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 3d4s_1_A DATA FIRST_RESID 32 DATA SEQUENCE WVVGMGIVMS LIVLAIVFGN VLVITAIAKF ERLQTVTNYF ITSLACADLV DATA SEQUENCE MGLAVVPFGA AHILMKMWTF GNFWcEFWTS IDVLCVTASI WTLCVIAVDR DATA SEQUENCE YFAITSPFKY QSLLTKNKAR VIILMVWIVS GLTSFLPIQM HWYRATHQEA DATA SEQUENCE INcYAEETcc DFFTNQAYAI ASSIVSFYVP LVIMVFVYSR VFQEAKRQLX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XKFCLKEHKA LKTLGIIMGT DATA SEQUENCE FTLCWLPFFI VNIVHVIQDN LIRKEVYILL NWIGYVNSGF NPLIYCRSPD DATA SEQUENCE FRIAFQELLC LXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX NIFEMLRIDE GLRLKIYKDT EGYYTIGIGH DATA SEQUENCE LLTKSPSLNA AKSELDKAIG RNTNGVITKD EAEKLFNQDV DAAVRGILRN DATA SEQUENCE AKLKPVYDSL DAVRRAALIN MVFQMGETGV AGFTNSLRML QQKRWDEAAV DATA SEQUENCE NLAKSRWYNQ TPNRAKRVIT TFRTGTWDAY 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 32 W HA 0.000 nan 4.660 nan 0.000 0.303 32 W C 0.000 176.497 176.519 -0.037 0.000 1.175 32 W CA 0.000 57.327 57.345 -0.031 0.000 1.226 32 W CB 0.000 29.443 29.460 -0.029 0.000 1.126 33 V N 1.653 121.653 119.914 0.142 0.000 2.392 33 V HA -0.323 3.813 4.120 0.027 0.000 0.249 33 V C 1.779 177.747 176.094 -0.211 0.000 1.059 33 V CA 2.252 64.513 62.300 -0.065 0.000 1.051 33 V CB -1.297 30.596 31.823 0.118 0.000 0.658 33 V HN 0.198 nan 8.190 nan 0.000 0.455 34 V N 0.899 120.735 119.914 -0.129 0.000 2.307 34 V HA -0.147 3.988 4.120 0.027 0.000 0.245 34 V C 2.706 178.687 176.094 -0.189 0.000 1.045 34 V CA 2.091 64.315 62.300 -0.127 0.000 1.024 34 V CB -1.506 30.275 31.823 -0.070 0.000 0.651 34 V HN 0.596 nan 8.190 nan 0.000 0.449 35 G N -0.809 107.853 108.800 -0.230 0.000 2.475 35 G HA2 -0.352 3.623 3.960 0.027 0.000 0.220 35 G HA3 -0.352 3.623 3.960 0.027 0.000 0.220 35 G C 1.636 176.341 174.900 -0.325 0.000 1.125 35 G CA 1.415 46.363 45.100 -0.254 0.000 0.755 35 G HN 0.487 nan 8.290 nan 0.000 0.565 36 M N 0.446 119.757 119.600 -0.482 0.000 2.466 36 M HA 0.230 4.726 4.480 0.027 0.000 0.265 36 M C 2.528 178.636 176.300 -0.318 0.000 1.122 36 M CA 1.248 56.264 55.300 -0.472 0.000 1.157 36 M CB 0.128 32.282 32.600 -0.743 0.000 1.352 36 M HN 0.169 nan 8.290 nan 0.000 0.464 37 G N 1.036 109.674 108.800 -0.270 0.000 2.422 37 G HA2 -0.158 3.818 3.960 0.027 0.000 0.218 37 G HA3 -0.158 3.818 3.960 0.027 0.000 0.218 37 G C 1.374 176.199 174.900 -0.126 0.000 1.146 37 G CA 0.880 45.879 45.100 -0.169 0.000 0.769 37 G HN 0.490 nan 8.290 nan 0.000 0.547 38 I N 0.255 120.746 120.570 -0.133 0.000 2.233 38 I HA -0.123 4.062 4.170 0.027 0.000 0.243 38 I C 2.751 178.811 176.117 -0.096 0.000 1.093 38 I CA 0.369 61.608 61.300 -0.102 0.000 1.380 38 I CB -0.320 37.621 38.000 -0.098 0.000 1.067 38 I HN 0.010 nan 8.210 nan 0.000 0.413 39 V N 0.862 120.703 119.914 -0.120 0.000 2.287 39 V HA -0.333 3.803 4.120 0.027 0.000 0.248 39 V C 2.498 178.554 176.094 -0.065 0.000 1.053 39 V CA 2.097 64.336 62.300 -0.103 0.000 1.027 39 V CB -0.534 31.208 31.823 -0.135 0.000 0.646 39 V HN 0.394 nan 8.190 nan 0.000 0.447 40 M N -0.398 119.158 119.600 -0.075 0.000 2.213 40 M HA -0.150 4.346 4.480 0.027 0.000 0.263 40 M C 2.317 178.642 176.300 0.043 0.000 1.062 40 M CA 1.711 57.022 55.300 0.019 0.000 1.105 40 M CB -0.433 32.155 32.600 -0.020 0.000 1.385 40 M HN 0.323 nan 8.290 nan 0.000 0.417 41 S N 0.670 116.362 115.700 -0.013 0.000 2.387 41 S HA 0.017 4.503 4.470 0.027 0.000 0.226 41 S C 1.807 176.393 174.600 -0.023 0.000 1.026 41 S CA 0.901 59.090 58.200 -0.018 0.000 0.972 41 S CB -0.241 62.934 63.200 -0.040 0.000 0.814 41 S HN 0.420 nan 8.310 nan 0.000 0.477 42 L N 0.805 122.006 121.223 -0.036 0.000 2.217 42 L HA 0.015 4.371 4.340 0.027 0.000 0.211 42 L C 2.007 178.855 176.870 -0.036 0.000 1.107 42 L CA 0.776 55.586 54.840 -0.049 0.000 0.783 42 L CB -0.486 41.535 42.059 -0.064 0.000 0.919 42 L HN 0.306 nan 8.230 nan 0.000 0.442 43 I N -1.038 119.530 120.570 -0.004 0.000 2.193 43 I HA -0.219 3.967 4.170 0.027 0.000 0.240 43 I C 2.466 178.591 176.117 0.014 0.000 1.084 43 I CA 0.860 62.167 61.300 0.013 0.000 1.365 43 I CB -0.241 37.819 38.000 0.099 0.000 1.064 43 I HN -0.044 nan 8.210 nan 0.000 0.410 44 V N 1.376 121.309 119.914 0.032 0.000 2.282 44 V HA -0.309 3.827 4.120 0.027 0.000 0.249 44 V C 2.421 178.528 176.094 0.022 0.000 1.057 44 V CA 1.911 64.225 62.300 0.023 0.000 1.032 44 V CB -0.591 31.244 31.823 0.019 0.000 0.645 44 V HN 0.364 nan 8.190 nan 0.000 0.447 45 L N -0.133 121.096 121.223 0.010 0.000 2.056 45 L HA -0.134 4.222 4.340 0.027 0.000 0.207 45 L C 2.728 179.629 176.870 0.051 0.000 1.078 45 L CA 1.543 56.394 54.840 0.018 0.000 0.749 45 L CB -0.816 41.227 42.059 -0.027 0.000 0.901 45 L HN 0.361 nan 8.230 nan 0.000 0.433 46 A N 0.195 123.023 122.820 0.013 0.000 1.933 46 A HA -0.167 4.169 4.320 0.027 0.000 0.218 46 A C 2.201 179.829 177.584 0.072 0.000 1.175 46 A CA 1.482 53.540 52.037 0.034 0.000 0.628 46 A CB -0.599 18.373 19.000 -0.046 0.000 0.814 46 A HN 0.374 nan 8.150 nan 0.000 0.444 47 I N -0.759 119.834 120.570 0.038 0.000 2.233 47 I HA -0.169 4.017 4.170 0.027 0.000 0.243 47 I C 2.331 178.488 176.117 0.066 0.000 1.093 47 I CA 1.001 62.324 61.300 0.039 0.000 1.380 47 I CB -0.384 37.633 38.000 0.028 0.000 1.067 47 I HN 0.141 nan 8.210 nan 0.000 0.413 48 V N 0.925 120.887 119.914 0.080 0.000 2.307 48 V HA -0.301 3.835 4.120 0.027 0.000 0.245 48 V C 2.301 178.452 176.094 0.096 0.000 1.045 48 V CA 1.980 64.330 62.300 0.083 0.000 1.024 48 V CB -0.755 31.116 31.823 0.080 0.000 0.651 48 V HN 0.368 nan 8.190 nan 0.000 0.449 49 F N 2.095 122.036 119.950 -0.014 0.000 2.046 49 F HA -0.116 4.427 4.527 0.027 0.000 0.297 49 F C 2.231 178.009 175.800 -0.038 0.000 1.123 49 F CA 2.081 60.066 58.000 -0.024 0.000 1.199 49 F CB -1.025 37.952 39.000 -0.038 0.000 0.972 49 F HN 0.129 nan 8.300 nan 0.000 0.474 50 G N 0.253 109.018 108.800 -0.058 0.000 2.421 50 G HA2 -0.299 3.677 3.960 0.027 0.000 0.216 50 G HA3 -0.299 3.677 3.960 0.027 0.000 0.216 50 G C 1.534 176.331 174.900 -0.171 0.000 1.171 50 G CA 0.999 45.976 45.100 -0.205 0.000 0.775 50 G HN 0.406 nan 8.290 nan 0.000 0.543 51 N N 0.310 118.981 118.700 -0.048 0.000 2.216 51 N HA -0.073 4.683 4.740 0.027 0.000 0.183 51 N C 2.352 177.858 175.510 -0.006 0.000 1.017 51 N CA 0.972 54.030 53.050 0.013 0.000 0.861 51 N CB -0.264 38.261 38.487 0.062 0.000 0.986 51 N HN 0.179 nan 8.380 nan 0.000 0.428 52 V N 1.748 121.635 119.914 -0.044 0.000 2.343 52 V HA -0.179 3.957 4.120 0.027 0.000 0.247 52 V C 2.408 178.467 176.094 -0.057 0.000 1.051 52 V CA 0.996 63.271 62.300 -0.040 0.000 1.036 52 V CB -0.467 31.333 31.823 -0.038 0.000 0.654 52 V HN 0.173 nan 8.190 nan 0.000 0.451 53 L N -0.180 120.941 121.223 -0.171 0.000 2.083 53 L HA -0.120 4.236 4.340 0.027 0.000 0.209 53 L C 2.313 179.248 176.870 0.108 0.000 1.083 53 L CA 1.846 56.599 54.840 -0.145 0.000 0.752 53 L CB -0.426 41.342 42.059 -0.485 0.000 0.899 53 L HN 0.132 nan 8.230 nan 0.000 0.433 54 V N -0.392 119.583 119.914 0.102 0.000 2.307 54 V HA -0.279 3.857 4.120 0.027 0.000 0.245 54 V C 2.439 178.649 176.094 0.194 0.000 1.045 54 V CA 2.075 64.525 62.300 0.249 0.000 1.024 54 V CB -0.408 31.513 31.823 0.164 0.000 0.651 54 V HN 0.395 nan 8.190 nan 0.000 0.449 55 I N 0.060 120.694 120.570 0.107 0.000 2.179 55 I HA -0.236 3.950 4.170 0.027 0.000 0.242 55 I C 2.547 178.704 176.117 0.068 0.000 1.088 55 I CA 1.889 63.229 61.300 0.067 0.000 1.357 55 I CB -0.729 37.287 38.000 0.028 0.000 1.051 55 I HN 0.314 nan 8.210 nan 0.000 0.409 56 T N 0.853 115.452 114.554 0.076 0.000 2.746 56 T HA -0.166 4.200 4.350 0.027 0.000 0.267 56 T C 2.075 176.855 174.700 0.132 0.000 1.039 56 T CA 1.459 63.601 62.100 0.070 0.000 1.142 56 T CB -0.352 68.553 68.868 0.061 0.000 0.866 56 T HN 0.482 nan 8.240 nan 0.000 0.444 57 A N 1.225 124.194 122.820 0.249 0.000 1.902 57 A HA -0.018 4.318 4.320 0.027 0.000 0.217 57 A C 2.256 180.024 177.584 0.305 0.000 1.181 57 A CA 1.260 53.531 52.037 0.390 0.000 0.623 57 A CB -0.750 18.470 19.000 0.366 0.000 0.818 57 A HN 0.553 nan 8.150 nan 0.000 0.443 58 I N -0.648 120.042 120.570 0.200 0.000 2.676 58 I HA -0.149 4.037 4.170 0.027 0.000 0.259 58 I C 2.554 178.696 176.117 0.043 0.000 1.194 58 I CA 0.859 62.228 61.300 0.116 0.000 1.473 58 I CB -0.129 37.940 38.000 0.115 0.000 1.096 58 I HN 0.347 nan 8.210 nan 0.000 0.443 59 A N -0.138 122.692 122.820 0.018 0.000 2.195 59 A HA -0.003 4.332 4.320 0.027 0.000 0.210 59 A C 2.263 179.807 177.584 -0.068 0.000 1.165 59 A CA 0.634 52.645 52.037 -0.043 0.000 0.806 59 A CB -0.024 18.942 19.000 -0.057 0.000 0.847 59 A HN 0.225 nan 8.150 nan 0.000 0.482 60 K N -1.519 118.829 120.400 -0.087 0.000 2.286 60 K HA 0.245 4.581 4.320 0.027 0.000 0.203 60 K C -0.848 175.535 176.600 -0.362 0.000 1.078 60 K CA 0.070 56.190 56.287 -0.278 0.000 0.957 60 K CB 0.247 32.466 32.500 -0.469 0.000 1.018 60 K HN 0.381 nan 8.250 nan 0.000 0.484 61 F N 2.107 122.033 119.950 -0.040 0.000 2.411 61 F HA 0.122 4.665 4.527 0.026 0.000 0.355 61 F C 1.017 176.781 175.800 -0.060 0.000 1.117 61 F CA -0.518 57.448 58.000 -0.058 0.000 1.139 61 F CB 1.416 40.362 39.000 -0.090 0.000 1.120 61 F HN -0.013 nan 8.300 nan 0.000 0.493 62 E N 1.212 121.469 120.200 0.095 0.000 2.204 62 E HA -0.157 4.209 4.350 0.027 0.000 0.194 62 E C 2.067 178.685 176.600 0.029 0.000 0.989 62 E CA 0.720 57.147 56.400 0.045 0.000 0.824 62 E CB -0.133 29.580 29.700 0.021 0.000 0.756 62 E HN 0.524 nan 8.360 nan 0.000 0.477 63 R N 0.463 120.978 120.500 0.026 0.000 2.120 63 R HA -0.037 4.319 4.340 0.027 0.000 0.234 63 R C 1.411 177.656 176.300 -0.092 0.000 1.123 63 R CA 0.944 57.021 56.100 -0.039 0.000 0.975 63 R CB -0.077 30.185 30.300 -0.063 0.000 0.866 63 R HN 0.213 nan 8.270 nan 0.000 0.446 64 L N 0.660 121.824 121.223 -0.099 0.000 2.592 64 L HA 0.092 4.448 4.340 0.027 0.000 0.227 64 L C 0.413 177.266 176.870 -0.028 0.000 1.127 64 L CA 0.185 54.920 54.840 -0.176 0.000 0.884 64 L CB 0.223 42.115 42.059 -0.278 0.000 1.065 64 L HN 0.161 nan 8.230 nan 0.000 0.457 65 Q N 1.433 121.254 119.800 0.036 0.000 3.181 65 Q HA 0.100 4.455 4.340 0.027 0.000 0.293 65 Q C 0.152 176.189 176.000 0.060 0.000 1.406 65 Q CA -0.146 55.749 55.803 0.153 0.000 1.026 65 Q CB 0.111 28.939 28.738 0.150 0.000 1.630 65 Q HN 0.274 nan 8.270 nan 0.000 0.553 66 T N -4.250 110.317 114.554 0.022 0.000 2.932 66 T HA 0.297 4.663 4.350 0.027 0.000 0.289 66 T C 1.261 175.840 174.700 -0.200 0.000 1.039 66 T CA -0.855 61.184 62.100 -0.101 0.000 1.024 66 T CB 1.496 70.337 68.868 -0.044 0.000 1.090 66 T HN 0.034 nan 8.240 nan 0.000 0.496 67 V N 1.696 121.428 119.914 -0.303 0.000 2.324 67 V HA -0.215 3.921 4.120 0.027 0.000 0.250 67 V C 2.913 178.898 176.094 -0.181 0.000 1.060 67 V CA 2.661 64.734 62.300 -0.378 0.000 1.042 67 V CB -1.435 30.261 31.823 -0.210 0.000 0.650 67 V HN 1.103 nan 8.190 nan 0.000 0.450 68 T N 0.357 114.952 114.554 0.068 0.000 2.708 68 T HA -0.164 4.202 4.350 0.027 0.000 0.266 68 T C 1.712 176.555 174.700 0.239 0.000 1.037 68 T CA 1.694 63.950 62.100 0.260 0.000 1.146 68 T CB -0.407 68.592 68.868 0.219 0.000 0.865 68 T HN 0.451 nan 8.240 nan 0.000 0.435 69 N N 0.305 119.112 118.700 0.178 0.000 2.512 69 N HA -0.001 4.755 4.740 0.027 0.000 0.183 69 N C 1.213 176.855 175.510 0.220 0.000 1.073 69 N CA 0.495 53.673 53.050 0.212 0.000 0.911 69 N CB -0.320 38.283 38.487 0.194 0.000 0.964 69 N HN 0.420 nan 8.380 nan 0.000 0.447 70 Y N -0.192 120.035 120.300 -0.122 0.000 2.263 70 Y HA -0.008 4.559 4.550 0.028 0.000 0.292 70 Y C 1.627 177.438 175.900 -0.149 0.000 1.130 70 Y CA 0.531 58.505 58.100 -0.209 0.000 1.179 70 Y CB -0.529 37.699 38.460 -0.388 0.000 0.998 70 Y HN -0.035 nan 8.280 nan 0.000 0.532 71 F N -0.883 119.212 119.950 0.241 0.000 2.206 71 F HA -0.107 4.435 4.527 0.025 0.000 0.298 71 F C 2.271 178.169 175.800 0.162 0.000 1.090 71 F CA 0.705 58.814 58.000 0.181 0.000 1.323 71 F CB -1.086 38.000 39.000 0.142 0.000 1.028 71 F HN -0.047 nan 8.300 nan 0.000 0.492 72 I N -0.520 120.234 120.570 0.306 0.000 2.286 72 I HA -0.272 3.914 4.170 0.027 0.000 0.248 72 I C 2.206 178.427 176.117 0.173 0.000 1.115 72 I CA 1.403 62.831 61.300 0.213 0.000 1.392 72 I CB -0.710 37.337 38.000 0.079 0.000 1.065 72 I HN 0.134 nan 8.210 nan 0.000 0.418 73 T N -0.443 114.190 114.554 0.131 0.000 2.708 73 T HA -0.198 4.167 4.350 0.027 0.000 0.266 73 T C 2.107 176.882 174.700 0.125 0.000 1.037 73 T CA 1.842 63.988 62.100 0.077 0.000 1.146 73 T CB -0.266 68.580 68.868 -0.037 0.000 0.865 73 T HN 0.325 nan 8.240 nan 0.000 0.435 74 S N 0.763 116.578 115.700 0.192 0.000 2.370 74 S HA -0.102 4.384 4.470 0.027 0.000 0.226 74 S C 1.998 176.847 174.600 0.416 0.000 1.033 74 S CA 0.963 59.365 58.200 0.337 0.000 1.011 74 S CB -0.447 63.036 63.200 0.471 0.000 0.852 74 S HN 0.295 nan 8.310 nan 0.000 0.457 75 L N 1.512 122.925 121.223 0.317 0.000 2.072 75 L HA 0.234 4.590 4.340 0.027 0.000 0.205 75 L C 2.521 179.551 176.870 0.267 0.000 1.079 75 L CA 1.910 56.915 54.840 0.274 0.000 0.752 75 L CB -1.127 41.071 42.059 0.232 0.000 0.906 75 L HN 0.338 nan 8.230 nan 0.000 0.436 76 A N -1.695 121.266 122.820 0.234 0.000 1.969 76 A HA -0.187 4.149 4.320 0.027 0.000 0.218 76 A C 2.337 180.023 177.584 0.169 0.000 1.169 76 A CA 1.573 53.727 52.037 0.194 0.000 0.635 76 A CB -1.325 17.771 19.000 0.160 0.000 0.810 76 A HN 0.600 nan 8.150 nan 0.000 0.445 77 C N -1.042 118.357 119.300 0.166 0.000 2.440 77 C HA 0.136 4.612 4.460 0.027 0.000 0.278 77 C C 3.262 178.383 174.990 0.218 0.000 1.295 77 C CA 0.562 59.649 59.018 0.116 0.000 1.738 77 C CB -1.234 26.497 27.740 -0.015 0.000 1.987 77 C HN 0.704 nan 8.230 nan 0.000 0.492 78 A N 0.997 124.056 122.820 0.399 0.000 1.902 78 A HA -0.185 4.151 4.320 0.027 0.000 0.217 78 A C 1.727 179.487 177.584 0.293 0.000 1.181 78 A CA 2.071 54.399 52.037 0.485 0.000 0.623 78 A CB -0.493 18.767 19.000 0.433 0.000 0.818 78 A HN 0.535 nan 8.150 nan 0.000 0.443 79 D N -0.640 119.907 120.400 0.245 0.000 2.183 79 D HA -0.062 4.593 4.640 0.027 0.000 0.203 79 D C 1.767 178.157 176.300 0.150 0.000 0.969 79 D CA 0.779 54.896 54.000 0.195 0.000 0.842 79 D CB -0.266 40.647 40.800 0.188 0.000 0.957 79 D HN 0.355 nan 8.370 nan 0.000 0.484 80 L N 0.578 121.886 121.223 0.141 0.000 2.093 80 L HA -0.083 4.273 4.340 0.027 0.000 0.208 80 L C 2.052 178.993 176.870 0.119 0.000 1.085 80 L CA 1.199 56.104 54.840 0.108 0.000 0.755 80 L CB -0.283 41.826 42.059 0.083 0.000 0.904 80 L HN -0.156 nan 8.230 nan 0.000 0.435 81 V N -0.750 119.252 119.914 0.146 0.000 2.515 81 V HA -0.254 3.882 4.120 0.027 0.000 0.250 81 V C 2.476 178.666 176.094 0.159 0.000 1.058 81 V CA 1.673 64.072 62.300 0.165 0.000 1.064 81 V CB -0.502 31.439 31.823 0.196 0.000 0.675 81 V HN 0.479 nan 8.190 nan 0.000 0.461 82 M N 1.258 120.941 119.600 0.139 0.000 2.099 82 M HA 0.004 4.500 4.480 0.027 0.000 0.262 82 M C 1.982 178.314 176.300 0.052 0.000 1.067 82 M CA 2.114 57.468 55.300 0.090 0.000 1.124 82 M CB -0.928 31.743 32.600 0.119 0.000 1.353 82 M HN 0.282 nan 8.290 nan 0.000 0.410 83 G N -0.977 107.864 108.800 0.069 0.000 2.484 83 G HA2 -0.027 3.949 3.960 0.027 0.000 0.218 83 G HA3 -0.027 3.949 3.960 0.027 0.000 0.218 83 G C 1.395 176.340 174.900 0.075 0.000 1.130 83 G CA 0.612 45.742 45.100 0.050 0.000 0.784 83 G HN 0.459 nan 8.290 nan 0.000 0.543 84 L N -0.490 120.804 121.223 0.118 0.000 2.286 84 L HA 0.313 4.669 4.340 0.027 0.000 0.203 84 L C 2.764 179.790 176.870 0.260 0.000 1.068 84 L CA 0.932 55.860 54.840 0.146 0.000 0.811 84 L CB 0.156 42.297 42.059 0.137 0.000 0.989 84 L HN 0.237 nan 8.230 nan 0.000 0.467 85 A N -1.610 121.410 122.820 0.333 0.000 2.382 85 A HA 0.283 4.619 4.320 0.027 0.000 0.228 85 A C 1.616 179.579 177.584 0.631 0.000 1.217 85 A CA 0.132 52.508 52.037 0.564 0.000 0.923 85 A CB 0.327 19.627 19.000 0.499 0.000 0.979 85 A HN 0.096 nan 8.150 nan 0.000 0.515 86 V N -1.321 118.820 119.914 0.378 0.000 2.870 86 V HA -0.029 4.107 4.120 0.027 0.000 0.232 86 V C 2.331 178.585 176.094 0.265 0.000 1.161 86 V CA 1.204 63.685 62.300 0.301 0.000 1.204 86 V CB -0.525 31.237 31.823 -0.101 0.000 1.003 86 V HN 0.169 nan 8.190 nan 0.000 0.499 87 V N 1.231 121.077 119.914 -0.114 0.000 2.287 87 V HA -0.158 3.978 4.120 0.027 0.000 0.248 87 V C -0.073 176.043 176.094 0.036 0.000 1.053 87 V CA 2.722 64.845 62.300 -0.294 0.000 1.027 87 V CB -1.924 29.696 31.823 -0.337 0.000 0.646 87 V HN 0.476 nan 8.190 nan 0.000 0.447 88 P HA -0.136 nan 4.420 nan 0.000 0.215 88 P C 1.530 178.744 177.300 -0.143 0.000 1.153 88 P CA 1.632 64.687 63.100 -0.076 0.000 0.853 88 P CB -0.137 31.415 31.700 -0.247 0.000 0.788 89 F N -0.972 118.992 119.950 0.024 0.000 2.367 89 F HA 0.100 4.643 4.527 0.026 0.000 0.298 89 F C 2.491 178.301 175.800 0.016 0.000 1.094 89 F CA 1.191 59.072 58.000 -0.198 0.000 1.409 89 F CB -1.327 37.399 39.000 -0.457 0.000 1.064 89 F HN -0.075 nan 8.300 nan 0.000 0.528 90 G N -0.204 108.849 108.800 0.421 0.000 2.394 90 G HA2 -0.125 3.851 3.960 0.027 0.000 0.215 90 G HA3 -0.125 3.851 3.960 0.027 0.000 0.215 90 G C 1.897 177.181 174.900 0.641 0.000 1.165 90 G CA 0.718 46.181 45.100 0.605 0.000 0.784 90 G HN 0.394 nan 8.290 nan 0.000 0.535 91 A N 1.088 124.223 122.820 0.525 0.000 1.930 91 A HA 0.345 4.681 4.320 0.027 0.000 0.217 91 A C 2.755 180.476 177.584 0.227 0.000 1.175 91 A CA 2.039 54.301 52.037 0.376 0.000 0.627 91 A CB -0.613 18.556 19.000 0.281 0.000 0.815 91 A HN 0.674 nan 8.150 nan 0.000 0.443 92 A N -1.275 121.678 122.820 0.221 0.000 1.898 92 A HA -0.189 4.147 4.320 0.027 0.000 0.216 92 A C 2.110 179.856 177.584 0.270 0.000 1.181 92 A CA 1.588 53.746 52.037 0.203 0.000 0.620 92 A CB -0.947 18.212 19.000 0.265 0.000 0.819 92 A HN 0.758 nan 8.150 nan 0.000 0.442 93 H N -0.275 118.979 119.070 0.306 0.000 2.421 93 H HA -0.049 4.523 4.556 0.027 0.000 0.298 93 H C 1.847 177.343 175.328 0.280 0.000 1.087 93 H CA 1.768 58.038 56.048 0.371 0.000 1.330 93 H CB 0.004 30.073 29.762 0.511 0.000 1.388 93 H HN 0.484 nan 8.280 nan 0.000 0.526 94 I N 0.395 121.078 120.570 0.187 0.000 2.235 94 I HA -0.244 3.942 4.170 0.027 0.000 0.241 94 I C 2.569 178.713 176.117 0.045 0.000 1.085 94 I CA 0.563 61.910 61.300 0.078 0.000 1.378 94 I CB -0.158 37.902 38.000 0.101 0.000 1.076 94 I HN 0.182 nan 8.210 nan 0.000 0.415 95 L N -0.114 121.140 121.223 0.051 0.000 2.083 95 L HA -0.180 4.176 4.340 0.027 0.000 0.209 95 L C 2.436 179.332 176.870 0.044 0.000 1.083 95 L CA 1.429 56.294 54.840 0.042 0.000 0.752 95 L CB -0.394 41.669 42.059 0.007 0.000 0.899 95 L HN 0.296 nan 8.230 nan 0.000 0.433 96 M N -1.006 118.615 119.600 0.034 0.000 2.514 96 M HA -0.006 4.490 4.480 0.027 0.000 0.258 96 M C 0.493 176.801 176.300 0.013 0.000 1.119 96 M CA 0.533 55.843 55.300 0.017 0.000 1.111 96 M CB 0.196 32.797 32.600 0.001 0.000 1.390 96 M HN 0.014 nan 8.290 nan 0.000 0.475 97 K N 1.291 121.685 120.400 -0.010 0.000 3.088 97 K HA -0.184 4.152 4.320 0.027 0.000 0.273 97 K C -0.399 176.191 176.600 -0.016 0.000 1.111 97 K CA 0.982 57.243 56.287 -0.043 0.000 0.803 97 K CB -1.902 30.599 32.500 0.002 0.000 1.226 97 K HN 0.603 nan 8.250 nan 0.000 0.485 98 M N -3.127 116.492 119.600 0.032 0.000 2.773 98 M HA 0.415 4.911 4.480 0.027 0.000 0.270 98 M C -1.717 174.800 176.300 0.361 0.000 1.238 98 M CA -1.035 54.370 55.300 0.175 0.000 0.832 98 M CB 1.574 34.241 32.600 0.112 0.000 1.672 98 M HN 0.166 nan 8.290 nan 0.000 0.480 99 W N 3.444 124.873 121.300 0.216 0.000 2.299 99 W HA 0.424 5.100 4.660 0.026 0.000 0.319 99 W C -0.475 176.078 176.519 0.056 0.000 1.008 99 W CA -0.368 57.119 57.345 0.237 0.000 1.384 99 W CB 1.582 31.215 29.460 0.288 0.000 1.220 99 W HN 0.937 nan 8.180 nan 0.000 0.402 100 T N 1.991 116.207 114.554 -0.564 0.000 3.287 100 T HA 0.168 4.534 4.350 0.027 0.000 0.253 100 T C 0.309 174.469 174.700 -0.900 0.000 0.975 100 T CA -0.054 61.669 62.100 -0.628 0.000 0.912 100 T CB -0.933 67.574 68.868 -0.601 0.000 1.071 100 T HN 0.312 nan 8.240 nan 0.000 0.578 101 F N 1.395 121.010 119.950 -0.559 0.000 2.682 101 F HA 0.538 5.081 4.527 0.027 0.000 0.308 101 F C 1.583 177.479 175.800 0.160 0.000 1.093 101 F CA -0.286 57.540 58.000 -0.290 0.000 1.244 101 F CB 0.329 39.039 39.000 -0.482 0.000 1.052 101 F HN 0.557 nan 8.300 nan 0.000 0.573 102 G N 1.041 110.072 108.800 0.384 0.000 2.795 102 G HA2 -0.273 3.703 3.960 0.027 0.000 0.664 102 G HA3 -0.273 3.703 3.960 0.027 0.000 0.664 102 G C 0.250 175.513 174.900 0.606 0.000 1.381 102 G CA -0.374 44.999 45.100 0.456 0.000 0.853 102 G HN 0.119 nan 8.290 nan 0.000 0.545 103 N N -0.750 118.213 118.700 0.438 0.000 2.396 103 N HA -0.015 4.740 4.740 0.027 0.000 0.180 103 N C 1.906 177.639 175.510 0.372 0.000 1.028 103 N CA 1.602 54.873 53.050 0.369 0.000 0.893 103 N CB -0.265 38.399 38.487 0.294 0.000 0.967 103 N HN 0.517 nan 8.380 nan 0.000 0.440 104 F N 0.263 120.395 119.950 0.303 0.000 2.074 104 F HA -0.064 4.478 4.527 0.027 0.000 0.293 104 F C 2.328 178.346 175.800 0.365 0.000 1.116 104 F CA 1.150 59.320 58.000 0.285 0.000 1.212 104 F CB -0.435 38.711 39.000 0.243 0.000 0.998 104 F HN 0.093 nan 8.300 nan 0.000 0.471 105 W N 0.695 122.160 121.300 0.276 0.000 2.425 105 W HA -0.220 4.455 4.660 0.026 0.000 0.277 105 W C 2.470 179.162 176.519 0.289 0.000 1.231 105 W CA 1.399 58.850 57.345 0.177 0.000 1.248 105 W CB -0.758 28.844 29.460 0.237 0.000 1.117 105 W HN 0.282 nan 8.180 nan 0.000 0.568 106 c N 1.549 120.358 118.600 0.348 0.000 2.398 106 c HA -0.221 4.365 4.570 0.027 0.000 0.276 106 c C 2.420 176.371 174.090 -0.232 0.000 1.222 106 c CA 2.111 58.336 56.329 -0.174 0.000 1.746 106 c CB -1.014 41.328 42.510 -0.281 0.000 2.039 106 c HN 0.391 nan 8.230 nan 0.000 0.470 107 E N -1.201 118.878 120.200 -0.203 0.000 2.112 107 E HA -0.096 4.270 4.350 0.027 0.000 0.190 107 E C 1.871 178.165 176.600 -0.510 0.000 0.979 107 E CA 1.108 57.311 56.400 -0.329 0.000 0.814 107 E CB -0.368 29.189 29.700 -0.238 0.000 0.762 107 E HN 0.779 nan 8.360 nan 0.000 0.460 108 F N 0.102 119.643 119.950 -0.681 0.000 2.186 108 F HA -0.166 4.377 4.527 0.026 0.000 0.299 108 F C 2.066 177.308 175.800 -0.929 0.000 1.090 108 F CA 1.285 58.819 58.000 -0.775 0.000 1.307 108 F CB -0.014 38.505 39.000 -0.801 0.000 1.019 108 F HN 0.110 nan 8.300 nan 0.000 0.489 109 W N 1.012 121.654 121.300 -1.095 0.000 2.381 109 W HA -0.164 4.512 4.660 0.027 0.000 0.301 109 W C 2.217 178.298 176.519 -0.730 0.000 1.205 109 W CA 2.322 59.031 57.345 -1.061 0.000 1.285 109 W CB -0.811 28.024 29.460 -1.043 0.000 1.133 109 W HN -0.169 nan 8.180 nan 0.000 0.521 110 T N 0.068 114.111 114.554 -0.851 0.000 2.777 110 T HA -0.176 4.190 4.350 0.027 0.000 0.266 110 T C 1.916 176.016 174.700 -1.000 0.000 1.040 110 T CA 1.903 63.356 62.100 -1.079 0.000 1.141 110 T CB -0.567 67.741 68.868 -0.933 0.000 0.868 110 T HN 0.104 nan 8.240 nan 0.000 0.444 111 S N 1.149 116.225 115.700 -1.039 0.000 2.368 111 S HA 0.038 4.524 4.470 0.027 0.000 0.225 111 S C 2.036 175.955 174.600 -1.135 0.000 1.030 111 S CA 0.810 58.242 58.200 -1.280 0.000 0.999 111 S CB -0.364 61.580 63.200 -2.095 0.000 0.844 111 S HN 0.419 nan 8.310 nan 0.000 0.459 112 I N 1.519 121.527 120.570 -0.938 0.000 2.315 112 I HA -0.177 4.009 4.170 0.027 0.000 0.248 112 I C 2.450 178.353 176.117 -0.358 0.000 1.117 112 I CA 1.209 62.258 61.300 -0.419 0.000 1.404 112 I CB -0.352 37.515 38.000 -0.222 0.000 1.071 112 I HN 0.225 nan 8.210 nan 0.000 0.419 113 D N 0.936 120.994 120.400 -0.570 0.000 2.084 113 D HA -0.145 4.511 4.640 0.027 0.000 0.194 113 D C 2.203 178.266 176.300 -0.394 0.000 0.990 113 D CA 1.380 55.078 54.000 -0.504 0.000 0.826 113 D CB -0.009 40.308 40.800 -0.805 0.000 0.971 113 D HN 0.082 nan 8.370 nan 0.000 0.453 114 V N 0.884 120.523 119.914 -0.460 0.000 2.407 114 V HA -0.194 3.942 4.120 0.027 0.000 0.248 114 V C 2.598 178.562 176.094 -0.217 0.000 1.055 114 V CA 1.353 63.463 62.300 -0.317 0.000 1.049 114 V CB -0.556 31.091 31.823 -0.292 0.000 0.662 114 V HN 0.229 nan 8.190 nan 0.000 0.455 115 L N 0.228 121.325 121.223 -0.210 0.000 1.970 115 L HA -0.185 4.171 4.340 0.027 0.000 0.212 115 L C 2.475 179.251 176.870 -0.156 0.000 1.071 115 L CA 2.330 57.108 54.840 -0.102 0.000 0.751 115 L CB -1.093 41.015 42.059 0.082 0.000 0.889 115 L HN 0.356 nan 8.230 nan 0.000 0.432 116 C N -1.403 117.844 119.300 -0.087 0.000 2.401 116 C HA -0.165 4.311 4.460 0.027 0.000 0.276 116 C C 2.751 177.697 174.990 -0.074 0.000 1.233 116 C CA 0.991 59.986 59.018 -0.038 0.000 1.753 116 C CB -1.072 26.717 27.740 0.081 0.000 2.029 116 C HN 0.540 nan 8.230 nan 0.000 0.478 117 V N 0.599 120.438 119.914 -0.126 0.000 2.307 117 V HA -0.209 3.927 4.120 0.027 0.000 0.245 117 V C 2.491 178.536 176.094 -0.083 0.000 1.045 117 V CA 2.566 64.760 62.300 -0.177 0.000 1.024 117 V CB -1.192 30.316 31.823 -0.524 0.000 0.651 117 V HN 0.603 nan 8.190 nan 0.000 0.449 118 T N 0.559 115.055 114.554 -0.097 0.000 2.708 118 T HA -0.152 4.214 4.350 0.027 0.000 0.266 118 T C 2.072 176.746 174.700 -0.043 0.000 1.037 118 T CA 1.633 63.727 62.100 -0.009 0.000 1.146 118 T CB -0.460 68.405 68.868 -0.006 0.000 0.865 118 T HN 0.558 nan 8.240 nan 0.000 0.435 119 A N 1.328 123.977 122.820 -0.285 0.000 1.933 119 A HA -0.079 4.257 4.320 0.027 0.000 0.218 119 A C 2.604 179.996 177.584 -0.320 0.000 1.175 119 A CA 1.870 53.573 52.037 -0.557 0.000 0.628 119 A CB -0.770 17.395 19.000 -1.392 0.000 0.814 119 A HN 0.439 nan 8.150 nan 0.000 0.444 120 S N -0.504 115.076 115.700 -0.200 0.000 2.345 120 S HA -0.118 4.368 4.470 0.027 0.000 0.220 120 S C 1.874 176.215 174.600 -0.431 0.000 1.031 120 S CA 1.319 59.415 58.200 -0.174 0.000 0.996 120 S CB -0.411 62.808 63.200 0.031 0.000 0.882 120 S HN 0.537 nan 8.310 nan 0.000 0.445 121 I N 0.534 120.794 120.570 -0.517 0.000 2.286 121 I HA -0.084 4.102 4.170 0.027 0.000 0.248 121 I C 1.648 177.449 176.117 -0.527 0.000 1.115 121 I CA 1.089 61.968 61.300 -0.702 0.000 1.392 121 I CB -0.356 37.355 38.000 -0.482 0.000 1.065 121 I HN 0.348 nan 8.210 nan 0.000 0.418 122 W N 0.251 121.353 121.300 -0.331 0.000 2.436 122 W HA -0.105 4.571 4.660 0.026 0.000 0.284 122 W C 2.607 178.976 176.519 -0.250 0.000 1.225 122 W CA 1.457 58.643 57.345 -0.265 0.000 1.271 122 W CB -0.631 28.691 29.460 -0.230 0.000 1.114 122 W HN -0.031 nan 8.180 nan 0.000 0.559 123 T N 0.935 115.463 114.554 -0.043 0.000 2.737 123 T HA -0.167 4.199 4.350 0.027 0.000 0.265 123 T C 1.860 176.458 174.700 -0.170 0.000 1.038 123 T CA 1.234 63.300 62.100 -0.056 0.000 1.144 123 T CB -0.552 68.339 68.868 0.038 0.000 0.866 123 T HN 0.033 nan 8.240 nan 0.000 0.434 124 L N 0.507 121.584 121.223 -0.244 0.000 2.083 124 L HA -0.112 4.244 4.340 0.027 0.000 0.209 124 L C 2.957 179.652 176.870 -0.293 0.000 1.083 124 L CA 0.810 55.474 54.840 -0.292 0.000 0.752 124 L CB -0.640 41.173 42.059 -0.411 0.000 0.899 124 L HN 0.431 nan 8.230 nan 0.000 0.433 125 C N -0.565 118.553 119.300 -0.304 0.000 2.429 125 C HA -0.105 4.371 4.460 0.027 0.000 0.277 125 C C 2.785 177.677 174.990 -0.163 0.000 1.262 125 C CA 0.674 59.534 59.018 -0.263 0.000 1.733 125 C CB -0.422 27.089 27.740 -0.380 0.000 2.010 125 C HN 0.352 nan 8.230 nan 0.000 0.483 126 V N 1.207 121.021 119.914 -0.168 0.000 2.407 126 V HA -0.197 3.939 4.120 0.027 0.000 0.248 126 V C 2.280 178.145 176.094 -0.382 0.000 1.055 126 V CA 2.364 64.520 62.300 -0.240 0.000 1.049 126 V CB -0.587 31.048 31.823 -0.314 0.000 0.662 126 V HN 0.578 nan 8.190 nan 0.000 0.455 127 I N 0.411 120.730 120.570 -0.418 0.000 2.179 127 I HA -0.254 3.932 4.170 0.027 0.000 0.242 127 I C 2.681 178.753 176.117 -0.074 0.000 1.088 127 I CA 1.543 62.671 61.300 -0.288 0.000 1.357 127 I CB -0.608 37.289 38.000 -0.172 0.000 1.051 127 I HN 0.297 nan 8.210 nan 0.000 0.409 128 A N 0.376 123.151 122.820 -0.076 0.000 1.908 128 A HA -0.156 4.180 4.320 0.027 0.000 0.218 128 A C 2.418 180.104 177.584 0.170 0.000 1.181 128 A CA 1.850 53.963 52.037 0.126 0.000 0.627 128 A CB -0.936 18.086 19.000 0.037 0.000 0.818 128 A HN 0.255 nan 8.150 nan 0.000 0.445 129 V N 0.440 120.412 119.914 0.097 0.000 2.358 129 V HA -0.220 3.916 4.120 0.027 0.000 0.246 129 V C 2.370 178.661 176.094 0.329 0.000 1.047 129 V CA 2.334 64.758 62.300 0.207 0.000 1.035 129 V CB -0.788 31.147 31.823 0.186 0.000 0.658 129 V HN 0.698 nan 8.190 nan 0.000 0.452 130 D N 0.263 120.768 120.400 0.175 0.000 2.104 130 D HA -0.197 4.459 4.640 0.027 0.000 0.194 130 D C 2.318 178.751 176.300 0.221 0.000 0.994 130 D CA 1.308 55.425 54.000 0.194 0.000 0.830 130 D CB -0.096 40.773 40.800 0.115 0.000 0.959 130 D HN 0.120 nan 8.370 nan 0.000 0.452 131 R N -0.677 119.939 120.500 0.194 0.000 2.148 131 R HA -0.127 4.229 4.340 0.027 0.000 0.227 131 R C 2.127 178.465 176.300 0.064 0.000 1.103 131 R CA 0.589 56.779 56.100 0.151 0.000 0.983 131 R CB -1.039 29.396 30.300 0.225 0.000 0.874 131 R HN 0.447 nan 8.270 nan 0.000 0.451 132 Y N 0.256 120.541 120.300 -0.026 0.000 2.184 132 Y HA -0.146 4.422 4.550 0.030 0.000 0.290 132 Y C 1.795 177.575 175.900 -0.200 0.000 1.129 132 Y CA 1.395 59.387 58.100 -0.180 0.000 1.144 132 Y CB -0.433 37.871 38.460 -0.260 0.000 0.995 132 Y HN -0.142 nan 8.280 nan 0.000 0.513 133 F N -0.196 119.753 119.950 -0.003 0.000 2.365 133 F HA -0.048 4.494 4.527 0.025 0.000 0.300 133 F C 2.418 178.151 175.800 -0.111 0.000 1.090 133 F CA 0.915 58.871 58.000 -0.073 0.000 1.408 133 F CB -0.686 38.340 39.000 0.044 0.000 1.060 133 F HN 0.173 nan 8.300 nan 0.000 0.534 134 A N -0.133 122.727 122.820 0.066 0.000 1.898 134 A HA -0.078 4.258 4.320 0.027 0.000 0.214 134 A C 2.177 179.688 177.584 -0.122 0.000 1.183 134 A CA 1.142 53.187 52.037 0.013 0.000 0.622 134 A CB -0.789 18.242 19.000 0.052 0.000 0.824 134 A HN 0.402 nan 8.150 nan 0.000 0.444 135 I N 0.353 120.784 120.570 -0.231 0.000 2.716 135 I HA -0.138 4.048 4.170 0.027 0.000 0.259 135 I C 2.399 178.291 176.117 -0.375 0.000 1.172 135 I CA 1.727 62.810 61.300 -0.362 0.000 1.478 135 I CB 0.055 37.836 38.000 -0.366 0.000 1.104 135 I HN 0.511 nan 8.210 nan 0.000 0.439 136 T N -1.651 112.647 114.554 -0.427 0.000 3.023 136 T HA 0.020 4.386 4.350 0.027 0.000 0.266 136 T C 1.073 175.636 174.700 -0.228 0.000 1.093 136 T CA 0.464 62.320 62.100 -0.407 0.000 1.129 136 T CB -0.624 67.877 68.868 -0.611 0.000 0.899 136 T HN 0.409 nan 8.240 nan 0.000 0.491 137 S N 2.230 117.841 115.700 -0.149 0.000 2.617 137 S HA 0.364 4.850 4.470 0.027 0.000 0.269 137 S C -1.509 173.038 174.600 -0.089 0.000 1.292 137 S CA -1.401 56.769 58.200 -0.050 0.000 1.010 137 S CB 1.304 64.542 63.200 0.063 0.000 0.944 137 S HN 0.075 nan 8.310 nan 0.000 0.536 138 P HA -0.062 nan 4.420 nan 0.000 0.220 138 P C 0.072 177.203 177.300 -0.281 0.000 1.148 138 P CA 0.948 63.916 63.100 -0.220 0.000 0.803 138 P CB -0.205 31.326 31.700 -0.281 0.000 0.782 139 F N 1.586 121.474 119.950 -0.104 0.000 2.678 139 F HA 0.172 4.715 4.527 0.027 0.000 0.358 139 F C 1.388 177.106 175.800 -0.137 0.000 1.256 139 F CA -0.351 57.596 58.000 -0.088 0.000 1.278 139 F CB -0.618 38.350 39.000 -0.053 0.000 1.681 139 F HN -0.222 nan 8.300 nan 0.000 0.661 140 K N 1.599 121.920 120.400 -0.131 0.000 2.412 140 K HA -0.013 4.323 4.320 0.027 0.000 0.281 140 K C -0.086 176.316 176.600 -0.330 0.000 1.027 140 K CA 0.156 56.191 56.287 -0.420 0.000 0.989 140 K CB 0.224 32.329 32.500 -0.658 0.000 0.935 140 K HN 0.510 nan 8.250 nan 0.000 0.475 141 Y N -0.860 119.430 120.300 -0.015 0.000 4.929 141 Y HA -0.320 4.242 4.550 0.020 0.000 0.253 141 Y C -0.315 175.601 175.900 0.027 0.000 0.946 141 Y CA 0.645 58.740 58.100 -0.007 0.000 1.905 141 Y CB -1.959 36.494 38.460 -0.012 0.000 1.400 141 Y HN 0.649 nan 8.280 nan 0.000 0.531 142 Q N 0.374 120.254 119.800 0.134 0.000 2.307 142 Q HA 0.543 4.899 4.340 0.027 0.000 0.262 142 Q C 0.117 176.149 176.000 0.052 0.000 0.961 142 Q CA -0.509 55.350 55.803 0.094 0.000 0.882 142 Q CB 1.968 30.768 28.738 0.103 0.000 1.264 142 Q HN 0.239 nan 8.270 nan 0.000 0.446 143 S N 2.371 118.093 115.700 0.036 0.000 2.549 143 S HA 0.128 4.614 4.470 0.027 0.000 0.283 143 S C 1.054 175.641 174.600 -0.022 0.000 1.320 143 S CA -0.301 57.922 58.200 0.039 0.000 1.058 143 S CB 0.377 63.610 63.200 0.054 0.000 0.882 143 S HN 0.660 nan 8.310 nan 0.000 0.498 144 L N 4.160 125.381 121.223 -0.003 0.000 2.313 144 L HA 0.148 4.504 4.340 0.027 0.000 0.214 144 L C 0.548 177.378 176.870 -0.067 0.000 1.119 144 L CA 0.369 55.178 54.840 -0.053 0.000 0.809 144 L CB -0.366 41.678 42.059 -0.026 0.000 0.933 144 L HN 0.517 nan 8.230 nan 0.000 0.449 145 L N 0.389 121.594 121.223 -0.031 0.000 2.397 145 L HA 0.155 4.511 4.340 0.027 0.000 0.271 145 L C 0.854 177.677 176.870 -0.077 0.000 1.148 145 L CA -0.339 54.481 54.840 -0.033 0.000 0.825 145 L CB 0.976 43.057 42.059 0.038 0.000 1.117 145 L HN 0.148 nan 8.230 nan 0.000 0.456 146 T N -1.240 113.262 114.554 -0.086 0.000 2.847 146 T HA 0.238 4.604 4.350 0.027 0.000 0.279 146 T C 0.905 175.513 174.700 -0.152 0.000 0.984 146 T CA -0.806 61.225 62.100 -0.115 0.000 0.988 146 T CB 1.328 70.142 68.868 -0.090 0.000 1.040 146 T HN 0.520 nan 8.240 nan 0.000 0.528 147 K N 0.477 120.760 120.400 -0.196 0.000 2.057 147 K HA -0.092 4.244 4.320 0.027 0.000 0.207 147 K C 2.151 178.689 176.600 -0.103 0.000 1.049 147 K CA 1.302 57.422 56.287 -0.280 0.000 0.931 147 K CB -0.225 32.108 32.500 -0.280 0.000 0.714 147 K HN 0.455 nan 8.250 nan 0.000 0.440 148 N N 1.067 119.737 118.700 -0.050 0.000 2.309 148 N HA -0.136 4.620 4.740 0.027 0.000 0.182 148 N C 1.610 177.118 175.510 -0.003 0.000 1.018 148 N CA 1.091 54.136 53.050 -0.007 0.000 0.876 148 N CB 0.032 38.512 38.487 -0.012 0.000 0.972 148 N HN 0.063 nan 8.380 nan 0.000 0.434 149 K N 1.084 121.471 120.400 -0.021 0.000 2.137 149 K HA 0.223 4.559 4.320 0.027 0.000 0.202 149 K C 1.739 178.355 176.600 0.028 0.000 1.052 149 K CA 0.740 57.026 56.287 -0.001 0.000 0.961 149 K CB -0.345 32.147 32.500 -0.014 0.000 0.741 149 K HN 0.030 nan 8.250 nan 0.000 0.452 150 A N 0.992 123.807 122.820 -0.007 0.000 1.933 150 A HA -0.156 4.180 4.320 0.027 0.000 0.218 150 A C 2.026 179.638 177.584 0.047 0.000 1.175 150 A CA 1.524 53.552 52.037 -0.014 0.000 0.628 150 A CB -0.430 18.413 19.000 -0.262 0.000 0.814 150 A HN 0.313 nan 8.150 nan 0.000 0.444 151 R N -0.743 119.801 120.500 0.073 0.000 2.115 151 R HA -0.045 4.311 4.340 0.027 0.000 0.230 151 R C 1.937 178.291 176.300 0.089 0.000 1.111 151 R CA 1.302 57.460 56.100 0.097 0.000 0.976 151 R CB -0.440 29.913 30.300 0.088 0.000 0.870 151 R HN 0.411 nan 8.270 nan 0.000 0.445 152 V N 1.368 121.327 119.914 0.075 0.000 2.358 152 V HA -0.213 3.923 4.120 0.027 0.000 0.246 152 V C 2.296 178.450 176.094 0.098 0.000 1.047 152 V CA 1.309 63.650 62.300 0.068 0.000 1.035 152 V CB -0.366 31.482 31.823 0.042 0.000 0.658 152 V HN 0.208 nan 8.190 nan 0.000 0.452 153 I N 0.047 120.699 120.570 0.138 0.000 2.127 153 I HA -0.248 3.938 4.170 0.027 0.000 0.241 153 I C 2.411 178.660 176.117 0.219 0.000 1.075 153 I CA 1.974 63.381 61.300 0.179 0.000 1.334 153 I CB -1.021 37.147 38.000 0.280 0.000 1.040 153 I HN 0.247 nan 8.210 nan 0.000 0.405 154 I N 0.281 121.029 120.570 0.297 0.000 2.118 154 I HA -0.338 3.848 4.170 0.027 0.000 0.241 154 I C 2.617 178.943 176.117 0.349 0.000 1.070 154 I CA 1.243 62.759 61.300 0.360 0.000 1.327 154 I CB -0.450 37.739 38.000 0.316 0.000 1.034 154 I HN 0.201 nan 8.210 nan 0.000 0.405 155 L N 0.195 121.544 121.223 0.210 0.000 2.012 155 L HA -0.243 4.113 4.340 0.027 0.000 0.210 155 L C 2.404 179.370 176.870 0.160 0.000 1.073 155 L CA 2.010 56.944 54.840 0.157 0.000 0.748 155 L CB -0.478 41.626 42.059 0.075 0.000 0.891 155 L HN 0.173 nan 8.230 nan 0.000 0.431 156 M N -1.697 117.968 119.600 0.109 0.000 2.254 156 M HA -0.083 4.413 4.480 0.027 0.000 0.265 156 M C 2.237 178.543 176.300 0.011 0.000 1.066 156 M CA 1.047 56.375 55.300 0.046 0.000 1.123 156 M CB -0.989 31.618 32.600 0.011 0.000 1.388 156 M HN 0.142 nan 8.290 nan 0.000 0.425 157 V N -1.605 118.335 119.914 0.043 0.000 2.626 157 V HA -0.234 3.902 4.120 0.027 0.000 0.252 157 V C 1.815 177.823 176.094 -0.143 0.000 1.067 157 V CA 1.478 63.731 62.300 -0.077 0.000 1.081 157 V CB -0.656 31.159 31.823 -0.013 0.000 0.686 157 V HN 0.480 nan 8.190 nan 0.000 0.468 158 W N -0.857 120.430 121.300 -0.023 0.000 2.576 158 W HA 0.200 4.875 4.660 0.026 0.000 0.275 158 W C 2.177 178.667 176.519 -0.048 0.000 1.241 158 W CA 0.226 57.559 57.345 -0.020 0.000 1.328 158 W CB -0.125 29.334 29.460 -0.002 0.000 1.092 158 W HN 0.123 nan 8.180 nan 0.000 0.586 159 I N -0.630 120.027 120.570 0.146 0.000 2.193 159 I HA -0.267 3.919 4.170 0.027 0.000 0.240 159 I C 2.064 178.174 176.117 -0.012 0.000 1.084 159 I CA 1.009 62.339 61.300 0.050 0.000 1.365 159 I CB -0.859 37.159 38.000 0.030 0.000 1.064 159 I HN -0.252 nan 8.210 nan 0.000 0.410 160 V N 0.129 120.006 119.914 -0.063 0.000 2.343 160 V HA -0.249 3.887 4.120 0.027 0.000 0.247 160 V C 2.462 178.476 176.094 -0.133 0.000 1.051 160 V CA 2.079 64.307 62.300 -0.121 0.000 1.036 160 V CB -0.544 31.152 31.823 -0.212 0.000 0.654 160 V HN 0.360 nan 8.190 nan 0.000 0.451 161 S N 0.460 116.058 115.700 -0.170 0.000 2.423 161 S HA -0.073 4.413 4.470 0.027 0.000 0.231 161 S C 2.031 176.610 174.600 -0.034 0.000 1.014 161 S CA 1.112 59.220 58.200 -0.154 0.000 0.965 161 S CB -0.446 62.601 63.200 -0.255 0.000 0.785 161 S HN 0.699 nan 8.310 nan 0.000 0.495 162 G N 1.819 110.625 108.800 0.009 0.000 2.414 162 G HA2 -0.109 3.867 3.960 0.027 0.000 0.215 162 G HA3 -0.109 3.867 3.960 0.027 0.000 0.215 162 G C 1.238 176.178 174.900 0.066 0.000 1.188 162 G CA 0.616 45.750 45.100 0.056 0.000 0.783 162 G HN 0.357 nan 8.290 nan 0.000 0.537 163 L N 1.478 122.713 121.223 0.019 0.000 2.017 163 L HA -0.024 4.332 4.340 0.027 0.000 0.208 163 L C 3.254 180.167 176.870 0.072 0.000 1.073 163 L CA 2.248 57.111 54.840 0.038 0.000 0.745 163 L CB -1.212 40.863 42.059 0.027 0.000 0.894 163 L HN 0.437 nan 8.230 nan 0.000 0.432 164 T N -5.229 109.356 114.554 0.051 0.000 3.035 164 T HA -0.040 4.326 4.350 0.027 0.000 0.268 164 T C 1.806 176.560 174.700 0.091 0.000 1.109 164 T CA 1.299 63.445 62.100 0.078 0.000 1.119 164 T CB -0.158 68.727 68.868 0.028 0.000 0.900 164 T HN 0.202 nan 8.240 nan 0.000 0.503 165 S N 0.223 115.962 115.700 0.066 0.000 2.438 165 S HA 0.327 4.813 4.470 0.027 0.000 0.220 165 S C 1.359 175.911 174.600 -0.081 0.000 1.045 165 S CA -0.069 58.133 58.200 0.003 0.000 0.940 165 S CB -0.431 62.744 63.200 -0.041 0.000 0.863 165 S HN 0.434 nan 8.310 nan 0.000 0.539 166 F N 1.698 121.539 119.950 -0.181 0.000 2.060 166 F HA -0.040 4.502 4.527 0.026 0.000 0.295 166 F C 2.238 177.883 175.800 -0.259 0.000 1.120 166 F CA 0.777 58.620 58.000 -0.262 0.000 1.205 166 F CB -0.533 38.306 39.000 -0.269 0.000 0.986 166 F HN 0.112 nan 8.300 nan 0.000 0.470 167 L N 1.027 122.247 121.223 -0.005 0.000 1.997 167 L HA -0.186 4.170 4.340 0.027 0.000 0.216 167 L C -0.848 175.716 176.870 -0.511 0.000 1.074 167 L CA 2.344 57.059 54.840 -0.209 0.000 0.763 167 L CB -1.807 40.195 42.059 -0.094 0.000 0.890 167 L HN -0.056 nan 8.230 nan 0.000 0.434 168 P HA -0.080 nan 4.420 nan 0.000 0.225 168 P C 1.744 178.905 177.300 -0.232 0.000 1.148 168 P CA 1.378 64.375 63.100 -0.172 0.000 0.779 168 P CB 0.030 31.989 31.700 0.431 0.000 0.780 169 I N -1.327 119.055 120.570 -0.314 0.000 2.628 169 I HA -0.098 4.088 4.170 0.027 0.000 0.255 169 I C 2.185 178.062 176.117 -0.400 0.000 1.119 169 I CA 0.760 61.789 61.300 -0.452 0.000 1.448 169 I CB -0.417 37.210 38.000 -0.621 0.000 1.133 169 I HN -0.140 nan 8.210 nan 0.000 0.438 170 Q N 0.308 119.871 119.800 -0.394 0.000 2.230 170 Q HA 0.006 4.362 4.340 0.027 0.000 0.202 170 Q C 1.799 177.533 176.000 -0.442 0.000 0.963 170 Q CA 1.050 56.645 55.803 -0.347 0.000 0.866 170 Q CB -0.020 28.610 28.738 -0.179 0.000 0.931 170 Q HN 0.432 nan 8.270 nan 0.000 0.452 171 M N -0.310 118.944 119.600 -0.576 0.000 2.431 171 M HA 0.068 4.564 4.480 0.027 0.000 0.237 171 M C -0.497 175.562 176.300 -0.403 0.000 1.130 171 M CA 0.247 55.196 55.300 -0.585 0.000 1.002 171 M CB -0.655 31.281 32.600 -1.107 0.000 1.524 171 M HN 0.282 nan 8.290 nan 0.000 0.482 172 H N -3.045 115.868 119.070 -0.261 0.000 2.861 172 H HA -0.198 4.374 4.556 0.027 0.000 0.289 172 H C 0.363 175.643 175.328 -0.080 0.000 1.176 172 H CA 0.932 56.878 56.048 -0.169 0.000 1.146 172 H CB -2.012 27.642 29.762 -0.180 0.000 1.330 172 H HN 0.505 nan 8.280 nan 0.000 0.379 173 W N -0.257 121.078 121.300 0.060 0.000 2.678 173 W HA 0.000 4.676 4.660 0.026 0.000 0.256 173 W C 2.124 178.628 176.519 -0.025 0.000 1.280 173 W CA 1.069 58.435 57.345 0.034 0.000 1.345 173 W CB -1.072 28.448 29.460 0.101 0.000 1.118 173 W HN 0.583 nan 8.180 nan 0.000 0.629 174 Y N 0.894 121.120 120.300 -0.123 0.000 2.286 174 Y HA 0.232 4.798 4.550 0.027 0.000 0.293 174 Y C 1.332 177.101 175.900 -0.217 0.000 1.124 174 Y CA -0.107 57.716 58.100 -0.462 0.000 1.178 174 Y CB -1.019 36.822 38.460 -1.032 0.000 1.010 174 Y HN -0.369 nan 8.280 nan 0.000 0.536 175 R N 2.104 121.934 120.500 -1.117 0.000 2.566 175 R HA 0.174 4.530 4.340 0.027 0.000 0.273 175 R C 0.080 176.222 176.300 -0.263 0.000 0.981 175 R CA 0.386 55.961 56.100 -0.875 0.000 1.091 175 R CB 0.241 29.952 30.300 -0.980 0.000 0.924 175 R HN 0.509 nan 8.270 nan 0.000 0.411 176 A N 1.534 124.329 122.820 -0.041 0.000 2.286 176 A HA 0.206 4.542 4.320 0.027 0.000 0.286 176 A C 1.129 178.683 177.584 -0.050 0.000 1.097 176 A CA -0.321 51.725 52.037 0.016 0.000 0.821 176 A CB 0.707 19.756 19.000 0.081 0.000 1.076 176 A HN 0.834 nan 8.150 nan 0.000 0.490 177 T N -1.508 113.034 114.554 -0.021 0.000 3.040 177 T HA 0.108 4.474 4.350 0.027 0.000 0.250 177 T C 0.725 175.396 174.700 -0.049 0.000 1.058 177 T CA 0.539 62.618 62.100 -0.035 0.000 0.988 177 T CB -0.612 68.257 68.868 0.002 0.000 0.993 177 T HN 0.831 nan 8.240 nan 0.000 0.519 178 H N 0.495 119.538 119.070 -0.044 0.000 2.671 178 H HA 0.354 4.926 4.556 0.026 0.000 0.372 178 H C 1.236 176.494 175.328 -0.116 0.000 1.227 178 H CA -0.465 55.539 56.048 -0.074 0.000 1.426 178 H CB 0.981 30.697 29.762 -0.078 0.000 1.480 178 H HN 0.009 nan 8.280 nan 0.000 0.611 179 Q N 0.673 120.465 119.800 -0.014 0.000 2.050 179 Q HA -0.186 4.170 4.340 0.027 0.000 0.202 179 Q C 2.255 178.150 176.000 -0.175 0.000 0.980 179 Q CA 2.149 57.901 55.803 -0.085 0.000 0.840 179 Q CB -0.291 28.431 28.738 -0.026 0.000 0.898 179 Q HN 0.862 nan 8.270 nan 0.000 0.424 180 E N -1.089 119.051 120.200 -0.101 0.000 2.118 180 E HA -0.237 4.129 4.350 0.027 0.000 0.195 180 E C 1.620 177.808 176.600 -0.688 0.000 0.992 180 E CA 1.087 57.345 56.400 -0.238 0.000 0.804 180 E CB -0.186 29.464 29.700 -0.083 0.000 0.741 180 E HN 0.456 nan 8.360 nan 0.000 0.458 181 A N 0.993 123.165 122.820 -1.081 0.000 1.854 181 A HA -0.109 4.227 4.320 0.027 0.000 0.214 181 A C 2.143 179.112 177.584 -1.025 0.000 1.192 181 A CA 1.151 52.332 52.037 -1.426 0.000 0.611 181 A CB -0.561 17.627 19.000 -1.354 0.000 0.832 181 A HN 0.307 nan 8.150 nan 0.000 0.442 182 I N 0.463 120.724 120.570 -0.514 0.000 2.335 182 I HA -0.273 3.912 4.170 0.027 0.000 0.251 182 I C 1.850 177.883 176.117 -0.142 0.000 1.129 182 I CA 1.129 62.345 61.300 -0.139 0.000 1.402 182 I CB -0.550 37.411 38.000 -0.065 0.000 1.069 182 I HN 0.296 nan 8.210 nan 0.000 0.424 183 N N 0.250 118.823 118.700 -0.212 0.000 2.188 183 N HA -0.170 4.586 4.740 0.027 0.000 0.184 183 N C 1.887 177.336 175.510 -0.103 0.000 1.018 183 N CA 1.218 54.196 53.050 -0.120 0.000 0.858 183 N CB -0.681 37.742 38.487 -0.106 0.000 0.989 183 N HN 0.400 nan 8.380 nan 0.000 0.426 184 c N 0.233 118.695 118.600 -0.230 0.000 2.467 184 c HA 0.002 4.588 4.570 0.027 0.000 0.279 184 c C 2.234 176.304 174.090 -0.032 0.000 1.347 184 c CA 0.128 56.385 56.329 -0.120 0.000 1.748 184 c CB -1.241 41.208 42.510 -0.102 0.000 1.977 184 c HN 0.357 nan 8.230 nan 0.000 0.501 185 Y N 1.456 121.791 120.300 0.059 0.000 2.263 185 Y HA 0.094 4.660 4.550 0.026 0.000 0.292 185 Y C 2.687 178.639 175.900 0.087 0.000 1.130 185 Y CA 1.222 59.373 58.100 0.085 0.000 1.179 185 Y CB -1.298 37.188 38.460 0.044 0.000 0.998 185 Y HN 0.341 nan 8.280 nan 0.000 0.532 186 A N -0.099 122.834 122.820 0.188 0.000 1.929 186 A HA -0.104 4.232 4.320 0.027 0.000 0.216 186 A C 1.002 178.662 177.584 0.128 0.000 1.176 186 A CA 0.709 52.826 52.037 0.134 0.000 0.628 186 A CB -0.521 18.529 19.000 0.082 0.000 0.816 186 A HN 0.259 nan 8.150 nan 0.000 0.444 187 E N 0.668 120.938 120.200 0.116 0.000 2.290 187 E HA 0.165 4.531 4.350 0.027 0.000 0.277 187 E C 0.624 177.329 176.600 0.174 0.000 1.035 187 E CA 0.072 56.547 56.400 0.124 0.000 0.873 187 E CB 0.492 30.254 29.700 0.104 0.000 1.029 187 E HN 0.444 nan 8.360 nan 0.000 0.419 188 E N 1.924 122.233 120.200 0.182 0.000 2.150 188 E HA -0.140 4.226 4.350 0.027 0.000 0.193 188 E C 1.172 177.955 176.600 0.305 0.000 0.985 188 E CA 1.561 58.107 56.400 0.243 0.000 0.814 188 E CB 0.058 29.883 29.700 0.210 0.000 0.752 188 E HN 0.750 nan 8.360 nan 0.000 0.466 189 T N -1.879 112.818 114.554 0.238 0.000 3.160 189 T HA 0.002 4.368 4.350 0.027 0.000 0.257 189 T C 0.604 175.495 174.700 0.319 0.000 1.147 189 T CA -0.187 62.069 62.100 0.259 0.000 1.064 189 T CB -0.423 68.540 68.868 0.159 0.000 0.949 189 T HN 0.010 nan 8.240 nan 0.000 0.526 190 c N 0.524 119.300 118.600 0.294 0.000 2.345 190 c HA 0.744 5.330 4.570 0.027 0.000 0.323 190 c C 0.584 174.806 174.090 0.221 0.000 1.276 190 c CA -1.007 55.488 56.329 0.276 0.000 1.543 190 c CB 0.406 43.037 42.510 0.201 0.000 2.211 190 c HN 0.622 nan 8.230 nan 0.000 0.493 191 c N 5.700 124.409 118.600 0.182 0.000 3.025 191 c HA 0.364 4.950 4.570 0.027 0.000 0.240 191 c C -0.339 173.743 174.090 -0.015 0.000 2.061 191 c CA -0.452 55.799 56.329 -0.130 0.000 1.571 191 c CB -1.684 40.289 42.510 -0.895 0.000 3.075 191 c HN 0.936 nan 8.230 nan 0.000 0.479 192 D N 1.168 121.676 120.400 0.180 0.000 2.351 192 D HA 0.154 4.810 4.640 0.027 0.000 0.251 192 D C -0.265 176.114 176.300 0.131 0.000 1.137 192 D CA 0.106 54.182 54.000 0.128 0.000 0.879 192 D CB 0.641 41.476 40.800 0.059 0.000 1.181 192 D HN 0.390 nan 8.370 nan 0.000 0.448 193 F N 3.862 123.759 119.950 -0.089 0.000 2.567 193 F HA 0.236 4.779 4.527 0.027 0.000 0.352 193 F C -0.805 174.972 175.800 -0.038 0.000 1.229 193 F CA -0.961 57.047 58.000 0.013 0.000 1.228 193 F CB -0.732 38.284 39.000 0.028 0.000 1.568 193 F HN 0.089 nan 8.300 nan 0.000 0.634 194 F N 2.671 122.619 119.950 -0.004 0.000 2.420 194 F HA 0.408 4.951 4.527 0.027 0.000 0.352 194 F C 0.790 176.528 175.800 -0.103 0.000 1.108 194 F CA -0.252 57.719 58.000 -0.049 0.000 1.162 194 F CB 1.060 40.033 39.000 -0.044 0.000 1.118 194 F HN 0.355 nan 8.300 nan 0.000 0.510 195 T N -0.146 114.427 114.554 0.032 0.000 2.906 195 T HA 0.529 4.895 4.350 0.027 0.000 0.295 195 T C -0.613 174.164 174.700 0.129 0.000 1.075 195 T CA -1.299 60.806 62.100 0.008 0.000 1.005 195 T CB 1.557 70.412 68.868 -0.022 0.000 1.136 195 T HN 0.483 nan 8.240 nan 0.000 0.498 196 N N 0.929 119.702 118.700 0.121 0.000 2.483 196 N HA 0.186 4.942 4.740 0.027 0.000 0.269 196 N C 1.009 176.617 175.510 0.163 0.000 1.209 196 N CA -0.656 52.475 53.050 0.134 0.000 0.969 196 N CB 0.416 38.962 38.487 0.098 0.000 1.173 196 N HN 0.759 nan 8.380 nan 0.000 0.475 197 Q N 0.099 119.970 119.800 0.118 0.000 2.181 197 Q HA -0.175 4.181 4.340 0.027 0.000 0.205 197 Q C 1.737 177.802 176.000 0.108 0.000 0.980 197 Q CA 1.844 57.705 55.803 0.095 0.000 0.862 197 Q CB -0.303 28.465 28.738 0.051 0.000 0.905 197 Q HN 0.826 nan 8.270 nan 0.000 0.429 198 A N 0.341 123.233 122.820 0.120 0.000 1.873 198 A HA -0.216 4.119 4.320 0.027 0.000 0.215 198 A C 1.898 179.581 177.584 0.164 0.000 1.186 198 A CA 1.324 53.431 52.037 0.117 0.000 0.616 198 A CB -0.856 18.207 19.000 0.105 0.000 0.823 198 A HN 0.506 nan 8.150 nan 0.000 0.442 199 Y N 0.643 121.011 120.300 0.113 0.000 2.145 199 Y HA -0.072 4.494 4.550 0.027 0.000 0.286 199 Y C 2.633 178.627 175.900 0.156 0.000 1.145 199 Y CA 1.427 59.621 58.100 0.156 0.000 1.148 199 Y CB -0.549 38.030 38.460 0.199 0.000 0.981 199 Y HN 0.298 nan 8.280 nan 0.000 0.507 200 A N 0.351 123.302 122.820 0.219 0.000 1.986 200 A HA -0.190 4.146 4.320 0.027 0.000 0.220 200 A C 2.245 179.873 177.584 0.074 0.000 1.171 200 A CA 2.163 54.282 52.037 0.138 0.000 0.640 200 A CB -1.016 18.088 19.000 0.173 0.000 0.811 200 A HN 0.628 nan 8.150 nan 0.000 0.451 201 I N -1.277 119.331 120.570 0.063 0.000 2.385 201 I HA -0.076 4.109 4.170 0.027 0.000 0.244 201 I C 2.967 179.107 176.117 0.039 0.000 1.089 201 I CA 0.753 62.087 61.300 0.055 0.000 1.410 201 I CB -0.503 37.519 38.000 0.037 0.000 1.117 201 I HN 0.307 nan 8.210 nan 0.000 0.429 202 A N 0.165 122.993 122.820 0.014 0.000 1.883 202 A HA -0.271 4.065 4.320 0.027 0.000 0.217 202 A C 2.499 180.074 177.584 -0.015 0.000 1.186 202 A CA 2.544 54.587 52.037 0.009 0.000 0.624 202 A CB -0.912 18.104 19.000 0.026 0.000 0.822 202 A HN 0.402 nan 8.150 nan 0.000 0.444 203 S N -0.705 114.905 115.700 -0.149 0.000 2.355 203 S HA -0.116 4.370 4.470 0.027 0.000 0.222 203 S C 2.259 176.877 174.600 0.031 0.000 1.031 203 S CA 1.762 59.856 58.200 -0.176 0.000 0.993 203 S CB -0.432 62.394 63.200 -0.624 0.000 0.859 203 S HN 0.580 nan 8.310 nan 0.000 0.453 204 S N 1.364 117.138 115.700 0.123 0.000 2.370 204 S HA -0.026 4.460 4.470 0.027 0.000 0.226 204 S C 1.744 176.558 174.600 0.358 0.000 1.033 204 S CA 1.540 59.947 58.200 0.344 0.000 1.011 204 S CB -0.446 63.045 63.200 0.485 0.000 0.852 204 S HN 0.526 nan 8.310 nan 0.000 0.457 205 I N 0.799 121.527 120.570 0.263 0.000 2.163 205 I HA -0.118 4.068 4.170 0.027 0.000 0.240 205 I C 2.196 178.404 176.117 0.152 0.000 1.081 205 I CA 0.957 62.387 61.300 0.217 0.000 1.353 205 I CB -0.472 37.581 38.000 0.089 0.000 1.054 205 I HN 0.148 nan 8.210 nan 0.000 0.407 206 V N 0.171 120.165 119.914 0.135 0.000 2.358 206 V HA -0.223 3.913 4.120 0.027 0.000 0.246 206 V C 2.444 178.701 176.094 0.271 0.000 1.047 206 V CA 2.117 64.524 62.300 0.178 0.000 1.035 206 V CB -0.456 31.444 31.823 0.127 0.000 0.658 206 V HN 0.357 nan 8.190 nan 0.000 0.452 207 S N -1.247 114.569 115.700 0.194 0.000 2.395 207 S HA 0.017 4.503 4.470 0.027 0.000 0.225 207 S C 1.552 176.186 174.600 0.056 0.000 1.027 207 S CA 1.431 59.760 58.200 0.214 0.000 0.965 207 S CB -0.076 63.202 63.200 0.130 0.000 0.812 207 S HN 0.611 nan 8.310 nan 0.000 0.482 208 F N -0.369 119.398 119.950 -0.305 0.000 2.495 208 F HA 0.326 4.869 4.527 0.027 0.000 0.272 208 F C 1.542 176.996 175.800 -0.576 0.000 0.919 208 F CA -0.240 57.361 58.000 -0.666 0.000 1.178 208 F CB -0.258 37.835 39.000 -1.513 0.000 1.030 208 F HN 0.009 nan 8.300 nan 0.000 0.777 209 Y N 0.346 120.454 120.300 -0.320 0.000 2.181 209 Y HA -0.189 4.377 4.550 0.027 0.000 0.288 209 Y C 2.459 178.146 175.900 -0.355 0.000 1.146 209 Y CA 1.968 59.871 58.100 -0.328 0.000 1.164 209 Y CB -0.831 37.579 38.460 -0.084 0.000 0.982 209 Y HN -0.084 nan 8.280 nan 0.000 0.515 210 V N 1.297 121.132 119.914 -0.133 0.000 2.233 210 V HA -0.242 3.894 4.120 0.027 0.000 0.247 210 V C -0.390 175.432 176.094 -0.453 0.000 1.050 210 V CA 2.292 64.478 62.300 -0.189 0.000 1.010 210 V CB -1.826 29.978 31.823 -0.032 0.000 0.637 210 V HN 0.312 nan 8.190 nan 0.000 0.444 211 P HA -0.117 nan 4.420 nan 0.000 0.223 211 P C 1.868 178.725 177.300 -0.739 0.000 1.151 211 P CA 1.119 63.534 63.100 -1.142 0.000 0.787 211 P CB 0.073 30.591 31.700 -1.971 0.000 0.788 212 L N 0.264 121.058 121.223 -0.715 0.000 1.988 212 L HA -0.093 4.263 4.340 0.027 0.000 0.207 212 L C 2.465 179.136 176.870 -0.331 0.000 1.071 212 L CA 1.716 56.193 54.840 -0.605 0.000 0.744 212 L CB -1.300 40.233 42.059 -0.878 0.000 0.893 212 L HN -0.254 nan 8.230 nan 0.000 0.433 213 V N 0.151 119.914 119.914 -0.252 0.000 2.332 213 V HA -0.334 3.802 4.120 0.027 0.000 0.248 213 V C 2.527 178.575 176.094 -0.078 0.000 1.055 213 V CA 2.318 64.548 62.300 -0.117 0.000 1.038 213 V CB -0.579 31.188 31.823 -0.093 0.000 0.651 213 V HN 0.446 nan 8.190 nan 0.000 0.450 214 I N -0.781 119.703 120.570 -0.143 0.000 2.179 214 I HA -0.322 3.864 4.170 0.027 0.000 0.242 214 I C 2.539 178.633 176.117 -0.038 0.000 1.088 214 I CA 2.126 63.381 61.300 -0.076 0.000 1.357 214 I CB -0.371 37.547 38.000 -0.137 0.000 1.051 214 I HN 0.331 nan 8.210 nan 0.000 0.409 215 M N 0.797 120.310 119.600 -0.145 0.000 2.082 215 M HA -0.238 4.257 4.480 0.027 0.000 0.258 215 M C 2.365 178.659 176.300 -0.010 0.000 1.071 215 M CA 2.136 57.364 55.300 -0.120 0.000 1.103 215 M CB -0.122 32.337 32.600 -0.235 0.000 1.307 215 M HN 0.042 nan 8.290 nan 0.000 0.409 216 V N 0.286 120.196 119.914 -0.006 0.000 2.407 216 V HA -0.279 3.857 4.120 0.027 0.000 0.248 216 V C 2.168 178.334 176.094 0.120 0.000 1.055 216 V CA 2.105 64.447 62.300 0.071 0.000 1.049 216 V CB -1.039 30.814 31.823 0.050 0.000 0.662 216 V HN 0.587 nan 8.190 nan 0.000 0.455 217 F N 0.444 120.374 119.950 -0.034 0.000 2.128 217 F HA -0.092 4.451 4.527 0.028 0.000 0.295 217 F C 2.188 177.946 175.800 -0.069 0.000 1.100 217 F CA 1.615 59.587 58.000 -0.045 0.000 1.260 217 F CB -0.206 38.749 39.000 -0.075 0.000 1.009 217 F HN -0.057 nan 8.300 nan 0.000 0.476 218 V N -0.748 119.134 119.914 -0.053 0.000 2.427 218 V HA -0.289 3.847 4.120 0.027 0.000 0.248 218 V C 1.887 177.896 176.094 -0.141 0.000 1.051 218 V CA 1.878 64.049 62.300 -0.215 0.000 1.048 218 V CB -0.999 30.759 31.823 -0.110 0.000 0.666 218 V HN 0.452 nan 8.190 nan 0.000 0.456 219 Y N 1.150 121.364 120.300 -0.143 0.000 2.544 219 Y HA -0.079 4.487 4.550 0.026 0.000 0.286 219 Y C 2.652 178.497 175.900 -0.093 0.000 1.141 219 Y CA 0.791 58.804 58.100 -0.145 0.000 1.299 219 Y CB 0.019 38.407 38.460 -0.121 0.000 1.030 219 Y HN 0.400 nan 8.280 nan 0.000 0.543 220 S N -0.771 114.940 115.700 0.019 0.000 2.387 220 S HA -0.105 4.381 4.470 0.027 0.000 0.226 220 S C 2.037 176.617 174.600 -0.033 0.000 1.026 220 S CA 0.377 58.633 58.200 0.094 0.000 0.972 220 S CB -0.209 63.012 63.200 0.035 0.000 0.814 220 S HN 0.274 nan 8.310 nan 0.000 0.477 221 R N 1.141 121.525 120.500 -0.195 0.000 2.096 221 R HA 0.076 4.432 4.340 0.027 0.000 0.235 221 R C 2.350 178.582 176.300 -0.113 0.000 1.127 221 R CA 1.130 57.135 56.100 -0.159 0.000 0.968 221 R CB -1.384 28.784 30.300 -0.219 0.000 0.861 221 R HN 0.446 nan 8.270 nan 0.000 0.440 222 V N 0.598 120.353 119.914 -0.265 0.000 2.343 222 V HA -0.233 3.903 4.120 0.027 0.000 0.247 222 V C 2.102 177.948 176.094 -0.413 0.000 1.051 222 V CA 1.732 63.756 62.300 -0.459 0.000 1.036 222 V CB -0.617 30.630 31.823 -0.962 0.000 0.654 222 V HN 0.148 nan 8.190 nan 0.000 0.451 223 F N -0.096 119.722 119.950 -0.220 0.000 2.234 223 F HA -0.164 4.378 4.527 0.026 0.000 0.299 223 F C 2.618 178.386 175.800 -0.053 0.000 1.087 223 F CA 1.337 59.302 58.000 -0.057 0.000 1.340 223 F CB -0.223 38.816 39.000 0.065 0.000 1.031 223 F HN 0.155 nan 8.300 nan 0.000 0.500 224 Q N -0.135 119.720 119.800 0.092 0.000 2.137 224 Q HA -0.127 4.229 4.340 0.027 0.000 0.198 224 Q C 2.005 177.997 176.000 -0.013 0.000 0.960 224 Q CA 0.868 56.694 55.803 0.038 0.000 0.847 224 Q CB -0.056 28.689 28.738 0.012 0.000 0.915 224 Q HN 0.320 nan 8.270 nan 0.000 0.448 225 E N 0.670 120.829 120.200 -0.067 0.000 2.152 225 E HA -0.112 4.254 4.350 0.027 0.000 0.192 225 E C 1.881 178.413 176.600 -0.113 0.000 0.983 225 E CA 0.983 57.312 56.400 -0.119 0.000 0.818 225 E CB -0.083 29.494 29.700 -0.205 0.000 0.758 225 E HN 0.321 nan 8.360 nan 0.000 0.467 226 A N 1.628 124.398 122.820 -0.082 0.000 1.873 226 A HA -0.169 4.167 4.320 0.027 0.000 0.215 226 A C 2.141 179.774 177.584 0.080 0.000 1.186 226 A CA 1.641 53.676 52.037 -0.003 0.000 0.616 226 A CB -0.359 18.619 19.000 -0.036 0.000 0.823 226 A HN 0.123 nan 8.150 nan 0.000 0.442 227 K N -0.774 119.641 120.400 0.024 0.000 2.365 227 K HA -0.066 4.270 4.320 0.027 0.000 0.199 227 K C 2.147 178.736 176.600 -0.019 0.000 1.045 227 K CA 1.054 57.340 56.287 -0.002 0.000 0.962 227 K CB -0.066 32.453 32.500 0.032 0.000 0.759 227 K HN 0.481 nan 8.250 nan 0.000 0.469 228 R N 0.079 120.556 120.500 -0.038 0.000 2.087 228 R HA 0.030 4.385 4.340 0.027 0.000 0.213 228 R C 1.829 178.062 176.300 -0.111 0.000 1.137 228 R CA 0.638 56.723 56.100 -0.026 0.000 1.022 228 R CB 0.096 30.385 30.300 -0.017 0.000 0.920 228 R HN 0.172 nan 8.270 nan 0.000 0.451 229 Q N 1.439 121.154 119.800 -0.141 0.000 2.436 229 Q HA 0.001 4.357 4.340 0.027 0.000 0.209 229 Q C 1.012 176.873 176.000 -0.232 0.000 0.965 229 Q CA 0.451 56.154 55.803 -0.166 0.000 0.910 229 Q CB -0.098 28.535 28.738 -0.176 0.000 0.980 229 Q HN 0.396 nan 8.270 nan 0.000 0.491 264 F N -0.165 119.842 119.950 0.095 0.000 3.067 264 F HA -0.360 4.182 4.527 0.026 0.000 0.279 264 F C 0.866 176.702 175.800 0.060 0.000 0.945 264 F CA 0.009 58.086 58.000 0.128 0.000 0.948 264 F CB -2.153 36.928 39.000 0.135 0.000 0.898 264 F HN 0.578 nan 8.300 nan 0.000 0.746 265 C N -1.119 118.234 119.300 0.089 0.000 2.609 265 C HA 0.316 4.792 4.460 0.027 0.000 0.305 265 C C 1.387 176.399 174.990 0.037 0.000 1.319 265 C CA -0.172 58.886 59.018 0.068 0.000 1.793 265 C CB -0.324 27.454 27.740 0.065 0.000 2.260 265 C HN 0.456 nan 8.230 nan 0.000 0.535 266 L N 1.871 123.070 121.223 -0.039 0.000 2.417 266 L HA 0.186 4.542 4.340 0.027 0.000 0.268 266 L C 1.565 178.459 176.870 0.041 0.000 1.158 266 L CA 0.442 55.261 54.840 -0.035 0.000 0.819 266 L CB 0.158 42.150 42.059 -0.112 0.000 1.112 266 L HN 0.133 nan 8.230 nan 0.000 0.458 267 K N 1.523 121.919 120.400 -0.007 0.000 2.032 267 K HA -0.214 4.121 4.320 0.027 0.000 0.209 267 K C 1.299 177.880 176.600 -0.032 0.000 1.048 267 K CA 2.261 58.541 56.287 -0.012 0.000 0.927 267 K CB 0.183 32.658 32.500 -0.043 0.000 0.712 267 K HN 0.795 nan 8.250 nan 0.000 0.441 268 E N -0.481 119.617 120.200 -0.170 0.000 2.204 268 E HA -0.121 4.245 4.350 0.027 0.000 0.194 268 E C 1.805 178.300 176.600 -0.175 0.000 0.989 268 E CA 1.022 57.216 56.400 -0.344 0.000 0.824 268 E CB -0.089 28.950 29.700 -1.103 0.000 0.756 268 E HN 0.460 nan 8.360 nan 0.000 0.477 269 H N 0.213 119.221 119.070 -0.104 0.000 2.428 269 H HA 0.064 4.634 4.556 0.024 0.000 0.296 269 H C 1.587 177.109 175.328 0.323 0.000 1.062 269 H CA 0.987 57.133 56.048 0.164 0.000 1.350 269 H CB 0.292 30.147 29.762 0.155 0.000 1.403 269 H HN 0.096 nan 8.280 nan 0.000 0.533 270 K N 0.609 121.200 120.400 0.318 0.000 2.155 270 K HA 0.000 4.336 4.320 0.027 0.000 0.203 270 K C 2.388 179.098 176.600 0.184 0.000 1.052 270 K CA 0.736 57.163 56.287 0.234 0.000 0.948 270 K CB 0.134 32.729 32.500 0.159 0.000 0.728 270 K HN 0.117 nan 8.250 nan 0.000 0.448 271 A N 1.376 124.289 122.820 0.155 0.000 1.930 271 A HA -0.092 4.244 4.320 0.027 0.000 0.217 271 A C 2.074 179.775 177.584 0.195 0.000 1.175 271 A CA 1.110 53.239 52.037 0.154 0.000 0.627 271 A CB -0.496 18.563 19.000 0.098 0.000 0.815 271 A HN 0.134 nan 8.150 nan 0.000 0.443 272 L N -0.821 120.527 121.223 0.208 0.000 2.109 272 L HA -0.140 4.216 4.340 0.027 0.000 0.207 272 L C 2.599 179.693 176.870 0.373 0.000 1.086 272 L CA 1.719 56.714 54.840 0.259 0.000 0.760 272 L CB -0.353 41.792 42.059 0.143 0.000 0.910 272 L HN 0.436 nan 8.230 nan 0.000 0.437 273 K N -0.242 120.370 120.400 0.353 0.000 2.057 273 K HA -0.155 4.181 4.320 0.027 0.000 0.207 273 K C 2.002 178.698 176.600 0.159 0.000 1.049 273 K CA 1.745 58.155 56.287 0.206 0.000 0.931 273 K CB 0.002 32.342 32.500 -0.266 0.000 0.714 273 K HN 0.194 nan 8.250 nan 0.000 0.440 274 T N 1.959 116.604 114.554 0.152 0.000 2.684 274 T HA -0.140 4.226 4.350 0.027 0.000 0.267 274 T C 1.761 176.545 174.700 0.140 0.000 1.036 274 T CA 1.449 63.632 62.100 0.138 0.000 1.148 274 T CB -0.180 68.804 68.868 0.192 0.000 0.863 274 T HN 0.173 nan 8.240 nan 0.000 0.436 275 L N 0.666 121.993 121.223 0.173 0.000 2.131 275 L HA -0.017 4.339 4.340 0.027 0.000 0.210 275 L C 2.961 179.797 176.870 -0.056 0.000 1.092 275 L CA 1.213 56.099 54.840 0.076 0.000 0.759 275 L CB -0.890 41.215 42.059 0.075 0.000 0.903 275 L HN 0.366 nan 8.230 nan 0.000 0.435 276 G N 0.171 109.060 108.800 0.148 0.000 2.408 276 G HA2 -0.160 3.815 3.960 0.027 0.000 0.217 276 G HA3 -0.160 3.815 3.960 0.027 0.000 0.217 276 G C 1.590 176.567 174.900 0.129 0.000 1.150 276 G CA 0.394 45.662 45.100 0.279 0.000 0.776 276 G HN 0.283 nan 8.290 nan 0.000 0.542 277 I N 0.875 121.491 120.570 0.077 0.000 2.315 277 I HA -0.101 4.085 4.170 0.027 0.000 0.248 277 I C 2.467 178.573 176.117 -0.018 0.000 1.117 277 I CA 0.363 61.666 61.300 0.004 0.000 1.404 277 I CB -0.135 37.850 38.000 -0.024 0.000 1.071 277 I HN 0.064 nan 8.210 nan 0.000 0.419 278 I N 0.624 121.182 120.570 -0.021 0.000 2.179 278 I HA -0.295 3.891 4.170 0.027 0.000 0.242 278 I C 2.588 178.715 176.117 0.018 0.000 1.088 278 I CA 2.011 63.298 61.300 -0.022 0.000 1.357 278 I CB -0.933 37.059 38.000 -0.013 0.000 1.051 278 I HN 0.275 nan 8.210 nan 0.000 0.409 279 M N 0.232 119.809 119.600 -0.039 0.000 2.099 279 M HA -0.090 4.406 4.480 0.027 0.000 0.262 279 M C 2.361 178.697 176.300 0.060 0.000 1.067 279 M CA 1.978 57.251 55.300 -0.046 0.000 1.124 279 M CB -0.919 31.576 32.600 -0.175 0.000 1.353 279 M HN 0.298 nan 8.290 nan 0.000 0.410 280 G N -0.306 108.522 108.800 0.046 0.000 2.418 280 G HA2 -0.183 3.793 3.960 0.027 0.000 0.217 280 G HA3 -0.183 3.793 3.960 0.027 0.000 0.217 280 G C 1.483 176.407 174.900 0.039 0.000 1.158 280 G CA 1.500 46.630 45.100 0.051 0.000 0.771 280 G HN 0.381 nan 8.290 nan 0.000 0.545 281 T N 0.578 115.137 114.554 0.008 0.000 2.777 281 T HA -0.097 4.269 4.350 0.027 0.000 0.266 281 T C 1.934 176.654 174.700 0.033 0.000 1.040 281 T CA 1.004 63.066 62.100 -0.064 0.000 1.141 281 T CB -0.296 68.479 68.868 -0.156 0.000 0.868 281 T HN 0.250 nan 8.240 nan 0.000 0.444 282 F N 1.973 121.937 119.950 0.023 0.000 2.126 282 F HA -0.184 4.359 4.527 0.027 0.000 0.299 282 F C 2.429 178.363 175.800 0.223 0.000 1.096 282 F CA 1.352 59.447 58.000 0.158 0.000 1.255 282 F CB -0.538 38.556 39.000 0.156 0.000 0.997 282 F HN 0.077 nan 8.300 nan 0.000 0.479 283 T N 1.260 116.022 114.554 0.346 0.000 2.701 283 T HA -0.167 4.199 4.350 0.027 0.000 0.263 283 T C 2.092 176.887 174.700 0.160 0.000 1.040 283 T CA 1.727 63.993 62.100 0.277 0.000 1.147 283 T CB -0.592 68.378 68.868 0.171 0.000 0.865 283 T HN 0.227 nan 8.240 nan 0.000 0.426 284 L N 0.377 121.637 121.223 0.062 0.000 2.131 284 L HA -0.095 4.261 4.340 0.027 0.000 0.210 284 L C 2.677 179.507 176.870 -0.067 0.000 1.092 284 L CA 0.781 55.619 54.840 -0.003 0.000 0.759 284 L CB -0.591 41.438 42.059 -0.049 0.000 0.903 284 L HN 0.408 nan 8.230 nan 0.000 0.435 285 C N -2.043 117.170 119.300 -0.144 0.000 2.485 285 C HA -0.065 4.411 4.460 0.027 0.000 0.278 285 C C 2.292 176.996 174.990 -0.476 0.000 1.356 285 C CA -0.049 58.772 59.018 -0.329 0.000 1.747 285 C CB -0.829 26.654 27.740 -0.427 0.000 2.001 285 C HN 0.652 nan 8.230 nan 0.000 0.501 286 W N -0.524 120.636 121.300 -0.233 0.000 2.808 286 W HA 0.230 4.905 4.660 0.026 0.000 0.266 286 W C 2.156 178.644 176.519 -0.051 0.000 1.247 286 W CA -0.360 56.841 57.345 -0.240 0.000 1.440 286 W CB -0.324 28.867 29.460 -0.449 0.000 1.040 286 W HN 0.048 nan 8.180 nan 0.000 0.606 287 L N 2.014 123.422 121.223 0.309 0.000 2.012 287 L HA -0.096 4.260 4.340 0.027 0.000 0.210 287 L C -0.791 176.210 176.870 0.218 0.000 1.073 287 L CA 2.272 57.300 54.840 0.314 0.000 0.748 287 L CB -1.770 40.469 42.059 0.300 0.000 0.891 287 L HN -0.240 nan 8.230 nan 0.000 0.431 288 P HA -0.213 nan 4.420 nan 0.000 0.216 288 P C 1.667 179.019 177.300 0.085 0.000 1.150 288 P CA 1.439 64.597 63.100 0.097 0.000 0.837 288 P CB -0.249 31.478 31.700 0.045 0.000 0.786 289 F N -0.665 119.231 119.950 -0.090 0.000 2.084 289 F HA -0.142 4.400 4.527 0.026 0.000 0.296 289 F C 1.957 177.625 175.800 -0.220 0.000 1.111 289 F CA 1.512 59.377 58.000 -0.226 0.000 1.224 289 F CB -0.909 37.890 39.000 -0.334 0.000 0.991 289 F HN -0.233 nan 8.300 nan 0.000 0.471 290 F N 0.431 120.274 119.950 -0.179 0.000 2.186 290 F HA -0.136 4.407 4.527 0.027 0.000 0.299 290 F C 2.318 178.143 175.800 0.043 0.000 1.090 290 F CA 1.324 59.186 58.000 -0.230 0.000 1.307 290 F CB -0.608 38.083 39.000 -0.515 0.000 1.019 290 F HN -0.038 nan 8.300 nan 0.000 0.489 291 I N -0.720 120.011 120.570 0.269 0.000 2.179 291 I HA -0.279 3.907 4.170 0.027 0.000 0.242 291 I C 2.244 178.435 176.117 0.124 0.000 1.088 291 I CA 1.069 62.520 61.300 0.251 0.000 1.357 291 I CB -0.591 37.533 38.000 0.206 0.000 1.051 291 I HN -0.096 nan 8.210 nan 0.000 0.409 292 V N 1.131 121.070 119.914 0.041 0.000 2.594 292 V HA -0.261 3.875 4.120 0.027 0.000 0.253 292 V C 2.156 178.261 176.094 0.018 0.000 1.069 292 V CA 2.025 64.339 62.300 0.024 0.000 1.082 292 V CB -0.936 30.891 31.823 0.006 0.000 0.680 292 V HN 0.475 nan 8.190 nan 0.000 0.469 293 N N 0.545 119.187 118.700 -0.097 0.000 2.106 293 N HA -0.099 4.657 4.740 0.027 0.000 0.188 293 N C 1.609 177.165 175.510 0.076 0.000 1.029 293 N CA 1.674 54.687 53.050 -0.062 0.000 0.848 293 N CB -0.186 38.132 38.487 -0.282 0.000 1.007 293 N HN 0.462 nan 8.380 nan 0.000 0.423 294 I N -0.526 120.109 120.570 0.108 0.000 2.439 294 I HA -0.150 4.036 4.170 0.027 0.000 0.251 294 I C 1.811 177.969 176.117 0.068 0.000 1.139 294 I CA 0.431 61.788 61.300 0.095 0.000 1.438 294 I CB -0.083 37.966 38.000 0.081 0.000 1.085 294 I HN 0.002 nan 8.210 nan 0.000 0.427 295 V N 0.513 120.474 119.914 0.078 0.000 2.407 295 V HA -0.318 3.818 4.120 0.027 0.000 0.248 295 V C 2.476 178.611 176.094 0.070 0.000 1.055 295 V CA 1.912 64.250 62.300 0.064 0.000 1.049 295 V CB -0.962 30.903 31.823 0.070 0.000 0.662 295 V HN 0.535 nan 8.190 nan 0.000 0.455 296 H N -0.483 118.585 119.070 -0.004 0.000 2.495 296 H HA -0.050 4.522 4.556 0.027 0.000 0.287 296 H C 2.073 177.387 175.328 -0.024 0.000 1.033 296 H CA 1.509 57.541 56.048 -0.026 0.000 1.307 296 H CB 0.471 30.195 29.762 -0.064 0.000 1.401 296 H HN 0.328 nan 8.280 nan 0.000 0.555 297 V N 1.043 120.950 119.914 -0.010 0.000 2.407 297 V HA -0.190 3.946 4.120 0.027 0.000 0.245 297 V C 2.644 178.698 176.094 -0.067 0.000 1.041 297 V CA 0.816 63.092 62.300 -0.039 0.000 1.040 297 V CB -0.262 31.578 31.823 0.029 0.000 0.671 297 V HN 0.307 nan 8.190 nan 0.000 0.455 298 I N -0.075 120.469 120.570 -0.043 0.000 2.110 298 I HA -0.121 4.065 4.170 0.027 0.000 0.236 298 I C 1.050 177.128 176.117 -0.064 0.000 1.068 298 I CA 1.465 62.741 61.300 -0.041 0.000 1.333 298 I CB -0.821 37.167 38.000 -0.020 0.000 1.054 298 I HN 0.397 nan 8.210 nan 0.000 0.402 299 Q N 1.578 121.335 119.800 -0.073 0.000 2.363 299 Q HA 0.119 4.475 4.340 0.027 0.000 0.265 299 Q C -0.357 175.550 176.000 -0.155 0.000 1.032 299 Q CA -0.402 55.350 55.803 -0.084 0.000 0.746 299 Q CB 1.336 30.050 28.738 -0.041 0.000 1.237 299 Q HN 0.294 nan 8.270 nan 0.000 0.475 300 D N 1.391 121.647 120.400 -0.240 0.000 2.344 300 D HA -0.072 4.584 4.640 0.027 0.000 0.242 300 D C 0.181 176.366 176.300 -0.192 0.000 1.159 300 D CA 0.040 53.767 54.000 -0.455 0.000 0.859 300 D CB 0.021 40.533 40.800 -0.481 0.000 0.925 300 D HN 0.433 nan 8.370 nan 0.000 0.510 301 N N -0.345 118.312 118.700 -0.073 0.000 2.387 301 N HA 0.034 4.790 4.740 0.027 0.000 0.259 301 N C 0.506 176.032 175.510 0.027 0.000 1.369 301 N CA -0.413 52.636 53.050 -0.002 0.000 0.867 301 N CB -0.077 38.399 38.487 -0.017 0.000 1.341 301 N HN 0.139 nan 8.380 nan 0.000 0.495 302 L N 0.324 121.576 121.223 0.048 0.000 2.433 302 L HA 0.512 4.868 4.340 0.027 0.000 0.200 302 L C 0.031 176.947 176.870 0.077 0.000 1.059 302 L CA 0.666 55.538 54.840 0.053 0.000 0.835 302 L CB -0.053 42.031 42.059 0.042 0.000 1.076 302 L HN 0.230 nan 8.230 nan 0.000 0.481 303 I N -1.428 119.215 120.570 0.122 0.000 2.437 303 I HA 0.482 4.668 4.170 0.027 0.000 0.298 303 I C 0.162 176.334 176.117 0.093 0.000 0.984 303 I CA -0.590 60.774 61.300 0.107 0.000 1.214 303 I CB 1.135 39.201 38.000 0.111 0.000 1.365 303 I HN 0.030 nan 8.210 nan 0.000 0.469 304 R N 3.481 124.023 120.500 0.069 0.000 2.527 304 R HA 0.386 4.742 4.340 0.027 0.000 0.243 304 R C 0.853 177.179 176.300 0.044 0.000 1.206 304 R CA -0.876 55.256 56.100 0.054 0.000 1.134 304 R CB 0.508 30.841 30.300 0.056 0.000 1.347 304 R HN 0.733 nan 8.270 nan 0.000 0.580 305 K N 0.944 121.371 120.400 0.044 0.000 2.076 305 K HA -0.161 4.175 4.320 0.027 0.000 0.204 305 K C 1.769 178.459 176.600 0.149 0.000 1.051 305 K CA 1.486 57.814 56.287 0.067 0.000 0.949 305 K CB 0.115 32.648 32.500 0.055 0.000 0.726 305 K HN 0.395 nan 8.250 nan 0.000 0.443 306 E N 0.393 120.662 120.200 0.114 0.000 2.110 306 E HA -0.127 4.239 4.350 0.027 0.000 0.193 306 E C 1.685 178.358 176.600 0.122 0.000 0.988 306 E CA 1.140 57.608 56.400 0.113 0.000 0.804 306 E CB 0.024 29.769 29.700 0.076 0.000 0.745 306 E HN 0.146 nan 8.360 nan 0.000 0.458 307 V N 0.115 120.100 119.914 0.117 0.000 2.453 307 V HA -0.201 3.935 4.120 0.027 0.000 0.247 307 V C 1.995 178.178 176.094 0.148 0.000 1.048 307 V CA 1.840 64.206 62.300 0.110 0.000 1.049 307 V CB -0.678 31.199 31.823 0.091 0.000 0.672 307 V HN 0.381 nan 8.190 nan 0.000 0.457 308 Y N 0.512 120.840 120.300 0.046 0.000 2.200 308 Y HA -0.177 4.389 4.550 0.027 0.000 0.290 308 Y C 2.262 178.277 175.900 0.191 0.000 1.137 308 Y CA 1.757 59.896 58.100 0.066 0.000 1.163 308 Y CB -0.030 38.411 38.460 -0.031 0.000 0.988 308 Y HN 0.158 nan 8.280 nan 0.000 0.518 309 I N -0.757 119.969 120.570 0.260 0.000 2.353 309 I HA -0.241 3.945 4.170 0.027 0.000 0.248 309 I C 2.196 178.456 176.117 0.238 0.000 1.119 309 I CA 0.794 62.257 61.300 0.271 0.000 1.417 309 I CB -0.382 37.819 38.000 0.335 0.000 1.078 309 I HN 0.284 nan 8.210 nan 0.000 0.421 310 L N 1.013 122.325 121.223 0.149 0.000 2.012 310 L HA -0.183 4.173 4.340 0.027 0.000 0.210 310 L C 2.248 179.154 176.870 0.059 0.000 1.073 310 L CA 1.930 56.831 54.840 0.101 0.000 0.748 310 L CB -0.503 41.594 42.059 0.063 0.000 0.891 310 L HN 0.142 nan 8.230 nan 0.000 0.431 311 L N -0.729 120.504 121.223 0.017 0.000 2.291 311 L HA -0.169 4.187 4.340 0.027 0.000 0.214 311 L C 2.276 178.984 176.870 -0.269 0.000 1.120 311 L CA 1.334 56.141 54.840 -0.055 0.000 0.799 311 L CB -0.699 41.379 42.059 0.032 0.000 0.925 311 L HN 0.499 nan 8.230 nan 0.000 0.446 312 N N -0.528 117.959 118.700 -0.354 0.000 2.270 312 N HA -0.178 4.578 4.740 0.027 0.000 0.181 312 N C 1.754 176.622 175.510 -1.071 0.000 1.016 312 N CA 0.740 53.192 53.050 -0.997 0.000 0.870 312 N CB -0.007 37.983 38.487 -0.829 0.000 0.979 312 N HN 0.248 nan 8.380 nan 0.000 0.431 313 W N 1.036 122.022 121.300 -0.523 0.000 2.584 313 W HA 0.213 4.889 4.660 0.027 0.000 0.264 313 W C 1.750 178.090 176.519 -0.298 0.000 1.264 313 W CA 0.095 57.299 57.345 -0.234 0.000 1.306 313 W CB 0.025 29.487 29.460 0.004 0.000 1.110 313 W HN 0.062 nan 8.180 nan 0.000 0.606 314 I N -0.528 119.913 120.570 -0.215 0.000 2.439 314 I HA -0.113 4.073 4.170 0.027 0.000 0.251 314 I C 2.549 178.325 176.117 -0.569 0.000 1.139 314 I CA 1.404 62.554 61.300 -0.251 0.000 1.438 314 I CB -0.941 36.936 38.000 -0.205 0.000 1.085 314 I HN 0.030 nan 8.210 nan 0.000 0.427 315 G N -0.080 108.040 108.800 -1.133 0.000 2.408 315 G HA2 -0.198 3.778 3.960 0.027 0.000 0.215 315 G HA3 -0.198 3.778 3.960 0.027 0.000 0.215 315 G C 1.524 175.674 174.900 -1.249 0.000 1.156 315 G CA 0.321 44.097 45.100 -2.207 0.000 0.793 315 G HN 0.338 nan 8.290 nan 0.000 0.535 316 Y N -0.409 119.432 120.300 -0.765 0.000 2.293 316 Y HA -0.010 4.555 4.550 0.026 0.000 0.291 316 Y C 2.799 178.542 175.900 -0.262 0.000 1.137 316 Y CA 0.305 58.136 58.100 -0.448 0.000 1.202 316 Y CB 0.046 38.081 38.460 -0.708 0.000 0.990 316 Y HN 0.121 nan 8.280 nan 0.000 0.537 317 V N 0.744 120.623 119.914 -0.058 0.000 3.217 317 V HA -0.198 3.938 4.120 0.027 0.000 0.264 317 V C 1.675 177.753 176.094 -0.027 0.000 1.135 317 V CA 1.598 63.877 62.300 -0.035 0.000 1.142 317 V CB -0.519 31.311 31.823 0.012 0.000 0.754 317 V HN 0.430 nan 8.190 nan 0.000 0.484 318 N N 0.021 118.745 118.700 0.040 0.000 2.396 318 N HA -0.107 4.649 4.740 0.027 0.000 0.180 318 N C 1.796 177.438 175.510 0.219 0.000 1.028 318 N CA 1.638 54.826 53.050 0.231 0.000 0.893 318 N CB -0.122 38.350 38.487 -0.026 0.000 0.967 318 N HN 0.434 nan 8.380 nan 0.000 0.440 319 S N -1.345 114.437 115.700 0.136 0.000 2.423 319 S HA 0.012 4.498 4.470 0.027 0.000 0.231 319 S C 1.650 176.296 174.600 0.076 0.000 1.014 319 S CA 1.050 59.338 58.200 0.148 0.000 0.965 319 S CB -0.356 62.927 63.200 0.138 0.000 0.785 319 S HN 0.593 nan 8.310 nan 0.000 0.495 320 G N -0.792 107.992 108.800 -0.026 0.000 3.042 320 G HA2 0.165 4.141 3.960 0.027 0.000 0.212 320 G HA3 0.165 4.141 3.960 0.027 0.000 0.212 320 G C 0.851 175.649 174.900 -0.169 0.000 1.166 320 G CA -0.265 44.770 45.100 -0.109 0.000 0.767 320 G HN 0.451 nan 8.290 nan 0.000 0.546 321 F N 1.112 121.050 119.950 -0.019 0.000 2.187 321 F HA 0.018 4.561 4.527 0.026 0.000 0.295 321 F C 2.527 178.254 175.800 -0.121 0.000 1.091 321 F CA 0.501 58.468 58.000 -0.055 0.000 1.308 321 F CB 0.038 39.008 39.000 -0.051 0.000 1.030 321 F HN -0.009 nan 8.300 nan 0.000 0.487 322 N N 0.849 119.569 118.700 0.033 0.000 2.049 322 N HA -0.201 4.555 4.740 0.027 0.000 0.198 322 N C -0.837 174.389 175.510 -0.473 0.000 1.030 322 N CA 1.848 54.722 53.050 -0.295 0.000 0.870 322 N CB -2.065 36.316 38.487 -0.177 0.000 1.045 322 N HN 0.176 nan 8.380 nan 0.000 0.434 323 P HA -0.083 nan 4.420 nan 0.000 0.216 323 P C 1.654 178.914 177.300 -0.066 0.000 1.150 323 P CA 0.922 63.993 63.100 -0.048 0.000 0.837 323 P CB -0.049 31.574 31.700 -0.128 0.000 0.786 324 L N -1.529 119.661 121.223 -0.054 0.000 2.093 324 L HA -0.116 4.240 4.340 0.027 0.000 0.208 324 L C 2.343 179.229 176.870 0.027 0.000 1.085 324 L CA 1.237 56.085 54.840 0.013 0.000 0.755 324 L CB -0.720 41.370 42.059 0.051 0.000 0.904 324 L HN -0.062 nan 8.230 nan 0.000 0.435 325 I N -1.565 118.963 120.570 -0.070 0.000 2.546 325 I HA -0.263 3.923 4.170 0.027 0.000 0.255 325 I C 1.974 178.062 176.117 -0.048 0.000 1.163 325 I CA 1.186 62.427 61.300 -0.099 0.000 1.457 325 I CB -0.262 37.618 38.000 -0.200 0.000 1.092 325 I HN 0.204 nan 8.210 nan 0.000 0.434 326 Y N -0.232 120.103 120.300 0.058 0.000 2.571 326 Y HA -0.176 4.390 4.550 0.027 0.000 0.294 326 Y C 2.672 178.697 175.900 0.210 0.000 1.141 326 Y CA -0.070 58.043 58.100 0.020 0.000 1.308 326 Y CB -0.384 37.913 38.460 -0.272 0.000 1.002 326 Y HN 0.260 nan 8.280 nan 0.000 0.551 327 C N -0.085 119.442 119.300 0.377 0.000 2.419 327 C HA -0.176 4.300 4.460 0.027 0.000 0.281 327 C C 2.610 177.735 174.990 0.224 0.000 1.336 327 C CA 0.782 60.002 59.018 0.335 0.000 1.770 327 C CB -1.054 26.839 27.740 0.254 0.000 1.929 327 C HN 0.529 nan 8.230 nan 0.000 0.509 328 R N 0.702 121.315 120.500 0.189 0.000 2.096 328 R HA -0.122 4.233 4.340 0.027 0.000 0.240 328 R C 1.392 177.787 176.300 0.159 0.000 1.139 328 R CA 1.258 57.446 56.100 0.147 0.000 0.952 328 R CB -0.533 29.843 30.300 0.126 0.000 0.854 328 R HN 0.428 nan 8.270 nan 0.000 0.436 329 S N 0.899 116.736 115.700 0.228 0.000 2.498 329 S HA 0.085 4.571 4.470 0.027 0.000 0.281 329 S C -1.794 172.879 174.600 0.121 0.000 1.265 329 S CA -1.563 56.765 58.200 0.214 0.000 1.071 329 S CB 1.048 64.485 63.200 0.395 0.000 0.894 329 S HN -0.071 nan 8.310 nan 0.000 0.491 330 P HA -0.054 nan 4.420 nan 0.000 0.218 330 P C 0.567 177.806 177.300 -0.102 0.000 1.148 330 P CA 0.916 64.006 63.100 -0.018 0.000 0.822 330 P CB 0.118 31.803 31.700 -0.024 0.000 0.784 331 D N -1.512 118.789 120.400 -0.165 0.000 2.144 331 D HA -0.090 4.566 4.640 0.027 0.000 0.200 331 D C 1.681 177.687 176.300 -0.490 0.000 0.978 331 D CA 1.078 54.877 54.000 -0.334 0.000 0.833 331 D CB -0.846 39.708 40.800 -0.409 0.000 0.961 331 D HN 0.214 nan 8.370 nan 0.000 0.470 332 F N 0.761 120.498 119.950 -0.355 0.000 2.206 332 F HA 0.048 4.592 4.527 0.029 0.000 0.298 332 F C 2.501 177.774 175.800 -0.878 0.000 1.090 332 F CA 0.574 58.144 58.000 -0.716 0.000 1.323 332 F CB 0.045 38.680 39.000 -0.609 0.000 1.028 332 F HN -0.203 nan 8.300 nan 0.000 0.492 333 R N 0.480 120.862 120.500 -0.196 0.000 2.080 333 R HA -0.177 4.179 4.340 0.027 0.000 0.236 333 R C 2.197 178.435 176.300 -0.104 0.000 1.137 333 R CA 1.827 57.905 56.100 -0.037 0.000 0.943 333 R CB -0.698 29.631 30.300 0.049 0.000 0.846 333 R HN 0.302 nan 8.270 nan 0.000 0.431 334 I N 0.472 120.932 120.570 -0.182 0.000 2.208 334 I HA -0.298 3.888 4.170 0.027 0.000 0.245 334 I C 2.611 178.533 176.117 -0.325 0.000 1.097 334 I CA 1.389 62.565 61.300 -0.207 0.000 1.363 334 I CB -0.451 37.413 38.000 -0.227 0.000 1.051 334 I HN 0.240 nan 8.210 nan 0.000 0.413 335 A N 0.833 123.328 122.820 -0.541 0.000 1.898 335 A HA -0.173 4.163 4.320 0.027 0.000 0.216 335 A C 2.025 179.480 177.584 -0.215 0.000 1.181 335 A CA 1.454 53.044 52.037 -0.746 0.000 0.620 335 A CB -0.762 17.748 19.000 -0.817 0.000 0.819 335 A HN 0.294 nan 8.150 nan 0.000 0.442 336 F N 0.735 120.672 119.950 -0.022 0.000 2.084 336 F HA -0.167 4.378 4.527 0.029 0.000 0.296 336 F C 2.754 178.583 175.800 0.049 0.000 1.111 336 F CA 1.230 59.258 58.000 0.047 0.000 1.224 336 F CB -1.185 37.858 39.000 0.072 0.000 0.991 336 F HN 0.521 nan 8.300 nan 0.000 0.471 337 Q N 0.025 119.959 119.800 0.223 0.000 2.500 337 Q HA -0.157 4.199 4.340 0.027 0.000 0.213 337 Q C 1.638 177.704 176.000 0.111 0.000 0.974 337 Q CA 1.233 57.124 55.803 0.147 0.000 0.918 337 Q CB -0.340 28.463 28.738 0.108 0.000 0.980 337 Q HN 0.402 nan 8.270 nan 0.000 0.505 338 E N 1.352 121.613 120.200 0.102 0.000 2.166 338 E HA 0.034 4.399 4.350 0.027 0.000 0.192 338 E C 1.956 178.677 176.600 0.202 0.000 0.967 338 E CA 0.328 56.810 56.400 0.137 0.000 0.840 338 E CB 0.101 29.878 29.700 0.128 0.000 0.795 338 E HN 0.464 nan 8.360 nan 0.000 0.470 339 L N 0.525 121.892 121.223 0.240 0.000 2.217 339 L HA -0.034 4.322 4.340 0.027 0.000 0.211 339 L C 2.310 179.273 176.870 0.155 0.000 1.107 339 L CA 0.547 55.517 54.840 0.218 0.000 0.783 339 L CB -0.144 42.065 42.059 0.249 0.000 0.919 339 L HN 0.077 nan 8.230 nan 0.000 0.442 340 L N -1.204 120.114 121.223 0.158 0.000 2.558 340 L HA 0.003 4.359 4.340 0.027 0.000 0.225 340 L C 1.003 177.942 176.870 0.115 0.000 1.128 340 L CA -0.306 54.620 54.840 0.143 0.000 0.868 340 L CB -0.137 42.020 42.059 0.164 0.000 1.006 340 L HN 0.348 nan 8.230 nan 0.000 0.454 341 C N 1.487 120.852 119.300 0.109 0.000 3.873 341 C HA -0.174 4.302 4.460 0.027 0.000 0.302 341 C C 0.328 175.363 174.990 0.075 0.000 1.266 341 C CA -0.274 58.796 59.018 0.087 0.000 2.185 341 C CB -2.195 25.589 27.740 0.073 0.000 1.380 341 C HN 0.385 nan 8.230 nan 0.000 0.623 1003 I N -0.517 120.044 120.570 -0.016 0.000 2.928 1003 I HA 0.105 4.291 4.170 0.027 0.000 0.266 1003 I C 0.766 176.770 176.117 -0.188 0.000 1.234 1003 I CA 0.674 61.893 61.300 -0.134 0.000 1.483 1003 I CB -0.154 37.707 38.000 -0.231 0.000 1.097 1003 I HN 0.403 nan 8.210 nan 0.000 0.455 1004 F N 1.234 121.183 119.950 -0.002 0.000 2.234 1004 F HA -0.136 4.407 4.527 0.028 0.000 0.299 1004 F C 2.368 178.247 175.800 0.132 0.000 1.087 1004 F CA 1.231 59.352 58.000 0.201 0.000 1.340 1004 F CB -0.168 38.925 39.000 0.156 0.000 1.031 1004 F HN 0.100 nan 8.300 nan 0.000 0.500 1005 E N -0.435 119.824 120.200 0.099 0.000 2.166 1005 E HA -0.109 4.257 4.350 0.027 0.000 0.192 1005 E C 2.160 178.669 176.600 -0.151 0.000 0.967 1005 E CA 0.477 56.853 56.400 -0.041 0.000 0.840 1005 E CB -0.179 29.469 29.700 -0.087 0.000 0.795 1005 E HN 0.365 nan 8.360 nan 0.000 0.470 1006 M N 1.047 120.493 119.600 -0.256 0.000 2.065 1006 M HA -0.212 4.284 4.480 0.027 0.000 0.259 1006 M C 2.053 178.221 176.300 -0.220 0.000 1.069 1006 M CA 1.643 56.691 55.300 -0.420 0.000 1.110 1006 M CB -0.007 32.352 32.600 -0.403 0.000 1.328 1006 M HN 0.113 nan 8.290 nan 0.000 0.405 1007 L N -0.695 120.445 121.223 -0.138 0.000 2.056 1007 L HA -0.186 4.170 4.340 0.027 0.000 0.207 1007 L C 2.835 179.650 176.870 -0.092 0.000 1.078 1007 L CA 0.880 55.656 54.840 -0.107 0.000 0.749 1007 L CB -0.849 41.077 42.059 -0.222 0.000 0.901 1007 L HN 0.373 nan 8.230 nan 0.000 0.433 1008 R N 1.053 121.457 120.500 -0.161 0.000 2.091 1008 R HA -0.188 4.168 4.340 0.027 0.000 0.238 1008 R C 2.106 178.344 176.300 -0.104 0.000 1.136 1008 R CA 1.797 57.743 56.100 -0.256 0.000 0.959 1008 R CB -0.566 29.555 30.300 -0.298 0.000 0.856 1008 R HN 0.338 nan 8.270 nan 0.000 0.437 1009 I N 1.524 122.066 120.570 -0.046 0.000 2.058 1009 I HA -0.327 3.859 4.170 0.027 0.000 0.235 1009 I C 1.873 178.033 176.117 0.072 0.000 1.053 1009 I CA 2.070 63.387 61.300 0.028 0.000 1.313 1009 I CB -0.622 37.441 38.000 0.105 0.000 1.039 1009 I HN 0.244 nan 8.210 nan 0.000 0.396 1010 D N -0.294 120.191 120.400 0.141 0.000 2.363 1010 D HA -0.173 4.483 4.640 0.027 0.000 0.220 1010 D C 1.692 178.073 176.300 0.134 0.000 0.994 1010 D CA 0.698 54.791 54.000 0.156 0.000 0.890 1010 D CB -0.151 40.797 40.800 0.247 0.000 0.906 1010 D HN 0.347 nan 8.370 nan 0.000 0.530 1011 E N 0.203 120.469 120.200 0.110 0.000 2.340 1011 E HA 0.299 4.665 4.350 0.027 0.000 0.198 1011 E C 0.984 177.639 176.600 0.091 0.000 0.961 1011 E CA 0.830 57.321 56.400 0.152 0.000 0.905 1011 E CB 0.472 30.295 29.700 0.205 0.000 0.884 1011 E HN 0.292 nan 8.360 nan 0.000 0.491 1012 G N 0.234 109.044 108.800 0.018 0.000 2.782 1012 G HA2 -0.248 3.728 3.960 0.027 0.000 0.228 1012 G HA3 -0.248 3.728 3.960 0.027 0.000 0.228 1012 G C -0.960 173.913 174.900 -0.045 0.000 1.372 1012 G CA -0.155 44.926 45.100 -0.032 0.000 0.862 1012 G HN 0.363 nan 8.290 nan 0.000 0.547 1013 L N -0.312 120.871 121.223 -0.067 0.000 2.505 1013 L HA 0.821 5.177 4.340 0.027 0.000 0.266 1013 L C -0.294 176.546 176.870 -0.050 0.000 0.954 1013 L CA -0.909 53.905 54.840 -0.043 0.000 0.852 1013 L CB 1.549 43.570 42.059 -0.063 0.000 1.282 1013 L HN 0.828 nan 8.230 nan 0.000 0.403 1014 R N 4.944 125.444 120.500 0.000 0.000 2.538 1014 R HA 0.414 4.770 4.340 0.027 0.000 0.292 1014 R C 0.209 176.571 176.300 0.104 0.000 1.008 1014 R CA -0.686 55.419 56.100 0.009 0.000 0.896 1014 R CB 2.114 32.354 30.300 -0.101 0.000 1.187 1014 R HN 0.686 nan 8.270 nan 0.000 0.440 1015 L N 1.389 122.656 121.223 0.073 0.000 2.492 1015 L HA 0.099 4.454 4.340 0.027 0.000 0.223 1015 L C 0.355 177.287 176.870 0.104 0.000 1.132 1015 L CA 1.123 56.011 54.840 0.080 0.000 0.850 1015 L CB -0.143 41.945 42.059 0.049 0.000 0.966 1015 L HN 0.343 nan 8.230 nan 0.000 0.454 1016 K N 0.172 120.650 120.400 0.130 0.000 2.221 1016 K HA 0.488 4.824 4.320 0.027 0.000 0.243 1016 K C -0.391 176.344 176.600 0.225 0.000 0.968 1016 K CA -0.907 55.465 56.287 0.142 0.000 0.846 1016 K CB 2.433 35.000 32.500 0.111 0.000 1.141 1016 K HN -0.122 nan 8.250 nan 0.000 0.434 1017 I N 3.437 124.118 120.570 0.185 0.000 2.587 1017 I HA -0.009 4.177 4.170 0.027 0.000 0.284 1017 I C -0.256 176.021 176.117 0.268 0.000 1.134 1017 I CA 0.195 61.611 61.300 0.195 0.000 1.410 1017 I CB -0.358 37.730 38.000 0.146 0.000 1.392 1017 I HN 0.544 nan 8.210 nan 0.000 0.545 1018 Y N 4.782 125.168 120.300 0.143 0.000 2.634 1018 Y HA 0.671 5.234 4.550 0.021 0.000 0.340 1018 Y C -1.031 174.899 175.900 0.050 0.000 1.058 1018 Y CA -1.565 56.590 58.100 0.092 0.000 1.081 1018 Y CB 1.006 39.502 38.460 0.061 0.000 1.295 1018 Y HN 0.259 nan 8.280 nan 0.000 0.487 1019 K N 2.476 122.915 120.400 0.065 0.000 2.213 1019 K HA 0.199 4.535 4.320 0.027 0.000 0.270 1019 K C -0.881 175.761 176.600 0.069 0.000 1.002 1019 K CA -0.879 55.331 56.287 -0.128 0.000 0.868 1019 K CB 1.095 33.466 32.500 -0.216 0.000 1.093 1019 K HN 0.808 nan 8.250 nan 0.000 0.454 1020 D N 1.058 121.449 120.400 -0.015 0.000 2.325 1020 D HA -0.085 4.571 4.640 0.027 0.000 0.262 1020 D C 1.205 177.530 176.300 0.042 0.000 1.263 1020 D CA -0.120 53.955 54.000 0.126 0.000 1.020 1020 D CB -0.116 40.749 40.800 0.109 0.000 1.117 1020 D HN 0.562 nan 8.370 nan 0.000 0.545 1021 T N -2.772 111.815 114.554 0.054 0.000 2.788 1021 T HA -0.172 4.194 4.350 0.027 0.000 0.268 1021 T C 1.392 176.052 174.700 -0.067 0.000 1.044 1021 T CA 1.412 63.517 62.100 0.008 0.000 1.139 1021 T CB -0.509 68.381 68.868 0.037 0.000 0.867 1021 T HN 0.528 nan 8.240 nan 0.000 0.454 1022 E N 0.979 121.108 120.200 -0.118 0.000 2.358 1022 E HA 0.280 4.646 4.350 0.027 0.000 0.195 1022 E C 1.724 178.013 176.600 -0.518 0.000 1.010 1022 E CA 0.303 56.527 56.400 -0.293 0.000 0.856 1022 E CB -0.192 29.329 29.700 -0.299 0.000 0.795 1022 E HN 0.724 nan 8.360 nan 0.000 0.504 1023 G N 0.528 109.083 108.800 -0.408 0.000 2.179 1023 G HA2 -0.250 3.726 3.960 0.027 0.000 0.220 1023 G HA3 -0.250 3.726 3.960 0.027 0.000 0.220 1023 G C -0.148 174.491 174.900 -0.435 0.000 0.990 1023 G CA -0.271 44.592 45.100 -0.395 0.000 0.646 1023 G HN 0.242 nan 8.290 nan 0.000 0.517 1024 Y N -0.220 119.977 120.300 -0.172 0.000 2.304 1024 Y HA 0.547 5.112 4.550 0.026 0.000 0.327 1024 Y C 0.888 176.636 175.900 -0.253 0.000 1.209 1024 Y CA -1.078 56.916 58.100 -0.178 0.000 1.299 1024 Y CB 0.526 38.937 38.460 -0.082 0.000 1.249 1024 Y HN 0.147 nan 8.280 nan 0.000 0.519 1025 Y N 1.539 121.874 120.300 0.058 0.000 2.605 1025 Y HA 0.161 4.726 4.550 0.025 0.000 0.336 1025 Y C 0.408 176.215 175.900 -0.155 0.000 1.111 1025 Y CA 0.135 58.194 58.100 -0.067 0.000 1.422 1025 Y CB 0.127 38.568 38.460 -0.031 0.000 1.193 1025 Y HN 0.506 nan 8.280 nan 0.000 0.526 1026 T N 5.080 119.477 114.554 -0.261 0.000 2.916 1026 T HA 0.711 5.077 4.350 0.027 0.000 0.292 1026 T C -1.029 173.391 174.700 -0.468 0.000 1.055 1026 T CA -0.766 61.094 62.100 -0.400 0.000 1.009 1026 T CB 2.018 70.553 68.868 -0.554 0.000 1.118 1026 T HN 0.538 nan 8.240 nan 0.000 0.497 1027 I N -0.137 120.391 120.570 -0.070 0.000 3.004 1027 I HA 0.558 4.744 4.170 0.027 0.000 0.305 1027 I C 0.528 176.829 176.117 0.307 0.000 1.312 1027 I CA 0.146 61.558 61.300 0.187 0.000 0.992 1027 I CB 1.596 39.692 38.000 0.159 0.000 1.282 1027 I HN 0.899 nan 8.210 nan 0.000 0.449 1028 G N 5.466 114.451 108.800 0.307 0.000 2.531 1028 G HA2 -0.263 3.713 3.960 0.027 0.000 0.274 1028 G HA3 -0.263 3.713 3.960 0.027 0.000 0.274 1028 G C -0.120 174.926 174.900 0.244 0.000 1.159 1028 G CA 0.220 45.456 45.100 0.227 0.000 0.969 1028 G HN 0.715 nan 8.290 nan 0.000 0.554 1029 I N 2.781 123.486 120.570 0.225 0.000 2.325 1029 I HA 0.447 4.633 4.170 0.027 0.000 0.285 1029 I C 1.487 177.872 176.117 0.448 0.000 1.128 1029 I CA 0.620 62.035 61.300 0.192 0.000 1.261 1029 I CB -0.001 37.895 38.000 -0.174 0.000 1.529 1029 I HN 1.767 nan 8.210 nan 0.000 0.557 1030 G N 3.024 112.086 108.800 0.436 0.000 2.283 1030 G HA2 -0.343 3.633 3.960 0.027 0.000 0.280 1030 G HA3 -0.343 3.633 3.960 0.027 0.000 0.280 1030 G C 0.151 175.214 174.900 0.272 0.000 1.029 1030 G CA 0.195 45.542 45.100 0.412 0.000 0.840 1030 G HN 0.795 nan 8.290 nan 0.000 0.505 1031 H N -0.433 118.745 119.070 0.180 0.000 2.846 1031 H HA 0.511 5.093 4.556 0.043 0.000 0.278 1031 H C 0.526 175.859 175.328 0.008 0.000 1.117 1031 H CA -0.985 55.108 56.048 0.076 0.000 1.406 1031 H CB 0.499 30.336 29.762 0.124 0.000 1.445 1031 H HN 0.270 nan 8.280 nan 0.000 0.469 1032 L N 6.449 127.435 121.223 -0.396 0.000 2.433 1032 L HA 0.063 4.419 4.340 0.027 0.000 0.275 1032 L C -0.017 176.614 176.870 -0.397 0.000 1.128 1032 L CA 0.459 55.114 54.840 -0.309 0.000 0.875 1032 L CB -0.057 41.854 42.059 -0.247 0.000 1.171 1032 L HN 0.875 nan 8.230 nan 0.000 0.463 1033 L N 3.056 124.175 121.223 -0.174 0.000 2.084 1033 L HA 0.141 4.497 4.340 0.027 0.000 0.202 1033 L C 0.942 177.766 176.870 -0.077 0.000 1.074 1033 L CA 0.986 55.778 54.840 -0.080 0.000 0.757 1033 L CB -0.280 41.790 42.059 0.019 0.000 0.918 1033 L HN 0.763 nan 8.230 nan 0.000 0.444 1034 T N -1.920 112.607 114.554 -0.045 0.000 2.886 1034 T HA 0.230 4.596 4.350 0.027 0.000 0.330 1034 T C -0.381 174.290 174.700 -0.048 0.000 1.488 1034 T CA -0.674 61.395 62.100 -0.053 0.000 1.054 1034 T CB 1.623 70.481 68.868 -0.016 0.000 1.348 1034 T HN 0.005 nan 8.240 nan 0.000 0.489 1035 K N 1.144 121.451 120.400 -0.155 0.000 2.374 1035 K HA 0.237 4.573 4.320 0.027 0.000 0.196 1035 K C 0.704 177.329 176.600 0.041 0.000 1.023 1035 K CA -0.150 55.966 56.287 -0.286 0.000 1.103 1035 K CB 0.475 32.601 32.500 -0.623 0.000 0.848 1035 K HN 0.385 nan 8.250 nan 0.000 0.528 1036 S N 1.761 117.505 115.700 0.074 0.000 2.565 1036 S HA 0.146 4.632 4.470 0.027 0.000 0.276 1036 S C -1.954 172.778 174.600 0.220 0.000 1.326 1036 S CA -1.489 56.776 58.200 0.109 0.000 1.045 1036 S CB 0.761 63.991 63.200 0.050 0.000 0.918 1036 S HN -0.044 nan 8.310 nan 0.000 0.505 1037 P HA 0.100 nan 4.420 nan 0.000 0.242 1037 P C -0.174 177.292 177.300 0.276 0.000 1.197 1037 P CA 0.133 63.392 63.100 0.265 0.000 0.765 1037 P CB 0.062 31.852 31.700 0.150 0.000 0.936 1038 S N 0.232 116.008 115.700 0.126 0.000 2.513 1038 S HA 0.195 4.681 4.470 0.027 0.000 0.276 1038 S C 0.981 175.425 174.600 -0.260 0.000 1.254 1038 S CA -0.690 57.503 58.200 -0.013 0.000 1.053 1038 S CB 0.217 63.402 63.200 -0.024 0.000 0.958 1038 S HN -0.101 nan 8.310 nan 0.000 0.491 1039 L N 5.684 126.709 121.223 -0.331 0.000 2.109 1039 L HA 0.139 4.495 4.340 0.027 0.000 0.207 1039 L C 1.606 178.268 176.870 -0.347 0.000 1.086 1039 L CA 1.793 56.282 54.840 -0.585 0.000 0.760 1039 L CB -0.844 41.040 42.059 -0.292 0.000 0.910 1039 L HN 0.652 nan 8.230 nan 0.000 0.437 1040 N N 0.146 118.734 118.700 -0.186 0.000 2.396 1040 N HA -0.026 4.730 4.740 0.027 0.000 0.180 1040 N C 1.791 177.236 175.510 -0.109 0.000 1.028 1040 N CA 1.160 54.139 53.050 -0.118 0.000 0.893 1040 N CB -0.356 38.090 38.487 -0.069 0.000 0.967 1040 N HN 0.489 nan 8.380 nan 0.000 0.440 1041 A N 0.671 123.417 122.820 -0.123 0.000 1.929 1041 A HA 0.149 4.485 4.320 0.027 0.000 0.216 1041 A C 2.285 179.810 177.584 -0.098 0.000 1.176 1041 A CA 1.532 53.517 52.037 -0.087 0.000 0.628 1041 A CB -0.639 18.324 19.000 -0.063 0.000 0.816 1041 A HN 0.276 nan 8.150 nan 0.000 0.444 1042 A N 0.010 122.724 122.820 -0.177 0.000 1.898 1042 A HA -0.107 4.228 4.320 0.027 0.000 0.216 1042 A C 2.089 179.619 177.584 -0.091 0.000 1.181 1042 A CA 1.656 53.603 52.037 -0.150 0.000 0.620 1042 A CB -0.356 18.460 19.000 -0.307 0.000 0.819 1042 A HN 0.515 nan 8.150 nan 0.000 0.442 1043 K N -0.434 119.901 120.400 -0.109 0.000 2.148 1043 K HA -0.066 4.270 4.320 0.027 0.000 0.204 1043 K C 2.369 178.949 176.600 -0.033 0.000 1.050 1043 K CA 1.193 57.445 56.287 -0.057 0.000 0.942 1043 K CB -0.166 32.298 32.500 -0.060 0.000 0.724 1043 K HN 0.433 nan 8.250 nan 0.000 0.446 1044 S N 1.113 116.789 115.700 -0.040 0.000 2.368 1044 S HA -0.127 4.359 4.470 0.027 0.000 0.224 1044 S C 1.753 176.347 174.600 -0.011 0.000 1.029 1044 S CA 1.142 59.328 58.200 -0.024 0.000 0.988 1044 S CB -0.024 63.159 63.200 -0.028 0.000 0.838 1044 S HN 0.188 nan 8.310 nan 0.000 0.462 1045 E N 0.685 120.878 120.200 -0.011 0.000 2.274 1045 E HA -0.027 4.339 4.350 0.027 0.000 0.194 1045 E C 1.895 178.516 176.600 0.035 0.000 0.996 1045 E CA 0.383 56.789 56.400 0.009 0.000 0.840 1045 E CB -0.324 29.378 29.700 0.003 0.000 0.772 1045 E HN 0.447 nan 8.360 nan 0.000 0.491 1046 L N 1.392 122.633 121.223 0.029 0.000 2.095 1046 L HA -0.058 4.298 4.340 0.027 0.000 0.204 1046 L C 1.343 178.230 176.870 0.028 0.000 1.080 1046 L CA 1.660 56.526 54.840 0.043 0.000 0.759 1046 L CB -0.208 41.874 42.059 0.038 0.000 0.914 1046 L HN -0.159 nan 8.230 nan 0.000 0.439 1047 D N -0.371 120.038 120.400 0.014 0.000 2.219 1047 D HA -0.187 4.469 4.640 0.027 0.000 0.205 1047 D C 2.029 178.336 176.300 0.011 0.000 0.970 1047 D CA 1.000 55.005 54.000 0.010 0.000 0.851 1047 D CB 0.035 40.836 40.800 0.003 0.000 0.943 1047 D HN 0.403 nan 8.370 nan 0.000 0.488 1048 K N 0.755 121.163 120.400 0.013 0.000 2.007 1048 K HA -0.023 4.313 4.320 0.027 0.000 0.206 1048 K C 2.041 178.652 176.600 0.019 0.000 1.047 1048 K CA 1.076 57.371 56.287 0.013 0.000 0.937 1048 K CB -0.009 32.499 32.500 0.013 0.000 0.718 1048 K HN -0.011 nan 8.250 nan 0.000 0.438 1049 A N 1.653 124.491 122.820 0.030 0.000 1.883 1049 A HA -0.147 4.189 4.320 0.027 0.000 0.217 1049 A C 2.055 179.643 177.584 0.007 0.000 1.186 1049 A CA 1.484 53.538 52.037 0.029 0.000 0.624 1049 A CB -0.456 18.578 19.000 0.056 0.000 0.822 1049 A HN 0.312 nan 8.150 nan 0.000 0.444 1050 I N -1.894 118.680 120.570 0.007 0.000 2.270 1050 I HA 0.112 4.298 4.170 0.027 0.000 0.239 1050 I C 1.845 177.966 176.117 0.006 0.000 1.080 1050 I CA 1.836 63.138 61.300 0.003 0.000 1.383 1050 I CB -1.739 36.266 38.000 0.008 0.000 1.097 1050 I HN 0.593 nan 8.210 nan 0.000 0.420 1051 G N 2.134 110.938 108.800 0.007 0.000 2.186 1051 G HA2 -0.134 3.842 3.960 0.027 0.000 0.130 1051 G HA3 -0.134 3.842 3.960 0.027 0.000 0.130 1051 G C 0.205 175.108 174.900 0.006 0.000 1.031 1051 G CA 0.045 45.148 45.100 0.006 0.000 0.697 1051 G HN 0.628 nan 8.290 nan 0.000 0.494 1052 R N -1.997 118.508 120.500 0.007 0.000 2.728 1052 R HA 0.508 4.864 4.340 0.027 0.000 0.274 1052 R C -1.407 174.897 176.300 0.007 0.000 1.030 1052 R CA -1.150 54.954 56.100 0.006 0.000 0.876 1052 R CB 0.048 30.353 30.300 0.007 0.000 1.259 1052 R HN -0.057 nan 8.270 nan 0.000 0.468 1053 N N 1.407 120.110 118.700 0.006 0.000 2.466 1053 N HA 0.030 4.786 4.740 0.027 0.000 0.263 1053 N C 0.477 175.992 175.510 0.008 0.000 1.178 1053 N CA 0.426 53.479 53.050 0.005 0.000 0.983 1053 N CB 1.333 39.822 38.487 0.004 0.000 1.331 1053 N HN 0.730 nan 8.380 nan 0.000 0.500 1054 T N -1.466 113.095 114.554 0.010 0.000 3.014 1054 T HA -0.034 4.332 4.350 0.027 0.000 0.263 1054 T C 0.558 175.267 174.700 0.016 0.000 1.078 1054 T CA 0.252 62.361 62.100 0.015 0.000 1.135 1054 T CB -0.314 68.566 68.868 0.021 0.000 0.895 1054 T HN 0.615 nan 8.240 nan 0.000 0.480 1055 N N 0.987 119.693 118.700 0.010 0.000 2.725 1055 N HA -0.164 4.592 4.740 0.027 0.000 0.249 1055 N C 0.712 176.231 175.510 0.015 0.000 1.103 1055 N CA 0.141 53.196 53.050 0.009 0.000 0.707 1055 N CB -1.570 36.924 38.487 0.010 0.000 1.043 1055 N HN 0.864 nan 8.380 nan 0.000 0.553 1056 G N -1.667 107.143 108.800 0.018 0.000 2.147 1056 G HA2 -0.246 3.730 3.960 0.027 0.000 0.244 1056 G HA3 -0.246 3.730 3.960 0.027 0.000 0.244 1056 G C -0.178 174.752 174.900 0.051 0.000 1.005 1056 G CA 0.302 45.421 45.100 0.032 0.000 0.713 1056 G HN 0.462 nan 8.290 nan 0.000 0.515 1057 V N 1.510 121.451 119.914 0.044 0.000 2.623 1057 V HA 0.756 4.892 4.120 0.027 0.000 0.304 1057 V C 0.367 176.487 176.094 0.043 0.000 1.054 1057 V CA -0.406 61.922 62.300 0.047 0.000 0.882 1057 V CB 1.887 33.733 31.823 0.038 0.000 1.002 1057 V HN 0.750 nan 8.190 nan 0.000 0.424 1058 I N 1.298 121.897 120.570 0.049 0.000 3.145 1058 I HA 0.879 5.065 4.170 0.027 0.000 0.313 1058 I C 0.285 176.425 176.117 0.038 0.000 1.122 1058 I CA -0.638 60.687 61.300 0.042 0.000 0.987 1058 I CB 2.582 40.611 38.000 0.047 0.000 1.236 1058 I HN 0.632 nan 8.210 nan 0.000 0.453 1059 T N -0.932 113.641 114.554 0.031 0.000 2.824 1059 T HA 0.287 4.653 4.350 0.027 0.000 0.277 1059 T C 0.698 175.416 174.700 0.030 0.000 0.975 1059 T CA -0.493 61.623 62.100 0.027 0.000 0.966 1059 T CB 1.568 70.449 68.868 0.022 0.000 1.054 1059 T HN 0.878 nan 8.240 nan 0.000 0.533 1060 K N -0.247 120.167 120.400 0.024 0.000 2.288 1060 K HA -0.081 4.255 4.320 0.027 0.000 0.201 1060 K C 1.105 177.723 176.600 0.030 0.000 1.048 1060 K CA 1.067 57.368 56.287 0.023 0.000 0.956 1060 K CB -0.213 32.296 32.500 0.014 0.000 0.746 1060 K HN 0.573 nan 8.250 nan 0.000 0.461 1061 D N 0.964 121.381 120.400 0.029 0.000 2.084 1061 D HA -0.140 4.516 4.640 0.027 0.000 0.196 1061 D C 1.492 177.815 176.300 0.037 0.000 0.985 1061 D CA 1.277 55.296 54.000 0.032 0.000 0.826 1061 D CB -0.066 40.749 40.800 0.024 0.000 0.978 1061 D HN 0.297 nan 8.370 nan 0.000 0.456 1062 E N 0.460 120.679 120.200 0.032 0.000 2.153 1062 E HA -0.100 4.266 4.350 0.027 0.000 0.194 1062 E C 2.008 178.630 176.600 0.036 0.000 0.988 1062 E CA 0.915 57.331 56.400 0.028 0.000 0.811 1062 E CB -0.075 29.638 29.700 0.022 0.000 0.746 1062 E HN 0.224 nan 8.360 nan 0.000 0.466 1063 A N 1.301 124.152 122.820 0.051 0.000 1.930 1063 A HA -0.216 4.120 4.320 0.027 0.000 0.217 1063 A C 2.045 179.700 177.584 0.119 0.000 1.175 1063 A CA 1.386 53.466 52.037 0.073 0.000 0.627 1063 A CB -0.274 18.764 19.000 0.063 0.000 0.815 1063 A HN 0.228 nan 8.150 nan 0.000 0.443 1064 E N -0.015 120.252 120.200 0.113 0.000 2.112 1064 E HA -0.143 4.223 4.350 0.027 0.000 0.190 1064 E C 1.857 178.580 176.600 0.206 0.000 0.979 1064 E CA 0.990 57.502 56.400 0.187 0.000 0.814 1064 E CB -0.067 29.707 29.700 0.124 0.000 0.762 1064 E HN 0.595 nan 8.360 nan 0.000 0.460 1065 K N 0.311 120.778 120.400 0.112 0.000 2.057 1065 K HA -0.128 4.208 4.320 0.027 0.000 0.207 1065 K C 2.222 178.865 176.600 0.072 0.000 1.049 1065 K CA 1.209 57.541 56.287 0.076 0.000 0.931 1065 K CB -0.083 32.438 32.500 0.036 0.000 0.714 1065 K HN 0.207 nan 8.250 nan 0.000 0.440 1066 L N -0.271 120.981 121.223 0.048 0.000 2.109 1066 L HA -0.131 4.225 4.340 0.027 0.000 0.207 1066 L C 2.327 179.274 176.870 0.128 0.000 1.086 1066 L CA 0.712 55.531 54.840 -0.035 0.000 0.760 1066 L CB -0.340 41.565 42.059 -0.257 0.000 0.910 1066 L HN 0.105 nan 8.230 nan 0.000 0.437 1067 F N 1.515 121.522 119.950 0.094 0.000 2.171 1067 F HA -0.184 4.339 4.527 -0.005 0.000 0.300 1067 F C 2.233 178.167 175.800 0.222 0.000 1.090 1067 F CA 1.402 59.521 58.000 0.197 0.000 1.293 1067 F CB -0.269 38.836 39.000 0.174 0.000 1.013 1067 F HN 0.112 nan 8.300 nan 0.000 0.486 1068 N N 0.398 119.180 118.700 0.137 0.000 2.142 1068 N HA -0.158 4.598 4.740 0.027 0.000 0.186 1068 N C 1.802 177.342 175.510 0.050 0.000 1.023 1068 N CA 1.517 54.631 53.050 0.107 0.000 0.852 1068 N CB -0.590 37.969 38.487 0.120 0.000 0.998 1068 N HN 0.478 nan 8.380 nan 0.000 0.424 1069 Q N 0.291 120.123 119.800 0.053 0.000 2.084 1069 Q HA -0.103 4.253 4.340 0.027 0.000 0.202 1069 Q C 0.972 177.002 176.000 0.049 0.000 0.978 1069 Q CA 1.180 57.009 55.803 0.043 0.000 0.844 1069 Q CB -0.041 28.719 28.738 0.037 0.000 0.898 1069 Q HN 0.350 nan 8.270 nan 0.000 0.426 1070 D N -0.045 120.409 120.400 0.090 0.000 2.144 1070 D HA -0.114 4.542 4.640 0.027 0.000 0.200 1070 D C 1.962 178.335 176.300 0.121 0.000 0.978 1070 D CA 0.861 54.941 54.000 0.132 0.000 0.833 1070 D CB -0.127 40.846 40.800 0.287 0.000 0.961 1070 D HN 0.041 nan 8.370 nan 0.000 0.470 1071 V N 1.407 121.313 119.914 -0.013 0.000 2.307 1071 V HA -0.189 3.947 4.120 0.027 0.000 0.245 1071 V C 1.770 177.813 176.094 -0.085 0.000 1.045 1071 V CA 1.648 63.848 62.300 -0.166 0.000 1.024 1071 V CB -0.395 31.045 31.823 -0.639 0.000 0.651 1071 V HN 0.050 nan 8.190 nan 0.000 0.449 1072 D N 0.708 121.087 120.400 -0.035 0.000 2.117 1072 D HA -0.119 4.537 4.640 0.027 0.000 0.197 1072 D C 2.197 178.485 176.300 -0.019 0.000 0.987 1072 D CA 1.637 55.633 54.000 -0.008 0.000 0.829 1072 D CB -0.372 40.440 40.800 0.020 0.000 0.961 1072 D HN 0.437 nan 8.370 nan 0.000 0.460 1073 A N 0.777 123.592 122.820 -0.009 0.000 1.969 1073 A HA 0.018 4.354 4.320 0.027 0.000 0.218 1073 A C 2.263 179.828 177.584 -0.031 0.000 1.169 1073 A CA 1.928 53.955 52.037 -0.016 0.000 0.635 1073 A CB -0.527 18.470 19.000 -0.007 0.000 0.810 1073 A HN 0.233 nan 8.150 nan 0.000 0.445 1074 A N -0.477 122.332 122.820 -0.018 0.000 1.872 1074 A HA 0.053 4.389 4.320 0.027 0.000 0.214 1074 A C 2.209 179.748 177.584 -0.075 0.000 1.187 1074 A CA 1.612 53.638 52.037 -0.018 0.000 0.614 1074 A CB -0.953 18.081 19.000 0.057 0.000 0.826 1074 A HN 0.353 nan 8.150 nan 0.000 0.442 1075 V N 0.246 120.102 119.914 -0.097 0.000 2.255 1075 V HA -0.323 3.813 4.120 0.027 0.000 0.247 1075 V C 2.654 178.625 176.094 -0.204 0.000 1.051 1075 V CA 2.443 64.632 62.300 -0.184 0.000 1.018 1075 V CB -0.905 30.846 31.823 -0.119 0.000 0.641 1075 V HN 0.533 nan 8.190 nan 0.000 0.445 1076 R N 0.166 120.596 120.500 -0.117 0.000 2.105 1076 R HA -0.112 4.244 4.340 0.027 0.000 0.239 1076 R C 2.466 178.710 176.300 -0.093 0.000 1.135 1076 R CA 1.466 57.510 56.100 -0.093 0.000 0.967 1076 R CB -0.857 29.410 30.300 -0.054 0.000 0.861 1076 R HN 0.607 nan 8.270 nan 0.000 0.442 1077 G N 0.866 109.615 108.800 -0.085 0.000 2.432 1077 G HA2 -0.204 3.772 3.960 0.027 0.000 0.219 1077 G HA3 -0.204 3.772 3.960 0.027 0.000 0.219 1077 G C 1.414 176.265 174.900 -0.083 0.000 1.135 1077 G CA 0.512 45.570 45.100 -0.070 0.000 0.767 1077 G HN 0.177 nan 8.290 nan 0.000 0.550 1078 I N 0.221 120.712 120.570 -0.132 0.000 2.286 1078 I HA -0.061 4.124 4.170 0.027 0.000 0.245 1078 I C 2.559 178.591 176.117 -0.141 0.000 1.104 1078 I CA 0.613 61.823 61.300 -0.150 0.000 1.397 1078 I CB -0.150 37.689 38.000 -0.269 0.000 1.072 1078 I HN 0.111 nan 8.210 nan 0.000 0.417 1079 L N 0.223 121.339 121.223 -0.180 0.000 2.201 1079 L HA -0.149 4.206 4.340 0.027 0.000 0.212 1079 L C 2.709 179.544 176.870 -0.058 0.000 1.105 1079 L CA 1.006 55.778 54.840 -0.113 0.000 0.775 1079 L CB -0.536 41.454 42.059 -0.116 0.000 0.913 1079 L HN 0.232 nan 8.230 nan 0.000 0.440 1080 R N 0.779 121.244 120.500 -0.059 0.000 2.057 1080 R HA -0.080 4.276 4.340 0.027 0.000 0.229 1080 R C 1.167 177.451 176.300 -0.027 0.000 1.136 1080 R CA 0.583 56.661 56.100 -0.037 0.000 0.952 1080 R CB -0.058 30.219 30.300 -0.037 0.000 0.848 1080 R HN 0.317 nan 8.270 nan 0.000 0.430 1081 N N 0.279 118.961 118.700 -0.029 0.000 2.440 1081 N HA -0.054 4.702 4.740 0.027 0.000 0.265 1081 N C 0.571 176.076 175.510 -0.007 0.000 1.239 1081 N CA 0.252 53.291 53.050 -0.017 0.000 0.909 1081 N CB 1.304 39.782 38.487 -0.015 0.000 1.066 1081 N HN 0.358 nan 8.380 nan 0.000 0.474 1082 A N 4.905 127.724 122.820 -0.003 0.000 1.978 1082 A HA -0.172 4.164 4.320 0.027 0.000 0.220 1082 A C 1.980 179.570 177.584 0.010 0.000 1.170 1082 A CA 1.298 53.337 52.037 0.003 0.000 0.636 1082 A CB -0.083 18.917 19.000 0.001 0.000 0.810 1082 A HN 0.799 nan 8.150 nan 0.000 0.448 1083 K N -0.555 119.851 120.400 0.011 0.000 2.076 1083 K HA 0.117 4.453 4.320 0.027 0.000 0.204 1083 K C 1.643 178.260 176.600 0.028 0.000 1.051 1083 K CA 1.138 57.436 56.287 0.018 0.000 0.949 1083 K CB -0.254 32.256 32.500 0.017 0.000 0.726 1083 K HN 0.444 nan 8.250 nan 0.000 0.443 1084 L N 1.172 122.411 121.223 0.028 0.000 2.341 1084 L HA -0.020 4.336 4.340 0.027 0.000 0.214 1084 L C 2.472 179.379 176.870 0.063 0.000 1.115 1084 L CA 0.544 55.410 54.840 0.043 0.000 0.820 1084 L CB -0.243 41.831 42.059 0.025 0.000 0.944 1084 L HN 0.157 nan 8.230 nan 0.000 0.452 1085 K N 1.256 121.680 120.400 0.041 0.000 2.009 1085 K HA -0.168 4.168 4.320 0.027 0.000 0.210 1085 K C -0.597 176.059 176.600 0.093 0.000 1.049 1085 K CA 1.670 57.988 56.287 0.052 0.000 0.929 1085 K CB -0.672 31.843 32.500 0.025 0.000 0.714 1085 K HN 0.180 nan 8.250 nan 0.000 0.440 1086 P HA -0.032 nan 4.420 nan 0.000 0.227 1086 P C 1.257 178.607 177.300 0.084 0.000 1.161 1086 P CA 0.577 63.718 63.100 0.069 0.000 0.788 1086 P CB 0.171 31.896 31.700 0.041 0.000 0.822 1087 V N -1.020 118.951 119.914 0.095 0.000 2.358 1087 V HA -0.248 3.887 4.120 0.027 0.000 0.246 1087 V C 2.298 178.480 176.094 0.146 0.000 1.047 1087 V CA 1.589 63.949 62.300 0.100 0.000 1.035 1087 V CB -1.425 30.446 31.823 0.081 0.000 0.658 1087 V HN 0.032 nan 8.190 nan 0.000 0.452 1088 Y N 1.513 121.842 120.300 0.049 0.000 2.274 1088 Y HA -0.217 4.348 4.550 0.025 0.000 0.290 1088 Y C 2.210 178.142 175.900 0.053 0.000 1.145 1088 Y CA 1.850 59.983 58.100 0.054 0.000 1.203 1088 Y CB -0.137 38.347 38.460 0.039 0.000 0.984 1088 Y HN 0.355 nan 8.280 nan 0.000 0.533 1089 D N -1.129 119.349 120.400 0.130 0.000 2.194 1089 D HA -0.125 4.531 4.640 0.027 0.000 0.204 1089 D C 2.326 178.636 176.300 0.016 0.000 0.964 1089 D CA 1.494 55.529 54.000 0.058 0.000 0.846 1089 D CB -0.472 40.383 40.800 0.091 0.000 0.962 1089 D HN 0.448 nan 8.370 nan 0.000 0.490 1090 S N -0.298 115.427 115.700 0.042 0.000 2.522 1090 S HA 0.021 4.507 4.470 0.027 0.000 0.227 1090 S C 0.996 175.649 174.600 0.089 0.000 0.986 1090 S CA 0.005 58.240 58.200 0.058 0.000 0.929 1090 S CB -0.221 63.017 63.200 0.064 0.000 0.769 1090 S HN 0.096 nan 8.310 nan 0.000 0.529 1091 L N 2.875 124.120 121.223 0.037 0.000 2.379 1091 L HA 0.415 4.771 4.340 0.027 0.000 0.269 1091 L C 0.197 177.016 176.870 -0.085 0.000 1.084 1091 L CA -1.021 53.833 54.840 0.022 0.000 0.802 1091 L CB 0.645 42.699 42.059 -0.009 0.000 1.175 1091 L HN 0.282 nan 8.230 nan 0.000 0.448 1092 D N 1.310 121.654 120.400 -0.093 0.000 2.383 1092 D HA 0.125 4.781 4.640 0.027 0.000 0.248 1092 D C 0.894 177.100 176.300 -0.155 0.000 1.170 1092 D CA -0.262 53.670 54.000 -0.113 0.000 0.977 1092 D CB 1.147 41.882 40.800 -0.109 0.000 1.120 1092 D HN 0.548 nan 8.370 nan 0.000 0.481 1093 A N 0.505 123.260 122.820 -0.108 0.000 1.997 1093 A HA -0.172 4.164 4.320 0.027 0.000 0.221 1093 A C 2.195 179.739 177.584 -0.066 0.000 1.172 1093 A CA 2.071 54.068 52.037 -0.068 0.000 0.645 1093 A CB -0.834 18.166 19.000 0.001 0.000 0.813 1093 A HN 0.424 nan 8.150 nan 0.000 0.454 1094 V N -0.811 119.009 119.914 -0.157 0.000 2.446 1094 V HA -0.134 4.002 4.120 0.027 0.000 0.244 1094 V C 2.478 178.285 176.094 -0.479 0.000 1.039 1094 V CA 1.800 63.885 62.300 -0.359 0.000 1.045 1094 V CB -0.699 30.763 31.823 -0.602 0.000 0.681 1094 V HN 0.507 nan 8.190 nan 0.000 0.459 1095 R N -0.170 120.092 120.500 -0.397 0.000 2.148 1095 R HA -0.009 4.347 4.340 0.027 0.000 0.223 1095 R C 2.492 178.684 176.300 -0.179 0.000 1.088 1095 R CA 0.790 56.677 56.100 -0.355 0.000 0.985 1095 R CB -0.213 29.945 30.300 -0.236 0.000 0.880 1095 R HN 0.474 nan 8.270 nan 0.000 0.451 1096 R N 0.383 120.774 120.500 -0.180 0.000 2.075 1096 R HA -0.056 4.300 4.340 0.027 0.000 0.232 1096 R C 2.309 178.608 176.300 -0.001 0.000 1.126 1096 R CA 1.409 57.417 56.100 -0.152 0.000 0.963 1096 R CB -0.321 29.729 30.300 -0.417 0.000 0.858 1096 R HN 0.163 nan 8.270 nan 0.000 0.435 1097 A N 1.165 123.946 122.820 -0.065 0.000 1.933 1097 A HA -0.118 4.218 4.320 0.027 0.000 0.218 1097 A C 2.316 179.832 177.584 -0.114 0.000 1.175 1097 A CA 1.711 53.728 52.037 -0.033 0.000 0.628 1097 A CB -0.522 18.529 19.000 0.084 0.000 0.814 1097 A HN 0.409 nan 8.150 nan 0.000 0.444 1098 A N -0.861 121.780 122.820 -0.298 0.000 1.968 1098 A HA 0.082 4.418 4.320 0.027 0.000 0.217 1098 A C 2.070 179.562 177.584 -0.155 0.000 1.169 1098 A CA 1.541 53.294 52.037 -0.472 0.000 0.638 1098 A CB -0.436 17.803 19.000 -1.269 0.000 0.812 1098 A HN 0.595 nan 8.150 nan 0.000 0.446 1099 L N -0.150 121.130 121.223 0.095 0.000 2.072 1099 L HA 0.040 4.396 4.340 0.027 0.000 0.205 1099 L C 2.109 179.071 176.870 0.154 0.000 1.079 1099 L CA 1.502 56.523 54.840 0.301 0.000 0.752 1099 L CB -0.373 41.897 42.059 0.351 0.000 0.906 1099 L HN 0.404 nan 8.230 nan 0.000 0.436 1100 I N -0.189 120.456 120.570 0.125 0.000 2.394 1100 I HA -0.258 3.928 4.170 0.027 0.000 0.251 1100 I C 2.300 178.457 176.117 0.066 0.000 1.136 1100 I CA 1.076 62.422 61.300 0.076 0.000 1.425 1100 I CB -0.580 37.446 38.000 0.044 0.000 1.079 1100 I HN 0.442 nan 8.210 nan 0.000 0.425 1101 N N 1.609 120.330 118.700 0.036 0.000 2.120 1101 N HA -0.192 4.564 4.740 0.027 0.000 0.188 1101 N C 1.936 177.528 175.510 0.136 0.000 1.024 1101 N CA 1.734 54.822 53.050 0.064 0.000 0.852 1101 N CB -0.054 38.455 38.487 0.038 0.000 1.003 1101 N HN 0.299 nan 8.380 nan 0.000 0.424 1102 M N -0.056 119.574 119.600 0.049 0.000 2.132 1102 M HA -0.099 4.397 4.480 0.027 0.000 0.263 1102 M C 2.194 178.465 176.300 -0.049 0.000 1.065 1102 M CA 0.977 56.209 55.300 -0.114 0.000 1.122 1102 M CB -0.095 32.311 32.600 -0.322 0.000 1.365 1102 M HN -0.066 nan 8.290 nan 0.000 0.411 1103 V N -0.272 119.654 119.914 0.019 0.000 2.515 1103 V HA -0.241 3.895 4.120 0.027 0.000 0.250 1103 V C 2.075 178.211 176.094 0.069 0.000 1.058 1103 V CA 1.595 63.913 62.300 0.029 0.000 1.064 1103 V CB -0.787 31.051 31.823 0.024 0.000 0.675 1103 V HN 0.371 nan 8.190 nan 0.000 0.461 1104 F N 0.554 120.494 119.950 -0.017 0.000 2.234 1104 F HA -0.186 4.353 4.527 0.019 0.000 0.299 1104 F C 2.464 178.291 175.800 0.044 0.000 1.087 1104 F CA 2.196 60.201 58.000 0.009 0.000 1.340 1104 F CB 0.042 39.052 39.000 0.017 0.000 1.031 1104 F HN 0.137 nan 8.300 nan 0.000 0.500 1105 Q N -0.625 119.301 119.800 0.211 0.000 2.165 1105 Q HA -0.035 4.321 4.340 0.027 0.000 0.197 1105 Q C 1.889 177.930 176.000 0.070 0.000 0.952 1105 Q CA 1.104 57.008 55.803 0.168 0.000 0.848 1105 Q CB 0.142 29.040 28.738 0.265 0.000 0.931 1105 Q HN 0.452 nan 8.270 nan 0.000 0.470 1106 M N -0.973 118.642 119.600 0.025 0.000 2.571 1106 M HA 0.280 4.776 4.480 0.027 0.000 0.259 1106 M C 0.426 176.721 176.300 -0.008 0.000 1.205 1106 M CA 0.624 55.934 55.300 0.016 0.000 1.138 1106 M CB 1.714 34.314 32.600 -0.000 0.000 1.329 1106 M HN 0.265 nan 8.290 nan 0.000 0.503 1107 G N 0.725 109.511 108.800 -0.024 0.000 2.570 1107 G HA2 -0.136 3.840 3.960 0.027 0.000 0.686 1107 G HA3 -0.136 3.840 3.960 0.027 0.000 0.686 1107 G C -0.368 174.522 174.900 -0.017 0.000 1.257 1107 G CA -0.717 44.362 45.100 -0.035 0.000 0.846 1107 G HN 0.254 nan 8.290 nan 0.000 0.627 1108 E N -0.244 119.943 120.200 -0.023 0.000 2.110 1108 E HA -0.009 4.356 4.350 0.027 0.000 0.193 1108 E C 2.716 179.314 176.600 -0.003 0.000 0.988 1108 E CA 2.202 58.594 56.400 -0.014 0.000 0.804 1108 E CB -0.203 29.482 29.700 -0.025 0.000 0.745 1108 E HN 0.558 nan 8.360 nan 0.000 0.458 1109 T N -0.380 114.167 114.554 -0.011 0.000 2.777 1109 T HA -0.073 4.293 4.350 0.027 0.000 0.266 1109 T C 1.922 176.618 174.700 -0.007 0.000 1.040 1109 T CA 1.218 63.311 62.100 -0.011 0.000 1.141 1109 T CB -0.562 68.294 68.868 -0.020 0.000 0.868 1109 T HN 0.389 nan 8.240 nan 0.000 0.444 1110 G N 0.987 109.787 108.800 0.000 0.000 2.408 1110 G HA2 -0.129 3.846 3.960 0.027 0.000 0.217 1110 G HA3 -0.129 3.846 3.960 0.027 0.000 0.217 1110 G C 1.610 176.552 174.900 0.070 0.000 1.150 1110 G CA 0.658 45.763 45.100 0.008 0.000 0.776 1110 G HN 0.450 nan 8.290 nan 0.000 0.542 1111 V N 1.283 121.267 119.914 0.117 0.000 2.809 1111 V HA 0.045 4.181 4.120 0.027 0.000 0.256 1111 V C 3.097 179.338 176.094 0.245 0.000 1.080 1111 V CA 1.413 63.858 62.300 0.241 0.000 1.102 1111 V CB -0.296 31.561 31.823 0.058 0.000 0.705 1111 V HN 0.437 nan 8.190 nan 0.000 0.475 1112 A N 0.774 123.655 122.820 0.102 0.000 2.119 1112 A HA 0.047 4.382 4.320 0.027 0.000 0.217 1112 A C 2.314 179.919 177.584 0.034 0.000 1.153 1112 A CA 1.337 53.411 52.037 0.062 0.000 0.692 1112 A CB -0.735 18.278 19.000 0.021 0.000 0.799 1112 A HN 0.512 nan 8.150 nan 0.000 0.458 1113 G N -0.848 107.933 108.800 -0.032 0.000 2.443 1113 G HA2 -0.015 3.961 3.960 0.027 0.000 0.219 1113 G HA3 -0.015 3.961 3.960 0.027 0.000 0.219 1113 G C 0.446 175.223 174.900 -0.206 0.000 1.131 1113 G CA 0.104 45.104 45.100 -0.167 0.000 0.775 1113 G HN 0.434 nan 8.290 nan 0.000 0.547 1114 F N 2.334 122.271 119.950 -0.021 0.000 2.678 1114 F HA 0.227 4.770 4.527 0.026 0.000 0.358 1114 F C 1.819 177.604 175.800 -0.026 0.000 1.256 1114 F CA -0.139 57.850 58.000 -0.018 0.000 1.278 1114 F CB -0.093 38.887 39.000 -0.035 0.000 1.681 1114 F HN -0.117 nan 8.300 nan 0.000 0.661 1115 T N -0.504 114.096 114.554 0.076 0.000 2.821 1115 T HA -0.170 4.196 4.350 0.027 0.000 0.267 1115 T C 1.855 176.580 174.700 0.043 0.000 1.046 1115 T CA 1.336 63.462 62.100 0.044 0.000 1.139 1115 T CB -0.058 68.816 68.868 0.010 0.000 0.871 1115 T HN 0.363 nan 8.240 nan 0.000 0.454 1116 N N 0.746 119.479 118.700 0.055 0.000 2.333 1116 N HA 0.087 4.843 4.740 0.027 0.000 0.178 1116 N C 2.119 177.647 175.510 0.030 0.000 1.018 1116 N CA 0.580 53.651 53.050 0.035 0.000 0.882 1116 N CB -0.289 38.219 38.487 0.035 0.000 0.984 1116 N HN 0.242 nan 8.380 nan 0.000 0.434 1117 S N 1.183 116.924 115.700 0.069 0.000 2.357 1117 S HA 0.093 4.579 4.470 0.027 0.000 0.221 1117 S C 2.081 176.644 174.600 -0.063 0.000 1.031 1117 S CA 0.534 58.734 58.200 0.000 0.000 0.982 1117 S CB -0.236 62.964 63.200 -0.000 0.000 0.853 1117 S HN 0.198 nan 8.310 nan 0.000 0.458 1118 L N 1.233 122.443 121.223 -0.020 0.000 2.083 1118 L HA -0.098 4.258 4.340 0.027 0.000 0.209 1118 L C 2.747 179.599 176.870 -0.030 0.000 1.083 1118 L CA 1.153 55.972 54.840 -0.034 0.000 0.752 1118 L CB -0.454 41.614 42.059 0.014 0.000 0.899 1118 L HN 0.263 nan 8.230 nan 0.000 0.433 1119 R N 0.534 121.021 120.500 -0.021 0.000 2.080 1119 R HA -0.182 4.174 4.340 0.027 0.000 0.236 1119 R C 2.236 178.498 176.300 -0.064 0.000 1.137 1119 R CA 1.776 57.857 56.100 -0.032 0.000 0.943 1119 R CB -0.166 30.120 30.300 -0.023 0.000 0.846 1119 R HN 0.295 nan 8.270 nan 0.000 0.431 1120 M N 0.440 119.993 119.600 -0.078 0.000 2.562 1120 M HA -0.042 4.454 4.480 0.027 0.000 0.257 1120 M C 1.885 178.076 176.300 -0.182 0.000 1.099 1120 M CA 0.757 55.980 55.300 -0.128 0.000 1.099 1120 M CB 0.195 32.731 32.600 -0.106 0.000 1.427 1120 M HN 0.211 nan 8.290 nan 0.000 0.489 1121 L N -0.356 120.801 121.223 -0.110 0.000 2.240 1121 L HA -0.133 4.223 4.340 0.027 0.000 0.211 1121 L C 2.507 179.366 176.870 -0.017 0.000 1.106 1121 L CA 0.982 55.814 54.840 -0.013 0.000 0.793 1121 L CB -0.358 41.692 42.059 -0.015 0.000 0.927 1121 L HN 0.395 nan 8.230 nan 0.000 0.446 1122 Q N -0.064 119.701 119.800 -0.059 0.000 2.269 1122 Q HA -0.125 4.231 4.340 0.027 0.000 0.201 1122 Q C 1.685 177.615 176.000 -0.116 0.000 0.946 1122 Q CA 0.710 56.489 55.803 -0.039 0.000 0.877 1122 Q CB 0.300 29.029 28.738 -0.016 0.000 0.963 1122 Q HN 0.504 nan 8.270 nan 0.000 0.472 1123 Q N 0.046 119.735 119.800 -0.184 0.000 2.415 1123 Q HA 0.024 4.379 4.340 0.027 0.000 0.206 1123 Q C -0.415 175.361 176.000 -0.374 0.000 0.946 1123 Q CA 0.058 55.732 55.803 -0.216 0.000 0.951 1123 Q CB 0.591 29.226 28.738 -0.171 0.000 1.026 1123 Q HN 0.120 nan 8.270 nan 0.000 0.510 1124 K N -0.213 119.801 120.400 -0.644 0.000 3.209 1124 K HA -0.198 4.138 4.320 0.027 0.000 0.289 1124 K C -0.641 175.122 176.600 -1.394 0.000 1.191 1124 K CA 0.876 56.422 56.287 -1.236 0.000 0.851 1124 K CB -1.702 30.472 32.500 -0.544 0.000 1.242 1124 K HN 0.371 nan 8.250 nan 0.000 0.480 1125 R N 0.113 120.053 120.500 -0.933 0.000 3.070 1125 R HA 0.169 4.525 4.340 0.027 0.000 0.252 1125 R C 0.938 177.020 176.300 -0.363 0.000 1.370 1125 R CA -0.329 55.450 56.100 -0.536 0.000 1.482 1125 R CB -0.279 29.849 30.300 -0.288 0.000 1.220 1125 R HN 0.244 nan 8.270 nan 0.000 0.622 1126 W N 0.701 121.993 121.300 -0.015 0.000 2.354 1126 W HA -0.138 4.539 4.660 0.028 0.000 0.315 1126 W C 1.282 177.799 176.519 -0.004 0.000 1.206 1126 W CA 0.315 57.659 57.345 -0.003 0.000 1.290 1126 W CB -0.070 29.402 29.460 0.020 0.000 1.152 1126 W HN 0.335 nan 8.180 nan 0.000 0.489 1127 D N 0.476 121.001 120.400 0.208 0.000 2.123 1127 D HA -0.175 4.481 4.640 0.027 0.000 0.196 1127 D C 1.770 178.102 176.300 0.054 0.000 0.992 1127 D CA 1.619 55.686 54.000 0.112 0.000 0.833 1127 D CB -0.541 40.305 40.800 0.077 0.000 0.954 1127 D HN 0.356 nan 8.370 nan 0.000 0.455 1128 E N 0.270 120.480 120.200 0.018 0.000 2.076 1128 E HA -0.001 4.365 4.350 0.027 0.000 0.190 1128 E C 2.111 178.710 176.600 -0.000 0.000 0.979 1128 E CA 0.757 57.154 56.400 -0.005 0.000 0.807 1128 E CB -0.016 29.665 29.700 -0.032 0.000 0.761 1128 E HN 0.186 nan 8.360 nan 0.000 0.454 1129 A N 1.459 124.279 122.820 0.000 0.000 1.972 1129 A HA -0.071 4.265 4.320 0.027 0.000 0.219 1129 A C 2.339 179.924 177.584 0.002 0.000 1.169 1129 A CA 1.510 53.538 52.037 -0.014 0.000 0.635 1129 A CB -0.448 18.529 19.000 -0.038 0.000 0.810 1129 A HN 0.274 nan 8.150 nan 0.000 0.446 1130 A N -0.665 122.183 122.820 0.048 0.000 2.014 1130 A HA 0.109 4.445 4.320 0.027 0.000 0.218 1130 A C 2.114 179.701 177.584 0.005 0.000 1.163 1130 A CA 1.504 53.578 52.037 0.061 0.000 0.652 1130 A CB -0.571 18.490 19.000 0.102 0.000 0.808 1130 A HN 0.340 nan 8.150 nan 0.000 0.449 1131 V N 0.778 120.689 119.914 -0.005 0.000 2.453 1131 V HA -0.196 3.940 4.120 0.027 0.000 0.247 1131 V C 2.067 178.148 176.094 -0.022 0.000 1.048 1131 V CA 2.024 64.303 62.300 -0.035 0.000 1.049 1131 V CB -0.938 30.872 31.823 -0.021 0.000 0.672 1131 V HN 0.538 nan 8.190 nan 0.000 0.457 1132 N N 0.386 119.098 118.700 0.020 0.000 2.244 1132 N HA -0.044 4.712 4.740 0.027 0.000 0.183 1132 N C 1.650 177.249 175.510 0.148 0.000 1.016 1132 N CA 1.003 54.095 53.050 0.071 0.000 0.866 1132 N CB -0.395 38.139 38.487 0.078 0.000 0.980 1132 N HN 0.387 nan 8.380 nan 0.000 0.430 1133 L N -0.133 121.166 121.223 0.127 0.000 2.201 1133 L HA 0.016 4.372 4.340 0.027 0.000 0.212 1133 L C 2.087 179.063 176.870 0.178 0.000 1.105 1133 L CA 0.732 55.716 54.840 0.240 0.000 0.775 1133 L CB -0.315 41.884 42.059 0.232 0.000 0.913 1133 L HN 0.159 nan 8.230 nan 0.000 0.440 1134 A N -0.247 122.518 122.820 -0.092 0.000 2.016 1134 A HA -0.066 4.270 4.320 0.027 0.000 0.217 1134 A C 1.535 179.053 177.584 -0.110 0.000 1.162 1134 A CA 0.656 52.424 52.037 -0.448 0.000 0.662 1134 A CB -0.104 18.491 19.000 -0.675 0.000 0.812 1134 A HN 0.240 nan 8.150 nan 0.000 0.450 1135 K N 1.579 121.992 120.400 0.022 0.000 3.192 1135 K HA 0.206 4.542 4.320 0.027 0.000 0.269 1135 K C -0.539 176.156 176.600 0.158 0.000 1.270 1135 K CA 0.242 56.576 56.287 0.078 0.000 1.249 1135 K CB -0.197 32.335 32.500 0.054 0.000 1.528 1135 K HN 0.524 nan 8.250 nan 0.000 0.360 1136 S N -1.630 114.210 115.700 0.232 0.000 2.570 1136 S HA 0.298 4.784 4.470 0.027 0.000 0.270 1136 S C 0.387 175.161 174.600 0.290 0.000 1.149 1136 S CA -1.138 57.234 58.200 0.287 0.000 0.837 1136 S CB 1.964 65.489 63.200 0.541 0.000 1.124 1136 S HN 0.342 nan 8.310 nan 0.000 0.465 1137 R N -0.458 120.183 120.500 0.236 0.000 2.193 1137 R HA -0.044 4.312 4.340 0.027 0.000 0.229 1137 R C 1.666 178.137 176.300 0.285 0.000 1.110 1137 R CA 1.642 57.864 56.100 0.204 0.000 0.988 1137 R CB -0.302 30.081 30.300 0.138 0.000 0.871 1137 R HN 0.805 nan 8.270 nan 0.000 0.458 1138 W N 0.059 121.491 121.300 0.221 0.000 2.381 1138 W HA -0.241 4.434 4.660 0.025 0.000 0.301 1138 W C 1.605 178.256 176.519 0.220 0.000 1.205 1138 W CA 1.298 58.788 57.345 0.242 0.000 1.285 1138 W CB -0.662 29.017 29.460 0.365 0.000 1.133 1138 W HN 0.133 nan 8.180 nan 0.000 0.521 1139 Y N 1.581 121.795 120.300 -0.144 0.000 2.263 1139 Y HA -0.158 4.408 4.550 0.026 0.000 0.292 1139 Y C 2.370 178.162 175.900 -0.180 0.000 1.130 1139 Y CA 2.378 60.261 58.100 -0.362 0.000 1.179 1139 Y CB -0.961 37.373 38.460 -0.209 0.000 0.998 1139 Y HN 0.019 nan 8.280 nan 0.000 0.532 1140 N N 0.055 118.742 118.700 -0.022 0.000 2.270 1140 N HA -0.169 4.587 4.740 0.027 0.000 0.181 1140 N C 1.779 177.229 175.510 -0.100 0.000 1.016 1140 N CA 1.385 54.396 53.050 -0.064 0.000 0.870 1140 N CB -0.218 38.300 38.487 0.052 0.000 0.979 1140 N HN 0.431 nan 8.380 nan 0.000 0.431 1141 Q N -0.250 119.521 119.800 -0.048 0.000 1.994 1141 Q HA 0.043 4.399 4.340 0.027 0.000 0.198 1141 Q C -0.051 175.906 176.000 -0.072 0.000 0.976 1141 Q CA 1.449 57.240 55.803 -0.019 0.000 0.828 1141 Q CB -0.265 28.516 28.738 0.072 0.000 0.894 1141 Q HN 0.373 nan 8.270 nan 0.000 0.432 1142 T N -2.399 112.081 114.554 -0.123 0.000 3.155 1142 T HA 0.447 4.813 4.350 0.027 0.000 0.384 1142 T C -2.459 172.047 174.700 -0.325 0.000 1.351 1142 T CA -1.860 60.154 62.100 -0.144 0.000 1.198 1142 T CB 1.344 70.205 68.868 -0.013 0.000 1.106 1142 T HN 0.024 nan 8.240 nan 0.000 0.564 1143 P HA -0.033 nan 4.420 nan 0.000 0.214 1143 P C 1.527 178.605 177.300 -0.368 0.000 1.162 1143 P CA 0.828 63.573 63.100 -0.591 0.000 0.874 1143 P CB 0.153 31.551 31.700 -0.503 0.000 0.784 1144 N N -0.450 118.120 118.700 -0.216 0.000 2.104 1144 N HA -0.182 4.574 4.740 0.027 0.000 0.190 1144 N C 1.860 177.305 175.510 -0.107 0.000 1.024 1144 N CA 1.164 54.134 53.050 -0.134 0.000 0.853 1144 N CB -0.681 37.753 38.487 -0.088 0.000 1.008 1144 N HN 0.147 nan 8.380 nan 0.000 0.424 1145 R N 0.586 121.039 120.500 -0.078 0.000 2.062 1145 R HA 0.072 4.428 4.340 0.027 0.000 0.229 1145 R C 2.044 178.350 176.300 0.009 0.000 1.128 1145 R CA 1.213 57.324 56.100 0.019 0.000 0.960 1145 R CB -0.231 30.137 30.300 0.114 0.000 0.855 1145 R HN 0.170 nan 8.270 nan 0.000 0.432 1146 A N 1.524 124.223 122.820 -0.202 0.000 1.908 1146 A HA -0.223 4.112 4.320 0.027 0.000 0.218 1146 A C 2.095 179.606 177.584 -0.122 0.000 1.181 1146 A CA 1.750 53.505 52.037 -0.470 0.000 0.627 1146 A CB -0.547 17.796 19.000 -1.097 0.000 0.818 1146 A HN 0.424 nan 8.150 nan 0.000 0.445 1147 K N -0.412 119.963 120.400 -0.041 0.000 2.063 1147 K HA -0.187 4.149 4.320 0.027 0.000 0.208 1147 K C 2.274 178.868 176.600 -0.011 0.000 1.048 1147 K CA 1.618 57.937 56.287 0.053 0.000 0.928 1147 K CB -0.190 32.328 32.500 0.030 0.000 0.713 1147 K HN 0.464 nan 8.250 nan 0.000 0.442 1148 R N -0.010 120.441 120.500 -0.083 0.000 2.075 1148 R HA -0.074 4.282 4.340 0.027 0.000 0.232 1148 R C 2.300 178.597 176.300 -0.005 0.000 1.126 1148 R CA 1.328 57.304 56.100 -0.207 0.000 0.963 1148 R CB -0.200 29.758 30.300 -0.569 0.000 0.858 1148 R HN 0.073 nan 8.270 nan 0.000 0.435 1149 V N 1.230 121.235 119.914 0.152 0.000 2.358 1149 V HA -0.197 3.939 4.120 0.027 0.000 0.246 1149 V C 2.217 178.411 176.094 0.167 0.000 1.047 1149 V CA 1.547 63.972 62.300 0.209 0.000 1.035 1149 V CB -0.323 31.769 31.823 0.449 0.000 0.658 1149 V HN 0.262 nan 8.190 nan 0.000 0.452 1150 I N 0.125 120.853 120.570 0.264 0.000 2.252 1150 I HA -0.220 3.966 4.170 0.027 0.000 0.245 1150 I C 2.486 178.699 176.117 0.161 0.000 1.102 1150 I CA 1.772 63.251 61.300 0.298 0.000 1.385 1150 I CB -0.574 37.529 38.000 0.171 0.000 1.064 1150 I HN 0.301 nan 8.210 nan 0.000 0.414 1151 T N -0.139 114.447 114.554 0.054 0.000 2.915 1151 T HA -0.132 4.234 4.350 0.027 0.000 0.269 1151 T C 1.846 176.501 174.700 -0.075 0.000 1.071 1151 T CA 1.730 63.825 62.100 -0.008 0.000 1.132 1151 T CB -0.270 68.576 68.868 -0.037 0.000 0.878 1151 T HN 0.375 nan 8.240 nan 0.000 0.479 1152 T N 1.571 116.047 114.554 -0.131 0.000 2.812 1152 T HA 0.023 4.389 4.350 0.027 0.000 0.264 1152 T C 1.490 175.949 174.700 -0.401 0.000 1.042 1152 T CA 0.854 62.759 62.100 -0.325 0.000 1.140 1152 T CB -0.393 68.233 68.868 -0.404 0.000 0.870 1152 T HN 0.307 nan 8.240 nan 0.000 0.445 1153 F N 1.512 121.364 119.950 -0.165 0.000 2.234 1153 F HA 0.070 4.614 4.527 0.028 0.000 0.299 1153 F C 2.536 178.198 175.800 -0.229 0.000 1.087 1153 F CA 0.443 58.322 58.000 -0.201 0.000 1.340 1153 F CB -0.365 38.620 39.000 -0.025 0.000 1.031 1153 F HN -0.086 nan 8.300 nan 0.000 0.500 1154 R N 0.173 120.712 120.500 0.065 0.000 2.088 1154 R HA -0.149 4.207 4.340 0.027 0.000 0.232 1154 R C 2.346 178.597 176.300 -0.081 0.000 1.136 1154 R CA 2.382 58.512 56.100 0.049 0.000 0.926 1154 R CB -1.585 28.741 30.300 0.042 0.000 0.837 1154 R HN 0.400 nan 8.270 nan 0.000 0.429 1155 T N -3.981 110.483 114.554 -0.150 0.000 2.939 1155 T HA 0.144 4.510 4.350 0.027 0.000 0.254 1155 T C 1.443 175.959 174.700 -0.306 0.000 1.041 1155 T CA 1.069 63.064 62.100 -0.176 0.000 1.142 1155 T CB 0.161 68.953 68.868 -0.125 0.000 0.874 1155 T HN 0.463 nan 8.240 nan 0.000 0.452 1156 G N 1.477 110.033 108.800 -0.406 0.000 2.141 1156 G HA2 -0.168 3.808 3.960 0.027 0.000 0.231 1156 G HA3 -0.168 3.808 3.960 0.027 0.000 0.231 1156 G C 0.250 174.879 174.900 -0.451 0.000 0.984 1156 G CA 0.558 45.362 45.100 -0.494 0.000 0.660 1156 G HN 1.167 nan 8.290 nan 0.000 0.525 1157 T N -3.866 110.447 114.554 -0.403 0.000 2.841 1157 T HA 0.615 4.981 4.350 0.027 0.000 0.276 1157 T C 0.056 174.492 174.700 -0.440 0.000 1.003 1157 T CA -0.534 61.361 62.100 -0.341 0.000 0.995 1157 T CB 1.385 70.180 68.868 -0.122 0.000 1.260 1157 T HN 0.400 nan 8.240 nan 0.000 0.581 1158 W N 0.569 121.841 121.300 -0.045 0.000 2.817 1158 W HA 0.348 5.026 4.660 0.030 0.000 0.433 1158 W C 0.447 176.961 176.519 -0.008 0.000 0.838 1158 W CA -0.622 56.722 57.345 -0.002 0.000 2.356 1158 W CB -0.055 29.389 29.460 -0.027 0.000 1.216 1158 W HN 0.682 nan 8.180 nan 0.000 0.793 1159 D N 0.718 121.176 120.400 0.097 0.000 2.178 1159 D HA -0.166 4.490 4.640 0.027 0.000 0.201 1159 D C 2.202 178.511 176.300 0.015 0.000 0.980 1159 D CA 1.522 55.546 54.000 0.039 0.000 0.842 1159 D CB -0.336 40.464 40.800 0.000 0.000 0.948 1159 D HN 0.238 nan 8.370 nan 0.000 0.472 1160 A N -0.533 122.282 122.820 -0.008 0.000 1.968 1160 A HA -0.059 4.277 4.320 0.027 0.000 0.217 1160 A C 0.697 178.120 177.584 -0.269 0.000 1.169 1160 A CA 0.809 52.750 52.037 -0.161 0.000 0.638 1160 A CB -0.309 18.531 19.000 -0.266 0.000 0.812 1160 A HN 0.160 nan 8.150 nan 0.000 0.446 1161 Y N 0.000 120.330 120.300 0.050 0.000 2.660 1161 Y HA 0.000 4.568 4.550 0.030 0.000 0.201 1161 Y CA 0.000 58.104 58.100 0.007 0.000 1.940 1161 Y CB 0.000 38.503 38.460 0.072 0.000 1.050 1161 Y HN 0.000 nan 8.280 nan 0.000 0.758