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_F 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 0.000 177.562 177.584 -0.036 0.000 1.274 37 A CA 0.000 52.017 52.037 -0.034 0.000 0.836 37 A CB 0.000 18.965 19.000 -0.058 0.000 0.831 38 R N 0.697 121.169 120.500 -0.046 0.000 2.365 38 R HA 0.511 4.851 4.340 -0.000 0.000 0.223 38 R C 2.012 178.424 176.300 0.186 0.000 0.899 38 R CA 1.478 57.582 56.100 0.008 0.000 1.059 38 R CB -1.214 29.005 30.300 -0.135 0.000 1.086 38 R HN 1.212 nan 8.270 nan 0.000 0.522 39 G N 0.427 109.329 108.800 0.171 0.000 2.479 39 G HA2 0.083 4.043 3.960 -0.000 0.000 0.220 39 G HA3 0.083 4.043 3.960 -0.000 0.000 0.220 39 G C 1.352 176.293 174.900 0.067 0.000 1.115 39 G CA 0.723 45.913 45.100 0.151 0.000 0.757 39 G HN 0.833 nan 8.290 nan 0.000 0.560 40 A N 0.542 123.385 122.820 0.039 0.000 2.958 40 A HA 0.656 4.976 4.320 -0.000 0.000 0.247 40 A C 1.850 179.426 177.584 -0.014 0.000 1.679 40 A CA 0.815 52.858 52.037 0.010 0.000 1.345 40 A CB -0.473 18.529 19.000 0.003 0.000 1.013 40 A HN 0.520 nan 8.150 nan 0.000 0.641 41 A N -0.223 122.588 122.820 -0.015 0.000 2.147 41 A HA 0.080 4.400 4.320 -0.000 0.000 0.211 41 A C 2.164 179.693 177.584 -0.092 0.000 1.160 41 A CA 1.457 53.438 52.037 -0.093 0.000 0.781 41 A CB -0.542 18.406 19.000 -0.086 0.000 0.842 41 A HN 0.755 nan 8.150 nan 0.000 0.475 42 T N -2.921 111.611 114.554 -0.037 0.000 3.055 42 T HA -0.030 4.320 4.350 -0.000 0.000 0.265 42 T C 1.803 176.503 174.700 -0.000 0.000 1.111 42 T CA 0.916 63.006 62.100 -0.017 0.000 1.118 42 T CB -0.274 68.592 68.868 -0.004 0.000 0.909 42 T HN 0.410 nan 8.240 nan 0.000 0.501 43 R N 0.612 121.109 120.500 -0.004 0.000 2.148 43 R HA 0.182 4.522 4.340 -0.000 0.000 0.223 43 R C 2.465 178.780 176.300 0.025 0.000 1.088 43 R CA 1.043 57.150 56.100 0.012 0.000 0.985 43 R CB -0.412 29.893 30.300 0.008 0.000 0.880 43 R HN 0.539 nan 8.270 nan 0.000 0.451 44 A N 0.097 122.905 122.820 -0.019 0.000 1.984 44 A HA -0.033 4.287 4.320 -0.000 0.000 0.214 44 A C 2.052 179.719 177.584 0.138 0.000 1.173 44 A CA 0.442 52.483 52.037 0.006 0.000 0.673 44 A CB -0.204 18.596 19.000 -0.333 0.000 0.830 44 A HN 0.195 nan 8.150 nan 0.000 0.453 45 R N 0.034 120.564 120.500 0.050 0.000 2.092 45 R HA -0.206 4.134 4.340 -0.000 0.000 0.231 45 R C 2.379 178.752 176.300 0.122 0.000 1.119 45 R CA 1.887 58.053 56.100 0.110 0.000 0.970 45 R CB -0.167 30.158 30.300 0.041 0.000 0.864 45 R HN 0.764 nan 8.270 nan 0.000 0.440 46 Q N -0.150 119.705 119.800 0.091 0.000 2.230 46 Q HA -0.077 4.263 4.340 -0.000 0.000 0.202 46 Q C 1.565 177.629 176.000 0.107 0.000 0.963 46 Q CA 1.286 57.141 55.803 0.085 0.000 0.866 46 Q CB -0.061 28.714 28.738 0.061 0.000 0.931 46 Q HN 0.104 nan 8.270 nan 0.000 0.452 47 K N 0.277 120.759 120.400 0.136 0.000 2.103 47 K HA -0.116 4.204 4.320 -0.000 0.000 0.204 47 K C 2.227 178.931 176.600 0.172 0.000 1.052 47 K CA 1.242 57.622 56.287 0.155 0.000 0.945 47 K CB 0.015 32.623 32.500 0.180 0.000 0.722 47 K HN 0.394 nan 8.250 nan 0.000 0.443 48 Q N 0.206 120.135 119.800 0.216 0.000 2.084 48 Q HA -0.181 4.159 4.340 -0.000 0.000 0.202 48 Q C 2.123 178.189 176.000 0.110 0.000 0.978 48 Q CA 1.788 57.685 55.803 0.156 0.000 0.844 48 Q CB 0.081 28.958 28.738 0.232 0.000 0.898 48 Q HN 0.235 nan 8.270 nan 0.000 0.426 49 R N -0.304 120.263 120.500 0.112 0.000 2.275 49 R HA 0.224 4.564 4.340 -0.000 0.000 0.199 49 R C 1.674 178.034 176.300 0.100 0.000 0.989 49 R CA 1.089 57.245 56.100 0.094 0.000 1.016 49 R CB -0.599 29.750 30.300 0.081 0.000 0.918 49 R HN 0.392 nan 8.270 nan 0.000 0.473 50 A N -1.006 121.878 122.820 0.106 0.000 2.195 50 A HA 0.237 4.557 4.320 -0.000 0.000 0.210 50 A C 2.108 179.768 177.584 0.127 0.000 1.165 50 A CA 1.133 53.233 52.037 0.106 0.000 0.806 50 A CB 0.091 19.150 19.000 0.098 0.000 0.847 50 A HN 0.410 nan 8.150 nan 0.000 0.482 51 S N -0.890 114.892 115.700 0.137 0.000 2.470 51 S HA 0.134 4.604 4.470 -0.000 0.000 0.222 51 S C 1.336 176.012 174.600 0.127 0.000 1.024 51 S CA 0.332 58.631 58.200 0.166 0.000 0.931 51 S CB -0.073 63.230 63.200 0.172 0.000 0.791 51 S HN 0.368 nan 8.310 nan 0.000 0.513 52 L N 1.604 122.903 121.223 0.127 0.000 2.529 52 L HA 0.284 4.624 4.340 -0.000 0.000 0.223 52 L C 2.339 179.387 176.870 0.296 0.000 1.113 52 L CA 1.272 56.226 54.840 0.190 0.000 0.861 52 L CB -0.482 41.639 42.059 0.104 0.000 1.012 52 L HN 0.382 nan 8.230 nan 0.000 0.461 53 E N -1.587 118.713 120.200 0.167 0.000 2.364 53 E HA -0.004 4.346 4.350 -0.000 0.000 0.196 53 E C 2.038 178.660 176.600 0.037 0.000 0.990 53 E CA 1.026 57.497 56.400 0.117 0.000 0.886 53 E CB -0.752 29.009 29.700 0.100 0.000 0.866 53 E HN 0.408 nan 8.360 nan 0.000 0.493 54 T N 0.438 115.009 114.554 0.027 0.000 2.857 54 T HA -0.014 4.336 4.350 -0.000 0.000 0.266 54 T C 2.202 176.789 174.700 -0.188 0.000 1.048 54 T CA 1.351 63.436 62.100 -0.024 0.000 1.139 54 T CB -0.243 68.666 68.868 0.068 0.000 0.874 54 T HN 0.347 nan 8.240 nan 0.000 0.455 55 M N 1.064 120.502 119.600 -0.271 0.000 2.117 55 M HA -0.120 4.360 4.480 -0.000 0.000 0.262 55 M C 2.219 178.341 176.300 -0.298 0.000 1.065 55 M CA 1.527 56.604 55.300 -0.371 0.000 1.114 55 M CB -0.265 32.264 32.600 -0.119 0.000 1.361 55 M HN 0.093 nan 8.290 nan 0.000 0.408 56 D N 0.736 120.943 120.400 -0.321 0.000 2.084 56 D HA -0.107 4.533 4.640 -0.000 0.000 0.196 56 D C 1.736 177.844 176.300 -0.320 0.000 0.985 56 D CA 1.881 55.534 54.000 -0.578 0.000 0.826 56 D CB 0.104 40.559 40.800 -0.576 0.000 0.978 56 D HN 0.215 nan 8.370 nan 0.000 0.456 57 K N -0.551 119.745 120.400 -0.173 0.000 2.551 57 K HA 0.561 4.881 4.320 -0.000 0.000 0.204 57 K C 1.166 177.752 176.600 -0.024 0.000 1.033 57 K CA 0.750 56.984 56.287 -0.088 0.000 1.187 57 K CB -0.282 32.189 32.500 -0.048 0.000 0.900 57 K HN 0.300 nan 8.250 nan 0.000 0.499 58 A N -0.319 122.492 122.820 -0.015 0.000 2.074 58 A HA 0.225 4.545 4.320 -0.000 0.000 0.200 58 A C 2.150 179.872 177.584 0.230 0.000 1.335 58 A CA 1.073 53.197 52.037 0.145 0.000 0.922 58 A CB 0.039 19.156 19.000 0.195 0.000 0.972 58 A HN 0.771 nan 8.150 nan 0.000 0.475 59 V N -2.378 117.584 119.914 0.080 0.000 2.951 59 V HA -0.069 4.051 4.120 -0.000 0.000 0.255 59 V C 1.725 177.861 176.094 0.071 0.000 1.088 59 V CA 1.781 64.144 62.300 0.105 0.000 1.109 59 V CB -0.638 31.152 31.823 -0.054 0.000 0.724 59 V HN 0.501 nan 8.190 nan 0.000 0.471 60 Q N 0.956 120.743 119.800 -0.022 0.000 2.250 60 Q HA 0.095 4.435 4.340 -0.000 0.000 0.200 60 Q C 2.388 178.379 176.000 -0.014 0.000 0.941 60 Q CA 1.366 57.144 55.803 -0.041 0.000 0.872 60 Q CB -0.051 28.624 28.738 -0.104 0.000 0.965 60 Q HN 0.771 nan 8.270 nan 0.000 0.480 61 R N 0.061 120.562 120.500 0.003 0.000 2.346 61 R HA 0.006 4.346 4.340 -0.000 0.000 0.225 61 R C 0.868 177.165 176.300 -0.004 0.000 0.987 61 R CA 0.429 56.524 56.100 -0.008 0.000 1.106 61 R CB -1.129 29.171 30.300 -0.001 0.000 1.090 61 R HN 0.356 nan 8.270 nan 0.000 0.502 62 F N -1.335 118.508 119.950 -0.179 0.000 2.581 62 F HA 0.203 4.730 4.527 -0.000 0.000 0.278 62 F C 2.539 178.249 175.800 -0.149 0.000 1.000 62 F CA 0.841 58.692 58.000 -0.248 0.000 1.230 62 F CB 0.327 39.089 39.000 -0.397 0.000 1.008 62 F HN 0.228 nan 8.300 nan 0.000 0.695 63 R N 1.421 121.943 120.500 0.037 0.000 2.148 63 R HA 0.077 4.417 4.340 -0.000 0.000 0.227 63 R C 2.123 178.346 176.300 -0.128 0.000 1.103 63 R CA 1.680 57.748 56.100 -0.053 0.000 0.983 63 R CB -2.185 28.127 30.300 0.020 0.000 0.874 63 R HN 0.457 nan 8.270 nan 0.000 0.451 64 L N -0.509 120.646 121.223 -0.114 0.000 1.994 64 L HA 0.003 4.343 4.340 -0.000 0.000 0.208 64 L C 2.934 179.703 176.870 -0.169 0.000 1.071 64 L CA 3.060 57.829 54.840 -0.118 0.000 0.745 64 L CB -1.913 40.094 42.059 -0.087 0.000 0.892 64 L HN 0.677 nan 8.230 nan 0.000 0.431 65 Q N -0.315 119.349 119.800 -0.227 0.000 2.230 65 Q HA -0.061 4.278 4.340 -0.000 0.000 0.202 65 Q C 1.170 176.963 176.000 -0.344 0.000 0.963 65 Q CA 1.359 57.009 55.803 -0.255 0.000 0.866 65 Q CB -0.770 27.822 28.738 -0.243 0.000 0.931 65 Q HN 0.942 nan 8.270 nan 0.000 0.452 66 N N 0.235 118.621 118.700 -0.524 0.000 2.841 66 N HA 0.289 5.029 4.740 -0.000 0.000 0.257 66 N C -2.482 172.817 175.510 -0.353 0.000 1.396 66 N CA -1.135 51.607 53.050 -0.513 0.000 0.823 66 N CB 1.962 39.944 38.487 -0.843 0.000 1.162 66 N HN 0.219 nan 8.380 nan 0.000 0.503 67 P HA 0.105 nan 4.420 nan 0.000 0.240 67 P C 0.109 177.352 177.300 -0.095 0.000 1.190 67 P CA 0.809 63.828 63.100 -0.135 0.000 0.781 67 P CB 0.213 31.848 31.700 -0.107 0.000 0.931 68 D N -0.720 119.622 120.400 -0.097 0.000 2.559 68 D HA 0.473 5.113 4.640 -0.000 0.000 0.234 68 D C 0.573 176.843 176.300 -0.050 0.000 1.226 68 D CA -0.167 53.794 54.000 -0.064 0.000 0.830 68 D CB -0.545 40.219 40.800 -0.059 0.000 1.028 68 D HN 0.240 nan 8.370 nan 0.000 0.492 69 L N -0.014 121.181 121.223 -0.048 0.000 2.350 69 L HA 0.714 5.054 4.340 -0.000 0.000 0.275 69 L C 0.280 177.146 176.870 -0.007 0.000 1.099 69 L CA -0.806 54.027 54.840 -0.013 0.000 0.808 69 L CB 1.137 43.210 42.059 0.023 0.000 1.149 69 L HN 0.159 nan 8.230 nan 0.000 0.442 70 D N 0.937 121.333 120.400 -0.007 0.000 2.393 70 D HA 0.358 4.998 4.640 -0.000 0.000 0.232 70 D C 1.335 177.622 176.300 -0.022 0.000 1.192 70 D CA 0.620 54.611 54.000 -0.014 0.000 0.882 70 D CB 1.025 41.816 40.800 -0.015 0.000 1.038 70 D HN 0.607 nan 8.370 nan 0.000 0.499 71 S N 2.831 118.517 115.700 -0.025 0.000 2.348 71 S HA -0.209 4.261 4.470 -0.000 0.000 0.221 71 S C 2.128 176.683 174.600 -0.075 0.000 1.033 71 S CA 1.481 59.651 58.200 -0.050 0.000 1.010 71 S CB -0.533 62.645 63.200 -0.037 0.000 0.891 71 S HN 0.683 nan 8.310 nan 0.000 0.442 72 E N 0.937 121.105 120.200 -0.053 0.000 2.204 72 E HA 0.227 4.577 4.350 -0.000 0.000 0.194 72 E C 1.800 178.369 176.600 -0.051 0.000 0.989 72 E CA 1.198 57.567 56.400 -0.052 0.000 0.824 72 E CB -0.799 28.880 29.700 -0.035 0.000 0.756 72 E HN 0.691 nan 8.360 nan 0.000 0.477 73 A N -0.585 122.208 122.820 -0.044 0.000 2.348 73 A HA 0.433 4.753 4.320 -0.000 0.000 0.224 73 A C 2.011 179.567 177.584 -0.047 0.000 1.227 73 A CA 0.324 52.340 52.037 -0.036 0.000 0.885 73 A CB 0.073 19.061 19.000 -0.020 0.000 0.933 73 A HN 0.402 nan 8.150 nan 0.000 0.506 74 L N -0.050 121.128 121.223 -0.076 0.000 2.023 74 L HA -0.066 4.274 4.340 -0.000 0.000 0.205 74 L C 2.221 178.984 176.870 -0.179 0.000 1.073 74 L CA 1.902 56.675 54.840 -0.113 0.000 0.745 74 L CB -0.905 41.072 42.059 -0.137 0.000 0.900 74 L HN 0.483 nan 8.230 nan 0.000 0.435 75 L N -0.376 120.694 121.223 -0.255 0.000 2.083 75 L HA -0.178 4.162 4.340 -0.000 0.000 0.209 75 L C 2.333 179.159 176.870 -0.073 0.000 1.083 75 L CA 1.746 56.398 54.840 -0.313 0.000 0.752 75 L CB -1.204 40.688 42.059 -0.278 0.000 0.899 75 L HN 0.355 nan 8.230 nan 0.000 0.433 76 T N -2.799 111.728 114.554 -0.044 0.000 3.129 76 T HA 0.144 4.494 4.350 -0.000 0.000 0.251 76 T C 0.683 175.396 174.700 0.021 0.000 1.117 76 T CA -0.336 61.765 62.100 0.002 0.000 1.034 76 T CB -0.250 68.614 68.868 -0.006 0.000 0.968 76 T HN -0.136 nan 8.240 nan 0.000 0.526 77 L N 4.095 125.329 121.223 0.018 0.000 2.559 77 L HA 0.249 4.589 4.340 -0.000 0.000 0.274 77 L C -1.634 175.275 176.870 0.065 0.000 1.205 77 L CA -1.993 52.870 54.840 0.038 0.000 0.907 77 L CB -0.370 41.711 42.059 0.037 0.000 1.153 77 L HN 0.159 nan 8.230 nan 0.000 0.490 78 P HA -0.065 nan 4.420 nan 0.000 0.270 78 P C 0.870 178.212 177.300 0.071 0.000 1.227 78 P CA -0.484 62.656 63.100 0.066 0.000 0.788 78 P CB 0.844 32.577 31.700 0.055 0.000 0.926 79 L N 1.496 122.758 121.223 0.065 0.000 2.027 79 L HA -0.159 4.181 4.340 -0.000 0.000 0.206 79 L C 2.235 179.136 176.870 0.052 0.000 1.074 79 L CA 1.793 56.668 54.840 0.058 0.000 0.745 79 L CB -1.428 40.651 42.059 0.034 0.000 0.898 79 L HN 0.182 nan 8.230 nan 0.000 0.433 80 L N -0.594 120.658 121.223 0.048 0.000 2.021 80 L HA -0.308 4.032 4.340 -0.000 0.000 0.215 80 L C 2.566 179.467 176.870 0.051 0.000 1.074 80 L CA 1.947 56.816 54.840 0.048 0.000 0.760 80 L CB -2.012 40.079 42.059 0.053 0.000 0.889 80 L HN 0.490 nan 8.230 nan 0.000 0.433 81 Q N -0.920 118.911 119.800 0.052 0.000 2.172 81 Q HA -0.170 4.170 4.340 -0.000 0.000 0.200 81 Q C 2.341 178.375 176.000 0.055 0.000 0.964 81 Q CA 0.836 56.669 55.803 0.050 0.000 0.855 81 Q CB -0.059 28.706 28.738 0.045 0.000 0.918 81 Q HN 0.330 nan 8.270 nan 0.000 0.444 82 L N 0.033 121.295 121.223 0.065 0.000 2.017 82 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 82 L C 2.206 179.121 176.870 0.076 0.000 1.073 82 L CA 1.398 56.283 54.840 0.076 0.000 0.745 82 L CB -0.622 41.501 42.059 0.106 0.000 0.894 82 L HN 0.069 nan 8.230 nan 0.000 0.432 83 V N -0.306 119.650 119.914 0.069 0.000 2.453 83 V HA -0.258 3.862 4.120 -0.000 0.000 0.247 83 V C 2.520 178.665 176.094 0.085 0.000 1.048 83 V CA 1.870 64.216 62.300 0.077 0.000 1.049 83 V CB -0.316 31.544 31.823 0.061 0.000 0.672 83 V HN 0.860 nan 8.190 nan 0.000 0.457 84 Q N 0.384 120.224 119.800 0.067 0.000 2.167 84 Q HA -0.158 4.182 4.340 -0.000 0.000 0.202 84 Q C 1.986 178.024 176.000 0.063 0.000 0.970 84 Q CA 1.934 57.773 55.803 0.060 0.000 0.855 84 Q CB -0.549 28.218 28.738 0.048 0.000 0.911 84 Q HN 0.560 nan 8.270 nan 0.000 0.438 85 K N -0.537 119.902 120.400 0.065 0.000 2.444 85 K HA 0.076 4.396 4.320 -0.000 0.000 0.193 85 K C 0.731 177.382 176.600 0.085 0.000 1.024 85 K CA -0.012 56.314 56.287 0.065 0.000 1.077 85 K CB 0.352 32.884 32.500 0.054 0.000 0.833 85 K HN 0.226 nan 8.250 nan 0.000 0.517 86 L N 0.110 121.399 121.223 0.110 0.000 2.388 86 L HA 0.033 4.373 4.340 -0.000 0.000 0.209 86 L C 2.209 179.216 176.870 0.228 0.000 1.061 86 L CA 1.363 56.304 54.840 0.167 0.000 0.834 86 L CB -0.545 41.608 42.059 0.156 0.000 1.029 86 L HN 0.057 nan 8.230 nan 0.000 0.473 87 Q N 0.213 120.109 119.800 0.161 0.000 2.079 87 Q HA -0.134 4.206 4.340 -0.000 0.000 0.200 87 Q C 2.348 178.372 176.000 0.040 0.000 0.974 87 Q CA 2.106 57.962 55.803 0.088 0.000 0.840 87 Q CB -0.147 28.627 28.738 0.059 0.000 0.898 87 Q HN 0.495 nan 8.270 nan 0.000 0.430 88 S N -1.613 114.118 115.700 0.052 0.000 2.453 88 S HA 0.118 4.588 4.470 -0.000 0.000 0.231 88 S C 1.459 176.085 174.600 0.043 0.000 1.005 88 S CA 0.798 59.020 58.200 0.036 0.000 0.949 88 S CB -0.317 62.904 63.200 0.036 0.000 0.774 88 S HN 0.754 nan 8.310 nan 0.000 0.510 89 G N 0.972 109.815 108.800 0.071 0.000 2.136 89 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.242 89 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.242 89 G C 0.394 175.334 174.900 0.067 0.000 0.989 89 G CA 0.511 45.660 45.100 0.081 0.000 0.682 89 G HN 0.580 nan 8.290 nan 0.000 0.522 90 E N -0.866 119.370 120.200 0.060 0.000 2.110 90 E HA 0.074 4.424 4.350 -0.000 0.000 0.193 90 E C 1.153 177.786 176.600 0.055 0.000 0.988 90 E CA 0.685 57.115 56.400 0.049 0.000 0.804 90 E CB -0.021 29.704 29.700 0.042 0.000 0.745 90 E HN 0.672 nan 8.360 nan 0.000 0.458 91 L N 0.243 121.507 121.223 0.069 0.000 2.330 91 L HA 0.296 4.636 4.340 -0.000 0.000 0.271 91 L C 0.142 177.071 176.870 0.097 0.000 1.013 91 L CA -0.991 53.895 54.840 0.077 0.000 0.816 91 L CB 1.767 43.868 42.059 0.070 0.000 1.287 91 L HN -0.103 nan 8.230 nan 0.000 0.435 92 S N 0.820 116.582 115.700 0.105 0.000 2.610 92 S HA 0.395 4.865 4.470 -0.000 0.000 0.273 92 S C -1.972 172.691 174.600 0.105 0.000 1.274 92 S CA -1.082 57.189 58.200 0.119 0.000 1.023 92 S CB 1.403 64.679 63.200 0.127 0.000 0.962 92 S HN 0.421 nan 8.310 nan 0.000 0.523 93 P HA -0.011 nan 4.420 nan 0.000 0.218 93 P C 0.800 178.153 177.300 0.088 0.000 1.149 93 P CA 1.047 64.141 63.100 -0.010 0.000 0.817 93 P CB 0.056 31.688 31.700 -0.113 0.000 0.785 94 E N -0.553 119.745 120.200 0.163 0.000 2.216 94 E HA -0.022 4.328 4.350 -0.000 0.000 0.192 94 E C 2.088 178.841 176.600 0.255 0.000 0.988 94 E CA 1.091 57.663 56.400 0.287 0.000 0.834 94 E CB -1.030 28.828 29.700 0.264 0.000 0.772 94 E HN 0.137 nan 8.360 nan 0.000 0.479 95 A N 0.555 123.526 122.820 0.252 0.000 1.897 95 A HA -0.118 4.202 4.320 -0.000 0.000 0.215 95 A C 2.401 180.051 177.584 0.110 0.000 1.181 95 A CA 1.646 53.855 52.037 0.286 0.000 0.620 95 A CB -0.703 18.440 19.000 0.237 0.000 0.821 95 A HN 0.227 nan 8.150 nan 0.000 0.443 96 V N -3.645 116.321 119.914 0.088 0.000 2.535 96 V HA -0.047 4.073 4.120 -0.000 0.000 0.246 96 V C 2.262 178.377 176.094 0.035 0.000 1.045 96 V CA 1.593 63.922 62.300 0.049 0.000 1.058 96 V CB -1.199 30.673 31.823 0.082 0.000 0.689 96 V HN 0.413 nan 8.190 nan 0.000 0.461 97 F N 1.092 120.967 119.950 -0.125 0.000 2.102 97 F HA -0.054 4.473 4.527 -0.000 0.000 0.298 97 F C 1.996 177.546 175.800 -0.416 0.000 1.105 97 F CA 2.040 59.863 58.000 -0.295 0.000 1.239 97 F CB -0.223 38.571 39.000 -0.344 0.000 0.991 97 F HN 0.134 nan 8.300 nan 0.000 0.474 98 F N 0.197 119.838 119.950 -0.514 0.000 2.558 98 F HA -0.074 4.453 4.527 -0.000 0.000 0.298 98 F C 2.332 177.786 175.800 -0.576 0.000 1.119 98 F CA 1.298 58.838 58.000 -0.766 0.000 1.451 98 F CB -0.862 37.340 39.000 -1.331 0.000 1.091 98 F HN -0.100 nan 8.300 nan 0.000 0.563 99 T N -1.218 113.180 114.554 -0.258 0.000 2.701 99 T HA -0.198 4.152 4.350 -0.000 0.000 0.263 99 T C 1.624 176.178 174.700 -0.243 0.000 1.040 99 T CA 1.356 63.346 62.100 -0.184 0.000 1.147 99 T CB -0.558 68.207 68.868 -0.173 0.000 0.865 99 T HN 0.115 nan 8.240 nan 0.000 0.426 100 Y N 1.191 121.308 120.300 -0.305 0.000 2.145 100 Y HA 0.060 4.610 4.550 -0.000 0.000 0.286 100 Y C 2.301 177.953 175.900 -0.413 0.000 1.145 100 Y CA 0.195 58.089 58.100 -0.343 0.000 1.148 100 Y CB -0.652 37.546 38.460 -0.437 0.000 0.981 100 Y HN 0.099 nan 8.280 nan 0.000 0.507 101 L N -0.891 120.019 121.223 -0.522 0.000 2.129 101 L HA -0.233 4.107 4.340 -0.000 0.000 0.212 101 L C 2.337 179.100 176.870 -0.179 0.000 1.087 101 L CA 1.681 56.220 54.840 -0.502 0.000 0.757 101 L CB -0.940 40.559 42.059 -0.934 0.000 0.896 101 L HN 0.402 nan 8.230 nan 0.000 0.434 102 G N -0.500 108.212 108.800 -0.147 0.000 2.404 102 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.215 102 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.215 102 G C 1.612 176.557 174.900 0.074 0.000 1.174 102 G CA 0.712 45.795 45.100 -0.028 0.000 0.780 102 G HN 0.180 nan 8.290 nan 0.000 0.537 103 K N 1.187 121.609 120.400 0.037 0.000 2.057 103 K HA 0.160 4.480 4.320 -0.000 0.000 0.206 103 K C 2.726 179.399 176.600 0.122 0.000 1.050 103 K CA 1.410 57.742 56.287 0.075 0.000 0.935 103 K CB -0.815 31.716 32.500 0.051 0.000 0.715 103 K HN 0.158 nan 8.250 nan 0.000 0.439 104 A N -0.138 122.772 122.820 0.150 0.000 1.884 104 A HA -0.236 4.084 4.320 -0.000 0.000 0.219 104 A C 2.228 179.895 177.584 0.137 0.000 1.197 104 A CA 1.967 54.106 52.037 0.171 0.000 0.637 104 A CB -1.378 17.796 19.000 0.290 0.000 0.827 104 A HN 0.669 nan 8.150 nan 0.000 0.450 105 W N 0.205 121.497 121.300 -0.014 0.000 2.363 105 W HA -0.155 4.505 4.660 -0.000 0.000 0.296 105 W C 2.194 178.700 176.519 -0.021 0.000 1.212 105 W CA 1.962 59.289 57.345 -0.030 0.000 1.260 105 W CB -0.027 29.400 29.460 -0.056 0.000 1.131 105 W HN 0.497 nan 8.180 nan 0.000 0.530 106 E N -0.440 119.918 120.200 0.263 0.000 2.072 106 E HA -0.209 4.141 4.350 -0.000 0.000 0.190 106 E C 2.211 178.804 176.600 -0.012 0.000 0.982 106 E CA 2.211 58.714 56.400 0.171 0.000 0.803 106 E CB -0.273 29.529 29.700 0.171 0.000 0.755 106 E HN 0.217 nan 8.360 nan 0.000 0.453 107 V N -0.431 119.475 119.914 -0.014 0.000 2.667 107 V HA -0.098 4.022 4.120 -0.000 0.000 0.252 107 V C 1.801 177.839 176.094 -0.093 0.000 1.065 107 V CA 1.880 64.153 62.300 -0.045 0.000 1.083 107 V CB -0.648 31.165 31.823 -0.016 0.000 0.692 107 V HN 0.156 nan 8.190 nan 0.000 0.468 108 N N 0.797 119.409 118.700 -0.147 0.000 2.459 108 N HA -0.107 4.633 4.740 -0.000 0.000 0.181 108 N C 1.694 177.052 175.510 -0.253 0.000 1.046 108 N CA 1.090 54.022 53.050 -0.196 0.000 0.904 108 N CB -0.365 37.979 38.487 -0.239 0.000 0.964 108 N HN 0.551 nan 8.380 nan 0.000 0.444 109 K N -1.185 119.032 120.400 -0.305 0.000 2.148 109 K HA 0.037 4.357 4.320 -0.000 0.000 0.204 109 K C 1.633 178.143 176.600 -0.149 0.000 1.050 109 K CA 1.292 57.418 56.287 -0.268 0.000 0.942 109 K CB -0.162 32.174 32.500 -0.272 0.000 0.724 109 K HN 0.301 nan 8.250 nan 0.000 0.446 110 G N -1.241 107.491 108.800 -0.113 0.000 2.719 110 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.211 110 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.211 110 G C 1.327 176.194 174.900 -0.054 0.000 1.140 110 G CA 0.781 45.838 45.100 -0.071 0.000 0.790 110 G HN 0.419 nan 8.290 nan 0.000 0.529 111 T N -3.075 111.443 114.554 -0.061 0.000 3.000 111 T HA 0.101 4.451 4.350 -0.000 0.000 0.248 111 T C 1.178 175.856 174.700 -0.036 0.000 1.034 111 T CA 0.689 62.768 62.100 -0.035 0.000 1.060 111 T CB -0.049 68.806 68.868 -0.022 0.000 0.983 111 T HN 0.176 nan 8.240 nan 0.000 0.482 112 N N 0.520 119.182 118.700 -0.064 0.000 2.725 112 N HA -0.193 4.547 4.740 -0.000 0.000 0.249 112 N C 0.652 176.130 175.510 -0.053 0.000 1.103 112 N CA 0.749 53.763 53.050 -0.060 0.000 0.707 112 N CB -2.142 36.328 38.487 -0.029 0.000 1.043 112 N HN 0.842 nan 8.380 nan 0.000 0.553 113 C N -2.284 116.979 119.300 -0.063 0.000 2.551 113 C HA 0.555 5.015 4.460 -0.000 0.000 0.284 113 C C 0.755 175.687 174.990 -0.097 0.000 1.329 113 C CA -0.726 58.257 59.018 -0.058 0.000 1.683 113 C CB -1.377 26.340 27.740 -0.039 0.000 1.730 113 C HN 0.196 nan 8.230 nan 0.000 0.591 114 V N 1.166 121.006 119.914 -0.123 0.000 2.487 114 V HA 0.350 4.470 4.120 -0.000 0.000 0.298 114 V C 0.678 176.634 176.094 -0.231 0.000 1.028 114 V CA 0.218 62.426 62.300 -0.152 0.000 0.860 114 V CB 1.684 33.439 31.823 -0.113 0.000 0.991 114 V HN 0.438 nan 8.190 nan 0.000 0.427 115 T N 2.193 116.566 114.554 -0.302 0.000 2.988 115 T HA 0.132 4.482 4.350 -0.000 0.000 0.240 115 T C 0.590 175.088 174.700 -0.337 0.000 1.014 115 T CA 1.056 62.806 62.100 -0.583 0.000 1.155 115 T CB 0.366 68.854 68.868 -0.633 0.000 0.872 115 T HN 0.789 nan 8.240 nan 0.000 0.440 116 S N 0.079 115.690 115.700 -0.147 0.000 2.533 116 S HA 0.511 4.981 4.470 -0.000 0.000 0.271 116 S C -1.324 173.242 174.600 -0.056 0.000 1.143 116 S CA -0.956 57.230 58.200 -0.022 0.000 0.891 116 S CB 0.966 64.222 63.200 0.094 0.000 1.105 116 S HN 0.377 nan 8.310 nan 0.000 0.468 117 Y N 3.619 123.866 120.300 -0.089 0.000 2.402 117 Y HA 0.487 5.037 4.550 -0.000 0.000 0.333 117 Y C -0.219 175.564 175.900 -0.196 0.000 1.076 117 Y CA -0.789 57.249 58.100 -0.103 0.000 1.299 117 Y CB 0.580 39.050 38.460 0.018 0.000 1.197 117 Y HN 0.653 nan 8.280 nan 0.000 0.517 118 L N 7.837 128.552 121.223 -0.846 0.000 2.480 118 L HA 0.028 4.368 4.340 -0.000 0.000 0.243 118 L C 1.776 178.210 176.870 -0.728 0.000 1.315 118 L CA 0.540 54.729 54.840 -1.086 0.000 1.231 118 L CB -1.217 40.025 42.059 -1.362 0.000 1.444 118 L HN 0.996 nan 8.230 nan 0.000 0.409 119 T N -1.994 112.322 114.554 -0.397 0.000 2.760 119 T HA -0.259 4.091 4.350 -0.000 0.000 0.269 119 T C 1.060 175.664 174.700 -0.160 0.000 1.047 119 T CA 1.530 63.438 62.100 -0.321 0.000 1.139 119 T CB -0.495 68.419 68.868 0.077 0.000 0.855 119 T HN 0.586 nan 8.240 nan 0.000 0.471 120 D N 1.543 121.923 120.400 -0.032 0.000 2.346 120 D HA 0.101 4.741 4.640 -0.000 0.000 0.248 120 D C 1.090 177.370 176.300 -0.034 0.000 1.173 120 D CA -0.080 53.930 54.000 0.016 0.000 0.878 120 D CB -1.338 39.513 40.800 0.086 0.000 0.919 120 D HN 0.800 nan 8.370 nan 0.000 0.513 121 C N -1.290 117.920 119.300 -0.150 0.000 2.640 121 C HA 0.380 4.840 4.460 -0.000 0.000 0.330 121 C C 1.501 176.352 174.990 -0.230 0.000 1.416 121 C CA -0.439 58.427 59.018 -0.254 0.000 2.396 121 C CB 0.333 27.848 27.740 -0.375 0.000 2.330 121 C HN 0.590 nan 8.230 nan 0.000 0.704 122 E N -1.785 118.181 120.200 -0.390 0.000 4.205 122 E HA -0.293 4.057 4.350 -0.000 0.000 0.310 122 E C 1.103 177.661 176.600 -0.070 0.000 0.654 122 E CA 1.867 58.163 56.400 -0.173 0.000 1.279 122 E CB -2.041 27.701 29.700 0.070 0.000 1.720 122 E HN 0.989 nan 8.360 nan 0.000 0.403 123 T N -2.134 112.379 114.554 -0.068 0.000 3.060 123 T HA 0.127 4.477 4.350 -0.000 0.000 0.249 123 T C 1.472 176.134 174.700 -0.063 0.000 1.079 123 T CA 0.830 62.906 62.100 -0.041 0.000 1.013 123 T CB 0.448 69.308 68.868 -0.014 0.000 0.975 123 T HN 0.067 nan 8.240 nan 0.000 0.518 124 Q N 0.624 120.356 119.800 -0.112 0.000 2.396 124 Q HA 0.382 4.722 4.340 -0.000 0.000 0.209 124 Q C 1.808 177.712 176.000 -0.161 0.000 0.906 124 Q CA 0.502 56.234 55.803 -0.119 0.000 0.927 124 Q CB -0.516 28.155 28.738 -0.112 0.000 1.069 124 Q HN 0.517 nan 8.270 nan 0.000 0.523 125 L N -0.592 120.497 121.223 -0.224 0.000 2.072 125 L HA -0.084 4.256 4.340 -0.000 0.000 0.205 125 L C 2.154 178.982 176.870 -0.070 0.000 1.079 125 L CA 1.142 55.864 54.840 -0.197 0.000 0.752 125 L CB -0.328 41.593 42.059 -0.230 0.000 0.906 125 L HN 0.152 nan 8.230 nan 0.000 0.436 126 S N -0.539 115.137 115.700 -0.040 0.000 2.343 126 S HA -0.187 4.283 4.470 -0.000 0.000 0.219 126 S C 1.427 176.040 174.600 0.022 0.000 1.033 126 S CA 1.568 59.771 58.200 0.006 0.000 1.014 126 S CB -0.333 62.871 63.200 0.005 0.000 0.915 126 S HN 0.550 nan 8.310 nan 0.000 0.435 127 Q N 0.236 120.040 119.800 0.006 0.000 2.730 127 Q HA 0.749 5.089 4.340 -0.000 0.000 0.244 127 Q C -0.451 175.563 176.000 0.023 0.000 1.176 127 Q CA -0.239 55.575 55.803 0.018 0.000 1.024 127 Q CB 0.261 29.000 28.738 0.001 0.000 1.215 127 Q HN 0.546 nan 8.270 nan 0.000 0.542 128 A N 2.244 125.111 122.820 0.078 0.000 2.318 128 A HA 0.839 5.159 4.320 -0.000 0.000 0.324 128 A C -2.644 175.077 177.584 0.227 0.000 1.170 128 A CA -1.855 50.260 52.037 0.130 0.000 0.810 128 A CB 0.997 20.048 19.000 0.085 0.000 1.198 128 A HN 0.508 nan 8.150 nan 0.000 0.484 129 P HA 0.167 nan 4.420 nan 0.000 0.271 129 P C 0.701 178.031 177.300 0.049 0.000 1.233 129 P CA -0.284 62.867 63.100 0.086 0.000 0.764 129 P CB 0.653 32.389 31.700 0.060 0.000 0.825 130 R N 3.466 123.879 120.500 -0.144 0.000 2.090 130 R HA -0.115 4.225 4.340 -0.000 0.000 0.228 130 R C 1.910 177.967 176.300 -0.405 0.000 1.110 130 R CA 1.839 57.618 56.100 -0.534 0.000 0.973 130 R CB -0.465 29.600 30.300 -0.392 0.000 0.869 130 R HN 0.581 nan 8.270 nan 0.000 0.440 131 Q N 0.154 119.855 119.800 -0.165 0.000 2.280 131 Q HA 0.215 4.555 4.340 -0.000 0.000 0.202 131 Q C 0.604 176.595 176.000 -0.015 0.000 0.903 131 Q CA 0.478 56.230 55.803 -0.084 0.000 0.948 131 Q CB 0.106 28.813 28.738 -0.052 0.000 1.058 131 Q HN 0.440 nan 8.270 nan 0.000 0.493 132 G N 0.130 108.944 108.800 0.024 0.000 2.406 132 G HA2 0.369 4.329 3.960 -0.000 0.000 0.251 132 G HA3 0.369 4.329 3.960 -0.000 0.000 0.251 132 G C 0.590 175.541 174.900 0.085 0.000 1.271 132 G CA -0.537 44.608 45.100 0.074 0.000 0.859 132 G HN 0.278 nan 8.290 nan 0.000 0.540 133 L N 1.696 122.949 121.223 0.050 0.000 2.633 133 L HA 0.151 4.491 4.340 -0.000 0.000 0.235 133 L C 1.650 178.539 176.870 0.031 0.000 1.163 133 L CA 1.008 55.866 54.840 0.029 0.000 0.859 133 L CB -0.724 41.332 42.059 -0.005 0.000 0.973 133 L HN 0.500 nan 8.230 nan 0.000 0.451 134 L N -2.800 118.453 121.223 0.051 0.000 3.313 134 L HA 0.065 4.405 4.340 -0.000 0.000 0.320 134 L C 1.323 178.229 176.870 0.061 0.000 1.304 134 L CA -0.245 54.617 54.840 0.036 0.000 0.920 134 L CB -0.036 42.019 42.059 -0.007 0.000 1.357 134 L HN 0.025 nan 8.230 nan 0.000 0.602 135 Y N 1.357 121.655 120.300 -0.003 0.000 2.102 135 Y HA -0.293 4.257 4.550 -0.000 0.000 0.280 135 Y C 2.022 177.925 175.900 0.005 0.000 1.178 135 Y CA 2.187 60.287 58.100 0.000 0.000 1.146 135 Y CB 0.250 38.713 38.460 0.006 0.000 0.968 135 Y HN 0.290 nan 8.280 nan 0.000 0.504 136 G N -0.636 108.039 108.800 -0.209 0.000 2.603 136 G HA2 0.044 4.004 3.960 -0.000 0.000 0.214 136 G HA3 0.044 4.004 3.960 -0.000 0.000 0.214 136 G C -0.007 174.799 174.900 -0.157 0.000 1.140 136 G CA 0.344 45.269 45.100 -0.291 0.000 0.800 136 G HN 0.149 nan 8.290 nan 0.000 0.533 137 V N 3.491 123.352 119.914 -0.089 0.000 2.427 137 V HA 0.212 4.332 4.120 -0.000 0.000 0.268 137 V C -1.946 174.117 176.094 -0.051 0.000 1.046 137 V CA -1.714 60.556 62.300 -0.051 0.000 0.970 137 V CB 1.185 32.986 31.823 -0.038 0.000 1.001 137 V HN 0.078 nan 8.190 nan 0.000 0.476 138 P HA 0.210 nan 4.420 nan 0.000 0.271 138 P C -0.642 176.727 177.300 0.115 0.000 1.220 138 P CA 0.103 63.190 63.100 -0.022 0.000 0.768 138 P CB 0.964 32.449 31.700 -0.359 0.000 0.848 139 V N 0.392 120.487 119.914 0.301 0.000 2.588 139 V HA 0.662 4.782 4.120 -0.000 0.000 0.304 139 V C -0.197 175.853 176.094 -0.074 0.000 1.042 139 V CA -0.970 61.396 62.300 0.110 0.000 0.877 139 V CB 1.649 33.455 31.823 -0.029 0.000 0.996 139 V HN 0.526 nan 8.190 nan 0.000 0.425 140 S N 5.545 121.106 115.700 -0.232 0.000 2.475 140 S HA 0.795 5.265 4.470 -0.000 0.000 0.281 140 S C -0.462 173.961 174.600 -0.295 0.000 1.198 140 S CA -0.680 57.245 58.200 -0.459 0.000 1.063 140 S CB 0.861 63.824 63.200 -0.396 0.000 0.972 140 S HN 0.758 nan 8.310 nan 0.000 0.486 141 L N 2.527 123.595 121.223 -0.259 0.000 2.317 141 L HA 0.504 4.844 4.340 -0.000 0.000 0.281 141 L C 0.470 177.347 176.870 0.011 0.000 1.024 141 L CA -0.863 53.886 54.840 -0.153 0.000 0.810 141 L CB 1.279 43.317 42.059 -0.035 0.000 1.240 141 L HN 0.650 nan 8.230 nan 0.000 0.427 142 K N 1.632 122.103 120.400 0.118 0.000 2.448 142 K HA -0.086 4.234 4.320 -0.000 0.000 0.278 142 K C 1.111 177.799 176.600 0.146 0.000 1.009 142 K CA 0.140 56.549 56.287 0.204 0.000 0.995 142 K CB 0.842 33.543 32.500 0.336 0.000 0.917 142 K HN 0.685 nan 8.250 nan 0.000 0.481 143 E N 2.894 123.026 120.200 -0.113 0.000 2.208 143 E HA -0.284 4.066 4.350 -0.000 0.000 0.202 143 E C 1.239 177.614 176.600 -0.376 0.000 1.014 143 E CA 2.245 58.386 56.400 -0.432 0.000 0.819 143 E CB -0.302 29.267 29.700 -0.217 0.000 0.735 143 E HN 0.742 nan 8.360 nan 0.000 0.469 144 C N -0.235 118.965 119.300 -0.167 0.000 2.546 144 C HA 0.273 4.733 4.460 -0.000 0.000 0.275 144 C C 0.379 175.223 174.990 -0.244 0.000 1.393 144 C CA -0.972 57.933 59.018 -0.189 0.000 1.703 144 C CB -1.993 25.613 27.740 -0.225 0.000 1.710 144 C HN 0.139 nan 8.230 nan 0.000 0.581 145 F N 3.168 123.108 119.950 -0.017 0.000 2.335 145 F HA 0.344 4.871 4.527 -0.000 0.000 0.365 145 F C 1.063 176.991 175.800 0.214 0.000 1.122 145 F CA -0.249 57.807 58.000 0.094 0.000 1.151 145 F CB 0.600 39.664 39.000 0.106 0.000 1.282 145 F HN 0.198 nan 8.300 nan 0.000 0.513 146 S N 3.440 119.312 115.700 0.286 0.000 2.510 146 S HA 0.254 4.724 4.470 -0.000 0.000 0.279 146 S C -0.993 173.794 174.600 0.311 0.000 1.284 146 S CA -0.428 57.939 58.200 0.279 0.000 1.059 146 S CB 0.338 63.633 63.200 0.158 0.000 0.901 146 S HN 0.551 nan 8.310 nan 0.000 0.491 147 Y N 1.654 122.079 120.300 0.208 0.000 2.331 147 Y HA 0.477 5.027 4.550 -0.000 0.000 0.334 147 Y C 0.441 176.414 175.900 0.123 0.000 0.960 147 Y CA -0.525 57.632 58.100 0.096 0.000 1.130 147 Y CB 0.804 39.210 38.460 -0.090 0.000 1.164 147 Y HN 0.979 nan 8.280 nan 0.000 0.458 148 K N 3.049 123.425 120.400 -0.040 0.000 2.511 148 K HA 0.326 4.646 4.320 -0.000 0.000 0.277 148 K C 1.169 177.878 176.600 0.182 0.000 1.025 148 K CA 0.868 57.173 56.287 0.029 0.000 1.112 148 K CB -1.147 31.301 32.500 -0.087 0.000 0.859 148 K HN 1.714 nan 8.250 nan 0.000 0.485 149 G N 1.216 110.085 108.800 0.115 0.000 2.205 149 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.261 149 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.261 149 G C 0.302 175.159 174.900 -0.071 0.000 0.980 149 G CA 0.538 45.658 45.100 0.032 0.000 0.632 149 G HN 1.063 nan 8.290 nan 0.000 0.533 150 H N 0.349 119.503 119.070 0.140 0.000 2.616 150 H HA 0.482 5.038 4.556 -0.000 0.000 0.353 150 H C -1.042 174.399 175.328 0.189 0.000 1.170 150 H CA -0.595 55.542 56.048 0.148 0.000 1.212 150 H CB 1.654 31.474 29.762 0.097 0.000 1.653 150 H HN 0.103 nan 8.280 nan 0.000 0.537 151 D N 0.606 121.187 120.400 0.303 0.000 2.313 151 D HA 0.125 4.765 4.640 -0.000 0.000 0.239 151 D C -0.300 176.146 176.300 0.243 0.000 1.142 151 D CA -0.066 54.071 54.000 0.229 0.000 0.847 151 D CB 0.844 41.764 40.800 0.199 0.000 1.082 151 D HN 0.259 nan 8.370 nan 0.000 0.480 152 S N 1.376 117.180 115.700 0.173 0.000 3.812 152 S HA 0.085 4.555 4.470 -0.000 0.000 0.195 152 S C 0.448 175.092 174.600 0.074 0.000 1.460 152 S CA -0.647 57.605 58.200 0.087 0.000 1.052 152 S CB -0.364 62.876 63.200 0.065 0.000 1.385 152 S HN 0.521 nan 8.310 nan 0.000 0.490 153 T N 0.956 115.575 114.554 0.108 0.000 2.853 153 T HA 0.143 4.493 4.350 -0.000 0.000 0.298 153 T C 0.613 175.354 174.700 0.067 0.000 0.978 153 T CA -0.547 61.601 62.100 0.080 0.000 1.152 153 T CB 0.141 69.073 68.868 0.107 0.000 0.914 153 T HN 0.108 nan 8.240 nan 0.000 0.539 154 L N 4.369 125.597 121.223 0.009 0.000 2.715 154 L HA 0.347 4.687 4.340 -0.000 0.000 0.238 154 L C 1.985 178.866 176.870 0.018 0.000 1.212 154 L CA 0.843 55.686 54.840 0.004 0.000 1.017 154 L CB -0.940 41.100 42.059 -0.032 0.000 1.269 154 L HN 1.230 nan 8.230 nan 0.000 0.452 155 G N -0.824 108.005 108.800 0.047 0.000 2.143 155 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.249 155 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.249 155 G C -0.018 174.835 174.900 -0.078 0.000 0.981 155 G CA -0.227 44.880 45.100 0.011 0.000 0.665 155 G HN 0.151 nan 8.290 nan 0.000 0.528 156 L N 1.404 122.559 121.223 -0.114 0.000 2.313 156 L HA 0.556 4.896 4.340 -0.000 0.000 0.283 156 L C 1.678 178.471 176.870 -0.127 0.000 1.013 156 L CA 0.267 54.996 54.840 -0.185 0.000 0.816 156 L CB 1.222 43.124 42.059 -0.260 0.000 1.236 156 L HN 0.140 nan 8.230 nan 0.000 0.419 157 S N 2.743 118.373 115.700 -0.116 0.000 2.440 157 S HA -0.164 4.306 4.470 -0.000 0.000 0.238 157 S C 1.714 176.268 174.600 -0.077 0.000 1.010 157 S CA 0.413 58.563 58.200 -0.084 0.000 0.972 157 S CB -0.185 62.977 63.200 -0.064 0.000 0.774 157 S HN 0.538 nan 8.310 nan 0.000 0.501 158 L N 2.816 123.979 121.223 -0.099 0.000 2.129 158 L HA -0.143 4.197 4.340 -0.000 0.000 0.212 158 L C 0.973 177.816 176.870 -0.045 0.000 1.087 158 L CA 1.722 56.515 54.840 -0.078 0.000 0.757 158 L CB -1.270 40.727 42.059 -0.103 0.000 0.896 158 L HN 0.379 nan 8.230 nan 0.000 0.434 159 N N -1.787 116.890 118.700 -0.038 0.000 2.205 159 N HA -0.036 4.704 4.740 -0.000 0.000 0.201 159 N C 1.291 176.810 175.510 0.015 0.000 1.128 159 N CA 0.344 53.391 53.050 -0.004 0.000 0.867 159 N CB 0.127 38.618 38.487 0.007 0.000 0.996 159 N HN 0.212 nan 8.380 nan 0.000 0.503 160 E N 1.500 121.699 120.200 -0.001 0.000 2.418 160 E HA -0.001 4.349 4.350 -0.000 0.000 0.197 160 E C 1.676 178.288 176.600 0.021 0.000 1.026 160 E CA 0.807 57.214 56.400 0.011 0.000 0.862 160 E CB -0.435 29.249 29.700 -0.028 0.000 0.799 160 E HN 0.332 nan 8.360 nan 0.000 0.518 161 G N 1.403 110.211 108.800 0.013 0.000 2.616 161 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.215 161 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.215 161 G C 0.830 175.747 174.900 0.029 0.000 1.284 161 G CA 0.945 46.055 45.100 0.017 0.000 0.823 161 G HN 0.397 nan 8.290 nan 0.000 0.569 162 M N 1.904 121.522 119.600 0.030 0.000 2.194 162 M HA 0.368 4.848 4.480 -0.000 0.000 0.347 162 M C -2.852 173.479 176.300 0.052 0.000 1.439 162 M CA -1.673 53.648 55.300 0.034 0.000 1.131 162 M CB 0.937 33.554 32.600 0.028 0.000 1.733 162 M HN -0.092 nan 8.290 nan 0.000 0.467 163 P HA 0.202 nan 4.420 nan 0.000 0.279 163 P C -0.638 176.701 177.300 0.065 0.000 1.239 163 P CA -0.290 62.848 63.100 0.063 0.000 0.789 163 P CB 0.653 32.371 31.700 0.030 0.000 0.933 164 S N 0.215 115.971 115.700 0.094 0.000 2.531 164 S HA 0.270 4.740 4.470 -0.000 0.000 0.279 164 S C 1.648 176.281 174.600 0.055 0.000 1.305 164 S CA -0.032 58.215 58.200 0.079 0.000 1.058 164 S CB 0.249 63.515 63.200 0.109 0.000 0.899 164 S HN 0.577 nan 8.310 nan 0.000 0.493 165 E N 2.257 122.476 120.200 0.031 0.000 2.097 165 E HA -0.089 4.261 4.350 -0.000 0.000 0.196 165 E C 1.056 177.657 176.600 0.002 0.000 1.000 165 E CA 1.636 58.044 56.400 0.014 0.000 0.804 165 E CB -0.320 29.384 29.700 0.006 0.000 0.740 165 E HN 0.706 nan 8.360 nan 0.000 0.454 166 S N -0.537 115.164 115.700 0.002 0.000 2.599 166 S HA 0.462 4.932 4.470 -0.000 0.000 0.294 166 S C -1.515 173.065 174.600 -0.034 0.000 1.094 166 S CA -0.766 57.420 58.200 -0.023 0.000 0.931 166 S CB 1.560 64.748 63.200 -0.019 0.000 1.093 166 S HN 0.311 nan 8.310 nan 0.000 0.488 167 D N 1.871 122.214 120.400 -0.096 0.000 2.389 167 D HA 0.226 4.866 4.640 -0.000 0.000 0.247 167 D C 0.648 176.929 176.300 -0.031 0.000 1.128 167 D CA -0.158 53.764 54.000 -0.130 0.000 0.884 167 D CB 0.499 41.155 40.800 -0.240 0.000 1.194 167 D HN 0.703 nan 8.370 nan 0.000 0.441 168 C N 1.041 120.364 119.300 0.039 0.000 2.639 168 C HA 0.230 4.690 4.460 -0.000 0.000 0.360 168 C C 2.030 177.061 174.990 0.069 0.000 1.351 168 C CA -0.797 58.271 59.018 0.084 0.000 2.408 168 C CB 0.175 28.015 27.740 0.167 0.000 2.517 168 C HN 0.469 nan 8.230 nan 0.000 0.696 169 V N 2.246 122.207 119.914 0.078 0.000 2.323 169 V HA -0.141 3.979 4.120 -0.000 0.000 0.244 169 V C 2.534 178.657 176.094 0.048 0.000 1.041 169 V CA 2.430 64.759 62.300 0.048 0.000 1.025 169 V CB -0.558 31.294 31.823 0.048 0.000 0.656 169 V HN 0.964 nan 8.190 nan 0.000 0.451 170 V N -2.143 117.832 119.914 0.102 0.000 2.515 170 V HA -0.156 3.964 4.120 -0.000 0.000 0.250 170 V C 2.264 178.372 176.094 0.023 0.000 1.058 170 V CA 1.621 63.965 62.300 0.072 0.000 1.064 170 V CB -1.012 30.886 31.823 0.125 0.000 0.675 170 V HN 0.306 nan 8.190 nan 0.000 0.461 171 V N 0.127 120.076 119.914 0.057 0.000 2.287 171 V HA -0.339 3.781 4.120 -0.000 0.000 0.248 171 V C 2.821 178.895 176.094 -0.033 0.000 1.053 171 V CA 2.589 64.902 62.300 0.022 0.000 1.027 171 V CB -0.798 31.070 31.823 0.075 0.000 0.646 171 V HN 0.555 nan 8.190 nan 0.000 0.447 172 Q N -0.605 119.167 119.800 -0.047 0.000 2.096 172 Q HA -0.228 4.112 4.340 -0.000 0.000 0.208 172 Q C 2.241 178.188 176.000 -0.087 0.000 0.993 172 Q CA 2.492 58.248 55.803 -0.079 0.000 0.862 172 Q CB -0.317 28.379 28.738 -0.069 0.000 0.915 172 Q HN 0.706 nan 8.270 nan 0.000 0.416 173 V N -1.721 118.155 119.914 -0.063 0.000 3.541 173 V HA -0.008 4.112 4.120 -0.000 0.000 0.267 173 V C 1.560 177.624 176.094 -0.050 0.000 1.213 173 V CA 0.736 62.997 62.300 -0.064 0.000 1.149 173 V CB -0.233 31.566 31.823 -0.041 0.000 0.822 173 V HN 0.271 nan 8.190 nan 0.000 0.462 174 L N -0.257 120.937 121.223 -0.049 0.000 2.179 174 L HA 0.029 4.369 4.340 -0.000 0.000 0.208 174 L C 2.733 179.579 176.870 -0.039 0.000 1.096 174 L CA 1.516 56.329 54.840 -0.044 0.000 0.779 174 L CB -0.427 41.603 42.059 -0.049 0.000 0.922 174 L HN 0.246 nan 8.230 nan 0.000 0.443 175 K N 0.214 120.583 120.400 -0.052 0.000 2.103 175 K HA -0.055 4.265 4.320 -0.000 0.000 0.204 175 K C 1.928 178.489 176.600 -0.065 0.000 1.052 175 K CA 0.976 57.229 56.287 -0.057 0.000 0.945 175 K CB -0.058 32.397 32.500 -0.076 0.000 0.722 175 K HN 0.234 nan 8.250 nan 0.000 0.443 176 L N 0.419 121.579 121.223 -0.105 0.000 2.465 176 L HA -0.096 4.244 4.340 -0.000 0.000 0.224 176 L C 1.751 178.609 176.870 -0.021 0.000 1.145 176 L CA 0.714 55.467 54.840 -0.146 0.000 0.834 176 L CB 0.013 41.825 42.059 -0.412 0.000 0.944 176 L HN 0.093 nan 8.230 nan 0.000 0.451 177 Q N -0.703 119.099 119.800 0.003 0.000 2.171 177 Q HA 0.229 4.569 4.340 -0.000 0.000 0.218 177 Q C 1.133 177.163 176.000 0.050 0.000 0.822 177 Q CA 0.576 56.401 55.803 0.038 0.000 0.987 177 Q CB 1.045 29.795 28.738 0.020 0.000 1.144 177 Q HN 0.303 nan 8.270 nan 0.000 0.494 178 G N -0.832 107.993 108.800 0.042 0.000 2.194 178 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.236 178 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.236 178 G C 0.316 175.204 174.900 -0.020 0.000 0.987 178 G CA -0.085 45.058 45.100 0.072 0.000 0.635 178 G HN 0.589 nan 8.290 nan 0.000 0.520 179 A N -0.179 122.626 122.820 -0.025 0.000 2.425 179 A HA 0.635 4.955 4.320 -0.000 0.000 0.242 179 A C 0.516 178.072 177.584 -0.046 0.000 1.077 179 A CA 0.697 52.708 52.037 -0.043 0.000 0.781 179 A CB 0.812 19.792 19.000 -0.033 0.000 1.020 179 A HN 1.313 nan 8.150 nan 0.000 0.494 180 V N 2.497 122.391 119.914 -0.032 0.000 2.266 180 V HA 0.290 4.410 4.120 -0.000 0.000 0.271 180 V C -2.653 173.504 176.094 0.104 0.000 1.032 180 V CA -1.670 60.614 62.300 -0.027 0.000 0.806 180 V CB 0.758 32.497 31.823 -0.140 0.000 1.052 180 V HN 0.699 nan 8.190 nan 0.000 0.449 181 P HA 0.200 nan 4.420 nan 0.000 0.271 181 P C 0.019 177.304 177.300 -0.025 0.000 1.226 181 P CA 0.116 63.239 63.100 0.038 0.000 0.765 181 P CB 0.307 32.053 31.700 0.076 0.000 0.835 182 F N 2.983 122.808 119.950 -0.209 0.000 2.819 182 F HA 0.340 4.867 4.527 -0.000 0.000 0.325 182 F C -0.315 175.343 175.800 -0.237 0.000 1.041 182 F CA -0.307 57.591 58.000 -0.170 0.000 1.184 182 F CB 0.112 39.186 39.000 0.124 0.000 1.019 182 F HN 0.059 nan 8.300 nan 0.000 0.590 183 V N -0.971 118.479 119.914 -0.773 0.000 2.925 183 V HA 0.530 4.650 4.120 -0.000 0.000 0.311 183 V C -1.134 174.700 176.094 -0.434 0.000 1.104 183 V CA -0.931 61.020 62.300 -0.582 0.000 0.954 183 V CB 1.270 32.723 31.823 -0.616 0.000 1.022 183 V HN 0.293 nan 8.190 nan 0.000 0.427 184 H N 1.608 120.455 119.070 -0.372 0.000 2.502 184 H HA 0.698 5.254 4.556 -0.000 0.000 0.327 184 H C 0.052 175.232 175.328 -0.246 0.000 1.099 184 H CA -0.045 55.841 56.048 -0.269 0.000 1.323 184 H CB 1.799 31.433 29.762 -0.212 0.000 1.450 184 H HN 0.997 nan 8.280 nan 0.000 0.502 185 T N 0.675 115.185 114.554 -0.072 0.000 2.912 185 T HA 0.157 4.507 4.350 -0.000 0.000 0.288 185 T C 0.164 174.810 174.700 -0.090 0.000 1.030 185 T CA -1.226 60.810 62.100 -0.107 0.000 1.020 185 T CB 1.667 70.478 68.868 -0.095 0.000 1.056 185 T HN 0.408 nan 8.240 nan 0.000 0.480 186 N N 0.835 119.488 118.700 -0.078 0.000 2.518 186 N HA 0.355 5.095 4.740 -0.000 0.000 0.266 186 N C -0.288 175.233 175.510 0.018 0.000 1.196 186 N CA -0.379 52.651 53.050 -0.033 0.000 0.947 186 N CB 0.730 39.210 38.487 -0.011 0.000 1.098 186 N HN 0.763 nan 8.380 nan 0.000 0.450 187 V N 0.868 120.815 119.914 0.054 0.000 2.960 187 V HA 0.777 4.897 4.120 -0.000 0.000 0.315 187 V C -2.468 173.679 176.094 0.088 0.000 1.087 187 V CA -2.108 60.231 62.300 0.065 0.000 0.982 187 V CB 1.849 33.704 31.823 0.053 0.000 1.039 187 V HN 0.583 nan 8.190 nan 0.000 0.437 188 P HA 0.133 nan 4.420 nan 0.000 0.274 188 P C 0.536 177.903 177.300 0.111 0.000 1.246 188 P CA 0.019 63.175 63.100 0.094 0.000 0.795 188 P CB 1.062 32.815 31.700 0.088 0.000 1.006 189 Q N 1.473 121.350 119.800 0.129 0.000 2.082 189 Q HA -0.228 4.112 4.340 -0.000 0.000 0.211 189 Q C 1.325 177.376 176.000 0.084 0.000 1.002 189 Q CA 2.703 58.581 55.803 0.125 0.000 0.868 189 Q CB -0.571 28.286 28.738 0.198 0.000 0.931 189 Q HN 0.386 nan 8.270 nan 0.000 0.414 190 S N -1.798 114.017 115.700 0.192 0.000 2.741 190 S HA 0.324 4.794 4.470 -0.000 0.000 0.247 190 S C -0.111 174.615 174.600 0.210 0.000 1.050 190 S CA 0.112 58.406 58.200 0.156 0.000 1.025 190 S CB -0.001 63.331 63.200 0.221 0.000 0.897 190 S HN 0.519 nan 8.310 nan 0.000 0.508 191 M N -0.256 119.436 119.600 0.153 0.000 2.811 191 M HA -0.213 4.266 4.480 -0.000 0.000 0.183 191 M C -0.483 175.901 176.300 0.140 0.000 0.618 191 M CA 0.533 55.905 55.300 0.120 0.000 0.633 191 M CB -1.372 31.265 32.600 0.062 0.000 2.305 191 M HN 0.274 nan 8.290 nan 0.000 0.472 192 L N 0.425 121.775 121.223 0.211 0.000 2.843 192 L HA 0.566 4.906 4.340 -0.000 0.000 0.234 192 L C -0.006 176.960 176.870 0.160 0.000 1.264 192 L CA 0.403 55.336 54.840 0.155 0.000 1.052 192 L CB 1.101 43.221 42.059 0.102 0.000 1.372 192 L HN 0.210 nan 8.230 nan 0.000 0.466 193 S N 0.045 115.829 115.700 0.139 0.000 2.547 193 S HA 0.440 4.910 4.470 -0.000 0.000 0.270 193 S C -0.166 174.521 174.600 0.145 0.000 1.150 193 S CA -0.601 57.664 58.200 0.109 0.000 0.850 193 S CB 0.809 64.044 63.200 0.059 0.000 1.118 193 S HN 0.288 nan 8.310 nan 0.000 0.461 194 F N 1.009 120.872 119.950 -0.146 0.000 2.730 194 F HA 0.586 5.113 4.527 -0.000 0.000 0.295 194 F C 0.239 175.967 175.800 -0.120 0.000 1.143 194 F CA -0.625 57.227 58.000 -0.247 0.000 1.367 194 F CB 0.057 38.566 39.000 -0.818 0.000 0.970 194 F HN 0.342 nan 8.300 nan 0.000 0.514 195 D N 0.164 120.453 120.400 -0.185 0.000 2.588 195 D HA 0.411 5.051 4.640 -0.000 0.000 0.268 195 D C -1.023 175.277 176.300 -0.001 0.000 1.176 195 D CA -0.795 53.136 54.000 -0.115 0.000 1.080 195 D CB 2.181 42.892 40.800 -0.148 0.000 1.186 195 D HN 0.203 nan 8.370 nan 0.000 0.619 196 C N 1.084 120.394 119.300 0.015 0.000 2.919 196 C HA 0.679 5.139 4.460 -0.000 0.000 0.337 196 C C -1.163 173.851 174.990 0.041 0.000 1.039 196 C CA -0.199 58.845 59.018 0.043 0.000 1.373 196 C CB -1.069 26.706 27.740 0.057 0.000 1.843 196 C HN 0.401 nan 8.230 nan 0.000 0.493 197 S N 4.152 119.882 115.700 0.050 0.000 2.578 197 S HA 0.684 5.154 4.470 -0.000 0.000 0.285 197 S C -1.909 172.730 174.600 0.065 0.000 1.126 197 S CA -0.493 57.736 58.200 0.048 0.000 0.878 197 S CB 1.264 64.478 63.200 0.023 0.000 1.091 197 S HN 1.003 nan 8.310 nan 0.000 0.450 198 N N 3.456 122.195 118.700 0.065 0.000 2.555 198 N HA 0.324 5.064 4.740 -0.000 0.000 0.265 198 N C -2.840 172.682 175.510 0.019 0.000 1.135 198 N CA -1.283 51.806 53.050 0.065 0.000 0.925 198 N CB 1.843 40.391 38.487 0.102 0.000 1.662 198 N HN 0.275 nan 8.380 nan 0.000 0.489 199 P HA -0.012 nan 4.420 nan 0.000 0.218 199 P C 1.473 178.701 177.300 -0.120 0.000 1.148 199 P CA 0.730 63.802 63.100 -0.045 0.000 0.822 199 P CB 0.404 32.128 31.700 0.041 0.000 0.784 200 L N -3.126 117.972 121.223 -0.209 0.000 2.209 200 L HA 0.071 4.411 4.340 -0.000 0.000 0.207 200 L C 1.585 178.038 176.870 -0.696 0.000 1.094 200 L CA 1.707 56.237 54.840 -0.517 0.000 0.790 200 L CB -0.438 41.182 42.059 -0.731 0.000 0.932 200 L HN -0.088 nan 8.230 nan 0.000 0.447 201 F N -1.880 118.075 119.950 0.007 0.000 2.856 201 F HA 0.476 5.003 4.527 -0.000 0.000 0.338 201 F C 1.283 177.078 175.800 -0.008 0.000 1.100 201 F CA 0.041 58.042 58.000 0.003 0.000 1.150 201 F CB 0.277 39.282 39.000 0.008 0.000 1.101 201 F HN 0.016 nan 8.300 nan 0.000 0.548 202 G N 1.479 110.349 108.800 0.117 0.000 2.741 202 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.222 202 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.222 202 G C -0.701 174.238 174.900 0.065 0.000 1.364 202 G CA -0.717 44.420 45.100 0.063 0.000 0.866 202 G HN 0.298 nan 8.290 nan 0.000 0.555 203 Q N -0.170 119.651 119.800 0.034 0.000 2.279 203 Q HA 0.571 4.911 4.340 -0.000 0.000 0.256 203 Q C 0.167 176.180 176.000 0.023 0.000 0.937 203 Q CA -0.008 55.809 55.803 0.024 0.000 0.933 203 Q CB 0.578 29.319 28.738 0.006 0.000 1.189 203 Q HN 0.632 nan 8.270 nan 0.000 0.417 204 T N 4.627 119.198 114.554 0.028 0.000 2.856 204 T HA 0.394 4.744 4.350 -0.000 0.000 0.292 204 T C -0.361 174.354 174.700 0.026 0.000 0.980 204 T CA -0.296 61.819 62.100 0.024 0.000 1.091 204 T CB 0.598 69.486 68.868 0.032 0.000 0.936 204 T HN 0.563 nan 8.240 nan 0.000 0.503 205 M N 3.091 122.704 119.600 0.022 0.000 2.537 205 M HA 0.330 4.810 4.480 -0.000 0.000 0.324 205 M C 0.465 176.798 176.300 0.054 0.000 1.187 205 M CA -0.673 54.643 55.300 0.027 0.000 0.993 205 M CB 1.297 33.903 32.600 0.010 0.000 1.666 205 M HN 0.402 nan 8.290 nan 0.000 0.461 206 N N 3.010 121.754 118.700 0.073 0.000 2.475 206 N HA 0.137 4.877 4.740 -0.000 0.000 0.267 206 N C -1.919 173.666 175.510 0.126 0.000 1.169 206 N CA -1.145 51.982 53.050 0.129 0.000 0.947 206 N CB 1.182 39.751 38.487 0.138 0.000 1.061 206 N HN 0.360 nan 8.380 nan 0.000 0.466 207 P HA -0.135 nan 4.420 nan 0.000 0.216 207 P C 0.845 178.142 177.300 -0.005 0.000 1.150 207 P CA 1.478 64.597 63.100 0.032 0.000 0.843 207 P CB 0.013 31.707 31.700 -0.010 0.000 0.787 208 W N 0.683 121.991 121.300 0.012 0.000 2.453 208 W HA 0.117 4.777 4.660 -0.000 0.000 0.289 208 W C 1.146 177.661 176.519 -0.006 0.000 1.215 208 W CA 0.656 58.004 57.345 0.006 0.000 1.297 208 W CB -0.143 29.322 29.460 0.009 0.000 1.113 208 W HN -0.086 nan 8.180 nan 0.000 0.551 209 K N -0.980 119.540 120.400 0.200 0.000 2.589 209 K HA 0.205 4.525 4.320 -0.000 0.000 0.253 209 K C 0.460 177.094 176.600 0.057 0.000 0.974 209 K CA -0.189 56.159 56.287 0.101 0.000 0.835 209 K CB 1.537 34.088 32.500 0.084 0.000 1.272 209 K HN -0.344 nan 8.250 nan 0.000 0.444 210 S N 0.658 116.376 115.700 0.030 0.000 2.399 210 S HA -0.115 4.355 4.470 -0.000 0.000 0.231 210 S C 1.237 175.839 174.600 0.003 0.000 1.022 210 S CA 1.794 60.001 58.200 0.013 0.000 0.983 210 S CB -0.095 63.106 63.200 0.002 0.000 0.803 210 S HN 0.719 nan 8.310 nan 0.000 0.480 211 S N 0.102 115.801 115.700 -0.003 0.000 2.671 211 S HA 0.255 4.725 4.470 -0.000 0.000 0.220 211 S C 0.236 174.818 174.600 -0.031 0.000 0.951 211 S CA -0.270 57.920 58.200 -0.017 0.000 0.932 211 S CB 0.088 63.276 63.200 -0.020 0.000 0.777 211 S HN 0.071 nan 8.310 nan 0.000 0.508 212 K N 1.398 121.785 120.400 -0.023 0.000 2.267 212 K HA 0.451 4.771 4.320 -0.000 0.000 0.246 212 K C -0.491 176.094 176.600 -0.026 0.000 0.954 212 K CA -0.467 55.790 56.287 -0.050 0.000 0.824 212 K CB 1.861 34.325 32.500 -0.059 0.000 1.167 212 K HN 0.168 nan 8.250 nan 0.000 0.431 213 S N 2.133 117.802 115.700 -0.052 0.000 2.548 213 S HA 0.178 4.648 4.470 -0.000 0.000 0.277 213 S C -1.432 173.248 174.600 0.134 0.000 1.315 213 S CA -1.356 56.857 58.200 0.022 0.000 1.050 213 S CB 0.510 63.711 63.200 0.002 0.000 0.918 213 S HN 0.296 nan 8.310 nan 0.000 0.497 214 P HA 0.149 nan 4.420 nan 0.000 0.223 214 P C 0.941 178.459 177.300 0.364 0.000 1.151 214 P CA 1.257 64.500 63.100 0.240 0.000 0.787 214 P CB -0.543 31.248 31.700 0.151 0.000 0.788 215 G N -1.104 107.928 108.800 0.387 0.000 2.548 215 G HA2 0.322 4.282 3.960 -0.000 0.000 0.208 215 G HA3 0.322 4.282 3.960 -0.000 0.000 0.208 215 G C -0.295 174.691 174.900 0.145 0.000 1.308 215 G CA -0.353 44.913 45.100 0.277 0.000 0.924 215 G HN 0.624 nan 8.290 nan 0.000 0.540 216 G N -2.767 106.110 108.800 0.130 0.000 2.336 216 G HA2 0.625 4.585 3.960 -0.000 0.000 0.300 216 G HA3 0.625 4.585 3.960 -0.000 0.000 0.300 216 G C 0.714 175.727 174.900 0.188 0.000 1.375 216 G CA 0.926 46.106 45.100 0.133 0.000 0.885 216 G HN 2.258 nan 8.290 nan 0.000 0.599 217 S N -1.330 114.461 115.700 0.151 0.000 2.528 217 S HA 0.120 4.590 4.470 -0.000 0.000 0.219 217 S C 1.405 176.057 174.600 0.087 0.000 0.985 217 S CA 1.230 59.495 58.200 0.108 0.000 0.914 217 S CB 0.112 63.370 63.200 0.096 0.000 0.776 217 S HN 1.036 nan 8.310 nan 0.000 0.526 218 S N 1.888 117.642 115.700 0.090 0.000 3.033 218 S HA 0.328 4.798 4.470 -0.000 0.000 0.258 218 S C 1.503 176.146 174.600 0.071 0.000 1.207 218 S CA 0.017 58.264 58.200 0.078 0.000 1.248 218 S CB -0.281 62.969 63.200 0.084 0.000 0.932 218 S HN 0.680 nan 8.310 nan 0.000 0.472 219 G N 2.060 110.905 108.800 0.075 0.000 2.408 219 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.217 219 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.217 219 G C 1.346 176.282 174.900 0.061 0.000 1.150 219 G CA 0.490 45.639 45.100 0.081 0.000 0.776 219 G HN 0.600 nan 8.290 nan 0.000 0.542 220 G N 0.694 109.515 108.800 0.036 0.000 2.418 220 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.217 220 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.217 220 G C 1.626 176.522 174.900 -0.007 0.000 1.158 220 G CA 1.032 46.135 45.100 0.004 0.000 0.771 220 G HN 0.341 nan 8.290 nan 0.000 0.545 221 E N 0.770 120.969 120.200 -0.001 0.000 2.058 221 E HA -0.114 4.236 4.350 -0.000 0.000 0.194 221 E C 2.764 179.376 176.600 0.020 0.000 0.997 221 E CA 1.232 57.627 56.400 -0.008 0.000 0.801 221 E CB -0.944 28.758 29.700 0.003 0.000 0.746 221 E HN 0.362 nan 8.360 nan 0.000 0.450 222 G N 1.044 109.874 108.800 0.050 0.000 2.418 222 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.217 222 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.217 222 G C 1.740 176.701 174.900 0.101 0.000 1.158 222 G CA 1.320 46.470 45.100 0.083 0.000 0.771 222 G HN 0.401 nan 8.290 nan 0.000 0.545 223 A N -0.055 122.817 122.820 0.086 0.000 1.969 223 A HA 0.175 4.495 4.320 -0.000 0.000 0.218 223 A C 2.297 179.912 177.584 0.051 0.000 1.169 223 A CA 1.484 53.570 52.037 0.082 0.000 0.635 223 A CB -0.256 18.780 19.000 0.059 0.000 0.810 223 A HN 0.397 nan 8.150 nan 0.000 0.445 224 L N -0.657 120.584 121.223 0.029 0.000 2.162 224 L HA 0.160 4.500 4.340 -0.000 0.000 0.205 224 L C 2.089 178.983 176.870 0.039 0.000 1.086 224 L CA 1.243 56.095 54.840 0.019 0.000 0.778 224 L CB -0.217 41.831 42.059 -0.018 0.000 0.928 224 L HN 0.387 nan 8.230 nan 0.000 0.446 225 I N -0.500 120.094 120.570 0.040 0.000 2.277 225 I HA -0.016 4.154 4.170 -0.000 0.000 0.243 225 I C 1.510 177.675 176.117 0.080 0.000 1.094 225 I CA 0.570 61.899 61.300 0.049 0.000 1.393 225 I CB -0.910 37.109 38.000 0.032 0.000 1.078 225 I HN 0.311 nan 8.210 nan 0.000 0.417 226 G N -0.023 108.843 108.800 0.110 0.000 2.664 226 G HA2 0.180 4.140 3.960 -0.000 0.000 0.242 226 G HA3 0.180 4.140 3.960 -0.000 0.000 0.242 226 G C 0.945 175.870 174.900 0.043 0.000 1.225 226 G CA 0.534 45.715 45.100 0.135 0.000 0.849 226 G HN 0.542 nan 8.290 nan 0.000 0.581 227 S N -1.378 114.285 115.700 -0.062 0.000 2.580 227 S HA -0.176 4.294 4.470 -0.000 0.000 0.251 227 S C 2.033 176.616 174.600 -0.028 0.000 1.281 227 S CA 1.901 60.040 58.200 -0.101 0.000 1.558 227 S CB -1.572 61.577 63.200 -0.086 0.000 1.996 227 S HN 3.023 nan 8.310 nan 0.000 0.656 228 G N 0.199 109.019 108.800 0.033 0.000 2.141 228 G HA2 0.194 4.154 3.960 -0.000 0.000 0.195 228 G HA3 0.194 4.154 3.960 -0.000 0.000 0.195 228 G C 0.941 175.946 174.900 0.175 0.000 1.012 228 G CA 0.626 45.781 45.100 0.092 0.000 0.696 228 G HN 1.868 nan 8.290 nan 0.000 0.508 229 G N -0.697 108.193 108.800 0.150 0.000 3.141 229 G HA2 0.520 4.480 3.960 -0.000 0.000 0.218 229 G HA3 0.520 4.480 3.960 -0.000 0.000 0.218 229 G C 0.395 175.432 174.900 0.228 0.000 1.170 229 G CA 1.272 46.495 45.100 0.205 0.000 0.769 229 G HN 1.663 nan 8.290 nan 0.000 0.546 230 S N -0.536 115.214 115.700 0.084 0.000 2.548 230 S HA 0.497 4.967 4.470 -0.000 0.000 0.278 230 S C -2.386 172.056 174.600 -0.263 0.000 1.150 230 S CA -0.759 57.348 58.200 -0.155 0.000 0.907 230 S CB 2.271 65.500 63.200 0.048 0.000 1.108 230 S HN -0.116 nan 8.310 nan 0.000 0.459 231 P HA 0.221 nan 4.420 nan 0.000 0.220 231 P C -0.050 177.185 177.300 -0.109 0.000 1.152 231 P CA 0.408 63.368 63.100 -0.233 0.000 0.812 231 P CB 0.082 31.619 31.700 -0.272 0.000 0.792 232 L N -1.531 119.624 121.223 -0.114 0.000 2.506 232 L HA 0.788 5.128 4.340 -0.000 0.000 0.257 232 L C -1.030 175.790 176.870 -0.083 0.000 0.964 232 L CA -0.599 54.194 54.840 -0.078 0.000 0.836 232 L CB 1.958 43.971 42.059 -0.076 0.000 1.384 232 L HN 0.053 nan 8.230 nan 0.000 0.410 233 G N 2.649 111.395 108.800 -0.091 0.000 2.704 233 G HA2 0.625 4.585 3.960 -0.000 0.000 0.293 233 G HA3 0.625 4.585 3.960 -0.000 0.000 0.293 233 G C -2.479 172.332 174.900 -0.148 0.000 1.421 233 G CA -0.605 44.419 45.100 -0.126 0.000 0.870 233 G HN 0.506 nan 8.290 nan 0.000 0.492 234 L N 0.529 121.605 121.223 -0.246 0.000 2.329 234 L HA 0.862 5.202 4.340 -0.000 0.000 0.279 234 L C 0.813 177.629 176.870 -0.089 0.000 1.014 234 L CA 0.006 54.667 54.840 -0.298 0.000 0.814 234 L CB 1.876 43.478 42.059 -0.761 0.000 1.257 234 L HN 0.881 nan 8.230 nan 0.000 0.424 235 G N 0.083 108.964 108.800 0.135 0.000 3.015 235 G HA2 0.748 4.708 3.960 -0.000 0.000 0.281 235 G HA3 0.748 4.708 3.960 -0.000 0.000 0.281 235 G C -1.249 173.850 174.900 0.332 0.000 1.386 235 G CA -0.268 45.007 45.100 0.292 0.000 0.959 235 G HN 0.556 nan 8.290 nan 0.000 0.522 236 T N -1.783 112.880 114.554 0.181 0.000 2.893 236 T HA 0.641 4.991 4.350 -0.000 0.000 0.293 236 T C -1.765 172.964 174.700 0.048 0.000 1.027 236 T CA -0.756 61.393 62.100 0.081 0.000 0.988 236 T CB 2.568 71.414 68.868 -0.037 0.000 1.043 236 T HN 0.420 nan 8.240 nan 0.000 0.461 237 D N 1.441 121.860 120.400 0.031 0.000 2.646 237 D HA 0.503 5.143 4.640 -0.000 0.000 0.245 237 D C -0.279 176.018 176.300 -0.006 0.000 1.099 237 D CA -0.743 53.265 54.000 0.013 0.000 0.849 237 D CB 2.207 43.008 40.800 0.001 0.000 1.448 237 D HN 0.666 nan 8.370 nan 0.000 0.489 238 I N 1.404 121.964 120.570 -0.017 0.000 4.765 238 I HA 0.251 4.421 4.170 -0.000 0.000 0.349 238 I C 0.840 176.922 176.117 -0.058 0.000 1.278 238 I CA 0.085 61.361 61.300 -0.040 0.000 1.331 238 I CB 0.925 38.893 38.000 -0.052 0.000 1.570 238 I HN 0.527 nan 8.210 nan 0.000 0.538 239 G N -0.510 108.267 108.800 -0.038 0.000 3.934 239 G HA2 0.363 4.323 3.960 -0.000 0.000 0.212 239 G HA3 0.363 4.323 3.960 -0.000 0.000 0.212 239 G C 0.784 175.662 174.900 -0.037 0.000 1.126 239 G CA 0.582 45.656 45.100 -0.043 0.000 0.877 239 G HN 0.374 nan 8.290 nan 0.000 0.556 240 G N -0.020 108.736 108.800 -0.073 0.000 2.870 240 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.216 240 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.216 240 G C 1.083 175.908 174.900 -0.125 0.000 0.973 240 G CA 0.790 45.689 45.100 -0.335 0.000 0.807 240 G HN 0.311 nan 8.290 nan 0.000 0.573 241 S N -0.033 115.707 115.700 0.065 0.000 2.474 241 S HA 0.139 4.609 4.470 -0.000 0.000 0.235 241 S C 2.141 176.783 174.600 0.069 0.000 0.997 241 S CA 1.087 59.366 58.200 0.131 0.000 0.949 241 S CB -0.051 63.212 63.200 0.105 0.000 0.766 241 S HN 0.465 nan 8.310 nan 0.000 0.517 242 I N 0.523 121.099 120.570 0.011 0.000 2.480 242 I HA -0.015 4.155 4.170 -0.000 0.000 0.251 242 I C 2.409 178.499 176.117 -0.046 0.000 1.124 242 I CA 0.844 62.146 61.300 0.002 0.000 1.444 242 I CB 0.064 38.069 38.000 0.008 0.000 1.098 242 I HN 0.094 nan 8.210 nan 0.000 0.428 243 R N -0.614 119.804 120.500 -0.138 0.000 2.100 243 R HA -0.004 4.336 4.340 -0.000 0.000 0.220 243 R C 2.175 178.310 176.300 -0.276 0.000 1.091 243 R CA 0.992 56.961 56.100 -0.218 0.000 0.986 243 R CB -0.297 29.818 30.300 -0.308 0.000 0.888 243 R HN 0.112 nan 8.270 nan 0.000 0.444 244 F N 1.552 121.343 119.950 -0.265 0.000 2.043 244 F HA -0.148 4.379 4.527 -0.000 0.000 0.297 244 F C -0.587 174.857 175.800 -0.593 0.000 1.121 244 F CA 1.238 58.907 58.000 -0.553 0.000 1.199 244 F CB -1.557 37.166 39.000 -0.461 0.000 0.968 244 F HN 0.037 nan 8.300 nan 0.000 0.478 245 P HA -0.076 nan 4.420 nan 0.000 0.221 245 P C 1.706 179.035 177.300 0.048 0.000 1.150 245 P CA 1.506 64.621 63.100 0.024 0.000 0.800 245 P CB -0.044 31.698 31.700 0.070 0.000 0.787 246 S N 0.564 116.265 115.700 0.002 0.000 2.354 246 S HA -0.146 4.324 4.470 -0.000 0.000 0.219 246 S C 2.225 176.844 174.600 0.030 0.000 1.035 246 S CA 1.715 59.924 58.200 0.015 0.000 1.037 246 S CB -1.169 62.019 63.200 -0.020 0.000 0.956 246 S HN 0.187 nan 8.310 nan 0.000 0.428 247 A N 0.835 123.650 122.820 -0.009 0.000 1.978 247 A HA -0.078 4.242 4.320 -0.000 0.000 0.220 247 A C 1.860 179.582 177.584 0.230 0.000 1.170 247 A CA 1.473 53.545 52.037 0.059 0.000 0.636 247 A CB -0.682 18.340 19.000 0.038 0.000 0.810 247 A HN 0.472 nan 8.150 nan 0.000 0.448 248 F N -0.609 119.367 119.950 0.044 0.000 2.179 248 F HA -0.048 4.479 4.527 -0.000 0.000 0.292 248 F C 2.540 178.316 175.800 -0.040 0.000 1.089 248 F CA 0.062 58.071 58.000 0.015 0.000 1.295 248 F CB -1.339 37.714 39.000 0.088 0.000 1.041 248 F HN 0.234 nan 8.300 nan 0.000 0.487 249 C N -0.363 119.091 119.300 0.258 0.000 2.562 249 C HA 0.421 4.881 4.460 -0.000 0.000 0.266 249 C C 1.774 176.922 174.990 0.263 0.000 1.382 249 C CA 0.447 59.637 59.018 0.288 0.000 1.742 249 C CB -1.119 26.804 27.740 0.306 0.000 1.812 249 C HN 0.729 nan 8.230 nan 0.000 0.559 250 G N 1.756 110.602 108.800 0.076 0.000 2.212 250 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.255 250 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.255 250 G C -0.152 174.823 174.900 0.126 0.000 1.062 250 G CA 0.461 45.573 45.100 0.019 0.000 0.815 250 G HN 0.757 nan 8.290 nan 0.000 0.497 251 I N -3.497 117.140 120.570 0.111 0.000 3.237 251 I HA 0.836 5.006 4.170 -0.000 0.000 0.308 251 I C 0.633 176.779 176.117 0.047 0.000 1.093 251 I CA -1.594 59.762 61.300 0.094 0.000 1.001 251 I CB 1.599 39.661 38.000 0.104 0.000 1.245 251 I HN 0.059 nan 8.210 nan 0.000 0.485 252 C N 1.174 120.496 119.300 0.036 0.000 2.382 252 C HA 0.919 5.379 4.460 -0.000 0.000 0.363 252 C C 0.543 175.538 174.990 0.009 0.000 1.213 252 C CA -0.006 59.020 59.018 0.014 0.000 2.363 252 C CB 0.396 28.144 27.740 0.014 0.000 2.397 252 C HN 1.028 nan 8.230 nan 0.000 0.573 253 G N 0.776 109.574 108.800 -0.003 0.000 2.702 253 G HA2 0.553 4.513 3.960 -0.000 0.000 0.296 253 G HA3 0.553 4.513 3.960 -0.000 0.000 0.296 253 G C -2.051 172.845 174.900 -0.007 0.000 1.463 253 G CA -0.388 44.710 45.100 -0.004 0.000 0.890 253 G HN 0.772 nan 8.290 nan 0.000 0.534 254 L N 0.784 122.010 121.223 0.005 0.000 2.356 254 L HA 0.769 5.109 4.340 -0.000 0.000 0.277 254 L C -0.157 176.724 176.870 0.018 0.000 0.996 254 L CA -0.857 53.991 54.840 0.013 0.000 0.822 254 L CB 1.826 43.904 42.059 0.031 0.000 1.256 254 L HN 0.445 nan 8.230 nan 0.000 0.413 255 K N 6.804 127.211 120.400 0.011 0.000 2.268 255 K HA 0.488 4.808 4.320 -0.000 0.000 0.276 255 K C -2.492 174.124 176.600 0.027 0.000 1.080 255 K CA -1.753 54.545 56.287 0.019 0.000 0.910 255 K CB 0.980 33.483 32.500 0.005 0.000 1.163 255 K HN 0.415 nan 8.250 nan 0.000 0.465 256 P HA 0.028 nan 4.420 nan 0.000 0.275 256 P C -0.661 176.633 177.300 -0.009 0.000 1.270 256 P CA -0.323 62.798 63.100 0.036 0.000 0.791 256 P CB 0.323 32.069 31.700 0.078 0.000 1.089 257 T N -0.185 114.323 114.554 -0.076 0.000 2.908 257 T HA 0.074 4.424 4.350 -0.000 0.000 0.325 257 T C 1.883 176.506 174.700 -0.128 0.000 1.092 257 T CA 0.565 62.527 62.100 -0.230 0.000 1.125 257 T CB -0.060 68.438 68.868 -0.616 0.000 1.016 257 T HN 0.573 nan 8.240 nan 0.000 0.550 258 G N 1.126 109.836 108.800 -0.149 0.000 2.491 258 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.218 258 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.218 258 G C 1.053 175.992 174.900 0.064 0.000 1.180 258 G CA 0.492 45.575 45.100 -0.028 0.000 0.774 258 G HN 0.796 nan 8.290 nan 0.000 0.562 259 N N -0.481 118.298 118.700 0.131 0.000 2.321 259 N HA 0.111 4.851 4.740 -0.000 0.000 0.242 259 N C 1.782 177.574 175.510 0.469 0.000 1.141 259 N CA -0.368 52.857 53.050 0.291 0.000 0.864 259 N CB 0.199 38.886 38.487 0.334 0.000 1.100 259 N HN 0.025 nan 8.380 nan 0.000 0.510 260 R N 0.050 120.810 120.500 0.433 0.000 2.092 260 R HA 0.163 4.503 4.340 -0.000 0.000 0.231 260 R C 0.210 176.698 176.300 0.313 0.000 1.119 260 R CA 1.271 57.634 56.100 0.440 0.000 0.970 260 R CB 0.108 30.615 30.300 0.344 0.000 0.864 260 R HN 0.205 nan 8.270 nan 0.000 0.440 261 L N -1.106 120.256 121.223 0.232 0.000 2.301 261 L HA 0.408 4.748 4.340 -0.000 0.000 0.264 261 L C -0.233 176.733 176.870 0.161 0.000 1.016 261 L CA -1.134 53.814 54.840 0.180 0.000 0.821 261 L CB 1.862 44.008 42.059 0.145 0.000 1.346 261 L HN -0.132 nan 8.230 nan 0.000 0.429 262 S N -0.010 115.771 115.700 0.135 0.000 2.499 262 S HA 0.185 4.655 4.470 -0.000 0.000 0.275 262 S C 0.578 175.245 174.600 0.111 0.000 1.257 262 S CA -0.334 57.938 58.200 0.120 0.000 1.050 262 S CB 0.684 63.943 63.200 0.097 0.000 0.937 262 S HN 0.639 nan 8.310 nan 0.000 0.490 263 K N 2.979 123.435 120.400 0.094 0.000 2.426 263 K HA 0.111 4.431 4.320 -0.000 0.000 0.193 263 K C 2.044 178.679 176.600 0.058 0.000 1.028 263 K CA 0.156 56.485 56.287 0.070 0.000 1.047 263 K CB -0.018 32.523 32.500 0.068 0.000 0.821 263 K HN 0.557 nan 8.250 nan 0.000 0.513 264 S N 0.396 116.134 115.700 0.063 0.000 2.400 264 S HA -0.179 4.291 4.470 -0.000 0.000 0.234 264 S C 1.559 176.181 174.600 0.036 0.000 1.049 264 S CA 1.714 59.942 58.200 0.047 0.000 1.039 264 S CB -0.140 63.087 63.200 0.046 0.000 0.856 264 S HN 0.594 nan 8.310 nan 0.000 0.465 265 G N -0.198 108.630 108.800 0.046 0.000 3.805 265 G HA2 0.441 4.401 3.960 -0.000 0.000 0.290 265 G HA3 0.441 4.401 3.960 -0.000 0.000 0.290 265 G C -0.378 174.538 174.900 0.027 0.000 1.077 265 G CA -0.333 44.794 45.100 0.044 0.000 0.852 265 G HN 0.192 nan 8.290 nan 0.000 0.531 266 L N 0.829 122.052 121.223 -0.000 0.000 2.290 266 L HA 0.428 4.768 4.340 -0.000 0.000 0.284 266 L C 0.333 177.232 176.870 0.048 0.000 1.078 266 L CA -0.666 54.126 54.840 -0.080 0.000 0.815 266 L CB 1.572 43.539 42.059 -0.153 0.000 1.162 266 L HN -0.072 nan 8.230 nan 0.000 0.435 267 K N 1.731 122.133 120.400 0.002 0.000 2.339 267 K HA 0.587 4.907 4.320 -0.000 0.000 0.286 267 K C 0.064 176.652 176.600 -0.020 0.000 1.050 267 K CA 0.126 56.462 56.287 0.081 0.000 0.956 267 K CB 0.697 33.217 32.500 0.032 0.000 0.990 267 K HN 0.728 nan 8.250 nan 0.000 0.475 268 G N 1.285 110.014 108.800 -0.118 0.000 3.042 268 G HA2 0.339 4.299 3.960 -0.000 0.000 0.278 268 G HA3 0.339 4.299 3.960 -0.000 0.000 0.278 268 G C 0.353 174.965 174.900 -0.480 0.000 1.371 268 G CA -0.370 44.462 45.100 -0.445 0.000 1.009 268 G HN 0.820 nan 8.290 nan 0.000 0.523 269 C N -1.695 117.382 119.300 -0.371 0.000 2.406 269 C HA 0.532 4.992 4.460 -0.000 0.000 0.343 269 C C 1.202 176.073 174.990 -0.199 0.000 1.397 269 C CA 0.465 59.358 59.018 -0.210 0.000 2.069 269 C CB -0.847 26.863 27.740 -0.049 0.000 2.374 269 C HN 0.726 nan 8.230 nan 0.000 0.545 270 V N 0.970 120.798 119.914 -0.143 0.000 2.567 270 V HA 0.660 4.780 4.120 -0.000 0.000 0.289 270 V C -1.346 174.583 176.094 -0.275 0.000 1.049 270 V CA -0.215 62.038 62.300 -0.079 0.000 0.969 270 V CB 0.748 32.626 31.823 0.092 0.000 0.995 270 V HN 0.494 nan 8.190 nan 0.000 0.471 271 Y N 3.426 123.764 120.300 0.062 0.000 2.524 271 Y HA 0.790 5.340 4.550 -0.000 0.000 0.344 271 Y C 1.160 177.088 175.900 0.047 0.000 1.012 271 Y CA 0.051 58.178 58.100 0.044 0.000 1.068 271 Y CB 2.403 40.884 38.460 0.035 0.000 1.249 271 Y HN 1.046 nan 8.280 nan 0.000 0.468 272 G N 0.715 109.645 108.800 0.217 0.000 2.179 272 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.220 272 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.220 272 G C 0.023 174.984 174.900 0.102 0.000 0.990 272 G CA -0.491 44.694 45.100 0.142 0.000 0.646 272 G HN 0.462 nan 8.290 nan 0.000 0.517 273 Q N 1.699 121.548 119.800 0.082 0.000 2.324 273 Q HA 0.383 4.723 4.340 -0.000 0.000 0.257 273 Q C 1.639 177.662 176.000 0.039 0.000 1.080 273 Q CA 1.015 56.847 55.803 0.048 0.000 0.907 273 Q CB 0.655 29.402 28.738 0.014 0.000 1.274 273 Q HN 0.586 nan 8.270 nan 0.000 0.434 274 T N -0.663 113.918 114.554 0.046 0.000 3.014 274 T HA 0.335 4.685 4.350 -0.000 0.000 0.250 274 T C 0.708 175.422 174.700 0.023 0.000 1.060 274 T CA 0.213 62.337 62.100 0.040 0.000 1.040 274 T CB 0.403 69.303 68.868 0.054 0.000 0.971 274 T HN 0.441 nan 8.240 nan 0.000 0.497 275 A N 1.944 124.773 122.820 0.015 0.000 2.366 275 A HA 0.609 4.929 4.320 -0.000 0.000 0.272 275 A C 0.373 177.932 177.584 -0.041 0.000 1.135 275 A CA -0.459 51.573 52.037 -0.009 0.000 0.804 275 A CB -0.259 18.736 19.000 -0.008 0.000 1.064 275 A HN 1.057 nan 8.150 nan 0.000 0.499 276 V N 2.441 122.321 119.914 -0.055 0.000 3.478 276 V HA -0.152 3.968 4.120 -0.000 0.000 0.490 276 V C -0.254 175.805 176.094 -0.057 0.000 0.682 276 V CA 0.493 62.747 62.300 -0.077 0.000 2.029 276 V CB -1.419 30.334 31.823 -0.116 0.000 2.466 276 V HN 1.004 nan 8.190 nan 0.000 0.504 277 Q N 3.056 122.828 119.800 -0.048 0.000 2.257 277 Q HA 0.607 4.947 4.340 -0.000 0.000 0.255 277 Q C -0.187 175.798 176.000 -0.025 0.000 0.920 277 Q CA -0.852 54.934 55.803 -0.028 0.000 0.927 277 Q CB 2.231 30.952 28.738 -0.027 0.000 1.229 277 Q HN 0.759 nan 8.270 nan 0.000 0.433 278 L N 2.171 123.387 121.223 -0.012 0.000 2.278 278 L HA 0.284 4.624 4.340 -0.000 0.000 0.287 278 L C -0.707 176.170 176.870 0.011 0.000 1.072 278 L CA 0.437 55.273 54.840 -0.007 0.000 0.819 278 L CB 0.780 42.834 42.059 -0.009 0.000 1.176 278 L HN 0.389 nan 8.230 nan 0.000 0.435 279 S N 5.316 121.025 115.700 0.014 0.000 2.578 279 S HA 0.777 5.247 4.470 -0.000 0.000 0.301 279 S C -0.617 174.016 174.600 0.056 0.000 1.091 279 S CA -0.751 57.471 58.200 0.038 0.000 1.032 279 S CB 1.607 64.826 63.200 0.032 0.000 1.064 279 S HN 0.653 nan 8.310 nan 0.000 0.508 280 L N -0.416 120.863 121.223 0.093 0.000 2.322 280 L HA 1.101 5.441 4.340 -0.000 0.000 0.269 280 L C 0.121 177.072 176.870 0.135 0.000 1.012 280 L CA -0.590 54.342 54.840 0.154 0.000 0.815 280 L CB 1.289 43.496 42.059 0.247 0.000 1.295 280 L HN 0.764 nan 8.230 nan 0.000 0.438 281 G N 0.049 108.930 108.800 0.135 0.000 2.547 281 G HA2 0.603 4.563 3.960 -0.000 0.000 0.291 281 G HA3 0.603 4.563 3.960 -0.000 0.000 0.291 281 G C -3.358 171.567 174.900 0.042 0.000 1.471 281 G CA -0.907 44.239 45.100 0.076 0.000 0.798 281 G HN 0.518 nan 8.290 nan 0.000 0.504 282 P HA 0.590 nan 4.420 nan 0.000 0.281 282 P C -0.760 176.532 177.300 -0.012 0.000 1.249 282 P CA -0.400 62.686 63.100 -0.022 0.000 0.810 282 P CB 1.536 33.214 31.700 -0.036 0.000 1.008 283 M N 1.165 120.751 119.600 -0.023 0.000 2.644 283 M HA 0.793 5.273 4.480 -0.000 0.000 0.304 283 M C -0.388 175.904 176.300 -0.013 0.000 1.215 283 M CA -0.418 54.877 55.300 -0.009 0.000 0.871 283 M CB 2.655 35.255 32.600 0.001 0.000 1.740 283 M HN 0.504 nan 8.290 nan 0.000 0.464 284 A N 0.724 123.547 122.820 0.005 0.000 2.515 284 A HA 0.573 4.893 4.320 -0.000 0.000 0.292 284 A C -0.402 177.203 177.584 0.035 0.000 1.065 284 A CA -0.708 51.336 52.037 0.011 0.000 0.641 284 A CB 1.118 20.120 19.000 0.003 0.000 1.306 284 A HN 0.868 nan 8.150 nan 0.000 0.441 285 R N -0.408 120.119 120.500 0.045 0.000 2.127 285 R HA 0.094 4.434 4.340 -0.000 0.000 0.217 285 R C -0.429 175.905 176.300 0.057 0.000 1.074 285 R CA 1.764 57.902 56.100 0.064 0.000 0.991 285 R CB 0.040 30.385 30.300 0.075 0.000 0.895 285 R HN 0.872 nan 8.270 nan 0.000 0.450 286 D N -2.111 118.318 120.400 0.047 0.000 2.490 286 D HA 0.093 4.733 4.640 -0.000 0.000 0.232 286 D C 0.759 177.085 176.300 0.044 0.000 1.053 286 D CA -0.757 53.271 54.000 0.047 0.000 0.914 286 D CB 1.574 42.406 40.800 0.053 0.000 1.431 286 D HN -0.144 nan 8.370 nan 0.000 0.483 287 V N -1.240 118.706 119.914 0.053 0.000 2.913 287 V HA -0.073 4.047 4.120 -0.000 0.000 0.260 287 V C 1.404 177.550 176.094 0.087 0.000 1.098 287 V CA 1.343 63.683 62.300 0.068 0.000 1.121 287 V CB -0.722 31.152 31.823 0.085 0.000 0.714 287 V HN 0.560 nan 8.190 nan 0.000 0.487 288 E N 1.074 121.332 120.200 0.096 0.000 2.216 288 E HA -0.019 4.331 4.350 -0.000 0.000 0.192 288 E C 2.338 178.954 176.600 0.026 0.000 0.988 288 E CA 1.294 57.761 56.400 0.112 0.000 0.834 288 E CB -0.106 29.666 29.700 0.120 0.000 0.772 288 E HN 0.740 nan 8.360 nan 0.000 0.479 289 S N 0.327 116.035 115.700 0.014 0.000 2.383 289 S HA -0.074 4.396 4.470 -0.000 0.000 0.227 289 S C 1.880 176.447 174.600 -0.054 0.000 1.026 289 S CA 0.643 58.832 58.200 -0.018 0.000 0.981 289 S CB -0.169 63.029 63.200 -0.004 0.000 0.818 289 S HN 0.207 nan 8.310 nan 0.000 0.472 290 L N 1.294 122.493 121.223 -0.041 0.000 2.046 290 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 290 L C 2.817 179.609 176.870 -0.129 0.000 1.077 290 L CA 1.341 56.147 54.840 -0.056 0.000 0.747 290 L CB -0.785 41.266 42.059 -0.014 0.000 0.896 290 L HN 0.334 nan 8.230 nan 0.000 0.432 291 A N -0.305 122.406 122.820 -0.182 0.000 1.929 291 A HA -0.091 4.229 4.320 -0.000 0.000 0.216 291 A C 2.320 179.553 177.584 -0.585 0.000 1.176 291 A CA 0.922 52.716 52.037 -0.405 0.000 0.628 291 A CB -0.485 18.170 19.000 -0.575 0.000 0.816 291 A HN 0.323 nan 8.150 nan 0.000 0.444 292 L N -0.629 120.400 121.223 -0.323 0.000 1.976 292 L HA -0.238 4.102 4.340 -0.000 0.000 0.209 292 L C 2.793 179.496 176.870 -0.278 0.000 1.071 292 L CA 2.096 56.772 54.840 -0.273 0.000 0.746 292 L CB -0.595 41.388 42.059 -0.127 0.000 0.890 292 L HN 0.611 nan 8.230 nan 0.000 0.432 293 C N 0.091 119.272 119.300 -0.197 0.000 2.401 293 C HA -0.237 4.223 4.460 -0.000 0.000 0.276 293 C C 2.825 177.707 174.990 -0.180 0.000 1.233 293 C CA 0.880 59.803 59.018 -0.157 0.000 1.753 293 C CB -1.017 26.655 27.740 -0.113 0.000 2.029 293 C HN 0.498 nan 8.230 nan 0.000 0.478 294 L N 0.767 121.852 121.223 -0.230 0.000 2.012 294 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 294 L C 2.760 179.449 176.870 -0.302 0.000 1.073 294 L CA 2.539 57.259 54.840 -0.201 0.000 0.748 294 L CB -0.848 41.147 42.059 -0.106 0.000 0.891 294 L HN 0.538 nan 8.230 nan 0.000 0.431 295 K N -0.056 119.929 120.400 -0.691 0.000 2.148 295 K HA -0.142 4.178 4.320 -0.000 0.000 0.204 295 K C 1.927 178.393 176.600 -0.222 0.000 1.050 295 K CA 1.288 57.224 56.287 -0.585 0.000 0.942 295 K CB -0.067 31.904 32.500 -0.881 0.000 0.724 295 K HN 0.268 nan 8.250 nan 0.000 0.446 296 A N 0.957 123.656 122.820 -0.203 0.000 1.930 296 A HA -0.055 4.265 4.320 -0.000 0.000 0.217 296 A C 1.972 179.501 177.584 -0.093 0.000 1.175 296 A CA 0.923 52.893 52.037 -0.111 0.000 0.627 296 A CB -0.366 18.577 19.000 -0.095 0.000 0.815 296 A HN 0.287 nan 8.150 nan 0.000 0.443 297 L N -0.863 120.298 121.223 -0.104 0.000 2.109 297 L HA 0.048 4.388 4.340 -0.000 0.000 0.207 297 L C 1.161 177.942 176.870 -0.149 0.000 1.086 297 L CA 1.043 55.826 54.840 -0.095 0.000 0.760 297 L CB -0.781 41.244 42.059 -0.058 0.000 0.910 297 L HN 0.219 nan 8.230 nan 0.000 0.437 298 L N 0.419 121.589 121.223 -0.087 0.000 2.922 298 L HA 0.078 4.418 4.340 -0.000 0.000 0.244 298 L C 0.503 177.314 176.870 -0.098 0.000 1.324 298 L CA -0.174 54.641 54.840 -0.043 0.000 1.172 298 L CB -1.663 40.541 42.059 0.242 0.000 1.545 298 L HN 0.369 nan 8.230 nan 0.000 0.438 299 C N -4.301 114.812 119.300 -0.312 0.000 2.505 299 C HA 0.771 5.231 4.460 -0.000 0.000 0.358 299 C C 1.922 176.696 174.990 -0.359 0.000 1.226 299 C CA -0.167 58.737 59.018 -0.189 0.000 1.900 299 C CB 1.017 28.687 27.740 -0.117 0.000 2.306 299 C HN 0.532 nan 8.230 nan 0.000 0.512 300 E N -0.907 119.225 120.200 -0.112 0.000 2.209 300 E HA -0.211 4.138 4.350 -0.000 0.000 0.196 300 E C 1.668 178.220 176.600 -0.079 0.000 0.993 300 E CA 2.031 58.423 56.400 -0.013 0.000 0.819 300 E CB -1.056 28.635 29.700 -0.015 0.000 0.745 300 E HN 0.880 nan 8.360 nan 0.000 0.477 301 H N -0.722 118.293 119.070 -0.091 0.000 2.387 301 H HA -0.025 4.531 4.556 -0.000 0.000 0.299 301 H C 2.296 177.549 175.328 -0.126 0.000 1.099 301 H CA 1.589 57.585 56.048 -0.086 0.000 1.315 301 H CB -0.321 29.392 29.762 -0.081 0.000 1.380 301 H HN 0.454 nan 8.280 nan 0.000 0.513 302 L N -0.186 120.945 121.223 -0.152 0.000 2.095 302 L HA -0.067 4.273 4.340 -0.000 0.000 0.204 302 L C 1.486 178.258 176.870 -0.164 0.000 1.080 302 L CA 0.857 55.558 54.840 -0.232 0.000 0.759 302 L CB -0.249 41.566 42.059 -0.406 0.000 0.914 302 L HN -0.053 nan 8.230 nan 0.000 0.439 303 F N -0.714 119.265 119.950 0.049 0.000 2.771 303 F HA 0.005 4.532 4.527 -0.000 0.000 0.299 303 F C 2.064 177.881 175.800 0.028 0.000 1.177 303 F CA 0.715 58.733 58.000 0.029 0.000 1.450 303 F CB -1.417 37.590 39.000 0.010 0.000 1.114 303 F HN 0.047 nan 8.300 nan 0.000 0.587 304 T N -0.477 114.162 114.554 0.142 0.000 3.044 304 T HA 0.181 4.531 4.350 -0.000 0.000 0.237 304 T C 1.212 175.959 174.700 0.079 0.000 1.001 304 T CA 0.245 62.409 62.100 0.106 0.000 1.160 304 T CB -0.222 68.707 68.868 0.100 0.000 0.889 304 T HN 0.008 nan 8.240 nan 0.000 0.442 305 L N 2.910 124.169 121.223 0.061 0.000 2.672 305 L HA 0.370 4.710 4.340 -0.000 0.000 0.238 305 L C -0.362 176.536 176.870 0.046 0.000 1.392 305 L CA -0.021 54.843 54.840 0.040 0.000 1.238 305 L CB -0.539 41.530 42.059 0.018 0.000 1.548 305 L HN 0.198 nan 8.230 nan 0.000 0.423 306 D N 0.466 120.904 120.400 0.064 0.000 3.119 306 D HA -0.060 4.580 4.640 -0.000 0.000 0.108 306 D C -2.180 174.187 176.300 0.111 0.000 0.816 306 D CA -0.314 53.733 54.000 0.078 0.000 1.612 306 D CB 0.362 41.210 40.800 0.081 0.000 0.504 306 D HN 0.068 nan 8.370 nan 0.000 0.722 307 P HA -0.037 nan 4.420 nan 0.000 0.247 307 P C 1.349 178.694 177.300 0.074 0.000 1.225 307 P CA 0.654 63.811 63.100 0.095 0.000 0.768 307 P CB -0.157 31.581 31.700 0.064 0.000 1.020 308 T N -3.317 111.284 114.554 0.078 0.000 2.942 308 T HA 0.004 4.354 4.350 -0.000 0.000 0.265 308 T C 0.963 175.716 174.700 0.088 0.000 1.062 308 T CA 0.226 62.367 62.100 0.069 0.000 1.139 308 T CB -0.982 67.927 68.868 0.069 0.000 0.883 308 T HN -0.148 nan 8.240 nan 0.000 0.468 309 V N 5.453 125.449 119.914 0.136 0.000 2.450 309 V HA 0.232 4.351 4.120 -0.000 0.000 0.281 309 V C -1.949 174.219 176.094 0.123 0.000 1.019 309 V CA -1.782 60.629 62.300 0.185 0.000 1.062 309 V CB 0.302 32.289 31.823 0.272 0.000 0.979 309 V HN 0.431 nan 8.190 nan 0.000 0.477 310 P HA 0.191 nan 4.420 nan 0.000 0.271 310 P C -2.562 174.452 177.300 -0.475 0.000 1.220 310 P CA -1.841 61.121 63.100 -0.230 0.000 0.768 310 P CB 0.312 31.806 31.700 -0.344 0.000 0.848 311 P HA 0.185 nan 4.420 nan 0.000 0.256 311 P C -0.572 176.099 177.300 -1.049 0.000 1.688 311 P CA 0.309 62.483 63.100 -1.543 0.000 1.162 311 P CB -0.034 31.161 31.700 -0.842 0.000 1.870 312 L N 5.798 126.514 121.223 -0.844 0.000 2.295 312 L HA 0.403 4.743 4.340 -0.000 0.000 0.281 312 L C -1.968 174.928 176.870 0.045 0.000 1.018 312 L CA -2.330 52.346 54.840 -0.273 0.000 0.841 312 L CB 1.999 43.956 42.059 -0.169 0.000 1.218 312 L HN 0.081 nan 8.230 nan 0.000 0.424 313 P HA 0.018 nan 4.420 nan 0.000 0.275 313 P C -0.582 176.837 177.300 0.199 0.000 1.228 313 P CA -0.343 62.876 63.100 0.199 0.000 0.786 313 P CB 0.668 32.439 31.700 0.118 0.000 0.927 314 F N 3.945 123.957 119.950 0.103 0.000 2.516 314 F HA 0.076 4.603 4.527 -0.000 0.000 0.351 314 F C 1.060 176.897 175.800 0.060 0.000 1.208 314 F CA -0.341 57.700 58.000 0.067 0.000 1.073 314 F CB 0.073 39.094 39.000 0.036 0.000 1.203 314 F HN 0.116 nan 8.300 nan 0.000 0.602 315 R N 4.588 124.971 120.500 -0.196 0.000 2.457 315 R HA -0.054 4.286 4.340 -0.000 0.000 0.335 315 R C 0.941 177.118 176.300 -0.206 0.000 1.003 315 R CA -0.085 55.927 56.100 -0.147 0.000 1.003 315 R CB 0.240 30.463 30.300 -0.128 0.000 0.950 315 R HN 0.644 nan 8.270 nan 0.000 0.428 316 E N 2.928 123.159 120.200 0.052 0.000 2.072 316 E HA -0.217 4.133 4.350 -0.000 0.000 0.191 316 E C 1.829 178.504 176.600 0.125 0.000 0.985 316 E CA 1.584 58.100 56.400 0.194 0.000 0.801 316 E CB 0.173 30.015 29.700 0.238 0.000 0.750 316 E HN 0.655 nan 8.360 nan 0.000 0.452 317 E N 0.327 120.561 120.200 0.057 0.000 2.160 317 E HA -0.163 4.187 4.350 -0.000 0.000 0.195 317 E C 1.990 178.598 176.600 0.013 0.000 0.991 317 E CA 1.355 57.773 56.400 0.031 0.000 0.810 317 E CB -0.445 29.265 29.700 0.017 0.000 0.742 317 E HN 0.244 nan 8.360 nan 0.000 0.466 318 V N 0.463 120.376 119.914 -0.001 0.000 2.407 318 V HA -0.198 3.922 4.120 -0.000 0.000 0.245 318 V C 2.297 178.414 176.094 0.038 0.000 1.041 318 V CA 1.630 63.929 62.300 -0.002 0.000 1.040 318 V CB -0.874 30.927 31.823 -0.037 0.000 0.671 318 V HN 0.267 nan 8.190 nan 0.000 0.455 319 Y N 1.520 121.773 120.300 -0.080 0.000 2.314 319 Y HA -0.063 4.487 4.550 -0.000 0.000 0.293 319 Y C 2.395 178.321 175.900 0.043 0.000 1.129 319 Y CA 1.412 59.500 58.100 -0.020 0.000 1.201 319 Y CB -0.028 38.418 38.460 -0.022 0.000 0.999 319 Y HN 0.069 nan 8.280 nan 0.000 0.541 320 R N -0.027 120.373 120.500 -0.167 0.000 2.334 320 R HA 0.119 4.459 4.340 -0.000 0.000 0.216 320 R C 0.962 177.189 176.300 -0.121 0.000 0.905 320 R CA 0.382 56.347 56.100 -0.225 0.000 1.064 320 R CB -0.022 30.238 30.300 -0.066 0.000 1.046 320 R HN 0.146 nan 8.270 nan 0.000 0.508 321 S N 1.109 116.767 115.700 -0.071 0.000 2.568 321 S HA 0.008 4.478 4.470 -0.000 0.000 0.282 321 S C 1.122 175.707 174.600 -0.025 0.000 1.338 321 S CA 0.044 58.224 58.200 -0.032 0.000 1.045 321 S CB 0.779 63.973 63.200 -0.011 0.000 0.873 321 S HN 0.375 nan 8.310 nan 0.000 0.516 322 S N 1.864 117.558 115.700 -0.010 0.000 2.780 322 S HA 0.294 4.764 4.470 -0.000 0.000 0.248 322 S C 0.591 175.192 174.600 0.002 0.000 1.036 322 S CA 0.043 58.244 58.200 0.002 0.000 1.061 322 S CB -0.112 63.082 63.200 -0.010 0.000 1.037 322 S HN 0.995 nan 8.310 nan 0.000 0.584 323 R N 3.193 123.694 120.500 0.002 0.000 2.421 323 R HA 0.564 4.904 4.340 -0.000 0.000 0.305 323 R C -2.445 173.856 176.300 0.003 0.000 1.039 323 R CA -1.286 54.810 56.100 -0.008 0.000 1.003 323 R CB -1.502 28.795 30.300 -0.006 0.000 0.959 323 R HN 0.566 nan 8.270 nan 0.000 0.427 324 P HA 0.129 nan 4.420 nan 0.000 0.266 324 P C -0.691 176.634 177.300 0.043 0.000 1.195 324 P CA -0.137 62.915 63.100 -0.080 0.000 0.768 324 P CB 0.568 32.153 31.700 -0.192 0.000 0.838 325 L N 2.939 124.311 121.223 0.249 0.000 2.334 325 L HA 0.455 4.795 4.340 -0.000 0.000 0.275 325 L C 1.109 178.006 176.870 0.044 0.000 1.036 325 L CA -0.869 54.047 54.840 0.127 0.000 0.807 325 L CB 1.179 43.277 42.059 0.065 0.000 1.231 325 L HN 0.217 nan 8.230 nan 0.000 0.438 326 R N 1.662 122.122 120.500 -0.065 0.000 2.202 326 R HA 0.449 4.789 4.340 -0.000 0.000 0.334 326 R C -1.202 174.961 176.300 -0.228 0.000 1.036 326 R CA -0.481 55.552 56.100 -0.111 0.000 0.878 326 R CB 1.242 31.471 30.300 -0.119 0.000 1.067 326 R HN 0.284 nan 8.270 nan 0.000 0.457 327 V N 2.936 122.735 119.914 -0.192 0.000 2.334 327 V HA 0.326 4.446 4.120 -0.000 0.000 0.281 327 V C 0.746 176.749 176.094 -0.153 0.000 1.016 327 V CA -0.900 61.236 62.300 -0.274 0.000 0.832 327 V CB 1.600 33.301 31.823 -0.203 0.000 0.999 327 V HN 0.926 nan 8.190 nan 0.000 0.439 328 G N 4.380 112.993 108.800 -0.312 0.000 2.406 328 G HA2 0.427 4.387 3.960 -0.000 0.000 0.251 328 G HA3 0.427 4.387 3.960 -0.000 0.000 0.251 328 G C -0.872 174.087 174.900 0.098 0.000 1.271 328 G CA 0.063 45.042 45.100 -0.200 0.000 0.859 328 G HN 0.959 nan 8.290 nan 0.000 0.540 329 Y N 1.136 121.502 120.300 0.109 0.000 2.534 329 Y HA 0.711 5.261 4.550 -0.000 0.000 0.345 329 Y C -1.317 174.766 175.900 0.304 0.000 1.031 329 Y CA -2.067 56.116 58.100 0.138 0.000 1.022 329 Y CB 1.492 39.992 38.460 0.066 0.000 1.292 329 Y HN 0.814 nan 8.280 nan 0.000 0.459 330 Y N 0.003 120.386 120.300 0.138 0.000 2.562 330 Y HA 0.638 5.188 4.550 -0.000 0.000 0.345 330 Y C -0.283 175.754 175.900 0.228 0.000 1.045 330 Y CA -1.352 56.797 58.100 0.083 0.000 1.028 330 Y CB 1.951 40.461 38.460 0.082 0.000 1.297 330 Y HN 0.699 nan 8.280 nan 0.000 0.463 331 E N 0.388 120.812 120.200 0.374 0.000 2.340 331 E HA 0.117 4.467 4.350 -0.000 0.000 0.194 331 E C -0.165 176.656 176.600 0.368 0.000 0.996 331 E CA 0.818 57.392 56.400 0.290 0.000 0.869 331 E CB 0.745 30.599 29.700 0.257 0.000 0.835 331 E HN 0.638 nan 8.360 nan 0.000 0.493 332 T N 0.084 114.959 114.554 0.536 0.000 2.932 332 T HA 0.064 4.414 4.350 -0.000 0.000 0.318 332 T C -1.031 173.990 174.700 0.535 0.000 1.265 332 T CA -0.748 61.718 62.100 0.609 0.000 1.036 332 T CB 1.365 70.514 68.868 0.468 0.000 1.209 332 T HN 0.001 nan 8.240 nan 0.000 0.484 333 D N 2.348 123.019 120.400 0.451 0.000 2.349 333 D HA 0.064 4.704 4.640 -0.000 0.000 0.224 333 D C 0.519 176.820 176.300 0.002 0.000 1.029 333 D CA 0.095 54.124 54.000 0.048 0.000 0.879 333 D CB -0.843 39.871 40.800 -0.143 0.000 0.906 333 D HN 0.814 nan 8.370 nan 0.000 0.528 334 N N -1.888 116.821 118.700 0.016 0.000 2.725 334 N HA -0.310 4.430 4.740 -0.000 0.000 0.249 334 N C -0.422 175.035 175.510 -0.089 0.000 1.103 334 N CA 1.091 53.950 53.050 -0.319 0.000 0.707 334 N CB -1.846 36.432 38.487 -0.348 0.000 1.043 334 N HN 0.443 nan 8.380 nan 0.000 0.553 335 Y N -1.268 119.121 120.300 0.148 0.000 3.260 335 Y HA 0.234 4.784 4.550 -0.000 0.000 0.202 335 Y C 0.239 176.417 175.900 0.464 0.000 0.962 335 Y CA 0.471 58.775 58.100 0.339 0.000 1.582 335 Y CB 0.687 39.204 38.460 0.095 0.000 1.478 335 Y HN -0.000 nan 8.280 nan 0.000 0.384 336 T N 3.691 118.540 114.554 0.492 0.000 2.771 336 T HA 0.279 4.629 4.350 -0.000 0.000 0.291 336 T C -0.282 174.737 174.700 0.532 0.000 0.954 336 T CA -0.379 61.988 62.100 0.444 0.000 1.045 336 T CB 0.672 69.768 68.868 0.380 0.000 0.917 336 T HN 0.205 nan 8.240 nan 0.000 0.484 337 M N 6.314 126.101 119.600 0.312 0.000 2.246 337 M HA 0.177 4.657 4.480 -0.000 0.000 0.350 337 M C -2.002 174.559 176.300 0.436 0.000 1.406 337 M CA -1.726 53.631 55.300 0.096 0.000 1.089 337 M CB 0.724 32.956 32.600 -0.614 0.000 1.782 337 M HN 0.254 nan 8.290 nan 0.000 0.457 338 P HA 0.040 nan 4.420 nan 0.000 0.267 338 P C -0.763 176.741 177.300 0.341 0.000 1.205 338 P CA -0.153 63.136 63.100 0.315 0.000 0.765 338 P CB 0.255 32.084 31.700 0.215 0.000 0.828 339 S N 4.425 120.247 115.700 0.204 0.000 2.566 339 S HA 0.069 4.539 4.470 -0.000 0.000 0.280 339 S C -1.226 173.430 174.600 0.092 0.000 1.343 339 S CA -0.704 57.540 58.200 0.073 0.000 1.036 339 S CB -0.462 62.689 63.200 -0.081 0.000 0.866 339 S HN 0.363 nan 8.310 nan 0.000 0.526 340 P HA -0.183 nan 4.420 nan 0.000 0.216 340 P C 1.575 178.890 177.300 0.025 0.000 1.150 340 P CA 1.967 65.103 63.100 0.060 0.000 0.843 340 P CB -0.433 31.297 31.700 0.050 0.000 0.787 341 A N -0.185 122.634 122.820 -0.001 0.000 1.892 341 A HA -0.231 4.089 4.320 -0.000 0.000 0.218 341 A C 2.424 179.998 177.584 -0.016 0.000 1.188 341 A CA 2.497 54.522 52.037 -0.019 0.000 0.631 341 A CB -1.527 17.448 19.000 -0.042 0.000 0.822 341 A HN 0.136 nan 8.150 nan 0.000 0.447 342 M N -1.983 117.612 119.600 -0.007 0.000 2.132 342 M HA -0.119 4.361 4.480 -0.000 0.000 0.263 342 M C 2.382 178.677 176.300 -0.009 0.000 1.065 342 M CA 1.936 57.222 55.300 -0.022 0.000 1.122 342 M CB -0.194 32.392 32.600 -0.023 0.000 1.365 342 M HN 0.484 nan 8.290 nan 0.000 0.411 343 R N 0.424 120.942 120.500 0.030 0.000 2.073 343 R HA -0.109 4.231 4.340 -0.000 0.000 0.234 343 R C 2.154 178.473 176.300 0.032 0.000 1.134 343 R CA 1.766 57.898 56.100 0.052 0.000 0.952 343 R CB -0.371 29.977 30.300 0.080 0.000 0.850 343 R HN 0.191 nan 8.270 nan 0.000 0.433 344 R N -0.292 120.219 120.500 0.019 0.000 2.073 344 R HA -0.092 4.248 4.340 -0.000 0.000 0.234 344 R C 2.144 178.438 176.300 -0.010 0.000 1.134 344 R CA 1.522 57.626 56.100 0.006 0.000 0.952 344 R CB -0.463 29.838 30.300 0.002 0.000 0.850 344 R HN 0.367 nan 8.270 nan 0.000 0.433 345 A N 1.821 124.628 122.820 -0.021 0.000 1.849 345 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 345 A C 2.120 179.679 177.584 -0.041 0.000 1.202 345 A CA 1.466 53.480 52.037 -0.037 0.000 0.629 345 A CB -1.035 17.935 19.000 -0.049 0.000 0.834 345 A HN 0.382 nan 8.150 nan 0.000 0.447 346 L N -0.017 121.185 121.223 -0.036 0.000 1.978 346 L HA -0.230 4.110 4.340 -0.000 0.000 0.218 346 L C 2.486 179.341 176.870 -0.025 0.000 1.075 346 L CA 2.573 57.396 54.840 -0.029 0.000 0.767 346 L CB -1.000 41.055 42.059 -0.006 0.000 0.890 346 L HN 0.527 nan 8.230 nan 0.000 0.434 347 I N -0.306 120.260 120.570 -0.007 0.000 2.286 347 I HA -0.319 3.851 4.170 -0.000 0.000 0.248 347 I C 2.482 178.573 176.117 -0.044 0.000 1.115 347 I CA 1.262 62.549 61.300 -0.021 0.000 1.392 347 I CB -0.187 37.821 38.000 0.014 0.000 1.065 347 I HN 0.389 nan 8.210 nan 0.000 0.418 348 E N -0.064 120.116 120.200 -0.034 0.000 2.047 348 E HA -0.225 4.125 4.350 -0.000 0.000 0.191 348 E C 2.211 178.783 176.600 -0.048 0.000 0.987 348 E CA 1.801 58.180 56.400 -0.036 0.000 0.799 348 E CB -0.054 29.630 29.700 -0.028 0.000 0.752 348 E HN 0.401 nan 8.360 nan 0.000 0.449 349 T N 0.361 114.880 114.554 -0.057 0.000 2.951 349 T HA -0.124 4.226 4.350 -0.000 0.000 0.268 349 T C 1.802 176.458 174.700 -0.073 0.000 1.073 349 T CA 1.066 63.124 62.100 -0.071 0.000 1.134 349 T CB -0.026 68.785 68.868 -0.095 0.000 0.884 349 T HN -0.039 nan 8.240 nan 0.000 0.479 350 K N 0.309 120.655 120.400 -0.090 0.000 2.026 350 K HA -0.127 4.193 4.320 -0.000 0.000 0.208 350 K C 2.431 178.956 176.600 -0.126 0.000 1.048 350 K CA 1.567 57.765 56.287 -0.149 0.000 0.929 350 K CB -0.310 32.021 32.500 -0.281 0.000 0.713 350 K HN 0.450 nan 8.250 nan 0.000 0.439 351 Q N -0.082 119.662 119.800 -0.094 0.000 2.124 351 Q HA -0.083 4.257 4.340 -0.000 0.000 0.202 351 Q C 2.187 178.168 176.000 -0.031 0.000 0.977 351 Q CA 1.351 57.118 55.803 -0.061 0.000 0.850 351 Q CB 0.154 28.866 28.738 -0.043 0.000 0.901 351 Q HN 0.177 nan 8.270 nan 0.000 0.429 352 R N -0.152 120.332 120.500 -0.027 0.000 2.090 352 R HA -0.031 4.309 4.340 -0.000 0.000 0.228 352 R C 2.203 178.519 176.300 0.028 0.000 1.110 352 R CA 0.739 56.836 56.100 -0.005 0.000 0.973 352 R CB -0.387 29.903 30.300 -0.017 0.000 0.869 352 R HN 0.338 nan 8.270 nan 0.000 0.440 353 L N 0.644 121.881 121.223 0.023 0.000 2.141 353 L HA -0.140 4.200 4.340 -0.000 0.000 0.209 353 L C 2.206 179.188 176.870 0.187 0.000 1.094 353 L CA 1.289 56.184 54.840 0.092 0.000 0.763 353 L CB -0.256 41.811 42.059 0.014 0.000 0.908 353 L HN 0.200 nan 8.230 nan 0.000 0.437 354 E N -0.111 120.133 120.200 0.074 0.000 2.072 354 E HA -0.203 4.147 4.350 -0.000 0.000 0.191 354 E C 2.300 178.925 176.600 0.042 0.000 0.985 354 E CA 1.054 57.484 56.400 0.051 0.000 0.801 354 E CB -0.119 29.581 29.700 0.001 0.000 0.750 354 E HN 0.494 nan 8.360 nan 0.000 0.452 355 A N 1.263 124.104 122.820 0.035 0.000 1.933 355 A HA -0.085 4.235 4.320 -0.000 0.000 0.218 355 A C 2.252 179.852 177.584 0.027 0.000 1.175 355 A CA 1.559 53.609 52.037 0.023 0.000 0.628 355 A CB -0.427 18.582 19.000 0.016 0.000 0.814 355 A HN 0.272 nan 8.150 nan 0.000 0.444 356 A N -1.929 120.933 122.820 0.070 0.000 2.235 356 A HA 0.412 4.732 4.320 -0.000 0.000 0.208 356 A C 1.699 179.233 177.584 -0.082 0.000 1.172 356 A CA 1.203 53.277 52.037 0.063 0.000 0.786 356 A CB -0.942 18.171 19.000 0.187 0.000 0.804 356 A HN 1.880 nan 8.150 nan 0.000 0.479 357 G N -1.443 107.315 108.800 -0.071 0.000 2.176 357 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.232 357 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.232 357 G C 0.009 174.788 174.900 -0.202 0.000 0.986 357 G CA 0.252 45.261 45.100 -0.151 0.000 0.643 357 G HN 0.755 nan 8.290 nan 0.000 0.522 358 H N 0.560 119.631 119.070 0.002 0.000 2.547 358 H HA 0.598 5.154 4.556 -0.000 0.000 0.362 358 H C 0.839 176.160 175.328 -0.013 0.000 1.181 358 H CA 0.814 56.861 56.048 -0.002 0.000 1.376 358 H CB 1.185 30.960 29.762 0.021 0.000 1.488 358 H HN 0.302 nan 8.280 nan 0.000 0.583 359 T N 1.458 116.073 114.554 0.103 0.000 2.779 359 T HA 0.389 4.739 4.350 -0.000 0.000 0.280 359 T C -0.907 173.816 174.700 0.039 0.000 0.987 359 T CA -0.975 61.152 62.100 0.044 0.000 0.966 359 T CB 0.353 69.230 68.868 0.015 0.000 0.933 359 T HN 0.232 nan 8.240 nan 0.000 0.442 360 L N 5.355 126.607 121.223 0.048 0.000 2.316 360 L HA 0.558 4.898 4.340 -0.000 0.000 0.280 360 L C -0.735 176.265 176.870 0.218 0.000 1.006 360 L CA -0.650 54.238 54.840 0.080 0.000 0.836 360 L CB 1.143 43.167 42.059 -0.058 0.000 1.221 360 L HN 0.785 nan 8.230 nan 0.000 0.418 361 I N 5.906 126.630 120.570 0.256 0.000 2.389 361 I HA 0.351 4.521 4.170 -0.000 0.000 0.288 361 I C -2.136 174.061 176.117 0.134 0.000 0.999 361 I CA -1.920 59.495 61.300 0.191 0.000 1.129 361 I CB 1.853 39.879 38.000 0.043 0.000 1.288 361 I HN 0.350 nan 8.210 nan 0.000 0.444 362 P HA 0.071 nan 4.420 nan 0.000 0.263 362 P C -1.080 176.179 177.300 -0.068 0.000 1.195 362 P CA 0.368 63.232 63.100 -0.392 0.000 0.762 362 P CB 0.103 31.675 31.700 -0.214 0.000 0.799 363 F N 4.921 124.723 119.950 -0.246 0.000 2.588 363 F HA 0.567 5.094 4.527 -0.000 0.000 0.314 363 F C -1.904 173.872 175.800 -0.039 0.000 1.134 363 F CA -1.012 56.926 58.000 -0.102 0.000 0.961 363 F CB 1.355 40.299 39.000 -0.093 0.000 1.239 363 F HN 0.070 nan 8.300 nan 0.000 0.448 364 L N 8.238 129.048 121.223 -0.689 0.000 2.409 364 L HA 0.707 5.047 4.340 -0.000 0.000 0.272 364 L C -2.631 173.734 176.870 -0.842 0.000 0.980 364 L CA -1.983 52.459 54.840 -0.663 0.000 0.826 364 L CB 1.991 43.768 42.059 -0.470 0.000 1.268 364 L HN 0.341 nan 8.230 nan 0.000 0.407 365 P HA 0.130 nan 4.420 nan 0.000 0.264 365 P C -1.272 175.900 177.300 -0.213 0.000 1.193 365 P CA -0.004 62.925 63.100 -0.285 0.000 0.763 365 P CB 0.135 31.815 31.700 -0.032 0.000 0.810 366 N N 1.868 120.481 118.700 -0.144 0.000 2.479 366 N HA 0.006 4.746 4.740 -0.000 0.000 0.257 366 N C -0.296 175.289 175.510 0.125 0.000 1.232 366 N CA -0.456 52.566 53.050 -0.046 0.000 0.920 366 N CB -0.439 38.027 38.487 -0.034 0.000 1.105 366 N HN 0.289 nan 8.380 nan 0.000 0.444 367 N N -0.341 118.397 118.700 0.064 0.000 2.735 367 N HA -0.204 4.536 4.740 -0.000 0.000 0.248 367 N C 0.096 175.631 175.510 0.042 0.000 1.083 367 N CA 0.651 53.757 53.050 0.094 0.000 0.703 367 N CB -1.173 37.411 38.487 0.162 0.000 1.005 367 N HN 0.584 nan 8.380 nan 0.000 0.550 368 I N 0.152 120.701 120.570 -0.034 0.000 2.118 368 I HA -0.239 3.931 4.170 -0.000 0.000 0.241 368 I C -0.514 175.468 176.117 -0.225 0.000 1.070 368 I CA 1.626 62.835 61.300 -0.152 0.000 1.327 368 I CB -0.799 37.083 38.000 -0.197 0.000 1.034 368 I HN 0.212 nan 8.210 nan 0.000 0.405 369 P HA -0.236 nan 4.420 nan 0.000 0.215 369 P C 1.580 178.858 177.300 -0.037 0.000 1.153 369 P CA 1.445 64.529 63.100 -0.027 0.000 0.853 369 P CB -0.175 31.643 31.700 0.197 0.000 0.788 370 Y N 0.748 120.963 120.300 -0.142 0.000 2.207 370 Y HA -0.194 4.356 4.550 -0.000 0.000 0.287 370 Y C 2.255 177.978 175.900 -0.296 0.000 1.156 370 Y CA 1.630 59.623 58.100 -0.178 0.000 1.182 370 Y CB -0.984 37.377 38.460 -0.165 0.000 0.979 370 Y HN -0.111 nan 8.280 nan 0.000 0.521 371 A N -0.335 122.158 122.820 -0.545 0.000 1.970 371 A HA 0.005 4.325 4.320 -0.000 0.000 0.216 371 A C 2.223 179.489 177.584 -0.530 0.000 1.170 371 A CA 1.214 52.794 52.037 -0.762 0.000 0.645 371 A CB -0.811 17.646 19.000 -0.905 0.000 0.816 371 A HN 0.511 nan 8.150 nan 0.000 0.447 372 L N -1.040 119.918 121.223 -0.442 0.000 2.044 372 L HA -0.110 4.230 4.340 -0.000 0.000 0.205 372 L C 2.472 179.192 176.870 -0.250 0.000 1.075 372 L CA 1.553 56.161 54.840 -0.387 0.000 0.747 372 L CB -0.395 41.321 42.059 -0.571 0.000 0.903 372 L HN 0.389 nan 8.230 nan 0.000 0.435 373 E N -0.888 119.197 120.200 -0.191 0.000 2.190 373 E HA -0.117 4.233 4.350 -0.000 0.000 0.191 373 E C 2.004 178.555 176.600 -0.082 0.000 0.978 373 E CA 0.947 57.317 56.400 -0.051 0.000 0.839 373 E CB 0.405 30.131 29.700 0.042 0.000 0.787 373 E HN 0.338 nan 8.360 nan 0.000 0.473 374 V N -0.692 119.093 119.914 -0.215 0.000 3.048 374 V HA 0.075 4.195 4.120 -0.000 0.000 0.241 374 V C 1.578 177.494 176.094 -0.296 0.000 1.129 374 V CA 0.475 62.638 62.300 -0.229 0.000 1.128 374 V CB 0.030 31.745 31.823 -0.179 0.000 0.849 374 V HN 0.140 nan 8.190 nan 0.000 0.475 375 L N 0.329 121.283 121.223 -0.448 0.000 2.102 375 L HA 0.085 4.424 4.340 -0.000 0.000 0.202 375 L C 2.732 179.444 176.870 -0.265 0.000 1.076 375 L CA 1.558 56.170 54.840 -0.381 0.000 0.761 375 L CB -0.738 41.011 42.059 -0.516 0.000 0.921 375 L HN 0.283 nan 8.230 nan 0.000 0.444 376 S N 0.324 115.859 115.700 -0.275 0.000 2.336 376 S HA -0.028 4.442 4.470 -0.000 0.000 0.216 376 S C 2.134 176.622 174.600 -0.186 0.000 1.032 376 S CA 1.114 59.179 58.200 -0.226 0.000 0.973 376 S CB -0.233 62.821 63.200 -0.244 0.000 0.888 376 S HN 0.415 nan 8.310 nan 0.000 0.455 377 A N 1.162 123.902 122.820 -0.135 0.000 1.970 377 A HA 0.231 4.551 4.320 -0.000 0.000 0.216 377 A C 2.180 179.750 177.584 -0.025 0.000 1.170 377 A CA 1.422 53.428 52.037 -0.051 0.000 0.645 377 A CB -1.017 18.048 19.000 0.108 0.000 0.816 377 A HN 0.510 nan 8.150 nan 0.000 0.447 378 G N -0.769 108.004 108.800 -0.046 0.000 2.494 378 G HA2 0.183 4.143 3.960 -0.000 0.000 0.216 378 G HA3 0.183 4.143 3.960 -0.000 0.000 0.216 378 G C 1.402 176.281 174.900 -0.034 0.000 1.140 378 G CA 1.053 46.142 45.100 -0.017 0.000 0.801 378 G HN 0.603 nan 8.290 nan 0.000 0.536 379 G N 1.034 109.782 108.800 -0.088 0.000 2.402 379 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.216 379 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.216 379 G C 1.747 176.585 174.900 -0.103 0.000 1.162 379 G CA 0.514 45.563 45.100 -0.085 0.000 0.777 379 G HN 0.389 nan 8.290 nan 0.000 0.539 380 L N -0.924 120.179 121.223 -0.201 0.000 2.093 380 L HA 0.125 4.465 4.340 -0.000 0.000 0.208 380 L C 1.463 178.162 176.870 -0.286 0.000 1.085 380 L CA 0.628 55.259 54.840 -0.348 0.000 0.755 380 L CB -0.135 41.548 42.059 -0.627 0.000 0.904 380 L HN 0.100 nan 8.230 nan 0.000 0.435 381 F N -0.692 119.213 119.950 -0.074 0.000 2.850 381 F HA 0.166 4.693 4.527 -0.000 0.000 0.306 381 F C 1.922 177.691 175.800 -0.051 0.000 1.162 381 F CA -0.570 57.383 58.000 -0.077 0.000 1.327 381 F CB -0.525 38.409 39.000 -0.110 0.000 0.953 381 F HN -0.097 nan 8.300 nan 0.000 0.507 382 S N -0.409 115.365 115.700 0.123 0.000 2.469 382 S HA -0.180 4.290 4.470 -0.000 0.000 0.238 382 S C 1.714 176.355 174.600 0.067 0.000 0.998 382 S CA 1.409 59.653 58.200 0.074 0.000 0.957 382 S CB -0.213 63.016 63.200 0.049 0.000 0.764 382 S HN 0.601 nan 8.310 nan 0.000 0.514 383 D N -0.079 120.375 120.400 0.090 0.000 2.369 383 D HA 0.192 4.832 4.640 -0.000 0.000 0.211 383 D C 1.284 177.615 176.300 0.053 0.000 1.077 383 D CA 0.758 54.800 54.000 0.071 0.000 0.842 383 D CB 0.026 40.880 40.800 0.090 0.000 0.947 383 D HN 0.420 nan 8.370 nan 0.000 0.509 384 G N 0.176 109.000 108.800 0.041 0.000 2.213 384 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.236 384 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.236 384 G C 1.175 176.018 174.900 -0.095 0.000 0.991 384 G CA 0.301 45.380 45.100 -0.036 0.000 0.629 384 G HN 1.343 nan 8.290 nan 0.000 0.517 385 G N -1.539 107.274 108.800 0.022 0.000 2.157 385 G HA2 0.180 4.140 3.960 -0.000 0.000 0.239 385 G HA3 0.180 4.140 3.960 -0.000 0.000 0.239 385 G C 1.205 176.199 174.900 0.157 0.000 0.982 385 G CA 1.556 46.706 45.100 0.082 0.000 0.650 385 G HN 1.900 nan 8.290 nan 0.000 0.527 386 R N 0.714 121.276 120.500 0.104 0.000 2.066 386 R HA 0.220 4.560 4.340 -0.000 0.000 0.232 386 R C 2.812 179.185 176.300 0.121 0.000 1.131 386 R CA 2.596 58.748 56.100 0.086 0.000 0.955 386 R CB -1.477 28.855 30.300 0.052 0.000 0.851 386 R HN 0.953 nan 8.270 nan 0.000 0.432 387 S N 0.254 116.043 115.700 0.148 0.000 2.383 387 S HA -0.139 4.331 4.470 -0.000 0.000 0.229 387 S C 1.825 176.545 174.600 0.199 0.000 1.030 387 S CA 1.423 59.716 58.200 0.155 0.000 1.002 387 S CB -0.463 62.831 63.200 0.156 0.000 0.829 387 S HN 0.620 nan 8.310 nan 0.000 0.467 388 F N 1.784 121.804 119.950 0.117 0.000 2.234 388 F HA 0.223 4.750 4.527 -0.000 0.000 0.296 388 F C 1.653 177.599 175.800 0.245 0.000 1.089 388 F CA 0.723 58.825 58.000 0.170 0.000 1.343 388 F CB -0.223 38.911 39.000 0.223 0.000 1.040 388 F HN 0.048 nan 8.300 nan 0.000 0.498 389 L N 0.008 121.305 121.223 0.124 0.000 2.465 389 L HA -0.111 4.229 4.340 -0.000 0.000 0.224 389 L C 2.122 179.033 176.870 0.067 0.000 1.145 389 L CA 0.602 55.471 54.840 0.049 0.000 0.834 389 L CB -0.492 41.588 42.059 0.036 0.000 0.944 389 L HN 0.190 nan 8.230 nan 0.000 0.451 390 Q N 0.252 120.074 119.800 0.038 0.000 2.291 390 Q HA -0.151 4.189 4.340 -0.000 0.000 0.205 390 Q C 1.447 177.422 176.000 -0.043 0.000 0.970 390 Q CA 1.235 57.045 55.803 0.011 0.000 0.876 390 Q CB 0.015 28.766 28.738 0.020 0.000 0.935 390 Q HN 0.457 nan 8.270 nan 0.000 0.455 391 N N -1.369 117.257 118.700 -0.124 0.000 2.461 391 N HA 0.022 4.762 4.740 -0.000 0.000 0.188 391 N C -0.409 174.810 175.510 -0.485 0.000 1.134 391 N CA 0.339 53.198 53.050 -0.318 0.000 0.878 391 N CB 0.301 38.510 38.487 -0.465 0.000 0.972 391 N HN 0.155 nan 8.380 nan 0.000 0.456 392 F N 0.038 119.878 119.950 -0.184 0.000 2.724 392 F HA 0.294 4.821 4.527 -0.000 0.000 0.310 392 F C 0.454 176.177 175.800 -0.129 0.000 1.107 392 F CA -0.550 57.353 58.000 -0.160 0.000 1.218 392 F CB 0.456 39.345 39.000 -0.185 0.000 1.042 392 F HN -0.267 nan 8.300 nan 0.000 0.540 393 K N 0.527 120.940 120.400 0.021 0.000 2.378 393 K HA 0.374 4.694 4.320 -0.000 0.000 0.288 393 K C 1.210 177.773 176.600 -0.061 0.000 1.057 393 K CA 0.950 57.227 56.287 -0.017 0.000 0.971 393 K CB 0.244 32.730 32.500 -0.024 0.000 0.975 393 K HN 0.384 nan 8.250 nan 0.000 0.475 394 G N 2.951 111.701 108.800 -0.082 0.000 2.267 394 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.257 394 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.257 394 G C 0.151 174.908 174.900 -0.237 0.000 0.998 394 G CA 0.182 45.195 45.100 -0.144 0.000 0.620 394 G HN 0.665 nan 8.290 nan 0.000 0.529 395 D N 0.130 120.429 120.400 -0.168 0.000 2.362 395 D HA 0.461 5.101 4.640 -0.000 0.000 0.242 395 D C 0.833 177.015 176.300 -0.196 0.000 1.132 395 D CA -0.280 53.613 54.000 -0.180 0.000 0.907 395 D CB 0.221 40.988 40.800 -0.054 0.000 1.195 395 D HN 0.116 nan 8.370 nan 0.000 0.429 396 F N 0.120 120.095 119.950 0.043 0.000 2.450 396 F HA 0.118 4.645 4.527 0.000 0.000 0.339 396 F C 0.794 176.666 175.800 0.120 0.000 1.146 396 F CA -0.585 57.447 58.000 0.053 0.000 1.267 396 F CB 0.615 39.629 39.000 0.022 0.000 1.178 396 F HN -0.020 nan 8.300 nan 0.000 0.585 397 V N -0.558 119.538 119.914 0.302 0.000 2.417 397 V HA 0.325 4.445 4.120 -0.000 0.000 0.291 397 V C -0.400 175.793 176.094 0.166 0.000 1.024 397 V CA -1.060 61.372 62.300 0.220 0.000 0.861 397 V CB 1.445 33.305 31.823 0.062 0.000 0.985 397 V HN 0.716 nan 8.190 nan 0.000 0.436 398 D N 6.636 127.135 120.400 0.165 0.000 2.383 398 D HA 0.203 4.843 4.640 -0.000 0.000 0.252 398 D C -1.214 175.125 176.300 0.064 0.000 1.166 398 D CA -1.329 52.731 54.000 0.100 0.000 0.879 398 D CB 2.257 43.119 40.800 0.104 0.000 1.164 398 D HN 0.465 nan 8.370 nan 0.000 0.462 399 P HA -0.194 nan 4.420 nan 0.000 0.218 399 P C 1.745 179.050 177.300 0.009 0.000 1.146 399 P CA 0.912 64.021 63.100 0.015 0.000 0.820 399 P CB -0.295 31.405 31.700 -0.000 0.000 0.778 400 C N -2.083 117.224 119.300 0.010 0.000 2.432 400 C HA 0.030 4.490 4.460 -0.000 0.000 0.282 400 C C 2.464 177.455 174.990 0.001 0.000 1.388 400 C CA 0.013 59.026 59.018 -0.009 0.000 1.777 400 C CB -2.330 25.405 27.740 -0.008 0.000 1.882 400 C HN 0.030 nan 8.230 nan 0.000 0.520 401 L N 1.651 122.900 121.223 0.042 0.000 2.552 401 L HA 0.314 4.654 4.340 -0.000 0.000 0.227 401 L C 2.014 178.914 176.870 0.050 0.000 1.146 401 L CA 1.623 56.503 54.840 0.066 0.000 0.858 401 L CB -0.949 41.172 42.059 0.103 0.000 0.969 401 L HN 0.779 nan 8.230 nan 0.000 0.451 402 G N -0.247 108.571 108.800 0.030 0.000 2.583 402 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.292 402 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.292 402 G C 0.450 175.371 174.900 0.036 0.000 1.203 402 G CA 0.391 45.511 45.100 0.034 0.000 0.987 402 G HN 0.241 nan 8.290 nan 0.000 0.554 403 D N 0.555 120.990 120.400 0.058 0.000 2.340 403 D HA 0.254 4.894 4.640 -0.000 0.000 0.217 403 D C 2.239 178.564 176.300 0.042 0.000 1.081 403 D CA -0.190 53.836 54.000 0.044 0.000 0.842 403 D CB 0.377 41.211 40.800 0.056 0.000 0.934 403 D HN 0.238 nan 8.370 nan 0.000 0.511 404 L N 0.973 122.239 121.223 0.072 0.000 2.043 404 L HA -0.166 4.174 4.340 -0.000 0.000 0.212 404 L C 1.668 178.526 176.870 -0.020 0.000 1.075 404 L CA 1.524 56.413 54.840 0.082 0.000 0.752 404 L CB -0.413 41.743 42.059 0.162 0.000 0.891 404 L HN 0.004 nan 8.230 nan 0.000 0.432 405 I N -1.333 119.185 120.570 -0.088 0.000 2.286 405 I HA -0.217 3.953 4.170 -0.000 0.000 0.245 405 I C 2.541 178.572 176.117 -0.143 0.000 1.104 405 I CA 0.935 62.114 61.300 -0.201 0.000 1.397 405 I CB -1.216 36.549 38.000 -0.391 0.000 1.072 405 I HN 0.267 nan 8.210 nan 0.000 0.417 406 L N 0.879 122.046 121.223 -0.093 0.000 1.989 406 L HA -0.188 4.152 4.340 -0.000 0.000 0.211 406 L C 2.434 179.260 176.870 -0.072 0.000 1.071 406 L CA 1.861 56.660 54.840 -0.068 0.000 0.749 406 L CB -0.242 41.795 42.059 -0.036 0.000 0.890 406 L HN 0.065 nan 8.230 nan 0.000 0.431 407 I N -1.051 119.476 120.570 -0.072 0.000 2.546 407 I HA -0.265 3.905 4.170 -0.000 0.000 0.255 407 I C 2.114 178.123 176.117 -0.180 0.000 1.163 407 I CA 0.857 62.095 61.300 -0.103 0.000 1.457 407 I CB -0.140 37.808 38.000 -0.088 0.000 1.092 407 I HN 0.258 nan 8.210 nan 0.000 0.434 408 L N -0.128 120.973 121.223 -0.204 0.000 2.156 408 L HA -0.082 4.258 4.340 -0.000 0.000 0.208 408 L C 2.525 179.295 176.870 -0.167 0.000 1.095 408 L CA 1.006 55.698 54.840 -0.246 0.000 0.770 408 L CB -0.436 41.465 42.059 -0.263 0.000 0.914 408 L HN 0.094 nan 8.230 nan 0.000 0.439 409 R N -0.096 120.326 120.500 -0.130 0.000 2.236 409 R HA 0.072 4.412 4.340 -0.000 0.000 0.208 409 R C 0.529 176.765 176.300 -0.107 0.000 1.036 409 R CA -0.001 56.037 56.100 -0.104 0.000 1.001 409 R CB -0.084 30.160 30.300 -0.093 0.000 0.896 409 R HN 0.228 nan 8.270 nan 0.000 0.464 410 L N 3.110 124.264 121.223 -0.116 0.000 2.543 410 L HA 0.020 4.360 4.340 -0.000 0.000 0.285 410 L C -1.762 174.998 176.870 -0.183 0.000 1.236 410 L CA -1.373 53.389 54.840 -0.131 0.000 0.871 410 L CB -0.100 41.932 42.059 -0.045 0.000 1.121 410 L HN -0.039 nan 8.230 nan 0.000 0.501 411 P HA 0.031 nan 4.420 nan 0.000 0.267 411 P C 0.303 177.377 177.300 -0.377 0.000 1.200 411 P CA -0.171 62.726 63.100 -0.338 0.000 0.772 411 P CB 0.734 32.111 31.700 -0.539 0.000 0.855 412 S N 2.029 117.614 115.700 -0.191 0.000 2.374 412 S HA -0.159 4.311 4.470 -0.000 0.000 0.227 412 S C 1.758 176.321 174.600 -0.062 0.000 1.037 412 S CA 1.363 59.503 58.200 -0.101 0.000 1.024 412 S CB -0.864 62.335 63.200 -0.002 0.000 0.861 412 S HN 0.730 nan 8.310 nan 0.000 0.456 413 W N 0.586 121.918 121.300 0.053 0.000 2.374 413 W HA -0.042 4.618 4.660 0.000 0.000 0.288 413 W C 1.829 178.415 176.519 0.112 0.000 1.218 413 W CA 0.403 57.786 57.345 0.063 0.000 1.245 413 W CB -1.040 28.457 29.460 0.060 0.000 1.126 413 W HN 0.273 nan 8.180 nan 0.000 0.545 414 F N 2.539 122.073 119.950 -0.693 0.000 2.234 414 F HA 0.052 4.579 4.527 -0.000 0.000 0.296 414 F C 2.499 178.127 175.800 -0.286 0.000 1.089 414 F CA 1.578 59.226 58.000 -0.586 0.000 1.343 414 F CB -0.535 37.831 39.000 -1.057 0.000 1.040 414 F HN -0.300 nan 8.300 nan 0.000 0.498 415 K N 0.266 120.478 120.400 -0.312 0.000 2.034 415 K HA -0.273 4.047 4.320 -0.000 0.000 0.214 415 K C 2.525 178.996 176.600 -0.216 0.000 1.051 415 K CA 2.728 58.843 56.287 -0.285 0.000 0.931 415 K CB -0.434 31.941 32.500 -0.208 0.000 0.715 415 K HN 0.258 nan 8.250 nan 0.000 0.446 416 R N 0.760 121.194 120.500 -0.109 0.000 2.075 416 R HA -0.058 4.282 4.340 -0.000 0.000 0.232 416 R C 2.143 178.416 176.300 -0.045 0.000 1.126 416 R CA 1.751 57.825 56.100 -0.044 0.000 0.963 416 R CB -1.440 28.876 30.300 0.027 0.000 0.858 416 R HN 0.260 nan 8.270 nan 0.000 0.435 417 L N 0.154 121.359 121.223 -0.030 0.000 2.046 417 L HA 0.063 4.403 4.340 -0.000 0.000 0.208 417 L C 2.383 179.175 176.870 -0.131 0.000 1.077 417 L CA 1.603 56.431 54.840 -0.021 0.000 0.747 417 L CB -0.311 41.813 42.059 0.107 0.000 0.896 417 L HN 0.392 nan 8.230 nan 0.000 0.432 418 L N -1.373 119.662 121.223 -0.313 0.000 2.141 418 L HA -0.179 4.160 4.340 -0.000 0.000 0.209 418 L C 2.650 179.412 176.870 -0.180 0.000 1.094 418 L CA 1.300 55.940 54.840 -0.334 0.000 0.763 418 L CB -0.367 41.359 42.059 -0.555 0.000 0.908 418 L HN 0.425 nan 8.230 nan 0.000 0.437 419 S N 0.519 116.131 115.700 -0.147 0.000 2.344 419 S HA -0.184 4.286 4.470 -0.000 0.000 0.217 419 S C 1.859 176.434 174.600 -0.041 0.000 1.033 419 S CA 1.702 59.854 58.200 -0.080 0.000 1.017 419 S CB -0.281 62.879 63.200 -0.067 0.000 0.941 419 S HN 0.503 nan 8.310 nan 0.000 0.430 420 L N -0.411 120.792 121.223 -0.033 0.000 2.492 420 L HA 0.269 4.609 4.340 -0.000 0.000 0.223 420 L C 2.183 179.047 176.870 -0.009 0.000 1.132 420 L CA 0.862 55.695 54.840 -0.012 0.000 0.850 420 L CB -0.529 41.528 42.059 -0.003 0.000 0.966 420 L HN 0.293 nan 8.230 nan 0.000 0.454 421 L N -0.074 121.139 121.223 -0.017 0.000 2.093 421 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 421 L C 2.391 179.267 176.870 0.011 0.000 1.085 421 L CA 0.922 55.759 54.840 -0.005 0.000 0.755 421 L CB -0.101 41.950 42.059 -0.013 0.000 0.904 421 L HN 0.281 nan 8.230 nan 0.000 0.435 422 L N -0.141 121.091 121.223 0.015 0.000 2.209 422 L HA -0.088 4.252 4.340 -0.000 0.000 0.207 422 L C 2.925 179.823 176.870 0.047 0.000 1.094 422 L CA 1.886 56.770 54.840 0.073 0.000 0.790 422 L CB -1.356 40.743 42.059 0.067 0.000 0.932 422 L HN 0.148 nan 8.230 nan 0.000 0.447 423 K N 0.901 121.311 120.400 0.016 0.000 2.089 423 K HA -0.191 4.129 4.320 -0.000 0.000 0.210 423 K C 0.059 176.653 176.600 -0.011 0.000 1.048 423 K CA 2.076 58.369 56.287 0.009 0.000 0.926 423 K CB -2.639 29.866 32.500 0.009 0.000 0.714 423 K HN 0.487 nan 8.250 nan 0.000 0.448 424 P HA -0.096 nan 4.420 nan 0.000 0.217 424 P C 1.023 178.246 177.300 -0.129 0.000 1.150 424 P CA 0.761 63.824 63.100 -0.062 0.000 0.832 424 P CB 0.133 31.799 31.700 -0.057 0.000 0.787 425 L N -2.481 118.621 121.223 -0.203 0.000 2.362 425 L HA 0.222 4.562 4.340 -0.000 0.000 0.204 425 L C 1.042 177.471 176.870 -0.734 0.000 1.060 425 L CA 1.040 55.571 54.840 -0.515 0.000 0.827 425 L CB -0.868 40.801 42.059 -0.651 0.000 1.027 425 L HN -0.131 nan 8.230 nan 0.000 0.474 426 F N 0.890 120.816 119.950 -0.039 0.000 2.622 426 F HA 0.315 4.842 4.527 -0.000 0.000 0.338 426 F C -1.476 174.266 175.800 -0.096 0.000 1.334 426 F CA -1.241 56.714 58.000 -0.076 0.000 1.179 426 F CB 0.726 39.647 39.000 -0.131 0.000 1.471 426 F HN -0.096 nan 8.300 nan 0.000 0.576 427 P HA -0.153 nan 4.420 nan 0.000 0.218 427 P C 1.497 178.782 177.300 -0.025 0.000 1.149 427 P CA 1.297 64.421 63.100 0.041 0.000 0.817 427 P CB 0.289 32.049 31.700 0.099 0.000 0.785 428 R N -0.756 119.638 120.500 -0.177 0.000 2.073 428 R HA -0.062 4.278 4.340 -0.000 0.000 0.234 428 R C 2.339 178.525 176.300 -0.191 0.000 1.134 428 R CA 1.098 57.039 56.100 -0.266 0.000 0.952 428 R CB -1.013 28.933 30.300 -0.590 0.000 0.850 428 R HN 0.193 nan 8.270 nan 0.000 0.433 429 L N 0.330 121.366 121.223 -0.311 0.000 2.093 429 L HA -0.068 4.272 4.340 -0.000 0.000 0.208 429 L C 2.465 179.325 176.870 -0.017 0.000 1.085 429 L CA 1.640 56.315 54.840 -0.276 0.000 0.755 429 L CB -0.736 41.108 42.059 -0.359 0.000 0.904 429 L HN 0.149 nan 8.230 nan 0.000 0.435 430 A N -0.735 122.080 122.820 -0.008 0.000 1.898 430 A HA -0.096 4.224 4.320 -0.000 0.000 0.216 430 A C 2.481 180.090 177.584 0.042 0.000 1.181 430 A CA 1.621 53.665 52.037 0.011 0.000 0.620 430 A CB -0.807 18.202 19.000 0.015 0.000 0.819 430 A HN 0.365 nan 8.150 nan 0.000 0.442 431 A N -1.369 121.498 122.820 0.079 0.000 1.930 431 A HA -0.012 4.308 4.320 -0.000 0.000 0.217 431 A C 2.086 179.782 177.584 0.188 0.000 1.175 431 A CA 1.282 53.387 52.037 0.113 0.000 0.627 431 A CB -0.722 18.352 19.000 0.123 0.000 0.815 431 A HN 0.630 nan 8.150 nan 0.000 0.443 432 F N 0.260 120.251 119.950 0.069 0.000 2.126 432 F HA -0.199 4.328 4.527 0.000 0.000 0.299 432 F C 1.933 177.774 175.800 0.069 0.000 1.096 432 F CA 1.493 59.575 58.000 0.137 0.000 1.255 432 F CB -0.034 39.110 39.000 0.239 0.000 0.997 432 F HN 0.159 nan 8.300 nan 0.000 0.479 433 L N -0.023 121.192 121.223 -0.013 0.000 2.109 433 L HA -0.228 4.112 4.340 -0.000 0.000 0.207 433 L C 2.223 179.017 176.870 -0.127 0.000 1.086 433 L CA 1.314 56.054 54.840 -0.167 0.000 0.760 433 L CB -0.762 41.216 42.059 -0.135 0.000 0.910 433 L HN 0.235 nan 8.230 nan 0.000 0.437 434 N N -0.503 118.171 118.700 -0.044 0.000 2.381 434 N HA -0.166 4.574 4.740 -0.000 0.000 0.182 434 N C 1.981 177.481 175.510 -0.017 0.000 1.025 434 N CA 1.220 54.254 53.050 -0.026 0.000 0.888 434 N CB 0.244 38.735 38.487 0.006 0.000 0.965 434 N HN 0.356 nan 8.380 nan 0.000 0.438 435 S N 0.867 116.567 115.700 -0.000 0.000 2.395 435 S HA -0.121 4.349 4.470 -0.000 0.000 0.225 435 S C 1.980 176.590 174.600 0.016 0.000 1.027 435 S CA 0.626 58.845 58.200 0.032 0.000 0.965 435 S CB -0.405 62.858 63.200 0.105 0.000 0.812 435 S HN 0.409 nan 8.310 nan 0.000 0.482 436 M N 1.454 120.998 119.600 -0.094 0.000 2.659 436 M HA 0.261 4.741 4.480 -0.000 0.000 0.243 436 M C 0.945 177.153 176.300 -0.155 0.000 1.111 436 M CA -0.032 55.151 55.300 -0.195 0.000 1.070 436 M CB -0.491 31.799 32.600 -0.516 0.000 1.525 436 M HN 0.131 nan 8.290 nan 0.000 0.517 437 R N 3.001 123.444 120.500 -0.095 0.000 2.590 437 R HA 0.289 4.629 4.340 -0.000 0.000 0.274 437 R C -2.955 173.327 176.300 -0.030 0.000 1.061 437 R CA -1.072 54.990 56.100 -0.063 0.000 1.081 437 R CB -0.374 29.900 30.300 -0.043 0.000 0.984 437 R HN 0.034 nan 8.270 nan 0.000 0.448 438 P HA 0.316 nan 4.420 nan 0.000 0.280 438 P C -0.690 176.610 177.300 -0.000 0.000 1.244 438 P CA -0.262 62.835 63.100 -0.005 0.000 0.784 438 P CB 0.787 32.484 31.700 -0.005 0.000 0.913 439 R N 0.940 121.443 120.500 0.005 0.000 2.828 439 R HA 0.615 4.955 4.340 -0.000 0.000 0.264 439 R C 0.372 176.661 176.300 -0.018 0.000 1.022 439 R CA -0.668 55.431 56.100 -0.003 0.000 1.021 439 R CB 1.499 31.803 30.300 0.006 0.000 1.163 439 R HN 0.567 nan 8.270 nan 0.000 0.494 440 S N -0.051 115.625 115.700 -0.040 0.000 2.707 440 S HA 0.349 4.819 4.470 -0.000 0.000 0.276 440 S C 1.045 175.573 174.600 -0.121 0.000 1.179 440 S CA -0.348 57.805 58.200 -0.078 0.000 0.992 440 S CB 1.639 64.781 63.200 -0.096 0.000 1.030 440 S HN 0.705 nan 8.310 nan 0.000 0.554 441 A N 0.244 122.945 122.820 -0.199 0.000 1.940 441 A HA -0.113 4.207 4.320 -0.000 0.000 0.219 441 A C 2.081 179.285 177.584 -0.634 0.000 1.176 441 A CA 1.743 53.561 52.037 -0.364 0.000 0.631 441 A CB -1.215 17.534 19.000 -0.418 0.000 0.814 441 A HN 0.986 nan 8.150 nan 0.000 0.446 442 E N -0.593 119.290 120.200 -0.528 0.000 2.070 442 E HA -0.271 4.079 4.350 -0.000 0.000 0.197 442 E C 1.878 178.395 176.600 -0.138 0.000 1.004 442 E CA 1.658 57.825 56.400 -0.389 0.000 0.805 442 E CB -0.035 29.524 29.700 -0.236 0.000 0.744 442 E HN 0.370 nan 8.360 nan 0.000 0.451 443 K N 0.415 120.760 120.400 -0.091 0.000 2.167 443 K HA 0.048 4.368 4.320 -0.000 0.000 0.203 443 K C 1.918 178.541 176.600 0.038 0.000 1.052 443 K CA 0.289 56.572 56.287 -0.007 0.000 0.956 443 K CB -0.253 32.240 32.500 -0.012 0.000 0.735 443 K HN 0.144 nan 8.250 nan 0.000 0.451 444 L N -0.590 120.646 121.223 0.021 0.000 2.093 444 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 444 L C 1.445 178.460 176.870 0.242 0.000 1.085 444 L CA 1.231 56.129 54.840 0.097 0.000 0.755 444 L CB -0.256 41.852 42.059 0.081 0.000 0.904 444 L HN 0.322 nan 8.230 nan 0.000 0.435 445 W N 0.674 121.998 121.300 0.040 0.000 2.335 445 W HA -0.217 4.443 4.660 -0.000 0.000 0.311 445 W C 2.912 179.479 176.519 0.080 0.000 1.213 445 W CA 1.933 59.308 57.345 0.049 0.000 1.274 445 W CB -1.306 28.173 29.460 0.032 0.000 1.148 445 W HN 0.121 nan 8.180 nan 0.000 0.498 446 K N 0.371 120.944 120.400 0.289 0.000 2.057 446 K HA -0.127 4.193 4.320 -0.000 0.000 0.207 446 K C 1.906 178.622 176.600 0.192 0.000 1.049 446 K CA 1.753 58.177 56.287 0.229 0.000 0.931 446 K CB -1.206 31.390 32.500 0.160 0.000 0.714 446 K HN 0.203 nan 8.250 nan 0.000 0.440 447 L N 0.856 122.164 121.223 0.141 0.000 2.027 447 L HA -0.106 4.234 4.340 -0.000 0.000 0.206 447 L C 2.669 179.585 176.870 0.076 0.000 1.074 447 L CA 2.193 57.081 54.840 0.080 0.000 0.745 447 L CB -0.524 41.562 42.059 0.045 0.000 0.898 447 L HN 0.557 nan 8.230 nan 0.000 0.433 448 Q N -1.387 118.485 119.800 0.120 0.000 2.112 448 Q HA -0.314 4.026 4.340 -0.000 0.000 0.206 448 Q C 2.255 178.335 176.000 0.132 0.000 0.987 448 Q CA 2.111 57.982 55.803 0.113 0.000 0.858 448 Q CB -0.261 28.558 28.738 0.134 0.000 0.905 448 Q HN 0.672 nan 8.270 nan 0.000 0.420 449 H N 0.092 119.208 119.070 0.075 0.000 2.457 449 H HA -0.031 4.525 4.556 -0.000 0.000 0.294 449 H C 1.394 176.771 175.328 0.082 0.000 1.064 449 H CA 1.592 57.681 56.048 0.069 0.000 1.330 449 H CB 0.288 30.096 29.762 0.077 0.000 1.395 449 H HN 0.291 nan 8.280 nan 0.000 0.541 450 E N -0.242 119.941 120.200 -0.027 0.000 2.107 450 E HA -0.072 4.278 4.350 -0.000 0.000 0.191 450 E C 2.229 178.826 176.600 -0.005 0.000 0.982 450 E CA 0.940 57.322 56.400 -0.030 0.000 0.809 450 E CB 0.130 29.871 29.700 0.068 0.000 0.756 450 E HN 0.498 nan 8.360 nan 0.000 0.459 451 I N 2.036 122.598 120.570 -0.013 0.000 2.179 451 I HA -0.282 3.888 4.170 -0.000 0.000 0.242 451 I C 2.719 178.859 176.117 0.038 0.000 1.088 451 I CA 1.438 62.739 61.300 0.003 0.000 1.357 451 I CB -0.687 37.300 38.000 -0.023 0.000 1.051 451 I HN 0.241 nan 8.210 nan 0.000 0.409 452 E N 1.296 121.506 120.200 0.017 0.000 2.204 452 E HA -0.233 4.117 4.350 -0.000 0.000 0.194 452 E C 2.132 178.729 176.600 -0.005 0.000 0.989 452 E CA 1.173 57.586 56.400 0.022 0.000 0.824 452 E CB -0.228 29.506 29.700 0.056 0.000 0.756 452 E HN 0.504 nan 8.360 nan 0.000 0.477 453 M N -0.209 119.348 119.600 -0.071 0.000 2.288 453 M HA -0.067 4.413 4.480 -0.000 0.000 0.266 453 M C 2.050 178.375 176.300 0.041 0.000 1.072 453 M CA 1.141 56.404 55.300 -0.060 0.000 1.132 453 M CB -0.200 32.301 32.600 -0.166 0.000 1.386 453 M HN 0.178 nan 8.290 nan 0.000 0.432 454 Y N 0.418 120.702 120.300 -0.027 0.000 2.337 454 Y HA -0.068 4.482 4.550 -0.000 0.000 0.293 454 Y C 2.501 178.396 175.900 -0.008 0.000 1.123 454 Y CA 1.268 59.369 58.100 0.001 0.000 1.201 454 Y CB -0.037 38.423 38.460 -0.001 0.000 1.011 454 Y HN 0.023 nan 8.280 nan 0.000 0.545 455 R N 0.027 120.515 120.500 -0.021 0.000 2.080 455 R HA -0.209 4.131 4.340 -0.000 0.000 0.236 455 R C 2.118 178.405 176.300 -0.023 0.000 1.137 455 R CA 1.944 58.019 56.100 -0.040 0.000 0.943 455 R CB -0.194 30.129 30.300 0.039 0.000 0.846 455 R HN 0.358 nan 8.270 nan 0.000 0.431 456 Q N -0.073 119.722 119.800 -0.008 0.000 2.084 456 Q HA -0.126 4.214 4.340 -0.000 0.000 0.202 456 Q C 2.078 178.071 176.000 -0.012 0.000 0.978 456 Q CA 1.995 57.800 55.803 0.004 0.000 0.844 456 Q CB -0.546 28.200 28.738 0.013 0.000 0.898 456 Q HN 0.328 nan 8.270 nan 0.000 0.426 457 S N -0.639 115.024 115.700 -0.061 0.000 2.383 457 S HA -0.073 4.397 4.470 -0.000 0.000 0.227 457 S C 1.992 176.539 174.600 -0.088 0.000 1.026 457 S CA 1.171 59.327 58.200 -0.074 0.000 0.981 457 S CB -0.095 63.060 63.200 -0.074 0.000 0.818 457 S HN 0.147 nan 8.310 nan 0.000 0.472 458 V N 1.448 121.248 119.914 -0.190 0.000 2.488 458 V HA 0.041 4.161 4.120 -0.000 0.000 0.246 458 V C 2.357 178.610 176.094 0.264 0.000 1.046 458 V CA 1.400 63.678 62.300 -0.036 0.000 1.053 458 V CB -0.581 31.077 31.823 -0.275 0.000 0.679 458 V HN 0.485 nan 8.190 nan 0.000 0.458 459 I N 0.788 121.469 120.570 0.186 0.000 2.194 459 I HA -0.321 3.849 4.170 -0.000 0.000 0.246 459 I C 2.651 178.861 176.117 0.155 0.000 1.093 459 I CA 1.772 63.144 61.300 0.120 0.000 1.355 459 I CB -0.543 37.466 38.000 0.014 0.000 1.046 459 I HN 0.301 nan 8.210 nan 0.000 0.413 460 A N -0.358 122.534 122.820 0.119 0.000 1.908 460 A HA -0.277 4.043 4.320 -0.000 0.000 0.218 460 A C 2.289 179.978 177.584 0.174 0.000 1.181 460 A CA 1.711 53.815 52.037 0.112 0.000 0.627 460 A CB -0.589 18.450 19.000 0.066 0.000 0.818 460 A HN 0.491 nan 8.150 nan 0.000 0.445 461 Q N -1.809 118.139 119.800 0.245 0.000 2.046 461 Q HA -0.170 4.170 4.340 -0.000 0.000 0.200 461 Q C 2.061 178.358 176.000 0.494 0.000 0.975 461 Q CA 1.256 57.267 55.803 0.347 0.000 0.836 461 Q CB -0.253 28.713 28.738 0.382 0.000 0.896 461 Q HN 0.908 nan 8.270 nan 0.000 0.428 462 W N 1.761 123.214 121.300 0.255 0.000 2.338 462 W HA -0.204 4.456 4.660 -0.000 0.000 0.304 462 W C 1.379 177.860 176.519 -0.065 0.000 1.212 462 W CA 1.315 58.616 57.345 -0.072 0.000 1.264 462 W CB 0.016 29.439 29.460 -0.062 0.000 1.142 462 W HN 0.045 nan 8.180 nan 0.000 0.512 463 K N -0.191 120.404 120.400 0.325 0.000 2.296 463 K HA -0.015 4.305 4.320 -0.000 0.000 0.200 463 K C 2.003 178.673 176.600 0.116 0.000 1.048 463 K CA 1.053 57.456 56.287 0.193 0.000 0.966 463 K CB -0.322 32.256 32.500 0.130 0.000 0.754 463 K HN 0.124 nan 8.250 nan 0.000 0.466 464 A N 0.326 123.223 122.820 0.127 0.000 2.021 464 A HA 0.022 4.342 4.320 -0.000 0.000 0.216 464 A C 1.906 179.533 177.584 0.072 0.000 1.163 464 A CA 0.671 52.763 52.037 0.092 0.000 0.676 464 A CB -0.048 19.013 19.000 0.101 0.000 0.818 464 A HN 0.134 nan 8.150 nan 0.000 0.453 465 M N -1.329 118.315 119.600 0.073 0.000 2.495 465 M HA 0.217 4.696 4.480 -0.000 0.000 0.237 465 M C 0.530 176.783 176.300 -0.080 0.000 1.131 465 M CA 0.276 55.584 55.300 0.014 0.000 1.032 465 M CB -0.216 32.422 32.600 0.063 0.000 1.513 465 M HN 0.533 nan 8.290 nan 0.000 0.488 466 N N 0.073 118.738 118.700 -0.057 0.000 2.741 466 N HA -0.162 4.578 4.740 -0.000 0.000 0.250 466 N C -1.041 174.390 175.510 -0.131 0.000 1.115 466 N CA 0.117 53.138 53.050 -0.048 0.000 0.724 466 N CB -1.019 37.454 38.487 -0.023 0.000 1.090 466 N HN 0.330 nan 8.380 nan 0.000 0.558 467 L N -0.891 120.128 121.223 -0.341 0.000 2.464 467 L HA 0.222 4.562 4.340 -0.000 0.000 0.264 467 L C 1.285 178.015 176.870 -0.233 0.000 1.199 467 L CA -0.225 54.307 54.840 -0.514 0.000 0.818 467 L CB 0.410 41.800 42.059 -1.114 0.000 1.102 467 L HN 0.079 nan 8.230 nan 0.000 0.473 468 D N -0.140 120.151 120.400 -0.181 0.000 2.388 468 D HA 0.200 4.840 4.640 -0.000 0.000 0.208 468 D C -0.076 176.279 176.300 0.092 0.000 1.035 468 D CA 0.769 54.779 54.000 0.016 0.000 0.875 468 D CB 1.528 42.291 40.800 -0.061 0.000 0.984 468 D HN 0.218 nan 8.370 nan 0.000 0.508 469 V N 0.715 120.514 119.914 -0.193 0.000 3.236 469 V HA 0.337 4.457 4.120 -0.000 0.000 0.287 469 V C -2.056 173.715 176.094 -0.538 0.000 1.491 469 V CA -0.895 61.238 62.300 -0.278 0.000 1.037 469 V CB 3.134 34.596 31.823 -0.602 0.000 1.160 469 V HN -0.024 nan 8.190 nan 0.000 0.453 470 L N 4.465 125.513 121.223 -0.292 0.000 2.436 470 L HA 0.814 5.154 4.340 -0.000 0.000 0.268 470 L C -1.600 175.302 176.870 0.053 0.000 0.974 470 L CA -0.264 54.464 54.840 -0.187 0.000 0.826 470 L CB 1.725 43.723 42.059 -0.101 0.000 1.291 470 L HN 0.677 nan 8.230 nan 0.000 0.406 471 L N 4.302 125.577 121.223 0.088 0.000 2.313 471 L HA 0.838 5.178 4.340 -0.000 0.000 0.283 471 L C -0.719 176.124 176.870 -0.045 0.000 1.013 471 L CA 0.513 55.438 54.840 0.142 0.000 0.816 471 L CB 1.870 44.068 42.059 0.231 0.000 1.236 471 L HN 0.756 nan 8.230 nan 0.000 0.419 472 T N 5.432 119.906 114.554 -0.133 0.000 2.909 472 T HA 0.543 4.893 4.350 -0.000 0.000 0.299 472 T C -2.775 171.778 174.700 -0.244 0.000 1.073 472 T CA -1.015 60.870 62.100 -0.358 0.000 0.999 472 T CB 2.188 70.942 68.868 -0.191 0.000 1.098 472 T HN 0.346 nan 8.240 nan 0.000 0.477 473 P HA 0.444 nan 4.420 nan 0.000 0.272 473 P C -0.984 176.078 177.300 -0.397 0.000 1.230 473 P CA -0.623 62.267 63.100 -0.349 0.000 0.788 473 P CB 0.461 31.875 31.700 -0.475 0.000 0.949 474 M N 2.582 122.006 119.600 -0.293 0.000 2.326 474 M HA 0.325 4.805 4.480 -0.000 0.000 0.306 474 M C -1.204 175.026 176.300 -0.116 0.000 1.054 474 M CA -1.215 53.972 55.300 -0.188 0.000 0.922 474 M CB 1.058 33.590 32.600 -0.114 0.000 1.632 474 M HN 0.138 nan 8.290 nan 0.000 0.436 475 L N 4.258 125.485 121.223 0.008 0.000 2.573 475 L HA 0.166 4.506 4.340 -0.000 0.000 0.290 475 L C 0.721 177.761 176.870 0.283 0.000 1.247 475 L CA 1.351 56.314 54.840 0.205 0.000 0.876 475 L CB 0.079 42.389 42.059 0.418 0.000 1.123 475 L HN 1.001 nan 8.230 nan 0.000 0.505 476 G N 5.513 114.441 108.800 0.214 0.000 2.597 476 G HA2 0.126 4.086 3.960 -0.000 0.000 0.194 476 G HA3 0.126 4.086 3.960 -0.000 0.000 0.194 476 G C -2.431 172.502 174.900 0.055 0.000 1.625 476 G CA -0.377 44.773 45.100 0.084 0.000 1.050 476 G HN 0.599 nan 8.290 nan 0.000 0.531 477 P HA 0.342 nan 4.420 nan 0.000 0.272 477 P C -0.136 176.899 177.300 -0.441 0.000 1.230 477 P CA -0.073 62.917 63.100 -0.183 0.000 0.788 477 P CB 0.395 31.990 31.700 -0.175 0.000 0.949 478 A N 2.112 124.537 122.820 -0.659 0.000 2.591 478 A HA 0.020 4.340 4.320 -0.000 0.000 0.244 478 A C 0.063 177.240 177.584 -0.679 0.000 1.031 478 A CA 0.374 51.754 52.037 -1.096 0.000 0.767 478 A CB -1.049 17.618 19.000 -0.555 0.000 0.942 478 A HN 0.449 nan 8.150 nan 0.000 0.514 479 L N 2.645 123.437 121.223 -0.717 0.000 2.439 479 L HA 0.234 4.574 4.340 -0.000 0.000 0.261 479 L C 0.842 177.567 176.870 -0.240 0.000 1.153 479 L CA 0.031 54.670 54.840 -0.335 0.000 0.808 479 L CB 0.406 42.337 42.059 -0.214 0.000 1.126 479 L HN 0.689 nan 8.230 nan 0.000 0.460 480 D N 0.084 120.386 120.400 -0.164 0.000 2.325 480 D HA -0.057 4.583 4.640 -0.000 0.000 0.237 480 D C 0.958 177.191 176.300 -0.112 0.000 1.328 480 D CA -0.206 53.724 54.000 -0.117 0.000 0.918 480 D CB 0.520 41.267 40.800 -0.088 0.000 1.156 480 D HN 0.243 nan 8.370 nan 0.000 0.485 481 L N 0.695 121.869 121.223 -0.081 0.000 2.131 481 L HA 0.004 4.344 4.340 -0.000 0.000 0.206 481 L C 0.830 177.654 176.870 -0.076 0.000 1.087 481 L CA 1.507 56.306 54.840 -0.068 0.000 0.767 481 L CB -0.438 41.594 42.059 -0.044 0.000 0.917 481 L HN 0.260 nan 8.230 nan 0.000 0.441 482 N N -0.865 117.791 118.700 -0.074 0.000 2.761 482 N HA 0.159 4.899 4.740 -0.000 0.000 0.317 482 N C 0.678 176.132 175.510 -0.094 0.000 1.546 482 N CA 0.721 53.726 53.050 -0.075 0.000 1.015 482 N CB 0.568 39.027 38.487 -0.046 0.000 1.343 482 N HN 0.385 nan 8.380 nan 0.000 0.504 483 T N -4.427 110.041 114.554 -0.144 0.000 2.980 483 T HA 0.208 4.558 4.350 -0.000 0.000 0.252 483 T C -1.261 173.288 174.700 -0.251 0.000 0.962 483 T CA -0.013 61.996 62.100 -0.151 0.000 0.932 483 T CB -0.201 68.597 68.868 -0.115 0.000 1.188 483 T HN -0.127 nan 8.240 nan 0.000 0.500 484 P HA -0.041 nan 4.420 nan 0.000 0.216 484 P C 1.940 178.934 177.300 -0.510 0.000 1.154 484 P CA 1.817 64.336 63.100 -0.968 0.000 0.865 484 P CB -0.677 30.062 31.700 -1.601 0.000 0.789 485 G N -0.376 108.249 108.800 -0.292 0.000 2.450 485 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.220 485 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.220 485 G C 1.419 176.294 174.900 -0.040 0.000 1.130 485 G CA 0.446 45.482 45.100 -0.107 0.000 0.760 485 G HN 0.303 nan 8.290 nan 0.000 0.557 486 R N 0.026 120.497 120.500 -0.048 0.000 2.388 486 R HA 0.414 4.754 4.340 -0.000 0.000 0.247 486 R C 0.890 177.218 176.300 0.047 0.000 0.931 486 R CA 0.386 56.512 56.100 0.044 0.000 1.082 486 R CB 0.495 30.822 30.300 0.044 0.000 1.135 486 R HN 0.268 nan 8.270 nan 0.000 0.525 487 A N -0.246 122.498 122.820 -0.126 0.000 2.585 487 A HA 0.156 4.476 4.320 -0.000 0.000 0.281 487 A C 0.980 178.286 177.584 -0.464 0.000 0.945 487 A CA -0.399 51.505 52.037 -0.222 0.000 1.031 487 A CB 0.146 19.154 19.000 0.014 0.000 1.221 487 A HN 0.038 nan 8.150 nan 0.000 0.496 488 T N 0.045 114.125 114.554 -0.790 0.000 2.718 488 T HA -0.236 4.114 4.350 -0.000 0.000 0.266 488 T C 1.935 176.029 174.700 -1.009 0.000 1.033 488 T CA 2.403 63.998 62.100 -0.842 0.000 1.151 488 T CB -0.181 68.112 68.868 -0.959 0.000 0.853 488 T HN 0.720 nan 8.240 nan 0.000 0.466 489 G N 0.395 108.255 108.800 -1.566 0.000 2.509 489 G HA2 0.090 4.050 3.960 -0.000 0.000 0.218 489 G HA3 0.090 4.050 3.960 -0.000 0.000 0.218 489 G C 1.611 176.403 174.900 -0.179 0.000 1.124 489 G CA 0.689 45.375 45.100 -0.691 0.000 0.776 489 G HN 0.620 nan 8.290 nan 0.000 0.547 490 A N 1.151 123.878 122.820 -0.155 0.000 2.119 490 A HA 0.127 4.447 4.320 -0.000 0.000 0.217 490 A C 2.187 179.767 177.584 -0.007 0.000 1.153 490 A CA 0.973 53.030 52.037 0.034 0.000 0.692 490 A CB -0.359 18.724 19.000 0.138 0.000 0.799 490 A HN 0.777 nan 8.150 nan 0.000 0.458 491 I N -1.287 119.184 120.570 -0.165 0.000 3.444 491 I HA -0.065 4.105 4.170 -0.000 0.000 0.287 491 I C 1.947 178.022 176.117 -0.070 0.000 1.302 491 I CA 1.122 62.389 61.300 -0.055 0.000 1.368 491 I CB -0.464 37.453 38.000 -0.139 0.000 1.048 491 I HN 0.245 nan 8.210 nan 0.000 0.487 492 S N 1.533 117.170 115.700 -0.104 0.000 2.372 492 S HA -0.312 4.158 4.470 -0.000 0.000 0.227 492 S C 1.916 176.383 174.600 -0.222 0.000 1.044 492 S CA 1.538 59.602 58.200 -0.225 0.000 1.050 492 S CB -1.201 61.862 63.200 -0.229 0.000 0.901 492 S HN 0.641 nan 8.310 nan 0.000 0.447 493 Y N 3.029 123.344 120.300 0.026 0.000 2.333 493 Y HA -0.036 4.514 4.550 -0.000 0.000 0.290 493 Y C 3.143 179.074 175.900 0.051 0.000 1.144 493 Y CA 1.422 59.572 58.100 0.083 0.000 1.228 493 Y CB -0.760 37.763 38.460 0.106 0.000 0.985 493 Y HN 0.672 nan 8.280 nan 0.000 0.542 494 T N -5.259 109.324 114.554 0.049 0.000 3.018 494 T HA 0.032 4.382 4.350 -0.000 0.000 0.246 494 T C 1.827 176.488 174.700 -0.066 0.000 1.026 494 T CA 0.636 62.708 62.100 -0.047 0.000 1.081 494 T CB -0.721 67.909 68.868 -0.396 0.000 0.970 494 T HN 0.085 nan 8.240 nan 0.000 0.475 495 V N 1.524 121.361 119.914 -0.128 0.000 2.809 495 V HA 0.100 4.220 4.120 -0.000 0.000 0.256 495 V C 2.263 178.224 176.094 -0.223 0.000 1.080 495 V CA 0.984 63.190 62.300 -0.157 0.000 1.102 495 V CB -0.444 31.280 31.823 -0.165 0.000 0.705 495 V HN 0.476 nan 8.190 nan 0.000 0.475 496 L N -0.327 120.701 121.223 -0.324 0.000 2.187 496 L HA -0.152 4.188 4.340 -0.000 0.000 0.213 496 L C 1.825 178.330 176.870 -0.608 0.000 1.100 496 L CA 2.183 56.718 54.840 -0.510 0.000 0.765 496 L CB -0.558 41.110 42.059 -0.651 0.000 0.904 496 L HN 0.499 nan 8.230 nan 0.000 0.437 497 Y N -1.527 118.715 120.300 -0.096 0.000 2.462 497 Y HA 0.164 4.713 4.550 -0.000 0.000 0.261 497 Y C 2.201 178.044 175.900 -0.095 0.000 1.146 497 Y CA 0.052 58.089 58.100 -0.105 0.000 1.283 497 Y CB -0.556 37.905 38.460 0.001 0.000 1.090 497 Y HN 0.260 nan 8.280 nan 0.000 0.526 498 N N -0.781 117.907 118.700 -0.021 0.000 2.250 498 N HA -0.167 4.573 4.740 -0.000 0.000 0.181 498 N C 1.893 177.350 175.510 -0.090 0.000 1.017 498 N CA 1.316 54.336 53.050 -0.051 0.000 0.866 498 N CB -0.540 37.906 38.487 -0.068 0.000 0.985 498 N HN 0.355 nan 8.380 nan 0.000 0.429 499 C N 1.352 120.567 119.300 -0.143 0.000 2.425 499 C HA 0.061 4.521 4.460 -0.000 0.000 0.277 499 C C 2.591 177.506 174.990 -0.126 0.000 1.280 499 C CA 0.336 59.263 59.018 -0.152 0.000 1.744 499 C CB -1.168 26.444 27.740 -0.212 0.000 1.989 499 C HN 0.337 nan 8.230 nan 0.000 0.491 500 L N -0.014 121.087 121.223 -0.204 0.000 2.341 500 L HA 0.076 4.416 4.340 -0.000 0.000 0.214 500 L C 0.858 177.657 176.870 -0.118 0.000 1.115 500 L CA 1.221 55.862 54.840 -0.333 0.000 0.820 500 L CB -0.460 41.042 42.059 -0.928 0.000 0.944 500 L HN 0.327 nan 8.230 nan 0.000 0.452 501 D N 0.117 120.500 120.400 -0.029 0.000 2.737 501 D HA -0.252 4.387 4.640 -0.000 0.000 0.238 501 D C -0.550 175.881 176.300 0.218 0.000 1.157 501 D CA 0.604 54.626 54.000 0.037 0.000 0.694 501 D CB -1.152 39.622 40.800 -0.042 0.000 1.021 501 D HN 0.138 nan 8.370 nan 0.000 0.420 502 F N 0.173 120.089 119.950 -0.056 0.000 2.450 502 F HA 0.441 4.968 4.527 -0.000 0.000 0.332 502 F C -1.463 174.285 175.800 -0.087 0.000 1.093 502 F CA -2.543 55.399 58.000 -0.096 0.000 1.003 502 F CB 1.937 40.942 39.000 0.008 0.000 1.151 502 F HN -0.124 nan 8.300 nan 0.000 0.474 503 P HA 0.099 nan 4.420 nan 0.000 0.267 503 P C -1.277 176.034 177.300 0.019 0.000 1.205 503 P CA 0.111 63.214 63.100 0.005 0.000 0.765 503 P CB 0.922 32.605 31.700 -0.028 0.000 0.828 504 A N 3.110 125.937 122.820 0.012 0.000 2.437 504 A HA 0.723 5.043 4.320 -0.000 0.000 0.293 504 A C -0.225 177.349 177.584 -0.018 0.000 1.038 504 A CA -0.450 51.572 52.037 -0.027 0.000 0.708 504 A CB 1.571 20.539 19.000 -0.052 0.000 1.251 504 A HN 0.561 nan 8.150 nan 0.000 0.409 505 G N -0.158 108.631 108.800 -0.018 0.000 2.569 505 G HA2 0.627 4.587 3.960 -0.000 0.000 0.300 505 G HA3 0.627 4.587 3.960 -0.000 0.000 0.300 505 G C -1.504 173.367 174.900 -0.048 0.000 1.269 505 G CA -0.678 44.410 45.100 -0.021 0.000 0.959 505 G HN 0.994 nan 8.290 nan 0.000 0.478 506 V N 0.313 120.195 119.914 -0.053 0.000 2.487 506 V HA 0.617 4.737 4.120 -0.000 0.000 0.298 506 V C -0.565 175.495 176.094 -0.057 0.000 1.028 506 V CA -0.768 61.492 62.300 -0.068 0.000 0.860 506 V CB 1.549 33.322 31.823 -0.083 0.000 0.991 506 V HN 0.697 nan 8.190 nan 0.000 0.427 507 V N 7.982 127.851 119.914 -0.075 0.000 2.487 507 V HA 0.706 4.825 4.120 -0.000 0.000 0.298 507 V C -2.437 173.618 176.094 -0.066 0.000 1.028 507 V CA -2.324 59.935 62.300 -0.069 0.000 0.860 507 V CB 2.619 34.382 31.823 -0.101 0.000 0.991 507 V HN 0.771 nan 8.190 nan 0.000 0.427 508 P HA 0.162 nan 4.420 nan 0.000 0.268 508 P C 0.336 177.605 177.300 -0.053 0.000 1.204 508 P CA 0.330 63.401 63.100 -0.047 0.000 0.768 508 P CB 1.354 33.038 31.700 -0.028 0.000 0.842 509 V N -0.576 119.301 119.914 -0.062 0.000 3.426 509 V HA 0.334 4.454 4.120 -0.000 0.000 0.271 509 V C 0.530 176.594 176.094 -0.050 0.000 1.530 509 V CA 0.573 62.838 62.300 -0.059 0.000 1.021 509 V CB 0.388 32.168 31.823 -0.072 0.000 0.824 509 V HN 0.648 nan 8.190 nan 0.000 0.432 510 T N 0.763 115.281 114.554 -0.060 0.000 2.718 510 T HA 0.583 4.933 4.350 -0.000 0.000 0.306 510 T C -0.795 173.852 174.700 -0.089 0.000 1.485 510 T CA 0.577 62.642 62.100 -0.057 0.000 0.997 510 T CB 1.773 70.612 68.868 -0.047 0.000 1.504 510 T HN 0.795 nan 8.240 nan 0.000 0.497 511 T N -0.587 113.920 114.554 -0.078 0.000 2.942 511 T HA 0.712 5.062 4.350 -0.000 0.000 0.289 511 T C -0.313 174.343 174.700 -0.074 0.000 1.044 511 T CA -0.715 61.321 62.100 -0.107 0.000 1.023 511 T CB 1.213 70.033 68.868 -0.080 0.000 1.123 511 T HN 0.480 nan 8.240 nan 0.000 0.512 512 V N 3.387 123.251 119.914 -0.084 0.000 2.446 512 V HA 0.299 4.419 4.120 -0.000 0.000 0.276 512 V C 1.460 177.533 176.094 -0.035 0.000 1.030 512 V CA -0.212 62.052 62.300 -0.060 0.000 1.033 512 V CB 0.102 31.882 31.823 -0.072 0.000 0.993 512 V HN 1.205 nan 8.190 nan 0.000 0.477 513 T N 3.040 117.579 114.554 -0.024 0.000 2.868 513 T HA 0.419 4.769 4.350 -0.000 0.000 0.292 513 T C 1.357 176.051 174.700 -0.010 0.000 1.028 513 T CA -0.002 62.091 62.100 -0.012 0.000 1.059 513 T CB 1.507 70.371 68.868 -0.007 0.000 0.991 513 T HN 0.744 nan 8.240 nan 0.000 0.531 514 A N 1.054 123.872 122.820 -0.004 0.000 2.019 514 A HA 0.120 4.440 4.320 -0.000 0.000 0.219 514 A C 2.564 180.146 177.584 -0.002 0.000 1.164 514 A CA 1.909 53.944 52.037 -0.003 0.000 0.644 514 A CB -1.674 17.327 19.000 0.001 0.000 0.805 514 A HN 1.173 nan 8.150 nan 0.000 0.449 515 E N 0.212 120.412 120.200 0.000 0.000 2.150 515 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 515 E C 1.603 178.205 176.600 0.004 0.000 0.985 515 E CA 1.338 57.741 56.400 0.004 0.000 0.814 515 E CB -0.711 28.992 29.700 0.006 0.000 0.752 515 E HN 0.663 nan 8.360 nan 0.000 0.466 516 D N 0.305 120.704 120.400 -0.002 0.000 2.117 516 D HA -0.106 4.534 4.640 -0.000 0.000 0.198 516 D C 1.595 177.888 176.300 -0.011 0.000 0.982 516 D CA 1.629 55.626 54.000 -0.005 0.000 0.828 516 D CB -0.408 40.383 40.800 -0.015 0.000 0.967 516 D HN 0.503 nan 8.370 nan 0.000 0.464 517 D N -0.279 120.110 120.400 -0.018 0.000 2.234 517 D HA 0.024 4.664 4.640 -0.000 0.000 0.205 517 D C 1.913 178.205 176.300 -0.013 0.000 0.962 517 D CA 0.875 54.859 54.000 -0.026 0.000 0.855 517 D CB 0.168 40.951 40.800 -0.029 0.000 0.951 517 D HN 0.078 nan 8.370 nan 0.000 0.500 518 A N -0.083 122.735 122.820 -0.003 0.000 1.930 518 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 518 A C 2.271 179.864 177.584 0.015 0.000 1.175 518 A CA 2.014 54.054 52.037 0.005 0.000 0.627 518 A CB -1.200 17.804 19.000 0.007 0.000 0.815 518 A HN 0.333 nan 8.150 nan 0.000 0.443 519 Q N -1.521 118.291 119.800 0.019 0.000 2.436 519 Q HA 0.119 4.459 4.340 -0.000 0.000 0.209 519 Q C 1.828 177.863 176.000 0.059 0.000 0.965 519 Q CA 1.659 57.484 55.803 0.037 0.000 0.910 519 Q CB -0.862 27.898 28.738 0.038 0.000 0.980 519 Q HN 0.606 nan 8.270 nan 0.000 0.491 520 M N 1.049 120.670 119.600 0.035 0.000 2.267 520 M HA -0.049 4.431 4.480 -0.000 0.000 0.263 520 M C 2.144 178.485 176.300 0.068 0.000 1.063 520 M CA 1.807 57.124 55.300 0.030 0.000 1.090 520 M CB -0.405 32.169 32.600 -0.044 0.000 1.392 520 M HN 0.649 nan 8.290 nan 0.000 0.422 521 E N -0.841 119.389 120.200 0.050 0.000 2.418 521 E HA 0.235 4.585 4.350 -0.000 0.000 0.197 521 E C 1.642 178.280 176.600 0.063 0.000 1.026 521 E CA 1.234 57.664 56.400 0.050 0.000 0.862 521 E CB -1.244 28.474 29.700 0.029 0.000 0.799 521 E HN 0.623 nan 8.360 nan 0.000 0.518 522 L N -1.286 119.982 121.223 0.075 0.000 2.808 522 L HA 0.579 4.919 4.340 -0.000 0.000 0.246 522 L C 1.087 178.006 176.870 0.082 0.000 1.153 522 L CA -0.251 54.627 54.840 0.063 0.000 0.956 522 L CB -1.274 40.809 42.059 0.039 0.000 1.270 522 L HN 0.501 nan 8.230 nan 0.000 0.528 523 Y N 2.540 122.834 120.300 -0.010 0.000 2.730 523 Y HA 0.437 4.987 4.550 -0.000 0.000 0.354 523 Y C 0.583 176.471 175.900 -0.021 0.000 1.139 523 Y CA 0.537 58.624 58.100 -0.021 0.000 1.516 523 Y CB -0.421 38.032 38.460 -0.012 0.000 1.204 523 Y HN 0.419 nan 8.280 nan 0.000 0.520 524 K N 4.301 124.551 120.400 -0.250 0.000 2.270 524 K HA 0.740 5.060 4.320 -0.000 0.000 0.255 524 K C 0.389 176.695 176.600 -0.491 0.000 0.936 524 K CA -0.397 55.748 56.287 -0.237 0.000 0.809 524 K CB 1.002 33.434 32.500 -0.113 0.000 1.131 524 K HN 0.911 nan 8.250 nan 0.000 0.427 525 G N -0.422 108.155 108.800 -0.371 0.000 2.570 525 G HA2 0.353 4.313 3.960 -0.000 0.000 0.276 525 G HA3 0.353 4.313 3.960 -0.000 0.000 0.276 525 G C 0.150 174.832 174.900 -0.364 0.000 1.346 525 G CA -0.005 44.849 45.100 -0.411 0.000 1.034 525 G HN 0.670 nan 8.290 nan 0.000 0.512 526 Y N -1.447 118.794 120.300 -0.098 0.000 2.561 526 Y HA 0.211 4.761 4.550 -0.000 0.000 0.291 526 Y C 1.827 177.407 175.900 -0.534 0.000 1.141 526 Y CA 0.489 58.414 58.100 -0.291 0.000 1.303 526 Y CB 0.020 38.285 38.460 -0.324 0.000 1.015 526 Y HN 0.380 nan 8.280 nan 0.000 0.547 527 F N -2.380 117.597 119.950 0.045 0.000 2.729 527 F HA 0.357 4.884 4.527 -0.000 0.000 0.304 527 F C 1.973 177.792 175.800 0.031 0.000 1.008 527 F CA 0.408 58.420 58.000 0.020 0.000 1.188 527 F CB 0.085 39.081 39.000 -0.006 0.000 0.980 527 F HN -0.121 nan 8.300 nan 0.000 0.627 528 G N 1.771 110.687 108.800 0.194 0.000 2.203 528 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.263 528 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.263 528 G C -0.206 174.820 174.900 0.210 0.000 1.012 528 G CA 0.680 45.867 45.100 0.146 0.000 0.749 528 G HN 0.464 nan 8.290 nan 0.000 0.512 529 D N -0.686 119.856 120.400 0.236 0.000 2.478 529 D HA 0.427 5.067 4.640 -0.000 0.000 0.269 529 D C 2.063 178.365 176.300 0.003 0.000 1.232 529 D CA -0.465 53.628 54.000 0.155 0.000 1.059 529 D CB 0.117 40.962 40.800 0.075 0.000 1.104 529 D HN 0.407 nan 8.370 nan 0.000 0.566 530 I N -1.341 119.111 120.570 -0.198 0.000 2.361 530 I HA -0.173 3.997 4.170 -0.000 0.000 0.251 530 I C 0.842 177.007 176.117 0.081 0.000 1.133 530 I CA 1.168 62.395 61.300 -0.123 0.000 1.413 530 I CB -0.546 37.312 38.000 -0.236 0.000 1.073 530 I HN 0.353 nan 8.210 nan 0.000 0.424 531 W N 2.188 123.470 121.300 -0.030 0.000 2.381 531 W HA -0.120 4.540 4.660 -0.000 0.000 0.301 531 W C 2.417 178.973 176.519 0.062 0.000 1.205 531 W CA 1.014 58.356 57.345 -0.005 0.000 1.285 531 W CB -1.375 28.059 29.460 -0.044 0.000 1.133 531 W HN 0.276 nan 8.180 nan 0.000 0.521 532 D N -0.033 120.564 120.400 0.328 0.000 2.144 532 D HA -0.159 4.481 4.640 -0.000 0.000 0.199 532 D C 2.134 178.581 176.300 0.245 0.000 0.984 532 D CA 1.305 55.478 54.000 0.287 0.000 0.834 532 D CB -0.363 40.570 40.800 0.222 0.000 0.955 532 D HN 0.047 nan 8.370 nan 0.000 0.465 533 I N 0.497 121.172 120.570 0.174 0.000 2.286 533 I HA -0.154 4.016 4.170 -0.000 0.000 0.245 533 I C 2.447 178.628 176.117 0.107 0.000 1.104 533 I CA 0.593 61.968 61.300 0.126 0.000 1.397 533 I CB -0.801 37.247 38.000 0.080 0.000 1.072 533 I HN -0.023 nan 8.210 nan 0.000 0.417 534 I N 0.233 120.872 120.570 0.115 0.000 2.286 534 I HA -0.273 3.897 4.170 -0.000 0.000 0.248 534 I C 2.408 178.562 176.117 0.062 0.000 1.115 534 I CA 0.959 62.309 61.300 0.082 0.000 1.392 534 I CB -0.322 37.733 38.000 0.093 0.000 1.065 534 I HN 0.122 nan 8.210 nan 0.000 0.418 535 L N 0.657 121.943 121.223 0.105 0.000 2.046 535 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 535 L C 2.402 179.234 176.870 -0.063 0.000 1.077 535 L CA 1.799 56.674 54.840 0.058 0.000 0.747 535 L CB -0.946 41.209 42.059 0.160 0.000 0.896 535 L HN 0.180 nan 8.230 nan 0.000 0.432 536 K N -0.365 120.045 120.400 0.018 0.000 2.074 536 K HA -0.258 4.062 4.320 -0.000 0.000 0.209 536 K C 2.203 178.773 176.600 -0.051 0.000 1.048 536 K CA 2.271 58.545 56.287 -0.022 0.000 0.926 536 K CB 0.033 32.633 32.500 0.166 0.000 0.713 536 K HN 0.346 nan 8.250 nan 0.000 0.444 537 K N 0.178 120.569 120.400 -0.015 0.000 2.031 537 K HA 0.046 4.366 4.320 -0.000 0.000 0.205 537 K C 2.065 178.632 176.600 -0.055 0.000 1.049 537 K CA 1.372 57.644 56.287 -0.025 0.000 0.939 537 K CB -1.015 31.482 32.500 -0.005 0.000 0.717 537 K HN 0.376 nan 8.250 nan 0.000 0.438 538 A N 0.369 123.151 122.820 -0.063 0.000 2.014 538 A HA 0.106 4.426 4.320 -0.000 0.000 0.218 538 A C 2.328 179.838 177.584 -0.123 0.000 1.163 538 A CA 1.558 53.543 52.037 -0.087 0.000 0.652 538 A CB -0.249 18.702 19.000 -0.082 0.000 0.808 538 A HN 0.504 nan 8.150 nan 0.000 0.449 539 M N -0.327 119.188 119.600 -0.141 0.000 2.556 539 M HA 0.064 4.544 4.480 -0.000 0.000 0.245 539 M C 1.297 177.507 176.300 -0.150 0.000 1.128 539 M CA 0.603 55.800 55.300 -0.171 0.000 1.069 539 M CB -0.318 32.153 32.600 -0.215 0.000 1.469 539 M HN 0.402 nan 8.290 nan 0.000 0.494 540 K N 0.884 121.213 120.400 -0.119 0.000 2.118 540 K HA 0.179 4.499 4.320 -0.000 0.000 0.240 540 K C 0.720 177.275 176.600 -0.075 0.000 1.035 540 K CA -0.286 55.949 56.287 -0.087 0.000 0.899 540 K CB -0.140 32.323 32.500 -0.062 0.000 1.085 540 K HN 0.407 nan 8.250 nan 0.000 0.498 541 N N -0.493 118.175 118.700 -0.054 0.000 2.754 541 N HA -0.149 4.591 4.740 -0.000 0.000 0.248 541 N C -0.528 174.955 175.510 -0.045 0.000 1.093 541 N CA 1.230 54.255 53.050 -0.042 0.000 0.699 541 N CB -1.447 37.018 38.487 -0.037 0.000 1.016 541 N HN 0.850 nan 8.380 nan 0.000 0.552 542 S N -2.149 113.520 115.700 -0.053 0.000 2.740 542 S HA 0.267 4.737 4.470 -0.000 0.000 0.244 542 S C 0.212 174.783 174.600 -0.048 0.000 1.101 542 S CA -0.580 57.583 58.200 -0.061 0.000 1.123 542 S CB 0.609 63.746 63.200 -0.105 0.000 1.012 542 S HN 0.113 nan 8.310 nan 0.000 0.491 543 V N 1.940 121.840 119.914 -0.024 0.000 2.493 543 V HA 0.499 4.618 4.120 -0.000 0.000 0.292 543 V C 1.511 177.608 176.094 0.005 0.000 1.016 543 V CA 0.739 63.032 62.300 -0.012 0.000 1.097 543 V CB -0.551 31.271 31.823 -0.001 0.000 0.947 543 V HN 0.972 nan 8.190 nan 0.000 0.479 544 G N 4.040 112.835 108.800 -0.008 0.000 2.147 544 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.244 544 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.244 544 G C -0.157 174.724 174.900 -0.032 0.000 1.005 544 G CA -0.192 44.915 45.100 0.013 0.000 0.713 544 G HN 0.526 nan 8.290 nan 0.000 0.515 545 L N 1.207 122.356 121.223 -0.124 0.000 2.307 545 L HA 0.421 4.761 4.340 -0.000 0.000 0.282 545 L C -1.633 175.001 176.870 -0.393 0.000 1.051 545 L CA -1.762 52.906 54.840 -0.287 0.000 0.804 545 L CB 1.327 43.270 42.059 -0.192 0.000 1.197 545 L HN -0.034 nan 8.230 nan 0.000 0.431 546 P HA 0.121 nan 4.420 nan 0.000 0.271 546 P C -0.732 176.423 177.300 -0.242 0.000 1.216 546 P CA -0.111 62.698 63.100 -0.485 0.000 0.771 546 P CB 1.146 32.448 31.700 -0.663 0.000 0.864 547 V N 2.198 122.019 119.914 -0.156 0.000 2.769 547 V HA 0.820 4.940 4.120 -0.000 0.000 0.312 547 V C 0.394 176.448 176.094 -0.067 0.000 1.058 547 V CA -0.817 61.435 62.300 -0.080 0.000 0.952 547 V CB 1.569 33.349 31.823 -0.071 0.000 1.019 547 V HN 0.804 nan 8.190 nan 0.000 0.445 548 A N 2.275 125.070 122.820 -0.043 0.000 2.485 548 A HA 0.942 5.262 4.320 -0.000 0.000 0.292 548 A C -1.182 176.357 177.584 -0.074 0.000 1.147 548 A CA -0.690 51.314 52.037 -0.055 0.000 0.750 548 A CB 2.126 21.101 19.000 -0.041 0.000 1.331 548 A HN 0.787 nan 8.150 nan 0.000 0.419 549 V N -0.129 119.732 119.914 -0.089 0.000 2.960 549 V HA 0.630 4.750 4.120 -0.000 0.000 0.315 549 V C -0.608 175.423 176.094 -0.104 0.000 1.087 549 V CA -0.501 61.737 62.300 -0.104 0.000 0.982 549 V CB 1.929 33.687 31.823 -0.109 0.000 1.039 549 V HN 0.985 nan 8.190 nan 0.000 0.437 550 Q N 2.573 122.315 119.800 -0.098 0.000 2.333 550 Q HA 0.508 4.848 4.340 -0.000 0.000 0.267 550 Q C -1.751 174.231 176.000 -0.030 0.000 1.012 550 Q CA -0.535 55.222 55.803 -0.076 0.000 0.824 550 Q CB 1.741 30.438 28.738 -0.069 0.000 1.290 550 Q HN 0.814 nan 8.270 nan 0.000 0.449 551 C N 3.600 122.898 119.300 -0.004 0.000 2.322 551 C HA 0.732 5.192 4.460 -0.000 0.000 0.324 551 C C -0.315 174.733 174.990 0.097 0.000 1.284 551 C CA -0.625 58.480 59.018 0.145 0.000 1.606 551 C CB 0.658 28.474 27.740 0.128 0.000 2.251 551 C HN 0.612 nan 8.230 nan 0.000 0.502 552 V N 2.654 122.637 119.914 0.115 0.000 2.769 552 V HA 0.946 5.066 4.120 -0.000 0.000 0.312 552 V C 0.278 176.485 176.094 0.188 0.000 1.061 552 V CA -0.200 62.130 62.300 0.050 0.000 0.931 552 V CB 1.676 33.425 31.823 -0.122 0.000 1.010 552 V HN 1.105 nan 8.190 nan 0.000 0.433 553 A N 2.935 125.800 122.820 0.075 0.000 2.475 553 A HA 0.884 5.204 4.320 -0.000 0.000 0.281 553 A C -0.814 176.422 177.584 -0.579 0.000 1.263 553 A CA -0.851 51.162 52.037 -0.039 0.000 0.776 553 A CB 1.016 20.004 19.000 -0.021 0.000 1.347 553 A HN 0.715 nan 8.150 nan 0.000 0.443 554 L N 0.889 121.621 121.223 -0.818 0.000 2.464 554 L HA 0.250 4.590 4.340 -0.000 0.000 0.264 554 L C -2.067 174.352 176.870 -0.752 0.000 1.199 554 L CA -1.507 52.636 54.840 -1.161 0.000 0.818 554 L CB 0.393 41.920 42.059 -0.887 0.000 1.102 554 L HN 0.384 nan 8.230 nan 0.000 0.473 555 P HA -0.104 nan 4.420 nan 0.000 0.262 555 P C -0.841 176.220 177.300 -0.399 0.000 1.182 555 P CA 0.509 63.237 63.100 -0.620 0.000 0.761 555 P CB 0.093 31.413 31.700 -0.635 0.000 0.795 556 W N 0.685 121.920 121.300 -0.107 0.000 1.828 556 W HA -0.181 4.479 4.660 -0.000 0.000 0.253 556 W C 0.673 177.142 176.519 -0.085 0.000 1.019 556 W CA -0.073 57.228 57.345 -0.074 0.000 0.447 556 W CB -2.245 27.174 29.460 -0.069 0.000 2.033 556 W HN 0.340 nan 8.180 nan 0.000 1.268 557 Q N 0.957 120.767 119.800 0.016 0.000 2.297 557 Q HA 0.103 4.443 4.340 -0.000 0.000 0.265 557 Q C 1.350 177.352 176.000 0.005 0.000 0.904 557 Q CA 0.622 56.419 55.803 -0.010 0.000 0.969 557 Q CB 0.058 28.755 28.738 -0.070 0.000 1.115 557 Q HN 0.356 nan 8.270 nan 0.000 0.433 558 E N 1.309 121.531 120.200 0.037 0.000 2.136 558 E HA -0.247 4.103 4.350 -0.000 0.000 0.202 558 E C 1.703 178.338 176.600 0.059 0.000 1.019 558 E CA 1.869 58.305 56.400 0.061 0.000 0.819 558 E CB 0.231 29.998 29.700 0.112 0.000 0.739 558 E HN 0.495 nan 8.360 nan 0.000 0.458 559 E N 0.276 120.464 120.200 -0.020 0.000 2.122 559 E HA -0.117 4.233 4.350 -0.000 0.000 0.190 559 E C 2.166 178.832 176.600 0.111 0.000 0.977 559 E CA 0.504 56.870 56.400 -0.057 0.000 0.820 559 E CB -0.559 28.869 29.700 -0.454 0.000 0.770 559 E HN 0.278 nan 8.360 nan 0.000 0.462 560 L N 1.656 122.916 121.223 0.062 0.000 2.083 560 L HA -0.089 4.251 4.340 -0.000 0.000 0.209 560 L C 2.525 179.481 176.870 0.144 0.000 1.083 560 L CA 1.533 56.427 54.840 0.091 0.000 0.752 560 L CB -0.880 41.203 42.059 0.039 0.000 0.899 560 L HN 0.343 nan 8.230 nan 0.000 0.433 561 C N -0.716 118.660 119.300 0.127 0.000 2.432 561 C HA -0.159 4.301 4.460 -0.000 0.000 0.277 561 C C 2.745 177.859 174.990 0.207 0.000 1.249 561 C CA 1.091 60.208 59.018 0.164 0.000 1.725 561 C CB -1.091 26.711 27.740 0.102 0.000 2.028 561 C HN 0.619 nan 8.230 nan 0.000 0.477 562 L N 0.671 122.019 121.223 0.209 0.000 2.093 562 L HA -0.079 4.261 4.340 -0.000 0.000 0.208 562 L C 3.039 180.121 176.870 0.354 0.000 1.085 562 L CA 1.487 56.483 54.840 0.261 0.000 0.755 562 L CB -0.824 41.383 42.059 0.247 0.000 0.904 562 L HN 0.392 nan 8.230 nan 0.000 0.435 563 R N 0.451 121.168 120.500 0.362 0.000 2.081 563 R HA -0.225 4.115 4.340 -0.000 0.000 0.235 563 R C 2.346 178.750 176.300 0.173 0.000 1.131 563 R CA 1.787 58.005 56.100 0.197 0.000 0.960 563 R CB -0.673 29.702 30.300 0.125 0.000 0.856 563 R HN 0.322 nan 8.270 nan 0.000 0.436 564 F N 1.002 120.972 119.950 0.034 0.000 2.171 564 F HA -0.162 4.365 4.527 -0.000 0.000 0.300 564 F C 2.342 178.134 175.800 -0.013 0.000 1.090 564 F CA 1.346 59.335 58.000 -0.018 0.000 1.293 564 F CB 0.013 38.998 39.000 -0.025 0.000 1.013 564 F HN -0.008 nan 8.300 nan 0.000 0.486 565 M N -0.348 119.216 119.600 -0.061 0.000 2.159 565 M HA -0.199 4.280 4.480 -0.000 0.000 0.263 565 M C 2.338 178.579 176.300 -0.098 0.000 1.063 565 M CA 1.483 56.698 55.300 -0.142 0.000 1.110 565 M CB -0.475 32.122 32.600 -0.005 0.000 1.374 565 M HN 0.115 nan 8.290 nan 0.000 0.411 566 R N 0.395 120.899 120.500 0.007 0.000 2.075 566 R HA -0.199 4.141 4.340 -0.000 0.000 0.232 566 R C 2.004 178.276 176.300 -0.046 0.000 1.126 566 R CA 1.783 57.891 56.100 0.014 0.000 0.963 566 R CB -0.055 30.275 30.300 0.051 0.000 0.858 566 R HN 0.188 nan 8.270 nan 0.000 0.435 567 E N -0.138 120.020 120.200 -0.070 0.000 2.110 567 E HA -0.122 4.228 4.350 -0.000 0.000 0.193 567 E C 1.784 178.291 176.600 -0.156 0.000 0.988 567 E CA 1.389 57.744 56.400 -0.074 0.000 0.804 567 E CB 0.004 29.689 29.700 -0.025 0.000 0.745 567 E HN 0.179 nan 8.360 nan 0.000 0.458 568 V N 0.866 120.598 119.914 -0.303 0.000 2.358 568 V HA -0.189 3.931 4.120 -0.000 0.000 0.246 568 V C 2.406 178.402 176.094 -0.163 0.000 1.047 568 V CA 2.057 64.176 62.300 -0.301 0.000 1.035 568 V CB -0.557 30.978 31.823 -0.481 0.000 0.658 568 V HN 0.344 nan 8.190 nan 0.000 0.452 569 E N -0.259 119.865 120.200 -0.126 0.000 2.153 569 E HA -0.282 4.068 4.350 -0.000 0.000 0.194 569 E C 2.301 178.878 176.600 -0.037 0.000 0.988 569 E CA 1.498 57.860 56.400 -0.063 0.000 0.811 569 E CB 0.036 29.718 29.700 -0.031 0.000 0.746 569 E HN 0.658 nan 8.360 nan 0.000 0.466 570 Q N -0.168 119.610 119.800 -0.036 0.000 2.096 570 Q HA -0.057 4.283 4.340 -0.000 0.000 0.197 570 Q C 2.354 178.345 176.000 -0.014 0.000 0.964 570 Q CA 0.758 56.552 55.803 -0.015 0.000 0.838 570 Q CB 0.152 28.887 28.738 -0.006 0.000 0.906 570 Q HN 0.281 nan 8.270 nan 0.000 0.444 571 L N -0.369 120.838 121.223 -0.026 0.000 2.093 571 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 571 L C 2.047 178.903 176.870 -0.024 0.000 1.085 571 L CA 0.675 55.503 54.840 -0.020 0.000 0.755 571 L CB -0.056 41.989 42.059 -0.024 0.000 0.904 571 L HN 0.320 nan 8.230 nan 0.000 0.435 572 M N -1.593 117.985 119.600 -0.037 0.000 2.414 572 M HA 0.148 4.628 4.480 -0.000 0.000 0.251 572 M C 0.699 176.987 176.300 -0.020 0.000 1.116 572 M CA 0.449 55.728 55.300 -0.035 0.000 1.056 572 M CB -0.202 32.364 32.600 -0.056 0.000 1.388 572 M HN 0.124 nan 8.290 nan 0.000 0.487 573 T N 0.000 114.547 114.554 -0.012 0.000 3.816 573 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 573 T CA 0.000 62.102 62.100 0.003 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