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 1dzh_1_I DATA FIRST_RESID 4 DATA SEQUENCE PVDIcTAKPR DIPMNPMcIY RSPEKKXXXX XXXXXXIPEA TNRRVWELSK DATA SEQUENCE ANSRFATTFY QHLADSKNDN DNIFLSPLSI STAFAMTKLG AcNDTLQQLM DATA SEQUENCE EVFKFDTISE KTSDQIHFFF AKLNcRLYRK AQKSSKLVSA NRLFGDKSLT DATA SEQUENCE FNETYQDISE LVYGAKLQPL DFKENAEQSR AAINKWVSNK TEGRITDVIP DATA SEQUENCE SEAINELTVL VLVNTIYFKG LWKSKFSPEN TRKELFYKAD GEScSASMMY DATA SEQUENCE QEGKFRYRRV AEGTQVLELP FKGDDITMVL ILPKPEKSLA KVEKELTPEV DATA SEQUENCE LQEWLDELEE MMLVVHMPRF RIEDGFSLKE QLQDMGLVDL FSPEKSKLPG DATA SEQUENCE IVAEGRDDLY VSDAFHKAFL EVNEEGXEAA ASTAVVIAGR SLNPNRVTFK DATA SEQUENCE ANRPFLVFIR EVPLNTIIFM GRVANPcV 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 4 P HA 0.000 nan 4.420 nan 0.000 0.216 4 P C 0.000 177.309 177.300 0.015 0.000 1.155 4 P CA 0.000 63.107 63.100 0.012 0.000 0.800 4 P CB 0.000 31.707 31.700 0.012 0.000 0.726 5 V N -0.048 119.876 119.914 0.015 0.000 2.322 5 V HA 0.645 4.777 4.120 0.020 0.000 0.258 5 V C 0.138 176.246 176.094 0.023 0.000 1.074 5 V CA 0.426 62.738 62.300 0.020 0.000 0.909 5 V CB 0.133 31.967 31.823 0.018 0.000 1.090 5 V HN 0.764 nan 8.190 nan 0.000 0.486 6 D N 2.499 122.916 120.400 0.028 0.000 2.340 6 D HA 0.530 5.182 4.640 0.020 0.000 0.251 6 D C 1.248 177.570 176.300 0.037 0.000 1.080 6 D CA 0.178 54.196 54.000 0.029 0.000 0.971 6 D CB 1.416 42.234 40.800 0.029 0.000 1.137 6 D HN 1.170 nan 8.370 nan 0.000 0.475 7 I N -2.460 118.130 120.570 0.033 0.000 2.315 7 I HA -0.105 4.077 4.170 0.020 0.000 0.248 7 I C 2.175 178.315 176.117 0.038 0.000 1.117 7 I CA 1.175 62.495 61.300 0.034 0.000 1.404 7 I CB -0.439 37.573 38.000 0.020 0.000 1.071 7 I HN 0.457 nan 8.210 nan 0.000 0.419 8 c N 1.778 120.399 118.600 0.035 0.000 2.419 8 c HA -0.087 4.495 4.570 0.020 0.000 0.281 8 c C 2.918 177.035 174.090 0.046 0.000 1.336 8 c CA 1.607 57.954 56.329 0.031 0.000 1.770 8 c CB -1.587 40.938 42.510 0.026 0.000 1.929 8 c HN 0.747 nan 8.230 nan 0.000 0.509 9 T N -1.010 113.577 114.554 0.055 0.000 3.057 9 T HA 0.331 4.693 4.350 0.020 0.000 0.254 9 T C 0.856 175.617 174.700 0.102 0.000 1.094 9 T CA 0.643 62.783 62.100 0.067 0.000 1.088 9 T CB -0.228 68.670 68.868 0.049 0.000 0.934 9 T HN 0.461 nan 8.240 nan 0.000 0.497 10 A N 1.883 124.773 122.820 0.117 0.000 2.587 10 A HA 0.336 4.668 4.320 0.020 0.000 0.235 10 A C 0.244 177.994 177.584 0.276 0.000 1.044 10 A CA 0.188 52.320 52.037 0.158 0.000 0.754 10 A CB -0.099 18.995 19.000 0.156 0.000 0.968 10 A HN 0.605 nan 8.150 nan 0.000 0.509 11 K N 2.799 123.278 120.400 0.132 0.000 2.238 11 K HA 0.453 4.785 4.320 0.020 0.000 0.239 11 K C -2.024 174.404 176.600 -0.286 0.000 0.987 11 K CA -1.949 54.312 56.287 -0.043 0.000 0.857 11 K CB 1.155 33.618 32.500 -0.061 0.000 1.154 11 K HN 0.243 nan 8.250 nan 0.000 0.439 12 P HA -0.274 nan 4.420 nan 0.000 0.216 12 P C 0.761 177.918 177.300 -0.238 0.000 1.157 12 P CA 1.621 64.365 63.100 -0.594 0.000 0.880 12 P CB 0.061 31.393 31.700 -0.613 0.000 0.791 13 R N -0.483 119.915 120.500 -0.170 0.000 2.193 13 R HA -0.100 4.252 4.340 0.020 0.000 0.229 13 R C 1.001 177.267 176.300 -0.056 0.000 1.110 13 R CA 1.589 57.634 56.100 -0.092 0.000 0.988 13 R CB -1.115 29.142 30.300 -0.072 0.000 0.871 13 R HN 0.168 nan 8.270 nan 0.000 0.458 14 D N 1.038 121.411 120.400 -0.045 0.000 2.347 14 D HA 0.062 4.714 4.640 0.020 0.000 0.215 14 D C 0.434 176.738 176.300 0.006 0.000 0.976 14 D CA 0.688 54.683 54.000 -0.009 0.000 0.884 14 D CB 0.181 40.989 40.800 0.013 0.000 0.915 14 D HN 0.294 nan 8.370 nan 0.000 0.526 15 I N 3.035 123.608 120.570 0.005 0.000 2.310 15 I HA 0.090 4.273 4.170 0.020 0.000 0.287 15 I C -1.625 174.484 176.117 -0.012 0.000 1.073 15 I CA -1.489 59.821 61.300 0.017 0.000 1.216 15 I CB 1.871 39.910 38.000 0.066 0.000 1.415 15 I HN -0.253 nan 8.210 nan 0.000 0.480 16 P HA -0.010 nan 4.420 nan 0.000 0.253 16 P C 0.119 177.403 177.300 -0.028 0.000 1.260 16 P CA -0.028 63.058 63.100 -0.023 0.000 0.800 16 P CB -0.135 31.554 31.700 -0.017 0.000 1.162 17 M N -0.065 119.514 119.600 -0.036 0.000 2.628 17 M HA 0.221 4.713 4.480 0.020 0.000 0.326 17 M C -0.376 175.905 176.300 -0.032 0.000 1.613 17 M CA 0.919 56.190 55.300 -0.048 0.000 1.387 17 M CB -0.919 31.626 32.600 -0.092 0.000 1.761 17 M HN -0.247 nan 8.290 nan 0.000 0.459 18 N N 3.752 122.436 118.700 -0.027 0.000 2.711 18 N HA 0.319 5.071 4.740 0.020 0.000 0.263 18 N C -2.658 172.841 175.510 -0.019 0.000 1.667 18 N CA -0.672 52.367 53.050 -0.019 0.000 0.785 18 N CB 0.419 38.894 38.487 -0.019 0.000 1.231 18 N HN 0.463 nan 8.380 nan 0.000 0.503 19 P HA 0.251 nan 4.420 nan 0.000 0.342 19 P C 1.261 178.553 177.300 -0.013 0.000 1.369 19 P CA -0.185 62.902 63.100 -0.022 0.000 0.800 19 P CB 0.394 32.074 31.700 -0.034 0.000 1.884 20 M N -1.770 117.823 119.600 -0.013 0.000 2.476 20 M HA 0.136 4.628 4.480 0.020 0.000 0.262 20 M C 1.418 177.719 176.300 0.002 0.000 1.111 20 M CA 0.822 56.119 55.300 -0.005 0.000 1.127 20 M CB -1.655 30.941 32.600 -0.007 0.000 1.376 20 M HN 0.282 nan 8.290 nan 0.000 0.465 21 c N 2.423 121.021 118.600 -0.003 0.000 2.551 21 c HA 0.665 5.247 4.570 0.020 0.000 0.369 21 c C 0.291 174.397 174.090 0.027 0.000 1.154 21 c CA -0.697 55.636 56.329 0.007 0.000 1.456 21 c CB -2.770 39.728 42.510 -0.020 0.000 2.037 21 c HN 0.645 nan 8.230 nan 0.000 0.547 22 I N 2.173 122.776 120.570 0.054 0.000 2.752 22 I HA 0.396 4.578 4.170 0.020 0.000 0.295 22 I C -0.859 175.341 176.117 0.139 0.000 1.219 22 I CA -0.602 60.745 61.300 0.078 0.000 1.030 22 I CB 2.043 40.067 38.000 0.040 0.000 1.259 22 I HN 0.559 nan 8.210 nan 0.000 0.423 23 Y N 5.510 125.822 120.300 0.021 0.000 2.562 23 Y HA 0.703 5.265 4.550 0.020 0.000 0.343 23 Y C -0.929 174.990 175.900 0.030 0.000 1.025 23 Y CA -0.898 57.218 58.100 0.028 0.000 1.082 23 Y CB 1.701 40.185 38.460 0.039 0.000 1.264 23 Y HN 0.413 nan 8.280 nan 0.000 0.478 24 R N 3.200 123.287 120.500 -0.690 0.000 2.472 24 R HA 0.318 4.670 4.340 0.020 0.000 0.294 24 R C -0.933 175.009 176.300 -0.596 0.000 1.243 24 R CA -0.514 55.328 56.100 -0.431 0.000 1.023 24 R CB 1.155 31.293 30.300 -0.271 0.000 1.157 24 R HN 0.847 nan 8.270 nan 0.000 0.530 25 S N 2.720 118.280 115.700 -0.234 0.000 2.573 25 S HA 0.255 4.737 4.470 0.020 0.000 0.277 25 S C -1.877 172.697 174.600 -0.043 0.000 1.346 25 S CA -1.055 57.136 58.200 -0.015 0.000 1.034 25 S CB 0.530 63.849 63.200 0.198 0.000 0.879 25 S HN 0.231 nan 8.310 nan 0.000 0.528 26 P HA 0.282 nan 4.420 nan 0.000 0.278 26 P C 0.012 177.325 177.300 0.021 0.000 1.270 26 P CA 0.124 63.226 63.100 0.004 0.000 0.800 26 P CB -0.085 31.634 31.700 0.031 0.000 1.142 27 E N -1.321 118.890 120.200 0.019 0.000 2.191 27 E HA 0.552 4.914 4.350 0.020 0.000 0.278 27 E C 0.124 176.742 176.600 0.030 0.000 0.972 27 E CA -0.862 55.553 56.400 0.026 0.000 0.804 27 E CB -0.104 29.607 29.700 0.018 0.000 1.110 27 E HN 0.581 nan 8.360 nan 0.000 0.394 28 K N 0.090 120.511 120.400 0.036 0.000 2.258 28 K HA 0.726 5.058 4.320 0.020 0.000 0.264 28 K C 0.425 177.042 176.600 0.028 0.000 1.007 28 K CA 0.333 56.641 56.287 0.034 0.000 0.941 28 K CB 0.290 nan 32.500 nan 0.000 0.966 28 K HN 1.407 nan 8.250 nan 0.000 0.480 41 P HA 0.697 nan 4.420 nan 0.000 0.286 41 P C -0.040 177.147 177.300 -0.189 0.000 1.293 41 P CA 0.561 63.521 63.100 -0.233 0.000 0.770 41 P CB 0.354 31.951 31.700 -0.172 0.000 1.206 42 E N -1.142 118.984 120.200 -0.123 0.000 2.200 42 E HA 0.508 4.870 4.350 0.020 0.000 0.283 42 E C 0.587 177.139 176.600 -0.080 0.000 1.015 42 E CA -0.212 56.131 56.400 -0.095 0.000 0.819 42 E CB 0.359 30.018 29.700 -0.069 0.000 1.081 42 E HN 0.871 nan 8.360 nan 0.000 0.397 43 A N 2.317 125.090 122.820 -0.078 0.000 3.080 43 A HA -0.117 4.215 4.320 0.020 0.000 0.254 43 A C 0.867 178.413 177.584 -0.064 0.000 1.277 43 A CA 1.110 53.111 52.037 -0.060 0.000 1.065 43 A CB -2.288 16.687 19.000 -0.043 0.000 1.160 43 A HN 1.178 nan 8.150 nan 0.000 0.886 44 T N 1.410 115.909 114.554 -0.091 0.000 2.758 44 T HA 0.411 4.773 4.350 0.020 0.000 0.285 44 T C 0.056 174.704 174.700 -0.086 0.000 0.981 44 T CA -0.485 61.565 62.100 -0.084 0.000 0.965 44 T CB 1.010 69.816 68.868 -0.104 0.000 0.927 44 T HN 0.441 nan 8.240 nan 0.000 0.448 45 N N 2.163 120.828 118.700 -0.058 0.000 2.411 45 N HA 0.004 4.757 4.740 0.020 0.000 0.265 45 N C 1.640 177.120 175.510 -0.049 0.000 1.266 45 N CA 0.153 53.164 53.050 -0.064 0.000 0.889 45 N CB 0.732 39.170 38.487 -0.081 0.000 1.069 45 N HN 0.769 nan 8.380 nan 0.000 0.476 46 R N 3.558 124.022 120.500 -0.060 0.000 2.094 46 R HA -0.209 4.143 4.340 0.020 0.000 0.239 46 R C 2.439 178.697 176.300 -0.070 0.000 1.137 46 R CA 2.200 58.288 56.100 -0.021 0.000 0.943 46 R CB -1.277 28.999 30.300 -0.039 0.000 0.850 46 R HN 0.630 nan 8.270 nan 0.000 0.433 47 R N -0.322 120.035 120.500 -0.239 0.000 2.136 47 R HA -0.158 4.194 4.340 0.020 0.000 0.242 47 R C 2.733 178.723 176.300 -0.517 0.000 1.131 47 R CA 1.834 57.581 56.100 -0.588 0.000 0.937 47 R CB -1.612 28.330 30.300 -0.597 0.000 0.863 47 R HN 0.582 nan 8.270 nan 0.000 0.435 48 V N -1.547 118.199 119.914 -0.281 0.000 2.490 48 V HA -0.188 3.944 4.120 0.020 0.000 0.250 48 V C 1.949 177.990 176.094 -0.088 0.000 1.061 48 V CA 1.715 63.900 62.300 -0.191 0.000 1.064 48 V CB -0.735 31.008 31.823 -0.133 0.000 0.670 48 V HN 0.615 nan 8.190 nan 0.000 0.461 49 W N 1.321 122.503 121.300 -0.198 0.000 2.388 49 W HA -0.099 4.573 4.660 0.020 0.000 0.294 49 W C 2.340 178.781 176.519 -0.130 0.000 1.212 49 W CA 1.716 58.976 57.345 -0.141 0.000 1.271 49 W CB -0.024 29.365 29.460 -0.118 0.000 1.126 49 W HN 0.279 nan 8.180 nan 0.000 0.535 50 E N -0.258 119.857 120.200 -0.140 0.000 2.072 50 E HA -0.248 4.114 4.350 0.020 0.000 0.191 50 E C 2.031 178.508 176.600 -0.206 0.000 0.985 50 E CA 1.422 57.680 56.400 -0.236 0.000 0.801 50 E CB -0.691 28.915 29.700 -0.157 0.000 0.750 50 E HN 0.180 nan 8.360 nan 0.000 0.452 51 L N 1.397 122.505 121.223 -0.192 0.000 2.012 51 L HA -0.214 4.138 4.340 0.020 0.000 0.210 51 L C 2.417 179.203 176.870 -0.140 0.000 1.073 51 L CA 2.343 57.103 54.840 -0.133 0.000 0.748 51 L CB -0.888 41.024 42.059 -0.244 0.000 0.891 51 L HN 0.110 nan 8.230 nan 0.000 0.431 52 S N -0.297 115.284 115.700 -0.197 0.000 2.365 52 S HA -0.279 4.203 4.470 0.020 0.000 0.225 52 S C 2.290 176.767 174.600 -0.205 0.000 1.039 52 S CA 2.096 60.189 58.200 -0.179 0.000 1.033 52 S CB -1.107 61.988 63.200 -0.175 0.000 0.887 52 S HN 0.570 nan 8.310 nan 0.000 0.447 53 K N 1.675 121.864 120.400 -0.351 0.000 2.044 53 K HA 0.148 4.480 4.320 0.020 0.000 0.210 53 K C 2.591 179.101 176.600 -0.149 0.000 1.049 53 K CA 2.049 58.130 56.287 -0.343 0.000 0.927 53 K CB -1.798 nan 32.500 nan 0.000 0.713 53 K HN 0.844 nan 8.250 nan 0.000 0.443 54 A N 1.817 124.597 122.820 -0.068 0.000 1.877 54 A HA -0.227 4.105 4.320 0.020 0.000 0.216 54 A C 2.232 179.873 177.584 0.095 0.000 1.186 54 A CA 1.849 53.915 52.037 0.049 0.000 0.620 54 A CB -0.528 18.576 19.000 0.173 0.000 0.822 54 A HN 0.635 nan 8.150 nan 0.000 0.443 55 N N 0.420 119.189 118.700 0.115 0.000 2.205 55 N HA -0.096 4.657 4.740 0.020 0.000 0.186 55 N C 1.798 177.382 175.510 0.123 0.000 1.015 55 N CA 1.606 54.757 53.050 0.168 0.000 0.862 55 N CB -0.427 38.157 38.487 0.162 0.000 0.986 55 N HN 0.455 nan 8.380 nan 0.000 0.429 56 S N 0.352 116.073 115.700 0.034 0.000 2.436 56 S HA 0.085 4.567 4.470 0.020 0.000 0.228 56 S C 1.855 176.467 174.600 0.019 0.000 1.014 56 S CA 0.323 58.528 58.200 0.008 0.000 0.950 56 S CB 0.236 63.405 63.200 -0.052 0.000 0.784 56 S HN 0.304 nan 8.310 nan 0.000 0.504 57 R N 0.198 120.716 120.500 0.031 0.000 2.075 57 R HA -0.004 4.348 4.340 0.020 0.000 0.232 57 R C 1.997 178.360 176.300 0.106 0.000 1.126 57 R CA 1.297 57.423 56.100 0.044 0.000 0.963 57 R CB -0.365 29.955 30.300 0.033 0.000 0.858 57 R HN 0.388 nan 8.270 nan 0.000 0.435 58 F N 1.430 121.376 119.950 -0.007 0.000 2.051 58 F HA -0.152 4.387 4.527 0.021 0.000 0.296 58 F C 2.173 178.018 175.800 0.075 0.000 1.122 58 F CA 1.290 59.293 58.000 0.005 0.000 1.201 58 F CB -0.903 38.099 39.000 0.004 0.000 0.978 58 F HN 0.006 nan 8.300 nan 0.000 0.472 59 A N -0.012 122.704 122.820 -0.172 0.000 1.869 59 A HA -0.289 4.043 4.320 0.020 0.000 0.218 59 A C 2.238 179.794 177.584 -0.046 0.000 1.203 59 A CA 3.068 54.987 52.037 -0.197 0.000 0.638 59 A CB -1.603 17.378 19.000 -0.030 0.000 0.831 59 A HN 0.507 nan 8.150 nan 0.000 0.450 60 T N -0.358 114.214 114.554 0.029 0.000 2.622 60 T HA -0.156 4.206 4.350 0.020 0.000 0.266 60 T C 2.037 176.797 174.700 0.100 0.000 1.047 60 T CA 2.053 64.210 62.100 0.096 0.000 1.159 60 T CB -0.870 68.035 68.868 0.062 0.000 0.863 60 T HN 0.577 nan 8.240 nan 0.000 0.422 61 T N 1.763 116.345 114.554 0.047 0.000 2.607 61 T HA -0.122 4.240 4.350 0.020 0.000 0.267 61 T C 1.565 176.286 174.700 0.034 0.000 1.049 61 T CA 1.528 63.656 62.100 0.047 0.000 1.162 61 T CB -0.692 68.212 68.868 0.060 0.000 0.863 61 T HN 0.339 nan 8.240 nan 0.000 0.424 62 F N 0.488 120.289 119.950 -0.248 0.000 2.126 62 F HA -0.161 4.377 4.527 0.019 0.000 0.299 62 F C 2.203 177.937 175.800 -0.111 0.000 1.096 62 F CA 1.226 59.049 58.000 -0.294 0.000 1.255 62 F CB -0.474 38.039 39.000 -0.812 0.000 0.997 62 F HN 0.181 nan 8.300 nan 0.000 0.479 63 Y N 1.325 121.639 120.300 0.023 0.000 2.097 63 Y HA -0.304 4.258 4.550 0.020 0.000 0.282 63 Y C 2.511 178.398 175.900 -0.022 0.000 1.152 63 Y CA 2.337 60.446 58.100 0.015 0.000 1.136 63 Y CB -0.828 37.646 38.460 0.023 0.000 0.975 63 Y HN 0.214 nan 8.280 nan 0.000 0.498 64 Q N -1.184 118.611 119.800 -0.009 0.000 2.061 64 Q HA -0.290 4.062 4.340 0.020 0.000 0.204 64 Q C 2.229 178.123 176.000 -0.177 0.000 0.984 64 Q CA 1.645 57.397 55.803 -0.085 0.000 0.846 64 Q CB -0.668 28.085 28.738 0.026 0.000 0.902 64 Q HN 0.623 nan 8.270 nan 0.000 0.421 65 H N 1.013 119.951 119.070 -0.221 0.000 2.251 65 H HA -0.188 4.379 4.556 0.020 0.000 0.294 65 H C 2.274 177.419 175.328 -0.305 0.000 1.078 65 H CA 1.959 57.856 56.048 -0.252 0.000 1.246 65 H CB -0.220 29.358 29.762 -0.306 0.000 1.358 65 H HN 0.191 nan 8.280 nan 0.000 0.488 66 L N 1.036 122.103 121.223 -0.260 0.000 1.978 66 L HA -0.238 4.114 4.340 0.020 0.000 0.218 66 L C 2.800 179.507 176.870 -0.271 0.000 1.075 66 L CA 2.493 57.182 54.840 -0.252 0.000 0.767 66 L CB -1.330 40.586 42.059 -0.238 0.000 0.890 66 L HN 0.386 nan 8.230 nan 0.000 0.434 67 A N -0.672 121.882 122.820 -0.444 0.000 1.863 67 A HA -0.372 3.960 4.320 0.020 0.000 0.218 67 A C 2.107 179.553 177.584 -0.231 0.000 1.233 67 A CA 2.425 54.229 52.037 -0.389 0.000 0.655 67 A CB -1.398 17.308 19.000 -0.490 0.000 0.839 67 A HN 0.607 nan 8.150 nan 0.000 0.454 68 D N -0.720 119.539 120.400 -0.234 0.000 2.170 68 D HA -0.178 4.474 4.640 0.020 0.000 0.193 68 D C 2.284 178.474 176.300 -0.184 0.000 1.004 68 D CA 1.828 55.706 54.000 -0.205 0.000 0.860 68 D CB -0.409 40.245 40.800 -0.243 0.000 0.931 68 D HN 0.511 nan 8.370 nan 0.000 0.448 69 S N -0.613 114.969 115.700 -0.197 0.000 2.419 69 S HA -0.125 4.357 4.470 0.020 0.000 0.235 69 S C 0.895 175.446 174.600 -0.083 0.000 1.019 69 S CA 0.876 58.999 58.200 -0.127 0.000 0.982 69 S CB 0.184 63.326 63.200 -0.096 0.000 0.789 69 S HN 0.092 nan 8.310 nan 0.000 0.490 70 K N 1.157 121.506 120.400 -0.085 0.000 2.166 70 K HA 0.331 4.663 4.320 0.020 0.000 0.245 70 K C -0.657 175.914 176.600 -0.049 0.000 0.967 70 K CA -0.728 55.526 56.287 -0.056 0.000 0.863 70 K CB 0.989 33.460 32.500 -0.048 0.000 1.107 70 K HN 0.280 nan 8.250 nan 0.000 0.436 71 N N 0.881 119.562 118.700 -0.031 0.000 2.520 71 N HA -0.042 4.710 4.740 0.020 0.000 0.273 71 N C 0.185 175.687 175.510 -0.014 0.000 1.155 71 N CA 0.222 53.259 53.050 -0.021 0.000 0.967 71 N CB 0.811 39.289 38.487 -0.014 0.000 1.092 71 N HN 0.405 nan 8.380 nan 0.000 0.457 72 D N 1.425 121.821 120.400 -0.007 0.000 2.157 72 D HA -0.245 4.407 4.640 0.020 0.000 0.191 72 D C 0.466 176.776 176.300 0.016 0.000 1.004 72 D CA 1.481 55.485 54.000 0.007 0.000 0.854 72 D CB -0.231 40.577 40.800 0.013 0.000 0.936 72 D HN 0.656 nan 8.370 nan 0.000 0.446 73 N N 1.357 120.067 118.700 0.018 0.000 2.485 73 N HA -0.045 4.707 4.740 0.020 0.000 0.199 73 N C -0.438 175.073 175.510 0.002 0.000 1.236 73 N CA 0.455 53.518 53.050 0.023 0.000 0.852 73 N CB 0.210 38.714 38.487 0.028 0.000 1.018 73 N HN 0.247 nan 8.380 nan 0.000 0.457 74 D N 1.071 121.469 120.400 -0.004 0.000 2.163 74 D HA 0.229 4.881 4.640 0.020 0.000 0.248 74 D C -0.060 176.234 176.300 -0.010 0.000 1.035 74 D CA -0.315 53.679 54.000 -0.010 0.000 0.872 74 D CB 1.030 41.826 40.800 -0.007 0.000 1.183 74 D HN -0.075 nan 8.370 nan 0.000 0.445 75 N N 1.450 120.139 118.700 -0.018 0.000 2.499 75 N HA 0.335 5.087 4.740 0.020 0.000 0.281 75 N C -0.075 175.479 175.510 0.073 0.000 1.098 75 N CA -0.114 52.927 53.050 -0.015 0.000 0.979 75 N CB 1.424 39.876 38.487 -0.058 0.000 1.121 75 N HN 0.337 nan 8.380 nan 0.000 0.466 76 I N 1.151 121.809 120.570 0.147 0.000 2.648 76 I HA 0.502 4.684 4.170 0.020 0.000 0.304 76 I C -0.866 175.511 176.117 0.433 0.000 1.009 76 I CA -0.821 60.649 61.300 0.283 0.000 1.114 76 I CB 1.469 39.670 38.000 0.335 0.000 1.293 76 I HN 0.322 nan 8.210 nan 0.000 0.449 77 F N 7.023 127.166 119.950 0.322 0.000 3.127 77 F HA 0.464 5.006 4.527 0.025 0.000 0.356 77 F C -1.652 174.431 175.800 0.472 0.000 1.208 77 F CA -0.600 57.588 58.000 0.313 0.000 1.250 77 F CB 0.897 40.016 39.000 0.198 0.000 1.581 77 F HN 0.255 nan 8.300 nan 0.000 0.691 78 L N 2.113 123.288 121.223 -0.080 0.000 2.409 78 L HA 0.841 5.193 4.340 0.020 0.000 0.255 78 L C -1.134 175.701 176.870 -0.058 0.000 1.027 78 L CA -0.978 53.918 54.840 0.092 0.000 0.834 78 L CB 2.094 44.122 42.059 -0.051 0.000 1.426 78 L HN 0.361 nan 8.230 nan 0.000 0.411 79 S N 1.050 116.814 115.700 0.106 0.000 2.434 79 S HA 0.515 4.997 4.470 0.020 0.000 0.318 79 S C -1.785 172.634 174.600 -0.301 0.000 1.062 79 S CA -1.450 56.610 58.200 -0.235 0.000 1.116 79 S CB 0.741 63.739 63.200 -0.336 0.000 0.977 79 S HN 0.647 nan 8.310 nan 0.000 0.480 80 P HA -0.111 nan 4.420 nan 0.000 0.215 80 P C 1.705 178.961 177.300 -0.072 0.000 1.157 80 P CA 0.462 63.441 63.100 -0.202 0.000 0.868 80 P CB -0.006 31.596 31.700 -0.163 0.000 0.788 81 L N -0.094 121.089 121.223 -0.066 0.000 1.991 81 L HA -0.258 4.094 4.340 0.020 0.000 0.221 81 L C 2.489 179.365 176.870 0.010 0.000 1.079 81 L CA 2.425 57.276 54.840 0.017 0.000 0.778 81 L CB -1.666 40.382 42.059 -0.017 0.000 0.893 81 L HN -0.053 nan 8.230 nan 0.000 0.437 82 S N -0.602 115.042 115.700 -0.094 0.000 2.414 82 S HA -0.310 4.172 4.470 0.020 0.000 0.238 82 S C 1.937 176.461 174.600 -0.126 0.000 1.055 82 S CA 2.372 60.515 58.200 -0.096 0.000 1.174 82 S CB -0.648 62.459 63.200 -0.155 0.000 1.087 82 S HN 0.476 nan 8.310 nan 0.000 0.428 83 I N 1.037 121.479 120.570 -0.214 0.000 2.053 83 I HA -0.288 3.894 4.170 0.020 0.000 0.236 83 I C 2.652 178.729 176.117 -0.066 0.000 1.038 83 I CA 1.872 63.121 61.300 -0.084 0.000 1.304 83 I CB -0.852 37.109 38.000 -0.066 0.000 1.023 83 I HN 0.327 nan 8.210 nan 0.000 0.395 84 S N 0.376 116.042 115.700 -0.057 0.000 2.368 84 S HA -0.271 4.211 4.470 0.020 0.000 0.226 84 S C 1.994 176.463 174.600 -0.219 0.000 1.044 84 S CA 2.301 60.361 58.200 -0.234 0.000 1.062 84 S CB -0.991 62.296 63.200 0.145 0.000 0.931 84 S HN 0.531 nan 8.310 nan 0.000 0.440 85 T N 2.770 117.266 114.554 -0.097 0.000 2.592 85 T HA -0.256 4.106 4.350 0.020 0.000 0.267 85 T C 2.114 176.551 174.700 -0.439 0.000 1.060 85 T CA 1.694 63.627 62.100 -0.278 0.000 1.167 85 T CB -0.920 67.959 68.868 0.018 0.000 0.863 85 T HN 0.551 nan 8.240 nan 0.000 0.431 86 A N 0.943 123.561 122.820 -0.337 0.000 1.851 86 A HA -0.032 4.300 4.320 0.020 0.000 0.216 86 A C 2.085 179.313 177.584 -0.593 0.000 1.195 86 A CA 1.692 53.464 52.037 -0.441 0.000 0.622 86 A CB -1.160 17.607 19.000 -0.388 0.000 0.831 86 A HN 0.459 nan 8.150 nan 0.000 0.444 87 F N 0.220 119.885 119.950 -0.475 0.000 2.134 87 F HA -0.105 4.434 4.527 0.020 0.000 0.299 87 F C 2.847 178.375 175.800 -0.454 0.000 1.097 87 F CA 1.039 58.740 58.000 -0.497 0.000 1.264 87 F CB -0.688 37.838 39.000 -0.790 0.000 1.001 87 F HN 0.273 nan 8.300 nan 0.000 0.479 88 A N 0.427 123.021 122.820 -0.376 0.000 1.869 88 A HA -0.325 4.007 4.320 0.020 0.000 0.218 88 A C 2.335 179.657 177.584 -0.436 0.000 1.203 88 A CA 2.240 54.045 52.037 -0.386 0.000 0.638 88 A CB -1.017 17.517 19.000 -0.776 0.000 0.831 88 A HN 0.411 nan 8.150 nan 0.000 0.450 89 M N -0.446 118.567 119.600 -0.978 0.000 2.108 89 M HA -0.167 4.325 4.480 0.020 0.000 0.261 89 M C 2.055 178.153 176.300 -0.336 0.000 1.066 89 M CA 2.606 57.333 55.300 -0.955 0.000 1.107 89 M CB -1.195 30.699 32.600 -1.177 0.000 1.356 89 M HN 0.493 nan 8.290 nan 0.000 0.406 90 T N 1.073 115.455 114.554 -0.286 0.000 2.684 90 T HA -0.212 4.150 4.350 0.020 0.000 0.267 90 T C 1.755 176.489 174.700 0.056 0.000 1.036 90 T CA 1.965 64.018 62.100 -0.078 0.000 1.148 90 T CB -0.465 68.302 68.868 -0.169 0.000 0.863 90 T HN 0.467 nan 8.240 nan 0.000 0.436 91 K N 1.245 121.662 120.400 0.029 0.000 2.228 91 K HA -0.137 4.195 4.320 0.020 0.000 0.205 91 K C 2.210 178.836 176.600 0.044 0.000 1.045 91 K CA 1.077 57.405 56.287 0.069 0.000 0.931 91 K CB -0.563 32.009 32.500 0.120 0.000 0.727 91 K HN 0.369 nan 8.250 nan 0.000 0.458 92 L N 0.197 121.434 121.223 0.022 0.000 2.064 92 L HA -0.218 4.134 4.340 0.020 0.000 0.216 92 L C 2.348 179.017 176.870 -0.335 0.000 1.077 92 L CA 1.821 56.577 54.840 -0.141 0.000 0.766 92 L CB -0.629 41.440 42.059 0.018 0.000 0.890 92 L HN 0.482 nan 8.230 nan 0.000 0.435 93 G N -1.594 106.832 108.800 -0.623 0.000 3.088 93 G HA2 0.347 4.319 3.960 0.020 0.000 0.217 93 G HA3 0.347 4.319 3.960 0.020 0.000 0.217 93 G C 0.638 175.343 174.900 -0.325 0.000 1.159 93 G CA 0.395 45.021 45.100 -0.791 0.000 0.760 93 G HN 0.395 nan 8.290 nan 0.000 0.550 94 A N -0.947 121.772 122.820 -0.169 0.000 2.292 94 A HA 0.667 4.999 4.320 0.020 0.000 0.265 94 A C -0.097 177.447 177.584 -0.067 0.000 1.133 94 A CA 0.014 52.002 52.037 -0.082 0.000 0.807 94 A CB 0.499 19.481 19.000 -0.030 0.000 1.102 94 A HN 0.699 nan 8.150 nan 0.000 0.502 95 c N -1.278 117.299 118.600 -0.038 0.000 3.253 95 c HA 0.472 5.054 4.570 0.020 0.000 0.342 95 c C 0.437 174.523 174.090 -0.007 0.000 1.306 95 c CA -0.124 56.193 56.329 -0.021 0.000 1.207 95 c CB -0.100 42.391 42.510 -0.032 0.000 1.479 95 c HN 1.220 nan 8.230 nan 0.000 0.469 96 N N 1.516 120.223 118.700 0.011 0.000 1.127 96 N HA -0.247 4.505 4.740 0.020 0.000 0.124 96 N C 0.469 175.988 175.510 0.015 0.000 0.690 96 N CA 2.237 55.299 53.050 0.021 0.000 0.874 96 N CB -0.922 37.572 38.487 0.012 0.000 1.192 96 N HN 0.931 nan 8.380 nan 0.000 0.573 97 D N -0.322 120.081 120.400 0.004 0.000 2.178 97 D HA 0.000 4.653 4.640 0.020 0.000 0.202 97 D C 1.643 177.922 176.300 -0.035 0.000 0.974 97 D CA 1.767 55.762 54.000 -0.010 0.000 0.841 97 D CB -0.165 40.631 40.800 -0.006 0.000 0.953 97 D HN 0.455 nan 8.370 nan 0.000 0.478 98 T N 0.848 115.382 114.554 -0.033 0.000 2.580 98 T HA -0.211 4.151 4.350 0.020 0.000 0.265 98 T C 1.838 176.505 174.700 -0.055 0.000 1.063 98 T CA 0.988 63.060 62.100 -0.046 0.000 1.170 98 T CB -0.516 68.332 68.868 -0.034 0.000 0.863 98 T HN 0.076 nan 8.240 nan 0.000 0.418 99 L N 1.345 122.544 121.223 -0.041 0.000 1.997 99 L HA -0.205 4.147 4.340 0.020 0.000 0.216 99 L C 2.601 179.394 176.870 -0.127 0.000 1.074 99 L CA 2.292 57.106 54.840 -0.043 0.000 0.763 99 L CB -1.012 41.043 42.059 -0.007 0.000 0.890 99 L HN 0.371 nan 8.230 nan 0.000 0.434 100 Q N -1.028 118.663 119.800 -0.181 0.000 2.061 100 Q HA -0.309 4.043 4.340 0.020 0.000 0.204 100 Q C 2.325 178.131 176.000 -0.324 0.000 0.984 100 Q CA 2.252 57.806 55.803 -0.414 0.000 0.846 100 Q CB -0.269 28.332 28.738 -0.229 0.000 0.902 100 Q HN 0.727 nan 8.270 nan 0.000 0.421 101 Q N 0.098 119.790 119.800 -0.181 0.000 2.045 101 Q HA -0.200 4.153 4.340 0.020 0.000 0.206 101 Q C 2.237 178.137 176.000 -0.167 0.000 0.991 101 Q CA 2.006 57.712 55.803 -0.161 0.000 0.851 101 Q CB -0.169 28.492 28.738 -0.128 0.000 0.911 101 Q HN 0.439 nan 8.270 nan 0.000 0.418 102 L N -0.227 120.943 121.223 -0.089 0.000 1.971 102 L HA -0.293 4.059 4.340 0.020 0.000 0.215 102 L C 2.519 179.440 176.870 0.085 0.000 1.072 102 L CA 1.220 56.098 54.840 0.063 0.000 0.758 102 L CB -0.501 41.644 42.059 0.143 0.000 0.889 102 L HN 0.395 nan 8.230 nan 0.000 0.433 103 M N -0.814 118.793 119.600 0.012 0.000 2.144 103 M HA -0.230 4.262 4.480 0.020 0.000 0.260 103 M C 2.052 178.317 176.300 -0.059 0.000 1.067 103 M CA 1.834 57.158 55.300 0.040 0.000 1.095 103 M CB -0.941 31.572 32.600 -0.144 0.000 1.365 103 M HN 0.377 nan 8.290 nan 0.000 0.406 104 E N -0.471 119.632 120.200 -0.162 0.000 2.140 104 E HA -0.037 4.325 4.350 0.020 0.000 0.191 104 E C 2.208 178.678 176.600 -0.216 0.000 0.973 104 E CA 0.482 56.799 56.400 -0.137 0.000 0.829 104 E CB 0.048 29.676 29.700 -0.119 0.000 0.781 104 E HN 0.206 nan 8.360 nan 0.000 0.466 105 V N 0.958 120.659 119.914 -0.355 0.000 2.237 105 V HA -0.227 3.905 4.120 0.020 0.000 0.245 105 V C 1.488 177.121 176.094 -0.769 0.000 1.046 105 V CA 1.643 63.585 62.300 -0.597 0.000 1.007 105 V CB -0.387 30.873 31.823 -0.937 0.000 0.638 105 V HN 0.210 nan 8.190 nan 0.000 0.445 106 F N 0.770 120.348 119.950 -0.621 0.000 2.725 106 F HA 0.210 4.749 4.527 0.020 0.000 0.303 106 F C 1.328 176.689 175.800 -0.731 0.000 1.167 106 F CA -0.283 57.134 58.000 -0.971 0.000 1.403 106 F CB -0.963 37.159 39.000 -1.464 0.000 1.077 106 F HN 0.131 nan 8.300 nan 0.000 0.537 107 K N -1.117 119.138 120.400 -0.241 0.000 2.948 107 K HA -0.272 4.060 4.320 0.020 0.000 0.253 107 K C 0.602 177.239 176.600 0.062 0.000 0.970 107 K CA 0.556 56.806 56.287 -0.062 0.000 0.716 107 K CB -2.312 30.193 32.500 0.008 0.000 1.249 107 K HN 0.289 nan 8.250 nan 0.000 0.483 108 F N 1.434 121.444 119.950 0.100 0.000 2.407 108 F HA -0.078 4.461 4.527 0.020 0.000 0.299 108 F C 2.152 178.025 175.800 0.123 0.000 1.097 108 F CA 1.313 59.381 58.000 0.114 0.000 1.422 108 F CB -0.300 38.768 39.000 0.114 0.000 1.067 108 F HN 0.218 nan 8.300 nan 0.000 0.539 109 D N -0.814 119.760 120.400 0.290 0.000 2.363 109 D HA -0.086 4.566 4.640 0.020 0.000 0.226 109 D C 1.544 177.952 176.300 0.180 0.000 1.020 109 D CA 1.121 55.277 54.000 0.260 0.000 0.892 109 D CB -1.171 39.796 40.800 0.279 0.000 0.900 109 D HN 0.342 nan 8.370 nan 0.000 0.531 110 T N -1.739 112.904 114.554 0.147 0.000 3.081 110 T HA 0.134 4.496 4.350 0.020 0.000 0.255 110 T C 1.264 176.018 174.700 0.090 0.000 1.113 110 T CA -0.311 61.847 62.100 0.096 0.000 1.082 110 T CB -0.471 68.434 68.868 0.061 0.000 0.939 110 T HN 0.137 nan 8.240 nan 0.000 0.506 111 I N 3.339 123.987 120.570 0.129 0.000 2.293 111 I HA 0.165 4.347 4.170 0.020 0.000 0.299 111 I C 0.765 176.960 176.117 0.130 0.000 1.153 111 I CA -0.474 60.899 61.300 0.123 0.000 1.302 111 I CB -0.128 37.984 38.000 0.187 0.000 1.460 111 I HN 0.131 nan 8.210 nan 0.000 0.552 112 S N 5.818 121.574 115.700 0.093 0.000 2.702 112 S HA -0.124 4.358 4.470 0.020 0.000 0.314 112 S C 1.095 175.747 174.600 0.088 0.000 1.244 112 S CA 0.703 58.951 58.200 0.081 0.000 1.058 112 S CB -0.044 63.192 63.200 0.060 0.000 0.783 112 S HN 0.843 nan 8.310 nan 0.000 0.503 113 E N 0.231 120.474 120.200 0.072 0.000 3.801 113 E HA -0.171 4.191 4.350 0.020 0.000 0.319 113 E C -0.616 176.030 176.600 0.077 0.000 0.784 113 E CA 0.901 57.336 56.400 0.057 0.000 1.183 113 E CB -0.485 29.247 29.700 0.053 0.000 1.601 113 E HN 0.579 nan 8.360 nan 0.000 0.441 114 K N 0.741 121.211 120.400 0.117 0.000 2.098 114 K HA 0.380 4.712 4.320 0.020 0.000 0.258 114 K C 0.268 176.923 176.600 0.092 0.000 0.973 114 K CA -0.194 56.175 56.287 0.136 0.000 0.898 114 K CB 1.338 33.983 32.500 0.242 0.000 1.057 114 K HN -0.092 nan 8.250 nan 0.000 0.447 115 T N 0.383 114.971 114.554 0.056 0.000 2.902 115 T HA 0.042 4.404 4.350 0.020 0.000 0.280 115 T C 1.665 176.402 174.700 0.062 0.000 0.992 115 T CA -0.323 61.809 62.100 0.054 0.000 1.015 115 T CB 0.994 69.877 68.868 0.025 0.000 1.044 115 T HN 0.634 nan 8.240 nan 0.000 0.520 116 S N 1.135 116.910 115.700 0.126 0.000 2.383 116 S HA -0.217 4.265 4.470 0.020 0.000 0.229 116 S C 1.561 176.211 174.600 0.082 0.000 1.030 116 S CA 1.919 60.187 58.200 0.112 0.000 1.002 116 S CB -0.725 62.576 63.200 0.169 0.000 0.829 116 S HN 0.861 nan 8.310 nan 0.000 0.467 117 D N 1.152 121.601 120.400 0.082 0.000 2.178 117 D HA -0.162 4.490 4.640 0.020 0.000 0.202 117 D C 2.009 178.315 176.300 0.010 0.000 0.974 117 D CA 1.230 55.290 54.000 0.101 0.000 0.841 117 D CB -0.759 40.063 40.800 0.037 0.000 0.953 117 D HN 0.564 nan 8.370 nan 0.000 0.478 118 Q N -0.315 119.393 119.800 -0.153 0.000 2.167 118 Q HA -0.041 4.311 4.340 0.020 0.000 0.202 118 Q C 2.170 177.573 176.000 -0.995 0.000 0.970 118 Q CA 0.585 56.128 55.803 -0.434 0.000 0.855 118 Q CB 0.007 28.512 28.738 -0.388 0.000 0.911 118 Q HN 0.364 nan 8.270 nan 0.000 0.438 119 I N 0.779 120.905 120.570 -0.740 0.000 2.185 119 I HA -0.336 3.846 4.170 0.020 0.000 0.246 119 I C 2.058 177.909 176.117 -0.444 0.000 1.088 119 I CA 1.792 62.691 61.300 -0.668 0.000 1.347 119 I CB -1.485 36.139 38.000 -0.627 0.000 1.041 119 I HN 0.370 nan 8.210 nan 0.000 0.415 120 H N -0.740 118.280 119.070 -0.084 0.000 2.457 120 H HA -0.150 4.418 4.556 0.020 0.000 0.294 120 H C 2.118 177.463 175.328 0.029 0.000 1.064 120 H CA 1.269 57.346 56.048 0.048 0.000 1.330 120 H CB -0.402 29.405 29.762 0.075 0.000 1.395 120 H HN 0.291 nan 8.280 nan 0.000 0.541 121 F N 1.519 121.416 119.950 -0.088 0.000 2.186 121 F HA -0.162 4.377 4.527 0.021 0.000 0.299 121 F C 1.700 177.563 175.800 0.106 0.000 1.090 121 F CA 0.745 58.728 58.000 -0.028 0.000 1.307 121 F CB -0.416 38.557 39.000 -0.044 0.000 1.019 121 F HN -0.098 nan 8.300 nan 0.000 0.489 122 F N -0.954 118.859 119.950 -0.228 0.000 2.259 122 F HA -0.027 4.512 4.527 0.020 0.000 0.298 122 F C 2.199 177.774 175.800 -0.375 0.000 1.088 122 F CA 0.356 58.132 58.000 -0.372 0.000 1.358 122 F CB -1.986 36.830 39.000 -0.306 0.000 1.040 122 F HN -0.060 nan 8.300 nan 0.000 0.505 123 F N 0.670 120.552 119.950 -0.113 0.000 2.146 123 F HA -0.048 4.491 4.527 0.020 0.000 0.298 123 F C 2.563 178.229 175.800 -0.224 0.000 1.096 123 F CA 1.044 58.940 58.000 -0.174 0.000 1.275 123 F CB -1.116 37.742 39.000 -0.238 0.000 1.008 123 F HN -0.025 nan 8.300 nan 0.000 0.480 124 A N 0.833 123.603 122.820 -0.084 0.000 1.882 124 A HA -0.333 3.999 4.320 0.020 0.000 0.220 124 A C 2.295 179.819 177.584 -0.100 0.000 1.253 124 A CA 2.661 54.643 52.037 -0.093 0.000 0.664 124 A CB -0.921 18.060 19.000 -0.032 0.000 0.838 124 A HN 0.379 nan 8.150 nan 0.000 0.460 125 K N -0.991 119.292 120.400 -0.195 0.000 2.032 125 K HA -0.145 4.187 4.320 0.020 0.000 0.209 125 K C 2.009 178.538 176.600 -0.119 0.000 1.048 125 K CA 1.433 57.613 56.287 -0.180 0.000 0.927 125 K CB -0.664 31.669 32.500 -0.278 0.000 0.712 125 K HN 0.400 nan 8.250 nan 0.000 0.441 126 L N 2.587 123.730 121.223 -0.133 0.000 1.990 126 L HA -0.211 4.141 4.340 0.020 0.000 0.213 126 L C 1.694 178.548 176.870 -0.027 0.000 1.072 126 L CA 1.865 56.641 54.840 -0.107 0.000 0.755 126 L CB -0.778 41.170 42.059 -0.184 0.000 0.889 126 L HN 0.139 nan 8.230 nan 0.000 0.432 127 N N -0.716 118.023 118.700 0.065 0.000 2.084 127 N HA -0.227 4.525 4.740 0.020 0.000 0.190 127 N C 2.113 177.710 175.510 0.145 0.000 1.030 127 N CA 1.586 54.757 53.050 0.201 0.000 0.849 127 N CB -1.207 37.401 38.487 0.202 0.000 1.012 127 N HN 0.665 nan 8.380 nan 0.000 0.423 128 c N 1.811 120.445 118.600 0.056 0.000 2.393 128 c HA -0.096 4.486 4.570 0.020 0.000 0.276 128 c C 2.664 176.763 174.090 0.015 0.000 1.215 128 c CA 1.045 57.398 56.329 0.039 0.000 1.743 128 c CB -0.945 41.569 42.510 0.008 0.000 2.044 128 c HN 0.386 nan 8.230 nan 0.000 0.464 129 R N 0.312 120.796 120.500 -0.026 0.000 2.083 129 R HA -0.048 4.304 4.340 0.020 0.000 0.237 129 R C 2.253 178.494 176.300 -0.099 0.000 1.137 129 R CA 1.869 57.939 56.100 -0.050 0.000 0.951 129 R CB -0.506 29.758 30.300 -0.060 0.000 0.851 129 R HN 0.576 nan 8.270 nan 0.000 0.434 130 L N -1.105 120.001 121.223 -0.195 0.000 1.961 130 L HA -0.203 4.149 4.340 0.020 0.000 0.210 130 L C 1.881 178.496 176.870 -0.425 0.000 1.072 130 L CA 1.573 56.141 54.840 -0.454 0.000 0.749 130 L CB -0.309 41.212 42.059 -0.898 0.000 0.889 130 L HN 0.246 nan 8.230 nan 0.000 0.432 131 Y N -2.507 117.816 120.300 0.039 0.000 2.507 131 Y HA 0.138 4.699 4.550 0.019 0.000 0.263 131 Y C 2.430 178.357 175.900 0.045 0.000 1.093 131 Y CA -0.137 57.993 58.100 0.051 0.000 1.285 131 Y CB -0.008 38.489 38.460 0.061 0.000 1.115 131 Y HN -0.075 nan 8.280 nan 0.000 0.533 132 R N 1.620 122.219 120.500 0.164 0.000 2.223 132 R HA 0.049 4.401 4.340 0.020 0.000 0.198 132 R C 0.517 176.859 176.300 0.071 0.000 0.984 132 R CA -0.037 56.129 56.100 0.111 0.000 1.018 132 R CB 0.098 30.453 30.300 0.090 0.000 0.945 132 R HN 0.240 nan 8.270 nan 0.000 0.479 133 K N 0.758 121.188 120.400 0.050 0.000 2.591 133 K HA -0.015 4.317 4.320 0.020 0.000 0.280 133 K C -0.528 176.098 176.600 0.043 0.000 0.964 133 K CA 0.441 56.747 56.287 0.033 0.000 1.014 133 K CB 0.407 32.914 32.500 0.012 0.000 0.877 133 K HN -0.046 nan 8.250 nan 0.000 0.502 134 A N 4.054 126.896 122.820 0.037 0.000 2.489 134 A HA 0.011 4.343 4.320 0.020 0.000 0.289 134 A C -0.316 177.294 177.584 0.042 0.000 1.216 134 A CA -0.181 51.879 52.037 0.039 0.000 0.883 134 A CB -0.310 18.709 19.000 0.032 0.000 1.110 134 A HN 0.716 nan 8.150 nan 0.000 0.523 135 Q N 1.505 121.336 119.800 0.052 0.000 2.274 135 Q HA 0.511 4.863 4.340 0.020 0.000 0.256 135 Q C 0.825 176.856 176.000 0.051 0.000 0.927 135 Q CA 0.203 56.040 55.803 0.056 0.000 0.939 135 Q CB 1.363 30.145 28.738 0.073 0.000 1.201 135 Q HN 0.766 nan 8.270 nan 0.000 0.426 136 K N 1.054 121.483 120.400 0.049 0.000 2.567 136 K HA 0.133 4.465 4.320 0.020 0.000 0.199 136 K C 1.723 178.349 176.600 0.043 0.000 1.412 136 K CA 0.699 57.012 56.287 0.043 0.000 1.020 136 K CB -0.004 32.520 32.500 0.039 0.000 1.487 136 K HN 0.391 nan 8.250 nan 0.000 0.531 137 S N 1.261 116.992 115.700 0.051 0.000 2.341 137 S HA 0.061 4.543 4.470 0.020 0.000 0.204 137 S C 1.096 175.717 174.600 0.035 0.000 1.038 137 S CA 1.091 59.326 58.200 0.057 0.000 1.013 137 S CB -0.041 63.210 63.200 0.086 0.000 0.994 137 S HN 0.710 nan 8.310 nan 0.000 0.430 138 S N 1.601 117.326 115.700 0.042 0.000 2.593 138 S HA 0.575 5.057 4.470 0.020 0.000 0.297 138 S C -0.917 173.695 174.600 0.019 0.000 1.112 138 S CA -1.045 57.143 58.200 -0.019 0.000 1.043 138 S CB 1.156 64.368 63.200 0.020 0.000 1.054 138 S HN 0.094 nan 8.310 nan 0.000 0.516 139 K N 1.153 121.530 120.400 -0.038 0.000 2.159 139 K HA 0.573 4.905 4.320 0.020 0.000 0.266 139 K C -1.332 175.341 176.600 0.123 0.000 0.975 139 K CA -0.634 55.690 56.287 0.060 0.000 0.865 139 K CB 1.474 34.041 32.500 0.110 0.000 1.087 139 K HN 0.551 nan 8.250 nan 0.000 0.446 140 L N 2.793 124.139 121.223 0.204 0.000 2.406 140 L HA 0.356 4.708 4.340 0.020 0.000 0.270 140 L C -1.437 175.663 176.870 0.382 0.000 0.982 140 L CA -0.666 54.335 54.840 0.268 0.000 0.843 140 L CB 1.890 44.042 42.059 0.155 0.000 1.225 140 L HN 0.317 nan 8.230 nan 0.000 0.412 141 V N 3.293 123.459 119.914 0.419 0.000 2.588 141 V HA 0.552 4.684 4.120 0.020 0.000 0.304 141 V C -0.079 176.145 176.094 0.216 0.000 1.042 141 V CA -0.503 62.000 62.300 0.338 0.000 0.877 141 V CB 2.162 34.163 31.823 0.298 0.000 0.996 141 V HN 0.746 nan 8.190 nan 0.000 0.425 142 S N 3.342 119.002 115.700 -0.066 0.000 2.525 142 S HA 0.785 5.267 4.470 0.020 0.000 0.278 142 S C -0.097 174.436 174.600 -0.112 0.000 1.234 142 S CA -0.122 57.927 58.200 -0.252 0.000 1.058 142 S CB 1.079 63.755 63.200 -0.874 0.000 0.983 142 S HN 1.088 nan 8.310 nan 0.000 0.495 143 A N 5.031 127.831 122.820 -0.033 0.000 2.409 143 A HA 0.622 4.954 4.320 0.020 0.000 0.300 143 A C -0.905 176.781 177.584 0.169 0.000 1.273 143 A CA -0.809 51.241 52.037 0.023 0.000 0.774 143 A CB 0.396 19.303 19.000 -0.155 0.000 1.144 143 A HN 0.724 nan 8.150 nan 0.000 0.472 144 N N 1.781 120.598 118.700 0.196 0.000 2.491 144 N HA 0.479 5.231 4.740 0.020 0.000 0.274 144 N C -0.917 174.606 175.510 0.022 0.000 1.023 144 N CA -0.233 52.861 53.050 0.073 0.000 0.902 144 N CB 1.923 40.374 38.487 -0.060 0.000 1.267 144 N HN 0.747 nan 8.380 nan 0.000 0.503 145 R N 1.704 122.187 120.500 -0.029 0.000 2.604 145 R HA 0.432 4.785 4.340 0.020 0.000 0.281 145 R C -1.532 174.535 176.300 -0.388 0.000 1.020 145 R CA -0.763 55.114 56.100 -0.370 0.000 0.899 145 R CB 1.520 31.335 30.300 -0.809 0.000 1.205 145 R HN 0.249 nan 8.270 nan 0.000 0.450 146 L N 4.995 125.886 121.223 -0.554 0.000 2.264 146 L HA 0.464 4.816 4.340 0.020 0.000 0.287 146 L C -1.496 175.139 176.870 -0.393 0.000 1.039 146 L CA -0.108 54.510 54.840 -0.369 0.000 0.829 146 L CB 0.696 42.512 42.059 -0.404 0.000 1.211 146 L HN 0.501 nan 8.230 nan 0.000 0.427 147 F N 3.305 123.250 119.950 -0.008 0.000 2.391 147 F HA 0.674 5.213 4.527 0.020 0.000 0.359 147 F C 1.030 176.877 175.800 0.078 0.000 1.122 147 F CA -0.271 57.752 58.000 0.038 0.000 1.120 147 F CB 1.544 40.673 39.000 0.215 0.000 1.142 147 F HN 0.535 nan 8.300 nan 0.000 0.483 148 G N 2.311 111.150 108.800 0.066 0.000 2.519 148 G HA2 0.371 4.343 3.960 0.020 0.000 0.307 148 G HA3 0.371 4.343 3.960 0.020 0.000 0.307 148 G C -1.600 172.987 174.900 -0.521 0.000 1.266 148 G CA -0.770 44.272 45.100 -0.097 0.000 0.970 148 G HN 0.519 nan 8.290 nan 0.000 0.481 149 D N 0.074 120.176 120.400 -0.497 0.000 2.400 149 D HA 0.058 4.710 4.640 0.020 0.000 0.238 149 D C 1.583 177.727 176.300 -0.259 0.000 1.157 149 D CA 0.050 53.789 54.000 -0.436 0.000 0.889 149 D CB 0.870 41.620 40.800 -0.084 0.000 1.199 149 D HN 0.323 nan 8.370 nan 0.000 0.436 150 K N 1.019 121.305 120.400 -0.188 0.000 2.160 150 K HA -0.200 4.132 4.320 0.020 0.000 0.206 150 K C 2.084 178.627 176.600 -0.095 0.000 1.047 150 K CA 1.437 57.653 56.287 -0.117 0.000 0.930 150 K CB -0.276 32.179 32.500 -0.074 0.000 0.720 150 K HN 0.545 nan 8.250 nan 0.000 0.450 151 S N 1.444 117.094 115.700 -0.084 0.000 2.383 151 S HA -0.125 4.357 4.470 0.020 0.000 0.229 151 S C 1.042 175.576 174.600 -0.110 0.000 1.030 151 S CA 0.496 58.652 58.200 -0.073 0.000 1.002 151 S CB -0.726 62.447 63.200 -0.046 0.000 0.829 151 S HN 0.157 nan 8.310 nan 0.000 0.467 152 L N 1.458 122.579 121.223 -0.171 0.000 2.483 152 L HA 0.309 4.661 4.340 0.020 0.000 0.276 152 L C 0.001 176.707 176.870 -0.273 0.000 1.213 152 L CA 0.085 54.760 54.840 -0.275 0.000 0.843 152 L CB 0.015 41.799 42.059 -0.458 0.000 1.107 152 L HN 0.143 nan 8.230 nan 0.000 0.487 153 T N 2.492 116.882 114.554 -0.275 0.000 2.906 153 T HA 0.454 4.816 4.350 0.020 0.000 0.302 153 T C -0.348 174.254 174.700 -0.163 0.000 1.002 153 T CA -0.400 61.607 62.100 -0.156 0.000 0.988 153 T CB 0.332 69.160 68.868 -0.066 0.000 0.972 153 T HN 0.132 nan 8.240 nan 0.000 0.447 154 F N 3.004 122.946 119.950 -0.014 0.000 2.450 154 F HA 0.263 4.802 4.527 0.020 0.000 0.339 154 F C 1.470 177.310 175.800 0.067 0.000 1.146 154 F CA -0.526 57.507 58.000 0.054 0.000 1.267 154 F CB 0.534 39.512 39.000 -0.037 0.000 1.178 154 F HN 0.405 nan 8.300 nan 0.000 0.585 155 N N 1.816 120.708 118.700 0.320 0.000 2.454 155 N HA -0.067 4.685 4.740 0.020 0.000 0.254 155 N C 0.837 176.443 175.510 0.161 0.000 1.228 155 N CA -0.034 53.120 53.050 0.174 0.000 0.900 155 N CB 0.790 39.350 38.487 0.122 0.000 1.089 155 N HN 0.615 nan 8.380 nan 0.000 0.449 156 E N 1.538 121.789 120.200 0.085 0.000 2.068 156 E HA -0.213 4.149 4.350 0.020 0.000 0.207 156 E C 1.584 178.218 176.600 0.056 0.000 1.032 156 E CA 2.463 58.895 56.400 0.053 0.000 0.839 156 E CB -0.440 29.277 29.700 0.028 0.000 0.758 156 E HN 0.677 nan 8.360 nan 0.000 0.457 157 T N 0.204 114.792 114.554 0.055 0.000 2.684 157 T HA -0.214 4.148 4.350 0.020 0.000 0.267 157 T C 1.477 176.237 174.700 0.100 0.000 1.036 157 T CA 1.434 63.563 62.100 0.048 0.000 1.148 157 T CB -0.511 68.368 68.868 0.018 0.000 0.863 157 T HN 0.176 nan 8.240 nan 0.000 0.436 158 Y N 2.284 122.566 120.300 -0.030 0.000 2.030 158 Y HA -0.232 4.330 4.550 0.020 0.000 0.274 158 Y C 2.497 178.349 175.900 -0.080 0.000 1.153 158 Y CA 1.307 59.380 58.100 -0.046 0.000 1.115 158 Y CB -1.138 37.331 38.460 0.015 0.000 0.969 158 Y HN 0.359 nan 8.280 nan 0.000 0.488 159 Q N -0.166 119.638 119.800 0.006 0.000 1.906 159 Q HA -0.291 4.061 4.340 0.020 0.000 0.221 159 Q C 1.844 177.792 176.000 -0.086 0.000 1.021 159 Q CA 1.984 57.707 55.803 -0.133 0.000 0.880 159 Q CB -0.551 28.140 28.738 -0.079 0.000 0.966 159 Q HN 0.425 nan 8.270 nan 0.000 0.418 160 D N 0.451 120.831 120.400 -0.033 0.000 2.421 160 D HA -0.236 4.416 4.640 0.020 0.000 0.195 160 D C 1.867 178.159 176.300 -0.014 0.000 1.022 160 D CA 1.704 55.691 54.000 -0.021 0.000 0.871 160 D CB -0.602 40.195 40.800 -0.004 0.000 1.026 160 D HN 0.255 nan 8.370 nan 0.000 0.462 161 I N 0.791 121.364 120.570 0.005 0.000 2.185 161 I HA -0.338 3.844 4.170 0.020 0.000 0.246 161 I C 2.533 178.679 176.117 0.047 0.000 1.088 161 I CA 1.717 63.029 61.300 0.020 0.000 1.347 161 I CB -0.468 37.537 38.000 0.008 0.000 1.041 161 I HN 0.070 nan 8.210 nan 0.000 0.415 162 S N -0.008 115.703 115.700 0.019 0.000 2.383 162 S HA -0.237 4.245 4.470 0.020 0.000 0.227 162 S C 1.905 176.511 174.600 0.011 0.000 1.026 162 S CA 1.328 59.547 58.200 0.032 0.000 0.981 162 S CB -0.396 62.688 63.200 -0.193 0.000 0.818 162 S HN 0.552 nan 8.310 nan 0.000 0.472 163 E N 0.765 120.933 120.200 -0.053 0.000 2.023 163 E HA -0.152 4.210 4.350 0.020 0.000 0.196 163 E C 1.982 178.576 176.600 -0.011 0.000 1.003 163 E CA 1.336 57.709 56.400 -0.046 0.000 0.809 163 E CB -0.336 29.328 29.700 -0.060 0.000 0.755 163 E HN 0.496 nan 8.360 nan 0.000 0.449 164 L N 0.186 121.407 121.223 -0.003 0.000 1.932 164 L HA -0.196 4.156 4.340 0.020 0.000 0.217 164 L C 2.387 179.247 176.870 -0.017 0.000 1.077 164 L CA 1.771 56.611 54.840 0.000 0.000 0.765 164 L CB -0.746 41.318 42.059 0.009 0.000 0.888 164 L HN 0.103 nan 8.230 nan 0.000 0.433 165 V N -1.246 118.643 119.914 -0.040 0.000 2.287 165 V HA -0.310 3.822 4.120 0.020 0.000 0.248 165 V C 1.937 177.814 176.094 -0.362 0.000 1.053 165 V CA 2.180 64.355 62.300 -0.207 0.000 1.027 165 V CB -0.822 30.836 31.823 -0.276 0.000 0.646 165 V HN 0.554 nan 8.190 nan 0.000 0.447 166 Y N -0.332 119.964 120.300 -0.007 0.000 2.467 166 Y HA 0.489 5.050 4.550 0.020 0.000 0.250 166 Y C 1.802 177.656 175.900 -0.078 0.000 1.155 166 Y CA 0.204 58.274 58.100 -0.049 0.000 1.249 166 Y CB 0.146 38.541 38.460 -0.108 0.000 1.146 166 Y HN 0.295 nan 8.280 nan 0.000 0.524 167 G N 1.223 110.050 108.800 0.044 0.000 2.323 167 G HA2 -0.103 3.869 3.960 0.020 0.000 0.292 167 G HA3 -0.103 3.869 3.960 0.020 0.000 0.292 167 G C -0.011 174.883 174.900 -0.010 0.000 1.040 167 G CA 0.307 45.410 45.100 0.005 0.000 0.942 167 G HN 0.620 nan 8.290 nan 0.000 0.506 168 A N -0.714 122.081 122.820 -0.042 0.000 2.365 168 A HA 0.892 5.224 4.320 0.020 0.000 0.318 168 A C -0.048 177.397 177.584 -0.232 0.000 1.091 168 A CA -0.201 51.760 52.037 -0.127 0.000 0.763 168 A CB 1.481 20.381 19.000 -0.167 0.000 1.248 168 A HN 0.826 nan 8.150 nan 0.000 0.442 169 K N 1.593 121.800 120.400 -0.322 0.000 2.164 169 K HA 0.650 4.982 4.320 0.020 0.000 0.258 169 K C -1.375 174.850 176.600 -0.624 0.000 0.951 169 K CA -0.330 55.710 56.287 -0.411 0.000 0.844 169 K CB 0.924 33.200 32.500 -0.373 0.000 1.099 169 K HN 0.557 nan 8.250 nan 0.000 0.435 170 L N 4.406 125.190 121.223 -0.732 0.000 2.315 170 L HA 0.273 4.625 4.340 0.020 0.000 0.278 170 L C -0.313 176.094 176.870 -0.771 0.000 1.088 170 L CA -0.680 53.468 54.840 -1.152 0.000 0.899 170 L CB 0.708 41.596 42.059 -1.951 0.000 1.277 170 L HN 0.621 nan 8.230 nan 0.000 0.431 171 Q N 5.731 125.130 119.800 -0.668 0.000 2.307 171 Q HA 0.305 4.657 4.340 0.020 0.000 0.259 171 Q C -2.426 173.467 176.000 -0.179 0.000 0.998 171 Q CA -1.531 54.005 55.803 -0.445 0.000 0.923 171 Q CB 1.163 29.511 28.738 -0.651 0.000 1.196 171 Q HN 0.180 nan 8.270 nan 0.000 0.416 172 P HA 0.226 nan 4.420 nan 0.000 0.287 172 P C -1.122 176.109 177.300 -0.115 0.000 1.281 172 P CA -0.027 63.029 63.100 -0.073 0.000 0.781 172 P CB 0.765 32.443 31.700 -0.037 0.000 0.903 173 L N 2.259 123.321 121.223 -0.267 0.000 2.401 173 L HA 0.333 4.685 4.340 0.020 0.000 0.266 173 L C 0.394 177.114 176.870 -0.250 0.000 0.991 173 L CA -0.904 53.820 54.840 -0.194 0.000 0.818 173 L CB 2.372 44.388 42.059 -0.072 0.000 1.321 173 L HN 0.213 nan 8.230 nan 0.000 0.413 174 D N 1.964 122.349 120.400 -0.026 0.000 2.606 174 D HA -0.044 4.608 4.640 0.020 0.000 0.234 174 D C 0.820 177.248 176.300 0.213 0.000 1.140 174 D CA 0.325 54.354 54.000 0.049 0.000 1.182 174 D CB 0.143 40.975 40.800 0.054 0.000 1.130 174 D HN 0.217 nan 8.370 nan 0.000 0.485 175 F N 1.294 121.254 119.950 0.017 0.000 2.293 175 F HA 0.024 4.563 4.527 0.020 0.000 0.297 175 F C 2.198 178.006 175.800 0.013 0.000 1.089 175 F CA 0.407 58.415 58.000 0.014 0.000 1.377 175 F CB -0.390 38.622 39.000 0.021 0.000 1.051 175 F HN 0.228 nan 8.300 nan 0.000 0.511 176 K N 0.213 120.735 120.400 0.202 0.000 1.978 176 K HA -0.173 4.159 4.320 0.020 0.000 0.214 176 K C 1.995 178.645 176.600 0.084 0.000 1.049 176 K CA 1.884 58.240 56.287 0.116 0.000 0.939 176 K CB -0.032 32.513 32.500 0.076 0.000 0.721 176 K HN 0.159 nan 8.250 nan 0.000 0.441 177 E N -0.025 120.219 120.200 0.074 0.000 2.099 177 E HA -0.025 4.337 4.350 0.020 0.000 0.191 177 E C 0.367 176.997 176.600 0.051 0.000 0.962 177 E CA 0.657 57.088 56.400 0.052 0.000 0.826 177 E CB -0.038 29.685 29.700 0.039 0.000 0.788 177 E HN 0.240 nan 8.360 nan 0.000 0.461 178 N N 1.174 119.914 118.700 0.067 0.000 2.839 178 N HA 0.243 4.995 4.740 0.020 0.000 0.314 178 N C 0.534 176.084 175.510 0.066 0.000 1.449 178 N CA 0.244 53.328 53.050 0.058 0.000 1.050 178 N CB 0.867 39.386 38.487 0.053 0.000 1.364 178 N HN 0.102 nan 8.380 nan 0.000 0.512 179 A N 0.643 123.489 122.820 0.043 0.000 1.863 179 A HA -0.309 4.023 4.320 0.020 0.000 0.218 179 A C 2.104 179.662 177.584 -0.044 0.000 1.233 179 A CA 1.851 53.881 52.037 -0.013 0.000 0.655 179 A CB -0.532 18.448 19.000 -0.033 0.000 0.839 179 A HN 0.426 nan 8.150 nan 0.000 0.454 180 E N -1.159 119.021 120.200 -0.033 0.000 2.077 180 E HA -0.103 4.259 4.350 0.020 0.000 0.193 180 E C 2.643 179.227 176.600 -0.028 0.000 0.989 180 E CA 2.170 58.545 56.400 -0.041 0.000 0.800 180 E CB -0.510 29.169 29.700 -0.035 0.000 0.746 180 E HN 0.658 nan 8.360 nan 0.000 0.452 181 Q N -0.061 119.737 119.800 -0.004 0.000 2.135 181 Q HA -0.192 4.160 4.340 0.020 0.000 0.204 181 Q C 2.395 178.404 176.000 0.014 0.000 0.981 181 Q CA 2.155 57.963 55.803 0.008 0.000 0.856 181 Q CB -1.069 27.681 28.738 0.019 0.000 0.902 181 Q HN 0.330 nan 8.270 nan 0.000 0.425 182 S N -0.264 115.458 115.700 0.037 0.000 2.368 182 S HA -0.105 4.377 4.470 0.020 0.000 0.224 182 S C 2.047 176.618 174.600 -0.048 0.000 1.029 182 S CA 0.932 59.168 58.200 0.060 0.000 0.988 182 S CB -0.266 63.087 63.200 0.256 0.000 0.838 182 S HN 0.748 nan 8.310 nan 0.000 0.462 183 R N 1.606 122.049 120.500 -0.096 0.000 2.097 183 R HA -0.168 4.184 4.340 0.020 0.000 0.236 183 R C 2.415 178.654 176.300 -0.101 0.000 1.135 183 R CA 1.594 57.610 56.100 -0.140 0.000 0.934 183 R CB -0.746 29.472 30.300 -0.137 0.000 0.846 183 R HN 0.339 nan 8.270 nan 0.000 0.431 184 A N 0.902 123.685 122.820 -0.062 0.000 1.894 184 A HA -0.311 4.021 4.320 0.020 0.000 0.220 184 A C 2.456 180.032 177.584 -0.013 0.000 1.237 184 A CA 2.653 54.670 52.037 -0.034 0.000 0.660 184 A CB -1.357 17.631 19.000 -0.019 0.000 0.835 184 A HN 0.665 nan 8.150 nan 0.000 0.461 185 A N -0.368 122.447 122.820 -0.008 0.000 1.873 185 A HA -0.173 4.159 4.320 0.020 0.000 0.218 185 A C 2.182 179.784 177.584 0.031 0.000 1.193 185 A CA 1.862 53.912 52.037 0.022 0.000 0.629 185 A CB -0.772 18.242 19.000 0.023 0.000 0.826 185 A HN 0.578 nan 8.150 nan 0.000 0.447 186 I N -0.315 120.184 120.570 -0.120 0.000 2.099 186 I HA -0.308 3.874 4.170 0.020 0.000 0.239 186 I C 2.336 178.511 176.117 0.096 0.000 1.066 186 I CA 1.522 62.727 61.300 -0.158 0.000 1.324 186 I CB -0.698 36.986 38.000 -0.527 0.000 1.037 186 I HN 0.307 nan 8.210 nan 0.000 0.401 187 N N 1.157 119.862 118.700 0.009 0.000 2.049 187 N HA -0.272 4.480 4.740 0.020 0.000 0.198 187 N C 1.774 177.317 175.510 0.056 0.000 1.030 187 N CA 1.547 54.610 53.050 0.023 0.000 0.870 187 N CB -0.460 38.007 38.487 -0.033 0.000 1.045 187 N HN 0.331 nan 8.380 nan 0.000 0.434 188 K N -0.475 119.964 120.400 0.064 0.000 2.044 188 K HA -0.213 4.119 4.320 0.020 0.000 0.210 188 K C 2.149 178.830 176.600 0.136 0.000 1.049 188 K CA 1.620 57.954 56.287 0.078 0.000 0.927 188 K CB -0.334 32.212 32.500 0.076 0.000 0.713 188 K HN 0.310 nan 8.250 nan 0.000 0.443 189 W N 0.787 122.105 121.300 0.031 0.000 2.381 189 W HA -0.184 4.489 4.660 0.022 0.000 0.301 189 W C 1.586 178.145 176.519 0.066 0.000 1.205 189 W CA 1.169 58.554 57.345 0.066 0.000 1.285 189 W CB -0.299 29.242 29.460 0.136 0.000 1.133 189 W HN -0.170 nan 8.180 nan 0.000 0.521 190 V N 0.682 120.619 119.914 0.038 0.000 2.343 190 V HA -0.348 3.784 4.120 0.020 0.000 0.247 190 V C 2.599 178.589 176.094 -0.173 0.000 1.051 190 V CA 2.182 64.376 62.300 -0.178 0.000 1.036 190 V CB -1.469 30.389 31.823 0.059 0.000 0.654 190 V HN 0.410 nan 8.190 nan 0.000 0.451 191 S N 1.094 116.739 115.700 -0.091 0.000 2.359 191 S HA -0.328 4.154 4.470 0.020 0.000 0.223 191 S C 2.083 176.585 174.600 -0.163 0.000 1.039 191 S CA 2.242 60.378 58.200 -0.107 0.000 1.042 191 S CB -0.729 62.432 63.200 -0.066 0.000 0.915 191 S HN 0.725 nan 8.310 nan 0.000 0.439 192 N N 0.708 119.307 118.700 -0.168 0.000 2.453 192 N HA -0.074 4.678 4.740 0.020 0.000 0.183 192 N C 1.083 176.430 175.510 -0.271 0.000 1.041 192 N CA 0.864 53.805 53.050 -0.183 0.000 0.900 192 N CB -0.173 38.256 38.487 -0.097 0.000 0.961 192 N HN 0.419 nan 8.380 nan 0.000 0.443 193 K N -0.132 120.034 120.400 -0.389 0.000 2.379 193 K HA 0.059 4.391 4.320 0.020 0.000 0.194 193 K C 1.282 177.686 176.600 -0.326 0.000 1.031 193 K CA 0.706 56.767 56.287 -0.377 0.000 1.037 193 K CB 0.185 32.364 32.500 -0.534 0.000 0.824 193 K HN 0.351 nan 8.250 nan 0.000 0.516 194 T N -1.269 113.101 114.554 -0.306 0.000 3.092 194 T HA 0.119 4.481 4.350 0.020 0.000 0.258 194 T C -0.102 174.276 174.700 -0.536 0.000 1.031 194 T CA -0.240 61.672 62.100 -0.314 0.000 0.925 194 T CB 0.136 69.025 68.868 0.035 0.000 1.036 194 T HN -0.033 nan 8.240 nan 0.000 0.544 195 E N 0.544 120.457 120.200 -0.479 0.000 2.637 195 E HA -0.189 4.173 4.350 0.020 0.000 0.265 195 E C 1.126 177.594 176.600 -0.220 0.000 1.073 195 E CA 1.076 57.273 56.400 -0.339 0.000 0.778 195 E CB -2.201 27.279 29.700 -0.366 0.000 1.362 195 E HN 1.145 nan 8.360 nan 0.000 0.413 196 G N -0.413 108.267 108.800 -0.200 0.000 2.162 196 G HA2 -0.417 3.555 3.960 0.020 0.000 0.260 196 G HA3 -0.417 3.555 3.960 0.020 0.000 0.260 196 G C 1.010 175.785 174.900 -0.209 0.000 0.976 196 G CA 0.599 45.599 45.100 -0.166 0.000 0.655 196 G HN 0.264 nan 8.290 nan 0.000 0.533 197 R N -0.458 119.861 120.500 -0.301 0.000 2.127 197 R HA 0.269 4.621 4.340 0.020 0.000 0.217 197 R C 1.201 177.274 176.300 -0.378 0.000 1.074 197 R CA 0.564 56.353 56.100 -0.520 0.000 0.991 197 R CB 0.088 29.651 30.300 -1.229 0.000 0.895 197 R HN 0.509 nan 8.270 nan 0.000 0.450 198 I N 0.863 121.325 120.570 -0.179 0.000 2.328 198 I HA 0.097 4.279 4.170 0.020 0.000 0.287 198 I C 0.849 176.936 176.117 -0.051 0.000 1.012 198 I CA 0.037 61.309 61.300 -0.048 0.000 1.195 198 I CB 2.147 40.200 38.000 0.089 0.000 1.350 198 I HN -0.116 nan 8.210 nan 0.000 0.464 199 T N 2.534 117.055 114.554 -0.056 0.000 2.990 199 T HA 0.058 4.420 4.350 0.020 0.000 0.250 199 T C 0.009 174.683 174.700 -0.043 0.000 1.041 199 T CA 0.361 62.430 62.100 -0.053 0.000 1.010 199 T CB -0.023 68.805 68.868 -0.065 0.000 1.003 199 T HN 0.720 nan 8.240 nan 0.000 0.499 200 D N 0.862 121.237 120.400 -0.042 0.000 2.879 200 D HA 0.208 4.860 4.640 0.020 0.000 0.351 200 D C 1.313 177.570 176.300 -0.072 0.000 1.239 200 D CA -0.367 53.594 54.000 -0.065 0.000 0.771 200 D CB -0.401 40.357 40.800 -0.071 0.000 1.176 200 D HN 0.195 nan 8.370 nan 0.000 0.496 201 V N -1.508 118.383 119.914 -0.038 0.000 2.255 201 V HA -0.108 4.025 4.120 0.020 0.000 0.247 201 V C 1.180 177.154 176.094 -0.201 0.000 1.051 201 V CA 0.873 63.166 62.300 -0.012 0.000 1.018 201 V CB -0.791 31.094 31.823 0.103 0.000 0.641 201 V HN 0.354 nan 8.190 nan 0.000 0.445 202 I N 4.001 124.392 120.570 -0.298 0.000 2.322 202 I HA 0.299 4.481 4.170 0.020 0.000 0.292 202 I C -2.165 173.695 176.117 -0.428 0.000 1.060 202 I CA -1.953 58.977 61.300 -0.618 0.000 1.309 202 I CB 1.145 38.910 38.000 -0.391 0.000 1.415 202 I HN 0.200 nan 8.210 nan 0.000 0.492 203 P HA 0.071 nan 4.420 nan 0.000 0.272 203 P C -0.295 176.892 177.300 -0.187 0.000 1.223 203 P CA -0.286 62.662 63.100 -0.253 0.000 0.784 203 P CB 0.601 32.181 31.700 -0.200 0.000 0.923 204 S N 1.372 117.000 115.700 -0.120 0.000 2.561 204 S HA -0.073 4.409 4.470 0.020 0.000 0.294 204 S C 0.290 174.847 174.600 -0.072 0.000 1.294 204 S CA 0.311 58.458 58.200 -0.088 0.000 1.055 204 S CB -0.788 62.374 63.200 -0.063 0.000 0.819 204 S HN 0.496 nan 8.310 nan 0.000 0.503 205 E N -0.174 119.988 120.200 -0.063 0.000 2.252 205 E HA -0.257 4.105 4.350 0.020 0.000 0.199 205 E C 0.204 176.789 176.600 -0.025 0.000 1.352 205 E CA 0.529 56.905 56.400 -0.041 0.000 0.682 205 E CB -1.564 28.121 29.700 -0.026 0.000 1.142 205 E HN 0.708 nan 8.360 nan 0.000 0.367 206 A N 0.482 123.282 122.820 -0.033 0.000 2.530 206 A HA 0.400 4.732 4.320 0.020 0.000 0.214 206 A C 0.366 177.965 177.584 0.025 0.000 1.352 206 A CA -0.083 51.978 52.037 0.040 0.000 1.035 206 A CB 0.920 19.954 19.000 0.056 0.000 1.296 206 A HN 0.219 nan 8.150 nan 0.000 0.563 207 I N 1.992 122.518 120.570 -0.073 0.000 2.478 207 I HA 0.332 4.514 4.170 0.020 0.000 0.287 207 I C -0.706 175.319 176.117 -0.153 0.000 1.042 207 I CA -0.662 60.530 61.300 -0.181 0.000 1.067 207 I CB 2.116 39.914 38.000 -0.336 0.000 1.233 207 I HN 0.533 nan 8.210 nan 0.000 0.431 208 N N 4.149 122.773 118.700 -0.126 0.000 3.455 208 N HA 0.280 5.032 4.740 0.020 0.000 0.358 208 N C 0.503 175.989 175.510 -0.039 0.000 1.580 208 N CA -0.803 52.208 53.050 -0.066 0.000 0.692 208 N CB 0.144 38.617 38.487 -0.023 0.000 1.978 208 N HN 0.413 nan 8.380 nan 0.000 0.651 209 E N -0.037 120.168 120.200 0.009 0.000 2.268 209 E HA -0.085 4.277 4.350 0.020 0.000 0.195 209 E C 0.937 177.578 176.600 0.068 0.000 0.995 209 E CA 1.102 57.529 56.400 0.046 0.000 0.836 209 E CB -0.359 29.366 29.700 0.040 0.000 0.763 209 E HN 0.605 nan 8.360 nan 0.000 0.491 210 L N 1.975 123.233 121.223 0.059 0.000 2.667 210 L HA 0.142 4.494 4.340 0.020 0.000 0.232 210 L C 0.715 177.645 176.870 0.101 0.000 1.138 210 L CA -0.047 54.845 54.840 0.086 0.000 0.921 210 L CB 0.100 42.209 42.059 0.082 0.000 1.180 210 L HN -0.021 nan 8.230 nan 0.000 0.487 211 T N -2.872 111.718 114.554 0.060 0.000 2.897 211 T HA 0.381 4.743 4.350 0.020 0.000 0.294 211 T C 1.058 175.878 174.700 0.199 0.000 1.004 211 T CA -0.645 61.486 62.100 0.052 0.000 1.106 211 T CB 2.379 71.170 68.868 -0.128 0.000 0.949 211 T HN -0.112 nan 8.240 nan 0.000 0.520 212 V N 2.099 122.075 119.914 0.103 0.000 2.735 212 V HA 0.368 4.500 4.120 0.020 0.000 0.234 212 V C 0.598 176.778 176.094 0.143 0.000 1.121 212 V CA 0.117 62.455 62.300 0.063 0.000 1.160 212 V CB -0.330 31.357 31.823 -0.227 0.000 0.908 212 V HN 0.745 nan 8.190 nan 0.000 0.495 213 L N 1.076 122.328 121.223 0.049 0.000 2.406 213 L HA 0.597 4.949 4.340 0.020 0.000 0.272 213 L C -1.529 175.457 176.870 0.193 0.000 0.980 213 L CA -0.353 54.571 54.840 0.139 0.000 0.831 213 L CB 2.332 44.404 42.059 0.022 0.000 1.253 213 L HN 0.031 nan 8.230 nan 0.000 0.406 214 V N 4.666 124.777 119.914 0.329 0.000 2.409 214 V HA 0.371 4.503 4.120 0.020 0.000 0.291 214 V C -0.355 175.905 176.094 0.278 0.000 1.020 214 V CA -0.594 61.876 62.300 0.284 0.000 0.848 214 V CB 2.093 34.122 31.823 0.343 0.000 0.990 214 V HN 0.428 nan 8.190 nan 0.000 0.430 215 L N 6.765 128.081 121.223 0.156 0.000 2.275 215 L HA 0.725 5.077 4.340 0.020 0.000 0.288 215 L C -0.490 176.483 176.870 0.172 0.000 1.046 215 L CA 0.276 55.158 54.840 0.071 0.000 0.805 215 L CB 1.554 43.526 42.059 -0.144 0.000 1.193 215 L HN 0.441 nan 8.230 nan 0.000 0.426 216 V N 6.044 126.103 119.914 0.241 0.000 2.656 216 V HA 0.679 4.811 4.120 0.020 0.000 0.307 216 V C -1.026 175.241 176.094 0.288 0.000 1.051 216 V CA -0.593 61.922 62.300 0.358 0.000 0.893 216 V CB 2.102 34.241 31.823 0.526 0.000 0.999 216 V HN 1.006 nan 8.190 nan 0.000 0.426 217 N N 2.202 121.086 118.700 0.306 0.000 2.446 217 N HA 0.589 5.341 4.740 0.020 0.000 0.272 217 N C -1.158 174.585 175.510 0.388 0.000 1.127 217 N CA -0.460 52.744 53.050 0.257 0.000 0.896 217 N CB 2.496 41.040 38.487 0.095 0.000 1.658 217 N HN 0.539 nan 8.380 nan 0.000 0.483 218 T N 0.372 115.105 114.554 0.297 0.000 2.830 218 T HA 0.531 4.893 4.350 0.020 0.000 0.322 218 T C -1.897 172.954 174.700 0.252 0.000 1.501 218 T CA -0.714 61.597 62.100 0.352 0.000 1.036 218 T CB 0.904 69.954 68.868 0.303 0.000 1.379 218 T HN 0.453 nan 8.240 nan 0.000 0.493 219 I N 3.660 124.413 120.570 0.304 0.000 2.436 219 I HA 0.376 4.558 4.170 0.020 0.000 0.289 219 I C -1.049 175.351 176.117 0.472 0.000 1.010 219 I CA -0.896 60.575 61.300 0.284 0.000 1.098 219 I CB 1.602 39.647 38.000 0.075 0.000 1.266 219 I HN 0.726 nan 8.210 nan 0.000 0.434 220 Y N 7.610 128.093 120.300 0.306 0.000 2.342 220 Y HA 0.582 5.144 4.550 0.019 0.000 0.334 220 Y C -1.488 174.623 175.900 0.350 0.000 1.067 220 Y CA -0.919 57.363 58.100 0.305 0.000 1.128 220 Y CB 1.366 39.971 38.460 0.242 0.000 1.200 220 Y HN 0.433 nan 8.280 nan 0.000 0.464 221 F N 6.552 126.103 119.950 -0.665 0.000 2.556 221 F HA 0.616 5.156 4.527 0.021 0.000 0.314 221 F C -1.757 173.529 175.800 -0.856 0.000 1.106 221 F CA -1.010 56.625 58.000 -0.609 0.000 0.911 221 F CB 1.588 40.477 39.000 -0.184 0.000 1.190 221 F HN 0.517 nan 8.300 nan 0.000 0.448 222 K N 4.136 123.789 120.400 -1.244 0.000 2.541 222 K HA 0.730 5.062 4.320 0.020 0.000 0.250 222 K C -1.217 174.700 176.600 -1.140 0.000 0.950 222 K CA -0.673 54.965 56.287 -1.081 0.000 0.805 222 K CB 1.719 33.934 32.500 -0.474 0.000 1.166 222 K HN 0.999 nan 8.250 nan 0.000 0.430 223 G N 3.147 111.209 108.800 -1.230 0.000 2.690 223 G HA2 0.541 4.513 3.960 0.020 0.000 0.293 223 G HA3 0.541 4.513 3.960 0.020 0.000 0.293 223 G C -1.705 173.063 174.900 -0.219 0.000 1.399 223 G CA -0.786 43.888 45.100 -0.710 0.000 0.890 223 G HN 0.465 nan 8.290 nan 0.000 0.485 224 L N 0.617 121.884 121.223 0.074 0.000 2.317 224 L HA 0.430 4.782 4.340 0.020 0.000 0.281 224 L C -0.043 177.029 176.870 0.336 0.000 1.024 224 L CA -0.795 54.122 54.840 0.128 0.000 0.810 224 L CB 1.600 43.716 42.059 0.095 0.000 1.240 224 L HN 0.631 nan 8.230 nan 0.000 0.427 225 W N 2.860 124.277 121.300 0.195 0.000 2.209 225 W HA -0.060 4.605 4.660 0.009 0.000 0.344 225 W C 1.529 178.080 176.519 0.054 0.000 1.285 225 W CA -0.242 57.127 57.345 0.040 0.000 1.267 225 W CB 0.668 30.150 29.460 0.037 0.000 1.167 225 W HN 0.600 nan 8.180 nan 0.000 0.574 226 K N 1.005 121.591 120.400 0.309 0.000 2.155 226 K HA -0.115 4.217 4.320 0.020 0.000 0.203 226 K C 0.865 177.512 176.600 0.079 0.000 1.052 226 K CA 1.244 57.628 56.287 0.161 0.000 0.948 226 K CB 0.029 32.596 32.500 0.111 0.000 0.728 226 K HN 0.201 nan 8.250 nan 0.000 0.448 227 S N 1.081 116.806 115.700 0.041 0.000 2.399 227 S HA 0.273 4.755 4.470 0.020 0.000 0.215 227 S C -1.128 173.389 174.600 -0.138 0.000 1.456 227 S CA -0.940 57.210 58.200 -0.084 0.000 1.199 227 S CB 0.267 63.346 63.200 -0.202 0.000 1.063 227 S HN 0.196 nan 8.310 nan 0.000 0.476 228 K N 2.189 122.601 120.400 0.021 0.000 2.344 228 K HA 0.205 4.537 4.320 0.020 0.000 0.260 228 K C -0.480 176.085 176.600 -0.058 0.000 0.988 228 K CA 0.329 56.694 56.287 0.130 0.000 0.909 228 K CB 0.289 32.909 32.500 0.201 0.000 0.968 228 K HN 0.430 nan 8.250 nan 0.000 0.505 229 F N -0.249 119.760 119.950 0.098 0.000 2.411 229 F HA 0.202 4.740 4.527 0.019 0.000 0.324 229 F C 0.949 176.791 175.800 0.070 0.000 1.086 229 F CA -0.612 57.414 58.000 0.044 0.000 1.028 229 F CB 1.479 40.505 39.000 0.043 0.000 1.284 229 F HN 0.386 nan 8.300 nan 0.000 0.501 230 S N 1.816 117.671 115.700 0.259 0.000 2.442 230 S HA 0.389 4.871 4.470 0.020 0.000 0.297 230 S C -2.072 172.628 174.600 0.166 0.000 1.131 230 S CA -1.562 56.740 58.200 0.171 0.000 1.092 230 S CB 1.424 64.698 63.200 0.124 0.000 0.998 230 S HN 0.250 nan 8.310 nan 0.000 0.478 231 P HA -0.149 nan 4.420 nan 0.000 0.216 231 P C 1.067 178.413 177.300 0.077 0.000 1.153 231 P CA 1.405 64.559 63.100 0.091 0.000 0.858 231 P CB 0.016 31.758 31.700 0.070 0.000 0.789 232 E N -0.496 119.747 120.200 0.071 0.000 2.169 232 E HA -0.217 4.145 4.350 0.020 0.000 0.202 232 E C 1.262 177.900 176.600 0.063 0.000 1.016 232 E CA 1.205 57.641 56.400 0.059 0.000 0.817 232 E CB -0.649 29.081 29.700 0.049 0.000 0.736 232 E HN 0.402 nan 8.360 nan 0.000 0.462 233 N N 0.363 119.121 118.700 0.096 0.000 2.398 233 N HA -0.019 4.733 4.740 0.020 0.000 0.188 233 N C -0.101 175.467 175.510 0.096 0.000 1.122 233 N CA 0.377 53.484 53.050 0.096 0.000 0.866 233 N CB 0.458 39.054 38.487 0.181 0.000 0.970 233 N HN -0.036 nan 8.380 nan 0.000 0.462 234 T N 3.035 117.645 114.554 0.093 0.000 2.779 234 T HA 0.197 4.559 4.350 0.020 0.000 0.296 234 T C 0.560 175.295 174.700 0.058 0.000 0.938 234 T CA -0.338 61.811 62.100 0.082 0.000 1.119 234 T CB 0.456 69.362 68.868 0.063 0.000 0.891 234 T HN 0.235 nan 8.240 nan 0.000 0.526 235 R N 2.633 123.172 120.500 0.065 0.000 2.513 235 R HA 0.449 4.802 4.340 0.020 0.000 0.301 235 R C -0.789 175.543 176.300 0.053 0.000 0.968 235 R CA -1.077 55.052 56.100 0.048 0.000 0.872 235 R CB 1.538 31.857 30.300 0.033 0.000 1.177 235 R HN 0.377 nan 8.270 nan 0.000 0.444 236 K N 2.244 122.666 120.400 0.037 0.000 2.473 236 K HA -0.115 4.217 4.320 0.020 0.000 0.277 236 K C -0.380 176.241 176.600 0.036 0.000 1.052 236 K CA 1.141 57.448 56.287 0.033 0.000 1.114 236 K CB 0.378 32.889 32.500 0.019 0.000 0.869 236 K HN 0.632 nan 8.250 nan 0.000 0.481 237 E N 3.870 124.096 120.200 0.044 0.000 2.390 237 E HA 0.194 4.556 4.350 0.020 0.000 0.277 237 E C -0.996 175.612 176.600 0.013 0.000 0.939 237 E CA -0.776 55.647 56.400 0.038 0.000 0.769 237 E CB 1.085 30.826 29.700 0.069 0.000 1.251 237 E HN 0.362 nan 8.360 nan 0.000 0.450 238 L N 3.716 124.906 121.223 -0.055 0.000 2.513 238 L HA 0.165 4.517 4.340 0.020 0.000 0.272 238 L C -0.122 176.580 176.870 -0.280 0.000 1.187 238 L CA 0.121 54.824 54.840 -0.227 0.000 0.895 238 L CB -0.050 41.742 42.059 -0.446 0.000 1.147 238 L HN 0.454 nan 8.230 nan 0.000 0.483 239 F N 4.056 123.789 119.950 -0.361 0.000 2.415 239 F HA 0.362 4.901 4.527 0.020 0.000 0.348 239 F C -0.526 175.053 175.800 -0.368 0.000 1.119 239 F CA -0.597 57.259 58.000 -0.241 0.000 1.069 239 F CB 0.690 39.647 39.000 -0.071 0.000 1.124 239 F HN 0.180 nan 8.300 nan 0.000 0.472 240 Y N 5.827 125.912 120.300 -0.358 0.000 2.477 240 Y HA 0.324 4.888 4.550 0.023 0.000 0.349 240 Y C 0.516 176.291 175.900 -0.208 0.000 0.977 240 Y CA -0.627 57.351 58.100 -0.203 0.000 1.214 240 Y CB 0.483 38.836 38.460 -0.179 0.000 1.124 240 Y HN 0.512 nan 8.280 nan 0.000 0.521 241 K N 1.114 121.594 120.400 0.134 0.000 2.143 241 K HA 0.310 4.642 4.320 0.020 0.000 0.239 241 K C 1.108 177.767 176.600 0.098 0.000 1.048 241 K CA 0.381 56.771 56.287 0.172 0.000 0.867 241 K CB 0.380 32.984 32.500 0.173 0.000 1.088 241 K HN 0.749 nan 8.250 nan 0.000 0.510 242 A N 1.032 123.905 122.820 0.088 0.000 2.072 242 A HA -0.083 4.249 4.320 0.020 0.000 0.216 242 A C 0.727 178.336 177.584 0.042 0.000 1.156 242 A CA 1.440 53.510 52.037 0.054 0.000 0.701 242 A CB -0.483 18.545 19.000 0.046 0.000 0.816 242 A HN 0.810 nan 8.150 nan 0.000 0.458 243 D N -1.381 119.048 120.400 0.048 0.000 2.519 243 D HA 0.348 5.000 4.640 0.020 0.000 0.238 243 D C 0.963 177.289 176.300 0.043 0.000 1.192 243 D CA 0.317 54.340 54.000 0.038 0.000 0.835 243 D CB -0.935 39.885 40.800 0.034 0.000 0.975 243 D HN 0.455 nan 8.370 nan 0.000 0.490 244 G N -0.087 108.743 108.800 0.049 0.000 2.258 244 G HA2 -0.321 3.651 3.960 0.020 0.000 0.274 244 G HA3 -0.321 3.651 3.960 0.020 0.000 0.274 244 G C -0.167 174.781 174.900 0.081 0.000 1.021 244 G CA 0.216 45.348 45.100 0.054 0.000 0.798 244 G HN 0.507 nan 8.290 nan 0.000 0.507 245 E N -0.064 120.197 120.200 0.101 0.000 2.256 245 E HA 0.475 4.837 4.350 0.020 0.000 0.268 245 E C 0.561 177.225 176.600 0.106 0.000 0.877 245 E CA -0.115 56.345 56.400 0.099 0.000 0.757 245 E CB 1.706 31.443 29.700 0.062 0.000 1.183 245 E HN 0.397 nan 8.360 nan 0.000 0.418 246 S N 1.292 117.041 115.700 0.081 0.000 2.617 246 S HA 0.338 4.820 4.470 0.020 0.000 0.255 246 S C 0.054 174.610 174.600 -0.074 0.000 1.318 246 S CA -0.449 57.678 58.200 -0.120 0.000 0.978 246 S CB 1.168 64.269 63.200 -0.165 0.000 0.961 246 S HN 0.646 nan 8.310 nan 0.000 0.582 247 c N 0.566 119.093 118.600 -0.121 0.000 3.254 247 c HA 0.533 5.115 4.570 0.020 0.000 0.405 247 c C -0.352 173.721 174.090 -0.029 0.000 1.027 247 c CA -0.327 55.986 56.329 -0.026 0.000 1.192 247 c CB 0.744 43.290 42.510 0.059 0.000 1.567 247 c HN 1.081 nan 8.230 nan 0.000 0.582 248 S N 3.515 119.203 115.700 -0.020 0.000 2.416 248 S HA 0.650 5.132 4.470 0.020 0.000 0.302 248 S C 0.159 174.758 174.600 -0.001 0.000 1.120 248 S CA 0.399 58.592 58.200 -0.012 0.000 1.067 248 S CB -0.201 62.993 63.200 -0.010 0.000 1.057 248 S HN 1.450 nan 8.310 nan 0.000 0.518 249 A N 4.183 127.019 122.820 0.027 0.000 2.337 249 A HA 0.686 5.018 4.320 0.020 0.000 0.331 249 A C 0.217 177.831 177.584 0.050 0.000 1.137 249 A CA -0.728 51.329 52.037 0.033 0.000 0.807 249 A CB 1.172 20.222 19.000 0.083 0.000 1.250 249 A HN 0.673 nan 8.150 nan 0.000 0.468 250 S N 1.650 117.375 115.700 0.042 0.000 3.072 250 S HA 0.233 4.715 4.470 0.020 0.000 0.306 250 S C 0.039 174.678 174.600 0.065 0.000 1.207 250 S CA -0.068 58.159 58.200 0.044 0.000 1.008 250 S CB -0.862 62.352 63.200 0.023 0.000 1.390 250 S HN 0.600 nan 8.310 nan 0.000 0.523 251 M N 4.283 123.940 119.600 0.096 0.000 2.217 251 M HA 0.329 4.821 4.480 0.020 0.000 0.354 251 M C -0.264 176.095 176.300 0.098 0.000 1.225 251 M CA 0.562 55.940 55.300 0.130 0.000 1.137 251 M CB 0.213 32.931 32.600 0.196 0.000 1.576 251 M HN 0.456 nan 8.290 nan 0.000 0.461 252 M N 3.846 123.462 119.600 0.026 0.000 2.528 252 M HA 0.410 4.902 4.480 0.020 0.000 0.318 252 M C -1.328 175.059 176.300 0.145 0.000 1.195 252 M CA -0.722 54.554 55.300 -0.039 0.000 1.000 252 M CB 1.699 33.984 32.600 -0.525 0.000 1.615 252 M HN 0.668 nan 8.290 nan 0.000 0.469 253 Y N 1.546 121.933 120.300 0.144 0.000 2.470 253 Y HA 0.499 5.059 4.550 0.015 0.000 0.341 253 Y C -1.308 174.690 175.900 0.163 0.000 1.021 253 Y CA -0.464 57.668 58.100 0.053 0.000 1.025 253 Y CB 1.693 40.099 38.460 -0.091 0.000 1.266 253 Y HN 0.741 nan 8.280 nan 0.000 0.448 254 Q N 3.098 122.535 119.800 -0.606 0.000 2.578 254 Q HA 0.501 4.853 4.340 0.020 0.000 0.284 254 Q C -2.140 173.515 176.000 -0.574 0.000 0.960 254 Q CA -1.053 54.447 55.803 -0.504 0.000 0.809 254 Q CB 2.260 30.717 28.738 -0.468 0.000 1.462 254 Q HN 0.720 nan 8.270 nan 0.000 0.392 255 E N -0.088 119.900 120.200 -0.354 0.000 2.227 255 E HA 0.870 5.233 4.350 0.020 0.000 0.268 255 E C -0.722 175.769 176.600 -0.182 0.000 0.907 255 E CA -0.368 55.895 56.400 -0.229 0.000 0.786 255 E CB 2.195 31.795 29.700 -0.166 0.000 1.191 255 E HN 0.861 nan 8.360 nan 0.000 0.411 256 G N 1.246 109.944 108.800 -0.171 0.000 2.320 256 G HA2 0.148 4.120 3.960 0.020 0.000 0.296 256 G HA3 0.148 4.120 3.960 0.020 0.000 0.296 256 G C -1.483 173.134 174.900 -0.472 0.000 1.306 256 G CA -0.927 43.946 45.100 -0.378 0.000 0.836 256 G HN 0.267 nan 8.290 nan 0.000 0.517 257 K N 0.460 120.473 120.400 -0.645 0.000 2.263 257 K HA 0.550 4.882 4.320 0.020 0.000 0.282 257 K C -1.233 174.926 176.600 -0.735 0.000 1.089 257 K CA -0.135 55.859 56.287 -0.488 0.000 0.907 257 K CB 0.247 32.539 32.500 -0.346 0.000 1.148 257 K HN 0.248 nan 8.250 nan 0.000 0.470 258 F N 1.456 121.318 119.950 -0.146 0.000 2.577 258 F HA 0.437 4.975 4.527 0.018 0.000 0.318 258 F C 0.491 176.252 175.800 -0.066 0.000 1.065 258 F CA -1.052 56.865 58.000 -0.139 0.000 0.929 258 F CB 1.271 40.147 39.000 -0.206 0.000 1.237 258 F HN 0.192 nan 8.300 nan 0.000 0.468 259 R N 1.582 122.176 120.500 0.155 0.000 2.347 259 R HA 0.349 4.701 4.340 0.020 0.000 0.304 259 R C -1.461 174.930 176.300 0.151 0.000 1.072 259 R CA -0.187 55.981 56.100 0.113 0.000 0.980 259 R CB 0.501 30.844 30.300 0.072 0.000 0.986 259 R HN 0.693 nan 8.270 nan 0.000 0.448 260 Y N 1.553 121.845 120.300 -0.014 0.000 2.609 260 Y HA 0.572 5.135 4.550 0.021 0.000 0.336 260 Y C -1.536 174.348 175.900 -0.027 0.000 1.129 260 Y CA -1.322 56.752 58.100 -0.043 0.000 1.040 260 Y CB 1.867 40.295 38.460 -0.054 0.000 1.310 260 Y HN 0.552 nan 8.280 nan 0.000 0.460 261 R N 2.896 122.848 120.500 -0.914 0.000 2.604 261 R HA 0.399 4.751 4.340 0.020 0.000 0.261 261 R C -2.218 173.557 176.300 -0.875 0.000 1.080 261 R CA -0.694 54.964 56.100 -0.736 0.000 0.917 261 R CB 1.398 31.515 30.300 -0.305 0.000 1.252 261 R HN 0.867 nan 8.270 nan 0.000 0.456 262 R N 3.584 123.748 120.500 -0.560 0.000 2.202 262 R HA 0.435 4.787 4.340 0.020 0.000 0.334 262 R C 0.168 176.308 176.300 -0.267 0.000 1.036 262 R CA -0.374 55.524 56.100 -0.336 0.000 0.878 262 R CB 0.567 30.799 30.300 -0.113 0.000 1.067 262 R HN 0.536 nan 8.270 nan 0.000 0.457 263 V N 1.474 121.181 119.914 -0.345 0.000 3.602 263 V HA 0.695 4.827 4.120 0.020 0.000 0.285 263 V C 0.285 176.284 176.094 -0.158 0.000 1.187 263 V CA -0.873 61.240 62.300 -0.313 0.000 0.940 263 V CB 0.662 32.074 31.823 -0.685 0.000 1.250 263 V HN 0.824 nan 8.190 nan 0.000 0.455 264 A N -0.088 122.711 122.820 -0.037 0.000 2.598 264 A HA 0.142 4.474 4.320 0.020 0.000 0.239 264 A C 0.770 178.365 177.584 0.018 0.000 1.032 264 A CA 1.141 53.207 52.037 0.050 0.000 0.760 264 A CB -1.324 17.781 19.000 0.175 0.000 0.946 264 A HN 1.294 nan 8.150 nan 0.000 0.512 265 E N 0.740 120.950 120.200 0.017 0.000 2.297 265 E HA -0.254 4.108 4.350 0.020 0.000 0.228 265 E C 1.095 177.687 176.600 -0.014 0.000 1.213 265 E CA 1.117 57.523 56.400 0.011 0.000 0.712 265 E CB -1.567 28.155 29.700 0.037 0.000 1.202 265 E HN 2.351 nan 8.360 nan 0.000 0.376 266 G N -0.302 108.476 108.800 -0.037 0.000 2.189 266 G HA2 -0.370 3.602 3.960 0.020 0.000 0.267 266 G HA3 -0.370 3.602 3.960 0.020 0.000 0.267 266 G C 0.362 175.214 174.900 -0.080 0.000 0.975 266 G CA 0.711 45.782 45.100 -0.048 0.000 0.644 266 G HN 0.395 nan 8.290 nan 0.000 0.537 267 T N 1.429 115.905 114.554 -0.130 0.000 2.888 267 T HA 0.434 4.796 4.350 0.020 0.000 0.301 267 T C 0.369 174.921 174.700 -0.245 0.000 1.001 267 T CA 0.284 62.272 62.100 -0.188 0.000 1.147 267 T CB 1.198 69.893 68.868 -0.289 0.000 0.931 267 T HN 0.446 nan 8.240 nan 0.000 0.541 268 Q N 1.995 121.729 119.800 -0.111 0.000 2.290 268 Q HA 0.512 4.864 4.340 0.020 0.000 0.259 268 Q C -0.822 175.211 176.000 0.055 0.000 0.941 268 Q CA -0.699 55.097 55.803 -0.011 0.000 0.912 268 Q CB 1.626 30.557 28.738 0.322 0.000 1.244 268 Q HN 0.421 nan 8.270 nan 0.000 0.441 269 V N 3.898 123.701 119.914 -0.185 0.000 2.459 269 V HA 0.508 4.640 4.120 0.020 0.000 0.295 269 V C -0.769 175.264 176.094 -0.102 0.000 1.029 269 V CA -0.795 61.443 62.300 -0.104 0.000 0.874 269 V CB 1.570 33.271 31.823 -0.203 0.000 0.985 269 V HN 0.549 nan 8.190 nan 0.000 0.438 270 L N 3.893 125.055 121.223 -0.100 0.000 2.436 270 L HA 0.645 4.997 4.340 0.020 0.000 0.268 270 L C -0.632 176.149 176.870 -0.149 0.000 0.974 270 L CA -0.213 54.483 54.840 -0.240 0.000 0.826 270 L CB 2.108 43.644 42.059 -0.873 0.000 1.291 270 L HN 0.823 nan 8.230 nan 0.000 0.406 271 E N 4.987 125.137 120.200 -0.084 0.000 2.129 271 E HA 0.531 4.893 4.350 0.020 0.000 0.268 271 E C -1.740 174.839 176.600 -0.036 0.000 0.900 271 E CA -0.508 55.886 56.400 -0.011 0.000 0.755 271 E CB 1.057 30.791 29.700 0.057 0.000 1.117 271 E HN 0.714 nan 8.360 nan 0.000 0.410 272 L N 7.477 128.648 121.223 -0.087 0.000 2.337 272 L HA 0.459 4.811 4.340 0.020 0.000 0.269 272 L C -2.181 174.672 176.870 -0.028 0.000 1.018 272 L CA -2.120 52.606 54.840 -0.191 0.000 0.876 272 L CB 1.144 42.844 42.059 -0.599 0.000 1.236 272 L HN 0.435 nan 8.230 nan 0.000 0.436 273 P HA 0.214 nan 4.420 nan 0.000 0.277 273 P C -0.823 176.559 177.300 0.137 0.000 1.240 273 P CA -0.166 63.012 63.100 0.130 0.000 0.798 273 P CB 0.916 32.697 31.700 0.134 0.000 0.979 274 F N -0.126 120.021 119.950 0.329 0.000 2.408 274 F HA 0.215 4.753 4.527 0.018 0.000 0.325 274 F C 1.285 177.209 175.800 0.206 0.000 1.082 274 F CA -0.404 57.785 58.000 0.313 0.000 1.032 274 F CB 0.760 39.945 39.000 0.310 0.000 1.259 274 F HN -0.011 nan 8.300 nan 0.000 0.503 275 K N 0.731 121.357 120.400 0.376 0.000 2.491 275 K HA 0.376 4.708 4.320 0.020 0.000 0.279 275 K C 0.832 177.550 176.600 0.197 0.000 1.026 275 K CA 0.647 57.068 56.287 0.222 0.000 1.070 275 K CB -0.197 32.403 32.500 0.167 0.000 0.887 275 K HN 1.034 nan 8.250 nan 0.000 0.481 276 G N 0.953 109.840 108.800 0.145 0.000 2.424 276 G HA2 -0.255 3.717 3.960 0.020 0.000 0.207 276 G HA3 -0.255 3.717 3.960 0.020 0.000 0.207 276 G C 0.450 175.419 174.900 0.116 0.000 1.061 276 G CA 0.368 45.539 45.100 0.119 0.000 0.657 276 G HN 0.730 nan 8.290 nan 0.000 0.508 277 D N 0.332 120.825 120.400 0.155 0.000 2.384 277 D HA -0.193 4.459 4.640 0.020 0.000 0.170 277 D C 1.256 177.639 176.300 0.137 0.000 1.010 277 D CA 1.822 55.905 54.000 0.138 0.000 1.035 277 D CB -1.436 39.416 40.800 0.087 0.000 1.093 277 D HN 0.641 nan 8.370 nan 0.000 0.476 278 D N 1.349 121.827 120.400 0.131 0.000 2.097 278 D HA -0.072 4.580 4.640 0.020 0.000 0.197 278 D C 1.282 177.653 176.300 0.118 0.000 0.984 278 D CA 0.865 54.925 54.000 0.100 0.000 0.826 278 D CB -0.108 40.734 40.800 0.071 0.000 0.973 278 D HN 0.385 nan 8.370 nan 0.000 0.460 279 I N 0.834 121.513 120.570 0.182 0.000 2.377 279 I HA 0.299 4.481 4.170 0.020 0.000 0.293 279 I C 0.079 176.473 176.117 0.461 0.000 0.987 279 I CA -0.533 60.889 61.300 0.204 0.000 1.185 279 I CB 1.936 39.980 38.000 0.072 0.000 1.341 279 I HN 0.024 nan 8.210 nan 0.000 0.455 280 T N 2.927 117.731 114.554 0.416 0.000 2.887 280 T HA 0.635 4.997 4.350 0.020 0.000 0.292 280 T C -0.648 174.340 174.700 0.480 0.000 1.087 280 T CA -0.936 61.431 62.100 0.446 0.000 1.009 280 T CB 2.123 71.138 68.868 0.244 0.000 1.203 280 T HN 0.541 nan 8.240 nan 0.000 0.518 281 M N 2.869 122.706 119.600 0.395 0.000 2.072 281 M HA 0.571 5.063 4.480 0.020 0.000 0.331 281 M C -1.576 174.903 176.300 0.298 0.000 1.004 281 M CA -0.669 54.892 55.300 0.435 0.000 0.952 281 M CB 0.756 33.687 32.600 0.552 0.000 1.511 281 M HN 0.585 nan 8.290 nan 0.000 0.422 282 V N 6.202 126.311 119.914 0.324 0.000 2.509 282 V HA 0.419 4.551 4.120 0.020 0.000 0.284 282 V C -0.100 176.209 176.094 0.358 0.000 1.047 282 V CA -0.584 61.877 62.300 0.268 0.000 0.952 282 V CB 1.437 33.404 31.823 0.239 0.000 0.988 282 V HN 0.768 nan 8.190 nan 0.000 0.469 283 L N 5.403 126.780 121.223 0.256 0.000 2.333 283 L HA 0.551 4.903 4.340 0.020 0.000 0.280 283 L C -0.874 176.219 176.870 0.372 0.000 1.004 283 L CA -0.598 54.445 54.840 0.339 0.000 0.820 283 L CB 1.832 44.020 42.059 0.216 0.000 1.247 283 L HN 0.421 nan 8.230 nan 0.000 0.416 284 I N 5.191 126.030 120.570 0.448 0.000 2.321 284 I HA 0.373 4.556 4.170 0.020 0.000 0.291 284 I C -0.429 175.895 176.117 0.345 0.000 0.998 284 I CA -0.574 60.946 61.300 0.368 0.000 1.227 284 I CB 1.522 39.796 38.000 0.457 0.000 1.368 284 I HN 0.333 nan 8.210 nan 0.000 0.466 285 L N 10.052 131.414 121.223 0.231 0.000 2.441 285 L HA 0.749 5.102 4.340 0.020 0.000 0.270 285 L C -2.861 174.020 176.870 0.017 0.000 0.973 285 L CA -1.592 53.322 54.840 0.123 0.000 0.842 285 L CB 2.342 44.341 42.059 -0.101 0.000 1.239 285 L HN 0.194 nan 8.230 nan 0.000 0.406 286 P HA 0.336 nan 4.420 nan 0.000 0.285 286 P C -1.278 176.003 177.300 -0.032 0.000 1.269 286 P CA -0.719 62.385 63.100 0.005 0.000 0.844 286 P CB 0.845 32.575 31.700 0.049 0.000 1.094 287 K N 1.930 122.309 120.400 -0.035 0.000 2.455 287 K HA 0.020 4.352 4.320 0.020 0.000 0.269 287 K C -1.896 174.674 176.600 -0.049 0.000 0.972 287 K CA -0.720 55.539 56.287 -0.047 0.000 0.938 287 K CB -0.971 31.507 32.500 -0.036 0.000 0.931 287 K HN 0.161 nan 8.250 nan 0.000 0.507 288 P HA -0.201 nan 4.420 nan 0.000 0.215 288 P C 0.598 177.862 177.300 -0.060 0.000 1.153 288 P CA 1.525 64.577 63.100 -0.080 0.000 0.853 288 P CB 0.076 31.712 31.700 -0.106 0.000 0.788 289 E N -0.011 120.160 120.200 -0.048 0.000 2.038 289 E HA -0.156 4.206 4.350 0.020 0.000 0.195 289 E C 1.130 177.720 176.600 -0.016 0.000 1.000 289 E CA 0.855 57.236 56.400 -0.032 0.000 0.803 289 E CB -0.420 29.264 29.700 -0.027 0.000 0.750 289 E HN 0.238 nan 8.360 nan 0.000 0.448 290 K N 1.139 121.535 120.400 -0.008 0.000 2.180 290 K HA 0.121 4.453 4.320 0.020 0.000 0.251 290 K C -0.416 176.193 176.600 0.016 0.000 1.014 290 K CA -0.122 56.172 56.287 0.010 0.000 0.913 290 K CB 1.164 33.678 32.500 0.023 0.000 1.008 290 K HN -0.085 nan 8.250 nan 0.000 0.490 291 S N 2.564 118.282 115.700 0.030 0.000 2.451 291 S HA 0.148 4.630 4.470 0.020 0.000 0.301 291 S C 0.829 175.466 174.600 0.060 0.000 1.116 291 S CA -0.867 57.354 58.200 0.036 0.000 1.093 291 S CB 1.046 64.265 63.200 0.031 0.000 1.017 291 S HN 0.630 nan 8.310 nan 0.000 0.482 292 L N 6.843 128.106 121.223 0.066 0.000 1.971 292 L HA -0.025 4.328 4.340 0.020 0.000 0.215 292 L C 2.503 179.435 176.870 0.102 0.000 1.072 292 L CA 2.898 57.796 54.840 0.097 0.000 0.758 292 L CB -1.485 40.629 42.059 0.093 0.000 0.889 292 L HN 0.893 nan 8.230 nan 0.000 0.433 293 A N -0.369 122.495 122.820 0.074 0.000 1.894 293 A HA -0.378 3.954 4.320 0.020 0.000 0.220 293 A C 2.327 179.951 177.584 0.066 0.000 1.237 293 A CA 2.836 54.908 52.037 0.058 0.000 0.660 293 A CB -0.874 18.144 19.000 0.031 0.000 0.835 293 A HN 0.602 nan 8.150 nan 0.000 0.461 294 K N -0.986 119.451 120.400 0.062 0.000 2.044 294 K HA -0.130 4.202 4.320 0.020 0.000 0.210 294 K C 1.971 178.631 176.600 0.100 0.000 1.049 294 K CA 1.565 57.892 56.287 0.067 0.000 0.927 294 K CB -0.614 31.921 32.500 0.058 0.000 0.713 294 K HN 0.346 nan 8.250 nan 0.000 0.443 295 V N 2.167 122.159 119.914 0.131 0.000 2.343 295 V HA -0.245 3.887 4.120 0.020 0.000 0.247 295 V C 2.123 178.334 176.094 0.195 0.000 1.051 295 V CA 1.733 64.148 62.300 0.192 0.000 1.036 295 V CB -0.424 31.543 31.823 0.239 0.000 0.654 295 V HN 0.367 nan 8.190 nan 0.000 0.451 296 E N 0.083 120.394 120.200 0.184 0.000 2.070 296 E HA -0.311 4.051 4.350 0.020 0.000 0.197 296 E C 2.219 178.911 176.600 0.153 0.000 1.004 296 E CA 1.625 58.150 56.400 0.209 0.000 0.805 296 E CB -0.284 29.534 29.700 0.198 0.000 0.744 296 E HN 0.610 nan 8.360 nan 0.000 0.451 297 K N 0.740 121.198 120.400 0.096 0.000 2.147 297 K HA -0.153 4.179 4.320 0.020 0.000 0.205 297 K C 1.844 178.479 176.600 0.059 0.000 1.049 297 K CA 1.254 57.578 56.287 0.061 0.000 0.936 297 K CB -0.076 32.445 32.500 0.034 0.000 0.722 297 K HN 0.242 nan 8.250 nan 0.000 0.446 298 E N 0.864 121.108 120.200 0.073 0.000 2.481 298 E HA 0.029 4.391 4.350 0.020 0.000 0.195 298 E C 0.091 176.697 176.600 0.009 0.000 1.047 298 E CA -0.139 56.291 56.400 0.050 0.000 0.867 298 E CB 0.073 29.819 29.700 0.077 0.000 0.858 298 E HN 0.211 nan 8.360 nan 0.000 0.513 299 L N 2.221 123.465 121.223 0.035 0.000 2.601 299 L HA -0.006 4.346 4.340 0.020 0.000 0.277 299 L C 0.063 176.902 176.870 -0.052 0.000 1.219 299 L CA 0.744 55.575 54.840 -0.015 0.000 0.915 299 L CB 0.323 42.444 42.059 0.103 0.000 1.160 299 L HN 0.032 nan 8.230 nan 0.000 0.494 300 T N 4.518 118.986 114.554 -0.143 0.000 2.909 300 T HA 0.304 4.666 4.350 0.020 0.000 0.299 300 T C -1.921 172.679 174.700 -0.166 0.000 1.073 300 T CA -0.953 61.076 62.100 -0.118 0.000 0.999 300 T CB 2.383 71.177 68.868 -0.123 0.000 1.098 300 T HN 0.265 nan 8.240 nan 0.000 0.477 301 P HA -0.028 nan 4.420 nan 0.000 0.220 301 P C 0.879 178.084 177.300 -0.158 0.000 1.148 301 P CA 0.970 63.986 63.100 -0.139 0.000 0.803 301 P CB 0.347 31.986 31.700 -0.102 0.000 0.782 302 E N -0.930 119.185 120.200 -0.141 0.000 2.112 302 E HA -0.073 4.289 4.350 0.020 0.000 0.190 302 E C 2.052 178.537 176.600 -0.193 0.000 0.979 302 E CA 0.540 56.864 56.400 -0.126 0.000 0.814 302 E CB -1.313 28.336 29.700 -0.086 0.000 0.762 302 E HN -0.028 nan 8.360 nan 0.000 0.460 303 V N 0.521 120.267 119.914 -0.279 0.000 2.295 303 V HA -0.226 3.906 4.120 0.020 0.000 0.246 303 V C 2.093 177.709 176.094 -0.796 0.000 1.049 303 V CA 1.368 63.374 62.300 -0.491 0.000 1.024 303 V CB -0.277 31.252 31.823 -0.489 0.000 0.648 303 V HN 0.215 nan 8.190 nan 0.000 0.447 304 L N -0.364 120.473 121.223 -0.644 0.000 2.017 304 L HA -0.203 4.149 4.340 0.020 0.000 0.208 304 L C 2.502 179.234 176.870 -0.230 0.000 1.073 304 L CA 2.176 56.716 54.840 -0.501 0.000 0.745 304 L CB -0.797 41.028 42.059 -0.390 0.000 0.894 304 L HN 0.390 nan 8.230 nan 0.000 0.432 305 Q N -0.182 119.511 119.800 -0.177 0.000 2.135 305 Q HA -0.206 4.146 4.340 0.020 0.000 0.204 305 Q C 2.166 178.160 176.000 -0.010 0.000 0.981 305 Q CA 2.317 58.080 55.803 -0.067 0.000 0.856 305 Q CB -0.229 28.483 28.738 -0.043 0.000 0.902 305 Q HN 0.612 nan 8.270 nan 0.000 0.425 306 E N -0.767 119.413 120.200 -0.033 0.000 2.106 306 E HA -0.170 4.192 4.350 0.020 0.000 0.192 306 E C 1.558 178.270 176.600 0.185 0.000 0.984 306 E CA 1.301 57.733 56.400 0.053 0.000 0.806 306 E CB -1.226 28.498 29.700 0.039 0.000 0.750 306 E HN 0.567 nan 8.360 nan 0.000 0.458 307 W N 0.701 121.985 121.300 -0.027 0.000 2.317 307 W HA -0.101 4.572 4.660 0.020 0.000 0.318 307 W C 2.370 178.865 176.519 -0.040 0.000 1.227 307 W CA 1.190 58.514 57.345 -0.036 0.000 1.269 307 W CB -1.345 28.093 29.460 -0.038 0.000 1.155 307 W HN 0.295 nan 8.180 nan 0.000 0.484 308 L N -0.039 121.300 121.223 0.194 0.000 2.013 308 L HA -0.264 4.088 4.340 0.020 0.000 0.212 308 L C 2.014 178.929 176.870 0.075 0.000 1.073 308 L CA 1.733 56.632 54.840 0.099 0.000 0.753 308 L CB -1.175 40.921 42.059 0.061 0.000 0.890 308 L HN -0.081 nan 8.230 nan 0.000 0.432 309 D N -0.270 120.176 120.400 0.077 0.000 2.263 309 D HA -0.195 4.457 4.640 0.020 0.000 0.208 309 D C 1.987 178.319 176.300 0.053 0.000 0.971 309 D CA 0.970 55.005 54.000 0.059 0.000 0.867 309 D CB -0.060 40.772 40.800 0.054 0.000 0.929 309 D HN 0.454 nan 8.370 nan 0.000 0.492 310 E N -0.309 119.930 120.200 0.064 0.000 2.371 310 E HA 0.032 4.394 4.350 0.020 0.000 0.194 310 E C 0.477 177.080 176.600 0.005 0.000 1.012 310 E CA -0.147 56.274 56.400 0.035 0.000 0.860 310 E CB 0.264 29.986 29.700 0.036 0.000 0.811 310 E HN 0.223 nan 8.360 nan 0.000 0.502 311 L N 1.505 122.735 121.223 0.011 0.000 2.483 311 L HA 0.120 4.472 4.340 0.020 0.000 0.276 311 L C 0.078 176.962 176.870 0.023 0.000 1.213 311 L CA 0.290 55.132 54.840 0.003 0.000 0.843 311 L CB 0.356 42.426 42.059 0.019 0.000 1.107 311 L HN -0.000 nan 8.230 nan 0.000 0.487 312 E N 1.329 121.553 120.200 0.040 0.000 2.354 312 E HA 0.186 4.548 4.350 0.020 0.000 0.283 312 E C -1.343 175.292 176.600 0.059 0.000 0.938 312 E CA -0.609 55.817 56.400 0.043 0.000 0.777 312 E CB 1.315 31.037 29.700 0.036 0.000 1.222 312 E HN 0.429 nan 8.360 nan 0.000 0.423 313 E N 3.643 123.860 120.200 0.029 0.000 2.558 313 E HA 0.066 4.429 4.350 0.020 0.000 0.255 313 E C -0.194 176.411 176.600 0.008 0.000 0.968 313 E CA 0.629 57.033 56.400 0.007 0.000 0.939 313 E CB 0.563 30.244 29.700 -0.031 0.000 0.921 313 E HN 0.415 nan 8.360 nan 0.000 0.477 314 M N 2.810 122.411 119.600 0.001 0.000 2.470 314 M HA 0.244 4.736 4.480 0.020 0.000 0.285 314 M C -1.306 174.953 176.300 -0.069 0.000 1.213 314 M CA -0.835 54.454 55.300 -0.017 0.000 0.901 314 M CB 2.149 34.763 32.600 0.024 0.000 1.718 314 M HN 0.353 nan 8.290 nan 0.000 0.469 315 M N 5.610 125.162 119.600 -0.081 0.000 2.264 315 M HA 0.301 4.793 4.480 0.020 0.000 0.340 315 M C -1.278 174.964 176.300 -0.096 0.000 1.420 315 M CA -0.220 55.018 55.300 -0.102 0.000 1.254 315 M CB -0.635 31.912 32.600 -0.089 0.000 1.575 315 M HN 0.515 nan 8.290 nan 0.000 0.452 316 L N 3.030 124.195 121.223 -0.097 0.000 2.277 316 L HA 0.826 5.178 4.340 0.020 0.000 0.254 316 L C -0.538 176.271 176.870 -0.102 0.000 1.044 316 L CA -1.239 53.528 54.840 -0.121 0.000 0.842 316 L CB 0.203 42.119 42.059 -0.239 0.000 1.422 316 L HN 0.178 nan 8.230 nan 0.000 0.422 317 V N 0.725 120.578 119.914 -0.102 0.000 2.407 317 V HA 0.655 4.788 4.120 0.020 0.000 0.278 317 V C -0.075 175.955 176.094 -0.107 0.000 1.037 317 V CA -0.594 61.621 62.300 -0.141 0.000 0.900 317 V CB 1.243 33.049 31.823 -0.028 0.000 0.983 317 V HN 0.542 nan 8.190 nan 0.000 0.459 318 V N 4.752 124.535 119.914 -0.219 0.000 2.417 318 V HA 0.476 4.608 4.120 0.020 0.000 0.291 318 V C -0.686 175.362 176.094 -0.077 0.000 1.024 318 V CA -0.565 61.679 62.300 -0.093 0.000 0.861 318 V CB 1.511 33.177 31.823 -0.261 0.000 0.985 318 V HN 0.954 nan 8.190 nan 0.000 0.436 319 H N 4.493 123.636 119.070 0.120 0.000 2.495 319 H HA 0.822 5.389 4.556 0.018 0.000 0.348 319 H C -0.239 175.161 175.328 0.120 0.000 1.113 319 H CA -0.524 55.617 56.048 0.154 0.000 1.195 319 H CB 1.727 31.593 29.762 0.173 0.000 1.521 319 H HN 0.657 nan 8.280 nan 0.000 0.509 320 M N 3.448 123.148 119.600 0.168 0.000 2.307 320 M HA 0.347 4.839 4.480 0.020 0.000 0.279 320 M C -3.334 173.006 176.300 0.066 0.000 1.080 320 M CA -1.665 53.686 55.300 0.087 0.000 0.964 320 M CB 2.335 34.941 32.600 0.011 0.000 1.825 320 M HN 0.312 nan 8.290 nan 0.000 0.489 321 P HA 0.313 nan 4.420 nan 0.000 0.275 321 P C -1.273 176.160 177.300 0.222 0.000 1.228 321 P CA -0.080 63.166 63.100 0.243 0.000 0.786 321 P CB 0.402 32.311 31.700 0.349 0.000 0.927 322 R N 2.085 122.631 120.500 0.077 0.000 2.560 322 R HA 0.702 5.054 4.340 0.020 0.000 0.270 322 R C -0.178 176.185 176.300 0.106 0.000 1.074 322 R CA -0.245 55.832 56.100 -0.038 0.000 1.140 322 R CB 0.066 30.322 30.300 -0.075 0.000 1.073 322 R HN 0.513 nan 8.270 nan 0.000 0.527 323 F N -2.339 117.604 119.950 -0.011 0.000 2.672 323 F HA 0.493 5.034 4.527 0.023 0.000 0.311 323 F C -1.278 174.481 175.800 -0.067 0.000 1.113 323 F CA -1.286 56.686 58.000 -0.047 0.000 0.996 323 F CB 1.624 40.599 39.000 -0.041 0.000 1.286 323 F HN 0.351 nan 8.300 nan 0.000 0.441 324 R N 3.546 124.138 120.500 0.154 0.000 2.451 324 R HA 0.791 5.143 4.340 0.020 0.000 0.307 324 R C -1.772 174.566 176.300 0.063 0.000 0.965 324 R CA -0.647 55.491 56.100 0.063 0.000 0.865 324 R CB 1.610 31.923 30.300 0.022 0.000 1.174 324 R HN 0.845 nan 8.270 nan 0.000 0.455 325 I N 2.754 123.342 120.570 0.030 0.000 2.466 325 I HA 0.326 4.508 4.170 0.020 0.000 0.289 325 I C -0.668 175.497 176.117 0.080 0.000 1.026 325 I CA -0.740 60.571 61.300 0.019 0.000 1.078 325 I CB 2.399 40.382 38.000 -0.028 0.000 1.249 325 I HN 0.458 nan 8.210 nan 0.000 0.429 326 E N 4.228 124.494 120.200 0.109 0.000 2.176 326 E HA 0.467 4.829 4.350 0.020 0.000 0.267 326 E C -1.613 175.071 176.600 0.139 0.000 0.893 326 E CA -0.627 55.870 56.400 0.161 0.000 0.761 326 E CB 2.235 32.001 29.700 0.110 0.000 1.133 326 E HN 0.386 nan 8.360 nan 0.000 0.409 327 D N 1.191 121.714 120.400 0.205 0.000 2.649 327 D HA 0.516 5.168 4.640 0.020 0.000 0.249 327 D C -0.959 175.365 176.300 0.040 0.000 1.112 327 D CA -0.304 53.746 54.000 0.084 0.000 0.850 327 D CB 1.783 42.705 40.800 0.204 0.000 1.399 327 D HN 0.436 nan 8.370 nan 0.000 0.503 328 G N 1.435 110.139 108.800 -0.159 0.000 2.513 328 G HA2 0.606 4.579 3.960 0.020 0.000 0.317 328 G HA3 0.606 4.579 3.960 0.020 0.000 0.317 328 G C -1.294 173.499 174.900 -0.178 0.000 1.277 328 G CA -0.480 44.591 45.100 -0.049 0.000 0.955 328 G HN 0.284 nan 8.290 nan 0.000 0.484 329 F N 0.652 120.743 119.950 0.235 0.000 2.529 329 F HA 0.544 5.083 4.527 0.019 0.000 0.320 329 F C 0.534 176.595 175.800 0.436 0.000 1.118 329 F CA -0.789 57.406 58.000 0.325 0.000 0.915 329 F CB 2.905 42.148 39.000 0.404 0.000 1.161 329 F HN 0.355 nan 8.300 nan 0.000 0.445 330 S N 3.512 119.526 115.700 0.524 0.000 2.420 330 S HA 0.431 4.913 4.470 0.020 0.000 0.313 330 S C 0.869 175.625 174.600 0.260 0.000 1.079 330 S CA -0.492 57.918 58.200 0.351 0.000 1.104 330 S CB 0.302 63.681 63.200 0.298 0.000 0.969 330 S HN 0.687 nan 8.310 nan 0.000 0.471 331 L N 4.284 125.636 121.223 0.215 0.000 2.270 331 L HA 0.040 4.392 4.340 0.020 0.000 0.210 331 L C 2.886 179.830 176.870 0.123 0.000 1.104 331 L CA 0.935 55.947 54.840 0.288 0.000 0.804 331 L CB -0.843 41.466 42.059 0.417 0.000 0.937 331 L HN 0.710 nan 8.230 nan 0.000 0.450 332 K N 1.026 121.328 120.400 -0.164 0.000 2.007 332 K HA -0.373 3.959 4.320 0.020 0.000 0.231 332 K C 1.905 178.344 176.600 -0.269 0.000 1.044 332 K CA 2.615 58.540 56.287 -0.603 0.000 0.996 332 K CB -1.487 nan 32.500 nan 0.000 0.738 332 K HN 0.538 nan 8.250 nan 0.000 0.447 333 E N -0.221 119.911 120.200 -0.112 0.000 2.033 333 E HA -0.322 4.040 4.350 0.020 0.000 0.199 333 E C 2.562 179.170 176.600 0.013 0.000 1.011 333 E CA 1.987 58.370 56.400 -0.029 0.000 0.815 333 E CB -0.122 29.582 29.700 0.006 0.000 0.755 333 E HN 0.707 nan 8.360 nan 0.000 0.451 334 Q N 0.054 119.883 119.800 0.048 0.000 2.020 334 Q HA -0.179 4.173 4.340 0.020 0.000 0.202 334 Q C 2.481 178.454 176.000 -0.045 0.000 0.982 334 Q CA 1.653 57.444 55.803 -0.020 0.000 0.838 334 Q CB -0.085 28.631 28.738 -0.036 0.000 0.899 334 Q HN 0.360 nan 8.270 nan 0.000 0.423 335 L N 0.275 121.557 121.223 0.098 0.000 1.989 335 L HA -0.276 4.076 4.340 0.020 0.000 0.211 335 L C 2.720 179.603 176.870 0.021 0.000 1.071 335 L CA 1.694 56.563 54.840 0.049 0.000 0.749 335 L CB -0.688 41.421 42.059 0.084 0.000 0.890 335 L HN 0.398 nan 8.230 nan 0.000 0.431 336 Q N -0.008 119.887 119.800 0.158 0.000 2.065 336 Q HA -0.347 4.005 4.340 0.020 0.000 0.213 336 Q C 2.033 178.048 176.000 0.024 0.000 1.012 336 Q CA 2.470 58.356 55.803 0.139 0.000 0.876 336 Q CB -0.235 28.584 28.738 0.134 0.000 0.954 336 Q HN 0.448 nan 8.270 nan 0.000 0.413 337 D N -0.730 119.663 120.400 -0.012 0.000 2.265 337 D HA -0.153 4.499 4.640 0.020 0.000 0.208 337 D C 1.393 177.635 176.300 -0.097 0.000 0.977 337 D CA 1.017 54.993 54.000 -0.040 0.000 0.871 337 D CB 0.087 40.868 40.800 -0.030 0.000 0.925 337 D HN 0.380 nan 8.370 nan 0.000 0.485 338 M N -1.511 117.990 119.600 -0.164 0.000 2.495 338 M HA 0.143 4.635 4.480 0.020 0.000 0.237 338 M C 1.256 177.472 176.300 -0.139 0.000 1.131 338 M CA 0.537 55.725 55.300 -0.186 0.000 1.032 338 M CB 1.346 33.802 32.600 -0.240 0.000 1.513 338 M HN 0.094 nan 8.290 nan 0.000 0.488 339 G N 1.022 109.756 108.800 -0.111 0.000 2.227 339 G HA2 -0.156 3.816 3.960 0.020 0.000 0.168 339 G HA3 -0.156 3.816 3.960 0.020 0.000 0.168 339 G C -0.260 174.568 174.900 -0.120 0.000 1.006 339 G CA -0.657 44.381 45.100 -0.104 0.000 0.684 339 G HN 0.310 nan 8.290 nan 0.000 0.489 340 L N 2.633 123.777 121.223 -0.132 0.000 2.449 340 L HA 0.638 4.990 4.340 0.020 0.000 0.255 340 L C 1.304 178.144 176.870 -0.050 0.000 1.167 340 L CA -0.325 54.423 54.840 -0.154 0.000 1.090 340 L CB 0.725 42.625 42.059 -0.265 0.000 1.385 340 L HN 0.018 nan 8.230 nan 0.000 0.411 341 V N 0.564 120.460 119.914 -0.030 0.000 2.581 341 V HA 0.033 4.165 4.120 0.020 0.000 0.240 341 V C 1.579 177.687 176.094 0.023 0.000 1.054 341 V CA 0.699 63.028 62.300 0.048 0.000 1.076 341 V CB -0.404 31.440 31.823 0.034 0.000 0.748 341 V HN 0.498 nan 8.190 nan 0.000 0.474 342 D N 0.822 121.202 120.400 -0.032 0.000 2.221 342 D HA -0.150 4.503 4.640 0.020 0.000 0.204 342 D C 1.835 178.108 176.300 -0.046 0.000 0.982 342 D CA 0.968 54.952 54.000 -0.027 0.000 0.857 342 D CB -0.203 40.577 40.800 -0.033 0.000 0.934 342 D HN 0.334 nan 8.370 nan 0.000 0.475 343 L N -0.738 120.384 121.223 -0.168 0.000 2.201 343 L HA -0.029 4.323 4.340 0.020 0.000 0.212 343 L C 1.120 177.872 176.870 -0.196 0.000 1.105 343 L CA 1.503 56.191 54.840 -0.253 0.000 0.775 343 L CB -0.232 41.572 42.059 -0.426 0.000 0.913 343 L HN -0.061 nan 8.230 nan 0.000 0.440 344 F N -1.749 118.287 119.950 0.142 0.000 2.714 344 F HA 0.308 4.847 4.527 0.020 0.000 0.294 344 F C 1.537 177.444 175.800 0.179 0.000 1.120 344 F CA 0.033 58.147 58.000 0.190 0.000 1.398 344 F CB -0.755 38.327 39.000 0.136 0.000 1.120 344 F HN 0.017 nan 8.300 nan 0.000 0.589 345 S N 2.284 118.117 115.700 0.220 0.000 2.465 345 S HA 0.213 4.695 4.470 0.020 0.000 0.279 345 S C -1.693 172.894 174.600 -0.023 0.000 1.201 345 S CA -1.412 56.829 58.200 0.068 0.000 1.053 345 S CB 1.089 64.316 63.200 0.045 0.000 0.953 345 S HN -0.158 nan 8.310 nan 0.000 0.488 346 P HA -0.161 nan 4.420 nan 0.000 0.217 346 P C 1.372 178.596 177.300 -0.126 0.000 1.148 346 P CA 1.139 64.008 63.100 -0.385 0.000 0.828 346 P CB 0.106 31.394 31.700 -0.686 0.000 0.783 347 E N 0.438 120.587 120.200 -0.086 0.000 2.086 347 E HA -0.092 4.270 4.350 0.020 0.000 0.190 347 E C 1.560 178.152 176.600 -0.013 0.000 0.975 347 E CA 1.096 57.472 56.400 -0.039 0.000 0.813 347 E CB -0.777 28.901 29.700 -0.037 0.000 0.768 347 E HN 0.253 nan 8.360 nan 0.000 0.457 348 K N 1.421 121.816 120.400 -0.008 0.000 2.228 348 K HA 0.043 4.375 4.320 0.020 0.000 0.202 348 K C 1.229 177.837 176.600 0.012 0.000 1.051 348 K CA 0.516 56.804 56.287 0.002 0.000 0.960 348 K CB 0.003 32.505 32.500 0.002 0.000 0.743 348 K HN -0.008 nan 8.250 nan 0.000 0.458 349 S N 1.707 117.427 115.700 0.033 0.000 2.555 349 S HA 0.095 4.577 4.470 0.020 0.000 0.293 349 S C -0.223 174.397 174.600 0.034 0.000 1.248 349 S CA -0.149 58.082 58.200 0.052 0.000 1.096 349 S CB 0.062 63.343 63.200 0.135 0.000 0.881 349 S HN 0.254 nan 8.310 nan 0.000 0.498 350 K N 5.655 126.061 120.400 0.010 0.000 2.404 350 K HA 0.594 4.926 4.320 0.020 0.000 0.257 350 K C -0.663 175.927 176.600 -0.017 0.000 1.026 350 K CA -0.532 55.754 56.287 -0.002 0.000 0.951 350 K CB 0.412 32.906 32.500 -0.009 0.000 1.203 350 K HN 0.794 nan 8.250 nan 0.000 0.446 351 L N 4.225 125.436 121.223 -0.019 0.000 2.457 351 L HA 0.281 4.633 4.340 0.020 0.000 0.252 351 L C -1.687 175.137 176.870 -0.077 0.000 1.132 351 L CA -2.049 52.759 54.840 -0.053 0.000 0.938 351 L CB 2.092 44.138 42.059 -0.021 0.000 1.246 351 L HN 0.431 nan 8.230 nan 0.000 0.476 352 P HA -0.173 nan 4.420 nan 0.000 0.216 352 P C 1.684 178.912 177.300 -0.119 0.000 1.150 352 P CA 1.362 64.408 63.100 -0.091 0.000 0.843 352 P CB 0.292 31.941 31.700 -0.085 0.000 0.787 353 G N 0.291 108.954 108.800 -0.228 0.000 2.529 353 G HA2 -0.217 3.755 3.960 0.020 0.000 0.219 353 G HA3 -0.217 3.755 3.960 0.020 0.000 0.219 353 G C 0.666 175.559 174.900 -0.012 0.000 1.177 353 G CA 0.642 45.578 45.100 -0.274 0.000 0.773 353 G HN 0.268 nan 8.290 nan 0.000 0.573 354 I N -0.109 120.457 120.570 -0.007 0.000 2.519 354 I HA 0.455 4.637 4.170 0.020 0.000 0.287 354 I C -0.144 175.911 176.117 -0.103 0.000 1.047 354 I CA -0.237 61.015 61.300 -0.080 0.000 1.381 354 I CB 1.815 39.729 38.000 -0.144 0.000 1.417 354 I HN -0.103 nan 8.210 nan 0.000 0.540 355 V N 4.076 123.905 119.914 -0.142 0.000 3.114 355 V HA 0.950 5.082 4.120 0.020 0.000 0.308 355 V C -0.903 175.123 176.094 -0.114 0.000 1.168 355 V CA -0.439 61.804 62.300 -0.096 0.000 1.015 355 V CB 2.140 33.926 31.823 -0.061 0.000 1.050 355 V HN 0.936 nan 8.190 nan 0.000 0.433 356 A N 2.381 125.156 122.820 -0.075 0.000 2.590 356 A HA 0.683 5.015 4.320 0.020 0.000 0.296 356 A C -1.129 176.433 177.584 -0.037 0.000 1.050 356 A CA -0.637 51.360 52.037 -0.067 0.000 0.697 356 A CB 1.322 20.274 19.000 -0.079 0.000 1.277 356 A HN 0.771 nan 8.150 nan 0.000 0.411 357 E N 0.696 120.879 120.200 -0.030 0.000 2.493 357 E HA 0.397 4.759 4.350 0.020 0.000 0.255 357 E C 1.226 177.822 176.600 -0.008 0.000 0.999 357 E CA 1.958 58.347 56.400 -0.017 0.000 0.934 357 E CB 0.158 29.849 29.700 -0.015 0.000 0.940 357 E HN 2.130 nan 8.360 nan 0.000 0.473 358 G N 4.851 113.649 108.800 -0.004 0.000 2.273 358 G HA2 -0.314 3.658 3.960 0.020 0.000 0.280 358 G HA3 -0.314 3.658 3.960 0.020 0.000 0.280 358 G C -0.109 174.797 174.900 0.009 0.000 1.047 358 G CA 0.312 45.414 45.100 0.003 0.000 0.869 358 G HN 0.435 nan 8.290 nan 0.000 0.502 359 R N -0.301 120.204 120.500 0.008 0.000 2.569 359 R HA 0.201 4.553 4.340 0.020 0.000 0.293 359 R C -0.602 175.709 176.300 0.018 0.000 1.186 359 R CA -0.651 55.462 56.100 0.022 0.000 0.956 359 R CB 0.971 31.285 30.300 0.025 0.000 1.196 359 R HN 0.153 nan 8.270 nan 0.000 0.444 360 D N 0.577 120.992 120.400 0.025 0.000 2.367 360 D HA -0.038 4.614 4.640 0.020 0.000 0.207 360 D C 0.589 176.917 176.300 0.046 0.000 1.034 360 D CA 0.363 54.377 54.000 0.022 0.000 0.861 360 D CB 0.615 41.423 40.800 0.013 0.000 0.943 360 D HN 0.426 nan 8.370 nan 0.000 0.515 361 D N 1.286 121.729 120.400 0.072 0.000 2.149 361 D HA -0.103 4.549 4.640 0.020 0.000 0.198 361 D C 0.936 177.399 176.300 0.271 0.000 0.990 361 D CA 0.241 54.318 54.000 0.128 0.000 0.839 361 D CB -0.193 40.686 40.800 0.132 0.000 0.948 361 D HN 0.272 nan 8.370 nan 0.000 0.460 362 L N 1.643 122.987 121.223 0.202 0.000 3.009 362 L HA -0.184 4.168 4.340 0.020 0.000 0.302 362 L C -0.064 176.940 176.870 0.223 0.000 1.060 362 L CA 0.348 55.278 54.840 0.151 0.000 0.941 362 L CB -1.389 40.682 42.059 0.020 0.000 1.406 362 L HN 0.139 nan 8.230 nan 0.000 0.473 363 Y N 1.068 121.399 120.300 0.052 0.000 2.715 363 Y HA 0.796 5.358 4.550 0.020 0.000 0.331 363 Y C -0.667 175.307 175.900 0.123 0.000 1.197 363 Y CA -1.696 56.449 58.100 0.075 0.000 1.079 363 Y CB 1.102 39.615 38.460 0.088 0.000 1.298 363 Y HN -0.079 nan 8.280 nan 0.000 0.477 364 V N 2.395 122.419 119.914 0.183 0.000 2.350 364 V HA 0.222 4.354 4.120 0.020 0.000 0.276 364 V C 0.432 176.693 176.094 0.279 0.000 1.028 364 V CA 0.070 62.471 62.300 0.169 0.000 0.860 364 V CB 0.550 32.525 31.823 0.253 0.000 0.990 364 V HN 1.016 nan 8.190 nan 0.000 0.453 365 S N 3.274 118.985 115.700 0.017 0.000 2.404 365 S HA -0.061 4.421 4.470 0.020 0.000 0.216 365 S C 0.519 175.167 174.600 0.081 0.000 1.039 365 S CA 1.109 59.356 58.200 0.079 0.000 1.062 365 S CB -0.010 63.198 63.200 0.013 0.000 1.046 365 S HN 0.848 nan 8.310 nan 0.000 0.415 366 D N -0.911 119.486 120.400 -0.004 0.000 2.552 366 D HA 0.617 5.269 4.640 0.020 0.000 0.239 366 D C -1.285 174.907 176.300 -0.181 0.000 1.139 366 D CA -0.366 53.500 54.000 -0.224 0.000 0.914 366 D CB 2.280 42.794 40.800 -0.478 0.000 1.461 366 D HN 0.317 nan 8.370 nan 0.000 0.462 367 A N 1.430 124.084 122.820 -0.277 0.000 2.340 367 A HA 0.600 4.932 4.320 0.020 0.000 0.297 367 A C -1.457 176.012 177.584 -0.191 0.000 1.195 367 A CA -0.540 51.456 52.037 -0.070 0.000 0.769 367 A CB 0.293 19.490 19.000 0.328 0.000 1.163 367 A HN 0.305 nan 8.150 nan 0.000 0.472 368 F N 1.459 121.555 119.950 0.244 0.000 2.443 368 F HA 0.589 5.129 4.527 0.020 0.000 0.335 368 F C 0.350 176.354 175.800 0.340 0.000 1.104 368 F CA -0.144 58.017 58.000 0.268 0.000 1.013 368 F CB 1.827 40.944 39.000 0.195 0.000 1.136 368 F HN 0.731 nan 8.300 nan 0.000 0.470 369 H N 2.556 121.927 119.070 0.502 0.000 2.679 369 H HA 0.558 5.126 4.556 0.020 0.000 0.360 369 H C -1.469 174.151 175.328 0.486 0.000 1.105 369 H CA -0.848 55.445 56.048 0.409 0.000 1.196 369 H CB 1.617 31.559 29.762 0.300 0.000 1.636 369 H HN 0.614 nan 8.280 nan 0.000 0.531 370 K N 2.970 123.213 120.400 -0.261 0.000 2.435 370 K HA 0.840 5.172 4.320 0.020 0.000 0.251 370 K C -1.815 174.708 176.600 -0.128 0.000 0.954 370 K CA -0.985 55.225 56.287 -0.128 0.000 0.820 370 K CB 2.132 34.688 32.500 0.093 0.000 1.292 370 K HN 0.721 nan 8.250 nan 0.000 0.436 371 A N 2.574 125.495 122.820 0.169 0.000 2.547 371 A HA 0.675 5.007 4.320 0.020 0.000 0.297 371 A C -1.493 176.403 177.584 0.521 0.000 1.056 371 A CA -0.754 51.526 52.037 0.404 0.000 0.688 371 A CB 0.605 19.894 19.000 0.481 0.000 1.282 371 A HN 0.637 nan 8.150 nan 0.000 0.400 372 F N 0.375 120.521 119.950 0.326 0.000 2.661 372 F HA 0.964 5.502 4.527 0.017 0.000 0.347 372 F C -1.203 174.581 175.800 -0.026 0.000 1.086 372 F CA -1.943 56.151 58.000 0.157 0.000 1.016 372 F CB 1.531 40.583 39.000 0.086 0.000 1.368 372 F HN 0.624 nan 8.300 nan 0.000 0.505 373 L N 1.705 122.866 121.223 -0.103 0.000 2.905 373 L HA 0.370 4.722 4.340 0.020 0.000 0.260 373 L C -1.764 175.039 176.870 -0.112 0.000 0.933 373 L CA -0.131 54.481 54.840 -0.380 0.000 1.034 373 L CB 1.787 43.267 42.059 -0.965 0.000 1.550 373 L HN 0.861 nan 8.230 nan 0.000 0.480 374 E N 4.030 124.184 120.200 -0.076 0.000 2.183 374 E HA 0.594 4.956 4.350 0.020 0.000 0.250 374 E C -1.787 174.678 176.600 -0.226 0.000 0.901 374 E CA -0.385 55.965 56.400 -0.083 0.000 0.741 374 E CB 1.266 30.976 29.700 0.016 0.000 1.182 374 E HN 0.351 nan 8.360 nan 0.000 0.425 375 V N 6.921 126.601 119.914 -0.390 0.000 2.350 375 V HA 0.454 4.587 4.120 0.020 0.000 0.276 375 V C 0.272 176.128 176.094 -0.397 0.000 1.028 375 V CA -0.406 61.573 62.300 -0.535 0.000 0.860 375 V CB 0.620 31.806 31.823 -1.061 0.000 0.990 375 V HN 0.828 nan 8.190 nan 0.000 0.453 376 N N 2.594 121.158 118.700 -0.226 0.000 3.550 376 N HA 0.341 5.093 4.740 0.020 0.000 0.345 376 N C 0.248 175.818 175.510 0.100 0.000 1.647 376 N CA -0.738 52.257 53.050 -0.093 0.000 0.737 376 N CB 1.588 40.031 38.487 -0.074 0.000 2.178 376 N HN 0.252 nan 8.380 nan 0.000 0.638 377 E N 0.091 120.372 120.200 0.134 0.000 2.268 377 E HA -0.077 4.285 4.350 0.020 0.000 0.195 377 E C 0.789 177.659 176.600 0.449 0.000 0.995 377 E CA 1.130 57.733 56.400 0.338 0.000 0.836 377 E CB 0.052 29.890 29.700 0.230 0.000 0.763 377 E HN 0.427 nan 8.360 nan 0.000 0.491 378 E N -0.233 120.091 120.200 0.207 0.000 2.447 378 E HA 0.185 4.547 4.350 0.020 0.000 0.195 378 E C 0.861 177.429 176.600 -0.054 0.000 1.028 378 E CA 0.690 57.172 56.400 0.137 0.000 0.876 378 E CB 0.906 30.626 29.700 0.034 0.000 0.885 378 E HN 0.202 nan 8.360 nan 0.000 0.500 382 A N 0.603 123.388 122.820 -0.060 0.000 2.483 382 A HA 0.548 4.880 4.320 0.020 0.000 0.238 382 A C 0.310 177.874 177.584 -0.034 0.000 1.070 382 A CA 0.706 52.722 52.037 -0.035 0.000 0.770 382 A CB 0.063 19.051 19.000 -0.020 0.000 1.008 382 A HN 0.537 nan 8.150 nan 0.000 0.497 383 A N 0.964 123.768 122.820 -0.026 0.000 2.407 383 A HA 0.592 4.924 4.320 0.020 0.000 0.248 383 A C 0.527 178.111 177.584 0.001 0.000 1.082 383 A CA 0.456 52.485 52.037 -0.013 0.000 0.785 383 A CB 0.006 18.998 19.000 -0.013 0.000 1.020 383 A HN 2.363 nan 8.150 nan 0.000 0.489 384 A N 1.010 123.839 122.820 0.016 0.000 2.556 384 A HA 0.688 5.020 4.320 0.020 0.000 0.294 384 A C -0.126 177.476 177.584 0.030 0.000 1.091 384 A CA -0.339 51.711 52.037 0.021 0.000 0.704 384 A CB 1.250 20.265 19.000 0.025 0.000 1.300 384 A HN 0.989 nan 8.150 nan 0.000 0.406 385 S N 0.866 116.581 115.700 0.026 0.000 2.464 385 S HA 0.589 5.071 4.470 0.020 0.000 0.313 385 S C -0.275 174.346 174.600 0.034 0.000 1.078 385 S CA -0.020 58.198 58.200 0.029 0.000 1.096 385 S CB -0.268 62.945 63.200 0.023 0.000 1.032 385 S HN 0.715 nan 8.310 nan 0.000 0.498 386 T N 2.880 117.460 114.554 0.045 0.000 2.906 386 T HA 0.838 5.200 4.350 0.020 0.000 0.295 386 T C -0.564 174.168 174.700 0.053 0.000 1.075 386 T CA -0.519 61.609 62.100 0.048 0.000 1.005 386 T CB 1.834 70.737 68.868 0.058 0.000 1.136 386 T HN 0.577 nan 8.240 nan 0.000 0.498 387 A N 0.878 123.726 122.820 0.048 0.000 2.485 387 A HA 0.912 5.244 4.320 0.020 0.000 0.292 387 A C -1.498 176.113 177.584 0.045 0.000 1.147 387 A CA -0.651 51.416 52.037 0.049 0.000 0.750 387 A CB 1.553 20.576 19.000 0.039 0.000 1.331 387 A HN 0.620 nan 8.150 nan 0.000 0.419 388 V N 0.946 120.886 119.914 0.044 0.000 2.482 388 V HA 0.446 4.578 4.120 0.020 0.000 0.295 388 V C -0.872 175.235 176.094 0.022 0.000 1.026 388 V CA -0.440 61.878 62.300 0.030 0.000 0.856 388 V CB 1.557 33.395 31.823 0.025 0.000 1.001 388 V HN 0.696 nan 8.190 nan 0.000 0.424 389 V N 6.479 126.401 119.914 0.013 0.000 2.370 389 V HA 0.567 4.699 4.120 0.020 0.000 0.283 389 V C -0.207 175.886 176.094 -0.002 0.000 1.023 389 V CA -0.430 61.875 62.300 0.008 0.000 0.857 389 V CB 1.592 33.419 31.823 0.008 0.000 0.985 389 V HN 0.681 nan 8.190 nan 0.000 0.443 390 I N 4.245 124.812 120.570 -0.004 0.000 2.411 390 I HA 0.714 4.896 4.170 0.020 0.000 0.284 390 I C 0.165 176.276 176.117 -0.011 0.000 1.012 390 I CA -0.466 60.825 61.300 -0.014 0.000 1.119 390 I CB 1.753 39.739 38.000 -0.023 0.000 1.261 390 I HN 0.695 nan 8.210 nan 0.000 0.448 391 A N 4.167 126.980 122.820 -0.013 0.000 2.330 391 A HA 0.754 5.086 4.320 0.020 0.000 0.327 391 A C 0.658 178.234 177.584 -0.013 0.000 1.155 391 A CA -0.142 51.889 52.037 -0.010 0.000 0.803 391 A CB 1.188 20.184 19.000 -0.007 0.000 1.208 391 A HN 1.126 nan 8.150 nan 0.000 0.477 392 G N 1.063 109.856 108.800 -0.011 0.000 2.324 392 G HA2 -0.183 3.789 3.960 0.020 0.000 0.292 392 G HA3 -0.183 3.789 3.960 0.020 0.000 0.292 392 G C 0.035 174.924 174.900 -0.017 0.000 1.079 392 G CA 0.722 45.815 45.100 -0.012 0.000 1.026 392 G HN 1.047 nan 8.290 nan 0.000 0.506 393 R N -0.544 119.946 120.500 -0.017 0.000 2.621 393 R HA 0.691 5.043 4.340 0.020 0.000 0.292 393 R C -1.054 175.236 176.300 -0.017 0.000 0.969 393 R CA -0.290 55.796 56.100 -0.023 0.000 0.887 393 R CB 1.801 32.082 30.300 -0.031 0.000 1.180 393 R HN 0.376 nan 8.270 nan 0.000 0.450 394 S N 5.628 121.316 115.700 -0.019 0.000 2.775 394 S HA 0.405 4.887 4.470 0.020 0.000 0.277 394 S C -0.967 173.622 174.600 -0.018 0.000 1.156 394 S CA -0.690 57.502 58.200 -0.014 0.000 1.081 394 S CB 0.517 63.711 63.200 -0.010 0.000 1.054 394 S HN 0.520 nan 8.310 nan 0.000 0.482 395 L N 3.180 124.392 121.223 -0.018 0.000 2.375 395 L HA 0.562 4.914 4.340 0.020 0.000 0.268 395 L C 0.726 177.587 176.870 -0.015 0.000 1.058 395 L CA -1.205 53.621 54.840 -0.024 0.000 0.803 395 L CB 0.625 42.664 42.059 -0.033 0.000 1.212 395 L HN 0.598 nan 8.230 nan 0.000 0.451 396 N N 2.068 120.758 118.700 -0.018 0.000 2.293 396 N HA -0.034 4.718 4.740 0.020 0.000 0.253 396 N C -1.640 173.867 175.510 -0.005 0.000 1.248 396 N CA -0.692 52.352 53.050 -0.011 0.000 0.845 396 N CB 0.685 39.164 38.487 -0.013 0.000 1.073 396 N HN 0.321 nan 8.380 nan 0.000 0.464 397 P HA -0.109 nan 4.420 nan 0.000 0.217 397 P C -0.395 176.910 177.300 0.008 0.000 1.150 397 P CA 1.239 64.343 63.100 0.006 0.000 0.832 397 P CB 0.145 31.849 31.700 0.007 0.000 0.787 398 N N 1.150 119.853 118.700 0.004 0.000 3.091 398 N HA 0.053 4.805 4.740 0.020 0.000 0.301 398 N C 0.439 175.949 175.510 0.000 0.000 1.325 398 N CA 0.058 53.111 53.050 0.005 0.000 1.143 398 N CB -0.170 38.320 38.487 0.005 0.000 1.450 398 N HN 0.437 nan 8.380 nan 0.000 0.542 399 R N -1.719 118.778 120.500 -0.004 0.000 2.536 399 R HA 0.507 4.859 4.340 0.020 0.000 0.279 399 R C -0.153 176.131 176.300 -0.027 0.000 1.001 399 R CA -0.706 55.381 56.100 -0.021 0.000 1.027 399 R CB 0.829 31.111 30.300 -0.031 0.000 1.096 399 R HN -0.269 nan 8.270 nan 0.000 0.502 400 V N 1.899 121.774 119.914 -0.065 0.000 2.740 400 V HA 0.066 4.198 4.120 0.020 0.000 0.303 400 V C 0.062 176.103 176.094 -0.088 0.000 1.054 400 V CA 0.480 62.724 62.300 -0.094 0.000 1.106 400 V CB 1.352 33.049 31.823 -0.210 0.000 0.957 400 V HN 0.845 nan 8.190 nan 0.000 0.486 401 T N 6.014 120.555 114.554 -0.020 0.000 2.797 401 T HA 0.459 4.821 4.350 0.020 0.000 0.279 401 T C -0.729 174.028 174.700 0.095 0.000 0.991 401 T CA -0.129 62.001 62.100 0.049 0.000 0.979 401 T CB 0.919 69.840 68.868 0.089 0.000 0.943 401 T HN 0.431 nan 8.240 nan 0.000 0.444 402 F N 3.653 123.579 119.950 -0.041 0.000 2.366 402 F HA 0.505 5.042 4.527 0.017 0.000 0.366 402 F C 0.004 175.828 175.800 0.040 0.000 1.096 402 F CA -0.908 57.079 58.000 -0.021 0.000 1.060 402 F CB 0.611 39.569 39.000 -0.070 0.000 1.282 402 F HN 0.320 nan 8.300 nan 0.000 0.450 403 K N 5.176 125.485 120.400 -0.152 0.000 2.389 403 K HA 0.672 5.004 4.320 0.020 0.000 0.261 403 K C -0.832 175.607 176.600 -0.269 0.000 1.014 403 K CA -0.584 55.633 56.287 -0.116 0.000 0.920 403 K CB 1.062 33.457 32.500 -0.174 0.000 1.149 403 K HN 0.639 nan 8.250 nan 0.000 0.444 404 A N 4.773 127.474 122.820 -0.199 0.000 2.923 404 A HA 0.144 4.476 4.320 0.020 0.000 0.306 404 A C -0.295 177.337 177.584 0.080 0.000 1.542 404 A CA -0.648 51.273 52.037 -0.194 0.000 1.225 404 A CB -0.434 18.323 19.000 -0.406 0.000 1.147 404 A HN 0.822 nan 8.150 nan 0.000 0.542 405 N N 1.844 120.516 118.700 -0.046 0.000 2.541 405 N HA 0.196 4.948 4.740 0.020 0.000 0.297 405 N C -0.398 174.738 175.510 -0.623 0.000 1.503 405 N CA -0.480 52.491 53.050 -0.132 0.000 0.919 405 N CB 0.015 38.510 38.487 0.013 0.000 1.305 405 N HN 0.740 nan 8.380 nan 0.000 0.501 406 R N -2.480 117.565 120.500 -0.759 0.000 2.858 406 R HA 0.385 4.737 4.340 0.020 0.000 0.252 406 R C -3.472 172.762 176.300 -0.111 0.000 1.063 406 R CA -1.096 54.627 56.100 -0.628 0.000 0.955 406 R CB 0.047 30.200 30.300 -0.246 0.000 1.259 406 R HN -0.193 nan 8.270 nan 0.000 0.477 407 P HA -0.015 nan 4.420 nan 0.000 0.263 407 P C -1.121 176.285 177.300 0.176 0.000 1.168 407 P CA 0.441 63.629 63.100 0.147 0.000 0.759 407 P CB 0.041 31.798 31.700 0.095 0.000 0.782 408 F N 0.295 120.320 119.950 0.125 0.000 2.645 408 F HA 0.604 5.141 4.527 0.017 0.000 0.310 408 F C -1.325 174.535 175.800 0.099 0.000 1.102 408 F CA -1.658 56.409 58.000 0.112 0.000 0.952 408 F CB 0.767 39.849 39.000 0.136 0.000 1.326 408 F HN -0.027 nan 8.300 nan 0.000 0.456 409 L N 2.362 123.773 121.223 0.313 0.000 2.395 409 L HA 0.669 5.021 4.340 0.020 0.000 0.269 409 L C -0.659 176.355 176.870 0.239 0.000 1.133 409 L CA -1.064 53.863 54.840 0.144 0.000 0.812 409 L CB 1.640 43.793 42.059 0.157 0.000 1.125 409 L HN 0.571 nan 8.230 nan 0.000 0.452 410 V N 2.998 122.917 119.914 0.008 0.000 2.487 410 V HA 0.459 4.591 4.120 0.020 0.000 0.298 410 V C -0.741 175.332 176.094 -0.035 0.000 1.028 410 V CA -0.511 61.899 62.300 0.184 0.000 0.860 410 V CB 1.569 33.551 31.823 0.266 0.000 0.991 410 V HN 0.379 nan 8.190 nan 0.000 0.427 411 F N 4.270 124.386 119.950 0.278 0.000 2.540 411 F HA 0.650 5.189 4.527 0.020 0.000 0.317 411 F C -0.018 175.948 175.800 0.277 0.000 1.104 411 F CA -0.676 57.456 58.000 0.221 0.000 0.913 411 F CB 2.064 41.152 39.000 0.147 0.000 1.170 411 F HN 0.237 nan 8.300 nan 0.000 0.450 412 I N 4.487 125.325 120.570 0.448 0.000 2.428 412 I HA 0.352 4.535 4.170 0.020 0.000 0.279 412 I C -0.460 175.780 176.117 0.206 0.000 1.040 412 I CA -0.581 60.927 61.300 0.346 0.000 1.171 412 I CB 0.698 38.881 38.000 0.305 0.000 1.312 412 I HN 0.596 nan 8.210 nan 0.000 0.470 413 R N 4.198 124.809 120.500 0.185 0.000 2.598 413 R HA 0.541 4.893 4.340 0.020 0.000 0.279 413 R C -0.488 175.842 176.300 0.050 0.000 0.984 413 R CA -0.788 55.367 56.100 0.092 0.000 0.999 413 R CB 1.890 32.238 30.300 0.080 0.000 1.114 413 R HN 0.272 nan 8.270 nan 0.000 0.493 414 E N 2.338 122.540 120.200 0.003 0.000 2.109 414 E HA 0.106 4.468 4.350 0.020 0.000 0.278 414 E C 0.581 177.191 176.600 0.018 0.000 0.954 414 E CA -0.399 55.996 56.400 -0.007 0.000 0.779 414 E CB 1.934 31.597 29.700 -0.060 0.000 1.093 414 E HN 0.577 nan 8.360 nan 0.000 0.401 415 V N 6.581 126.519 119.914 0.041 0.000 2.283 415 V HA -0.106 4.026 4.120 0.020 0.000 0.243 415 V C -0.904 175.214 176.094 0.039 0.000 1.039 415 V CA 1.306 63.635 62.300 0.048 0.000 1.016 415 V CB -1.329 30.532 31.823 0.063 0.000 0.650 415 V HN 0.582 nan 8.190 nan 0.000 0.449 416 P HA -0.135 nan 4.420 nan 0.000 0.215 416 P C 1.747 179.062 177.300 0.025 0.000 1.153 416 P CA 1.583 64.693 63.100 0.018 0.000 0.853 416 P CB -0.121 31.583 31.700 0.006 0.000 0.788 417 L N -1.473 119.758 121.223 0.013 0.000 2.478 417 L HA 0.095 4.447 4.340 0.020 0.000 0.223 417 L C 1.098 177.995 176.870 0.044 0.000 1.140 417 L CA 0.428 55.276 54.840 0.014 0.000 0.842 417 L CB -1.188 40.849 42.059 -0.037 0.000 0.953 417 L HN 0.113 nan 8.230 nan 0.000 0.452 418 N N 1.034 119.765 118.700 0.051 0.000 2.758 418 N HA -0.166 4.586 4.740 0.020 0.000 0.248 418 N C -0.070 175.431 175.510 -0.015 0.000 1.076 418 N CA 0.619 53.699 53.050 0.051 0.000 0.696 418 N CB -0.365 38.212 38.487 0.149 0.000 0.979 418 N HN 0.485 nan 8.380 nan 0.000 0.550 419 T N -1.000 113.540 114.554 -0.022 0.000 2.863 419 T HA 0.586 4.948 4.350 0.020 0.000 0.285 419 T C 0.271 174.958 174.700 -0.022 0.000 1.009 419 T CA -0.798 61.280 62.100 -0.037 0.000 0.989 419 T CB 1.510 70.349 68.868 -0.049 0.000 1.004 419 T HN 0.185 nan 8.240 nan 0.000 0.455 420 I N 5.335 125.900 120.570 -0.008 0.000 2.322 420 I HA 0.188 4.370 4.170 0.020 0.000 0.292 420 I C 1.395 177.493 176.117 -0.031 0.000 1.060 420 I CA -0.573 60.749 61.300 0.036 0.000 1.309 420 I CB 0.642 38.697 38.000 0.093 0.000 1.415 420 I HN 0.708 nan 8.210 nan 0.000 0.492 421 I N 5.592 126.122 120.570 -0.066 0.000 2.193 421 I HA -0.085 4.097 4.170 0.020 0.000 0.240 421 I C 0.252 176.098 176.117 -0.452 0.000 1.084 421 I CA 1.495 62.626 61.300 -0.282 0.000 1.365 421 I CB -0.035 37.765 38.000 -0.333 0.000 1.064 421 I HN 0.323 nan 8.210 nan 0.000 0.410 422 F N 0.520 120.427 119.950 -0.073 0.000 2.576 422 F HA 0.538 5.079 4.527 0.024 0.000 0.313 422 F C -0.059 175.641 175.800 -0.168 0.000 1.078 422 F CA -0.931 56.941 58.000 -0.214 0.000 0.921 422 F CB 1.728 40.555 39.000 -0.289 0.000 1.232 422 F HN -0.170 nan 8.300 nan 0.000 0.459 423 M N 1.194 120.709 119.600 -0.140 0.000 2.644 423 M HA 1.036 5.528 4.480 0.020 0.000 0.304 423 M C -0.612 175.545 176.300 -0.238 0.000 1.215 423 M CA -0.620 54.506 55.300 -0.290 0.000 0.871 423 M CB 2.606 34.928 32.600 -0.462 0.000 1.740 423 M HN 0.706 nan 8.290 nan 0.000 0.464 424 G N 0.622 109.271 108.800 -0.251 0.000 2.441 424 G HA2 0.578 4.550 3.960 0.020 0.000 0.294 424 G HA3 0.578 4.550 3.960 0.020 0.000 0.294 424 G C -2.392 172.497 174.900 -0.019 0.000 1.393 424 G CA -1.005 44.158 45.100 0.105 0.000 0.796 424 G HN 0.897 nan 8.290 nan 0.000 0.494 425 R N -0.460 120.085 120.500 0.075 0.000 2.621 425 R HA 0.637 4.989 4.340 0.020 0.000 0.284 425 R C -1.717 174.438 176.300 -0.242 0.000 0.998 425 R CA -0.581 55.490 56.100 -0.048 0.000 0.895 425 R CB 2.351 32.710 30.300 0.098 0.000 1.195 425 R HN 0.385 nan 8.270 nan 0.000 0.450 426 V N 3.972 123.556 119.914 -0.549 0.000 2.304 426 V HA 0.433 4.565 4.120 0.020 0.000 0.278 426 V C 0.234 176.043 176.094 -0.475 0.000 1.018 426 V CA -0.076 61.767 62.300 -0.761 0.000 0.814 426 V CB 1.161 32.114 31.823 -1.450 0.000 1.021 426 V HN 0.963 nan 8.190 nan 0.000 0.440 427 A N 4.654 127.332 122.820 -0.235 0.000 2.545 427 A HA 0.457 4.789 4.320 0.020 0.000 0.263 427 A C 0.458 178.039 177.584 -0.005 0.000 1.202 427 A CA -0.012 52.024 52.037 -0.002 0.000 0.959 427 A CB -0.004 19.000 19.000 0.007 0.000 1.124 427 A HN 0.732 nan 8.150 nan 0.000 0.543 428 N N -0.187 118.347 118.700 -0.276 0.000 3.357 428 N HA 0.176 4.928 4.740 0.020 0.000 0.206 428 N C -2.740 172.532 175.510 -0.397 0.000 1.458 428 N CA -0.484 52.361 53.050 -0.342 0.000 0.776 428 N CB 1.431 39.841 38.487 -0.129 0.000 1.626 428 N HN -0.069 nan 8.380 nan 0.000 0.644 429 P HA 0.219 nan 4.420 nan 0.000 0.252 429 P C 0.005 177.181 177.300 -0.207 0.000 1.218 429 P CA 0.094 62.988 63.100 -0.343 0.000 0.807 429 P CB 0.092 31.569 31.700 -0.372 0.000 1.072 430 c N 0.004 118.458 118.600 -0.243 0.000 2.711 430 c HA 0.449 5.031 4.570 0.020 0.000 0.306 430 c C 1.264 175.310 174.090 -0.073 0.000 1.479 430 c CA -0.503 55.754 56.329 -0.120 0.000 2.271 430 c CB -0.121 42.333 42.510 -0.094 0.000 2.155 430 c HN 0.008 nan 8.230 nan 0.000 0.674 431 V N 0.000 119.887 119.914 -0.045 0.000 2.409 431 V HA 0.000 4.132 4.120 0.020 0.000 0.244 431 V CA 0.000 62.281 62.300 -0.032 0.000 1.235 431 V CB 0.000 31.809 31.823 -0.022 0.000 1.184 431 V HN 0.000 nan 8.190 nan 0.000 0.556