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 2zr3_1_B DATA FIRST_RESID 1 DATA SEQUENCE MLDIKLIREN PELVKNDLIK RGELEKVKWV DEILKLDTEW RTKLKEINRL DATA SEQUENCE RHERNKIAVE IGKRRKKGEP VDELLAKSRE IVKRIGELEN EVEELKKKID DATA SEQUENCE YYLWRLPNIT HPSVPVGKDE NDNVPIRFWG KARVWKGHLE RFLEQSQGKM DATA SEQUENCE EYEILEWKPK LHVDLLEILG GADFARAAKV SGSRFYYLLN EIVILDLALI DATA SEQUENCE RFALDRLIEK GFTPVIPPYM VRRFVEEGST SFEDFEDVIY KVEDEDLYLI DATA SEQUENCE PTAEHPLAGM HANEILDGKD LPLLYVGVSP CFRKEAGTAG KDTKGIFRVH DATA SEQUENCE QFHKVEQFVY SRPEESWEWH EKIIRNAEEL FQELEIPYRV VNICTGDLGY DATA SEQUENCE VAAKKYDIEA WMPGQGKFRE VVSASNCTDW QARRLNIRFR DRTDEKPRYV DATA SEQUENCE HTLNSTAIAT SRAIVAILEN HQEEDGTVRI PKVLWKYTGF KEIVPVEK 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 175.868 176.300 -0.720 0.000 1.140 1 M CA 0.000 54.521 55.300 -1.298 0.000 0.988 1 M CB 0.000 31.750 32.600 -1.417 0.000 1.302 2 L N 3.322 124.309 121.223 -0.393 0.000 2.371 2 L HA 0.401 4.742 4.340 0.001 0.000 0.272 2 L C -0.113 176.648 176.870 -0.182 0.000 1.124 2 L CA 0.517 55.245 54.840 -0.187 0.000 0.816 2 L CB 0.962 42.983 42.059 -0.063 0.000 1.129 2 L HN 0.592 nan 8.230 nan 0.000 0.448 3 D N 2.463 122.791 120.400 -0.119 0.000 2.371 3 D HA -0.016 4.625 4.640 0.001 0.000 0.256 3 D C 1.292 177.570 176.300 -0.038 0.000 1.193 3 D CA 0.290 54.245 54.000 -0.074 0.000 0.881 3 D CB 0.518 41.307 40.800 -0.019 0.000 1.143 3 D HN 0.538 nan 8.370 nan 0.000 0.473 4 I N 3.734 124.280 120.570 -0.039 0.000 2.423 4 I HA -0.276 3.895 4.170 0.001 0.000 0.254 4 I C 1.656 177.778 176.117 0.009 0.000 1.151 4 I CA 1.184 62.470 61.300 -0.022 0.000 1.421 4 I CB 0.184 38.154 38.000 -0.049 0.000 1.079 4 I HN 0.373 nan 8.210 nan 0.000 0.431 5 K N 0.328 120.741 120.400 0.022 0.000 2.209 5 K HA -0.154 4.167 4.320 0.001 0.000 0.204 5 K C 2.031 178.650 176.600 0.033 0.000 1.048 5 K CA 1.010 57.320 56.287 0.039 0.000 0.940 5 K CB -0.100 32.430 32.500 0.050 0.000 0.729 5 K HN 0.392 nan 8.250 nan 0.000 0.451 6 L N 0.654 121.891 121.223 0.023 0.000 2.056 6 L HA -0.146 4.195 4.340 0.001 0.000 0.207 6 L C 1.792 178.673 176.870 0.018 0.000 1.078 6 L CA 1.496 56.349 54.840 0.021 0.000 0.749 6 L CB -0.129 41.938 42.059 0.014 0.000 0.901 6 L HN 0.142 nan 8.230 nan 0.000 0.433 7 I N -0.217 120.362 120.570 0.016 0.000 2.493 7 I HA -0.200 3.971 4.170 0.001 0.000 0.254 7 I C 2.708 178.840 176.117 0.025 0.000 1.160 7 I CA 1.056 62.367 61.300 0.019 0.000 1.445 7 I CB -0.465 37.547 38.000 0.020 0.000 1.086 7 I HN 0.156 nan 8.210 nan 0.000 0.433 8 R N 0.312 120.831 120.500 0.030 0.000 2.055 8 R HA -0.044 4.296 4.340 0.001 0.000 0.226 8 R C 2.118 178.437 176.300 0.033 0.000 1.135 8 R CA 1.259 57.382 56.100 0.038 0.000 0.959 8 R CB -0.338 29.992 30.300 0.051 0.000 0.854 8 R HN 0.417 nan 8.270 nan 0.000 0.431 9 E N 0.325 120.544 120.200 0.032 0.000 2.150 9 E HA -0.053 4.298 4.350 0.001 0.000 0.193 9 E C 0.369 176.982 176.600 0.021 0.000 0.985 9 E CA 0.675 57.092 56.400 0.028 0.000 0.814 9 E CB 0.124 29.842 29.700 0.030 0.000 0.752 9 E HN 0.237 nan 8.360 nan 0.000 0.466 10 N N 0.264 118.976 118.700 0.018 0.000 2.646 10 N HA 0.082 4.823 4.740 0.001 0.000 0.303 10 N C -2.137 173.377 175.510 0.007 0.000 1.921 10 N CA -0.713 52.344 53.050 0.012 0.000 0.872 10 N CB 1.202 39.695 38.487 0.011 0.000 1.327 10 N HN 0.038 nan 8.380 nan 0.000 0.492 11 P HA -0.214 nan 4.420 nan 0.000 0.217 11 P C 1.211 178.509 177.300 -0.003 0.000 1.158 11 P CA 1.437 64.541 63.100 0.006 0.000 0.887 11 P CB 0.660 32.366 31.700 0.010 0.000 0.792 12 E N -0.096 120.102 120.200 -0.004 0.000 2.085 12 E HA -0.160 4.191 4.350 0.001 0.000 0.194 12 E C 2.185 178.774 176.600 -0.017 0.000 0.994 12 E CA 0.702 57.095 56.400 -0.011 0.000 0.801 12 E CB -1.325 28.370 29.700 -0.009 0.000 0.743 12 E HN 0.172 nan 8.360 nan 0.000 0.453 13 L N -0.322 120.893 121.223 -0.014 0.000 2.013 13 L HA -0.192 4.149 4.340 0.001 0.000 0.212 13 L C 2.438 179.293 176.870 -0.026 0.000 1.073 13 L CA 1.907 56.735 54.840 -0.020 0.000 0.753 13 L CB -0.379 41.673 42.059 -0.012 0.000 0.890 13 L HN 0.244 nan 8.230 nan 0.000 0.432 14 V N -1.091 118.810 119.914 -0.022 0.000 2.453 14 V HA -0.246 3.875 4.120 0.001 0.000 0.247 14 V C 2.456 178.523 176.094 -0.045 0.000 1.048 14 V CA 1.885 64.167 62.300 -0.030 0.000 1.049 14 V CB -0.426 31.387 31.823 -0.017 0.000 0.672 14 V HN 0.503 nan 8.190 nan 0.000 0.457 15 K N 0.622 120.999 120.400 -0.038 0.000 2.032 15 K HA -0.192 4.129 4.320 0.001 0.000 0.209 15 K C 2.075 178.642 176.600 -0.055 0.000 1.048 15 K CA 2.345 58.603 56.287 -0.048 0.000 0.927 15 K CB -0.446 32.033 32.500 -0.035 0.000 0.712 15 K HN 0.663 nan 8.250 nan 0.000 0.441 16 N N 0.559 119.231 118.700 -0.046 0.000 2.166 16 N HA -0.182 4.558 4.740 0.001 0.000 0.186 16 N C 1.521 176.996 175.510 -0.058 0.000 1.019 16 N CA 1.216 54.237 53.050 -0.048 0.000 0.856 16 N CB -0.075 38.387 38.487 -0.041 0.000 0.993 16 N HN 0.213 nan 8.380 nan 0.000 0.426 17 D N 0.850 121.213 120.400 -0.061 0.000 2.123 17 D HA -0.034 4.607 4.640 0.001 0.000 0.200 17 D C 1.997 178.244 176.300 -0.088 0.000 0.976 17 D CA 0.590 54.547 54.000 -0.071 0.000 0.831 17 D CB 0.077 40.836 40.800 -0.069 0.000 0.974 17 D HN 0.118 nan 8.370 nan 0.000 0.469 18 L N 0.119 121.284 121.223 -0.098 0.000 2.042 18 L HA -0.157 4.183 4.340 0.001 0.000 0.210 18 L C 2.450 179.256 176.870 -0.107 0.000 1.076 18 L CA 0.817 55.581 54.840 -0.126 0.000 0.749 18 L CB -0.333 41.640 42.059 -0.143 0.000 0.893 18 L HN 0.199 nan 8.230 nan 0.000 0.432 19 I N -0.420 120.099 120.570 -0.085 0.000 2.179 19 I HA -0.324 3.846 4.170 0.001 0.000 0.242 19 I C 2.509 178.588 176.117 -0.063 0.000 1.088 19 I CA 1.417 62.675 61.300 -0.070 0.000 1.357 19 I CB -0.322 37.645 38.000 -0.056 0.000 1.051 19 I HN 0.181 nan 8.210 nan 0.000 0.409 20 K N 0.511 120.874 120.400 -0.062 0.000 2.113 20 K HA -0.196 4.125 4.320 0.001 0.000 0.208 20 K C 2.153 178.718 176.600 -0.057 0.000 1.047 20 K CA 1.394 57.648 56.287 -0.056 0.000 0.928 20 K CB -0.229 32.237 32.500 -0.058 0.000 0.716 20 K HN 0.288 nan 8.250 nan 0.000 0.446 21 R N -0.280 120.177 120.500 -0.072 0.000 2.280 21 R HA -0.022 4.319 4.340 0.001 0.000 0.207 21 R C 0.816 177.082 176.300 -0.058 0.000 1.043 21 R CA 0.572 56.628 56.100 -0.073 0.000 1.006 21 R CB 0.057 30.291 30.300 -0.111 0.000 0.885 21 R HN 0.385 nan 8.270 nan 0.000 0.467 22 G N 1.811 110.576 108.800 -0.059 0.000 2.295 22 G HA2 -0.297 3.664 3.960 0.001 0.000 0.287 22 G HA3 -0.297 3.664 3.960 0.001 0.000 0.287 22 G C -0.154 174.712 174.900 -0.055 0.000 1.055 22 G CA 0.373 45.443 45.100 -0.049 0.000 0.922 22 G HN 0.362 nan 8.290 nan 0.000 0.503 23 E N -0.416 119.732 120.200 -0.087 0.000 3.012 23 E HA 0.530 4.881 4.350 0.001 0.000 0.228 23 E C 2.007 178.522 176.600 -0.141 0.000 1.184 23 E CA -0.480 55.851 56.400 -0.114 0.000 1.407 23 E CB -0.227 29.373 29.700 -0.166 0.000 1.438 23 E HN 0.409 nan 8.360 nan 0.000 0.435 24 L N 0.458 121.623 121.223 -0.097 0.000 2.189 24 L HA -0.210 4.131 4.340 0.001 0.000 0.214 24 L C 2.090 178.894 176.870 -0.110 0.000 1.097 24 L CA 1.157 55.944 54.840 -0.089 0.000 0.764 24 L CB -0.141 41.886 42.059 -0.054 0.000 0.900 24 L HN 0.349 nan 8.230 nan 0.000 0.436 25 E N 0.827 120.952 120.200 -0.124 0.000 2.047 25 E HA -0.182 4.168 4.350 0.001 0.000 0.191 25 E C 2.031 178.453 176.600 -0.296 0.000 0.987 25 E CA 1.428 57.748 56.400 -0.133 0.000 0.799 25 E CB 0.002 29.655 29.700 -0.078 0.000 0.752 25 E HN 0.270 nan 8.360 nan 0.000 0.449 26 K N -0.057 120.036 120.400 -0.513 0.000 2.362 26 K HA -0.043 4.278 4.320 0.001 0.000 0.200 26 K C 1.967 178.216 176.600 -0.584 0.000 1.046 26 K CA 0.889 56.567 56.287 -1.015 0.000 0.952 26 K CB 0.015 31.851 32.500 -1.106 0.000 0.753 26 K HN 0.058 nan 8.250 nan 0.000 0.466 27 V N 1.974 121.707 119.914 -0.303 0.000 2.453 27 V HA -0.292 3.828 4.120 0.001 0.000 0.252 27 V C 1.987 178.025 176.094 -0.093 0.000 1.068 27 V CA 1.737 63.940 62.300 -0.161 0.000 1.070 27 V CB -0.541 31.217 31.823 -0.108 0.000 0.664 27 V HN 0.331 nan 8.190 nan 0.000 0.461 28 K N -0.979 119.371 120.400 -0.083 0.000 2.103 28 K HA -0.219 4.102 4.320 0.001 0.000 0.207 28 K C 1.974 178.634 176.600 0.100 0.000 1.048 28 K CA 1.930 58.231 56.287 0.023 0.000 0.930 28 K CB -0.333 32.213 32.500 0.077 0.000 0.716 28 K HN 0.481 nan 8.250 nan 0.000 0.444 29 W N 0.942 122.130 121.300 -0.187 0.000 2.321 29 W HA -0.179 4.481 4.660 0.001 0.000 0.306 29 W C 2.076 178.433 176.519 -0.270 0.000 1.217 29 W CA 0.370 57.491 57.345 -0.374 0.000 1.257 29 W CB -1.332 27.885 29.460 -0.404 0.000 1.145 29 W HN -0.167 nan 8.180 nan 0.000 0.509 30 V N 0.787 120.748 119.914 0.079 0.000 2.324 30 V HA -0.322 3.799 4.120 0.001 0.000 0.250 30 V C 2.038 178.140 176.094 0.014 0.000 1.060 30 V CA 2.366 64.687 62.300 0.034 0.000 1.042 30 V CB -0.847 30.985 31.823 0.015 0.000 0.650 30 V HN 0.121 nan 8.190 nan 0.000 0.450 31 D N -0.645 119.762 120.400 0.011 0.000 2.149 31 D HA -0.149 4.492 4.640 0.001 0.000 0.201 31 D C 2.175 178.478 176.300 0.004 0.000 0.972 31 D CA 1.288 55.294 54.000 0.011 0.000 0.835 31 D CB 0.001 40.810 40.800 0.014 0.000 0.966 31 D HN 0.500 nan 8.370 nan 0.000 0.476 32 E N 1.272 121.457 120.200 -0.025 0.000 2.051 32 E HA -0.130 4.221 4.350 0.001 0.000 0.192 32 E C 2.205 178.790 176.600 -0.026 0.000 0.991 32 E CA 0.778 57.150 56.400 -0.048 0.000 0.799 32 E CB -0.339 29.260 29.700 -0.169 0.000 0.748 32 E HN 0.247 nan 8.360 nan 0.000 0.449 33 I N 0.207 120.742 120.570 -0.058 0.000 2.099 33 I HA -0.318 3.853 4.170 0.001 0.000 0.239 33 I C 2.452 178.593 176.117 0.039 0.000 1.066 33 I CA 1.139 62.450 61.300 0.018 0.000 1.324 33 I CB -0.417 37.598 38.000 0.025 0.000 1.037 33 I HN 0.171 nan 8.210 nan 0.000 0.401 34 L N 0.638 121.880 121.223 0.033 0.000 1.997 34 L HA -0.323 4.017 4.340 0.001 0.000 0.216 34 L C 2.713 179.619 176.870 0.060 0.000 1.074 34 L CA 1.772 56.640 54.840 0.046 0.000 0.763 34 L CB -0.698 41.383 42.059 0.037 0.000 0.890 34 L HN 0.298 nan 8.230 nan 0.000 0.434 35 K N 0.621 121.052 120.400 0.051 0.000 1.987 35 K HA -0.231 4.090 4.320 0.001 0.000 0.216 35 K C 2.155 178.805 176.600 0.082 0.000 1.051 35 K CA 1.782 58.104 56.287 0.059 0.000 0.942 35 K CB -0.296 32.232 32.500 0.047 0.000 0.722 35 K HN 0.210 nan 8.250 nan 0.000 0.444 36 L N 0.826 122.101 121.223 0.086 0.000 2.079 36 L HA -0.217 4.124 4.340 0.001 0.000 0.210 36 L C 2.346 179.311 176.870 0.158 0.000 1.081 36 L CA 1.718 56.624 54.840 0.111 0.000 0.752 36 L CB -0.533 41.586 42.059 0.100 0.000 0.896 36 L HN 0.433 nan 8.230 nan 0.000 0.433 37 D N -0.835 119.646 120.400 0.134 0.000 2.219 37 D HA -0.152 4.489 4.640 0.001 0.000 0.205 37 D C 1.892 178.367 176.300 0.292 0.000 0.970 37 D CA 1.420 55.537 54.000 0.195 0.000 0.851 37 D CB 0.254 41.119 40.800 0.108 0.000 0.943 37 D HN 0.181 nan 8.370 nan 0.000 0.488 38 T N -0.582 114.083 114.554 0.185 0.000 2.770 38 T HA -0.112 4.239 4.350 0.001 0.000 0.263 38 T C 1.719 176.502 174.700 0.139 0.000 1.039 38 T CA 1.031 63.218 62.100 0.146 0.000 1.142 38 T CB -0.367 68.556 68.868 0.093 0.000 0.868 38 T HN 0.265 nan 8.240 nan 0.000 0.435 39 E N -0.258 120.025 120.200 0.140 0.000 2.085 39 E HA -0.194 4.157 4.350 0.001 0.000 0.194 39 E C 1.944 178.630 176.600 0.144 0.000 0.994 39 E CA 1.185 57.654 56.400 0.115 0.000 0.801 39 E CB -0.170 29.596 29.700 0.110 0.000 0.743 39 E HN 0.627 nan 8.360 nan 0.000 0.453 40 W N 1.504 122.818 121.300 0.024 0.000 2.332 40 W HA -0.168 4.493 4.660 0.001 0.000 0.321 40 W C 2.252 178.783 176.519 0.021 0.000 1.219 40 W CA 2.033 59.392 57.345 0.024 0.000 1.277 40 W CB -0.278 29.201 29.460 0.032 0.000 1.161 40 W HN -0.084 nan 8.180 nan 0.000 0.476 41 R N -0.625 119.901 120.500 0.044 0.000 2.105 41 R HA -0.137 4.203 4.340 0.001 0.000 0.239 41 R C 2.183 178.374 176.300 -0.182 0.000 1.135 41 R CA 2.120 58.101 56.100 -0.197 0.000 0.967 41 R CB -0.993 29.338 30.300 0.051 0.000 0.861 41 R HN 0.184 nan 8.270 nan 0.000 0.442 42 T N 1.061 115.573 114.554 -0.071 0.000 2.674 42 T HA -0.112 4.238 4.350 0.001 0.000 0.265 42 T C 1.614 176.258 174.700 -0.092 0.000 1.039 42 T CA 1.190 63.255 62.100 -0.059 0.000 1.150 42 T CB -0.049 68.812 68.868 -0.011 0.000 0.864 42 T HN 0.253 nan 8.240 nan 0.000 0.427 43 K N 0.531 120.875 120.400 -0.093 0.000 2.211 43 K HA -0.033 4.288 4.320 0.001 0.000 0.204 43 K C 2.030 178.536 176.600 -0.156 0.000 1.047 43 K CA 0.680 56.909 56.287 -0.096 0.000 0.935 43 K CB -0.260 32.203 32.500 -0.061 0.000 0.728 43 K HN 0.139 nan 8.250 nan 0.000 0.452 44 L N 1.521 122.580 121.223 -0.272 0.000 2.156 44 L HA -0.107 4.234 4.340 0.001 0.000 0.208 44 L C 2.177 178.927 176.870 -0.200 0.000 1.095 44 L CA 1.642 56.289 54.840 -0.322 0.000 0.770 44 L CB -0.489 41.221 42.059 -0.581 0.000 0.914 44 L HN 0.003 nan 8.230 nan 0.000 0.439 45 K N -0.018 120.284 120.400 -0.163 0.000 1.984 45 K HA -0.185 4.136 4.320 0.001 0.000 0.209 45 K C 2.034 178.591 176.600 -0.073 0.000 1.046 45 K CA 1.414 57.638 56.287 -0.105 0.000 0.934 45 K CB -0.172 32.280 32.500 -0.080 0.000 0.717 45 K HN 0.354 nan 8.250 nan 0.000 0.438 46 E N 0.374 120.536 120.200 -0.063 0.000 2.118 46 E HA -0.171 4.180 4.350 0.001 0.000 0.195 46 E C 2.133 178.712 176.600 -0.035 0.000 0.992 46 E CA 0.976 57.352 56.400 -0.039 0.000 0.804 46 E CB -0.039 29.641 29.700 -0.033 0.000 0.741 46 E HN 0.271 nan 8.360 nan 0.000 0.458 47 I N 1.190 121.728 120.570 -0.053 0.000 2.099 47 I HA -0.339 3.832 4.170 0.001 0.000 0.239 47 I C 2.144 178.245 176.117 -0.028 0.000 1.066 47 I CA 1.323 62.598 61.300 -0.043 0.000 1.324 47 I CB -0.533 37.430 38.000 -0.061 0.000 1.037 47 I HN 0.206 nan 8.210 nan 0.000 0.401 48 N N 0.437 119.113 118.700 -0.039 0.000 2.149 48 N HA -0.235 4.506 4.740 0.001 0.000 0.188 48 N C 2.014 177.532 175.510 0.013 0.000 1.019 48 N CA 0.919 53.956 53.050 -0.022 0.000 0.857 48 N CB -0.244 38.214 38.487 -0.048 0.000 0.997 48 N HN 0.347 nan 8.380 nan 0.000 0.426 49 R N 1.468 121.970 120.500 0.004 0.000 2.094 49 R HA -0.134 4.206 4.340 0.001 0.000 0.239 49 R C 2.267 178.601 176.300 0.057 0.000 1.137 49 R CA 1.263 57.383 56.100 0.034 0.000 0.943 49 R CB -0.294 30.012 30.300 0.010 0.000 0.850 49 R HN 0.188 nan 8.270 nan 0.000 0.433 50 L N -0.194 121.044 121.223 0.025 0.000 2.027 50 L HA -0.135 4.205 4.340 0.001 0.000 0.206 50 L C 2.865 179.750 176.870 0.025 0.000 1.074 50 L CA 1.484 56.334 54.840 0.017 0.000 0.745 50 L CB -0.526 41.534 42.059 0.002 0.000 0.898 50 L HN 0.225 nan 8.230 nan 0.000 0.433 51 R N -0.683 119.835 120.500 0.030 0.000 2.119 51 R HA -0.282 4.059 4.340 0.001 0.000 0.246 51 R C 2.455 178.796 176.300 0.069 0.000 1.146 51 R CA 2.039 58.160 56.100 0.035 0.000 0.962 51 R CB -0.303 30.015 30.300 0.030 0.000 0.863 51 R HN 0.373 nan 8.270 nan 0.000 0.442 52 H N -0.017 119.042 119.070 -0.018 0.000 2.363 52 H HA -0.008 4.549 4.556 0.001 0.000 0.301 52 H C 1.832 177.152 175.328 -0.013 0.000 1.074 52 H CA 1.867 57.906 56.048 -0.015 0.000 1.354 52 H CB 0.043 29.795 29.762 -0.016 0.000 1.397 52 H HN 0.314 nan 8.280 nan 0.000 0.516 53 E N 0.272 120.452 120.200 -0.034 0.000 2.077 53 E HA -0.211 4.140 4.350 0.001 0.000 0.193 53 E C 2.406 178.952 176.600 -0.090 0.000 0.989 53 E CA 0.700 57.046 56.400 -0.089 0.000 0.800 53 E CB -0.020 29.665 29.700 -0.025 0.000 0.746 53 E HN 0.398 nan 8.360 nan 0.000 0.452 54 R N 0.486 120.955 120.500 -0.052 0.000 2.091 54 R HA -0.186 4.154 4.340 0.001 0.000 0.238 54 R C 1.835 178.100 176.300 -0.059 0.000 1.136 54 R CA 1.960 58.035 56.100 -0.042 0.000 0.959 54 R CB -0.169 30.118 30.300 -0.021 0.000 0.856 54 R HN 0.119 nan 8.270 nan 0.000 0.437 55 N N 0.551 119.204 118.700 -0.077 0.000 2.084 55 N HA -0.143 4.597 4.740 0.001 0.000 0.190 55 N C 1.543 176.986 175.510 -0.112 0.000 1.030 55 N CA 1.676 54.676 53.050 -0.083 0.000 0.849 55 N CB -0.076 38.365 38.487 -0.077 0.000 1.012 55 N HN 0.259 nan 8.380 nan 0.000 0.423 56 K N 0.138 120.429 120.400 -0.183 0.000 2.057 56 K HA -0.005 4.316 4.320 0.001 0.000 0.207 56 K C 1.482 178.027 176.600 -0.092 0.000 1.049 56 K CA 0.800 56.992 56.287 -0.159 0.000 0.931 56 K CB -0.058 32.315 32.500 -0.212 0.000 0.714 56 K HN 0.162 nan 8.250 nan 0.000 0.440 57 I N 0.871 121.394 120.570 -0.079 0.000 2.830 57 I HA -0.133 4.038 4.170 0.001 0.000 0.263 57 I C 2.233 178.325 176.117 -0.041 0.000 1.230 57 I CA 0.815 62.084 61.300 -0.051 0.000 1.480 57 I CB -1.285 36.690 38.000 -0.041 0.000 1.095 57 I HN 0.081 nan 8.210 nan 0.000 0.455 58 A N 0.663 123.456 122.820 -0.044 0.000 1.855 58 A HA -0.094 4.227 4.320 0.001 0.000 0.213 58 A C 2.531 180.097 177.584 -0.029 0.000 1.195 58 A CA 1.323 53.341 52.037 -0.032 0.000 0.610 58 A CB -1.000 17.981 19.000 -0.031 0.000 0.837 58 A HN 0.194 nan 8.150 nan 0.000 0.444 59 V N 0.262 120.155 119.914 -0.035 0.000 2.407 59 V HA -0.191 3.930 4.120 0.001 0.000 0.248 59 V C 2.352 178.431 176.094 -0.026 0.000 1.055 59 V CA 2.500 64.783 62.300 -0.029 0.000 1.049 59 V CB -0.578 31.226 31.823 -0.032 0.000 0.662 59 V HN 0.554 nan 8.190 nan 0.000 0.455 60 E N -0.178 120.004 120.200 -0.030 0.000 2.153 60 E HA -0.207 4.144 4.350 0.001 0.000 0.194 60 E C 2.070 178.658 176.600 -0.020 0.000 0.988 60 E CA 1.847 58.232 56.400 -0.025 0.000 0.811 60 E CB -0.254 29.429 29.700 -0.029 0.000 0.746 60 E HN 0.724 nan 8.360 nan 0.000 0.466 61 I N 0.036 120.595 120.570 -0.020 0.000 2.617 61 I HA -0.084 4.087 4.170 0.001 0.000 0.256 61 I C 2.003 178.112 176.117 -0.014 0.000 1.167 61 I CA 0.956 62.246 61.300 -0.016 0.000 1.469 61 I CB -0.043 37.948 38.000 -0.015 0.000 1.098 61 I HN 0.009 nan 8.210 nan 0.000 0.436 62 G N 0.642 109.433 108.800 -0.014 0.000 2.403 62 G HA2 -0.173 3.788 3.960 0.001 0.000 0.216 62 G HA3 -0.173 3.788 3.960 0.001 0.000 0.216 62 G C 1.675 176.568 174.900 -0.011 0.000 1.154 62 G CA 0.176 45.269 45.100 -0.012 0.000 0.784 62 G HN 0.181 nan 8.290 nan 0.000 0.538 63 K N 0.433 120.826 120.400 -0.012 0.000 2.147 63 K HA 0.014 4.335 4.320 0.001 0.000 0.205 63 K C 2.445 179.040 176.600 -0.009 0.000 1.049 63 K CA 0.539 56.820 56.287 -0.010 0.000 0.936 63 K CB -0.148 32.346 32.500 -0.012 0.000 0.722 63 K HN 0.250 nan 8.250 nan 0.000 0.446 64 R N 0.397 120.891 120.500 -0.010 0.000 2.275 64 R HA 0.049 4.390 4.340 0.001 0.000 0.199 64 R C 2.069 178.364 176.300 -0.008 0.000 0.989 64 R CA -0.030 56.064 56.100 -0.009 0.000 1.016 64 R CB 0.031 30.326 30.300 -0.009 0.000 0.918 64 R HN 0.013 nan 8.270 nan 0.000 0.473 65 R N 1.622 122.117 120.500 -0.008 0.000 2.193 65 R HA -0.092 4.249 4.340 0.001 0.000 0.229 65 R C 0.904 177.201 176.300 -0.006 0.000 1.110 65 R CA 1.343 57.439 56.100 -0.007 0.000 0.988 65 R CB 0.236 30.532 30.300 -0.007 0.000 0.871 65 R HN 0.034 nan 8.270 nan 0.000 0.458 66 K N 0.217 120.613 120.400 -0.006 0.000 2.308 66 K HA 0.070 4.391 4.320 0.001 0.000 0.197 66 K C 1.225 177.822 176.600 -0.005 0.000 1.049 66 K CA 0.187 56.470 56.287 -0.005 0.000 0.991 66 K CB 0.407 32.904 32.500 -0.005 0.000 0.836 66 K HN 0.083 nan 8.250 nan 0.000 0.500 67 K N 0.116 120.513 120.400 -0.006 0.000 2.952 67 K HA 0.184 4.505 4.320 0.001 0.000 0.323 67 K C 1.508 178.105 176.600 -0.005 0.000 1.003 67 K CA 0.368 56.652 56.287 -0.005 0.000 1.156 67 K CB 0.098 32.595 32.500 -0.006 0.000 1.339 67 K HN 0.024 nan 8.250 nan 0.000 0.516 68 G N 0.142 108.939 108.800 -0.005 0.000 2.776 68 G HA2 -0.151 3.810 3.960 0.001 0.000 0.209 68 G HA3 -0.151 3.810 3.960 0.001 0.000 0.209 68 G C -0.134 174.763 174.900 -0.005 0.000 1.145 68 G CA 0.489 45.586 45.100 -0.005 0.000 0.791 68 G HN 0.840 nan 8.290 nan 0.000 0.530 69 E N -0.149 120.048 120.200 -0.006 0.000 2.199 69 E HA -0.183 4.168 4.350 0.001 0.000 0.208 69 E C -1.740 174.857 176.600 -0.006 0.000 1.310 69 E CA -0.033 56.363 56.400 -0.006 0.000 0.709 69 E CB -0.376 29.320 29.700 -0.006 0.000 1.127 69 E HN 0.351 nan 8.360 nan 0.000 0.354 70 P HA 0.006 nan 4.420 nan 0.000 0.243 70 P C 0.819 178.115 177.300 -0.007 0.000 1.668 70 P CA 0.378 63.475 63.100 -0.006 0.000 0.898 70 P CB 0.019 31.715 31.700 -0.006 0.000 1.637 71 V N -4.337 115.573 119.914 -0.007 0.000 3.504 71 V HA -0.153 3.967 4.120 0.001 0.000 0.273 71 V C 1.011 177.100 176.094 -0.008 0.000 1.228 71 V CA 1.316 63.611 62.300 -0.008 0.000 1.189 71 V CB -1.275 30.542 31.823 -0.009 0.000 0.881 71 V HN 0.005 nan 8.190 nan 0.000 0.529 72 D N 0.775 121.171 120.400 -0.007 0.000 2.149 72 D HA -0.102 4.539 4.640 0.001 0.000 0.201 72 D C 2.105 178.401 176.300 -0.007 0.000 0.972 72 D CA 1.589 55.585 54.000 -0.006 0.000 0.835 72 D CB 0.057 40.854 40.800 -0.005 0.000 0.966 72 D HN 0.694 nan 8.370 nan 0.000 0.476 73 E N -0.102 120.094 120.200 -0.007 0.000 2.086 73 E HA -0.023 4.328 4.350 0.001 0.000 0.190 73 E C 1.940 178.535 176.600 -0.008 0.000 0.975 73 E CA 0.108 56.504 56.400 -0.007 0.000 0.813 73 E CB 0.071 29.767 29.700 -0.007 0.000 0.768 73 E HN 0.219 nan 8.360 nan 0.000 0.457 74 L N 1.040 122.258 121.223 -0.010 0.000 2.376 74 L HA -0.061 4.280 4.340 0.001 0.000 0.219 74 L C 1.985 178.847 176.870 -0.012 0.000 1.133 74 L CA 0.347 55.180 54.840 -0.012 0.000 0.816 74 L CB 0.087 42.139 42.059 -0.013 0.000 0.933 74 L HN 0.243 nan 8.230 nan 0.000 0.449 75 L N -0.272 120.944 121.223 -0.010 0.000 2.249 75 L HA 0.068 4.408 4.340 0.001 0.000 0.207 75 L C 2.541 179.406 176.870 -0.009 0.000 1.090 75 L CA 1.613 56.447 54.840 -0.010 0.000 0.802 75 L CB -0.890 41.164 42.059 -0.009 0.000 0.947 75 L HN 0.328 nan 8.230 nan 0.000 0.453 76 A N -0.576 122.239 122.820 -0.008 0.000 2.067 76 A HA -0.144 4.177 4.320 0.001 0.000 0.219 76 A C 2.157 179.737 177.584 -0.008 0.000 1.158 76 A CA 0.999 53.032 52.037 -0.007 0.000 0.661 76 A CB -0.220 18.776 19.000 -0.006 0.000 0.801 76 A HN 0.238 nan 8.150 nan 0.000 0.452 77 K N 0.362 120.756 120.400 -0.009 0.000 2.116 77 K HA -0.055 4.266 4.320 0.001 0.000 0.203 77 K C 2.388 178.982 176.600 -0.011 0.000 1.052 77 K CA 1.367 57.648 56.287 -0.010 0.000 0.952 77 K CB -0.425 32.068 32.500 -0.012 0.000 0.729 77 K HN 0.654 nan 8.250 nan 0.000 0.446 78 S N 0.836 116.528 115.700 -0.013 0.000 2.399 78 S HA -0.122 4.349 4.470 0.001 0.000 0.231 78 S C 1.943 176.536 174.600 -0.011 0.000 1.022 78 S CA 0.813 59.005 58.200 -0.014 0.000 0.983 78 S CB -0.204 62.987 63.200 -0.014 0.000 0.803 78 S HN 0.246 nan 8.310 nan 0.000 0.480 79 R N 0.661 121.156 120.500 -0.009 0.000 2.153 79 R HA 0.136 4.477 4.340 0.001 0.000 0.218 79 R C 2.035 178.331 176.300 -0.007 0.000 1.072 79 R CA 1.068 57.163 56.100 -0.007 0.000 0.990 79 R CB -0.093 30.203 30.300 -0.007 0.000 0.889 79 R HN 0.437 nan 8.270 nan 0.000 0.452 80 E N 0.679 120.874 120.200 -0.007 0.000 2.190 80 E HA -0.008 4.343 4.350 0.001 0.000 0.191 80 E C 2.016 178.612 176.600 -0.006 0.000 0.978 80 E CA 0.523 56.920 56.400 -0.006 0.000 0.839 80 E CB 0.038 29.735 29.700 -0.006 0.000 0.787 80 E HN 0.302 nan 8.360 nan 0.000 0.473 81 I N 1.348 121.913 120.570 -0.008 0.000 2.099 81 I HA -0.269 3.901 4.170 0.001 0.000 0.239 81 I C 2.584 178.697 176.117 -0.007 0.000 1.066 81 I CA 1.576 62.871 61.300 -0.008 0.000 1.324 81 I CB -0.580 37.414 38.000 -0.011 0.000 1.037 81 I HN 0.018 nan 8.210 nan 0.000 0.401 82 V N -0.741 119.169 119.914 -0.007 0.000 2.407 82 V HA -0.271 3.850 4.120 0.001 0.000 0.248 82 V C 2.473 178.564 176.094 -0.005 0.000 1.055 82 V CA 1.941 64.238 62.300 -0.006 0.000 1.049 82 V CB -0.939 30.881 31.823 -0.006 0.000 0.662 82 V HN 0.428 nan 8.190 nan 0.000 0.455 83 K N 0.419 120.816 120.400 -0.005 0.000 2.103 83 K HA -0.277 4.044 4.320 0.001 0.000 0.207 83 K C 2.439 179.036 176.600 -0.004 0.000 1.048 83 K CA 2.061 58.346 56.287 -0.004 0.000 0.930 83 K CB -0.200 32.298 32.500 -0.004 0.000 0.716 83 K HN 0.444 nan 8.250 nan 0.000 0.444 84 R N 1.281 121.778 120.500 -0.004 0.000 2.066 84 R HA 0.035 4.376 4.340 0.001 0.000 0.232 84 R C 2.192 178.489 176.300 -0.006 0.000 1.131 84 R CA 1.342 57.440 56.100 -0.005 0.000 0.955 84 R CB -0.623 29.674 30.300 -0.005 0.000 0.851 84 R HN 0.279 nan 8.270 nan 0.000 0.432 85 I N -0.197 120.369 120.570 -0.007 0.000 2.151 85 I HA -0.245 3.926 4.170 0.001 0.000 0.243 85 I C 2.208 178.321 176.117 -0.007 0.000 1.080 85 I CA 1.789 63.084 61.300 -0.008 0.000 1.339 85 I CB -0.717 37.279 38.000 -0.007 0.000 1.039 85 I HN 0.435 nan 8.210 nan 0.000 0.409 86 G N 0.050 108.848 108.800 -0.004 0.000 2.432 86 G HA2 -0.205 3.755 3.960 0.001 0.000 0.219 86 G HA3 -0.205 3.755 3.960 0.001 0.000 0.219 86 G C 1.514 176.414 174.900 0.000 0.000 1.135 86 G CA 0.498 45.597 45.100 -0.002 0.000 0.767 86 G HN 0.436 nan 8.290 nan 0.000 0.550 87 E N -0.050 120.149 120.200 -0.001 0.000 2.072 87 E HA -0.018 4.333 4.350 0.001 0.000 0.191 87 E C 2.567 179.169 176.600 0.003 0.000 0.985 87 E CA 0.442 56.843 56.400 0.002 0.000 0.801 87 E CB -0.143 29.558 29.700 0.001 0.000 0.750 87 E HN 0.384 nan 8.360 nan 0.000 0.452 88 L N 1.027 122.249 121.223 -0.002 0.000 2.005 88 L HA -0.194 4.147 4.340 0.001 0.000 0.207 88 L C 2.453 179.322 176.870 -0.001 0.000 1.072 88 L CA 1.296 56.133 54.840 -0.005 0.000 0.744 88 L CB -0.362 41.685 42.059 -0.019 0.000 0.895 88 L HN 0.088 nan 8.230 nan 0.000 0.433 89 E N 0.058 120.256 120.200 -0.004 0.000 2.136 89 E HA -0.272 4.079 4.350 0.001 0.000 0.202 89 E C 1.953 178.566 176.600 0.022 0.000 1.019 89 E CA 1.583 57.986 56.400 0.005 0.000 0.819 89 E CB -0.102 29.599 29.700 0.003 0.000 0.739 89 E HN 0.460 nan 8.360 nan 0.000 0.458 90 N N 0.312 119.022 118.700 0.018 0.000 2.270 90 N HA -0.120 4.620 4.740 0.001 0.000 0.181 90 N C 1.540 177.070 175.510 0.034 0.000 1.016 90 N CA 0.810 53.874 53.050 0.023 0.000 0.870 90 N CB -0.001 38.494 38.487 0.013 0.000 0.979 90 N HN 0.300 nan 8.380 nan 0.000 0.431 91 E N 0.561 120.780 120.200 0.033 0.000 2.106 91 E HA -0.077 4.274 4.350 0.001 0.000 0.192 91 E C 2.025 178.675 176.600 0.083 0.000 0.984 91 E CA 0.606 57.033 56.400 0.045 0.000 0.806 91 E CB 0.112 29.832 29.700 0.034 0.000 0.750 91 E HN 0.047 nan 8.360 nan 0.000 0.458 92 V N 1.664 121.632 119.914 0.090 0.000 2.261 92 V HA -0.282 3.839 4.120 0.001 0.000 0.246 92 V C 2.082 178.313 176.094 0.228 0.000 1.047 92 V CA 1.950 64.357 62.300 0.177 0.000 1.015 92 V CB -0.465 31.406 31.823 0.081 0.000 0.642 92 V HN 0.248 nan 8.190 nan 0.000 0.446 93 E N -0.372 119.911 120.200 0.139 0.000 2.070 93 E HA -0.256 4.095 4.350 0.001 0.000 0.197 93 E C 2.246 178.893 176.600 0.078 0.000 1.004 93 E CA 1.426 57.891 56.400 0.108 0.000 0.805 93 E CB -0.172 29.565 29.700 0.062 0.000 0.744 93 E HN 0.528 nan 8.360 nan 0.000 0.451 94 E N 0.170 120.407 120.200 0.061 0.000 2.268 94 E HA -0.138 4.213 4.350 0.001 0.000 0.195 94 E C 1.909 178.528 176.600 0.032 0.000 0.995 94 E CA 0.554 56.972 56.400 0.030 0.000 0.836 94 E CB 0.078 29.788 29.700 0.018 0.000 0.763 94 E HN 0.164 nan 8.360 nan 0.000 0.491 95 L N 0.678 121.953 121.223 0.087 0.000 2.127 95 L HA -0.038 4.303 4.340 0.001 0.000 0.203 95 L C 2.086 178.953 176.870 -0.005 0.000 1.080 95 L CA 1.363 56.254 54.840 0.084 0.000 0.768 95 L CB -0.433 41.752 42.059 0.210 0.000 0.924 95 L HN -0.062 nan 8.230 nan 0.000 0.444 96 K N -0.291 120.099 120.400 -0.016 0.000 2.074 96 K HA -0.220 4.101 4.320 0.001 0.000 0.209 96 K C 2.048 178.596 176.600 -0.087 0.000 1.048 96 K CA 1.485 57.676 56.287 -0.158 0.000 0.926 96 K CB -0.125 32.343 32.500 -0.054 0.000 0.713 96 K HN 0.244 nan 8.250 nan 0.000 0.444 97 K N 0.994 121.370 120.400 -0.040 0.000 2.009 97 K HA -0.153 4.168 4.320 0.001 0.000 0.210 97 K C 2.059 178.624 176.600 -0.059 0.000 1.049 97 K CA 1.510 57.772 56.287 -0.043 0.000 0.929 97 K CB -0.068 32.407 32.500 -0.042 0.000 0.714 97 K HN 0.073 nan 8.250 nan 0.000 0.440 98 K N 0.667 121.012 120.400 -0.091 0.000 2.103 98 K HA -0.127 4.194 4.320 0.001 0.000 0.207 98 K C 2.155 178.677 176.600 -0.130 0.000 1.048 98 K CA 1.342 57.524 56.287 -0.174 0.000 0.930 98 K CB -0.189 32.239 32.500 -0.120 0.000 0.716 98 K HN 0.142 nan 8.250 nan 0.000 0.444 99 I N 1.360 121.908 120.570 -0.037 0.000 2.163 99 I HA -0.272 3.899 4.170 0.001 0.000 0.240 99 I C 1.787 177.935 176.117 0.051 0.000 1.081 99 I CA 1.222 62.536 61.300 0.025 0.000 1.353 99 I CB -0.336 37.598 38.000 -0.109 0.000 1.054 99 I HN 0.113 nan 8.210 nan 0.000 0.407 100 D N 0.185 120.603 120.400 0.030 0.000 2.182 100 D HA -0.249 4.392 4.640 0.001 0.000 0.201 100 D C 1.918 178.335 176.300 0.195 0.000 0.986 100 D CA 1.328 55.425 54.000 0.161 0.000 0.847 100 D CB -0.413 40.476 40.800 0.149 0.000 0.942 100 D HN 0.416 nan 8.370 nan 0.000 0.467 101 Y N 0.241 120.487 120.300 -0.090 0.000 2.193 101 Y HA -0.330 4.221 4.550 0.001 0.000 0.285 101 Y C 1.899 177.674 175.900 -0.208 0.000 1.166 101 Y CA 1.690 59.676 58.100 -0.189 0.000 1.181 101 Y CB -0.345 37.857 38.460 -0.429 0.000 0.976 101 Y HN 0.041 nan 8.280 nan 0.000 0.520 102 Y N -0.906 119.392 120.300 -0.004 0.000 2.231 102 Y HA -0.113 4.438 4.550 0.001 0.000 0.294 102 Y C 2.317 178.225 175.900 0.014 0.000 1.120 102 Y CA 0.693 58.672 58.100 -0.202 0.000 1.141 102 Y CB -0.289 38.019 38.460 -0.252 0.000 1.022 102 Y HN -0.016 nan 8.280 nan 0.000 0.523 103 L N -1.534 119.801 121.223 0.186 0.000 2.189 103 L HA -0.265 4.076 4.340 0.001 0.000 0.214 103 L C 1.533 178.346 176.870 -0.095 0.000 1.097 103 L CA 1.394 56.262 54.840 0.047 0.000 0.764 103 L CB -0.492 41.556 42.059 -0.020 0.000 0.900 103 L HN 0.426 nan 8.230 nan 0.000 0.436 104 W N -0.280 120.923 121.300 -0.162 0.000 3.047 104 W HA 0.020 4.681 4.660 0.001 0.000 0.250 104 W C 2.277 178.586 176.519 -0.350 0.000 1.314 104 W CA 0.219 57.376 57.345 -0.312 0.000 1.540 104 W CB 0.127 29.426 29.460 -0.269 0.000 1.127 104 W HN -0.034 nan 8.180 nan 0.000 0.679 105 R N -0.862 119.681 120.500 0.073 0.000 2.404 105 R HA 0.117 4.458 4.340 0.001 0.000 0.237 105 R C 0.254 176.781 176.300 0.379 0.000 0.907 105 R CA -0.312 55.930 56.100 0.236 0.000 1.063 105 R CB 0.122 30.613 30.300 0.318 0.000 1.134 105 R HN -0.184 nan 8.270 nan 0.000 0.529 106 L N 3.422 124.824 121.223 0.299 0.000 2.426 106 L HA 0.224 4.565 4.340 0.001 0.000 0.271 106 L C -1.915 174.975 176.870 0.033 0.000 1.169 106 L CA -1.922 52.998 54.840 0.133 0.000 0.836 106 L CB 0.307 42.445 42.059 0.132 0.000 1.112 106 L HN -0.066 nan 8.230 nan 0.000 0.465 107 P HA 0.090 nan 4.420 nan 0.000 0.276 107 P C -0.481 176.725 177.300 -0.156 0.000 1.244 107 P CA -0.727 62.103 63.100 -0.450 0.000 0.801 107 P CB 0.850 32.035 31.700 -0.859 0.000 1.006 108 N N 1.068 119.579 118.700 -0.315 0.000 2.416 108 N HA 0.016 4.757 4.740 0.001 0.000 0.246 108 N C -0.123 175.312 175.510 -0.125 0.000 1.260 108 N CA 0.013 52.967 53.050 -0.160 0.000 0.897 108 N CB -0.147 38.080 38.487 -0.435 0.000 1.110 108 N HN 0.183 nan 8.380 nan 0.000 0.439 109 I N 2.141 122.685 120.570 -0.043 0.000 2.452 109 I HA 0.017 4.187 4.170 0.001 0.000 0.287 109 I C 1.155 177.256 176.117 -0.026 0.000 1.079 109 I CA -0.098 61.180 61.300 -0.038 0.000 1.387 109 I CB -0.650 37.348 38.000 -0.004 0.000 1.404 109 I HN 0.584 nan 8.210 nan 0.000 0.522 110 T N 4.054 118.584 114.554 -0.040 0.000 2.899 110 T HA 0.119 4.469 4.350 0.001 0.000 0.295 110 T C 0.191 174.912 174.700 0.035 0.000 1.033 110 T CA -0.407 61.689 62.100 -0.006 0.000 1.084 110 T CB 1.118 69.962 68.868 -0.040 0.000 0.979 110 T HN 0.563 nan 8.240 nan 0.000 0.532 111 H N 2.715 121.778 119.070 -0.013 0.000 2.562 111 H HA 0.204 4.761 4.556 0.001 0.000 0.352 111 H C -1.874 173.382 175.328 -0.119 0.000 1.125 111 H CA -1.913 54.084 56.048 -0.085 0.000 1.379 111 H CB 1.411 31.026 29.762 -0.244 0.000 1.464 111 H HN 0.399 nan 8.280 nan 0.000 0.563 112 P HA -0.186 nan 4.420 nan 0.000 0.217 112 P C 1.340 178.504 177.300 -0.226 0.000 1.148 112 P CA 2.029 64.868 63.100 -0.435 0.000 0.828 112 P CB 0.073 31.467 31.700 -0.510 0.000 0.783 113 S N -1.880 113.768 115.700 -0.088 0.000 2.603 113 S HA 0.009 4.480 4.470 0.001 0.000 0.229 113 S C 0.698 175.330 174.600 0.053 0.000 0.972 113 S CA -0.094 58.145 58.200 0.065 0.000 0.935 113 S CB -1.138 62.160 63.200 0.164 0.000 0.769 113 S HN -0.142 nan 8.310 nan 0.000 0.536 114 V N 5.271 125.202 119.914 0.030 0.000 2.439 114 V HA 0.282 4.402 4.120 0.001 0.000 0.271 114 V C -1.848 174.240 176.094 -0.009 0.000 1.040 114 V CA -1.887 60.420 62.300 0.011 0.000 1.002 114 V CB 0.359 32.180 31.823 -0.002 0.000 1.000 114 V HN 0.395 nan 8.190 nan 0.000 0.477 115 P HA 0.130 nan 4.420 nan 0.000 0.271 115 P C -0.439 176.850 177.300 -0.018 0.000 1.216 115 P CA -0.050 63.044 63.100 -0.010 0.000 0.776 115 P CB 0.944 32.643 31.700 -0.001 0.000 0.881 116 V N 2.828 122.729 119.914 -0.023 0.000 2.555 116 V HA 0.576 4.697 4.120 0.001 0.000 0.286 116 V C 1.199 177.280 176.094 -0.021 0.000 1.044 116 V CA 0.662 62.946 62.300 -0.026 0.000 1.026 116 V CB 0.269 32.074 31.823 -0.029 0.000 0.981 116 V HN 0.980 nan 8.190 nan 0.000 0.480 117 G N 3.492 112.279 108.800 -0.021 0.000 2.606 117 G HA2 0.548 4.509 3.960 0.001 0.000 0.300 117 G HA3 0.548 4.509 3.960 0.001 0.000 0.300 117 G C -0.291 174.598 174.900 -0.017 0.000 1.360 117 G CA -0.064 45.026 45.100 -0.017 0.000 0.783 117 G HN 0.586 nan 8.290 nan 0.000 0.484 118 K N -0.881 119.511 120.400 -0.013 0.000 2.362 118 K HA 0.248 4.569 4.320 0.001 0.000 0.203 118 K C 0.377 176.972 176.600 -0.008 0.000 1.198 118 K CA 1.442 57.722 56.287 -0.011 0.000 0.908 118 K CB 0.420 32.914 32.500 -0.010 0.000 1.236 118 K HN 0.654 nan 8.250 nan 0.000 0.487 119 D N -0.707 119.689 120.400 -0.007 0.000 2.732 119 D HA 0.018 4.659 4.640 0.001 0.000 0.292 119 D C 0.111 176.408 176.300 -0.005 0.000 1.135 119 D CA -0.351 53.646 54.000 -0.005 0.000 1.071 119 D CB 0.411 41.210 40.800 -0.002 0.000 1.457 119 D HN 0.209 nan 8.370 nan 0.000 0.547 120 E N -0.302 119.896 120.200 -0.003 0.000 2.455 120 E HA -0.179 4.172 4.350 0.001 0.000 0.202 120 E C 0.698 177.298 176.600 -0.001 0.000 1.045 120 E CA 0.757 57.156 56.400 -0.002 0.000 0.872 120 E CB -0.424 29.277 29.700 0.002 0.000 0.792 120 E HN 0.223 nan 8.360 nan 0.000 0.542 121 N N 1.189 119.889 118.700 -0.001 0.000 2.446 121 N HA -0.055 4.686 4.740 0.001 0.000 0.179 121 N C 0.181 175.688 175.510 -0.005 0.000 1.054 121 N CA 0.868 53.918 53.050 -0.000 0.000 0.905 121 N CB 0.226 38.714 38.487 0.001 0.000 0.973 121 N HN 0.246 nan 8.380 nan 0.000 0.448 122 D N -0.154 120.242 120.400 -0.007 0.000 2.342 122 D HA 0.084 4.724 4.640 0.001 0.000 0.221 122 D C -0.221 176.073 176.300 -0.010 0.000 1.101 122 D CA -0.094 53.900 54.000 -0.009 0.000 0.837 122 D CB 0.002 40.796 40.800 -0.010 0.000 0.938 122 D HN 0.023 nan 8.370 nan 0.000 0.508 123 N N 0.250 118.944 118.700 -0.010 0.000 2.508 123 N HA 0.157 4.898 4.740 0.001 0.000 0.264 123 N C -0.591 174.908 175.510 -0.019 0.000 1.216 123 N CA -0.013 53.030 53.050 -0.012 0.000 0.943 123 N CB 1.306 39.785 38.487 -0.013 0.000 1.113 123 N HN -0.176 nan 8.380 nan 0.000 0.447 124 V N 3.280 123.184 119.914 -0.017 0.000 2.417 124 V HA 0.382 4.503 4.120 0.001 0.000 0.291 124 V C -2.148 173.910 176.094 -0.060 0.000 1.024 124 V CA -1.770 60.514 62.300 -0.026 0.000 0.861 124 V CB 1.749 33.567 31.823 -0.008 0.000 0.985 124 V HN 0.547 nan 8.190 nan 0.000 0.436 125 P HA 0.367 nan 4.420 nan 0.000 0.275 125 P C 0.607 177.809 177.300 -0.164 0.000 1.228 125 P CA -0.110 62.862 63.100 -0.212 0.000 0.786 125 P CB 0.644 32.238 31.700 -0.178 0.000 0.927 126 I N -1.640 118.780 120.570 -0.251 0.000 4.670 126 I HA 0.488 4.659 4.170 0.001 0.000 0.339 126 I C 0.021 176.041 176.117 -0.162 0.000 1.310 126 I CA -0.109 61.103 61.300 -0.147 0.000 1.288 126 I CB 0.532 38.461 38.000 -0.117 0.000 1.427 126 I HN 0.158 nan 8.210 nan 0.000 0.494 127 R N 0.307 120.605 120.500 -0.337 0.000 2.687 127 R HA 0.682 5.023 4.340 0.001 0.000 0.265 127 R C -2.007 173.986 176.300 -0.513 0.000 1.048 127 R CA -0.339 55.633 56.100 -0.213 0.000 0.884 127 R CB 2.178 32.416 30.300 -0.103 0.000 1.258 127 R HN 0.011 nan 8.270 nan 0.000 0.469 128 F N -0.002 119.928 119.950 -0.034 0.000 2.650 128 F HA 0.699 5.227 4.527 0.001 0.000 0.320 128 F C -1.081 174.676 175.800 -0.072 0.000 1.091 128 F CA -0.565 57.388 58.000 -0.078 0.000 0.962 128 F CB 1.951 40.899 39.000 -0.086 0.000 1.363 128 F HN 0.518 nan 8.300 nan 0.000 0.482 129 W N 0.432 121.596 121.300 -0.227 0.000 3.571 129 W HA 0.532 5.193 4.660 0.001 0.000 0.294 129 W C -0.480 175.913 176.519 -0.210 0.000 1.257 129 W CA -0.223 56.940 57.345 -0.303 0.000 1.206 129 W CB 1.688 30.786 29.460 -0.604 0.000 1.325 129 W HN 1.087 nan 8.180 nan 0.000 0.546 130 G N 3.178 111.266 108.800 -1.187 0.000 2.663 130 G HA2 -0.032 3.929 3.960 0.001 0.000 0.686 130 G HA3 -0.032 3.929 3.960 0.001 0.000 0.686 130 G C -1.564 173.103 174.900 -0.389 0.000 1.288 130 G CA -0.664 43.869 45.100 -0.946 0.000 0.836 130 G HN 0.708 nan 8.290 nan 0.000 0.584 131 K N 0.361 120.601 120.400 -0.268 0.000 2.425 131 K HA 0.701 5.021 4.320 0.001 0.000 0.259 131 K C 0.484 177.035 176.600 -0.082 0.000 0.978 131 K CA -0.005 56.198 56.287 -0.140 0.000 0.883 131 K CB 0.950 33.368 32.500 -0.136 0.000 1.110 131 K HN 1.286 nan 8.250 nan 0.000 0.436 132 A N 4.236 126.978 122.820 -0.130 0.000 2.340 132 A HA 0.435 4.756 4.320 0.001 0.000 0.268 132 A C -0.528 176.908 177.584 -0.247 0.000 1.100 132 A CA -0.574 51.298 52.037 -0.274 0.000 0.803 132 A CB 0.475 18.936 19.000 -0.898 0.000 1.043 132 A HN 0.834 nan 8.150 nan 0.000 0.488 133 R N 0.882 121.353 120.500 -0.047 0.000 2.255 133 R HA 0.511 4.852 4.340 0.001 0.000 0.326 133 R C -1.286 175.037 176.300 0.039 0.000 0.986 133 R CA -0.385 55.699 56.100 -0.027 0.000 0.847 133 R CB 1.510 31.817 30.300 0.013 0.000 1.111 133 R HN 0.434 nan 8.270 nan 0.000 0.452 134 V N 3.074 122.916 119.914 -0.120 0.000 2.555 134 V HA 0.265 4.386 4.120 0.001 0.000 0.302 134 V C -0.458 175.692 176.094 0.093 0.000 1.038 134 V CA -1.077 61.196 62.300 -0.045 0.000 0.887 134 V CB 1.474 32.973 31.823 -0.539 0.000 0.991 134 V HN 0.703 nan 8.190 nan 0.000 0.434 135 W N 5.000 126.301 121.300 0.002 0.000 2.190 135 W HA 0.281 4.942 4.660 0.002 0.000 0.330 135 W C 1.707 178.165 176.519 -0.101 0.000 1.299 135 W CA -0.994 56.274 57.345 -0.129 0.000 1.215 135 W CB 0.964 30.298 29.460 -0.210 0.000 1.147 135 W HN 0.817 nan 8.180 nan 0.000 0.563 136 K N 2.779 122.927 120.400 -0.420 0.000 2.152 136 K HA -0.135 4.185 4.320 0.001 0.000 0.206 136 K C 1.691 177.885 176.600 -0.678 0.000 1.048 136 K CA 1.749 57.756 56.287 -0.467 0.000 0.933 136 K CB -0.800 31.446 32.500 -0.423 0.000 0.721 136 K HN 0.633 nan 8.250 nan 0.000 0.447 137 G N 0.578 108.477 108.800 -1.502 0.000 2.534 137 G HA2 -0.159 3.802 3.960 0.001 0.000 0.217 137 G HA3 -0.159 3.802 3.960 0.001 0.000 0.217 137 G C 0.837 175.468 174.900 -0.449 0.000 1.128 137 G CA 0.334 44.612 45.100 -1.370 0.000 0.784 137 G HN 0.377 nan 8.290 nan 0.000 0.542 138 H N -0.155 118.926 119.070 0.018 0.000 2.549 138 H HA 0.233 4.790 4.556 0.001 0.000 0.279 138 H C 2.133 177.550 175.328 0.149 0.000 1.018 138 H CA -0.614 55.560 56.048 0.210 0.000 1.175 138 H CB 0.214 30.208 29.762 0.386 0.000 1.485 138 H HN 0.145 nan 8.280 nan 0.000 0.543 139 L N 0.951 122.244 121.223 0.117 0.000 2.021 139 L HA -0.228 4.113 4.340 0.001 0.000 0.215 139 L C 2.133 179.069 176.870 0.110 0.000 1.074 139 L CA 1.972 56.867 54.840 0.091 0.000 0.760 139 L CB -0.260 41.807 42.059 0.013 0.000 0.889 139 L HN 0.323 nan 8.230 nan 0.000 0.433 140 E N -0.276 119.972 120.200 0.079 0.000 2.028 140 E HA -0.298 4.053 4.350 0.001 0.000 0.191 140 E C 2.320 178.961 176.600 0.068 0.000 0.988 140 E CA 1.278 57.710 56.400 0.053 0.000 0.799 140 E CB -0.101 29.621 29.700 0.037 0.000 0.755 140 E HN 0.361 nan 8.360 nan 0.000 0.447 141 R N -0.387 120.191 120.500 0.130 0.000 2.096 141 R HA -0.196 4.145 4.340 0.001 0.000 0.240 141 R C 2.319 178.707 176.300 0.146 0.000 1.139 141 R CA 1.842 58.027 56.100 0.143 0.000 0.952 141 R CB -0.492 29.921 30.300 0.188 0.000 0.854 141 R HN 0.271 nan 8.270 nan 0.000 0.436 142 F N 0.641 120.628 119.950 0.062 0.000 2.171 142 F HA -0.148 4.380 4.527 0.001 0.000 0.300 142 F C 1.590 177.274 175.800 -0.193 0.000 1.090 142 F CA 1.381 59.317 58.000 -0.106 0.000 1.293 142 F CB -0.032 38.745 39.000 -0.371 0.000 1.013 142 F HN 0.005 nan 8.300 nan 0.000 0.486 143 L N 0.027 121.022 121.223 -0.380 0.000 2.156 143 L HA -0.120 4.221 4.340 0.001 0.000 0.208 143 L C 2.405 179.078 176.870 -0.330 0.000 1.095 143 L CA 1.293 55.857 54.840 -0.461 0.000 0.770 143 L CB -0.694 41.252 42.059 -0.190 0.000 0.914 143 L HN 0.186 nan 8.230 nan 0.000 0.439 144 E N 0.911 121.006 120.200 -0.175 0.000 2.012 144 E HA -0.292 4.059 4.350 0.001 0.000 0.197 144 E C 2.096 178.634 176.600 -0.102 0.000 1.007 144 E CA 1.844 58.187 56.400 -0.096 0.000 0.816 144 E CB -0.183 29.506 29.700 -0.019 0.000 0.762 144 E HN 0.386 nan 8.360 nan 0.000 0.451 145 Q N -0.489 119.278 119.800 -0.055 0.000 2.297 145 Q HA -0.032 4.309 4.340 0.001 0.000 0.204 145 Q C 2.008 177.952 176.000 -0.094 0.000 0.962 145 Q CA 1.368 57.179 55.803 0.014 0.000 0.879 145 Q CB 0.056 28.973 28.738 0.298 0.000 0.947 145 Q HN 0.446 nan 8.270 nan 0.000 0.462 146 S N -1.029 114.472 115.700 -0.332 0.000 2.503 146 S HA -0.011 4.460 4.470 0.001 0.000 0.215 146 S C 0.736 174.952 174.600 -0.640 0.000 1.003 146 S CA -0.157 57.698 58.200 -0.576 0.000 0.910 146 S CB 0.461 63.013 63.200 -1.080 0.000 0.790 146 S HN 0.172 nan 8.310 nan 0.000 0.514 147 Q N 0.133 119.697 119.800 -0.394 0.000 2.468 147 Q HA -0.191 4.150 4.340 0.001 0.000 0.256 147 Q C 0.963 176.766 176.000 -0.330 0.000 0.984 147 Q CA 0.985 56.620 55.803 -0.281 0.000 1.110 147 Q CB -2.470 26.163 28.738 -0.175 0.000 1.527 147 Q HN 1.366 nan 8.270 nan 0.000 0.535 148 G N 0.107 108.653 108.800 -0.423 0.000 2.258 148 G HA2 -0.370 3.591 3.960 0.001 0.000 0.274 148 G HA3 -0.370 3.591 3.960 0.001 0.000 0.274 148 G C 0.669 175.384 174.900 -0.308 0.000 1.021 148 G CA 0.991 45.907 45.100 -0.308 0.000 0.798 148 G HN 0.409 nan 8.290 nan 0.000 0.507 149 K N -1.109 118.974 120.400 -0.528 0.000 2.387 149 K HA 0.345 4.666 4.320 0.001 0.000 0.198 149 K C 0.909 177.204 176.600 -0.508 0.000 1.022 149 K CA 0.031 56.032 56.287 -0.477 0.000 1.128 149 K CB 0.322 32.512 32.500 -0.518 0.000 0.853 149 K HN 0.565 nan 8.250 nan 0.000 0.523 150 M N 1.102 120.403 119.600 -0.498 0.000 2.393 150 M HA 0.214 4.695 4.480 0.001 0.000 0.316 150 M C -0.766 175.542 176.300 0.012 0.000 1.087 150 M CA -0.579 54.563 55.300 -0.263 0.000 0.937 150 M CB 2.088 34.509 32.600 -0.299 0.000 1.668 150 M HN -0.207 nan 8.290 nan 0.000 0.438 151 E N 2.586 122.793 120.200 0.011 0.000 2.428 151 E HA 0.385 4.736 4.350 0.001 0.000 0.257 151 E C -1.522 175.194 176.600 0.192 0.000 1.197 151 E CA 0.877 57.305 56.400 0.048 0.000 0.974 151 E CB 0.569 30.222 29.700 -0.078 0.000 0.976 151 E HN 0.535 nan 8.360 nan 0.000 0.463 152 Y N -2.278 117.941 120.300 -0.135 0.000 2.970 152 Y HA 0.324 4.875 4.550 0.001 0.000 0.396 152 Y C -1.947 173.833 175.900 -0.201 0.000 1.171 152 Y CA -1.200 56.761 58.100 -0.232 0.000 1.197 152 Y CB 0.604 38.810 38.460 -0.423 0.000 1.550 152 Y HN 0.505 nan 8.280 nan 0.000 0.470 153 E N 2.183 122.262 120.200 -0.202 0.000 2.331 153 E HA 0.597 4.947 4.350 0.001 0.000 0.275 153 E C -1.594 174.951 176.600 -0.092 0.000 0.895 153 E CA -1.083 55.177 56.400 -0.233 0.000 0.753 153 E CB 2.719 32.336 29.700 -0.140 0.000 1.216 153 E HN 0.625 nan 8.360 nan 0.000 0.434 154 I N 2.845 123.361 120.570 -0.090 0.000 2.519 154 I HA 0.230 4.401 4.170 0.001 0.000 0.287 154 I C 0.069 176.154 176.117 -0.054 0.000 1.047 154 I CA -0.597 60.681 61.300 -0.037 0.000 1.381 154 I CB 0.517 38.498 38.000 -0.032 0.000 1.417 154 I HN 0.619 nan 8.210 nan 0.000 0.540 155 L N 5.280 126.462 121.223 -0.069 0.000 2.296 155 L HA 0.289 4.630 4.340 0.001 0.000 0.286 155 L C 1.259 178.111 176.870 -0.029 0.000 1.023 155 L CA -0.559 54.199 54.840 -0.135 0.000 0.812 155 L CB 1.908 43.720 42.059 -0.412 0.000 1.223 155 L HN 0.528 nan 8.230 nan 0.000 0.421 156 E N 2.778 123.012 120.200 0.057 0.000 2.158 156 E HA -0.054 4.297 4.350 0.001 0.000 0.191 156 E C 0.210 176.987 176.600 0.295 0.000 0.982 156 E CA 0.626 57.113 56.400 0.145 0.000 0.823 156 E CB 0.185 29.980 29.700 0.157 0.000 0.766 156 E HN 0.511 nan 8.360 nan 0.000 0.468 157 W N 1.266 122.678 121.300 0.186 0.000 2.332 157 W HA 0.537 5.198 4.660 0.001 0.000 0.351 157 W C 0.089 176.703 176.519 0.159 0.000 1.195 157 W CA -1.048 56.394 57.345 0.162 0.000 1.334 157 W CB 0.284 29.787 29.460 0.071 0.000 1.206 157 W HN -0.342 nan 8.180 nan 0.000 0.637 158 K N 2.543 123.038 120.400 0.158 0.000 2.234 158 K HA 0.328 4.649 4.320 0.001 0.000 0.277 158 K C -2.322 174.137 176.600 -0.236 0.000 1.038 158 K CA -1.709 54.268 56.287 -0.517 0.000 0.888 158 K CB 0.916 32.922 32.500 -0.823 0.000 1.091 158 K HN 0.003 nan 8.250 nan 0.000 0.467 159 P HA 0.009 nan 4.420 nan 0.000 0.268 159 P C -0.973 176.260 177.300 -0.112 0.000 1.205 159 P CA -0.024 62.939 63.100 -0.228 0.000 0.771 159 P CB 0.615 32.121 31.700 -0.324 0.000 0.858 160 K N 1.980 122.399 120.400 0.032 0.000 2.102 160 K HA 0.370 4.691 4.320 0.001 0.000 0.244 160 K C 0.204 176.770 176.600 -0.057 0.000 1.021 160 K CA -0.744 55.529 56.287 -0.022 0.000 0.913 160 K CB 0.424 32.941 32.500 0.028 0.000 1.062 160 K HN 0.363 nan 8.250 nan 0.000 0.485 161 L N 1.912 123.088 121.223 -0.078 0.000 2.421 161 L HA 0.102 4.443 4.340 0.001 0.000 0.263 161 L C 2.187 179.030 176.870 -0.046 0.000 1.122 161 L CA -0.555 54.235 54.840 -0.083 0.000 0.804 161 L CB 0.680 42.661 42.059 -0.130 0.000 1.150 161 L HN 0.848 nan 8.230 nan 0.000 0.457 162 H N 1.492 120.513 119.070 -0.081 0.000 2.387 162 H HA -0.101 4.456 4.556 0.001 0.000 0.299 162 H C 1.589 176.920 175.328 0.004 0.000 1.099 162 H CA 1.886 57.917 56.048 -0.028 0.000 1.315 162 H CB -0.472 29.275 29.762 -0.025 0.000 1.380 162 H HN 0.415 nan 8.280 nan 0.000 0.513 163 V N 2.187 121.669 119.914 -0.720 0.000 2.332 163 V HA -0.273 3.847 4.120 0.001 0.000 0.248 163 V C 2.181 178.174 176.094 -0.169 0.000 1.055 163 V CA 2.186 64.184 62.300 -0.503 0.000 1.038 163 V CB -0.494 30.991 31.823 -0.565 0.000 0.651 163 V HN 0.348 nan 8.190 nan 0.000 0.450 164 D N 0.306 120.623 120.400 -0.137 0.000 2.077 164 D HA -0.102 4.539 4.640 0.001 0.000 0.196 164 D C 2.246 178.542 176.300 -0.006 0.000 0.986 164 D CA 1.168 55.133 54.000 -0.057 0.000 0.829 164 D CB -0.492 40.276 40.800 -0.055 0.000 0.983 164 D HN 0.315 nan 8.370 nan 0.000 0.453 165 L N 0.516 121.744 121.223 0.008 0.000 2.021 165 L HA -0.225 4.116 4.340 0.001 0.000 0.215 165 L C 2.667 179.575 176.870 0.064 0.000 1.074 165 L CA 0.935 55.803 54.840 0.047 0.000 0.760 165 L CB -0.467 41.637 42.059 0.076 0.000 0.889 165 L HN 0.076 nan 8.230 nan 0.000 0.433 166 L N -0.857 120.419 121.223 0.088 0.000 2.081 166 L HA -0.248 4.093 4.340 0.001 0.000 0.212 166 L C 2.758 179.689 176.870 0.103 0.000 1.080 166 L CA 1.233 56.147 54.840 0.123 0.000 0.754 166 L CB -0.475 41.712 42.059 0.214 0.000 0.893 166 L HN 0.339 nan 8.230 nan 0.000 0.433 167 E N 0.273 120.530 120.200 0.094 0.000 2.072 167 E HA -0.177 4.173 4.350 0.001 0.000 0.190 167 E C 2.147 178.771 176.600 0.041 0.000 0.982 167 E CA 1.352 57.799 56.400 0.077 0.000 0.803 167 E CB -0.023 29.719 29.700 0.071 0.000 0.755 167 E HN 0.635 nan 8.360 nan 0.000 0.453 168 I N -1.423 119.165 120.570 0.029 0.000 2.830 168 I HA -0.139 4.032 4.170 0.001 0.000 0.263 168 I C 1.475 177.598 176.117 0.010 0.000 1.230 168 I CA 0.781 62.089 61.300 0.014 0.000 1.480 168 I CB 0.014 38.018 38.000 0.008 0.000 1.095 168 I HN -0.033 nan 8.210 nan 0.000 0.455 169 L N 1.917 123.152 121.223 0.020 0.000 2.554 169 L HA 0.423 4.764 4.340 0.001 0.000 0.225 169 L C 1.562 178.432 176.870 -0.001 0.000 1.104 169 L CA 1.030 55.876 54.840 0.009 0.000 0.866 169 L CB -0.449 41.624 42.059 0.023 0.000 1.047 169 L HN 0.528 nan 8.230 nan 0.000 0.468 170 G N -0.304 108.503 108.800 0.011 0.000 2.246 170 G HA2 -0.248 3.713 3.960 0.001 0.000 0.273 170 G HA3 -0.248 3.713 3.960 0.001 0.000 0.273 170 G C 0.914 175.816 174.900 0.003 0.000 1.055 170 G CA 0.313 45.415 45.100 0.003 0.000 0.851 170 G HN 0.553 nan 8.290 nan 0.000 0.500 171 G N -1.448 107.365 108.800 0.022 0.000 3.277 171 G HA2 0.760 4.721 3.960 0.001 0.000 0.243 171 G HA3 0.760 4.721 3.960 0.001 0.000 0.243 171 G C 0.361 175.273 174.900 0.021 0.000 1.107 171 G CA 1.340 46.456 45.100 0.026 0.000 0.771 171 G HN 1.848 nan 8.290 nan 0.000 0.544 172 A N -0.076 122.741 122.820 -0.004 0.000 2.599 172 A HA 0.575 4.896 4.320 0.001 0.000 0.294 172 A C -2.384 175.128 177.584 -0.119 0.000 1.055 172 A CA -0.548 51.424 52.037 -0.109 0.000 0.683 172 A CB 1.669 20.508 19.000 -0.269 0.000 1.278 172 A HN -0.012 nan 8.150 nan 0.000 0.412 173 D N 1.116 121.418 120.400 -0.162 0.000 2.542 173 D HA 0.550 5.190 4.640 0.001 0.000 0.252 173 D C -0.617 175.674 176.300 -0.015 0.000 1.222 173 D CA -0.251 53.727 54.000 -0.036 0.000 0.895 173 D CB 0.799 41.565 40.800 -0.057 0.000 1.207 173 D HN 0.251 nan 8.370 nan 0.000 0.558 174 F N 2.054 122.118 119.950 0.189 0.000 2.446 174 F HA 0.183 4.711 4.527 0.001 0.000 0.292 174 F C 2.492 178.401 175.800 0.182 0.000 1.096 174 F CA 0.447 58.572 58.000 0.208 0.000 1.438 174 F CB -0.167 38.921 39.000 0.147 0.000 1.107 174 F HN 0.491 nan 8.300 nan 0.000 0.546 175 A N 1.006 124.014 122.820 0.314 0.000 1.873 175 A HA -0.222 4.098 4.320 0.001 0.000 0.218 175 A C 2.264 179.962 177.584 0.191 0.000 1.193 175 A CA 1.869 54.029 52.037 0.206 0.000 0.629 175 A CB -0.755 18.328 19.000 0.138 0.000 0.826 175 A HN 0.306 nan 8.150 nan 0.000 0.447 176 R N -0.691 119.915 120.500 0.177 0.000 2.120 176 R HA -0.030 4.311 4.340 0.001 0.000 0.234 176 R C 2.398 178.913 176.300 0.358 0.000 1.123 176 R CA 1.018 57.226 56.100 0.181 0.000 0.975 176 R CB -0.418 29.891 30.300 0.015 0.000 0.866 176 R HN 0.539 nan 8.270 nan 0.000 0.446 177 A N 1.289 124.376 122.820 0.446 0.000 1.930 177 A HA -0.049 4.272 4.320 0.001 0.000 0.217 177 A C 2.360 180.052 177.584 0.179 0.000 1.175 177 A CA 1.462 53.654 52.037 0.257 0.000 0.627 177 A CB -0.493 18.591 19.000 0.139 0.000 0.815 177 A HN 0.362 nan 8.150 nan 0.000 0.443 178 A N -0.017 122.939 122.820 0.227 0.000 1.972 178 A HA -0.163 4.158 4.320 0.001 0.000 0.219 178 A C 2.101 179.763 177.584 0.129 0.000 1.169 178 A CA 1.986 54.139 52.037 0.192 0.000 0.635 178 A CB -0.417 18.698 19.000 0.191 0.000 0.810 178 A HN 0.598 nan 8.150 nan 0.000 0.446 179 K N -0.493 119.981 120.400 0.124 0.000 2.025 179 K HA -0.058 4.263 4.320 0.001 0.000 0.207 179 K C 1.695 178.328 176.600 0.055 0.000 1.049 179 K CA 1.634 57.972 56.287 0.085 0.000 0.933 179 K CB -0.227 32.323 32.500 0.085 0.000 0.714 179 K HN 0.182 nan 8.250 nan 0.000 0.438 180 V N 0.184 120.133 119.914 0.059 0.000 2.591 180 V HA -0.089 4.032 4.120 0.001 0.000 0.249 180 V C 1.431 177.457 176.094 -0.113 0.000 1.053 180 V CA 1.876 64.174 62.300 -0.005 0.000 1.068 180 V CB 0.484 32.334 31.823 0.044 0.000 0.689 180 V HN 0.384 nan 8.190 nan 0.000 0.462 181 S N -2.326 113.289 115.700 -0.141 0.000 2.691 181 S HA 0.561 5.032 4.470 0.001 0.000 0.258 181 S C 0.547 175.115 174.600 -0.052 0.000 1.078 181 S CA 0.456 58.474 58.200 -0.303 0.000 1.000 181 S CB 1.774 64.442 63.200 -0.887 0.000 0.942 181 S HN 0.831 nan 8.310 nan 0.000 0.521 182 G N 1.877 110.748 108.800 0.118 0.000 2.353 182 G HA2 0.107 4.068 3.960 0.001 0.000 0.615 182 G HA3 0.107 4.068 3.960 0.001 0.000 0.615 182 G C -0.380 174.731 174.900 0.351 0.000 1.280 182 G CA -0.492 44.745 45.100 0.228 0.000 1.000 182 G HN 0.804 nan 8.290 nan 0.000 0.516 183 S N -0.724 115.162 115.700 0.309 0.000 2.596 183 S HA 0.542 5.013 4.470 0.001 0.000 0.260 183 S C 1.074 175.871 174.600 0.328 0.000 1.336 183 S CA 1.092 59.460 58.200 0.279 0.000 0.993 183 S CB 0.762 64.074 63.200 0.188 0.000 0.923 183 S HN 1.714 nan 8.310 nan 0.000 0.567 184 R N -0.876 119.739 120.500 0.192 0.000 3.758 184 R HA -0.155 4.186 4.340 0.001 0.000 0.299 184 R C -1.136 175.143 176.300 -0.035 0.000 1.182 184 R CA 0.949 57.053 56.100 0.008 0.000 0.809 184 R CB -2.340 27.733 30.300 -0.379 0.000 1.249 184 R HN 0.617 nan 8.270 nan 0.000 0.497 185 F N -0.876 119.249 119.950 0.292 0.000 2.640 185 F HA 0.682 5.211 4.527 0.002 0.000 0.324 185 F C 0.182 176.098 175.800 0.193 0.000 1.077 185 F CA -0.772 57.311 58.000 0.138 0.000 0.965 185 F CB 1.564 40.567 39.000 0.005 0.000 1.351 185 F HN 0.023 nan 8.300 nan 0.000 0.487 186 Y N -1.430 118.973 120.300 0.172 0.000 2.750 186 Y HA 0.641 5.192 4.550 0.002 0.000 0.335 186 Y C -2.363 173.431 175.900 -0.177 0.000 1.252 186 Y CA -2.135 55.936 58.100 -0.048 0.000 1.064 186 Y CB 0.864 39.230 38.460 -0.157 0.000 1.321 186 Y HN 0.459 nan 8.280 nan 0.000 0.451 187 Y N 1.281 121.567 120.300 -0.023 0.000 2.391 187 Y HA 0.631 5.181 4.550 0.001 0.000 0.341 187 Y C -1.079 174.849 175.900 0.046 0.000 0.965 187 Y CA -0.928 57.158 58.100 -0.023 0.000 1.067 187 Y CB 1.932 40.359 38.460 -0.054 0.000 1.199 187 Y HN 0.493 nan 8.280 nan 0.000 0.450 188 L N 4.679 126.066 121.223 0.273 0.000 2.322 188 L HA 0.598 4.938 4.340 0.001 0.000 0.279 188 L C -0.661 176.285 176.870 0.128 0.000 1.036 188 L CA -0.632 54.314 54.840 0.177 0.000 0.807 188 L CB 1.214 43.391 42.059 0.197 0.000 1.226 188 L HN 0.522 nan 8.230 nan 0.000 0.433 189 L N 2.759 124.027 121.223 0.076 0.000 2.327 189 L HA 0.597 4.938 4.340 0.001 0.000 0.258 189 L C 0.451 177.344 176.870 0.037 0.000 1.024 189 L CA -1.058 53.812 54.840 0.051 0.000 0.825 189 L CB 1.622 43.691 42.059 0.017 0.000 1.386 189 L HN 0.646 nan 8.230 nan 0.000 0.417 190 N N 1.432 120.145 118.700 0.023 0.000 1.133 190 N HA -0.282 4.459 4.740 0.001 0.000 0.111 190 N C 1.000 176.509 175.510 -0.000 0.000 0.713 190 N CA 1.802 54.850 53.050 -0.004 0.000 0.831 190 N CB -0.561 37.901 38.487 -0.043 0.000 1.095 190 N HN 0.877 nan 8.380 nan 0.000 0.648 191 E N 0.864 121.001 120.200 -0.105 0.000 2.233 191 E HA -0.178 4.173 4.350 0.001 0.000 0.199 191 E C 1.857 178.516 176.600 0.098 0.000 1.004 191 E CA 1.300 57.597 56.400 -0.172 0.000 0.819 191 E CB -0.281 29.058 29.700 -0.603 0.000 0.738 191 E HN 0.503 nan 8.360 nan 0.000 0.478 192 I N 1.218 121.832 120.570 0.074 0.000 2.315 192 I HA -0.160 4.011 4.170 0.001 0.000 0.248 192 I C 2.560 178.764 176.117 0.146 0.000 1.117 192 I CA 0.536 61.908 61.300 0.120 0.000 1.404 192 I CB -0.985 37.066 38.000 0.085 0.000 1.071 192 I HN -0.028 nan 8.210 nan 0.000 0.419 193 V N 1.180 121.175 119.914 0.135 0.000 2.295 193 V HA -0.255 3.866 4.120 0.001 0.000 0.246 193 V C 2.536 178.734 176.094 0.174 0.000 1.049 193 V CA 1.395 63.785 62.300 0.149 0.000 1.024 193 V CB -0.372 31.529 31.823 0.130 0.000 0.648 193 V HN 0.209 nan 8.190 nan 0.000 0.447 194 I N -0.349 120.348 120.570 0.210 0.000 2.286 194 I HA -0.206 3.965 4.170 0.001 0.000 0.248 194 I C 2.408 178.657 176.117 0.220 0.000 1.115 194 I CA 1.574 63.018 61.300 0.240 0.000 1.392 194 I CB -1.277 36.946 38.000 0.370 0.000 1.065 194 I HN 0.334 nan 8.210 nan 0.000 0.418 195 L N 1.210 122.598 121.223 0.274 0.000 2.046 195 L HA -0.222 4.119 4.340 0.001 0.000 0.208 195 L C 2.261 179.212 176.870 0.135 0.000 1.077 195 L CA 1.973 56.935 54.840 0.203 0.000 0.747 195 L CB -0.869 41.337 42.059 0.245 0.000 0.896 195 L HN 0.232 nan 8.230 nan 0.000 0.432 196 D N -0.469 120.019 120.400 0.148 0.000 2.097 196 D HA -0.214 4.427 4.640 0.001 0.000 0.195 196 D C 2.134 178.517 176.300 0.138 0.000 0.989 196 D CA 1.774 55.861 54.000 0.145 0.000 0.827 196 D CB -0.021 40.882 40.800 0.172 0.000 0.966 196 D HN 0.462 nan 8.370 nan 0.000 0.456 197 L N 0.366 121.669 121.223 0.133 0.000 2.141 197 L HA -0.065 4.276 4.340 0.001 0.000 0.209 197 L C 2.740 179.640 176.870 0.050 0.000 1.094 197 L CA 0.873 55.770 54.840 0.095 0.000 0.763 197 L CB -0.418 41.702 42.059 0.103 0.000 0.908 197 L HN 0.010 nan 8.230 nan 0.000 0.437 198 A N 0.186 123.036 122.820 0.050 0.000 1.969 198 A HA -0.114 4.206 4.320 0.001 0.000 0.218 198 A C 2.252 179.756 177.584 -0.132 0.000 1.169 198 A CA 1.136 53.159 52.037 -0.024 0.000 0.635 198 A CB -0.461 18.554 19.000 0.025 0.000 0.810 198 A HN 0.346 nan 8.150 nan 0.000 0.445 199 L N -0.686 120.520 121.223 -0.029 0.000 2.093 199 L HA -0.134 4.207 4.340 0.001 0.000 0.208 199 L C 2.430 179.284 176.870 -0.026 0.000 1.085 199 L CA 1.006 55.849 54.840 0.006 0.000 0.755 199 L CB -0.466 41.615 42.059 0.037 0.000 0.904 199 L HN 0.375 nan 8.230 nan 0.000 0.435 200 I N -0.497 120.059 120.570 -0.024 0.000 2.142 200 I HA -0.303 3.868 4.170 0.001 0.000 0.240 200 I C 2.817 178.877 176.117 -0.094 0.000 1.078 200 I CA 1.036 62.309 61.300 -0.044 0.000 1.343 200 I CB -0.262 37.725 38.000 -0.022 0.000 1.046 200 I HN 0.199 nan 8.210 nan 0.000 0.405 201 R N 1.183 121.619 120.500 -0.106 0.000 2.073 201 R HA -0.230 4.110 4.340 0.001 0.000 0.234 201 R C 2.226 178.376 176.300 -0.249 0.000 1.134 201 R CA 1.745 57.775 56.100 -0.116 0.000 0.952 201 R CB -1.127 29.157 30.300 -0.025 0.000 0.850 201 R HN 0.337 nan 8.270 nan 0.000 0.433 202 F N 0.597 120.121 119.950 -0.709 0.000 2.161 202 F HA -0.100 4.428 4.527 0.001 0.000 0.300 202 F C 1.814 177.449 175.800 -0.276 0.000 1.089 202 F CA 1.630 59.209 58.000 -0.702 0.000 1.282 202 F CB -0.769 37.792 39.000 -0.732 0.000 1.010 202 F HN 0.107 nan 8.300 nan 0.000 0.485 203 A N 0.031 122.505 122.820 -0.576 0.000 1.930 203 A HA -0.020 4.301 4.320 0.001 0.000 0.215 203 A C 2.057 179.428 177.584 -0.354 0.000 1.176 203 A CA 1.225 52.910 52.037 -0.587 0.000 0.632 203 A CB -1.045 17.748 19.000 -0.346 0.000 0.819 203 A HN 0.402 nan 8.150 nan 0.000 0.445 204 L N 0.205 121.299 121.223 -0.216 0.000 2.056 204 L HA -0.128 4.213 4.340 0.001 0.000 0.207 204 L C 1.746 178.569 176.870 -0.077 0.000 1.078 204 L CA 1.996 56.771 54.840 -0.108 0.000 0.749 204 L CB -0.890 41.141 42.059 -0.048 0.000 0.901 204 L HN 0.319 nan 8.230 nan 0.000 0.433 205 D N -0.946 119.413 120.400 -0.069 0.000 2.084 205 D HA -0.183 4.457 4.640 0.001 0.000 0.194 205 D C 2.337 178.620 176.300 -0.029 0.000 0.990 205 D CA 0.925 54.936 54.000 0.018 0.000 0.826 205 D CB 0.022 40.917 40.800 0.157 0.000 0.971 205 D HN -0.001 nan 8.370 nan 0.000 0.453 206 R N 0.008 120.417 120.500 -0.152 0.000 2.189 206 R HA 0.035 4.376 4.340 0.001 0.000 0.223 206 R C 1.920 178.148 176.300 -0.119 0.000 1.092 206 R CA 0.342 56.352 56.100 -0.151 0.000 0.989 206 R CB -0.320 29.791 30.300 -0.315 0.000 0.876 206 R HN 0.169 nan 8.270 nan 0.000 0.457 207 L N -0.382 120.750 121.223 -0.151 0.000 2.209 207 L HA 0.054 4.395 4.340 0.001 0.000 0.207 207 L C 1.934 178.852 176.870 0.081 0.000 1.094 207 L CA 1.210 55.962 54.840 -0.145 0.000 0.790 207 L CB -0.549 41.324 42.059 -0.310 0.000 0.932 207 L HN 0.210 nan 8.230 nan 0.000 0.447 208 I N -0.132 120.481 120.570 0.072 0.000 2.315 208 I HA -0.273 3.898 4.170 0.001 0.000 0.248 208 I C 2.293 178.480 176.117 0.118 0.000 1.117 208 I CA 0.927 62.300 61.300 0.123 0.000 1.404 208 I CB -0.067 37.984 38.000 0.085 0.000 1.071 208 I HN 0.304 nan 8.210 nan 0.000 0.419 209 E N 1.042 121.292 120.200 0.083 0.000 2.118 209 E HA -0.248 4.103 4.350 0.001 0.000 0.195 209 E C 1.697 178.361 176.600 0.107 0.000 0.992 209 E CA 1.147 57.594 56.400 0.079 0.000 0.804 209 E CB -0.106 29.628 29.700 0.058 0.000 0.741 209 E HN 0.453 nan 8.360 nan 0.000 0.458 210 K N -0.552 119.940 120.400 0.153 0.000 2.505 210 K HA 0.056 4.377 4.320 0.001 0.000 0.192 210 K C 0.734 177.506 176.600 0.287 0.000 1.025 210 K CA 0.462 56.885 56.287 0.226 0.000 1.086 210 K CB 0.658 33.320 32.500 0.270 0.000 0.840 210 K HN 0.269 nan 8.250 nan 0.000 0.514 211 G N 1.058 109.993 108.800 0.224 0.000 2.134 211 G HA2 -0.226 3.735 3.960 0.001 0.000 0.209 211 G HA3 -0.226 3.735 3.960 0.001 0.000 0.209 211 G C -0.242 174.660 174.900 0.003 0.000 0.993 211 G CA -0.598 44.560 45.100 0.096 0.000 0.669 211 G HN 0.134 nan 8.290 nan 0.000 0.519 212 F N 1.501 121.460 119.950 0.015 0.000 2.385 212 F HA 0.570 5.098 4.527 0.001 0.000 0.336 212 F C 1.176 176.988 175.800 0.020 0.000 1.100 212 F CA -0.211 57.789 58.000 0.001 0.000 1.116 212 F CB 1.514 40.530 39.000 0.026 0.000 1.166 212 F HN -0.071 nan 8.300 nan 0.000 0.511 213 T N 5.661 120.299 114.554 0.141 0.000 2.737 213 T HA 0.224 4.574 4.350 0.001 0.000 0.296 213 T C -2.453 172.404 174.700 0.261 0.000 0.922 213 T CA -1.158 61.041 62.100 0.164 0.000 1.079 213 T CB 0.504 69.460 68.868 0.148 0.000 0.892 213 T HN 0.237 nan 8.240 nan 0.000 0.514 214 P HA 0.379 nan 4.420 nan 0.000 0.280 214 P C -0.882 176.507 177.300 0.149 0.000 1.244 214 P CA -0.408 62.789 63.100 0.161 0.000 0.784 214 P CB 1.285 33.050 31.700 0.108 0.000 0.913 215 V N 4.312 124.302 119.914 0.126 0.000 2.851 215 V HA 0.507 4.628 4.120 0.001 0.000 0.307 215 V C -1.283 174.842 176.094 0.053 0.000 1.129 215 V CA -1.030 61.316 62.300 0.076 0.000 0.932 215 V CB 1.942 33.788 31.823 0.039 0.000 1.024 215 V HN 0.337 nan 8.190 nan 0.000 0.426 216 I N 8.556 129.151 120.570 0.041 0.000 2.330 216 I HA 0.549 4.720 4.170 0.001 0.000 0.289 216 I C -2.052 174.086 176.117 0.036 0.000 1.001 216 I CA -1.455 59.886 61.300 0.068 0.000 1.193 216 I CB 2.173 40.206 38.000 0.054 0.000 1.345 216 I HN 0.650 nan 8.210 nan 0.000 0.461 217 P HA 0.585 nan 4.420 nan 0.000 0.307 217 P C -2.848 174.461 177.300 0.016 0.000 1.307 217 P CA -2.305 60.810 63.100 0.025 0.000 0.814 217 P CB 0.594 32.307 31.700 0.021 0.000 1.311 218 P HA 0.190 nan 4.420 nan 0.000 0.275 218 P C 0.041 177.435 177.300 0.156 0.000 1.227 218 P CA 0.207 63.270 63.100 -0.063 0.000 0.781 218 P CB 0.090 31.766 31.700 -0.040 0.000 0.906 219 Y N 0.585 120.891 120.300 0.010 0.000 2.482 219 Y HA 0.215 4.765 4.550 0.001 0.000 0.270 219 Y C 0.892 176.812 175.900 0.035 0.000 1.152 219 Y CA -0.221 57.906 58.100 0.045 0.000 1.292 219 Y CB 0.264 38.776 38.460 0.087 0.000 1.070 219 Y HN 0.189 nan 8.280 nan 0.000 0.528 220 M N 1.074 120.763 119.600 0.148 0.000 2.326 220 M HA 0.483 4.964 4.480 0.001 0.000 0.306 220 M C -0.933 175.415 176.300 0.081 0.000 1.054 220 M CA -0.906 54.449 55.300 0.091 0.000 0.922 220 M CB 2.618 35.235 32.600 0.028 0.000 1.632 220 M HN -0.156 nan 8.290 nan 0.000 0.436 221 V N 0.073 120.059 119.914 0.120 0.000 3.141 221 V HA 0.704 4.825 4.120 0.001 0.000 0.312 221 V C -0.566 175.632 176.094 0.174 0.000 1.157 221 V CA -1.223 61.127 62.300 0.083 0.000 1.041 221 V CB 2.043 33.878 31.823 0.020 0.000 1.071 221 V HN 0.883 nan 8.190 nan 0.000 0.441 222 R N 0.161 120.711 120.500 0.083 0.000 2.615 222 R HA 0.425 4.766 4.340 0.001 0.000 0.270 222 R C 1.494 177.871 176.300 0.128 0.000 1.081 222 R CA -0.189 56.027 56.100 0.194 0.000 1.154 222 R CB 0.473 30.914 30.300 0.235 0.000 1.063 222 R HN 0.804 nan 8.270 nan 0.000 0.519 223 R N 1.285 121.926 120.500 0.234 0.000 2.103 223 R HA -0.206 4.134 4.340 0.001 0.000 0.242 223 R C 2.073 178.366 176.300 -0.012 0.000 1.142 223 R CA 2.168 58.189 56.100 -0.132 0.000 0.960 223 R CB -0.321 29.918 30.300 -0.102 0.000 0.858 223 R HN 0.689 nan 8.270 nan 0.000 0.439 224 F N 0.152 120.116 119.950 0.023 0.000 2.161 224 F HA -0.184 4.344 4.527 0.001 0.000 0.300 224 F C 1.928 177.782 175.800 0.090 0.000 1.089 224 F CA 1.208 59.236 58.000 0.048 0.000 1.282 224 F CB -0.981 38.045 39.000 0.043 0.000 1.010 224 F HN -0.085 nan 8.300 nan 0.000 0.485 225 V N -0.088 119.292 119.914 -0.890 0.000 2.667 225 V HA -0.106 4.015 4.120 0.001 0.000 0.252 225 V C 2.185 178.144 176.094 -0.226 0.000 1.065 225 V CA 1.934 63.886 62.300 -0.580 0.000 1.083 225 V CB -0.438 31.017 31.823 -0.614 0.000 0.692 225 V HN 0.355 nan 8.190 nan 0.000 0.468 226 E N 0.970 121.073 120.200 -0.161 0.000 2.028 226 E HA -0.132 4.219 4.350 0.001 0.000 0.190 226 E C 2.229 178.806 176.600 -0.039 0.000 0.984 226 E CA 1.739 58.041 56.400 -0.164 0.000 0.800 226 E CB -0.439 29.126 29.700 -0.225 0.000 0.758 226 E HN 0.813 nan 8.360 nan 0.000 0.448 227 E N 0.016 120.353 120.200 0.229 0.000 2.331 227 E HA -0.119 4.232 4.350 0.001 0.000 0.199 227 E C 1.827 178.721 176.600 0.489 0.000 1.008 227 E CA 0.860 57.574 56.400 0.523 0.000 0.843 227 E CB -0.129 29.858 29.700 0.477 0.000 0.761 227 E HN 0.255 nan 8.360 nan 0.000 0.507 228 G N -0.011 108.955 108.800 0.277 0.000 2.603 228 G HA2 -0.097 3.864 3.960 0.001 0.000 0.214 228 G HA3 -0.097 3.864 3.960 0.001 0.000 0.214 228 G C 1.538 176.499 174.900 0.100 0.000 1.140 228 G CA 0.119 45.347 45.100 0.213 0.000 0.800 228 G HN 0.112 nan 8.290 nan 0.000 0.533 229 S N -0.289 115.397 115.700 -0.023 0.000 2.483 229 S HA 0.164 4.635 4.470 0.001 0.000 0.221 229 S C 0.987 175.595 174.600 0.014 0.000 1.030 229 S CA 0.641 58.775 58.200 -0.110 0.000 0.925 229 S CB 0.428 63.256 63.200 -0.620 0.000 0.795 229 S HN 0.438 nan 8.310 nan 0.000 0.511 230 T N 1.000 115.581 114.554 0.045 0.000 2.742 230 T HA 0.531 4.882 4.350 0.001 0.000 0.282 230 T C -0.320 174.587 174.700 0.344 0.000 1.025 230 T CA -0.891 61.294 62.100 0.142 0.000 1.020 230 T CB 1.310 70.171 68.868 -0.013 0.000 1.317 230 T HN 0.184 nan 8.240 nan 0.000 0.538 231 S N -0.384 115.472 115.700 0.261 0.000 2.601 231 S HA 0.405 4.876 4.470 0.001 0.000 0.271 231 S C 0.735 175.494 174.600 0.265 0.000 1.305 231 S CA -0.907 57.454 58.200 0.269 0.000 1.022 231 S CB -0.127 63.142 63.200 0.114 0.000 0.940 231 S HN 0.596 nan 8.310 nan 0.000 0.525 232 F N 0.099 120.197 119.950 0.247 0.000 2.333 232 F HA -0.093 4.435 4.527 0.001 0.000 0.300 232 F C 2.586 178.516 175.800 0.217 0.000 1.083 232 F CA 0.877 59.054 58.000 0.296 0.000 1.395 232 F CB -0.228 38.922 39.000 0.250 0.000 1.056 232 F HN 0.676 nan 8.300 nan 0.000 0.529 233 E N 1.369 121.715 120.200 0.242 0.000 2.118 233 E HA -0.234 4.116 4.350 0.001 0.000 0.195 233 E C 1.286 177.929 176.600 0.071 0.000 0.992 233 E CA 1.743 58.205 56.400 0.102 0.000 0.804 233 E CB -0.287 29.366 29.700 -0.078 0.000 0.741 233 E HN 0.219 nan 8.360 nan 0.000 0.458 234 D N -0.831 119.575 120.400 0.010 0.000 2.309 234 D HA -0.132 4.509 4.640 0.001 0.000 0.212 234 D C 1.225 177.479 176.300 -0.078 0.000 0.968 234 D CA 0.623 54.584 54.000 -0.065 0.000 0.882 234 D CB -0.257 40.472 40.800 -0.118 0.000 0.918 234 D HN 0.294 nan 8.370 nan 0.000 0.503 235 F N 0.422 120.411 119.950 0.064 0.000 2.186 235 F HA -0.106 4.422 4.527 0.001 0.000 0.299 235 F C 2.413 178.235 175.800 0.035 0.000 1.090 235 F CA 0.931 58.959 58.000 0.047 0.000 1.307 235 F CB 0.109 39.124 39.000 0.024 0.000 1.019 235 F HN -0.086 nan 8.300 nan 0.000 0.489 236 E N 0.388 120.713 120.200 0.208 0.000 2.060 236 E HA -0.140 4.211 4.350 0.001 0.000 0.189 236 E C 1.620 178.251 176.600 0.052 0.000 0.974 236 E CA 1.680 58.151 56.400 0.119 0.000 0.808 236 E CB -0.224 29.538 29.700 0.104 0.000 0.768 236 E HN 0.217 nan 8.360 nan 0.000 0.453 237 D N 0.013 120.432 120.400 0.033 0.000 2.120 237 D HA -0.103 4.538 4.640 0.001 0.000 0.202 237 D C 1.968 178.244 176.300 -0.040 0.000 0.972 237 D CA 1.814 55.811 54.000 -0.005 0.000 0.837 237 D CB -0.024 40.770 40.800 -0.011 0.000 0.989 237 D HN 0.300 nan 8.370 nan 0.000 0.469 238 V N -0.491 119.394 119.914 -0.048 0.000 3.013 238 V HA 0.227 4.348 4.120 0.001 0.000 0.238 238 V C 0.798 176.827 176.094 -0.108 0.000 1.161 238 V CA -0.090 62.169 62.300 -0.068 0.000 1.170 238 V CB 0.193 31.997 31.823 -0.030 0.000 0.917 238 V HN -0.090 nan 8.190 nan 0.000 0.478 239 I N 1.502 122.036 120.570 -0.060 0.000 2.441 239 I HA 0.280 4.451 4.170 0.001 0.000 0.287 239 I C -0.642 175.519 176.117 0.074 0.000 1.049 239 I CA -0.407 60.909 61.300 0.027 0.000 1.381 239 I CB 0.503 38.528 38.000 0.042 0.000 1.409 239 I HN 0.203 nan 8.210 nan 0.000 0.523 240 Y N 5.908 126.320 120.300 0.186 0.000 2.316 240 Y HA 0.315 4.866 4.550 0.001 0.000 0.331 240 Y C 0.403 176.384 175.900 0.136 0.000 1.083 240 Y CA -0.197 57.982 58.100 0.132 0.000 1.206 240 Y CB 0.861 39.354 38.460 0.054 0.000 1.195 240 Y HN 0.446 nan 8.280 nan 0.000 0.497 241 K N 2.464 123.003 120.400 0.232 0.000 2.207 241 K HA 0.617 4.938 4.320 0.001 0.000 0.255 241 K C -1.455 175.082 176.600 -0.104 0.000 0.941 241 K CA -0.867 55.393 56.287 -0.044 0.000 0.825 241 K CB 1.780 34.243 32.500 -0.062 0.000 1.119 241 K HN 0.537 nan 8.250 nan 0.000 0.430 242 V N 3.623 123.400 119.914 -0.229 0.000 2.465 242 V HA 0.159 4.280 4.120 0.001 0.000 0.279 242 V C -0.254 175.751 176.094 -0.148 0.000 1.045 242 V CA -0.345 61.859 62.300 -0.160 0.000 0.938 242 V CB 1.171 32.898 31.823 -0.159 0.000 0.986 242 V HN 0.928 nan 8.190 nan 0.000 0.467 243 E N 4.645 124.786 120.200 -0.098 0.000 2.608 243 E HA -0.067 4.284 4.350 0.001 0.000 0.259 243 E C 0.472 177.024 176.600 -0.081 0.000 0.951 243 E CA 0.966 57.319 56.400 -0.078 0.000 0.945 243 E CB 0.159 29.824 29.700 -0.058 0.000 0.916 243 E HN 0.866 nan 8.360 nan 0.000 0.477 244 D N 1.948 122.305 120.400 -0.071 0.000 3.070 244 D HA -0.194 4.447 4.640 0.001 0.000 0.220 244 D C -0.607 175.652 176.300 -0.069 0.000 1.176 244 D CA 1.296 55.260 54.000 -0.062 0.000 0.924 244 D CB -0.397 40.374 40.800 -0.049 0.000 1.124 244 D HN 0.435 nan 8.370 nan 0.000 0.411 245 E N 0.146 120.287 120.200 -0.098 0.000 2.317 245 E HA 0.281 4.632 4.350 0.001 0.000 0.270 245 E C -0.499 176.019 176.600 -0.137 0.000 0.885 245 E CA -0.606 55.735 56.400 -0.098 0.000 0.760 245 E CB 1.567 31.207 29.700 -0.100 0.000 1.227 245 E HN -0.116 nan 8.360 nan 0.000 0.434 246 D N 2.710 123.068 120.400 -0.070 0.000 2.619 246 D HA 0.260 4.901 4.640 0.001 0.000 0.224 246 D C -0.948 175.342 176.300 -0.017 0.000 1.133 246 D CA 0.058 54.047 54.000 -0.019 0.000 1.017 246 D CB -0.540 40.309 40.800 0.082 0.000 1.077 246 D HN 0.229 nan 8.370 nan 0.000 0.503 247 L N 2.222 123.298 121.223 -0.244 0.000 2.472 247 L HA 0.437 4.778 4.340 0.001 0.000 0.260 247 L C -1.341 175.272 176.870 -0.428 0.000 0.963 247 L CA -1.082 53.672 54.840 -0.144 0.000 0.829 247 L CB 1.908 43.913 42.059 -0.090 0.000 1.348 247 L HN 0.068 nan 8.230 nan 0.000 0.408 248 Y N 1.938 122.279 120.300 0.068 0.000 2.442 248 Y HA 0.455 5.006 4.550 0.002 0.000 0.344 248 Y C -0.160 175.788 175.900 0.081 0.000 0.976 248 Y CA -0.739 57.425 58.100 0.106 0.000 1.040 248 Y CB 1.962 40.529 38.460 0.178 0.000 1.228 248 Y HN 0.288 nan 8.280 nan 0.000 0.451 249 L N 5.192 126.525 121.223 0.184 0.000 2.410 249 L HA 0.268 4.609 4.340 0.001 0.000 0.273 249 L C 0.343 177.346 176.870 0.223 0.000 1.144 249 L CA -0.366 54.535 54.840 0.102 0.000 0.863 249 L CB 0.231 42.240 42.059 -0.083 0.000 1.140 249 L HN 0.624 nan 8.230 nan 0.000 0.463 250 I N 3.135 123.831 120.570 0.209 0.000 2.588 250 I HA 0.195 4.365 4.170 0.001 0.000 0.283 250 I C -1.726 174.435 176.117 0.074 0.000 1.119 250 I CA -1.266 60.107 61.300 0.122 0.000 1.419 250 I CB 0.765 38.805 38.000 0.068 0.000 1.394 250 I HN 0.430 nan 8.210 nan 0.000 0.562 251 P HA 0.099 nan 4.420 nan 0.000 0.261 251 P C 0.104 177.259 177.300 -0.241 0.000 1.268 251 P CA 0.295 63.325 63.100 -0.116 0.000 0.833 251 P CB 0.346 31.995 31.700 -0.084 0.000 1.231 252 T N -2.019 112.349 114.554 -0.311 0.000 3.401 252 T HA 0.389 4.740 4.350 0.001 0.000 0.405 252 T C 0.401 174.989 174.700 -0.188 0.000 1.688 252 T CA 0.101 62.051 62.100 -0.249 0.000 1.143 252 T CB 0.259 69.006 68.868 -0.201 0.000 1.526 252 T HN -0.167 nan 8.240 nan 0.000 0.472 253 A N 2.347 125.101 122.820 -0.111 0.000 2.234 253 A HA 0.006 4.327 4.320 0.001 0.000 0.216 253 A C 1.859 179.436 177.584 -0.012 0.000 1.167 253 A CA 1.974 53.982 52.037 -0.049 0.000 0.698 253 A CB -0.688 18.297 19.000 -0.024 0.000 0.779 253 A HN 0.892 nan 8.150 nan 0.000 0.475 254 E N -0.381 119.836 120.200 0.028 0.000 2.072 254 E HA -0.230 4.121 4.350 0.001 0.000 0.191 254 E C 1.609 178.302 176.600 0.155 0.000 0.985 254 E CA 1.248 57.753 56.400 0.175 0.000 0.801 254 E CB -0.307 29.563 29.700 0.283 0.000 0.750 254 E HN 0.882 nan 8.360 nan 0.000 0.452 255 H N 0.394 119.454 119.070 -0.017 0.000 2.293 255 H HA -0.057 4.500 4.556 0.001 0.000 0.300 255 H C -0.603 174.650 175.328 -0.125 0.000 1.082 255 H CA 1.299 57.318 56.048 -0.048 0.000 1.308 255 H CB -0.886 28.859 29.762 -0.029 0.000 1.375 255 H HN 0.342 nan 8.280 nan 0.000 0.495 256 P HA -0.112 nan 4.420 nan 0.000 0.221 256 P C 1.469 178.652 177.300 -0.195 0.000 1.150 256 P CA 0.846 63.900 63.100 -0.077 0.000 0.800 256 P CB 0.100 31.780 31.700 -0.033 0.000 0.787 257 L N -0.163 120.894 121.223 -0.278 0.000 2.201 257 L HA -0.004 4.336 4.340 0.001 0.000 0.212 257 L C 2.527 178.910 176.870 -0.812 0.000 1.105 257 L CA 1.454 55.977 54.840 -0.528 0.000 0.775 257 L CB -1.641 40.106 42.059 -0.520 0.000 0.913 257 L HN -0.044 nan 8.230 nan 0.000 0.440 258 A N -1.552 120.871 122.820 -0.662 0.000 1.997 258 A HA 0.200 4.521 4.320 0.001 0.000 0.212 258 A C 2.307 179.877 177.584 -0.023 0.000 1.178 258 A CA 0.802 52.603 52.037 -0.393 0.000 0.698 258 A CB -0.880 18.083 19.000 -0.063 0.000 0.842 258 A HN 0.377 nan 8.150 nan 0.000 0.458 259 G N -0.456 108.297 108.800 -0.077 0.000 2.408 259 G HA2 -0.237 3.724 3.960 0.001 0.000 0.217 259 G HA3 -0.237 3.724 3.960 0.001 0.000 0.217 259 G C 1.548 176.445 174.900 -0.006 0.000 1.150 259 G CA 1.111 46.197 45.100 -0.023 0.000 0.776 259 G HN 0.432 nan 8.290 nan 0.000 0.542 260 M N 0.043 119.561 119.600 -0.137 0.000 2.128 260 M HA -0.214 4.267 4.480 0.001 0.000 0.253 260 M C 1.350 177.415 176.300 -0.391 0.000 1.079 260 M CA 1.545 56.661 55.300 -0.306 0.000 1.082 260 M CB -0.137 32.156 32.600 -0.512 0.000 1.335 260 M HN 0.259 nan 8.290 nan 0.000 0.401 261 H N -0.755 118.350 119.070 0.059 0.000 2.469 261 H HA 0.416 4.973 4.556 0.001 0.000 0.286 261 H C -0.030 175.372 175.328 0.123 0.000 1.106 261 H CA 0.189 56.254 56.048 0.029 0.000 1.055 261 H CB -0.546 29.120 29.762 -0.161 0.000 1.618 261 H HN 0.369 nan 8.280 nan 0.000 0.559 262 A N 1.269 124.225 122.820 0.226 0.000 2.483 262 A HA 0.029 4.350 4.320 0.001 0.000 0.238 262 A C 0.806 178.506 177.584 0.193 0.000 1.070 262 A CA -0.157 52.038 52.037 0.263 0.000 0.770 262 A CB 0.033 19.259 19.000 0.377 0.000 1.008 262 A HN 0.637 nan 8.150 nan 0.000 0.497 263 N N 0.804 119.610 118.700 0.176 0.000 2.696 263 N HA -0.136 4.605 4.740 0.001 0.000 0.256 263 N C -0.344 175.227 175.510 0.100 0.000 1.031 263 N CA 1.678 54.797 53.050 0.115 0.000 0.730 263 N CB -0.727 37.796 38.487 0.060 0.000 0.894 263 N HN 0.869 nan 8.380 nan 0.000 0.544 264 E N -0.154 120.117 120.200 0.118 0.000 2.445 264 E HA 0.614 4.965 4.350 0.001 0.000 0.273 264 E C -0.100 176.542 176.600 0.069 0.000 0.961 264 E CA -0.813 55.642 56.400 0.091 0.000 0.807 264 E CB 1.790 31.562 29.700 0.119 0.000 1.362 264 E HN 0.088 nan 8.360 nan 0.000 0.453 265 I N 2.632 123.227 120.570 0.041 0.000 2.563 265 I HA 0.221 4.391 4.170 0.001 0.000 0.276 265 I C -0.502 175.632 176.117 0.027 0.000 1.074 265 I CA -0.378 60.937 61.300 0.025 0.000 1.124 265 I CB 0.632 38.627 38.000 -0.009 0.000 1.225 265 I HN 0.245 nan 8.210 nan 0.000 0.482 266 L N 3.695 124.945 121.223 0.044 0.000 2.467 266 L HA 0.131 4.472 4.340 0.001 0.000 0.270 266 L C 0.405 177.313 176.870 0.063 0.000 1.205 266 L CA 0.017 54.861 54.840 0.008 0.000 0.828 266 L CB 0.285 42.314 42.059 -0.050 0.000 1.101 266 L HN 0.508 nan 8.230 nan 0.000 0.479 267 D N 0.840 121.255 120.400 0.024 0.000 2.347 267 D HA 0.188 4.829 4.640 0.001 0.000 0.235 267 D C 1.212 177.557 176.300 0.076 0.000 1.149 267 D CA 0.064 54.092 54.000 0.046 0.000 0.850 267 D CB 1.666 42.474 40.800 0.013 0.000 1.061 267 D HN 0.580 nan 8.370 nan 0.000 0.487 268 G N 4.193 113.106 108.800 0.188 0.000 2.661 268 G HA2 -0.414 3.547 3.960 0.001 0.000 0.224 268 G HA3 -0.414 3.547 3.960 0.001 0.000 0.224 268 G C 1.545 176.480 174.900 0.059 0.000 1.114 268 G CA 1.116 46.344 45.100 0.214 0.000 0.751 268 G HN 0.489 nan 8.290 nan 0.000 0.609 269 K N 0.649 121.075 120.400 0.044 0.000 2.127 269 K HA -0.090 4.230 4.320 0.001 0.000 0.208 269 K C 2.072 178.662 176.600 -0.016 0.000 1.047 269 K CA 1.613 57.908 56.287 0.013 0.000 0.927 269 K CB -0.207 32.300 32.500 0.010 0.000 0.716 269 K HN 0.321 nan 8.250 nan 0.000 0.450 270 D N -0.311 120.068 120.400 -0.035 0.000 2.289 270 D HA -0.046 4.595 4.640 0.001 0.000 0.207 270 D C 0.038 176.269 176.300 -0.114 0.000 0.966 270 D CA 0.178 54.134 54.000 -0.074 0.000 0.868 270 D CB 0.003 40.751 40.800 -0.086 0.000 0.943 270 D HN -0.004 nan 8.370 nan 0.000 0.514 271 L N 2.960 124.111 121.223 -0.120 0.000 2.490 271 L HA 0.116 4.457 4.340 0.001 0.000 0.274 271 L C -1.754 175.041 176.870 -0.124 0.000 1.201 271 L CA -1.028 53.709 54.840 -0.172 0.000 0.869 271 L CB -0.206 41.704 42.059 -0.249 0.000 1.123 271 L HN -0.064 nan 8.230 nan 0.000 0.484 272 P HA 0.253 nan 4.420 nan 0.000 0.286 272 P C -1.151 175.943 177.300 -0.344 0.000 1.261 272 P CA -0.625 62.293 63.100 -0.303 0.000 0.821 272 P CB 1.112 32.502 31.700 -0.518 0.000 1.013 273 L N 3.001 124.042 121.223 -0.304 0.000 2.264 273 L HA 0.300 4.640 4.340 0.001 0.000 0.289 273 L C -0.074 176.521 176.870 -0.458 0.000 1.044 273 L CA -0.932 53.689 54.840 -0.364 0.000 0.807 273 L CB 0.671 42.593 42.059 -0.227 0.000 1.192 273 L HN 0.175 nan 8.230 nan 0.000 0.425 274 L N 5.223 126.040 121.223 -0.677 0.000 2.283 274 L HA 0.411 4.752 4.340 0.001 0.000 0.281 274 L C -0.447 176.174 176.870 -0.415 0.000 1.033 274 L CA -0.439 53.948 54.840 -0.754 0.000 0.848 274 L CB 0.078 41.313 42.059 -1.373 0.000 1.226 274 L HN 0.319 nan 8.230 nan 0.000 0.429 275 Y N 1.678 122.124 120.300 0.244 0.000 2.420 275 Y HA 0.596 5.146 4.550 0.001 0.000 0.334 275 Y C 0.283 176.440 175.900 0.429 0.000 1.094 275 Y CA -0.905 57.387 58.100 0.320 0.000 1.126 275 Y CB 2.254 40.877 38.460 0.271 0.000 1.217 275 Y HN 0.169 nan 8.280 nan 0.000 0.462 276 V N 3.475 123.666 119.914 0.462 0.000 2.385 276 V HA 0.751 4.872 4.120 0.001 0.000 0.277 276 V C -0.111 176.080 176.094 0.162 0.000 1.012 276 V CA -0.252 62.191 62.300 0.239 0.000 0.832 276 V CB 0.364 32.245 31.823 0.098 0.000 1.028 276 V HN 0.881 nan 8.190 nan 0.000 0.436 277 G N 4.769 113.646 108.800 0.130 0.000 2.477 277 G HA2 0.633 4.594 3.960 0.001 0.000 0.304 277 G HA3 0.633 4.594 3.960 0.001 0.000 0.304 277 G C -0.988 173.929 174.900 0.029 0.000 1.175 277 G CA -0.494 44.649 45.100 0.072 0.000 0.907 277 G HN 0.897 nan 8.290 nan 0.000 0.509 278 V N 0.179 120.103 119.914 0.017 0.000 2.789 278 V HA 0.843 4.964 4.120 0.001 0.000 0.311 278 V C -0.043 176.022 176.094 -0.049 0.000 1.073 278 V CA -0.269 62.016 62.300 -0.025 0.000 0.921 278 V CB 1.338 33.147 31.823 -0.023 0.000 1.009 278 V HN 1.441 nan 8.190 nan 0.000 0.426 279 S N 3.979 119.578 115.700 -0.168 0.000 2.633 279 S HA 0.634 5.105 4.470 0.001 0.000 0.271 279 S C -3.495 170.816 174.600 -0.483 0.000 1.112 279 S CA -0.995 56.982 58.200 -0.372 0.000 0.828 279 S CB 1.908 64.915 63.200 -0.322 0.000 1.086 279 S HN 0.426 nan 8.310 nan 0.000 0.461 280 P HA 0.645 nan 4.420 nan 0.000 0.276 280 P C -0.949 175.909 177.300 -0.736 0.000 1.252 280 P CA -0.476 62.293 63.100 -0.551 0.000 0.802 280 P CB 0.512 31.921 31.700 -0.484 0.000 1.035 281 C N 1.358 120.019 119.300 -1.064 0.000 2.547 281 C HA 0.614 5.074 4.460 0.001 0.000 0.313 281 C C -0.947 173.439 174.990 -1.005 0.000 1.191 281 C CA -0.254 58.172 59.018 -0.986 0.000 1.474 281 C CB 0.083 26.942 27.740 -1.468 0.000 2.081 281 C HN 0.426 nan 8.230 nan 0.000 0.476 282 F N 1.980 121.860 119.950 -0.117 0.000 2.507 282 F HA 0.711 5.239 4.527 0.001 0.000 0.325 282 F C 0.475 176.412 175.800 0.227 0.000 1.116 282 F CA -0.622 57.456 58.000 0.131 0.000 0.930 282 F CB 1.160 40.281 39.000 0.202 0.000 1.146 282 F HN 0.309 nan 8.300 nan 0.000 0.447 283 R N 2.091 122.865 120.500 0.455 0.000 2.574 283 R HA 0.333 4.673 4.340 0.001 0.000 0.288 283 R C 0.455 176.912 176.300 0.262 0.000 1.004 283 R CA -0.910 55.346 56.100 0.262 0.000 0.895 283 R CB 2.402 32.819 30.300 0.195 0.000 1.191 283 R HN 0.638 nan 8.270 nan 0.000 0.444 284 K N 1.205 121.528 120.400 -0.129 0.000 2.209 284 K HA -0.102 4.218 4.320 0.001 0.000 0.204 284 K C -0.235 176.457 176.600 0.154 0.000 1.048 284 K CA 0.816 56.990 56.287 -0.190 0.000 0.940 284 K CB 0.184 32.458 32.500 -0.377 0.000 0.729 284 K HN 0.516 nan 8.250 nan 0.000 0.451 285 E N -1.164 119.075 120.200 0.066 0.000 2.199 285 E HA -0.258 4.093 4.350 0.001 0.000 0.208 285 E C 0.415 177.046 176.600 0.051 0.000 1.310 285 E CA 0.662 57.074 56.400 0.019 0.000 0.709 285 E CB -1.513 28.137 29.700 -0.084 0.000 1.127 285 E HN 0.484 nan 8.360 nan 0.000 0.354 286 A N -0.221 122.621 122.820 0.035 0.000 1.970 286 A HA 0.128 4.448 4.320 0.001 0.000 0.216 286 A C 2.276 179.877 177.584 0.028 0.000 1.170 286 A CA 1.398 53.459 52.037 0.041 0.000 0.645 286 A CB -0.117 18.896 19.000 0.022 0.000 0.816 286 A HN 0.411 nan 8.150 nan 0.000 0.447 287 G N -0.164 108.643 108.800 0.011 0.000 2.484 287 G HA2 0.087 4.048 3.960 0.001 0.000 0.218 287 G HA3 0.087 4.048 3.960 0.001 0.000 0.218 287 G C 0.956 175.860 174.900 0.007 0.000 1.130 287 G CA 1.172 46.276 45.100 0.007 0.000 0.784 287 G HN 0.666 nan 8.290 nan 0.000 0.543 288 T N -1.404 113.152 114.554 0.003 0.000 2.723 288 T HA 0.667 5.018 4.350 0.001 0.000 0.297 288 T C 1.174 175.881 174.700 0.012 0.000 0.925 288 T CA 0.130 62.230 62.100 0.000 0.000 1.030 288 T CB 1.835 70.693 68.868 -0.017 0.000 0.905 288 T HN 0.115 nan 8.240 nan 0.000 0.502 289 A N 3.510 126.339 122.820 0.014 0.000 1.850 289 A HA 0.586 4.906 4.320 0.001 0.000 0.212 289 A C 1.655 179.249 177.584 0.017 0.000 1.208 289 A CA 0.494 52.543 52.037 0.020 0.000 0.609 289 A CB -0.440 18.571 19.000 0.019 0.000 0.860 289 A HN 1.361 nan 8.150 nan 0.000 0.448 290 G N -0.832 107.974 108.800 0.010 0.000 4.485 290 G HA2 0.395 4.356 3.960 0.001 0.000 0.238 290 G HA3 0.395 4.356 3.960 0.001 0.000 0.238 290 G C 0.188 175.088 174.900 0.001 0.000 1.216 290 G CA -0.113 44.991 45.100 0.006 0.000 0.611 290 G HN 0.239 nan 8.290 nan 0.000 0.422 291 K N -0.125 120.276 120.400 0.002 0.000 2.276 291 K HA 0.149 4.469 4.320 0.001 0.000 0.198 291 K C -0.234 176.369 176.600 0.004 0.000 1.052 291 K CA 0.383 56.672 56.287 0.003 0.000 0.984 291 K CB 0.715 33.221 32.500 0.009 0.000 0.836 291 K HN 0.156 nan 8.250 nan 0.000 0.490 292 D N 1.384 121.790 120.400 0.009 0.000 2.846 292 D HA 0.011 4.652 4.640 0.001 0.000 0.279 292 D C -1.018 175.281 176.300 -0.002 0.000 1.222 292 D CA 0.018 54.030 54.000 0.020 0.000 0.769 292 D CB 1.350 42.210 40.800 0.099 0.000 1.299 292 D HN -0.069 nan 8.370 nan 0.000 0.537 293 T N 0.572 115.111 114.554 -0.026 0.000 2.910 293 T HA 0.287 4.638 4.350 0.001 0.000 0.293 293 T C 0.086 174.730 174.700 -0.094 0.000 1.015 293 T CA 0.170 62.246 62.100 -0.040 0.000 1.094 293 T CB 0.822 69.674 68.868 -0.027 0.000 0.968 293 T HN 0.289 nan 8.240 nan 0.000 0.521 294 K N 1.840 122.168 120.400 -0.119 0.000 6.958 294 K HA 0.086 4.407 4.320 0.001 0.000 0.740 294 K C -0.109 176.231 176.600 -0.433 0.000 2.386 294 K CA 1.476 57.580 56.287 -0.304 0.000 1.731 294 K CB -1.331 30.981 32.500 -0.313 0.000 1.907 294 K HN 1.546 nan 8.250 nan 0.000 0.304 295 G N 2.738 111.178 108.800 -0.600 0.000 2.325 295 G HA2 0.247 4.208 3.960 0.001 0.000 0.285 295 G HA3 0.247 4.208 3.960 0.001 0.000 0.285 295 G C -0.077 174.978 174.900 0.258 0.000 1.303 295 G CA -0.430 44.489 45.100 -0.301 0.000 0.970 295 G HN 1.461 nan 8.290 nan 0.000 0.490 296 I N -2.777 118.058 120.570 0.442 0.000 3.491 296 I HA 0.597 4.768 4.170 0.001 0.000 0.332 296 I C 0.878 176.988 176.117 -0.011 0.000 1.565 296 I CA -0.291 61.054 61.300 0.074 0.000 1.050 296 I CB 0.145 38.028 38.000 -0.194 0.000 1.348 296 I HN 0.319 nan 8.210 nan 0.000 0.506 297 F N 2.314 122.211 119.950 -0.088 0.000 2.243 297 F HA 0.369 4.897 4.527 0.001 0.000 0.287 297 F C 1.282 176.954 175.800 -0.214 0.000 1.067 297 F CA 0.437 58.318 58.000 -0.199 0.000 1.304 297 F CB 0.364 39.261 39.000 -0.172 0.000 1.087 297 F HN 0.052 nan 8.300 nan 0.000 0.513 298 R N 1.466 121.875 120.500 -0.151 0.000 2.239 298 R HA 0.554 4.895 4.340 0.001 0.000 0.332 298 R C -1.591 174.581 176.300 -0.214 0.000 0.988 298 R CA -0.291 55.657 56.100 -0.255 0.000 0.859 298 R CB 0.932 31.166 30.300 -0.111 0.000 1.148 298 R HN 0.100 nan 8.270 nan 0.000 0.482 299 V N 0.128 119.883 119.914 -0.264 0.000 3.182 299 V HA 0.391 4.512 4.120 0.001 0.000 0.308 299 V C 0.342 176.295 176.094 -0.236 0.000 1.240 299 V CA -0.842 61.319 62.300 -0.232 0.000 1.063 299 V CB 1.989 33.806 31.823 -0.010 0.000 1.076 299 V HN 0.728 nan 8.190 nan 0.000 0.446 300 H N 0.474 119.424 119.070 -0.201 0.000 2.512 300 H HA 0.191 4.747 4.556 0.001 0.000 0.279 300 H C 0.724 176.027 175.328 -0.041 0.000 0.999 300 H CA 1.420 57.364 56.048 -0.173 0.000 1.283 300 H CB 0.547 29.944 29.762 -0.609 0.000 1.421 300 H HN 0.815 nan 8.280 nan 0.000 0.554 301 Q N -0.110 119.705 119.800 0.026 0.000 2.379 301 Q HA 0.461 4.802 4.340 0.001 0.000 0.278 301 Q C -1.594 174.485 176.000 0.131 0.000 1.068 301 Q CA -0.986 54.755 55.803 -0.103 0.000 0.816 301 Q CB 2.766 31.389 28.738 -0.191 0.000 1.387 301 Q HN 0.051 nan 8.270 nan 0.000 0.413 302 F N -2.288 117.502 119.950 -0.268 0.000 2.807 302 F HA 0.517 5.044 4.527 0.001 0.000 0.316 302 F C -1.763 173.931 175.800 -0.176 0.000 1.162 302 F CA -1.058 56.815 58.000 -0.212 0.000 0.910 302 F CB 0.975 39.877 39.000 -0.164 0.000 1.314 302 F HN 0.658 nan 8.300 nan 0.000 0.454 303 H N 0.676 119.738 119.070 -0.014 0.000 2.479 303 H HA 0.696 5.253 4.556 0.001 0.000 0.335 303 H C -1.047 174.275 175.328 -0.010 0.000 1.142 303 H CA -1.069 54.898 56.048 -0.135 0.000 1.234 303 H CB 2.113 31.850 29.762 -0.041 0.000 1.503 303 H HN 0.686 nan 8.280 nan 0.000 0.510 304 K N 1.926 122.341 120.400 0.025 0.000 2.557 304 K HA 0.299 4.620 4.320 0.001 0.000 0.257 304 K C -1.968 174.631 176.600 -0.001 0.000 0.933 304 K CA -0.580 55.746 56.287 0.065 0.000 0.820 304 K CB 1.957 34.530 32.500 0.122 0.000 1.330 304 K HN 0.336 nan 8.250 nan 0.000 0.432 305 V N 3.255 123.175 119.914 0.011 0.000 2.364 305 V HA 0.314 4.435 4.120 0.001 0.000 0.272 305 V C -0.275 175.815 176.094 -0.008 0.000 1.036 305 V CA -0.421 61.868 62.300 -0.019 0.000 0.880 305 V CB 1.045 32.836 31.823 -0.052 0.000 0.991 305 V HN 0.810 nan 8.190 nan 0.000 0.460 306 E N 3.606 123.813 120.200 0.011 0.000 2.221 306 E HA 0.516 4.867 4.350 0.001 0.000 0.268 306 E C -0.849 175.787 176.600 0.061 0.000 0.933 306 E CA -0.594 55.830 56.400 0.039 0.000 0.809 306 E CB 1.657 31.400 29.700 0.072 0.000 1.190 306 E HN 0.685 nan 8.360 nan 0.000 0.406 307 Q N 2.390 122.222 119.800 0.054 0.000 2.290 307 Q HA 0.436 4.777 4.340 0.001 0.000 0.259 307 Q C -1.272 174.861 176.000 0.222 0.000 0.941 307 Q CA -0.573 55.278 55.803 0.080 0.000 0.912 307 Q CB 1.561 30.265 28.738 -0.057 0.000 1.244 307 Q HN 0.433 nan 8.270 nan 0.000 0.441 308 F N 1.923 121.984 119.950 0.184 0.000 2.551 308 F HA 0.612 5.140 4.527 0.001 0.000 0.316 308 F C -1.296 174.550 175.800 0.077 0.000 1.089 308 F CA -0.871 57.190 58.000 0.101 0.000 0.915 308 F CB 1.577 40.641 39.000 0.106 0.000 1.186 308 F HN 0.253 nan 8.300 nan 0.000 0.456 309 V N 5.596 125.279 119.914 -0.385 0.000 2.569 309 V HA 0.284 4.405 4.120 0.001 0.000 0.301 309 V C -1.388 174.462 176.094 -0.407 0.000 1.044 309 V CA -0.891 61.208 62.300 -0.334 0.000 0.874 309 V CB 1.566 33.108 31.823 -0.470 0.000 1.002 309 V HN 0.596 nan 8.190 nan 0.000 0.424 310 Y N 2.864 123.078 120.300 -0.143 0.000 2.367 310 Y HA 0.618 5.168 4.550 0.001 0.000 0.342 310 Y C 0.709 176.433 175.900 -0.293 0.000 0.979 310 Y CA 0.317 58.360 58.100 -0.096 0.000 1.161 310 Y CB 1.847 40.310 38.460 0.005 0.000 1.155 310 Y HN 0.641 nan 8.280 nan 0.000 0.503 311 S N 3.830 119.437 115.700 -0.155 0.000 2.599 311 S HA 0.613 5.084 4.470 0.001 0.000 0.287 311 S C -0.815 173.609 174.600 -0.293 0.000 1.105 311 S CA -1.090 56.959 58.200 -0.250 0.000 0.899 311 S CB 0.999 64.054 63.200 -0.242 0.000 1.100 311 S HN 0.713 nan 8.310 nan 0.000 0.482 312 R N 2.275 122.576 120.500 -0.332 0.000 2.543 312 R HA 0.212 4.553 4.340 0.001 0.000 0.277 312 R C -1.901 174.185 176.300 -0.357 0.000 1.074 312 R CA -1.442 54.376 56.100 -0.469 0.000 1.076 312 R CB -0.132 29.989 30.300 -0.299 0.000 0.993 312 R HN 0.465 nan 8.270 nan 0.000 0.459 313 P HA -0.254 nan 4.420 nan 0.000 0.217 313 P C 0.715 177.814 177.300 -0.335 0.000 1.151 313 P CA 1.387 64.017 63.100 -0.782 0.000 0.849 313 P CB 0.152 31.581 31.700 -0.452 0.000 0.787 314 E N -0.261 119.874 120.200 -0.108 0.000 2.502 314 E HA -0.086 4.265 4.350 0.001 0.000 0.194 314 E C 0.808 177.447 176.600 0.065 0.000 1.062 314 E CA 0.777 57.192 56.400 0.026 0.000 0.867 314 E CB -0.497 29.233 29.700 0.050 0.000 0.888 314 E HN 0.413 nan 8.360 nan 0.000 0.510 315 E N 0.461 120.689 120.200 0.047 0.000 2.601 315 E HA 0.042 4.393 4.350 0.001 0.000 0.219 315 E C 1.478 178.206 176.600 0.213 0.000 0.964 315 E CA 0.450 56.930 56.400 0.132 0.000 1.050 315 E CB 0.663 30.480 29.700 0.194 0.000 1.068 315 E HN 0.264 nan 8.360 nan 0.000 0.496 316 S N 0.347 116.088 115.700 0.069 0.000 2.370 316 S HA -0.202 4.268 4.470 0.001 0.000 0.226 316 S C 1.619 176.173 174.600 -0.076 0.000 1.033 316 S CA 0.707 58.895 58.200 -0.019 0.000 1.011 316 S CB -0.684 62.436 63.200 -0.134 0.000 0.852 316 S HN 0.398 nan 8.310 nan 0.000 0.457 317 W N 2.146 123.531 121.300 0.143 0.000 2.402 317 W HA 0.118 4.779 4.660 0.001 0.000 0.286 317 W C 2.673 179.247 176.519 0.092 0.000 1.221 317 W CA 0.627 58.032 57.345 0.101 0.000 1.257 317 W CB -0.184 29.288 29.460 0.020 0.000 1.120 317 W HN 0.451 nan 8.180 nan 0.000 0.551 318 E N -0.521 119.802 120.200 0.206 0.000 2.153 318 E HA -0.224 4.126 4.350 0.001 0.000 0.194 318 E C 1.651 178.198 176.600 -0.088 0.000 0.988 318 E CA 1.399 57.800 56.400 0.003 0.000 0.811 318 E CB -0.453 29.160 29.700 -0.144 0.000 0.746 318 E HN 0.399 nan 8.360 nan 0.000 0.466 319 W N -0.135 121.205 121.300 0.066 0.000 2.476 319 W HA -0.026 4.635 4.660 0.001 0.000 0.281 319 W C 2.374 178.950 176.519 0.095 0.000 1.230 319 W CA 0.979 58.354 57.345 0.049 0.000 1.287 319 W CB -0.272 29.181 29.460 -0.011 0.000 1.108 319 W HN 0.284 nan 8.180 nan 0.000 0.567 320 H N 0.132 119.322 119.070 0.200 0.000 2.387 320 H HA -0.188 4.368 4.556 0.001 0.000 0.299 320 H C 1.704 177.169 175.328 0.229 0.000 1.099 320 H CA 1.747 57.877 56.048 0.136 0.000 1.315 320 H CB 0.295 30.096 29.762 0.066 0.000 1.380 320 H HN 0.078 nan 8.280 nan 0.000 0.513 321 E N 0.467 120.760 120.200 0.156 0.000 2.158 321 E HA -0.061 4.290 4.350 0.001 0.000 0.191 321 E C 2.184 178.794 176.600 0.016 0.000 0.982 321 E CA 0.738 57.169 56.400 0.051 0.000 0.823 321 E CB 0.214 29.948 29.700 0.057 0.000 0.766 321 E HN 0.446 nan 8.360 nan 0.000 0.468 322 K N 0.255 120.681 120.400 0.044 0.000 2.057 322 K HA -0.079 4.241 4.320 0.001 0.000 0.206 322 K C 2.282 178.954 176.600 0.119 0.000 1.050 322 K CA 1.608 57.917 56.287 0.037 0.000 0.935 322 K CB -0.343 32.129 32.500 -0.047 0.000 0.715 322 K HN 0.334 nan 8.250 nan 0.000 0.439 323 I N -1.036 119.653 120.570 0.197 0.000 2.286 323 I HA -0.149 4.022 4.170 0.001 0.000 0.245 323 I C 2.336 178.479 176.117 0.044 0.000 1.104 323 I CA 0.888 62.276 61.300 0.146 0.000 1.397 323 I CB -0.392 37.718 38.000 0.183 0.000 1.072 323 I HN -0.086 nan 8.210 nan 0.000 0.417 324 I N 2.024 122.613 120.570 0.031 0.000 2.208 324 I HA -0.250 3.921 4.170 0.001 0.000 0.245 324 I C 2.734 178.807 176.117 -0.074 0.000 1.097 324 I CA 1.554 62.841 61.300 -0.022 0.000 1.363 324 I CB -0.586 37.399 38.000 -0.025 0.000 1.051 324 I HN 0.152 nan 8.210 nan 0.000 0.413 325 R N 0.078 120.540 120.500 -0.064 0.000 2.092 325 R HA -0.100 4.241 4.340 0.001 0.000 0.231 325 R C 2.005 178.272 176.300 -0.055 0.000 1.119 325 R CA 1.277 57.336 56.100 -0.068 0.000 0.970 325 R CB -0.601 29.666 30.300 -0.055 0.000 0.864 325 R HN 0.426 nan 8.270 nan 0.000 0.440 326 N N 1.334 120.013 118.700 -0.035 0.000 2.069 326 N HA -0.169 4.572 4.740 0.001 0.000 0.191 326 N C 1.742 177.205 175.510 -0.079 0.000 1.031 326 N CA 1.710 54.726 53.050 -0.056 0.000 0.852 326 N CB -0.468 37.976 38.487 -0.072 0.000 1.018 326 N HN 0.216 nan 8.380 nan 0.000 0.423 327 A N 1.363 124.144 122.820 -0.066 0.000 1.883 327 A HA -0.181 4.140 4.320 0.001 0.000 0.217 327 A C 2.126 179.709 177.584 -0.001 0.000 1.186 327 A CA 1.567 53.590 52.037 -0.023 0.000 0.624 327 A CB -0.641 18.343 19.000 -0.026 0.000 0.822 327 A HN 0.360 nan 8.150 nan 0.000 0.444 328 E N -0.741 119.389 120.200 -0.116 0.000 2.033 328 E HA -0.283 4.067 4.350 0.001 0.000 0.199 328 E C 2.055 178.587 176.600 -0.114 0.000 1.011 328 E CA 1.494 57.771 56.400 -0.205 0.000 0.815 328 E CB -0.246 29.361 29.700 -0.154 0.000 0.755 328 E HN 0.781 nan 8.360 nan 0.000 0.451 329 E N 0.654 120.798 120.200 -0.093 0.000 2.136 329 E HA -0.268 4.083 4.350 0.001 0.000 0.208 329 E C 2.138 178.705 176.600 -0.054 0.000 1.035 329 E CA 1.361 57.712 56.400 -0.082 0.000 0.838 329 E CB -0.126 29.540 29.700 -0.057 0.000 0.748 329 E HN 0.202 nan 8.360 nan 0.000 0.459 330 L N -0.604 120.591 121.223 -0.048 0.000 1.989 330 L HA -0.198 4.143 4.340 0.001 0.000 0.211 330 L C 2.451 179.278 176.870 -0.071 0.000 1.071 330 L CA 1.398 56.210 54.840 -0.046 0.000 0.749 330 L CB -0.514 41.435 42.059 -0.183 0.000 0.890 330 L HN 0.204 nan 8.230 nan 0.000 0.431 331 F N -0.016 119.893 119.950 -0.069 0.000 2.216 331 F HA -0.217 4.310 4.527 0.001 0.000 0.300 331 F C 2.735 178.500 175.800 -0.060 0.000 1.085 331 F CA 1.170 59.148 58.000 -0.037 0.000 1.326 331 F CB -0.334 38.589 39.000 -0.129 0.000 1.027 331 F HN 0.132 nan 8.300 nan 0.000 0.497 332 Q N 0.180 119.895 119.800 -0.142 0.000 2.016 332 Q HA -0.202 4.139 4.340 0.001 0.000 0.200 332 Q C 2.080 178.009 176.000 -0.119 0.000 0.978 332 Q CA 1.702 57.178 55.803 -0.545 0.000 0.833 332 Q CB -0.401 27.876 28.738 -0.769 0.000 0.895 332 Q HN 0.494 nan 8.270 nan 0.000 0.427 333 E N 0.478 120.653 120.200 -0.041 0.000 2.209 333 E HA -0.184 4.167 4.350 0.001 0.000 0.196 333 E C 1.612 178.196 176.600 -0.027 0.000 0.993 333 E CA 0.591 56.996 56.400 0.009 0.000 0.819 333 E CB -0.025 29.721 29.700 0.078 0.000 0.745 333 E HN 0.145 nan 8.360 nan 0.000 0.477 334 L N 0.877 122.090 121.223 -0.016 0.000 2.610 334 L HA -0.014 4.327 4.340 0.001 0.000 0.232 334 L C 0.166 177.151 176.870 0.191 0.000 1.149 334 L CA 0.972 55.799 54.840 -0.021 0.000 0.872 334 L CB -0.460 41.527 42.059 -0.119 0.000 0.992 334 L HN 0.054 nan 8.230 nan 0.000 0.447 335 E N -0.110 120.252 120.200 0.271 0.000 2.389 335 E HA -0.226 4.124 4.350 0.001 0.000 0.243 335 E C -0.359 176.558 176.600 0.528 0.000 1.154 335 E CA 0.084 56.768 56.400 0.473 0.000 0.723 335 E CB -0.928 29.013 29.700 0.402 0.000 1.261 335 E HN 0.171 nan 8.360 nan 0.000 0.390 336 I N 1.206 122.106 120.570 0.550 0.000 2.355 336 I HA 0.284 4.454 4.170 0.001 0.000 0.288 336 I C -1.742 174.811 176.117 0.727 0.000 0.999 336 I CA -2.269 59.341 61.300 0.516 0.000 1.163 336 I CB 0.734 39.066 38.000 0.554 0.000 1.316 336 I HN -0.130 nan 8.210 nan 0.000 0.454 337 P HA 0.291 nan 4.420 nan 0.000 0.272 337 P C -1.325 176.367 177.300 0.653 0.000 1.230 337 P CA 0.355 63.786 63.100 0.552 0.000 0.788 337 P CB 0.995 32.879 31.700 0.307 0.000 0.949 338 Y N -1.502 119.160 120.300 0.603 0.000 2.895 338 Y HA 0.686 5.237 4.550 0.001 0.000 0.339 338 Y C -1.288 174.875 175.900 0.438 0.000 1.363 338 Y CA -1.382 57.047 58.100 0.548 0.000 1.085 338 Y CB 0.884 39.507 38.460 0.272 0.000 1.500 338 Y HN 0.570 nan 8.280 nan 0.000 0.442 339 R N 0.991 121.755 120.500 0.440 0.000 2.668 339 R HA 0.778 5.119 4.340 0.001 0.000 0.272 339 R C -2.197 174.075 176.300 -0.047 0.000 1.019 339 R CA -0.988 55.006 56.100 -0.177 0.000 0.894 339 R CB 2.372 32.178 30.300 -0.822 0.000 1.228 339 R HN 1.091 nan 8.270 nan 0.000 0.460 340 V N 2.407 122.207 119.914 -0.190 0.000 2.459 340 V HA 0.745 4.866 4.120 0.001 0.000 0.295 340 V C -0.390 175.573 176.094 -0.217 0.000 1.029 340 V CA -0.401 61.812 62.300 -0.144 0.000 0.874 340 V CB 1.552 33.300 31.823 -0.124 0.000 0.985 340 V HN 0.755 nan 8.190 nan 0.000 0.438 341 V N 3.891 123.731 119.914 -0.123 0.000 2.815 341 V HA 0.709 4.830 4.120 0.001 0.000 0.314 341 V C -0.522 175.606 176.094 0.057 0.000 1.064 341 V CA -0.726 61.524 62.300 -0.082 0.000 0.952 341 V CB 1.915 33.685 31.823 -0.087 0.000 1.020 341 V HN 1.047 nan 8.190 nan 0.000 0.439 342 N N 4.171 122.920 118.700 0.082 0.000 2.437 342 N HA 0.393 5.134 4.740 0.001 0.000 0.259 342 N C -0.585 174.963 175.510 0.063 0.000 0.983 342 N CA -0.682 52.470 53.050 0.170 0.000 0.937 342 N CB 0.742 39.341 38.487 0.186 0.000 1.122 342 N HN 0.701 nan 8.380 nan 0.000 0.499 343 I N 2.824 123.418 120.570 0.041 0.000 2.588 343 I HA 0.078 4.248 4.170 0.001 0.000 0.283 343 I C 1.163 177.277 176.117 -0.005 0.000 1.119 343 I CA -0.890 60.413 61.300 0.005 0.000 1.419 343 I CB -0.713 37.280 38.000 -0.011 0.000 1.394 343 I HN 0.609 nan 8.210 nan 0.000 0.562 344 C N 3.320 122.614 119.300 -0.010 0.000 2.335 344 C HA 0.499 4.960 4.460 0.001 0.000 0.363 344 C C 2.155 177.131 174.990 -0.023 0.000 1.198 344 C CA 0.100 59.109 59.018 -0.015 0.000 2.279 344 C CB 0.833 28.565 27.740 -0.013 0.000 2.334 344 C HN 0.991 nan 8.230 nan 0.000 0.559 345 T N 0.319 114.856 114.554 -0.029 0.000 2.624 345 T HA -0.190 4.161 4.350 0.001 0.000 0.266 345 T C 1.825 176.508 174.700 -0.029 0.000 1.050 345 T CA 2.525 64.603 62.100 -0.037 0.000 1.163 345 T CB -1.538 67.304 68.868 -0.042 0.000 0.861 345 T HN 1.306 nan 8.240 nan 0.000 0.443 346 G N 1.278 110.065 108.800 -0.022 0.000 2.459 346 G HA2 -0.229 3.732 3.960 0.001 0.000 0.217 346 G HA3 -0.229 3.732 3.960 0.001 0.000 0.217 346 G C 1.283 176.178 174.900 -0.007 0.000 1.183 346 G CA 1.112 46.204 45.100 -0.012 0.000 0.776 346 G HN 0.643 nan 8.290 nan 0.000 0.552 347 D N -0.813 119.580 120.400 -0.012 0.000 2.358 347 D HA 0.153 4.794 4.640 0.001 0.000 0.224 347 D C 1.933 178.221 176.300 -0.020 0.000 1.123 347 D CA -0.389 53.603 54.000 -0.013 0.000 0.833 347 D CB 0.069 40.861 40.800 -0.012 0.000 0.946 347 D HN 0.105 nan 8.370 nan 0.000 0.505 348 L N 0.415 121.624 121.223 -0.023 0.000 1.973 348 L HA 0.273 4.614 4.340 0.001 0.000 0.208 348 L C 1.155 177.996 176.870 -0.048 0.000 1.073 348 L CA 2.011 56.826 54.840 -0.042 0.000 0.746 348 L CB -0.736 41.289 42.059 -0.057 0.000 0.891 348 L HN 0.221 nan 8.230 nan 0.000 0.433 349 G N -4.127 104.666 108.800 -0.012 0.000 2.392 349 G HA2 -0.152 3.808 3.960 0.001 0.000 0.677 349 G HA3 -0.152 3.808 3.960 0.001 0.000 0.677 349 G C -0.374 174.552 174.900 0.044 0.000 1.334 349 G CA -0.124 44.976 45.100 0.000 0.000 0.961 349 G HN 0.050 nan 8.290 nan 0.000 0.616 350 Y N -0.195 119.924 120.300 -0.302 0.000 2.420 350 Y HA 0.168 4.719 4.550 0.002 0.000 0.292 350 Y C 2.928 178.249 175.900 -0.964 0.000 1.119 350 Y CA 1.636 59.465 58.100 -0.452 0.000 1.229 350 Y CB -0.075 38.206 38.460 -0.298 0.000 1.026 350 Y HN 0.886 nan 8.280 nan 0.000 0.554 351 V N -1.336 118.081 119.914 -0.829 0.000 3.174 351 V HA 0.462 4.583 4.120 0.001 0.000 0.254 351 V C 0.953 176.615 176.094 -0.720 0.000 1.120 351 V CA 0.398 61.939 62.300 -1.265 0.000 1.114 351 V CB -0.767 30.552 31.823 -0.841 0.000 0.756 351 V HN 0.100 nan 8.190 nan 0.000 0.467 352 A N -0.089 122.458 122.820 -0.455 0.000 2.316 352 A HA 0.810 5.131 4.320 0.001 0.000 0.284 352 A C 1.178 178.600 177.584 -0.270 0.000 1.115 352 A CA 0.200 52.037 52.037 -0.332 0.000 0.812 352 A CB 1.222 20.071 19.000 -0.251 0.000 1.064 352 A HN 0.992 nan 8.150 nan 0.000 0.489 353 A N 1.255 123.948 122.820 -0.211 0.000 2.169 353 A HA 0.428 4.749 4.320 0.001 0.000 0.210 353 A C 0.794 178.408 177.584 0.049 0.000 1.168 353 A CA 1.104 53.111 52.037 -0.051 0.000 0.813 353 A CB 0.029 19.058 19.000 0.049 0.000 0.861 353 A HN 0.781 nan 8.150 nan 0.000 0.481 354 K N -0.888 119.478 120.400 -0.057 0.000 2.587 354 K HA 0.473 4.794 4.320 0.001 0.000 0.276 354 K C -1.876 174.601 176.600 -0.206 0.000 0.956 354 K CA -0.641 55.611 56.287 -0.058 0.000 0.857 354 K CB 1.411 33.983 32.500 0.119 0.000 1.431 354 K HN 0.074 nan 8.250 nan 0.000 0.420 355 K N 3.123 123.426 120.400 -0.161 0.000 2.571 355 K HA 0.262 4.583 4.320 0.001 0.000 0.252 355 K C -2.008 174.548 176.600 -0.075 0.000 0.956 355 K CA -0.612 55.614 56.287 -0.103 0.000 0.822 355 K CB 0.972 33.425 32.500 -0.078 0.000 1.286 355 K HN 0.538 nan 8.250 nan 0.000 0.439 356 Y N 1.778 122.154 120.300 0.127 0.000 2.387 356 Y HA 0.368 4.919 4.550 0.001 0.000 0.336 356 Y C -0.201 175.679 175.900 -0.033 0.000 1.067 356 Y CA -0.909 57.193 58.100 0.003 0.000 1.114 356 Y CB 1.849 40.263 38.460 -0.078 0.000 1.208 356 Y HN 0.524 nan 8.280 nan 0.000 0.458 357 D N 2.489 122.950 120.400 0.103 0.000 2.457 357 D HA 0.480 5.121 4.640 0.001 0.000 0.240 357 D C -0.840 175.423 176.300 -0.062 0.000 1.041 357 D CA -0.407 53.595 54.000 0.002 0.000 0.861 357 D CB 2.256 43.050 40.800 -0.010 0.000 1.394 357 D HN 0.364 nan 8.370 nan 0.000 0.473 358 I N 1.455 121.941 120.570 -0.141 0.000 2.330 358 I HA 0.190 4.361 4.170 0.001 0.000 0.289 358 I C -0.065 175.955 176.117 -0.162 0.000 1.001 358 I CA -0.478 60.684 61.300 -0.230 0.000 1.193 358 I CB 1.075 38.776 38.000 -0.498 0.000 1.345 358 I HN 0.070 nan 8.210 nan 0.000 0.461 359 E N 5.729 125.924 120.200 -0.010 0.000 2.092 359 E HA 0.514 4.865 4.350 0.001 0.000 0.271 359 E C -0.451 176.358 176.600 0.349 0.000 0.919 359 E CA -0.657 55.818 56.400 0.125 0.000 0.760 359 E CB 1.824 31.618 29.700 0.157 0.000 1.106 359 E HN 0.681 nan 8.360 nan 0.000 0.408 360 A N 4.152 127.097 122.820 0.207 0.000 2.401 360 A HA 0.055 4.376 4.320 0.001 0.000 0.259 360 A C -0.412 177.324 177.584 0.254 0.000 1.103 360 A CA -0.498 51.704 52.037 0.274 0.000 0.789 360 A CB 0.325 19.391 19.000 0.109 0.000 1.035 360 A HN 0.820 nan 8.150 nan 0.000 0.491 361 W N 4.830 126.148 121.300 0.031 0.000 2.303 361 W HA 0.327 4.988 4.660 0.002 0.000 0.318 361 W C -1.210 175.168 176.519 -0.234 0.000 1.362 361 W CA -0.481 56.608 57.345 -0.426 0.000 1.234 361 W CB 0.608 29.805 29.460 -0.440 0.000 1.248 361 W HN 0.426 nan 8.180 nan 0.000 0.546 362 M N 9.623 128.489 119.600 -1.223 0.000 2.131 362 M HA 0.180 4.660 4.480 0.001 0.000 0.345 362 M C -1.660 173.869 176.300 -1.286 0.000 1.060 362 M CA -2.518 52.200 55.300 -0.969 0.000 1.011 362 M CB 0.456 32.650 32.600 -0.677 0.000 1.328 362 M HN 0.189 nan 8.290 nan 0.000 0.396 363 P HA -0.205 nan 4.420 nan 0.000 0.219 363 P C 1.417 178.504 177.300 -0.355 0.000 1.158 363 P CA 2.007 64.797 63.100 -0.516 0.000 0.895 363 P CB 0.302 31.879 31.700 -0.206 0.000 0.792 364 G N -0.720 107.878 108.800 -0.336 0.000 2.404 364 G HA2 -0.208 3.753 3.960 0.001 0.000 0.213 364 G HA3 -0.208 3.753 3.960 0.001 0.000 0.213 364 G C 1.439 176.171 174.900 -0.280 0.000 1.189 364 G CA 0.316 45.272 45.100 -0.239 0.000 0.796 364 G HN 0.291 nan 8.290 nan 0.000 0.532 365 Q N 0.055 119.621 119.800 -0.389 0.000 2.297 365 Q HA 0.043 4.384 4.340 0.001 0.000 0.208 365 Q C 1.938 177.580 176.000 -0.598 0.000 0.981 365 Q CA 0.767 56.326 55.803 -0.406 0.000 0.876 365 Q CB -0.159 28.327 28.738 -0.421 0.000 0.921 365 Q HN 0.590 nan 8.270 nan 0.000 0.446 366 G N 1.660 109.966 108.800 -0.825 0.000 2.148 366 G HA2 -0.294 3.667 3.960 0.001 0.000 0.254 366 G HA3 -0.294 3.667 3.960 0.001 0.000 0.254 366 G C -0.005 174.511 174.900 -0.639 0.000 0.981 366 G CA 0.885 45.388 45.100 -0.996 0.000 0.670 366 G HN 0.409 nan 8.290 nan 0.000 0.528 367 K N -1.258 118.684 120.400 -0.764 0.000 2.469 367 K HA 0.753 5.073 4.320 0.001 0.000 0.268 367 K C -0.945 175.431 176.600 -0.373 0.000 1.027 367 K CA -1.358 54.745 56.287 -0.306 0.000 0.893 367 K CB 1.125 33.566 32.500 -0.097 0.000 1.460 367 K HN -0.024 nan 8.250 nan 0.000 0.449 368 F N 1.261 121.269 119.950 0.096 0.000 2.396 368 F HA 0.378 4.906 4.527 0.001 0.000 0.343 368 F C 0.504 176.290 175.800 -0.024 0.000 1.104 368 F CA -0.257 57.818 58.000 0.125 0.000 1.161 368 F CB 0.991 40.125 39.000 0.224 0.000 1.146 368 F HN 0.145 nan 8.300 nan 0.000 0.522 369 R N 1.509 122.070 120.500 0.102 0.000 2.795 369 R HA 0.226 4.567 4.340 0.001 0.000 0.275 369 R C -0.833 175.535 176.300 0.114 0.000 0.981 369 R CA -1.123 54.992 56.100 0.025 0.000 0.917 369 R CB 1.645 31.786 30.300 -0.265 0.000 1.202 369 R HN 0.686 nan 8.270 nan 0.000 0.469 370 E N 1.520 121.815 120.200 0.157 0.000 2.324 370 E HA 0.093 4.444 4.350 0.001 0.000 0.271 370 E C 0.373 177.010 176.600 0.061 0.000 1.028 370 E CA -0.093 56.354 56.400 0.078 0.000 0.890 370 E CB 0.732 30.456 29.700 0.039 0.000 1.004 370 E HN 0.447 nan 8.360 nan 0.000 0.431 371 V N 2.164 122.026 119.914 -0.086 0.000 3.572 371 V HA 0.223 4.344 4.120 0.001 0.000 0.260 371 V C 0.495 176.489 176.094 -0.167 0.000 1.324 371 V CA 0.462 62.680 62.300 -0.138 0.000 1.068 371 V CB 0.288 31.917 31.823 -0.324 0.000 0.837 371 V HN 0.467 nan 8.190 nan 0.000 0.450 372 V N -1.855 117.935 119.914 -0.207 0.000 3.120 372 V HA 0.921 5.042 4.120 0.001 0.000 0.303 372 V C -1.047 174.991 176.094 -0.092 0.000 1.238 372 V CA 0.271 62.495 62.300 -0.127 0.000 1.008 372 V CB 1.690 33.437 31.823 -0.127 0.000 1.064 372 V HN 0.561 nan 8.190 nan 0.000 0.434 373 S N 2.248 117.924 115.700 -0.041 0.000 2.549 373 S HA 0.947 5.418 4.470 0.001 0.000 0.280 373 S C -0.646 173.966 174.600 0.019 0.000 1.109 373 S CA 0.074 58.267 58.200 -0.011 0.000 0.905 373 S CB 1.697 64.886 63.200 -0.017 0.000 1.081 373 S HN 2.553 nan 8.310 nan 0.000 0.477 374 A N 2.746 125.604 122.820 0.064 0.000 2.375 374 A HA 0.794 5.115 4.320 0.001 0.000 0.295 374 A C -0.607 177.069 177.584 0.153 0.000 1.066 374 A CA -0.592 51.509 52.037 0.107 0.000 0.722 374 A CB 1.574 20.661 19.000 0.145 0.000 1.206 374 A HN 0.812 nan 8.150 nan 0.000 0.435 375 S N 1.354 117.060 115.700 0.010 0.000 2.600 375 S HA 0.634 5.105 4.470 0.001 0.000 0.300 375 S C -0.589 173.767 174.600 -0.406 0.000 1.087 375 S CA -0.809 57.276 58.200 -0.192 0.000 0.965 375 S CB 1.595 64.681 63.200 -0.191 0.000 1.089 375 S HN 0.734 nan 8.310 nan 0.000 0.496 376 N N 0.317 118.590 118.700 -0.713 0.000 2.446 376 N HA 0.274 5.015 4.740 0.001 0.000 0.265 376 N C -0.321 174.862 175.510 -0.545 0.000 0.975 376 N CA -0.646 51.959 53.050 -0.742 0.000 0.928 376 N CB 0.755 38.526 38.487 -1.193 0.000 1.160 376 N HN 0.610 nan 8.380 nan 0.000 0.495 377 C N 1.806 120.846 119.300 -0.434 0.000 2.791 377 C HA 0.134 4.595 4.460 0.001 0.000 0.270 377 C C 1.618 176.410 174.990 -0.330 0.000 1.257 377 C CA 0.458 59.281 59.018 -0.325 0.000 1.699 377 C CB -1.923 25.691 27.740 -0.210 0.000 1.904 377 C HN 0.933 nan 8.230 nan 0.000 0.603 378 T N 1.705 115.939 114.554 -0.532 0.000 13.879 378 T HA -0.395 3.956 4.350 0.001 0.000 0.418 378 T C 0.447 174.763 174.700 -0.640 0.000 1.442 378 T CA 2.212 63.739 62.100 -0.955 0.000 2.336 378 T CB -1.227 67.189 68.868 -0.754 0.000 2.768 378 T HN 0.524 nan 8.240 nan 0.000 0.395 379 D N -0.129 120.028 120.400 -0.405 0.000 2.402 379 D HA 0.199 4.840 4.640 0.001 0.000 0.216 379 D C 1.285 177.509 176.300 -0.126 0.000 1.128 379 D CA 0.272 54.199 54.000 -0.122 0.000 0.833 379 D CB -0.791 40.003 40.800 -0.010 0.000 0.971 379 D HN 0.688 nan 8.370 nan 0.000 0.503 380 W N 1.473 122.608 121.300 -0.275 0.000 2.354 380 W HA -0.120 4.540 4.660 0.001 0.000 0.315 380 W C 2.119 178.485 176.519 -0.255 0.000 1.206 380 W CA 1.889 59.072 57.345 -0.271 0.000 1.290 380 W CB 0.106 29.427 29.460 -0.231 0.000 1.152 380 W HN -0.014 nan 8.180 nan 0.000 0.489 381 Q N -0.615 119.281 119.800 0.160 0.000 2.049 381 Q HA -0.110 4.231 4.340 0.001 0.000 0.198 381 Q C 2.420 178.413 176.000 -0.012 0.000 0.971 381 Q CA 1.480 57.336 55.803 0.088 0.000 0.833 381 Q CB -0.785 28.062 28.738 0.183 0.000 0.896 381 Q HN 0.308 nan 8.270 nan 0.000 0.434 382 A N 1.609 124.443 122.820 0.024 0.000 1.917 382 A HA -0.264 4.056 4.320 0.001 0.000 0.219 382 A C 2.060 179.579 177.584 -0.108 0.000 1.182 382 A CA 1.765 53.861 52.037 0.098 0.000 0.633 382 A CB -0.575 18.564 19.000 0.233 0.000 0.819 382 A HN 0.235 nan 8.150 nan 0.000 0.448 383 R N -0.680 119.494 120.500 -0.543 0.000 2.096 383 R HA -0.106 4.235 4.340 0.001 0.000 0.235 383 R C 2.370 178.406 176.300 -0.440 0.000 1.127 383 R CA 1.554 57.121 56.100 -0.888 0.000 0.968 383 R CB -0.148 29.602 30.300 -0.916 0.000 0.861 383 R HN 0.563 nan 8.270 nan 0.000 0.440 384 R N -0.278 119.955 120.500 -0.445 0.000 2.075 384 R HA 0.018 4.359 4.340 0.001 0.000 0.226 384 R C 2.003 178.356 176.300 0.089 0.000 1.114 384 R CA 0.974 56.858 56.100 -0.360 0.000 0.972 384 R CB -0.066 29.897 30.300 -0.561 0.000 0.869 384 R HN 0.212 nan 8.270 nan 0.000 0.437 385 L N 0.883 122.178 121.223 0.119 0.000 2.591 385 L HA 0.087 4.427 4.340 0.001 0.000 0.228 385 L C 0.048 177.068 176.870 0.250 0.000 1.133 385 L CA -0.170 54.818 54.840 0.246 0.000 0.880 385 L CB -0.329 41.883 42.059 0.256 0.000 1.033 385 L HN 0.307 nan 8.230 nan 0.000 0.450 386 N N 1.382 120.229 118.700 0.245 0.000 2.727 386 N HA -0.229 4.511 4.740 0.001 0.000 0.251 386 N C -0.625 175.069 175.510 0.306 0.000 1.040 386 N CA 0.395 53.635 53.050 0.318 0.000 0.712 386 N CB -1.280 37.337 38.487 0.218 0.000 0.912 386 N HN 0.350 nan 8.380 nan 0.000 0.545 387 I N 1.328 122.125 120.570 0.378 0.000 2.306 387 I HA 0.328 4.499 4.170 0.001 0.000 0.288 387 I C 0.891 177.223 176.117 0.358 0.000 1.036 387 I CA -0.483 61.024 61.300 0.344 0.000 1.221 387 I CB 0.821 39.069 38.000 0.414 0.000 1.385 387 I HN 0.117 nan 8.210 nan 0.000 0.472 388 R N 5.404 126.023 120.500 0.198 0.000 2.960 388 R HA 0.817 5.157 4.340 0.001 0.000 0.249 388 R C -1.111 175.311 176.300 0.202 0.000 1.192 388 R CA -0.805 55.368 56.100 0.121 0.000 1.035 388 R CB 2.207 32.410 30.300 -0.162 0.000 1.234 388 R HN 0.500 nan 8.270 nan 0.000 0.493 389 F N -1.114 118.812 119.950 -0.040 0.000 2.686 389 F HA 0.691 5.219 4.527 0.001 0.000 0.311 389 F C -1.538 174.235 175.800 -0.044 0.000 1.128 389 F CA -1.313 56.664 58.000 -0.038 0.000 0.946 389 F CB 1.444 40.429 39.000 -0.025 0.000 1.336 389 F HN 0.576 nan 8.300 nan 0.000 0.457 390 R N 0.288 120.648 120.500 -0.234 0.000 2.680 390 R HA 0.589 4.929 4.340 0.001 0.000 0.269 390 R C -1.718 174.558 176.300 -0.041 0.000 1.026 390 R CA -0.664 55.255 56.100 -0.302 0.000 0.889 390 R CB 2.001 32.183 30.300 -0.196 0.000 1.241 390 R HN 0.624 nan 8.270 nan 0.000 0.463 391 D N -0.026 120.352 120.400 -0.036 0.000 2.323 391 D HA 0.131 4.772 4.640 0.001 0.000 0.218 391 D C -0.166 176.136 176.300 0.003 0.000 0.973 391 D CA 0.422 54.445 54.000 0.039 0.000 0.890 391 D CB 0.460 41.297 40.800 0.063 0.000 1.011 391 D HN 0.139 nan 8.370 nan 0.000 0.499 392 R N 0.875 121.359 120.500 -0.026 0.000 2.387 392 R HA 0.230 4.570 4.340 0.001 0.000 0.314 392 R C 0.580 176.857 176.300 -0.038 0.000 0.958 392 R CA 0.022 56.107 56.100 -0.025 0.000 0.846 392 R CB 1.467 31.752 30.300 -0.025 0.000 1.147 392 R HN 0.124 nan 8.270 nan 0.000 0.447 393 T N -1.171 113.367 114.554 -0.028 0.000 2.996 393 T HA -0.135 4.216 4.350 0.001 0.000 0.271 393 T C 0.775 175.454 174.700 -0.036 0.000 1.126 393 T CA 1.185 63.267 62.100 -0.031 0.000 1.103 393 T CB -0.050 68.806 68.868 -0.020 0.000 0.870 393 T HN 0.424 nan 8.240 nan 0.000 0.528 394 D N 2.177 122.557 120.400 -0.034 0.000 2.077 394 D HA -0.035 4.606 4.640 0.001 0.000 0.197 394 D C 1.198 177.471 176.300 -0.045 0.000 0.983 394 D CA 1.129 55.109 54.000 -0.033 0.000 0.841 394 D CB -0.709 40.075 40.800 -0.027 0.000 0.992 394 D HN 0.830 nan 8.370 nan 0.000 0.450 395 E N 1.334 121.500 120.200 -0.056 0.000 2.438 395 E HA -0.011 4.340 4.350 0.001 0.000 0.261 395 E C -0.201 176.339 176.600 -0.099 0.000 1.103 395 E CA -0.111 56.245 56.400 -0.073 0.000 0.959 395 E CB 0.521 30.171 29.700 -0.083 0.000 0.958 395 E HN -0.056 nan 8.360 nan 0.000 0.447 396 K N 2.098 122.438 120.400 -0.101 0.000 2.436 396 K HA 0.128 4.448 4.320 0.001 0.000 0.275 396 K C -2.156 174.329 176.600 -0.191 0.000 0.999 396 K CA -1.302 54.913 56.287 -0.121 0.000 0.980 396 K CB 0.208 32.650 32.500 -0.096 0.000 0.919 396 K HN 0.456 nan 8.250 nan 0.000 0.484 397 P HA 0.214 nan 4.420 nan 0.000 0.285 397 P C -0.795 176.280 177.300 -0.375 0.000 1.259 397 P CA -0.284 62.624 63.100 -0.320 0.000 0.794 397 P CB 0.855 32.406 31.700 -0.248 0.000 0.940 398 R N 2.001 122.191 120.500 -0.516 0.000 2.643 398 R HA 0.422 4.763 4.340 0.001 0.000 0.272 398 R C -0.370 175.861 176.300 -0.115 0.000 0.995 398 R CA -0.750 55.157 56.100 -0.321 0.000 1.032 398 R CB 0.646 30.779 30.300 -0.278 0.000 1.126 398 R HN 0.411 nan 8.270 nan 0.000 0.505 399 Y N 0.955 121.353 120.300 0.164 0.000 2.359 399 Y HA 0.055 4.606 4.550 0.001 0.000 0.330 399 Y C 0.950 177.082 175.900 0.387 0.000 1.143 399 Y CA -0.320 57.927 58.100 0.244 0.000 1.318 399 Y CB 0.771 39.334 38.460 0.171 0.000 1.234 399 Y HN 0.296 nan 8.280 nan 0.000 0.522 400 V N 0.960 121.203 119.914 0.549 0.000 3.336 400 V HA 0.386 4.506 4.120 0.001 0.000 0.304 400 V C -0.217 176.087 176.094 0.350 0.000 1.073 400 V CA -0.849 61.634 62.300 0.305 0.000 1.074 400 V CB 0.836 32.780 31.823 0.201 0.000 1.161 400 V HN 0.781 nan 8.190 nan 0.000 0.460 401 H N -0.043 119.026 119.070 -0.001 0.000 2.533 401 H HA 0.658 5.215 4.556 0.001 0.000 0.343 401 H C -0.283 174.957 175.328 -0.147 0.000 1.160 401 H CA -0.300 55.701 56.048 -0.078 0.000 1.218 401 H CB 2.018 31.681 29.762 -0.164 0.000 1.566 401 H HN 0.981 nan 8.280 nan 0.000 0.522 402 T N 1.061 115.542 114.554 -0.121 0.000 2.908 402 T HA 0.667 5.018 4.350 0.001 0.000 0.290 402 T C -0.745 173.663 174.700 -0.487 0.000 1.034 402 T CA -0.879 61.002 62.100 -0.365 0.000 1.010 402 T CB 1.611 70.305 68.868 -0.289 0.000 1.068 402 T HN 0.221 nan 8.240 nan 0.000 0.481 403 L N 1.608 122.401 121.223 -0.717 0.000 2.479 403 L HA 0.749 5.090 4.340 0.001 0.000 0.255 403 L C -0.951 175.524 176.870 -0.659 0.000 1.026 403 L CA -0.891 53.626 54.840 -0.539 0.000 0.842 403 L CB 2.371 44.238 42.059 -0.321 0.000 1.444 403 L HN 1.088 nan 8.230 nan 0.000 0.409 404 N N -0.860 117.640 118.700 -0.335 0.000 2.484 404 N HA 0.812 5.553 4.740 0.001 0.000 0.269 404 N C -1.457 174.032 175.510 -0.035 0.000 1.237 404 N CA -0.732 52.212 53.050 -0.177 0.000 0.838 404 N CB 2.215 40.657 38.487 -0.074 0.000 1.593 404 N HN 0.570 nan 8.380 nan 0.000 0.485 405 S N -0.257 115.452 115.700 0.015 0.000 2.543 405 S HA 0.508 4.979 4.470 0.001 0.000 0.274 405 S C -1.253 173.358 174.600 0.018 0.000 1.149 405 S CA -0.676 57.539 58.200 0.026 0.000 0.866 405 S CB 1.003 64.226 63.200 0.039 0.000 1.111 405 S HN 0.621 nan 8.310 nan 0.000 0.457 406 T N 3.300 117.864 114.554 0.018 0.000 2.926 406 T HA 0.525 4.876 4.350 0.001 0.000 0.307 406 T C 1.325 176.031 174.700 0.010 0.000 1.059 406 T CA 0.243 62.358 62.100 0.025 0.000 1.122 406 T CB 1.190 70.077 68.868 0.031 0.000 0.972 406 T HN 0.860 nan 8.240 nan 0.000 0.545 407 A N 2.520 125.341 122.820 0.002 0.000 1.983 407 A HA 0.605 4.926 4.320 0.001 0.000 0.207 407 A C 0.461 178.072 177.584 0.045 0.000 1.412 407 A CA 0.198 52.209 52.037 -0.043 0.000 0.750 407 A CB 0.375 19.298 19.000 -0.129 0.000 1.047 407 A HN 0.723 nan 8.150 nan 0.000 0.504 408 I N -0.951 119.646 120.570 0.046 0.000 2.710 408 I HA 0.453 4.624 4.170 0.001 0.000 0.290 408 I C -0.984 175.201 176.117 0.113 0.000 1.318 408 I CA -0.576 60.788 61.300 0.106 0.000 1.045 408 I CB 2.260 40.253 38.000 -0.011 0.000 1.307 408 I HN 0.209 nan 8.210 nan 0.000 0.424 409 A N 3.622 126.535 122.820 0.155 0.000 2.322 409 A HA 0.476 4.797 4.320 0.001 0.000 0.327 409 A C 1.155 178.820 177.584 0.136 0.000 1.394 409 A CA 0.026 52.165 52.037 0.170 0.000 0.921 409 A CB 0.355 19.420 19.000 0.109 0.000 1.153 409 A HN 0.927 nan 8.150 nan 0.000 0.523 410 T N 0.961 115.604 114.554 0.148 0.000 2.624 410 T HA -0.350 4.001 4.350 0.001 0.000 0.266 410 T C 2.099 176.832 174.700 0.056 0.000 1.050 410 T CA 2.787 64.952 62.100 0.109 0.000 1.163 410 T CB -1.151 67.800 68.868 0.138 0.000 0.861 410 T HN 1.289 nan 8.240 nan 0.000 0.443 411 S N 2.674 118.383 115.700 0.016 0.000 2.369 411 S HA -0.261 4.210 4.470 0.001 0.000 0.225 411 S C 2.244 176.792 174.600 -0.086 0.000 1.043 411 S CA 1.464 59.608 58.200 -0.095 0.000 1.074 411 S CB -0.708 62.374 63.200 -0.197 0.000 0.962 411 S HN 0.685 nan 8.310 nan 0.000 0.433 412 R N 1.725 122.164 120.500 -0.101 0.000 2.092 412 R HA 0.133 4.474 4.340 0.001 0.000 0.231 412 R C 2.833 179.204 176.300 0.117 0.000 1.119 412 R CA 1.090 57.203 56.100 0.023 0.000 0.970 412 R CB -0.836 29.437 30.300 -0.046 0.000 0.864 412 R HN 0.592 nan 8.270 nan 0.000 0.440 413 A N 1.451 124.359 122.820 0.147 0.000 1.908 413 A HA -0.152 4.168 4.320 0.001 0.000 0.218 413 A C 2.146 179.805 177.584 0.126 0.000 1.181 413 A CA 1.252 53.414 52.037 0.210 0.000 0.627 413 A CB -0.478 18.604 19.000 0.137 0.000 0.818 413 A HN 0.184 nan 8.150 nan 0.000 0.445 414 I N 0.283 120.896 120.570 0.073 0.000 2.286 414 I HA -0.219 3.952 4.170 0.001 0.000 0.248 414 I C 2.510 178.647 176.117 0.032 0.000 1.115 414 I CA 1.465 62.803 61.300 0.062 0.000 1.392 414 I CB -0.201 37.828 38.000 0.048 0.000 1.065 414 I HN 0.373 nan 8.210 nan 0.000 0.418 415 V N -0.923 118.961 119.914 -0.050 0.000 2.427 415 V HA -0.129 3.991 4.120 0.001 0.000 0.248 415 V C 2.523 178.574 176.094 -0.072 0.000 1.051 415 V CA 1.537 63.733 62.300 -0.172 0.000 1.048 415 V CB -1.155 30.370 31.823 -0.496 0.000 0.666 415 V HN 0.293 nan 8.190 nan 0.000 0.456 416 A N 0.931 123.753 122.820 0.003 0.000 1.873 416 A HA -0.032 4.289 4.320 0.001 0.000 0.215 416 A C 2.218 179.831 177.584 0.048 0.000 1.186 416 A CA 2.093 54.150 52.037 0.033 0.000 0.616 416 A CB -0.711 18.388 19.000 0.164 0.000 0.823 416 A HN 0.552 nan 8.150 nan 0.000 0.442 417 I N -0.261 120.378 120.570 0.115 0.000 2.208 417 I HA -0.285 3.886 4.170 0.001 0.000 0.245 417 I C 2.452 178.666 176.117 0.161 0.000 1.097 417 I CA 1.105 62.517 61.300 0.187 0.000 1.363 417 I CB -0.322 37.806 38.000 0.213 0.000 1.051 417 I HN 0.327 nan 8.210 nan 0.000 0.413 418 L N 0.198 121.492 121.223 0.118 0.000 1.961 418 L HA -0.238 4.103 4.340 0.001 0.000 0.210 418 L C 2.488 179.407 176.870 0.082 0.000 1.072 418 L CA 1.689 56.601 54.840 0.120 0.000 0.749 418 L CB -0.653 41.480 42.059 0.125 0.000 0.889 418 L HN 0.214 nan 8.230 nan 0.000 0.432 419 E N -0.302 119.909 120.200 0.019 0.000 2.265 419 E HA -0.181 4.170 4.350 0.001 0.000 0.196 419 E C 1.695 178.257 176.600 -0.063 0.000 0.996 419 E CA 0.622 56.999 56.400 -0.039 0.000 0.832 419 E CB 0.010 29.631 29.700 -0.132 0.000 0.756 419 E HN 0.429 nan 8.360 nan 0.000 0.491 420 N N -0.469 118.181 118.700 -0.084 0.000 2.415 420 N HA -0.028 4.712 4.740 0.001 0.000 0.174 420 N C 0.718 176.113 175.510 -0.191 0.000 1.048 420 N CA 0.630 53.581 53.050 -0.166 0.000 0.895 420 N CB 0.467 38.785 38.487 -0.280 0.000 1.036 420 N HN 0.210 nan 8.380 nan 0.000 0.449 421 H N 0.789 119.936 119.070 0.129 0.000 2.486 421 H HA 0.144 4.701 4.556 0.001 0.000 0.284 421 H C 0.077 175.499 175.328 0.156 0.000 1.103 421 H CA -0.183 55.951 56.048 0.143 0.000 1.089 421 H CB 0.325 30.169 29.762 0.136 0.000 1.603 421 H HN 0.409 nan 8.280 nan 0.000 0.557 422 Q N 0.601 120.548 119.800 0.244 0.000 2.288 422 Q HA 0.319 4.660 4.340 0.001 0.000 0.254 422 Q C -0.405 175.789 176.000 0.323 0.000 0.932 422 Q CA -0.297 55.654 55.803 0.248 0.000 0.902 422 Q CB 1.830 30.706 28.738 0.231 0.000 1.203 422 Q HN 0.246 nan 8.270 nan 0.000 0.415 423 E N 1.518 121.839 120.200 0.202 0.000 2.302 423 E HA 0.031 4.382 4.350 0.001 0.000 0.255 423 E C 0.183 176.657 176.600 -0.211 0.000 1.099 423 E CA -0.611 55.856 56.400 0.111 0.000 0.929 423 E CB 0.836 30.562 29.700 0.043 0.000 1.203 423 E HN 0.830 nan 8.360 nan 0.000 0.459 424 E N 0.657 120.481 120.200 -0.626 0.000 2.110 424 E HA -0.206 4.144 4.350 0.001 0.000 0.193 424 E C 1.056 177.336 176.600 -0.533 0.000 0.988 424 E CA 1.558 57.272 56.400 -1.145 0.000 0.804 424 E CB 0.094 29.097 29.700 -1.162 0.000 0.745 424 E HN 0.451 nan 8.360 nan 0.000 0.458 425 D N -1.424 118.800 120.400 -0.294 0.000 2.378 425 D HA -0.018 4.623 4.640 0.001 0.000 0.227 425 D C 1.308 177.546 176.300 -0.103 0.000 1.012 425 D CA 0.940 54.840 54.000 -0.166 0.000 0.905 425 D CB 0.111 40.845 40.800 -0.111 0.000 0.895 425 D HN 0.350 nan 8.370 nan 0.000 0.532 426 G N -0.015 108.732 108.800 -0.089 0.000 2.194 426 G HA2 -0.271 3.690 3.960 0.001 0.000 0.236 426 G HA3 -0.271 3.690 3.960 0.001 0.000 0.236 426 G C 0.532 175.445 174.900 0.021 0.000 0.987 426 G CA 0.414 45.507 45.100 -0.012 0.000 0.635 426 G HN 0.823 nan 8.290 nan 0.000 0.520 427 T N -0.827 113.733 114.554 0.011 0.000 2.900 427 T HA 0.562 4.913 4.350 0.001 0.000 0.307 427 T C 0.212 174.960 174.700 0.081 0.000 1.065 427 T CA 0.216 62.337 62.100 0.035 0.000 1.105 427 T CB 1.991 70.873 68.868 0.023 0.000 0.979 427 T HN 0.908 nan 8.240 nan 0.000 0.544 428 V N 3.895 123.869 119.914 0.101 0.000 2.555 428 V HA 0.493 4.614 4.120 0.001 0.000 0.302 428 V C 0.457 176.651 176.094 0.167 0.000 1.038 428 V CA -1.032 61.359 62.300 0.152 0.000 0.887 428 V CB 1.637 33.557 31.823 0.161 0.000 0.991 428 V HN 0.878 nan 8.190 nan 0.000 0.434 429 R N 3.449 124.062 120.500 0.189 0.000 2.229 429 R HA 0.493 4.834 4.340 0.001 0.000 0.328 429 R C -0.955 175.422 176.300 0.129 0.000 1.009 429 R CA -0.799 55.401 56.100 0.166 0.000 0.864 429 R CB 1.398 31.780 30.300 0.137 0.000 1.085 429 R HN 0.478 nan 8.270 nan 0.000 0.453 430 I N 5.980 126.677 120.570 0.212 0.000 2.588 430 I HA 0.079 4.249 4.170 0.001 0.000 0.283 430 I C -1.712 174.429 176.117 0.041 0.000 1.119 430 I CA -2.218 59.190 61.300 0.179 0.000 1.419 430 I CB 0.461 38.638 38.000 0.296 0.000 1.394 430 I HN 0.392 nan 8.210 nan 0.000 0.562 431 P HA 0.014 nan 4.420 nan 0.000 0.269 431 P C 0.455 177.409 177.300 -0.576 0.000 1.209 431 P CA -0.350 62.527 63.100 -0.373 0.000 0.776 431 P CB 0.725 32.244 31.700 -0.302 0.000 0.876 432 K N 1.760 121.633 120.400 -0.878 0.000 2.059 432 K HA -0.168 4.153 4.320 0.001 0.000 0.212 432 K C 1.736 177.741 176.600 -0.992 0.000 1.050 432 K CA 1.635 56.968 56.287 -1.590 0.000 0.927 432 K CB -0.599 31.235 32.500 -1.110 0.000 0.714 432 K HN 0.144 nan 8.250 nan 0.000 0.447 433 V N 1.388 120.962 119.914 -0.566 0.000 2.688 433 V HA -0.189 3.932 4.120 0.001 0.000 0.256 433 V C 1.700 177.598 176.094 -0.326 0.000 1.084 433 V CA 1.546 63.612 62.300 -0.390 0.000 1.103 433 V CB -0.180 31.402 31.823 -0.401 0.000 0.688 433 V HN 0.328 nan 8.190 nan 0.000 0.480 434 L N -1.502 119.521 121.223 -0.334 0.000 2.592 434 L HA 0.036 4.376 4.340 0.001 0.000 0.227 434 L C 2.039 178.981 176.870 0.121 0.000 1.127 434 L CA -0.010 54.769 54.840 -0.103 0.000 0.884 434 L CB -0.320 41.642 42.059 -0.162 0.000 1.065 434 L HN 0.427 nan 8.230 nan 0.000 0.457 435 W N 1.507 122.735 121.300 -0.120 0.000 2.358 435 W HA -0.173 4.488 4.660 0.001 0.000 0.303 435 W C 2.445 178.865 176.519 -0.165 0.000 1.208 435 W CA 0.930 58.186 57.345 -0.149 0.000 1.274 435 W CB -0.693 28.698 29.460 -0.115 0.000 1.138 435 W HN 0.260 nan 8.180 nan 0.000 0.515 436 K N -0.993 119.425 120.400 0.030 0.000 2.281 436 K HA -0.193 4.128 4.320 0.001 0.000 0.203 436 K C 1.512 177.926 176.600 -0.310 0.000 1.046 436 K CA 1.714 57.883 56.287 -0.198 0.000 0.938 436 K CB -0.978 31.298 32.500 -0.374 0.000 0.737 436 K HN 0.192 nan 8.250 nan 0.000 0.458 437 Y N 1.564 121.851 120.300 -0.022 0.000 2.479 437 Y HA 0.015 4.565 4.550 0.001 0.000 0.283 437 Y C 2.748 178.587 175.900 -0.102 0.000 1.109 437 Y CA 0.983 59.061 58.100 -0.035 0.000 1.239 437 Y CB 0.138 38.590 38.460 -0.013 0.000 1.108 437 Y HN 0.250 nan 8.280 nan 0.000 0.548 438 T N -4.261 110.243 114.554 -0.083 0.000 3.044 438 T HA 0.407 4.758 4.350 0.001 0.000 0.255 438 T C 2.049 176.480 174.700 -0.448 0.000 1.073 438 T CA 0.784 62.610 62.100 -0.457 0.000 1.125 438 T CB -0.087 68.106 68.868 -1.125 0.000 0.908 438 T HN 0.459 nan 8.240 nan 0.000 0.480 439 G N 2.232 110.874 108.800 -0.264 0.000 3.329 439 G HA2 -0.239 3.722 3.960 0.001 0.000 0.220 439 G HA3 -0.239 3.722 3.960 0.001 0.000 0.220 439 G C 0.071 174.863 174.900 -0.180 0.000 1.358 439 G CA 0.112 45.124 45.100 -0.145 0.000 0.856 439 G HN 0.967 nan 8.290 nan 0.000 0.551 440 F N 1.380 121.285 119.950 -0.075 0.000 2.418 440 F HA 0.808 5.336 4.527 0.002 0.000 0.341 440 F C 1.182 176.859 175.800 -0.204 0.000 1.120 440 F CA -0.368 57.554 58.000 -0.130 0.000 1.232 440 F CB 0.835 39.803 39.000 -0.055 0.000 1.175 440 F HN 0.075 nan 8.300 nan 0.000 0.569 441 K N 0.455 120.787 120.400 -0.113 0.000 2.352 441 K HA 0.137 4.458 4.320 0.001 0.000 0.194 441 K C -0.385 176.323 176.600 0.180 0.000 1.038 441 K CA 0.480 56.617 56.287 -0.251 0.000 1.023 441 K CB 0.234 32.309 32.500 -0.708 0.000 0.840 441 K HN 0.875 nan 8.250 nan 0.000 0.519 442 E N 0.111 120.447 120.200 0.227 0.000 2.454 442 E HA 0.412 4.763 4.350 0.001 0.000 0.279 442 E C -1.087 175.593 176.600 0.134 0.000 1.029 442 E CA -0.896 55.624 56.400 0.200 0.000 0.831 442 E CB 1.499 31.265 29.700 0.111 0.000 1.405 442 E HN -0.127 nan 8.360 nan 0.000 0.463 443 I N 2.050 122.664 120.570 0.072 0.000 2.448 443 I HA 0.255 4.426 4.170 0.001 0.000 0.281 443 I C -0.141 175.967 176.117 -0.014 0.000 1.027 443 I CA -1.209 60.070 61.300 -0.035 0.000 1.111 443 I CB 1.727 39.707 38.000 -0.033 0.000 1.236 443 I HN 0.481 nan 8.210 nan 0.000 0.452 444 V N 4.376 124.267 119.914 -0.038 0.000 2.785 444 V HA 0.595 4.716 4.120 0.001 0.000 0.300 444 V C -2.432 173.643 176.094 -0.031 0.000 1.062 444 V CA -1.902 60.383 62.300 -0.025 0.000 1.029 444 V CB 0.578 32.384 31.823 -0.029 0.000 1.024 444 V HN 0.436 nan 8.190 nan 0.000 0.477 445 P HA 0.239 nan 4.420 nan 0.000 0.269 445 P C -0.253 177.032 177.300 -0.025 0.000 1.215 445 P CA -0.091 62.998 63.100 -0.020 0.000 0.780 445 P CB 0.497 32.186 31.700 -0.018 0.000 0.898 446 V N -0.645 119.257 119.914 -0.021 0.000 2.881 446 V HA 0.290 4.411 4.120 0.001 0.000 0.303 446 V C 0.325 176.408 176.094 -0.019 0.000 1.070 446 V CA -0.395 61.892 62.300 -0.022 0.000 1.074 446 V CB 0.453 32.266 31.823 -0.018 0.000 1.012 446 V HN 0.278 nan 8.190 nan 0.000 0.482 447 E N 3.369 123.558 120.200 -0.019 0.000 1.924 447 E HA 0.554 4.905 4.350 0.001 0.000 0.261 447 E C -0.111 176.481 176.600 -0.014 0.000 1.088 447 E CA 0.037 56.427 56.400 -0.017 0.000 0.909 447 E CB 0.156 29.845 29.700 -0.018 0.000 1.112 447 E HN 0.629 nan 8.360 nan 0.000 0.425 448 K N 0.000 120.393 120.400 -0.012 0.000 2.780 448 K HA 0.000 4.321 4.320 0.001 0.000 0.191 448 K CA 0.000 56.282 56.287 -0.009 0.000 0.838 448 K CB 0.000 32.495 32.500 -0.008 0.000 1.064 448 K HN 0.000 nan 8.250 nan 0.000 0.543