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 1mt5_1_H DATA FIRST_RESID 37 DATA SEQUENCE ARGAATRARQ KQRASLETMD KAVQRFRLQN PDLDSEALLT LPLLQLVQKL DATA SEQUENCE QSGELSPEAV FFTYLGKAWE VNKGTNCVTS YLTDCETQLS QAPRQGLLYG DATA SEQUENCE VPVSLKECFS YKGHDSTLGL SLNEGMPSES DCVVVQVLKL QGAVPFVHTN DATA SEQUENCE VPQSMLSFDC SNPLFGQTMN PWKSSKSPGG SSGGEGALIG SGGSPLGLGT DATA SEQUENCE DIGGSIRFPS AFCGICGLKP TGNRLSKSGL KGCVYGQTAV QLSLGPMARD DATA SEQUENCE VESLALCLKA LLCEHLFTLD PTVPPLPFRE EVYRSSRPLR VGYYETDNYT DATA SEQUENCE MPSPAMRRAL IETKQRLEAA GHTLIPFLPN NIPYALEVLS AGGLFSDGGR DATA SEQUENCE SFLQNFKGDF VDPCLGDLIL ILRLPSWFKR LLSLLLKPLF PRLAAFLNSM DATA SEQUENCE RPRSAEKLWK LQHEIEMYRQ SVIAQWKAMN LDVLLTPMLG PALDLNTPGR DATA SEQUENCE ATGAISYTVL YNCLDFPAGV VPVTTVTAED DAQMELYKGY FGDIWDIILK DATA SEQUENCE KAMKNSVGLP VAVQCVALPW QEELCLRFMR EVEQLMT 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 A HA 0.000 nan 4.320 nan 0.000 0.244 37 A C 0.000 177.581 177.584 -0.006 0.000 1.274 37 A CA 0.000 52.029 52.037 -0.014 0.000 0.836 37 A CB 0.000 18.981 19.000 -0.032 0.000 0.831 38 R N 0.810 121.315 120.500 0.007 0.000 2.472 38 R HA 0.540 4.880 4.340 0.001 0.000 0.279 38 R C 1.354 177.798 176.300 0.239 0.000 0.953 38 R CA 1.049 57.192 56.100 0.072 0.000 1.088 38 R CB -0.772 29.524 30.300 -0.006 0.000 1.197 38 R HN 1.206 nan 8.270 nan 0.000 0.536 39 G N -0.154 108.752 108.800 0.176 0.000 3.374 39 G HA2 0.371 4.331 3.960 0.001 0.000 0.252 39 G HA3 0.371 4.331 3.960 0.001 0.000 0.252 39 G C 0.780 175.708 174.900 0.047 0.000 1.326 39 G CA 0.574 45.749 45.100 0.125 0.000 1.133 39 G HN 0.694 nan 8.290 nan 0.000 0.528 40 A N 0.017 122.855 122.820 0.029 0.000 2.684 40 A HA 0.693 5.014 4.320 0.001 0.000 0.288 40 A C 1.874 179.432 177.584 -0.045 0.000 1.337 40 A CA 0.576 52.609 52.037 -0.006 0.000 0.946 40 A CB 0.050 19.045 19.000 -0.008 0.000 1.093 40 A HN 0.447 nan 8.150 nan 0.000 0.543 41 A N -0.225 122.565 122.820 -0.051 0.000 2.067 41 A HA 0.022 4.342 4.320 0.001 0.000 0.217 41 A C 2.250 179.771 177.584 -0.106 0.000 1.156 41 A CA 1.867 53.828 52.037 -0.128 0.000 0.683 41 A CB -0.774 18.144 19.000 -0.137 0.000 0.808 41 A HN 0.639 nan 8.150 nan 0.000 0.455 42 T N -2.037 112.485 114.554 -0.053 0.000 2.867 42 T HA -0.126 4.224 4.350 0.001 0.000 0.268 42 T C 1.902 176.593 174.700 -0.016 0.000 1.057 42 T CA 1.295 63.378 62.100 -0.029 0.000 1.136 42 T CB -0.274 68.587 68.868 -0.011 0.000 0.874 42 T HN 0.422 nan 8.240 nan 0.000 0.466 43 R N 0.901 121.390 120.500 -0.019 0.000 2.237 43 R HA 0.250 4.590 4.340 0.001 0.000 0.219 43 R C 2.309 178.607 176.300 -0.003 0.000 1.080 43 R CA 0.922 57.018 56.100 -0.005 0.000 0.995 43 R CB -0.307 29.990 30.300 -0.006 0.000 0.875 43 R HN 0.545 nan 8.270 nan 0.000 0.462 44 A N -0.735 122.053 122.820 -0.054 0.000 2.085 44 A HA 0.099 4.419 4.320 0.001 0.000 0.208 44 A C 1.888 179.496 177.584 0.040 0.000 1.191 44 A CA 0.031 52.026 52.037 -0.070 0.000 0.799 44 A CB 0.028 18.782 19.000 -0.410 0.000 0.877 44 A HN 0.157 nan 8.150 nan 0.000 0.473 45 R N 0.208 120.708 120.500 -0.000 0.000 2.092 45 R HA -0.178 4.162 4.340 0.001 0.000 0.231 45 R C 2.405 178.762 176.300 0.095 0.000 1.119 45 R CA 1.828 57.968 56.100 0.067 0.000 0.970 45 R CB -0.149 30.160 30.300 0.016 0.000 0.864 45 R HN 0.772 nan 8.270 nan 0.000 0.440 46 Q N -0.030 119.812 119.800 0.070 0.000 2.172 46 Q HA -0.115 4.225 4.340 0.001 0.000 0.200 46 Q C 1.645 177.704 176.000 0.100 0.000 0.964 46 Q CA 1.430 57.277 55.803 0.074 0.000 0.855 46 Q CB -0.075 28.694 28.738 0.051 0.000 0.918 46 Q HN 0.084 nan 8.270 nan 0.000 0.444 47 K N 0.181 120.656 120.400 0.124 0.000 2.103 47 K HA -0.137 4.183 4.320 0.001 0.000 0.204 47 K C 2.254 178.962 176.600 0.180 0.000 1.052 47 K CA 1.297 57.674 56.287 0.149 0.000 0.945 47 K CB 0.035 32.638 32.500 0.171 0.000 0.722 47 K HN 0.439 nan 8.250 nan 0.000 0.443 48 Q N 0.196 120.130 119.800 0.222 0.000 2.083 48 Q HA -0.184 4.156 4.340 0.001 0.000 0.198 48 Q C 2.213 178.295 176.000 0.137 0.000 0.969 48 Q CA 1.624 57.539 55.803 0.186 0.000 0.838 48 Q CB 0.046 28.934 28.738 0.250 0.000 0.900 48 Q HN 0.220 nan 8.270 nan 0.000 0.436 49 R N 0.233 120.810 120.500 0.128 0.000 2.115 49 R HA 0.065 4.405 4.340 0.001 0.000 0.230 49 R C 2.103 178.475 176.300 0.119 0.000 1.111 49 R CA 1.436 57.603 56.100 0.111 0.000 0.976 49 R CB -1.330 29.023 30.300 0.090 0.000 0.870 49 R HN 0.506 nan 8.270 nan 0.000 0.445 50 A N -0.213 122.678 122.820 0.118 0.000 1.873 50 A HA -0.053 4.267 4.320 0.001 0.000 0.215 50 A C 2.560 180.227 177.584 0.137 0.000 1.186 50 A CA 1.809 53.915 52.037 0.115 0.000 0.616 50 A CB -0.584 18.479 19.000 0.104 0.000 0.823 50 A HN 0.479 nan 8.150 nan 0.000 0.442 51 S N -1.001 114.795 115.700 0.161 0.000 2.428 51 S HA -0.008 4.462 4.470 0.001 0.000 0.230 51 S C 1.701 176.411 174.600 0.183 0.000 1.014 51 S CA 0.918 59.239 58.200 0.203 0.000 0.957 51 S CB -0.289 63.050 63.200 0.232 0.000 0.784 51 S HN 0.377 nan 8.310 nan 0.000 0.499 52 L N 1.625 122.958 121.223 0.183 0.000 2.240 52 L HA 0.074 4.415 4.340 0.001 0.000 0.211 52 L C 2.651 179.730 176.870 0.349 0.000 1.106 52 L CA 1.824 56.825 54.840 0.268 0.000 0.793 52 L CB -0.702 41.478 42.059 0.202 0.000 0.927 52 L HN 0.417 nan 8.230 nan 0.000 0.446 53 E N -1.425 118.900 120.200 0.208 0.000 2.122 53 E HA -0.113 4.237 4.350 0.001 0.000 0.190 53 E C 2.071 178.691 176.600 0.033 0.000 0.977 53 E CA 1.317 57.797 56.400 0.133 0.000 0.820 53 E CB -1.191 28.576 29.700 0.111 0.000 0.770 53 E HN 0.505 nan 8.360 nan 0.000 0.462 54 T N 0.633 115.216 114.554 0.049 0.000 2.881 54 T HA -0.076 4.274 4.350 0.001 0.000 0.270 54 T C 2.166 176.796 174.700 -0.118 0.000 1.068 54 T CA 1.457 63.566 62.100 0.015 0.000 1.131 54 T CB -0.249 68.684 68.868 0.109 0.000 0.871 54 T HN 0.372 nan 8.240 nan 0.000 0.479 55 M N 1.018 120.505 119.600 -0.188 0.000 2.077 55 M HA -0.062 4.419 4.480 0.001 0.000 0.261 55 M C 2.333 178.447 176.300 -0.309 0.000 1.070 55 M CA 1.782 56.897 55.300 -0.308 0.000 1.125 55 M CB -0.398 32.119 32.600 -0.139 0.000 1.339 55 M HN 0.168 nan 8.290 nan 0.000 0.409 56 D N 0.569 120.696 120.400 -0.454 0.000 2.104 56 D HA -0.176 4.465 4.640 0.001 0.000 0.194 56 D C 2.128 178.175 176.300 -0.421 0.000 0.994 56 D CA 2.573 56.096 54.000 -0.796 0.000 0.830 56 D CB 0.114 40.364 40.800 -0.917 0.000 0.959 56 D HN 0.206 nan 8.370 nan 0.000 0.452 57 K N 0.142 120.403 120.400 -0.232 0.000 2.097 57 K HA 0.143 4.464 4.320 0.001 0.000 0.206 57 K C 2.126 178.662 176.600 -0.105 0.000 1.049 57 K CA 1.586 57.791 56.287 -0.137 0.000 0.933 57 K CB -1.050 31.408 32.500 -0.070 0.000 0.717 57 K HN 0.340 nan 8.250 nan 0.000 0.442 58 A N 0.718 123.490 122.820 -0.080 0.000 2.178 58 A HA 0.255 4.575 4.320 0.001 0.000 0.211 58 A C 2.338 179.927 177.584 0.007 0.000 1.157 58 A CA 1.268 53.303 52.037 -0.005 0.000 0.780 58 A CB -0.276 18.805 19.000 0.134 0.000 0.828 58 A HN 0.847 nan 8.150 nan 0.000 0.476 59 V N -3.198 116.685 119.914 -0.052 0.000 3.052 59 V HA -0.050 4.070 4.120 0.001 0.000 0.254 59 V C 1.961 178.020 176.094 -0.059 0.000 1.100 59 V CA 1.721 64.012 62.300 -0.015 0.000 1.112 59 V CB -0.587 31.198 31.823 -0.065 0.000 0.738 59 V HN 0.417 nan 8.190 nan 0.000 0.469 60 Q N 0.824 120.545 119.800 -0.133 0.000 2.123 60 Q HA 0.009 4.349 4.340 0.001 0.000 0.199 60 Q C 2.577 178.519 176.000 -0.098 0.000 0.966 60 Q CA 2.532 58.264 55.803 -0.120 0.000 0.845 60 Q CB -0.301 28.349 28.738 -0.147 0.000 0.907 60 Q HN 0.762 nan 8.270 nan 0.000 0.439 61 R N -0.182 120.258 120.500 -0.100 0.000 2.092 61 R HA -0.136 4.205 4.340 0.001 0.000 0.231 61 R C 1.806 178.028 176.300 -0.130 0.000 1.119 61 R CA 1.592 57.626 56.100 -0.109 0.000 0.970 61 R CB -1.586 28.653 30.300 -0.102 0.000 0.864 61 R HN 0.433 nan 8.270 nan 0.000 0.440 62 F N 1.464 121.222 119.950 -0.320 0.000 2.163 62 F HA -0.027 4.500 4.527 0.000 0.000 0.297 62 F C 3.004 178.696 175.800 -0.180 0.000 1.094 62 F CA 2.244 60.045 58.000 -0.331 0.000 1.290 62 F CB -0.279 38.412 39.000 -0.515 0.000 1.017 62 F HN 0.336 nan 8.300 nan 0.000 0.483 63 R N 0.689 121.151 120.500 -0.065 0.000 2.115 63 R HA 0.023 4.364 4.340 0.001 0.000 0.230 63 R C 2.248 178.447 176.300 -0.168 0.000 1.111 63 R CA 1.705 57.740 56.100 -0.108 0.000 0.976 63 R CB -2.139 28.142 30.300 -0.033 0.000 0.870 63 R HN 0.447 nan 8.270 nan 0.000 0.445 64 L N -0.595 120.533 121.223 -0.157 0.000 1.973 64 L HA 0.062 4.403 4.340 0.001 0.000 0.208 64 L C 2.910 179.663 176.870 -0.195 0.000 1.073 64 L CA 2.875 57.627 54.840 -0.148 0.000 0.746 64 L CB -1.920 40.069 42.059 -0.117 0.000 0.891 64 L HN 0.670 nan 8.230 nan 0.000 0.433 65 Q N -0.587 119.065 119.800 -0.247 0.000 2.515 65 Q HA 0.077 4.418 4.340 0.001 0.000 0.212 65 Q C 0.809 176.580 176.000 -0.382 0.000 0.970 65 Q CA 1.116 56.759 55.803 -0.266 0.000 0.941 65 Q CB -0.829 27.774 28.738 -0.226 0.000 0.998 65 Q HN 0.930 nan 8.270 nan 0.000 0.518 66 N N -0.157 118.238 118.700 -0.509 0.000 2.722 66 N HA 0.220 4.960 4.740 0.001 0.000 0.242 66 N C -2.339 172.977 175.510 -0.324 0.000 1.398 66 N CA -0.892 51.846 53.050 -0.521 0.000 0.755 66 N CB 2.138 40.016 38.487 -1.016 0.000 1.268 66 N HN 0.138 nan 8.380 nan 0.000 0.522 67 P HA 0.046 nan 4.420 nan 0.000 0.226 67 P C 0.752 178.000 177.300 -0.087 0.000 1.161 67 P CA 0.942 63.967 63.100 -0.126 0.000 0.804 67 P CB 0.194 31.833 31.700 -0.101 0.000 0.829 68 D N 0.347 120.697 120.400 -0.082 0.000 2.317 68 D HA 0.194 4.835 4.640 0.001 0.000 0.211 68 D C 1.259 177.541 176.300 -0.031 0.000 0.966 68 D CA 0.683 54.653 54.000 -0.050 0.000 0.876 68 D CB -0.812 39.962 40.800 -0.044 0.000 0.927 68 D HN 0.295 nan 8.370 nan 0.000 0.519 69 L N 1.097 122.302 121.223 -0.030 0.000 2.361 69 L HA 0.525 4.866 4.340 0.001 0.000 0.278 69 L C 0.389 177.267 176.870 0.013 0.000 1.113 69 L CA -0.472 54.374 54.840 0.010 0.000 0.849 69 L CB 0.391 42.484 42.059 0.057 0.000 1.155 69 L HN 0.211 nan 8.230 nan 0.000 0.452 70 D N 2.498 122.904 120.400 0.010 0.000 2.346 70 D HA 0.188 4.828 4.640 0.001 0.000 0.260 70 D C 1.318 177.616 176.300 -0.003 0.000 1.252 70 D CA 0.753 54.753 54.000 -0.001 0.000 0.895 70 D CB 1.350 42.148 40.800 -0.004 0.000 1.097 70 D HN 0.624 nan 8.370 nan 0.000 0.489 71 S N 3.183 118.876 115.700 -0.012 0.000 2.356 71 S HA -0.177 4.293 4.470 0.001 0.000 0.223 71 S C 1.832 176.390 174.600 -0.070 0.000 1.032 71 S CA 1.646 59.821 58.200 -0.041 0.000 1.005 71 S CB -0.085 63.092 63.200 -0.038 0.000 0.867 71 S HN 0.750 nan 8.310 nan 0.000 0.449 72 E N -0.102 120.068 120.200 -0.049 0.000 2.485 72 E HA 0.488 4.839 4.350 0.001 0.000 0.194 72 E C 1.183 177.758 176.600 -0.041 0.000 1.098 72 E CA 0.781 57.151 56.400 -0.051 0.000 0.878 72 E CB -0.630 29.048 29.700 -0.036 0.000 0.939 72 E HN 0.576 nan 8.360 nan 0.000 0.503 73 A N -0.502 122.296 122.820 -0.037 0.000 2.340 73 A HA 0.405 4.725 4.320 0.001 0.000 0.213 73 A C 1.955 179.526 177.584 -0.021 0.000 1.299 73 A CA 0.693 52.717 52.037 -0.022 0.000 0.994 73 A CB 0.130 19.124 19.000 -0.010 0.000 1.132 73 A HN 0.720 nan 8.150 nan 0.000 0.519 74 L N -1.885 119.315 121.223 -0.039 0.000 2.307 74 L HA 0.340 4.681 4.340 0.001 0.000 0.211 74 L C 1.726 178.544 176.870 -0.088 0.000 1.099 74 L CA 1.270 56.087 54.840 -0.038 0.000 0.816 74 L CB -0.633 41.410 42.059 -0.026 0.000 0.952 74 L HN 0.172 nan 8.230 nan 0.000 0.455 75 L N 0.530 121.646 121.223 -0.178 0.000 2.072 75 L HA -0.071 4.270 4.340 0.001 0.000 0.205 75 L C 2.363 179.192 176.870 -0.069 0.000 1.079 75 L CA 1.660 56.337 54.840 -0.271 0.000 0.752 75 L CB -0.932 40.936 42.059 -0.318 0.000 0.906 75 L HN 0.545 nan 8.230 nan 0.000 0.436 76 T N -2.169 112.361 114.554 -0.040 0.000 3.194 76 T HA 0.078 4.428 4.350 0.001 0.000 0.251 76 T C 0.491 175.206 174.700 0.025 0.000 1.132 76 T CA -0.186 61.914 62.100 0.000 0.000 1.028 76 T CB -0.297 68.566 68.868 -0.009 0.000 0.976 76 T HN -0.097 nan 8.240 nan 0.000 0.535 77 L N 3.338 124.581 121.223 0.033 0.000 2.361 77 L HA 0.400 4.740 4.340 0.001 0.000 0.278 77 L C -2.213 174.696 176.870 0.066 0.000 1.113 77 L CA -2.235 52.632 54.840 0.046 0.000 0.849 77 L CB 0.461 42.548 42.059 0.047 0.000 1.155 77 L HN -0.008 nan 8.230 nan 0.000 0.452 78 P HA -0.031 nan 4.420 nan 0.000 0.268 78 P C 0.660 177.987 177.300 0.046 0.000 1.208 78 P CA -0.331 62.799 63.100 0.050 0.000 0.777 78 P CB 0.573 32.298 31.700 0.042 0.000 0.875 79 L N 2.919 124.162 121.223 0.034 0.000 2.079 79 L HA -0.182 4.158 4.340 0.001 0.000 0.210 79 L C 1.753 178.632 176.870 0.016 0.000 1.081 79 L CA 1.951 56.800 54.840 0.015 0.000 0.752 79 L CB -0.894 41.158 42.059 -0.012 0.000 0.896 79 L HN 0.262 nan 8.230 nan 0.000 0.433 80 L N -0.911 120.325 121.223 0.022 0.000 2.017 80 L HA -0.217 4.124 4.340 0.001 0.000 0.208 80 L C 2.547 179.435 176.870 0.030 0.000 1.073 80 L CA 1.738 56.593 54.840 0.025 0.000 0.745 80 L CB -1.899 40.179 42.059 0.032 0.000 0.894 80 L HN 0.448 nan 8.230 nan 0.000 0.432 81 Q N -0.403 119.417 119.800 0.034 0.000 2.050 81 Q HA -0.194 4.146 4.340 0.001 0.000 0.202 81 Q C 2.304 178.328 176.000 0.040 0.000 0.980 81 Q CA 1.105 56.929 55.803 0.036 0.000 0.840 81 Q CB -0.274 28.485 28.738 0.035 0.000 0.898 81 Q HN 0.303 nan 8.270 nan 0.000 0.424 82 L N 0.315 121.564 121.223 0.044 0.000 2.450 82 L HA -0.137 4.203 4.340 0.001 0.000 0.224 82 L C 1.753 178.645 176.870 0.037 0.000 1.149 82 L CA 0.729 55.599 54.840 0.048 0.000 0.816 82 L CB 0.128 42.228 42.059 0.069 0.000 0.932 82 L HN 0.009 nan 8.230 nan 0.000 0.449 83 V N -0.422 119.512 119.914 0.034 0.000 2.426 83 V HA -0.188 3.932 4.120 0.001 0.000 0.242 83 V C 2.345 178.476 176.094 0.061 0.000 1.036 83 V CA 1.594 63.918 62.300 0.040 0.000 1.044 83 V CB -0.135 31.703 31.823 0.025 0.000 0.688 83 V HN 0.691 nan 8.190 nan 0.000 0.462 84 Q N -0.201 119.629 119.800 0.050 0.000 2.187 84 Q HA -0.123 4.218 4.340 0.001 0.000 0.199 84 Q C 2.050 178.083 176.000 0.055 0.000 0.957 84 Q CA 1.198 57.031 55.803 0.050 0.000 0.857 84 Q CB -0.340 28.421 28.738 0.038 0.000 0.929 84 Q HN 0.428 nan 8.270 nan 0.000 0.453 85 K N 0.170 120.603 120.400 0.054 0.000 2.147 85 K HA -0.055 4.265 4.320 0.001 0.000 0.205 85 K C 1.914 178.561 176.600 0.077 0.000 1.049 85 K CA 0.692 57.014 56.287 0.057 0.000 0.936 85 K CB 0.034 32.565 32.500 0.051 0.000 0.722 85 K HN 0.221 nan 8.250 nan 0.000 0.446 86 L N 0.871 122.151 121.223 0.094 0.000 2.156 86 L HA -0.133 4.207 4.340 0.001 0.000 0.208 86 L C 2.235 179.233 176.870 0.213 0.000 1.095 86 L CA 1.644 56.576 54.840 0.153 0.000 0.770 86 L CB -0.626 41.516 42.059 0.137 0.000 0.914 86 L HN 0.179 nan 8.230 nan 0.000 0.439 87 Q N -0.396 119.489 119.800 0.142 0.000 2.212 87 Q HA -0.072 4.268 4.340 0.001 0.000 0.199 87 Q C 2.213 178.239 176.000 0.043 0.000 0.950 87 Q CA 1.387 57.241 55.803 0.085 0.000 0.863 87 Q CB 0.036 28.809 28.738 0.057 0.000 0.944 87 Q HN 0.505 nan 8.270 nan 0.000 0.465 88 S N -1.828 113.902 115.700 0.051 0.000 2.593 88 S HA 0.260 4.731 4.470 0.001 0.000 0.217 88 S C 1.268 175.893 174.600 0.042 0.000 0.966 88 S CA 0.402 58.623 58.200 0.036 0.000 0.914 88 S CB 0.064 63.284 63.200 0.033 0.000 0.776 88 S HN 0.526 nan 8.310 nan 0.000 0.523 89 G N 1.077 109.915 108.800 0.064 0.000 2.153 89 G HA2 -0.332 3.628 3.960 0.001 0.000 0.252 89 G HA3 -0.332 3.628 3.960 0.001 0.000 0.252 89 G C 0.455 175.394 174.900 0.065 0.000 0.994 89 G CA 0.560 45.702 45.100 0.070 0.000 0.698 89 G HN 0.569 nan 8.290 nan 0.000 0.521 90 E N -0.900 119.336 120.200 0.061 0.000 2.028 90 E HA 0.108 4.458 4.350 0.001 0.000 0.191 90 E C 1.135 177.773 176.600 0.064 0.000 0.988 90 E CA 0.694 57.127 56.400 0.054 0.000 0.799 90 E CB -0.001 29.727 29.700 0.047 0.000 0.755 90 E HN 0.599 nan 8.360 nan 0.000 0.447 91 L N 0.778 122.045 121.223 0.073 0.000 2.334 91 L HA 0.257 4.597 4.340 0.001 0.000 0.276 91 L C 0.072 176.996 176.870 0.091 0.000 1.014 91 L CA -0.932 53.956 54.840 0.080 0.000 0.815 91 L CB 1.831 43.931 42.059 0.068 0.000 1.268 91 L HN 0.038 nan 8.230 nan 0.000 0.428 92 S N 1.582 117.343 115.700 0.101 0.000 2.603 92 S HA 0.320 4.790 4.470 0.001 0.000 0.268 92 S C -1.933 172.696 174.600 0.047 0.000 1.317 92 S CA -1.050 57.211 58.200 0.102 0.000 1.012 92 S CB 1.134 64.411 63.200 0.129 0.000 0.926 92 S HN 0.407 nan 8.310 nan 0.000 0.539 93 P HA -0.118 nan 4.420 nan 0.000 0.216 93 P C 0.945 178.215 177.300 -0.050 0.000 1.150 93 P CA 1.404 64.432 63.100 -0.119 0.000 0.843 93 P CB -0.035 31.560 31.700 -0.175 0.000 0.787 94 E N -0.537 119.685 120.200 0.037 0.000 2.150 94 E HA -0.093 4.257 4.350 0.001 0.000 0.193 94 E C 2.114 178.703 176.600 -0.019 0.000 0.985 94 E CA 1.308 57.779 56.400 0.120 0.000 0.814 94 E CB -0.983 28.870 29.700 0.254 0.000 0.752 94 E HN 0.167 nan 8.360 nan 0.000 0.466 95 A N 0.814 123.677 122.820 0.072 0.000 1.858 95 A HA -0.158 4.162 4.320 0.001 0.000 0.216 95 A C 2.485 180.058 177.584 -0.018 0.000 1.190 95 A CA 1.875 53.976 52.037 0.108 0.000 0.617 95 A CB -0.948 18.172 19.000 0.201 0.000 0.827 95 A HN 0.258 nan 8.150 nan 0.000 0.443 96 V N -3.509 116.404 119.914 -0.002 0.000 2.719 96 V HA -0.049 4.071 4.120 0.001 0.000 0.252 96 V C 2.173 178.248 176.094 -0.031 0.000 1.065 96 V CA 1.741 64.047 62.300 0.010 0.000 1.086 96 V CB -1.010 30.846 31.823 0.054 0.000 0.700 96 V HN 0.416 nan 8.190 nan 0.000 0.467 97 F N 1.323 121.105 119.950 -0.279 0.000 2.084 97 F HA 0.023 4.551 4.527 0.001 0.000 0.296 97 F C 1.942 177.434 175.800 -0.512 0.000 1.111 97 F CA 2.021 59.733 58.000 -0.480 0.000 1.224 97 F CB -0.239 38.367 39.000 -0.658 0.000 0.991 97 F HN 0.154 nan 8.300 nan 0.000 0.471 98 F N -0.023 119.711 119.950 -0.360 0.000 2.512 98 F HA -0.059 4.468 4.527 0.000 0.000 0.296 98 F C 2.312 177.907 175.800 -0.341 0.000 1.110 98 F CA 1.141 58.880 58.000 -0.434 0.000 1.446 98 F CB -0.824 37.800 39.000 -0.628 0.000 1.092 98 F HN -0.109 nan 8.300 nan 0.000 0.554 99 T N -1.007 113.456 114.554 -0.151 0.000 2.737 99 T HA -0.211 4.139 4.350 0.001 0.000 0.265 99 T C 1.594 176.138 174.700 -0.260 0.000 1.038 99 T CA 1.435 63.446 62.100 -0.147 0.000 1.144 99 T CB -0.535 68.237 68.868 -0.159 0.000 0.866 99 T HN 0.151 nan 8.240 nan 0.000 0.434 100 Y N 1.030 121.150 120.300 -0.301 0.000 2.200 100 Y HA 0.077 4.627 4.550 0.001 0.000 0.290 100 Y C 2.310 178.001 175.900 -0.349 0.000 1.137 100 Y CA 0.373 58.258 58.100 -0.357 0.000 1.163 100 Y CB -0.492 37.642 38.460 -0.544 0.000 0.988 100 Y HN 0.092 nan 8.280 nan 0.000 0.518 101 L N -0.852 120.126 121.223 -0.407 0.000 2.127 101 L HA -0.212 4.129 4.340 0.001 0.000 0.211 101 L C 2.315 179.170 176.870 -0.025 0.000 1.089 101 L CA 1.724 56.406 54.840 -0.264 0.000 0.757 101 L CB -1.060 40.661 42.059 -0.563 0.000 0.899 101 L HN 0.409 nan 8.230 nan 0.000 0.434 102 G N -0.283 108.495 108.800 -0.036 0.000 2.421 102 G HA2 -0.324 3.636 3.960 0.001 0.000 0.216 102 G HA3 -0.324 3.636 3.960 0.001 0.000 0.216 102 G C 1.636 176.598 174.900 0.104 0.000 1.171 102 G CA 0.806 45.931 45.100 0.041 0.000 0.775 102 G HN 0.194 nan 8.290 nan 0.000 0.543 103 K N 1.030 121.448 120.400 0.031 0.000 2.155 103 K HA 0.234 4.554 4.320 0.001 0.000 0.203 103 K C 2.670 179.336 176.600 0.110 0.000 1.052 103 K CA 1.283 57.596 56.287 0.042 0.000 0.948 103 K CB -0.618 31.852 32.500 -0.051 0.000 0.728 103 K HN 0.169 nan 8.250 nan 0.000 0.448 104 A N -0.290 122.631 122.820 0.169 0.000 1.883 104 A HA -0.193 4.128 4.320 0.001 0.000 0.217 104 A C 2.162 179.837 177.584 0.152 0.000 1.186 104 A CA 1.677 53.829 52.037 0.191 0.000 0.624 104 A CB -1.212 17.982 19.000 0.322 0.000 0.822 104 A HN 0.626 nan 8.150 nan 0.000 0.444 105 W N 0.439 121.747 121.300 0.014 0.000 2.358 105 W HA -0.157 4.503 4.660 0.001 0.000 0.303 105 W C 2.182 178.697 176.519 -0.007 0.000 1.208 105 W CA 2.034 59.376 57.345 -0.005 0.000 1.274 105 W CB -0.129 29.321 29.460 -0.018 0.000 1.138 105 W HN 0.479 nan 8.180 nan 0.000 0.515 106 E N -0.514 119.814 120.200 0.213 0.000 2.051 106 E HA -0.236 4.115 4.350 0.001 0.000 0.192 106 E C 2.176 178.739 176.600 -0.063 0.000 0.991 106 E CA 2.432 58.882 56.400 0.084 0.000 0.799 106 E CB -0.422 29.353 29.700 0.125 0.000 0.748 106 E HN 0.251 nan 8.360 nan 0.000 0.449 107 V N -0.618 119.273 119.914 -0.039 0.000 2.809 107 V HA -0.092 4.028 4.120 0.001 0.000 0.256 107 V C 1.729 177.765 176.094 -0.097 0.000 1.080 107 V CA 1.809 64.075 62.300 -0.058 0.000 1.102 107 V CB -0.555 31.254 31.823 -0.023 0.000 0.705 107 V HN 0.138 nan 8.190 nan 0.000 0.475 108 N N 0.877 119.488 118.700 -0.149 0.000 2.381 108 N HA -0.147 4.593 4.740 0.001 0.000 0.182 108 N C 1.666 177.038 175.510 -0.229 0.000 1.025 108 N CA 1.221 54.157 53.050 -0.190 0.000 0.888 108 N CB -0.288 38.054 38.487 -0.241 0.000 0.965 108 N HN 0.536 nan 8.380 nan 0.000 0.438 109 K N -0.725 119.506 120.400 -0.282 0.000 2.032 109 K HA 0.001 4.322 4.320 0.001 0.000 0.209 109 K C 1.644 178.162 176.600 -0.136 0.000 1.048 109 K CA 1.580 57.723 56.287 -0.239 0.000 0.927 109 K CB -0.536 31.820 32.500 -0.240 0.000 0.712 109 K HN 0.268 nan 8.250 nan 0.000 0.441 110 G N -1.832 106.906 108.800 -0.104 0.000 3.042 110 G HA2 -0.050 3.911 3.960 0.001 0.000 0.212 110 G HA3 -0.050 3.911 3.960 0.001 0.000 0.212 110 G C 1.000 175.873 174.900 -0.045 0.000 1.166 110 G CA 0.873 45.934 45.100 -0.065 0.000 0.767 110 G HN 0.475 nan 8.290 nan 0.000 0.546 111 T N -3.364 111.158 114.554 -0.053 0.000 3.057 111 T HA 0.128 4.479 4.350 0.001 0.000 0.254 111 T C 0.819 175.502 174.700 -0.028 0.000 0.965 111 T CA 0.463 62.547 62.100 -0.026 0.000 0.978 111 T CB -0.076 68.782 68.868 -0.016 0.000 1.169 111 T HN 0.186 nan 8.240 nan 0.000 0.489 112 N N 0.943 119.611 118.700 -0.054 0.000 2.681 112 N HA -0.185 4.555 4.740 0.001 0.000 0.259 112 N C 0.592 176.077 175.510 -0.042 0.000 1.066 112 N CA 0.610 53.630 53.050 -0.050 0.000 0.717 112 N CB -1.709 36.764 38.487 -0.024 0.000 0.885 112 N HN 0.822 nan 8.380 nan 0.000 0.547 113 C N -2.345 116.921 119.300 -0.057 0.000 2.912 113 C HA 0.534 4.994 4.460 0.001 0.000 0.274 113 C C 0.888 175.819 174.990 -0.098 0.000 1.248 113 C CA -0.485 58.500 59.018 -0.056 0.000 1.694 113 C CB -0.723 26.997 27.740 -0.033 0.000 2.024 113 C HN 0.274 nan 8.230 nan 0.000 0.605 114 V N 2.450 122.293 119.914 -0.118 0.000 2.370 114 V HA 0.295 4.415 4.120 0.001 0.000 0.279 114 V C 1.055 177.022 176.094 -0.211 0.000 1.029 114 V CA 0.567 62.780 62.300 -0.145 0.000 0.870 114 V CB 1.427 33.188 31.823 -0.103 0.000 0.984 114 V HN 0.505 nan 8.190 nan 0.000 0.451 115 T N 2.830 117.213 114.554 -0.286 0.000 2.866 115 T HA 0.078 4.428 4.350 0.001 0.000 0.250 115 T C 0.638 175.172 174.700 -0.277 0.000 1.033 115 T CA 1.149 62.926 62.100 -0.539 0.000 1.145 115 T CB 0.241 68.759 68.868 -0.583 0.000 0.866 115 T HN 0.775 nan 8.240 nan 0.000 0.434 116 S N -0.321 115.317 115.700 -0.102 0.000 2.550 116 S HA 0.522 4.992 4.470 0.001 0.000 0.270 116 S C -1.543 173.055 174.600 -0.003 0.000 1.145 116 S CA -1.011 57.206 58.200 0.028 0.000 0.852 116 S CB 1.106 64.399 63.200 0.155 0.000 1.119 116 S HN 0.356 nan 8.310 nan 0.000 0.465 117 Y N 3.068 123.347 120.300 -0.035 0.000 2.350 117 Y HA 0.548 5.098 4.550 0.001 0.000 0.340 117 Y C -0.339 175.492 175.900 -0.115 0.000 1.006 117 Y CA -0.833 57.228 58.100 -0.066 0.000 1.166 117 Y CB 0.639 39.133 38.460 0.057 0.000 1.168 117 Y HN 0.695 nan 8.280 nan 0.000 0.502 118 L N 7.642 128.367 121.223 -0.828 0.000 2.384 118 L HA 0.041 4.381 4.340 0.001 0.000 0.258 118 L C 1.727 178.174 176.870 -0.705 0.000 1.266 118 L CA 0.153 54.350 54.840 -1.071 0.000 1.162 118 L CB -0.215 40.902 42.059 -1.571 0.000 1.375 118 L HN 0.891 nan 8.230 nan 0.000 0.420 119 T N -1.308 113.069 114.554 -0.295 0.000 2.737 119 T HA -0.236 4.115 4.350 0.001 0.000 0.269 119 T C 1.197 175.817 174.700 -0.133 0.000 1.040 119 T CA 1.569 63.517 62.100 -0.253 0.000 1.142 119 T CB -0.203 68.745 68.868 0.134 0.000 0.861 119 T HN 0.704 nan 8.240 nan 0.000 0.456 120 D N 1.772 122.167 120.400 -0.009 0.000 2.663 120 D HA 0.065 4.705 4.640 0.001 0.000 0.243 120 D C 0.829 177.117 176.300 -0.021 0.000 1.218 120 D CA -0.195 53.821 54.000 0.027 0.000 0.846 120 D CB -1.382 39.465 40.800 0.078 0.000 1.014 120 D HN 0.629 nan 8.370 nan 0.000 0.476 121 C N -0.525 118.707 119.300 -0.114 0.000 2.711 121 C HA 0.221 4.682 4.460 0.001 0.000 0.306 121 C C 1.654 176.539 174.990 -0.176 0.000 1.479 121 C CA -0.516 58.379 59.018 -0.205 0.000 2.271 121 C CB -0.024 27.525 27.740 -0.319 0.000 2.155 121 C HN 0.556 nan 8.230 nan 0.000 0.674 122 E N -1.215 118.782 120.200 -0.338 0.000 5.171 122 E HA -0.302 4.048 4.350 0.001 0.000 0.184 122 E C 1.447 177.995 176.600 -0.087 0.000 1.101 122 E CA 2.162 58.466 56.400 -0.159 0.000 2.026 122 E CB -1.753 27.971 29.700 0.040 0.000 1.810 122 E HN 0.992 nan 8.360 nan 0.000 0.414 123 T N -2.053 112.461 114.554 -0.067 0.000 3.035 123 T HA 0.007 4.357 4.350 0.001 0.000 0.259 123 T C 1.636 176.298 174.700 -0.064 0.000 1.078 123 T CA 1.187 63.261 62.100 -0.044 0.000 1.132 123 T CB 0.098 68.956 68.868 -0.017 0.000 0.900 123 T HN 0.043 nan 8.240 nan 0.000 0.480 124 Q N 0.723 120.464 119.800 -0.099 0.000 2.435 124 Q HA 0.294 4.635 4.340 0.001 0.000 0.207 124 Q C 1.812 177.729 176.000 -0.138 0.000 0.956 124 Q CA 0.749 56.493 55.803 -0.098 0.000 0.917 124 Q CB -0.700 27.988 28.738 -0.084 0.000 0.997 124 Q HN 0.608 nan 8.270 nan 0.000 0.497 125 L N -1.062 120.041 121.223 -0.200 0.000 2.270 125 L HA 0.010 4.350 4.340 0.001 0.000 0.210 125 L C 2.104 178.930 176.870 -0.073 0.000 1.104 125 L CA 0.712 55.438 54.840 -0.190 0.000 0.804 125 L CB -0.181 41.706 42.059 -0.287 0.000 0.937 125 L HN 0.058 nan 8.230 nan 0.000 0.450 126 S N -0.121 115.549 115.700 -0.050 0.000 2.345 126 S HA -0.186 4.285 4.470 0.001 0.000 0.220 126 S C 1.623 176.232 174.600 0.015 0.000 1.031 126 S CA 1.635 59.831 58.200 -0.006 0.000 0.996 126 S CB -0.410 62.786 63.200 -0.007 0.000 0.882 126 S HN 0.559 nan 8.310 nan 0.000 0.445 127 Q N 0.258 120.061 119.800 0.005 0.000 2.715 127 Q HA 0.762 5.103 4.340 0.001 0.000 0.399 127 Q C -0.189 175.824 176.000 0.023 0.000 1.017 127 Q CA -0.106 55.707 55.803 0.017 0.000 1.077 127 Q CB -0.070 28.669 28.738 0.003 0.000 1.350 127 Q HN 0.593 nan 8.270 nan 0.000 0.421 128 A N 1.980 124.833 122.820 0.055 0.000 2.409 128 A HA 0.648 4.968 4.320 0.001 0.000 0.267 128 A C -2.311 175.382 177.584 0.180 0.000 1.127 128 A CA -1.295 50.802 52.037 0.100 0.000 0.795 128 A CB 0.156 19.198 19.000 0.070 0.000 1.061 128 A HN 0.468 nan 8.150 nan 0.000 0.502 129 P HA 0.154 nan 4.420 nan 0.000 0.267 129 P C 0.693 178.029 177.300 0.060 0.000 1.209 129 P CA -0.215 62.926 63.100 0.068 0.000 0.763 129 P CB 0.607 32.330 31.700 0.037 0.000 0.816 130 R N 3.052 123.476 120.500 -0.126 0.000 2.153 130 R HA -0.067 4.274 4.340 0.001 0.000 0.218 130 R C 1.462 177.507 176.300 -0.426 0.000 1.072 130 R CA 1.237 57.016 56.100 -0.534 0.000 0.990 130 R CB -0.018 29.997 30.300 -0.475 0.000 0.889 130 R HN 0.562 nan 8.270 nan 0.000 0.452 131 Q N 0.353 120.051 119.800 -0.170 0.000 2.375 131 Q HA 0.294 4.634 4.340 0.001 0.000 0.316 131 Q C 0.141 176.135 176.000 -0.011 0.000 0.927 131 Q CA 0.136 55.886 55.803 -0.088 0.000 1.029 131 Q CB 0.578 29.278 28.738 -0.063 0.000 1.202 131 Q HN 0.410 nan 8.270 nan 0.000 0.431 132 G N -0.030 108.790 108.800 0.033 0.000 2.415 132 G HA2 0.414 4.374 3.960 0.001 0.000 0.269 132 G HA3 0.414 4.374 3.960 0.001 0.000 0.269 132 G C 0.722 175.663 174.900 0.069 0.000 1.209 132 G CA -0.531 44.611 45.100 0.071 0.000 0.835 132 G HN 0.360 nan 8.290 nan 0.000 0.534 133 L N 1.091 122.335 121.223 0.036 0.000 2.549 133 L HA 0.118 4.458 4.340 0.001 0.000 0.230 133 L C 1.283 178.163 176.870 0.016 0.000 1.162 133 L CA 1.266 56.114 54.840 0.014 0.000 0.834 133 L CB -0.627 41.420 42.059 -0.019 0.000 0.947 133 L HN 0.438 nan 8.230 nan 0.000 0.452 134 L N -2.002 119.242 121.223 0.035 0.000 2.861 134 L HA 0.054 4.394 4.340 0.001 0.000 0.290 134 L C 1.015 177.909 176.870 0.039 0.000 1.346 134 L CA -0.250 54.599 54.840 0.015 0.000 0.779 134 L CB 0.340 42.384 42.059 -0.025 0.000 1.143 134 L HN 0.003 nan 8.230 nan 0.000 0.548 135 Y N 0.866 121.150 120.300 -0.027 0.000 2.200 135 Y HA -0.086 4.465 4.550 0.001 0.000 0.290 135 Y C 1.957 177.843 175.900 -0.024 0.000 1.137 135 Y CA 1.923 60.010 58.100 -0.023 0.000 1.163 135 Y CB 0.375 38.826 38.460 -0.014 0.000 0.988 135 Y HN 0.324 nan 8.280 nan 0.000 0.518 136 G N -0.063 108.526 108.800 -0.352 0.000 2.623 136 G HA2 0.039 3.999 3.960 0.001 0.000 0.214 136 G HA3 0.039 3.999 3.960 0.001 0.000 0.214 136 G C -0.017 174.730 174.900 -0.257 0.000 1.138 136 G CA 0.263 45.116 45.100 -0.412 0.000 0.794 136 G HN 0.141 nan 8.290 nan 0.000 0.535 137 V N 2.608 122.412 119.914 -0.184 0.000 2.455 137 V HA 0.225 4.346 4.120 0.001 0.000 0.273 137 V C -2.072 173.923 176.094 -0.165 0.000 1.045 137 V CA -1.610 60.592 62.300 -0.163 0.000 0.976 137 V CB 1.504 33.253 31.823 -0.124 0.000 0.993 137 V HN 0.035 nan 8.190 nan 0.000 0.475 138 P HA 0.236 nan 4.420 nan 0.000 0.276 138 P C -0.768 176.495 177.300 -0.061 0.000 1.243 138 P CA -0.011 62.929 63.100 -0.266 0.000 0.768 138 P CB 0.760 31.968 31.700 -0.820 0.000 0.856 139 V N 0.880 120.895 119.914 0.168 0.000 2.555 139 V HA 0.676 4.796 4.120 0.001 0.000 0.302 139 V C 0.031 176.152 176.094 0.045 0.000 1.038 139 V CA -0.985 61.370 62.300 0.091 0.000 0.887 139 V CB 1.604 33.402 31.823 -0.042 0.000 0.991 139 V HN 0.530 nan 8.190 nan 0.000 0.434 140 S N 4.782 120.422 115.700 -0.099 0.000 2.525 140 S HA 0.797 5.267 4.470 0.001 0.000 0.278 140 S C -0.562 173.888 174.600 -0.251 0.000 1.234 140 S CA -0.712 57.286 58.200 -0.336 0.000 1.058 140 S CB 1.062 64.094 63.200 -0.281 0.000 0.983 140 S HN 0.697 nan 8.310 nan 0.000 0.495 141 L N 2.414 123.494 121.223 -0.238 0.000 2.333 141 L HA 0.501 4.842 4.340 0.001 0.000 0.280 141 L C 0.358 177.244 176.870 0.027 0.000 1.004 141 L CA -0.801 53.957 54.840 -0.136 0.000 0.820 141 L CB 1.711 43.744 42.059 -0.043 0.000 1.247 141 L HN 0.712 nan 8.230 nan 0.000 0.416 142 K N 2.461 122.893 120.400 0.053 0.000 2.401 142 K HA -0.029 4.291 4.320 0.001 0.000 0.278 142 K C 1.100 177.781 176.600 0.134 0.000 1.018 142 K CA 0.056 56.427 56.287 0.141 0.000 0.981 142 K CB 0.950 33.600 32.500 0.250 0.000 0.933 142 K HN 0.769 nan 8.250 nan 0.000 0.477 143 E N 3.051 123.184 120.200 -0.111 0.000 2.338 143 E HA -0.183 4.167 4.350 0.001 0.000 0.197 143 E C 1.524 177.914 176.600 -0.350 0.000 1.007 143 E CA 1.199 57.281 56.400 -0.529 0.000 0.849 143 E CB -0.346 29.101 29.700 -0.421 0.000 0.774 143 E HN 0.790 nan 8.360 nan 0.000 0.506 144 C N 0.079 119.322 119.300 -0.095 0.000 2.419 144 C HA 0.040 4.500 4.460 0.001 0.000 0.283 144 C C 1.038 175.994 174.990 -0.056 0.000 1.373 144 C CA -0.678 58.297 59.018 -0.072 0.000 1.781 144 C CB -1.750 25.925 27.740 -0.107 0.000 1.886 144 C HN 0.214 nan 8.230 nan 0.000 0.520 145 F N 3.708 123.668 119.950 0.017 0.000 2.468 145 F HA 0.257 4.784 4.527 0.000 0.000 0.356 145 F C 1.323 177.248 175.800 0.209 0.000 1.167 145 F CA 0.292 58.358 58.000 0.109 0.000 1.135 145 F CB 0.085 39.159 39.000 0.123 0.000 1.197 145 F HN 0.277 nan 8.300 nan 0.000 0.569 146 S N 4.573 120.438 115.700 0.275 0.000 2.498 146 S HA 0.103 4.574 4.470 0.001 0.000 0.281 146 S C -0.900 173.880 174.600 0.300 0.000 1.265 146 S CA -0.388 57.971 58.200 0.264 0.000 1.071 146 S CB 0.035 63.324 63.200 0.148 0.000 0.894 146 S HN 0.521 nan 8.310 nan 0.000 0.491 147 Y N 2.456 122.875 120.300 0.199 0.000 2.328 147 Y HA 0.477 5.028 4.550 0.001 0.000 0.336 147 Y C 0.467 176.437 175.900 0.117 0.000 0.960 147 Y CA -0.424 57.722 58.100 0.078 0.000 1.134 147 Y CB 0.727 39.106 38.460 -0.136 0.000 1.166 147 Y HN 0.993 nan 8.280 nan 0.000 0.464 148 K N 3.238 123.555 120.400 -0.139 0.000 2.511 148 K HA 0.337 4.657 4.320 0.001 0.000 0.277 148 K C 1.067 177.760 176.600 0.155 0.000 1.025 148 K CA 0.714 56.983 56.287 -0.030 0.000 1.112 148 K CB -1.120 31.293 32.500 -0.145 0.000 0.859 148 K HN 1.765 nan 8.250 nan 0.000 0.485 149 G N 1.636 110.517 108.800 0.135 0.000 2.147 149 G HA2 -0.184 3.776 3.960 0.001 0.000 0.244 149 G HA3 -0.184 3.776 3.960 0.001 0.000 0.244 149 G C 0.043 174.951 174.900 0.014 0.000 1.005 149 G CA 0.474 45.625 45.100 0.085 0.000 0.713 149 G HN 1.124 nan 8.290 nan 0.000 0.515 150 H N -0.435 118.727 119.070 0.154 0.000 2.821 150 H HA 0.392 4.949 4.556 0.000 0.000 0.373 150 H C -1.043 174.398 175.328 0.189 0.000 1.165 150 H CA -0.835 55.319 56.048 0.177 0.000 1.154 150 H CB 1.858 31.737 29.762 0.196 0.000 1.765 150 H HN 0.154 nan 8.280 nan 0.000 0.549 151 D N 0.450 121.019 120.400 0.282 0.000 2.308 151 D HA 0.099 4.739 4.640 0.001 0.000 0.251 151 D C -0.147 176.292 176.300 0.232 0.000 1.127 151 D CA 0.282 54.413 54.000 0.218 0.000 0.876 151 D CB 0.922 41.829 40.800 0.178 0.000 1.176 151 D HN 0.224 nan 8.370 nan 0.000 0.446 152 S N 1.193 116.988 115.700 0.158 0.000 3.208 152 S HA 0.132 4.602 4.470 0.001 0.000 0.195 152 S C -0.031 174.607 174.600 0.064 0.000 1.394 152 S CA -0.698 57.548 58.200 0.078 0.000 1.127 152 S CB -0.361 62.880 63.200 0.069 0.000 1.282 152 S HN 0.556 nan 8.310 nan 0.000 0.513 153 T N 0.538 115.150 114.554 0.098 0.000 2.946 153 T HA 0.114 4.464 4.350 0.001 0.000 0.311 153 T C 0.734 175.469 174.700 0.059 0.000 1.063 153 T CA -0.423 61.724 62.100 0.079 0.000 1.139 153 T CB 0.290 69.239 68.868 0.134 0.000 0.994 153 T HN 0.119 nan 8.240 nan 0.000 0.547 154 L N 3.057 124.285 121.223 0.008 0.000 2.653 154 L HA 0.343 4.684 4.340 0.001 0.000 0.232 154 L C 2.012 178.898 176.870 0.025 0.000 1.169 154 L CA 0.932 55.775 54.840 0.005 0.000 0.951 154 L CB -0.966 41.074 42.059 -0.032 0.000 1.181 154 L HN 1.263 nan 8.230 nan 0.000 0.460 155 G N -0.258 108.576 108.800 0.058 0.000 2.132 155 G HA2 -0.227 3.734 3.960 0.001 0.000 0.234 155 G HA3 -0.227 3.734 3.960 0.001 0.000 0.234 155 G C -0.145 174.708 174.900 -0.078 0.000 0.989 155 G CA -0.248 44.865 45.100 0.022 0.000 0.676 155 G HN 0.158 nan 8.290 nan 0.000 0.522 156 L N 1.179 122.337 121.223 -0.108 0.000 2.349 156 L HA 0.656 4.997 4.340 0.001 0.000 0.278 156 L C 1.511 178.301 176.870 -0.133 0.000 0.996 156 L CA 0.219 54.947 54.840 -0.186 0.000 0.825 156 L CB 1.355 43.264 42.059 -0.250 0.000 1.243 156 L HN 0.044 nan 8.230 nan 0.000 0.412 157 S N 2.883 118.509 115.700 -0.123 0.000 2.400 157 S HA -0.177 4.294 4.470 0.001 0.000 0.232 157 S C 1.755 176.310 174.600 -0.075 0.000 1.025 157 S CA 1.165 59.316 58.200 -0.082 0.000 0.993 157 S CB -0.233 62.936 63.200 -0.052 0.000 0.808 157 S HN 0.625 nan 8.310 nan 0.000 0.478 158 L N 2.569 123.733 121.223 -0.100 0.000 2.051 158 L HA -0.243 4.097 4.340 0.001 0.000 0.214 158 L C 1.097 177.937 176.870 -0.049 0.000 1.076 158 L CA 1.926 56.718 54.840 -0.080 0.000 0.758 158 L CB -0.678 41.316 42.059 -0.108 0.000 0.890 158 L HN 0.368 nan 8.230 nan 0.000 0.433 159 N N -1.521 117.150 118.700 -0.048 0.000 2.336 159 N HA -0.050 4.690 4.740 0.001 0.000 0.189 159 N C 1.332 176.846 175.510 0.006 0.000 1.113 159 N CA 0.507 53.550 53.050 -0.011 0.000 0.858 159 N CB 0.024 38.512 38.487 0.000 0.000 0.970 159 N HN 0.355 nan 8.380 nan 0.000 0.471 160 E N 1.555 121.748 120.200 -0.011 0.000 2.347 160 E HA -0.024 4.326 4.350 0.001 0.000 0.196 160 E C 1.721 178.328 176.600 0.012 0.000 1.008 160 E CA 0.854 57.253 56.400 -0.002 0.000 0.852 160 E CB -0.446 29.230 29.700 -0.040 0.000 0.783 160 E HN 0.331 nan 8.360 nan 0.000 0.505 161 G N 1.341 110.146 108.800 0.008 0.000 2.705 161 G HA2 -0.125 3.835 3.960 0.001 0.000 0.214 161 G HA3 -0.125 3.835 3.960 0.001 0.000 0.214 161 G C 0.769 175.685 174.900 0.027 0.000 1.321 161 G CA 1.236 46.344 45.100 0.014 0.000 0.826 161 G HN 0.332 nan 8.290 nan 0.000 0.595 162 M N 2.262 121.880 119.600 0.030 0.000 2.162 162 M HA 0.380 4.860 4.480 0.001 0.000 0.356 162 M C -2.723 173.609 176.300 0.054 0.000 1.303 162 M CA -2.670 52.651 55.300 0.036 0.000 1.116 162 M CB 0.723 33.342 32.600 0.031 0.000 1.632 162 M HN -0.001 nan 8.290 nan 0.000 0.469 163 P HA 0.259 nan 4.420 nan 0.000 0.276 163 P C -0.841 176.501 177.300 0.071 0.000 1.252 163 P CA -0.376 62.767 63.100 0.071 0.000 0.802 163 P CB 0.514 32.241 31.700 0.045 0.000 1.035 164 S N -0.304 115.454 115.700 0.097 0.000 2.513 164 S HA 0.332 4.802 4.470 0.001 0.000 0.276 164 S C 1.539 176.169 174.600 0.048 0.000 1.254 164 S CA -0.238 58.009 58.200 0.079 0.000 1.053 164 S CB 0.622 63.887 63.200 0.108 0.000 0.958 164 S HN 0.618 nan 8.310 nan 0.000 0.491 165 E N 1.337 121.553 120.200 0.027 0.000 2.418 165 E HA 0.120 4.470 4.350 0.001 0.000 0.197 165 E C 0.669 177.265 176.600 -0.007 0.000 1.026 165 E CA 0.757 57.163 56.400 0.009 0.000 0.862 165 E CB 0.044 29.747 29.700 0.005 0.000 0.799 165 E HN 0.498 nan 8.360 nan 0.000 0.518 166 S N -0.350 115.345 115.700 -0.008 0.000 2.533 166 S HA 0.414 4.884 4.470 0.001 0.000 0.271 166 S C -1.938 172.634 174.600 -0.047 0.000 1.143 166 S CA -0.879 57.300 58.200 -0.034 0.000 0.891 166 S CB 1.527 64.712 63.200 -0.025 0.000 1.105 166 S HN 0.307 nan 8.310 nan 0.000 0.468 167 D N 2.216 122.548 120.400 -0.113 0.000 2.425 167 D HA 0.190 4.831 4.640 0.001 0.000 0.247 167 D C 0.735 177.013 176.300 -0.035 0.000 1.147 167 D CA 0.002 53.920 54.000 -0.136 0.000 0.879 167 D CB 0.263 40.915 40.800 -0.248 0.000 1.179 167 D HN 0.644 nan 8.370 nan 0.000 0.456 168 C N 1.418 120.739 119.300 0.035 0.000 2.656 168 C HA 0.207 4.668 4.460 0.001 0.000 0.391 168 C C 2.124 177.156 174.990 0.070 0.000 1.300 168 C CA -0.850 58.210 59.018 0.070 0.000 2.302 168 C CB 0.293 28.110 27.740 0.130 0.000 2.655 168 C HN 0.510 nan 8.230 nan 0.000 0.656 169 V N 2.899 122.853 119.914 0.067 0.000 2.282 169 V HA -0.214 3.906 4.120 0.001 0.000 0.249 169 V C 2.630 178.763 176.094 0.065 0.000 1.057 169 V CA 2.819 65.151 62.300 0.054 0.000 1.032 169 V CB -0.820 31.035 31.823 0.054 0.000 0.645 169 V HN 1.049 nan 8.190 nan 0.000 0.447 170 V N -1.939 118.046 119.914 0.119 0.000 2.970 170 V HA -0.071 4.049 4.120 0.001 0.000 0.260 170 V C 2.069 178.204 176.094 0.069 0.000 1.100 170 V CA 1.649 64.014 62.300 0.108 0.000 1.122 170 V CB -0.282 31.646 31.823 0.175 0.000 0.721 170 V HN 0.294 nan 8.190 nan 0.000 0.483 171 V N 0.588 120.557 119.914 0.092 0.000 2.453 171 V HA -0.215 3.906 4.120 0.001 0.000 0.247 171 V C 2.788 178.884 176.094 0.003 0.000 1.048 171 V CA 2.352 64.687 62.300 0.058 0.000 1.049 171 V CB -0.786 31.100 31.823 0.104 0.000 0.672 171 V HN 0.564 nan 8.190 nan 0.000 0.457 172 Q N -0.084 119.708 119.800 -0.014 0.000 2.050 172 Q HA -0.189 4.152 4.340 0.001 0.000 0.202 172 Q C 2.458 178.418 176.000 -0.066 0.000 0.980 172 Q CA 2.099 57.870 55.803 -0.052 0.000 0.840 172 Q CB -0.510 28.196 28.738 -0.052 0.000 0.898 172 Q HN 0.633 nan 8.270 nan 0.000 0.424 173 V N -0.327 119.562 119.914 -0.043 0.000 2.626 173 V HA -0.158 3.962 4.120 0.001 0.000 0.252 173 V C 1.812 177.884 176.094 -0.036 0.000 1.067 173 V CA 1.204 63.478 62.300 -0.045 0.000 1.081 173 V CB -0.377 31.435 31.823 -0.018 0.000 0.686 173 V HN 0.310 nan 8.190 nan 0.000 0.468 174 L N -0.299 120.906 121.223 -0.030 0.000 2.027 174 L HA -0.123 4.217 4.340 0.001 0.000 0.206 174 L C 2.855 179.708 176.870 -0.028 0.000 1.074 174 L CA 2.217 57.039 54.840 -0.030 0.000 0.745 174 L CB -0.558 41.483 42.059 -0.032 0.000 0.898 174 L HN 0.275 nan 8.230 nan 0.000 0.433 175 K N 0.105 120.485 120.400 -0.033 0.000 2.057 175 K HA -0.117 4.203 4.320 0.001 0.000 0.206 175 K C 2.018 178.587 176.600 -0.051 0.000 1.050 175 K CA 1.117 57.382 56.287 -0.037 0.000 0.935 175 K CB -0.108 32.365 32.500 -0.045 0.000 0.715 175 K HN 0.214 nan 8.250 nan 0.000 0.439 176 L N 0.395 121.562 121.223 -0.093 0.000 2.456 176 L HA -0.145 4.195 4.340 0.001 0.000 0.224 176 L C 1.789 178.627 176.870 -0.053 0.000 1.148 176 L CA 0.734 55.487 54.840 -0.145 0.000 0.825 176 L CB -0.006 41.837 42.059 -0.361 0.000 0.937 176 L HN 0.167 nan 8.230 nan 0.000 0.450 177 Q N -0.583 119.211 119.800 -0.010 0.000 2.198 177 Q HA 0.180 4.521 4.340 0.001 0.000 0.209 177 Q C 1.126 177.152 176.000 0.044 0.000 0.848 177 Q CA 0.587 56.407 55.803 0.030 0.000 0.974 177 Q CB 0.719 29.469 28.738 0.020 0.000 1.115 177 Q HN 0.336 nan 8.270 nan 0.000 0.494 178 G N -1.107 107.716 108.800 0.039 0.000 2.194 178 G HA2 -0.260 3.700 3.960 0.001 0.000 0.236 178 G HA3 -0.260 3.700 3.960 0.001 0.000 0.236 178 G C 0.282 175.169 174.900 -0.022 0.000 0.987 178 G CA -0.045 45.097 45.100 0.069 0.000 0.635 178 G HN 0.612 nan 8.290 nan 0.000 0.520 179 A N -0.301 122.501 122.820 -0.031 0.000 2.366 179 A HA 0.671 4.992 4.320 0.001 0.000 0.249 179 A C 0.471 178.031 177.584 -0.041 0.000 1.084 179 A CA 0.599 52.604 52.037 -0.053 0.000 0.794 179 A CB 0.940 19.913 19.000 -0.046 0.000 1.034 179 A HN 1.284 nan 8.150 nan 0.000 0.491 180 V N 2.339 122.235 119.914 -0.030 0.000 2.289 180 V HA 0.287 4.407 4.120 0.001 0.000 0.272 180 V C -2.671 173.494 176.094 0.120 0.000 1.026 180 V CA -1.572 60.737 62.300 0.016 0.000 0.807 180 V CB 0.802 32.620 31.823 -0.008 0.000 1.044 180 V HN 0.702 nan 8.190 nan 0.000 0.443 181 P HA 0.193 nan 4.420 nan 0.000 0.269 181 P C 0.069 177.320 177.300 -0.080 0.000 1.252 181 P CA 0.021 63.129 63.100 0.013 0.000 0.780 181 P CB 0.263 31.962 31.700 -0.002 0.000 0.829 182 F N 3.557 123.362 119.950 -0.241 0.000 2.667 182 F HA 0.298 4.826 4.527 0.000 0.000 0.288 182 F C -0.055 175.594 175.800 -0.252 0.000 1.086 182 F CA -0.247 57.635 58.000 -0.197 0.000 1.297 182 F CB -0.242 38.745 39.000 -0.023 0.000 1.059 182 F HN 0.048 nan 8.300 nan 0.000 0.624 183 V N -0.973 118.345 119.914 -0.995 0.000 2.914 183 V HA 0.516 4.636 4.120 0.001 0.000 0.314 183 V C -0.958 174.829 176.094 -0.511 0.000 1.084 183 V CA -0.984 60.904 62.300 -0.685 0.000 0.963 183 V CB 1.208 32.640 31.823 -0.652 0.000 1.025 183 V HN 0.287 nan 8.190 nan 0.000 0.432 184 H N 1.545 120.382 119.070 -0.388 0.000 2.548 184 H HA 0.627 5.184 4.556 0.000 0.000 0.331 184 H C 0.204 175.379 175.328 -0.256 0.000 1.093 184 H CA 0.089 55.967 56.048 -0.284 0.000 1.367 184 H CB 1.550 31.180 29.762 -0.219 0.000 1.455 184 H HN 1.007 nan 8.280 nan 0.000 0.519 185 T N 0.907 115.425 114.554 -0.061 0.000 2.885 185 T HA 0.167 4.517 4.350 0.001 0.000 0.285 185 T C 0.196 174.835 174.700 -0.101 0.000 1.019 185 T CA -1.223 60.813 62.100 -0.105 0.000 1.010 185 T CB 1.546 70.361 68.868 -0.089 0.000 1.022 185 T HN 0.433 nan 8.240 nan 0.000 0.466 186 N N 0.779 119.419 118.700 -0.101 0.000 2.441 186 N HA 0.351 5.091 4.740 0.001 0.000 0.251 186 N C -0.249 175.259 175.510 -0.004 0.000 1.242 186 N CA -0.148 52.861 53.050 -0.068 0.000 0.898 186 N CB 0.493 38.954 38.487 -0.044 0.000 1.100 186 N HN 0.778 nan 8.380 nan 0.000 0.443 187 V N 0.310 120.243 119.914 0.032 0.000 3.074 187 V HA 0.776 4.896 4.120 0.001 0.000 0.314 187 V C -2.551 173.588 176.094 0.076 0.000 1.117 187 V CA -2.110 60.222 62.300 0.054 0.000 1.014 187 V CB 1.924 33.777 31.823 0.049 0.000 1.057 187 V HN 0.591 nan 8.190 nan 0.000 0.438 188 P HA 0.117 nan 4.420 nan 0.000 0.272 188 P C 0.428 177.791 177.300 0.106 0.000 1.230 188 P CA 0.048 63.201 63.100 0.089 0.000 0.788 188 P CB 0.993 32.744 31.700 0.085 0.000 0.949 189 Q N 1.255 121.127 119.800 0.120 0.000 2.152 189 Q HA -0.178 4.162 4.340 0.001 0.000 0.206 189 Q C 1.461 177.506 176.000 0.075 0.000 0.985 189 Q CA 2.260 58.124 55.803 0.102 0.000 0.863 189 Q CB -0.381 28.442 28.738 0.142 0.000 0.904 189 Q HN 0.324 nan 8.270 nan 0.000 0.422 190 S N -1.505 114.313 115.700 0.196 0.000 2.559 190 S HA 0.274 4.745 4.470 0.001 0.000 0.226 190 S C 0.462 175.182 174.600 0.200 0.000 1.000 190 S CA 0.336 58.657 58.200 0.201 0.000 0.948 190 S CB 0.101 63.590 63.200 0.481 0.000 0.870 190 S HN 0.562 nan 8.310 nan 0.000 0.497 191 M N -0.996 118.695 119.600 0.152 0.000 2.835 191 M HA -0.239 4.242 4.480 0.001 0.000 0.161 191 M C -0.015 176.384 176.300 0.165 0.000 0.676 191 M CA 0.766 56.148 55.300 0.136 0.000 0.607 191 M CB -1.431 31.223 32.600 0.090 0.000 2.212 191 M HN 0.264 nan 8.290 nan 0.000 0.291 192 L N 1.730 123.099 121.223 0.244 0.000 2.466 192 L HA 0.539 4.879 4.340 0.001 0.000 0.248 192 L C 0.209 177.184 176.870 0.175 0.000 1.240 192 L CA 0.582 55.538 54.840 0.194 0.000 1.180 192 L CB 0.515 42.677 42.059 0.171 0.000 1.413 192 L HN 0.273 nan 8.230 nan 0.000 0.406 193 S N 1.502 117.286 115.700 0.141 0.000 2.578 193 S HA 0.304 4.774 4.470 0.001 0.000 0.285 193 S C -0.167 174.500 174.600 0.111 0.000 1.126 193 S CA -0.632 57.624 58.200 0.093 0.000 0.878 193 S CB 0.329 63.565 63.200 0.060 0.000 1.091 193 S HN 0.342 nan 8.310 nan 0.000 0.450 194 F N 1.571 121.432 119.950 -0.149 0.000 2.639 194 F HA 0.567 5.095 4.527 0.001 0.000 0.300 194 F C 0.327 176.027 175.800 -0.166 0.000 1.109 194 F CA -0.629 57.216 58.000 -0.259 0.000 1.335 194 F CB 0.075 38.634 39.000 -0.736 0.000 1.014 194 F HN 0.455 nan 8.300 nan 0.000 0.537 195 D N 0.479 120.713 120.400 -0.276 0.000 2.466 195 D HA 0.292 4.932 4.640 0.001 0.000 0.262 195 D C -0.862 175.422 176.300 -0.027 0.000 1.177 195 D CA -0.585 53.324 54.000 -0.152 0.000 1.035 195 D CB 2.110 42.808 40.800 -0.169 0.000 1.105 195 D HN 0.221 nan 8.370 nan 0.000 0.551 196 C N 1.409 120.712 119.300 0.006 0.000 2.660 196 C HA 0.677 5.137 4.460 0.001 0.000 0.336 196 C C -1.160 173.852 174.990 0.038 0.000 1.058 196 C CA -0.183 58.856 59.018 0.035 0.000 1.368 196 C CB -1.115 26.654 27.740 0.048 0.000 1.884 196 C HN 0.434 nan 8.230 nan 0.000 0.454 197 S N 5.359 121.088 115.700 0.047 0.000 2.578 197 S HA 0.645 5.116 4.470 0.001 0.000 0.285 197 S C -1.898 172.741 174.600 0.066 0.000 1.126 197 S CA -0.499 57.731 58.200 0.050 0.000 0.878 197 S CB 1.047 64.263 63.200 0.028 0.000 1.091 197 S HN 1.103 nan 8.310 nan 0.000 0.450 198 N N 3.011 121.753 118.700 0.070 0.000 2.591 198 N HA 0.457 5.197 4.740 0.001 0.000 0.263 198 N C -2.978 172.543 175.510 0.018 0.000 1.308 198 N CA -1.491 51.598 53.050 0.065 0.000 0.837 198 N CB 1.608 40.153 38.487 0.096 0.000 1.548 198 N HN 0.313 nan 8.380 nan 0.000 0.493 199 P HA 0.079 nan 4.420 nan 0.000 0.225 199 P C 1.411 178.620 177.300 -0.150 0.000 1.156 199 P CA 0.298 63.346 63.100 -0.086 0.000 0.787 199 P CB 0.425 32.102 31.700 -0.038 0.000 0.802 200 L N -2.376 118.728 121.223 -0.199 0.000 2.127 200 L HA 0.097 4.438 4.340 0.001 0.000 0.203 200 L C 1.827 178.365 176.870 -0.552 0.000 1.080 200 L CA 1.843 56.418 54.840 -0.442 0.000 0.768 200 L CB -0.900 40.773 42.059 -0.643 0.000 0.924 200 L HN -0.092 nan 8.230 nan 0.000 0.444 201 F N -1.592 118.350 119.950 -0.013 0.000 2.724 201 F HA 0.494 5.021 4.527 0.000 0.000 0.306 201 F C 1.397 177.186 175.800 -0.019 0.000 1.100 201 F CA 0.222 58.215 58.000 -0.011 0.000 1.255 201 F CB 0.197 39.196 39.000 -0.002 0.000 1.072 201 F HN 0.092 nan 8.300 nan 0.000 0.589 202 G N 1.055 109.923 108.800 0.113 0.000 2.698 202 G HA2 -0.248 3.712 3.960 0.001 0.000 0.225 202 G HA3 -0.248 3.712 3.960 0.001 0.000 0.225 202 G C -0.827 174.110 174.900 0.062 0.000 1.345 202 G CA -0.906 44.228 45.100 0.057 0.000 0.871 202 G HN 0.201 nan 8.290 nan 0.000 0.540 203 Q N -0.101 119.719 119.800 0.033 0.000 2.286 203 Q HA 0.553 4.893 4.340 0.001 0.000 0.257 203 Q C 0.436 176.452 176.000 0.027 0.000 0.941 203 Q CA 0.146 55.966 55.803 0.027 0.000 0.912 203 Q CB 0.528 29.273 28.738 0.012 0.000 1.192 203 Q HN 0.653 nan 8.270 nan 0.000 0.410 204 T N 4.075 118.648 114.554 0.032 0.000 2.869 204 T HA 0.350 4.700 4.350 0.001 0.000 0.295 204 T C -0.251 174.470 174.700 0.035 0.000 0.987 204 T CA -0.211 61.906 62.100 0.029 0.000 1.109 204 T CB 0.564 69.453 68.868 0.034 0.000 0.932 204 T HN 0.532 nan 8.240 nan 0.000 0.518 205 M N 2.861 122.481 119.600 0.033 0.000 2.537 205 M HA 0.322 4.802 4.480 0.001 0.000 0.324 205 M C 0.497 176.842 176.300 0.075 0.000 1.187 205 M CA -0.692 54.635 55.300 0.044 0.000 0.993 205 M CB 1.304 33.919 32.600 0.025 0.000 1.666 205 M HN 0.426 nan 8.290 nan 0.000 0.461 206 N N 2.715 121.476 118.700 0.102 0.000 2.483 206 N HA 0.112 4.853 4.740 0.001 0.000 0.264 206 N C -1.905 173.691 175.510 0.142 0.000 1.197 206 N CA -1.013 52.133 53.050 0.160 0.000 0.927 206 N CB 1.139 39.735 38.487 0.181 0.000 1.065 206 N HN 0.365 nan 8.380 nan 0.000 0.461 207 P HA -0.133 nan 4.420 nan 0.000 0.216 207 P C 0.876 178.197 177.300 0.036 0.000 1.153 207 P CA 1.595 64.722 63.100 0.046 0.000 0.858 207 P CB -0.023 31.664 31.700 -0.021 0.000 0.789 208 W N 0.488 121.799 121.300 0.018 0.000 2.476 208 W HA 0.150 4.810 4.660 0.000 0.000 0.281 208 W C 1.243 177.762 176.519 -0.001 0.000 1.230 208 W CA 0.596 57.947 57.345 0.010 0.000 1.287 208 W CB -0.044 29.424 29.460 0.013 0.000 1.108 208 W HN -0.094 nan 8.180 nan 0.000 0.567 209 K N -0.666 119.864 120.400 0.217 0.000 2.571 209 K HA 0.174 4.495 4.320 0.001 0.000 0.252 209 K C 0.237 176.881 176.600 0.072 0.000 0.956 209 K CA -0.211 56.142 56.287 0.109 0.000 0.822 209 K CB 1.605 34.156 32.500 0.085 0.000 1.286 209 K HN -0.400 nan 8.250 nan 0.000 0.439 210 S N 0.534 116.259 115.700 0.043 0.000 2.555 210 S HA -0.067 4.403 4.470 0.001 0.000 0.230 210 S C 1.019 175.630 174.600 0.018 0.000 0.978 210 S CA 1.050 59.267 58.200 0.028 0.000 0.934 210 S CB -0.007 63.200 63.200 0.012 0.000 0.766 210 S HN 0.660 nan 8.310 nan 0.000 0.533 211 S N 0.409 116.117 115.700 0.013 0.000 2.622 211 S HA 0.338 4.809 4.470 0.001 0.000 0.236 211 S C 0.152 174.747 174.600 -0.008 0.000 0.956 211 S CA -0.462 57.738 58.200 -0.000 0.000 0.971 211 S CB 0.214 63.410 63.200 -0.006 0.000 0.782 211 S HN 0.016 nan 8.310 nan 0.000 0.468 212 K N 0.910 121.314 120.400 0.006 0.000 2.444 212 K HA 0.478 4.798 4.320 0.001 0.000 0.252 212 K C -0.696 175.924 176.600 0.033 0.000 0.993 212 K CA -0.546 55.739 56.287 -0.005 0.000 0.847 212 K CB 1.843 34.333 32.500 -0.017 0.000 1.340 212 K HN 0.130 nan 8.250 nan 0.000 0.446 213 S N 1.882 117.610 115.700 0.046 0.000 2.545 213 S HA 0.220 4.690 4.470 0.001 0.000 0.275 213 S C -1.547 173.211 174.600 0.263 0.000 1.299 213 S CA -1.385 56.898 58.200 0.138 0.000 1.048 213 S CB 0.498 63.807 63.200 0.181 0.000 0.938 213 S HN 0.284 nan 8.310 nan 0.000 0.496 214 P HA 0.182 nan 4.420 nan 0.000 0.237 214 P C 0.829 178.307 177.300 0.297 0.000 1.178 214 P CA 0.835 64.090 63.100 0.258 0.000 0.766 214 P CB -0.642 31.151 31.700 0.156 0.000 0.876 215 G N -0.915 108.067 108.800 0.303 0.000 2.728 215 G HA2 0.262 4.222 3.960 0.001 0.000 0.294 215 G HA3 0.262 4.222 3.960 0.001 0.000 0.294 215 G C -0.357 174.562 174.900 0.032 0.000 1.342 215 G CA -0.639 44.439 45.100 -0.037 0.000 0.866 215 G HN 0.603 nan 8.290 nan 0.000 0.534 216 G N -2.485 106.342 108.800 0.045 0.000 2.489 216 G HA2 0.708 4.668 3.960 0.001 0.000 0.291 216 G HA3 0.708 4.668 3.960 0.001 0.000 0.291 216 G C 0.548 175.542 174.900 0.157 0.000 1.487 216 G CA 0.803 45.958 45.100 0.090 0.000 0.795 216 G HN 2.102 nan 8.290 nan 0.000 0.513 217 S N -1.209 114.573 115.700 0.136 0.000 2.548 217 S HA 0.116 4.587 4.470 0.001 0.000 0.215 217 S C 1.203 175.854 174.600 0.086 0.000 0.976 217 S CA 0.785 59.046 58.200 0.102 0.000 0.908 217 S CB 0.288 63.548 63.200 0.101 0.000 0.781 217 S HN 0.647 nan 8.310 nan 0.000 0.519 218 S N 1.966 117.719 115.700 0.089 0.000 3.324 218 S HA 0.369 4.840 4.470 0.001 0.000 0.229 218 S C 1.430 176.067 174.600 0.062 0.000 1.417 218 S CA -0.106 58.140 58.200 0.077 0.000 1.211 218 S CB -0.043 63.208 63.200 0.086 0.000 1.157 218 S HN 0.657 nan 8.310 nan 0.000 0.491 219 G N 1.827 110.663 108.800 0.060 0.000 2.430 219 G HA2 0.023 3.983 3.960 0.001 0.000 0.216 219 G HA3 0.023 3.983 3.960 0.001 0.000 0.216 219 G C 1.332 176.263 174.900 0.052 0.000 1.146 219 G CA 0.401 45.538 45.100 0.063 0.000 0.793 219 G HN 0.601 nan 8.290 nan 0.000 0.537 220 G N 0.780 109.598 108.800 0.029 0.000 2.418 220 G HA2 -0.143 3.817 3.960 0.001 0.000 0.217 220 G HA3 -0.143 3.817 3.960 0.001 0.000 0.217 220 G C 1.635 176.535 174.900 -0.000 0.000 1.158 220 G CA 1.030 46.131 45.100 0.002 0.000 0.771 220 G HN 0.336 nan 8.290 nan 0.000 0.545 221 E N 0.732 120.937 120.200 0.008 0.000 2.051 221 E HA -0.086 4.265 4.350 0.001 0.000 0.192 221 E C 2.798 179.419 176.600 0.035 0.000 0.991 221 E CA 1.093 57.496 56.400 0.005 0.000 0.799 221 E CB -0.954 28.751 29.700 0.009 0.000 0.748 221 E HN 0.346 nan 8.360 nan 0.000 0.449 222 G N 1.134 109.969 108.800 0.058 0.000 2.440 222 G HA2 -0.236 3.724 3.960 0.001 0.000 0.218 222 G HA3 -0.236 3.724 3.960 0.001 0.000 0.218 222 G C 1.713 176.681 174.900 0.114 0.000 1.154 222 G CA 1.395 46.550 45.100 0.092 0.000 0.767 222 G HN 0.401 nan 8.290 nan 0.000 0.552 223 A N -0.209 122.666 122.820 0.093 0.000 2.014 223 A HA 0.252 4.572 4.320 0.001 0.000 0.218 223 A C 2.287 179.908 177.584 0.061 0.000 1.163 223 A CA 1.362 53.453 52.037 0.089 0.000 0.652 223 A CB -0.240 18.800 19.000 0.067 0.000 0.808 223 A HN 0.371 nan 8.150 nan 0.000 0.449 224 L N -0.412 120.837 121.223 0.043 0.000 2.068 224 L HA 0.080 4.420 4.340 0.001 0.000 0.204 224 L C 2.158 179.069 176.870 0.068 0.000 1.076 224 L CA 1.506 56.370 54.840 0.039 0.000 0.753 224 L CB -0.309 41.755 42.059 0.008 0.000 0.910 224 L HN 0.396 nan 8.230 nan 0.000 0.439 225 I N -0.586 120.026 120.570 0.070 0.000 2.235 225 I HA -0.022 4.149 4.170 0.001 0.000 0.241 225 I C 1.295 177.472 176.117 0.100 0.000 1.085 225 I CA 0.693 62.041 61.300 0.080 0.000 1.378 225 I CB -0.818 37.216 38.000 0.057 0.000 1.076 225 I HN 0.304 nan 8.210 nan 0.000 0.415 226 G N -0.019 108.858 108.800 0.129 0.000 2.378 226 G HA2 0.300 4.260 3.960 0.001 0.000 0.255 226 G HA3 0.300 4.260 3.960 0.001 0.000 0.255 226 G C 0.743 175.691 174.900 0.080 0.000 1.270 226 G CA 0.496 45.696 45.100 0.167 0.000 0.876 226 G HN 0.548 nan 8.290 nan 0.000 0.521 227 S N 0.432 116.117 115.700 -0.025 0.000 2.044 227 S HA -0.118 4.353 4.470 0.001 0.000 0.248 227 S C 1.928 176.517 174.600 -0.017 0.000 1.146 227 S CA 1.221 59.375 58.200 -0.076 0.000 1.370 227 S CB -1.601 61.555 63.200 -0.073 0.000 1.698 227 S HN 2.880 nan 8.310 nan 0.000 0.578 228 G N 0.569 109.396 108.800 0.044 0.000 2.132 228 G HA2 0.112 4.072 3.960 0.001 0.000 0.234 228 G HA3 0.112 4.072 3.960 0.001 0.000 0.234 228 G C 1.235 176.236 174.900 0.168 0.000 0.989 228 G CA 0.797 45.950 45.100 0.090 0.000 0.676 228 G HN 1.936 nan 8.290 nan 0.000 0.522 229 G N -0.813 108.090 108.800 0.173 0.000 3.042 229 G HA2 0.479 4.439 3.960 0.001 0.000 0.212 229 G HA3 0.479 4.439 3.960 0.001 0.000 0.212 229 G C 0.424 175.558 174.900 0.390 0.000 1.166 229 G CA 1.340 46.590 45.100 0.250 0.000 0.767 229 G HN 1.393 nan 8.290 nan 0.000 0.546 230 S N -0.802 115.059 115.700 0.269 0.000 2.536 230 S HA 0.551 5.022 4.470 0.001 0.000 0.271 230 S C -2.241 172.287 174.600 -0.121 0.000 1.134 230 S CA -1.003 57.234 58.200 0.062 0.000 0.897 230 S CB 2.235 65.509 63.200 0.124 0.000 1.094 230 S HN -0.122 nan 8.310 nan 0.000 0.473 231 P HA 0.167 nan 4.420 nan 0.000 0.217 231 P C -0.231 176.994 177.300 -0.125 0.000 1.151 231 P CA 0.570 63.494 63.100 -0.292 0.000 0.828 231 P CB 0.153 31.587 31.700 -0.443 0.000 0.788 232 L N -3.029 118.125 121.223 -0.116 0.000 2.653 232 L HA 0.766 5.107 4.340 0.001 0.000 0.257 232 L C -1.209 175.617 176.870 -0.073 0.000 0.969 232 L CA -0.501 54.291 54.840 -0.080 0.000 0.869 232 L CB 1.629 43.632 42.059 -0.094 0.000 1.439 232 L HN 0.017 nan 8.230 nan 0.000 0.414 233 G N 2.070 110.823 108.800 -0.079 0.000 2.660 233 G HA2 0.617 4.578 3.960 0.001 0.000 0.290 233 G HA3 0.617 4.578 3.960 0.001 0.000 0.290 233 G C -2.580 172.236 174.900 -0.140 0.000 1.432 233 G CA -0.667 44.364 45.100 -0.114 0.000 0.807 233 G HN 0.535 nan 8.290 nan 0.000 0.485 234 L N 0.991 122.065 121.223 -0.248 0.000 2.325 234 L HA 0.797 5.138 4.340 0.001 0.000 0.281 234 L C 0.747 177.495 176.870 -0.203 0.000 1.004 234 L CA -0.393 54.248 54.840 -0.331 0.000 0.823 234 L CB 1.174 42.793 42.059 -0.733 0.000 1.236 234 L HN 0.874 nan 8.230 nan 0.000 0.415 235 G N 1.209 110.061 108.800 0.087 0.000 2.735 235 G HA2 0.779 4.739 3.960 0.001 0.000 0.301 235 G HA3 0.779 4.739 3.960 0.001 0.000 0.301 235 G C -0.856 174.273 174.900 0.381 0.000 1.279 235 G CA -0.268 44.997 45.100 0.276 0.000 1.019 235 G HN 0.542 nan 8.290 nan 0.000 0.497 236 T N -2.041 112.662 114.554 0.249 0.000 2.930 236 T HA 0.683 5.034 4.350 0.001 0.000 0.290 236 T C -1.618 173.132 174.700 0.084 0.000 1.052 236 T CA -0.799 61.379 62.100 0.130 0.000 1.017 236 T CB 2.612 71.491 68.868 0.018 0.000 1.137 236 T HN 0.450 nan 8.240 nan 0.000 0.511 237 D N 0.189 120.623 120.400 0.058 0.000 2.990 237 D HA 0.391 5.032 4.640 0.001 0.000 0.227 237 D C -0.489 175.826 176.300 0.025 0.000 1.249 237 D CA -0.598 53.428 54.000 0.042 0.000 0.891 237 D CB 2.211 43.030 40.800 0.031 0.000 1.647 237 D HN 0.657 nan 8.370 nan 0.000 0.530 238 I N 1.593 122.174 120.570 0.018 0.000 4.670 238 I HA 0.274 4.444 4.170 0.001 0.000 0.339 238 I C 0.725 176.834 176.117 -0.014 0.000 1.310 238 I CA 0.138 61.434 61.300 -0.006 0.000 1.288 238 I CB 0.920 38.907 38.000 -0.021 0.000 1.427 238 I HN 0.475 nan 8.210 nan 0.000 0.494 239 G N -0.381 108.428 108.800 0.015 0.000 3.873 239 G HA2 0.394 4.354 3.960 0.001 0.000 0.232 239 G HA3 0.394 4.354 3.960 0.001 0.000 0.232 239 G C 0.826 175.768 174.900 0.069 0.000 1.097 239 G CA 0.516 45.632 45.100 0.027 0.000 0.889 239 G HN 0.422 nan 8.290 nan 0.000 0.532 240 G N -0.070 108.736 108.800 0.010 0.000 2.234 240 G HA2 -0.171 3.789 3.960 0.001 0.000 0.153 240 G HA3 -0.171 3.789 3.960 0.001 0.000 0.153 240 G C 1.045 175.914 174.900 -0.051 0.000 1.013 240 G CA 0.611 45.588 45.100 -0.205 0.000 0.712 240 G HN 0.290 nan 8.290 nan 0.000 0.491 241 S N -0.309 115.449 115.700 0.096 0.000 2.481 241 S HA 0.194 4.665 4.470 0.001 0.000 0.231 241 S C 2.192 176.843 174.600 0.085 0.000 0.996 241 S CA 0.965 59.254 58.200 0.149 0.000 0.942 241 S CB -0.061 63.215 63.200 0.128 0.000 0.768 241 S HN 0.485 nan 8.310 nan 0.000 0.520 242 I N 0.512 121.103 120.570 0.034 0.000 2.500 242 I HA -0.032 4.139 4.170 0.001 0.000 0.252 242 I C 2.402 178.502 176.117 -0.027 0.000 1.142 242 I CA 0.961 62.274 61.300 0.021 0.000 1.451 242 I CB 0.095 38.110 38.000 0.026 0.000 1.093 242 I HN 0.113 nan 8.210 nan 0.000 0.430 243 R N -1.092 119.340 120.500 -0.115 0.000 2.206 243 R HA 0.088 4.428 4.340 0.001 0.000 0.198 243 R C 2.035 178.171 176.300 -0.272 0.000 0.986 243 R CA 0.507 56.485 56.100 -0.203 0.000 1.029 243 R CB -0.033 30.091 30.300 -0.292 0.000 0.966 243 R HN 0.123 nan 8.270 nan 0.000 0.487 244 F N 1.208 121.038 119.950 -0.200 0.000 2.075 244 F HA -0.042 4.485 4.527 0.001 0.000 0.297 244 F C -0.716 174.799 175.800 -0.474 0.000 1.113 244 F CA 0.959 58.689 58.000 -0.450 0.000 1.218 244 F CB -1.315 37.370 39.000 -0.524 0.000 0.984 244 F HN -0.027 nan 8.300 nan 0.000 0.472 245 P HA -0.064 nan 4.420 nan 0.000 0.219 245 P C 1.609 178.945 177.300 0.061 0.000 1.150 245 P CA 1.681 64.783 63.100 0.004 0.000 0.814 245 P CB -0.048 31.679 31.700 0.045 0.000 0.787 246 S N 0.004 115.721 115.700 0.028 0.000 2.368 246 S HA -0.132 4.338 4.470 0.001 0.000 0.225 246 S C 2.085 176.717 174.600 0.054 0.000 1.030 246 S CA 1.463 59.687 58.200 0.039 0.000 0.999 246 S CB -1.101 62.102 63.200 0.006 0.000 0.844 246 S HN 0.157 nan 8.310 nan 0.000 0.459 247 A N 0.922 123.774 122.820 0.053 0.000 1.929 247 A HA 0.080 4.400 4.320 0.001 0.000 0.216 247 A C 1.763 179.501 177.584 0.257 0.000 1.176 247 A CA 1.025 53.134 52.037 0.120 0.000 0.628 247 A CB -0.603 18.480 19.000 0.138 0.000 0.816 247 A HN 0.433 nan 8.150 nan 0.000 0.444 248 F N -0.635 119.332 119.950 0.028 0.000 2.293 248 F HA -0.035 4.492 4.527 0.001 0.000 0.297 248 F C 2.184 177.938 175.800 -0.077 0.000 1.089 248 F CA -0.017 57.983 58.000 -0.001 0.000 1.377 248 F CB -0.923 38.128 39.000 0.084 0.000 1.051 248 F HN 0.236 nan 8.300 nan 0.000 0.511 249 C N -0.844 118.574 119.300 0.196 0.000 3.038 249 C HA 0.567 5.027 4.460 0.001 0.000 0.279 249 C C 1.670 176.810 174.990 0.250 0.000 1.276 249 C CA 0.162 59.321 59.018 0.236 0.000 1.697 249 C CB -0.579 27.341 27.740 0.300 0.000 2.032 249 C HN 0.689 nan 8.230 nan 0.000 0.636 250 G N 1.997 110.833 108.800 0.060 0.000 2.171 250 G HA2 -0.208 3.753 3.960 0.001 0.000 0.238 250 G HA3 -0.208 3.753 3.960 0.001 0.000 0.238 250 G C -0.203 174.774 174.900 0.128 0.000 1.039 250 G CA 0.559 45.675 45.100 0.027 0.000 0.759 250 G HN 0.682 nan 8.290 nan 0.000 0.501 251 I N -3.445 117.191 120.570 0.109 0.000 3.436 251 I HA 0.875 5.045 4.170 0.001 0.000 0.296 251 I C 0.601 176.747 176.117 0.048 0.000 1.143 251 I CA -1.659 59.697 61.300 0.092 0.000 1.009 251 I CB 1.409 39.471 38.000 0.103 0.000 1.301 251 I HN 0.049 nan 8.210 nan 0.000 0.503 252 C N 0.860 120.183 119.300 0.038 0.000 2.391 252 C HA 0.950 5.410 4.460 0.001 0.000 0.339 252 C C 0.336 175.333 174.990 0.013 0.000 1.205 252 C CA -0.055 58.974 59.018 0.018 0.000 1.937 252 C CB 0.493 28.244 27.740 0.018 0.000 2.341 252 C HN 1.028 nan 8.230 nan 0.000 0.516 253 G N 1.794 110.596 108.800 0.003 0.000 2.733 253 G HA2 0.553 4.513 3.960 0.001 0.000 0.297 253 G HA3 0.553 4.513 3.960 0.001 0.000 0.297 253 G C -2.099 172.802 174.900 0.001 0.000 1.452 253 G CA -0.330 44.772 45.100 0.003 0.000 0.940 253 G HN 0.694 nan 8.290 nan 0.000 0.547 254 L N 0.890 122.122 121.223 0.014 0.000 2.362 254 L HA 0.777 5.118 4.340 0.001 0.000 0.275 254 L C -0.131 176.758 176.870 0.030 0.000 0.998 254 L CA -0.981 53.873 54.840 0.022 0.000 0.820 254 L CB 1.881 43.963 42.059 0.039 0.000 1.270 254 L HN 0.478 nan 8.230 nan 0.000 0.415 255 K N 6.622 127.037 120.400 0.025 0.000 2.268 255 K HA 0.512 4.833 4.320 0.001 0.000 0.276 255 K C -2.522 174.101 176.600 0.039 0.000 1.080 255 K CA -1.704 54.604 56.287 0.035 0.000 0.910 255 K CB 1.017 33.532 32.500 0.025 0.000 1.163 255 K HN 0.417 nan 8.250 nan 0.000 0.465 256 P HA 0.030 nan 4.420 nan 0.000 0.273 256 P C -0.863 176.436 177.300 -0.001 0.000 1.250 256 P CA -0.321 62.806 63.100 0.045 0.000 0.793 256 P CB 0.379 32.131 31.700 0.088 0.000 1.011 257 T N 0.712 115.222 114.554 -0.074 0.000 2.871 257 T HA 0.082 4.433 4.350 0.001 0.000 0.296 257 T C 1.905 176.536 174.700 -0.116 0.000 0.998 257 T CA 0.579 62.546 62.100 -0.223 0.000 1.162 257 T CB -0.188 68.285 68.868 -0.659 0.000 0.947 257 T HN 0.643 nan 8.240 nan 0.000 0.536 258 G N 3.237 111.987 108.800 -0.083 0.000 2.873 258 G HA2 -0.423 3.538 3.960 0.001 0.000 0.233 258 G HA3 -0.423 3.538 3.960 0.001 0.000 0.233 258 G C 1.070 176.007 174.900 0.062 0.000 1.124 258 G CA 1.446 46.542 45.100 -0.007 0.000 0.747 258 G HN 0.812 nan 8.290 nan 0.000 0.644 259 N N -0.677 118.086 118.700 0.104 0.000 2.251 259 N HA 0.143 4.883 4.740 0.001 0.000 0.217 259 N C 1.918 177.665 175.510 0.395 0.000 1.124 259 N CA -0.328 52.876 53.050 0.256 0.000 0.843 259 N CB 0.120 38.802 38.487 0.325 0.000 1.024 259 N HN 0.143 nan 8.380 nan 0.000 0.501 260 R N 0.192 120.910 120.500 0.363 0.000 2.075 260 R HA 0.192 4.532 4.340 0.001 0.000 0.226 260 R C 0.134 176.616 176.300 0.303 0.000 1.114 260 R CA 1.122 57.465 56.100 0.404 0.000 0.972 260 R CB 0.044 30.543 30.300 0.333 0.000 0.869 260 R HN 0.135 nan 8.270 nan 0.000 0.437 261 L N -0.060 121.300 121.223 0.229 0.000 2.330 261 L HA 0.401 4.741 4.340 0.001 0.000 0.271 261 L C 0.309 177.284 176.870 0.174 0.000 1.013 261 L CA -0.957 54.000 54.840 0.195 0.000 0.816 261 L CB 1.684 43.843 42.059 0.167 0.000 1.287 261 L HN 0.010 nan 8.230 nan 0.000 0.435 262 S N 0.514 116.307 115.700 0.156 0.000 2.589 262 S HA 0.133 4.604 4.470 0.001 0.000 0.265 262 S C 0.488 175.155 174.600 0.112 0.000 1.342 262 S CA 0.042 58.319 58.200 0.130 0.000 1.005 262 S CB 0.654 63.921 63.200 0.112 0.000 0.909 262 S HN 0.709 nan 8.310 nan 0.000 0.555 263 K N 1.052 121.501 120.400 0.081 0.000 2.520 263 K HA 0.245 4.565 4.320 0.001 0.000 0.206 263 K C 1.623 178.238 176.600 0.024 0.000 1.122 263 K CA -0.050 56.265 56.287 0.045 0.000 1.045 263 K CB 0.137 32.667 32.500 0.049 0.000 0.932 263 K HN 0.506 nan 8.250 nan 0.000 0.571 264 S N -0.084 115.638 115.700 0.037 0.000 2.356 264 S HA -0.101 4.369 4.470 0.001 0.000 0.223 264 S C 1.504 176.102 174.600 -0.003 0.000 1.032 264 S CA 1.710 59.921 58.200 0.018 0.000 1.005 264 S CB 0.020 63.236 63.200 0.028 0.000 0.867 264 S HN 0.533 nan 8.310 nan 0.000 0.449 265 G N 0.192 108.999 108.800 0.012 0.000 3.434 265 G HA2 0.372 4.332 3.960 0.001 0.000 0.258 265 G HA3 0.372 4.332 3.960 0.001 0.000 0.258 265 G C -0.164 174.738 174.900 0.003 0.000 1.128 265 G CA -0.317 44.788 45.100 0.008 0.000 0.792 265 G HN 0.246 nan 8.290 nan 0.000 0.539 266 L N 0.879 122.085 121.223 -0.029 0.000 2.367 266 L HA 0.355 4.696 4.340 0.001 0.000 0.275 266 L C 0.460 177.352 176.870 0.036 0.000 1.129 266 L CA -0.232 54.557 54.840 -0.085 0.000 0.839 266 L CB 1.305 43.261 42.059 -0.172 0.000 1.133 266 L HN -0.063 nan 8.230 nan 0.000 0.453 267 K N 1.875 122.293 120.400 0.030 0.000 2.234 267 K HA 0.648 4.969 4.320 0.001 0.000 0.282 267 K C -0.103 176.549 176.600 0.086 0.000 1.039 267 K CA -0.030 56.335 56.287 0.130 0.000 0.928 267 K CB 0.985 33.531 32.500 0.075 0.000 1.039 267 K HN 0.686 nan 8.250 nan 0.000 0.470 268 G N 0.936 109.794 108.800 0.097 0.000 2.798 268 G HA2 0.309 4.270 3.960 0.001 0.000 0.286 268 G HA3 0.309 4.270 3.960 0.001 0.000 0.286 268 G C -0.017 174.646 174.900 -0.397 0.000 1.389 268 G CA -0.489 44.502 45.100 -0.182 0.000 0.894 268 G HN 0.851 nan 8.290 nan 0.000 0.488 269 C N -1.110 118.011 119.300 -0.300 0.000 3.038 269 C HA 0.604 5.065 4.460 0.001 0.000 0.279 269 C C 0.655 175.507 174.990 -0.230 0.000 1.276 269 C CA -0.064 58.807 59.018 -0.245 0.000 1.697 269 C CB -1.135 26.524 27.740 -0.134 0.000 2.032 269 C HN 0.953 nan 8.230 nan 0.000 0.636 270 V N -0.264 119.472 119.914 -0.295 0.000 2.876 270 V HA 0.797 4.917 4.120 0.001 0.000 0.312 270 V C -1.759 174.068 176.094 -0.445 0.000 1.085 270 V CA -0.671 61.477 62.300 -0.253 0.000 0.945 270 V CB 1.822 33.653 31.823 0.012 0.000 1.017 270 V HN 0.324 nan 8.190 nan 0.000 0.428 271 Y N 3.179 123.511 120.300 0.053 0.000 2.485 271 Y HA 0.860 5.411 4.550 0.001 0.000 0.345 271 Y C 1.202 177.127 175.900 0.041 0.000 0.998 271 Y CA -0.030 58.093 58.100 0.039 0.000 1.059 271 Y CB 2.384 40.862 38.460 0.030 0.000 1.234 271 Y HN 1.228 nan 8.280 nan 0.000 0.461 272 G N 0.458 109.383 108.800 0.209 0.000 2.195 272 G HA2 -0.238 3.722 3.960 0.001 0.000 0.224 272 G HA3 -0.238 3.722 3.960 0.001 0.000 0.224 272 G C 0.123 175.080 174.900 0.096 0.000 0.990 272 G CA -0.468 44.713 45.100 0.135 0.000 0.639 272 G HN 0.512 nan 8.290 nan 0.000 0.514 273 Q N 1.518 121.363 119.800 0.076 0.000 2.239 273 Q HA 0.298 4.638 4.340 0.001 0.000 0.286 273 Q C 1.545 177.569 176.000 0.041 0.000 1.102 273 Q CA 1.552 57.381 55.803 0.043 0.000 0.936 273 Q CB 0.618 29.360 28.738 0.008 0.000 1.127 273 Q HN 0.679 nan 8.270 nan 0.000 0.380 274 T N -0.418 114.161 114.554 0.042 0.000 2.958 274 T HA 0.389 4.739 4.350 0.001 0.000 0.256 274 T C 0.611 175.326 174.700 0.024 0.000 0.983 274 T CA 0.203 62.327 62.100 0.040 0.000 0.924 274 T CB 0.403 69.303 68.868 0.053 0.000 1.136 274 T HN 0.509 nan 8.240 nan 0.000 0.506 275 A N 2.081 124.911 122.820 0.016 0.000 2.351 275 A HA 0.614 4.934 4.320 0.001 0.000 0.257 275 A C 0.514 178.080 177.584 -0.031 0.000 1.087 275 A CA -0.331 51.704 52.037 -0.004 0.000 0.798 275 A CB -0.283 18.713 19.000 -0.007 0.000 1.033 275 A HN 1.145 nan 8.150 nan 0.000 0.488 276 V N 1.598 121.486 119.914 -0.045 0.000 3.683 276 V HA -0.162 3.958 4.120 0.001 0.000 0.493 276 V C -0.180 175.890 176.094 -0.040 0.000 0.682 276 V CA 0.629 62.893 62.300 -0.060 0.000 2.008 276 V CB -1.747 30.019 31.823 -0.096 0.000 2.427 276 V HN 0.960 nan 8.190 nan 0.000 0.505 277 Q N 3.020 122.803 119.800 -0.029 0.000 2.257 277 Q HA 0.620 4.960 4.340 0.001 0.000 0.255 277 Q C -0.129 175.868 176.000 -0.006 0.000 0.920 277 Q CA -0.901 54.895 55.803 -0.011 0.000 0.927 277 Q CB 2.357 31.088 28.738 -0.011 0.000 1.229 277 Q HN 0.746 nan 8.270 nan 0.000 0.433 278 L N 2.367 123.593 121.223 0.005 0.000 2.349 278 L HA 0.291 4.631 4.340 0.001 0.000 0.275 278 L C -0.475 176.410 176.870 0.025 0.000 1.115 278 L CA 0.512 55.359 54.840 0.012 0.000 0.820 278 L CB 0.829 42.896 42.059 0.012 0.000 1.135 278 L HN 0.688 nan 8.230 nan 0.000 0.445 279 S N 4.486 120.205 115.700 0.032 0.000 2.697 279 S HA 0.883 5.353 4.470 0.001 0.000 0.289 279 S C -0.850 173.796 174.600 0.076 0.000 1.149 279 S CA -0.996 57.236 58.200 0.054 0.000 0.850 279 S CB 1.439 64.672 63.200 0.054 0.000 1.151 279 S HN 0.719 nan 8.310 nan 0.000 0.491 280 L N -1.955 119.338 121.223 0.118 0.000 2.354 280 L HA 1.086 5.426 4.340 0.001 0.000 0.264 280 L C -0.026 176.951 176.870 0.178 0.000 1.008 280 L CA -0.683 54.276 54.840 0.198 0.000 0.819 280 L CB 1.607 43.855 42.059 0.316 0.000 1.339 280 L HN 1.108 nan 8.230 nan 0.000 0.420 281 G N -0.051 108.852 108.800 0.171 0.000 2.576 281 G HA2 0.638 4.599 3.960 0.001 0.000 0.290 281 G HA3 0.638 4.599 3.960 0.001 0.000 0.290 281 G C -3.375 171.558 174.900 0.055 0.000 1.442 281 G CA -0.966 44.194 45.100 0.098 0.000 0.792 281 G HN 0.497 nan 8.290 nan 0.000 0.491 282 P HA 0.528 nan 4.420 nan 0.000 0.277 282 P C -0.857 176.440 177.300 -0.004 0.000 1.240 282 P CA -0.281 62.813 63.100 -0.011 0.000 0.798 282 P CB 1.372 33.059 31.700 -0.021 0.000 0.979 283 M N 1.513 121.102 119.600 -0.017 0.000 2.267 283 M HA 0.675 5.156 4.480 0.001 0.000 0.289 283 M C -0.585 175.710 176.300 -0.008 0.000 1.043 283 M CA -0.212 55.086 55.300 -0.004 0.000 0.928 283 M CB 2.598 35.201 32.600 0.004 0.000 1.613 283 M HN 0.504 nan 8.290 nan 0.000 0.450 284 A N 2.075 124.899 122.820 0.006 0.000 2.493 284 A HA 0.661 4.982 4.320 0.001 0.000 0.300 284 A C -0.348 177.256 177.584 0.032 0.000 1.152 284 A CA -0.723 51.319 52.037 0.009 0.000 0.643 284 A CB 1.312 20.307 19.000 -0.009 0.000 1.316 284 A HN 0.862 nan 8.150 nan 0.000 0.469 285 R N -0.361 120.162 120.500 0.039 0.000 2.254 285 R HA 0.127 4.468 4.340 0.001 0.000 0.195 285 R C -0.739 175.592 176.300 0.051 0.000 0.957 285 R CA 1.386 57.521 56.100 0.058 0.000 1.024 285 R CB 0.028 30.369 30.300 0.069 0.000 0.952 285 R HN 0.844 nan 8.270 nan 0.000 0.484 286 D N -1.949 118.475 120.400 0.040 0.000 2.559 286 D HA 0.067 4.708 4.640 0.001 0.000 0.250 286 D C 0.672 176.995 176.300 0.038 0.000 1.135 286 D CA -0.771 53.253 54.000 0.040 0.000 0.955 286 D CB 1.254 42.080 40.800 0.044 0.000 1.442 286 D HN -0.193 nan 8.370 nan 0.000 0.471 287 V N -1.113 118.831 119.914 0.051 0.000 2.809 287 V HA -0.071 4.049 4.120 0.001 0.000 0.256 287 V C 1.383 177.529 176.094 0.087 0.000 1.080 287 V CA 1.358 63.698 62.300 0.067 0.000 1.102 287 V CB -0.696 31.177 31.823 0.085 0.000 0.705 287 V HN 0.513 nan 8.190 nan 0.000 0.475 288 E N 1.574 121.836 120.200 0.104 0.000 2.110 288 E HA -0.097 4.254 4.350 0.001 0.000 0.193 288 E C 2.387 178.993 176.600 0.010 0.000 0.988 288 E CA 1.787 58.255 56.400 0.113 0.000 0.804 288 E CB -0.339 29.430 29.700 0.116 0.000 0.745 288 E HN 0.758 nan 8.360 nan 0.000 0.458 289 S N 0.488 116.188 115.700 -0.000 0.000 2.383 289 S HA -0.074 4.397 4.470 0.001 0.000 0.227 289 S C 1.948 176.508 174.600 -0.066 0.000 1.026 289 S CA 0.718 58.898 58.200 -0.034 0.000 0.981 289 S CB -0.211 62.977 63.200 -0.020 0.000 0.818 289 S HN 0.175 nan 8.310 nan 0.000 0.472 290 L N 1.338 122.531 121.223 -0.051 0.000 2.046 290 L HA -0.079 4.261 4.340 0.001 0.000 0.208 290 L C 2.874 179.670 176.870 -0.124 0.000 1.077 290 L CA 1.204 56.008 54.840 -0.059 0.000 0.747 290 L CB -0.853 41.196 42.059 -0.017 0.000 0.896 290 L HN 0.338 nan 8.230 nan 0.000 0.432 291 A N -0.014 122.687 122.820 -0.199 0.000 1.930 291 A HA -0.152 4.168 4.320 0.001 0.000 0.217 291 A C 2.334 179.567 177.584 -0.585 0.000 1.175 291 A CA 1.249 53.016 52.037 -0.451 0.000 0.627 291 A CB -0.588 17.985 19.000 -0.713 0.000 0.815 291 A HN 0.353 nan 8.150 nan 0.000 0.443 292 L N -0.833 120.188 121.223 -0.337 0.000 2.027 292 L HA -0.210 4.130 4.340 0.001 0.000 0.206 292 L C 2.798 179.522 176.870 -0.244 0.000 1.074 292 L CA 1.775 56.449 54.840 -0.276 0.000 0.745 292 L CB -0.422 41.550 42.059 -0.146 0.000 0.898 292 L HN 0.647 nan 8.230 nan 0.000 0.433 293 C N 0.025 119.217 119.300 -0.180 0.000 2.432 293 C HA -0.189 4.271 4.460 0.001 0.000 0.277 293 C C 2.763 177.676 174.990 -0.129 0.000 1.249 293 C CA 0.622 59.563 59.018 -0.129 0.000 1.725 293 C CB -0.870 26.815 27.740 -0.092 0.000 2.028 293 C HN 0.465 nan 8.230 nan 0.000 0.477 294 L N 0.581 121.715 121.223 -0.148 0.000 2.046 294 L HA -0.164 4.176 4.340 0.001 0.000 0.208 294 L C 2.728 179.511 176.870 -0.146 0.000 1.077 294 L CA 2.182 56.978 54.840 -0.073 0.000 0.747 294 L CB -0.771 41.323 42.059 0.057 0.000 0.896 294 L HN 0.466 nan 8.230 nan 0.000 0.432 295 K N 0.010 120.119 120.400 -0.485 0.000 2.057 295 K HA -0.183 4.138 4.320 0.001 0.000 0.207 295 K C 2.008 178.504 176.600 -0.173 0.000 1.049 295 K CA 1.444 57.464 56.287 -0.445 0.000 0.931 295 K CB -0.035 32.078 32.500 -0.645 0.000 0.714 295 K HN 0.286 nan 8.250 nan 0.000 0.440 296 A N 0.690 123.415 122.820 -0.158 0.000 1.929 296 A HA -0.014 4.306 4.320 0.001 0.000 0.216 296 A C 2.029 179.569 177.584 -0.074 0.000 1.176 296 A CA 0.922 52.904 52.037 -0.092 0.000 0.628 296 A CB -0.417 18.535 19.000 -0.080 0.000 0.816 296 A HN 0.299 nan 8.150 nan 0.000 0.444 297 L N -0.617 120.562 121.223 -0.072 0.000 2.217 297 L HA -0.019 4.321 4.340 0.001 0.000 0.211 297 L C 0.259 177.053 176.870 -0.127 0.000 1.107 297 L CA 0.166 54.967 54.840 -0.066 0.000 0.783 297 L CB -0.183 41.863 42.059 -0.021 0.000 0.919 297 L HN 0.200 nan 8.230 nan 0.000 0.442 298 L N 1.216 122.394 121.223 -0.076 0.000 2.536 298 L HA 0.130 4.470 4.340 0.001 0.000 0.242 298 L C 0.172 176.930 176.870 -0.186 0.000 1.280 298 L CA -0.194 54.596 54.840 -0.084 0.000 1.221 298 L CB -1.012 41.195 42.059 0.247 0.000 1.449 298 L HN 0.301 nan 8.230 nan 0.000 0.405 299 C N -2.611 116.404 119.300 -0.474 0.000 2.973 299 C HA 0.822 5.283 4.460 0.001 0.000 0.329 299 C C 1.714 176.420 174.990 -0.474 0.000 1.327 299 C CA -0.082 58.751 59.018 -0.308 0.000 1.632 299 C CB 1.315 28.947 27.740 -0.179 0.000 2.098 299 C HN 0.572 nan 8.230 nan 0.000 0.469 300 E N -0.960 119.107 120.200 -0.221 0.000 2.268 300 E HA -0.142 4.209 4.350 0.001 0.000 0.195 300 E C 1.637 178.159 176.600 -0.129 0.000 0.995 300 E CA 1.816 58.153 56.400 -0.105 0.000 0.836 300 E CB -0.957 28.689 29.700 -0.090 0.000 0.763 300 E HN 0.857 nan 8.360 nan 0.000 0.491 301 H N -0.508 118.501 119.070 -0.102 0.000 2.293 301 H HA -0.045 4.512 4.556 0.001 0.000 0.300 301 H C 2.367 177.630 175.328 -0.108 0.000 1.082 301 H CA 1.653 57.652 56.048 -0.083 0.000 1.308 301 H CB -0.601 29.114 29.762 -0.079 0.000 1.375 301 H HN 0.404 nan 8.280 nan 0.000 0.495 302 L N 0.408 121.570 121.223 -0.102 0.000 2.083 302 L HA -0.147 4.193 4.340 0.001 0.000 0.209 302 L C 1.559 178.374 176.870 -0.090 0.000 1.083 302 L CA 1.310 56.042 54.840 -0.179 0.000 0.752 302 L CB -0.408 41.444 42.059 -0.344 0.000 0.899 302 L HN -0.007 nan 8.230 nan 0.000 0.433 303 F N -1.416 118.561 119.950 0.045 0.000 2.811 303 F HA 0.083 4.611 4.527 0.001 0.000 0.301 303 F C 2.009 177.822 175.800 0.020 0.000 1.151 303 F CA 0.578 58.592 58.000 0.024 0.000 1.412 303 F CB -1.288 37.715 39.000 0.005 0.000 1.113 303 F HN 0.027 nan 8.300 nan 0.000 0.579 304 T N -0.888 113.759 114.554 0.155 0.000 3.056 304 T HA 0.231 4.581 4.350 0.001 0.000 0.241 304 T C 0.873 175.624 174.700 0.085 0.000 1.006 304 T CA 0.024 62.189 62.100 0.108 0.000 1.115 304 T CB -0.077 68.844 68.868 0.088 0.000 0.939 304 T HN -0.099 nan 8.240 nan 0.000 0.462 305 L N 3.549 124.817 121.223 0.075 0.000 2.462 305 L HA 0.290 4.631 4.340 0.001 0.000 0.283 305 L C -0.490 176.420 176.870 0.066 0.000 1.166 305 L CA -0.025 54.848 54.840 0.055 0.000 0.964 305 L CB -0.511 41.569 42.059 0.036 0.000 1.294 305 L HN 0.223 nan 8.230 nan 0.000 0.449 306 D N 2.261 122.701 120.400 0.068 0.000 3.653 306 D HA -0.080 4.560 4.640 0.001 0.000 0.247 306 D C -1.875 174.489 176.300 0.106 0.000 1.025 306 D CA -0.286 53.762 54.000 0.080 0.000 1.053 306 D CB 0.139 40.991 40.800 0.086 0.000 0.932 306 D HN 0.231 nan 8.370 nan 0.000 0.414 307 P HA -0.086 nan 4.420 nan 0.000 0.231 307 P C 1.374 178.706 177.300 0.053 0.000 1.158 307 P CA 1.574 64.717 63.100 0.070 0.000 0.763 307 P CB 0.090 31.816 31.700 0.043 0.000 0.805 308 T N -4.702 109.889 114.554 0.062 0.000 3.067 308 T HA 0.044 4.395 4.350 0.001 0.000 0.261 308 T C 0.772 175.511 174.700 0.066 0.000 1.110 308 T CA 0.078 62.209 62.100 0.052 0.000 1.113 308 T CB -0.848 68.052 68.868 0.054 0.000 0.917 308 T HN -0.182 nan 8.240 nan 0.000 0.499 309 V N 4.675 124.650 119.914 0.103 0.000 2.572 309 V HA 0.273 4.394 4.120 0.001 0.000 0.291 309 V C -2.003 174.095 176.094 0.008 0.000 1.039 309 V CA -2.079 60.298 62.300 0.128 0.000 1.055 309 V CB 0.354 32.328 31.823 0.252 0.000 0.969 309 V HN 0.340 nan 8.190 nan 0.000 0.482 310 P HA 0.174 nan 4.420 nan 0.000 0.271 310 P C -2.467 174.514 177.300 -0.530 0.000 1.226 310 P CA -1.597 61.322 63.100 -0.301 0.000 0.765 310 P CB 0.188 31.626 31.700 -0.436 0.000 0.835 311 P HA 0.157 nan 4.420 nan 0.000 0.226 311 P C -0.314 176.347 177.300 -1.065 0.000 1.783 311 P CA 0.000 62.101 63.100 -1.666 0.000 0.980 311 P CB -0.164 30.952 31.700 -0.973 0.000 1.967 312 L N 3.753 124.558 121.223 -0.696 0.000 2.315 312 L HA 0.306 4.646 4.340 0.001 0.000 0.283 312 L C -1.671 175.222 176.870 0.037 0.000 1.089 312 L CA -2.027 52.658 54.840 -0.257 0.000 0.833 312 L CB 0.354 42.312 42.059 -0.169 0.000 1.170 312 L HN 0.049 nan 8.230 nan 0.000 0.442 313 P HA -0.024 nan 4.420 nan 0.000 0.275 313 P C -0.484 176.933 177.300 0.193 0.000 1.228 313 P CA -0.376 62.854 63.100 0.217 0.000 0.786 313 P CB 0.537 32.323 31.700 0.143 0.000 0.927 314 F N 3.725 123.740 119.950 0.108 0.000 2.546 314 F HA -0.002 4.525 4.527 0.001 0.000 0.388 314 F C 1.051 176.890 175.800 0.065 0.000 1.051 314 F CA 0.148 58.190 58.000 0.070 0.000 1.130 314 F CB 0.210 39.232 39.000 0.036 0.000 1.044 314 F HN 0.150 nan 8.300 nan 0.000 0.553 315 R N 5.394 125.750 120.500 -0.240 0.000 2.248 315 R HA 0.010 4.351 4.340 0.001 0.000 0.337 315 R C 1.018 177.275 176.300 -0.072 0.000 1.085 315 R CA -0.172 55.863 56.100 -0.108 0.000 0.934 315 R CB 0.775 31.007 30.300 -0.113 0.000 1.034 315 R HN 0.711 nan 8.270 nan 0.000 0.465 316 E N 2.993 123.288 120.200 0.158 0.000 2.107 316 E HA -0.197 4.154 4.350 0.001 0.000 0.191 316 E C 1.562 178.286 176.600 0.207 0.000 0.982 316 E CA 1.429 58.011 56.400 0.303 0.000 0.809 316 E CB 0.304 30.177 29.700 0.288 0.000 0.756 316 E HN 0.580 nan 8.360 nan 0.000 0.459 317 E N 0.411 120.676 120.200 0.108 0.000 2.110 317 E HA -0.159 4.192 4.350 0.001 0.000 0.193 317 E C 2.116 178.744 176.600 0.047 0.000 0.988 317 E CA 1.447 57.886 56.400 0.065 0.000 0.804 317 E CB -0.644 29.079 29.700 0.040 0.000 0.745 317 E HN 0.269 nan 8.360 nan 0.000 0.458 318 V N 0.765 120.699 119.914 0.034 0.000 2.307 318 V HA -0.247 3.873 4.120 0.001 0.000 0.245 318 V C 2.403 178.536 176.094 0.065 0.000 1.045 318 V CA 1.886 64.197 62.300 0.019 0.000 1.024 318 V CB -0.956 30.850 31.823 -0.029 0.000 0.651 318 V HN 0.231 nan 8.190 nan 0.000 0.449 319 Y N 1.331 121.609 120.300 -0.036 0.000 2.242 319 Y HA -0.119 4.431 4.550 0.001 0.000 0.291 319 Y C 2.532 178.485 175.900 0.087 0.000 1.137 319 Y CA 1.538 59.665 58.100 0.044 0.000 1.181 319 Y CB -0.123 38.423 38.460 0.143 0.000 0.989 319 Y HN 0.029 nan 8.280 nan 0.000 0.527 320 R N 0.299 120.735 120.500 -0.107 0.000 2.297 320 R HA 0.056 4.397 4.340 0.001 0.000 0.197 320 R C 1.017 177.252 176.300 -0.108 0.000 0.943 320 R CA 0.534 56.518 56.100 -0.193 0.000 1.038 320 R CB -0.400 29.878 30.300 -0.036 0.000 0.957 320 R HN 0.211 nan 8.270 nan 0.000 0.484 321 S N 1.040 116.709 115.700 -0.052 0.000 2.558 321 S HA -0.041 4.429 4.470 0.001 0.000 0.291 321 S C 1.186 175.775 174.600 -0.018 0.000 1.306 321 S CA 0.278 58.466 58.200 -0.019 0.000 1.056 321 S CB 0.639 63.841 63.200 0.003 0.000 0.836 321 S HN 0.399 nan 8.310 nan 0.000 0.504 322 S N 2.351 118.051 115.700 0.001 0.000 2.603 322 S HA 0.290 4.761 4.470 0.001 0.000 0.232 322 S C 0.803 175.425 174.600 0.036 0.000 1.016 322 S CA 0.187 58.398 58.200 0.018 0.000 0.976 322 S CB -0.238 62.964 63.200 0.003 0.000 0.921 322 S HN 1.072 nan 8.310 nan 0.000 0.516 323 R N 3.350 123.868 120.500 0.030 0.000 2.537 323 R HA 0.443 4.783 4.340 0.001 0.000 0.281 323 R C -2.398 173.941 176.300 0.065 0.000 0.988 323 R CA -0.802 55.316 56.100 0.029 0.000 1.077 323 R CB -1.639 28.673 30.300 0.020 0.000 0.932 323 R HN 0.541 nan 8.270 nan 0.000 0.409 324 P HA 0.200 nan 4.420 nan 0.000 0.269 324 P C -0.773 176.616 177.300 0.149 0.000 1.215 324 P CA -0.162 62.991 63.100 0.088 0.000 0.780 324 P CB 0.566 32.229 31.700 -0.061 0.000 0.898 325 L N 2.313 123.724 121.223 0.312 0.000 2.334 325 L HA 0.497 4.837 4.340 0.001 0.000 0.273 325 L C 0.990 177.881 176.870 0.034 0.000 1.013 325 L CA -1.010 53.888 54.840 0.095 0.000 0.816 325 L CB 1.434 43.470 42.059 -0.038 0.000 1.278 325 L HN 0.181 nan 8.230 nan 0.000 0.431 326 R N 1.955 122.418 120.500 -0.062 0.000 2.216 326 R HA 0.417 4.757 4.340 0.001 0.000 0.332 326 R C -1.130 175.036 176.300 -0.222 0.000 1.056 326 R CA -0.510 55.525 56.100 -0.109 0.000 0.901 326 R CB 0.962 31.187 30.300 -0.125 0.000 1.039 326 R HN 0.289 nan 8.270 nan 0.000 0.456 327 V N 2.802 122.604 119.914 -0.188 0.000 2.350 327 V HA 0.279 4.400 4.120 0.001 0.000 0.285 327 V C 0.831 176.826 176.094 -0.165 0.000 1.014 327 V CA -0.902 61.230 62.300 -0.280 0.000 0.831 327 V CB 1.551 33.227 31.823 -0.246 0.000 1.000 327 V HN 0.942 nan 8.190 nan 0.000 0.433 328 G N 4.257 112.867 108.800 -0.316 0.000 2.441 328 G HA2 0.388 4.349 3.960 0.001 0.000 0.243 328 G HA3 0.388 4.349 3.960 0.001 0.000 0.243 328 G C -0.822 174.130 174.900 0.087 0.000 1.281 328 G CA 0.153 45.149 45.100 -0.173 0.000 0.854 328 G HN 0.964 nan 8.290 nan 0.000 0.560 329 Y N 0.742 121.100 120.300 0.096 0.000 2.562 329 Y HA 0.727 5.278 4.550 0.001 0.000 0.345 329 Y C -1.164 174.892 175.900 0.260 0.000 1.045 329 Y CA -2.108 56.056 58.100 0.107 0.000 1.028 329 Y CB 1.478 39.974 38.460 0.061 0.000 1.297 329 Y HN 0.817 nan 8.280 nan 0.000 0.463 330 Y N -0.460 119.924 120.300 0.139 0.000 2.588 330 Y HA 0.642 5.193 4.550 0.001 0.000 0.343 330 Y C -0.089 175.964 175.900 0.255 0.000 1.065 330 Y CA -1.302 56.839 58.100 0.067 0.000 1.038 330 Y CB 2.073 40.565 38.460 0.053 0.000 1.297 330 Y HN 0.744 nan 8.280 nan 0.000 0.467 331 E N 0.193 120.643 120.200 0.415 0.000 2.364 331 E HA 0.109 4.459 4.350 0.001 0.000 0.196 331 E C -0.251 176.577 176.600 0.379 0.000 0.990 331 E CA 0.745 57.345 56.400 0.333 0.000 0.886 331 E CB 0.673 30.549 29.700 0.293 0.000 0.866 331 E HN 0.694 nan 8.360 nan 0.000 0.493 332 T N -0.420 114.451 114.554 0.529 0.000 2.942 332 T HA 0.066 4.416 4.350 0.001 0.000 0.327 332 T C -1.010 174.020 174.700 0.549 0.000 1.360 332 T CA -0.628 61.827 62.100 0.591 0.000 1.055 332 T CB 1.367 70.506 68.868 0.451 0.000 1.261 332 T HN 0.022 nan 8.240 nan 0.000 0.485 333 D N 2.011 122.683 120.400 0.455 0.000 2.339 333 D HA 0.105 4.746 4.640 0.001 0.000 0.217 333 D C 0.528 176.827 176.300 -0.001 0.000 1.050 333 D CA 0.075 54.107 54.000 0.054 0.000 0.856 333 D CB -0.801 39.910 40.800 -0.149 0.000 0.922 333 D HN 0.837 nan 8.370 nan 0.000 0.518 334 N N -1.887 116.837 118.700 0.041 0.000 2.741 334 N HA -0.303 4.438 4.740 0.001 0.000 0.250 334 N C -0.459 175.082 175.510 0.052 0.000 1.115 334 N CA 0.981 53.879 53.050 -0.253 0.000 0.724 334 N CB -1.629 36.676 38.487 -0.303 0.000 1.090 334 N HN 0.385 nan 8.380 nan 0.000 0.558 335 Y N -1.076 119.365 120.300 0.236 0.000 3.087 335 Y HA 0.237 4.787 4.550 0.001 0.000 0.227 335 Y C 0.313 176.498 175.900 0.474 0.000 1.015 335 Y CA 0.558 58.893 58.100 0.392 0.000 1.399 335 Y CB 0.942 39.474 38.460 0.119 0.000 1.483 335 Y HN -0.027 nan 8.280 nan 0.000 0.420 336 T N 3.520 118.361 114.554 0.478 0.000 2.767 336 T HA 0.305 4.655 4.350 0.001 0.000 0.284 336 T C -0.392 174.576 174.700 0.446 0.000 0.973 336 T CA -0.442 61.907 62.100 0.415 0.000 0.996 336 T CB 0.731 69.829 68.868 0.383 0.000 0.927 336 T HN 0.126 nan 8.240 nan 0.000 0.456 337 M N 5.159 124.843 119.600 0.140 0.000 2.217 337 M HA 0.221 4.701 4.480 0.001 0.000 0.352 337 M C -2.189 174.291 176.300 0.300 0.000 1.376 337 M CA -1.849 53.365 55.300 -0.144 0.000 1.107 337 M CB 0.847 32.913 32.600 -0.889 0.000 1.723 337 M HN 0.246 nan 8.290 nan 0.000 0.461 338 P HA 0.031 nan 4.420 nan 0.000 0.269 338 P C -0.868 176.622 177.300 0.317 0.000 1.209 338 P CA -0.166 63.100 63.100 0.276 0.000 0.776 338 P CB 0.352 32.173 31.700 0.202 0.000 0.876 339 S N 3.903 119.736 115.700 0.222 0.000 2.579 339 S HA 0.130 4.601 4.470 0.001 0.000 0.275 339 S C -1.445 173.224 174.600 0.114 0.000 1.345 339 S CA -0.818 57.472 58.200 0.149 0.000 1.031 339 S CB -0.424 62.785 63.200 0.015 0.000 0.892 339 S HN 0.373 nan 8.310 nan 0.000 0.529 340 P HA -0.177 nan 4.420 nan 0.000 0.216 340 P C 1.417 178.736 177.300 0.031 0.000 1.150 340 P CA 1.873 65.011 63.100 0.063 0.000 0.843 340 P CB -0.309 31.423 31.700 0.054 0.000 0.787 341 A N -0.810 122.016 122.820 0.010 0.000 1.930 341 A HA -0.140 4.180 4.320 0.001 0.000 0.217 341 A C 2.389 179.963 177.584 -0.016 0.000 1.175 341 A CA 1.738 53.767 52.037 -0.014 0.000 0.627 341 A CB -1.377 17.600 19.000 -0.038 0.000 0.815 341 A HN 0.094 nan 8.150 nan 0.000 0.443 342 M N -1.292 118.305 119.600 -0.006 0.000 2.108 342 M HA -0.173 4.307 4.480 0.001 0.000 0.261 342 M C 2.376 178.672 176.300 -0.007 0.000 1.066 342 M CA 2.060 57.348 55.300 -0.020 0.000 1.107 342 M CB -0.190 32.400 32.600 -0.017 0.000 1.356 342 M HN 0.513 nan 8.290 nan 0.000 0.406 343 R N -0.258 120.260 120.500 0.030 0.000 2.075 343 R HA -0.101 4.239 4.340 0.001 0.000 0.232 343 R C 2.344 178.661 176.300 0.028 0.000 1.126 343 R CA 1.349 57.478 56.100 0.049 0.000 0.963 343 R CB -0.148 30.196 30.300 0.073 0.000 0.858 343 R HN 0.230 nan 8.270 nan 0.000 0.435 344 R N -0.006 120.504 120.500 0.016 0.000 2.073 344 R HA -0.106 4.235 4.340 0.001 0.000 0.234 344 R C 2.169 178.463 176.300 -0.011 0.000 1.134 344 R CA 1.552 57.654 56.100 0.004 0.000 0.952 344 R CB -0.342 29.958 30.300 0.000 0.000 0.850 344 R HN 0.335 nan 8.270 nan 0.000 0.433 345 A N 1.432 124.239 122.820 -0.020 0.000 1.877 345 A HA -0.167 4.154 4.320 0.001 0.000 0.216 345 A C 2.121 179.683 177.584 -0.037 0.000 1.186 345 A CA 1.030 53.046 52.037 -0.035 0.000 0.620 345 A CB -0.646 18.326 19.000 -0.047 0.000 0.822 345 A HN 0.314 nan 8.150 nan 0.000 0.443 346 L N -0.325 120.880 121.223 -0.028 0.000 2.027 346 L HA -0.102 4.239 4.340 0.001 0.000 0.206 346 L C 2.348 179.204 176.870 -0.024 0.000 1.074 346 L CA 1.990 56.817 54.840 -0.021 0.000 0.745 346 L CB -0.777 41.282 42.059 0.001 0.000 0.898 346 L HN 0.446 nan 8.230 nan 0.000 0.433 347 I N -0.008 120.554 120.570 -0.014 0.000 2.315 347 I HA -0.298 3.873 4.170 0.001 0.000 0.248 347 I C 2.471 178.557 176.117 -0.052 0.000 1.117 347 I CA 1.048 62.327 61.300 -0.035 0.000 1.404 347 I CB -0.010 37.989 38.000 -0.003 0.000 1.071 347 I HN 0.349 nan 8.210 nan 0.000 0.419 348 E N -0.112 120.066 120.200 -0.037 0.000 2.072 348 E HA -0.232 4.118 4.350 0.001 0.000 0.191 348 E C 2.206 178.780 176.600 -0.043 0.000 0.985 348 E CA 1.980 58.358 56.400 -0.036 0.000 0.801 348 E CB -0.080 29.603 29.700 -0.028 0.000 0.750 348 E HN 0.572 nan 8.360 nan 0.000 0.452 349 T N -0.305 114.219 114.554 -0.050 0.000 2.904 349 T HA -0.113 4.238 4.350 0.001 0.000 0.267 349 T C 1.863 176.536 174.700 -0.046 0.000 1.059 349 T CA 0.953 63.021 62.100 -0.053 0.000 1.137 349 T CB -0.024 68.798 68.868 -0.076 0.000 0.879 349 T HN -0.054 nan 8.240 nan 0.000 0.467 350 K N 0.752 121.108 120.400 -0.074 0.000 2.103 350 K HA -0.204 4.117 4.320 0.001 0.000 0.207 350 K C 2.489 179.025 176.600 -0.107 0.000 1.048 350 K CA 1.709 57.916 56.287 -0.134 0.000 0.930 350 K CB -0.252 32.066 32.500 -0.303 0.000 0.716 350 K HN 0.507 nan 8.250 nan 0.000 0.444 351 Q N -0.327 119.425 119.800 -0.080 0.000 2.079 351 Q HA -0.054 4.287 4.340 0.001 0.000 0.200 351 Q C 2.174 178.163 176.000 -0.020 0.000 0.974 351 Q CA 1.156 56.929 55.803 -0.051 0.000 0.840 351 Q CB 0.147 28.860 28.738 -0.041 0.000 0.898 351 Q HN 0.174 nan 8.270 nan 0.000 0.430 352 R N 0.046 120.539 120.500 -0.012 0.000 2.115 352 R HA -0.048 4.292 4.340 0.001 0.000 0.226 352 R C 2.156 178.486 176.300 0.050 0.000 1.100 352 R CA 0.819 56.925 56.100 0.009 0.000 0.980 352 R CB -0.353 29.946 30.300 -0.002 0.000 0.875 352 R HN 0.314 nan 8.270 nan 0.000 0.445 353 L N 0.387 121.652 121.223 0.069 0.000 2.217 353 L HA -0.087 4.253 4.340 0.001 0.000 0.211 353 L C 2.192 179.180 176.870 0.197 0.000 1.107 353 L CA 1.094 56.047 54.840 0.189 0.000 0.783 353 L CB -0.231 41.919 42.059 0.151 0.000 0.919 353 L HN 0.143 nan 8.230 nan 0.000 0.442 354 E N 0.059 120.304 120.200 0.076 0.000 2.072 354 E HA -0.191 4.159 4.350 0.001 0.000 0.191 354 E C 2.347 178.956 176.600 0.015 0.000 0.985 354 E CA 1.072 57.493 56.400 0.035 0.000 0.801 354 E CB -0.113 29.586 29.700 -0.002 0.000 0.750 354 E HN 0.477 nan 8.360 nan 0.000 0.452 355 A N 1.139 123.968 122.820 0.015 0.000 1.908 355 A HA -0.143 4.177 4.320 0.001 0.000 0.218 355 A C 2.299 179.880 177.584 -0.006 0.000 1.181 355 A CA 1.739 53.778 52.037 0.003 0.000 0.627 355 A CB -0.590 18.413 19.000 0.005 0.000 0.818 355 A HN 0.304 nan 8.150 nan 0.000 0.445 356 A N -2.393 120.438 122.820 0.018 0.000 2.167 356 A HA 0.385 4.705 4.320 0.001 0.000 0.214 356 A C 1.834 179.298 177.584 -0.201 0.000 1.151 356 A CA 1.511 53.535 52.037 -0.021 0.000 0.735 356 A CB -0.633 18.432 19.000 0.109 0.000 0.802 356 A HN 1.830 nan 8.150 nan 0.000 0.467 357 G N -2.001 106.682 108.800 -0.195 0.000 2.255 357 G HA2 -0.156 3.804 3.960 0.001 0.000 0.196 357 G HA3 -0.156 3.804 3.960 0.001 0.000 0.196 357 G C -0.007 174.739 174.900 -0.256 0.000 0.998 357 G CA 0.043 44.999 45.100 -0.241 0.000 0.656 357 G HN 0.702 nan 8.290 nan 0.000 0.490 358 H N 1.362 120.437 119.070 0.008 0.000 2.764 358 H HA 0.517 5.074 4.556 0.001 0.000 0.341 358 H C 0.816 176.141 175.328 -0.005 0.000 1.072 358 H CA 0.929 56.979 56.048 0.004 0.000 1.444 358 H CB 1.166 30.944 29.762 0.026 0.000 1.458 358 H HN 0.176 nan 8.280 nan 0.000 0.572 359 T N 3.761 118.369 114.554 0.090 0.000 2.832 359 T HA 0.206 4.557 4.350 0.001 0.000 0.296 359 T C -0.364 174.368 174.700 0.052 0.000 0.968 359 T CA -0.862 61.267 62.100 0.048 0.000 1.107 359 T CB 0.081 68.961 68.868 0.019 0.000 0.916 359 T HN 0.282 nan 8.240 nan 0.000 0.517 360 L N 6.399 127.661 121.223 0.065 0.000 2.318 360 L HA 0.500 4.841 4.340 0.001 0.000 0.277 360 L C -0.496 176.504 176.870 0.217 0.000 1.008 360 L CA -0.559 54.349 54.840 0.114 0.000 0.846 360 L CB 1.049 43.120 42.059 0.019 0.000 1.220 360 L HN 0.741 nan 8.230 nan 0.000 0.423 361 I N 5.599 126.295 120.570 0.209 0.000 2.359 361 I HA 0.352 4.522 4.170 0.001 0.000 0.294 361 I C -2.086 174.101 176.117 0.117 0.000 0.987 361 I CA -2.017 59.380 61.300 0.161 0.000 1.225 361 I CB 1.293 39.317 38.000 0.040 0.000 1.366 361 I HN 0.351 nan 8.210 nan 0.000 0.466 362 P HA 0.064 nan 4.420 nan 0.000 0.262 362 P C -1.043 176.196 177.300 -0.103 0.000 1.199 362 P CA 0.346 63.199 63.100 -0.411 0.000 0.763 362 P CB 0.054 31.623 31.700 -0.219 0.000 0.790 363 F N 5.360 125.145 119.950 -0.275 0.000 2.607 363 F HA 0.531 5.058 4.527 0.001 0.000 0.322 363 F C -1.895 173.888 175.800 -0.029 0.000 1.176 363 F CA -1.057 56.873 58.000 -0.118 0.000 0.977 363 F CB 1.190 40.121 39.000 -0.115 0.000 1.242 363 F HN 0.077 nan 8.300 nan 0.000 0.465 364 L N 8.641 129.504 121.223 -0.600 0.000 2.381 364 L HA 0.743 5.084 4.340 0.001 0.000 0.274 364 L C -2.628 173.775 176.870 -0.779 0.000 0.988 364 L CA -1.892 52.577 54.840 -0.617 0.000 0.824 364 L CB 1.726 43.504 42.059 -0.467 0.000 1.263 364 L HN 0.369 nan 8.230 nan 0.000 0.410 365 P HA 0.126 nan 4.420 nan 0.000 0.264 365 P C -1.252 175.906 177.300 -0.236 0.000 1.193 365 P CA -0.010 62.887 63.100 -0.337 0.000 0.763 365 P CB 0.176 31.835 31.700 -0.070 0.000 0.810 366 N N 1.916 120.519 118.700 -0.161 0.000 2.416 366 N HA -0.032 4.708 4.740 0.001 0.000 0.246 366 N C -0.260 175.296 175.510 0.076 0.000 1.260 366 N CA -0.380 52.629 53.050 -0.068 0.000 0.897 366 N CB -0.440 38.016 38.487 -0.051 0.000 1.110 366 N HN 0.289 nan 8.380 nan 0.000 0.439 367 N N -0.521 118.189 118.700 0.016 0.000 2.727 367 N HA -0.205 4.535 4.740 0.001 0.000 0.249 367 N C 0.162 175.674 175.510 0.004 0.000 1.048 367 N CA 0.697 53.762 53.050 0.024 0.000 0.714 367 N CB -1.112 37.380 38.487 0.009 0.000 0.959 367 N HN 0.570 nan 8.380 nan 0.000 0.544 368 I N 0.131 120.676 120.570 -0.042 0.000 2.113 368 I HA -0.251 3.919 4.170 0.001 0.000 0.242 368 I C -0.489 175.524 176.117 -0.174 0.000 1.064 368 I CA 1.695 62.918 61.300 -0.128 0.000 1.320 368 I CB -0.940 36.961 38.000 -0.166 0.000 1.028 368 I HN 0.216 nan 8.210 nan 0.000 0.406 369 P HA -0.241 nan 4.420 nan 0.000 0.216 369 P C 1.591 178.866 177.300 -0.042 0.000 1.153 369 P CA 1.578 64.677 63.100 -0.002 0.000 0.858 369 P CB -0.172 31.643 31.700 0.191 0.000 0.789 370 Y N 0.584 120.790 120.300 -0.157 0.000 2.165 370 Y HA -0.213 4.337 4.550 0.001 0.000 0.286 370 Y C 2.382 178.087 175.900 -0.326 0.000 1.155 370 Y CA 1.813 59.793 58.100 -0.201 0.000 1.164 370 Y CB -0.976 37.367 38.460 -0.196 0.000 0.978 370 Y HN -0.117 nan 8.280 nan 0.000 0.513 371 A N -0.017 122.559 122.820 -0.407 0.000 1.898 371 A HA -0.119 4.202 4.320 0.001 0.000 0.216 371 A C 2.216 179.527 177.584 -0.454 0.000 1.181 371 A CA 1.815 53.472 52.037 -0.634 0.000 0.620 371 A CB -1.038 17.510 19.000 -0.754 0.000 0.819 371 A HN 0.532 nan 8.150 nan 0.000 0.442 372 L N -1.108 119.879 121.223 -0.394 0.000 2.044 372 L HA -0.116 4.224 4.340 0.001 0.000 0.205 372 L C 2.505 179.224 176.870 -0.252 0.000 1.075 372 L CA 1.652 56.276 54.840 -0.360 0.000 0.747 372 L CB -0.612 41.127 42.059 -0.534 0.000 0.903 372 L HN 0.387 nan 8.230 nan 0.000 0.435 373 E N -0.365 119.708 120.200 -0.211 0.000 2.140 373 E HA -0.117 4.233 4.350 0.001 0.000 0.191 373 E C 2.175 178.703 176.600 -0.120 0.000 0.973 373 E CA 1.082 57.434 56.400 -0.081 0.000 0.829 373 E CB 0.191 29.898 29.700 0.012 0.000 0.781 373 E HN 0.366 nan 8.360 nan 0.000 0.466 374 V N 0.112 119.861 119.914 -0.275 0.000 2.436 374 V HA -0.036 4.084 4.120 0.001 0.000 0.240 374 V C 1.848 177.729 176.094 -0.354 0.000 1.040 374 V CA 0.859 62.956 62.300 -0.339 0.000 1.052 374 V CB -0.217 31.344 31.823 -0.436 0.000 0.707 374 V HN 0.148 nan 8.190 nan 0.000 0.469 375 L N 0.449 121.384 121.223 -0.480 0.000 2.095 375 L HA 0.034 4.374 4.340 0.001 0.000 0.204 375 L C 2.758 179.480 176.870 -0.248 0.000 1.080 375 L CA 1.587 56.208 54.840 -0.365 0.000 0.759 375 L CB -0.762 41.037 42.059 -0.433 0.000 0.914 375 L HN 0.317 nan 8.230 nan 0.000 0.439 376 S N 0.314 115.862 115.700 -0.253 0.000 2.336 376 S HA -0.037 4.434 4.470 0.001 0.000 0.216 376 S C 2.204 176.706 174.600 -0.163 0.000 1.032 376 S CA 1.054 59.134 58.200 -0.199 0.000 0.973 376 S CB -0.308 62.767 63.200 -0.209 0.000 0.888 376 S HN 0.412 nan 8.310 nan 0.000 0.455 377 A N 1.034 123.786 122.820 -0.112 0.000 1.972 377 A HA 0.077 4.397 4.320 0.001 0.000 0.219 377 A C 2.093 179.670 177.584 -0.012 0.000 1.169 377 A CA 1.719 53.751 52.037 -0.009 0.000 0.635 377 A CB -0.949 18.133 19.000 0.135 0.000 0.810 377 A HN 0.534 nan 8.150 nan 0.000 0.446 378 G N -1.570 107.198 108.800 -0.054 0.000 2.796 378 G HA2 0.280 4.240 3.960 0.001 0.000 0.210 378 G HA3 0.280 4.240 3.960 0.001 0.000 0.210 378 G C 1.303 176.167 174.900 -0.059 0.000 1.146 378 G CA 0.963 46.045 45.100 -0.030 0.000 0.779 378 G HN 0.607 nan 8.290 nan 0.000 0.535 379 G N 1.254 109.992 108.800 -0.104 0.000 2.402 379 G HA2 -0.113 3.847 3.960 0.001 0.000 0.216 379 G HA3 -0.113 3.847 3.960 0.001 0.000 0.216 379 G C 1.655 176.463 174.900 -0.152 0.000 1.162 379 G CA 0.500 45.537 45.100 -0.104 0.000 0.777 379 G HN 0.392 nan 8.290 nan 0.000 0.539 380 L N -1.105 119.956 121.223 -0.271 0.000 2.313 380 L HA 0.245 4.585 4.340 0.001 0.000 0.214 380 L C 0.929 177.376 176.870 -0.705 0.000 1.119 380 L CA 0.395 54.921 54.840 -0.523 0.000 0.809 380 L CB 0.043 41.675 42.059 -0.712 0.000 0.933 380 L HN 0.098 nan 8.230 nan 0.000 0.449 381 F N -1.279 118.625 119.950 -0.077 0.000 2.841 381 F HA 0.197 4.725 4.527 0.001 0.000 0.358 381 F C 1.789 177.556 175.800 -0.056 0.000 1.261 381 F CA -0.556 57.394 58.000 -0.082 0.000 1.233 381 F CB -0.376 38.553 39.000 -0.119 0.000 1.008 381 F HN -0.129 nan 8.300 nan 0.000 0.507 382 S N -0.259 115.488 115.700 0.079 0.000 2.402 382 S HA -0.230 4.240 4.470 0.001 0.000 0.233 382 S C 1.587 176.222 174.600 0.058 0.000 1.030 382 S CA 1.793 60.024 58.200 0.051 0.000 1.003 382 S CB -0.263 62.954 63.200 0.027 0.000 0.813 382 S HN 0.602 nan 8.310 nan 0.000 0.477 383 D N 0.319 120.768 120.400 0.081 0.000 2.340 383 D HA 0.218 4.858 4.640 0.001 0.000 0.217 383 D C 1.212 177.552 176.300 0.068 0.000 1.081 383 D CA 0.554 54.596 54.000 0.070 0.000 0.842 383 D CB -0.546 40.300 40.800 0.076 0.000 0.934 383 D HN 0.435 nan 8.370 nan 0.000 0.511 384 G N 0.047 108.893 108.800 0.076 0.000 2.155 384 G HA2 -0.181 3.779 3.960 0.001 0.000 0.257 384 G HA3 -0.181 3.779 3.960 0.001 0.000 0.257 384 G C 1.180 176.078 174.900 -0.004 0.000 0.983 384 G CA 0.472 45.579 45.100 0.012 0.000 0.676 384 G HN 1.379 nan 8.290 nan 0.000 0.528 385 G N -2.162 106.720 108.800 0.137 0.000 2.176 385 G HA2 0.089 4.049 3.960 0.001 0.000 0.253 385 G HA3 0.089 4.049 3.960 0.001 0.000 0.253 385 G C 1.342 176.367 174.900 0.208 0.000 0.979 385 G CA 1.599 46.822 45.100 0.205 0.000 0.641 385 G HN 1.979 nan 8.290 nan 0.000 0.530 386 R N 0.585 121.161 120.500 0.126 0.000 2.105 386 R HA 0.150 4.490 4.340 0.001 0.000 0.239 386 R C 2.792 179.159 176.300 0.111 0.000 1.135 386 R CA 2.753 58.908 56.100 0.092 0.000 0.967 386 R CB -1.372 28.963 30.300 0.057 0.000 0.861 386 R HN 0.934 nan 8.270 nan 0.000 0.442 387 S N -0.026 115.756 115.700 0.137 0.000 2.368 387 S HA -0.061 4.409 4.470 0.001 0.000 0.224 387 S C 1.823 176.517 174.600 0.157 0.000 1.029 387 S CA 1.146 59.421 58.200 0.125 0.000 0.988 387 S CB -0.436 62.834 63.200 0.118 0.000 0.838 387 S HN 0.616 nan 8.310 nan 0.000 0.462 388 F N 2.212 122.218 119.950 0.094 0.000 2.186 388 F HA 0.102 4.629 4.527 0.000 0.000 0.299 388 F C 1.703 177.631 175.800 0.213 0.000 1.090 388 F CA 0.993 59.079 58.000 0.143 0.000 1.307 388 F CB -0.260 38.858 39.000 0.197 0.000 1.019 388 F HN 0.061 nan 8.300 nan 0.000 0.489 389 L N -0.107 121.196 121.223 0.133 0.000 2.376 389 L HA -0.139 4.201 4.340 0.001 0.000 0.219 389 L C 2.226 179.139 176.870 0.071 0.000 1.133 389 L CA 0.712 55.597 54.840 0.074 0.000 0.816 389 L CB -0.589 41.507 42.059 0.062 0.000 0.933 389 L HN 0.181 nan 8.230 nan 0.000 0.449 390 Q N 0.609 120.430 119.800 0.034 0.000 2.297 390 Q HA -0.186 4.154 4.340 0.001 0.000 0.208 390 Q C 1.428 177.401 176.000 -0.044 0.000 0.981 390 Q CA 1.433 57.239 55.803 0.005 0.000 0.876 390 Q CB -0.014 28.730 28.738 0.010 0.000 0.921 390 Q HN 0.530 nan 8.270 nan 0.000 0.446 391 N N -1.656 116.978 118.700 -0.109 0.000 2.412 391 N HA 0.034 4.775 4.740 0.001 0.000 0.184 391 N C 0.012 175.298 175.510 -0.374 0.000 1.101 391 N CA 0.440 53.334 53.050 -0.260 0.000 0.881 391 N CB 0.224 38.473 38.487 -0.397 0.000 0.969 391 N HN 0.176 nan 8.380 nan 0.000 0.459 392 F N 0.653 120.499 119.950 -0.172 0.000 2.678 392 F HA 0.268 4.795 4.527 0.000 0.000 0.305 392 F C 0.690 176.425 175.800 -0.108 0.000 1.090 392 F CA -0.514 57.403 58.000 -0.139 0.000 1.272 392 F CB 0.306 39.215 39.000 -0.151 0.000 1.060 392 F HN -0.239 nan 8.300 nan 0.000 0.576 393 K N 0.750 121.172 120.400 0.036 0.000 2.405 393 K HA 0.190 4.510 4.320 0.001 0.000 0.276 393 K C 1.255 177.827 176.600 -0.047 0.000 1.099 393 K CA 1.134 57.416 56.287 -0.009 0.000 1.120 393 K CB -0.368 32.119 32.500 -0.021 0.000 0.877 393 K HN 0.426 nan 8.250 nan 0.000 0.472 394 G N 2.819 111.582 108.800 -0.063 0.000 2.205 394 G HA2 -0.269 3.692 3.960 0.001 0.000 0.261 394 G HA3 -0.269 3.692 3.960 0.001 0.000 0.261 394 G C 0.029 174.823 174.900 -0.176 0.000 0.980 394 G CA 0.307 45.339 45.100 -0.113 0.000 0.632 394 G HN 0.665 nan 8.290 nan 0.000 0.533 395 D N -0.322 120.005 120.400 -0.121 0.000 2.294 395 D HA 0.585 5.226 4.640 0.001 0.000 0.250 395 D C 0.765 176.990 176.300 -0.124 0.000 1.058 395 D CA -0.739 53.188 54.000 -0.121 0.000 0.950 395 D CB 0.346 41.107 40.800 -0.064 0.000 1.158 395 D HN 0.015 nan 8.370 nan 0.000 0.453 396 F N 0.115 120.082 119.950 0.028 0.000 2.496 396 F HA 0.116 4.644 4.527 0.002 0.000 0.344 396 F C 0.853 176.722 175.800 0.116 0.000 1.155 396 F CA -0.410 57.618 58.000 0.048 0.000 1.302 396 F CB 0.550 39.561 39.000 0.018 0.000 1.159 396 F HN -0.045 nan 8.300 nan 0.000 0.595 397 V N 0.368 120.465 119.914 0.305 0.000 2.370 397 V HA 0.310 4.431 4.120 0.001 0.000 0.283 397 V C -0.353 175.855 176.094 0.190 0.000 1.023 397 V CA -0.925 61.525 62.300 0.250 0.000 0.857 397 V CB 1.390 33.279 31.823 0.111 0.000 0.985 397 V HN 0.785 nan 8.190 nan 0.000 0.443 398 D N 7.602 128.112 120.400 0.182 0.000 2.339 398 D HA 0.227 4.867 4.640 0.001 0.000 0.256 398 D C -1.286 175.059 176.300 0.075 0.000 1.214 398 D CA -1.404 52.662 54.000 0.109 0.000 0.877 398 D CB 2.137 42.999 40.800 0.104 0.000 1.111 398 D HN 0.503 nan 8.370 nan 0.000 0.478 399 P HA -0.206 nan 4.420 nan 0.000 0.219 399 P C 1.700 179.008 177.300 0.014 0.000 1.145 399 P CA 0.829 63.945 63.100 0.026 0.000 0.813 399 P CB -0.343 31.364 31.700 0.012 0.000 0.771 400 C N -2.283 117.024 119.300 0.012 0.000 2.437 400 C HA 0.043 4.503 4.460 0.001 0.000 0.283 400 C C 2.271 177.257 174.990 -0.006 0.000 1.424 400 C CA -0.015 58.995 59.018 -0.012 0.000 1.782 400 C CB -2.164 25.565 27.740 -0.017 0.000 1.833 400 C HN 0.022 nan 8.230 nan 0.000 0.532 401 L N 1.673 122.917 121.223 0.035 0.000 2.478 401 L HA 0.292 4.632 4.340 0.001 0.000 0.223 401 L C 2.125 179.016 176.870 0.034 0.000 1.140 401 L CA 1.477 56.348 54.840 0.052 0.000 0.842 401 L CB -1.569 40.541 42.059 0.085 0.000 0.953 401 L HN 0.753 nan 8.230 nan 0.000 0.452 402 G N -0.013 108.800 108.800 0.021 0.000 2.574 402 G HA2 -0.366 3.594 3.960 0.001 0.000 0.301 402 G HA3 -0.366 3.594 3.960 0.001 0.000 0.301 402 G C 0.608 175.525 174.900 0.027 0.000 1.166 402 G CA 0.421 45.537 45.100 0.026 0.000 0.971 402 G HN 0.264 nan 8.290 nan 0.000 0.542 403 D N 0.188 120.615 120.400 0.045 0.000 2.503 403 D HA 0.301 4.941 4.640 0.001 0.000 0.218 403 D C 2.141 178.446 176.300 0.009 0.000 1.183 403 D CA -0.052 53.964 54.000 0.027 0.000 0.827 403 D CB 0.644 41.469 40.800 0.041 0.000 1.034 403 D HN 0.238 nan 8.370 nan 0.000 0.510 404 L N 1.027 122.266 121.223 0.026 0.000 2.042 404 L HA -0.170 4.170 4.340 0.001 0.000 0.210 404 L C 1.768 178.573 176.870 -0.109 0.000 1.076 404 L CA 1.528 56.361 54.840 -0.011 0.000 0.749 404 L CB -0.217 41.879 42.059 0.061 0.000 0.893 404 L HN -0.014 nan 8.230 nan 0.000 0.432 405 I N -1.170 119.322 120.570 -0.131 0.000 2.202 405 I HA -0.231 3.939 4.170 0.001 0.000 0.242 405 I C 2.481 178.496 176.117 -0.169 0.000 1.091 405 I CA 1.144 62.310 61.300 -0.223 0.000 1.368 405 I CB -1.437 36.326 38.000 -0.396 0.000 1.058 405 I HN 0.315 nan 8.210 nan 0.000 0.410 406 L N 1.057 122.208 121.223 -0.120 0.000 2.042 406 L HA -0.169 4.171 4.340 0.001 0.000 0.210 406 L C 2.375 179.180 176.870 -0.109 0.000 1.076 406 L CA 1.863 56.644 54.840 -0.097 0.000 0.749 406 L CB -0.459 41.563 42.059 -0.061 0.000 0.893 406 L HN 0.080 nan 8.230 nan 0.000 0.432 407 I N -1.237 119.263 120.570 -0.116 0.000 2.233 407 I HA -0.281 3.890 4.170 0.001 0.000 0.243 407 I C 2.300 178.292 176.117 -0.209 0.000 1.093 407 I CA 1.123 62.337 61.300 -0.142 0.000 1.380 407 I CB -0.270 37.641 38.000 -0.148 0.000 1.067 407 I HN 0.215 nan 8.210 nan 0.000 0.413 408 L N 0.094 121.162 121.223 -0.259 0.000 2.127 408 L HA -0.204 4.137 4.340 0.001 0.000 0.211 408 L C 2.611 179.373 176.870 -0.179 0.000 1.089 408 L CA 1.324 56.000 54.840 -0.274 0.000 0.757 408 L CB -0.550 41.341 42.059 -0.280 0.000 0.899 408 L HN 0.157 nan 8.230 nan 0.000 0.434 409 R N -0.223 120.186 120.500 -0.152 0.000 2.189 409 R HA 0.018 4.358 4.340 0.001 0.000 0.223 409 R C 0.584 176.797 176.300 -0.145 0.000 1.092 409 R CA 0.148 56.172 56.100 -0.127 0.000 0.989 409 R CB -0.146 30.085 30.300 -0.115 0.000 0.876 409 R HN 0.247 nan 8.270 nan 0.000 0.457 410 L N 2.790 123.915 121.223 -0.164 0.000 2.485 410 L HA 0.070 4.411 4.340 0.001 0.000 0.275 410 L C -1.809 174.918 176.870 -0.239 0.000 1.207 410 L CA -1.669 53.046 54.840 -0.208 0.000 0.855 410 L CB 0.057 42.050 42.059 -0.110 0.000 1.114 410 L HN -0.043 nan 8.230 nan 0.000 0.485 411 P HA 0.052 nan 4.420 nan 0.000 0.270 411 P C 0.169 177.233 177.300 -0.392 0.000 1.223 411 P CA -0.253 62.617 63.100 -0.384 0.000 0.785 411 P CB 0.679 32.038 31.700 -0.568 0.000 0.923 412 S N 1.271 116.846 115.700 -0.208 0.000 2.368 412 S HA -0.141 4.329 4.470 0.001 0.000 0.225 412 S C 1.828 176.404 174.600 -0.040 0.000 1.030 412 S CA 1.183 59.327 58.200 -0.093 0.000 0.999 412 S CB -0.994 62.207 63.200 0.002 0.000 0.844 412 S HN 0.722 nan 8.310 nan 0.000 0.459 413 W N 0.838 122.171 121.300 0.055 0.000 2.342 413 W HA -0.145 4.515 4.660 0.001 0.000 0.297 413 W C 1.816 178.396 176.519 0.102 0.000 1.213 413 W CA 0.543 57.926 57.345 0.064 0.000 1.251 413 W CB -1.123 28.375 29.460 0.063 0.000 1.136 413 W HN 0.260 nan 8.180 nan 0.000 0.526 414 F N 2.451 122.043 119.950 -0.596 0.000 2.206 414 F HA -0.022 4.506 4.527 0.001 0.000 0.298 414 F C 2.557 178.206 175.800 -0.252 0.000 1.090 414 F CA 1.992 59.677 58.000 -0.525 0.000 1.323 414 F CB -0.442 37.962 39.000 -0.993 0.000 1.028 414 F HN -0.304 nan 8.300 nan 0.000 0.492 415 K N 0.229 120.526 120.400 -0.170 0.000 2.032 415 K HA -0.216 4.104 4.320 0.001 0.000 0.209 415 K C 2.535 179.042 176.600 -0.155 0.000 1.048 415 K CA 2.295 58.478 56.287 -0.174 0.000 0.927 415 K CB -0.484 31.931 32.500 -0.142 0.000 0.712 415 K HN 0.222 nan 8.250 nan 0.000 0.441 416 R N 0.832 121.281 120.500 -0.084 0.000 2.070 416 R HA -0.083 4.257 4.340 0.001 0.000 0.233 416 R C 2.208 178.468 176.300 -0.067 0.000 1.137 416 R CA 1.853 57.928 56.100 -0.042 0.000 0.945 416 R CB -1.574 28.740 30.300 0.023 0.000 0.845 416 R HN 0.240 nan 8.270 nan 0.000 0.430 417 L N 0.398 121.579 121.223 -0.070 0.000 2.013 417 L HA -0.093 4.247 4.340 0.001 0.000 0.212 417 L C 2.542 179.289 176.870 -0.204 0.000 1.073 417 L CA 1.848 56.629 54.840 -0.098 0.000 0.753 417 L CB -0.235 41.800 42.059 -0.040 0.000 0.890 417 L HN 0.437 nan 8.230 nan 0.000 0.432 418 L N -1.713 119.295 121.223 -0.359 0.000 2.156 418 L HA -0.157 4.183 4.340 0.001 0.000 0.208 418 L C 2.633 179.404 176.870 -0.165 0.000 1.095 418 L CA 1.261 55.907 54.840 -0.323 0.000 0.770 418 L CB -0.437 41.352 42.059 -0.450 0.000 0.914 418 L HN 0.411 nan 8.230 nan 0.000 0.439 419 S N 0.662 116.284 115.700 -0.131 0.000 2.338 419 S HA -0.135 4.335 4.470 0.001 0.000 0.218 419 S C 1.945 176.518 174.600 -0.045 0.000 1.032 419 S CA 1.245 59.403 58.200 -0.070 0.000 0.999 419 S CB -0.153 63.013 63.200 -0.056 0.000 0.905 419 S HN 0.395 nan 8.310 nan 0.000 0.439 420 L N 0.282 121.479 121.223 -0.043 0.000 2.291 420 L HA 0.147 4.487 4.340 0.001 0.000 0.214 420 L C 2.371 179.220 176.870 -0.036 0.000 1.120 420 L CA 1.233 56.055 54.840 -0.030 0.000 0.799 420 L CB -1.766 40.281 42.059 -0.019 0.000 0.925 420 L HN 0.333 nan 8.230 nan 0.000 0.446 421 L N -0.260 120.933 121.223 -0.051 0.000 2.201 421 L HA -0.119 4.221 4.340 0.001 0.000 0.212 421 L C 2.297 179.145 176.870 -0.038 0.000 1.105 421 L CA 0.683 55.493 54.840 -0.049 0.000 0.775 421 L CB 0.003 42.021 42.059 -0.067 0.000 0.913 421 L HN 0.211 nan 8.230 nan 0.000 0.440 422 L N -0.529 120.678 121.223 -0.027 0.000 2.477 422 L HA 0.017 4.358 4.340 0.001 0.000 0.220 422 L C 2.757 179.621 176.870 -0.009 0.000 1.106 422 L CA 1.424 56.274 54.840 0.015 0.000 0.851 422 L CB -1.129 40.964 42.059 0.056 0.000 0.994 422 L HN 0.117 nan 8.230 nan 0.000 0.462 423 K N 1.101 121.488 120.400 -0.022 0.000 2.044 423 K HA -0.158 4.163 4.320 0.001 0.000 0.210 423 K C -0.052 176.522 176.600 -0.043 0.000 1.049 423 K CA 2.100 58.376 56.287 -0.020 0.000 0.927 423 K CB -2.488 30.006 32.500 -0.011 0.000 0.713 423 K HN 0.434 nan 8.250 nan 0.000 0.443 424 P HA -0.069 nan 4.420 nan 0.000 0.217 424 P C 1.218 178.412 177.300 -0.176 0.000 1.151 424 P CA 0.634 63.676 63.100 -0.097 0.000 0.828 424 P CB 0.083 31.727 31.700 -0.092 0.000 0.788 425 L N -1.442 119.602 121.223 -0.299 0.000 2.034 425 L HA 0.083 4.423 4.340 0.001 0.000 0.203 425 L C 1.328 177.751 176.870 -0.745 0.000 1.074 425 L CA 1.520 55.959 54.840 -0.668 0.000 0.748 425 L CB -1.523 39.938 42.059 -0.997 0.000 0.905 425 L HN -0.089 nan 8.230 nan 0.000 0.439 426 F N 0.503 120.421 119.950 -0.052 0.000 2.550 426 F HA 0.288 4.816 4.527 0.001 0.000 0.348 426 F C -1.440 174.293 175.800 -0.113 0.000 1.219 426 F CA -1.365 56.578 58.000 -0.094 0.000 1.203 426 F CB 0.735 39.647 39.000 -0.148 0.000 1.436 426 F HN -0.033 nan 8.300 nan 0.000 0.541 427 P HA -0.148 nan 4.420 nan 0.000 0.220 427 P C 1.377 178.651 177.300 -0.043 0.000 1.148 427 P CA 1.272 64.385 63.100 0.023 0.000 0.803 427 P CB 0.263 32.006 31.700 0.072 0.000 0.782 428 R N -0.751 119.633 120.500 -0.193 0.000 2.066 428 R HA -0.028 4.313 4.340 0.001 0.000 0.232 428 R C 2.373 178.562 176.300 -0.185 0.000 1.131 428 R CA 0.988 56.926 56.100 -0.269 0.000 0.955 428 R CB -1.051 28.894 30.300 -0.592 0.000 0.851 428 R HN 0.177 nan 8.270 nan 0.000 0.432 429 L N 0.563 121.601 121.223 -0.309 0.000 2.141 429 L HA -0.089 4.251 4.340 0.001 0.000 0.209 429 L C 2.448 179.322 176.870 0.006 0.000 1.094 429 L CA 1.621 56.327 54.840 -0.224 0.000 0.763 429 L CB -0.634 41.235 42.059 -0.316 0.000 0.908 429 L HN 0.170 nan 8.230 nan 0.000 0.437 430 A N -0.898 121.925 122.820 0.004 0.000 1.930 430 A HA -0.074 4.246 4.320 0.001 0.000 0.217 430 A C 2.433 180.045 177.584 0.045 0.000 1.175 430 A CA 1.538 53.586 52.037 0.019 0.000 0.627 430 A CB -0.723 18.285 19.000 0.014 0.000 0.815 430 A HN 0.369 nan 8.150 nan 0.000 0.443 431 A N -1.736 121.130 122.820 0.077 0.000 2.016 431 A HA 0.102 4.422 4.320 0.001 0.000 0.217 431 A C 2.008 179.714 177.584 0.204 0.000 1.162 431 A CA 1.002 53.105 52.037 0.110 0.000 0.662 431 A CB -0.597 18.468 19.000 0.109 0.000 0.812 431 A HN 0.605 nan 8.150 nan 0.000 0.450 432 F N 0.038 120.024 119.950 0.059 0.000 2.186 432 F HA -0.101 4.427 4.527 0.000 0.000 0.299 432 F C 1.844 177.669 175.800 0.042 0.000 1.090 432 F CA 1.075 59.144 58.000 0.114 0.000 1.307 432 F CB 0.055 39.173 39.000 0.196 0.000 1.019 432 F HN 0.148 nan 8.300 nan 0.000 0.489 433 L N -0.040 121.194 121.223 0.017 0.000 2.131 433 L HA -0.201 4.140 4.340 0.001 0.000 0.206 433 L C 2.232 179.043 176.870 -0.099 0.000 1.087 433 L CA 1.121 55.879 54.840 -0.137 0.000 0.767 433 L CB -0.780 41.214 42.059 -0.108 0.000 0.917 433 L HN 0.220 nan 8.230 nan 0.000 0.441 434 N N -0.248 118.437 118.700 -0.026 0.000 2.244 434 N HA -0.178 4.562 4.740 0.001 0.000 0.183 434 N C 1.968 177.473 175.510 -0.009 0.000 1.016 434 N CA 1.423 54.463 53.050 -0.016 0.000 0.866 434 N CB 0.207 38.698 38.487 0.007 0.000 0.980 434 N HN 0.350 nan 8.380 nan 0.000 0.430 435 S N 0.087 115.798 115.700 0.018 0.000 2.453 435 S HA -0.012 4.458 4.470 0.001 0.000 0.231 435 S C 1.795 176.420 174.600 0.041 0.000 1.005 435 S CA 0.401 58.629 58.200 0.047 0.000 0.949 435 S CB -0.217 63.055 63.200 0.121 0.000 0.774 435 S HN 0.290 nan 8.310 nan 0.000 0.510 436 M N 1.697 121.252 119.600 -0.074 0.000 2.659 436 M HA 0.143 4.623 4.480 0.001 0.000 0.243 436 M C 1.081 177.314 176.300 -0.112 0.000 1.111 436 M CA 0.074 55.267 55.300 -0.177 0.000 1.070 436 M CB -0.006 32.350 32.600 -0.406 0.000 1.525 436 M HN 0.289 nan 8.290 nan 0.000 0.517 437 R N 2.623 123.089 120.500 -0.057 0.000 2.438 437 R HA 0.238 4.578 4.340 0.001 0.000 0.287 437 R C -2.944 173.351 176.300 -0.008 0.000 1.077 437 R CA -1.272 54.807 56.100 -0.035 0.000 1.034 437 R CB 0.058 30.345 30.300 -0.022 0.000 0.993 437 R HN -0.079 nan 8.270 nan 0.000 0.459 438 P HA 0.325 nan 4.420 nan 0.000 0.280 438 P C -0.920 176.383 177.300 0.005 0.000 1.244 438 P CA -0.308 62.797 63.100 0.007 0.000 0.784 438 P CB 0.821 32.525 31.700 0.006 0.000 0.913 439 R N 0.758 121.261 120.500 0.005 0.000 2.832 439 R HA 0.576 4.916 4.340 0.001 0.000 0.271 439 R C 0.289 176.576 176.300 -0.022 0.000 0.996 439 R CA -0.758 55.339 56.100 -0.005 0.000 0.977 439 R CB 1.334 31.634 30.300 -0.000 0.000 1.168 439 R HN 0.507 nan 8.270 nan 0.000 0.482 440 S N 0.275 115.951 115.700 -0.041 0.000 2.603 440 S HA 0.229 4.700 4.470 0.001 0.000 0.268 440 S C 1.137 175.665 174.600 -0.120 0.000 1.317 440 S CA -0.312 57.841 58.200 -0.078 0.000 1.012 440 S CB 1.578 64.725 63.200 -0.088 0.000 0.926 440 S HN 0.743 nan 8.310 nan 0.000 0.539 441 A N 0.309 123.014 122.820 -0.193 0.000 2.070 441 A HA -0.115 4.206 4.320 0.001 0.000 0.220 441 A C 2.080 179.314 177.584 -0.584 0.000 1.159 441 A CA 1.546 53.378 52.037 -0.341 0.000 0.656 441 A CB -0.929 17.837 19.000 -0.392 0.000 0.800 441 A HN 0.997 nan 8.150 nan 0.000 0.453 442 E N -0.091 119.846 120.200 -0.437 0.000 2.047 442 E HA -0.240 4.110 4.350 0.001 0.000 0.191 442 E C 1.779 178.324 176.600 -0.092 0.000 0.987 442 E CA 1.488 57.702 56.400 -0.310 0.000 0.799 442 E CB -0.093 29.491 29.700 -0.193 0.000 0.752 442 E HN 0.423 nan 8.360 nan 0.000 0.449 443 K N 0.620 120.981 120.400 -0.066 0.000 2.211 443 K HA -0.011 4.310 4.320 0.001 0.000 0.203 443 K C 1.956 178.580 176.600 0.040 0.000 1.050 443 K CA 0.382 56.670 56.287 0.002 0.000 0.945 443 K CB -0.176 32.320 32.500 -0.007 0.000 0.732 443 K HN 0.170 nan 8.250 nan 0.000 0.451 444 L N -0.659 120.578 121.223 0.023 0.000 2.109 444 L HA -0.133 4.207 4.340 0.001 0.000 0.207 444 L C 1.288 178.312 176.870 0.256 0.000 1.086 444 L CA 1.342 56.242 54.840 0.100 0.000 0.760 444 L CB -0.323 41.782 42.059 0.078 0.000 0.910 444 L HN 0.352 nan 8.230 nan 0.000 0.437 445 W N 0.832 122.153 121.300 0.035 0.000 2.402 445 W HA -0.153 4.508 4.660 0.001 0.000 0.286 445 W C 2.837 179.400 176.519 0.074 0.000 1.221 445 W CA 1.926 59.299 57.345 0.047 0.000 1.257 445 W CB -1.120 28.361 29.460 0.035 0.000 1.120 445 W HN 0.147 nan 8.180 nan 0.000 0.551 446 K N 0.496 121.073 120.400 0.294 0.000 2.057 446 K HA -0.065 4.255 4.320 0.001 0.000 0.206 446 K C 1.932 178.636 176.600 0.173 0.000 1.050 446 K CA 1.496 57.916 56.287 0.221 0.000 0.935 446 K CB -1.175 31.420 32.500 0.158 0.000 0.715 446 K HN 0.263 nan 8.250 nan 0.000 0.439 447 L N 0.541 121.838 121.223 0.123 0.000 2.017 447 L HA -0.218 4.122 4.340 0.001 0.000 0.208 447 L C 2.850 179.758 176.870 0.063 0.000 1.073 447 L CA 2.124 56.999 54.840 0.058 0.000 0.745 447 L CB -0.232 41.840 42.059 0.022 0.000 0.894 447 L HN 0.567 nan 8.230 nan 0.000 0.432 448 Q N -1.218 118.647 119.800 0.108 0.000 2.045 448 Q HA -0.332 4.009 4.340 0.001 0.000 0.206 448 Q C 2.246 178.314 176.000 0.114 0.000 0.991 448 Q CA 2.237 58.101 55.803 0.101 0.000 0.851 448 Q CB -0.252 28.558 28.738 0.119 0.000 0.911 448 Q HN 0.685 nan 8.270 nan 0.000 0.418 449 H N 0.199 119.306 119.070 0.062 0.000 2.389 449 H HA -0.049 4.507 4.556 0.001 0.000 0.299 449 H C 1.493 176.867 175.328 0.075 0.000 1.081 449 H CA 1.868 57.949 56.048 0.055 0.000 1.345 449 H CB 0.177 29.973 29.762 0.056 0.000 1.393 449 H HN 0.299 nan 8.280 nan 0.000 0.520 450 E N -0.054 120.096 120.200 -0.084 0.000 2.106 450 E HA -0.106 4.244 4.350 0.001 0.000 0.192 450 E C 2.299 178.902 176.600 0.006 0.000 0.984 450 E CA 1.039 57.395 56.400 -0.073 0.000 0.806 450 E CB 0.070 29.804 29.700 0.057 0.000 0.750 450 E HN 0.536 nan 8.360 nan 0.000 0.458 451 I N 1.789 122.366 120.570 0.012 0.000 2.226 451 I HA -0.262 3.909 4.170 0.001 0.000 0.245 451 I C 2.723 178.877 176.117 0.062 0.000 1.100 451 I CA 1.369 62.695 61.300 0.044 0.000 1.374 451 I CB -0.533 37.471 38.000 0.007 0.000 1.057 451 I HN 0.220 nan 8.210 nan 0.000 0.413 452 E N 1.029 121.244 120.200 0.024 0.000 2.274 452 E HA -0.200 4.151 4.350 0.001 0.000 0.194 452 E C 2.137 178.736 176.600 -0.001 0.000 0.996 452 E CA 0.853 57.269 56.400 0.027 0.000 0.840 452 E CB -0.088 29.647 29.700 0.058 0.000 0.772 452 E HN 0.477 nan 8.360 nan 0.000 0.491 453 M N -0.174 119.385 119.600 -0.067 0.000 2.334 453 M HA -0.028 4.453 4.480 0.001 0.000 0.266 453 M C 1.898 178.209 176.300 0.019 0.000 1.082 453 M CA 0.941 56.201 55.300 -0.066 0.000 1.141 453 M CB -0.058 32.425 32.600 -0.194 0.000 1.380 453 M HN 0.178 nan 8.290 nan 0.000 0.440 454 Y N 0.383 120.655 120.300 -0.047 0.000 2.263 454 Y HA -0.176 4.374 4.550 0.001 0.000 0.292 454 Y C 2.459 178.337 175.900 -0.037 0.000 1.130 454 Y CA 1.524 59.609 58.100 -0.025 0.000 1.179 454 Y CB -0.008 38.450 38.460 -0.003 0.000 0.998 454 Y HN 0.047 nan 8.280 nan 0.000 0.532 455 R N -0.112 120.321 120.500 -0.112 0.000 2.080 455 R HA -0.204 4.136 4.340 0.001 0.000 0.236 455 R C 2.252 178.510 176.300 -0.069 0.000 1.137 455 R CA 1.932 57.956 56.100 -0.128 0.000 0.943 455 R CB -0.159 30.135 30.300 -0.010 0.000 0.846 455 R HN 0.390 nan 8.270 nan 0.000 0.431 456 Q N -0.321 119.459 119.800 -0.034 0.000 2.167 456 Q HA -0.113 4.228 4.340 0.001 0.000 0.202 456 Q C 2.097 178.086 176.000 -0.018 0.000 0.970 456 Q CA 1.730 57.530 55.803 -0.006 0.000 0.855 456 Q CB -0.095 28.649 28.738 0.010 0.000 0.911 456 Q HN 0.349 nan 8.270 nan 0.000 0.438 457 S N -0.303 115.353 115.700 -0.073 0.000 2.406 457 S HA -0.061 4.410 4.470 0.001 0.000 0.228 457 S C 2.044 176.599 174.600 -0.075 0.000 1.020 457 S CA 0.977 59.134 58.200 -0.071 0.000 0.965 457 S CB -0.123 63.031 63.200 -0.076 0.000 0.798 457 S HN 0.121 nan 8.310 nan 0.000 0.488 458 V N 1.563 121.366 119.914 -0.184 0.000 2.453 458 V HA -0.010 4.110 4.120 0.001 0.000 0.247 458 V C 2.390 178.641 176.094 0.262 0.000 1.048 458 V CA 1.535 63.828 62.300 -0.011 0.000 1.049 458 V CB -0.654 31.035 31.823 -0.223 0.000 0.672 458 V HN 0.477 nan 8.190 nan 0.000 0.457 459 I N 0.646 121.318 120.570 0.170 0.000 2.179 459 I HA -0.223 3.947 4.170 0.001 0.000 0.242 459 I C 2.664 178.873 176.117 0.153 0.000 1.088 459 I CA 1.578 62.954 61.300 0.127 0.000 1.357 459 I CB -0.535 37.479 38.000 0.023 0.000 1.051 459 I HN 0.264 nan 8.210 nan 0.000 0.409 460 A N -0.326 122.562 122.820 0.113 0.000 1.978 460 A HA -0.291 4.030 4.320 0.001 0.000 0.220 460 A C 2.285 179.971 177.584 0.171 0.000 1.170 460 A CA 1.744 53.848 52.037 0.112 0.000 0.636 460 A CB -0.663 18.377 19.000 0.066 0.000 0.810 460 A HN 0.505 nan 8.150 nan 0.000 0.448 461 Q N -1.688 118.252 119.800 0.232 0.000 2.119 461 Q HA -0.179 4.161 4.340 0.001 0.000 0.201 461 Q C 1.982 178.292 176.000 0.518 0.000 0.972 461 Q CA 1.440 57.450 55.803 0.345 0.000 0.847 461 Q CB -0.204 28.736 28.738 0.337 0.000 0.903 461 Q HN 0.912 nan 8.270 nan 0.000 0.433 462 W N 1.064 122.494 121.300 0.217 0.000 2.418 462 W HA -0.092 4.569 4.660 0.000 0.000 0.292 462 W C 1.261 177.718 176.519 -0.103 0.000 1.213 462 W CA 0.987 58.273 57.345 -0.099 0.000 1.283 462 W CB 0.119 29.531 29.460 -0.079 0.000 1.119 462 W HN 0.023 nan 8.180 nan 0.000 0.542 463 K N 0.204 120.779 120.400 0.291 0.000 2.167 463 K HA -0.018 4.303 4.320 0.001 0.000 0.203 463 K C 2.126 178.782 176.600 0.094 0.000 1.052 463 K CA 1.086 57.475 56.287 0.171 0.000 0.956 463 K CB -0.453 32.122 32.500 0.125 0.000 0.735 463 K HN 0.079 nan 8.250 nan 0.000 0.451 464 A N 0.834 123.718 122.820 0.107 0.000 1.969 464 A HA -0.093 4.228 4.320 0.001 0.000 0.218 464 A C 2.021 179.639 177.584 0.057 0.000 1.169 464 A CA 1.208 53.292 52.037 0.080 0.000 0.635 464 A CB -0.211 18.846 19.000 0.094 0.000 0.810 464 A HN 0.198 nan 8.150 nan 0.000 0.445 465 M N -1.934 117.694 119.600 0.046 0.000 2.509 465 M HA 0.168 4.649 4.480 0.001 0.000 0.250 465 M C 0.481 176.718 176.300 -0.104 0.000 1.132 465 M CA 0.400 55.691 55.300 -0.014 0.000 1.080 465 M CB 0.030 32.636 32.600 0.010 0.000 1.408 465 M HN 0.496 nan 8.290 nan 0.000 0.484 466 N N 0.495 119.137 118.700 -0.097 0.000 2.747 466 N HA -0.154 4.587 4.740 0.001 0.000 0.249 466 N C -1.073 174.329 175.510 -0.179 0.000 1.107 466 N CA 0.244 53.241 53.050 -0.088 0.000 0.707 466 N CB -1.196 37.268 38.487 -0.040 0.000 1.054 466 N HN 0.339 nan 8.380 nan 0.000 0.555 467 L N -1.118 119.861 121.223 -0.407 0.000 2.473 467 L HA 0.192 4.533 4.340 0.001 0.000 0.268 467 L C 1.346 178.019 176.870 -0.329 0.000 1.215 467 L CA -0.114 54.380 54.840 -0.577 0.000 0.823 467 L CB 0.389 41.732 42.059 -1.193 0.000 1.099 467 L HN 0.092 nan 8.230 nan 0.000 0.483 468 D N -0.224 120.016 120.400 -0.267 0.000 2.388 468 D HA 0.232 4.872 4.640 0.001 0.000 0.208 468 D C -0.128 176.168 176.300 -0.006 0.000 1.035 468 D CA 0.730 54.692 54.000 -0.064 0.000 0.875 468 D CB 1.524 42.264 40.800 -0.101 0.000 0.984 468 D HN 0.219 nan 8.370 nan 0.000 0.508 469 V N 0.705 120.435 119.914 -0.306 0.000 3.236 469 V HA 0.280 4.400 4.120 0.001 0.000 0.287 469 V C -2.027 173.707 176.094 -0.601 0.000 1.491 469 V CA -0.857 61.224 62.300 -0.366 0.000 1.037 469 V CB 3.127 34.565 31.823 -0.641 0.000 1.160 469 V HN -0.070 nan 8.190 nan 0.000 0.453 470 L N 3.828 124.843 121.223 -0.347 0.000 2.436 470 L HA 0.816 5.157 4.340 0.001 0.000 0.268 470 L C -1.476 175.417 176.870 0.038 0.000 0.974 470 L CA -0.296 54.432 54.840 -0.187 0.000 0.826 470 L CB 1.693 43.745 42.059 -0.012 0.000 1.291 470 L HN 0.657 nan 8.230 nan 0.000 0.406 471 L N 3.938 125.207 121.223 0.076 0.000 2.322 471 L HA 0.855 5.195 4.340 0.001 0.000 0.281 471 L C -0.704 176.132 176.870 -0.057 0.000 1.014 471 L CA 0.434 55.360 54.840 0.143 0.000 0.815 471 L CB 2.015 44.217 42.059 0.239 0.000 1.247 471 L HN 0.752 nan 8.230 nan 0.000 0.421 472 T N 4.901 119.380 114.554 -0.126 0.000 2.916 472 T HA 0.521 4.872 4.350 0.001 0.000 0.305 472 T C -2.821 171.755 174.700 -0.208 0.000 1.119 472 T CA -1.077 60.826 62.100 -0.329 0.000 1.008 472 T CB 2.105 70.878 68.868 -0.158 0.000 1.129 472 T HN 0.307 nan 8.240 nan 0.000 0.480 473 P HA 0.386 nan 4.420 nan 0.000 0.271 473 P C -0.903 176.179 177.300 -0.363 0.000 1.216 473 P CA -0.590 62.325 63.100 -0.308 0.000 0.776 473 P CB 0.413 31.851 31.700 -0.437 0.000 0.881 474 M N 4.109 123.563 119.600 -0.243 0.000 2.364 474 M HA 0.291 4.772 4.480 0.001 0.000 0.334 474 M C -0.865 175.367 176.300 -0.113 0.000 1.107 474 M CA -1.258 53.940 55.300 -0.169 0.000 0.988 474 M CB 0.723 33.259 32.600 -0.107 0.000 1.673 474 M HN 0.164 nan 8.290 nan 0.000 0.441 475 L N 4.928 126.154 121.223 0.006 0.000 2.678 475 L HA 0.072 4.413 4.340 0.001 0.000 0.285 475 L C 0.727 177.740 176.870 0.238 0.000 1.233 475 L CA 0.910 55.868 54.840 0.197 0.000 0.920 475 L CB -0.490 41.847 42.059 0.464 0.000 1.176 475 L HN 1.019 nan 8.230 nan 0.000 0.495 476 G N 6.597 115.466 108.800 0.115 0.000 2.441 476 G HA2 0.136 4.097 3.960 0.001 0.000 0.258 476 G HA3 0.136 4.097 3.960 0.001 0.000 0.258 476 G C -2.400 172.462 174.900 -0.064 0.000 1.487 476 G CA -0.562 44.548 45.100 0.018 0.000 1.058 476 G HN 0.628 nan 8.290 nan 0.000 0.552 477 P HA 0.230 nan 4.420 nan 0.000 0.265 477 P C 0.072 177.083 177.300 -0.481 0.000 1.193 477 P CA 0.126 63.070 63.100 -0.260 0.000 0.765 477 P CB 0.346 31.930 31.700 -0.194 0.000 0.823 478 A N 3.904 126.290 122.820 -0.723 0.000 2.603 478 A HA -0.013 4.308 4.320 0.001 0.000 0.235 478 A C 0.412 177.592 177.584 -0.674 0.000 1.035 478 A CA 0.148 51.454 52.037 -1.219 0.000 0.755 478 A CB -0.724 17.895 19.000 -0.636 0.000 0.954 478 A HN 0.485 nan 8.150 nan 0.000 0.511 479 L N 2.532 123.380 121.223 -0.625 0.000 2.464 479 L HA 0.146 4.486 4.340 0.001 0.000 0.264 479 L C 0.934 177.711 176.870 -0.154 0.000 1.199 479 L CA 0.391 55.093 54.840 -0.231 0.000 0.818 479 L CB 0.120 42.142 42.059 -0.062 0.000 1.102 479 L HN 0.704 nan 8.230 nan 0.000 0.473 480 D N 0.043 120.377 120.400 -0.110 0.000 2.312 480 D HA -0.035 4.606 4.640 0.001 0.000 0.244 480 D C 1.102 177.365 176.300 -0.062 0.000 1.328 480 D CA -0.409 53.546 54.000 -0.074 0.000 0.965 480 D CB 0.396 41.160 40.800 -0.061 0.000 1.140 480 D HN 0.176 nan 8.370 nan 0.000 0.523 481 L N 0.841 122.037 121.223 -0.044 0.000 1.913 481 L HA -0.113 4.228 4.340 0.001 0.000 0.217 481 L C 1.429 178.265 176.870 -0.057 0.000 1.086 481 L CA 1.653 56.471 54.840 -0.037 0.000 0.772 481 L CB -1.233 40.813 42.059 -0.021 0.000 0.887 481 L HN 0.314 nan 8.230 nan 0.000 0.432 482 N N -0.226 118.443 118.700 -0.051 0.000 2.466 482 N HA -0.028 4.712 4.740 0.001 0.000 0.211 482 N C 1.162 176.621 175.510 -0.085 0.000 1.256 482 N CA 0.749 53.763 53.050 -0.060 0.000 0.840 482 N CB -0.061 38.405 38.487 -0.035 0.000 1.079 482 N HN 0.579 nan 8.380 nan 0.000 0.466 483 T N -3.796 110.689 114.554 -0.116 0.000 3.014 483 T HA 0.191 4.541 4.350 0.001 0.000 0.250 483 T C -1.179 173.387 174.700 -0.224 0.000 1.060 483 T CA -0.165 61.862 62.100 -0.122 0.000 1.040 483 T CB -0.253 68.564 68.868 -0.085 0.000 0.971 483 T HN -0.054 nan 8.240 nan 0.000 0.497 484 P HA 0.126 nan 4.420 nan 0.000 0.226 484 P C 1.797 178.766 177.300 -0.552 0.000 1.153 484 P CA 0.900 63.443 63.100 -0.928 0.000 0.777 484 P CB -0.561 30.142 31.700 -1.661 0.000 0.794 485 G N 0.478 109.103 108.800 -0.293 0.000 2.484 485 G HA2 -0.186 3.774 3.960 0.001 0.000 0.218 485 G HA3 -0.186 3.774 3.960 0.001 0.000 0.218 485 G C 1.155 176.028 174.900 -0.045 0.000 1.130 485 G CA 0.154 45.179 45.100 -0.125 0.000 0.784 485 G HN 0.315 nan 8.290 nan 0.000 0.543 486 R N -0.040 120.433 120.500 -0.045 0.000 2.586 486 R HA 0.522 4.862 4.340 0.001 0.000 0.336 486 R C 0.330 176.673 176.300 0.072 0.000 1.060 486 R CA 0.306 56.444 56.100 0.064 0.000 1.079 486 R CB 0.597 30.943 30.300 0.076 0.000 1.317 486 R HN 0.182 nan 8.270 nan 0.000 0.568 487 A N 0.479 123.217 122.820 -0.137 0.000 2.992 487 A HA 0.216 4.536 4.320 0.001 0.000 0.263 487 A C 0.782 178.023 177.584 -0.573 0.000 0.928 487 A CA -0.451 51.425 52.037 -0.267 0.000 1.061 487 A CB 0.430 19.431 19.000 0.001 0.000 1.173 487 A HN 0.022 nan 8.150 nan 0.000 0.482 488 T N -0.195 113.666 114.554 -1.155 0.000 2.803 488 T HA -0.108 4.243 4.350 0.001 0.000 0.269 488 T C 1.893 175.984 174.700 -1.016 0.000 1.052 488 T CA 2.214 63.737 62.100 -0.961 0.000 1.136 488 T CB -0.030 68.271 68.868 -0.946 0.000 0.864 488 T HN 0.682 nan 8.240 nan 0.000 0.467 489 G N 0.205 108.062 108.800 -1.572 0.000 2.776 489 G HA2 0.194 4.154 3.960 0.001 0.000 0.209 489 G HA3 0.194 4.154 3.960 0.001 0.000 0.209 489 G C 1.478 176.294 174.900 -0.140 0.000 1.145 489 G CA 0.602 45.330 45.100 -0.620 0.000 0.791 489 G HN 0.542 nan 8.290 nan 0.000 0.530 490 A N 1.160 123.885 122.820 -0.157 0.000 2.119 490 A HA 0.114 4.435 4.320 0.001 0.000 0.217 490 A C 2.179 179.774 177.584 0.019 0.000 1.153 490 A CA 0.914 52.972 52.037 0.035 0.000 0.692 490 A CB -0.300 18.763 19.000 0.105 0.000 0.799 490 A HN 0.725 nan 8.150 nan 0.000 0.458 491 I N -1.363 119.131 120.570 -0.126 0.000 3.444 491 I HA -0.070 4.101 4.170 0.001 0.000 0.287 491 I C 1.972 178.094 176.117 0.009 0.000 1.302 491 I CA 1.157 62.465 61.300 0.013 0.000 1.368 491 I CB -0.557 37.398 38.000 -0.075 0.000 1.048 491 I HN 0.280 nan 8.210 nan 0.000 0.487 492 S N 1.846 117.514 115.700 -0.053 0.000 2.389 492 S HA -0.314 4.156 4.470 0.001 0.000 0.231 492 S C 1.864 176.382 174.600 -0.137 0.000 1.052 492 S CA 1.609 59.700 58.200 -0.181 0.000 1.053 492 S CB -1.213 61.861 63.200 -0.211 0.000 0.886 492 S HN 0.670 nan 8.310 nan 0.000 0.456 493 Y N 2.862 123.208 120.300 0.078 0.000 2.352 493 Y HA -0.003 4.547 4.550 0.001 0.000 0.292 493 Y C 3.174 179.150 175.900 0.127 0.000 1.136 493 Y CA 1.346 59.530 58.100 0.140 0.000 1.227 493 Y CB -0.672 37.879 38.460 0.151 0.000 0.991 493 Y HN 0.683 nan 8.280 nan 0.000 0.545 494 T N -4.974 109.666 114.554 0.143 0.000 3.045 494 T HA -0.025 4.326 4.350 0.001 0.000 0.239 494 T C 1.921 176.642 174.700 0.034 0.000 1.008 494 T CA 0.660 62.792 62.100 0.054 0.000 1.143 494 T CB -0.959 67.747 68.868 -0.270 0.000 0.894 494 T HN 0.044 nan 8.240 nan 0.000 0.451 495 V N 1.824 121.716 119.914 -0.035 0.000 2.546 495 V HA -0.078 4.042 4.120 0.001 0.000 0.254 495 V C 2.416 178.423 176.094 -0.145 0.000 1.076 495 V CA 1.689 63.942 62.300 -0.078 0.000 1.087 495 V CB -0.758 31.009 31.823 -0.093 0.000 0.674 495 V HN 0.524 nan 8.190 nan 0.000 0.470 496 L N -0.554 120.533 121.223 -0.226 0.000 2.187 496 L HA -0.143 4.198 4.340 0.001 0.000 0.213 496 L C 1.880 178.431 176.870 -0.533 0.000 1.100 496 L CA 2.111 56.708 54.840 -0.405 0.000 0.765 496 L CB -0.659 41.089 42.059 -0.518 0.000 0.904 496 L HN 0.492 nan 8.230 nan 0.000 0.437 497 Y N -1.232 119.044 120.300 -0.040 0.000 2.500 497 Y HA 0.142 4.693 4.550 0.001 0.000 0.270 497 Y C 2.222 178.090 175.900 -0.053 0.000 1.134 497 Y CA 0.199 58.271 58.100 -0.047 0.000 1.293 497 Y CB -0.455 38.031 38.460 0.043 0.000 1.063 497 Y HN 0.289 nan 8.280 nan 0.000 0.534 498 N N -1.132 117.578 118.700 0.017 0.000 2.333 498 N HA -0.143 4.597 4.740 0.001 0.000 0.178 498 N C 1.880 177.355 175.510 -0.059 0.000 1.018 498 N CA 1.064 54.105 53.050 -0.016 0.000 0.882 498 N CB -0.474 37.995 38.487 -0.029 0.000 0.984 498 N HN 0.338 nan 8.380 nan 0.000 0.434 499 C N 1.262 120.499 119.300 -0.105 0.000 2.446 499 C HA 0.076 4.537 4.460 0.001 0.000 0.277 499 C C 2.573 177.506 174.990 -0.094 0.000 1.275 499 C CA 0.333 59.284 59.018 -0.112 0.000 1.727 499 C CB -1.132 26.514 27.740 -0.157 0.000 2.010 499 C HN 0.343 nan 8.230 nan 0.000 0.486 500 L N 0.069 121.186 121.223 -0.178 0.000 2.395 500 L HA 0.047 4.388 4.340 0.001 0.000 0.218 500 L C 0.859 177.627 176.870 -0.171 0.000 1.130 500 L CA 1.179 55.818 54.840 -0.335 0.000 0.826 500 L CB -0.473 41.074 42.059 -0.852 0.000 0.941 500 L HN 0.341 nan 8.230 nan 0.000 0.451 501 D N 0.326 120.700 120.400 -0.043 0.000 2.697 501 D HA -0.259 4.381 4.640 0.001 0.000 0.235 501 D C -0.459 175.964 176.300 0.206 0.000 1.167 501 D CA 0.693 54.714 54.000 0.035 0.000 0.656 501 D CB -1.128 39.653 40.800 -0.031 0.000 1.025 501 D HN 0.142 nan 8.370 nan 0.000 0.419 502 F N -0.350 119.576 119.950 -0.039 0.000 2.422 502 F HA 0.401 4.929 4.527 0.001 0.000 0.333 502 F C -1.422 174.338 175.800 -0.068 0.000 1.095 502 F CA -2.726 55.225 58.000 -0.080 0.000 1.038 502 F CB 1.609 40.629 39.000 0.034 0.000 1.156 502 F HN -0.169 nan 8.300 nan 0.000 0.483 503 P HA 0.010 nan 4.420 nan 0.000 0.261 503 P C -1.160 176.157 177.300 0.029 0.000 1.183 503 P CA 0.285 63.391 63.100 0.011 0.000 0.761 503 P CB 0.517 32.198 31.700 -0.032 0.000 0.785 504 A N 3.278 126.110 122.820 0.019 0.000 2.414 504 A HA 0.801 5.121 4.320 0.001 0.000 0.306 504 A C -0.244 177.333 177.584 -0.012 0.000 1.054 504 A CA -0.431 51.592 52.037 -0.024 0.000 0.724 504 A CB 1.813 20.786 19.000 -0.045 0.000 1.267 504 A HN 0.528 nan 8.150 nan 0.000 0.418 505 G N -0.302 108.487 108.800 -0.017 0.000 2.571 505 G HA2 0.597 4.558 3.960 0.001 0.000 0.304 505 G HA3 0.597 4.558 3.960 0.001 0.000 0.304 505 G C -1.699 173.178 174.900 -0.039 0.000 1.314 505 G CA -0.524 44.569 45.100 -0.011 0.000 0.975 505 G HN 0.974 nan 8.290 nan 0.000 0.485 506 V N 1.047 120.936 119.914 -0.042 0.000 2.531 506 V HA 0.685 4.806 4.120 0.001 0.000 0.301 506 V C -0.694 175.371 176.094 -0.047 0.000 1.034 506 V CA -0.765 61.501 62.300 -0.057 0.000 0.865 506 V CB 1.679 33.461 31.823 -0.069 0.000 0.995 506 V HN 0.824 nan 8.190 nan 0.000 0.424 507 V N 8.013 127.889 119.914 -0.064 0.000 2.569 507 V HA 0.711 4.831 4.120 0.001 0.000 0.301 507 V C -2.569 173.488 176.094 -0.062 0.000 1.044 507 V CA -2.067 60.196 62.300 -0.062 0.000 0.874 507 V CB 2.799 34.565 31.823 -0.095 0.000 1.002 507 V HN 0.760 nan 8.190 nan 0.000 0.424 508 P HA 0.261 nan 4.420 nan 0.000 0.275 508 P C 0.278 177.549 177.300 -0.048 0.000 1.227 508 P CA 0.230 63.302 63.100 -0.045 0.000 0.781 508 P CB 1.694 33.377 31.700 -0.029 0.000 0.906 509 V N -0.969 118.911 119.914 -0.057 0.000 3.426 509 V HA 0.355 4.476 4.120 0.001 0.000 0.271 509 V C 0.447 176.515 176.094 -0.044 0.000 1.530 509 V CA 0.510 62.778 62.300 -0.053 0.000 1.021 509 V CB 0.400 32.183 31.823 -0.066 0.000 0.824 509 V HN 0.648 nan 8.190 nan 0.000 0.432 510 T N 0.720 115.242 114.554 -0.053 0.000 2.718 510 T HA 0.594 4.944 4.350 0.001 0.000 0.306 510 T C -0.956 173.698 174.700 -0.076 0.000 1.485 510 T CA 0.584 62.655 62.100 -0.049 0.000 0.997 510 T CB 1.813 70.656 68.868 -0.042 0.000 1.504 510 T HN 0.768 nan 8.240 nan 0.000 0.497 511 T N -0.403 114.113 114.554 -0.063 0.000 2.924 511 T HA 0.691 5.041 4.350 0.001 0.000 0.291 511 T C -0.293 174.368 174.700 -0.065 0.000 1.045 511 T CA -0.767 61.279 62.100 -0.089 0.000 1.015 511 T CB 1.221 70.052 68.868 -0.061 0.000 1.103 511 T HN 0.503 nan 8.240 nan 0.000 0.496 512 V N 3.303 123.171 119.914 -0.078 0.000 2.450 512 V HA 0.265 4.386 4.120 0.001 0.000 0.281 512 V C 1.387 177.463 176.094 -0.030 0.000 1.019 512 V CA -0.207 62.059 62.300 -0.056 0.000 1.062 512 V CB -0.493 31.288 31.823 -0.070 0.000 0.979 512 V HN 1.185 nan 8.190 nan 0.000 0.477 513 T N 2.670 117.212 114.554 -0.020 0.000 2.824 513 T HA 0.557 4.908 4.350 0.001 0.000 0.277 513 T C 1.414 176.109 174.700 -0.007 0.000 0.975 513 T CA -0.102 61.993 62.100 -0.008 0.000 0.966 513 T CB 1.539 70.405 68.868 -0.004 0.000 1.054 513 T HN 0.663 nan 8.240 nan 0.000 0.533 514 A N 0.357 123.176 122.820 -0.002 0.000 1.908 514 A HA 0.081 4.402 4.320 0.001 0.000 0.218 514 A C 2.521 180.104 177.584 -0.001 0.000 1.181 514 A CA 2.029 54.066 52.037 -0.001 0.000 0.627 514 A CB -1.754 17.247 19.000 0.003 0.000 0.818 514 A HN 1.130 nan 8.150 nan 0.000 0.445 515 E N -0.156 120.045 120.200 0.002 0.000 2.358 515 E HA -0.094 4.257 4.350 0.001 0.000 0.195 515 E C 1.430 178.033 176.600 0.006 0.000 1.010 515 E CA 1.030 57.433 56.400 0.005 0.000 0.856 515 E CB -0.609 29.095 29.700 0.008 0.000 0.795 515 E HN 0.658 nan 8.360 nan 0.000 0.504 516 D N 0.136 120.536 120.400 -0.000 0.000 2.224 516 D HA -0.064 4.576 4.640 0.001 0.000 0.205 516 D C 1.269 177.564 176.300 -0.009 0.000 0.965 516 D CA 1.356 55.355 54.000 -0.002 0.000 0.852 516 D CB -0.024 40.768 40.800 -0.013 0.000 0.947 516 D HN 0.533 nan 8.370 nan 0.000 0.494 517 D N -0.203 120.189 120.400 -0.014 0.000 2.271 517 D HA 0.076 4.716 4.640 0.001 0.000 0.206 517 D C 1.959 178.253 176.300 -0.010 0.000 0.967 517 D CA 0.674 54.662 54.000 -0.020 0.000 0.867 517 D CB 0.301 41.087 40.800 -0.023 0.000 0.960 517 D HN 0.033 nan 8.370 nan 0.000 0.509 518 A N -0.113 122.707 122.820 -0.001 0.000 1.930 518 A HA 0.002 4.323 4.320 0.001 0.000 0.215 518 A C 2.213 179.806 177.584 0.016 0.000 1.176 518 A CA 1.750 53.791 52.037 0.006 0.000 0.632 518 A CB -1.112 17.893 19.000 0.008 0.000 0.819 518 A HN 0.315 nan 8.150 nan 0.000 0.445 519 Q N -1.154 118.659 119.800 0.021 0.000 2.373 519 Q HA 0.334 4.674 4.340 0.001 0.000 0.206 519 Q C 1.566 177.601 176.000 0.059 0.000 0.942 519 Q CA 0.924 56.749 55.803 0.038 0.000 0.953 519 Q CB -0.776 27.985 28.738 0.038 0.000 1.022 519 Q HN 0.532 nan 8.270 nan 0.000 0.502 520 M N 0.241 119.863 119.600 0.038 0.000 2.319 520 M HA -0.015 4.466 4.480 0.001 0.000 0.265 520 M C 2.200 178.536 176.300 0.061 0.000 1.068 520 M CA 1.449 56.769 55.300 0.034 0.000 1.118 520 M CB -0.650 31.929 32.600 -0.035 0.000 1.395 520 M HN 0.741 nan 8.290 nan 0.000 0.435 521 E N -0.196 120.032 120.200 0.046 0.000 2.516 521 E HA 0.227 4.578 4.350 0.001 0.000 0.199 521 E C 1.699 178.338 176.600 0.064 0.000 1.069 521 E CA 1.151 57.581 56.400 0.049 0.000 0.876 521 E CB -1.224 28.494 29.700 0.029 0.000 0.843 521 E HN 0.535 nan 8.360 nan 0.000 0.530 522 L N -1.620 119.651 121.223 0.080 0.000 2.766 522 L HA 0.558 4.899 4.340 0.001 0.000 0.242 522 L C 1.202 178.126 176.870 0.089 0.000 1.136 522 L CA -0.222 54.660 54.840 0.069 0.000 0.933 522 L CB -1.258 40.829 42.059 0.047 0.000 1.241 522 L HN 0.494 nan 8.230 nan 0.000 0.522 523 Y N 2.811 123.106 120.300 -0.009 0.000 2.783 523 Y HA 0.406 4.957 4.550 0.001 0.000 0.359 523 Y C 0.813 176.699 175.900 -0.023 0.000 1.220 523 Y CA 0.649 58.736 58.100 -0.021 0.000 1.649 523 Y CB -0.495 37.956 38.460 -0.015 0.000 1.273 523 Y HN 0.422 nan 8.280 nan 0.000 0.506 524 K N 4.435 124.723 120.400 -0.187 0.000 2.235 524 K HA 0.676 4.997 4.320 0.001 0.000 0.266 524 K C 0.500 176.833 176.600 -0.446 0.000 0.980 524 K CA -0.281 55.893 56.287 -0.189 0.000 0.849 524 K CB 0.794 33.236 32.500 -0.096 0.000 1.098 524 K HN 0.880 nan 8.250 nan 0.000 0.445 525 G N -0.248 108.335 108.800 -0.362 0.000 2.631 525 G HA2 0.345 4.306 3.960 0.001 0.000 0.271 525 G HA3 0.345 4.306 3.960 0.001 0.000 0.271 525 G C 0.075 174.777 174.900 -0.331 0.000 1.302 525 G CA -0.119 44.722 45.100 -0.432 0.000 1.002 525 G HN 0.685 nan 8.290 nan 0.000 0.519 526 Y N -1.228 118.987 120.300 -0.141 0.000 2.529 526 Y HA 0.272 4.823 4.550 0.001 0.000 0.290 526 Y C 1.420 176.892 175.900 -0.713 0.000 1.177 526 Y CA 0.068 57.938 58.100 -0.383 0.000 1.305 526 Y CB -0.051 38.156 38.460 -0.421 0.000 1.047 526 Y HN 0.404 nan 8.280 nan 0.000 0.522 527 F N -2.464 117.515 119.950 0.048 0.000 2.675 527 F HA 0.346 4.873 4.527 0.001 0.000 0.315 527 F C 1.968 177.798 175.800 0.049 0.000 0.888 527 F CA 0.326 58.344 58.000 0.029 0.000 1.100 527 F CB 0.096 39.089 39.000 -0.012 0.000 0.908 527 F HN -0.133 nan 8.300 nan 0.000 0.657 528 G N 1.956 110.872 108.800 0.193 0.000 2.203 528 G HA2 -0.322 3.639 3.960 0.001 0.000 0.263 528 G HA3 -0.322 3.639 3.960 0.001 0.000 0.263 528 G C -0.217 174.793 174.900 0.184 0.000 1.012 528 G CA 0.739 45.931 45.100 0.154 0.000 0.749 528 G HN 0.474 nan 8.290 nan 0.000 0.512 529 D N -0.644 119.853 120.400 0.162 0.000 2.478 529 D HA 0.422 5.063 4.640 0.001 0.000 0.269 529 D C 1.994 178.216 176.300 -0.130 0.000 1.232 529 D CA -0.501 53.459 54.000 -0.068 0.000 1.059 529 D CB 0.169 40.832 40.800 -0.229 0.000 1.104 529 D HN 0.403 nan 8.370 nan 0.000 0.566 530 I N -1.619 118.753 120.570 -0.330 0.000 2.676 530 I HA -0.087 4.083 4.170 0.001 0.000 0.259 530 I C 0.737 176.876 176.117 0.036 0.000 1.194 530 I CA 0.740 61.932 61.300 -0.179 0.000 1.473 530 I CB -0.909 36.930 38.000 -0.268 0.000 1.096 530 I HN 0.364 nan 8.210 nan 0.000 0.443 531 W N 2.088 123.348 121.300 -0.068 0.000 2.381 531 W HA -0.086 4.574 4.660 0.000 0.000 0.301 531 W C 2.337 178.881 176.519 0.042 0.000 1.205 531 W CA 0.862 58.194 57.345 -0.022 0.000 1.285 531 W CB -1.290 28.143 29.460 -0.045 0.000 1.133 531 W HN 0.249 nan 8.180 nan 0.000 0.521 532 D N -0.029 120.557 120.400 0.309 0.000 2.144 532 D HA -0.134 4.506 4.640 0.001 0.000 0.200 532 D C 2.157 178.599 176.300 0.237 0.000 0.978 532 D CA 1.078 55.255 54.000 0.295 0.000 0.833 532 D CB -0.172 40.778 40.800 0.249 0.000 0.961 532 D HN -0.021 nan 8.370 nan 0.000 0.470 533 I N 0.797 121.457 120.570 0.151 0.000 2.163 533 I HA -0.214 3.956 4.170 0.001 0.000 0.243 533 I C 2.554 178.720 176.117 0.082 0.000 1.085 533 I CA 0.799 62.160 61.300 0.101 0.000 1.347 533 I CB -1.006 37.024 38.000 0.050 0.000 1.044 533 I HN -0.006 nan 8.210 nan 0.000 0.408 534 I N -0.166 120.458 120.570 0.090 0.000 2.315 534 I HA -0.252 3.918 4.170 0.001 0.000 0.248 534 I C 2.338 178.470 176.117 0.025 0.000 1.117 534 I CA 0.813 62.148 61.300 0.058 0.000 1.404 534 I CB -0.118 37.928 38.000 0.077 0.000 1.071 534 I HN 0.104 nan 8.210 nan 0.000 0.419 535 L N 0.601 121.855 121.223 0.051 0.000 2.141 535 L HA -0.182 4.158 4.340 0.001 0.000 0.209 535 L C 2.350 179.080 176.870 -0.233 0.000 1.094 535 L CA 1.688 56.507 54.840 -0.035 0.000 0.763 535 L CB -0.707 41.388 42.059 0.061 0.000 0.908 535 L HN 0.129 nan 8.230 nan 0.000 0.437 536 K N 0.164 120.465 120.400 -0.165 0.000 2.032 536 K HA -0.212 4.109 4.320 0.001 0.000 0.209 536 K C 2.228 178.751 176.600 -0.127 0.000 1.048 536 K CA 2.347 58.523 56.287 -0.185 0.000 0.927 536 K CB -0.170 32.369 32.500 0.066 0.000 0.712 536 K HN 0.214 nan 8.250 nan 0.000 0.441 537 K N 0.193 120.554 120.400 -0.065 0.000 2.031 537 K HA 0.149 4.469 4.320 0.001 0.000 0.205 537 K C 2.249 178.806 176.600 -0.072 0.000 1.049 537 K CA 1.382 57.639 56.287 -0.050 0.000 0.939 537 K CB -1.234 31.252 32.500 -0.023 0.000 0.717 537 K HN 0.414 nan 8.250 nan 0.000 0.438 538 A N 0.200 122.972 122.820 -0.080 0.000 2.119 538 A HA 0.143 4.463 4.320 0.001 0.000 0.217 538 A C 2.293 179.804 177.584 -0.121 0.000 1.153 538 A CA 1.480 53.465 52.037 -0.087 0.000 0.692 538 A CB -0.279 18.678 19.000 -0.073 0.000 0.799 538 A HN 0.511 nan 8.150 nan 0.000 0.458 539 M N -0.451 119.058 119.600 -0.152 0.000 2.510 539 M HA 0.075 4.556 4.480 0.001 0.000 0.256 539 M C 1.380 177.593 176.300 -0.145 0.000 1.132 539 M CA 0.587 55.782 55.300 -0.175 0.000 1.105 539 M CB -0.196 32.268 32.600 -0.227 0.000 1.375 539 M HN 0.376 nan 8.290 nan 0.000 0.477 540 K N 1.259 121.588 120.400 -0.118 0.000 2.187 540 K HA 0.090 4.411 4.320 0.001 0.000 0.247 540 K C 0.577 177.135 176.600 -0.070 0.000 1.019 540 K CA -0.181 56.056 56.287 -0.082 0.000 0.893 540 K CB -0.304 32.159 32.500 -0.062 0.000 1.025 540 K HN 0.478 nan 8.250 nan 0.000 0.500 541 N N -0.344 118.326 118.700 -0.050 0.000 2.708 541 N HA -0.139 4.601 4.740 0.001 0.000 0.255 541 N C -0.376 175.107 175.510 -0.045 0.000 1.046 541 N CA 1.081 54.108 53.050 -0.039 0.000 0.715 541 N CB -1.131 37.337 38.487 -0.032 0.000 0.895 541 N HN 0.576 nan 8.380 nan 0.000 0.545 542 S N -1.075 114.595 115.700 -0.050 0.000 2.733 542 S HA 0.138 4.609 4.470 0.001 0.000 0.247 542 S C 0.421 174.991 174.600 -0.050 0.000 1.043 542 S CA -0.272 57.888 58.200 -0.067 0.000 1.066 542 S CB 1.176 64.315 63.200 -0.101 0.000 1.045 542 S HN 0.220 nan 8.310 nan 0.000 0.586 543 V N 2.537 122.436 119.914 -0.026 0.000 2.452 543 V HA 0.361 4.481 4.120 0.001 0.000 0.286 543 V C 1.489 177.589 176.094 0.009 0.000 0.995 543 V CA 1.152 63.445 62.300 -0.011 0.000 1.116 543 V CB -0.423 31.399 31.823 -0.001 0.000 0.954 543 V HN 0.624 nan 8.190 nan 0.000 0.473 544 G N 3.878 112.678 108.800 0.001 0.000 2.218 544 G HA2 -0.176 3.784 3.960 0.001 0.000 0.216 544 G HA3 -0.176 3.784 3.960 0.001 0.000 0.216 544 G C 0.090 174.988 174.900 -0.003 0.000 0.994 544 G CA -0.272 44.852 45.100 0.040 0.000 0.637 544 G HN 0.520 nan 8.290 nan 0.000 0.505 545 L N 2.672 123.838 121.223 -0.096 0.000 2.439 545 L HA 0.327 4.667 4.340 0.001 0.000 0.269 545 L C -1.444 175.166 176.870 -0.434 0.000 1.179 545 L CA -1.405 53.255 54.840 -0.300 0.000 0.828 545 L CB 0.370 42.295 42.059 -0.224 0.000 1.106 545 L HN 0.052 nan 8.230 nan 0.000 0.467 546 P HA 0.137 nan 4.420 nan 0.000 0.271 546 P C -0.879 176.260 177.300 -0.267 0.000 1.216 546 P CA -0.156 62.639 63.100 -0.507 0.000 0.776 546 P CB 1.264 32.572 31.700 -0.654 0.000 0.881 547 V N 2.070 121.881 119.914 -0.172 0.000 2.628 547 V HA 0.728 4.848 4.120 0.001 0.000 0.306 547 V C 0.462 176.509 176.094 -0.078 0.000 1.045 547 V CA -0.769 61.471 62.300 -0.100 0.000 0.905 547 V CB 1.545 33.318 31.823 -0.084 0.000 0.997 547 V HN 0.792 nan 8.190 nan 0.000 0.436 548 A N 3.181 125.970 122.820 -0.052 0.000 2.347 548 A HA 0.980 5.300 4.320 0.001 0.000 0.301 548 A C -0.988 176.554 177.584 -0.071 0.000 1.163 548 A CA -0.766 51.237 52.037 -0.056 0.000 0.860 548 A CB 2.017 20.994 19.000 -0.038 0.000 1.367 548 A HN 0.724 nan 8.150 nan 0.000 0.461 549 V N -0.259 119.606 119.914 -0.082 0.000 3.007 549 V HA 0.495 4.615 4.120 0.001 0.000 0.311 549 V C -0.702 175.336 176.094 -0.092 0.000 1.120 549 V CA -0.501 61.743 62.300 -0.092 0.000 0.980 549 V CB 1.981 33.747 31.823 -0.094 0.000 1.033 549 V HN 1.001 nan 8.190 nan 0.000 0.429 550 Q N 2.717 122.465 119.800 -0.086 0.000 2.282 550 Q HA 0.551 4.891 4.340 0.001 0.000 0.260 550 Q C -1.578 174.407 176.000 -0.024 0.000 0.964 550 Q CA -0.444 55.317 55.803 -0.070 0.000 0.880 550 Q CB 1.695 30.391 28.738 -0.069 0.000 1.286 550 Q HN 0.800 nan 8.270 nan 0.000 0.445 551 C N 3.430 122.733 119.300 0.004 0.000 2.379 551 C HA 0.742 5.202 4.460 0.001 0.000 0.323 551 C C -0.658 174.399 174.990 0.111 0.000 1.262 551 C CA -0.628 58.484 59.018 0.156 0.000 1.581 551 C CB 0.856 28.669 27.740 0.122 0.000 2.221 551 C HN 0.634 nan 8.230 nan 0.000 0.497 552 V N 2.814 122.811 119.914 0.137 0.000 2.638 552 V HA 0.883 5.003 4.120 0.001 0.000 0.306 552 V C 0.156 176.372 176.094 0.204 0.000 1.052 552 V CA -0.194 62.146 62.300 0.067 0.000 0.885 552 V CB 1.631 33.395 31.823 -0.099 0.000 0.999 552 V HN 1.089 nan 8.190 nan 0.000 0.424 553 A N 3.858 126.740 122.820 0.103 0.000 2.387 553 A HA 0.903 5.223 4.320 0.001 0.000 0.298 553 A C -0.536 176.777 177.584 -0.451 0.000 1.165 553 A CA -0.827 51.222 52.037 0.021 0.000 0.814 553 A CB 1.100 20.100 19.000 -0.000 0.000 1.357 553 A HN 0.766 nan 8.150 nan 0.000 0.443 554 L N 0.687 121.441 121.223 -0.782 0.000 2.479 554 L HA 0.171 4.511 4.340 0.001 0.000 0.270 554 L C -1.966 174.422 176.870 -0.803 0.000 1.236 554 L CA -1.293 52.795 54.840 -1.254 0.000 0.823 554 L CB 0.153 41.623 42.059 -0.981 0.000 1.098 554 L HN 0.411 nan 8.230 nan 0.000 0.500 555 P HA -0.090 nan 4.420 nan 0.000 0.265 555 P C -0.844 176.189 177.300 -0.445 0.000 1.193 555 P CA 0.367 63.080 63.100 -0.645 0.000 0.765 555 P CB 0.134 31.453 31.700 -0.635 0.000 0.823 556 W N 0.440 121.670 121.300 -0.116 0.000 2.589 556 W HA -0.201 4.459 4.660 0.001 0.000 0.272 556 W C 0.573 177.028 176.519 -0.106 0.000 1.060 556 W CA 0.030 57.321 57.345 -0.090 0.000 0.533 556 W CB -2.328 27.081 29.460 -0.084 0.000 2.084 556 W HN 0.365 nan 8.180 nan 0.000 1.371 557 Q N 0.742 120.535 119.800 -0.012 0.000 2.296 557 Q HA 0.115 4.455 4.340 0.001 0.000 0.273 557 Q C 1.254 177.240 176.000 -0.022 0.000 0.900 557 Q CA 0.511 56.294 55.803 -0.033 0.000 0.993 557 Q CB 0.190 28.878 28.738 -0.084 0.000 1.132 557 Q HN 0.386 nan 8.270 nan 0.000 0.439 558 E N 1.410 121.611 120.200 0.002 0.000 2.130 558 E HA -0.226 4.125 4.350 0.001 0.000 0.196 558 E C 1.721 178.328 176.600 0.010 0.000 0.998 558 E CA 1.620 58.035 56.400 0.024 0.000 0.806 558 E CB 0.231 29.973 29.700 0.070 0.000 0.738 558 E HN 0.482 nan 8.360 nan 0.000 0.459 559 E N 0.268 120.407 120.200 -0.101 0.000 2.230 559 E HA -0.122 4.228 4.350 0.001 0.000 0.192 559 E C 1.983 178.609 176.600 0.043 0.000 0.987 559 E CA 0.465 56.759 56.400 -0.176 0.000 0.841 559 E CB -0.257 29.009 29.700 -0.723 0.000 0.783 559 E HN 0.235 nan 8.360 nan 0.000 0.481 560 L N 1.417 122.655 121.223 0.024 0.000 2.156 560 L HA -0.020 4.321 4.340 0.001 0.000 0.208 560 L C 2.397 179.344 176.870 0.127 0.000 1.095 560 L CA 1.133 56.014 54.840 0.069 0.000 0.770 560 L CB -0.757 41.317 42.059 0.026 0.000 0.914 560 L HN 0.324 nan 8.230 nan 0.000 0.439 561 C N -0.886 118.484 119.300 0.116 0.000 2.453 561 C HA -0.110 4.351 4.460 0.001 0.000 0.277 561 C C 2.744 177.855 174.990 0.202 0.000 1.262 561 C CA 0.716 59.830 59.018 0.159 0.000 1.718 561 C CB -0.988 26.811 27.740 0.099 0.000 2.031 561 C HN 0.578 nan 8.230 nan 0.000 0.480 562 L N 0.905 122.251 121.223 0.204 0.000 2.131 562 L HA -0.102 4.239 4.340 0.001 0.000 0.210 562 L C 3.027 180.121 176.870 0.373 0.000 1.092 562 L CA 1.506 56.505 54.840 0.266 0.000 0.759 562 L CB -0.826 41.375 42.059 0.237 0.000 0.903 562 L HN 0.388 nan 8.230 nan 0.000 0.435 563 R N 0.514 121.239 120.500 0.374 0.000 2.066 563 R HA -0.214 4.126 4.340 0.001 0.000 0.232 563 R C 2.353 178.751 176.300 0.162 0.000 1.131 563 R CA 1.787 58.010 56.100 0.206 0.000 0.955 563 R CB -0.770 29.614 30.300 0.140 0.000 0.851 563 R HN 0.338 nan 8.270 nan 0.000 0.432 564 F N 1.009 120.969 119.950 0.017 0.000 2.161 564 F HA -0.196 4.331 4.527 0.001 0.000 0.300 564 F C 2.315 178.101 175.800 -0.023 0.000 1.089 564 F CA 1.478 59.453 58.000 -0.041 0.000 1.282 564 F CB 0.002 38.974 39.000 -0.048 0.000 1.010 564 F HN 0.007 nan 8.300 nan 0.000 0.485 565 M N -0.324 119.230 119.600 -0.077 0.000 2.175 565 M HA -0.187 4.293 4.480 0.001 0.000 0.264 565 M C 2.321 178.558 176.300 -0.105 0.000 1.063 565 M CA 1.535 56.739 55.300 -0.159 0.000 1.119 565 M CB -0.394 32.196 32.600 -0.017 0.000 1.377 565 M HN 0.054 nan 8.290 nan 0.000 0.415 566 R N 0.207 120.710 120.500 0.005 0.000 2.081 566 R HA -0.203 4.138 4.340 0.001 0.000 0.235 566 R C 2.025 178.300 176.300 -0.042 0.000 1.131 566 R CA 1.732 57.840 56.100 0.013 0.000 0.960 566 R CB -0.049 30.271 30.300 0.034 0.000 0.856 566 R HN 0.183 nan 8.270 nan 0.000 0.436 567 E N -0.277 119.883 120.200 -0.066 0.000 2.077 567 E HA -0.125 4.225 4.350 0.001 0.000 0.193 567 E C 1.746 178.268 176.600 -0.129 0.000 0.989 567 E CA 1.374 57.735 56.400 -0.065 0.000 0.800 567 E CB -0.009 29.666 29.700 -0.042 0.000 0.746 567 E HN 0.156 nan 8.360 nan 0.000 0.452 568 V N 0.613 120.364 119.914 -0.272 0.000 2.407 568 V HA -0.155 3.966 4.120 0.001 0.000 0.245 568 V C 2.390 178.390 176.094 -0.156 0.000 1.041 568 V CA 1.941 64.070 62.300 -0.284 0.000 1.040 568 V CB -0.478 31.041 31.823 -0.507 0.000 0.671 568 V HN 0.371 nan 8.190 nan 0.000 0.455 569 E N -0.273 119.851 120.200 -0.126 0.000 2.085 569 E HA -0.289 4.061 4.350 0.001 0.000 0.194 569 E C 2.305 178.883 176.600 -0.037 0.000 0.994 569 E CA 1.455 57.816 56.400 -0.064 0.000 0.801 569 E CB -0.070 29.608 29.700 -0.036 0.000 0.743 569 E HN 0.576 nan 8.360 nan 0.000 0.453 570 Q N 0.187 119.967 119.800 -0.033 0.000 2.046 570 Q HA -0.147 4.194 4.340 0.001 0.000 0.200 570 Q C 2.435 178.429 176.000 -0.011 0.000 0.975 570 Q CA 1.142 56.937 55.803 -0.013 0.000 0.836 570 Q CB -0.015 28.720 28.738 -0.005 0.000 0.896 570 Q HN 0.379 nan 8.270 nan 0.000 0.428 571 L N -0.177 121.035 121.223 -0.018 0.000 2.201 571 L HA -0.152 4.188 4.340 0.001 0.000 0.212 571 L C 2.291 179.151 176.870 -0.017 0.000 1.105 571 L CA 0.601 55.435 54.840 -0.011 0.000 0.775 571 L CB -0.177 41.879 42.059 -0.006 0.000 0.913 571 L HN 0.251 nan 8.230 nan 0.000 0.440 572 M N -1.789 117.793 119.600 -0.029 0.000 2.534 572 M HA 0.143 4.624 4.480 0.001 0.000 0.263 572 M C 0.882 177.174 176.300 -0.013 0.000 1.152 572 M CA 0.669 55.953 55.300 -0.026 0.000 1.145 572 M CB -0.372 32.202 32.600 -0.043 0.000 1.333 572 M HN 0.071 nan 8.290 nan 0.000 0.477 573 T N 0.000 114.549 114.554 -0.009 0.000 3.816 573 T HA 0.000 4.350 4.350 0.001 0.000 0.228 573 T CA 0.000 62.103 62.100 0.005 0.000 1.349 573 T CB 0.000 68.875 68.868 0.011 0.000 0.612 573 T HN 0.000 nan 8.240 nan 0.000 0.658