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 2jg0_1_A DATA FIRST_RESID 37 DATA SEQUENCE PQPPDILLGP LFNDVQNAKL FPDQKTFADA VPNSDPLMIL ADYRMQQNQS DATA SEQUENCE GFDLRHFVNV NFTLPKXXXX YVPPEGQSLR EHIDGLWPVL TRSTENTEKW DATA SEQUENCE DSLLPLPEPY VVPGGRFREV YYWDSYFTML GLAESGHWDK VADMVANFAH DATA SEQUENCE EIDTYGHIPN GNRSYYLSRS QPPFFALMVE LLAQHEGDAA LKQYLPQMQK DATA SEQUENCE EYAYWMDGVE NLQAGQQEKR VVKLQDGTLL NRYWDDRDTP RPESWVEDIA DATA SEQUENCE TAKSNPNRPA TEIYRDLRSA AASGWDFSSR WMDNPQQLNT LRTTSIVPVD DATA SEQUENCE LNSLMFKMEK ILARASKAAG DNAMANQYET LANARQKGIE KYLWNDQQGW DATA SEQUENCE YADYDLKSHK VRNQLTAAAL FPLYVNAAAK DRANKMATAT KTHLLQPGGL DATA SEQUENCE NTTSVKSGQQ WDAPNGWAPL QWVATEGLQN YGQKEVAMDI SWHFLTNVQH DATA SEQUENCE TYDREKKLVE KYDVSTTGTG GGGGEYPLQD GFGWTNGVTL KMLDLIcPKE DATA SEQUENCE QPcDNVPATR P 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 37 P HA 0.000 nan 4.420 nan 0.000 0.216 37 P C 0.000 177.295 177.300 -0.008 0.000 1.155 37 P CA 0.000 63.102 63.100 0.004 0.000 0.800 37 P CB 0.000 31.680 31.700 -0.033 0.000 0.726 38 Q N 3.079 122.885 119.800 0.010 0.000 2.256 38 Q HA 0.432 4.771 4.340 -0.001 0.000 0.254 38 Q C -2.190 173.786 176.000 -0.040 0.000 0.916 38 Q CA -1.724 54.076 55.803 -0.006 0.000 0.932 38 Q CB 1.222 29.966 28.738 0.011 0.000 1.207 38 Q HN 0.327 nan 8.270 nan 0.000 0.426 39 P HA 0.075 nan 4.420 nan 0.000 0.270 39 P C -2.067 175.109 177.300 -0.206 0.000 1.223 39 P CA -1.192 61.849 63.100 -0.098 0.000 0.785 39 P CB 0.204 31.866 31.700 -0.063 0.000 0.923 40 P HA -0.174 nan 4.420 nan 0.000 0.219 40 P C 1.118 177.880 177.300 -0.896 0.000 1.146 40 P CA 1.481 64.239 63.100 -0.570 0.000 0.808 40 P CB -0.252 31.020 31.700 -0.713 0.000 0.779 41 D N -0.578 119.187 120.400 -1.058 0.000 2.219 41 D HA -0.125 4.514 4.640 -0.001 0.000 0.205 41 D C 1.810 177.956 176.300 -0.257 0.000 0.970 41 D CA 0.968 54.503 54.000 -0.774 0.000 0.851 41 D CB -0.733 39.783 40.800 -0.472 0.000 0.943 41 D HN 0.235 nan 8.370 nan 0.000 0.488 42 I N -0.352 120.104 120.570 -0.190 0.000 2.512 42 I HA -0.116 4.053 4.170 -0.001 0.000 0.247 42 I C 2.375 178.459 176.117 -0.055 0.000 1.094 42 I CA 0.015 61.275 61.300 -0.067 0.000 1.427 42 I CB -0.071 37.908 38.000 -0.036 0.000 1.149 42 I HN -0.057 nan 8.210 nan 0.000 0.438 43 L N 0.836 122.012 121.223 -0.079 0.000 2.043 43 L HA -0.156 4.183 4.340 -0.001 0.000 0.212 43 L C 1.780 178.633 176.870 -0.028 0.000 1.075 43 L CA 2.110 56.925 54.840 -0.041 0.000 0.752 43 L CB -0.323 41.717 42.059 -0.032 0.000 0.891 43 L HN 0.189 nan 8.230 nan 0.000 0.432 44 L N -1.487 119.717 121.223 -0.032 0.000 2.857 44 L HA 0.348 4.687 4.340 -0.001 0.000 0.249 44 L C 1.666 178.592 176.870 0.093 0.000 1.172 44 L CA 0.106 54.987 54.840 0.069 0.000 0.980 44 L CB -0.456 41.706 42.059 0.170 0.000 1.299 44 L HN 0.367 nan 8.230 nan 0.000 0.535 45 G N 2.494 111.321 108.800 0.045 0.000 2.699 45 G HA2 -0.356 3.603 3.960 -0.001 0.000 0.408 45 G HA3 -0.356 3.603 3.960 -0.001 0.000 0.408 45 G C -0.901 174.065 174.900 0.110 0.000 1.112 45 G CA 0.981 46.125 45.100 0.073 0.000 0.885 45 G HN 0.296 nan 8.290 nan 0.000 0.690 46 P HA -0.020 nan 4.420 nan 0.000 0.220 46 P C 2.178 179.544 177.300 0.109 0.000 1.148 46 P CA 1.490 64.676 63.100 0.144 0.000 0.803 46 P CB -0.083 31.721 31.700 0.172 0.000 0.782 47 L N -0.997 120.251 121.223 0.041 0.000 2.056 47 L HA -0.056 4.284 4.340 -0.001 0.000 0.207 47 L C 2.437 179.230 176.870 -0.127 0.000 1.078 47 L CA 1.556 56.254 54.840 -0.237 0.000 0.749 47 L CB -1.617 40.266 42.059 -0.294 0.000 0.901 47 L HN -0.205 nan 8.230 nan 0.000 0.433 48 F N 0.832 120.709 119.950 -0.122 0.000 2.069 48 F HA -0.289 4.238 4.527 -0.001 0.000 0.298 48 F C 2.455 178.032 175.800 -0.372 0.000 1.113 48 F CA 2.159 60.066 58.000 -0.155 0.000 1.214 48 F CB -0.612 38.248 39.000 -0.233 0.000 0.978 48 F HN 0.413 nan 8.300 nan 0.000 0.474 49 N N 0.153 118.690 118.700 -0.272 0.000 2.069 49 N HA -0.232 4.507 4.740 -0.001 0.000 0.191 49 N C 1.483 176.895 175.510 -0.165 0.000 1.031 49 N CA 2.164 55.061 53.050 -0.255 0.000 0.852 49 N CB -0.428 38.170 38.487 0.185 0.000 1.018 49 N HN 0.251 nan 8.380 nan 0.000 0.423 50 D N -0.574 119.757 120.400 -0.114 0.000 2.117 50 D HA -0.090 4.550 4.640 -0.001 0.000 0.197 50 D C 2.042 178.215 176.300 -0.211 0.000 0.987 50 D CA 0.806 54.761 54.000 -0.076 0.000 0.829 50 D CB -0.392 40.429 40.800 0.035 0.000 0.961 50 D HN 0.163 nan 8.370 nan 0.000 0.460 51 V N 1.173 120.837 119.914 -0.417 0.000 2.358 51 V HA -0.200 3.919 4.120 -0.001 0.000 0.246 51 V C 2.500 178.281 176.094 -0.522 0.000 1.047 51 V CA 1.314 63.254 62.300 -0.601 0.000 1.035 51 V CB -0.362 30.753 31.823 -1.179 0.000 0.658 51 V HN 0.145 nan 8.190 nan 0.000 0.452 52 Q N 0.244 119.698 119.800 -0.576 0.000 2.020 52 Q HA -0.177 4.163 4.340 -0.001 0.000 0.202 52 Q C 2.180 178.107 176.000 -0.120 0.000 0.982 52 Q CA 1.521 57.094 55.803 -0.384 0.000 0.838 52 Q CB -0.699 27.674 28.738 -0.609 0.000 0.899 52 Q HN 0.602 nan 8.270 nan 0.000 0.423 53 N N 0.800 119.473 118.700 -0.046 0.000 2.289 53 N HA -0.091 4.648 4.740 -0.001 0.000 0.184 53 N C 1.480 176.974 175.510 -0.026 0.000 1.016 53 N CA 1.197 54.275 53.050 0.047 0.000 0.872 53 N CB -0.269 38.275 38.487 0.095 0.000 0.973 53 N HN 0.258 nan 8.380 nan 0.000 0.433 54 A N 0.844 123.605 122.820 -0.099 0.000 2.119 54 A HA -0.047 4.272 4.320 -0.001 0.000 0.217 54 A C 0.658 178.155 177.584 -0.144 0.000 1.153 54 A CA 0.439 52.404 52.037 -0.120 0.000 0.692 54 A CB -0.316 18.585 19.000 -0.165 0.000 0.799 54 A HN 0.317 nan 8.150 nan 0.000 0.458 55 K N -1.187 119.127 120.400 -0.143 0.000 3.077 55 K HA -0.200 4.119 4.320 -0.001 0.000 0.264 55 K C 0.482 176.945 176.600 -0.229 0.000 1.008 55 K CA 0.649 56.862 56.287 -0.124 0.000 0.740 55 K CB -2.056 30.410 32.500 -0.056 0.000 1.273 55 K HN 0.570 nan 8.250 nan 0.000 0.477 56 L N -0.734 120.231 121.223 -0.430 0.000 2.131 56 L HA -0.091 4.248 4.340 -0.001 0.000 0.210 56 L C 0.849 177.197 176.870 -0.871 0.000 1.092 56 L CA 1.280 55.672 54.840 -0.746 0.000 0.759 56 L CB -0.213 41.134 42.059 -1.187 0.000 0.903 56 L HN 0.128 nan 8.230 nan 0.000 0.435 57 F N -1.043 118.862 119.950 -0.075 0.000 2.508 57 F HA 0.353 4.880 4.527 -0.001 0.000 0.325 57 F C -1.331 174.458 175.800 -0.020 0.000 1.090 57 F CA -2.525 55.453 58.000 -0.038 0.000 0.945 57 F CB 0.150 39.135 39.000 -0.024 0.000 1.156 57 F HN -0.286 nan 8.300 nan 0.000 0.463 58 P HA -0.087 nan 4.420 nan 0.000 0.226 58 P C -0.253 177.112 177.300 0.108 0.000 1.153 58 P CA 1.048 64.208 63.100 0.100 0.000 0.777 58 P CB 0.420 32.167 31.700 0.078 0.000 0.794 59 D N -0.209 120.268 120.400 0.127 0.000 2.391 59 D HA 0.085 4.724 4.640 -0.001 0.000 0.245 59 D C 1.097 177.468 176.300 0.118 0.000 1.069 59 D CA -0.445 53.618 54.000 0.104 0.000 0.831 59 D CB 1.319 42.153 40.800 0.056 0.000 1.204 59 D HN -0.225 nan 8.370 nan 0.000 0.503 60 Q N 2.533 122.404 119.800 0.119 0.000 2.291 60 Q HA -0.145 4.195 4.340 -0.001 0.000 0.206 60 Q C 1.293 177.336 176.000 0.072 0.000 0.976 60 Q CA 0.774 56.644 55.803 0.112 0.000 0.875 60 Q CB 0.179 29.003 28.738 0.144 0.000 0.927 60 Q HN 0.530 nan 8.270 nan 0.000 0.450 61 K N 0.232 120.660 120.400 0.045 0.000 2.283 61 K HA -0.072 4.247 4.320 -0.001 0.000 0.202 61 K C 1.809 178.396 176.600 -0.022 0.000 1.048 61 K CA 1.032 57.312 56.287 -0.012 0.000 0.948 61 K CB 0.236 32.738 32.500 0.004 0.000 0.742 61 K HN 0.046 nan 8.250 nan 0.000 0.458 62 T N 0.504 115.047 114.554 -0.017 0.000 2.674 62 T HA -0.161 4.189 4.350 -0.001 0.000 0.265 62 T C 1.279 175.900 174.700 -0.131 0.000 1.039 62 T CA 1.404 63.439 62.100 -0.108 0.000 1.150 62 T CB -0.314 68.442 68.868 -0.185 0.000 0.864 62 T HN 0.246 nan 8.240 nan 0.000 0.427 63 F N 1.808 121.635 119.950 -0.206 0.000 2.259 63 F HA 0.232 4.758 4.527 -0.001 0.000 0.298 63 F C 2.358 178.138 175.800 -0.033 0.000 1.088 63 F CA 0.317 58.200 58.000 -0.195 0.000 1.358 63 F CB -0.596 38.309 39.000 -0.158 0.000 1.040 63 F HN 0.127 nan 8.300 nan 0.000 0.505 64 A N -0.463 122.364 122.820 0.011 0.000 2.024 64 A HA -0.202 4.118 4.320 -0.001 0.000 0.220 64 A C 1.519 179.085 177.584 -0.030 0.000 1.164 64 A CA 2.056 54.073 52.037 -0.033 0.000 0.643 64 A CB -0.694 18.096 19.000 -0.349 0.000 0.806 64 A HN 0.384 nan 8.150 nan 0.000 0.451 65 D N -0.502 119.868 120.400 -0.050 0.000 2.368 65 D HA 0.379 5.018 4.640 -0.001 0.000 0.218 65 D C 0.536 176.775 176.300 -0.101 0.000 1.112 65 D CA 0.565 54.558 54.000 -0.013 0.000 0.834 65 D CB 0.029 40.843 40.800 0.023 0.000 0.953 65 D HN 0.428 nan 8.370 nan 0.000 0.505 66 A N 0.478 123.147 122.820 -0.253 0.000 2.425 66 A HA 0.363 4.683 4.320 -0.001 0.000 0.249 66 A C 0.240 177.796 177.584 -0.047 0.000 1.084 66 A CA -0.188 51.711 52.037 -0.230 0.000 0.781 66 A CB 0.655 19.288 19.000 -0.612 0.000 1.019 66 A HN 0.003 nan 8.150 nan 0.000 0.490 67 V N 4.739 124.700 119.914 0.079 0.000 2.347 67 V HA 0.300 4.419 4.120 -0.001 0.000 0.280 67 V C -2.317 173.873 176.094 0.160 0.000 1.021 67 V CA -1.652 60.720 62.300 0.119 0.000 0.847 67 V CB 1.277 33.142 31.823 0.070 0.000 0.990 67 V HN 0.758 nan 8.190 nan 0.000 0.444 68 P HA 0.144 nan 4.420 nan 0.000 0.265 68 P C 0.295 177.514 177.300 -0.135 0.000 1.193 68 P CA 0.065 63.027 63.100 -0.230 0.000 0.765 68 P CB 0.507 32.092 31.700 -0.193 0.000 0.823 69 N N 0.138 118.658 118.700 -0.300 0.000 2.467 69 N HA -0.007 4.732 4.740 -0.001 0.000 0.184 69 N C 0.431 175.892 175.510 -0.081 0.000 1.106 69 N CA 0.552 53.517 53.050 -0.141 0.000 0.892 69 N CB -0.041 38.337 38.487 -0.180 0.000 0.969 69 N HN 0.518 nan 8.380 nan 0.000 0.454 70 S N -1.623 113.971 115.700 -0.177 0.000 2.672 70 S HA 0.154 4.623 4.470 -0.001 0.000 0.271 70 S C -1.276 172.965 174.600 -0.598 0.000 1.171 70 S CA -1.025 57.073 58.200 -0.170 0.000 0.817 70 S CB 1.733 64.837 63.200 -0.160 0.000 1.150 70 S HN -0.076 nan 8.310 nan 0.000 0.478 71 D N 1.631 121.617 120.400 -0.690 0.000 2.520 71 D HA 0.193 4.832 4.640 -0.001 0.000 0.243 71 D C -1.449 174.379 176.300 -0.786 0.000 1.160 71 D CA -1.203 52.125 54.000 -1.121 0.000 0.877 71 D CB 0.976 41.532 40.800 -0.407 0.000 1.150 71 D HN 0.164 nan 8.370 nan 0.000 0.494 72 P HA -0.162 nan 4.420 nan 0.000 0.217 72 P C 1.708 178.868 177.300 -0.233 0.000 1.151 72 P CA 0.980 63.806 63.100 -0.457 0.000 0.849 72 P CB 0.167 31.619 31.700 -0.414 0.000 0.787 73 L N -2.266 118.826 121.223 -0.220 0.000 2.079 73 L HA -0.182 4.157 4.340 -0.001 0.000 0.210 73 L C 2.376 179.210 176.870 -0.059 0.000 1.081 73 L CA 1.328 56.112 54.840 -0.093 0.000 0.752 73 L CB -0.769 41.252 42.059 -0.063 0.000 0.896 73 L HN 0.042 nan 8.230 nan 0.000 0.433 74 M N -0.846 118.695 119.600 -0.098 0.000 2.288 74 M HA -0.088 4.391 4.480 -0.001 0.000 0.266 74 M C 2.310 178.609 176.300 -0.002 0.000 1.072 74 M CA 1.540 56.811 55.300 -0.049 0.000 1.132 74 M CB -0.637 31.919 32.600 -0.073 0.000 1.386 74 M HN 0.216 nan 8.290 nan 0.000 0.432 75 I N 0.186 120.735 120.570 -0.035 0.000 2.252 75 I HA -0.289 3.880 4.170 -0.001 0.000 0.245 75 I C 2.307 178.580 176.117 0.260 0.000 1.102 75 I CA 1.047 62.400 61.300 0.088 0.000 1.385 75 I CB -0.370 37.607 38.000 -0.039 0.000 1.064 75 I HN 0.195 nan 8.210 nan 0.000 0.414 76 L N 0.482 121.800 121.223 0.158 0.000 2.083 76 L HA -0.188 4.151 4.340 -0.001 0.000 0.209 76 L C 2.827 179.794 176.870 0.161 0.000 1.083 76 L CA 1.299 56.252 54.840 0.190 0.000 0.752 76 L CB -0.688 41.439 42.059 0.113 0.000 0.899 76 L HN 0.242 nan 8.230 nan 0.000 0.433 77 A N -0.303 122.577 122.820 0.099 0.000 1.898 77 A HA -0.252 4.068 4.320 -0.001 0.000 0.216 77 A C 1.996 179.621 177.584 0.069 0.000 1.181 77 A CA 1.885 53.957 52.037 0.059 0.000 0.620 77 A CB -0.522 18.499 19.000 0.035 0.000 0.819 77 A HN 0.405 nan 8.150 nan 0.000 0.442 78 D N -1.505 118.979 120.400 0.140 0.000 2.084 78 D HA -0.212 4.427 4.640 -0.001 0.000 0.194 78 D C 1.758 178.138 176.300 0.133 0.000 0.990 78 D CA 1.606 55.718 54.000 0.187 0.000 0.826 78 D CB -0.427 40.562 40.800 0.314 0.000 0.971 78 D HN 0.443 nan 8.370 nan 0.000 0.453 79 Y N 1.172 121.469 120.300 -0.005 0.000 2.151 79 Y HA -0.220 4.329 4.550 -0.001 0.000 0.284 79 Y C 2.349 178.027 175.900 -0.370 0.000 1.166 79 Y CA 2.154 59.990 58.100 -0.440 0.000 1.163 79 Y CB -0.512 37.749 38.460 -0.331 0.000 0.974 79 Y HN -0.116 nan 8.280 nan 0.000 0.511 80 R N -0.140 120.210 120.500 -0.249 0.000 2.105 80 R HA -0.156 4.183 4.340 -0.001 0.000 0.239 80 R C 1.928 178.043 176.300 -0.309 0.000 1.135 80 R CA 1.921 57.837 56.100 -0.307 0.000 0.967 80 R CB -0.503 29.724 30.300 -0.123 0.000 0.861 80 R HN 0.325 nan 8.270 nan 0.000 0.442 81 M N 0.000 119.472 119.600 -0.213 0.000 2.200 81 M HA -0.034 4.445 4.480 -0.001 0.000 0.265 81 M C 1.799 177.962 176.300 -0.228 0.000 1.066 81 M CA 1.612 56.815 55.300 -0.162 0.000 1.127 81 M CB -0.560 32.001 32.600 -0.065 0.000 1.379 81 M HN 0.266 nan 8.290 nan 0.000 0.420 82 Q N -0.213 119.378 119.800 -0.349 0.000 2.339 82 Q HA -0.084 4.256 4.340 -0.001 0.000 0.205 82 Q C 2.008 177.525 176.000 -0.804 0.000 0.925 82 Q CA 0.568 56.137 55.803 -0.389 0.000 0.898 82 Q CB 0.016 28.628 28.738 -0.210 0.000 1.013 82 Q HN 0.668 nan 8.270 nan 0.000 0.504 83 Q N 0.744 119.842 119.800 -1.170 0.000 2.170 83 Q HA -0.157 4.182 4.340 -0.001 0.000 0.203 83 Q C 0.665 176.270 176.000 -0.659 0.000 0.976 83 Q CA 1.723 56.670 55.803 -1.426 0.000 0.858 83 Q CB -0.363 27.506 28.738 -1.448 0.000 0.907 83 Q HN 0.344 nan 8.270 nan 0.000 0.433 84 N N 0.129 118.572 118.700 -0.428 0.000 2.322 84 N HA 0.058 4.797 4.740 -0.001 0.000 0.194 84 N C -0.448 174.984 175.510 -0.129 0.000 1.126 84 N CA -0.259 52.660 53.050 -0.218 0.000 0.845 84 N CB 0.432 38.810 38.487 -0.182 0.000 0.976 84 N HN 0.284 nan 8.380 nan 0.000 0.475 85 Q N 0.623 120.350 119.800 -0.122 0.000 2.299 85 Q HA 0.198 4.537 4.340 -0.001 0.000 0.246 85 Q C -0.134 175.886 176.000 0.033 0.000 0.935 85 Q CA -0.211 55.573 55.803 -0.031 0.000 0.887 85 Q CB 1.306 30.038 28.738 -0.010 0.000 1.223 85 Q HN 0.043 nan 8.270 nan 0.000 0.439 86 S N 0.503 116.219 115.700 0.027 0.000 2.537 86 S HA 0.276 4.746 4.470 -0.001 0.000 0.286 86 S C 0.987 175.623 174.600 0.060 0.000 1.299 86 S CA 0.918 59.139 58.200 0.036 0.000 1.067 86 S CB -0.157 63.053 63.200 0.018 0.000 0.864 86 S HN 0.893 nan 8.310 nan 0.000 0.494 87 G N 3.909 112.746 108.800 0.062 0.000 2.162 87 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.260 87 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.260 87 G C 0.092 175.041 174.900 0.082 0.000 0.976 87 G CA 0.165 45.296 45.100 0.051 0.000 0.655 87 G HN 0.885 nan 8.290 nan 0.000 0.533 88 F N 1.637 121.583 119.950 -0.005 0.000 2.608 88 F HA 0.441 4.967 4.527 -0.001 0.000 0.380 88 F C 0.415 176.234 175.800 0.031 0.000 1.083 88 F CA 0.390 58.397 58.000 0.012 0.000 1.266 88 F CB 0.631 39.614 39.000 -0.029 0.000 1.076 88 F HN 0.118 nan 8.300 nan 0.000 0.574 89 D N 6.105 126.008 120.400 -0.829 0.000 2.462 89 D HA 0.160 4.799 4.640 -0.001 0.000 0.245 89 D C 0.552 176.356 176.300 -0.826 0.000 1.122 89 D CA -0.570 53.065 54.000 -0.608 0.000 0.864 89 D CB 1.216 41.863 40.800 -0.255 0.000 1.098 89 D HN 0.556 nan 8.370 nan 0.000 0.541 90 L N 4.646 125.508 121.223 -0.602 0.000 2.042 90 L HA -0.027 4.313 4.340 -0.001 0.000 0.210 90 L C 2.148 178.972 176.870 -0.076 0.000 1.076 90 L CA 1.789 56.499 54.840 -0.216 0.000 0.749 90 L CB -0.412 41.666 42.059 0.031 0.000 0.893 90 L HN 0.520 nan 8.230 nan 0.000 0.432 91 R N -1.652 118.776 120.500 -0.119 0.000 2.081 91 R HA -0.234 4.105 4.340 -0.001 0.000 0.235 91 R C 2.561 178.871 176.300 0.018 0.000 1.131 91 R CA 1.648 57.699 56.100 -0.082 0.000 0.960 91 R CB -0.602 29.630 30.300 -0.113 0.000 0.856 91 R HN 0.627 nan 8.270 nan 0.000 0.436 92 H N -0.551 118.479 119.070 -0.066 0.000 2.353 92 H HA -0.188 4.368 4.556 -0.001 0.000 0.300 92 H C 1.822 177.185 175.328 0.058 0.000 1.090 92 H CA 1.925 57.963 56.048 -0.016 0.000 1.327 92 H CB -0.199 29.534 29.762 -0.049 0.000 1.383 92 H HN 0.281 nan 8.280 nan 0.000 0.508 93 F N 1.066 120.963 119.950 -0.088 0.000 2.134 93 F HA -0.191 4.335 4.527 -0.001 0.000 0.299 93 F C 2.401 178.261 175.800 0.099 0.000 1.097 93 F CA 1.316 59.337 58.000 0.035 0.000 1.264 93 F CB -0.522 38.633 39.000 0.258 0.000 1.001 93 F HN -0.051 nan 8.300 nan 0.000 0.479 94 V N 0.849 120.888 119.914 0.209 0.000 2.295 94 V HA -0.330 3.789 4.120 -0.001 0.000 0.246 94 V C 2.149 178.376 176.094 0.222 0.000 1.049 94 V CA 2.127 64.587 62.300 0.266 0.000 1.024 94 V CB -0.862 31.040 31.823 0.131 0.000 0.648 94 V HN 0.353 nan 8.190 nan 0.000 0.447 95 N N 0.752 119.495 118.700 0.071 0.000 2.149 95 N HA -0.151 4.589 4.740 -0.001 0.000 0.188 95 N C 1.819 177.285 175.510 -0.073 0.000 1.019 95 N CA 1.889 54.953 53.050 0.025 0.000 0.857 95 N CB -0.617 37.864 38.487 -0.011 0.000 0.997 95 N HN 0.588 nan 8.380 nan 0.000 0.426 96 V N -1.350 118.426 119.914 -0.230 0.000 2.488 96 V HA 0.058 4.177 4.120 -0.001 0.000 0.246 96 V C 1.511 177.455 176.094 -0.250 0.000 1.046 96 V CA 1.372 63.516 62.300 -0.259 0.000 1.053 96 V CB -0.387 31.225 31.823 -0.351 0.000 0.679 96 V HN 0.160 nan 8.190 nan 0.000 0.458 97 N N -0.583 117.928 118.700 -0.315 0.000 2.353 97 N HA 0.251 4.990 4.740 -0.001 0.000 0.185 97 N C -0.423 174.641 175.510 -0.743 0.000 1.098 97 N CA 0.452 53.182 53.050 -0.533 0.000 0.872 97 N CB 0.431 38.458 38.487 -0.767 0.000 0.970 97 N HN 0.533 nan 8.380 nan 0.000 0.467 98 F N -0.418 119.498 119.950 -0.057 0.000 2.599 98 F HA 0.307 4.833 4.527 -0.001 0.000 0.311 98 F C 0.089 175.883 175.800 -0.010 0.000 1.076 98 F CA -0.860 57.139 58.000 -0.003 0.000 0.937 98 F CB 1.701 40.758 39.000 0.094 0.000 1.282 98 F HN -0.408 nan 8.300 nan 0.000 0.460 99 T N 3.771 118.415 114.554 0.150 0.000 2.767 99 T HA 0.606 4.956 4.350 -0.001 0.000 0.284 99 T C -0.276 174.457 174.700 0.056 0.000 0.973 99 T CA -0.516 61.630 62.100 0.076 0.000 0.996 99 T CB 0.558 69.447 68.868 0.035 0.000 0.927 99 T HN 0.274 nan 8.240 nan 0.000 0.456 100 L N 4.561 125.790 121.223 0.010 0.000 2.360 100 L HA 0.499 4.839 4.340 -0.001 0.000 0.271 100 L C -1.680 175.149 176.870 -0.069 0.000 1.057 100 L CA -2.372 52.423 54.840 -0.075 0.000 0.803 100 L CB 0.519 42.481 42.059 -0.162 0.000 1.207 100 L HN 0.389 nan 8.230 nan 0.000 0.445 101 P HA 0.159 nan 4.420 nan 0.000 0.269 101 P C -0.251 177.018 177.300 -0.052 0.000 1.209 101 P CA -0.191 62.874 63.100 -0.058 0.000 0.776 101 P CB 0.342 32.008 31.700 -0.057 0.000 0.876 108 V N 2.854 122.899 119.914 0.219 0.000 2.588 108 V HA 0.609 4.729 4.120 -0.001 0.000 0.304 108 V C -2.295 173.848 176.094 0.083 0.000 1.042 108 V CA -1.925 60.438 62.300 0.105 0.000 0.877 108 V CB 1.883 33.737 31.823 0.051 0.000 0.996 108 V HN 0.540 nan 8.190 nan 0.000 0.425 109 P HA 0.291 nan 4.420 nan 0.000 0.269 109 P C -2.457 174.860 177.300 0.029 0.000 1.209 109 P CA -0.875 62.277 63.100 0.087 0.000 0.776 109 P CB -0.207 31.540 31.700 0.078 0.000 0.876 110 P HA -0.011 nan 4.420 nan 0.000 0.271 110 P C -0.195 177.108 177.300 0.006 0.000 1.233 110 P CA -0.059 63.046 63.100 0.010 0.000 0.789 110 P CB 0.399 32.104 31.700 0.008 0.000 0.951 111 E N 0.198 120.396 120.200 -0.004 0.000 2.493 111 E HA 0.272 4.621 4.350 -0.001 0.000 0.255 111 E C 1.413 178.014 176.600 0.002 0.000 0.999 111 E CA 0.873 57.267 56.400 -0.010 0.000 0.934 111 E CB -1.213 28.480 29.700 -0.011 0.000 0.940 111 E HN 0.861 nan 8.360 nan 0.000 0.473 112 G N 3.441 112.240 108.800 -0.001 0.000 2.155 112 G HA2 -0.367 3.592 3.960 -0.001 0.000 0.257 112 G HA3 -0.367 3.592 3.960 -0.001 0.000 0.257 112 G C 0.333 175.264 174.900 0.052 0.000 0.983 112 G CA 0.623 45.734 45.100 0.019 0.000 0.676 112 G HN 0.763 nan 8.290 nan 0.000 0.528 113 Q N 1.193 121.035 119.800 0.071 0.000 2.300 113 Q HA 0.446 4.785 4.340 -0.001 0.000 0.280 113 Q C 1.236 177.344 176.000 0.180 0.000 1.033 113 Q CA 0.388 56.258 55.803 0.112 0.000 0.903 113 Q CB 0.364 29.183 28.738 0.135 0.000 1.195 113 Q HN 0.768 nan 8.270 nan 0.000 0.386 114 S N 2.979 118.746 115.700 0.111 0.000 2.600 114 S HA -0.008 4.461 4.470 -0.001 0.000 0.265 114 S C 1.004 175.583 174.600 -0.034 0.000 1.325 114 S CA -0.733 57.513 58.200 0.076 0.000 1.002 114 S CB 0.777 63.992 63.200 0.025 0.000 0.921 114 S HN 0.763 nan 8.310 nan 0.000 0.554 115 L N 1.293 122.393 121.223 -0.206 0.000 2.013 115 L HA -0.093 4.247 4.340 -0.001 0.000 0.212 115 L C 2.796 179.507 176.870 -0.265 0.000 1.073 115 L CA 2.088 56.613 54.840 -0.524 0.000 0.753 115 L CB -0.911 40.903 42.059 -0.408 0.000 0.890 115 L HN 0.935 nan 8.230 nan 0.000 0.432 116 R N -0.560 119.854 120.500 -0.142 0.000 2.073 116 R HA -0.187 4.152 4.340 -0.001 0.000 0.234 116 R C 2.211 178.468 176.300 -0.071 0.000 1.134 116 R CA 1.964 58.010 56.100 -0.091 0.000 0.952 116 R CB -0.255 30.017 30.300 -0.047 0.000 0.850 116 R HN 0.551 nan 8.270 nan 0.000 0.433 117 E N -1.118 119.061 120.200 -0.036 0.000 2.077 117 E HA -0.264 4.085 4.350 -0.001 0.000 0.193 117 E C 1.910 178.496 176.600 -0.024 0.000 0.989 117 E CA 1.611 58.004 56.400 -0.011 0.000 0.800 117 E CB -0.234 29.479 29.700 0.022 0.000 0.746 117 E HN 0.484 nan 8.360 nan 0.000 0.452 118 H N 0.882 119.881 119.070 -0.118 0.000 2.290 118 H HA -0.113 4.443 4.556 -0.001 0.000 0.298 118 H C 1.953 177.149 175.328 -0.219 0.000 1.087 118 H CA 1.919 57.895 56.048 -0.120 0.000 1.291 118 H CB -0.237 29.458 29.762 -0.112 0.000 1.369 118 H HN 0.065 nan 8.280 nan 0.000 0.492 119 I N 0.058 120.418 120.570 -0.350 0.000 2.118 119 I HA -0.286 3.883 4.170 -0.001 0.000 0.241 119 I C 2.229 177.913 176.117 -0.722 0.000 1.070 119 I CA 2.034 62.990 61.300 -0.572 0.000 1.327 119 I CB -0.352 37.419 38.000 -0.381 0.000 1.034 119 I HN 0.395 nan 8.210 nan 0.000 0.405 120 D N 0.624 120.819 120.400 -0.342 0.000 2.178 120 D HA -0.127 4.512 4.640 -0.001 0.000 0.201 120 D C 2.159 178.360 176.300 -0.165 0.000 0.980 120 D CA 1.382 55.300 54.000 -0.136 0.000 0.842 120 D CB -0.145 40.723 40.800 0.113 0.000 0.948 120 D HN 0.294 nan 8.370 nan 0.000 0.472 121 G N -0.210 108.467 108.800 -0.205 0.000 2.484 121 G HA2 -0.134 3.825 3.960 -0.001 0.000 0.218 121 G HA3 -0.134 3.825 3.960 -0.001 0.000 0.218 121 G C 1.549 176.317 174.900 -0.220 0.000 1.130 121 G CA 0.084 45.090 45.100 -0.156 0.000 0.784 121 G HN 0.322 nan 8.290 nan 0.000 0.543 122 L N -1.125 119.845 121.223 -0.422 0.000 2.418 122 L HA 0.113 4.453 4.340 -0.001 0.000 0.218 122 L C 2.473 179.197 176.870 -0.244 0.000 1.125 122 L CA 0.040 54.653 54.840 -0.378 0.000 0.835 122 L CB -0.211 41.507 42.059 -0.567 0.000 0.953 122 L HN 0.387 nan 8.230 nan 0.000 0.454 123 W N 1.069 122.279 121.300 -0.151 0.000 2.318 123 W HA -0.186 4.473 4.660 -0.001 0.000 0.313 123 W C -0.333 176.101 176.519 -0.142 0.000 1.221 123 W CA 0.458 57.700 57.345 -0.172 0.000 1.266 123 W CB -1.785 27.506 29.460 -0.281 0.000 1.150 123 W HN 0.136 nan 8.180 nan 0.000 0.496 124 P HA -0.149 nan 4.420 nan 0.000 0.218 124 P C 1.551 178.872 177.300 0.034 0.000 1.149 124 P CA 1.454 64.576 63.100 0.038 0.000 0.817 124 P CB -0.217 31.494 31.700 0.018 0.000 0.785 125 V N -0.519 119.424 119.914 0.049 0.000 2.407 125 V HA -0.180 3.940 4.120 -0.001 0.000 0.248 125 V C 2.161 178.276 176.094 0.035 0.000 1.055 125 V CA 1.562 63.912 62.300 0.082 0.000 1.049 125 V CB -1.057 30.855 31.823 0.149 0.000 0.662 125 V HN 0.106 nan 8.190 nan 0.000 0.455 126 L N -0.633 120.611 121.223 0.034 0.000 2.591 126 L HA 0.106 4.445 4.340 -0.001 0.000 0.228 126 L C 0.663 177.542 176.870 0.015 0.000 1.133 126 L CA 0.157 55.017 54.840 0.034 0.000 0.880 126 L CB -0.230 41.871 42.059 0.070 0.000 1.033 126 L HN 0.251 nan 8.230 nan 0.000 0.450 127 T N 1.512 116.054 114.554 -0.020 0.000 2.837 127 T HA 0.460 4.809 4.350 -0.001 0.000 0.285 127 T C 0.074 174.651 174.700 -0.205 0.000 0.984 127 T CA -0.503 61.532 62.100 -0.108 0.000 1.049 127 T CB 1.304 70.122 68.868 -0.084 0.000 0.947 127 T HN 0.036 nan 8.240 nan 0.000 0.472 128 R N 1.469 121.703 120.500 -0.443 0.000 2.750 128 R HA 0.659 4.998 4.340 -0.001 0.000 0.281 128 R C -0.824 175.066 176.300 -0.683 0.000 0.972 128 R CA -0.814 54.961 56.100 -0.541 0.000 0.912 128 R CB 2.043 31.983 30.300 -0.600 0.000 1.187 128 R HN 0.573 nan 8.270 nan 0.000 0.464 129 S N 0.363 115.845 115.700 -0.363 0.000 2.745 129 S HA 0.208 4.677 4.470 -0.001 0.000 0.283 129 S C -0.835 173.708 174.600 -0.094 0.000 1.170 129 S CA -0.380 57.694 58.200 -0.209 0.000 1.119 129 S CB 0.619 63.741 63.200 -0.130 0.000 1.035 129 S HN 0.565 nan 8.310 nan 0.000 0.483 130 T N 3.383 117.944 114.554 0.011 0.000 3.327 130 T HA 0.384 4.734 4.350 -0.001 0.000 0.373 130 T C 0.599 175.321 174.700 0.037 0.000 1.589 130 T CA -0.442 61.686 62.100 0.047 0.000 1.497 130 T CB 0.496 69.429 68.868 0.108 0.000 1.032 130 T HN 0.549 nan 8.240 nan 0.000 0.640 131 E N 2.273 122.468 120.200 -0.008 0.000 2.150 131 E HA 0.097 4.446 4.350 -0.001 0.000 0.193 131 E C 0.627 177.203 176.600 -0.041 0.000 0.985 131 E CA 0.984 57.362 56.400 -0.036 0.000 0.814 131 E CB 0.231 29.903 29.700 -0.046 0.000 0.752 131 E HN 0.694 nan 8.360 nan 0.000 0.466 132 N N -1.154 117.526 118.700 -0.034 0.000 2.321 132 N HA 0.305 5.044 4.740 -0.001 0.000 0.290 132 N C -0.907 174.581 175.510 -0.036 0.000 1.212 132 N CA -0.421 52.604 53.050 -0.041 0.000 0.767 132 N CB 2.085 40.543 38.487 -0.049 0.000 1.494 132 N HN -0.134 nan 8.380 nan 0.000 0.479 133 T N -0.713 113.811 114.554 -0.050 0.000 2.901 133 T HA 0.216 4.565 4.350 -0.001 0.000 0.293 133 T C -0.916 173.737 174.700 -0.078 0.000 1.084 133 T CA -0.542 61.529 62.100 -0.049 0.000 1.008 133 T CB 1.260 70.105 68.868 -0.039 0.000 1.170 133 T HN 0.250 nan 8.240 nan 0.000 0.509 134 E N 1.562 121.723 120.200 -0.066 0.000 2.422 134 E HA 0.119 4.468 4.350 -0.001 0.000 0.260 134 E C -0.018 176.489 176.600 -0.155 0.000 1.108 134 E CA -0.134 56.213 56.400 -0.089 0.000 0.943 134 E CB 0.548 30.225 29.700 -0.038 0.000 0.961 134 E HN 0.400 nan 8.360 nan 0.000 0.443 135 K N 1.504 121.734 120.400 -0.283 0.000 2.401 135 K HA -0.046 4.273 4.320 -0.001 0.000 0.278 135 K C -0.048 176.362 176.600 -0.317 0.000 1.018 135 K CA 0.178 56.088 56.287 -0.628 0.000 0.981 135 K CB -0.214 31.521 32.500 -1.274 0.000 0.933 135 K HN 0.603 nan 8.250 nan 0.000 0.477 136 W N -0.549 120.732 121.300 -0.031 0.000 2.560 136 W HA -0.214 4.446 4.660 -0.001 0.000 0.279 136 W C 0.146 176.643 176.519 -0.037 0.000 1.090 136 W CA 0.539 57.864 57.345 -0.033 0.000 0.535 136 W CB -2.301 27.141 29.460 -0.031 0.000 2.121 136 W HN 0.742 nan 8.180 nan 0.000 1.314 137 D N 1.121 121.568 120.400 0.079 0.000 2.414 137 D HA 0.187 4.826 4.640 -0.001 0.000 0.242 137 D C 1.506 177.808 176.300 0.002 0.000 1.129 137 D CA 1.235 55.255 54.000 0.033 0.000 0.885 137 D CB 1.178 41.975 40.800 -0.005 0.000 1.198 137 D HN 0.013 nan 8.370 nan 0.000 0.437 138 S N 3.168 118.859 115.700 -0.015 0.000 2.489 138 S HA -0.085 4.384 4.470 -0.001 0.000 0.228 138 S C 1.089 175.601 174.600 -0.145 0.000 0.995 138 S CA -0.315 57.841 58.200 -0.073 0.000 0.934 138 S CB -0.038 63.147 63.200 -0.025 0.000 0.771 138 S HN 0.413 nan 8.310 nan 0.000 0.522 139 L N 2.697 123.865 121.223 -0.092 0.000 2.455 139 L HA 0.346 4.686 4.340 -0.001 0.000 0.272 139 L C -0.512 176.308 176.870 -0.083 0.000 1.174 139 L CA 0.041 54.825 54.840 -0.092 0.000 0.869 139 L CB 0.172 42.216 42.059 -0.025 0.000 1.130 139 L HN 0.293 nan 8.230 nan 0.000 0.474 140 L N 7.757 128.916 121.223 -0.106 0.000 2.307 140 L HA 0.494 4.833 4.340 -0.001 0.000 0.282 140 L C -1.954 174.905 176.870 -0.019 0.000 1.051 140 L CA -1.997 52.810 54.840 -0.055 0.000 0.804 140 L CB 1.098 43.114 42.059 -0.071 0.000 1.197 140 L HN 0.541 nan 8.230 nan 0.000 0.431 141 P HA 0.227 nan 4.420 nan 0.000 0.271 141 P C -1.029 176.263 177.300 -0.014 0.000 1.218 141 P CA -0.078 63.025 63.100 0.004 0.000 0.780 141 P CB 1.189 32.886 31.700 -0.005 0.000 0.901 142 L N 3.798 124.989 121.223 -0.055 0.000 2.388 142 L HA 0.371 4.710 4.340 -0.001 0.000 0.264 142 L C -1.435 175.331 176.870 -0.173 0.000 0.998 142 L CA -2.200 52.552 54.840 -0.146 0.000 0.817 142 L CB 3.066 45.038 42.059 -0.144 0.000 1.338 142 L HN 0.158 nan 8.230 nan 0.000 0.414 143 P HA -0.024 nan 4.420 nan 0.000 0.225 143 P C -0.213 177.029 177.300 -0.095 0.000 1.156 143 P CA 1.060 64.028 63.100 -0.220 0.000 0.787 143 P CB 0.588 32.115 31.700 -0.287 0.000 0.802 144 E N -0.430 119.738 120.200 -0.054 0.000 2.359 144 E HA 0.461 4.810 4.350 -0.001 0.000 0.266 144 E C -2.697 173.929 176.600 0.043 0.000 0.920 144 E CA -2.937 53.457 56.400 -0.011 0.000 0.788 144 E CB 0.375 30.071 29.700 -0.006 0.000 1.279 144 E HN -0.045 nan 8.360 nan 0.000 0.438 145 P HA 0.086 nan 4.420 nan 0.000 0.270 145 P C -0.983 176.322 177.300 0.008 0.000 1.223 145 P CA 0.292 63.346 63.100 -0.076 0.000 0.785 145 P CB 0.056 31.693 31.700 -0.105 0.000 0.923 146 Y N -2.172 118.083 120.300 -0.076 0.000 2.597 146 Y HA 0.665 5.214 4.550 -0.001 0.000 0.340 146 Y C -1.278 174.597 175.900 -0.041 0.000 1.097 146 Y CA -1.677 56.375 58.100 -0.081 0.000 1.037 146 Y CB 0.531 38.923 38.460 -0.113 0.000 1.305 146 Y HN -0.012 nan 8.280 nan 0.000 0.463 147 V N 3.731 123.730 119.914 0.141 0.000 2.439 147 V HA 0.558 4.678 4.120 -0.001 0.000 0.282 147 V C 0.236 176.453 176.094 0.206 0.000 1.039 147 V CA -0.632 61.736 62.300 0.113 0.000 0.913 147 V CB 0.961 32.834 31.823 0.083 0.000 0.983 147 V HN 0.841 nan 8.190 nan 0.000 0.460 148 V N 3.307 123.321 119.914 0.167 0.000 2.834 148 V HA 0.554 4.673 4.120 -0.001 0.000 0.313 148 V C -1.996 174.102 176.094 0.007 0.000 1.060 148 V CA -1.870 60.538 62.300 0.181 0.000 0.989 148 V CB 1.438 33.392 31.823 0.218 0.000 1.041 148 V HN 0.588 nan 8.190 nan 0.000 0.459 149 P HA 0.226 nan 4.420 nan 0.000 0.217 149 P C 0.647 177.587 177.300 -0.601 0.000 1.150 149 P CA 1.870 64.576 63.100 -0.657 0.000 0.832 149 P CB -0.127 30.982 31.700 -0.986 0.000 0.787 150 G N -3.476 105.234 108.800 -0.150 0.000 2.362 150 G HA2 0.400 4.359 3.960 -0.001 0.000 0.656 150 G HA3 0.400 4.359 3.960 -0.001 0.000 0.656 150 G C 0.073 175.055 174.900 0.136 0.000 1.376 150 G CA -0.245 44.861 45.100 0.010 0.000 0.971 150 G HN 0.437 nan 8.290 nan 0.000 0.636 151 G N 0.852 109.696 108.800 0.074 0.000 2.583 151 G HA2 -0.142 3.817 3.960 -0.001 0.000 0.292 151 G HA3 -0.142 3.817 3.960 -0.001 0.000 0.292 151 G C 1.515 176.369 174.900 -0.077 0.000 1.203 151 G CA 1.876 46.983 45.100 0.011 0.000 0.987 151 G HN 2.289 nan 8.290 nan 0.000 0.554 152 R N 0.120 120.464 120.500 -0.259 0.000 2.285 152 R HA 0.106 4.445 4.340 -0.001 0.000 0.213 152 R C 0.570 176.699 176.300 -0.285 0.000 1.068 152 R CA 1.360 57.253 56.100 -0.345 0.000 1.004 152 R CB -0.263 29.722 30.300 -0.526 0.000 0.873 152 R HN 0.294 nan 8.270 nan 0.000 0.467 153 F N 3.361 123.364 119.950 0.087 0.000 2.451 153 F HA 0.291 4.817 4.527 -0.001 0.000 0.356 153 F C 0.707 176.625 175.800 0.196 0.000 1.178 153 F CA -1.190 56.915 58.000 0.175 0.000 1.210 153 F CB 0.835 39.834 39.000 -0.003 0.000 1.504 153 F HN 0.041 nan 8.300 nan 0.000 0.598 154 R N 1.596 122.304 120.500 0.347 0.000 2.935 154 R HA 0.330 4.669 4.340 -0.001 0.000 0.354 154 R C -0.609 175.845 176.300 0.257 0.000 1.206 154 R CA -0.253 55.983 56.100 0.227 0.000 1.082 154 R CB 0.059 30.433 30.300 0.123 0.000 1.431 154 R HN 0.448 nan 8.270 nan 0.000 0.582 155 E N -0.481 119.920 120.200 0.334 0.000 2.423 155 E HA 0.154 4.503 4.350 -0.001 0.000 0.280 155 E C -1.260 175.444 176.600 0.174 0.000 1.030 155 E CA -0.972 55.554 56.400 0.211 0.000 0.812 155 E CB 1.314 31.040 29.700 0.043 0.000 1.313 155 E HN -0.074 nan 8.360 nan 0.000 0.456 156 V N 1.147 121.008 119.914 -0.088 0.000 2.775 156 V HA 0.261 4.380 4.120 -0.001 0.000 0.299 156 V C -1.136 174.855 176.094 -0.172 0.000 1.062 156 V CA 0.106 62.375 62.300 -0.051 0.000 1.063 156 V CB 0.031 31.649 31.823 -0.342 0.000 0.994 156 V HN 0.568 nan 8.190 nan 0.000 0.483 157 Y N 4.915 125.300 120.300 0.142 0.000 2.485 157 Y HA 0.351 4.900 4.550 -0.001 0.000 0.345 157 Y C 0.384 176.505 175.900 0.368 0.000 0.998 157 Y CA -0.350 57.847 58.100 0.163 0.000 1.059 157 Y CB 1.208 39.665 38.460 -0.006 0.000 1.234 157 Y HN 0.671 nan 8.280 nan 0.000 0.461 158 Y N 2.856 123.347 120.300 0.318 0.000 2.090 158 Y HA -0.228 4.321 4.550 -0.001 0.000 0.274 158 Y C 2.016 178.120 175.900 0.340 0.000 1.110 158 Y CA 1.974 60.202 58.100 0.213 0.000 1.092 158 Y CB -0.824 37.739 38.460 0.171 0.000 0.992 158 Y HN 0.803 nan 8.280 nan 0.000 0.479 159 W N 1.337 122.749 121.300 0.188 0.000 2.425 159 W HA -0.047 4.612 4.660 -0.001 0.000 0.277 159 W C 1.334 178.071 176.519 0.363 0.000 1.231 159 W CA 1.087 58.498 57.345 0.109 0.000 1.248 159 W CB -1.573 27.976 29.460 0.149 0.000 1.117 159 W HN 0.157 nan 8.180 nan 0.000 0.568 160 D N 1.369 121.936 120.400 0.279 0.000 2.149 160 D HA -0.195 4.444 4.640 -0.001 0.000 0.198 160 D C 2.315 178.793 176.300 0.298 0.000 0.990 160 D CA 2.763 56.829 54.000 0.109 0.000 0.839 160 D CB -0.499 40.094 40.800 -0.344 0.000 0.948 160 D HN 0.043 nan 8.370 nan 0.000 0.460 161 S N -0.579 115.320 115.700 0.331 0.000 2.399 161 S HA -0.188 4.281 4.470 -0.001 0.000 0.231 161 S C 1.660 176.405 174.600 0.242 0.000 1.022 161 S CA 0.557 58.958 58.200 0.334 0.000 0.983 161 S CB -0.379 63.167 63.200 0.577 0.000 0.803 161 S HN 0.368 nan 8.310 nan 0.000 0.480 162 Y N 1.490 121.836 120.300 0.077 0.000 2.128 162 Y HA -0.176 4.373 4.550 -0.001 0.000 0.284 162 Y C 1.658 177.409 175.900 -0.249 0.000 1.154 162 Y CA 1.397 59.412 58.100 -0.141 0.000 1.149 162 Y CB -0.562 37.649 38.460 -0.414 0.000 0.976 162 Y HN 0.233 nan 8.280 nan 0.000 0.505 163 F N -0.572 119.345 119.950 -0.055 0.000 2.259 163 F HA -0.122 4.404 4.527 -0.002 0.000 0.298 163 F C 2.415 178.137 175.800 -0.130 0.000 1.088 163 F CA 1.624 59.528 58.000 -0.159 0.000 1.358 163 F CB -1.002 38.016 39.000 0.030 0.000 1.040 163 F HN -0.079 nan 8.300 nan 0.000 0.505 164 T N 0.190 114.829 114.554 0.142 0.000 2.746 164 T HA -0.219 4.130 4.350 -0.001 0.000 0.267 164 T C 2.020 176.604 174.700 -0.192 0.000 1.039 164 T CA 1.505 63.647 62.100 0.069 0.000 1.142 164 T CB -0.346 68.588 68.868 0.110 0.000 0.866 164 T HN 0.175 nan 8.240 nan 0.000 0.444 165 M N 0.544 120.012 119.600 -0.220 0.000 2.159 165 M HA 0.013 4.492 4.480 -0.001 0.000 0.263 165 M C 2.129 178.167 176.300 -0.437 0.000 1.063 165 M CA 1.356 56.466 55.300 -0.316 0.000 1.110 165 M CB -0.654 31.834 32.600 -0.186 0.000 1.374 165 M HN 0.167 nan 8.290 nan 0.000 0.411 166 L N -0.550 120.370 121.223 -0.505 0.000 2.042 166 L HA -0.179 4.161 4.340 -0.001 0.000 0.210 166 L C 2.639 179.274 176.870 -0.392 0.000 1.076 166 L CA 1.436 55.975 54.840 -0.501 0.000 0.749 166 L CB -1.298 40.389 42.059 -0.620 0.000 0.893 166 L HN 0.443 nan 8.230 nan 0.000 0.432 167 G N -0.170 108.459 108.800 -0.286 0.000 2.402 167 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.216 167 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.216 167 G C 1.632 176.382 174.900 -0.250 0.000 1.162 167 G CA 0.382 45.405 45.100 -0.128 0.000 0.777 167 G HN 0.210 nan 8.290 nan 0.000 0.539 168 L N 0.714 121.615 121.223 -0.536 0.000 2.046 168 L HA -0.067 4.273 4.340 -0.001 0.000 0.208 168 L C 3.395 179.907 176.870 -0.596 0.000 1.077 168 L CA 1.082 55.528 54.840 -0.657 0.000 0.747 168 L CB -0.346 41.263 42.059 -0.750 0.000 0.896 168 L HN 0.305 nan 8.230 nan 0.000 0.432 169 A N -0.298 122.055 122.820 -0.778 0.000 1.898 169 A HA -0.239 4.080 4.320 -0.001 0.000 0.216 169 A C 2.184 179.276 177.584 -0.820 0.000 1.181 169 A CA 1.748 52.982 52.037 -1.339 0.000 0.620 169 A CB -0.447 17.716 19.000 -1.395 0.000 0.819 169 A HN 0.356 nan 8.150 nan 0.000 0.442 170 E N 0.686 120.624 120.200 -0.438 0.000 2.153 170 E HA -0.121 4.228 4.350 -0.001 0.000 0.194 170 E C 1.822 178.323 176.600 -0.165 0.000 0.988 170 E CA 1.514 57.786 56.400 -0.212 0.000 0.811 170 E CB -0.152 29.462 29.700 -0.143 0.000 0.746 170 E HN 0.673 nan 8.360 nan 0.000 0.466 171 S N -1.830 113.760 115.700 -0.183 0.000 2.597 171 S HA 0.334 4.803 4.470 -0.001 0.000 0.224 171 S C 1.423 175.818 174.600 -0.342 0.000 0.955 171 S CA 0.130 58.253 58.200 -0.128 0.000 0.933 171 S CB 0.467 63.731 63.200 0.106 0.000 0.788 171 S HN 0.409 nan 8.310 nan 0.000 0.488 172 G N 1.928 110.489 108.800 -0.398 0.000 2.179 172 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.260 172 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.260 172 G C 0.081 174.730 174.900 -0.418 0.000 0.977 172 G CA 0.149 45.038 45.100 -0.352 0.000 0.641 172 G HN 0.680 nan 8.290 nan 0.000 0.533 173 H N -0.612 118.234 119.070 -0.374 0.000 2.983 173 H HA 0.255 4.810 4.556 -0.001 0.000 0.222 173 H C 1.207 176.341 175.328 -0.322 0.000 1.828 173 H CA -0.315 55.554 56.048 -0.298 0.000 1.309 173 H CB -0.506 29.037 29.762 -0.366 0.000 1.644 173 H HN 0.663 nan 8.280 nan 0.000 0.561 174 W N 1.223 122.420 121.300 -0.170 0.000 2.465 174 W HA -0.157 4.502 4.660 -0.001 0.000 0.268 174 W C 1.955 178.424 176.519 -0.084 0.000 1.242 174 W CA 0.776 57.993 57.345 -0.214 0.000 1.248 174 W CB 0.246 29.386 29.460 -0.532 0.000 1.118 174 W HN 0.460 nan 8.180 nan 0.000 0.587 175 D N 0.637 121.133 120.400 0.160 0.000 2.117 175 D HA -0.201 4.438 4.640 -0.001 0.000 0.197 175 D C 1.449 177.789 176.300 0.067 0.000 0.987 175 D CA 1.485 55.556 54.000 0.118 0.000 0.829 175 D CB -0.931 39.923 40.800 0.090 0.000 0.961 175 D HN 0.175 nan 8.370 nan 0.000 0.460 176 K N 0.357 120.760 120.400 0.005 0.000 2.103 176 K HA -0.006 4.314 4.320 -0.001 0.000 0.204 176 K C 2.382 178.952 176.600 -0.049 0.000 1.052 176 K CA 0.680 56.930 56.287 -0.062 0.000 0.945 176 K CB 0.033 32.424 32.500 -0.183 0.000 0.722 176 K HN 0.041 nan 8.250 nan 0.000 0.443 177 V N 1.664 121.551 119.914 -0.045 0.000 2.261 177 V HA -0.284 3.835 4.120 -0.001 0.000 0.246 177 V C 2.424 178.584 176.094 0.110 0.000 1.047 177 V CA 2.150 64.454 62.300 0.008 0.000 1.015 177 V CB -0.816 31.017 31.823 0.017 0.000 0.642 177 V HN 0.351 nan 8.190 nan 0.000 0.446 178 A N -0.043 122.876 122.820 0.164 0.000 1.908 178 A HA -0.293 4.027 4.320 -0.001 0.000 0.218 178 A C 1.982 179.643 177.584 0.128 0.000 1.181 178 A CA 2.198 54.340 52.037 0.175 0.000 0.627 178 A CB -0.756 18.361 19.000 0.196 0.000 0.818 178 A HN 0.552 nan 8.150 nan 0.000 0.445 179 D N -0.481 119.970 120.400 0.085 0.000 2.123 179 D HA -0.162 4.477 4.640 -0.001 0.000 0.196 179 D C 2.002 178.320 176.300 0.030 0.000 0.992 179 D CA 1.550 55.581 54.000 0.051 0.000 0.833 179 D CB -0.325 40.488 40.800 0.021 0.000 0.954 179 D HN 0.523 nan 8.370 nan 0.000 0.455 180 M N -0.220 119.402 119.600 0.037 0.000 2.200 180 M HA -0.089 4.391 4.480 -0.001 0.000 0.265 180 M C 2.263 178.632 176.300 0.115 0.000 1.066 180 M CA 0.540 55.848 55.300 0.013 0.000 1.127 180 M CB 0.104 32.753 32.600 0.081 0.000 1.379 180 M HN -0.117 nan 8.290 nan 0.000 0.420 181 V N 0.628 120.644 119.914 0.171 0.000 2.287 181 V HA -0.275 3.844 4.120 -0.001 0.000 0.248 181 V C 2.664 178.813 176.094 0.091 0.000 1.053 181 V CA 2.088 64.481 62.300 0.155 0.000 1.027 181 V CB -1.309 30.445 31.823 -0.115 0.000 0.646 181 V HN 0.518 nan 8.190 nan 0.000 0.447 182 A N 0.346 123.222 122.820 0.093 0.000 1.908 182 A HA -0.263 4.056 4.320 -0.001 0.000 0.218 182 A C 2.094 179.734 177.584 0.094 0.000 1.181 182 A CA 2.168 54.305 52.037 0.167 0.000 0.627 182 A CB -0.723 18.378 19.000 0.168 0.000 0.818 182 A HN 0.588 nan 8.150 nan 0.000 0.445 183 N N -0.675 118.007 118.700 -0.030 0.000 2.069 183 N HA -0.132 4.607 4.740 -0.001 0.000 0.191 183 N C 1.357 176.776 175.510 -0.152 0.000 1.031 183 N CA 1.535 54.486 53.050 -0.164 0.000 0.852 183 N CB -0.593 37.667 38.487 -0.378 0.000 1.018 183 N HN 0.480 nan 8.380 nan 0.000 0.423 184 F N 1.219 121.179 119.950 0.017 0.000 2.186 184 F HA 0.059 4.585 4.527 -0.001 0.000 0.299 184 F C 2.357 177.982 175.800 -0.292 0.000 1.090 184 F CA 0.572 58.500 58.000 -0.121 0.000 1.307 184 F CB -0.914 38.085 39.000 -0.002 0.000 1.019 184 F HN -0.004 nan 8.300 nan 0.000 0.489 185 A N -0.516 122.324 122.820 0.034 0.000 1.908 185 A HA -0.295 4.024 4.320 -0.001 0.000 0.218 185 A C 2.042 179.627 177.584 0.003 0.000 1.181 185 A CA 2.152 54.193 52.037 0.007 0.000 0.627 185 A CB -1.320 17.893 19.000 0.354 0.000 0.818 185 A HN 0.518 nan 8.150 nan 0.000 0.445 186 H N -0.034 119.011 119.070 -0.041 0.000 2.352 186 H HA -0.123 4.432 4.556 -0.001 0.000 0.299 186 H C 1.919 177.132 175.328 -0.192 0.000 1.097 186 H CA 2.156 58.145 56.048 -0.099 0.000 1.311 186 H CB -0.139 29.566 29.762 -0.095 0.000 1.377 186 H HN 0.618 nan 8.280 nan 0.000 0.504 187 E N -0.015 120.064 120.200 -0.202 0.000 2.077 187 E HA -0.146 4.203 4.350 -0.001 0.000 0.193 187 E C 2.404 178.815 176.600 -0.315 0.000 0.989 187 E CA 1.304 57.558 56.400 -0.244 0.000 0.800 187 E CB -0.055 29.636 29.700 -0.015 0.000 0.746 187 E HN 0.557 nan 8.360 nan 0.000 0.452 188 I N 1.669 122.062 120.570 -0.295 0.000 2.163 188 I HA -0.288 3.882 4.170 -0.001 0.000 0.243 188 I C 1.930 177.903 176.117 -0.241 0.000 1.085 188 I CA 1.198 62.331 61.300 -0.278 0.000 1.347 188 I CB -0.200 37.616 38.000 -0.307 0.000 1.044 188 I HN 0.009 nan 8.210 nan 0.000 0.408 189 D N 0.014 120.262 120.400 -0.253 0.000 2.183 189 D HA -0.107 4.532 4.640 -0.001 0.000 0.203 189 D C 2.240 178.336 176.300 -0.339 0.000 0.969 189 D CA 1.359 55.224 54.000 -0.224 0.000 0.842 189 D CB -0.152 40.550 40.800 -0.163 0.000 0.957 189 D HN 0.296 nan 8.370 nan 0.000 0.484 190 T N -0.464 113.731 114.554 -0.599 0.000 2.851 190 T HA -0.085 4.264 4.350 -0.001 0.000 0.262 190 T C 1.313 175.578 174.700 -0.725 0.000 1.043 190 T CA 0.850 62.463 62.100 -0.811 0.000 1.140 190 T CB -0.096 67.959 68.868 -1.355 0.000 0.872 190 T HN 0.177 nan 8.240 nan 0.000 0.446 191 Y N -0.032 120.092 120.300 -0.293 0.000 2.442 191 Y HA 0.466 5.015 4.550 -0.001 0.000 0.250 191 Y C 2.011 177.779 175.900 -0.219 0.000 1.113 191 Y CA -0.376 57.552 58.100 -0.286 0.000 1.273 191 Y CB 0.019 38.199 38.460 -0.468 0.000 1.138 191 Y HN 0.312 nan 8.280 nan 0.000 0.522 192 G N 0.136 108.876 108.800 -0.100 0.000 2.195 192 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.246 192 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.246 192 G C 0.074 174.933 174.900 -0.069 0.000 0.984 192 G CA 0.309 45.398 45.100 -0.018 0.000 0.633 192 G HN 0.611 nan 8.290 nan 0.000 0.525 193 H N -1.626 117.255 119.070 -0.314 0.000 2.967 193 H HA 0.549 5.104 4.556 -0.001 0.000 0.318 193 H C -1.078 174.013 175.328 -0.394 0.000 1.375 193 H CA -1.183 54.508 56.048 -0.594 0.000 1.132 193 H CB 0.596 29.428 29.762 -1.550 0.000 1.848 193 H HN 0.177 nan 8.280 nan 0.000 0.524 194 I N 3.504 123.850 120.570 -0.374 0.000 2.322 194 I HA 0.180 4.350 4.170 -0.001 0.000 0.292 194 I C -2.120 173.885 176.117 -0.185 0.000 1.060 194 I CA -1.788 59.275 61.300 -0.395 0.000 1.309 194 I CB 1.310 38.798 38.000 -0.853 0.000 1.415 194 I HN 0.244 nan 8.210 nan 0.000 0.492 195 P HA -0.015 nan 4.420 nan 0.000 0.272 195 P C 0.365 177.668 177.300 0.005 0.000 1.230 195 P CA -0.156 62.906 63.100 -0.064 0.000 0.788 195 P CB 0.721 32.295 31.700 -0.211 0.000 0.949 196 N N 0.554 119.254 118.700 -0.000 0.000 2.096 196 N HA -0.149 4.590 4.740 -0.001 0.000 0.195 196 N C 0.757 176.066 175.510 -0.336 0.000 1.017 196 N CA 2.105 55.067 53.050 -0.146 0.000 0.870 196 N CB -0.454 37.796 38.487 -0.396 0.000 1.024 196 N HN 0.675 nan 8.380 nan 0.000 0.434 197 G N -1.257 107.296 108.800 -0.411 0.000 2.649 197 G HA2 0.201 4.160 3.960 -0.001 0.000 0.290 197 G HA3 0.201 4.160 3.960 -0.001 0.000 0.290 197 G C -1.204 173.615 174.900 -0.136 0.000 1.426 197 G CA -0.473 44.379 45.100 -0.414 0.000 0.794 197 G HN 0.363 nan 8.290 nan 0.000 0.483 198 N N 0.994 119.552 118.700 -0.235 0.000 3.254 198 N HA 0.134 4.873 4.740 -0.001 0.000 0.308 198 N C -0.263 175.089 175.510 -0.263 0.000 1.281 198 N CA -0.057 52.848 53.050 -0.242 0.000 1.212 198 N CB 0.267 38.578 38.487 -0.293 0.000 1.478 198 N HN 0.264 nan 8.380 nan 0.000 0.548 199 R N -0.126 120.167 120.500 -0.346 0.000 2.744 199 R HA 0.219 4.559 4.340 -0.001 0.000 0.279 199 R C 1.089 177.016 176.300 -0.622 0.000 0.977 199 R CA -0.489 55.221 56.100 -0.652 0.000 0.906 199 R CB 1.580 31.020 30.300 -1.433 0.000 1.197 199 R HN 0.400 nan 8.270 nan 0.000 0.463 200 S N 1.048 116.442 115.700 -0.510 0.000 2.383 200 S HA -0.228 4.242 4.470 -0.001 0.000 0.229 200 S C 1.679 176.122 174.600 -0.262 0.000 1.030 200 S CA 1.612 59.619 58.200 -0.321 0.000 1.002 200 S CB -0.593 62.498 63.200 -0.181 0.000 0.829 200 S HN 0.746 nan 8.310 nan 0.000 0.467 201 Y N -0.979 119.173 120.300 -0.248 0.000 2.578 201 Y HA 0.374 4.924 4.550 -0.001 0.000 0.297 201 Y C 1.172 177.006 175.900 -0.111 0.000 1.176 201 Y CA -0.538 57.434 58.100 -0.214 0.000 1.315 201 Y CB -0.772 37.537 38.460 -0.253 0.000 1.031 201 Y HN 0.175 nan 8.280 nan 0.000 0.524 202 Y N -0.075 120.136 120.300 -0.148 0.000 2.467 202 Y HA 0.286 4.835 4.550 -0.001 0.000 0.250 202 Y C 1.671 177.525 175.900 -0.075 0.000 1.155 202 Y CA -1.072 56.987 58.100 -0.068 0.000 1.249 202 Y CB -0.255 38.112 38.460 -0.155 0.000 1.146 202 Y HN 0.222 nan 8.280 nan 0.000 0.524 203 L N -0.169 121.050 121.223 -0.006 0.000 2.191 203 L HA -0.193 4.147 4.340 -0.001 0.000 0.212 203 L C 2.247 179.203 176.870 0.142 0.000 1.103 203 L CA 1.653 56.464 54.840 -0.047 0.000 0.769 203 L CB -0.505 41.440 42.059 -0.191 0.000 0.908 203 L HN 0.221 nan 8.230 nan 0.000 0.438 204 S N 0.030 115.793 115.700 0.104 0.000 2.547 204 S HA -0.059 4.410 4.470 -0.001 0.000 0.235 204 S C 0.788 175.412 174.600 0.041 0.000 0.980 204 S CA -0.088 58.156 58.200 0.072 0.000 0.941 204 S CB -0.303 62.920 63.200 0.039 0.000 0.763 204 S HN 0.577 nan 8.310 nan 0.000 0.532 205 R N -1.496 119.060 120.500 0.093 0.000 2.795 205 R HA 0.761 5.100 4.340 -0.001 0.000 0.268 205 R C -0.426 175.939 176.300 0.109 0.000 1.041 205 R CA -0.736 55.396 56.100 0.054 0.000 0.927 205 R CB 0.872 31.204 30.300 0.054 0.000 1.235 205 R HN -0.018 nan 8.270 nan 0.000 0.463 206 S N -1.215 114.560 115.700 0.126 0.000 3.124 206 S HA 0.496 4.966 4.470 -0.001 0.000 0.234 206 S C -0.824 173.967 174.600 0.318 0.000 1.045 206 S CA -0.529 57.830 58.200 0.264 0.000 1.200 206 S CB 1.136 64.490 63.200 0.257 0.000 1.186 206 S HN 0.601 nan 8.310 nan 0.000 0.617 207 Q N -0.373 119.734 119.800 0.511 0.000 2.814 207 Q HA 0.390 4.729 4.340 -0.001 0.000 0.322 207 Q C -2.923 173.200 176.000 0.206 0.000 0.861 207 Q CA -2.026 53.909 55.803 0.218 0.000 0.773 207 Q CB 1.807 30.654 28.738 0.181 0.000 1.423 207 Q HN 0.297 nan 8.270 nan 0.000 0.495 208 P HA 0.004 nan 4.420 nan 0.000 0.261 208 P C -2.510 174.733 177.300 -0.096 0.000 1.183 208 P CA -0.406 62.649 63.100 -0.076 0.000 0.761 208 P CB -0.034 31.494 31.700 -0.288 0.000 0.785 209 P HA 0.142 nan 4.420 nan 0.000 0.277 209 P C -0.524 176.669 177.300 -0.179 0.000 1.354 209 P CA 0.153 63.196 63.100 -0.095 0.000 0.891 209 P CB 0.002 31.561 31.700 -0.234 0.000 1.058 210 F N 1.302 121.148 119.950 -0.174 0.000 2.682 210 F HA 0.177 4.703 4.527 -0.001 0.000 0.308 210 F C 1.891 177.777 175.800 0.142 0.000 1.093 210 F CA -0.265 57.698 58.000 -0.061 0.000 1.244 210 F CB -0.087 38.839 39.000 -0.123 0.000 1.052 210 F HN 0.121 nan 8.300 nan 0.000 0.573 211 F N 1.484 121.670 119.950 0.394 0.000 2.126 211 F HA -0.236 4.290 4.527 -0.002 0.000 0.299 211 F C 2.301 178.184 175.800 0.139 0.000 1.096 211 F CA 1.683 59.838 58.000 0.258 0.000 1.255 211 F CB -0.516 38.610 39.000 0.209 0.000 0.997 211 F HN -0.044 nan 8.300 nan 0.000 0.479 212 A N 0.374 123.218 122.820 0.041 0.000 1.940 212 A HA -0.156 4.163 4.320 -0.001 0.000 0.219 212 A C 2.306 179.799 177.584 -0.151 0.000 1.176 212 A CA 1.835 53.793 52.037 -0.131 0.000 0.631 212 A CB -1.187 17.769 19.000 -0.074 0.000 0.814 212 A HN 0.508 nan 8.150 nan 0.000 0.446 213 L N -1.268 119.884 121.223 -0.117 0.000 2.141 213 L HA -0.154 4.186 4.340 -0.001 0.000 0.209 213 L C 2.778 179.727 176.870 0.130 0.000 1.094 213 L CA 1.095 55.881 54.840 -0.090 0.000 0.763 213 L CB -0.377 41.474 42.059 -0.346 0.000 0.908 213 L HN 0.429 nan 8.230 nan 0.000 0.437 214 M N -1.259 118.423 119.600 0.136 0.000 2.117 214 M HA -0.186 4.293 4.480 -0.001 0.000 0.262 214 M C 2.259 178.560 176.300 0.002 0.000 1.065 214 M CA 1.383 56.802 55.300 0.198 0.000 1.114 214 M CB -0.369 32.331 32.600 0.167 0.000 1.361 214 M HN 0.060 nan 8.290 nan 0.000 0.408 215 V N 1.284 121.055 119.914 -0.238 0.000 2.307 215 V HA -0.266 3.853 4.120 -0.001 0.000 0.245 215 V C 2.271 178.352 176.094 -0.022 0.000 1.045 215 V CA 2.327 64.507 62.300 -0.201 0.000 1.024 215 V CB -1.180 30.445 31.823 -0.331 0.000 0.651 215 V HN 0.600 nan 8.190 nan 0.000 0.449 216 E N 0.791 120.985 120.200 -0.010 0.000 2.085 216 E HA -0.293 4.056 4.350 -0.001 0.000 0.194 216 E C 2.168 178.841 176.600 0.121 0.000 0.994 216 E CA 1.883 58.308 56.400 0.041 0.000 0.801 216 E CB -0.601 29.112 29.700 0.021 0.000 0.743 216 E HN 0.458 nan 8.360 nan 0.000 0.453 217 L N 0.705 122.045 121.223 0.195 0.000 2.017 217 L HA -0.111 4.228 4.340 -0.001 0.000 0.208 217 L C 2.358 179.422 176.870 0.324 0.000 1.073 217 L CA 1.582 56.585 54.840 0.272 0.000 0.745 217 L CB -0.656 41.562 42.059 0.265 0.000 0.894 217 L HN 0.314 nan 8.230 nan 0.000 0.432 218 L N 0.141 121.520 121.223 0.259 0.000 2.079 218 L HA -0.095 4.245 4.340 -0.001 0.000 0.210 218 L C 2.465 179.397 176.870 0.102 0.000 1.081 218 L CA 2.036 57.029 54.840 0.254 0.000 0.752 218 L CB -1.085 41.092 42.059 0.196 0.000 0.896 218 L HN 0.333 nan 8.230 nan 0.000 0.433 219 A N -1.440 121.426 122.820 0.078 0.000 2.067 219 A HA -0.216 4.103 4.320 -0.001 0.000 0.219 219 A C 2.121 179.695 177.584 -0.017 0.000 1.158 219 A CA 1.403 53.450 52.037 0.017 0.000 0.661 219 A CB -0.512 18.501 19.000 0.021 0.000 0.801 219 A HN 0.668 nan 8.150 nan 0.000 0.452 220 Q N -1.663 118.156 119.800 0.030 0.000 2.291 220 Q HA -0.170 4.169 4.340 -0.001 0.000 0.206 220 Q C 1.899 177.816 176.000 -0.139 0.000 0.976 220 Q CA 1.401 57.217 55.803 0.020 0.000 0.875 220 Q CB -0.163 28.680 28.738 0.175 0.000 0.927 220 Q HN 0.930 nan 8.270 nan 0.000 0.450 221 H N -0.154 118.597 119.070 -0.531 0.000 2.460 221 H HA 0.102 4.658 4.556 -0.001 0.000 0.297 221 H C 0.963 176.025 175.328 -0.443 0.000 1.023 221 H CA 0.509 56.058 56.048 -0.833 0.000 1.321 221 H CB 0.794 29.437 29.762 -1.864 0.000 1.455 221 H HN 0.191 nan 8.280 nan 0.000 0.539 222 E N 0.387 120.399 120.200 -0.312 0.000 2.474 222 E HA 0.176 4.525 4.350 -0.001 0.000 0.195 222 E C 0.850 177.359 176.600 -0.153 0.000 1.039 222 E CA 0.182 56.441 56.400 -0.235 0.000 0.881 222 E CB 1.072 30.716 29.700 -0.092 0.000 0.970 222 E HN 0.574 nan 8.360 nan 0.000 0.486 223 G N 2.146 110.868 108.800 -0.129 0.000 2.645 223 G HA2 -0.319 3.640 3.960 -0.001 0.000 0.246 223 G HA3 -0.319 3.640 3.960 -0.001 0.000 0.246 223 G C 0.097 174.969 174.900 -0.046 0.000 1.322 223 G CA 0.031 45.082 45.100 -0.081 0.000 0.898 223 G HN 0.174 nan 8.290 nan 0.000 0.573 224 D N 0.415 120.793 120.400 -0.038 0.000 2.310 224 D HA 0.159 4.798 4.640 -0.001 0.000 0.212 224 D C 2.672 178.961 176.300 -0.018 0.000 0.965 224 D CA 1.841 55.827 54.000 -0.023 0.000 0.879 224 D CB -0.610 40.176 40.800 -0.024 0.000 0.921 224 D HN 0.895 nan 8.370 nan 0.000 0.510 225 A N 1.026 123.829 122.820 -0.029 0.000 1.958 225 A HA -0.202 4.117 4.320 -0.001 0.000 0.221 225 A C 2.314 179.890 177.584 -0.013 0.000 1.178 225 A CA 2.304 54.323 52.037 -0.030 0.000 0.642 225 A CB -0.705 18.270 19.000 -0.041 0.000 0.816 225 A HN 0.269 nan 8.150 nan 0.000 0.453 226 A N -0.500 122.332 122.820 0.020 0.000 1.898 226 A HA 0.020 4.340 4.320 -0.001 0.000 0.216 226 A C 2.171 179.831 177.584 0.126 0.000 1.181 226 A CA 1.410 53.509 52.037 0.103 0.000 0.620 226 A CB -0.555 18.522 19.000 0.129 0.000 0.819 226 A HN 0.482 nan 8.150 nan 0.000 0.442 227 L N -0.612 120.648 121.223 0.061 0.000 2.046 227 L HA -0.217 4.122 4.340 -0.001 0.000 0.208 227 L C 2.578 179.473 176.870 0.041 0.000 1.077 227 L CA 1.815 56.683 54.840 0.046 0.000 0.747 227 L CB -0.462 41.599 42.059 0.005 0.000 0.896 227 L HN 0.349 nan 8.230 nan 0.000 0.432 228 K N -0.321 120.086 120.400 0.011 0.000 2.097 228 K HA -0.235 4.084 4.320 -0.001 0.000 0.205 228 K C 2.129 178.711 176.600 -0.029 0.000 1.050 228 K CA 1.309 57.593 56.287 -0.004 0.000 0.938 228 K CB -0.178 32.312 32.500 -0.016 0.000 0.718 228 K HN 0.315 nan 8.250 nan 0.000 0.442 229 Q N 0.105 119.854 119.800 -0.086 0.000 2.061 229 Q HA -0.183 4.156 4.340 -0.001 0.000 0.204 229 Q C 0.874 176.698 176.000 -0.293 0.000 0.984 229 Q CA 1.652 57.303 55.803 -0.254 0.000 0.846 229 Q CB 0.066 28.540 28.738 -0.439 0.000 0.902 229 Q HN 0.380 nan 8.270 nan 0.000 0.421 230 Y N -0.315 120.032 120.300 0.078 0.000 2.485 230 Y HA 0.057 4.606 4.550 -0.001 0.000 0.260 230 Y C 1.311 177.298 175.900 0.145 0.000 1.173 230 Y CA -0.306 57.880 58.100 0.144 0.000 1.252 230 Y CB 0.281 38.834 38.460 0.155 0.000 1.123 230 Y HN 0.198 nan 8.280 nan 0.000 0.524 231 L N 1.884 123.211 121.223 0.173 0.000 2.013 231 L HA -0.136 4.203 4.340 -0.001 0.000 0.212 231 L C -0.868 176.096 176.870 0.158 0.000 1.073 231 L CA 2.182 57.099 54.840 0.128 0.000 0.753 231 L CB -1.453 40.648 42.059 0.069 0.000 0.890 231 L HN 0.004 nan 8.230 nan 0.000 0.432 232 P HA -0.179 nan 4.420 nan 0.000 0.215 232 P C 1.412 178.819 177.300 0.178 0.000 1.153 232 P CA 1.506 64.689 63.100 0.139 0.000 0.853 232 P CB 0.004 31.763 31.700 0.099 0.000 0.788 233 Q N -1.677 118.273 119.800 0.250 0.000 2.172 233 Q HA 0.029 4.368 4.340 -0.001 0.000 0.200 233 Q C 2.192 178.372 176.000 0.301 0.000 0.964 233 Q CA 1.261 57.205 55.803 0.235 0.000 0.855 233 Q CB -0.765 28.125 28.738 0.253 0.000 0.918 233 Q HN 0.268 nan 8.270 nan 0.000 0.444 234 M N -0.131 119.726 119.600 0.429 0.000 2.117 234 M HA -0.218 4.261 4.480 -0.001 0.000 0.262 234 M C 2.023 178.476 176.300 0.256 0.000 1.065 234 M CA 1.561 57.087 55.300 0.377 0.000 1.114 234 M CB -0.254 32.480 32.600 0.224 0.000 1.361 234 M HN 0.245 nan 8.290 nan 0.000 0.408 235 Q N 0.105 120.028 119.800 0.205 0.000 2.079 235 Q HA -0.191 4.148 4.340 -0.001 0.000 0.200 235 Q C 2.066 178.238 176.000 0.286 0.000 0.974 235 Q CA 1.332 57.280 55.803 0.241 0.000 0.840 235 Q CB -0.187 28.686 28.738 0.225 0.000 0.898 235 Q HN 0.442 nan 8.270 nan 0.000 0.430 236 K N 1.079 121.610 120.400 0.218 0.000 2.097 236 K HA -0.201 4.118 4.320 -0.001 0.000 0.206 236 K C 1.957 178.688 176.600 0.218 0.000 1.049 236 K CA 1.205 57.599 56.287 0.179 0.000 0.933 236 K CB 0.067 32.629 32.500 0.104 0.000 0.717 236 K HN 0.134 nan 8.250 nan 0.000 0.442 237 E N -0.540 119.807 120.200 0.245 0.000 2.106 237 E HA -0.222 4.127 4.350 -0.001 0.000 0.192 237 E C 1.812 178.739 176.600 0.545 0.000 0.984 237 E CA 0.996 57.598 56.400 0.337 0.000 0.806 237 E CB -0.128 29.781 29.700 0.348 0.000 0.750 237 E HN 0.379 nan 8.360 nan 0.000 0.458 238 Y N 0.810 121.319 120.300 0.349 0.000 2.181 238 Y HA -0.178 4.371 4.550 -0.002 0.000 0.288 238 Y C 2.053 178.133 175.900 0.301 0.000 1.146 238 Y CA 1.504 59.808 58.100 0.340 0.000 1.164 238 Y CB -0.549 38.044 38.460 0.221 0.000 0.982 238 Y HN 0.094 nan 8.280 nan 0.000 0.515 239 A N -0.568 122.409 122.820 0.261 0.000 1.940 239 A HA -0.269 4.050 4.320 -0.001 0.000 0.219 239 A C 2.151 179.777 177.584 0.071 0.000 1.176 239 A CA 1.800 53.906 52.037 0.115 0.000 0.631 239 A CB -1.557 17.531 19.000 0.148 0.000 0.814 239 A HN 0.727 nan 8.150 nan 0.000 0.446 240 Y N -1.171 119.128 120.300 -0.002 0.000 2.114 240 Y HA -0.240 4.310 4.550 -0.001 0.000 0.284 240 Y C 2.096 177.865 175.900 -0.218 0.000 1.143 240 Y CA 1.924 59.943 58.100 -0.134 0.000 1.135 240 Y CB -0.590 37.756 38.460 -0.190 0.000 0.980 240 Y HN 0.414 nan 8.280 nan 0.000 0.499 241 W N -0.302 120.956 121.300 -0.069 0.000 2.363 241 W HA -0.215 4.444 4.660 -0.002 0.000 0.296 241 W C 1.874 178.200 176.519 -0.322 0.000 1.212 241 W CA 1.002 58.215 57.345 -0.221 0.000 1.260 241 W CB -0.231 29.197 29.460 -0.054 0.000 1.131 241 W HN 0.077 nan 8.180 nan 0.000 0.530 242 M N -0.082 119.423 119.600 -0.158 0.000 2.495 242 M HA 0.078 4.557 4.480 -0.001 0.000 0.237 242 M C -0.188 175.997 176.300 -0.192 0.000 1.131 242 M CA 0.337 55.499 55.300 -0.230 0.000 1.032 242 M CB -1.529 30.836 32.600 -0.390 0.000 1.513 242 M HN -0.205 nan 8.290 nan 0.000 0.488 243 D N 1.094 121.366 120.400 -0.214 0.000 2.412 243 D HA 0.335 4.974 4.640 -0.001 0.000 0.257 243 D C 1.287 177.472 176.300 -0.192 0.000 1.217 243 D CA 1.657 55.549 54.000 -0.179 0.000 0.897 243 D CB 0.427 41.110 40.800 -0.194 0.000 1.132 243 D HN 0.557 nan 8.370 nan 0.000 0.493 244 G N 1.993 110.707 108.800 -0.143 0.000 2.255 244 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.196 244 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.196 244 G C 1.207 176.034 174.900 -0.121 0.000 0.998 244 G CA 0.275 45.287 45.100 -0.146 0.000 0.656 244 G HN 0.855 nan 8.290 nan 0.000 0.490 245 V N -0.903 118.944 119.914 -0.110 0.000 2.407 245 V HA 0.144 4.263 4.120 -0.001 0.000 0.248 245 V C 1.172 177.228 176.094 -0.063 0.000 1.055 245 V CA 2.121 64.370 62.300 -0.085 0.000 1.049 245 V CB -0.531 31.247 31.823 -0.074 0.000 0.662 245 V HN 0.525 nan 8.190 nan 0.000 0.455 246 E N 1.263 121.429 120.200 -0.056 0.000 2.417 246 E HA 0.001 4.350 4.350 -0.001 0.000 0.261 246 E C 0.860 177.433 176.600 -0.044 0.000 1.000 246 E CA 0.634 57.009 56.400 -0.041 0.000 0.919 246 E CB -0.098 29.582 29.700 -0.033 0.000 0.955 246 E HN 0.552 nan 8.360 nan 0.000 0.455 247 N N 2.129 120.808 118.700 -0.036 0.000 2.965 247 N HA -0.218 4.522 4.740 -0.001 0.000 0.232 247 N C -0.925 174.559 175.510 -0.043 0.000 0.913 247 N CA 0.603 53.632 53.050 -0.035 0.000 0.981 247 N CB -1.001 37.466 38.487 -0.034 0.000 1.077 247 N HN 0.410 nan 8.380 nan 0.000 0.589 248 L N 1.771 122.963 121.223 -0.052 0.000 2.410 248 L HA 0.302 4.642 4.340 -0.001 0.000 0.273 248 L C 0.292 177.134 176.870 -0.046 0.000 1.152 248 L CA 0.456 55.261 54.840 -0.059 0.000 0.855 248 L CB 0.817 42.831 42.059 -0.076 0.000 1.129 248 L HN 0.075 nan 8.230 nan 0.000 0.463 249 Q N 3.365 123.139 119.800 -0.043 0.000 2.241 249 Q HA 0.561 4.901 4.340 -0.001 0.000 0.262 249 Q C -0.325 175.654 176.000 -0.034 0.000 1.014 249 Q CA -0.709 55.074 55.803 -0.033 0.000 0.885 249 Q CB 1.335 30.057 28.738 -0.027 0.000 1.311 249 Q HN 0.793 nan 8.270 nan 0.000 0.461 250 A N 0.126 122.930 122.820 -0.027 0.000 2.567 250 A HA 0.368 4.688 4.320 -0.001 0.000 0.240 250 A C 1.141 178.714 177.584 -0.018 0.000 1.053 250 A CA 1.127 53.149 52.037 -0.026 0.000 0.755 250 A CB -0.763 18.225 19.000 -0.019 0.000 0.978 250 A HN 1.079 nan 8.150 nan 0.000 0.507 251 G N 1.369 110.161 108.800 -0.013 0.000 2.143 251 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.249 251 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.249 251 G C 0.046 174.950 174.900 0.006 0.000 0.981 251 G CA 0.616 45.726 45.100 0.016 0.000 0.665 251 G HN 0.996 nan 8.290 nan 0.000 0.528 252 Q N -0.907 118.878 119.800 -0.026 0.000 2.351 252 Q HA 0.708 5.047 4.340 -0.001 0.000 0.273 252 Q C -0.578 175.375 176.000 -0.078 0.000 1.077 252 Q CA -0.795 54.980 55.803 -0.047 0.000 0.843 252 Q CB 1.409 30.114 28.738 -0.055 0.000 1.367 252 Q HN 0.337 nan 8.270 nan 0.000 0.449 253 Q N 0.703 120.437 119.800 -0.109 0.000 2.372 253 Q HA 0.560 4.899 4.340 -0.001 0.000 0.273 253 Q C -1.568 174.284 176.000 -0.246 0.000 1.078 253 Q CA -0.722 54.977 55.803 -0.173 0.000 0.806 253 Q CB 2.462 31.094 28.738 -0.178 0.000 1.332 253 Q HN 0.393 nan 8.270 nan 0.000 0.435 254 E N 1.603 121.613 120.200 -0.317 0.000 2.287 254 E HA 0.407 4.757 4.350 -0.001 0.000 0.274 254 E C -1.008 175.262 176.600 -0.550 0.000 0.896 254 E CA -0.371 55.794 56.400 -0.391 0.000 0.788 254 E CB 0.586 30.133 29.700 -0.254 0.000 1.244 254 E HN 0.572 nan 8.360 nan 0.000 0.408 255 K N 1.986 121.834 120.400 -0.921 0.000 1.699 255 K HA -0.335 3.985 4.320 -0.001 0.000 0.127 255 K C 0.444 176.518 176.600 -0.877 0.000 1.157 255 K CA 1.980 57.553 56.287 -1.189 0.000 0.341 255 K CB -0.698 31.452 32.500 -0.584 0.000 0.645 255 K HN 0.567 nan 8.250 nan 0.000 0.848 256 R N 1.097 121.320 120.500 -0.461 0.000 2.334 256 R HA 0.122 4.462 4.340 -0.001 0.000 0.220 256 R C -0.178 176.030 176.300 -0.153 0.000 0.917 256 R CA 0.307 56.286 56.100 -0.200 0.000 1.073 256 R CB 0.350 30.568 30.300 -0.136 0.000 1.056 256 R HN 0.305 nan 8.270 nan 0.000 0.506 257 V N -1.687 118.090 119.914 -0.227 0.000 2.581 257 V HA 0.710 4.829 4.120 -0.001 0.000 0.303 257 V C -0.046 175.949 176.094 -0.166 0.000 1.041 257 V CA -1.221 60.980 62.300 -0.166 0.000 0.907 257 V CB 1.774 33.499 31.823 -0.162 0.000 0.994 257 V HN -0.096 nan 8.190 nan 0.000 0.442 258 V N 1.264 121.104 119.914 -0.124 0.000 2.656 258 V HA 0.727 4.846 4.120 -0.001 0.000 0.307 258 V C -0.551 175.483 176.094 -0.100 0.000 1.051 258 V CA -0.818 61.417 62.300 -0.109 0.000 0.893 258 V CB 1.620 33.393 31.823 -0.084 0.000 0.999 258 V HN 1.135 nan 8.190 nan 0.000 0.426 259 K N 4.980 125.325 120.400 -0.091 0.000 2.394 259 K HA 0.638 4.957 4.320 -0.001 0.000 0.260 259 K C -0.693 175.855 176.600 -0.086 0.000 0.967 259 K CA -0.756 55.479 56.287 -0.087 0.000 0.855 259 K CB 1.420 33.879 32.500 -0.069 0.000 1.101 259 K HN 0.896 nan 8.250 nan 0.000 0.433 260 L N 3.208 124.348 121.223 -0.139 0.000 2.475 260 L HA 0.083 4.422 4.340 -0.001 0.000 0.250 260 L C 1.687 178.510 176.870 -0.079 0.000 1.224 260 L CA -0.081 54.666 54.840 -0.155 0.000 0.821 260 L CB 0.440 42.242 42.059 -0.429 0.000 1.141 260 L HN 0.751 nan 8.230 nan 0.000 0.494 261 Q N 0.360 120.141 119.800 -0.030 0.000 2.226 261 Q HA -0.197 4.142 4.340 -0.001 0.000 0.204 261 Q C 0.893 176.890 176.000 -0.004 0.000 0.975 261 Q CA 1.561 57.361 55.803 -0.006 0.000 0.866 261 Q CB -0.071 28.669 28.738 0.004 0.000 0.915 261 Q HN 0.698 nan 8.270 nan 0.000 0.440 262 D N -1.596 118.805 120.400 0.002 0.000 2.319 262 D HA 0.047 4.686 4.640 -0.001 0.000 0.230 262 D C 1.044 177.348 176.300 0.006 0.000 1.094 262 D CA 0.754 54.770 54.000 0.026 0.000 0.856 262 D CB 0.195 41.047 40.800 0.085 0.000 0.915 262 D HN 0.265 nan 8.370 nan 0.000 0.517 263 G N -0.446 108.339 108.800 -0.025 0.000 2.195 263 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.246 263 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.246 263 G C 0.470 175.347 174.900 -0.039 0.000 0.984 263 G CA 0.207 45.291 45.100 -0.026 0.000 0.633 263 G HN 0.450 nan 8.290 nan 0.000 0.525 264 T N 1.731 116.249 114.554 -0.061 0.000 2.902 264 T HA 0.432 4.782 4.350 -0.001 0.000 0.301 264 T C 0.607 175.249 174.700 -0.097 0.000 1.012 264 T CA 0.375 62.434 62.100 -0.068 0.000 1.151 264 T CB 0.935 69.733 68.868 -0.118 0.000 0.946 264 T HN 0.343 nan 8.240 nan 0.000 0.542 265 L N 4.784 125.977 121.223 -0.050 0.000 2.282 265 L HA 0.603 4.942 4.340 -0.001 0.000 0.288 265 L C -0.153 176.690 176.870 -0.045 0.000 1.033 265 L CA -0.494 54.316 54.840 -0.050 0.000 0.807 265 L CB 0.757 42.804 42.059 -0.021 0.000 1.209 265 L HN 0.433 nan 8.230 nan 0.000 0.423 266 L N 2.852 124.032 121.223 -0.071 0.000 2.322 266 L HA 0.536 4.875 4.340 -0.001 0.000 0.252 266 L C -0.907 175.917 176.870 -0.077 0.000 1.055 266 L CA -0.861 53.939 54.840 -0.066 0.000 0.849 266 L CB 2.520 44.530 42.059 -0.081 0.000 1.446 266 L HN 0.498 nan 8.230 nan 0.000 0.416 267 N N -0.534 118.111 118.700 -0.092 0.000 2.402 267 N HA 0.749 5.488 4.740 -0.001 0.000 0.294 267 N C -1.415 174.008 175.510 -0.145 0.000 1.203 267 N CA -0.896 52.093 53.050 -0.101 0.000 0.838 267 N CB 1.777 40.211 38.487 -0.088 0.000 1.306 267 N HN 0.464 nan 8.380 nan 0.000 0.510 268 R N -0.631 119.795 120.500 -0.123 0.000 2.855 268 R HA 0.498 4.837 4.340 -0.001 0.000 0.266 268 R C -1.382 174.845 176.300 -0.122 0.000 1.034 268 R CA -0.813 55.197 56.100 -0.151 0.000 0.944 268 R CB 0.536 30.812 30.300 -0.040 0.000 1.219 268 R HN 0.346 nan 8.270 nan 0.000 0.474 269 Y N 0.366 120.704 120.300 0.062 0.000 2.309 269 Y HA 0.303 4.853 4.550 -0.001 0.000 0.327 269 Y C -0.077 175.925 175.900 0.169 0.000 1.172 269 Y CA 0.157 58.314 58.100 0.095 0.000 1.280 269 Y CB 0.937 39.337 38.460 -0.102 0.000 1.234 269 Y HN 0.414 nan 8.280 nan 0.000 0.512 270 W N 3.579 124.931 121.300 0.087 0.000 3.167 270 W HA 0.304 4.964 4.660 -0.000 0.000 0.324 270 W C -2.037 174.474 176.519 -0.012 0.000 1.230 270 W CA -0.701 56.635 57.345 -0.014 0.000 1.184 270 W CB 2.405 31.812 29.460 -0.087 0.000 1.414 270 W HN 0.499 nan 8.180 nan 0.000 0.551 271 D N 2.278 122.274 120.400 -0.673 0.000 2.780 271 D HA 0.106 4.745 4.640 -0.001 0.000 0.242 271 D C 0.422 176.247 176.300 -0.793 0.000 1.135 271 D CA -0.208 53.498 54.000 -0.490 0.000 0.859 271 D CB 1.958 42.588 40.800 -0.284 0.000 1.530 271 D HN 0.455 nan 8.370 nan 0.000 0.493 272 D N 1.937 122.146 120.400 -0.319 0.000 2.363 272 D HA -0.012 4.627 4.640 -0.001 0.000 0.226 272 D C 0.203 176.436 176.300 -0.111 0.000 1.020 272 D CA 0.424 54.347 54.000 -0.129 0.000 0.892 272 D CB 0.203 41.049 40.800 0.077 0.000 0.900 272 D HN 0.138 nan 8.370 nan 0.000 0.531 273 R N 0.068 120.472 120.500 -0.161 0.000 2.720 273 R HA 0.409 4.748 4.340 -0.001 0.000 0.272 273 R C -0.618 175.607 176.300 -0.125 0.000 0.991 273 R CA -0.617 55.431 56.100 -0.088 0.000 1.010 273 R CB 1.035 31.318 30.300 -0.029 0.000 1.141 273 R HN 0.052 nan 8.270 nan 0.000 0.494 274 D N -0.587 119.789 120.400 -0.040 0.000 2.895 274 D HA 0.049 4.688 4.640 -0.001 0.000 0.350 274 D C -0.532 175.835 176.300 0.112 0.000 1.389 274 D CA -0.407 53.602 54.000 0.016 0.000 0.812 274 D CB 0.384 41.196 40.800 0.020 0.000 1.164 274 D HN 0.498 nan 8.370 nan 0.000 0.455 275 T N -3.882 110.660 114.554 -0.021 0.000 2.926 275 T HA 0.699 5.048 4.350 -0.001 0.000 0.289 275 T C -2.990 171.371 174.700 -0.566 0.000 1.054 275 T CA -2.378 59.569 62.100 -0.255 0.000 1.015 275 T CB 1.833 70.641 68.868 -0.100 0.000 1.167 275 T HN -0.285 nan 8.240 nan 0.000 0.526 276 P HA 0.208 nan 4.420 nan 0.000 0.267 276 P C -0.329 176.872 177.300 -0.164 0.000 1.200 276 P CA -0.360 62.244 63.100 -0.827 0.000 0.772 276 P CB 0.306 31.269 31.700 -1.229 0.000 0.855 277 R N 4.541 125.054 120.500 0.023 0.000 2.449 277 R HA 0.051 4.391 4.340 -0.001 0.000 0.296 277 R C -1.480 175.027 176.300 0.345 0.000 1.047 277 R CA -1.014 55.200 56.100 0.190 0.000 1.018 277 R CB -0.322 30.115 30.300 0.228 0.000 0.962 277 R HN 0.433 nan 8.270 nan 0.000 0.428 278 P HA -0.244 nan 4.420 nan 0.000 0.216 278 P C 0.872 178.310 177.300 0.231 0.000 1.150 278 P CA 1.245 64.558 63.100 0.356 0.000 0.843 278 P CB 0.198 31.840 31.700 -0.096 0.000 0.787 279 E N -1.111 119.037 120.200 -0.086 0.000 2.427 279 E HA -0.008 4.341 4.350 -0.001 0.000 0.196 279 E C 0.566 177.237 176.600 0.117 0.000 1.028 279 E CA 0.848 57.164 56.400 -0.141 0.000 0.864 279 E CB -0.425 29.064 29.700 -0.352 0.000 0.813 279 E HN 0.043 nan 8.360 nan 0.000 0.514 280 S N 0.387 116.221 115.700 0.224 0.000 2.694 280 S HA 0.131 4.601 4.470 -0.001 0.000 0.232 280 S C 0.074 174.838 174.600 0.272 0.000 1.017 280 S CA -0.788 57.566 58.200 0.257 0.000 1.139 280 S CB -0.605 62.774 63.200 0.298 0.000 1.247 280 S HN 0.430 nan 8.310 nan 0.000 0.452 281 W N 1.528 122.871 121.300 0.073 0.000 2.329 281 W HA -0.227 4.433 4.660 -0.001 0.000 0.324 281 W C 1.836 178.377 176.519 0.036 0.000 1.222 281 W CA 2.471 59.847 57.345 0.051 0.000 1.270 281 W CB -0.583 28.902 29.460 0.042 0.000 1.167 281 W HN 0.408 nan 8.180 nan 0.000 0.467 282 V N -0.271 119.789 119.914 0.244 0.000 2.490 282 V HA -0.245 3.875 4.120 -0.001 0.000 0.250 282 V C 1.871 177.999 176.094 0.057 0.000 1.061 282 V CA 2.407 64.770 62.300 0.105 0.000 1.064 282 V CB -1.043 30.857 31.823 0.128 0.000 0.670 282 V HN 0.063 nan 8.190 nan 0.000 0.461 283 E N 1.127 121.386 120.200 0.098 0.000 2.058 283 E HA -0.189 4.161 4.350 -0.001 0.000 0.194 283 E C 1.981 178.615 176.600 0.057 0.000 0.997 283 E CA 1.991 58.445 56.400 0.089 0.000 0.801 283 E CB -0.447 29.340 29.700 0.145 0.000 0.746 283 E HN 0.676 nan 8.360 nan 0.000 0.450 284 D N -0.078 120.355 120.400 0.054 0.000 2.117 284 D HA -0.083 4.556 4.640 -0.001 0.000 0.198 284 D C 1.969 178.350 176.300 0.136 0.000 0.982 284 D CA 0.686 54.735 54.000 0.082 0.000 0.828 284 D CB -0.179 40.645 40.800 0.039 0.000 0.967 284 D HN 0.164 nan 8.370 nan 0.000 0.464 285 I N 1.080 121.631 120.570 -0.031 0.000 2.208 285 I HA -0.289 3.880 4.170 -0.001 0.000 0.245 285 I C 2.396 178.527 176.117 0.022 0.000 1.097 285 I CA 1.158 62.453 61.300 -0.009 0.000 1.363 285 I CB -0.191 37.701 38.000 -0.179 0.000 1.051 285 I HN -0.057 nan 8.210 nan 0.000 0.413 286 A N 0.190 123.015 122.820 0.008 0.000 1.898 286 A HA -0.187 4.133 4.320 -0.001 0.000 0.216 286 A C 2.374 179.954 177.584 -0.005 0.000 1.181 286 A CA 2.329 54.369 52.037 0.005 0.000 0.620 286 A CB -1.041 17.966 19.000 0.013 0.000 0.819 286 A HN 0.383 nan 8.150 nan 0.000 0.442 287 T N 0.382 114.933 114.554 -0.004 0.000 2.708 287 T HA -0.049 4.300 4.350 -0.001 0.000 0.266 287 T C 2.226 176.887 174.700 -0.065 0.000 1.037 287 T CA 1.705 63.783 62.100 -0.036 0.000 1.146 287 T CB -0.455 68.379 68.868 -0.057 0.000 0.865 287 T HN 0.592 nan 8.240 nan 0.000 0.435 288 A N 1.570 124.343 122.820 -0.079 0.000 1.898 288 A HA -0.076 4.243 4.320 -0.001 0.000 0.216 288 A C 2.211 179.724 177.584 -0.118 0.000 1.181 288 A CA 1.901 53.823 52.037 -0.192 0.000 0.620 288 A CB -0.556 18.191 19.000 -0.422 0.000 0.819 288 A HN 0.503 nan 8.150 nan 0.000 0.442 289 K N 0.623 120.986 120.400 -0.061 0.000 2.152 289 K HA -0.162 4.157 4.320 -0.001 0.000 0.206 289 K C 1.997 178.573 176.600 -0.040 0.000 1.048 289 K CA 1.842 58.105 56.287 -0.041 0.000 0.933 289 K CB -0.215 32.274 32.500 -0.018 0.000 0.721 289 K HN 0.578 nan 8.250 nan 0.000 0.447 290 S N -0.137 115.539 115.700 -0.039 0.000 2.555 290 S HA -0.067 4.402 4.470 -0.001 0.000 0.230 290 S C 0.598 175.176 174.600 -0.037 0.000 0.978 290 S CA 0.366 58.547 58.200 -0.032 0.000 0.934 290 S CB -0.036 63.148 63.200 -0.027 0.000 0.766 290 S HN 0.277 nan 8.310 nan 0.000 0.533 291 N N 1.658 120.326 118.700 -0.052 0.000 2.790 291 N HA 0.361 5.101 4.740 -0.001 0.000 0.256 291 N C -2.408 173.066 175.510 -0.060 0.000 1.409 291 N CA -2.064 50.954 53.050 -0.052 0.000 0.799 291 N CB 1.593 40.045 38.487 -0.058 0.000 1.170 291 N HN 0.048 nan 8.380 nan 0.000 0.507 292 P HA -0.007 nan 4.420 nan 0.000 0.234 292 P C -0.003 177.273 177.300 -0.039 0.000 1.167 292 P CA 0.792 63.865 63.100 -0.044 0.000 0.763 292 P CB 0.248 31.929 31.700 -0.030 0.000 0.835 293 N N -0.520 118.159 118.700 -0.036 0.000 2.449 293 N HA 0.053 4.793 4.740 -0.001 0.000 0.191 293 N C 0.408 175.897 175.510 -0.035 0.000 1.161 293 N CA -0.028 53.004 53.050 -0.029 0.000 0.863 293 N CB 0.044 38.518 38.487 -0.022 0.000 0.980 293 N HN 0.129 nan 8.380 nan 0.000 0.458 294 R N 0.582 121.051 120.500 -0.051 0.000 2.744 294 R HA 0.377 4.716 4.340 -0.001 0.000 0.279 294 R C -2.820 173.431 176.300 -0.081 0.000 0.977 294 R CA -1.936 54.128 56.100 -0.060 0.000 0.906 294 R CB 1.497 31.755 30.300 -0.070 0.000 1.197 294 R HN -0.131 nan 8.270 nan 0.000 0.463 295 P HA 0.007 nan 4.420 nan 0.000 0.268 295 P C 0.065 177.265 177.300 -0.166 0.000 1.204 295 P CA 0.192 63.239 63.100 -0.088 0.000 0.768 295 P CB 0.901 32.569 31.700 -0.053 0.000 0.842 296 A N 3.542 126.230 122.820 -0.219 0.000 1.908 296 A HA -0.207 4.113 4.320 -0.001 0.000 0.218 296 A C 2.023 179.254 177.584 -0.589 0.000 1.181 296 A CA 2.508 54.259 52.037 -0.476 0.000 0.627 296 A CB -1.971 16.785 19.000 -0.407 0.000 0.818 296 A HN 0.617 nan 8.150 nan 0.000 0.445 297 T N -1.933 112.495 114.554 -0.209 0.000 2.759 297 T HA -0.209 4.140 4.350 -0.001 0.000 0.269 297 T C 1.721 176.385 174.700 -0.060 0.000 1.042 297 T CA 1.600 63.683 62.100 -0.029 0.000 1.140 297 T CB -0.361 68.529 68.868 0.036 0.000 0.864 297 T HN 0.659 nan 8.240 nan 0.000 0.455 298 E N 0.811 120.955 120.200 -0.094 0.000 2.072 298 E HA -0.065 4.284 4.350 -0.001 0.000 0.191 298 E C 2.193 178.737 176.600 -0.093 0.000 0.985 298 E CA 0.948 57.310 56.400 -0.063 0.000 0.801 298 E CB -0.252 29.420 29.700 -0.047 0.000 0.750 298 E HN 0.624 nan 8.360 nan 0.000 0.452 299 I N 0.380 120.841 120.570 -0.182 0.000 2.226 299 I HA -0.280 3.889 4.170 -0.001 0.000 0.245 299 I C 2.044 178.102 176.117 -0.098 0.000 1.100 299 I CA 0.962 62.154 61.300 -0.181 0.000 1.374 299 I CB -0.341 37.493 38.000 -0.277 0.000 1.057 299 I HN 0.193 nan 8.210 nan 0.000 0.413 300 Y N 0.642 120.902 120.300 -0.066 0.000 2.145 300 Y HA -0.259 4.290 4.550 -0.001 0.000 0.286 300 Y C 2.717 178.564 175.900 -0.087 0.000 1.145 300 Y CA 1.230 59.289 58.100 -0.070 0.000 1.148 300 Y CB -1.033 37.380 38.460 -0.079 0.000 0.981 300 Y HN 0.071 nan 8.280 nan 0.000 0.507 301 R N 0.705 121.218 120.500 0.021 0.000 2.103 301 R HA -0.159 4.181 4.340 -0.001 0.000 0.242 301 R C 1.647 177.870 176.300 -0.129 0.000 1.142 301 R CA 2.088 58.098 56.100 -0.150 0.000 0.960 301 R CB -0.508 29.657 30.300 -0.224 0.000 0.858 301 R HN 0.220 nan 8.270 nan 0.000 0.439 302 D N -0.327 120.039 120.400 -0.057 0.000 2.183 302 D HA -0.069 4.570 4.640 -0.001 0.000 0.203 302 D C 1.896 178.198 176.300 0.003 0.000 0.969 302 D CA 0.924 54.898 54.000 -0.044 0.000 0.842 302 D CB -0.010 40.778 40.800 -0.021 0.000 0.957 302 D HN 0.255 nan 8.370 nan 0.000 0.484 303 L N 0.447 121.711 121.223 0.068 0.000 2.017 303 L HA -0.123 4.216 4.340 -0.001 0.000 0.208 303 L C 2.590 179.602 176.870 0.238 0.000 1.073 303 L CA 1.158 56.127 54.840 0.215 0.000 0.745 303 L CB -0.213 41.955 42.059 0.182 0.000 0.894 303 L HN -0.096 nan 8.230 nan 0.000 0.432 304 R N -0.162 120.405 120.500 0.112 0.000 2.105 304 R HA -0.148 4.192 4.340 -0.001 0.000 0.239 304 R C 2.532 178.814 176.300 -0.030 0.000 1.135 304 R CA 1.719 57.852 56.100 0.056 0.000 0.967 304 R CB -0.431 29.861 30.300 -0.013 0.000 0.861 304 R HN 0.489 nan 8.270 nan 0.000 0.442 305 S N 0.326 115.967 115.700 -0.098 0.000 2.406 305 S HA 0.019 4.489 4.470 -0.001 0.000 0.228 305 S C 2.191 176.625 174.600 -0.276 0.000 1.020 305 S CA 0.657 58.770 58.200 -0.145 0.000 0.965 305 S CB 0.010 63.135 63.200 -0.125 0.000 0.798 305 S HN 0.345 nan 8.310 nan 0.000 0.488 306 A N 2.166 124.818 122.820 -0.280 0.000 1.933 306 A HA 0.314 4.633 4.320 -0.001 0.000 0.218 306 A C 2.494 179.895 177.584 -0.306 0.000 1.175 306 A CA 1.562 53.349 52.037 -0.418 0.000 0.628 306 A CB -1.384 17.570 19.000 -0.076 0.000 0.814 306 A HN 0.771 nan 8.150 nan 0.000 0.444 307 A N -0.004 122.719 122.820 -0.162 0.000 1.902 307 A HA 0.133 4.452 4.320 -0.001 0.000 0.217 307 A C 2.475 179.943 177.584 -0.192 0.000 1.181 307 A CA 2.052 54.006 52.037 -0.139 0.000 0.623 307 A CB -0.988 18.032 19.000 0.033 0.000 0.818 307 A HN 1.092 nan 8.150 nan 0.000 0.443 308 A N 0.240 122.940 122.820 -0.201 0.000 2.019 308 A HA -0.072 4.248 4.320 -0.001 0.000 0.219 308 A C 2.399 179.606 177.584 -0.628 0.000 1.164 308 A CA 2.136 54.050 52.037 -0.204 0.000 0.644 308 A CB -0.841 18.146 19.000 -0.022 0.000 0.805 308 A HN 1.057 nan 8.150 nan 0.000 0.449 309 S N -1.987 113.119 115.700 -0.990 0.000 2.522 309 S HA 0.308 4.778 4.470 -0.001 0.000 0.227 309 S C 1.640 175.661 174.600 -0.966 0.000 0.986 309 S CA 1.229 58.431 58.200 -1.664 0.000 0.929 309 S CB -0.358 62.160 63.200 -1.137 0.000 0.769 309 S HN 1.894 nan 8.310 nan 0.000 0.529 310 G N 0.072 108.494 108.800 -0.630 0.000 2.284 310 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.247 310 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.247 310 G C -0.110 174.471 174.900 -0.532 0.000 1.012 310 G CA 0.187 45.023 45.100 -0.440 0.000 0.618 310 G HN 0.546 nan 8.290 nan 0.000 0.521 311 W N 3.697 124.434 121.300 -0.938 0.000 1.919 311 W HA 0.489 5.149 4.660 -0.000 0.000 0.347 311 W C -0.101 176.155 176.519 -0.438 0.000 0.698 311 W CA -1.090 55.506 57.345 -1.250 0.000 2.240 311 W CB 0.039 29.148 29.460 -0.585 0.000 2.021 311 W HN 0.314 nan 8.180 nan 0.000 0.527 312 D N 0.552 120.774 120.400 -0.297 0.000 2.411 312 D HA 0.272 4.911 4.640 -0.001 0.000 0.225 312 D C -0.427 175.768 176.300 -0.176 0.000 1.156 312 D CA -0.151 53.425 54.000 -0.707 0.000 0.874 312 D CB 0.462 40.648 40.800 -1.023 0.000 1.034 312 D HN -0.067 nan 8.370 nan 0.000 0.502 313 F N 0.336 120.600 119.950 0.524 0.000 2.664 313 F HA 0.600 5.126 4.527 -0.002 0.000 0.329 313 F C 0.366 176.449 175.800 0.471 0.000 1.090 313 F CA -1.066 57.208 58.000 0.457 0.000 0.978 313 F CB 2.230 41.431 39.000 0.334 0.000 1.378 313 F HN 0.271 nan 8.300 nan 0.000 0.495 314 S N -1.022 115.052 115.700 0.624 0.000 2.537 314 S HA 0.326 4.795 4.470 -0.001 0.000 0.271 314 S C 0.346 175.071 174.600 0.208 0.000 1.148 314 S CA -0.050 58.370 58.200 0.367 0.000 0.868 314 S CB 1.203 64.586 63.200 0.305 0.000 1.115 314 S HN 0.793 nan 8.310 nan 0.000 0.461 315 S N 3.388 119.173 115.700 0.140 0.000 2.440 315 S HA -0.179 4.290 4.470 -0.001 0.000 0.238 315 S C 1.781 176.367 174.600 -0.023 0.000 1.010 315 S CA 1.269 59.514 58.200 0.074 0.000 0.972 315 S CB -0.536 62.700 63.200 0.059 0.000 0.774 315 S HN 0.774 nan 8.310 nan 0.000 0.501 316 R N 0.376 120.771 120.500 -0.175 0.000 2.139 316 R HA -0.133 4.207 4.340 -0.001 0.000 0.243 316 R C 1.214 177.279 176.300 -0.391 0.000 1.145 316 R CA 1.976 57.804 56.100 -0.454 0.000 0.976 316 R CB -0.303 29.434 30.300 -0.938 0.000 0.866 316 R HN 0.719 nan 8.270 nan 0.000 0.449 317 W N -0.407 120.940 121.300 0.078 0.000 3.278 317 W HA 0.303 4.962 4.660 -0.002 0.000 0.308 317 W C 0.001 176.551 176.519 0.052 0.000 1.253 317 W CA -0.886 56.493 57.345 0.057 0.000 1.759 317 W CB 0.404 29.918 29.460 0.091 0.000 1.093 317 W HN -0.107 nan 8.180 nan 0.000 0.648 318 M N 0.716 120.438 119.600 0.203 0.000 2.364 318 M HA 0.211 4.690 4.480 -0.001 0.000 0.334 318 M C 0.181 176.530 176.300 0.082 0.000 1.107 318 M CA -0.490 54.895 55.300 0.142 0.000 0.988 318 M CB 1.977 34.654 32.600 0.128 0.000 1.673 318 M HN -0.211 nan 8.290 nan 0.000 0.441 319 D N 0.829 121.266 120.400 0.063 0.000 2.117 319 D HA -0.083 4.557 4.640 -0.001 0.000 0.198 319 D C 0.395 176.714 176.300 0.032 0.000 0.982 319 D CA 1.494 55.516 54.000 0.038 0.000 0.828 319 D CB 0.113 40.929 40.800 0.026 0.000 0.967 319 D HN 0.389 nan 8.370 nan 0.000 0.464 320 N N -0.179 118.542 118.700 0.035 0.000 2.479 320 N HA 0.132 4.871 4.740 -0.001 0.000 0.261 320 N C -2.175 173.359 175.510 0.041 0.000 0.979 320 N CA -2.135 50.934 53.050 0.030 0.000 0.930 320 N CB 1.919 40.419 38.487 0.022 0.000 1.172 320 N HN -0.205 nan 8.380 nan 0.000 0.499 321 P HA -0.094 nan 4.420 nan 0.000 0.225 321 P C 0.321 177.653 177.300 0.053 0.000 1.148 321 P CA 1.090 64.222 63.100 0.053 0.000 0.779 321 P CB 0.572 32.298 31.700 0.044 0.000 0.780 322 Q N -0.903 118.920 119.800 0.039 0.000 2.360 322 Q HA 0.126 4.465 4.340 -0.001 0.000 0.202 322 Q C 0.380 176.397 176.000 0.029 0.000 0.915 322 Q CA 0.617 56.441 55.803 0.034 0.000 0.943 322 Q CB 0.347 29.101 28.738 0.026 0.000 1.064 322 Q HN 0.400 nan 8.270 nan 0.000 0.511 323 Q N 0.794 120.611 119.800 0.028 0.000 2.533 323 Q HA 0.149 4.488 4.340 -0.001 0.000 0.251 323 Q C 0.554 176.562 176.000 0.012 0.000 0.966 323 Q CA -0.265 55.547 55.803 0.014 0.000 0.714 323 Q CB 1.795 30.537 28.738 0.007 0.000 1.284 323 Q HN 0.106 nan 8.270 nan 0.000 0.478 324 L N 3.813 125.034 121.223 -0.003 0.000 2.129 324 L HA -0.244 4.095 4.340 -0.001 0.000 0.212 324 L C 1.504 178.340 176.870 -0.057 0.000 1.087 324 L CA 2.373 57.189 54.840 -0.040 0.000 0.757 324 L CB -0.217 41.767 42.059 -0.124 0.000 0.896 324 L HN 0.597 nan 8.230 nan 0.000 0.434 325 N N -1.591 117.079 118.700 -0.050 0.000 2.609 325 N HA -0.138 4.601 4.740 -0.001 0.000 0.190 325 N C 1.202 176.692 175.510 -0.034 0.000 1.157 325 N CA 1.244 54.261 53.050 -0.055 0.000 0.918 325 N CB -1.181 37.274 38.487 -0.054 0.000 0.978 325 N HN 0.560 nan 8.380 nan 0.000 0.448 326 T N -2.459 112.091 114.554 -0.007 0.000 3.105 326 T HA 0.183 4.532 4.350 -0.001 0.000 0.253 326 T C 0.725 175.449 174.700 0.041 0.000 1.047 326 T CA -0.831 61.276 62.100 0.012 0.000 0.944 326 T CB -0.741 68.139 68.868 0.020 0.000 1.016 326 T HN 0.370 nan 8.240 nan 0.000 0.544 327 L N 0.825 122.078 121.223 0.050 0.000 2.439 327 L HA 0.544 4.883 4.340 -0.001 0.000 0.269 327 L C 0.287 177.208 176.870 0.085 0.000 1.179 327 L CA -0.868 54.042 54.840 0.118 0.000 0.828 327 L CB 0.554 42.709 42.059 0.160 0.000 1.106 327 L HN 0.279 nan 8.230 nan 0.000 0.467 328 R N 0.771 121.344 120.500 0.122 0.000 2.647 328 R HA 0.227 4.566 4.340 -0.001 0.000 0.295 328 R C 0.205 176.548 176.300 0.072 0.000 1.267 328 R CA -0.185 55.959 56.100 0.074 0.000 1.386 328 R CB -0.307 30.027 30.300 0.057 0.000 1.309 328 R HN 0.774 nan 8.270 nan 0.000 0.692 329 T N 0.177 114.731 114.554 0.001 0.000 2.685 329 T HA -0.251 4.098 4.350 -0.001 0.000 0.268 329 T C 1.898 176.555 174.700 -0.071 0.000 1.034 329 T CA 2.594 64.586 62.100 -0.180 0.000 1.149 329 T CB -0.253 68.329 68.868 -0.476 0.000 0.860 329 T HN 0.632 nan 8.240 nan 0.000 0.449 330 T N 0.483 115.047 114.554 0.017 0.000 3.118 330 T HA 0.039 4.388 4.350 -0.001 0.000 0.260 330 T C 1.790 176.541 174.700 0.085 0.000 1.139 330 T CA 0.874 63.047 62.100 0.122 0.000 1.085 330 T CB -0.392 68.649 68.868 0.289 0.000 0.934 330 T HN 0.495 nan 8.240 nan 0.000 0.518 331 S N 0.183 115.914 115.700 0.052 0.000 2.557 331 S HA 0.416 4.886 4.470 -0.001 0.000 0.223 331 S C 0.206 174.816 174.600 0.016 0.000 0.969 331 S CA -0.825 57.386 58.200 0.018 0.000 0.927 331 S CB -0.509 62.690 63.200 -0.001 0.000 0.806 331 S HN 0.553 nan 8.310 nan 0.000 0.489 332 I N 1.863 122.472 120.570 0.065 0.000 2.436 332 I HA 0.375 4.545 4.170 -0.001 0.000 0.289 332 I C -0.922 175.266 176.117 0.118 0.000 1.010 332 I CA -1.096 60.273 61.300 0.115 0.000 1.098 332 I CB 2.270 40.422 38.000 0.253 0.000 1.266 332 I HN -0.100 nan 8.210 nan 0.000 0.434 333 V N 8.364 128.354 119.914 0.126 0.000 2.353 333 V HA 0.246 4.365 4.120 -0.001 0.000 0.264 333 V C -2.237 173.913 176.094 0.094 0.000 1.049 333 V CA -1.584 60.774 62.300 0.096 0.000 0.896 333 V CB 0.487 32.397 31.823 0.145 0.000 1.025 333 V HN 0.535 nan 8.190 nan 0.000 0.475 334 P HA 0.186 nan 4.420 nan 0.000 0.285 334 P C 0.717 177.983 177.300 -0.056 0.000 1.259 334 P CA -0.104 63.013 63.100 0.027 0.000 0.794 334 P CB 1.697 33.428 31.700 0.053 0.000 0.940 335 V N 2.621 122.504 119.914 -0.051 0.000 2.548 335 V HA -0.177 3.942 4.120 -0.001 0.000 0.249 335 V C 1.381 177.398 176.094 -0.128 0.000 1.055 335 V CA 2.395 64.676 62.300 -0.032 0.000 1.065 335 V CB -0.909 30.954 31.823 0.066 0.000 0.681 335 V HN 0.561 nan 8.190 nan 0.000 0.462 336 D N 0.148 120.360 120.400 -0.313 0.000 2.084 336 D HA -0.243 4.396 4.640 -0.001 0.000 0.196 336 D C 2.120 178.144 176.300 -0.461 0.000 0.985 336 D CA 1.972 55.552 54.000 -0.699 0.000 0.826 336 D CB -0.996 38.942 40.800 -1.437 0.000 0.978 336 D HN 0.474 nan 8.370 nan 0.000 0.456 337 L N 0.226 121.229 121.223 -0.366 0.000 2.013 337 L HA -0.197 4.143 4.340 -0.001 0.000 0.212 337 L C 1.922 178.597 176.870 -0.324 0.000 1.073 337 L CA 1.672 56.262 54.840 -0.416 0.000 0.753 337 L CB -0.300 41.338 42.059 -0.701 0.000 0.890 337 L HN -0.019 nan 8.230 nan 0.000 0.432 338 N N -0.758 117.811 118.700 -0.219 0.000 2.331 338 N HA -0.116 4.623 4.740 -0.001 0.000 0.180 338 N C 1.846 177.333 175.510 -0.038 0.000 1.019 338 N CA 1.326 54.303 53.050 -0.120 0.000 0.881 338 N CB 0.084 38.527 38.487 -0.072 0.000 0.972 338 N HN 0.365 nan 8.380 nan 0.000 0.435 339 S N 1.393 117.078 115.700 -0.025 0.000 2.368 339 S HA 0.017 4.486 4.470 -0.001 0.000 0.225 339 S C 2.155 176.823 174.600 0.114 0.000 1.030 339 S CA 0.640 58.889 58.200 0.082 0.000 0.999 339 S CB -0.145 63.163 63.200 0.179 0.000 0.844 339 S HN 0.247 nan 8.310 nan 0.000 0.459 340 L N 0.854 122.074 121.223 -0.006 0.000 2.093 340 L HA -0.094 4.245 4.340 -0.001 0.000 0.208 340 L C 2.506 179.278 176.870 -0.164 0.000 1.085 340 L CA 0.772 55.534 54.840 -0.131 0.000 0.755 340 L CB -0.493 41.388 42.059 -0.297 0.000 0.904 340 L HN 0.313 nan 8.230 nan 0.000 0.435 341 M N -1.004 118.499 119.600 -0.162 0.000 2.159 341 M HA -0.216 4.263 4.480 -0.001 0.000 0.263 341 M C 2.372 178.680 176.300 0.014 0.000 1.063 341 M CA 1.701 56.940 55.300 -0.101 0.000 1.110 341 M CB -1.189 31.354 32.600 -0.095 0.000 1.374 341 M HN 0.196 nan 8.290 nan 0.000 0.411 342 F N 1.656 121.562 119.950 -0.073 0.000 2.095 342 F HA -0.262 4.264 4.527 -0.001 0.000 0.298 342 F C 2.418 178.171 175.800 -0.079 0.000 1.104 342 F CA 2.014 59.984 58.000 -0.050 0.000 1.232 342 F CB -0.360 38.617 39.000 -0.037 0.000 0.987 342 F HN 0.024 nan 8.300 nan 0.000 0.475 343 K N 0.501 120.833 120.400 -0.114 0.000 2.097 343 K HA -0.218 4.101 4.320 -0.001 0.000 0.206 343 K C 2.321 178.750 176.600 -0.285 0.000 1.049 343 K CA 1.914 58.050 56.287 -0.252 0.000 0.933 343 K CB -0.634 31.778 32.500 -0.146 0.000 0.717 343 K HN 0.486 nan 8.250 nan 0.000 0.442 344 M N 0.257 119.725 119.600 -0.221 0.000 2.086 344 M HA -0.223 4.256 4.480 -0.001 0.000 0.261 344 M C 1.576 177.680 176.300 -0.327 0.000 1.067 344 M CA 1.917 57.092 55.300 -0.208 0.000 1.116 344 M CB -0.119 32.419 32.600 -0.104 0.000 1.348 344 M HN 0.191 nan 8.290 nan 0.000 0.407 345 E N -0.094 119.903 120.200 -0.339 0.000 2.077 345 E HA -0.198 4.151 4.350 -0.001 0.000 0.193 345 E C 2.009 178.372 176.600 -0.393 0.000 0.989 345 E CA 1.084 57.245 56.400 -0.398 0.000 0.800 345 E CB 0.013 29.585 29.700 -0.213 0.000 0.746 345 E HN 0.375 nan 8.360 nan 0.000 0.452 346 K N 0.506 120.629 120.400 -0.461 0.000 2.097 346 K HA -0.089 4.230 4.320 -0.001 0.000 0.205 346 K C 2.112 178.537 176.600 -0.291 0.000 1.050 346 K CA 0.913 56.956 56.287 -0.406 0.000 0.938 346 K CB -0.208 31.976 32.500 -0.526 0.000 0.718 346 K HN 0.239 nan 8.250 nan 0.000 0.442 347 I N 0.858 121.252 120.570 -0.292 0.000 2.353 347 I HA -0.230 3.940 4.170 -0.001 0.000 0.248 347 I C 2.255 178.218 176.117 -0.257 0.000 1.119 347 I CA 0.711 61.875 61.300 -0.226 0.000 1.417 347 I CB -0.227 37.658 38.000 -0.193 0.000 1.078 347 I HN 0.011 nan 8.210 nan 0.000 0.421 348 L N 0.612 121.589 121.223 -0.410 0.000 2.042 348 L HA -0.235 4.104 4.340 -0.001 0.000 0.210 348 L C 2.855 179.482 176.870 -0.405 0.000 1.076 348 L CA 1.463 55.930 54.840 -0.622 0.000 0.749 348 L CB -0.680 40.541 42.059 -1.397 0.000 0.893 348 L HN 0.252 nan 8.230 nan 0.000 0.432 349 A N -0.029 122.642 122.820 -0.248 0.000 1.877 349 A HA -0.265 4.054 4.320 -0.001 0.000 0.216 349 A C 2.440 180.003 177.584 -0.035 0.000 1.186 349 A CA 1.928 53.959 52.037 -0.009 0.000 0.620 349 A CB -0.625 18.368 19.000 -0.012 0.000 0.822 349 A HN 0.371 nan 8.150 nan 0.000 0.443 350 R N -0.402 120.046 120.500 -0.086 0.000 2.081 350 R HA -0.113 4.227 4.340 -0.001 0.000 0.235 350 R C 2.266 178.539 176.300 -0.045 0.000 1.131 350 R CA 1.537 57.599 56.100 -0.063 0.000 0.960 350 R CB -0.404 29.849 30.300 -0.079 0.000 0.856 350 R HN 0.440 nan 8.270 nan 0.000 0.436 351 A N 0.488 123.272 122.820 -0.060 0.000 1.898 351 A HA -0.145 4.174 4.320 -0.001 0.000 0.216 351 A C 2.193 179.775 177.584 -0.003 0.000 1.181 351 A CA 1.754 53.771 52.037 -0.033 0.000 0.620 351 A CB -0.578 18.397 19.000 -0.043 0.000 0.819 351 A HN 0.613 nan 8.150 nan 0.000 0.442 352 S N 0.050 115.760 115.700 0.017 0.000 2.368 352 S HA -0.183 4.286 4.470 -0.001 0.000 0.224 352 S C 1.884 176.508 174.600 0.040 0.000 1.029 352 S CA 1.606 59.845 58.200 0.066 0.000 0.988 352 S CB -0.306 62.994 63.200 0.167 0.000 0.838 352 S HN 0.413 nan 8.310 nan 0.000 0.462 353 K N 2.466 122.881 120.400 0.025 0.000 2.026 353 K HA 0.172 4.491 4.320 -0.001 0.000 0.208 353 K C 2.211 178.812 176.600 0.003 0.000 1.048 353 K CA 1.452 57.745 56.287 0.012 0.000 0.929 353 K CB -1.157 31.345 32.500 0.002 0.000 0.713 353 K HN 0.405 nan 8.250 nan 0.000 0.439 354 A N 0.348 123.167 122.820 -0.003 0.000 1.940 354 A HA -0.073 4.246 4.320 -0.001 0.000 0.219 354 A C 2.291 179.873 177.584 -0.003 0.000 1.176 354 A CA 2.042 54.075 52.037 -0.007 0.000 0.631 354 A CB -0.936 18.057 19.000 -0.012 0.000 0.814 354 A HN 0.402 nan 8.150 nan 0.000 0.446 355 A N -2.078 120.744 122.820 0.004 0.000 2.119 355 A HA 0.361 4.681 4.320 -0.001 0.000 0.217 355 A C 1.922 179.509 177.584 0.006 0.000 1.153 355 A CA 1.483 53.523 52.037 0.006 0.000 0.692 355 A CB -0.807 18.202 19.000 0.016 0.000 0.799 355 A HN 1.937 nan 8.150 nan 0.000 0.458 356 G N -1.040 107.765 108.800 0.008 0.000 2.144 356 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.218 356 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.218 356 G C -0.110 174.796 174.900 0.010 0.000 0.988 356 G CA 0.276 45.380 45.100 0.006 0.000 0.659 356 G HN 0.491 nan 8.290 nan 0.000 0.522 357 D N 0.533 120.944 120.400 0.018 0.000 2.524 357 D HA 0.318 4.957 4.640 -0.001 0.000 0.222 357 D C 1.399 177.710 176.300 0.018 0.000 1.142 357 D CA -0.415 53.597 54.000 0.021 0.000 0.973 357 D CB -0.597 40.224 40.800 0.034 0.000 1.025 357 D HN 0.458 nan 8.370 nan 0.000 0.519 358 N N 1.187 119.891 118.700 0.007 0.000 2.244 358 N HA -0.131 4.608 4.740 -0.001 0.000 0.183 358 N C 1.737 177.242 175.510 -0.008 0.000 1.016 358 N CA 0.900 53.952 53.050 0.002 0.000 0.866 358 N CB 0.283 38.770 38.487 -0.001 0.000 0.980 358 N HN 0.352 nan 8.380 nan 0.000 0.430 359 A N 1.154 123.964 122.820 -0.016 0.000 1.930 359 A HA -0.111 4.209 4.320 -0.001 0.000 0.217 359 A C 2.169 179.712 177.584 -0.068 0.000 1.175 359 A CA 0.984 53.000 52.037 -0.036 0.000 0.627 359 A CB -0.431 18.549 19.000 -0.034 0.000 0.815 359 A HN 0.204 nan 8.150 nan 0.000 0.443 360 M N -0.573 118.991 119.600 -0.060 0.000 2.065 360 M HA -0.213 4.266 4.480 -0.001 0.000 0.259 360 M C 2.523 178.782 176.300 -0.068 0.000 1.069 360 M CA 1.762 56.995 55.300 -0.110 0.000 1.110 360 M CB -0.410 32.214 32.600 0.040 0.000 1.328 360 M HN 0.498 nan 8.290 nan 0.000 0.405 361 A N 0.538 123.386 122.820 0.046 0.000 1.883 361 A HA -0.212 4.108 4.320 -0.001 0.000 0.217 361 A C 1.719 179.327 177.584 0.041 0.000 1.186 361 A CA 2.077 54.168 52.037 0.091 0.000 0.624 361 A CB -0.932 18.098 19.000 0.051 0.000 0.822 361 A HN 0.544 nan 8.150 nan 0.000 0.444 362 N N -0.234 118.462 118.700 -0.007 0.000 2.120 362 N HA -0.158 4.581 4.740 -0.001 0.000 0.188 362 N C 1.924 177.410 175.510 -0.039 0.000 1.024 362 N CA 1.563 54.602 53.050 -0.017 0.000 0.852 362 N CB -0.509 37.965 38.487 -0.023 0.000 1.003 362 N HN 0.665 nan 8.380 nan 0.000 0.424 363 Q N -0.518 119.218 119.800 -0.107 0.000 2.030 363 Q HA -0.161 4.178 4.340 -0.001 0.000 0.204 363 Q C 1.683 177.596 176.000 -0.145 0.000 0.986 363 Q CA 1.479 57.178 55.803 -0.173 0.000 0.843 363 Q CB -0.220 28.323 28.738 -0.325 0.000 0.904 363 Q HN 0.460 nan 8.270 nan 0.000 0.420 364 Y N 0.894 121.159 120.300 -0.058 0.000 2.242 364 Y HA -0.163 4.387 4.550 -0.001 0.000 0.291 364 Y C 2.299 178.141 175.900 -0.096 0.000 1.137 364 Y CA 0.886 58.921 58.100 -0.108 0.000 1.181 364 Y CB -0.126 38.239 38.460 -0.159 0.000 0.989 364 Y HN 0.088 nan 8.280 nan 0.000 0.527 365 E N -0.495 119.746 120.200 0.069 0.000 2.110 365 E HA -0.147 4.202 4.350 -0.001 0.000 0.193 365 E C 2.161 178.783 176.600 0.036 0.000 0.988 365 E CA 1.667 58.081 56.400 0.023 0.000 0.804 365 E CB -0.612 29.096 29.700 0.014 0.000 0.745 365 E HN 0.420 nan 8.360 nan 0.000 0.458 366 T N 1.930 116.502 114.554 0.030 0.000 2.746 366 T HA -0.092 4.257 4.350 -0.001 0.000 0.267 366 T C 2.161 176.896 174.700 0.059 0.000 1.039 366 T CA 0.801 62.922 62.100 0.035 0.000 1.142 366 T CB -0.225 68.650 68.868 0.012 0.000 0.866 366 T HN 0.079 nan 8.240 nan 0.000 0.444 367 L N 0.753 122.017 121.223 0.068 0.000 2.017 367 L HA -0.110 4.229 4.340 -0.001 0.000 0.208 367 L C 3.058 180.004 176.870 0.127 0.000 1.073 367 L CA 1.323 56.228 54.840 0.109 0.000 0.745 367 L CB -0.698 41.454 42.059 0.156 0.000 0.894 367 L HN 0.237 nan 8.230 nan 0.000 0.432 368 A N 0.216 123.090 122.820 0.090 0.000 1.902 368 A HA -0.226 4.094 4.320 -0.001 0.000 0.217 368 A C 2.060 179.823 177.584 0.298 0.000 1.181 368 A CA 2.010 54.119 52.037 0.119 0.000 0.623 368 A CB -0.611 18.292 19.000 -0.161 0.000 0.818 368 A HN 0.442 nan 8.150 nan 0.000 0.443 369 N N 0.535 119.349 118.700 0.190 0.000 2.120 369 N HA -0.120 4.619 4.740 -0.001 0.000 0.188 369 N C 1.862 177.452 175.510 0.134 0.000 1.024 369 N CA 1.637 54.789 53.050 0.170 0.000 0.852 369 N CB -0.645 37.902 38.487 0.101 0.000 1.003 369 N HN 0.481 nan 8.380 nan 0.000 0.424 370 A N 1.068 123.958 122.820 0.116 0.000 1.902 370 A HA -0.144 4.175 4.320 -0.001 0.000 0.217 370 A C 2.304 179.951 177.584 0.104 0.000 1.181 370 A CA 1.689 53.782 52.037 0.093 0.000 0.623 370 A CB -0.471 18.578 19.000 0.081 0.000 0.818 370 A HN 0.227 nan 8.150 nan 0.000 0.443 371 R N -0.104 120.487 120.500 0.151 0.000 2.073 371 R HA -0.175 4.164 4.340 -0.001 0.000 0.234 371 R C 2.365 178.715 176.300 0.084 0.000 1.134 371 R CA 2.162 58.354 56.100 0.154 0.000 0.952 371 R CB -0.629 29.830 30.300 0.264 0.000 0.850 371 R HN 0.681 nan 8.270 nan 0.000 0.433 372 Q N 0.297 120.137 119.800 0.068 0.000 2.096 372 Q HA -0.236 4.104 4.340 -0.001 0.000 0.204 372 Q C 1.953 177.916 176.000 -0.060 0.000 0.982 372 Q CA 2.036 57.742 55.803 -0.161 0.000 0.850 372 Q CB -0.131 28.487 28.738 -0.200 0.000 0.901 372 Q HN 0.344 nan 8.270 nan 0.000 0.422 373 K N -0.641 119.764 120.400 0.009 0.000 2.063 373 K HA -0.144 4.175 4.320 -0.001 0.000 0.208 373 K C 1.953 178.580 176.600 0.045 0.000 1.048 373 K CA 1.418 57.715 56.287 0.018 0.000 0.928 373 K CB -0.423 32.098 32.500 0.034 0.000 0.713 373 K HN 0.367 nan 8.250 nan 0.000 0.442 374 G N 1.443 110.290 108.800 0.079 0.000 2.421 374 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.216 374 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.216 374 G C 1.522 176.508 174.900 0.145 0.000 1.171 374 G CA 0.941 46.130 45.100 0.148 0.000 0.775 374 G HN 0.265 nan 8.290 nan 0.000 0.543 375 I N 0.607 121.221 120.570 0.073 0.000 2.163 375 I HA -0.152 4.018 4.170 -0.001 0.000 0.243 375 I C 2.711 178.930 176.117 0.169 0.000 1.085 375 I CA 1.168 62.522 61.300 0.090 0.000 1.347 375 I CB -0.128 37.857 38.000 -0.025 0.000 1.044 375 I HN 0.107 nan 8.210 nan 0.000 0.408 376 E N 0.606 120.862 120.200 0.093 0.000 2.204 376 E HA -0.225 4.124 4.350 -0.001 0.000 0.194 376 E C 2.020 178.645 176.600 0.042 0.000 0.989 376 E CA 1.008 57.458 56.400 0.083 0.000 0.824 376 E CB -0.092 29.591 29.700 -0.028 0.000 0.756 376 E HN 0.480 nan 8.360 nan 0.000 0.477 377 K N -0.523 119.860 120.400 -0.029 0.000 2.099 377 K HA -0.051 4.268 4.320 -0.001 0.000 0.203 377 K C 1.307 177.686 176.600 -0.369 0.000 1.047 377 K CA 0.728 56.866 56.287 -0.249 0.000 0.963 377 K CB 0.130 32.378 32.500 -0.420 0.000 0.759 377 K HN 0.018 nan 8.250 nan 0.000 0.451 378 Y N -0.372 119.920 120.300 -0.013 0.000 2.442 378 Y HA 0.254 4.802 4.550 -0.003 0.000 0.250 378 Y C 0.817 176.756 175.900 0.064 0.000 1.113 378 Y CA 0.052 58.080 58.100 -0.119 0.000 1.273 378 Y CB 0.797 38.995 38.460 -0.436 0.000 1.138 378 Y HN -0.071 nan 8.280 nan 0.000 0.522 379 L N -0.612 120.775 121.223 0.274 0.000 3.122 379 L HA 0.180 4.520 4.340 -0.001 0.000 0.274 379 L C -0.517 176.625 176.870 0.453 0.000 1.222 379 L CA -0.038 55.001 54.840 0.332 0.000 1.028 379 L CB 0.683 42.911 42.059 0.282 0.000 1.386 379 L HN 0.230 nan 8.230 nan 0.000 0.578 380 W N 1.720 123.084 121.300 0.107 0.000 2.471 380 W HA 0.331 4.989 4.660 -0.003 0.000 0.318 380 W C -1.044 175.422 176.519 -0.087 0.000 1.034 380 W CA -0.595 56.691 57.345 -0.098 0.000 1.224 380 W CB 1.480 30.791 29.460 -0.247 0.000 1.335 380 W HN -0.086 nan 8.180 nan 0.000 0.452 381 N N 4.301 122.473 118.700 -0.879 0.000 2.469 381 N HA -0.009 4.730 4.740 -0.001 0.000 0.239 381 N C 0.222 175.024 175.510 -1.181 0.000 1.053 381 N CA 0.433 53.014 53.050 -0.781 0.000 0.937 381 N CB 1.061 39.177 38.487 -0.618 0.000 1.163 381 N HN 0.497 nan 8.380 nan 0.000 0.509 382 D N 2.103 122.110 120.400 -0.656 0.000 2.234 382 D HA -0.090 4.549 4.640 -0.001 0.000 0.205 382 D C 1.572 177.692 176.300 -0.301 0.000 0.962 382 D CA 0.914 54.724 54.000 -0.317 0.000 0.855 382 D CB 0.392 41.241 40.800 0.081 0.000 0.951 382 D HN 0.644 nan 8.370 nan 0.000 0.500 383 Q N -0.449 119.152 119.800 -0.332 0.000 2.050 383 Q HA -0.179 4.160 4.340 -0.001 0.000 0.202 383 Q C 1.531 177.275 176.000 -0.427 0.000 0.980 383 Q CA 1.115 56.742 55.803 -0.293 0.000 0.840 383 Q CB 0.169 28.762 28.738 -0.241 0.000 0.898 383 Q HN 0.243 nan 8.270 nan 0.000 0.424 384 Q N -1.220 118.149 119.800 -0.719 0.000 2.376 384 Q HA 0.112 4.452 4.340 -0.001 0.000 0.206 384 Q C 0.883 176.199 176.000 -1.141 0.000 0.921 384 Q CA 0.989 56.120 55.803 -1.119 0.000 0.911 384 Q CB 0.870 28.457 28.738 -1.918 0.000 1.032 384 Q HN 0.577 nan 8.270 nan 0.000 0.510 385 G N 1.255 109.459 108.800 -0.994 0.000 2.204 385 G HA2 -0.158 3.801 3.960 -0.001 0.000 0.244 385 G HA3 -0.158 3.801 3.960 -0.001 0.000 0.244 385 G C -0.696 173.824 174.900 -0.633 0.000 1.062 385 G CA 0.307 45.027 45.100 -0.633 0.000 0.798 385 G HN 0.230 nan 8.290 nan 0.000 0.496 386 W N -2.259 118.412 121.300 -1.048 0.000 3.137 386 W HA 0.773 5.433 4.660 -0.000 0.000 0.324 386 W C -0.503 175.538 176.519 -0.797 0.000 1.253 386 W CA -3.272 53.656 57.345 -0.695 0.000 1.183 386 W CB 0.495 29.835 29.460 -0.200 0.000 1.424 386 W HN 0.101 nan 8.180 nan 0.000 0.566 387 Y N 1.922 122.373 120.300 0.252 0.000 2.457 387 Y HA 0.455 5.004 4.550 -0.001 0.000 0.341 387 Y C 0.899 176.934 175.900 0.226 0.000 1.240 387 Y CA 1.301 59.577 58.100 0.293 0.000 1.437 387 Y CB 0.622 39.283 38.460 0.335 0.000 1.328 387 Y HN 0.786 nan 8.280 nan 0.000 0.588 388 A N 1.305 124.326 122.820 0.335 0.000 2.566 388 A HA 0.433 4.753 4.320 -0.001 0.000 0.290 388 A C -1.544 176.142 177.584 0.170 0.000 1.071 388 A CA -1.118 51.043 52.037 0.207 0.000 0.658 388 A CB 0.924 20.051 19.000 0.211 0.000 1.285 388 A HN 0.576 nan 8.150 nan 0.000 0.427 389 D N -0.162 120.296 120.400 0.096 0.000 2.358 389 D HA 0.403 5.042 4.640 -0.001 0.000 0.244 389 D C -1.008 175.405 176.300 0.189 0.000 1.163 389 D CA 0.760 54.829 54.000 0.115 0.000 0.945 389 D CB 0.766 41.599 40.800 0.056 0.000 1.152 389 D HN 0.450 nan 8.370 nan 0.000 0.451 390 Y N 0.384 120.728 120.300 0.073 0.000 2.387 390 Y HA 0.186 4.735 4.550 -0.002 0.000 0.336 390 Y C -0.513 175.411 175.900 0.041 0.000 1.067 390 Y CA -0.774 57.372 58.100 0.077 0.000 1.114 390 Y CB 1.383 39.907 38.460 0.105 0.000 1.208 390 Y HN 0.113 nan 8.280 nan 0.000 0.458 391 D N 5.976 125.995 120.400 -0.635 0.000 2.373 391 D HA 0.175 4.814 4.640 -0.001 0.000 0.227 391 D C 0.388 176.300 176.300 -0.645 0.000 1.091 391 D CA -0.000 53.727 54.000 -0.454 0.000 0.840 391 D CB 1.109 41.718 40.800 -0.318 0.000 1.060 391 D HN 0.844 nan 8.370 nan 0.000 0.502 392 L N 3.201 124.201 121.223 -0.372 0.000 2.478 392 L HA 0.002 4.341 4.340 -0.001 0.000 0.223 392 L C 2.264 178.805 176.870 -0.548 0.000 1.140 392 L CA 0.478 55.089 54.840 -0.382 0.000 0.842 392 L CB 0.119 42.090 42.059 -0.147 0.000 0.953 392 L HN 0.255 nan 8.230 nan 0.000 0.452 393 K N 0.021 120.199 120.400 -0.371 0.000 2.044 393 K HA -0.058 4.261 4.320 -0.001 0.000 0.204 393 K C 2.251 178.697 176.600 -0.258 0.000 1.045 393 K CA 1.569 57.700 56.287 -0.260 0.000 0.951 393 K CB 0.049 32.475 32.500 -0.123 0.000 0.738 393 K HN 0.277 nan 8.250 nan 0.000 0.443 394 S N -0.630 114.931 115.700 -0.232 0.000 2.528 394 S HA -0.030 4.439 4.470 -0.001 0.000 0.219 394 S C -0.136 174.450 174.600 -0.022 0.000 0.985 394 S CA 0.124 58.270 58.200 -0.089 0.000 0.914 394 S CB -0.328 62.822 63.200 -0.082 0.000 0.776 394 S HN 0.388 nan 8.310 nan 0.000 0.526 395 H N 0.921 119.889 119.070 -0.170 0.000 2.756 395 H HA -0.093 4.464 4.556 0.002 0.000 0.315 395 H C -0.469 174.814 175.328 -0.076 0.000 1.210 395 H CA 1.157 57.135 56.048 -0.116 0.000 1.150 395 H CB -1.904 27.900 29.762 0.070 0.000 1.463 395 H HN 0.529 nan 8.280 nan 0.000 0.427 396 K N -0.287 119.946 120.400 -0.279 0.000 2.508 396 K HA 0.529 4.848 4.320 -0.001 0.000 0.260 396 K C -0.239 176.275 176.600 -0.144 0.000 0.949 396 K CA -0.824 55.435 56.287 -0.046 0.000 0.834 396 K CB 2.893 35.378 32.500 -0.025 0.000 1.365 396 K HN 0.079 nan 8.250 nan 0.000 0.437 397 V N -0.077 119.938 119.914 0.167 0.000 2.655 397 V HA 0.243 4.362 4.120 -0.001 0.000 0.300 397 V C 0.151 176.267 176.094 0.037 0.000 1.044 397 V CA -0.408 62.004 62.300 0.186 0.000 1.095 397 V CB 0.178 32.112 31.823 0.184 0.000 0.952 397 V HN 0.617 nan 8.190 nan 0.000 0.485 398 R N 3.189 123.711 120.500 0.037 0.000 2.679 398 R HA 0.163 4.503 4.340 -0.001 0.000 0.269 398 R C 1.148 177.480 176.300 0.053 0.000 1.076 398 R CA 0.412 56.524 56.100 0.019 0.000 1.160 398 R CB 0.168 30.476 30.300 0.014 0.000 1.054 398 R HN 0.932 nan 8.270 nan 0.000 0.507 399 N N 0.546 119.280 118.700 0.057 0.000 2.290 399 N HA -0.140 4.599 4.740 -0.001 0.000 0.179 399 N C 0.065 175.743 175.510 0.280 0.000 1.016 399 N CA 0.647 53.763 53.050 0.110 0.000 0.871 399 N CB 0.326 38.850 38.487 0.062 0.000 0.987 399 N HN 0.440 nan 8.380 nan 0.000 0.431 400 Q N 0.681 120.562 119.800 0.136 0.000 2.311 400 Q HA 0.078 4.417 4.340 -0.001 0.000 0.272 400 Q C -1.017 174.933 176.000 -0.082 0.000 1.012 400 Q CA -0.405 55.421 55.803 0.039 0.000 0.891 400 Q CB 0.497 29.211 28.738 -0.040 0.000 1.201 400 Q HN 0.294 nan 8.270 nan 0.000 0.391 401 L N 4.920 125.875 121.223 -0.447 0.000 2.290 401 L HA 0.403 4.743 4.340 -0.001 0.000 0.284 401 L C -0.425 176.202 176.870 -0.405 0.000 1.078 401 L CA 0.570 54.873 54.840 -0.895 0.000 0.815 401 L CB 1.129 42.187 42.059 -1.669 0.000 1.162 401 L HN 0.823 nan 8.230 nan 0.000 0.435 402 T N 1.426 115.839 114.554 -0.234 0.000 2.864 402 T HA 0.674 5.023 4.350 -0.001 0.000 0.289 402 T C 0.863 175.616 174.700 0.088 0.000 1.082 402 T CA -0.257 61.834 62.100 -0.016 0.000 1.009 402 T CB 1.297 70.198 68.868 0.055 0.000 1.234 402 T HN 0.626 nan 8.240 nan 0.000 0.526 403 A N 0.344 123.328 122.820 0.274 0.000 2.125 403 A HA 0.304 4.623 4.320 -0.001 0.000 0.219 403 A C 2.452 180.278 177.584 0.405 0.000 1.156 403 A CA 1.702 53.917 52.037 0.297 0.000 0.671 403 A CB -1.443 17.736 19.000 0.300 0.000 0.794 403 A HN 1.361 nan 8.150 nan 0.000 0.459 404 A N -0.068 122.988 122.820 0.393 0.000 2.076 404 A HA 0.149 4.468 4.320 -0.001 0.000 0.220 404 A C 2.317 180.084 177.584 0.305 0.000 1.160 404 A CA 1.661 53.870 52.037 0.287 0.000 0.653 404 A CB -0.771 18.086 19.000 -0.239 0.000 0.801 404 A HN 1.093 nan 8.150 nan 0.000 0.455 405 A N -0.756 122.192 122.820 0.213 0.000 2.125 405 A HA 0.025 4.344 4.320 -0.001 0.000 0.219 405 A C 1.736 179.483 177.584 0.271 0.000 1.156 405 A CA 1.203 53.392 52.037 0.253 0.000 0.671 405 A CB -0.303 18.816 19.000 0.198 0.000 0.794 405 A HN 0.392 nan 8.150 nan 0.000 0.459 406 L N -2.003 119.369 121.223 0.247 0.000 2.509 406 L HA 0.075 4.414 4.340 -0.001 0.000 0.222 406 L C 1.833 178.775 176.870 0.120 0.000 1.123 406 L CA 0.868 55.797 54.840 0.148 0.000 0.856 406 L CB -1.480 40.620 42.059 0.069 0.000 0.985 406 L HN 0.377 nan 8.230 nan 0.000 0.456 407 F N 1.388 121.378 119.950 0.067 0.000 2.126 407 F HA -0.111 4.415 4.527 -0.001 0.000 0.299 407 F C -0.121 175.700 175.800 0.035 0.000 1.096 407 F CA 1.585 59.650 58.000 0.109 0.000 1.255 407 F CB -1.817 37.241 39.000 0.096 0.000 0.997 407 F HN 0.172 nan 8.300 nan 0.000 0.479 408 P HA -0.153 nan 4.420 nan 0.000 0.219 408 P C 1.573 178.797 177.300 -0.127 0.000 1.146 408 P CA 1.232 64.176 63.100 -0.260 0.000 0.808 408 P CB 0.025 31.173 31.700 -0.920 0.000 0.779 409 L N -2.593 118.593 121.223 -0.061 0.000 2.095 409 L HA -0.105 4.235 4.340 -0.001 0.000 0.204 409 L C 2.416 179.434 176.870 0.248 0.000 1.080 409 L CA 1.513 56.391 54.840 0.064 0.000 0.759 409 L CB -1.778 40.267 42.059 -0.022 0.000 0.914 409 L HN -0.069 nan 8.230 nan 0.000 0.439 410 Y N 0.617 120.926 120.300 0.016 0.000 2.193 410 Y HA -0.215 4.334 4.550 -0.002 0.000 0.285 410 Y C 2.137 178.067 175.900 0.049 0.000 1.166 410 Y CA 1.761 59.849 58.100 -0.019 0.000 1.181 410 Y CB -0.149 38.211 38.460 -0.166 0.000 0.976 410 Y HN 0.072 nan 8.280 nan 0.000 0.520 411 V N -2.364 117.581 119.914 0.052 0.000 3.596 411 V HA 0.264 4.383 4.120 -0.001 0.000 0.289 411 V C 0.414 176.607 176.094 0.164 0.000 1.336 411 V CA 0.670 62.990 62.300 0.032 0.000 1.137 411 V CB -1.085 30.853 31.823 0.191 0.000 0.966 411 V HN 0.481 nan 8.190 nan 0.000 0.428 412 N N 0.044 118.840 118.700 0.160 0.000 2.747 412 N HA -0.216 4.523 4.740 -0.001 0.000 0.249 412 N C 0.915 176.518 175.510 0.155 0.000 1.107 412 N CA 0.990 54.156 53.050 0.193 0.000 0.707 412 N CB -1.260 37.274 38.487 0.078 0.000 1.054 412 N HN 0.803 nan 8.380 nan 0.000 0.555 413 A N -0.863 121.924 122.820 -0.054 0.000 2.030 413 A HA 0.536 4.856 4.320 -0.001 0.000 0.215 413 A C 1.258 178.726 177.584 -0.193 0.000 1.164 413 A CA 0.931 52.704 52.037 -0.441 0.000 0.697 413 A CB 0.096 18.627 19.000 -0.780 0.000 0.827 413 A HN 0.564 nan 8.150 nan 0.000 0.457 414 A N 0.380 123.155 122.820 -0.075 0.000 2.477 414 A HA 0.563 4.882 4.320 -0.001 0.000 0.246 414 A C 0.794 178.398 177.584 0.035 0.000 1.078 414 A CA 0.115 52.117 52.037 -0.057 0.000 0.770 414 A CB -0.314 18.564 19.000 -0.203 0.000 1.011 414 A HN 1.298 nan 8.150 nan 0.000 0.494 415 A N 1.780 124.588 122.820 -0.020 0.000 2.520 415 A HA 0.221 4.540 4.320 -0.001 0.000 0.235 415 A C 1.492 179.069 177.584 -0.012 0.000 1.065 415 A CA 0.496 52.518 52.037 -0.025 0.000 0.764 415 A CB 0.089 19.012 19.000 -0.128 0.000 1.002 415 A HN 1.041 nan 8.150 nan 0.000 0.502 416 K N 0.513 120.964 120.400 0.085 0.000 2.063 416 K HA -0.226 4.093 4.320 -0.001 0.000 0.208 416 K C 1.410 178.011 176.600 0.002 0.000 1.048 416 K CA 2.103 58.468 56.287 0.129 0.000 0.928 416 K CB -0.193 32.386 32.500 0.133 0.000 0.713 416 K HN 0.925 nan 8.250 nan 0.000 0.442 417 D N 0.262 120.632 120.400 -0.051 0.000 2.144 417 D HA -0.219 4.420 4.640 -0.001 0.000 0.199 417 D C 1.719 177.946 176.300 -0.123 0.000 0.984 417 D CA 1.244 55.199 54.000 -0.075 0.000 0.834 417 D CB -0.383 40.362 40.800 -0.093 0.000 0.955 417 D HN 0.260 nan 8.370 nan 0.000 0.465 418 R N 0.409 120.759 120.500 -0.249 0.000 2.115 418 R HA 0.155 4.494 4.340 -0.001 0.000 0.226 418 R C 2.565 178.824 176.300 -0.068 0.000 1.100 418 R CA 1.020 56.900 56.100 -0.366 0.000 0.980 418 R CB -0.251 29.578 30.300 -0.785 0.000 0.875 418 R HN 0.250 nan 8.270 nan 0.000 0.445 419 A N 1.534 124.257 122.820 -0.161 0.000 1.902 419 A HA -0.247 4.073 4.320 -0.001 0.000 0.217 419 A C 1.893 179.446 177.584 -0.051 0.000 1.181 419 A CA 1.854 53.742 52.037 -0.249 0.000 0.623 419 A CB -0.676 17.801 19.000 -0.872 0.000 0.818 419 A HN 0.349 nan 8.150 nan 0.000 0.443 420 N N -0.278 118.417 118.700 -0.008 0.000 2.120 420 N HA -0.177 4.563 4.740 -0.001 0.000 0.188 420 N C 1.658 177.217 175.510 0.081 0.000 1.024 420 N CA 2.007 55.084 53.050 0.046 0.000 0.852 420 N CB -0.245 38.268 38.487 0.043 0.000 1.003 420 N HN 0.507 nan 8.380 nan 0.000 0.424 421 K N -0.633 119.831 120.400 0.107 0.000 2.103 421 K HA -0.123 4.196 4.320 -0.001 0.000 0.207 421 K C 1.833 178.572 176.600 0.232 0.000 1.048 421 K CA 1.169 57.568 56.287 0.187 0.000 0.930 421 K CB -0.111 32.564 32.500 0.291 0.000 0.716 421 K HN 0.289 nan 8.250 nan 0.000 0.444 422 M N 0.248 119.993 119.600 0.241 0.000 2.175 422 M HA -0.079 4.400 4.480 -0.001 0.000 0.264 422 M C 2.351 178.748 176.300 0.161 0.000 1.063 422 M CA 1.258 56.707 55.300 0.248 0.000 1.119 422 M CB -1.081 31.681 32.600 0.271 0.000 1.377 422 M HN 0.146 nan 8.290 nan 0.000 0.415 423 A N -0.250 122.638 122.820 0.113 0.000 1.908 423 A HA -0.160 4.160 4.320 -0.001 0.000 0.218 423 A C 2.339 179.974 177.584 0.085 0.000 1.181 423 A CA 2.371 54.458 52.037 0.084 0.000 0.627 423 A CB -1.140 17.902 19.000 0.069 0.000 0.818 423 A HN 0.472 nan 8.150 nan 0.000 0.445 424 T N 0.236 114.850 114.554 0.100 0.000 2.708 424 T HA -0.005 4.344 4.350 -0.001 0.000 0.266 424 T C 2.245 177.008 174.700 0.105 0.000 1.037 424 T CA 1.613 63.766 62.100 0.089 0.000 1.146 424 T CB -0.487 68.439 68.868 0.096 0.000 0.865 424 T HN 0.606 nan 8.240 nan 0.000 0.435 425 A N 1.313 124.245 122.820 0.186 0.000 1.908 425 A HA -0.143 4.176 4.320 -0.001 0.000 0.218 425 A C 2.553 180.228 177.584 0.152 0.000 1.181 425 A CA 2.153 54.349 52.037 0.265 0.000 0.627 425 A CB -1.311 17.916 19.000 0.379 0.000 0.818 425 A HN 0.474 nan 8.150 nan 0.000 0.445 426 T N -0.011 114.609 114.554 0.110 0.000 2.652 426 T HA -0.158 4.191 4.350 -0.001 0.000 0.267 426 T C 1.969 176.693 174.700 0.040 0.000 1.039 426 T CA 1.799 63.940 62.100 0.068 0.000 1.153 426 T CB -0.223 68.681 68.868 0.060 0.000 0.863 426 T HN 0.536 nan 8.240 nan 0.000 0.428 427 K N 0.586 121.002 120.400 0.027 0.000 2.057 427 K HA -0.112 4.207 4.320 -0.001 0.000 0.207 427 K C 2.780 179.362 176.600 -0.031 0.000 1.049 427 K CA 1.778 58.068 56.287 0.004 0.000 0.931 427 K CB -0.365 32.139 32.500 0.007 0.000 0.714 427 K HN 0.540 nan 8.250 nan 0.000 0.440 428 T N -1.554 112.945 114.554 -0.092 0.000 2.857 428 T HA -0.099 4.250 4.350 -0.001 0.000 0.266 428 T C 1.637 176.132 174.700 -0.341 0.000 1.048 428 T CA 0.931 62.872 62.100 -0.266 0.000 1.139 428 T CB -0.112 68.499 68.868 -0.427 0.000 0.874 428 T HN 0.213 nan 8.240 nan 0.000 0.455 429 H N -0.448 118.637 119.070 0.025 0.000 2.927 429 H HA 0.474 5.029 4.556 -0.001 0.000 0.255 429 H C 1.850 177.167 175.328 -0.017 0.000 0.974 429 H CA 0.225 56.268 56.048 -0.009 0.000 1.199 429 H CB 0.666 30.384 29.762 -0.073 0.000 1.447 429 H HN 0.303 nan 8.280 nan 0.000 0.467 430 L N 0.378 121.659 121.223 0.098 0.000 2.577 430 L HA 0.134 4.473 4.340 -0.001 0.000 0.225 430 L C 0.296 177.202 176.870 0.061 0.000 1.053 430 L CA -0.103 54.776 54.840 0.064 0.000 0.866 430 L CB 0.565 42.649 42.059 0.042 0.000 1.132 430 L HN -0.022 nan 8.230 nan 0.000 0.486 431 L N 1.641 122.897 121.223 0.055 0.000 2.418 431 L HA 0.179 4.518 4.340 -0.001 0.000 0.274 431 L C -0.137 176.798 176.870 0.110 0.000 1.135 431 L CA 0.742 55.621 54.840 0.066 0.000 0.870 431 L CB 0.142 42.217 42.059 0.027 0.000 1.154 431 L HN 0.081 nan 8.230 nan 0.000 0.462 432 Q N 5.496 125.389 119.800 0.156 0.000 2.495 432 Q HA 0.451 4.790 4.340 -0.001 0.000 0.283 432 Q C -1.994 174.154 176.000 0.248 0.000 1.097 432 Q CA -1.865 54.032 55.803 0.157 0.000 0.836 432 Q CB 1.028 29.829 28.738 0.105 0.000 1.426 432 Q HN 0.329 nan 8.270 nan 0.000 0.459 433 P HA -0.102 nan 4.420 nan 0.000 0.219 433 P C 0.661 177.920 177.300 -0.068 0.000 1.146 433 P CA 1.499 64.561 63.100 -0.063 0.000 0.808 433 P CB 0.225 31.887 31.700 -0.064 0.000 0.779 434 G N -2.299 106.548 108.800 0.078 0.000 3.393 434 G HA2 0.509 4.468 3.960 -0.001 0.000 0.255 434 G HA3 0.509 4.468 3.960 -0.001 0.000 0.255 434 G C 0.421 175.452 174.900 0.219 0.000 1.097 434 G CA 0.275 45.439 45.100 0.106 0.000 0.780 434 G HN 0.539 nan 8.290 nan 0.000 0.540 435 G N -0.552 108.417 108.800 0.283 0.000 2.346 435 G HA2 0.225 4.184 3.960 -0.001 0.000 0.294 435 G HA3 0.225 4.184 3.960 -0.001 0.000 0.294 435 G C -1.435 173.556 174.900 0.150 0.000 1.294 435 G CA -0.771 44.492 45.100 0.271 0.000 0.962 435 G HN 0.657 nan 8.290 nan 0.000 0.508 436 L N 1.211 122.468 121.223 0.057 0.000 2.313 436 L HA 0.520 4.860 4.340 -0.001 0.000 0.282 436 L C 0.591 177.480 176.870 0.030 0.000 1.092 436 L CA -0.725 54.129 54.840 0.024 0.000 0.831 436 L CB 0.551 42.592 42.059 -0.030 0.000 1.159 436 L HN 0.599 nan 8.230 nan 0.000 0.442 437 N N 2.552 121.282 118.700 0.050 0.000 2.479 437 N HA 0.058 4.798 4.740 -0.001 0.000 0.257 437 N C 0.787 176.333 175.510 0.060 0.000 1.232 437 N CA 0.317 53.397 53.050 0.051 0.000 0.920 437 N CB 1.408 39.926 38.487 0.052 0.000 1.105 437 N HN 0.713 nan 8.380 nan 0.000 0.444 438 T N -0.257 114.339 114.554 0.070 0.000 2.851 438 T HA -0.012 4.338 4.350 -0.001 0.000 0.262 438 T C 0.782 175.567 174.700 0.142 0.000 1.043 438 T CA 1.363 63.516 62.100 0.089 0.000 1.140 438 T CB -0.039 68.854 68.868 0.041 0.000 0.872 438 T HN 0.807 nan 8.240 nan 0.000 0.446 439 T N -1.091 113.522 114.554 0.098 0.000 2.681 439 T HA 0.451 4.800 4.350 -0.001 0.000 0.296 439 T C 0.407 175.122 174.700 0.025 0.000 1.157 439 T CA -0.172 61.965 62.100 0.061 0.000 1.025 439 T CB 1.576 70.492 68.868 0.080 0.000 1.441 439 T HN -0.039 nan 8.240 nan 0.000 0.504 440 S N -0.739 114.954 115.700 -0.012 0.000 2.568 440 S HA 0.428 4.897 4.470 -0.001 0.000 0.232 440 S C 0.001 174.607 174.600 0.009 0.000 0.975 440 S CA -0.446 57.753 58.200 -0.002 0.000 0.949 440 S CB -0.242 62.941 63.200 -0.028 0.000 0.829 440 S HN 0.663 nan 8.310 nan 0.000 0.479 441 V N 2.161 122.087 119.914 0.019 0.000 2.384 441 V HA 0.383 4.503 4.120 -0.001 0.000 0.287 441 V C -0.172 175.947 176.094 0.042 0.000 1.020 441 V CA -0.692 61.624 62.300 0.028 0.000 0.850 441 V CB 1.541 33.380 31.823 0.027 0.000 0.987 441 V HN 0.291 nan 8.190 nan 0.000 0.436 442 K N 2.871 123.293 120.400 0.036 0.000 2.206 442 K HA 0.197 4.516 4.320 -0.001 0.000 0.268 442 K C 0.996 177.621 176.600 0.042 0.000 1.111 442 K CA 0.017 56.326 56.287 0.037 0.000 0.955 442 K CB 0.658 33.173 32.500 0.025 0.000 1.406 442 K HN 0.854 nan 8.250 nan 0.000 0.427 443 S N 1.040 116.776 115.700 0.059 0.000 2.517 443 S HA 0.104 4.573 4.470 -0.001 0.000 0.214 443 S C 1.443 176.083 174.600 0.066 0.000 0.991 443 S CA 0.330 58.569 58.200 0.067 0.000 0.906 443 S CB 0.268 63.525 63.200 0.094 0.000 0.789 443 S HN 0.785 nan 8.310 nan 0.000 0.513 444 G N 0.569 109.405 108.800 0.061 0.000 2.195 444 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.246 444 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.246 444 G C 0.000 174.951 174.900 0.084 0.000 0.984 444 G CA 0.150 45.284 45.100 0.056 0.000 0.633 444 G HN 0.525 nan 8.290 nan 0.000 0.525 445 Q N -0.098 119.780 119.800 0.129 0.000 2.212 445 Q HA 0.451 4.791 4.340 -0.001 0.000 0.238 445 Q C 1.687 177.790 176.000 0.170 0.000 0.955 445 Q CA 0.261 56.184 55.803 0.199 0.000 0.906 445 Q CB 0.772 29.691 28.738 0.301 0.000 1.215 445 Q HN 0.728 nan 8.270 nan 0.000 0.478 446 Q N -0.855 119.064 119.800 0.199 0.000 2.269 446 Q HA -0.023 4.316 4.340 -0.001 0.000 0.201 446 Q C -0.178 175.907 176.000 0.143 0.000 0.946 446 Q CA 0.682 56.560 55.803 0.126 0.000 0.877 446 Q CB 0.034 28.837 28.738 0.108 0.000 0.963 446 Q HN 0.479 nan 8.270 nan 0.000 0.472 447 W N 2.724 124.127 121.300 0.172 0.000 1.611 447 W HA 0.422 5.081 4.660 -0.001 0.000 0.395 447 W C -0.719 175.812 176.519 0.020 0.000 0.698 447 W CA -0.277 57.036 57.345 -0.053 0.000 1.845 447 W CB 0.400 29.670 29.460 -0.316 0.000 1.818 447 W HN 0.060 nan 8.180 nan 0.000 0.270 448 D N -0.501 120.007 120.400 0.180 0.000 2.755 448 D HA 0.262 4.901 4.640 -0.001 0.000 0.277 448 D C -0.639 175.711 176.300 0.083 0.000 1.261 448 D CA -0.699 53.385 54.000 0.139 0.000 0.759 448 D CB 1.185 42.070 40.800 0.141 0.000 1.279 448 D HN -0.016 nan 8.370 nan 0.000 0.420 449 A N 1.288 124.146 122.820 0.063 0.000 2.561 449 A HA 0.317 4.636 4.320 -0.001 0.000 0.234 449 A C -1.741 175.857 177.584 0.022 0.000 1.055 449 A CA -0.181 51.879 52.037 0.038 0.000 0.756 449 A CB -0.052 18.969 19.000 0.035 0.000 0.986 449 A HN 0.317 nan 8.150 nan 0.000 0.505 450 P HA 0.103 nan 4.420 nan 0.000 0.254 450 P C -0.670 176.616 177.300 -0.023 0.000 1.620 450 P CA -0.276 62.823 63.100 -0.002 0.000 1.050 450 P CB -0.056 31.638 31.700 -0.009 0.000 1.539 451 N N 0.748 119.424 118.700 -0.041 0.000 2.499 451 N HA 0.383 5.122 4.740 -0.001 0.000 0.281 451 N C 0.586 176.047 175.510 -0.081 0.000 1.098 451 N CA 0.189 53.161 53.050 -0.129 0.000 0.979 451 N CB 0.983 39.341 38.487 -0.214 0.000 1.121 451 N HN 0.038 nan 8.380 nan 0.000 0.466 452 G N 0.697 109.424 108.800 -0.122 0.000 2.416 452 G HA2 0.517 4.476 3.960 -0.001 0.000 0.324 452 G HA3 0.517 4.476 3.960 -0.001 0.000 0.324 452 G C -1.394 173.382 174.900 -0.207 0.000 1.194 452 G CA -0.554 44.513 45.100 -0.055 0.000 0.922 452 G HN 0.415 nan 8.290 nan 0.000 0.467 453 W N 1.626 122.698 121.300 -0.380 0.000 2.529 453 W HA 0.530 5.190 4.660 -0.001 0.000 0.321 453 W C 0.971 177.055 176.519 -0.725 0.000 1.047 453 W CA -0.220 56.800 57.345 -0.541 0.000 1.216 453 W CB 2.119 31.101 29.460 -0.797 0.000 1.357 453 W HN 0.759 nan 8.180 nan 0.000 0.489 454 A N 5.393 127.914 122.820 -0.498 0.000 1.896 454 A HA -0.244 4.076 4.320 -0.001 0.000 0.220 454 A C -0.178 176.927 177.584 -0.798 0.000 1.206 454 A CA 2.285 53.928 52.037 -0.657 0.000 0.647 454 A CB -1.894 16.950 19.000 -0.261 0.000 0.828 454 A HN 0.517 nan 8.150 nan 0.000 0.455 455 P HA -0.143 nan 4.420 nan 0.000 0.216 455 P C 1.532 178.415 177.300 -0.695 0.000 1.150 455 P CA 1.151 63.308 63.100 -1.573 0.000 0.837 455 P CB -0.257 30.058 31.700 -2.308 0.000 0.786 456 L N -0.805 120.149 121.223 -0.449 0.000 2.141 456 L HA -0.148 4.191 4.340 -0.001 0.000 0.209 456 L C 2.903 179.651 176.870 -0.203 0.000 1.094 456 L CA 1.147 55.897 54.840 -0.150 0.000 0.763 456 L CB -1.013 41.048 42.059 0.003 0.000 0.908 456 L HN -0.031 nan 8.230 nan 0.000 0.437 457 Q N -0.489 119.104 119.800 -0.346 0.000 2.050 457 Q HA -0.257 4.082 4.340 -0.001 0.000 0.202 457 Q C 1.992 177.919 176.000 -0.123 0.000 0.980 457 Q CA 1.790 57.398 55.803 -0.325 0.000 0.840 457 Q CB -0.671 27.650 28.738 -0.695 0.000 0.898 457 Q HN 0.664 nan 8.270 nan 0.000 0.424 458 W N 2.112 123.262 121.300 -0.250 0.000 2.381 458 W HA -0.165 4.494 4.660 -0.001 0.000 0.301 458 W C 2.009 178.492 176.519 -0.058 0.000 1.205 458 W CA 2.049 59.355 57.345 -0.064 0.000 1.285 458 W CB 0.189 29.705 29.460 0.093 0.000 1.133 458 W HN 0.070 nan 8.180 nan 0.000 0.521 459 V N 0.567 120.356 119.914 -0.209 0.000 2.332 459 V HA -0.221 3.898 4.120 -0.001 0.000 0.248 459 V C 2.378 178.236 176.094 -0.392 0.000 1.055 459 V CA 2.396 64.302 62.300 -0.657 0.000 1.038 459 V CB -1.929 29.305 31.823 -0.983 0.000 0.651 459 V HN 0.130 nan 8.190 nan 0.000 0.450 460 A N 1.771 124.444 122.820 -0.244 0.000 1.877 460 A HA -0.192 4.127 4.320 -0.001 0.000 0.216 460 A C 2.584 180.092 177.584 -0.127 0.000 1.186 460 A CA 3.287 55.246 52.037 -0.129 0.000 0.620 460 A CB -1.449 17.505 19.000 -0.076 0.000 0.822 460 A HN 0.824 nan 8.150 nan 0.000 0.443 461 T N -2.557 111.883 114.554 -0.190 0.000 2.777 461 T HA -0.121 4.228 4.350 -0.001 0.000 0.266 461 T C 1.641 176.188 174.700 -0.255 0.000 1.040 461 T CA 1.459 63.443 62.100 -0.192 0.000 1.141 461 T CB -0.324 68.433 68.868 -0.185 0.000 0.868 461 T HN 0.400 nan 8.240 nan 0.000 0.444 462 E N 1.406 121.344 120.200 -0.436 0.000 2.072 462 E HA 0.011 4.360 4.350 -0.001 0.000 0.191 462 E C 2.578 179.156 176.600 -0.037 0.000 0.985 462 E CA 1.259 57.466 56.400 -0.322 0.000 0.801 462 E CB -1.012 28.448 29.700 -0.400 0.000 0.750 462 E HN 0.687 nan 8.360 nan 0.000 0.452 463 G N 1.338 110.173 108.800 0.057 0.000 2.440 463 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.218 463 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.218 463 G C 1.766 176.764 174.900 0.162 0.000 1.154 463 G CA 0.637 45.825 45.100 0.148 0.000 0.767 463 G HN 0.170 nan 8.290 nan 0.000 0.552 464 L N -0.238 121.029 121.223 0.074 0.000 2.046 464 L HA -0.106 4.233 4.340 -0.001 0.000 0.208 464 L C 3.139 180.072 176.870 0.106 0.000 1.077 464 L CA 1.194 56.089 54.840 0.092 0.000 0.747 464 L CB -0.391 41.692 42.059 0.040 0.000 0.896 464 L HN 0.262 nan 8.230 nan 0.000 0.432 465 Q N -0.398 119.427 119.800 0.041 0.000 2.224 465 Q HA -0.153 4.186 4.340 -0.001 0.000 0.203 465 Q C 1.808 177.824 176.000 0.027 0.000 0.970 465 Q CA 0.965 56.783 55.803 0.024 0.000 0.865 465 Q CB -0.113 28.612 28.738 -0.022 0.000 0.922 465 Q HN 0.463 nan 8.270 nan 0.000 0.445 466 N N -0.335 118.393 118.700 0.046 0.000 2.364 466 N HA -0.134 4.605 4.740 -0.001 0.000 0.183 466 N C 0.188 175.546 175.510 -0.254 0.000 1.022 466 N CA 1.156 54.163 53.050 -0.070 0.000 0.883 466 N CB 0.103 38.572 38.487 -0.030 0.000 0.965 466 N HN 0.384 nan 8.380 nan 0.000 0.438 467 Y N -1.306 118.998 120.300 0.007 0.000 2.682 467 Y HA 0.343 4.892 4.550 -0.001 0.000 0.251 467 Y C 1.402 177.311 175.900 0.016 0.000 1.172 467 Y CA -0.234 57.874 58.100 0.014 0.000 1.186 467 Y CB 0.547 39.022 38.460 0.025 0.000 1.216 467 Y HN -0.000 nan 8.280 nan 0.000 0.540 468 G N 0.271 109.127 108.800 0.093 0.000 2.155 468 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.257 468 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.257 468 G C 0.314 175.258 174.900 0.074 0.000 0.983 468 G CA -0.128 45.011 45.100 0.064 0.000 0.676 468 G HN 0.291 nan 8.290 nan 0.000 0.528 469 Q N -0.010 119.846 119.800 0.092 0.000 3.181 469 Q HA 0.244 4.583 4.340 -0.001 0.000 0.293 469 Q C 1.580 177.614 176.000 0.055 0.000 1.406 469 Q CA 0.050 55.897 55.803 0.074 0.000 1.026 469 Q CB 0.280 29.068 28.738 0.083 0.000 1.630 469 Q HN 0.640 nan 8.270 nan 0.000 0.553 470 K N 0.242 120.672 120.400 0.051 0.000 2.155 470 K HA -0.088 4.231 4.320 -0.001 0.000 0.203 470 K C 1.444 178.076 176.600 0.053 0.000 1.052 470 K CA 0.654 56.970 56.287 0.049 0.000 0.948 470 K CB 0.483 33.013 32.500 0.050 0.000 0.728 470 K HN 0.235 nan 8.250 nan 0.000 0.448 471 E N 0.758 120.986 120.200 0.047 0.000 2.047 471 E HA -0.135 4.214 4.350 -0.001 0.000 0.191 471 E C 2.212 178.832 176.600 0.033 0.000 0.987 471 E CA 1.092 57.517 56.400 0.043 0.000 0.799 471 E CB -0.229 29.490 29.700 0.032 0.000 0.752 471 E HN 0.058 nan 8.360 nan 0.000 0.449 472 V N 1.731 121.660 119.914 0.025 0.000 2.427 472 V HA -0.209 3.910 4.120 -0.001 0.000 0.248 472 V C 2.479 178.575 176.094 0.004 0.000 1.051 472 V CA 1.633 63.937 62.300 0.007 0.000 1.048 472 V CB -0.910 30.922 31.823 0.016 0.000 0.666 472 V HN 0.218 nan 8.190 nan 0.000 0.456 473 A N -0.009 122.822 122.820 0.019 0.000 1.902 473 A HA -0.284 4.036 4.320 -0.001 0.000 0.217 473 A C 2.185 179.792 177.584 0.039 0.000 1.181 473 A CA 2.469 54.512 52.037 0.009 0.000 0.623 473 A CB -0.563 18.439 19.000 0.004 0.000 0.818 473 A HN 0.477 nan 8.150 nan 0.000 0.443 474 M N 0.266 119.916 119.600 0.084 0.000 2.117 474 M HA -0.120 4.359 4.480 -0.001 0.000 0.262 474 M C 1.066 177.508 176.300 0.236 0.000 1.065 474 M CA 2.170 57.584 55.300 0.190 0.000 1.114 474 M CB -0.748 31.984 32.600 0.219 0.000 1.361 474 M HN 0.337 nan 8.290 nan 0.000 0.408 475 D N 0.048 120.495 120.400 0.078 0.000 2.117 475 D HA -0.083 4.556 4.640 -0.001 0.000 0.198 475 D C 2.105 178.288 176.300 -0.195 0.000 0.982 475 D CA 1.590 55.529 54.000 -0.102 0.000 0.828 475 D CB -0.352 40.304 40.800 -0.239 0.000 0.967 475 D HN 0.468 nan 8.370 nan 0.000 0.464 476 I N 0.670 121.189 120.570 -0.084 0.000 2.163 476 I HA -0.275 3.895 4.170 -0.001 0.000 0.243 476 I C 2.333 178.509 176.117 0.098 0.000 1.085 476 I CA 0.918 62.207 61.300 -0.018 0.000 1.347 476 I CB -0.168 37.819 38.000 -0.021 0.000 1.044 476 I HN -0.093 nan 8.210 nan 0.000 0.408 477 S N -0.310 115.449 115.700 0.098 0.000 2.356 477 S HA -0.206 4.263 4.470 -0.001 0.000 0.223 477 S C 1.641 176.302 174.600 0.102 0.000 1.032 477 S CA 1.412 59.671 58.200 0.098 0.000 1.005 477 S CB -0.474 62.737 63.200 0.019 0.000 0.867 477 S HN 0.434 nan 8.310 nan 0.000 0.449 478 W N 1.531 122.902 121.300 0.118 0.000 2.358 478 W HA -0.081 4.578 4.660 -0.001 0.000 0.303 478 W C 2.450 179.102 176.519 0.221 0.000 1.208 478 W CA 1.246 58.680 57.345 0.147 0.000 1.274 478 W CB -0.546 29.004 29.460 0.149 0.000 1.138 478 W HN 0.498 nan 8.180 nan 0.000 0.515 479 H N -2.147 117.110 119.070 0.312 0.000 2.321 479 H HA -0.206 4.349 4.556 -0.001 0.000 0.300 479 H C 2.051 177.473 175.328 0.156 0.000 1.087 479 H CA 1.415 57.586 56.048 0.204 0.000 1.319 479 H CB -0.598 29.263 29.762 0.165 0.000 1.379 479 H HN 0.081 nan 8.280 nan 0.000 0.501 480 F N 1.546 121.575 119.950 0.132 0.000 2.102 480 F HA -0.162 4.365 4.527 -0.001 0.000 0.298 480 F C 2.239 177.977 175.800 -0.103 0.000 1.105 480 F CA 0.997 58.979 58.000 -0.030 0.000 1.239 480 F CB -0.525 38.439 39.000 -0.060 0.000 0.991 480 F HN -0.017 nan 8.300 nan 0.000 0.474 481 L N -0.574 120.609 121.223 -0.067 0.000 2.079 481 L HA -0.260 4.079 4.340 -0.001 0.000 0.210 481 L C 2.321 179.090 176.870 -0.169 0.000 1.081 481 L CA 1.866 56.583 54.840 -0.205 0.000 0.752 481 L CB -1.051 40.904 42.059 -0.174 0.000 0.896 481 L HN 0.149 nan 8.230 nan 0.000 0.433 482 T N -0.819 113.729 114.554 -0.010 0.000 2.788 482 T HA -0.187 4.163 4.350 -0.001 0.000 0.268 482 T C 1.758 176.441 174.700 -0.028 0.000 1.044 482 T CA 1.421 63.545 62.100 0.040 0.000 1.139 482 T CB -0.279 68.662 68.868 0.122 0.000 0.867 482 T HN 0.266 nan 8.240 nan 0.000 0.454 483 N N 0.918 119.533 118.700 -0.142 0.000 2.084 483 N HA -0.081 4.658 4.740 -0.001 0.000 0.190 483 N C 1.881 177.187 175.510 -0.340 0.000 1.030 483 N CA 0.973 53.895 53.050 -0.214 0.000 0.849 483 N CB -0.581 37.720 38.487 -0.309 0.000 1.012 483 N HN 0.201 nan 8.380 nan 0.000 0.423 484 V N 0.987 120.498 119.914 -0.670 0.000 2.295 484 V HA -0.223 3.896 4.120 -0.001 0.000 0.246 484 V C 2.521 178.529 176.094 -0.143 0.000 1.049 484 V CA 1.893 63.841 62.300 -0.587 0.000 1.024 484 V CB -0.689 30.704 31.823 -0.716 0.000 0.648 484 V HN 0.351 nan 8.190 nan 0.000 0.447 485 Q N -0.226 119.514 119.800 -0.100 0.000 2.050 485 Q HA -0.250 4.090 4.340 -0.001 0.000 0.202 485 Q C 2.196 178.290 176.000 0.157 0.000 0.980 485 Q CA 2.380 58.210 55.803 0.046 0.000 0.840 485 Q CB -0.552 28.202 28.738 0.027 0.000 0.898 485 Q HN 0.816 nan 8.270 nan 0.000 0.424 486 H N -1.556 117.512 119.070 -0.003 0.000 2.353 486 H HA -0.105 4.450 4.556 -0.001 0.000 0.300 486 H C 1.454 176.792 175.328 0.016 0.000 1.090 486 H CA 1.567 57.617 56.048 0.004 0.000 1.327 486 H CB 0.279 30.032 29.762 -0.014 0.000 1.383 486 H HN 0.344 nan 8.280 nan 0.000 0.508 487 T N 0.005 114.613 114.554 0.092 0.000 2.746 487 T HA -0.217 4.132 4.350 -0.001 0.000 0.267 487 T C 1.607 176.352 174.700 0.074 0.000 1.039 487 T CA 1.457 63.581 62.100 0.040 0.000 1.142 487 T CB -0.644 68.321 68.868 0.161 0.000 0.866 487 T HN 0.438 nan 8.240 nan 0.000 0.444 488 Y N 2.423 122.723 120.300 0.000 0.000 2.181 488 Y HA -0.162 4.387 4.550 -0.001 0.000 0.288 488 Y C 1.971 177.843 175.900 -0.046 0.000 1.146 488 Y CA 1.381 59.453 58.100 -0.047 0.000 1.164 488 Y CB -0.451 37.970 38.460 -0.065 0.000 0.982 488 Y HN 0.118 nan 8.280 nan 0.000 0.515 489 D N -0.161 120.222 120.400 -0.027 0.000 2.149 489 D HA -0.158 4.481 4.640 -0.001 0.000 0.198 489 D C 2.215 178.443 176.300 -0.120 0.000 0.990 489 D CA 1.407 55.347 54.000 -0.101 0.000 0.839 489 D CB -0.196 40.627 40.800 0.039 0.000 0.948 489 D HN 0.442 nan 8.370 nan 0.000 0.460 490 R N 0.113 120.581 120.500 -0.053 0.000 2.055 490 R HA 0.015 4.354 4.340 -0.001 0.000 0.226 490 R C 1.628 177.860 176.300 -0.113 0.000 1.135 490 R CA 0.792 56.856 56.100 -0.061 0.000 0.959 490 R CB 0.145 30.414 30.300 -0.051 0.000 0.854 490 R HN 0.105 nan 8.270 nan 0.000 0.431 491 E N 0.123 120.244 120.200 -0.131 0.000 2.473 491 E HA 0.053 4.403 4.350 -0.001 0.000 0.204 491 E C -0.130 176.367 176.600 -0.172 0.000 0.994 491 E CA 0.031 56.357 56.400 -0.124 0.000 0.945 491 E CB 0.646 30.294 29.700 -0.087 0.000 0.990 491 E HN -0.029 nan 8.360 nan 0.000 0.493 492 K N 0.987 121.189 120.400 -0.329 0.000 3.117 492 K HA -0.208 4.111 4.320 -0.001 0.000 0.269 492 K C -0.363 176.087 176.600 -0.251 0.000 1.098 492 K CA 1.044 57.031 56.287 -0.500 0.000 0.785 492 K CB -1.639 30.659 32.500 -0.336 0.000 1.242 492 K HN 0.431 nan 8.250 nan 0.000 0.491 493 K N -1.763 118.610 120.400 -0.044 0.000 2.615 493 K HA 0.588 4.907 4.320 -0.001 0.000 0.291 493 K C -1.231 175.509 176.600 0.233 0.000 1.017 493 K CA -1.349 55.019 56.287 0.134 0.000 0.882 493 K CB 1.262 33.818 32.500 0.094 0.000 1.522 493 K HN -0.120 nan 8.250 nan 0.000 0.412 494 L N 1.432 122.815 121.223 0.267 0.000 2.334 494 L HA 0.656 4.995 4.340 -0.001 0.000 0.273 494 L C 0.156 177.135 176.870 0.181 0.000 1.013 494 L CA -0.893 54.097 54.840 0.251 0.000 0.816 494 L CB 1.154 43.360 42.059 0.245 0.000 1.278 494 L HN 0.754 nan 8.230 nan 0.000 0.431 495 V N -1.051 118.907 119.914 0.075 0.000 3.158 495 V HA 0.557 4.676 4.120 -0.001 0.000 0.311 495 V C 0.904 176.813 176.094 -0.309 0.000 1.181 495 V CA -0.640 61.552 62.300 -0.180 0.000 1.054 495 V CB 1.899 33.462 31.823 -0.433 0.000 1.085 495 V HN 0.850 nan 8.190 nan 0.000 0.446 496 E N 0.769 120.545 120.200 -0.706 0.000 2.072 496 E HA -0.052 4.297 4.350 -0.001 0.000 0.191 496 E C 0.401 176.531 176.600 -0.783 0.000 0.985 496 E CA 1.375 57.076 56.400 -1.164 0.000 0.801 496 E CB 0.172 29.101 29.700 -1.284 0.000 0.750 496 E HN 0.746 nan 8.360 nan 0.000 0.452 497 K N -1.314 118.516 120.400 -0.950 0.000 2.555 497 K HA 0.201 4.520 4.320 -0.001 0.000 0.279 497 K C -1.789 174.303 176.600 -0.847 0.000 0.986 497 K CA -0.748 54.922 56.287 -1.029 0.000 0.880 497 K CB 0.722 32.032 32.500 -1.984 0.000 1.474 497 K HN -0.063 nan 8.250 nan 0.000 0.433 498 Y N -0.132 119.915 120.300 -0.422 0.000 2.499 498 Y HA 0.230 4.779 4.550 -0.001 0.000 0.347 498 Y C -0.310 175.468 175.900 -0.204 0.000 0.987 498 Y CA -0.786 57.171 58.100 -0.240 0.000 1.044 498 Y CB 1.998 40.385 38.460 -0.123 0.000 1.245 498 Y HN 0.630 nan 8.280 nan 0.000 0.461 499 D N 1.992 122.368 120.400 -0.040 0.000 2.336 499 D HA 0.092 4.732 4.640 -0.001 0.000 0.249 499 D C 0.710 177.026 176.300 0.027 0.000 1.213 499 D CA 0.126 54.104 54.000 -0.038 0.000 0.870 499 D CB 1.571 42.332 40.800 -0.066 0.000 1.076 499 D HN 0.494 nan 8.370 nan 0.000 0.483 500 V N 1.998 121.937 119.914 0.041 0.000 3.623 500 V HA -0.024 4.096 4.120 -0.001 0.000 0.271 500 V C 1.823 177.949 176.094 0.054 0.000 1.248 500 V CA 0.967 63.312 62.300 0.074 0.000 1.156 500 V CB -0.608 31.276 31.823 0.101 0.000 0.870 500 V HN 0.495 nan 8.190 nan 0.000 0.453 501 S N 1.357 117.074 115.700 0.028 0.000 2.423 501 S HA -0.044 4.425 4.470 -0.001 0.000 0.231 501 S C 1.165 175.774 174.600 0.015 0.000 1.014 501 S CA 1.111 59.325 58.200 0.022 0.000 0.965 501 S CB -0.687 62.519 63.200 0.011 0.000 0.785 501 S HN 0.987 nan 8.310 nan 0.000 0.495 502 T N -1.116 113.444 114.554 0.010 0.000 2.591 502 T HA 0.653 5.002 4.350 -0.001 0.000 0.274 502 T C -0.401 174.308 174.700 0.015 0.000 0.945 502 T CA -0.162 61.942 62.100 0.008 0.000 1.087 502 T CB 1.184 70.052 68.868 -0.002 0.000 1.416 502 T HN 0.394 nan 8.240 nan 0.000 0.514 503 T N -3.410 111.164 114.554 0.033 0.000 2.916 503 T HA 0.665 5.014 4.350 -0.001 0.000 0.292 503 T C 1.017 175.617 174.700 -0.168 0.000 1.055 503 T CA -0.016 62.109 62.100 0.041 0.000 1.009 503 T CB 1.029 70.011 68.868 0.189 0.000 1.118 503 T HN 2.257 nan 8.240 nan 0.000 0.497 504 G N 0.718 109.344 108.800 -0.290 0.000 2.175 504 G HA2 -0.131 3.829 3.960 -0.001 0.000 0.244 504 G HA3 -0.131 3.829 3.960 -0.001 0.000 0.244 504 G C 0.055 174.761 174.900 -0.323 0.000 0.982 504 G CA 0.077 44.787 45.100 -0.649 0.000 0.641 504 G HN 1.138 nan 8.290 nan 0.000 0.527 505 T N 0.485 114.940 114.554 -0.165 0.000 2.848 505 T HA 0.655 5.005 4.350 -0.001 0.000 0.285 505 T C 0.676 175.284 174.700 -0.153 0.000 0.995 505 T CA 0.192 62.204 62.100 -0.146 0.000 0.970 505 T CB 1.886 70.678 68.868 -0.127 0.000 0.976 505 T HN 1.066 nan 8.240 nan 0.000 0.441 506 G N 1.244 109.889 108.800 -0.258 0.000 2.569 506 G HA2 0.519 4.478 3.960 -0.001 0.000 0.249 506 G HA3 0.519 4.478 3.960 -0.001 0.000 0.249 506 G C 0.537 175.238 174.900 -0.331 0.000 1.216 506 G CA -0.408 44.430 45.100 -0.436 0.000 0.845 506 G HN 0.870 nan 8.290 nan 0.000 0.568 507 G N -1.105 107.447 108.800 -0.413 0.000 2.563 507 G HA2 0.660 4.619 3.960 -0.001 0.000 0.283 507 G HA3 0.660 4.619 3.960 -0.001 0.000 0.283 507 G C 0.235 174.955 174.900 -0.299 0.000 1.309 507 G CA 0.117 45.018 45.100 -0.332 0.000 1.022 507 G HN 1.129 nan 8.290 nan 0.000 0.501 508 G N -2.826 105.834 108.800 -0.234 0.000 2.947 508 G HA2 0.801 4.761 3.960 -0.001 0.000 0.293 508 G HA3 0.801 4.761 3.960 -0.001 0.000 0.293 508 G C -0.077 174.736 174.900 -0.144 0.000 1.243 508 G CA 0.179 45.169 45.100 -0.183 0.000 0.802 508 G HN 2.138 nan 8.290 nan 0.000 0.560 509 G N -2.385 106.356 108.800 -0.100 0.000 2.662 509 G HA2 0.571 4.530 3.960 -0.001 0.000 0.686 509 G HA3 0.571 4.530 3.960 -0.001 0.000 0.686 509 G C 0.864 175.730 174.900 -0.057 0.000 1.271 509 G CA 0.693 45.766 45.100 -0.046 0.000 0.816 509 G HN 2.884 nan 8.290 nan 0.000 0.608 510 G N -0.138 108.679 108.800 0.027 0.000 2.642 510 G HA2 0.188 4.147 3.960 -0.001 0.000 0.231 510 G HA3 0.188 4.147 3.960 -0.001 0.000 0.231 510 G C 0.884 175.809 174.900 0.042 0.000 1.338 510 G CA 0.950 46.095 45.100 0.076 0.000 0.883 510 G HN 2.350 nan 8.290 nan 0.000 0.570 511 E N -0.725 119.541 120.200 0.111 0.000 2.489 511 E HA 0.313 4.663 4.350 -0.001 0.000 0.193 511 E C 0.657 177.399 176.600 0.236 0.000 1.057 511 E CA 0.921 57.442 56.400 0.202 0.000 0.866 511 E CB 0.085 29.991 29.700 0.343 0.000 0.916 511 E HN 1.091 nan 8.360 nan 0.000 0.500 512 Y N -1.311 119.088 120.300 0.165 0.000 2.615 512 Y HA 0.712 5.261 4.550 -0.001 0.000 0.341 512 Y C -3.033 172.909 175.900 0.070 0.000 1.089 512 Y CA -3.565 54.601 58.100 0.109 0.000 1.049 512 Y CB 0.234 38.762 38.460 0.114 0.000 1.296 512 Y HN -0.289 nan 8.280 nan 0.000 0.470 513 P HA 0.177 nan 4.420 nan 0.000 0.274 513 P C -0.720 176.648 177.300 0.113 0.000 1.237 513 P CA -0.531 62.621 63.100 0.087 0.000 0.793 513 P CB 0.824 32.563 31.700 0.066 0.000 0.977 514 L N 2.039 123.244 121.223 -0.031 0.000 2.640 514 L HA -0.064 4.276 4.340 -0.001 0.000 0.280 514 L C 0.134 176.987 176.870 -0.029 0.000 1.229 514 L CA 1.121 55.905 54.840 -0.093 0.000 0.919 514 L CB -0.409 41.534 42.059 -0.193 0.000 1.168 514 L HN 0.247 nan 8.230 nan 0.000 0.496 515 Q N 3.505 123.291 119.800 -0.023 0.000 2.215 515 Q HA 0.431 4.770 4.340 -0.001 0.000 0.256 515 Q C -1.028 174.987 176.000 0.025 0.000 0.972 515 Q CA -0.641 55.192 55.803 0.050 0.000 0.889 515 Q CB 1.612 30.499 28.738 0.248 0.000 1.281 515 Q HN 0.603 nan 8.270 nan 0.000 0.456 516 D N -0.862 119.637 120.400 0.165 0.000 2.252 516 D HA 0.691 5.331 4.640 -0.001 0.000 0.245 516 D C 0.448 176.951 176.300 0.339 0.000 1.009 516 D CA -0.188 53.920 54.000 0.181 0.000 0.870 516 D CB 2.002 42.857 40.800 0.091 0.000 1.251 516 D HN 0.683 nan 8.370 nan 0.000 0.460 517 G N 0.257 109.250 108.800 0.323 0.000 3.979 517 G HA2 -0.009 3.951 3.960 -0.001 0.000 0.113 517 G HA3 -0.009 3.951 3.960 -0.001 0.000 0.113 517 G C -1.167 173.838 174.900 0.174 0.000 1.904 517 G CA -0.429 44.791 45.100 0.199 0.000 0.982 517 G HN 0.366 nan 8.290 nan 0.000 0.300 518 F N 2.175 122.155 119.950 0.051 0.000 2.562 518 F HA 0.581 5.107 4.527 -0.001 0.000 0.319 518 F C 1.241 177.105 175.800 0.106 0.000 1.154 518 F CA 0.266 58.313 58.000 0.078 0.000 0.931 518 F CB 1.771 40.837 39.000 0.111 0.000 1.198 518 F HN 0.550 nan 8.300 nan 0.000 0.444 519 G N 5.061 113.653 108.800 -0.346 0.000 2.766 519 G HA2 -0.395 3.564 3.960 -0.001 0.000 0.222 519 G HA3 -0.395 3.564 3.960 -0.001 0.000 0.222 519 G C 1.074 176.119 174.900 0.241 0.000 1.225 519 G CA 1.756 46.828 45.100 -0.047 0.000 0.784 519 G HN 0.898 nan 8.290 nan 0.000 0.631 520 W N 0.776 122.157 121.300 0.135 0.000 2.519 520 W HA 0.217 4.876 4.660 -0.001 0.000 0.266 520 W C 2.075 178.699 176.519 0.176 0.000 1.253 520 W CA 1.220 58.658 57.345 0.155 0.000 1.274 520 W CB -1.432 28.053 29.460 0.041 0.000 1.114 520 W HN 0.117 nan 8.180 nan 0.000 0.596 521 T N 1.959 116.960 114.554 0.746 0.000 2.737 521 T HA -0.225 4.124 4.350 -0.001 0.000 0.265 521 T C 1.548 176.420 174.700 0.286 0.000 1.038 521 T CA 2.062 64.458 62.100 0.494 0.000 1.144 521 T CB -0.436 68.766 68.868 0.557 0.000 0.866 521 T HN 0.100 nan 8.240 nan 0.000 0.434 522 N N 1.160 119.997 118.700 0.228 0.000 2.084 522 N HA -0.034 4.705 4.740 -0.001 0.000 0.190 522 N C 2.125 177.725 175.510 0.150 0.000 1.030 522 N CA 1.392 54.477 53.050 0.058 0.000 0.849 522 N CB -0.979 37.388 38.487 -0.201 0.000 1.012 522 N HN 0.468 nan 8.380 nan 0.000 0.423 523 G N 0.502 109.481 108.800 0.297 0.000 2.421 523 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.216 523 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.216 523 G C 1.634 176.548 174.900 0.023 0.000 1.171 523 G CA 0.815 46.050 45.100 0.226 0.000 0.775 523 G HN 0.207 nan 8.290 nan 0.000 0.543 524 V N 0.934 120.873 119.914 0.041 0.000 2.427 524 V HA -0.164 3.955 4.120 -0.001 0.000 0.248 524 V C 3.157 179.247 176.094 -0.006 0.000 1.051 524 V CA 2.273 64.534 62.300 -0.065 0.000 1.048 524 V CB -0.795 31.042 31.823 0.023 0.000 0.666 524 V HN 0.381 nan 8.190 nan 0.000 0.456 525 T N 0.334 114.924 114.554 0.060 0.000 2.720 525 T HA -0.201 4.148 4.350 -0.001 0.000 0.268 525 T C 1.879 176.558 174.700 -0.034 0.000 1.037 525 T CA 1.664 63.771 62.100 0.012 0.000 1.144 525 T CB -0.333 68.517 68.868 -0.031 0.000 0.864 525 T HN 0.225 nan 8.240 nan 0.000 0.444 526 L N 1.063 122.270 121.223 -0.028 0.000 2.046 526 L HA -0.023 4.316 4.340 -0.001 0.000 0.208 526 L C 2.278 179.107 176.870 -0.068 0.000 1.077 526 L CA 1.742 56.563 54.840 -0.032 0.000 0.747 526 L CB -0.498 41.577 42.059 0.027 0.000 0.896 526 L HN -0.007 nan 8.230 nan 0.000 0.432 527 K N -0.877 119.435 120.400 -0.147 0.000 2.026 527 K HA -0.140 4.179 4.320 -0.001 0.000 0.208 527 K C 2.079 178.669 176.600 -0.016 0.000 1.048 527 K CA 1.843 58.007 56.287 -0.205 0.000 0.929 527 K CB -0.475 31.597 32.500 -0.713 0.000 0.713 527 K HN 0.388 nan 8.250 nan 0.000 0.439 528 M N 0.452 120.068 119.600 0.026 0.000 2.175 528 M HA -0.096 4.383 4.480 -0.001 0.000 0.264 528 M C 2.275 178.548 176.300 -0.046 0.000 1.063 528 M CA 1.143 56.494 55.300 0.085 0.000 1.119 528 M CB -0.314 32.350 32.600 0.106 0.000 1.377 528 M HN 0.039 nan 8.290 nan 0.000 0.415 529 L N 0.239 121.418 121.223 -0.074 0.000 2.079 529 L HA -0.277 4.062 4.340 -0.001 0.000 0.210 529 L C 1.817 178.647 176.870 -0.066 0.000 1.081 529 L CA 1.258 56.035 54.840 -0.106 0.000 0.752 529 L CB -0.715 41.293 42.059 -0.084 0.000 0.896 529 L HN 0.300 nan 8.230 nan 0.000 0.433 530 D N -0.449 119.938 120.400 -0.022 0.000 2.178 530 D HA -0.170 4.469 4.640 -0.001 0.000 0.202 530 D C 2.044 178.362 176.300 0.031 0.000 0.974 530 D CA 0.669 54.675 54.000 0.011 0.000 0.841 530 D CB -0.117 40.700 40.800 0.028 0.000 0.953 530 D HN 0.132 nan 8.370 nan 0.000 0.478 531 L N 1.233 122.483 121.223 0.046 0.000 2.141 531 L HA -0.038 4.301 4.340 -0.001 0.000 0.209 531 L C 1.824 178.702 176.870 0.013 0.000 1.094 531 L CA 1.379 56.256 54.840 0.062 0.000 0.763 531 L CB -0.543 41.582 42.059 0.110 0.000 0.908 531 L HN 0.096 nan 8.230 nan 0.000 0.437 532 I N -3.342 117.176 120.570 -0.087 0.000 3.427 532 I HA 0.089 4.258 4.170 -0.001 0.000 0.288 532 I C 0.644 176.780 176.117 0.032 0.000 1.249 532 I CA -0.231 60.982 61.300 -0.145 0.000 1.421 532 I CB -0.417 37.138 38.000 -0.741 0.000 1.086 532 I HN 0.045 nan 8.210 nan 0.000 0.448 533 c N 1.432 120.043 118.600 0.019 0.000 2.561 533 c HA 0.465 5.034 4.570 -0.001 0.000 0.319 533 c C -0.949 173.178 174.090 0.062 0.000 1.198 533 c CA -0.683 55.686 56.329 0.067 0.000 1.665 533 c CB 1.581 44.118 42.510 0.044 0.000 2.258 533 c HN 0.123 nan 8.230 nan 0.000 0.493 534 P HA -0.174 nan 4.420 nan 0.000 0.218 534 P C 1.363 178.693 177.300 0.049 0.000 1.154 534 P CA 3.894 67.030 63.100 0.060 0.000 0.872 534 P CB 0.132 31.866 31.700 0.056 0.000 0.790 535 K N -2.039 118.386 120.400 0.042 0.000 3.459 535 K HA -0.276 4.043 4.320 -0.001 0.000 0.291 535 K C 1.392 178.013 176.600 0.034 0.000 0.863 535 K CA 1.858 58.167 56.287 0.037 0.000 1.269 535 K CB -2.935 29.589 32.500 0.040 0.000 1.300 535 K HN 0.625 nan 8.250 nan 0.000 0.507 536 E N -0.067 120.155 120.200 0.036 0.000 2.427 536 E HA 0.203 4.552 4.350 -0.001 0.000 0.196 536 E C 1.026 177.645 176.600 0.032 0.000 1.028 536 E CA 1.419 57.839 56.400 0.032 0.000 0.864 536 E CB 0.172 29.891 29.700 0.032 0.000 0.813 536 E HN 1.472 nan 8.360 nan 0.000 0.514 537 Q N 1.241 121.062 119.800 0.035 0.000 3.712 537 Q HA 0.313 4.652 4.340 -0.001 0.000 0.242 537 Q C -2.862 173.160 176.000 0.037 0.000 0.837 537 Q CA -1.528 54.296 55.803 0.036 0.000 0.826 537 Q CB 0.388 29.151 28.738 0.040 0.000 1.529 537 Q HN 0.144 nan 8.270 nan 0.000 0.405 538 P HA 0.474 nan 4.420 nan 0.000 0.275 538 P C -0.292 177.020 177.300 0.020 0.000 1.228 538 P CA -0.264 62.850 63.100 0.024 0.000 0.786 538 P CB 1.141 32.852 31.700 0.018 0.000 0.927 539 c N 1.891 120.499 118.600 0.012 0.000 2.358 539 c HA 0.286 4.855 4.570 -0.001 0.000 0.342 539 c C 1.402 175.487 174.090 -0.008 0.000 1.234 539 c CA -0.057 56.277 56.329 0.009 0.000 1.969 539 c CB 0.311 42.825 42.510 0.007 0.000 2.346 539 c HN 0.585 nan 8.230 nan 0.000 0.525 540 D N 0.557 120.955 120.400 -0.003 0.000 2.389 540 D HA 0.105 4.744 4.640 -0.001 0.000 0.206 540 D C 0.232 176.515 176.300 -0.028 0.000 1.055 540 D CA 0.789 54.779 54.000 -0.016 0.000 0.856 540 D CB 0.222 41.021 40.800 -0.002 0.000 0.957 540 D HN 0.545 nan 8.370 nan 0.000 0.509 541 N N -0.114 118.579 118.700 -0.010 0.000 2.312 541 N HA 0.255 4.994 4.740 -0.001 0.000 0.296 541 N C -0.715 174.792 175.510 -0.004 0.000 1.193 541 N CA -0.559 52.486 53.050 -0.009 0.000 0.773 541 N CB 2.974 41.479 38.487 0.030 0.000 1.435 541 N HN -0.290 nan 8.380 nan 0.000 0.484 542 V N 3.171 123.078 119.914 -0.011 0.000 2.479 542 V HA 0.146 4.266 4.120 -0.001 0.000 0.281 542 V C -1.596 174.565 176.094 0.112 0.000 1.031 542 V CA -0.756 61.546 62.300 0.003 0.000 1.038 542 V CB 0.206 32.017 31.823 -0.021 0.000 0.981 542 V HN 0.569 nan 8.190 nan 0.000 0.478 543 P HA 0.284 nan 4.420 nan 0.000 0.276 543 P C 0.284 177.737 177.300 0.256 0.000 1.252 543 P CA -0.509 62.720 63.100 0.216 0.000 0.802 543 P CB 1.365 33.205 31.700 0.234 0.000 1.035 544 A N 0.984 123.875 122.820 0.118 0.000 2.119 544 A HA 0.117 4.436 4.320 -0.001 0.000 0.216 544 A C 0.671 178.241 177.584 -0.023 0.000 1.152 544 A CA 1.051 53.116 52.037 0.047 0.000 0.708 544 A CB -0.626 18.379 19.000 0.008 0.000 0.805 544 A HN 0.588 nan 8.150 nan 0.000 0.460 545 T N 0.279 114.823 114.554 -0.016 0.000 2.881 545 T HA 0.359 4.708 4.350 -0.001 0.000 0.290 545 T C -0.399 174.221 174.700 -0.134 0.000 1.000 545 T CA -0.738 61.302 62.100 -0.101 0.000 0.978 545 T CB 1.563 70.407 68.868 -0.040 0.000 0.997 545 T HN 0.207 nan 8.240 nan 0.000 0.443 546 R N 3.591 123.871 120.500 -0.368 0.000 2.458 546 R HA 0.186 4.526 4.340 -0.001 0.000 0.303 546 R C -2.056 174.238 176.300 -0.010 0.000 1.013 546 R CA -1.231 54.666 56.100 -0.337 0.000 1.026 546 R CB -0.313 29.680 30.300 -0.513 0.000 0.948 546 R HN 0.427 nan 8.270 nan 0.000 0.417 547 P HA 0.000 nan 4.420 nan 0.000 0.216 547 P CA 0.000 63.170 63.100 0.117 0.000 0.800 547 P CB 0.000 31.795 31.700 0.159 0.000 0.726