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 1zot_1_A DATA FIRST_RESID 7 DATA SEQUENCE AGYANAADRE SGIPAAVLDG IKAVAKEKNA TLMFRLVNPH STSLIAEGVA DATA SEQUENCE TKGLGVHAKS SDWGLQAGYI PVNPNLSKLF GRAPEVIARA DNDVNSSLAH DATA SEQUENCE GHTAVDLTLS KERLDYLRQA GLVTGMADGV VASNHAGYEQ FEFRVKETSD DATA SEQUENCE GRYAVQYRRK GGDDFEAVKV IGNAAGIPLT ADIDMFAIMP HLSNFRDSAR DATA SEQUENCE SSVTSGDSVT DYLARTRRAX XXXXXXLDRE RIDLLWKIAR AGARSAVGTE DATA SEQUENCE ARRQFRYDGD MNIGVITDFE LEVRNALNRR AHAVGAQDVV QHGTEQNNPF DATA SEQUENCE PEADEKIFVV SATGESQMLT RGQLKEYIGQ QRGEGYVFYE NRAYGVAGKS DATA SEQUENCE LFDDGLGA 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 7 A HA 0.000 nan 4.320 nan 0.000 0.244 7 A C 0.000 177.557 177.584 -0.045 0.000 1.274 7 A CA 0.000 52.025 52.037 -0.021 0.000 0.836 7 A CB 0.000 19.001 19.000 0.002 0.000 0.831 8 G N -0.782 107.976 108.800 -0.070 0.000 2.715 8 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.221 8 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.221 8 G C -0.231 174.640 174.900 -0.048 0.000 1.204 8 G CA -0.166 44.825 45.100 -0.182 0.000 1.063 8 G HN 0.853 nan 8.290 nan 0.000 0.586 9 Y N 1.682 121.965 120.300 -0.028 0.000 2.304 9 Y HA 0.456 5.005 4.550 -0.000 0.000 0.328 9 Y C 1.367 177.259 175.900 -0.013 0.000 1.123 9 Y CA -0.182 57.901 58.100 -0.028 0.000 1.218 9 Y CB 1.732 40.166 38.460 -0.043 0.000 1.207 9 Y HN 0.779 nan 8.280 nan 0.000 0.495 10 A N 2.979 125.894 122.820 0.159 0.000 2.382 10 A HA 0.158 4.478 4.320 -0.000 0.000 0.228 10 A C -0.132 177.485 177.584 0.056 0.000 1.217 10 A CA 0.228 52.318 52.037 0.088 0.000 0.923 10 A CB -0.122 18.920 19.000 0.069 0.000 0.979 10 A HN 0.868 nan 8.150 nan 0.000 0.515 11 N N -3.013 115.712 118.700 0.041 0.000 3.449 11 N HA 0.496 5.236 4.740 -0.000 0.000 0.312 11 N C 0.653 176.131 175.510 -0.053 0.000 1.582 11 N CA 0.071 53.122 53.050 0.001 0.000 0.850 11 N CB 0.161 38.655 38.487 0.012 0.000 1.822 11 N HN -0.005 nan 8.380 nan 0.000 0.577 12 A N -0.199 122.586 122.820 -0.058 0.000 1.872 12 A HA 0.274 4.594 4.320 -0.000 0.000 0.214 12 A C 2.124 179.631 177.584 -0.129 0.000 1.187 12 A CA 2.372 54.350 52.037 -0.099 0.000 0.614 12 A CB -1.581 17.376 19.000 -0.071 0.000 0.826 12 A HN 0.893 nan 8.150 nan 0.000 0.442 13 A N 0.727 123.518 122.820 -0.050 0.000 1.869 13 A HA -0.316 4.003 4.320 -0.000 0.000 0.218 13 A C 1.759 179.250 177.584 -0.155 0.000 1.203 13 A CA 2.255 54.303 52.037 0.019 0.000 0.638 13 A CB -0.951 18.169 19.000 0.201 0.000 0.831 13 A HN 0.496 nan 8.150 nan 0.000 0.450 14 D N -0.619 119.712 120.400 -0.114 0.000 2.133 14 D HA -0.165 4.474 4.640 -0.000 0.000 0.195 14 D C 2.133 178.011 176.300 -0.703 0.000 0.997 14 D CA 1.562 55.354 54.000 -0.346 0.000 0.840 14 D CB -0.435 40.339 40.800 -0.044 0.000 0.947 14 D HN 0.548 nan 8.370 nan 0.000 0.452 15 R N 0.496 120.574 120.500 -0.704 0.000 2.115 15 R HA -0.032 4.308 4.340 -0.000 0.000 0.230 15 R C 1.897 177.898 176.300 -0.499 0.000 1.111 15 R CA 0.798 56.413 56.100 -0.809 0.000 0.976 15 R CB -0.091 29.883 30.300 -0.543 0.000 0.870 15 R HN 0.344 nan 8.270 nan 0.000 0.445 16 E N 0.300 120.270 120.200 -0.384 0.000 2.478 16 E HA -0.049 4.301 4.350 -0.000 0.000 0.194 16 E C 1.726 178.124 176.600 -0.337 0.000 1.045 16 E CA 0.708 56.936 56.400 -0.285 0.000 0.868 16 E CB 0.315 29.900 29.700 -0.192 0.000 0.885 16 E HN 0.272 nan 8.360 nan 0.000 0.505 17 S N -0.050 115.328 115.700 -0.537 0.000 2.423 17 S HA -0.040 4.430 4.470 -0.000 0.000 0.231 17 S C 1.915 176.272 174.600 -0.405 0.000 1.014 17 S CA 0.891 58.693 58.200 -0.664 0.000 0.965 17 S CB -0.208 62.167 63.200 -1.374 0.000 0.785 17 S HN 0.378 nan 8.310 nan 0.000 0.495 18 G N 0.806 109.407 108.800 -0.332 0.000 2.179 18 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.260 18 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.260 18 G C 0.079 174.875 174.900 -0.172 0.000 0.977 18 G CA 0.257 45.230 45.100 -0.211 0.000 0.641 18 G HN 0.612 nan 8.290 nan 0.000 0.533 19 I N 2.545 122.983 120.570 -0.220 0.000 2.416 19 I HA 0.250 4.420 4.170 -0.000 0.000 0.288 19 I C -1.700 174.407 176.117 -0.017 0.000 1.051 19 I CA -2.076 59.134 61.300 -0.151 0.000 1.375 19 I CB 1.085 38.939 38.000 -0.242 0.000 1.407 19 I HN -0.110 nan 8.210 nan 0.000 0.516 20 P HA -0.027 nan 4.420 nan 0.000 0.266 20 P C 0.261 177.511 177.300 -0.084 0.000 1.195 20 P CA 0.078 63.161 63.100 -0.030 0.000 0.768 20 P CB 0.824 32.480 31.700 -0.073 0.000 0.838 21 A N 3.880 126.521 122.820 -0.298 0.000 1.883 21 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 21 A C 2.143 179.556 177.584 -0.286 0.000 1.186 21 A CA 2.290 53.974 52.037 -0.588 0.000 0.624 21 A CB -1.692 16.671 19.000 -1.062 0.000 0.822 21 A HN 0.554 nan 8.150 nan 0.000 0.444 22 A N -0.669 122.026 122.820 -0.208 0.000 1.883 22 A HA -0.051 4.268 4.320 -0.000 0.000 0.217 22 A C 2.259 179.787 177.584 -0.093 0.000 1.186 22 A CA 1.938 53.898 52.037 -0.129 0.000 0.624 22 A CB -1.073 17.867 19.000 -0.100 0.000 0.822 22 A HN 0.435 nan 8.150 nan 0.000 0.444 23 V N 0.163 120.023 119.914 -0.089 0.000 2.343 23 V HA -0.218 3.901 4.120 -0.000 0.000 0.247 23 V C 2.474 178.534 176.094 -0.056 0.000 1.051 23 V CA 1.780 64.039 62.300 -0.069 0.000 1.036 23 V CB -0.664 31.116 31.823 -0.072 0.000 0.654 23 V HN 0.621 nan 8.190 nan 0.000 0.451 24 L N 0.078 121.263 121.223 -0.063 0.000 2.131 24 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 24 L C 2.213 179.079 176.870 -0.007 0.000 1.092 24 L CA 2.098 56.920 54.840 -0.031 0.000 0.759 24 L CB -1.217 40.851 42.059 0.016 0.000 0.903 24 L HN 0.379 nan 8.230 nan 0.000 0.435 25 D N -0.113 120.266 120.400 -0.034 0.000 2.123 25 D HA -0.144 4.496 4.640 -0.000 0.000 0.196 25 D C 2.060 178.359 176.300 -0.002 0.000 0.992 25 D CA 1.481 55.468 54.000 -0.021 0.000 0.833 25 D CB -0.196 40.576 40.800 -0.046 0.000 0.954 25 D HN 0.466 nan 8.370 nan 0.000 0.455 26 G N 0.584 109.380 108.800 -0.007 0.000 2.408 26 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.217 26 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.217 26 G C 1.841 176.761 174.900 0.034 0.000 1.150 26 G CA 0.160 45.264 45.100 0.007 0.000 0.776 26 G HN 0.254 nan 8.290 nan 0.000 0.542 27 I N 0.324 120.921 120.570 0.045 0.000 2.127 27 I HA -0.195 3.975 4.170 -0.000 0.000 0.241 27 I C 2.843 179.022 176.117 0.103 0.000 1.075 27 I CA 1.368 62.727 61.300 0.100 0.000 1.334 27 I CB -0.165 37.879 38.000 0.074 0.000 1.040 27 I HN 0.122 nan 8.210 nan 0.000 0.405 28 K N 0.626 121.070 120.400 0.073 0.000 2.097 28 K HA -0.155 4.164 4.320 -0.000 0.000 0.206 28 K C 2.202 178.837 176.600 0.058 0.000 1.049 28 K CA 1.501 57.828 56.287 0.066 0.000 0.933 28 K CB -0.216 32.316 32.500 0.053 0.000 0.717 28 K HN 0.333 nan 8.250 nan 0.000 0.442 29 A N 0.801 123.649 122.820 0.047 0.000 1.929 29 A HA -0.087 4.232 4.320 -0.000 0.000 0.216 29 A C 2.327 179.941 177.584 0.049 0.000 1.176 29 A CA 1.119 53.180 52.037 0.040 0.000 0.628 29 A CB -0.472 18.543 19.000 0.026 0.000 0.816 29 A HN 0.057 nan 8.150 nan 0.000 0.444 30 V N -0.062 119.886 119.914 0.056 0.000 2.307 30 V HA -0.235 3.885 4.120 -0.000 0.000 0.245 30 V C 3.066 179.211 176.094 0.084 0.000 1.045 30 V CA 1.874 64.209 62.300 0.059 0.000 1.024 30 V CB -1.167 30.690 31.823 0.057 0.000 0.651 30 V HN 0.598 nan 8.190 nan 0.000 0.449 31 A N -0.858 122.027 122.820 0.108 0.000 1.986 31 A HA -0.276 4.044 4.320 -0.000 0.000 0.220 31 A C 2.317 179.974 177.584 0.121 0.000 1.171 31 A CA 2.129 54.245 52.037 0.131 0.000 0.640 31 A CB -0.403 18.673 19.000 0.127 0.000 0.811 31 A HN 0.541 nan 8.150 nan 0.000 0.451 32 K N -0.940 119.514 120.400 0.091 0.000 2.098 32 K HA -0.033 4.287 4.320 -0.000 0.000 0.203 32 K C 1.950 178.597 176.600 0.078 0.000 1.051 32 K CA 1.070 57.404 56.287 0.080 0.000 0.957 32 K CB -0.056 32.478 32.500 0.056 0.000 0.738 32 K HN 0.603 nan 8.250 nan 0.000 0.447 33 E N 0.736 120.977 120.200 0.068 0.000 2.077 33 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 33 E C 1.172 177.817 176.600 0.076 0.000 0.989 33 E CA 1.203 57.636 56.400 0.056 0.000 0.800 33 E CB 0.160 29.882 29.700 0.038 0.000 0.746 33 E HN 0.140 nan 8.360 nan 0.000 0.452 34 K N 0.485 120.952 120.400 0.110 0.000 2.387 34 K HA 0.080 4.400 4.320 -0.000 0.000 0.198 34 K C -0.258 176.509 176.600 0.279 0.000 1.022 34 K CA -0.127 56.270 56.287 0.182 0.000 1.128 34 K CB -0.065 32.522 32.500 0.145 0.000 0.853 34 K HN 0.131 nan 8.250 nan 0.000 0.523 35 N N 1.217 120.042 118.700 0.209 0.000 2.650 35 N HA -0.250 4.490 4.740 -0.000 0.000 0.272 35 N C -1.455 174.290 175.510 0.391 0.000 1.058 35 N CA 0.031 53.226 53.050 0.242 0.000 0.765 35 N CB -0.352 38.221 38.487 0.142 0.000 0.902 35 N HN 0.326 nan 8.380 nan 0.000 0.551 36 A N 1.368 124.407 122.820 0.364 0.000 2.488 36 A HA 0.509 4.829 4.320 -0.000 0.000 0.298 36 A C -0.128 177.586 177.584 0.217 0.000 1.044 36 A CA -0.473 51.795 52.037 0.384 0.000 0.693 36 A CB 1.693 20.990 19.000 0.494 0.000 1.272 36 A HN 0.222 nan 8.150 nan 0.000 0.402 37 T N 2.762 117.387 114.554 0.119 0.000 2.832 37 T HA 0.510 4.859 4.350 -0.000 0.000 0.296 37 T C -0.216 174.555 174.700 0.118 0.000 0.968 37 T CA 0.351 62.479 62.100 0.047 0.000 1.107 37 T CB -0.247 68.601 68.868 -0.034 0.000 0.916 37 T HN 0.406 nan 8.240 nan 0.000 0.517 38 L N 4.507 125.795 121.223 0.109 0.000 2.333 38 L HA 0.597 4.937 4.340 -0.000 0.000 0.280 38 L C -0.238 176.675 176.870 0.072 0.000 1.004 38 L CA -0.665 54.218 54.840 0.071 0.000 0.820 38 L CB 1.450 43.611 42.059 0.169 0.000 1.247 38 L HN 0.445 nan 8.230 nan 0.000 0.416 39 M N 3.314 122.882 119.600 -0.054 0.000 2.393 39 M HA 0.610 5.090 4.480 -0.000 0.000 0.316 39 M C -1.322 174.987 176.300 0.014 0.000 1.087 39 M CA -0.295 55.064 55.300 0.097 0.000 0.937 39 M CB 2.259 34.969 32.600 0.183 0.000 1.668 39 M HN 0.254 nan 8.290 nan 0.000 0.438 40 F N 0.360 120.405 119.950 0.158 0.000 2.577 40 F HA 0.640 5.166 4.527 -0.000 0.000 0.318 40 F C 0.065 175.970 175.800 0.176 0.000 1.065 40 F CA -1.008 57.118 58.000 0.209 0.000 0.929 40 F CB 1.437 40.584 39.000 0.245 0.000 1.237 40 F HN 0.402 nan 8.300 nan 0.000 0.468 41 R N 1.071 121.786 120.500 0.358 0.000 2.500 41 R HA 0.543 4.883 4.340 -0.000 0.000 0.275 41 R C -0.651 175.753 176.300 0.173 0.000 1.051 41 R CA -0.952 55.280 56.100 0.219 0.000 1.088 41 R CB 0.891 31.315 30.300 0.207 0.000 1.063 41 R HN 0.536 nan 8.270 nan 0.000 0.511 42 L N 1.947 123.220 121.223 0.083 0.000 2.514 42 L HA 0.029 4.369 4.340 -0.000 0.000 0.280 42 L C -0.010 176.857 176.870 -0.004 0.000 1.223 42 L CA 0.066 54.911 54.840 0.008 0.000 0.864 42 L CB 0.239 42.280 42.059 -0.030 0.000 1.118 42 L HN 0.278 nan 8.230 nan 0.000 0.494 43 V N 2.958 122.837 119.914 -0.059 0.000 2.439 43 V HA 0.118 4.238 4.120 -0.000 0.000 0.282 43 V C 0.568 176.607 176.094 -0.092 0.000 1.039 43 V CA -0.766 61.497 62.300 -0.062 0.000 0.913 43 V CB 1.374 33.145 31.823 -0.087 0.000 0.983 43 V HN 0.705 nan 8.190 nan 0.000 0.460 44 N N 7.191 125.841 118.700 -0.084 0.000 2.447 44 N HA 0.060 4.800 4.740 -0.000 0.000 0.263 44 N C -1.192 174.228 175.510 -0.150 0.000 1.226 44 N CA -1.165 51.812 53.050 -0.121 0.000 0.906 44 N CB 1.730 40.161 38.487 -0.093 0.000 1.060 44 N HN 0.381 nan 8.380 nan 0.000 0.468 45 P HA -0.180 nan 4.420 nan 0.000 0.217 45 P C 0.631 177.875 177.300 -0.094 0.000 1.148 45 P CA 1.496 64.514 63.100 -0.137 0.000 0.828 45 P CB 0.017 31.646 31.700 -0.120 0.000 0.783 46 H N -0.615 118.431 119.070 -0.039 0.000 2.518 46 H HA 0.051 4.607 4.556 -0.000 0.000 0.289 46 H C 1.985 177.152 175.328 -0.267 0.000 1.051 46 H CA 0.912 56.892 56.048 -0.114 0.000 1.280 46 H CB -0.712 29.011 29.762 -0.064 0.000 1.380 46 H HN 0.207 nan 8.280 nan 0.000 0.566 47 S N -0.359 115.272 115.700 -0.115 0.000 2.470 47 S HA -0.050 4.419 4.470 -0.000 0.000 0.222 47 S C 2.081 176.561 174.600 -0.200 0.000 1.024 47 S CA 0.623 58.717 58.200 -0.178 0.000 0.931 47 S CB 0.125 63.244 63.200 -0.134 0.000 0.791 47 S HN 0.464 nan 8.310 nan 0.000 0.513 48 T N 1.300 115.744 114.554 -0.182 0.000 2.721 48 T HA -0.138 4.211 4.350 -0.000 0.000 0.268 48 T C 1.940 176.529 174.700 -0.186 0.000 1.038 48 T CA 1.744 63.747 62.100 -0.160 0.000 1.145 48 T CB -0.360 68.436 68.868 -0.121 0.000 0.858 48 T HN 0.309 nan 8.240 nan 0.000 0.459 49 S N -0.000 115.522 115.700 -0.296 0.000 2.425 49 S HA 0.196 4.666 4.470 -0.000 0.000 0.225 49 S C 1.917 176.391 174.600 -0.211 0.000 1.024 49 S CA 0.140 58.179 58.200 -0.268 0.000 0.951 49 S CB -0.299 62.659 63.200 -0.403 0.000 0.796 49 S HN 0.387 nan 8.310 nan 0.000 0.498 50 L N 0.952 122.024 121.223 -0.251 0.000 2.017 50 L HA -0.066 4.274 4.340 -0.000 0.000 0.208 50 L C 2.192 178.979 176.870 -0.138 0.000 1.073 50 L CA 1.223 55.938 54.840 -0.209 0.000 0.745 50 L CB -0.614 41.242 42.059 -0.339 0.000 0.894 50 L HN 0.302 nan 8.230 nan 0.000 0.432 51 I N 0.186 120.670 120.570 -0.142 0.000 2.248 51 I HA -0.319 3.850 4.170 -0.000 0.000 0.248 51 I C 2.685 178.756 176.117 -0.076 0.000 1.107 51 I CA 1.301 62.542 61.300 -0.099 0.000 1.373 51 I CB -0.336 37.604 38.000 -0.099 0.000 1.055 51 I HN 0.252 nan 8.210 nan 0.000 0.418 52 A N 0.727 123.497 122.820 -0.084 0.000 1.975 52 A HA -0.138 4.181 4.320 -0.000 0.000 0.215 52 A C 1.977 179.533 177.584 -0.046 0.000 1.170 52 A CA 0.984 52.981 52.037 -0.066 0.000 0.656 52 A CB -0.436 18.520 19.000 -0.073 0.000 0.821 52 A HN 0.609 nan 8.150 nan 0.000 0.449 53 E N -0.770 119.403 120.200 -0.044 0.000 2.463 53 E HA 0.333 4.683 4.350 -0.000 0.000 0.191 53 E C 0.832 177.428 176.600 -0.007 0.000 1.083 53 E CA 0.343 56.730 56.400 -0.021 0.000 0.872 53 E CB -0.516 29.176 29.700 -0.014 0.000 0.966 53 E HN 0.721 nan 8.360 nan 0.000 0.491 54 G N 0.668 109.461 108.800 -0.012 0.000 2.132 54 G HA2 -0.263 3.696 3.960 -0.000 0.000 0.228 54 G HA3 -0.263 3.696 3.960 -0.000 0.000 0.228 54 G C 0.260 175.169 174.900 0.014 0.000 1.000 54 G CA 0.096 45.200 45.100 0.007 0.000 0.693 54 G HN 0.220 nan 8.290 nan 0.000 0.515 55 V N 0.488 120.401 119.914 -0.002 0.000 3.096 55 V HA 0.555 4.675 4.120 -0.000 0.000 0.306 55 V C 1.310 177.408 176.094 0.008 0.000 1.088 55 V CA 0.285 62.594 62.300 0.014 0.000 1.129 55 V CB 1.354 33.162 31.823 -0.024 0.000 1.014 55 V HN 1.200 nan 8.190 nan 0.000 0.486 56 A N 2.925 125.760 122.820 0.027 0.000 2.322 56 A HA 0.583 4.902 4.320 -0.000 0.000 0.269 56 A C 0.236 177.818 177.584 -0.003 0.000 1.094 56 A CA -0.189 51.862 52.037 0.024 0.000 0.807 56 A CB 0.414 19.439 19.000 0.042 0.000 1.047 56 A HN 0.778 nan 8.150 nan 0.000 0.487 57 T N 1.336 115.888 114.554 -0.002 0.000 2.867 57 T HA 0.467 4.817 4.350 -0.000 0.000 0.282 57 T C 0.045 174.737 174.700 -0.014 0.000 1.000 57 T CA -0.485 61.602 62.100 -0.021 0.000 1.042 57 T CB 0.696 69.550 68.868 -0.024 0.000 0.973 57 T HN 0.710 nan 8.240 nan 0.000 0.465 58 K N 1.565 121.946 120.400 -0.032 0.000 2.174 58 K HA 0.699 5.019 4.320 -0.000 0.000 0.275 58 K C 0.548 177.154 176.600 0.011 0.000 1.015 58 K CA -0.855 55.407 56.287 -0.041 0.000 0.933 58 K CB 0.967 33.415 32.500 -0.086 0.000 1.025 58 K HN 0.538 nan 8.250 nan 0.000 0.463 59 G N 1.435 110.262 108.800 0.044 0.000 2.532 59 G HA2 0.236 4.196 3.960 -0.000 0.000 0.291 59 G HA3 0.236 4.196 3.960 -0.000 0.000 0.291 59 G C 0.434 175.387 174.900 0.088 0.000 1.349 59 G CA -1.191 43.974 45.100 0.108 0.000 1.038 59 G HN 0.624 nan 8.290 nan 0.000 0.518 60 L N 0.287 121.567 121.223 0.095 0.000 2.551 60 L HA 0.123 4.463 4.340 -0.000 0.000 0.228 60 L C 2.462 179.378 176.870 0.078 0.000 1.153 60 L CA 0.645 55.490 54.840 0.009 0.000 0.851 60 L CB -0.190 41.868 42.059 -0.001 0.000 0.959 60 L HN 0.589 nan 8.230 nan 0.000 0.451 61 G N -0.000 108.893 108.800 0.156 0.000 3.210 61 G HA2 0.230 4.190 3.960 -0.000 0.000 0.220 61 G HA3 0.230 4.190 3.960 -0.000 0.000 0.220 61 G C 0.240 175.323 174.900 0.305 0.000 1.200 61 G CA 0.068 45.314 45.100 0.242 0.000 0.834 61 G HN 0.130 nan 8.290 nan 0.000 0.524 62 V N 0.328 120.326 119.914 0.141 0.000 2.419 62 V HA 0.295 4.415 4.120 -0.000 0.000 0.287 62 V C -0.353 175.691 176.094 -0.083 0.000 1.017 62 V CA -0.700 61.626 62.300 0.043 0.000 0.844 62 V CB 1.198 32.941 31.823 -0.133 0.000 1.011 62 V HN 0.371 nan 8.190 nan 0.000 0.429 63 H N 2.087 121.144 119.070 -0.022 0.000 2.652 63 H HA 0.559 5.115 4.556 -0.000 0.000 0.274 63 H C 1.243 176.550 175.328 -0.035 0.000 1.021 63 H CA 0.570 56.593 56.048 -0.043 0.000 1.187 63 H CB 0.688 30.415 29.762 -0.059 0.000 1.505 63 H HN 0.741 nan 8.280 nan 0.000 0.530 64 A N 1.123 123.974 122.820 0.052 0.000 2.466 64 A HA 0.160 4.480 4.320 -0.000 0.000 0.238 64 A C 0.248 177.833 177.584 0.002 0.000 1.074 64 A CA -0.078 51.976 52.037 0.028 0.000 0.774 64 A CB 0.370 19.378 19.000 0.014 0.000 1.015 64 A HN 0.283 nan 8.150 nan 0.000 0.498 65 K N 1.168 121.574 120.400 0.010 0.000 2.130 65 K HA 0.384 4.704 4.320 -0.000 0.000 0.268 65 K C 0.538 177.131 176.600 -0.012 0.000 0.983 65 K CA -0.177 56.112 56.287 0.004 0.000 0.893 65 K CB 1.458 33.975 32.500 0.029 0.000 1.066 65 K HN 0.890 nan 8.250 nan 0.000 0.450 66 S N 0.619 116.307 115.700 -0.021 0.000 2.617 66 S HA 0.104 4.574 4.470 -0.000 0.000 0.255 66 S C 0.288 174.851 174.600 -0.061 0.000 1.318 66 S CA -0.664 57.509 58.200 -0.045 0.000 0.978 66 S CB 1.197 64.371 63.200 -0.043 0.000 0.961 66 S HN 0.461 nan 8.310 nan 0.000 0.582 67 S N -0.180 115.442 115.700 -0.131 0.000 2.501 67 S HA 0.463 4.933 4.470 -0.000 0.000 0.301 67 S C -0.475 173.999 174.600 -0.211 0.000 1.096 67 S CA -0.576 57.471 58.200 -0.256 0.000 1.063 67 S CB 0.943 63.854 63.200 -0.482 0.000 1.042 67 S HN 0.814 nan 8.310 nan 0.000 0.494 68 D N 2.068 122.374 120.400 -0.157 0.000 2.469 68 D HA 0.170 4.810 4.640 -0.000 0.000 0.215 68 D C 0.330 176.575 176.300 -0.091 0.000 1.154 68 D CA -0.312 53.680 54.000 -0.014 0.000 0.832 68 D CB -0.032 40.890 40.800 0.203 0.000 1.008 68 D HN 0.580 nan 8.370 nan 0.000 0.506 69 W N -0.140 120.952 121.300 -0.347 0.000 3.060 69 W HA 0.579 5.238 4.660 -0.000 0.000 0.346 69 W C 0.354 176.632 176.519 -0.401 0.000 1.194 69 W CA -0.795 56.272 57.345 -0.463 0.000 1.105 69 W CB 0.252 29.116 29.460 -0.993 0.000 1.487 69 W HN 0.159 nan 8.180 nan 0.000 0.592 70 G N 0.546 109.362 108.800 0.027 0.000 2.740 70 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.250 70 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.250 70 G C -0.037 174.677 174.900 -0.310 0.000 1.358 70 G CA 0.435 45.432 45.100 -0.170 0.000 0.897 70 G HN 0.710 nan 8.290 nan 0.000 0.567 71 L N 0.913 121.949 121.223 -0.312 0.000 2.456 71 L HA 0.048 4.388 4.340 -0.000 0.000 0.224 71 L C 2.841 179.600 176.870 -0.186 0.000 1.148 71 L CA 2.188 56.914 54.840 -0.188 0.000 0.825 71 L CB -0.251 41.742 42.059 -0.111 0.000 0.937 71 L HN 0.749 nan 8.230 nan 0.000 0.450 72 Q N 0.201 119.803 119.800 -0.330 0.000 2.320 72 Q HA 0.217 4.557 4.340 -0.000 0.000 0.201 72 Q C 0.665 176.549 176.000 -0.194 0.000 0.910 72 Q CA 0.210 55.867 55.803 -0.243 0.000 0.946 72 Q CB 0.001 28.495 28.738 -0.408 0.000 1.062 72 Q HN 0.308 nan 8.270 nan 0.000 0.503 73 A N 0.652 123.292 122.820 -0.300 0.000 2.546 73 A HA 0.437 4.757 4.320 -0.000 0.000 0.243 73 A C 1.283 178.711 177.584 -0.260 0.000 1.063 73 A CA 0.893 52.720 52.037 -0.350 0.000 0.757 73 A CB -0.411 18.265 19.000 -0.539 0.000 0.991 73 A HN 0.806 nan 8.150 nan 0.000 0.503 74 G N 0.966 109.629 108.800 -0.228 0.000 2.232 74 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.226 74 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.226 74 G C 0.110 174.767 174.900 -0.405 0.000 0.996 74 G CA 0.443 45.368 45.100 -0.293 0.000 0.626 74 G HN 0.792 nan 8.290 nan 0.000 0.509 75 Y N -0.106 120.101 120.300 -0.155 0.000 2.545 75 Y HA 0.745 5.295 4.550 -0.000 0.000 0.324 75 Y C 0.953 176.765 175.900 -0.147 0.000 1.220 75 Y CA -0.979 57.035 58.100 -0.142 0.000 1.290 75 Y CB 1.058 39.428 38.460 -0.151 0.000 1.355 75 Y HN 0.051 nan 8.280 nan 0.000 0.516 76 I N 4.269 124.878 120.570 0.065 0.000 2.371 76 I HA 0.260 4.430 4.170 -0.000 0.000 0.282 76 I C -2.491 173.607 176.117 -0.032 0.000 1.031 76 I CA -2.217 59.073 61.300 -0.015 0.000 1.180 76 I CB 1.097 39.079 38.000 -0.030 0.000 1.336 76 I HN 0.200 nan 8.210 nan 0.000 0.467 77 P HA 0.068 nan 4.420 nan 0.000 0.275 77 P C 0.819 178.090 177.300 -0.050 0.000 1.227 77 P CA -0.135 62.906 63.100 -0.099 0.000 0.781 77 P CB 2.131 33.728 31.700 -0.172 0.000 0.906 78 V N 1.546 121.437 119.914 -0.038 0.000 2.667 78 V HA -0.082 4.037 4.120 -0.000 0.000 0.252 78 V C 1.402 177.511 176.094 0.024 0.000 1.065 78 V CA 1.368 63.670 62.300 0.004 0.000 1.083 78 V CB -1.078 30.756 31.823 0.018 0.000 0.692 78 V HN 0.649 nan 8.190 nan 0.000 0.468 79 N N 0.833 119.539 118.700 0.010 0.000 2.521 79 N HA 0.163 4.902 4.740 -0.000 0.000 0.236 79 N C -1.990 173.552 175.510 0.052 0.000 1.067 79 N CA -1.923 51.163 53.050 0.059 0.000 0.939 79 N CB 1.703 40.236 38.487 0.077 0.000 1.201 79 N HN 0.112 nan 8.380 nan 0.000 0.511 80 P HA -0.063 nan 4.420 nan 0.000 0.222 80 P C 0.596 178.001 177.300 0.174 0.000 1.142 80 P CA 0.866 64.025 63.100 0.099 0.000 0.788 80 P CB 0.369 32.126 31.700 0.095 0.000 0.767 81 N N -1.053 117.785 118.700 0.230 0.000 2.494 81 N HA 0.022 4.762 4.740 -0.000 0.000 0.182 81 N C 1.312 177.098 175.510 0.459 0.000 1.076 81 N CA 0.716 54.009 53.050 0.406 0.000 0.908 81 N CB -0.200 38.618 38.487 0.553 0.000 0.967 81 N HN 0.283 nan 8.380 nan 0.000 0.449 82 L N 0.205 121.503 121.223 0.124 0.000 2.567 82 L HA 0.113 4.453 4.340 -0.000 0.000 0.225 82 L C 1.093 177.818 176.870 -0.240 0.000 1.119 82 L CA 0.023 54.780 54.840 -0.138 0.000 0.871 82 L CB -0.112 41.695 42.059 -0.419 0.000 1.036 82 L HN 0.045 nan 8.230 nan 0.000 0.459 83 S N -0.516 115.196 115.700 0.020 0.000 2.713 83 S HA 0.160 4.630 4.470 -0.000 0.000 0.277 83 S C 1.158 175.900 174.600 0.237 0.000 1.168 83 S CA -0.763 57.429 58.200 -0.013 0.000 0.994 83 S CB 1.049 64.263 63.200 0.023 0.000 1.054 83 S HN 0.259 nan 8.310 nan 0.000 0.555 84 K N -0.133 120.373 120.400 0.176 0.000 2.366 84 K HA -0.091 4.229 4.320 -0.000 0.000 0.202 84 K C 1.125 177.928 176.600 0.339 0.000 1.045 84 K CA 1.302 57.769 56.287 0.299 0.000 0.934 84 K CB -0.925 31.685 32.500 0.183 0.000 0.746 84 K HN 0.543 nan 8.250 nan 0.000 0.470 85 L N 1.410 122.807 121.223 0.290 0.000 2.672 85 L HA 0.058 4.397 4.340 -0.000 0.000 0.236 85 L C 1.378 178.435 176.870 0.312 0.000 1.186 85 L CA -0.533 54.457 54.840 0.250 0.000 0.977 85 L CB -0.463 41.694 42.059 0.163 0.000 1.203 85 L HN 0.067 nan 8.230 nan 0.000 0.448 86 F N 2.008 122.125 119.950 0.279 0.000 2.153 86 F HA -0.302 4.224 4.527 -0.000 0.000 0.300 86 F C 2.012 177.919 175.800 0.180 0.000 1.214 86 F CA 2.022 60.180 58.000 0.264 0.000 1.248 86 F CB -0.683 38.440 39.000 0.205 0.000 0.924 86 F HN 0.084 nan 8.300 nan 0.000 0.553 87 G N 1.699 110.355 108.800 -0.239 0.000 3.474 87 G HA2 0.162 4.121 3.960 -0.000 0.000 0.269 87 G HA3 0.162 4.121 3.960 -0.000 0.000 0.269 87 G C 0.516 175.342 174.900 -0.123 0.000 1.339 87 G CA -0.469 44.409 45.100 -0.370 0.000 1.258 87 G HN 0.106 nan 8.290 nan 0.000 0.560 88 R N 0.264 120.740 120.500 -0.040 0.000 2.954 88 R HA 0.375 4.715 4.340 -0.000 0.000 0.276 88 R C 0.901 177.191 176.300 -0.016 0.000 1.218 88 R CA -0.054 56.047 56.100 0.001 0.000 1.149 88 R CB -0.312 30.013 30.300 0.042 0.000 1.112 88 R HN 0.172 nan 8.270 nan 0.000 0.577 89 A N 1.197 124.018 122.820 0.002 0.000 2.483 89 A HA 0.165 4.485 4.320 -0.000 0.000 0.238 89 A C -1.445 176.141 177.584 0.004 0.000 1.070 89 A CA -0.849 51.188 52.037 -0.001 0.000 0.770 89 A CB -0.232 18.772 19.000 0.007 0.000 1.008 89 A HN 0.358 nan 8.150 nan 0.000 0.497 90 P HA -0.149 nan 4.420 nan 0.000 0.220 90 P C 1.307 178.617 177.300 0.015 0.000 1.148 90 P CA 1.281 64.385 63.100 0.007 0.000 0.803 90 P CB 0.234 31.935 31.700 0.001 0.000 0.782 91 E N -0.175 120.033 120.200 0.013 0.000 2.418 91 E HA -0.077 4.272 4.350 -0.000 0.000 0.197 91 E C 1.393 178.006 176.600 0.021 0.000 1.026 91 E CA 0.803 57.213 56.400 0.016 0.000 0.862 91 E CB -0.262 29.445 29.700 0.013 0.000 0.799 91 E HN 0.088 nan 8.360 nan 0.000 0.518 92 V N 0.402 120.331 119.914 0.026 0.000 2.922 92 V HA -0.066 4.054 4.120 -0.000 0.000 0.242 92 V C 2.051 178.170 176.094 0.043 0.000 1.094 92 V CA 0.389 62.709 62.300 0.033 0.000 1.106 92 V CB -0.055 31.790 31.823 0.037 0.000 0.799 92 V HN 0.124 nan 8.190 nan 0.000 0.474 93 I N 1.032 121.629 120.570 0.046 0.000 2.530 93 I HA -0.190 3.980 4.170 -0.000 0.000 0.257 93 I C 2.408 178.556 176.117 0.051 0.000 1.179 93 I CA 1.650 62.986 61.300 0.060 0.000 1.440 93 I CB -0.702 37.339 38.000 0.068 0.000 1.087 93 I HN 0.265 nan 8.210 nan 0.000 0.440 94 A N 0.288 123.131 122.820 0.038 0.000 1.832 94 A HA -0.112 4.208 4.320 -0.000 0.000 0.214 94 A C 2.398 179.998 177.584 0.028 0.000 1.204 94 A CA 0.952 53.008 52.037 0.031 0.000 0.606 94 A CB -0.425 18.590 19.000 0.024 0.000 0.849 94 A HN 0.155 nan 8.150 nan 0.000 0.445 95 R N -0.107 120.407 120.500 0.024 0.000 2.140 95 R HA -0.220 4.120 4.340 -0.000 0.000 0.250 95 R C 2.283 178.597 176.300 0.024 0.000 1.150 95 R CA 1.664 57.776 56.100 0.019 0.000 0.966 95 R CB -1.219 29.092 30.300 0.019 0.000 0.869 95 R HN 0.566 nan 8.270 nan 0.000 0.445 96 A N 0.833 123.675 122.820 0.035 0.000 1.929 96 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 96 A C 1.890 179.499 177.584 0.042 0.000 1.176 96 A CA 1.302 53.364 52.037 0.043 0.000 0.628 96 A CB -0.279 18.755 19.000 0.057 0.000 0.816 96 A HN 0.163 nan 8.150 nan 0.000 0.444 97 D N 0.292 120.718 120.400 0.043 0.000 2.104 97 D HA -0.153 4.487 4.640 -0.000 0.000 0.194 97 D C 1.546 177.865 176.300 0.032 0.000 0.994 97 D CA 1.337 55.362 54.000 0.042 0.000 0.830 97 D CB -0.157 40.669 40.800 0.042 0.000 0.959 97 D HN 0.373 nan 8.370 nan 0.000 0.452 98 N N 1.053 119.766 118.700 0.023 0.000 2.062 98 N HA -0.135 4.605 4.740 -0.000 0.000 0.191 98 N C 1.430 176.943 175.510 0.006 0.000 1.042 98 N CA 0.930 53.986 53.050 0.010 0.000 0.845 98 N CB -0.743 37.745 38.487 0.001 0.000 1.024 98 N HN 0.172 nan 8.380 nan 0.000 0.424 99 D N 0.681 121.087 120.400 0.010 0.000 2.204 99 D HA -0.160 4.480 4.640 -0.000 0.000 0.189 99 D C 2.056 178.377 176.300 0.036 0.000 1.006 99 D CA 1.308 55.322 54.000 0.024 0.000 0.855 99 D CB -0.514 40.316 40.800 0.050 0.000 0.946 99 D HN 0.002 nan 8.370 nan 0.000 0.448 100 V N 1.014 120.951 119.914 0.038 0.000 2.282 100 V HA -0.271 3.849 4.120 -0.000 0.000 0.249 100 V C 2.054 178.174 176.094 0.044 0.000 1.057 100 V CA 1.853 64.178 62.300 0.042 0.000 1.032 100 V CB -0.538 31.308 31.823 0.039 0.000 0.645 100 V HN 0.268 nan 8.190 nan 0.000 0.447 101 N N 0.388 119.108 118.700 0.034 0.000 2.223 101 N HA -0.139 4.601 4.740 -0.000 0.000 0.185 101 N C 2.131 177.650 175.510 0.016 0.000 1.016 101 N CA 1.752 54.822 53.050 0.032 0.000 0.863 101 N CB -0.271 38.232 38.487 0.027 0.000 0.983 101 N HN 0.617 nan 8.380 nan 0.000 0.429 102 S N -0.373 115.316 115.700 -0.018 0.000 2.481 102 S HA -0.013 4.456 4.470 -0.000 0.000 0.231 102 S C 1.994 176.532 174.600 -0.103 0.000 0.996 102 S CA 1.142 59.281 58.200 -0.102 0.000 0.942 102 S CB -0.072 63.050 63.200 -0.131 0.000 0.768 102 S HN 0.200 nan 8.310 nan 0.000 0.520 103 S N 0.180 115.902 115.700 0.036 0.000 2.458 103 S HA 0.284 4.754 4.470 -0.000 0.000 0.223 103 S C 1.599 176.318 174.600 0.199 0.000 1.019 103 S CA 0.261 58.563 58.200 0.169 0.000 0.937 103 S CB -0.359 62.966 63.200 0.209 0.000 0.788 103 S HN 0.613 nan 8.310 nan 0.000 0.511 104 L N 0.895 122.200 121.223 0.136 0.000 2.418 104 L HA 0.250 4.590 4.340 -0.000 0.000 0.218 104 L C 2.564 179.512 176.870 0.129 0.000 1.125 104 L CA 0.778 55.697 54.840 0.132 0.000 0.835 104 L CB -0.346 41.770 42.059 0.095 0.000 0.953 104 L HN 0.358 nan 8.230 nan 0.000 0.454 105 A N -1.390 121.530 122.820 0.166 0.000 2.119 105 A HA -0.065 4.255 4.320 -0.000 0.000 0.216 105 A C 0.290 178.113 177.584 0.398 0.000 1.152 105 A CA 0.709 52.899 52.037 0.256 0.000 0.708 105 A CB -0.430 18.749 19.000 0.298 0.000 0.805 105 A HN 0.385 nan 8.150 nan 0.000 0.460 106 H N -1.498 117.554 119.070 -0.030 0.000 2.340 106 H HA 0.456 5.012 4.556 -0.000 0.000 0.233 106 H C 1.273 176.468 175.328 -0.221 0.000 1.435 106 H CA -0.438 55.553 56.048 -0.095 0.000 1.389 106 H CB 0.148 29.860 29.762 -0.084 0.000 1.491 106 H HN 0.361 nan 8.280 nan 0.000 0.518 107 G N 0.571 109.338 108.800 -0.055 0.000 2.507 107 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.240 107 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.240 107 G C 0.289 175.159 174.900 -0.050 0.000 1.119 107 G CA 0.123 45.165 45.100 -0.096 0.000 0.664 107 G HN 0.531 nan 8.290 nan 0.000 0.516 108 H N 2.466 121.589 119.070 0.088 0.000 2.764 108 H HA 0.476 5.032 4.556 -0.000 0.000 0.341 108 H C 1.101 176.462 175.328 0.055 0.000 1.072 108 H CA 0.983 57.071 56.048 0.066 0.000 1.444 108 H CB 0.625 30.425 29.762 0.064 0.000 1.458 108 H HN 0.619 nan 8.280 nan 0.000 0.572 109 T N -0.776 113.884 114.554 0.176 0.000 2.948 109 T HA 0.733 5.083 4.350 -0.000 0.000 0.285 109 T C 0.234 174.979 174.700 0.076 0.000 1.019 109 T CA -1.099 61.062 62.100 0.101 0.000 1.013 109 T CB 1.785 70.699 68.868 0.076 0.000 1.117 109 T HN 0.625 nan 8.240 nan 0.000 0.533 110 A N 0.920 123.772 122.820 0.053 0.000 2.292 110 A HA 0.730 5.050 4.320 -0.000 0.000 0.319 110 A C -0.619 176.977 177.584 0.020 0.000 1.206 110 A CA -0.689 51.369 52.037 0.034 0.000 0.835 110 A CB 0.575 19.597 19.000 0.037 0.000 1.164 110 A HN 0.818 nan 8.150 nan 0.000 0.505 111 V N 2.383 122.296 119.914 -0.001 0.000 2.932 111 V HA 0.238 4.358 4.120 -0.000 0.000 0.307 111 V C -1.216 174.852 176.094 -0.044 0.000 1.147 111 V CA -0.958 61.332 62.300 -0.017 0.000 0.951 111 V CB 2.335 34.147 31.823 -0.019 0.000 1.031 111 V HN 0.930 nan 8.190 nan 0.000 0.426 112 D N 3.590 123.969 120.400 -0.035 0.000 2.363 112 D HA 0.182 4.821 4.640 -0.000 0.000 0.263 112 D C 0.034 176.278 176.300 -0.093 0.000 1.258 112 D CA -0.054 53.922 54.000 -0.041 0.000 0.907 112 D CB 1.066 41.858 40.800 -0.014 0.000 1.107 112 D HN 0.332 nan 8.370 nan 0.000 0.495 113 L N 3.681 124.820 121.223 -0.140 0.000 2.513 113 L HA 0.184 4.524 4.340 -0.000 0.000 0.272 113 L C 0.187 176.958 176.870 -0.165 0.000 1.187 113 L CA 0.397 55.088 54.840 -0.248 0.000 0.895 113 L CB 0.144 42.011 42.059 -0.319 0.000 1.147 113 L HN 0.426 nan 8.230 nan 0.000 0.483 114 T N 4.497 118.945 114.554 -0.177 0.000 2.928 114 T HA 0.615 4.964 4.350 -0.000 0.000 0.296 114 T C -0.426 174.244 174.700 -0.051 0.000 1.000 114 T CA -0.820 61.241 62.100 -0.066 0.000 0.989 114 T CB 0.559 69.410 68.868 -0.028 0.000 1.005 114 T HN 0.566 nan 8.240 nan 0.000 0.442 115 L N 2.886 124.126 121.223 0.028 0.000 2.387 115 L HA 0.736 5.076 4.340 -0.000 0.000 0.266 115 L C 1.111 178.054 176.870 0.121 0.000 1.059 115 L CA -1.127 53.758 54.840 0.075 0.000 0.801 115 L CB 1.553 43.651 42.059 0.064 0.000 1.223 115 L HN 0.936 nan 8.230 nan 0.000 0.456 116 S N -0.325 115.441 115.700 0.110 0.000 2.707 116 S HA 0.344 4.813 4.470 -0.000 0.000 0.276 116 S C 0.783 175.462 174.600 0.131 0.000 1.179 116 S CA -0.759 57.510 58.200 0.114 0.000 0.992 116 S CB 1.464 64.709 63.200 0.076 0.000 1.030 116 S HN 0.489 nan 8.310 nan 0.000 0.554 117 K N 1.268 121.756 120.400 0.147 0.000 1.985 117 K HA -0.108 4.211 4.320 -0.000 0.000 0.210 117 K C 2.034 178.670 176.600 0.060 0.000 1.047 117 K CA 1.985 58.354 56.287 0.136 0.000 0.932 117 K CB -1.068 31.515 32.500 0.139 0.000 0.716 117 K HN 0.765 nan 8.250 nan 0.000 0.439 118 E N 0.514 120.750 120.200 0.060 0.000 2.108 118 E HA -0.251 4.098 4.350 -0.000 0.000 0.203 118 E C 2.069 178.708 176.600 0.065 0.000 1.022 118 E CA 1.996 58.426 56.400 0.051 0.000 0.823 118 E CB -0.230 29.495 29.700 0.041 0.000 0.744 118 E HN 0.271 nan 8.360 nan 0.000 0.456 119 R N 0.357 120.892 120.500 0.058 0.000 2.092 119 R HA -0.100 4.239 4.340 -0.000 0.000 0.231 119 R C 2.113 178.460 176.300 0.079 0.000 1.119 119 R CA 0.829 56.973 56.100 0.074 0.000 0.970 119 R CB -0.392 29.938 30.300 0.050 0.000 0.864 119 R HN 0.204 nan 8.270 nan 0.000 0.440 120 L N 1.263 122.490 121.223 0.006 0.000 2.079 120 L HA -0.156 4.183 4.340 -0.000 0.000 0.210 120 L C 0.991 177.833 176.870 -0.046 0.000 1.081 120 L CA 1.941 56.733 54.840 -0.078 0.000 0.752 120 L CB -0.688 41.226 42.059 -0.242 0.000 0.896 120 L HN 0.227 nan 8.230 nan 0.000 0.433 121 D N -1.606 118.791 120.400 -0.005 0.000 2.077 121 D HA -0.263 4.377 4.640 -0.000 0.000 0.196 121 D C 2.027 178.330 176.300 0.005 0.000 0.986 121 D CA 1.790 55.788 54.000 -0.003 0.000 0.829 121 D CB -0.549 40.263 40.800 0.021 0.000 0.983 121 D HN 0.479 nan 8.370 nan 0.000 0.453 122 Y N 1.250 121.528 120.300 -0.037 0.000 2.139 122 Y HA -0.247 4.303 4.550 -0.000 0.000 0.282 122 Y C 2.172 178.048 175.900 -0.039 0.000 1.179 122 Y CA 1.485 59.568 58.100 -0.030 0.000 1.161 122 Y CB -0.415 38.031 38.460 -0.024 0.000 0.970 122 Y HN -0.047 nan 8.280 nan 0.000 0.511 123 L N -0.177 121.075 121.223 0.047 0.000 2.046 123 L HA -0.228 4.111 4.340 -0.000 0.000 0.208 123 L C 2.657 179.438 176.870 -0.149 0.000 1.077 123 L CA 1.656 56.468 54.840 -0.047 0.000 0.747 123 L CB -0.385 41.673 42.059 -0.002 0.000 0.896 123 L HN 0.199 nan 8.230 nan 0.000 0.432 124 R N -0.720 119.707 120.500 -0.121 0.000 2.073 124 R HA -0.182 4.158 4.340 -0.000 0.000 0.229 124 R C 2.151 178.370 176.300 -0.135 0.000 1.120 124 R CA 1.209 57.239 56.100 -0.117 0.000 0.967 124 R CB -0.373 29.872 30.300 -0.092 0.000 0.862 124 R HN 0.423 nan 8.270 nan 0.000 0.436 125 Q N 0.719 120.424 119.800 -0.159 0.000 2.436 125 Q HA -0.029 4.310 4.340 -0.000 0.000 0.209 125 Q C 1.443 177.307 176.000 -0.225 0.000 0.965 125 Q CA 1.067 56.771 55.803 -0.165 0.000 0.910 125 Q CB 0.184 28.833 28.738 -0.148 0.000 0.980 125 Q HN 0.339 nan 8.270 nan 0.000 0.491 126 A N -0.488 122.142 122.820 -0.316 0.000 2.195 126 A HA 0.311 4.631 4.320 -0.000 0.000 0.210 126 A C 1.580 179.066 177.584 -0.163 0.000 1.165 126 A CA 0.820 52.671 52.037 -0.310 0.000 0.806 126 A CB -0.120 18.599 19.000 -0.469 0.000 0.847 126 A HN 0.591 nan 8.150 nan 0.000 0.482 127 G N -0.927 107.788 108.800 -0.142 0.000 2.176 127 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.253 127 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.253 127 G C 0.913 175.757 174.900 -0.094 0.000 0.979 127 G CA 0.534 45.574 45.100 -0.101 0.000 0.641 127 G HN 0.401 nan 8.290 nan 0.000 0.530 128 L N -0.731 120.429 121.223 -0.104 0.000 2.056 128 L HA 0.220 4.560 4.340 -0.000 0.000 0.207 128 L C 1.431 178.219 176.870 -0.137 0.000 1.078 128 L CA 1.186 55.968 54.840 -0.096 0.000 0.749 128 L CB -0.083 41.907 42.059 -0.116 0.000 0.901 128 L HN 0.215 nan 8.230 nan 0.000 0.433 129 V N 0.622 120.453 119.914 -0.139 0.000 2.350 129 V HA 0.171 4.291 4.120 -0.000 0.000 0.285 129 V C 0.111 176.128 176.094 -0.129 0.000 1.014 129 V CA -0.517 61.693 62.300 -0.150 0.000 0.831 129 V CB 1.539 33.296 31.823 -0.109 0.000 1.000 129 V HN 0.322 nan 8.190 nan 0.000 0.433 130 T N 3.544 118.010 114.554 -0.146 0.000 3.414 130 T HA 0.579 4.929 4.350 -0.000 0.000 0.304 130 T C 0.731 175.391 174.700 -0.066 0.000 1.241 130 T CA 0.348 62.386 62.100 -0.103 0.000 1.076 130 T CB -0.104 68.699 68.868 -0.108 0.000 1.134 130 T HN 1.732 nan 8.240 nan 0.000 0.759 131 G N 3.755 112.521 108.800 -0.056 0.000 2.914 131 G HA2 0.076 4.036 3.960 -0.000 0.000 0.254 131 G HA3 0.076 4.036 3.960 -0.000 0.000 0.254 131 G C -0.350 174.542 174.900 -0.013 0.000 1.449 131 G CA 0.150 45.230 45.100 -0.034 0.000 0.925 131 G HN 1.444 nan 8.290 nan 0.000 0.555 132 M N -2.109 117.492 119.600 0.003 0.000 2.880 132 M HA 0.764 5.243 4.480 -0.000 0.000 0.269 132 M C 0.818 177.138 176.300 0.032 0.000 1.248 132 M CA 0.005 55.322 55.300 0.029 0.000 0.821 132 M CB 0.608 33.223 32.600 0.024 0.000 1.650 132 M HN 1.963 nan 8.290 nan 0.000 0.479 133 A N 0.336 123.183 122.820 0.044 0.000 1.825 133 A HA -0.041 4.279 4.320 -0.000 0.000 0.214 133 A C 1.208 178.812 177.584 0.033 0.000 1.206 133 A CA 2.341 54.400 52.037 0.038 0.000 0.609 133 A CB -0.534 18.490 19.000 0.040 0.000 0.851 133 A HN 0.969 nan 8.150 nan 0.000 0.445 134 D N -2.734 117.690 120.400 0.039 0.000 2.636 134 D HA 0.281 4.921 4.640 -0.000 0.000 0.270 134 D C 0.337 176.676 176.300 0.065 0.000 1.430 134 D CA 0.860 54.887 54.000 0.045 0.000 0.796 134 D CB 0.283 41.108 40.800 0.042 0.000 1.117 134 D HN 0.648 nan 8.370 nan 0.000 0.480 135 G N 0.296 109.133 108.800 0.061 0.000 3.829 135 G HA2 0.126 4.086 3.960 -0.000 0.000 0.226 135 G HA3 0.126 4.086 3.960 -0.000 0.000 0.226 135 G C -0.618 174.315 174.900 0.055 0.000 1.243 135 G CA -0.135 45.011 45.100 0.077 0.000 1.211 135 G HN 0.122 nan 8.290 nan 0.000 0.641 136 V N 2.022 121.967 119.914 0.052 0.000 2.320 136 V HA 0.497 4.616 4.120 -0.000 0.000 0.268 136 V C 1.020 177.183 176.094 0.115 0.000 1.021 136 V CA -0.582 61.758 62.300 0.068 0.000 0.813 136 V CB 1.083 32.937 31.823 0.052 0.000 1.054 136 V HN 0.875 nan 8.190 nan 0.000 0.444 137 V N 2.891 122.898 119.914 0.154 0.000 3.178 137 V HA 0.770 4.890 4.120 -0.000 0.000 0.306 137 V C 0.428 176.678 176.094 0.260 0.000 1.107 137 V CA 0.700 63.103 62.300 0.173 0.000 1.195 137 V CB 1.236 33.170 31.823 0.185 0.000 0.993 137 V HN 1.076 nan 8.190 nan 0.000 0.493 138 A N 3.523 126.401 122.820 0.096 0.000 2.479 138 A HA 0.927 5.247 4.320 -0.000 0.000 0.296 138 A C -0.285 177.057 177.584 -0.403 0.000 1.121 138 A CA -0.010 52.024 52.037 -0.004 0.000 0.743 138 A CB 1.985 20.990 19.000 0.008 0.000 1.323 138 A HN 2.149 nan 8.150 nan 0.000 0.415 139 S N -0.687 114.605 115.700 -0.680 0.000 2.578 139 S HA 0.419 4.889 4.470 -0.000 0.000 0.272 139 S C -1.050 173.300 174.600 -0.417 0.000 1.145 139 S CA -0.147 57.597 58.200 -0.760 0.000 0.835 139 S CB 0.831 63.130 63.200 -1.503 0.000 1.104 139 S HN 1.040 nan 8.310 nan 0.000 0.458 140 N N 1.295 119.861 118.700 -0.223 0.000 2.235 140 N HA 0.149 4.888 4.740 -0.000 0.000 0.209 140 N C -0.040 175.414 175.510 -0.093 0.000 1.122 140 N CA -0.323 52.663 53.050 -0.107 0.000 0.845 140 N CB -0.178 38.260 38.487 -0.081 0.000 1.004 140 N HN 0.618 nan 8.380 nan 0.000 0.499 141 H N 1.061 120.029 119.070 -0.171 0.000 2.767 141 H HA 0.256 4.812 4.556 -0.000 0.000 0.316 141 H C 1.041 176.231 175.328 -0.230 0.000 1.059 141 H CA 0.229 56.151 56.048 -0.209 0.000 1.461 141 H CB 1.300 30.895 29.762 -0.279 0.000 1.475 141 H HN 0.236 nan 8.280 nan 0.000 0.531 142 A N 4.186 126.743 122.820 -0.438 0.000 2.054 142 A HA -0.237 4.083 4.320 -0.000 0.000 0.223 142 A C 2.413 179.860 177.584 -0.229 0.000 1.169 142 A CA 1.761 53.709 52.037 -0.149 0.000 0.655 142 A CB -0.943 18.048 19.000 -0.014 0.000 0.812 142 A HN 0.851 nan 8.150 nan 0.000 0.462 143 G N -3.016 105.231 108.800 -0.922 0.000 2.535 143 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.218 143 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.218 143 G C 1.147 175.728 174.900 -0.531 0.000 1.122 143 G CA 0.991 44.875 45.100 -2.026 0.000 0.769 143 G HN 0.593 nan 8.290 nan 0.000 0.549 144 Y N 0.102 120.283 120.300 -0.198 0.000 2.478 144 Y HA 0.203 4.752 4.550 -0.000 0.000 0.261 144 Y C 2.022 178.016 175.900 0.157 0.000 1.127 144 Y CA 0.139 58.328 58.100 0.149 0.000 1.288 144 Y CB 0.684 39.226 38.460 0.137 0.000 1.084 144 Y HN 0.117 nan 8.280 nan 0.000 0.530 145 E N -0.174 120.155 120.200 0.216 0.000 2.502 145 E HA -0.087 4.263 4.350 -0.000 0.000 0.194 145 E C 1.282 177.983 176.600 0.168 0.000 1.062 145 E CA 0.395 56.901 56.400 0.177 0.000 0.867 145 E CB 0.392 30.180 29.700 0.146 0.000 0.888 145 E HN 0.581 nan 8.360 nan 0.000 0.510 146 Q N -1.398 118.534 119.800 0.220 0.000 2.279 146 Q HA 0.162 4.502 4.340 -0.000 0.000 0.261 146 Q C -0.382 175.528 176.000 -0.150 0.000 0.796 146 Q CA 0.020 55.875 55.803 0.086 0.000 0.971 146 Q CB 0.731 29.622 28.738 0.255 0.000 1.179 146 Q HN -0.002 nan 8.270 nan 0.000 0.505 147 F N 1.168 121.180 119.950 0.103 0.000 2.538 147 F HA 0.475 5.002 4.527 -0.000 0.000 0.325 147 F C -0.415 175.260 175.800 -0.209 0.000 1.066 147 F CA -0.820 57.148 58.000 -0.053 0.000 0.946 147 F CB 1.918 40.936 39.000 0.029 0.000 1.199 147 F HN -0.141 nan 8.300 nan 0.000 0.473 148 E N 2.004 122.111 120.200 -0.156 0.000 2.187 148 E HA 0.493 4.843 4.350 -0.000 0.000 0.268 148 E C -1.543 174.946 176.600 -0.185 0.000 0.896 148 E CA -0.618 55.767 56.400 -0.023 0.000 0.766 148 E CB 2.195 31.972 29.700 0.128 0.000 1.142 148 E HN 0.288 nan 8.360 nan 0.000 0.408 149 F N 1.395 121.506 119.950 0.268 0.000 2.598 149 F HA 0.631 5.158 4.527 -0.000 0.000 0.327 149 F C 0.071 175.946 175.800 0.125 0.000 1.057 149 F CA -0.868 57.275 58.000 0.238 0.000 0.957 149 F CB 1.701 40.791 39.000 0.150 0.000 1.278 149 F HN 0.428 nan 8.300 nan 0.000 0.484 150 R N -0.420 120.185 120.500 0.177 0.000 2.765 150 R HA 0.796 5.136 4.340 -0.000 0.000 0.277 150 R C -2.581 173.739 176.300 0.033 0.000 1.028 150 R CA -0.905 55.197 56.100 0.002 0.000 0.860 150 R CB 1.190 31.312 30.300 -0.296 0.000 1.270 150 R HN 0.583 nan 8.270 nan 0.000 0.484 151 V N 0.422 120.364 119.914 0.047 0.000 3.007 151 V HA 0.698 4.818 4.120 -0.000 0.000 0.311 151 V C -1.484 174.683 176.094 0.121 0.000 1.120 151 V CA -0.851 61.514 62.300 0.108 0.000 0.980 151 V CB 2.517 34.444 31.823 0.172 0.000 1.033 151 V HN 0.779 nan 8.190 nan 0.000 0.429 152 K N 4.573 125.034 120.400 0.103 0.000 2.559 152 K HA 0.400 4.719 4.320 -0.000 0.000 0.249 152 K C -0.318 176.247 176.600 -0.059 0.000 0.958 152 K CA -0.430 55.876 56.287 0.031 0.000 0.901 152 K CB 2.155 34.648 32.500 -0.011 0.000 1.124 152 K HN 0.847 nan 8.250 nan 0.000 0.437 153 E N 2.037 122.091 120.200 -0.244 0.000 2.478 153 E HA 0.023 4.373 4.350 -0.000 0.000 0.262 153 E C -0.658 175.761 176.600 -0.301 0.000 1.243 153 E CA 0.527 56.552 56.400 -0.625 0.000 1.039 153 E CB 0.613 29.784 29.700 -0.882 0.000 0.983 153 E HN 0.493 nan 8.360 nan 0.000 0.479 154 T N 0.140 114.521 114.554 -0.289 0.000 2.883 154 T HA 0.132 4.481 4.350 -0.000 0.000 0.301 154 T C 0.186 174.803 174.700 -0.139 0.000 1.158 154 T CA -0.297 61.709 62.100 -0.156 0.000 1.007 154 T CB 1.479 70.285 68.868 -0.104 0.000 1.186 154 T HN 0.461 nan 8.240 nan 0.000 0.499 155 S N -0.081 115.565 115.700 -0.090 0.000 2.981 155 S HA -0.038 4.432 4.470 -0.000 0.000 0.235 155 S C 0.521 175.088 174.600 -0.055 0.000 0.983 155 S CA 0.753 58.913 58.200 -0.067 0.000 1.051 155 S CB -0.702 62.471 63.200 -0.046 0.000 0.814 155 S HN 0.731 nan 8.310 nan 0.000 0.518 156 D N -0.519 119.841 120.400 -0.067 0.000 2.500 156 D HA 0.265 4.904 4.640 -0.000 0.000 0.218 156 D C 1.490 177.762 176.300 -0.047 0.000 1.140 156 D CA 0.742 54.714 54.000 -0.047 0.000 0.830 156 D CB 0.147 40.922 40.800 -0.042 0.000 1.055 156 D HN 0.446 nan 8.370 nan 0.000 0.512 157 G N 0.833 109.584 108.800 -0.082 0.000 2.234 157 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.260 157 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.260 157 G C 0.460 175.330 174.900 -0.050 0.000 0.987 157 G CA 0.374 45.435 45.100 -0.066 0.000 0.625 157 G HN 0.409 nan 8.290 nan 0.000 0.532 158 R N -0.660 119.807 120.500 -0.055 0.000 2.536 158 R HA 0.614 4.954 4.340 -0.000 0.000 0.279 158 R C -0.859 175.423 176.300 -0.030 0.000 1.001 158 R CA -0.685 55.436 56.100 0.035 0.000 1.027 158 R CB 0.800 31.120 30.300 0.033 0.000 1.096 158 R HN 0.174 nan 8.270 nan 0.000 0.502 159 Y N 0.090 120.386 120.300 -0.007 0.000 2.330 159 Y HA 0.369 4.919 4.550 -0.000 0.000 0.336 159 Y C 0.320 176.209 175.900 -0.020 0.000 1.036 159 Y CA -0.813 57.281 58.100 -0.009 0.000 1.125 159 Y CB 1.838 40.297 38.460 -0.002 0.000 1.194 159 Y HN 0.630 nan 8.280 nan 0.000 0.469 160 A N 3.740 126.623 122.820 0.105 0.000 2.302 160 A HA 0.560 4.880 4.320 -0.000 0.000 0.295 160 A C -0.520 177.110 177.584 0.077 0.000 1.235 160 A CA -0.597 51.474 52.037 0.056 0.000 0.876 160 A CB -0.299 18.715 19.000 0.023 0.000 1.133 160 A HN 0.584 nan 8.150 nan 0.000 0.533 161 V N 3.714 123.659 119.914 0.051 0.000 2.614 161 V HA 0.268 4.388 4.120 -0.000 0.000 0.291 161 V C 0.345 176.508 176.094 0.114 0.000 1.049 161 V CA 0.107 62.451 62.300 0.074 0.000 1.038 161 V CB 0.480 32.311 31.823 0.013 0.000 0.980 161 V HN 1.011 nan 8.190 nan 0.000 0.481 162 Q N 3.373 123.281 119.800 0.180 0.000 2.501 162 Q HA 0.750 5.090 4.340 -0.000 0.000 0.288 162 Q C -1.425 174.837 176.000 0.437 0.000 1.051 162 Q CA -0.822 55.142 55.803 0.269 0.000 0.788 162 Q CB 3.235 32.056 28.738 0.139 0.000 1.469 162 Q HN 0.848 nan 8.270 nan 0.000 0.416 163 Y N -1.956 118.512 120.300 0.279 0.000 2.750 163 Y HA 0.750 5.300 4.550 -0.000 0.000 0.335 163 Y C -1.811 174.184 175.900 0.157 0.000 1.252 163 Y CA -1.342 56.894 58.100 0.227 0.000 1.064 163 Y CB 1.405 39.710 38.460 -0.258 0.000 1.321 163 Y HN 0.799 nan 8.280 nan 0.000 0.451 164 R N 1.152 121.411 120.500 -0.401 0.000 2.733 164 R HA 0.575 4.915 4.340 -0.000 0.000 0.272 164 R C -1.643 174.412 176.300 -0.407 0.000 1.029 164 R CA -1.274 54.402 56.100 -0.707 0.000 0.888 164 R CB 1.608 31.237 30.300 -1.119 0.000 1.251 164 R HN 0.676 nan 8.270 nan 0.000 0.464 165 R N 1.929 122.184 120.500 -0.409 0.000 2.441 165 R HA 0.099 4.438 4.340 -0.000 0.000 0.284 165 R C -0.369 175.736 176.300 -0.325 0.000 1.070 165 R CA -0.381 55.480 56.100 -0.399 0.000 1.047 165 R CB 1.147 31.250 30.300 -0.328 0.000 1.016 165 R HN 0.721 nan 8.270 nan 0.000 0.477 166 K N 2.087 122.314 120.400 -0.289 0.000 2.438 166 K HA -0.149 4.171 4.320 -0.000 0.000 0.270 166 K C 0.315 176.827 176.600 -0.148 0.000 1.095 166 K CA 1.354 57.537 56.287 -0.174 0.000 1.174 166 K CB -0.157 32.267 32.500 -0.128 0.000 0.830 166 K HN 0.806 nan 8.250 nan 0.000 0.487 167 G N 3.002 111.729 108.800 -0.122 0.000 2.422 167 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.301 167 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.301 167 G C 0.276 175.104 174.900 -0.120 0.000 0.981 167 G CA 0.400 45.440 45.100 -0.100 0.000 0.994 167 G HN 1.053 nan 8.290 nan 0.000 0.514 168 G N -0.519 108.180 108.800 -0.168 0.000 2.770 168 G HA2 0.513 4.472 3.960 -0.000 0.000 0.298 168 G HA3 0.513 4.472 3.960 -0.000 0.000 0.298 168 G C 0.384 175.140 174.900 -0.240 0.000 1.534 168 G CA 0.777 45.772 45.100 -0.175 0.000 1.046 168 G HN 0.224 nan 8.290 nan 0.000 0.548 169 D N 1.800 122.074 120.400 -0.209 0.000 2.421 169 D HA -0.188 4.451 4.640 -0.000 0.000 0.195 169 D C 0.280 176.429 176.300 -0.253 0.000 1.022 169 D CA 1.384 55.255 54.000 -0.214 0.000 0.871 169 D CB 0.134 40.859 40.800 -0.126 0.000 1.026 169 D HN 0.348 nan 8.370 nan 0.000 0.462 170 D N -1.307 118.974 120.400 -0.198 0.000 2.313 170 D HA 0.120 4.760 4.640 -0.000 0.000 0.247 170 D C -0.023 176.108 176.300 -0.282 0.000 1.094 170 D CA -0.311 53.588 54.000 -0.168 0.000 0.925 170 D CB 0.473 41.232 40.800 -0.068 0.000 1.188 170 D HN -0.005 nan 8.370 nan 0.000 0.430 171 F N 0.670 120.567 119.950 -0.087 0.000 2.378 171 F HA 0.205 4.732 4.527 -0.000 0.000 0.319 171 F C 0.976 176.727 175.800 -0.082 0.000 1.155 171 F CA -0.076 57.861 58.000 -0.106 0.000 1.157 171 F CB 0.759 39.734 39.000 -0.042 0.000 1.252 171 F HN 0.265 nan 8.300 nan 0.000 0.550 172 E N 0.336 120.635 120.200 0.165 0.000 2.378 172 E HA 0.618 4.967 4.350 -0.000 0.000 0.283 172 E C -1.728 175.037 176.600 0.276 0.000 0.979 172 E CA -1.342 55.143 56.400 0.142 0.000 0.795 172 E CB 1.201 30.928 29.700 0.045 0.000 1.221 172 E HN 0.706 nan 8.360 nan 0.000 0.428 173 A N 2.116 125.055 122.820 0.199 0.000 2.565 173 A HA 0.310 4.630 4.320 -0.000 0.000 0.237 173 A C 0.711 178.416 177.584 0.202 0.000 1.053 173 A CA -0.003 52.137 52.037 0.173 0.000 0.755 173 A CB -0.232 18.819 19.000 0.085 0.000 0.980 173 A HN 0.789 nan 8.150 nan 0.000 0.506 174 V N 1.052 121.027 119.914 0.102 0.000 2.614 174 V HA 0.379 4.499 4.120 -0.000 0.000 0.291 174 V C 0.169 176.226 176.094 -0.062 0.000 1.049 174 V CA -0.825 61.431 62.300 -0.074 0.000 1.038 174 V CB 0.559 32.219 31.823 -0.271 0.000 0.980 174 V HN 0.703 nan 8.190 nan 0.000 0.481 175 K N 3.140 123.510 120.400 -0.050 0.000 2.185 175 K HA 0.708 5.027 4.320 -0.000 0.000 0.269 175 K C -0.815 175.738 176.600 -0.078 0.000 0.987 175 K CA -0.512 55.751 56.287 -0.040 0.000 0.865 175 K CB 2.156 34.663 32.500 0.013 0.000 1.090 175 K HN 0.663 nan 8.250 nan 0.000 0.450 176 V N 4.459 124.323 119.914 -0.084 0.000 2.735 176 V HA 0.435 4.555 4.120 -0.000 0.000 0.310 176 V C -0.434 175.641 176.094 -0.032 0.000 1.061 176 V CA -1.094 61.158 62.300 -0.080 0.000 0.913 176 V CB 1.814 33.544 31.823 -0.155 0.000 1.005 176 V HN 0.643 nan 8.190 nan 0.000 0.428 177 I N 6.118 126.679 120.570 -0.015 0.000 2.517 177 I HA 0.413 4.583 4.170 -0.000 0.000 0.285 177 I C 1.021 177.135 176.117 -0.004 0.000 1.106 177 I CA 0.932 62.230 61.300 -0.003 0.000 1.402 177 I CB 0.630 38.610 38.000 -0.033 0.000 1.399 177 I HN 0.754 nan 8.210 nan 0.000 0.535 178 G N 4.810 113.626 108.800 0.027 0.000 2.820 178 G HA2 0.322 4.282 3.960 -0.000 0.000 0.291 178 G HA3 0.322 4.282 3.960 -0.000 0.000 0.291 178 G C -0.232 174.719 174.900 0.085 0.000 1.323 178 G CA -0.703 44.420 45.100 0.039 0.000 1.055 178 G HN 0.480 nan 8.290 nan 0.000 0.520 179 N N -0.795 117.961 118.700 0.092 0.000 2.207 179 N HA 0.163 4.903 4.740 -0.000 0.000 0.223 179 N C 1.713 177.322 175.510 0.165 0.000 1.339 179 N CA 0.434 53.569 53.050 0.140 0.000 0.889 179 N CB 0.398 38.941 38.487 0.093 0.000 1.128 179 N HN 0.511 nan 8.380 nan 0.000 0.456 180 A N -0.167 122.742 122.820 0.148 0.000 2.015 180 A HA 0.039 4.359 4.320 -0.000 0.000 0.219 180 A C 1.696 179.320 177.584 0.067 0.000 1.163 180 A CA 1.687 53.779 52.037 0.092 0.000 0.646 180 A CB -0.692 18.340 19.000 0.054 0.000 0.806 180 A HN 0.635 nan 8.150 nan 0.000 0.448 181 A N -1.579 121.280 122.820 0.065 0.000 2.238 181 A HA 0.411 4.731 4.320 -0.000 0.000 0.208 181 A C 1.767 179.378 177.584 0.044 0.000 1.177 181 A CA 1.120 53.185 52.037 0.046 0.000 0.804 181 A CB -1.040 17.983 19.000 0.040 0.000 0.823 181 A HN 1.802 nan 8.150 nan 0.000 0.482 182 G N -0.664 108.170 108.800 0.056 0.000 2.162 182 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.260 182 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.260 182 G C 0.154 175.077 174.900 0.038 0.000 0.976 182 G CA 0.347 45.474 45.100 0.045 0.000 0.655 182 G HN 0.527 nan 8.290 nan 0.000 0.533 183 I N 2.141 122.738 120.570 0.046 0.000 2.471 183 I HA 0.219 4.389 4.170 -0.000 0.000 0.286 183 I C -1.620 174.530 176.117 0.054 0.000 1.079 183 I CA -2.083 59.245 61.300 0.047 0.000 1.398 183 I CB 0.889 38.918 38.000 0.049 0.000 1.403 183 I HN -0.090 nan 8.210 nan 0.000 0.530 184 P HA 0.159 nan 4.420 nan 0.000 0.270 184 P C -0.896 176.470 177.300 0.110 0.000 1.223 184 P CA -0.091 63.066 63.100 0.094 0.000 0.785 184 P CB 0.572 32.345 31.700 0.121 0.000 0.923 185 L N 0.876 122.154 121.223 0.090 0.000 2.346 185 L HA 0.566 4.906 4.340 -0.000 0.000 0.276 185 L C 0.801 177.662 176.870 -0.015 0.000 1.006 185 L CA -0.302 54.550 54.840 0.020 0.000 0.817 185 L CB 2.058 44.088 42.059 -0.049 0.000 1.272 185 L HN 0.335 nan 8.230 nan 0.000 0.421 186 T N 1.134 115.637 114.554 -0.085 0.000 2.870 186 T HA 0.750 5.100 4.350 -0.000 0.000 0.277 186 T C -0.102 174.536 174.700 -0.104 0.000 1.000 186 T CA -0.249 61.756 62.100 -0.160 0.000 0.982 186 T CB 1.458 70.179 68.868 -0.245 0.000 1.249 186 T HN 0.651 nan 8.240 nan 0.000 0.589 187 A N 1.739 124.498 122.820 -0.101 0.000 2.466 187 A HA 0.450 4.770 4.320 -0.000 0.000 0.238 187 A C 0.364 177.917 177.584 -0.051 0.000 1.074 187 A CA -0.295 51.705 52.037 -0.062 0.000 0.774 187 A CB -0.187 18.782 19.000 -0.051 0.000 1.015 187 A HN 0.880 nan 8.150 nan 0.000 0.498 188 D N 0.032 120.417 120.400 -0.026 0.000 2.440 188 D HA 0.419 5.058 4.640 -0.000 0.000 0.258 188 D C -0.577 175.719 176.300 -0.006 0.000 1.092 188 D CA -0.539 53.444 54.000 -0.029 0.000 1.016 188 D CB 0.969 41.743 40.800 -0.043 0.000 1.141 188 D HN 0.361 nan 8.370 nan 0.000 0.552 189 I N 0.962 121.534 120.570 0.002 0.000 2.281 189 I HA 0.060 4.230 4.170 -0.000 0.000 0.293 189 I C -0.374 175.797 176.117 0.091 0.000 1.085 189 I CA -0.542 60.807 61.300 0.080 0.000 1.257 189 I CB 0.415 38.495 38.000 0.133 0.000 1.430 189 I HN 0.025 nan 8.210 nan 0.000 0.489 190 D N 8.118 128.596 120.400 0.129 0.000 2.343 190 D HA 0.253 4.893 4.640 -0.000 0.000 0.255 190 D C 0.170 176.571 176.300 0.168 0.000 1.187 190 D CA 0.191 54.284 54.000 0.155 0.000 0.875 190 D CB 0.988 41.925 40.800 0.228 0.000 1.136 190 D HN 0.342 nan 8.370 nan 0.000 0.469 191 M N 2.184 121.815 119.600 0.051 0.000 2.235 191 M HA 0.135 4.615 4.480 -0.000 0.000 0.351 191 M C 0.948 177.291 176.300 0.072 0.000 1.178 191 M CA -0.520 54.722 55.300 -0.096 0.000 1.143 191 M CB 1.096 33.550 32.600 -0.244 0.000 1.530 191 M HN 0.387 nan 8.290 nan 0.000 0.461 192 F N 2.045 121.964 119.950 -0.051 0.000 2.270 192 F HA 0.423 4.950 4.527 -0.000 0.000 0.295 192 F C 0.545 176.367 175.800 0.036 0.000 1.087 192 F CA 0.798 58.822 58.000 0.039 0.000 1.365 192 F CB 0.444 39.480 39.000 0.061 0.000 1.056 192 F HN 0.638 nan 8.300 nan 0.000 0.506 193 A N -0.295 122.533 122.820 0.014 0.000 2.522 193 A HA 0.546 4.866 4.320 -0.000 0.000 0.291 193 A C -1.714 175.890 177.584 0.033 0.000 1.039 193 A CA -0.652 51.360 52.037 -0.041 0.000 0.643 193 A CB 0.185 19.218 19.000 0.056 0.000 1.310 193 A HN 0.046 nan 8.150 nan 0.000 0.436 194 I N 0.663 121.278 120.570 0.075 0.000 2.512 194 I HA 0.383 4.552 4.170 -0.000 0.000 0.287 194 I C -0.735 175.522 176.117 0.234 0.000 1.069 194 I CA -0.170 61.224 61.300 0.157 0.000 1.056 194 I CB 1.971 40.094 38.000 0.206 0.000 1.229 194 I HN 0.656 nan 8.210 nan 0.000 0.429 195 M N 8.480 128.235 119.600 0.258 0.000 2.208 195 M HA 0.317 4.797 4.480 -0.000 0.000 0.352 195 M C -2.543 173.956 176.300 0.332 0.000 1.137 195 M CA -1.603 53.877 55.300 0.299 0.000 1.091 195 M CB 1.249 34.006 32.600 0.262 0.000 1.309 195 M HN 0.134 nan 8.290 nan 0.000 0.408 196 P HA 0.072 nan 4.420 nan 0.000 0.280 196 P C -0.974 176.414 177.300 0.146 0.000 1.244 196 P CA -0.081 63.039 63.100 0.033 0.000 0.784 196 P CB 0.572 31.937 31.700 -0.559 0.000 0.913 197 H N 2.333 121.416 119.070 0.023 0.000 2.732 197 H HA 0.031 4.586 4.556 -0.000 0.000 0.351 197 H C 1.219 176.476 175.328 -0.118 0.000 1.090 197 H CA -0.159 55.713 56.048 -0.294 0.000 1.431 197 H CB 0.604 30.078 29.762 -0.480 0.000 1.447 197 H HN 0.190 nan 8.280 nan 0.000 0.582 198 L N 3.350 124.227 121.223 -0.576 0.000 2.127 198 L HA -0.173 4.167 4.340 -0.000 0.000 0.211 198 L C 2.179 179.036 176.870 -0.023 0.000 1.089 198 L CA 2.137 56.869 54.840 -0.180 0.000 0.757 198 L CB -1.012 40.879 42.059 -0.279 0.000 0.899 198 L HN 0.846 nan 8.230 nan 0.000 0.434 199 S N -1.443 114.230 115.700 -0.045 0.000 2.469 199 S HA -0.156 4.314 4.470 -0.000 0.000 0.238 199 S C 1.681 176.271 174.600 -0.016 0.000 0.998 199 S CA 1.024 59.263 58.200 0.065 0.000 0.957 199 S CB -0.882 62.430 63.200 0.188 0.000 0.764 199 S HN 0.564 nan 8.310 nan 0.000 0.514 200 N N 0.810 119.421 118.700 -0.148 0.000 2.609 200 N HA 0.061 4.801 4.740 -0.000 0.000 0.190 200 N C -0.258 174.838 175.510 -0.689 0.000 1.157 200 N CA 0.724 53.519 53.050 -0.424 0.000 0.918 200 N CB -0.258 37.792 38.487 -0.729 0.000 0.978 200 N HN 0.572 nan 8.380 nan 0.000 0.448 201 F N -0.436 119.489 119.950 -0.042 0.000 2.735 201 F HA 0.340 4.867 4.527 -0.001 0.000 0.304 201 F C 1.844 177.630 175.800 -0.023 0.000 1.119 201 F CA -0.572 57.410 58.000 -0.029 0.000 1.280 201 F CB 0.250 39.211 39.000 -0.065 0.000 0.994 201 F HN -0.141 nan 8.300 nan 0.000 0.520 202 R N 0.843 121.386 120.500 0.070 0.000 2.057 202 R HA -0.111 4.228 4.340 -0.000 0.000 0.229 202 R C 1.263 177.589 176.300 0.043 0.000 1.136 202 R CA 2.071 58.199 56.100 0.046 0.000 0.952 202 R CB -0.125 30.186 30.300 0.019 0.000 0.848 202 R HN 0.109 nan 8.270 nan 0.000 0.430 203 D N 0.059 120.479 120.400 0.033 0.000 2.144 203 D HA -0.096 4.544 4.640 -0.000 0.000 0.199 203 D C 1.921 178.252 176.300 0.052 0.000 0.984 203 D CA 1.163 55.183 54.000 0.034 0.000 0.834 203 D CB -0.230 40.584 40.800 0.025 0.000 0.955 203 D HN 0.117 nan 8.370 nan 0.000 0.465 204 S N -0.210 115.541 115.700 0.084 0.000 2.368 204 S HA -0.116 4.354 4.470 -0.000 0.000 0.225 204 S C 1.988 176.638 174.600 0.084 0.000 1.030 204 S CA 1.140 59.410 58.200 0.116 0.000 0.999 204 S CB -0.089 63.253 63.200 0.236 0.000 0.844 204 S HN 0.367 nan 8.310 nan 0.000 0.459 205 A N 1.383 124.248 122.820 0.075 0.000 1.930 205 A HA 0.014 4.333 4.320 -0.000 0.000 0.215 205 A C 2.098 179.684 177.584 0.003 0.000 1.176 205 A CA 0.866 52.921 52.037 0.030 0.000 0.632 205 A CB -0.358 18.654 19.000 0.019 0.000 0.819 205 A HN 0.408 nan 8.150 nan 0.000 0.445 206 R N -0.260 120.245 120.500 0.009 0.000 2.081 206 R HA -0.108 4.232 4.340 -0.000 0.000 0.235 206 R C 2.551 178.854 176.300 0.004 0.000 1.131 206 R CA 1.554 57.651 56.100 -0.004 0.000 0.960 206 R CB -0.389 29.918 30.300 0.012 0.000 0.856 206 R HN 0.580 nan 8.270 nan 0.000 0.436 207 S N -0.157 115.556 115.700 0.022 0.000 2.474 207 S HA -0.106 4.364 4.470 -0.000 0.000 0.235 207 S C 1.964 176.575 174.600 0.019 0.000 0.997 207 S CA 1.591 59.808 58.200 0.028 0.000 0.949 207 S CB -0.013 63.209 63.200 0.036 0.000 0.766 207 S HN 0.268 nan 8.310 nan 0.000 0.517 208 S N -0.620 115.084 115.700 0.007 0.000 2.387 208 S HA 0.125 4.594 4.470 -0.000 0.000 0.221 208 S C 1.609 176.192 174.600 -0.028 0.000 1.041 208 S CA 0.923 59.121 58.200 -0.003 0.000 0.959 208 S CB -0.242 62.957 63.200 -0.002 0.000 0.843 208 S HN 0.399 nan 8.310 nan 0.000 0.488 209 V N 1.491 121.370 119.914 -0.059 0.000 2.484 209 V HA 0.038 4.158 4.120 -0.000 0.000 0.236 209 V C 2.598 178.547 176.094 -0.242 0.000 1.062 209 V CA 1.729 63.956 62.300 -0.123 0.000 1.081 209 V CB -0.771 30.975 31.823 -0.128 0.000 0.751 209 V HN 0.718 nan 8.190 nan 0.000 0.484 210 T N -2.424 111.960 114.554 -0.283 0.000 2.975 210 T HA -0.016 4.334 4.350 -0.000 0.000 0.220 210 T C 1.149 175.868 174.700 0.031 0.000 1.011 210 T CA 1.106 62.917 62.100 -0.482 0.000 1.880 210 T CB -0.207 68.523 68.868 -0.230 0.000 1.348 210 T HN 0.246 nan 8.240 nan 0.000 0.415 211 S N -0.813 114.974 115.700 0.145 0.000 2.968 211 S HA 0.492 4.962 4.470 -0.000 0.000 0.243 211 S C 0.831 175.485 174.600 0.090 0.000 0.799 211 S CA 0.332 58.618 58.200 0.144 0.000 1.101 211 S CB -0.164 63.167 63.200 0.217 0.000 1.313 211 S HN 1.293 nan 8.310 nan 0.000 0.521 212 G N 1.379 110.217 108.800 0.062 0.000 2.258 212 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.233 212 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.233 212 G C -0.436 174.503 174.900 0.065 0.000 1.006 212 G CA 0.074 45.208 45.100 0.057 0.000 0.620 212 G HN 0.517 nan 8.290 nan 0.000 0.511 213 D N 1.216 121.678 120.400 0.103 0.000 2.253 213 D HA 0.562 5.202 4.640 -0.000 0.000 0.249 213 D C 1.108 177.459 176.300 0.085 0.000 1.049 213 D CA 0.480 54.547 54.000 0.111 0.000 0.929 213 D CB 1.502 42.409 40.800 0.178 0.000 1.176 213 D HN 0.554 nan 8.370 nan 0.000 0.437 214 S N -0.301 115.439 115.700 0.067 0.000 2.587 214 S HA 0.050 4.519 4.470 -0.000 0.000 0.260 214 S C 1.403 176.044 174.600 0.068 0.000 1.353 214 S CA -0.744 57.482 58.200 0.043 0.000 0.995 214 S CB 0.652 63.871 63.200 0.032 0.000 0.912 214 S HN 0.229 nan 8.310 nan 0.000 0.568 215 V N 1.704 121.638 119.914 0.033 0.000 2.295 215 V HA -0.162 3.958 4.120 -0.000 0.000 0.246 215 V C 2.838 178.989 176.094 0.095 0.000 1.049 215 V CA 2.505 64.831 62.300 0.044 0.000 1.024 215 V CB -1.593 30.230 31.823 -0.002 0.000 0.648 215 V HN 1.057 nan 8.190 nan 0.000 0.447 216 T N -0.342 114.247 114.554 0.059 0.000 2.684 216 T HA -0.207 4.143 4.350 -0.000 0.000 0.267 216 T C 1.655 176.393 174.700 0.064 0.000 1.036 216 T CA 1.820 63.952 62.100 0.053 0.000 1.148 216 T CB -0.384 68.501 68.868 0.029 0.000 0.863 216 T HN 0.471 nan 8.240 nan 0.000 0.436 217 D N -0.181 120.260 120.400 0.069 0.000 2.117 217 D HA -0.050 4.589 4.640 -0.000 0.000 0.198 217 D C 1.677 178.021 176.300 0.073 0.000 0.982 217 D CA 0.823 54.858 54.000 0.058 0.000 0.828 217 D CB -0.433 40.400 40.800 0.054 0.000 0.967 217 D HN 0.468 nan 8.370 nan 0.000 0.464 218 Y N 1.250 121.552 120.300 0.003 0.000 2.181 218 Y HA -0.153 4.397 4.550 -0.000 0.000 0.288 218 Y C 2.160 178.062 175.900 0.005 0.000 1.146 218 Y CA 1.339 59.442 58.100 0.005 0.000 1.164 218 Y CB -0.233 38.231 38.460 0.006 0.000 0.982 218 Y HN -0.093 nan 8.280 nan 0.000 0.515 219 L N -0.446 120.891 121.223 0.191 0.000 2.027 219 L HA -0.208 4.132 4.340 -0.000 0.000 0.206 219 L C 2.841 179.708 176.870 -0.004 0.000 1.074 219 L CA 1.095 55.997 54.840 0.104 0.000 0.745 219 L CB -1.089 41.043 42.059 0.121 0.000 0.898 219 L HN 0.336 nan 8.230 nan 0.000 0.433 220 A N 0.193 123.013 122.820 -0.000 0.000 1.892 220 A HA -0.297 4.022 4.320 -0.000 0.000 0.218 220 A C 2.447 179.998 177.584 -0.055 0.000 1.188 220 A CA 2.193 54.219 52.037 -0.018 0.000 0.631 220 A CB -0.711 18.285 19.000 -0.008 0.000 0.822 220 A HN 0.375 nan 8.150 nan 0.000 0.447 221 R N -0.726 119.717 120.500 -0.095 0.000 2.073 221 R HA -0.147 4.192 4.340 -0.000 0.000 0.234 221 R C 2.236 178.431 176.300 -0.175 0.000 1.134 221 R CA 2.334 58.351 56.100 -0.138 0.000 0.952 221 R CB -0.413 29.778 30.300 -0.181 0.000 0.850 221 R HN 0.680 nan 8.270 nan 0.000 0.433 222 T N -2.446 111.951 114.554 -0.261 0.000 3.037 222 T HA 0.165 4.515 4.350 -0.000 0.000 0.252 222 T C 1.225 175.861 174.700 -0.108 0.000 1.073 222 T CA -0.355 61.609 62.100 -0.226 0.000 1.091 222 T CB 0.157 68.797 68.868 -0.379 0.000 0.935 222 T HN 0.010 nan 8.240 nan 0.000 0.488 223 R N 1.511 121.968 120.500 -0.071 0.000 2.523 223 R HA 0.737 5.076 4.340 -0.000 0.000 0.223 223 R C -0.517 175.769 176.300 -0.023 0.000 1.280 223 R CA -0.703 55.385 56.100 -0.021 0.000 1.047 223 R CB 0.513 30.818 30.300 0.009 0.000 1.650 223 R HN 0.379 nan 8.270 nan 0.000 0.545 224 R N -0.792 119.702 120.500 -0.009 0.000 2.740 224 R HA 0.651 4.991 4.340 -0.000 0.000 0.273 224 R C -0.806 175.492 176.300 -0.004 0.000 0.998 224 R CA -0.750 55.344 56.100 -0.010 0.000 0.900 224 R CB 1.532 31.827 30.300 -0.008 0.000 1.223 224 R HN 0.660 nan 8.270 nan 0.000 0.466 234 D N 1.888 122.303 120.400 0.024 0.000 2.422 234 D HA 0.088 4.728 4.640 -0.000 0.000 0.263 234 D C 1.043 177.365 176.300 0.036 0.000 1.334 234 D CA 0.128 54.145 54.000 0.029 0.000 1.105 234 D CB 0.754 41.571 40.800 0.027 0.000 1.107 234 D HN 0.473 nan 8.370 nan 0.000 0.522 235 R N 2.761 123.282 120.500 0.035 0.000 2.103 235 R HA -0.167 4.173 4.340 -0.000 0.000 0.242 235 R C 1.651 177.980 176.300 0.047 0.000 1.142 235 R CA 1.047 57.171 56.100 0.039 0.000 0.960 235 R CB -0.221 30.096 30.300 0.029 0.000 0.858 235 R HN 0.601 nan 8.270 nan 0.000 0.439 236 E N 0.335 120.561 120.200 0.043 0.000 2.038 236 E HA -0.215 4.135 4.350 -0.000 0.000 0.195 236 E C 2.168 178.802 176.600 0.056 0.000 1.000 236 E CA 1.045 57.475 56.400 0.050 0.000 0.803 236 E CB -0.291 29.441 29.700 0.053 0.000 0.750 236 E HN 0.275 nan 8.360 nan 0.000 0.448 237 R N 0.990 121.521 120.500 0.051 0.000 2.105 237 R HA -0.141 4.198 4.340 -0.000 0.000 0.239 237 R C 2.267 178.593 176.300 0.043 0.000 1.135 237 R CA 1.184 57.311 56.100 0.045 0.000 0.967 237 R CB -0.164 30.158 30.300 0.036 0.000 0.861 237 R HN 0.173 nan 8.270 nan 0.000 0.442 238 I N 0.333 120.941 120.570 0.064 0.000 2.353 238 I HA -0.196 3.974 4.170 -0.000 0.000 0.248 238 I C 1.752 177.972 176.117 0.171 0.000 1.119 238 I CA 1.232 62.592 61.300 0.101 0.000 1.417 238 I CB -0.261 37.816 38.000 0.127 0.000 1.078 238 I HN 0.221 nan 8.210 nan 0.000 0.421 239 D N 0.783 121.265 120.400 0.137 0.000 2.117 239 D HA -0.187 4.452 4.640 -0.000 0.000 0.198 239 D C 2.004 178.372 176.300 0.113 0.000 0.982 239 D CA 1.008 55.093 54.000 0.143 0.000 0.828 239 D CB 0.077 40.923 40.800 0.076 0.000 0.967 239 D HN 0.055 nan 8.370 nan 0.000 0.464 240 L N 0.197 121.452 121.223 0.054 0.000 2.083 240 L HA -0.044 4.296 4.340 -0.000 0.000 0.209 240 L C 1.990 178.853 176.870 -0.012 0.000 1.083 240 L CA 1.280 56.118 54.840 -0.003 0.000 0.752 240 L CB -0.397 41.644 42.059 -0.029 0.000 0.899 240 L HN 0.165 nan 8.230 nan 0.000 0.433 241 L N -2.381 118.836 121.223 -0.010 0.000 1.994 241 L HA -0.257 4.082 4.340 -0.000 0.000 0.208 241 L C 2.395 179.202 176.870 -0.104 0.000 1.071 241 L CA 1.812 56.599 54.840 -0.089 0.000 0.745 241 L CB -0.768 41.205 42.059 -0.143 0.000 0.892 241 L HN 0.336 nan 8.230 nan 0.000 0.431 242 W N 0.652 121.930 121.300 -0.038 0.000 2.342 242 W HA -0.205 4.454 4.660 -0.001 0.000 0.297 242 W C 2.684 179.174 176.519 -0.050 0.000 1.213 242 W CA 1.093 58.414 57.345 -0.041 0.000 1.251 242 W CB -0.096 29.342 29.460 -0.036 0.000 1.136 242 W HN 0.017 nan 8.180 nan 0.000 0.526 243 K N 0.196 120.693 120.400 0.162 0.000 2.032 243 K HA -0.200 4.120 4.320 -0.000 0.000 0.209 243 K C 1.857 178.465 176.600 0.014 0.000 1.048 243 K CA 2.050 58.377 56.287 0.066 0.000 0.927 243 K CB -0.821 31.684 32.500 0.007 0.000 0.712 243 K HN 0.385 nan 8.250 nan 0.000 0.441 244 I N -2.012 118.542 120.570 -0.026 0.000 2.546 244 I HA -0.077 4.093 4.170 -0.000 0.000 0.255 244 I C 2.259 178.351 176.117 -0.042 0.000 1.163 244 I CA 1.176 62.449 61.300 -0.044 0.000 1.457 244 I CB -0.283 37.680 38.000 -0.062 0.000 1.092 244 I HN -0.100 nan 8.210 nan 0.000 0.434 245 A N 1.875 124.661 122.820 -0.057 0.000 1.877 245 A HA -0.191 4.129 4.320 -0.000 0.000 0.216 245 A C 2.624 180.208 177.584 0.000 0.000 1.186 245 A CA 1.652 53.646 52.037 -0.073 0.000 0.620 245 A CB -0.772 18.119 19.000 -0.183 0.000 0.822 245 A HN 0.502 nan 8.150 nan 0.000 0.443 246 R N -0.155 120.386 120.500 0.069 0.000 2.073 246 R HA -0.118 4.221 4.340 -0.000 0.000 0.234 246 R C 2.287 178.580 176.300 -0.012 0.000 1.134 246 R CA 1.637 57.768 56.100 0.051 0.000 0.952 246 R CB -0.541 29.798 30.300 0.065 0.000 0.850 246 R HN 0.434 nan 8.270 nan 0.000 0.433 247 A N 0.148 122.959 122.820 -0.015 0.000 1.930 247 A HA -0.047 4.273 4.320 -0.000 0.000 0.217 247 A C 2.349 179.906 177.584 -0.046 0.000 1.175 247 A CA 1.639 53.657 52.037 -0.031 0.000 0.627 247 A CB -1.007 17.980 19.000 -0.021 0.000 0.815 247 A HN 0.564 nan 8.150 nan 0.000 0.443 248 G N -0.341 108.435 108.800 -0.041 0.000 2.433 248 G HA2 -0.023 3.936 3.960 -0.000 0.000 0.216 248 G HA3 -0.023 3.936 3.960 -0.000 0.000 0.216 248 G C 1.769 176.571 174.900 -0.164 0.000 1.186 248 G CA 1.506 46.578 45.100 -0.047 0.000 0.779 248 G HN 0.795 nan 8.290 nan 0.000 0.543 249 A N 0.383 123.111 122.820 -0.154 0.000 1.930 249 A HA 0.032 4.352 4.320 -0.000 0.000 0.217 249 A C 2.325 179.760 177.584 -0.248 0.000 1.175 249 A CA 1.775 53.688 52.037 -0.207 0.000 0.627 249 A CB -0.423 18.502 19.000 -0.126 0.000 0.815 249 A HN 0.360 nan 8.150 nan 0.000 0.443 250 R N -0.423 119.969 120.500 -0.180 0.000 2.120 250 R HA -0.078 4.261 4.340 -0.000 0.000 0.234 250 R C 2.178 178.347 176.300 -0.219 0.000 1.123 250 R CA 1.639 57.633 56.100 -0.177 0.000 0.975 250 R CB -0.187 30.044 30.300 -0.114 0.000 0.866 250 R HN 0.485 nan 8.270 nan 0.000 0.446 251 S N 0.089 115.648 115.700 -0.234 0.000 2.362 251 S HA -0.015 4.455 4.470 -0.000 0.000 0.221 251 S C 1.916 176.153 174.600 -0.604 0.000 1.032 251 S CA 0.846 58.911 58.200 -0.225 0.000 0.973 251 S CB -0.039 63.156 63.200 -0.008 0.000 0.849 251 S HN 0.536 nan 8.310 nan 0.000 0.465 252 A N 0.751 122.843 122.820 -1.212 0.000 1.927 252 A HA -0.097 4.223 4.320 -0.000 0.000 0.220 252 A C 2.068 179.235 177.584 -0.694 0.000 1.185 252 A CA 1.623 52.575 52.037 -1.810 0.000 0.639 252 A CB -0.700 17.575 19.000 -1.207 0.000 0.820 252 A HN 0.369 nan 8.150 nan 0.000 0.451 253 V N -0.455 119.175 119.914 -0.474 0.000 3.649 253 V HA 0.252 4.371 4.120 -0.000 0.000 0.275 253 V C 1.570 177.398 176.094 -0.444 0.000 1.281 253 V CA 0.699 62.748 62.300 -0.417 0.000 1.143 253 V CB -0.954 30.646 31.823 -0.372 0.000 0.892 253 V HN 1.011 nan 8.190 nan 0.000 0.441 254 G N 1.259 109.884 108.800 -0.292 0.000 2.421 254 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.300 254 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.300 254 G C 0.803 175.573 174.900 -0.216 0.000 0.974 254 G CA 0.838 45.830 45.100 -0.181 0.000 1.062 254 G HN 0.447 nan 8.290 nan 0.000 0.514 255 T N -0.170 114.246 114.554 -0.230 0.000 2.624 255 T HA -0.158 4.191 4.350 -0.000 0.000 0.268 255 T C 2.076 176.684 174.700 -0.153 0.000 1.041 255 T CA 1.589 63.564 62.100 -0.207 0.000 1.159 255 T CB -0.105 68.658 68.868 -0.175 0.000 0.863 255 T HN 0.543 nan 8.240 nan 0.000 0.434 256 E N 0.722 120.855 120.200 -0.113 0.000 2.047 256 E HA -0.063 4.286 4.350 -0.000 0.000 0.191 256 E C 2.639 179.193 176.600 -0.077 0.000 0.987 256 E CA 1.115 57.466 56.400 -0.082 0.000 0.799 256 E CB -0.319 29.348 29.700 -0.054 0.000 0.752 256 E HN 0.474 nan 8.360 nan 0.000 0.449 257 A N 1.424 124.205 122.820 -0.064 0.000 1.978 257 A HA -0.172 4.147 4.320 -0.000 0.000 0.220 257 A C 1.996 179.535 177.584 -0.076 0.000 1.170 257 A CA 1.124 53.134 52.037 -0.045 0.000 0.636 257 A CB -0.426 18.570 19.000 -0.006 0.000 0.810 257 A HN 0.112 nan 8.150 nan 0.000 0.448 258 R N -0.787 119.644 120.500 -0.115 0.000 2.323 258 R HA 0.061 4.400 4.340 -0.000 0.000 0.198 258 R C 1.721 177.913 176.300 -0.180 0.000 0.988 258 R CA 0.369 56.383 56.100 -0.144 0.000 1.041 258 R CB -0.116 30.079 30.300 -0.174 0.000 0.926 258 R HN 0.507 nan 8.270 nan 0.000 0.476 259 R N 0.859 121.264 120.500 -0.158 0.000 2.193 259 R HA -0.058 4.282 4.340 -0.000 0.000 0.213 259 R C 0.869 177.041 176.300 -0.213 0.000 1.055 259 R CA 0.784 56.785 56.100 -0.166 0.000 0.995 259 R CB 0.163 30.393 30.300 -0.116 0.000 0.893 259 R HN 0.371 nan 8.270 nan 0.000 0.459 260 Q N -0.865 118.810 119.800 -0.209 0.000 2.486 260 Q HA 0.374 4.713 4.340 -0.000 0.000 0.274 260 Q C -0.908 174.893 176.000 -0.332 0.000 1.076 260 Q CA -0.852 54.819 55.803 -0.219 0.000 0.872 260 Q CB 0.962 29.670 28.738 -0.051 0.000 1.383 260 Q HN -0.137 nan 8.270 nan 0.000 0.478 261 F N -0.100 119.893 119.950 0.073 0.000 2.440 261 F HA 0.562 5.089 4.527 -0.000 0.000 0.328 261 F C 0.511 176.367 175.800 0.094 0.000 1.070 261 F CA -0.968 57.067 58.000 0.058 0.000 1.011 261 F CB 1.507 40.550 39.000 0.072 0.000 1.226 261 F HN 0.256 nan 8.300 nan 0.000 0.491 262 R N 1.000 121.635 120.500 0.224 0.000 2.787 262 R HA 0.478 4.818 4.340 -0.000 0.000 0.271 262 R C -1.753 174.582 176.300 0.058 0.000 0.993 262 R CA -1.134 55.073 56.100 0.178 0.000 0.993 262 R CB 1.829 32.197 30.300 0.114 0.000 1.155 262 R HN 0.596 nan 8.270 nan 0.000 0.486 263 Y N -0.592 119.774 120.300 0.111 0.000 2.462 263 Y HA 0.203 4.752 4.550 -0.001 0.000 0.346 263 Y C -0.144 175.801 175.900 0.076 0.000 0.976 263 Y CA -0.752 57.403 58.100 0.092 0.000 1.044 263 Y CB 2.021 40.527 38.460 0.077 0.000 1.230 263 Y HN 0.386 nan 8.280 nan 0.000 0.455 264 D N 2.168 122.669 120.400 0.167 0.000 2.460 264 D HA 0.429 5.068 4.640 -0.000 0.000 0.232 264 D C 0.693 177.082 176.300 0.149 0.000 1.079 264 D CA 0.981 55.059 54.000 0.129 0.000 0.864 264 D CB 0.715 41.566 40.800 0.086 0.000 1.048 264 D HN 0.852 nan 8.370 nan 0.000 0.523 265 G N 5.133 114.015 108.800 0.137 0.000 2.591 265 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.298 265 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.298 265 G C 0.532 175.525 174.900 0.155 0.000 1.195 265 G CA 0.696 45.862 45.100 0.111 0.000 0.989 265 G HN 0.628 nan 8.290 nan 0.000 0.551 266 D N 0.088 120.571 120.400 0.138 0.000 2.395 266 D HA 0.410 5.050 4.640 -0.000 0.000 0.226 266 D C 0.889 177.348 176.300 0.265 0.000 1.146 266 D CA 0.271 54.371 54.000 0.167 0.000 0.830 266 D CB 0.105 40.948 40.800 0.072 0.000 0.958 266 D HN 0.569 nan 8.370 nan 0.000 0.501 267 M N 1.133 120.886 119.600 0.256 0.000 2.149 267 M HA 0.233 4.713 4.480 -0.000 0.000 0.342 267 M C -0.659 175.613 176.300 -0.047 0.000 1.068 267 M CA -0.810 54.580 55.300 0.150 0.000 0.991 267 M CB 1.119 33.781 32.600 0.105 0.000 1.596 267 M HN -0.171 nan 8.290 nan 0.000 0.439 268 N N 4.803 123.334 118.700 -0.282 0.000 2.452 268 N HA 0.019 4.759 4.740 -0.000 0.000 0.266 268 N C 0.172 175.475 175.510 -0.345 0.000 1.209 268 N CA 0.183 52.720 53.050 -0.855 0.000 0.929 268 N CB 0.637 38.767 38.487 -0.595 0.000 1.063 268 N HN 0.744 nan 8.380 nan 0.000 0.472 269 I N 2.364 122.758 120.570 -0.293 0.000 3.883 269 I HA 0.142 4.312 4.170 -0.000 0.000 0.326 269 I C 1.463 177.617 176.117 0.062 0.000 1.283 269 I CA 0.573 61.850 61.300 -0.038 0.000 1.161 269 I CB -1.424 36.574 38.000 -0.002 0.000 1.012 269 I HN 0.773 nan 8.210 nan 0.000 0.421 270 G N 0.830 109.663 108.800 0.056 0.000 2.741 270 G HA2 -0.193 3.766 3.960 -0.000 0.000 0.222 270 G HA3 -0.193 3.766 3.960 -0.000 0.000 0.222 270 G C -0.350 174.716 174.900 0.276 0.000 1.364 270 G CA -0.570 44.660 45.100 0.216 0.000 0.866 270 G HN -0.018 nan 8.290 nan 0.000 0.555 271 V N 0.883 120.922 119.914 0.208 0.000 2.488 271 V HA 0.616 4.736 4.120 -0.000 0.000 0.277 271 V C 0.858 176.994 176.094 0.070 0.000 1.046 271 V CA 0.560 62.891 62.300 0.052 0.000 0.986 271 V CB 0.992 32.783 31.823 -0.053 0.000 0.989 271 V HN 0.893 nan 8.190 nan 0.000 0.475 272 I N 4.339 124.945 120.570 0.060 0.000 2.680 272 I HA 0.423 4.593 4.170 -0.000 0.000 0.291 272 I C 0.361 176.526 176.117 0.080 0.000 1.244 272 I CA -0.246 61.106 61.300 0.086 0.000 1.042 272 I CB 2.524 40.581 38.000 0.094 0.000 1.277 272 I HN 0.773 nan 8.210 nan 0.000 0.423 273 T N 1.548 116.171 114.554 0.114 0.000 2.766 273 T HA 0.189 4.539 4.350 -0.000 0.000 0.295 273 T C 0.706 175.497 174.700 0.151 0.000 1.024 273 T CA -0.162 62.009 62.100 0.119 0.000 1.018 273 T CB 0.910 69.878 68.868 0.168 0.000 1.002 273 T HN 0.573 nan 8.240 nan 0.000 0.532 274 D N -0.194 120.305 120.400 0.165 0.000 2.092 274 D HA -0.056 4.584 4.640 -0.000 0.000 0.193 274 D C 1.471 177.885 176.300 0.190 0.000 0.994 274 D CA 1.100 55.197 54.000 0.161 0.000 0.828 274 D CB -0.504 40.398 40.800 0.170 0.000 0.963 274 D HN 0.610 nan 8.370 nan 0.000 0.450 275 F N 1.604 121.656 119.950 0.170 0.000 2.134 275 F HA -0.147 4.380 4.527 -0.001 0.000 0.299 275 F C 2.128 178.003 175.800 0.125 0.000 1.097 275 F CA 1.434 59.527 58.000 0.154 0.000 1.264 275 F CB 0.001 39.171 39.000 0.282 0.000 1.001 275 F HN -0.064 nan 8.300 nan 0.000 0.479 276 E N -0.120 120.249 120.200 0.281 0.000 2.150 276 E HA -0.217 4.133 4.350 -0.000 0.000 0.193 276 E C 2.017 178.631 176.600 0.024 0.000 0.985 276 E CA 1.142 57.634 56.400 0.155 0.000 0.814 276 E CB -0.317 29.501 29.700 0.196 0.000 0.752 276 E HN 0.379 nan 8.360 nan 0.000 0.466 277 L N 1.483 122.725 121.223 0.032 0.000 2.093 277 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 277 L C 1.808 178.645 176.870 -0.056 0.000 1.085 277 L CA 1.749 56.594 54.840 0.008 0.000 0.755 277 L CB -0.153 41.928 42.059 0.035 0.000 0.904 277 L HN 0.020 nan 8.230 nan 0.000 0.435 278 E N -0.892 119.229 120.200 -0.132 0.000 2.038 278 E HA -0.222 4.127 4.350 -0.000 0.000 0.195 278 E C 2.176 178.645 176.600 -0.218 0.000 1.000 278 E CA 1.693 57.973 56.400 -0.201 0.000 0.803 278 E CB -0.347 29.153 29.700 -0.334 0.000 0.750 278 E HN 0.385 nan 8.360 nan 0.000 0.448 279 V N 1.487 121.214 119.914 -0.311 0.000 2.282 279 V HA -0.332 3.788 4.120 -0.000 0.000 0.249 279 V C 2.524 178.570 176.094 -0.081 0.000 1.057 279 V CA 2.326 64.507 62.300 -0.198 0.000 1.032 279 V CB -0.599 31.138 31.823 -0.143 0.000 0.645 279 V HN 0.266 nan 8.190 nan 0.000 0.447 280 R N 0.332 120.796 120.500 -0.059 0.000 2.080 280 R HA -0.208 4.131 4.340 -0.000 0.000 0.236 280 R C 2.184 178.472 176.300 -0.020 0.000 1.137 280 R CA 2.263 58.347 56.100 -0.026 0.000 0.943 280 R CB -0.392 29.901 30.300 -0.013 0.000 0.846 280 R HN 0.525 nan 8.270 nan 0.000 0.431 281 N N 0.578 119.265 118.700 -0.022 0.000 2.120 281 N HA -0.141 4.599 4.740 -0.000 0.000 0.188 281 N C 1.640 177.147 175.510 -0.006 0.000 1.024 281 N CA 1.654 54.703 53.050 -0.002 0.000 0.852 281 N CB -0.478 38.008 38.487 -0.002 0.000 1.003 281 N HN 0.402 nan 8.380 nan 0.000 0.424 282 A N 1.245 124.046 122.820 -0.031 0.000 1.902 282 A HA -0.062 4.258 4.320 -0.000 0.000 0.217 282 A C 2.388 179.966 177.584 -0.010 0.000 1.181 282 A CA 0.921 52.944 52.037 -0.023 0.000 0.623 282 A CB -0.691 18.282 19.000 -0.045 0.000 0.818 282 A HN 0.200 nan 8.150 nan 0.000 0.443 283 L N -0.420 120.798 121.223 -0.007 0.000 1.976 283 L HA -0.206 4.134 4.340 -0.000 0.000 0.209 283 L C 2.278 179.118 176.870 -0.050 0.000 1.071 283 L CA 1.444 56.287 54.840 0.004 0.000 0.746 283 L CB -0.826 41.260 42.059 0.045 0.000 0.890 283 L HN 0.334 nan 8.230 nan 0.000 0.432 284 N N 0.071 118.727 118.700 -0.073 0.000 2.258 284 N HA -0.222 4.517 4.740 -0.000 0.000 0.187 284 N C 1.824 177.187 175.510 -0.245 0.000 1.012 284 N CA 1.105 54.035 53.050 -0.200 0.000 0.870 284 N CB -0.395 38.032 38.487 -0.101 0.000 0.977 284 N HN 0.307 nan 8.380 nan 0.000 0.434 285 R N 0.925 121.404 120.500 -0.035 0.000 2.066 285 R HA 0.044 4.384 4.340 -0.000 0.000 0.232 285 R C 1.895 178.200 176.300 0.008 0.000 1.131 285 R CA 0.881 57.018 56.100 0.061 0.000 0.955 285 R CB 0.123 30.459 30.300 0.059 0.000 0.851 285 R HN 0.055 nan 8.270 nan 0.000 0.432 286 R N 0.145 120.629 120.500 -0.027 0.000 2.115 286 R HA -0.043 4.297 4.340 -0.000 0.000 0.230 286 R C 2.122 178.386 176.300 -0.059 0.000 1.111 286 R CA 1.224 57.309 56.100 -0.024 0.000 0.976 286 R CB -0.478 29.813 30.300 -0.016 0.000 0.870 286 R HN 0.317 nan 8.270 nan 0.000 0.445 287 A N 0.918 123.653 122.820 -0.140 0.000 1.933 287 A HA -0.167 4.153 4.320 -0.000 0.000 0.218 287 A C 1.803 179.296 177.584 -0.153 0.000 1.175 287 A CA 1.222 53.153 52.037 -0.178 0.000 0.628 287 A CB -0.571 18.271 19.000 -0.264 0.000 0.814 287 A HN 0.289 nan 8.150 nan 0.000 0.444 288 H N -0.334 118.735 119.070 -0.001 0.000 2.389 288 H HA 0.042 4.598 4.556 -0.000 0.000 0.299 288 H C 2.439 177.764 175.328 -0.005 0.000 1.081 288 H CA 1.220 57.267 56.048 -0.002 0.000 1.345 288 H CB -0.620 29.143 29.762 0.002 0.000 1.393 288 H HN 0.513 nan 8.280 nan 0.000 0.520 289 A N 0.534 123.413 122.820 0.099 0.000 2.125 289 A HA -0.021 4.299 4.320 -0.000 0.000 0.219 289 A C 2.349 179.948 177.584 0.025 0.000 1.156 289 A CA 1.017 53.087 52.037 0.054 0.000 0.671 289 A CB -0.332 18.689 19.000 0.034 0.000 0.794 289 A HN 0.236 nan 8.150 nan 0.000 0.459 290 V N -1.527 118.394 119.914 0.011 0.000 3.483 290 V HA 0.403 4.523 4.120 -0.000 0.000 0.301 290 V C 1.470 177.561 176.094 -0.005 0.000 1.389 290 V CA 1.062 63.357 62.300 -0.009 0.000 1.101 290 V CB -0.040 31.764 31.823 -0.031 0.000 0.971 290 V HN 0.996 nan 8.190 nan 0.000 0.434 291 G N 0.027 108.839 108.800 0.019 0.000 2.218 291 G HA2 -0.118 3.841 3.960 -0.000 0.000 0.216 291 G HA3 -0.118 3.841 3.960 -0.000 0.000 0.216 291 G C 0.380 175.298 174.900 0.030 0.000 0.994 291 G CA 0.194 45.308 45.100 0.022 0.000 0.637 291 G HN 1.018 nan 8.290 nan 0.000 0.505 292 A N -0.285 122.546 122.820 0.018 0.000 2.242 292 A HA 0.856 5.176 4.320 -0.000 0.000 0.304 292 A C 0.423 178.055 177.584 0.081 0.000 1.100 292 A CA 0.096 52.137 52.037 0.008 0.000 0.860 292 A CB 0.670 19.638 19.000 -0.053 0.000 1.168 292 A HN 0.427 nan 8.150 nan 0.000 0.503 293 Q N -0.615 119.223 119.800 0.063 0.000 2.699 293 Q HA 0.262 4.602 4.340 -0.000 0.000 0.240 293 Q C -1.159 174.840 176.000 -0.003 0.000 1.033 293 Q CA -1.080 54.836 55.803 0.188 0.000 0.938 293 Q CB 0.573 29.400 28.738 0.148 0.000 1.312 293 Q HN 0.700 nan 8.270 nan 0.000 0.507 294 D N 1.284 121.766 120.400 0.136 0.000 2.531 294 D HA -0.041 4.599 4.640 -0.000 0.000 0.239 294 D C 0.655 176.930 176.300 -0.043 0.000 1.144 294 D CA 0.407 54.402 54.000 -0.009 0.000 0.869 294 D CB 0.931 41.784 40.800 0.088 0.000 1.160 294 D HN 0.385 nan 8.370 nan 0.000 0.484 295 V N 0.540 120.407 119.914 -0.079 0.000 3.523 295 V HA 0.147 4.267 4.120 -0.000 0.000 0.255 295 V C 0.663 176.729 176.094 -0.047 0.000 1.226 295 V CA 0.031 62.299 62.300 -0.053 0.000 1.092 295 V CB 0.286 32.078 31.823 -0.051 0.000 0.817 295 V HN 0.196 nan 8.190 nan 0.000 0.458 296 V N 2.538 122.420 119.914 -0.053 0.000 2.328 296 V HA 0.447 4.567 4.120 -0.000 0.000 0.278 296 V C 0.468 176.490 176.094 -0.121 0.000 1.021 296 V CA -0.117 62.125 62.300 -0.096 0.000 0.838 296 V CB 1.267 33.059 31.823 -0.051 0.000 0.999 296 V HN 0.381 nan 8.190 nan 0.000 0.447 297 Q N 3.691 123.361 119.800 -0.217 0.000 2.282 297 Q HA 0.230 4.570 4.340 -0.000 0.000 0.206 297 Q C 0.450 176.419 176.000 -0.052 0.000 0.878 297 Q CA 0.335 56.071 55.803 -0.111 0.000 0.944 297 Q CB 0.589 29.305 28.738 -0.037 0.000 1.100 297 Q HN 1.018 nan 8.270 nan 0.000 0.509 298 H N -3.969 115.117 119.070 0.026 0.000 2.917 298 H HA 0.523 5.078 4.556 -0.000 0.000 0.269 298 H C -0.207 175.138 175.328 0.029 0.000 1.488 298 H CA -0.652 55.411 56.048 0.024 0.000 1.173 298 H CB 0.339 30.116 29.762 0.025 0.000 1.868 298 H HN -0.034 nan 8.280 nan 0.000 0.600 299 G N 0.041 109.040 108.800 0.332 0.000 2.611 299 G HA2 0.312 4.271 3.960 -0.000 0.000 0.273 299 G HA3 0.312 4.271 3.960 -0.000 0.000 0.273 299 G C -0.309 174.745 174.900 0.256 0.000 1.305 299 G CA -0.159 45.070 45.100 0.215 0.000 1.010 299 G HN 0.542 nan 8.290 nan 0.000 0.509 300 T N -0.585 114.038 114.554 0.115 0.000 2.899 300 T HA 0.122 4.472 4.350 -0.000 0.000 0.295 300 T C 1.491 176.191 174.700 -0.001 0.000 1.033 300 T CA 0.159 62.282 62.100 0.038 0.000 1.084 300 T CB 1.420 70.265 68.868 -0.038 0.000 0.979 300 T HN 0.682 nan 8.240 nan 0.000 0.532 301 E N 1.171 121.343 120.200 -0.046 0.000 2.204 301 E HA -0.159 4.191 4.350 -0.000 0.000 0.195 301 E C 1.723 178.201 176.600 -0.204 0.000 0.990 301 E CA 1.315 57.672 56.400 -0.071 0.000 0.821 301 E CB -0.034 29.647 29.700 -0.032 0.000 0.750 301 E HN 0.380 nan 8.360 nan 0.000 0.477 302 Q N 0.085 119.688 119.800 -0.328 0.000 2.500 302 Q HA -0.004 4.335 4.340 -0.000 0.000 0.213 302 Q C 0.402 176.272 176.000 -0.216 0.000 0.974 302 Q CA 0.666 56.224 55.803 -0.408 0.000 0.918 302 Q CB -0.012 28.342 28.738 -0.639 0.000 0.980 302 Q HN 0.335 nan 8.270 nan 0.000 0.505 303 N N 0.169 118.804 118.700 -0.109 0.000 2.238 303 N HA 0.035 4.775 4.740 -0.000 0.000 0.235 303 N C -0.678 174.800 175.510 -0.054 0.000 1.209 303 N CA -0.054 52.966 53.050 -0.050 0.000 0.879 303 N CB 0.368 38.864 38.487 0.015 0.000 1.136 303 N HN 0.254 nan 8.380 nan 0.000 0.517 304 N N 2.165 120.824 118.700 -0.067 0.000 2.419 304 N HA 0.163 4.903 4.740 -0.000 0.000 0.264 304 N C -1.478 173.972 175.510 -0.100 0.000 1.031 304 N CA -1.548 51.482 53.050 -0.034 0.000 0.951 304 N CB 1.805 40.315 38.487 0.039 0.000 1.101 304 N HN -0.094 nan 8.380 nan 0.000 0.488 305 P HA -0.088 nan 4.420 nan 0.000 0.221 305 P C -0.483 176.576 177.300 -0.401 0.000 1.150 305 P CA 1.040 63.897 63.100 -0.405 0.000 0.800 305 P CB 0.009 31.325 31.700 -0.640 0.000 0.787 306 F N 2.741 122.716 119.950 0.042 0.000 2.441 306 F HA 0.329 4.856 4.527 -0.000 0.000 0.337 306 F C -1.807 174.035 175.800 0.070 0.000 1.182 306 F CA -2.937 55.097 58.000 0.055 0.000 1.279 306 F CB -0.124 38.907 39.000 0.051 0.000 1.614 306 F HN -0.108 nan 8.300 nan 0.000 0.574 307 P HA 0.015 nan 4.420 nan 0.000 0.266 307 P C -0.361 177.078 177.300 0.231 0.000 1.215 307 P CA 0.280 63.512 63.100 0.220 0.000 0.763 307 P CB 0.963 32.819 31.700 0.261 0.000 0.806 308 E N 1.948 122.283 120.200 0.225 0.000 2.242 308 E HA 0.479 4.829 4.350 -0.000 0.000 0.275 308 E C -0.155 176.553 176.600 0.180 0.000 1.002 308 E CA -0.946 55.563 56.400 0.182 0.000 0.841 308 E CB 1.424 31.219 29.700 0.158 0.000 1.109 308 E HN 0.423 nan 8.360 nan 0.000 0.394 309 A N 3.424 126.318 122.820 0.124 0.000 3.056 309 A HA 0.215 4.535 4.320 -0.000 0.000 0.328 309 A C -0.703 176.913 177.584 0.053 0.000 1.233 309 A CA -0.826 51.262 52.037 0.085 0.000 0.965 309 A CB -0.498 18.532 19.000 0.050 0.000 1.123 309 A HN 0.588 nan 8.150 nan 0.000 0.502 310 D N 0.135 120.571 120.400 0.060 0.000 2.377 310 D HA 0.236 4.876 4.640 -0.000 0.000 0.245 310 D C 0.743 177.034 176.300 -0.015 0.000 1.196 310 D CA -0.134 53.880 54.000 0.024 0.000 0.962 310 D CB 0.669 41.489 40.800 0.033 0.000 1.127 310 D HN 0.490 nan 8.370 nan 0.000 0.471 311 E N -0.957 119.221 120.200 -0.036 0.000 2.562 311 E HA 0.061 4.411 4.350 -0.000 0.000 0.214 311 E C -0.310 176.237 176.600 -0.088 0.000 0.979 311 E CA -0.431 55.931 56.400 -0.063 0.000 1.002 311 E CB 0.324 29.997 29.700 -0.046 0.000 1.048 311 E HN 0.113 nan 8.360 nan 0.000 0.488 312 K N 1.255 121.604 120.400 -0.085 0.000 2.324 312 K HA 0.522 4.842 4.320 -0.000 0.000 0.253 312 K C -0.888 175.642 176.600 -0.116 0.000 0.932 312 K CA -0.678 55.552 56.287 -0.095 0.000 0.799 312 K CB 2.409 34.872 32.500 -0.062 0.000 1.154 312 K HN 0.077 nan 8.250 nan 0.000 0.425 313 I N 2.698 123.171 120.570 -0.161 0.000 2.498 313 I HA 0.264 4.434 4.170 -0.000 0.000 0.290 313 I C -0.651 175.430 176.117 -0.061 0.000 1.032 313 I CA -1.071 60.119 61.300 -0.182 0.000 1.073 313 I CB 1.472 39.192 38.000 -0.467 0.000 1.251 313 I HN 0.425 nan 8.210 nan 0.000 0.426 314 F N 8.117 128.012 119.950 -0.092 0.000 2.424 314 F HA 0.503 5.030 4.527 -0.000 0.000 0.356 314 F C -0.611 175.183 175.800 -0.009 0.000 1.110 314 F CA -0.352 57.608 58.000 -0.068 0.000 1.161 314 F CB 0.744 39.711 39.000 -0.057 0.000 1.115 314 F HN 0.028 nan 8.300 nan 0.000 0.507 315 V N 7.162 126.637 119.914 -0.732 0.000 2.448 315 V HA 0.431 4.551 4.120 -0.000 0.000 0.295 315 V C -0.719 174.937 176.094 -0.730 0.000 1.025 315 V CA -0.861 61.057 62.300 -0.637 0.000 0.859 315 V CB 1.620 33.085 31.823 -0.596 0.000 0.988 315 V HN 0.551 nan 8.190 nan 0.000 0.431 316 V N 4.476 124.142 119.914 -0.414 0.000 2.350 316 V HA 0.409 4.529 4.120 -0.000 0.000 0.285 316 V C 0.513 176.566 176.094 -0.068 0.000 1.014 316 V CA -0.322 61.839 62.300 -0.233 0.000 0.831 316 V CB 1.674 33.454 31.823 -0.071 0.000 1.000 316 V HN 1.011 nan 8.190 nan 0.000 0.433 317 S N 4.705 120.372 115.700 -0.054 0.000 2.634 317 S HA 0.502 4.972 4.470 -0.000 0.000 0.261 317 S C 1.473 176.067 174.600 -0.010 0.000 1.271 317 S CA 0.238 58.431 58.200 -0.011 0.000 0.985 317 S CB 1.579 64.792 63.200 0.022 0.000 0.968 317 S HN 1.033 nan 8.310 nan 0.000 0.568 318 A N 0.677 123.465 122.820 -0.054 0.000 2.121 318 A HA 0.060 4.380 4.320 -0.000 0.000 0.218 318 A C 2.141 179.756 177.584 0.053 0.000 1.154 318 A CA 1.536 53.595 52.037 0.037 0.000 0.679 318 A CB -1.480 17.590 19.000 0.116 0.000 0.795 318 A HN 1.144 nan 8.150 nan 0.000 0.458 319 T N -5.160 109.409 114.554 0.025 0.000 3.100 319 T HA 0.405 4.754 4.350 -0.000 0.000 0.253 319 T C 1.422 176.138 174.700 0.027 0.000 1.118 319 T CA 1.117 63.235 62.100 0.030 0.000 1.058 319 T CB 0.264 69.146 68.868 0.023 0.000 0.953 319 T HN 1.524 nan 8.240 nan 0.000 0.515 320 G N 1.237 110.051 108.800 0.024 0.000 2.232 320 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.226 320 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.226 320 G C -0.215 174.692 174.900 0.013 0.000 0.996 320 G CA -0.216 44.899 45.100 0.025 0.000 0.626 320 G HN 0.641 nan 8.290 nan 0.000 0.509 321 E N 1.665 121.866 120.200 0.002 0.000 2.344 321 E HA 0.470 4.819 4.350 -0.000 0.000 0.270 321 E C 0.494 177.059 176.600 -0.059 0.000 1.021 321 E CA 0.502 56.896 56.400 -0.011 0.000 0.887 321 E CB 0.962 30.660 29.700 -0.002 0.000 0.997 321 E HN 0.535 nan 8.360 nan 0.000 0.429 322 S N 3.172 118.838 115.700 -0.057 0.000 2.578 322 S HA 0.591 5.060 4.470 -0.000 0.000 0.301 322 S C -0.528 174.011 174.600 -0.102 0.000 1.091 322 S CA -0.913 57.205 58.200 -0.138 0.000 1.032 322 S CB 1.624 64.850 63.200 0.043 0.000 1.064 322 S HN 0.602 nan 8.310 nan 0.000 0.508 323 Q N 0.674 120.354 119.800 -0.200 0.000 2.829 323 Q HA 0.489 4.828 4.340 -0.000 0.000 0.296 323 Q C -1.803 174.136 176.000 -0.101 0.000 0.893 323 Q CA -1.161 54.577 55.803 -0.108 0.000 0.772 323 Q CB 0.846 29.493 28.738 -0.153 0.000 1.489 323 Q HN 0.540 nan 8.270 nan 0.000 0.420 324 M N 1.404 120.973 119.600 -0.051 0.000 2.537 324 M HA 0.637 5.116 4.480 -0.000 0.000 0.324 324 M C -1.068 175.156 176.300 -0.127 0.000 1.187 324 M CA -0.545 54.728 55.300 -0.047 0.000 0.993 324 M CB 1.384 33.978 32.600 -0.010 0.000 1.666 324 M HN 0.692 nan 8.290 nan 0.000 0.461 325 L N 1.141 122.271 121.223 -0.155 0.000 2.455 325 L HA 0.467 4.807 4.340 -0.000 0.000 0.264 325 L C 0.215 176.989 176.870 -0.161 0.000 0.968 325 L CA -0.842 53.892 54.840 -0.178 0.000 0.827 325 L CB 2.431 44.332 42.059 -0.263 0.000 1.317 325 L HN 0.771 nan 8.230 nan 0.000 0.407 326 T N -2.128 112.351 114.554 -0.125 0.000 2.828 326 T HA 0.194 4.544 4.350 -0.000 0.000 0.290 326 T C 1.034 175.658 174.700 -0.126 0.000 1.019 326 T CA -0.546 61.488 62.100 -0.109 0.000 1.031 326 T CB 1.555 70.376 68.868 -0.077 0.000 1.001 326 T HN 0.709 nan 8.240 nan 0.000 0.531 327 R N 0.632 121.061 120.500 -0.118 0.000 2.139 327 R HA -0.103 4.237 4.340 -0.000 0.000 0.243 327 R C 2.423 178.667 176.300 -0.094 0.000 1.145 327 R CA 1.843 57.872 56.100 -0.119 0.000 0.976 327 R CB -1.097 29.143 30.300 -0.100 0.000 0.866 327 R HN 0.894 nan 8.270 nan 0.000 0.449 328 G N -0.053 108.703 108.800 -0.074 0.000 2.394 328 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.215 328 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.215 328 G C 1.149 176.017 174.900 -0.053 0.000 1.165 328 G CA 0.370 45.437 45.100 -0.055 0.000 0.784 328 G HN 0.421 nan 8.290 nan 0.000 0.535 329 Q N -0.466 119.297 119.800 -0.062 0.000 2.297 329 Q HA 0.083 4.422 4.340 -0.000 0.000 0.204 329 Q C 2.315 178.288 176.000 -0.045 0.000 0.962 329 Q CA 0.492 56.265 55.803 -0.049 0.000 0.879 329 Q CB -0.150 28.548 28.738 -0.065 0.000 0.947 329 Q HN 0.415 nan 8.270 nan 0.000 0.462 330 L N 1.083 122.252 121.223 -0.091 0.000 2.093 330 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 330 L C 1.789 178.615 176.870 -0.073 0.000 1.085 330 L CA 1.797 56.573 54.840 -0.107 0.000 0.755 330 L CB -0.142 41.812 42.059 -0.175 0.000 0.904 330 L HN -0.040 nan 8.230 nan 0.000 0.435 331 K N -0.635 119.718 120.400 -0.079 0.000 2.001 331 K HA -0.128 4.192 4.320 -0.000 0.000 0.208 331 K C 2.019 178.576 176.600 -0.072 0.000 1.048 331 K CA 1.507 57.737 56.287 -0.095 0.000 0.932 331 K CB -0.164 32.296 32.500 -0.065 0.000 0.715 331 K HN 0.299 nan 8.250 nan 0.000 0.437 332 E N 0.076 120.257 120.200 -0.031 0.000 2.110 332 E HA -0.211 4.139 4.350 -0.000 0.000 0.193 332 E C 1.897 178.490 176.600 -0.011 0.000 0.988 332 E CA 1.063 57.452 56.400 -0.019 0.000 0.804 332 E CB -0.218 29.480 29.700 -0.004 0.000 0.745 332 E HN 0.341 nan 8.360 nan 0.000 0.458 333 Y N 1.472 121.701 120.300 -0.118 0.000 2.114 333 Y HA -0.199 4.351 4.550 -0.000 0.000 0.284 333 Y C 2.226 178.038 175.900 -0.146 0.000 1.143 333 Y CA 1.501 59.526 58.100 -0.126 0.000 1.135 333 Y CB -0.365 38.004 38.460 -0.150 0.000 0.980 333 Y HN -0.080 nan 8.280 nan 0.000 0.499 334 I N -0.135 120.367 120.570 -0.113 0.000 2.208 334 I HA -0.327 3.843 4.170 -0.000 0.000 0.245 334 I C 2.629 178.620 176.117 -0.211 0.000 1.097 334 I CA 1.575 62.714 61.300 -0.269 0.000 1.363 334 I CB -1.101 36.630 38.000 -0.450 0.000 1.051 334 I HN 0.429 nan 8.210 nan 0.000 0.413 335 G N -0.110 108.603 108.800 -0.146 0.000 2.418 335 G HA2 -0.256 3.703 3.960 -0.000 0.000 0.217 335 G HA3 -0.256 3.703 3.960 -0.000 0.000 0.217 335 G C 1.565 176.419 174.900 -0.076 0.000 1.158 335 G CA 0.476 45.534 45.100 -0.070 0.000 0.771 335 G HN 0.399 nan 8.290 nan 0.000 0.545 336 Q N -0.550 119.168 119.800 -0.136 0.000 2.050 336 Q HA -0.095 4.245 4.340 -0.000 0.000 0.202 336 Q C 2.902 178.805 176.000 -0.162 0.000 0.980 336 Q CA 1.258 56.976 55.803 -0.142 0.000 0.840 336 Q CB -0.135 28.490 28.738 -0.189 0.000 0.898 336 Q HN 0.321 nan 8.270 nan 0.000 0.424 337 Q N 0.407 120.019 119.800 -0.314 0.000 2.096 337 Q HA -0.139 4.201 4.340 -0.000 0.000 0.204 337 Q C 2.025 178.064 176.000 0.064 0.000 0.982 337 Q CA 1.349 57.020 55.803 -0.220 0.000 0.850 337 Q CB -0.236 28.216 28.738 -0.476 0.000 0.901 337 Q HN 0.348 nan 8.270 nan 0.000 0.422 338 R N -0.404 120.117 120.500 0.035 0.000 2.105 338 R HA -0.109 4.230 4.340 -0.000 0.000 0.239 338 R C 2.269 178.615 176.300 0.078 0.000 1.135 338 R CA 1.217 57.378 56.100 0.102 0.000 0.967 338 R CB -0.604 29.765 30.300 0.116 0.000 0.861 338 R HN 0.341 nan 8.270 nan 0.000 0.442 339 G N 0.902 109.731 108.800 0.048 0.000 2.448 339 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.219 339 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.219 339 G C 0.950 175.884 174.900 0.056 0.000 1.127 339 G CA 0.375 45.499 45.100 0.040 0.000 0.766 339 G HN 0.375 nan 8.290 nan 0.000 0.552 340 E N -0.377 119.886 120.200 0.106 0.000 2.437 340 E HA 0.324 4.674 4.350 -0.000 0.000 0.189 340 E C 1.571 178.244 176.600 0.122 0.000 1.054 340 E CA 0.150 56.644 56.400 0.156 0.000 0.874 340 E CB 0.093 29.944 29.700 0.252 0.000 1.011 340 E HN 0.372 nan 8.360 nan 0.000 0.474 341 G N 0.779 109.590 108.800 0.018 0.000 2.157 341 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.248 341 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.248 341 G C -0.305 174.346 174.900 -0.414 0.000 0.979 341 G CA -0.281 44.686 45.100 -0.223 0.000 0.650 341 G HN 0.271 nan 8.290 nan 0.000 0.529 342 Y N 0.061 120.356 120.300 -0.008 0.000 2.316 342 Y HA 0.500 5.050 4.550 -0.000 0.000 0.331 342 Y C 1.021 176.950 175.900 0.048 0.000 1.083 342 Y CA -0.667 57.452 58.100 0.032 0.000 1.206 342 Y CB 1.499 40.009 38.460 0.084 0.000 1.195 342 Y HN 0.061 nan 8.280 nan 0.000 0.497 343 V N 5.161 125.179 119.914 0.173 0.000 2.607 343 V HA 0.240 4.359 4.120 -0.000 0.000 0.289 343 V C -0.618 175.670 176.094 0.324 0.000 1.053 343 V CA -0.565 61.840 62.300 0.175 0.000 0.996 343 V CB 1.059 32.909 31.823 0.045 0.000 0.995 343 V HN 0.593 nan 8.190 nan 0.000 0.476 344 F N 6.037 126.095 119.950 0.180 0.000 2.596 344 F HA 0.687 5.214 4.527 -0.000 0.000 0.311 344 F C -1.104 174.903 175.800 0.345 0.000 1.116 344 F CA -1.048 57.063 58.000 0.186 0.000 0.957 344 F CB 1.597 40.672 39.000 0.125 0.000 1.250 344 F HN 0.546 nan 8.300 nan 0.000 0.444 345 Y N 2.757 122.600 120.300 -0.761 0.000 2.499 345 Y HA 0.712 5.262 4.550 -0.000 0.000 0.347 345 Y C -1.175 174.120 175.900 -1.009 0.000 0.987 345 Y CA -1.194 56.564 58.100 -0.570 0.000 1.044 345 Y CB 1.189 39.453 38.460 -0.326 0.000 1.245 345 Y HN 0.708 nan 8.280 nan 0.000 0.461 346 E N 1.844 121.840 120.200 -0.340 0.000 2.222 346 E HA 0.236 4.586 4.350 -0.000 0.000 0.272 346 E C -0.749 175.666 176.600 -0.308 0.000 0.982 346 E CA -1.149 55.059 56.400 -0.320 0.000 0.842 346 E CB 1.189 31.027 29.700 0.231 0.000 1.144 346 E HN 0.678 nan 8.360 nan 0.000 0.397 347 N N 1.640 119.941 118.700 -0.665 0.000 2.294 347 N HA -0.120 4.620 4.740 -0.000 0.000 0.263 347 N C 0.508 175.738 175.510 -0.467 0.000 1.281 347 N CA 0.395 53.028 53.050 -0.695 0.000 0.846 347 N CB 0.508 38.252 38.487 -1.238 0.000 1.061 347 N HN 0.550 nan 8.380 nan 0.000 0.478 348 R N 2.976 123.338 120.500 -0.229 0.000 2.200 348 R HA -0.137 4.203 4.340 -0.000 0.000 0.234 348 R C 1.321 177.578 176.300 -0.071 0.000 1.127 348 R CA 1.605 57.633 56.100 -0.119 0.000 0.989 348 R CB -0.084 30.158 30.300 -0.097 0.000 0.869 348 R HN 0.617 nan 8.270 nan 0.000 0.459 349 A N -0.488 122.280 122.820 -0.087 0.000 2.275 349 A HA 0.050 4.370 4.320 -0.000 0.000 0.212 349 A C 1.294 178.977 177.584 0.165 0.000 1.201 349 A CA -0.082 51.969 52.037 0.023 0.000 0.843 349 A CB -0.276 18.736 19.000 0.019 0.000 0.873 349 A HN 0.342 nan 8.150 nan 0.000 0.492 350 Y N -0.358 119.977 120.300 0.058 0.000 2.242 350 Y HA -0.179 4.371 4.550 -0.000 0.000 0.291 350 Y C 2.672 178.621 175.900 0.081 0.000 1.137 350 Y CA 0.385 58.533 58.100 0.081 0.000 1.181 350 Y CB -0.124 38.404 38.460 0.113 0.000 0.989 350 Y HN 0.486 nan 8.280 nan 0.000 0.527 351 G N -0.172 108.769 108.800 0.236 0.000 2.453 351 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.215 351 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.215 351 G C 1.567 176.533 174.900 0.111 0.000 1.201 351 G CA 1.024 46.219 45.100 0.158 0.000 0.784 351 G HN 0.209 nan 8.290 nan 0.000 0.545 352 V N 1.255 121.223 119.914 0.090 0.000 3.099 352 V HA -0.020 4.100 4.120 -0.000 0.000 0.269 352 V C 2.630 178.766 176.094 0.070 0.000 1.150 352 V CA 1.739 64.079 62.300 0.066 0.000 1.165 352 V CB -0.303 31.551 31.823 0.051 0.000 0.756 352 V HN 0.524 nan 8.190 nan 0.000 0.527 353 A N -1.252 121.623 122.820 0.091 0.000 2.431 353 A HA 0.530 4.849 4.320 -0.000 0.000 0.239 353 A C 1.661 179.286 177.584 0.067 0.000 1.230 353 A CA 0.665 52.750 52.037 0.079 0.000 0.928 353 A CB 0.288 19.346 19.000 0.098 0.000 1.006 353 A HN 1.146 nan 8.150 nan 0.000 0.520 354 G N 0.305 109.150 108.800 0.075 0.000 2.198 354 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.257 354 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.257 354 G C 0.177 175.108 174.900 0.050 0.000 1.042 354 G CA 0.525 45.662 45.100 0.061 0.000 0.791 354 G HN 0.287 nan 8.290 nan 0.000 0.502 355 K N 0.368 120.804 120.400 0.061 0.000 2.792 355 K HA 0.324 4.644 4.320 -0.000 0.000 0.207 355 K C 0.661 177.276 176.600 0.024 0.000 1.103 355 K CA 0.091 56.375 56.287 -0.005 0.000 1.048 355 K CB 0.758 33.201 32.500 -0.096 0.000 0.777 355 K HN 0.403 nan 8.250 nan 0.000 0.468 356 S N 0.812 116.599 115.700 0.143 0.000 2.564 356 S HA 0.226 4.696 4.470 -0.000 0.000 0.278 356 S C 1.098 175.798 174.600 0.168 0.000 1.333 356 S CA -0.423 57.930 58.200 0.254 0.000 1.048 356 S CB 0.446 63.821 63.200 0.291 0.000 0.900 356 S HN 0.324 nan 8.310 nan 0.000 0.505 357 L N 3.936 125.258 121.223 0.165 0.000 2.591 357 L HA 0.287 4.627 4.340 -0.000 0.000 0.228 357 L C -0.332 176.440 176.870 -0.163 0.000 1.133 357 L CA 0.012 54.836 54.840 -0.027 0.000 0.880 357 L CB -0.270 41.757 42.059 -0.054 0.000 1.033 357 L HN 0.528 nan 8.230 nan 0.000 0.450 358 F N -0.475 119.578 119.950 0.171 0.000 2.404 358 F HA 0.189 4.716 4.527 -0.000 0.000 0.339 358 F C 1.022 176.876 175.800 0.089 0.000 1.105 358 F CA -0.469 57.611 58.000 0.134 0.000 1.087 358 F CB 1.103 40.186 39.000 0.138 0.000 1.143 358 F HN -0.194 nan 8.300 nan 0.000 0.491 359 D N 1.606 122.159 120.400 0.255 0.000 2.643 359 D HA 0.059 4.699 4.640 -0.000 0.000 0.244 359 D C -0.319 176.065 176.300 0.141 0.000 1.257 359 D CA -0.018 54.075 54.000 0.155 0.000 0.831 359 D CB -0.233 40.626 40.800 0.099 0.000 1.043 359 D HN 0.596 nan 8.370 nan 0.000 0.488 360 D N -2.460 118.041 120.400 0.168 0.000 2.539 360 D HA 0.242 4.882 4.640 -0.000 0.000 0.280 360 D C 1.720 178.058 176.300 0.064 0.000 1.208 360 D CA -0.484 53.576 54.000 0.101 0.000 1.088 360 D CB -0.362 40.487 40.800 0.082 0.000 1.149 360 D HN -0.095 nan 8.370 nan 0.000 0.596 361 G N -1.318 107.502 108.800 0.032 0.000 2.448 361 G HA2 -0.110 3.849 3.960 -0.000 0.000 0.219 361 G HA3 -0.110 3.849 3.960 -0.000 0.000 0.219 361 G C 1.142 176.053 174.900 0.017 0.000 1.127 361 G CA 0.962 46.074 45.100 0.020 0.000 0.766 361 G HN 0.673 nan 8.290 nan 0.000 0.552 362 L N -2.252 118.973 121.223 0.004 0.000 4.884 362 L HA -0.129 4.210 4.340 -0.000 0.000 0.430 362 L C 0.751 177.607 176.870 -0.024 0.000 1.087 362 L CA 1.384 56.220 54.840 -0.007 0.000 1.033 362 L CB -1.162 40.927 42.059 0.049 0.000 2.030 362 L HN 0.619 nan 8.230 nan 0.000 0.762 363 G N -2.805 105.980 108.800 -0.026 0.000 2.782 363 G HA2 0.852 4.812 3.960 -0.000 0.000 0.304 363 G HA3 0.852 4.812 3.960 -0.000 0.000 0.304 363 G C -0.982 173.897 174.900 -0.034 0.000 1.315 363 G CA -0.105 44.978 45.100 -0.029 0.000 0.791 363 G HN 0.716 nan 8.290 nan 0.000 0.519 364 A N 0.000 122.801 122.820 -0.031 0.000 2.254 364 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 364 A CA 0.000 52.017 52.037 -0.033 0.000 0.836 364 A CB 0.000 18.977 19.000 -0.038 0.000 0.831 364 A HN 0.000 nan 8.150 nan 0.000 0.486