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 2ha0_1_A DATA FIRST_RESID 3 DATA SEQUENCE REDPQLLVRV RGGQLRGIRL KAPGGPVSAF LGIPFAEPPV GSRRFMPPEP DATA SEQUENCE KRPWSGVLDA TTFQNVcYQY VDTLYPGFEG TEMWNPNREL SEDcLYLNVW DATA SEQUENCE TPYPRPASPT PVLIWIYGGG FYSGAASLDV YDGRFLAQVE GAVLVSMNYR DATA SEQUENCE VGTFGFLALP GSREAPGNVG LLDQRLALQW VQENIAAFGG DPMSVTLFGE DATA SEQUENCE SAGAASVGMH ILSLPSRSLF HRAVLQSGTP NGPWATVSAG EARRRATLLA DATA SEQUENCE RLVGcPXXXX XXNDTELIAc LRTRPAQDLV DHEWHVLPQE SIFRFSFVPV DATA SEQUENCE VDGDFLSDTP EALINTGDFQ DLQVLVGVVK DEGSYFLVYG VPGFSKDNES DATA SEQUENCE LISRAQFLAG VRIGVPQASD LAAEAVVLHY TDWLHPEDPT HLRDAMSAVV DATA SEQUENCE GDHNVVcPVA QLAGRLAAQG ARVYAYIFEH RASTLTWPLW MGVPHGYEIE DATA SEQUENCE FIFGLPLDPS LNYTTEERIF AQRLMKYWTN FARTGDPNDP RDSKSPQWPP DATA SEQUENCE YTTAAQQYVS LNLKPLEVRR GLRAQTcAFW NRFLPKLLSA T 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 3 R HA 0.000 nan 4.340 nan 0.000 0.208 3 R C 0.000 176.310 176.300 0.016 0.000 0.893 3 R CA 0.000 56.108 56.100 0.014 0.000 0.921 3 R CB 0.000 30.306 30.300 0.011 0.000 0.687 4 E N 0.468 120.681 120.200 0.021 0.000 2.316 4 E HA 0.265 4.618 4.350 0.004 0.000 0.258 4 E C -0.838 175.783 176.600 0.035 0.000 0.952 4 E CA -0.933 55.481 56.400 0.025 0.000 0.818 4 E CB 1.055 30.769 29.700 0.024 0.000 1.260 4 E HN -0.239 nan 8.360 nan 0.000 0.416 5 D N 1.898 122.325 120.400 0.045 0.000 2.426 5 D HA -0.004 4.638 4.640 0.004 0.000 0.261 5 D C -1.219 175.122 176.300 0.069 0.000 1.245 5 D CA -1.854 52.188 54.000 0.071 0.000 0.917 5 D CB 0.929 41.791 40.800 0.104 0.000 1.123 5 D HN 0.222 nan 8.370 nan 0.000 0.508 6 P HA -0.126 nan 4.420 nan 0.000 0.226 6 P C 0.596 177.916 177.300 0.033 0.000 1.153 6 P CA 0.876 63.998 63.100 0.035 0.000 0.777 6 P CB 0.307 32.018 31.700 0.018 0.000 0.794 7 Q N -0.656 119.161 119.800 0.028 0.000 2.403 7 Q HA 0.169 4.511 4.340 0.004 0.000 0.203 7 Q C 1.449 177.500 176.000 0.085 0.000 0.932 7 Q CA 0.335 56.123 55.803 -0.025 0.000 0.945 7 Q CB 0.060 28.657 28.738 -0.235 0.000 1.045 7 Q HN 0.375 nan 8.270 nan 0.000 0.511 8 L N 0.457 121.764 121.223 0.141 0.000 2.959 8 L HA 0.293 4.635 4.340 0.004 0.000 0.259 8 L C -0.236 176.802 176.870 0.280 0.000 1.185 8 L CA -0.017 54.938 54.840 0.192 0.000 0.998 8 L CB 0.620 42.726 42.059 0.078 0.000 1.337 8 L HN 0.089 nan 8.230 nan 0.000 0.555 9 L N 0.536 121.882 121.223 0.204 0.000 2.305 9 L HA 0.627 4.969 4.340 0.004 0.000 0.284 9 L C -0.794 176.130 176.870 0.089 0.000 1.013 9 L CA -0.536 54.402 54.840 0.164 0.000 0.819 9 L CB 2.133 44.248 42.059 0.092 0.000 1.227 9 L HN -0.253 nan 8.230 nan 0.000 0.417 10 V N 3.170 123.114 119.914 0.050 0.000 2.932 10 V HA 0.485 4.608 4.120 0.004 0.000 0.307 10 V C -0.645 175.379 176.094 -0.117 0.000 1.147 10 V CA -0.726 61.471 62.300 -0.170 0.000 0.951 10 V CB 2.963 34.448 31.823 -0.563 0.000 1.031 10 V HN 0.741 nan 8.190 nan 0.000 0.426 11 R N 2.464 122.862 120.500 -0.169 0.000 2.460 11 R HA 0.848 5.190 4.340 0.004 0.000 0.303 11 R C -0.871 175.335 176.300 -0.157 0.000 0.968 11 R CA -0.322 55.715 56.100 -0.105 0.000 0.889 11 R CB 1.869 32.109 30.300 -0.101 0.000 1.123 11 R HN 0.703 nan 8.270 nan 0.000 0.455 12 V N 1.636 121.511 119.914 -0.065 0.000 3.181 12 V HA 0.515 4.638 4.120 0.004 0.000 0.314 12 V C 1.107 177.116 176.094 -0.143 0.000 1.173 12 V CA -1.001 61.248 62.300 -0.084 0.000 1.052 12 V CB 1.618 33.519 31.823 0.130 0.000 1.123 12 V HN 0.829 nan 8.190 nan 0.000 0.454 13 R N 1.454 121.852 120.500 -0.170 0.000 2.133 13 R HA -0.053 4.289 4.340 0.004 0.000 0.247 13 R C 1.816 177.980 176.300 -0.228 0.000 1.151 13 R CA 2.494 58.494 56.100 -0.167 0.000 0.971 13 R CB -1.232 28.988 30.300 -0.133 0.000 0.866 13 R HN 1.054 nan 8.270 nan 0.000 0.447 14 G N -2.128 106.492 108.800 -0.300 0.000 2.712 14 G HA2 0.381 4.343 3.960 0.004 0.000 0.212 14 G HA3 0.381 4.343 3.960 0.004 0.000 0.212 14 G C 0.362 174.363 174.900 -1.498 0.000 1.142 14 G CA 0.421 45.080 45.100 -0.734 0.000 0.789 14 G HN 0.743 nan 8.290 nan 0.000 0.535 15 G N -1.104 107.110 108.800 -0.977 0.000 2.302 15 G HA2 0.097 4.059 3.960 0.004 0.000 0.276 15 G HA3 0.097 4.059 3.960 0.004 0.000 0.276 15 G C -1.152 173.680 174.900 -0.113 0.000 1.316 15 G CA -0.948 43.700 45.100 -0.755 0.000 0.988 15 G HN 0.281 nan 8.290 nan 0.000 0.479 16 Q N -0.390 119.497 119.800 0.146 0.000 2.259 16 Q HA 0.677 5.020 4.340 0.004 0.000 0.249 16 Q C -0.310 175.970 176.000 0.466 0.000 0.914 16 Q CA -0.115 55.842 55.803 0.257 0.000 0.904 16 Q CB 1.510 30.351 28.738 0.172 0.000 1.213 16 Q HN 0.447 nan 8.270 nan 0.000 0.428 17 L N 1.595 123.022 121.223 0.339 0.000 2.341 17 L HA 0.631 4.973 4.340 0.004 0.000 0.267 17 L C -0.449 176.604 176.870 0.305 0.000 1.009 17 L CA -0.846 54.204 54.840 0.351 0.000 0.819 17 L CB 2.099 44.409 42.059 0.419 0.000 1.323 17 L HN 0.464 nan 8.230 nan 0.000 0.425 18 R N 0.635 121.289 120.500 0.257 0.000 2.409 18 R HA 0.614 4.957 4.340 0.004 0.000 0.313 18 R C -0.352 176.019 176.300 0.117 0.000 0.953 18 R CA -0.329 55.887 56.100 0.193 0.000 0.849 18 R CB 1.660 32.015 30.300 0.092 0.000 1.171 18 R HN 0.818 nan 8.270 nan 0.000 0.458 19 G N 3.338 112.122 108.800 -0.026 0.000 2.531 19 G HA2 0.462 4.424 3.960 0.004 0.000 0.281 19 G HA3 0.462 4.424 3.960 0.004 0.000 0.281 19 G C -0.921 173.754 174.900 -0.375 0.000 1.382 19 G CA -0.689 44.078 45.100 -0.555 0.000 1.045 19 G HN 0.578 nan 8.290 nan 0.000 0.533 20 I N -0.975 119.333 120.570 -0.436 0.000 2.647 20 I HA 0.497 4.669 4.170 0.004 0.000 0.295 20 I C -0.222 175.754 176.117 -0.236 0.000 1.078 20 I CA -1.139 60.003 61.300 -0.263 0.000 1.048 20 I CB 2.184 40.045 38.000 -0.233 0.000 1.239 20 I HN 0.430 nan 8.210 nan 0.000 0.421 21 R N 7.643 128.036 120.500 -0.179 0.000 2.216 21 R HA 0.503 4.845 4.340 0.004 0.000 0.332 21 R C -1.641 174.538 176.300 -0.202 0.000 1.056 21 R CA -0.343 55.619 56.100 -0.230 0.000 0.901 21 R CB 0.451 30.536 30.300 -0.360 0.000 1.039 21 R HN 0.620 nan 8.270 nan 0.000 0.456 22 L N 3.856 124.984 121.223 -0.159 0.000 2.331 22 L HA 0.421 4.763 4.340 0.004 0.000 0.275 22 L C 0.051 176.846 176.870 -0.125 0.000 1.022 22 L CA -0.851 53.921 54.840 -0.114 0.000 0.812 22 L CB 1.722 43.754 42.059 -0.046 0.000 1.257 22 L HN 0.516 nan 8.230 nan 0.000 0.435 23 K N 2.127 122.460 120.400 -0.111 0.000 2.276 23 K HA 0.609 4.931 4.320 0.004 0.000 0.285 23 K C -0.722 175.809 176.600 -0.115 0.000 1.062 23 K CA -0.309 55.916 56.287 -0.103 0.000 0.918 23 K CB 1.184 33.637 32.500 -0.078 0.000 1.055 23 K HN 0.697 nan 8.250 nan 0.000 0.477 24 A N 5.357 128.109 122.820 -0.113 0.000 2.311 24 A HA 0.474 4.796 4.320 0.004 0.000 0.334 24 A C -2.069 175.498 177.584 -0.028 0.000 1.139 24 A CA -1.839 50.117 52.037 -0.134 0.000 0.830 24 A CB 0.884 19.778 19.000 -0.177 0.000 1.234 24 A HN 0.681 nan 8.150 nan 0.000 0.483 25 P HA -0.091 nan 4.420 nan 0.000 0.218 25 P C 1.286 178.608 177.300 0.038 0.000 1.148 25 P CA 1.923 65.058 63.100 0.059 0.000 0.822 25 P CB 0.251 32.017 31.700 0.110 0.000 0.784 26 G N -2.134 106.691 108.800 0.041 0.000 3.042 26 G HA2 0.442 4.404 3.960 0.004 0.000 0.212 26 G HA3 0.442 4.404 3.960 0.004 0.000 0.212 26 G C 0.528 175.441 174.900 0.022 0.000 1.166 26 G CA 0.461 45.580 45.100 0.031 0.000 0.767 26 G HN 0.584 nan 8.290 nan 0.000 0.546 27 G N -0.577 108.228 108.800 0.008 0.000 2.356 27 G HA2 0.374 4.336 3.960 0.004 0.000 0.300 27 G HA3 0.374 4.336 3.960 0.004 0.000 0.300 27 G C -3.378 171.508 174.900 -0.023 0.000 1.331 27 G CA -0.729 44.373 45.100 0.002 0.000 0.905 27 G HN 0.031 nan 8.290 nan 0.000 0.587 28 P HA 0.522 nan 4.420 nan 0.000 0.274 28 P C 0.015 177.312 177.300 -0.006 0.000 1.237 28 P CA -0.197 62.833 63.100 -0.116 0.000 0.793 28 P CB 1.625 33.124 31.700 -0.334 0.000 0.977 29 V N -1.828 118.079 119.914 -0.011 0.000 3.102 29 V HA 0.689 4.811 4.120 0.004 0.000 0.312 29 V C -0.498 175.679 176.094 0.140 0.000 1.135 29 V CA -0.945 61.431 62.300 0.126 0.000 1.022 29 V CB 1.763 33.663 31.823 0.129 0.000 1.056 29 V HN 0.481 nan 8.190 nan 0.000 0.436 30 S N 1.518 117.365 115.700 0.245 0.000 2.508 30 S HA 0.885 5.358 4.470 0.004 0.000 0.284 30 S C -0.024 174.584 174.600 0.013 0.000 1.192 30 S CA -0.023 58.265 58.200 0.148 0.000 1.070 30 S CB 1.312 64.695 63.200 0.305 0.000 1.004 30 S HN 1.660 nan 8.310 nan 0.000 0.493 31 A N 2.412 125.040 122.820 -0.320 0.000 2.356 31 A HA 0.788 5.111 4.320 0.004 0.000 0.310 31 A C -1.260 175.901 177.584 -0.706 0.000 1.075 31 A CA -0.665 51.070 52.037 -0.503 0.000 0.746 31 A CB 0.465 19.159 19.000 -0.510 0.000 1.221 31 A HN 0.682 nan 8.150 nan 0.000 0.443 32 F N 2.811 122.570 119.950 -0.318 0.000 2.434 32 F HA 0.490 5.020 4.527 0.004 0.000 0.367 32 F C -0.243 175.364 175.800 -0.321 0.000 1.093 32 F CA -0.293 57.599 58.000 -0.180 0.000 1.085 32 F CB 1.339 40.374 39.000 0.057 0.000 1.322 32 F HN 0.347 nan 8.300 nan 0.000 0.452 33 L N 2.113 123.185 121.223 -0.252 0.000 2.334 33 L HA 0.719 5.061 4.340 0.004 0.000 0.276 33 L C 0.848 177.608 176.870 -0.182 0.000 1.014 33 L CA -0.977 53.652 54.840 -0.352 0.000 0.815 33 L CB 1.855 43.501 42.059 -0.688 0.000 1.268 33 L HN 0.805 nan 8.230 nan 0.000 0.428 34 G N 3.009 111.763 108.800 -0.077 0.000 2.182 34 G HA2 -0.247 3.715 3.960 0.004 0.000 0.248 34 G HA3 -0.247 3.715 3.960 0.004 0.000 0.248 34 G C -0.099 174.841 174.900 0.067 0.000 1.042 34 G CA -0.370 44.696 45.100 -0.058 0.000 0.775 34 G HN 0.481 nan 8.290 nan 0.000 0.501 35 I N 2.264 122.894 120.570 0.100 0.000 2.452 35 I HA 0.239 4.411 4.170 0.004 0.000 0.287 35 I C -1.471 174.742 176.117 0.159 0.000 1.079 35 I CA -2.044 59.316 61.300 0.100 0.000 1.387 35 I CB 0.954 38.976 38.000 0.036 0.000 1.404 35 I HN -0.035 nan 8.210 nan 0.000 0.522 36 P HA 0.073 nan 4.420 nan 0.000 0.280 36 P C -0.248 177.045 177.300 -0.011 0.000 1.244 36 P CA -0.070 62.948 63.100 -0.137 0.000 0.784 36 P CB 0.600 32.207 31.700 -0.154 0.000 0.913 37 F N 0.814 120.646 119.950 -0.197 0.000 2.706 37 F HA 0.733 5.262 4.527 0.004 0.000 0.313 37 F C 0.037 175.843 175.800 0.010 0.000 1.096 37 F CA -0.717 57.232 58.000 -0.084 0.000 1.219 37 F CB 0.219 39.058 39.000 -0.268 0.000 1.051 37 F HN 0.328 nan 8.300 nan 0.000 0.568 38 A N 0.056 122.585 122.820 -0.485 0.000 2.594 38 A HA 0.592 4.914 4.320 0.004 0.000 0.291 38 A C -0.867 176.563 177.584 -0.256 0.000 1.105 38 A CA -0.780 51.069 52.037 -0.314 0.000 0.694 38 A CB 0.979 19.709 19.000 -0.450 0.000 1.291 38 A HN 0.050 nan 8.150 nan 0.000 0.410 39 E N 1.225 121.347 120.200 -0.130 0.000 2.414 39 E HA 0.223 4.575 4.350 0.004 0.000 0.263 39 E C -2.292 174.213 176.600 -0.159 0.000 1.000 39 E CA -1.342 54.996 56.400 -0.104 0.000 0.914 39 E CB -0.019 29.655 29.700 -0.045 0.000 0.948 39 E HN 0.228 nan 8.360 nan 0.000 0.444 40 P HA -0.034 nan 4.420 nan 0.000 0.258 40 P C -2.201 175.030 177.300 -0.116 0.000 1.172 40 P CA -0.550 62.466 63.100 -0.140 0.000 0.762 40 P CB -0.081 31.571 31.700 -0.079 0.000 0.764 41 P HA 0.006 nan 4.420 nan 0.000 0.228 41 P C -0.277 176.950 177.300 -0.121 0.000 1.748 41 P CA 0.154 63.187 63.100 -0.112 0.000 0.909 41 P CB -0.140 31.494 31.700 -0.109 0.000 1.882 42 V N -3.099 116.752 119.914 -0.105 0.000 2.994 42 V HA 0.908 5.030 4.120 0.004 0.000 0.318 42 V C 0.883 176.921 176.094 -0.092 0.000 1.085 42 V CA 0.139 62.374 62.300 -0.109 0.000 0.998 42 V CB 0.942 32.714 31.823 -0.086 0.000 1.063 42 V HN 0.533 nan 8.190 nan 0.000 0.447 43 G N 2.953 111.696 108.800 -0.094 0.000 2.565 43 G HA2 -0.334 3.629 3.960 0.004 0.000 0.295 43 G HA3 -0.334 3.629 3.960 0.004 0.000 0.295 43 G C 1.217 176.077 174.900 -0.067 0.000 1.165 43 G CA 1.554 46.614 45.100 -0.068 0.000 0.977 43 G HN 2.374 nan 8.290 nan 0.000 0.546 44 S N 0.355 116.032 115.700 -0.039 0.000 2.507 44 S HA 0.025 4.497 4.470 0.004 0.000 0.235 44 S C 1.980 176.565 174.600 -0.025 0.000 0.988 44 S CA 1.652 59.840 58.200 -0.020 0.000 0.944 44 S CB -0.059 63.138 63.200 -0.005 0.000 0.762 44 S HN 0.703 nan 8.310 nan 0.000 0.526 45 R N 0.703 121.173 120.500 -0.049 0.000 2.297 45 R HA 0.254 4.596 4.340 0.004 0.000 0.197 45 R C 0.976 177.222 176.300 -0.091 0.000 0.943 45 R CA -0.214 55.857 56.100 -0.050 0.000 1.038 45 R CB -0.002 30.268 30.300 -0.050 0.000 0.957 45 R HN 0.351 nan 8.270 nan 0.000 0.484 46 R N 0.888 121.281 120.500 -0.178 0.000 2.585 46 R HA -0.147 4.195 4.340 0.004 0.000 0.275 46 R C -0.368 175.698 176.300 -0.390 0.000 1.018 46 R CA 0.659 56.514 56.100 -0.409 0.000 1.072 46 R CB 0.129 30.043 30.300 -0.643 0.000 0.953 46 R HN 0.139 nan 8.270 nan 0.000 0.419 47 F N -0.870 119.089 119.950 0.016 0.000 2.825 47 F HA -0.331 4.198 4.527 0.004 0.000 0.358 47 F C 0.204 175.991 175.800 -0.022 0.000 0.639 47 F CA 0.733 58.721 58.000 -0.020 0.000 1.153 47 F CB -1.720 37.259 39.000 -0.035 0.000 1.610 47 F HN 0.466 nan 8.300 nan 0.000 0.305 48 M N 1.357 121.016 119.600 0.098 0.000 2.342 48 M HA 0.400 4.883 4.480 0.004 0.000 0.332 48 M C -1.932 174.390 176.300 0.038 0.000 1.166 48 M CA -1.490 53.849 55.300 0.066 0.000 1.086 48 M CB 0.666 33.291 32.600 0.042 0.000 1.541 48 M HN -0.363 nan 8.290 nan 0.000 0.462 49 P HA 0.072 nan 4.420 nan 0.000 0.267 49 P C -2.460 174.860 177.300 0.034 0.000 1.201 49 P CA -0.555 62.571 63.100 0.043 0.000 0.775 49 P CB -0.633 31.103 31.700 0.059 0.000 0.854 50 P HA 0.168 nan 4.420 nan 0.000 0.275 50 P C -0.602 176.722 177.300 0.040 0.000 1.228 50 P CA 0.103 63.218 63.100 0.024 0.000 0.786 50 P CB 0.914 32.646 31.700 0.053 0.000 0.927 51 E N 3.160 123.369 120.200 0.015 0.000 2.202 51 E HA 0.393 4.745 4.350 0.004 0.000 0.272 51 E C -2.263 174.362 176.600 0.042 0.000 0.951 51 E CA -2.309 54.111 56.400 0.033 0.000 0.813 51 E CB 0.570 30.281 29.700 0.019 0.000 1.151 51 E HN 0.362 nan 8.360 nan 0.000 0.398 52 P HA -0.032 nan 4.420 nan 0.000 0.269 52 P C -0.769 176.585 177.300 0.091 0.000 1.209 52 P CA -0.292 62.876 63.100 0.112 0.000 0.776 52 P CB 0.449 32.223 31.700 0.124 0.000 0.876 53 K N 3.188 123.663 120.400 0.125 0.000 2.412 53 K HA 0.044 4.366 4.320 0.004 0.000 0.281 53 K C 0.038 176.727 176.600 0.148 0.000 1.027 53 K CA 0.369 56.736 56.287 0.132 0.000 0.989 53 K CB 0.103 32.735 32.500 0.220 0.000 0.935 53 K HN 0.270 nan 8.250 nan 0.000 0.475 54 R N 5.413 125.988 120.500 0.124 0.000 2.491 54 R HA 0.145 4.488 4.340 0.004 0.000 0.283 54 R C -1.994 174.391 176.300 0.142 0.000 1.072 54 R CA -1.661 54.501 56.100 0.102 0.000 1.048 54 R CB 0.069 30.418 30.300 0.081 0.000 0.983 54 R HN 0.588 nan 8.270 nan 0.000 0.450 55 P HA -0.107 nan 4.420 nan 0.000 0.266 55 P C -1.018 176.298 177.300 0.027 0.000 1.193 55 P CA 0.201 63.228 63.100 -0.122 0.000 0.770 55 P CB 0.299 31.889 31.700 -0.184 0.000 0.836 56 W N 1.176 122.510 121.300 0.056 0.000 2.647 56 W HA 0.680 5.342 4.660 0.004 0.000 0.353 56 W C -0.580 175.965 176.519 0.043 0.000 1.080 56 W CA -1.035 56.340 57.345 0.050 0.000 1.208 56 W CB 0.090 29.588 29.460 0.063 0.000 1.396 56 W HN 0.368 nan 8.180 nan 0.000 0.573 57 S N 1.697 117.569 115.700 0.286 0.000 2.578 57 S HA 0.823 5.296 4.470 0.004 0.000 0.283 57 S C 0.393 175.150 174.600 0.261 0.000 1.195 57 S CA 0.074 58.376 58.200 0.171 0.000 1.050 57 S CB 0.876 64.141 63.200 0.108 0.000 1.012 57 S HN 2.158 nan 8.310 nan 0.000 0.511 58 G N 0.665 109.577 108.800 0.187 0.000 2.693 58 G HA2 -0.133 3.830 3.960 0.004 0.000 0.226 58 G HA3 -0.133 3.830 3.960 0.004 0.000 0.226 58 G C -0.741 174.328 174.900 0.282 0.000 1.354 58 G CA -0.404 44.807 45.100 0.184 0.000 0.873 58 G HN 1.638 nan 8.290 nan 0.000 0.562 59 V N 0.826 120.864 119.914 0.206 0.000 2.383 59 V HA 0.536 4.659 4.120 0.004 0.000 0.275 59 V C 0.892 177.074 176.094 0.147 0.000 1.036 59 V CA -0.267 62.162 62.300 0.214 0.000 0.889 59 V CB 1.213 33.117 31.823 0.135 0.000 0.985 59 V HN 0.810 nan 8.190 nan 0.000 0.459 60 L N 4.578 125.883 121.223 0.137 0.000 2.319 60 L HA 0.347 4.690 4.340 0.004 0.000 0.280 60 L C 0.587 177.434 176.870 -0.039 0.000 1.099 60 L CA 0.003 54.767 54.840 -0.126 0.000 0.828 60 L CB 0.703 42.422 42.059 -0.566 0.000 1.150 60 L HN 0.684 nan 8.230 nan 0.000 0.442 61 D N 4.767 125.125 120.400 -0.070 0.000 2.358 61 D HA 0.131 4.773 4.640 0.004 0.000 0.258 61 D C -0.346 175.909 176.300 -0.076 0.000 1.223 61 D CA 0.077 54.045 54.000 -0.054 0.000 0.886 61 D CB 1.367 42.126 40.800 -0.068 0.000 1.120 61 D HN 0.680 nan 8.370 nan 0.000 0.482 62 A N 3.206 126.005 122.820 -0.035 0.000 3.154 62 A HA 0.187 4.509 4.320 0.004 0.000 0.310 62 A C 1.055 178.548 177.584 -0.152 0.000 1.093 62 A CA -0.440 51.567 52.037 -0.049 0.000 1.006 62 A CB -0.078 18.996 19.000 0.123 0.000 1.084 62 A HN 0.573 nan 8.150 nan 0.000 0.549 63 T N -3.233 111.214 114.554 -0.178 0.000 3.001 63 T HA 0.226 4.578 4.350 0.004 0.000 0.251 63 T C 0.769 175.306 174.700 -0.272 0.000 1.040 63 T CA 0.866 62.832 62.100 -0.223 0.000 0.985 63 T CB -0.173 68.597 68.868 -0.162 0.000 1.011 63 T HN 0.679 nan 8.240 nan 0.000 0.509 64 T N -0.392 114.003 114.554 -0.265 0.000 2.906 64 T HA 0.699 5.051 4.350 0.004 0.000 0.295 64 T C -0.740 173.792 174.700 -0.280 0.000 1.061 64 T CA -0.924 61.012 62.100 -0.273 0.000 1.000 64 T CB 1.087 69.865 68.868 -0.150 0.000 1.103 64 T HN 0.017 nan 8.240 nan 0.000 0.486 65 F N 1.948 121.829 119.950 -0.116 0.000 2.553 65 F HA 0.310 4.839 4.527 0.004 0.000 0.356 65 F C 1.495 177.193 175.800 -0.170 0.000 1.142 65 F CA -0.127 57.805 58.000 -0.114 0.000 1.322 65 F CB 0.468 39.429 39.000 -0.064 0.000 1.126 65 F HN 0.481 nan 8.300 nan 0.000 0.599 66 Q N 1.344 121.140 119.800 -0.007 0.000 2.162 66 Q HA 0.216 4.558 4.340 0.004 0.000 0.197 66 Q C -0.182 175.744 176.000 -0.123 0.000 1.013 66 Q CA -0.751 54.899 55.803 -0.254 0.000 1.040 66 Q CB 0.571 28.832 28.738 -0.794 0.000 1.114 66 Q HN 0.527 nan 8.270 nan 0.000 0.547 67 N N -0.161 118.443 118.700 -0.161 0.000 2.374 67 N HA 0.003 4.745 4.740 0.004 0.000 0.241 67 N C -0.506 174.994 175.510 -0.017 0.000 1.262 67 N CA 0.151 53.161 53.050 -0.067 0.000 0.880 67 N CB 0.356 38.821 38.487 -0.037 0.000 1.105 67 N HN 0.174 nan 8.380 nan 0.000 0.438 68 V N 1.589 121.468 119.914 -0.058 0.000 2.607 68 V HA 0.072 4.195 4.120 0.004 0.000 0.289 68 V C 0.682 176.740 176.094 -0.061 0.000 1.053 68 V CA -0.835 61.421 62.300 -0.074 0.000 0.996 68 V CB 0.991 32.733 31.823 -0.134 0.000 0.995 68 V HN 0.709 nan 8.190 nan 0.000 0.476 69 c N 4.267 122.851 118.600 -0.026 0.000 2.634 69 c HA 0.085 4.658 4.570 0.004 0.000 0.417 69 c C 0.509 174.581 174.090 -0.030 0.000 1.334 69 c CA -0.536 55.789 56.329 -0.008 0.000 1.829 69 c CB -1.080 41.458 42.510 0.047 0.000 2.665 69 c HN 0.757 nan 8.230 nan 0.000 0.614 70 Y N 4.043 124.232 120.300 -0.184 0.000 2.721 70 Y HA 0.227 4.779 4.550 0.004 0.000 0.329 70 Y C 0.825 176.785 175.900 0.100 0.000 1.211 70 Y CA 0.988 58.985 58.100 -0.171 0.000 1.512 70 Y CB 0.132 38.272 38.460 -0.533 0.000 1.249 70 Y HN 0.740 nan 8.280 nan 0.000 0.549 71 Q N 4.287 124.152 119.800 0.110 0.000 2.575 71 Q HA 0.217 4.559 4.340 0.004 0.000 0.290 71 Q C -1.763 174.419 176.000 0.302 0.000 0.963 71 Q CA -1.241 54.744 55.803 0.303 0.000 0.783 71 Q CB 1.286 30.146 28.738 0.204 0.000 1.467 71 Q HN 0.673 nan 8.270 nan 0.000 0.402 72 Y N 1.273 121.786 120.300 0.356 0.000 2.717 72 Y HA 0.270 4.822 4.550 0.004 0.000 0.330 72 Y C -0.963 175.123 175.900 0.310 0.000 1.217 72 Y CA 0.327 58.656 58.100 0.382 0.000 1.506 72 Y CB 0.740 39.545 38.460 0.576 0.000 1.268 72 Y HN 0.432 nan 8.280 nan 0.000 0.561 73 V N 7.206 126.871 119.914 -0.415 0.000 2.398 73 V HA 0.082 4.204 4.120 0.004 0.000 0.286 73 V C -0.032 175.739 176.094 -0.539 0.000 1.026 73 V CA -1.110 61.001 62.300 -0.314 0.000 0.868 73 V CB 1.427 33.139 31.823 -0.184 0.000 0.982 73 V HN 0.779 nan 8.190 nan 0.000 0.443 74 D N 3.242 123.573 120.400 -0.115 0.000 2.425 74 D HA 0.067 4.709 4.640 0.004 0.000 0.247 74 D C 0.771 177.107 176.300 0.059 0.000 1.147 74 D CA 0.421 54.481 54.000 0.100 0.000 0.879 74 D CB 1.657 42.669 40.800 0.353 0.000 1.179 74 D HN 0.790 nan 8.370 nan 0.000 0.456 75 T N 1.052 115.652 114.554 0.077 0.000 3.091 75 T HA -0.006 4.346 4.350 0.004 0.000 0.277 75 T C 1.698 176.407 174.700 0.015 0.000 0.996 75 T CA -0.431 61.691 62.100 0.038 0.000 0.897 75 T CB 0.202 69.074 68.868 0.008 0.000 1.109 75 T HN 0.237 nan 8.240 nan 0.000 0.534 76 L N 1.144 122.375 121.223 0.013 0.000 1.971 76 L HA 0.119 4.461 4.340 0.004 0.000 0.215 76 L C -0.161 176.446 176.870 -0.439 0.000 1.072 76 L CA 1.708 56.374 54.840 -0.290 0.000 0.758 76 L CB -0.593 41.181 42.059 -0.475 0.000 0.889 76 L HN 0.435 nan 8.230 nan 0.000 0.433 77 Y N -0.101 120.229 120.300 0.050 0.000 2.787 77 Y HA 0.433 4.985 4.550 0.004 0.000 0.352 77 Y C -2.190 173.758 175.900 0.080 0.000 1.027 77 Y CA -3.408 54.703 58.100 0.019 0.000 1.219 77 Y CB -0.084 38.350 38.460 -0.042 0.000 1.110 77 Y HN 0.123 nan 8.280 nan 0.000 0.614 78 P HA 0.149 nan 4.420 nan 0.000 0.264 78 P C 1.016 178.383 177.300 0.112 0.000 1.193 78 P CA 1.307 64.472 63.100 0.108 0.000 0.763 78 P CB 0.878 32.612 31.700 0.056 0.000 0.810 79 G N 2.260 111.111 108.800 0.085 0.000 2.225 79 G HA2 -0.282 3.680 3.960 0.004 0.000 0.254 79 G HA3 -0.282 3.680 3.960 0.004 0.000 0.254 79 G C -0.057 174.887 174.900 0.074 0.000 0.988 79 G CA -0.369 44.764 45.100 0.054 0.000 0.625 79 G HN 0.541 nan 8.290 nan 0.000 0.527 80 F N 2.221 122.135 119.950 -0.059 0.000 2.420 80 F HA 0.606 5.135 4.527 0.003 0.000 0.352 80 F C 1.297 177.001 175.800 -0.160 0.000 1.108 80 F CA -0.449 57.464 58.000 -0.145 0.000 1.162 80 F CB 1.255 40.140 39.000 -0.191 0.000 1.118 80 F HN 0.205 nan 8.300 nan 0.000 0.510 81 E N 3.609 123.365 120.200 -0.740 0.000 2.153 81 E HA -0.096 4.257 4.350 0.004 0.000 0.194 81 E C 2.105 178.207 176.600 -0.830 0.000 0.988 81 E CA 1.403 57.405 56.400 -0.664 0.000 0.811 81 E CB -0.267 29.127 29.700 -0.510 0.000 0.746 81 E HN 1.002 nan 8.360 nan 0.000 0.466 82 G N -0.234 107.563 108.800 -1.673 0.000 2.432 82 G HA2 -0.293 3.669 3.960 0.004 0.000 0.219 82 G HA3 -0.293 3.669 3.960 0.004 0.000 0.219 82 G C 1.670 176.582 174.900 0.020 0.000 1.135 82 G CA 1.493 45.954 45.100 -1.064 0.000 0.767 82 G HN 0.466 nan 8.290 nan 0.000 0.550 83 T N -1.885 112.669 114.554 0.002 0.000 2.983 83 T HA 0.122 4.474 4.350 0.004 0.000 0.250 83 T C 1.917 176.780 174.700 0.272 0.000 1.037 83 T CA 0.800 63.199 62.100 0.498 0.000 1.142 83 T CB 0.006 69.220 68.868 0.577 0.000 0.876 83 T HN 0.131 nan 8.240 nan 0.000 0.455 84 E N 2.120 122.332 120.200 0.020 0.000 2.204 84 E HA -0.063 4.289 4.350 0.004 0.000 0.194 84 E C 2.223 178.734 176.600 -0.148 0.000 0.989 84 E CA 1.191 57.568 56.400 -0.039 0.000 0.824 84 E CB -0.451 29.195 29.700 -0.091 0.000 0.756 84 E HN 0.796 nan 8.360 nan 0.000 0.477 85 M N -2.264 117.150 119.600 -0.310 0.000 2.446 85 M HA -0.073 4.409 4.480 0.004 0.000 0.263 85 M C 1.175 177.097 176.300 -0.630 0.000 1.066 85 M CA 1.404 56.376 55.300 -0.547 0.000 1.087 85 M CB -0.467 31.675 32.600 -0.763 0.000 1.406 85 M HN -0.003 nan 8.290 nan 0.000 0.459 86 W N 0.734 121.971 121.300 -0.105 0.000 3.177 86 W HA 0.306 4.968 4.660 0.003 0.000 0.309 86 W C 0.399 176.853 176.519 -0.110 0.000 1.224 86 W CA -0.993 56.277 57.345 -0.126 0.000 1.718 86 W CB -0.109 29.326 29.460 -0.041 0.000 1.078 86 W HN 0.091 nan 8.180 nan 0.000 0.618 87 N N 1.685 120.434 118.700 0.081 0.000 2.444 87 N HA 0.118 4.861 4.740 0.004 0.000 0.255 87 N C -2.390 173.077 175.510 -0.072 0.000 1.255 87 N CA -1.342 51.721 53.050 0.021 0.000 0.933 87 N CB -0.168 38.325 38.487 0.010 0.000 1.143 87 N HN -0.322 nan 8.380 nan 0.000 0.453 88 P HA 0.058 nan 4.420 nan 0.000 0.265 88 P C 0.170 177.388 177.300 -0.137 0.000 1.193 88 P CA 0.069 63.090 63.100 -0.132 0.000 0.765 88 P CB 0.301 31.919 31.700 -0.135 0.000 0.823 89 N N 1.945 120.548 118.700 -0.162 0.000 2.200 89 N HA 0.094 4.837 4.740 0.004 0.000 0.224 89 N C 0.121 175.558 175.510 -0.122 0.000 1.179 89 N CA -0.047 52.914 53.050 -0.149 0.000 0.877 89 N CB 0.399 38.775 38.487 -0.184 0.000 1.072 89 N HN 0.128 nan 8.380 nan 0.000 0.519 90 R N 0.292 120.720 120.500 -0.119 0.000 2.855 90 R HA 0.281 4.623 4.340 0.004 0.000 0.266 90 R C -0.584 175.656 176.300 -0.099 0.000 1.034 90 R CA -0.731 55.315 56.100 -0.090 0.000 0.944 90 R CB 0.850 31.107 30.300 -0.072 0.000 1.219 90 R HN 0.325 nan 8.270 nan 0.000 0.474 91 E N 1.355 121.504 120.200 -0.084 0.000 2.481 91 E HA -0.028 4.324 4.350 0.004 0.000 0.263 91 E C -0.601 175.930 176.600 -0.114 0.000 0.992 91 E CA 0.052 56.399 56.400 -0.089 0.000 0.938 91 E CB 0.489 30.151 29.700 -0.063 0.000 0.933 91 E HN 0.281 nan 8.360 nan 0.000 0.453 92 L N 3.690 124.811 121.223 -0.170 0.000 2.305 92 L HA 0.291 4.633 4.340 0.004 0.000 0.281 92 L C 0.250 177.062 176.870 -0.097 0.000 1.085 92 L CA -0.117 54.560 54.840 -0.271 0.000 0.813 92 L CB 1.278 42.930 42.059 -0.677 0.000 1.157 92 L HN 0.421 nan 8.230 nan 0.000 0.436 93 S N 1.108 116.805 115.700 -0.005 0.000 2.550 93 S HA 0.258 4.730 4.470 0.004 0.000 0.270 93 S C 0.293 174.909 174.600 0.026 0.000 1.145 93 S CA -0.655 57.600 58.200 0.091 0.000 0.852 93 S CB 1.647 64.866 63.200 0.031 0.000 1.119 93 S HN 0.741 nan 8.310 nan 0.000 0.465 94 E N 0.813 120.975 120.200 -0.064 0.000 2.347 94 E HA -0.042 4.311 4.350 0.004 0.000 0.196 94 E C -0.387 176.153 176.600 -0.100 0.000 1.008 94 E CA 0.389 56.675 56.400 -0.190 0.000 0.852 94 E CB 0.111 29.635 29.700 -0.292 0.000 0.783 94 E HN 0.499 nan 8.360 nan 0.000 0.505 95 D N 0.468 120.848 120.400 -0.033 0.000 2.470 95 D HA -0.002 4.640 4.640 0.004 0.000 0.226 95 D C 0.064 176.458 176.300 0.157 0.000 1.196 95 D CA -0.236 53.781 54.000 0.028 0.000 0.979 95 D CB 0.090 40.925 40.800 0.057 0.000 1.059 95 D HN 0.161 nan 8.370 nan 0.000 0.515 96 c N 2.567 121.230 118.600 0.104 0.000 4.015 96 c HA 0.368 4.940 4.570 0.004 0.000 0.323 96 c C 0.550 174.723 174.090 0.138 0.000 1.724 96 c CA -0.617 55.836 56.329 0.206 0.000 1.828 96 c CB -1.125 41.434 42.510 0.081 0.000 3.083 96 c HN 0.432 nan 8.230 nan 0.000 0.640 97 L N 2.637 123.674 121.223 -0.310 0.000 2.399 97 L HA 0.426 4.768 4.340 0.004 0.000 0.257 97 L C -0.993 175.315 176.870 -0.936 0.000 1.236 97 L CA 0.354 54.837 54.840 -0.595 0.000 1.144 97 L CB -0.539 41.027 42.059 -0.821 0.000 1.379 97 L HN 0.386 nan 8.230 nan 0.000 0.414 98 Y N 1.755 122.077 120.300 0.036 0.000 2.536 98 Y HA 0.635 5.187 4.550 0.004 0.000 0.347 98 Y C -0.059 176.026 175.900 0.307 0.000 1.000 98 Y CA -1.203 56.974 58.100 0.130 0.000 1.051 98 Y CB 2.035 40.516 38.460 0.036 0.000 1.259 98 Y HN 0.198 nan 8.280 nan 0.000 0.468 99 L N -0.247 121.149 121.223 0.288 0.000 2.309 99 L HA 0.783 5.126 4.340 0.004 0.000 0.261 99 L C -1.537 175.324 176.870 -0.016 0.000 1.021 99 L CA -1.186 53.692 54.840 0.064 0.000 0.823 99 L CB 2.018 43.922 42.059 -0.259 0.000 1.366 99 L HN 0.566 nan 8.230 nan 0.000 0.423 100 N N -0.287 118.402 118.700 -0.019 0.000 2.238 100 N HA 0.810 5.552 4.740 0.004 0.000 0.302 100 N C -1.589 173.814 175.510 -0.179 0.000 1.072 100 N CA -0.808 52.154 53.050 -0.147 0.000 0.792 100 N CB 2.779 41.190 38.487 -0.126 0.000 1.425 100 N HN 0.485 nan 8.380 nan 0.000 0.478 101 V N 1.321 121.058 119.914 -0.295 0.000 2.588 101 V HA 0.470 4.592 4.120 0.004 0.000 0.304 101 V C -0.916 175.092 176.094 -0.144 0.000 1.042 101 V CA -0.735 61.475 62.300 -0.149 0.000 0.877 101 V CB 1.489 33.092 31.823 -0.365 0.000 0.996 101 V HN 0.621 nan 8.190 nan 0.000 0.425 102 W N 2.614 123.998 121.300 0.139 0.000 2.666 102 W HA 0.714 5.377 4.660 0.005 0.000 0.334 102 W C 0.063 176.680 176.519 0.164 0.000 1.051 102 W CA -0.441 56.993 57.345 0.150 0.000 1.224 102 W CB 2.474 32.002 29.460 0.113 0.000 1.405 102 W HN 0.670 nan 8.180 nan 0.000 0.513 103 T N 0.076 114.881 114.554 0.418 0.000 2.868 103 T HA 0.491 4.844 4.350 0.004 0.000 0.306 103 T C -2.894 171.975 174.700 0.282 0.000 1.224 103 T CA -2.216 60.079 62.100 0.325 0.000 1.012 103 T CB 2.127 71.206 68.868 0.353 0.000 1.221 103 T HN -0.092 nan 8.240 nan 0.000 0.499 104 P HA 0.157 nan 4.420 nan 0.000 0.269 104 P C -1.545 175.896 177.300 0.236 0.000 1.211 104 P CA 0.002 63.216 63.100 0.191 0.000 0.781 104 P CB 0.043 31.825 31.700 0.137 0.000 0.877 105 Y N 2.589 122.941 120.300 0.087 0.000 2.326 105 Y HA 0.411 4.964 4.550 0.004 0.000 0.329 105 Y C -2.155 173.778 175.900 0.055 0.000 0.973 105 Y CA -2.444 55.700 58.100 0.074 0.000 1.162 105 Y CB 1.070 39.560 38.460 0.050 0.000 1.147 105 Y HN 0.332 nan 8.280 nan 0.000 0.456 106 P HA 0.220 nan 4.420 nan 0.000 0.273 106 P C -0.814 176.448 177.300 -0.064 0.000 1.250 106 P CA -0.339 62.569 63.100 -0.319 0.000 0.793 106 P CB 1.036 32.580 31.700 -0.260 0.000 1.011 107 R N 0.926 121.407 120.500 -0.031 0.000 2.734 107 R HA 0.175 4.518 4.340 0.004 0.000 0.266 107 R C -1.708 174.619 176.300 0.045 0.000 1.044 107 R CA -1.086 55.055 56.100 0.068 0.000 1.128 107 R CB -0.775 29.584 30.300 0.098 0.000 1.010 107 R HN 0.472 nan 8.270 nan 0.000 0.461 108 P HA -0.033 nan 4.420 nan 0.000 0.266 108 P C -0.339 176.978 177.300 0.029 0.000 1.195 108 P CA 0.225 63.355 63.100 0.049 0.000 0.768 108 P CB 0.840 32.578 31.700 0.063 0.000 0.838 109 A N 2.701 125.531 122.820 0.016 0.000 2.016 109 A HA 0.048 4.370 4.320 0.004 0.000 0.217 109 A C 1.136 178.723 177.584 0.005 0.000 1.162 109 A CA 1.104 53.144 52.037 0.005 0.000 0.662 109 A CB -0.562 18.439 19.000 0.000 0.000 0.812 109 A HN 0.671 nan 8.150 nan 0.000 0.450 110 S N -0.377 115.330 115.700 0.011 0.000 2.578 110 S HA 0.640 5.113 4.470 0.004 0.000 0.301 110 S C -3.206 171.403 174.600 0.014 0.000 1.091 110 S CA -1.805 56.400 58.200 0.008 0.000 1.032 110 S CB 1.351 64.554 63.200 0.005 0.000 1.064 110 S HN 0.007 nan 8.310 nan 0.000 0.508 111 P HA 0.256 nan 4.420 nan 0.000 0.267 111 P C -0.725 176.585 177.300 0.016 0.000 1.209 111 P CA 0.058 63.167 63.100 0.015 0.000 0.763 111 P CB 0.305 32.007 31.700 0.002 0.000 0.816 112 T N 5.133 119.707 114.554 0.034 0.000 2.823 112 T HA 0.427 4.779 4.350 0.004 0.000 0.279 112 T C -2.488 172.234 174.700 0.036 0.000 0.998 112 T CA -1.915 60.206 62.100 0.036 0.000 0.994 112 T CB 0.922 69.826 68.868 0.060 0.000 0.960 112 T HN 0.154 nan 8.240 nan 0.000 0.448 113 P HA 0.130 nan 4.420 nan 0.000 0.265 113 P C -0.853 176.478 177.300 0.051 0.000 1.187 113 P CA -0.204 62.904 63.100 0.013 0.000 0.766 113 P CB 0.371 32.063 31.700 -0.014 0.000 0.820 114 V N 4.843 124.802 119.914 0.075 0.000 2.483 114 V HA 0.297 4.419 4.120 0.004 0.000 0.295 114 V C 0.127 176.301 176.094 0.133 0.000 1.035 114 V CA -0.488 61.884 62.300 0.120 0.000 0.896 114 V CB 1.317 33.227 31.823 0.145 0.000 0.986 114 V HN 0.281 nan 8.190 nan 0.000 0.447 115 L N 5.945 127.264 121.223 0.159 0.000 2.313 115 L HA 0.579 4.921 4.340 0.004 0.000 0.283 115 L C -0.318 176.790 176.870 0.398 0.000 1.013 115 L CA 0.124 55.088 54.840 0.207 0.000 0.816 115 L CB 1.465 43.544 42.059 0.035 0.000 1.236 115 L HN 0.448 nan 8.230 nan 0.000 0.419 116 I N 2.615 123.458 120.570 0.455 0.000 2.362 116 I HA 0.229 4.401 4.170 0.004 0.000 0.289 116 I C -0.788 175.612 176.117 0.472 0.000 0.994 116 I CA -0.501 61.037 61.300 0.397 0.000 1.158 116 I CB 1.323 39.437 38.000 0.190 0.000 1.315 116 I HN 0.651 nan 8.210 nan 0.000 0.451 117 W N 8.517 129.895 121.300 0.131 0.000 2.338 117 W HA 0.559 5.220 4.660 0.003 0.000 0.307 117 W C -1.500 174.910 176.519 -0.183 0.000 1.167 117 W CA -0.633 56.543 57.345 -0.282 0.000 1.208 117 W CB 1.130 30.469 29.460 -0.202 0.000 1.228 117 W HN 0.357 nan 8.180 nan 0.000 0.499 118 I N 9.027 128.982 120.570 -1.026 0.000 2.382 118 I HA 0.090 4.262 4.170 0.004 0.000 0.285 118 I C -0.182 175.123 176.117 -1.353 0.000 1.007 118 I CA -1.145 59.603 61.300 -0.920 0.000 1.142 118 I CB 0.699 38.340 38.000 -0.599 0.000 1.289 118 I HN 0.315 nan 8.210 nan 0.000 0.453 119 Y N 4.569 124.357 120.300 -0.853 0.000 2.426 119 Y HA 0.657 5.209 4.550 0.004 0.000 0.344 119 Y C 0.772 176.472 175.900 -0.333 0.000 1.256 119 Y CA -0.717 57.003 58.100 -0.633 0.000 1.451 119 Y CB -0.005 38.301 38.460 -0.257 0.000 1.342 119 Y HN 0.539 nan 8.280 nan 0.000 0.600 120 G N -0.848 107.927 108.800 -0.043 0.000 2.583 120 G HA2 0.491 4.453 3.960 0.004 0.000 0.280 120 G HA3 0.491 4.453 3.960 0.004 0.000 0.280 120 G C 0.270 175.100 174.900 -0.116 0.000 1.376 120 G CA -0.948 44.065 45.100 -0.145 0.000 1.043 120 G HN 1.736 nan 8.290 nan 0.000 0.538 121 G N -2.767 105.820 108.800 -0.356 0.000 2.188 121 G HA2 0.397 4.360 3.960 0.004 0.000 0.112 121 G HA3 0.397 4.360 3.960 0.004 0.000 0.112 121 G C 1.062 175.473 174.900 -0.814 0.000 1.048 121 G CA 0.700 45.477 45.100 -0.539 0.000 0.720 121 G HN 2.377 nan 8.290 nan 0.000 0.487 122 G N -0.622 107.672 108.800 -0.843 0.000 2.168 122 G HA2 -0.122 3.840 3.960 0.004 0.000 0.257 122 G HA3 -0.122 3.840 3.960 0.004 0.000 0.257 122 G C 0.907 175.526 174.900 -0.469 0.000 0.997 122 G CA 0.798 45.124 45.100 -1.291 0.000 0.708 122 G HN 1.823 nan 8.290 nan 0.000 0.520 123 F N -3.211 116.608 119.950 -0.219 0.000 2.973 123 F HA -0.317 4.212 4.527 0.004 0.000 0.299 123 F C 1.438 177.327 175.800 0.148 0.000 0.737 123 F CA 2.192 60.177 58.000 -0.025 0.000 1.151 123 F CB -2.079 36.735 39.000 -0.311 0.000 1.440 123 F HN 0.929 nan 8.300 nan 0.000 0.367 124 Y N -1.020 119.362 120.300 0.136 0.000 2.453 124 Y HA 0.644 5.196 4.550 0.004 0.000 0.247 124 Y C 0.568 176.590 175.900 0.203 0.000 1.124 124 Y CA 0.286 58.491 58.100 0.176 0.000 1.243 124 Y CB 0.084 38.580 38.460 0.060 0.000 1.213 124 Y HN 0.091 nan 8.280 nan 0.000 0.523 125 S N -0.806 114.671 115.700 -0.373 0.000 2.643 125 S HA 0.868 5.340 4.470 0.004 0.000 0.270 125 S C -0.221 174.245 174.600 -0.223 0.000 1.166 125 S CA -0.478 57.546 58.200 -0.292 0.000 0.815 125 S CB 1.460 64.355 63.200 -0.509 0.000 1.139 125 S HN 1.378 nan 8.310 nan 0.000 0.472 126 G N -0.643 107.999 108.800 -0.263 0.000 2.440 126 G HA2 0.546 4.509 3.960 0.004 0.000 0.684 126 G HA3 0.546 4.509 3.960 0.004 0.000 0.684 126 G C -0.691 173.620 174.900 -0.982 0.000 1.309 126 G CA -0.222 44.569 45.100 -0.516 0.000 0.931 126 G HN 2.224 nan 8.290 nan 0.000 0.612 127 A N -1.050 121.044 122.820 -1.209 0.000 2.577 127 A HA 0.993 5.315 4.320 0.004 0.000 0.297 127 A C 0.632 177.963 177.584 -0.421 0.000 1.060 127 A CA 0.631 52.171 52.037 -0.828 0.000 0.697 127 A CB 1.014 19.789 19.000 -0.374 0.000 1.281 127 A HN 2.584 nan 8.150 nan 0.000 0.402 128 A N 0.643 123.450 122.820 -0.023 0.000 2.209 128 A HA 0.197 4.519 4.320 0.004 0.000 0.212 128 A C 1.734 179.384 177.584 0.111 0.000 1.158 128 A CA 1.897 54.119 52.037 0.308 0.000 0.742 128 A CB -0.557 18.704 19.000 0.435 0.000 0.790 128 A HN 1.796 nan 8.150 nan 0.000 0.472 129 S N -0.594 114.949 115.700 -0.262 0.000 2.575 129 S HA 0.320 4.792 4.470 0.004 0.000 0.215 129 S C 0.506 174.665 174.600 -0.735 0.000 0.966 129 S CA -0.452 57.154 58.200 -0.991 0.000 0.911 129 S CB -0.550 62.007 63.200 -1.071 0.000 0.780 129 S HN 0.388 nan 8.310 nan 0.000 0.514 130 L N 2.102 123.079 121.223 -0.410 0.000 2.467 130 L HA 0.173 4.515 4.340 0.004 0.000 0.270 130 L C 1.207 177.765 176.870 -0.518 0.000 1.205 130 L CA -0.466 54.076 54.840 -0.497 0.000 0.828 130 L CB 0.212 41.877 42.059 -0.657 0.000 1.101 130 L HN 0.054 nan 8.230 nan 0.000 0.479 131 D N 0.887 121.007 120.400 -0.467 0.000 2.149 131 D HA -0.135 4.507 4.640 0.004 0.000 0.198 131 D C 1.942 177.974 176.300 -0.447 0.000 0.990 131 D CA 1.217 55.004 54.000 -0.354 0.000 0.839 131 D CB 0.013 40.639 40.800 -0.291 0.000 0.948 131 D HN 0.499 nan 8.370 nan 0.000 0.460 132 V N -1.385 118.113 119.914 -0.692 0.000 3.305 132 V HA -0.128 3.994 4.120 0.004 0.000 0.269 132 V C 0.930 176.454 176.094 -0.950 0.000 1.157 132 V CA 0.919 62.779 62.300 -0.733 0.000 1.157 132 V CB -1.159 30.188 31.823 -0.793 0.000 0.772 132 V HN 0.069 nan 8.190 nan 0.000 0.498 133 Y N 0.103 119.858 120.300 -0.909 0.000 2.625 133 Y HA 0.443 4.995 4.550 0.003 0.000 0.285 133 Y C 0.826 176.188 175.900 -0.896 0.000 1.168 133 Y CA -1.943 55.268 58.100 -1.482 0.000 1.250 133 Y CB -0.675 37.284 38.460 -0.834 0.000 1.130 133 Y HN 0.219 nan 8.280 nan 0.000 0.526 134 D N 0.838 120.970 120.400 -0.446 0.000 2.346 134 D HA 0.050 4.693 4.640 0.004 0.000 0.260 134 D C 1.358 177.372 176.300 -0.476 0.000 1.252 134 D CA 0.366 54.170 54.000 -0.327 0.000 0.895 134 D CB 1.298 42.042 40.800 -0.094 0.000 1.097 134 D HN 0.500 nan 8.370 nan 0.000 0.489 135 G N 3.920 111.848 108.800 -1.454 0.000 2.848 135 G HA2 -0.181 3.781 3.960 0.004 0.000 0.208 135 G HA3 -0.181 3.781 3.960 0.004 0.000 0.208 135 G C 1.502 175.844 174.900 -0.930 0.000 1.152 135 G CA 0.115 44.500 45.100 -1.192 0.000 0.789 135 G HN 0.601 nan 8.290 nan 0.000 0.531 136 R N -0.856 119.083 120.500 -0.936 0.000 2.148 136 R HA 0.063 4.405 4.340 0.004 0.000 0.227 136 R C 1.598 177.618 176.300 -0.466 0.000 1.103 136 R CA 1.041 56.787 56.100 -0.590 0.000 0.983 136 R CB -0.543 29.417 30.300 -0.566 0.000 0.874 136 R HN 0.337 nan 8.270 nan 0.000 0.451 137 F N 1.284 121.140 119.950 -0.157 0.000 2.219 137 F HA 0.131 4.661 4.527 0.004 0.000 0.294 137 F C 2.217 177.953 175.800 -0.107 0.000 1.086 137 F CA 0.478 58.411 58.000 -0.112 0.000 1.330 137 F CB -0.469 38.456 39.000 -0.125 0.000 1.047 137 F HN -0.157 nan 8.300 nan 0.000 0.495 138 L N 0.146 121.392 121.223 0.040 0.000 2.012 138 L HA -0.239 4.103 4.340 0.004 0.000 0.210 138 L C 2.786 179.656 176.870 0.000 0.000 1.073 138 L CA 1.291 56.112 54.840 -0.031 0.000 0.748 138 L CB -1.006 40.983 42.059 -0.116 0.000 0.891 138 L HN 0.192 nan 8.230 nan 0.000 0.431 139 A N -0.888 121.937 122.820 0.008 0.000 1.865 139 A HA -0.285 4.037 4.320 0.004 0.000 0.217 139 A C 2.291 179.913 177.584 0.063 0.000 1.191 139 A CA 1.908 53.989 52.037 0.073 0.000 0.623 139 A CB -0.646 18.438 19.000 0.140 0.000 0.826 139 A HN 0.425 nan 8.150 nan 0.000 0.444 140 Q N -0.288 119.531 119.800 0.032 0.000 2.016 140 Q HA -0.096 4.247 4.340 0.004 0.000 0.200 140 Q C 2.242 178.268 176.000 0.043 0.000 0.978 140 Q CA 2.142 57.968 55.803 0.039 0.000 0.833 140 Q CB -0.363 28.380 28.738 0.008 0.000 0.895 140 Q HN 0.419 nan 8.270 nan 0.000 0.427 141 V N 1.155 121.095 119.914 0.042 0.000 2.446 141 V HA -0.109 4.014 4.120 0.004 0.000 0.244 141 V C 1.865 177.970 176.094 0.020 0.000 1.039 141 V CA 1.488 63.808 62.300 0.033 0.000 1.045 141 V CB -0.179 31.664 31.823 0.033 0.000 0.681 141 V HN 0.240 nan 8.190 nan 0.000 0.459 142 E N -0.159 120.050 120.200 0.015 0.000 2.472 142 E HA 0.176 4.529 4.350 0.004 0.000 0.196 142 E C 1.734 178.348 176.600 0.023 0.000 1.033 142 E CA 0.772 57.178 56.400 0.009 0.000 0.886 142 E CB 0.472 30.167 29.700 -0.008 0.000 0.944 142 E HN 0.602 nan 8.360 nan 0.000 0.492 143 G N 1.558 110.382 108.800 0.039 0.000 2.147 143 G HA2 -0.296 3.666 3.960 0.004 0.000 0.244 143 G HA3 -0.296 3.666 3.960 0.004 0.000 0.244 143 G C 0.480 175.419 174.900 0.066 0.000 1.005 143 G CA 0.346 45.479 45.100 0.055 0.000 0.713 143 G HN 0.487 nan 8.290 nan 0.000 0.515 144 A N -0.718 122.140 122.820 0.063 0.000 2.351 144 A HA 0.720 5.042 4.320 0.004 0.000 0.257 144 A C 0.522 178.180 177.584 0.125 0.000 1.087 144 A CA 0.091 52.172 52.037 0.072 0.000 0.798 144 A CB 1.179 20.203 19.000 0.039 0.000 1.033 144 A HN 1.131 nan 8.150 nan 0.000 0.488 145 V N 2.814 122.810 119.914 0.136 0.000 2.348 145 V HA 0.313 4.435 4.120 0.004 0.000 0.270 145 V C -0.102 176.118 176.094 0.211 0.000 1.037 145 V CA -0.016 62.394 62.300 0.184 0.000 0.872 145 V CB 0.560 32.483 31.823 0.166 0.000 1.002 145 V HN 0.704 nan 8.190 nan 0.000 0.464 146 L N 6.452 127.852 121.223 0.296 0.000 2.322 146 L HA 0.727 5.069 4.340 0.004 0.000 0.281 146 L C -0.701 176.441 176.870 0.453 0.000 1.014 146 L CA -0.220 54.844 54.840 0.374 0.000 0.815 146 L CB 1.791 44.071 42.059 0.368 0.000 1.247 146 L HN 0.434 nan 8.230 nan 0.000 0.421 147 V N 3.117 123.272 119.914 0.402 0.000 2.604 147 V HA 0.683 4.806 4.120 0.004 0.000 0.305 147 V C -0.463 175.863 176.094 0.387 0.000 1.043 147 V CA -0.479 62.012 62.300 0.320 0.000 0.888 147 V CB 1.868 33.809 31.823 0.197 0.000 0.995 147 V HN 0.827 nan 8.190 nan 0.000 0.429 148 S N 5.533 121.459 115.700 0.377 0.000 2.571 148 S HA 0.833 5.305 4.470 0.004 0.000 0.284 148 S C -0.805 173.948 174.600 0.255 0.000 1.128 148 S CA -0.794 57.646 58.200 0.399 0.000 0.970 148 S CB 2.051 65.618 63.200 0.612 0.000 1.039 148 S HN 0.863 nan 8.310 nan 0.000 0.485 149 M N 1.789 121.496 119.600 0.177 0.000 2.578 149 M HA 0.639 5.121 4.480 0.004 0.000 0.321 149 M C -1.459 175.046 176.300 0.341 0.000 1.182 149 M CA -0.463 54.927 55.300 0.150 0.000 0.965 149 M CB 1.033 33.544 32.600 -0.148 0.000 1.694 149 M HN 0.543 nan 8.290 nan 0.000 0.461 150 N N 2.877 121.835 118.700 0.430 0.000 2.529 150 N HA 0.510 5.252 4.740 0.004 0.000 0.278 150 N C -1.399 174.375 175.510 0.439 0.000 1.146 150 N CA 0.151 53.474 53.050 0.454 0.000 0.980 150 N CB 0.404 39.102 38.487 0.351 0.000 1.124 150 N HN 0.705 nan 8.380 nan 0.000 0.458 151 Y N -1.719 118.745 120.300 0.273 0.000 2.553 151 Y HA 0.571 5.123 4.550 0.004 0.000 0.347 151 Y C -0.108 175.921 175.900 0.214 0.000 1.019 151 Y CA -1.337 56.875 58.100 0.185 0.000 1.032 151 Y CB 0.983 39.479 38.460 0.060 0.000 1.284 151 Y HN 0.194 nan 8.280 nan 0.000 0.466 152 R N 1.932 122.587 120.500 0.258 0.000 2.590 152 R HA 0.510 4.852 4.340 0.004 0.000 0.274 152 R C -0.406 176.074 176.300 0.301 0.000 1.061 152 R CA -0.271 55.942 56.100 0.188 0.000 1.081 152 R CB 0.992 31.357 30.300 0.108 0.000 0.984 152 R HN 0.727 nan 8.270 nan 0.000 0.448 153 V N -0.492 119.635 119.914 0.356 0.000 3.126 153 V HA 0.903 5.025 4.120 0.004 0.000 0.314 153 V C 0.608 177.019 176.094 0.528 0.000 1.138 153 V CA -0.065 62.549 62.300 0.524 0.000 1.034 153 V CB 1.312 33.348 31.823 0.355 0.000 1.075 153 V HN 0.978 nan 8.190 nan 0.000 0.442 154 G N 2.034 111.164 108.800 0.550 0.000 2.552 154 G HA2 -0.254 3.708 3.960 0.004 0.000 0.265 154 G HA3 -0.254 3.708 3.960 0.004 0.000 0.265 154 G C 0.991 175.985 174.900 0.158 0.000 1.234 154 G CA 1.195 46.514 45.100 0.366 0.000 0.944 154 G HN 2.410 nan 8.290 nan 0.000 0.568 155 T N -1.747 112.596 114.554 -0.351 0.000 2.720 155 T HA -0.092 4.260 4.350 0.004 0.000 0.268 155 T C 2.136 176.691 174.700 -0.241 0.000 1.037 155 T CA 2.662 64.332 62.100 -0.717 0.000 1.144 155 T CB -0.412 67.875 68.868 -0.970 0.000 0.864 155 T HN 0.641 nan 8.240 nan 0.000 0.444 156 F N 2.231 122.239 119.950 0.096 0.000 2.171 156 F HA 0.215 4.744 4.527 0.004 0.000 0.300 156 F C 2.804 178.613 175.800 0.016 0.000 1.090 156 F CA 0.787 58.815 58.000 0.047 0.000 1.293 156 F CB -1.076 37.920 39.000 -0.007 0.000 1.013 156 F HN 0.375 nan 8.300 nan 0.000 0.486 157 G N -1.949 106.935 108.800 0.141 0.000 2.545 157 G HA2 -0.024 3.938 3.960 0.004 0.000 0.212 157 G HA3 -0.024 3.938 3.960 0.004 0.000 0.212 157 G C 0.932 175.402 174.900 -0.717 0.000 1.144 157 G CA 0.296 45.219 45.100 -0.295 0.000 0.813 157 G HN 0.346 nan 8.290 nan 0.000 0.531 158 F N -0.605 119.428 119.950 0.137 0.000 2.856 158 F HA 0.443 4.973 4.527 0.004 0.000 0.338 158 F C 0.415 176.291 175.800 0.126 0.000 1.100 158 F CA -0.942 57.122 58.000 0.106 0.000 1.150 158 F CB 0.450 39.521 39.000 0.118 0.000 1.101 158 F HN -0.080 nan 8.300 nan 0.000 0.548 159 L N 1.984 123.267 121.223 0.100 0.000 2.410 159 L HA 0.637 4.979 4.340 0.004 0.000 0.273 159 L C -0.145 176.698 176.870 -0.044 0.000 1.152 159 L CA -0.080 54.743 54.840 -0.029 0.000 0.855 159 L CB 0.590 42.329 42.059 -0.533 0.000 1.129 159 L HN 0.092 nan 8.230 nan 0.000 0.463 160 A N 6.340 129.174 122.820 0.024 0.000 2.398 160 A HA 0.650 4.972 4.320 0.004 0.000 0.301 160 A C -1.169 176.399 177.584 -0.027 0.000 1.041 160 A CA -0.578 51.455 52.037 -0.007 0.000 0.711 160 A CB 1.303 20.328 19.000 0.042 0.000 1.240 160 A HN 0.715 nan 8.150 nan 0.000 0.420 161 L N 3.433 124.626 121.223 -0.050 0.000 2.335 161 L HA 0.333 4.676 4.340 0.004 0.000 0.268 161 L C -2.465 174.395 176.870 -0.016 0.000 1.037 161 L CA -1.831 52.987 54.840 -0.036 0.000 0.895 161 L CB 1.499 43.525 42.059 -0.055 0.000 1.266 161 L HN 0.405 nan 8.230 nan 0.000 0.439 162 P HA 0.102 nan 4.420 nan 0.000 0.265 162 P C 0.951 178.252 177.300 0.003 0.000 1.193 162 P CA 0.624 63.725 63.100 0.003 0.000 0.765 162 P CB 1.052 32.754 31.700 0.003 0.000 0.823 163 G N 1.800 110.606 108.800 0.009 0.000 2.241 163 G HA2 -0.251 3.712 3.960 0.004 0.000 0.244 163 G HA3 -0.251 3.712 3.960 0.004 0.000 0.244 163 G C 0.434 175.339 174.900 0.009 0.000 0.998 163 G CA 0.265 45.371 45.100 0.009 0.000 0.621 163 G HN 0.797 nan 8.290 nan 0.000 0.519 164 S N -0.027 115.677 115.700 0.005 0.000 2.593 164 S HA 0.587 5.060 4.470 0.004 0.000 0.269 164 S C 1.236 175.846 174.600 0.016 0.000 1.334 164 S CA 0.464 58.668 58.200 0.006 0.000 1.015 164 S CB 1.967 65.165 63.200 -0.003 0.000 0.912 164 S HN 0.458 nan 8.310 nan 0.000 0.541 165 R N 0.386 120.897 120.500 0.019 0.000 2.100 165 R HA 0.018 4.360 4.340 0.004 0.000 0.220 165 R C 1.272 177.592 176.300 0.035 0.000 1.091 165 R CA 1.179 57.294 56.100 0.026 0.000 0.986 165 R CB -0.231 30.083 30.300 0.024 0.000 0.888 165 R HN 0.829 nan 8.270 nan 0.000 0.444 166 E N -0.498 119.723 120.200 0.035 0.000 2.318 166 E HA 0.098 4.451 4.350 0.004 0.000 0.193 166 E C -0.060 176.587 176.600 0.079 0.000 0.998 166 E CA 0.728 57.161 56.400 0.056 0.000 0.859 166 E CB 0.731 30.463 29.700 0.053 0.000 0.812 166 E HN 0.227 nan 8.360 nan 0.000 0.492 167 A N 1.192 124.035 122.820 0.039 0.000 3.156 167 A HA 0.299 4.622 4.320 0.004 0.000 0.311 167 A C -2.223 175.365 177.584 0.006 0.000 1.129 167 A CA -0.972 51.079 52.037 0.022 0.000 0.809 167 A CB 0.582 19.521 19.000 -0.100 0.000 1.257 167 A HN -0.072 nan 8.150 nan 0.000 0.491 168 P HA 0.219 nan 4.420 nan 0.000 0.240 168 P C 0.828 178.144 177.300 0.027 0.000 1.190 168 P CA 1.429 64.546 63.100 0.027 0.000 0.781 168 P CB 0.343 32.067 31.700 0.040 0.000 0.931 169 G N 0.953 109.766 108.800 0.022 0.000 2.699 169 G HA2 -0.164 3.798 3.960 0.004 0.000 0.686 169 G HA3 -0.164 3.798 3.960 0.004 0.000 0.686 169 G C -0.103 174.793 174.900 -0.007 0.000 1.301 169 G CA -0.307 44.807 45.100 0.024 0.000 0.816 169 G HN 0.103 nan 8.290 nan 0.000 0.595 170 N N -2.387 116.303 118.700 -0.017 0.000 2.778 170 N HA -0.284 4.459 4.740 0.004 0.000 0.249 170 N C 1.897 177.261 175.510 -0.244 0.000 1.069 170 N CA 2.448 55.427 53.050 -0.117 0.000 0.831 170 N CB -1.647 36.727 38.487 -0.188 0.000 1.142 170 N HN 1.910 nan 8.380 nan 0.000 0.573 171 V N -2.665 117.105 119.914 -0.241 0.000 2.626 171 V HA 0.022 4.145 4.120 0.004 0.000 0.252 171 V C 2.326 178.284 176.094 -0.226 0.000 1.067 171 V CA 2.269 64.472 62.300 -0.161 0.000 1.081 171 V CB -0.901 30.876 31.823 -0.076 0.000 0.686 171 V HN 0.266 nan 8.190 nan 0.000 0.468 172 G N 0.479 108.946 108.800 -0.555 0.000 2.422 172 G HA2 -0.158 3.804 3.960 0.004 0.000 0.218 172 G HA3 -0.158 3.804 3.960 0.004 0.000 0.218 172 G C 1.551 176.403 174.900 -0.079 0.000 1.146 172 G CA 1.195 46.082 45.100 -0.354 0.000 0.769 172 G HN 0.539 nan 8.290 nan 0.000 0.547 173 L N -0.195 120.935 121.223 -0.156 0.000 2.093 173 L HA 0.070 4.413 4.340 0.004 0.000 0.208 173 L C 2.839 179.724 176.870 0.025 0.000 1.085 173 L CA 0.369 55.098 54.840 -0.185 0.000 0.755 173 L CB -0.278 41.356 42.059 -0.707 0.000 0.904 173 L HN 0.186 nan 8.230 nan 0.000 0.435 174 L N -0.596 120.648 121.223 0.034 0.000 2.093 174 L HA -0.211 4.131 4.340 0.004 0.000 0.208 174 L C 2.208 179.194 176.870 0.194 0.000 1.085 174 L CA 0.919 55.871 54.840 0.188 0.000 0.755 174 L CB -0.639 41.507 42.059 0.144 0.000 0.904 174 L HN 0.283 nan 8.230 nan 0.000 0.435 175 D N -0.003 120.496 120.400 0.166 0.000 2.104 175 D HA -0.215 4.428 4.640 0.004 0.000 0.194 175 D C 2.269 178.736 176.300 0.277 0.000 0.994 175 D CA 1.238 55.415 54.000 0.295 0.000 0.830 175 D CB -0.217 40.763 40.800 0.300 0.000 0.959 175 D HN 0.391 nan 8.370 nan 0.000 0.452 176 Q N 0.136 120.024 119.800 0.145 0.000 2.061 176 Q HA -0.155 4.188 4.340 0.004 0.000 0.204 176 Q C 2.307 178.311 176.000 0.006 0.000 0.984 176 Q CA 1.200 57.014 55.803 0.017 0.000 0.846 176 Q CB -0.094 28.650 28.738 0.010 0.000 0.902 176 Q HN 0.197 nan 8.270 nan 0.000 0.421 177 R N 0.465 121.067 120.500 0.170 0.000 2.091 177 R HA -0.194 4.148 4.340 0.004 0.000 0.238 177 R C 2.187 178.550 176.300 0.106 0.000 1.136 177 R CA 1.165 57.356 56.100 0.152 0.000 0.959 177 R CB -0.267 30.226 30.300 0.322 0.000 0.856 177 R HN 0.217 nan 8.270 nan 0.000 0.437 178 L N 0.790 122.110 121.223 0.161 0.000 2.046 178 L HA -0.070 4.273 4.340 0.004 0.000 0.208 178 L C 2.283 179.227 176.870 0.123 0.000 1.077 178 L CA 2.110 57.077 54.840 0.211 0.000 0.747 178 L CB -0.787 41.488 42.059 0.360 0.000 0.896 178 L HN 0.282 nan 8.230 nan 0.000 0.432 179 A N -0.705 121.999 122.820 -0.193 0.000 1.933 179 A HA -0.167 4.155 4.320 0.004 0.000 0.218 179 A C 2.230 179.774 177.584 -0.067 0.000 1.175 179 A CA 1.889 53.647 52.037 -0.465 0.000 0.628 179 A CB -0.787 17.701 19.000 -0.853 0.000 0.814 179 A HN 0.506 nan 8.150 nan 0.000 0.444 180 L N -1.309 119.889 121.223 -0.042 0.000 2.093 180 L HA -0.218 4.125 4.340 0.004 0.000 0.208 180 L C 2.814 179.745 176.870 0.102 0.000 1.085 180 L CA 1.470 56.323 54.840 0.022 0.000 0.755 180 L CB -0.695 41.338 42.059 -0.044 0.000 0.904 180 L HN 0.467 nan 8.230 nan 0.000 0.435 181 Q N -0.874 118.995 119.800 0.116 0.000 2.079 181 Q HA -0.250 4.092 4.340 0.004 0.000 0.200 181 Q C 2.047 178.150 176.000 0.171 0.000 0.974 181 Q CA 1.967 57.847 55.803 0.129 0.000 0.840 181 Q CB -0.243 28.575 28.738 0.133 0.000 0.898 181 Q HN 0.520 nan 8.270 nan 0.000 0.430 182 W N 0.174 121.497 121.300 0.038 0.000 2.338 182 W HA -0.244 4.419 4.660 0.003 0.000 0.304 182 W C 1.812 178.365 176.519 0.058 0.000 1.212 182 W CA 1.377 58.760 57.345 0.062 0.000 1.264 182 W CB -0.146 29.353 29.460 0.065 0.000 1.142 182 W HN -0.125 nan 8.180 nan 0.000 0.512 183 V N 0.871 121.036 119.914 0.419 0.000 2.287 183 V HA -0.373 3.750 4.120 0.004 0.000 0.248 183 V C 2.577 178.711 176.094 0.065 0.000 1.053 183 V CA 2.152 64.613 62.300 0.268 0.000 1.027 183 V CB -1.137 30.843 31.823 0.262 0.000 0.646 183 V HN 0.207 nan 8.190 nan 0.000 0.447 184 Q N -0.205 119.637 119.800 0.071 0.000 2.077 184 Q HA -0.281 4.061 4.340 0.004 0.000 0.206 184 Q C 2.264 178.244 176.000 -0.034 0.000 0.989 184 Q CA 2.315 58.140 55.803 0.036 0.000 0.853 184 Q CB -0.367 28.399 28.738 0.045 0.000 0.907 184 Q HN 0.821 nan 8.270 nan 0.000 0.418 185 E N -0.347 119.797 120.200 -0.094 0.000 2.152 185 E HA -0.086 4.267 4.350 0.004 0.000 0.192 185 E C 1.146 177.593 176.600 -0.255 0.000 0.983 185 E CA 0.849 57.153 56.400 -0.159 0.000 0.818 185 E CB 0.286 29.885 29.700 -0.168 0.000 0.758 185 E HN 0.280 nan 8.360 nan 0.000 0.467 186 N N -0.276 118.172 118.700 -0.421 0.000 2.257 186 N HA 0.002 4.744 4.740 0.004 0.000 0.200 186 N C 1.353 176.733 175.510 -0.217 0.000 1.163 186 N CA 0.043 52.782 53.050 -0.517 0.000 0.891 186 N CB 0.382 38.140 38.487 -1.215 0.000 1.067 186 N HN 0.136 nan 8.380 nan 0.000 0.497 187 I N 2.285 122.805 120.570 -0.083 0.000 2.614 187 I HA -0.058 4.115 4.170 0.004 0.000 0.258 187 I C 2.101 178.327 176.117 0.181 0.000 1.189 187 I CA 0.493 61.892 61.300 0.165 0.000 1.462 187 I CB -0.222 37.867 38.000 0.149 0.000 1.092 187 I HN 0.038 nan 8.210 nan 0.000 0.442 188 A N 0.265 123.115 122.820 0.050 0.000 2.019 188 A HA -0.113 4.209 4.320 0.004 0.000 0.219 188 A C 2.466 180.036 177.584 -0.022 0.000 1.164 188 A CA 1.522 53.570 52.037 0.018 0.000 0.644 188 A CB -1.016 17.971 19.000 -0.021 0.000 0.805 188 A HN 0.467 nan 8.150 nan 0.000 0.449 189 A N -1.400 121.363 122.820 -0.094 0.000 2.070 189 A HA 0.080 4.402 4.320 0.004 0.000 0.220 189 A C 1.555 178.896 177.584 -0.405 0.000 1.159 189 A CA 1.173 53.038 52.037 -0.287 0.000 0.656 189 A CB -0.607 18.124 19.000 -0.448 0.000 0.800 189 A HN 0.505 nan 8.150 nan 0.000 0.453 190 F N -1.290 118.612 119.950 -0.080 0.000 2.727 190 F HA 0.380 4.909 4.527 0.004 0.000 0.302 190 F C 1.773 177.580 175.800 0.011 0.000 1.097 190 F CA 0.548 58.518 58.000 -0.050 0.000 1.330 190 F CB 0.276 39.258 39.000 -0.030 0.000 1.084 190 F HN 0.324 nan 8.300 nan 0.000 0.578 191 G N 0.267 109.149 108.800 0.136 0.000 2.157 191 G HA2 -0.171 3.791 3.960 0.004 0.000 0.239 191 G HA3 -0.171 3.791 3.960 0.004 0.000 0.239 191 G C 0.607 175.571 174.900 0.108 0.000 0.982 191 G CA -0.299 44.859 45.100 0.096 0.000 0.650 191 G HN 0.712 nan 8.290 nan 0.000 0.527 192 G N -0.500 108.385 108.800 0.142 0.000 2.476 192 G HA2 0.471 4.433 3.960 0.004 0.000 0.269 192 G HA3 0.471 4.433 3.960 0.004 0.000 0.269 192 G C -0.661 174.284 174.900 0.075 0.000 1.195 192 G CA 0.246 45.416 45.100 0.117 0.000 0.843 192 G HN 0.207 nan 8.290 nan 0.000 0.545 193 D N 1.497 121.931 120.400 0.055 0.000 2.428 193 D HA 0.261 4.903 4.640 0.004 0.000 0.221 193 D C -1.113 175.208 176.300 0.035 0.000 1.123 193 D CA -2.338 51.676 54.000 0.024 0.000 0.869 193 D CB 1.809 42.605 40.800 -0.007 0.000 1.032 193 D HN 0.055 nan 8.370 nan 0.000 0.506 194 P HA -0.079 nan 4.420 nan 0.000 0.230 194 P C 1.097 178.468 177.300 0.118 0.000 1.158 194 P CA 0.655 63.807 63.100 0.086 0.000 0.769 194 P CB 0.157 31.894 31.700 0.062 0.000 0.807 195 M N -1.218 118.380 119.600 -0.004 0.000 2.494 195 M HA 0.103 4.585 4.480 0.004 0.000 0.232 195 M C 0.606 176.540 176.300 -0.610 0.000 1.137 195 M CA 0.397 55.592 55.300 -0.175 0.000 1.012 195 M CB 0.146 32.677 32.600 -0.116 0.000 1.567 195 M HN -0.173 nan 8.290 nan 0.000 0.486 196 S N 1.074 116.584 115.700 -0.317 0.000 2.383 196 S HA 0.446 4.918 4.470 0.004 0.000 0.196 196 S C -1.032 173.582 174.600 0.024 0.000 1.364 196 S CA -0.524 57.514 58.200 -0.270 0.000 1.212 196 S CB 0.538 63.638 63.200 -0.167 0.000 1.171 196 S HN 0.021 nan 8.310 nan 0.000 0.456 197 V N 4.049 124.132 119.914 0.282 0.000 2.409 197 V HA 0.551 4.674 4.120 0.004 0.000 0.291 197 V C 0.012 176.300 176.094 0.324 0.000 1.020 197 V CA -0.501 61.985 62.300 0.310 0.000 0.848 197 V CB 1.832 33.864 31.823 0.348 0.000 0.990 197 V HN 0.727 nan 8.190 nan 0.000 0.430 198 T N 6.506 121.190 114.554 0.217 0.000 2.770 198 T HA 0.588 4.940 4.350 0.004 0.000 0.283 198 T C -0.209 174.624 174.700 0.221 0.000 0.988 198 T CA -0.337 61.889 62.100 0.209 0.000 0.957 198 T CB 0.857 69.797 68.868 0.119 0.000 0.930 198 T HN 0.349 nan 8.240 nan 0.000 0.443 199 L N 4.905 126.217 121.223 0.149 0.000 2.326 199 L HA 0.665 5.008 4.340 0.004 0.000 0.278 199 L C -0.370 176.696 176.870 0.328 0.000 1.092 199 L CA -0.771 54.135 54.840 0.110 0.000 0.810 199 L CB 0.332 42.245 42.059 -0.245 0.000 1.153 199 L HN 0.626 nan 8.230 nan 0.000 0.439 200 F N 0.448 120.458 119.950 0.100 0.000 2.613 200 F HA 0.967 5.496 4.527 0.004 0.000 0.310 200 F C -0.290 175.501 175.800 -0.015 0.000 1.085 200 F CA -1.387 56.718 58.000 0.175 0.000 0.945 200 F CB 1.625 40.870 39.000 0.408 0.000 1.298 200 F HN 0.492 nan 8.300 nan 0.000 0.455 201 G N 0.914 109.599 108.800 -0.193 0.000 2.523 201 G HA2 0.481 4.443 3.960 0.004 0.000 0.291 201 G HA3 0.481 4.443 3.960 0.004 0.000 0.291 201 G C -2.571 172.123 174.900 -0.343 0.000 1.450 201 G CA -0.805 43.773 45.100 -0.871 0.000 0.790 201 G HN 0.889 nan 8.290 nan 0.000 0.496 202 E N 0.174 120.129 120.200 -0.408 0.000 2.266 202 E HA 0.631 4.984 4.350 0.004 0.000 0.268 202 E C 0.603 177.140 176.600 -0.106 0.000 0.879 202 E CA 0.342 56.706 56.400 -0.060 0.000 0.762 202 E CB 2.197 31.979 29.700 0.137 0.000 1.199 202 E HN 1.036 nan 8.360 nan 0.000 0.422 203 S N 2.814 118.531 115.700 0.028 0.000 4.116 203 S HA -0.392 4.080 4.470 0.004 0.000 0.623 203 S C 1.469 176.163 174.600 0.158 0.000 1.933 203 S CA 2.130 60.422 58.200 0.153 0.000 4.224 203 S CB -1.647 61.568 63.200 0.025 0.000 0.208 203 S HN 0.995 nan 8.310 nan 0.000 0.527 204 A N 1.153 123.917 122.820 -0.093 0.000 1.978 204 A HA 0.157 4.480 4.320 0.004 0.000 0.220 204 A C 2.550 179.848 177.584 -0.476 0.000 1.170 204 A CA 2.491 54.264 52.037 -0.440 0.000 0.636 204 A CB -1.635 16.692 19.000 -1.121 0.000 0.810 204 A HN 1.661 nan 8.150 nan 0.000 0.448 205 G N -0.470 108.106 108.800 -0.373 0.000 2.418 205 G HA2 -0.010 3.953 3.960 0.004 0.000 0.217 205 G HA3 -0.010 3.953 3.960 0.004 0.000 0.217 205 G C 1.739 176.459 174.900 -0.301 0.000 1.158 205 G CA 1.399 46.239 45.100 -0.433 0.000 0.771 205 G HN 0.784 nan 8.290 nan 0.000 0.545 206 A N 1.204 123.921 122.820 -0.171 0.000 1.902 206 A HA 0.286 4.608 4.320 0.004 0.000 0.217 206 A C 2.835 180.402 177.584 -0.029 0.000 1.181 206 A CA 2.214 54.219 52.037 -0.054 0.000 0.623 206 A CB -0.841 18.188 19.000 0.048 0.000 0.818 206 A HN 0.806 nan 8.150 nan 0.000 0.443 207 A N -0.355 122.469 122.820 0.007 0.000 1.908 207 A HA -0.118 4.205 4.320 0.004 0.000 0.218 207 A C 2.449 180.039 177.584 0.011 0.000 1.181 207 A CA 2.218 54.254 52.037 -0.003 0.000 0.627 207 A CB -0.945 18.082 19.000 0.044 0.000 0.818 207 A HN 0.465 nan 8.150 nan 0.000 0.445 208 S N -0.419 115.286 115.700 0.008 0.000 2.359 208 S HA -0.156 4.316 4.470 0.004 0.000 0.224 208 S C 1.910 176.481 174.600 -0.050 0.000 1.035 208 S CA 1.481 59.650 58.200 -0.051 0.000 1.018 208 S CB -0.636 62.471 63.200 -0.155 0.000 0.876 208 S HN 0.360 nan 8.310 nan 0.000 0.448 209 V N 1.783 121.676 119.914 -0.035 0.000 2.282 209 V HA -0.218 3.904 4.120 0.004 0.000 0.249 209 V C 2.628 178.726 176.094 0.006 0.000 1.057 209 V CA 2.062 64.350 62.300 -0.020 0.000 1.032 209 V CB -1.569 30.215 31.823 -0.065 0.000 0.645 209 V HN 0.610 nan 8.190 nan 0.000 0.447 210 G N -0.990 107.804 108.800 -0.010 0.000 2.422 210 G HA2 -0.267 3.696 3.960 0.004 0.000 0.218 210 G HA3 -0.267 3.696 3.960 0.004 0.000 0.218 210 G C 1.609 176.525 174.900 0.026 0.000 1.146 210 G CA 1.063 46.161 45.100 -0.003 0.000 0.769 210 G HN 0.457 nan 8.290 nan 0.000 0.547 211 M N -0.109 119.487 119.600 -0.006 0.000 2.229 211 M HA 0.003 4.485 4.480 0.004 0.000 0.264 211 M C 2.298 178.659 176.300 0.102 0.000 1.063 211 M CA 0.838 56.162 55.300 0.039 0.000 1.114 211 M CB -0.273 32.315 32.600 -0.022 0.000 1.387 211 M HN 0.210 nan 8.290 nan 0.000 0.420 212 H N 0.065 119.256 119.070 0.202 0.000 2.389 212 H HA -0.020 4.538 4.556 0.004 0.000 0.299 212 H C 2.127 177.648 175.328 0.322 0.000 1.081 212 H CA 1.441 57.620 56.048 0.220 0.000 1.345 212 H CB -0.350 29.444 29.762 0.053 0.000 1.393 212 H HN 0.417 nan 8.280 nan 0.000 0.520 213 I N 0.684 121.507 120.570 0.421 0.000 2.264 213 I HA -0.247 3.925 4.170 0.004 0.000 0.248 213 I C 1.907 178.195 176.117 0.285 0.000 1.111 213 I CA 1.109 62.659 61.300 0.416 0.000 1.382 213 I CB -0.120 38.041 38.000 0.269 0.000 1.060 213 I HN 0.112 nan 8.210 nan 0.000 0.418 214 L N -0.896 120.448 121.223 0.201 0.000 2.592 214 L HA 0.102 4.445 4.340 0.004 0.000 0.227 214 L C 0.929 177.842 176.870 0.073 0.000 1.127 214 L CA 0.038 54.977 54.840 0.165 0.000 0.884 214 L CB 0.036 42.171 42.059 0.126 0.000 1.065 214 L HN 0.018 nan 8.230 nan 0.000 0.457 215 S N -0.284 115.425 115.700 0.015 0.000 2.474 215 S HA 0.256 4.729 4.470 0.004 0.000 0.321 215 S C 0.597 175.121 174.600 -0.128 0.000 1.080 215 S CA -0.614 57.477 58.200 -0.182 0.000 1.106 215 S CB 1.498 64.312 63.200 -0.643 0.000 0.984 215 S HN 0.109 nan 8.310 nan 0.000 0.464 216 L N 7.579 128.732 121.223 -0.118 0.000 2.017 216 L HA 0.138 4.481 4.340 0.004 0.000 0.208 216 L C -1.071 175.752 176.870 -0.080 0.000 1.073 216 L CA 2.027 56.818 54.840 -0.081 0.000 0.745 216 L CB -1.092 40.922 42.059 -0.075 0.000 0.894 216 L HN 0.492 nan 8.230 nan 0.000 0.432 217 P HA -0.106 nan 4.420 nan 0.000 0.219 217 P C 1.635 178.924 177.300 -0.019 0.000 1.146 217 P CA 1.438 64.499 63.100 -0.065 0.000 0.808 217 P CB -0.003 31.650 31.700 -0.079 0.000 0.779 218 S N -0.934 114.773 115.700 0.012 0.000 2.436 218 S HA -0.058 4.414 4.470 0.004 0.000 0.228 218 S C 1.945 176.645 174.600 0.166 0.000 1.014 218 S CA 0.587 58.889 58.200 0.170 0.000 0.950 218 S CB -0.417 63.023 63.200 0.400 0.000 0.784 218 S HN 0.026 nan 8.310 nan 0.000 0.504 219 R N 2.389 122.895 120.500 0.010 0.000 2.189 219 R HA 0.026 4.369 4.340 0.004 0.000 0.223 219 R C 2.015 178.094 176.300 -0.368 0.000 1.092 219 R CA 1.370 57.322 56.100 -0.247 0.000 0.989 219 R CB -0.581 29.623 30.300 -0.160 0.000 0.876 219 R HN 0.436 nan 8.270 nan 0.000 0.457 220 S N -0.874 114.711 115.700 -0.191 0.000 2.607 220 S HA 0.019 4.491 4.470 0.004 0.000 0.224 220 S C 1.272 175.768 174.600 -0.175 0.000 0.969 220 S CA 0.407 58.499 58.200 -0.180 0.000 0.927 220 S CB -0.093 63.053 63.200 -0.091 0.000 0.772 220 S HN 0.338 nan 8.310 nan 0.000 0.533 221 L N 0.367 121.519 121.223 -0.120 0.000 2.766 221 L HA 0.512 4.854 4.340 0.004 0.000 0.242 221 L C -0.089 176.840 176.870 0.098 0.000 1.136 221 L CA -0.437 54.414 54.840 0.018 0.000 0.933 221 L CB 0.019 42.140 42.059 0.104 0.000 1.241 221 L HN 0.496 nan 8.230 nan 0.000 0.522 222 F N -4.252 115.526 119.950 -0.287 0.000 2.773 222 F HA 0.440 4.968 4.527 0.003 0.000 0.314 222 F C 0.284 175.766 175.800 -0.530 0.000 1.160 222 F CA -1.017 56.804 58.000 -0.298 0.000 0.920 222 F CB 0.782 39.747 39.000 -0.059 0.000 1.323 222 F HN -0.150 nan 8.300 nan 0.000 0.457 223 H N -0.664 118.471 119.070 0.110 0.000 3.091 223 H HA 0.458 5.016 4.556 0.003 0.000 0.249 223 H C -0.111 175.263 175.328 0.077 0.000 0.985 223 H CA -0.066 55.966 56.048 -0.026 0.000 1.177 223 H CB 1.077 30.826 29.762 -0.021 0.000 1.456 223 H HN 0.408 nan 8.280 nan 0.000 0.467 224 R N 0.209 120.929 120.500 0.367 0.000 2.799 224 R HA 0.717 5.059 4.340 0.004 0.000 0.270 224 R C -1.447 175.111 176.300 0.431 0.000 1.010 224 R CA -0.659 55.618 56.100 0.295 0.000 0.916 224 R CB 2.892 33.166 30.300 -0.044 0.000 1.228 224 R HN 0.145 nan 8.270 nan 0.000 0.469 225 A N 0.986 124.067 122.820 0.435 0.000 2.515 225 A HA 0.690 5.012 4.320 0.004 0.000 0.298 225 A C -1.480 176.253 177.584 0.249 0.000 1.059 225 A CA -0.606 51.607 52.037 0.293 0.000 0.698 225 A CB 1.952 21.077 19.000 0.208 0.000 1.289 225 A HN 0.304 nan 8.150 nan 0.000 0.404 226 V N 2.173 122.196 119.914 0.182 0.000 2.483 226 V HA 0.466 4.588 4.120 0.004 0.000 0.297 226 V C -1.176 175.014 176.094 0.160 0.000 1.027 226 V CA -0.295 62.060 62.300 0.091 0.000 0.855 226 V CB 1.196 33.081 31.823 0.103 0.000 0.995 226 V HN 0.681 nan 8.190 nan 0.000 0.424 227 L N 5.276 126.562 121.223 0.105 0.000 2.294 227 L HA 0.532 4.874 4.340 0.004 0.000 0.283 227 L C 0.074 177.050 176.870 0.177 0.000 1.015 227 L CA 0.071 54.975 54.840 0.106 0.000 0.831 227 L CB 1.449 43.526 42.059 0.030 0.000 1.217 227 L HN 0.617 nan 8.230 nan 0.000 0.420 228 Q N 2.101 122.051 119.800 0.250 0.000 2.372 228 Q HA 0.421 4.763 4.340 0.004 0.000 0.259 228 Q C 0.122 176.262 176.000 0.232 0.000 0.993 228 Q CA -0.489 55.521 55.803 0.345 0.000 0.854 228 Q CB 1.284 30.303 28.738 0.469 0.000 1.231 228 Q HN 0.647 nan 8.270 nan 0.000 0.462 229 S N 1.040 116.867 115.700 0.213 0.000 3.614 229 S HA -0.173 4.299 4.470 0.004 0.000 0.360 229 S C 0.049 174.859 174.600 0.350 0.000 1.023 229 S CA 0.567 58.929 58.200 0.269 0.000 1.114 229 S CB -1.160 62.216 63.200 0.294 0.000 0.907 229 S HN 0.982 nan 8.310 nan 0.000 0.470 230 G N -0.569 108.384 108.800 0.255 0.000 2.579 230 G HA2 0.677 4.640 3.960 0.004 0.000 0.292 230 G HA3 0.677 4.640 3.960 0.004 0.000 0.292 230 G C -0.937 174.029 174.900 0.110 0.000 1.484 230 G CA 0.217 45.512 45.100 0.325 0.000 0.813 230 G HN 1.030 nan 8.290 nan 0.000 0.515 231 T N -1.695 112.852 114.554 -0.011 0.000 2.853 231 T HA 0.724 5.077 4.350 0.004 0.000 0.311 231 T C -2.422 172.124 174.700 -0.256 0.000 1.307 231 T CA -1.145 60.876 62.100 -0.131 0.000 1.019 231 T CB 2.904 71.685 68.868 -0.144 0.000 1.264 231 T HN 0.305 nan 8.240 nan 0.000 0.497 232 P HA -0.008 nan 4.420 nan 0.000 0.218 232 P C 0.306 177.452 177.300 -0.256 0.000 1.152 232 P CA 0.679 63.659 63.100 -0.200 0.000 0.826 232 P CB -0.132 31.502 31.700 -0.110 0.000 0.790 233 N N 0.784 119.347 118.700 -0.227 0.000 2.354 233 N HA 0.293 5.035 4.740 0.004 0.000 0.246 233 N C 0.794 176.101 175.510 -0.339 0.000 1.285 233 N CA 0.686 53.599 53.050 -0.227 0.000 0.925 233 N CB 0.146 38.540 38.487 -0.155 0.000 1.174 233 N HN 0.236 nan 8.380 nan 0.000 0.478 234 G N -0.645 107.972 108.800 -0.305 0.000 2.525 234 G HA2 -0.110 3.853 3.960 0.004 0.000 0.685 234 G HA3 -0.110 3.853 3.960 0.004 0.000 0.685 234 G C -2.227 172.439 174.900 -0.390 0.000 1.290 234 G CA -0.246 44.625 45.100 -0.380 0.000 0.915 234 G HN 0.529 nan 8.290 nan 0.000 0.548 235 P HA 0.103 nan 4.420 nan 0.000 0.236 235 P C 1.390 178.625 177.300 -0.109 0.000 1.177 235 P CA 2.030 64.991 63.100 -0.231 0.000 0.773 235 P CB -0.042 31.466 31.700 -0.321 0.000 0.878 236 W N -1.762 119.442 121.300 -0.160 0.000 2.835 236 W HA 0.563 5.224 4.660 0.003 0.000 0.278 236 W C 1.130 177.715 176.519 0.111 0.000 1.075 236 W CA 0.437 57.770 57.345 -0.021 0.000 1.439 236 W CB -0.716 28.769 29.460 0.042 0.000 0.927 236 W HN -0.174 nan 8.180 nan 0.000 0.604 237 A N 1.998 124.550 122.820 -0.447 0.000 2.016 237 A HA 0.118 4.440 4.320 0.004 0.000 0.217 237 A C 1.184 178.627 177.584 -0.236 0.000 1.162 237 A CA 1.879 53.703 52.037 -0.354 0.000 0.662 237 A CB -0.822 17.738 19.000 -0.733 0.000 0.812 237 A HN 0.231 nan 8.150 nan 0.000 0.450 238 T N -2.935 111.490 114.554 -0.215 0.000 2.901 238 T HA 0.623 4.975 4.350 0.004 0.000 0.293 238 T C -0.623 174.001 174.700 -0.126 0.000 1.084 238 T CA -0.130 61.855 62.100 -0.192 0.000 1.008 238 T CB 1.479 70.244 68.868 -0.171 0.000 1.170 238 T HN 0.884 nan 8.240 nan 0.000 0.509 239 V N -1.104 118.744 119.914 -0.110 0.000 3.040 239 V HA 0.893 5.016 4.120 0.004 0.000 0.312 239 V C 0.323 176.378 176.094 -0.065 0.000 1.115 239 V CA -0.885 61.367 62.300 -0.080 0.000 0.998 239 V CB 1.343 33.119 31.823 -0.079 0.000 1.042 239 V HN 1.363 nan 8.190 nan 0.000 0.433 240 S N 1.998 117.667 115.700 -0.053 0.000 2.589 240 S HA 0.511 4.983 4.470 0.004 0.000 0.265 240 S C 1.483 176.064 174.600 -0.032 0.000 1.342 240 S CA 0.150 58.326 58.200 -0.039 0.000 1.005 240 S CB 1.072 64.251 63.200 -0.035 0.000 0.909 240 S HN 2.005 nan 8.310 nan 0.000 0.555 241 A N 2.285 125.092 122.820 -0.022 0.000 1.892 241 A HA 0.038 4.361 4.320 0.004 0.000 0.218 241 A C 2.244 179.819 177.584 -0.017 0.000 1.188 241 A CA 1.981 54.010 52.037 -0.014 0.000 0.631 241 A CB -1.893 17.102 19.000 -0.008 0.000 0.822 241 A HN 1.199 nan 8.150 nan 0.000 0.447 242 G N -0.791 107.998 108.800 -0.020 0.000 2.408 242 G HA2 -0.195 3.767 3.960 0.004 0.000 0.217 242 G HA3 -0.195 3.767 3.960 0.004 0.000 0.217 242 G C 1.475 176.359 174.900 -0.026 0.000 1.150 242 G CA 1.355 46.443 45.100 -0.020 0.000 0.776 242 G HN 0.584 nan 8.290 nan 0.000 0.542 243 E N 1.023 121.202 120.200 -0.034 0.000 2.072 243 E HA 0.114 4.466 4.350 0.004 0.000 0.190 243 E C 2.667 179.233 176.600 -0.058 0.000 0.982 243 E CA 1.306 57.678 56.400 -0.048 0.000 0.803 243 E CB -0.561 29.105 29.700 -0.055 0.000 0.755 243 E HN 0.243 nan 8.360 nan 0.000 0.453 244 A N 1.114 123.906 122.820 -0.046 0.000 1.908 244 A HA -0.245 4.077 4.320 0.004 0.000 0.218 244 A C 2.321 179.903 177.584 -0.004 0.000 1.181 244 A CA 1.997 54.018 52.037 -0.027 0.000 0.627 244 A CB -0.695 18.306 19.000 0.001 0.000 0.818 244 A HN 0.297 nan 8.150 nan 0.000 0.445 245 R N -0.795 119.700 120.500 -0.009 0.000 2.096 245 R HA -0.108 4.235 4.340 0.004 0.000 0.235 245 R C 2.458 178.753 176.300 -0.007 0.000 1.127 245 R CA 1.407 57.503 56.100 -0.007 0.000 0.968 245 R CB -0.295 29.998 30.300 -0.012 0.000 0.861 245 R HN 0.508 nan 8.270 nan 0.000 0.440 246 R N 0.524 121.013 120.500 -0.018 0.000 2.073 246 R HA -0.110 4.232 4.340 0.004 0.000 0.234 246 R C 2.216 178.505 176.300 -0.017 0.000 1.134 246 R CA 1.694 57.782 56.100 -0.019 0.000 0.952 246 R CB -0.102 30.181 30.300 -0.028 0.000 0.850 246 R HN 0.267 nan 8.270 nan 0.000 0.433 247 R N -0.229 120.244 120.500 -0.046 0.000 2.075 247 R HA -0.060 4.282 4.340 0.004 0.000 0.232 247 R C 2.363 178.715 176.300 0.086 0.000 1.126 247 R CA 1.327 57.382 56.100 -0.075 0.000 0.963 247 R CB -0.370 29.745 30.300 -0.308 0.000 0.858 247 R HN 0.234 nan 8.270 nan 0.000 0.435 248 A N 0.505 123.409 122.820 0.140 0.000 1.908 248 A HA -0.175 4.147 4.320 0.004 0.000 0.218 248 A C 2.159 179.773 177.584 0.050 0.000 1.181 248 A CA 2.080 54.210 52.037 0.156 0.000 0.627 248 A CB -0.825 18.203 19.000 0.047 0.000 0.818 248 A HN 0.294 nan 8.150 nan 0.000 0.445 249 T N -0.226 114.341 114.554 0.022 0.000 2.857 249 T HA -0.063 4.289 4.350 0.004 0.000 0.266 249 T C 1.811 176.519 174.700 0.013 0.000 1.048 249 T CA 1.304 63.405 62.100 0.002 0.000 1.139 249 T CB -0.273 68.593 68.868 -0.004 0.000 0.874 249 T HN 0.294 nan 8.240 nan 0.000 0.455 250 L N 1.259 122.500 121.223 0.030 0.000 2.027 250 L HA 0.124 4.466 4.340 0.004 0.000 0.206 250 L C 2.165 179.069 176.870 0.057 0.000 1.074 250 L CA 1.398 56.261 54.840 0.039 0.000 0.745 250 L CB -1.029 41.055 42.059 0.042 0.000 0.898 250 L HN 0.164 nan 8.230 nan 0.000 0.433 251 L N 0.146 121.427 121.223 0.097 0.000 1.990 251 L HA -0.205 4.137 4.340 0.004 0.000 0.213 251 L C 2.566 179.439 176.870 0.006 0.000 1.072 251 L CA 2.325 57.224 54.840 0.099 0.000 0.755 251 L CB -1.108 41.052 42.059 0.167 0.000 0.889 251 L HN 0.318 nan 8.230 nan 0.000 0.432 252 A N -0.422 122.389 122.820 -0.014 0.000 1.884 252 A HA -0.321 4.001 4.320 0.004 0.000 0.219 252 A C 2.431 179.993 177.584 -0.036 0.000 1.197 252 A CA 2.400 54.413 52.037 -0.040 0.000 0.637 252 A CB -0.751 18.224 19.000 -0.042 0.000 0.827 252 A HN 0.557 nan 8.150 nan 0.000 0.450 253 R N -0.858 119.631 120.500 -0.019 0.000 2.083 253 R HA -0.090 4.253 4.340 0.004 0.000 0.237 253 R C 2.109 178.387 176.300 -0.037 0.000 1.137 253 R CA 1.628 57.718 56.100 -0.018 0.000 0.951 253 R CB -0.571 29.729 30.300 -0.000 0.000 0.851 253 R HN 0.558 nan 8.270 nan 0.000 0.434 254 L N 0.793 121.990 121.223 -0.043 0.000 2.265 254 L HA -0.107 4.235 4.340 0.004 0.000 0.215 254 L C 1.938 178.615 176.870 -0.321 0.000 1.117 254 L CA 0.728 55.509 54.840 -0.099 0.000 0.782 254 L CB -0.166 41.894 42.059 0.002 0.000 0.914 254 L HN 0.179 nan 8.230 nan 0.000 0.441 255 V N -4.117 115.640 119.914 -0.262 0.000 3.376 255 V HA 0.508 4.630 4.120 0.004 0.000 0.313 255 V C 1.101 177.134 176.094 -0.101 0.000 1.393 255 V CA 0.223 62.377 62.300 -0.244 0.000 1.125 255 V CB -0.178 31.540 31.823 -0.176 0.000 1.037 255 V HN 0.408 nan 8.190 nan 0.000 0.440 256 G N -0.257 108.500 108.800 -0.072 0.000 2.142 256 G HA2 -0.221 3.742 3.960 0.004 0.000 0.225 256 G HA3 -0.221 3.742 3.960 0.004 0.000 0.225 256 G C -0.047 174.840 174.900 -0.021 0.000 1.015 256 G CA -0.053 45.028 45.100 -0.033 0.000 0.716 256 G HN 0.702 nan 8.290 nan 0.000 0.508 257 c N 2.702 121.287 118.600 -0.025 0.000 2.357 257 c HA 0.505 5.078 4.570 0.004 0.000 0.300 257 c C -0.760 173.320 174.090 -0.017 0.000 1.074 257 c CA -1.489 54.830 56.329 -0.017 0.000 1.566 257 c CB 0.340 42.839 42.510 -0.018 0.000 1.791 257 c HN 0.537 nan 8.230 nan 0.000 0.415 266 D N 1.086 121.481 120.400 -0.008 0.000 2.149 266 D HA -0.021 4.622 4.640 0.004 0.000 0.201 266 D C 1.327 177.622 176.300 -0.009 0.000 0.972 266 D CA 1.545 55.537 54.000 -0.014 0.000 0.835 266 D CB 0.238 41.029 40.800 -0.014 0.000 0.966 266 D HN 0.606 nan 8.370 nan 0.000 0.476 267 T N 1.041 115.595 114.554 0.000 0.000 2.720 267 T HA -0.148 4.205 4.350 0.004 0.000 0.268 267 T C 1.755 176.461 174.700 0.011 0.000 1.037 267 T CA 1.122 63.227 62.100 0.009 0.000 1.144 267 T CB -0.150 68.724 68.868 0.011 0.000 0.864 267 T HN 0.286 nan 8.240 nan 0.000 0.444 268 E N 0.607 120.811 120.200 0.006 0.000 2.031 268 E HA -0.074 4.279 4.350 0.004 0.000 0.193 268 E C 2.286 178.888 176.600 0.003 0.000 0.994 268 E CA 0.884 57.287 56.400 0.006 0.000 0.800 268 E CB -0.327 29.375 29.700 0.003 0.000 0.752 268 E HN 0.372 nan 8.360 nan 0.000 0.447 269 L N 1.065 122.283 121.223 -0.008 0.000 2.012 269 L HA -0.218 4.125 4.340 0.004 0.000 0.210 269 L C 2.294 179.152 176.870 -0.021 0.000 1.073 269 L CA 1.412 56.240 54.840 -0.020 0.000 0.748 269 L CB -0.146 41.892 42.059 -0.035 0.000 0.891 269 L HN 0.099 nan 8.230 nan 0.000 0.431 270 I N -0.115 120.443 120.570 -0.020 0.000 2.252 270 I HA -0.230 3.943 4.170 0.004 0.000 0.245 270 I C 2.774 178.938 176.117 0.079 0.000 1.102 270 I CA 1.000 62.299 61.300 -0.001 0.000 1.385 270 I CB -0.646 37.355 38.000 0.001 0.000 1.064 270 I HN 0.330 nan 8.210 nan 0.000 0.414 271 A N -0.169 122.684 122.820 0.056 0.000 1.908 271 A HA -0.303 4.019 4.320 0.004 0.000 0.218 271 A C 2.526 180.144 177.584 0.057 0.000 1.181 271 A CA 2.079 54.151 52.037 0.058 0.000 0.627 271 A CB -1.364 17.657 19.000 0.035 0.000 0.818 271 A HN 0.624 nan 8.150 nan 0.000 0.445 272 c N -0.742 117.882 118.600 0.041 0.000 2.446 272 c HA 0.058 4.631 4.570 0.004 0.000 0.277 272 c C 2.598 176.720 174.090 0.054 0.000 1.275 272 c CA 0.972 57.322 56.329 0.034 0.000 1.727 272 c CB -1.544 40.975 42.510 0.015 0.000 2.010 272 c HN 0.592 nan 8.230 nan 0.000 0.486 273 L N 0.323 121.591 121.223 0.075 0.000 2.131 273 L HA -0.107 4.236 4.340 0.004 0.000 0.210 273 L C 2.905 179.907 176.870 0.221 0.000 1.092 273 L CA 1.423 56.343 54.840 0.133 0.000 0.759 273 L CB -0.625 41.493 42.059 0.099 0.000 0.903 273 L HN 0.336 nan 8.230 nan 0.000 0.435 274 R N -0.543 120.089 120.500 0.220 0.000 2.237 274 R HA -0.106 4.236 4.340 0.004 0.000 0.219 274 R C 2.090 178.415 176.300 0.043 0.000 1.080 274 R CA 1.588 57.754 56.100 0.111 0.000 0.995 274 R CB -0.321 30.030 30.300 0.086 0.000 0.875 274 R HN 0.498 nan 8.270 nan 0.000 0.462 275 T N -1.785 112.799 114.554 0.049 0.000 3.100 275 T HA 0.120 4.472 4.350 0.004 0.000 0.253 275 T C 0.852 175.566 174.700 0.023 0.000 1.118 275 T CA -0.119 61.996 62.100 0.026 0.000 1.058 275 T CB 0.194 69.077 68.868 0.024 0.000 0.953 275 T HN -0.123 nan 8.240 nan 0.000 0.515 276 R N 2.478 122.999 120.500 0.036 0.000 2.410 276 R HA 0.412 4.754 4.340 0.004 0.000 0.288 276 R C -2.767 173.547 176.300 0.023 0.000 1.051 276 R CA -2.507 53.613 56.100 0.033 0.000 1.021 276 R CB 0.050 30.375 30.300 0.042 0.000 1.032 276 R HN 0.218 nan 8.270 nan 0.000 0.481 277 P HA -0.025 nan 4.420 nan 0.000 0.265 277 P C 0.318 177.605 177.300 -0.021 0.000 1.193 277 P CA 0.270 63.362 63.100 -0.013 0.000 0.765 277 P CB 0.572 32.277 31.700 0.009 0.000 0.823 278 A N 3.167 125.906 122.820 -0.135 0.000 1.948 278 A HA -0.287 4.035 4.320 0.004 0.000 0.220 278 A C 2.153 179.681 177.584 -0.093 0.000 1.177 278 A CA 1.973 53.912 52.037 -0.163 0.000 0.636 278 A CB -1.105 17.383 19.000 -0.854 0.000 0.815 278 A HN 0.551 nan 8.150 nan 0.000 0.449 279 Q N -0.103 119.621 119.800 -0.127 0.000 2.167 279 Q HA -0.140 4.203 4.340 0.004 0.000 0.202 279 Q C 1.290 177.398 176.000 0.179 0.000 0.970 279 Q CA 1.805 57.696 55.803 0.147 0.000 0.855 279 Q CB -0.281 28.571 28.738 0.191 0.000 0.911 279 Q HN 0.618 nan 8.270 nan 0.000 0.438 280 D N -0.363 120.123 120.400 0.143 0.000 2.149 280 D HA -0.150 4.492 4.640 0.004 0.000 0.198 280 D C 1.702 178.156 176.300 0.258 0.000 0.990 280 D CA 1.018 55.143 54.000 0.208 0.000 0.839 280 D CB -0.090 40.797 40.800 0.146 0.000 0.948 280 D HN 0.316 nan 8.370 nan 0.000 0.460 281 L N 0.063 121.372 121.223 0.143 0.000 2.027 281 L HA -0.120 4.222 4.340 0.004 0.000 0.206 281 L C 2.513 179.436 176.870 0.090 0.000 1.074 281 L CA 0.635 55.505 54.840 0.051 0.000 0.745 281 L CB -0.547 41.422 42.059 -0.150 0.000 0.898 281 L HN -0.043 nan 8.230 nan 0.000 0.433 282 V N -0.070 119.958 119.914 0.190 0.000 2.343 282 V HA -0.283 3.839 4.120 0.004 0.000 0.247 282 V C 2.051 178.284 176.094 0.231 0.000 1.051 282 V CA 1.859 64.322 62.300 0.272 0.000 1.036 282 V CB -0.575 31.528 31.823 0.467 0.000 0.654 282 V HN 0.414 nan 8.190 nan 0.000 0.451 283 D N -0.689 119.821 120.400 0.182 0.000 2.218 283 D HA -0.138 4.505 4.640 0.004 0.000 0.204 283 D C 1.761 177.894 176.300 -0.279 0.000 0.976 283 D CA 1.370 55.378 54.000 0.013 0.000 0.853 283 D CB -0.211 40.559 40.800 -0.049 0.000 0.939 283 D HN 0.642 nan 8.370 nan 0.000 0.481 284 H N -0.942 118.109 119.070 -0.032 0.000 2.652 284 H HA 0.155 4.714 4.556 0.004 0.000 0.274 284 H C 1.552 176.772 175.328 -0.179 0.000 1.021 284 H CA 0.072 56.011 56.048 -0.183 0.000 1.187 284 H CB 0.443 30.230 29.762 0.042 0.000 1.505 284 H HN 0.181 nan 8.280 nan 0.000 0.530 285 E N 0.637 120.822 120.200 -0.025 0.000 2.118 285 E HA -0.211 4.141 4.350 0.004 0.000 0.195 285 E C 0.777 177.281 176.600 -0.160 0.000 0.992 285 E CA 1.305 57.685 56.400 -0.033 0.000 0.804 285 E CB -0.099 29.512 29.700 -0.148 0.000 0.741 285 E HN 0.577 nan 8.360 nan 0.000 0.458 286 W N 0.122 121.354 121.300 -0.113 0.000 2.678 286 W HA -0.008 4.654 4.660 0.003 0.000 0.256 286 W C 1.895 178.444 176.519 0.049 0.000 1.280 286 W CA 0.365 57.654 57.345 -0.094 0.000 1.345 286 W CB 0.050 29.406 29.460 -0.173 0.000 1.118 286 W HN 0.227 nan 8.180 nan 0.000 0.629 287 H N -0.276 118.929 119.070 0.224 0.000 2.561 287 H HA -0.041 4.517 4.556 0.004 0.000 0.278 287 H C 2.063 177.450 175.328 0.098 0.000 1.014 287 H CA 1.276 57.420 56.048 0.159 0.000 1.211 287 H CB -0.903 28.966 29.762 0.178 0.000 1.365 287 H HN 0.253 nan 8.280 nan 0.000 0.594 288 V N -2.500 117.513 119.914 0.165 0.000 3.660 288 V HA 0.185 4.307 4.120 0.004 0.000 0.276 288 V C 0.937 177.019 176.094 -0.020 0.000 1.317 288 V CA -0.132 62.199 62.300 0.052 0.000 1.097 288 V CB -0.328 31.488 31.823 -0.011 0.000 0.863 288 V HN 0.002 nan 8.190 nan 0.000 0.438 289 L N 2.401 123.628 121.223 0.007 0.000 2.490 289 L HA 0.219 4.562 4.340 0.004 0.000 0.274 289 L C -0.417 176.455 176.870 0.004 0.000 1.201 289 L CA -0.913 53.921 54.840 -0.010 0.000 0.869 289 L CB 0.719 42.800 42.059 0.038 0.000 1.123 289 L HN 0.160 nan 8.230 nan 0.000 0.484 290 P HA -0.052 nan 4.420 nan 0.000 0.229 290 P C -0.029 177.272 177.300 0.001 0.000 1.160 290 P CA 0.861 63.956 63.100 -0.009 0.000 0.777 290 P CB 0.494 32.182 31.700 -0.020 0.000 0.814 291 Q N -0.902 118.900 119.800 0.004 0.000 2.456 291 Q HA 0.309 4.652 4.340 0.004 0.000 0.283 291 Q C -0.853 175.154 176.000 0.011 0.000 1.084 291 Q CA -0.742 55.064 55.803 0.004 0.000 0.801 291 Q CB 1.934 30.671 28.738 -0.002 0.000 1.434 291 Q HN -0.059 nan 8.270 nan 0.000 0.419 292 E N 0.829 121.033 120.200 0.008 0.000 2.351 292 E HA 0.365 4.718 4.350 0.004 0.000 0.266 292 E C -1.029 175.570 176.600 -0.001 0.000 1.031 292 E CA 0.111 56.515 56.400 0.007 0.000 0.911 292 E CB 0.293 29.996 29.700 0.004 0.000 0.986 292 E HN 0.576 nan 8.360 nan 0.000 0.446 293 S N 4.055 119.752 115.700 -0.005 0.000 2.625 293 S HA 0.677 5.149 4.470 0.004 0.000 0.271 293 S C -0.403 174.182 174.600 -0.025 0.000 1.161 293 S CA -1.037 57.153 58.200 -0.017 0.000 0.820 293 S CB 0.902 64.087 63.200 -0.026 0.000 1.137 293 S HN 0.572 nan 8.310 nan 0.000 0.470 294 I N -2.972 117.582 120.570 -0.025 0.000 3.002 294 I HA 0.784 4.956 4.170 0.004 0.000 0.310 294 I C -0.355 175.724 176.117 -0.065 0.000 1.087 294 I CA -1.187 60.104 61.300 -0.015 0.000 1.017 294 I CB 1.333 39.372 38.000 0.064 0.000 1.226 294 I HN 0.764 nan 8.210 nan 0.000 0.443 295 F N 1.778 121.510 119.950 -0.363 0.000 3.090 295 F HA -0.183 4.347 4.527 0.004 0.000 0.282 295 F C -0.383 174.856 175.800 -0.934 0.000 0.923 295 F CA 0.642 58.186 58.000 -0.760 0.000 0.977 295 F CB -0.623 37.842 39.000 -0.891 0.000 0.954 295 F HN 0.597 nan 8.300 nan 0.000 0.695 296 R N 0.426 120.436 120.500 -0.818 0.000 2.621 296 R HA 0.646 4.989 4.340 0.004 0.000 0.284 296 R C -1.072 174.747 176.300 -0.803 0.000 0.998 296 R CA -0.566 55.114 56.100 -0.699 0.000 0.895 296 R CB 1.493 31.659 30.300 -0.224 0.000 1.195 296 R HN 0.004 nan 8.270 nan 0.000 0.450 297 F N -0.731 119.321 119.950 0.170 0.000 2.565 297 F HA 0.359 4.888 4.527 0.003 0.000 0.313 297 F C 1.440 177.180 175.800 -0.099 0.000 1.091 297 F CA -0.801 57.232 58.000 0.054 0.000 0.915 297 F CB 1.946 41.075 39.000 0.215 0.000 1.208 297 F HN 0.346 nan 8.300 nan 0.000 0.453 298 S N 0.828 116.435 115.700 -0.155 0.000 2.345 298 S HA -0.001 4.471 4.470 0.004 0.000 0.220 298 S C 0.077 174.288 174.600 -0.648 0.000 1.031 298 S CA 1.150 59.076 58.200 -0.457 0.000 0.996 298 S CB -0.190 62.666 63.200 -0.573 0.000 0.882 298 S HN 0.359 nan 8.310 nan 0.000 0.445 299 F N 1.762 121.718 119.950 0.009 0.000 2.347 299 F HA 0.548 5.078 4.527 0.004 0.000 0.366 299 F C 0.015 175.829 175.800 0.023 0.000 1.107 299 F CA -0.896 57.141 58.000 0.061 0.000 1.058 299 F CB 1.147 40.205 39.000 0.097 0.000 1.236 299 F HN -0.088 nan 8.300 nan 0.000 0.456 300 V N 0.823 120.708 119.914 -0.049 0.000 3.167 300 V HA 0.746 4.868 4.120 0.004 0.000 0.310 300 V C -2.901 172.871 176.094 -0.536 0.000 1.207 300 V CA -3.374 58.583 62.300 -0.572 0.000 1.059 300 V CB 1.946 33.600 31.823 -0.283 0.000 1.079 300 V HN 0.254 nan 8.190 nan 0.000 0.446 301 P HA 0.122 nan 4.420 nan 0.000 0.263 301 P C -0.688 176.485 177.300 -0.211 0.000 1.175 301 P CA 0.554 63.403 63.100 -0.418 0.000 0.761 301 P CB 0.504 31.860 31.700 -0.573 0.000 0.794 302 V N 4.987 124.846 119.914 -0.091 0.000 2.581 302 V HA 0.248 4.370 4.120 0.004 0.000 0.303 302 V C -0.356 175.718 176.094 -0.034 0.000 1.041 302 V CA -0.883 61.386 62.300 -0.051 0.000 0.907 302 V CB 2.143 33.963 31.823 -0.004 0.000 0.994 302 V HN 0.126 nan 8.190 nan 0.000 0.442 303 V N 7.228 127.123 119.914 -0.031 0.000 2.364 303 V HA 0.186 4.308 4.120 0.004 0.000 0.252 303 V C 0.751 176.850 176.094 0.008 0.000 1.075 303 V CA 0.288 62.583 62.300 -0.008 0.000 1.033 303 V CB 0.237 32.048 31.823 -0.019 0.000 1.116 303 V HN 1.058 nan 8.190 nan 0.000 0.488 304 D N 2.753 123.172 120.400 0.032 0.000 2.367 304 D HA 0.130 4.772 4.640 0.004 0.000 0.207 304 D C 1.531 177.853 176.300 0.036 0.000 1.034 304 D CA 0.722 54.744 54.000 0.036 0.000 0.861 304 D CB 0.429 41.262 40.800 0.056 0.000 0.943 304 D HN 0.694 nan 8.370 nan 0.000 0.515 305 G N 0.673 109.496 108.800 0.038 0.000 2.143 305 G HA2 -0.312 3.651 3.960 0.004 0.000 0.249 305 G HA3 -0.312 3.651 3.960 0.004 0.000 0.249 305 G C 0.353 175.273 174.900 0.034 0.000 0.981 305 G CA 0.725 45.842 45.100 0.028 0.000 0.665 305 G HN 0.553 nan 8.290 nan 0.000 0.528 306 D N -1.735 118.702 120.400 0.060 0.000 2.973 306 D HA 0.254 4.896 4.640 0.004 0.000 0.187 306 D C 1.684 178.033 176.300 0.081 0.000 1.467 306 D CA 0.431 54.469 54.000 0.064 0.000 1.515 306 D CB -0.645 40.202 40.800 0.079 0.000 1.182 306 D HN 0.064 nan 8.370 nan 0.000 0.213 307 F N 1.187 121.143 119.950 0.010 0.000 2.095 307 F HA 0.162 4.691 4.527 0.003 0.000 0.298 307 F C 0.570 176.369 175.800 -0.002 0.000 1.104 307 F CA 1.268 59.273 58.000 0.009 0.000 1.232 307 F CB 0.126 39.129 39.000 0.004 0.000 0.987 307 F HN -0.003 nan 8.300 nan 0.000 0.475 308 L N 0.793 122.178 121.223 0.270 0.000 2.277 308 L HA 0.196 4.538 4.340 0.004 0.000 0.284 308 L C 1.302 178.214 176.870 0.070 0.000 1.028 308 L CA -0.181 54.748 54.840 0.148 0.000 0.835 308 L CB 1.342 43.476 42.059 0.126 0.000 1.215 308 L HN 0.081 nan 8.230 nan 0.000 0.425 309 S N 0.333 116.054 115.700 0.035 0.000 2.461 309 S HA 0.022 4.495 4.470 0.004 0.000 0.228 309 S C 0.461 175.069 174.600 0.014 0.000 1.005 309 S CA 0.343 58.553 58.200 0.017 0.000 0.942 309 S CB 0.225 63.424 63.200 -0.001 0.000 0.776 309 S HN 0.678 nan 8.310 nan 0.000 0.514 310 D N 0.430 120.840 120.400 0.016 0.000 2.752 310 D HA 0.320 4.962 4.640 0.004 0.000 0.313 310 D C -0.891 175.413 176.300 0.006 0.000 1.225 310 D CA -0.065 53.939 54.000 0.008 0.000 0.976 310 D CB 1.566 42.369 40.800 0.005 0.000 1.443 310 D HN 0.223 nan 8.370 nan 0.000 0.515 311 T N -0.762 113.789 114.554 -0.005 0.000 2.940 311 T HA 0.220 4.572 4.350 0.004 0.000 0.309 311 T C -1.803 172.889 174.700 -0.014 0.000 1.056 311 T CA -0.755 61.334 62.100 -0.019 0.000 1.137 311 T CB 1.001 69.853 68.868 -0.028 0.000 0.976 311 T HN 0.105 nan 8.240 nan 0.000 0.547 312 P HA -0.179 nan 4.420 nan 0.000 0.216 312 P C 1.525 178.813 177.300 -0.019 0.000 1.154 312 P CA 1.226 64.309 63.100 -0.028 0.000 0.865 312 P CB 0.066 31.721 31.700 -0.075 0.000 0.789 313 E N -0.404 119.775 120.200 -0.034 0.000 2.049 313 E HA -0.263 4.089 4.350 0.004 0.000 0.198 313 E C 1.921 178.523 176.600 0.005 0.000 1.007 313 E CA 1.669 58.056 56.400 -0.022 0.000 0.809 313 E CB -0.542 29.139 29.700 -0.032 0.000 0.749 313 E HN 0.099 nan 8.360 nan 0.000 0.450 314 A N 0.872 123.695 122.820 0.005 0.000 1.933 314 A HA -0.134 4.189 4.320 0.004 0.000 0.218 314 A C 2.254 179.862 177.584 0.039 0.000 1.175 314 A CA 1.167 53.214 52.037 0.016 0.000 0.628 314 A CB -0.556 18.448 19.000 0.006 0.000 0.814 314 A HN 0.297 nan 8.150 nan 0.000 0.444 315 L N -0.079 121.175 121.223 0.052 0.000 2.109 315 L HA -0.112 4.231 4.340 0.004 0.000 0.207 315 L C 2.570 179.558 176.870 0.197 0.000 1.086 315 L CA 1.395 56.294 54.840 0.098 0.000 0.760 315 L CB -0.653 41.464 42.059 0.096 0.000 0.910 315 L HN 0.652 nan 8.230 nan 0.000 0.437 316 I N -2.438 118.223 120.570 0.152 0.000 2.493 316 I HA -0.166 4.007 4.170 0.004 0.000 0.254 316 I C 1.852 178.089 176.117 0.199 0.000 1.160 316 I CA 1.405 62.809 61.300 0.173 0.000 1.445 316 I CB -0.443 37.561 38.000 0.006 0.000 1.086 316 I HN 0.194 nan 8.210 nan 0.000 0.433 317 N N 1.216 119.987 118.700 0.118 0.000 2.354 317 N HA -0.079 4.663 4.740 0.004 0.000 0.179 317 N C 1.734 177.294 175.510 0.084 0.000 1.021 317 N CA 1.939 55.042 53.050 0.089 0.000 0.887 317 N CB -0.302 38.214 38.487 0.048 0.000 0.974 317 N HN 0.672 nan 8.380 nan 0.000 0.437 318 T N -3.789 110.808 114.554 0.072 0.000 3.040 318 T HA 0.331 4.684 4.350 0.004 0.000 0.266 318 T C 0.936 175.606 174.700 -0.050 0.000 1.005 318 T CA -0.459 61.650 62.100 0.015 0.000 0.906 318 T CB 0.044 68.912 68.868 -0.001 0.000 1.082 318 T HN 0.050 nan 8.240 nan 0.000 0.531 319 G N 0.948 109.715 108.800 -0.055 0.000 2.527 319 G HA2 0.397 4.359 3.960 0.004 0.000 0.248 319 G HA3 0.397 4.359 3.960 0.004 0.000 0.248 319 G C -0.983 173.499 174.900 -0.698 0.000 1.231 319 G CA -0.380 44.422 45.100 -0.496 0.000 0.838 319 G HN 0.285 nan 8.290 nan 0.000 0.570 320 D N 0.844 120.791 120.400 -0.755 0.000 2.373 320 D HA 0.292 4.934 4.640 0.004 0.000 0.227 320 D C -0.557 175.348 176.300 -0.658 0.000 1.091 320 D CA -0.610 53.091 54.000 -0.497 0.000 0.840 320 D CB 0.737 41.382 40.800 -0.259 0.000 1.060 320 D HN 0.123 nan 8.370 nan 0.000 0.502 321 F N 2.193 122.146 119.950 0.005 0.000 2.855 321 F HA 0.223 4.753 4.527 0.004 0.000 0.317 321 F C 2.018 177.825 175.800 0.011 0.000 1.169 321 F CA -0.432 57.574 58.000 0.010 0.000 1.299 321 F CB 0.340 39.355 39.000 0.024 0.000 0.962 321 F HN 0.302 nan 8.300 nan 0.000 0.506 322 Q N 0.682 120.534 119.800 0.086 0.000 2.135 322 Q HA -0.195 4.147 4.340 0.004 0.000 0.204 322 Q C 1.115 177.153 176.000 0.064 0.000 0.981 322 Q CA 1.728 57.568 55.803 0.063 0.000 0.856 322 Q CB -0.148 28.601 28.738 0.018 0.000 0.902 322 Q HN 0.464 nan 8.270 nan 0.000 0.425 323 D N -0.380 120.053 120.400 0.055 0.000 2.434 323 D HA 0.066 4.709 4.640 0.004 0.000 0.232 323 D C -0.332 176.007 176.300 0.065 0.000 1.166 323 D CA -0.085 53.940 54.000 0.042 0.000 0.830 323 D CB -0.096 40.708 40.800 0.007 0.000 0.960 323 D HN 0.014 nan 8.370 nan 0.000 0.497 324 L N 0.480 121.771 121.223 0.112 0.000 2.362 324 L HA 0.447 4.790 4.340 0.004 0.000 0.275 324 L C -1.184 175.769 176.870 0.139 0.000 0.998 324 L CA -0.420 54.502 54.840 0.136 0.000 0.820 324 L CB 2.059 44.234 42.059 0.194 0.000 1.270 324 L HN -0.196 nan 8.230 nan 0.000 0.415 325 Q N 3.348 123.247 119.800 0.165 0.000 2.312 325 Q HA 0.809 5.151 4.340 0.004 0.000 0.263 325 Q C -1.411 174.836 176.000 0.412 0.000 0.995 325 Q CA -0.537 55.416 55.803 0.250 0.000 0.853 325 Q CB 2.718 31.578 28.738 0.204 0.000 1.300 325 Q HN 0.467 nan 8.270 nan 0.000 0.448 326 V N 2.245 122.381 119.914 0.370 0.000 2.888 326 V HA 0.501 4.623 4.120 0.004 0.000 0.309 326 V C -1.551 174.485 176.094 -0.098 0.000 1.114 326 V CA -0.867 61.553 62.300 0.200 0.000 0.940 326 V CB 2.156 34.018 31.823 0.064 0.000 1.021 326 V HN 0.600 nan 8.190 nan 0.000 0.426 327 L N 5.982 126.947 121.223 -0.429 0.000 2.333 327 L HA 0.913 5.256 4.340 0.004 0.000 0.280 327 L C -0.534 176.219 176.870 -0.194 0.000 1.004 327 L CA -0.214 54.297 54.840 -0.550 0.000 0.820 327 L CB 1.701 43.004 42.059 -1.260 0.000 1.247 327 L HN 0.649 nan 8.230 nan 0.000 0.416 328 V N 2.118 121.989 119.914 -0.072 0.000 3.007 328 V HA 1.134 5.256 4.120 0.004 0.000 0.311 328 V C -0.309 175.607 176.094 -0.297 0.000 1.120 328 V CA 0.282 62.528 62.300 -0.090 0.000 0.980 328 V CB 1.311 33.049 31.823 -0.143 0.000 1.033 328 V HN 1.112 nan 8.190 nan 0.000 0.429 329 G N 0.985 109.466 108.800 -0.532 0.000 2.430 329 G HA2 0.757 4.720 3.960 0.004 0.000 0.300 329 G HA3 0.757 4.720 3.960 0.004 0.000 0.300 329 G C -1.178 173.397 174.900 -0.541 0.000 1.330 329 G CA 0.119 44.518 45.100 -1.167 0.000 0.813 329 G HN 2.110 nan 8.290 nan 0.000 0.487 330 V N -2.371 117.343 119.914 -0.333 0.000 3.159 330 V HA 0.921 5.044 4.120 0.004 0.000 0.308 330 V C 0.339 176.624 176.094 0.317 0.000 1.190 330 V CA -0.385 61.961 62.300 0.077 0.000 1.037 330 V CB 1.088 32.938 31.823 0.045 0.000 1.060 330 V HN 1.904 nan 8.190 nan 0.000 0.437 331 V N -0.403 119.726 119.914 0.358 0.000 3.109 331 V HA 0.563 4.685 4.120 0.004 0.000 0.317 331 V C 1.406 177.695 176.094 0.326 0.000 1.074 331 V CA 0.054 62.618 62.300 0.439 0.000 1.033 331 V CB 1.231 33.324 31.823 0.449 0.000 1.111 331 V HN 1.082 nan 8.190 nan 0.000 0.458 332 K N 0.089 120.673 120.400 0.307 0.000 2.097 332 K HA -0.084 4.239 4.320 0.004 0.000 0.206 332 K C 0.037 176.758 176.600 0.201 0.000 1.049 332 K CA 2.068 58.485 56.287 0.217 0.000 0.933 332 K CB -0.038 32.560 32.500 0.163 0.000 0.717 332 K HN 0.957 nan 8.250 nan 0.000 0.442 333 D N 0.752 121.282 120.400 0.217 0.000 2.517 333 D HA 0.067 4.709 4.640 0.004 0.000 0.301 333 D C 0.069 176.509 176.300 0.235 0.000 1.202 333 D CA -0.192 53.928 54.000 0.200 0.000 0.910 333 D CB 1.368 42.263 40.800 0.159 0.000 1.021 333 D HN 0.039 nan 8.370 nan 0.000 0.499 334 E N 0.587 120.938 120.200 0.251 0.000 2.160 334 E HA -0.116 4.237 4.350 0.004 0.000 0.195 334 E C 2.072 178.865 176.600 0.322 0.000 0.991 334 E CA 0.839 57.420 56.400 0.301 0.000 0.810 334 E CB 0.042 29.891 29.700 0.247 0.000 0.742 334 E HN 0.528 nan 8.360 nan 0.000 0.466 335 G N 0.914 109.873 108.800 0.265 0.000 2.603 335 G HA2 -0.149 3.813 3.960 0.004 0.000 0.214 335 G HA3 -0.149 3.813 3.960 0.004 0.000 0.214 335 G C 1.728 176.820 174.900 0.320 0.000 1.140 335 G CA 0.759 46.036 45.100 0.295 0.000 0.800 335 G HN 0.354 nan 8.290 nan 0.000 0.533 336 S N 0.210 116.052 115.700 0.236 0.000 2.368 336 S HA -0.237 4.235 4.470 0.004 0.000 0.225 336 S C 2.113 176.731 174.600 0.029 0.000 1.030 336 S CA 1.302 59.599 58.200 0.162 0.000 0.999 336 S CB -0.800 62.425 63.200 0.041 0.000 0.844 336 S HN 0.408 nan 8.310 nan 0.000 0.459 337 Y N 2.015 122.190 120.300 -0.208 0.000 2.139 337 Y HA -0.225 4.327 4.550 0.004 0.000 0.282 337 Y C 1.748 177.473 175.900 -0.292 0.000 1.179 337 Y CA 1.841 59.656 58.100 -0.475 0.000 1.161 337 Y CB -0.663 37.410 38.460 -0.645 0.000 0.970 337 Y HN 0.288 nan 8.280 nan 0.000 0.511 338 F N -0.782 119.207 119.950 0.066 0.000 2.456 338 F HA -0.087 4.442 4.527 0.003 0.000 0.298 338 F C 1.982 177.801 175.800 0.032 0.000 1.104 338 F CA 0.625 58.651 58.000 0.043 0.000 1.435 338 F CB -0.380 38.616 39.000 -0.007 0.000 1.078 338 F HN 0.018 nan 8.300 nan 0.000 0.546 339 L N -0.083 121.208 121.223 0.115 0.000 2.093 339 L HA -0.142 4.200 4.340 0.004 0.000 0.208 339 L C 2.417 179.307 176.870 0.033 0.000 1.085 339 L CA 1.026 55.812 54.840 -0.090 0.000 0.755 339 L CB -0.904 40.908 42.059 -0.411 0.000 0.904 339 L HN 0.161 nan 8.230 nan 0.000 0.435 340 V N -4.666 115.312 119.914 0.107 0.000 3.305 340 V HA -0.187 3.935 4.120 0.004 0.000 0.269 340 V C 1.390 177.377 176.094 -0.179 0.000 1.157 340 V CA 0.944 63.287 62.300 0.070 0.000 1.157 340 V CB -1.197 30.710 31.823 0.141 0.000 0.772 340 V HN 0.319 nan 8.190 nan 0.000 0.498 341 Y N 1.664 121.937 120.300 -0.046 0.000 2.532 341 Y HA 0.635 5.187 4.550 0.004 0.000 0.283 341 Y C 1.738 177.590 175.900 -0.079 0.000 1.181 341 Y CA 0.383 58.427 58.100 -0.093 0.000 1.256 341 Y CB 0.612 38.996 38.460 -0.126 0.000 1.112 341 Y HN 0.421 nan 8.280 nan 0.000 0.521 342 G N -1.278 107.553 108.800 0.052 0.000 4.106 342 G HA2 -0.077 3.886 3.960 0.004 0.000 0.220 342 G HA3 -0.077 3.886 3.960 0.004 0.000 0.220 342 G C -0.795 174.131 174.900 0.044 0.000 0.853 342 G CA -0.490 44.629 45.100 0.031 0.000 0.920 342 G HN -0.045 nan 8.290 nan 0.000 0.715 343 V N 2.739 122.691 119.914 0.063 0.000 2.368 343 V HA 0.391 4.513 4.120 0.004 0.000 0.266 343 V C -1.936 174.305 176.094 0.245 0.000 1.045 343 V CA -1.644 60.724 62.300 0.113 0.000 0.899 343 V CB 1.131 32.953 31.823 -0.003 0.000 1.006 343 V HN 0.058 nan 8.190 nan 0.000 0.470 344 P HA 0.265 nan 4.420 nan 0.000 0.264 344 P C 1.017 178.411 177.300 0.157 0.000 1.193 344 P CA 1.214 64.391 63.100 0.129 0.000 0.763 344 P CB 0.693 32.435 31.700 0.070 0.000 0.810 345 G N 1.432 110.270 108.800 0.063 0.000 2.253 345 G HA2 -0.191 3.772 3.960 0.004 0.000 0.209 345 G HA3 -0.191 3.772 3.960 0.004 0.000 0.209 345 G C -0.229 174.494 174.900 -0.295 0.000 0.997 345 G CA -0.624 44.394 45.100 -0.137 0.000 0.640 345 G HN 0.388 nan 8.290 nan 0.000 0.496 346 F N 1.716 121.652 119.950 -0.023 0.000 2.421 346 F HA 0.811 5.340 4.527 0.003 0.000 0.337 346 F C 0.606 176.468 175.800 0.104 0.000 1.105 346 F CA -0.224 57.774 58.000 -0.003 0.000 1.049 346 F CB 2.230 41.269 39.000 0.066 0.000 1.139 346 F HN 0.118 nan 8.300 nan 0.000 0.479 347 S N 1.473 117.371 115.700 0.330 0.000 2.550 347 S HA 0.266 4.738 4.470 0.004 0.000 0.270 347 S C 0.367 175.247 174.600 0.467 0.000 1.145 347 S CA -0.891 57.516 58.200 0.345 0.000 0.852 347 S CB 1.344 64.651 63.200 0.179 0.000 1.119 347 S HN 0.770 nan 8.310 nan 0.000 0.465 348 K N 1.241 121.820 120.400 0.297 0.000 2.365 348 K HA 0.072 4.394 4.320 0.004 0.000 0.199 348 K C 0.023 176.623 176.600 -0.000 0.000 1.045 348 K CA 1.287 57.623 56.287 0.081 0.000 0.962 348 K CB -0.083 32.125 32.500 -0.486 0.000 0.759 348 K HN 0.430 nan 8.250 nan 0.000 0.469 349 D N 0.888 121.286 120.400 -0.002 0.000 2.349 349 D HA 0.027 4.669 4.640 0.004 0.000 0.214 349 D C -0.310 176.007 176.300 0.027 0.000 1.063 349 D CA 0.208 54.184 54.000 -0.041 0.000 0.847 349 D CB 0.163 40.924 40.800 -0.065 0.000 0.933 349 D HN 0.484 nan 8.370 nan 0.000 0.513 350 N N -1.070 117.684 118.700 0.089 0.000 3.157 350 N HA 0.090 4.832 4.740 0.004 0.000 0.291 350 N C 0.387 175.945 175.510 0.081 0.000 1.515 350 N CA -0.502 52.580 53.050 0.052 0.000 0.807 350 N CB 0.792 39.268 38.487 -0.018 0.000 1.672 350 N HN -0.432 nan 8.380 nan 0.000 0.592 351 E N -0.458 119.720 120.200 -0.038 0.000 2.482 351 E HA 0.034 4.386 4.350 0.004 0.000 0.196 351 E C -0.375 175.868 176.600 -0.596 0.000 1.047 351 E CA 0.404 56.708 56.400 -0.160 0.000 0.869 351 E CB -0.652 28.994 29.700 -0.091 0.000 0.836 351 E HN 0.582 nan 8.360 nan 0.000 0.520 352 S N 0.022 115.404 115.700 -0.529 0.000 3.641 352 S HA -0.187 4.285 4.470 0.004 0.000 0.346 352 S C 0.276 174.433 174.600 -0.739 0.000 1.074 352 S CA 0.152 57.892 58.200 -0.767 0.000 1.026 352 S CB -1.899 60.548 63.200 -1.254 0.000 0.908 352 S HN 0.305 nan 8.310 nan 0.000 0.479 353 L N 1.785 122.735 121.223 -0.455 0.000 2.433 353 L HA 0.378 4.720 4.340 0.004 0.000 0.275 353 L C 0.740 177.411 176.870 -0.332 0.000 1.128 353 L CA 0.001 54.640 54.840 -0.335 0.000 0.875 353 L CB 0.030 41.964 42.059 -0.208 0.000 1.171 353 L HN 0.428 nan 8.230 nan 0.000 0.463 354 I N 0.277 120.645 120.570 -0.336 0.000 2.822 354 I HA 0.637 4.809 4.170 0.004 0.000 0.312 354 I C 0.558 176.596 176.117 -0.131 0.000 1.011 354 I CA -0.634 60.505 61.300 -0.269 0.000 1.105 354 I CB 1.847 39.651 38.000 -0.327 0.000 1.291 354 I HN 0.535 nan 8.210 nan 0.000 0.474 355 S N 2.219 117.874 115.700 -0.075 0.000 2.669 355 S HA 0.389 4.861 4.470 0.004 0.000 0.270 355 S C 0.922 175.540 174.600 0.030 0.000 1.225 355 S CA -0.532 57.651 58.200 -0.029 0.000 0.991 355 S CB 1.523 64.713 63.200 -0.018 0.000 0.987 355 S HN 0.855 nan 8.310 nan 0.000 0.552 356 R N 0.276 120.796 120.500 0.033 0.000 2.096 356 R HA -0.059 4.283 4.340 0.004 0.000 0.235 356 R C 2.372 178.759 176.300 0.145 0.000 1.127 356 R CA 1.443 57.600 56.100 0.095 0.000 0.968 356 R CB -1.084 29.245 30.300 0.047 0.000 0.861 356 R HN 0.838 nan 8.270 nan 0.000 0.440 357 A N 0.642 123.513 122.820 0.084 0.000 1.908 357 A HA -0.235 4.087 4.320 0.004 0.000 0.218 357 A C 2.022 179.656 177.584 0.082 0.000 1.181 357 A CA 1.594 53.674 52.037 0.072 0.000 0.627 357 A CB -0.504 18.521 19.000 0.042 0.000 0.818 357 A HN 0.501 nan 8.150 nan 0.000 0.445 358 Q N -1.968 117.884 119.800 0.087 0.000 2.167 358 Q HA -0.102 4.240 4.340 0.004 0.000 0.202 358 Q C 1.849 177.963 176.000 0.191 0.000 0.970 358 Q CA 1.366 57.232 55.803 0.105 0.000 0.855 358 Q CB -0.264 28.509 28.738 0.058 0.000 0.911 358 Q HN 0.808 nan 8.270 nan 0.000 0.438 359 F N 1.100 121.086 119.950 0.061 0.000 2.113 359 F HA -0.199 4.330 4.527 0.004 0.000 0.297 359 F C 1.742 177.581 175.800 0.065 0.000 1.103 359 F CA 1.095 59.143 58.000 0.081 0.000 1.248 359 F CB 0.067 39.097 39.000 0.050 0.000 0.999 359 F HN -0.045 nan 8.300 nan 0.000 0.475 360 L N 0.186 121.388 121.223 -0.036 0.000 2.083 360 L HA -0.197 4.146 4.340 0.004 0.000 0.209 360 L C 2.832 179.631 176.870 -0.118 0.000 1.083 360 L CA 1.133 55.885 54.840 -0.146 0.000 0.752 360 L CB -1.476 40.583 42.059 -0.001 0.000 0.899 360 L HN 0.265 nan 8.230 nan 0.000 0.433 361 A N 0.609 123.408 122.820 -0.035 0.000 1.930 361 A HA -0.082 4.240 4.320 0.004 0.000 0.217 361 A C 2.416 179.981 177.584 -0.032 0.000 1.175 361 A CA 1.631 53.658 52.037 -0.016 0.000 0.627 361 A CB -1.082 17.931 19.000 0.021 0.000 0.815 361 A HN 0.438 nan 8.150 nan 0.000 0.443 362 G N -0.746 108.036 108.800 -0.030 0.000 2.422 362 G HA2 -0.043 3.919 3.960 0.004 0.000 0.218 362 G HA3 -0.043 3.919 3.960 0.004 0.000 0.218 362 G C 1.449 176.275 174.900 -0.123 0.000 1.140 362 G CA 1.065 46.147 45.100 -0.030 0.000 0.775 362 G HN 0.294 nan 8.290 nan 0.000 0.545 363 V N 0.980 120.743 119.914 -0.252 0.000 2.407 363 V HA -0.128 3.994 4.120 0.004 0.000 0.248 363 V C 2.951 178.970 176.094 -0.125 0.000 1.055 363 V CA 1.540 63.690 62.300 -0.250 0.000 1.049 363 V CB -0.345 31.249 31.823 -0.380 0.000 0.662 363 V HN 0.223 nan 8.190 nan 0.000 0.455 364 R N -0.230 120.212 120.500 -0.096 0.000 2.115 364 R HA 0.068 4.411 4.340 0.004 0.000 0.230 364 R C 2.031 178.309 176.300 -0.037 0.000 1.111 364 R CA 1.241 57.310 56.100 -0.052 0.000 0.976 364 R CB -0.737 29.541 30.300 -0.036 0.000 0.870 364 R HN 0.471 nan 8.270 nan 0.000 0.445 365 I N -0.399 120.149 120.570 -0.037 0.000 2.406 365 I HA -0.068 4.104 4.170 0.004 0.000 0.249 365 I C 2.200 178.301 176.117 -0.026 0.000 1.122 365 I CA 1.396 62.682 61.300 -0.024 0.000 1.431 365 I CB -0.403 37.589 38.000 -0.014 0.000 1.087 365 I HN 0.178 nan 8.210 nan 0.000 0.424 366 G N 0.183 108.959 108.800 -0.041 0.000 2.623 366 G HA2 0.033 3.996 3.960 0.004 0.000 0.214 366 G HA3 0.033 3.996 3.960 0.004 0.000 0.214 366 G C 0.729 175.619 174.900 -0.016 0.000 1.138 366 G CA 0.302 45.382 45.100 -0.033 0.000 0.794 366 G HN 0.232 nan 8.290 nan 0.000 0.535 367 V N 1.743 121.632 119.914 -0.041 0.000 2.405 367 V HA 0.221 4.344 4.120 0.004 0.000 0.253 367 V C -1.622 174.459 176.094 -0.022 0.000 0.963 367 V CA -1.045 61.209 62.300 -0.076 0.000 1.003 367 V CB 1.641 33.397 31.823 -0.112 0.000 1.251 367 V HN 0.040 nan 8.190 nan 0.000 0.520 368 P HA -0.061 nan 4.420 nan 0.000 0.229 368 P C 1.055 178.360 177.300 0.007 0.000 1.160 368 P CA 0.845 63.947 63.100 0.003 0.000 0.777 368 P CB 0.596 32.297 31.700 0.002 0.000 0.814 369 Q N -0.259 119.555 119.800 0.023 0.000 2.425 369 Q HA 0.237 4.579 4.340 0.004 0.000 0.204 369 Q C 0.870 176.873 176.000 0.005 0.000 0.933 369 Q CA 0.038 55.852 55.803 0.017 0.000 0.939 369 Q CB -0.601 28.158 28.738 0.035 0.000 1.044 369 Q HN 0.159 nan 8.270 nan 0.000 0.513 370 A N 0.991 123.811 122.820 -0.001 0.000 2.454 370 A HA 0.387 4.710 4.320 0.004 0.000 0.260 370 A C 0.466 178.044 177.584 -0.010 0.000 1.106 370 A CA -0.206 51.825 52.037 -0.010 0.000 0.780 370 A CB 0.055 19.048 19.000 -0.011 0.000 1.044 370 A HN 0.359 nan 8.150 nan 0.000 0.498 371 S N 2.219 117.911 115.700 -0.015 0.000 2.598 371 S HA 0.038 4.511 4.470 0.004 0.000 0.256 371 S C 0.465 175.064 174.600 -0.001 0.000 1.350 371 S CA 0.378 58.572 58.200 -0.011 0.000 0.984 371 S CB 0.273 63.463 63.200 -0.017 0.000 0.930 371 S HN 0.640 nan 8.310 nan 0.000 0.577 372 D N 0.075 120.477 120.400 0.003 0.000 2.123 372 D HA -0.072 4.570 4.640 0.004 0.000 0.196 372 D C 1.743 178.058 176.300 0.026 0.000 0.992 372 D CA 0.946 54.954 54.000 0.013 0.000 0.833 372 D CB -0.471 40.337 40.800 0.014 0.000 0.954 372 D HN 0.404 nan 8.370 nan 0.000 0.455 373 L N 0.743 121.981 121.223 0.024 0.000 2.017 373 L HA -0.039 4.303 4.340 0.004 0.000 0.208 373 L C 2.094 179.000 176.870 0.060 0.000 1.073 373 L CA 1.750 56.616 54.840 0.043 0.000 0.745 373 L CB -0.890 41.188 42.059 0.032 0.000 0.894 373 L HN -0.003 nan 8.230 nan 0.000 0.432 374 A N -0.598 122.239 122.820 0.028 0.000 1.902 374 A HA -0.126 4.197 4.320 0.004 0.000 0.217 374 A C 2.438 180.061 177.584 0.066 0.000 1.181 374 A CA 1.864 53.917 52.037 0.027 0.000 0.623 374 A CB -1.144 17.834 19.000 -0.037 0.000 0.818 374 A HN 0.566 nan 8.150 nan 0.000 0.443 375 A N -0.344 122.501 122.820 0.042 0.000 1.902 375 A HA -0.165 4.157 4.320 0.004 0.000 0.217 375 A C 1.927 179.551 177.584 0.067 0.000 1.181 375 A CA 1.638 53.697 52.037 0.036 0.000 0.623 375 A CB -0.525 18.478 19.000 0.005 0.000 0.818 375 A HN 0.630 nan 8.150 nan 0.000 0.443 376 E N -0.314 119.936 120.200 0.082 0.000 2.077 376 E HA -0.144 4.209 4.350 0.004 0.000 0.193 376 E C 2.322 179.019 176.600 0.162 0.000 0.989 376 E CA 0.981 57.450 56.400 0.115 0.000 0.800 376 E CB -0.286 29.474 29.700 0.101 0.000 0.746 376 E HN 0.621 nan 8.360 nan 0.000 0.452 377 A N 0.786 123.718 122.820 0.188 0.000 1.933 377 A HA -0.160 4.163 4.320 0.004 0.000 0.218 377 A C 2.472 180.186 177.584 0.216 0.000 1.175 377 A CA 1.222 53.416 52.037 0.261 0.000 0.628 377 A CB -0.623 18.625 19.000 0.414 0.000 0.814 377 A HN 0.121 nan 8.150 nan 0.000 0.444 378 V N -0.516 119.537 119.914 0.233 0.000 2.261 378 V HA -0.228 3.894 4.120 0.004 0.000 0.246 378 V C 2.577 178.832 176.094 0.269 0.000 1.047 378 V CA 1.987 64.394 62.300 0.179 0.000 1.015 378 V CB -0.783 31.134 31.823 0.158 0.000 0.642 378 V HN 0.369 nan 8.190 nan 0.000 0.446 379 V N -0.073 119.968 119.914 0.213 0.000 2.332 379 V HA -0.268 3.854 4.120 0.004 0.000 0.248 379 V C 2.268 178.582 176.094 0.367 0.000 1.055 379 V CA 2.050 64.535 62.300 0.309 0.000 1.038 379 V CB -0.529 31.416 31.823 0.203 0.000 0.651 379 V HN 0.456 nan 8.190 nan 0.000 0.450 380 L N -0.927 120.501 121.223 0.341 0.000 2.156 380 L HA -0.153 4.189 4.340 0.004 0.000 0.208 380 L C 2.510 179.599 176.870 0.364 0.000 1.095 380 L CA 1.746 56.873 54.840 0.478 0.000 0.770 380 L CB -0.757 41.521 42.059 0.365 0.000 0.914 380 L HN 0.423 nan 8.230 nan 0.000 0.439 381 H N -0.839 118.250 119.070 0.032 0.000 2.389 381 H HA -0.153 4.405 4.556 0.003 0.000 0.299 381 H C 1.646 176.840 175.328 -0.224 0.000 1.081 381 H CA 1.745 57.658 56.048 -0.226 0.000 1.345 381 H CB 0.149 29.465 29.762 -0.743 0.000 1.393 381 H HN 0.237 nan 8.280 nan 0.000 0.520 382 Y N -0.431 119.919 120.300 0.083 0.000 2.462 382 Y HA 0.156 4.709 4.550 0.005 0.000 0.261 382 Y C 0.734 176.587 175.900 -0.079 0.000 1.146 382 Y CA 0.152 58.303 58.100 0.085 0.000 1.283 382 Y CB 0.399 39.039 38.460 0.300 0.000 1.090 382 Y HN 0.006 nan 8.280 nan 0.000 0.526 383 T N 1.357 115.859 114.554 -0.087 0.000 2.916 383 T HA -0.038 4.314 4.350 0.004 0.000 0.303 383 T C -0.296 174.044 174.700 -0.601 0.000 1.025 383 T CA -0.205 61.571 62.100 -0.541 0.000 1.142 383 T CB 0.337 68.524 68.868 -1.136 0.000 0.947 383 T HN 0.053 nan 8.240 nan 0.000 0.544 384 D N 1.929 122.043 120.400 -0.476 0.000 2.380 384 D HA 0.118 4.760 4.640 0.004 0.000 0.230 384 D C -0.021 176.051 176.300 -0.379 0.000 1.154 384 D CA -0.755 53.074 54.000 -0.286 0.000 0.859 384 D CB 0.328 41.093 40.800 -0.058 0.000 1.045 384 D HN 0.603 nan 8.370 nan 0.000 0.495 385 W N 3.175 124.423 121.300 -0.086 0.000 2.961 385 W HA 0.100 4.761 4.660 0.002 0.000 0.240 385 W C 1.836 178.261 176.519 -0.157 0.000 1.305 385 W CA -0.273 57.012 57.345 -0.100 0.000 1.465 385 W CB 0.092 29.503 29.460 -0.081 0.000 1.135 385 W HN 0.421 nan 8.180 nan 0.000 0.688 386 L N -1.286 119.876 121.223 -0.101 0.000 2.249 386 L HA -0.017 4.326 4.340 0.004 0.000 0.207 386 L C 0.199 176.680 176.870 -0.647 0.000 1.090 386 L CA 1.007 55.622 54.840 -0.374 0.000 0.802 386 L CB -0.136 41.618 42.059 -0.509 0.000 0.947 386 L HN -0.004 nan 8.230 nan 0.000 0.453 387 H N -1.422 117.525 119.070 -0.206 0.000 2.379 387 H HA 0.160 4.717 4.556 0.003 0.000 0.229 387 H C -1.870 173.259 175.328 -0.332 0.000 1.423 387 H CA -1.337 54.534 56.048 -0.294 0.000 1.375 387 H CB 0.284 29.746 29.762 -0.501 0.000 1.592 387 H HN -0.030 nan 8.280 nan 0.000 0.507 388 P HA -0.118 nan 4.420 nan 0.000 0.230 388 P C 0.408 177.578 177.300 -0.217 0.000 1.158 388 P CA 1.055 63.978 63.100 -0.295 0.000 0.769 388 P CB 0.642 32.195 31.700 -0.245 0.000 0.807 389 E N -0.291 119.828 120.200 -0.135 0.000 2.603 389 E HA 0.070 4.422 4.350 0.004 0.000 0.211 389 E C -0.318 176.223 176.600 -0.099 0.000 0.995 389 E CA -0.208 56.132 56.400 -0.100 0.000 0.990 389 E CB 0.125 29.794 29.700 -0.053 0.000 1.036 389 E HN 0.243 nan 8.360 nan 0.000 0.475 390 D N 2.054 122.377 120.400 -0.129 0.000 2.358 390 D HA 0.030 4.673 4.640 0.004 0.000 0.258 390 D C -1.638 174.620 176.300 -0.070 0.000 1.223 390 D CA -1.880 52.056 54.000 -0.107 0.000 0.886 390 D CB 1.330 42.015 40.800 -0.190 0.000 1.120 390 D HN -0.182 nan 8.370 nan 0.000 0.482 391 P HA -0.124 nan 4.420 nan 0.000 0.218 391 P C 1.044 178.295 177.300 -0.083 0.000 1.148 391 P CA 0.989 64.034 63.100 -0.091 0.000 0.822 391 P CB 0.227 31.864 31.700 -0.105 0.000 0.784 392 T N -1.710 112.824 114.554 -0.033 0.000 2.737 392 T HA -0.143 4.209 4.350 0.004 0.000 0.265 392 T C 1.498 176.199 174.700 0.001 0.000 1.038 392 T CA 1.473 63.558 62.100 -0.024 0.000 1.144 392 T CB -1.019 67.843 68.868 -0.009 0.000 0.866 392 T HN 0.227 nan 8.240 nan 0.000 0.434 393 H N 0.829 119.838 119.070 -0.101 0.000 2.387 393 H HA 0.094 4.652 4.556 0.004 0.000 0.299 393 H C 2.105 177.343 175.328 -0.150 0.000 1.090 393 H CA 0.967 56.953 56.048 -0.102 0.000 1.332 393 H CB -0.513 29.177 29.762 -0.121 0.000 1.386 393 H HN 0.223 nan 8.280 nan 0.000 0.516 394 L N -0.272 120.905 121.223 -0.077 0.000 2.027 394 L HA -0.142 4.200 4.340 0.004 0.000 0.206 394 L C 2.703 179.553 176.870 -0.033 0.000 1.074 394 L CA 1.240 55.933 54.840 -0.244 0.000 0.745 394 L CB -0.363 41.560 42.059 -0.225 0.000 0.898 394 L HN 0.183 nan 8.230 nan 0.000 0.433 395 R N 0.464 120.970 120.500 0.010 0.000 2.097 395 R HA -0.227 4.115 4.340 0.004 0.000 0.236 395 R C 1.889 178.334 176.300 0.242 0.000 1.135 395 R CA 2.397 58.575 56.100 0.131 0.000 0.934 395 R CB -0.310 29.921 30.300 -0.115 0.000 0.846 395 R HN 0.334 nan 8.270 nan 0.000 0.431 396 D N -0.014 120.471 120.400 0.142 0.000 2.178 396 D HA -0.114 4.528 4.640 0.004 0.000 0.201 396 D C 1.697 178.106 176.300 0.182 0.000 0.980 396 D CA 1.404 55.506 54.000 0.170 0.000 0.842 396 D CB -0.252 40.599 40.800 0.086 0.000 0.948 396 D HN 0.438 nan 8.370 nan 0.000 0.472 397 A N 0.557 123.460 122.820 0.139 0.000 1.930 397 A HA -0.139 4.183 4.320 0.004 0.000 0.217 397 A C 2.117 179.876 177.584 0.292 0.000 1.175 397 A CA 1.310 53.470 52.037 0.205 0.000 0.627 397 A CB -0.428 18.587 19.000 0.025 0.000 0.815 397 A HN 0.116 nan 8.150 nan 0.000 0.443 398 M N -0.055 119.766 119.600 0.369 0.000 2.080 398 M HA -0.104 4.379 4.480 0.004 0.000 0.260 398 M C 2.316 178.697 176.300 0.134 0.000 1.068 398 M CA 2.087 57.588 55.300 0.334 0.000 1.109 398 M CB -0.713 32.124 32.600 0.396 0.000 1.342 398 M HN 0.402 nan 8.290 nan 0.000 0.405 399 S N -0.358 115.448 115.700 0.178 0.000 2.353 399 S HA -0.155 4.317 4.470 0.004 0.000 0.222 399 S C 2.057 176.746 174.600 0.148 0.000 1.035 399 S CA 1.838 60.144 58.200 0.177 0.000 1.025 399 S CB -0.708 62.654 63.200 0.271 0.000 0.902 399 S HN 0.637 nan 8.310 nan 0.000 0.440 400 A N 0.743 123.669 122.820 0.177 0.000 1.940 400 A HA -0.031 4.292 4.320 0.004 0.000 0.219 400 A C 2.354 179.989 177.584 0.086 0.000 1.176 400 A CA 1.839 54.002 52.037 0.208 0.000 0.631 400 A CB -1.110 18.108 19.000 0.364 0.000 0.814 400 A HN 0.464 nan 8.150 nan 0.000 0.446 401 V N -0.405 119.421 119.914 -0.146 0.000 2.255 401 V HA -0.271 3.852 4.120 0.004 0.000 0.247 401 V C 2.588 178.603 176.094 -0.131 0.000 1.051 401 V CA 2.233 64.353 62.300 -0.301 0.000 1.018 401 V CB -0.830 30.816 31.823 -0.296 0.000 0.641 401 V HN 0.393 nan 8.190 nan 0.000 0.445 402 V N 0.640 120.510 119.914 -0.074 0.000 2.358 402 V HA -0.151 3.971 4.120 0.004 0.000 0.246 402 V C 2.572 178.585 176.094 -0.134 0.000 1.047 402 V CA 2.134 64.386 62.300 -0.080 0.000 1.035 402 V CB -1.331 30.492 31.823 -0.000 0.000 0.658 402 V HN 0.622 nan 8.190 nan 0.000 0.452 403 G N -0.421 108.360 108.800 -0.032 0.000 2.394 403 G HA2 -0.200 3.762 3.960 0.004 0.000 0.215 403 G HA3 -0.200 3.762 3.960 0.004 0.000 0.215 403 G C 1.222 176.065 174.900 -0.094 0.000 1.165 403 G CA 0.891 45.984 45.100 -0.011 0.000 0.784 403 G HN 0.495 nan 8.290 nan 0.000 0.535 404 D N -0.233 120.117 120.400 -0.083 0.000 2.117 404 D HA -0.071 4.572 4.640 0.004 0.000 0.198 404 D C 2.092 178.069 176.300 -0.540 0.000 0.982 404 D CA 1.126 55.038 54.000 -0.147 0.000 0.828 404 D CB -0.450 40.431 40.800 0.136 0.000 0.967 404 D HN 0.358 nan 8.370 nan 0.000 0.464 405 H N 1.119 119.592 119.070 -0.994 0.000 2.319 405 H HA -0.009 4.549 4.556 0.003 0.000 0.299 405 H C 1.507 176.433 175.328 -0.671 0.000 1.092 405 H CA 1.778 57.063 56.048 -1.272 0.000 1.302 405 H CB -0.015 29.029 29.762 -1.197 0.000 1.373 405 H HN 0.003 nan 8.280 nan 0.000 0.497 406 N N -0.850 117.415 118.700 -0.725 0.000 2.409 406 N HA -0.002 4.740 4.740 0.004 0.000 0.174 406 N C 1.290 176.564 175.510 -0.392 0.000 1.037 406 N CA 1.060 53.621 53.050 -0.814 0.000 0.898 406 N CB 1.028 38.480 38.487 -1.725 0.000 1.010 406 N HN 0.272 nan 8.380 nan 0.000 0.445 407 V N -0.567 119.183 119.914 -0.272 0.000 3.278 407 V HA 0.058 4.181 4.120 0.004 0.000 0.215 407 V C 2.145 178.208 176.094 -0.052 0.000 1.287 407 V CA 0.182 62.456 62.300 -0.043 0.000 1.302 407 V CB -0.104 31.770 31.823 0.085 0.000 1.228 407 V HN -0.181 nan 8.190 nan 0.000 0.523 408 V N 0.120 120.001 119.914 -0.055 0.000 2.295 408 V HA -0.288 3.835 4.120 0.004 0.000 0.246 408 V C 2.473 178.536 176.094 -0.051 0.000 1.049 408 V CA 2.620 64.901 62.300 -0.032 0.000 1.024 408 V CB -0.713 31.119 31.823 0.016 0.000 0.648 408 V HN 0.676 nan 8.190 nan 0.000 0.447 409 c N -0.665 117.894 118.600 -0.069 0.000 2.475 409 c HA 0.043 4.615 4.570 0.004 0.000 0.279 409 c C 0.527 174.588 174.090 -0.049 0.000 1.322 409 c CA 0.627 56.946 56.329 -0.017 0.000 1.734 409 c CB -1.702 40.837 42.510 0.048 0.000 2.005 409 c HN 0.454 nan 8.230 nan 0.000 0.495 410 P HA -0.096 nan 4.420 nan 0.000 0.216 410 P C 1.757 178.992 177.300 -0.108 0.000 1.153 410 P CA 1.468 64.495 63.100 -0.123 0.000 0.858 410 P CB -0.149 31.445 31.700 -0.177 0.000 0.789 411 V N 0.015 119.869 119.914 -0.101 0.000 2.307 411 V HA -0.249 3.873 4.120 0.004 0.000 0.245 411 V C 2.468 178.466 176.094 -0.160 0.000 1.045 411 V CA 2.207 64.432 62.300 -0.125 0.000 1.024 411 V CB -1.733 30.018 31.823 -0.120 0.000 0.651 411 V HN 0.099 nan 8.190 nan 0.000 0.449 412 A N -0.454 122.289 122.820 -0.128 0.000 1.883 412 A HA -0.357 3.965 4.320 0.004 0.000 0.217 412 A C 2.196 179.742 177.584 -0.063 0.000 1.186 412 A CA 2.491 54.463 52.037 -0.109 0.000 0.624 412 A CB -0.618 18.372 19.000 -0.016 0.000 0.822 412 A HN 0.579 nan 8.150 nan 0.000 0.444 413 Q N -0.854 118.923 119.800 -0.038 0.000 2.030 413 Q HA -0.167 4.175 4.340 0.004 0.000 0.204 413 Q C 1.926 177.898 176.000 -0.047 0.000 0.986 413 Q CA 1.871 57.663 55.803 -0.018 0.000 0.843 413 Q CB -0.432 28.294 28.738 -0.020 0.000 0.904 413 Q HN 0.532 nan 8.270 nan 0.000 0.420 414 L N 0.276 121.444 121.223 -0.092 0.000 1.989 414 L HA -0.147 4.195 4.340 0.004 0.000 0.211 414 L C 2.178 178.969 176.870 -0.131 0.000 1.071 414 L CA 2.465 57.234 54.840 -0.119 0.000 0.749 414 L CB -1.206 40.770 42.059 -0.139 0.000 0.890 414 L HN 0.301 nan 8.230 nan 0.000 0.431 415 A N -0.640 122.068 122.820 -0.187 0.000 1.917 415 A HA -0.148 4.174 4.320 0.004 0.000 0.219 415 A C 2.335 179.895 177.584 -0.040 0.000 1.182 415 A CA 1.875 53.755 52.037 -0.263 0.000 0.633 415 A CB -1.648 16.937 19.000 -0.692 0.000 0.819 415 A HN 0.574 nan 8.150 nan 0.000 0.448 416 G N -1.128 107.713 108.800 0.069 0.000 2.402 416 G HA2 -0.170 3.792 3.960 0.004 0.000 0.216 416 G HA3 -0.170 3.792 3.960 0.004 0.000 0.216 416 G C 1.720 176.687 174.900 0.113 0.000 1.162 416 G CA 0.634 45.860 45.100 0.210 0.000 0.777 416 G HN 0.423 nan 8.290 nan 0.000 0.539 417 R N -0.046 120.485 120.500 0.052 0.000 2.090 417 R HA 0.143 4.485 4.340 0.004 0.000 0.228 417 R C 2.599 178.930 176.300 0.052 0.000 1.110 417 R CA 0.405 56.536 56.100 0.051 0.000 0.973 417 R CB -0.619 29.698 30.300 0.029 0.000 0.869 417 R HN 0.375 nan 8.270 nan 0.000 0.440 418 L N 0.025 121.229 121.223 -0.032 0.000 2.056 418 L HA -0.092 4.250 4.340 0.004 0.000 0.207 418 L C 2.630 179.534 176.870 0.056 0.000 1.078 418 L CA 1.250 56.043 54.840 -0.078 0.000 0.749 418 L CB -0.632 41.309 42.059 -0.197 0.000 0.901 418 L HN 0.143 nan 8.230 nan 0.000 0.433 419 A N 0.089 122.958 122.820 0.081 0.000 1.898 419 A HA -0.108 4.215 4.320 0.004 0.000 0.216 419 A C 2.500 180.140 177.584 0.092 0.000 1.181 419 A CA 1.559 53.658 52.037 0.103 0.000 0.620 419 A CB -0.595 18.505 19.000 0.166 0.000 0.819 419 A HN 0.384 nan 8.150 nan 0.000 0.442 420 A N -1.392 121.486 122.820 0.097 0.000 2.015 420 A HA -0.097 4.225 4.320 0.004 0.000 0.219 420 A C 1.832 179.474 177.584 0.096 0.000 1.163 420 A CA 1.335 53.422 52.037 0.083 0.000 0.646 420 A CB -0.233 18.814 19.000 0.078 0.000 0.806 420 A HN 0.441 nan 8.150 nan 0.000 0.448 421 Q N -1.300 118.589 119.800 0.147 0.000 2.247 421 Q HA 0.243 4.585 4.340 0.004 0.000 0.205 421 Q C 1.026 177.135 176.000 0.182 0.000 0.896 421 Q CA 0.674 56.588 55.803 0.185 0.000 0.950 421 Q CB 0.358 29.308 28.738 0.353 0.000 1.054 421 Q HN 0.918 nan 8.270 nan 0.000 0.482 422 G N 0.123 109.005 108.800 0.137 0.000 2.195 422 G HA2 -0.241 3.721 3.960 0.004 0.000 0.224 422 G HA3 -0.241 3.721 3.960 0.004 0.000 0.224 422 G C 0.397 175.367 174.900 0.116 0.000 0.990 422 G CA -0.070 45.094 45.100 0.106 0.000 0.639 422 G HN 0.562 nan 8.290 nan 0.000 0.514 423 A N 0.008 122.916 122.820 0.148 0.000 2.425 423 A HA 0.694 5.017 4.320 0.004 0.000 0.242 423 A C 0.659 178.282 177.584 0.064 0.000 1.077 423 A CA 0.599 52.706 52.037 0.118 0.000 0.781 423 A CB 0.271 19.323 19.000 0.088 0.000 1.020 423 A HN 0.739 nan 8.150 nan 0.000 0.494 424 R N 1.452 121.987 120.500 0.058 0.000 2.216 424 R HA 0.484 4.826 4.340 0.004 0.000 0.332 424 R C -1.300 174.986 176.300 -0.023 0.000 1.056 424 R CA -0.057 56.043 56.100 -0.001 0.000 0.901 424 R CB 0.334 30.658 30.300 0.040 0.000 1.039 424 R HN 0.480 nan 8.270 nan 0.000 0.456 425 V N 5.533 125.369 119.914 -0.129 0.000 2.628 425 V HA 0.435 4.557 4.120 0.004 0.000 0.306 425 V C -1.013 174.913 176.094 -0.279 0.000 1.045 425 V CA -0.798 61.443 62.300 -0.098 0.000 0.905 425 V CB 1.623 33.446 31.823 0.001 0.000 0.997 425 V HN 0.637 nan 8.190 nan 0.000 0.436 426 Y N 1.793 122.051 120.300 -0.069 0.000 2.409 426 Y HA 0.792 5.343 4.550 0.002 0.000 0.343 426 Y C 0.261 176.245 175.900 0.140 0.000 0.973 426 Y CA -0.588 57.471 58.100 -0.067 0.000 1.064 426 Y CB 2.272 40.330 38.460 -0.670 0.000 1.207 426 Y HN 0.768 nan 8.280 nan 0.000 0.452 427 A N 3.061 126.273 122.820 0.654 0.000 2.386 427 A HA 0.850 5.172 4.320 0.004 0.000 0.311 427 A C -1.864 176.092 177.584 0.620 0.000 1.068 427 A CA -0.703 51.586 52.037 0.421 0.000 0.743 427 A CB 0.928 20.019 19.000 0.153 0.000 1.258 427 A HN 0.745 nan 8.150 nan 0.000 0.429 428 Y N -0.253 120.272 120.300 0.375 0.000 2.581 428 Y HA 0.802 5.353 4.550 0.002 0.000 0.345 428 Y C -1.070 174.985 175.900 0.259 0.000 1.036 428 Y CA -1.638 56.628 58.100 0.276 0.000 1.042 428 Y CB 1.356 39.960 38.460 0.239 0.000 1.289 428 Y HN 0.696 nan 8.280 nan 0.000 0.471 429 I N 3.314 124.171 120.570 0.479 0.000 2.436 429 I HA 0.476 4.648 4.170 0.004 0.000 0.289 429 I C -1.800 174.651 176.117 0.557 0.000 1.010 429 I CA -1.061 60.497 61.300 0.430 0.000 1.098 429 I CB 1.108 39.296 38.000 0.314 0.000 1.266 429 I HN 0.746 nan 8.210 nan 0.000 0.434 430 F N 7.417 127.649 119.950 0.470 0.000 2.405 430 F HA 0.419 4.948 4.527 0.004 0.000 0.355 430 F C 0.422 176.375 175.800 0.255 0.000 1.121 430 F CA 0.022 58.241 58.000 0.364 0.000 1.112 430 F CB 0.926 40.158 39.000 0.386 0.000 1.126 430 F HN 0.556 nan 8.300 nan 0.000 0.481 431 E N 3.299 123.302 120.200 -0.329 0.000 2.660 431 E HA -0.013 4.339 4.350 0.004 0.000 0.216 431 E C -0.846 175.550 176.600 -0.341 0.000 0.986 431 E CA -0.187 56.090 56.400 -0.205 0.000 1.037 431 E CB 0.296 29.942 29.700 -0.091 0.000 1.041 431 E HN 0.555 nan 8.360 nan 0.000 0.480 432 H N 1.457 120.024 119.070 -0.838 0.000 2.517 432 H HA 0.253 4.810 4.556 0.003 0.000 0.317 432 H C -0.436 174.779 175.328 -0.188 0.000 1.080 432 H CA -0.476 55.220 56.048 -0.586 0.000 1.301 432 H CB 0.623 29.863 29.762 -0.870 0.000 1.425 432 H HN -0.156 nan 8.280 nan 0.000 0.471 433 R N 4.168 124.270 120.500 -0.662 0.000 2.216 433 R HA 0.456 4.798 4.340 0.004 0.000 0.332 433 R C -0.565 175.446 176.300 -0.481 0.000 1.056 433 R CA -0.594 55.295 56.100 -0.351 0.000 0.901 433 R CB 0.262 30.451 30.300 -0.185 0.000 1.039 433 R HN 0.829 nan 8.270 nan 0.000 0.456 434 A N 3.102 125.958 122.820 0.060 0.000 2.546 434 A HA -0.014 4.309 4.320 0.004 0.000 0.243 434 A C 1.373 179.056 177.584 0.166 0.000 1.063 434 A CA 0.549 52.829 52.037 0.406 0.000 0.757 434 A CB 0.290 19.663 19.000 0.622 0.000 0.991 434 A HN 1.015 nan 8.150 nan 0.000 0.503 435 S N 1.597 117.426 115.700 0.215 0.000 2.440 435 S HA -0.170 4.303 4.470 0.004 0.000 0.238 435 S C 1.301 175.896 174.600 -0.007 0.000 1.010 435 S CA 1.685 59.939 58.200 0.089 0.000 0.972 435 S CB -0.792 62.481 63.200 0.122 0.000 0.774 435 S HN 1.291 nan 8.310 nan 0.000 0.501 436 T N -1.086 113.426 114.554 -0.069 0.000 3.122 436 T HA 0.380 4.732 4.350 0.004 0.000 0.250 436 T C 0.295 174.926 174.700 -0.115 0.000 1.067 436 T CA -0.604 61.390 62.100 -0.177 0.000 0.966 436 T CB -0.318 68.289 68.868 -0.435 0.000 1.002 436 T HN 0.210 nan 8.240 nan 0.000 0.542 437 L N 4.162 125.360 121.223 -0.040 0.000 2.455 437 L HA 0.331 4.673 4.340 0.004 0.000 0.272 437 L C 1.469 178.298 176.870 -0.067 0.000 1.174 437 L CA 0.525 55.342 54.840 -0.038 0.000 0.869 437 L CB 0.896 42.941 42.059 -0.023 0.000 1.130 437 L HN 0.439 nan 8.230 nan 0.000 0.474 438 T N -0.333 114.140 114.554 -0.135 0.000 3.060 438 T HA 0.082 4.434 4.350 0.004 0.000 0.249 438 T C 0.436 175.133 174.700 -0.004 0.000 1.079 438 T CA -0.412 61.606 62.100 -0.137 0.000 1.013 438 T CB -0.309 68.358 68.868 -0.337 0.000 0.975 438 T HN 0.403 nan 8.240 nan 0.000 0.518 439 W N 3.454 124.773 121.300 0.032 0.000 2.150 439 W HA 0.402 5.065 4.660 0.005 0.000 0.341 439 W C -1.944 174.494 176.519 -0.134 0.000 1.276 439 W CA -2.134 55.210 57.345 -0.003 0.000 1.238 439 W CB 0.197 29.578 29.460 -0.132 0.000 1.128 439 W HN -0.011 nan 8.180 nan 0.000 0.581 440 P HA 0.041 nan 4.420 nan 0.000 0.274 440 P C 0.493 177.711 177.300 -0.137 0.000 1.246 440 P CA -0.060 63.008 63.100 -0.054 0.000 0.795 440 P CB 0.914 32.596 31.700 -0.031 0.000 1.006 441 L N 0.041 121.250 121.223 -0.025 0.000 2.083 441 L HA -0.132 4.210 4.340 0.004 0.000 0.209 441 L C 2.627 179.516 176.870 0.031 0.000 1.083 441 L CA 1.457 56.301 54.840 0.007 0.000 0.752 441 L CB -0.930 41.166 42.059 0.061 0.000 0.899 441 L HN 0.603 nan 8.230 nan 0.000 0.433 442 W N -0.408 120.929 121.300 0.062 0.000 2.387 442 W HA -0.193 4.469 4.660 0.003 0.000 0.272 442 W C 1.705 178.276 176.519 0.087 0.000 1.224 442 W CA 0.629 58.014 57.345 0.067 0.000 1.210 442 W CB -0.825 28.676 29.460 0.068 0.000 1.125 442 W HN 0.204 nan 8.180 nan 0.000 0.572 443 M N 1.297 120.554 119.600 -0.572 0.000 2.562 443 M HA 0.124 4.606 4.480 0.004 0.000 0.257 443 M C 1.791 177.993 176.300 -0.164 0.000 1.099 443 M CA 1.459 56.413 55.300 -0.576 0.000 1.099 443 M CB -0.665 31.435 32.600 -0.834 0.000 1.427 443 M HN 0.207 nan 8.290 nan 0.000 0.489 444 G N 0.711 109.471 108.800 -0.067 0.000 2.561 444 G HA2 -0.286 3.676 3.960 0.004 0.000 0.289 444 G HA3 -0.286 3.676 3.960 0.004 0.000 0.289 444 G C -0.141 174.764 174.900 0.008 0.000 1.169 444 G CA -0.168 44.937 45.100 0.009 0.000 0.980 444 G HN 0.229 nan 8.290 nan 0.000 0.550 445 V N 3.735 123.694 119.914 0.075 0.000 2.259 445 V HA 0.473 4.595 4.120 0.004 0.000 0.267 445 V C -1.864 174.355 176.094 0.209 0.000 1.051 445 V CA -0.771 61.623 62.300 0.156 0.000 0.830 445 V CB 1.130 33.081 31.823 0.213 0.000 1.080 445 V HN 0.536 nan 8.190 nan 0.000 0.467 446 P HA 0.194 nan 4.420 nan 0.000 0.276 446 P C -0.198 177.313 177.300 0.352 0.000 1.252 446 P CA -0.527 62.683 63.100 0.185 0.000 0.802 446 P CB 0.393 32.073 31.700 -0.033 0.000 1.035 447 H N 0.756 119.912 119.070 0.143 0.000 3.167 447 H HA 0.194 4.752 4.556 0.003 0.000 0.306 447 H C 1.583 176.854 175.328 -0.096 0.000 0.965 447 H CA 2.471 58.550 56.048 0.053 0.000 1.408 447 H CB -0.659 29.115 29.762 0.021 0.000 1.406 447 H HN 0.764 nan 8.280 nan 0.000 0.576 448 G N 3.391 111.992 108.800 -0.332 0.000 2.213 448 G HA2 -0.308 3.654 3.960 0.004 0.000 0.236 448 G HA3 -0.308 3.654 3.960 0.004 0.000 0.236 448 G C 0.558 175.322 174.900 -0.227 0.000 0.991 448 G CA 0.339 45.172 45.100 -0.445 0.000 0.629 448 G HN 0.639 nan 8.290 nan 0.000 0.517 449 Y N 1.575 121.967 120.300 0.153 0.000 2.493 449 Y HA 0.262 4.814 4.550 0.003 0.000 0.275 449 Y C 2.276 178.330 175.900 0.256 0.000 1.183 449 Y CA 0.818 59.088 58.100 0.283 0.000 1.258 449 Y CB 0.434 39.097 38.460 0.339 0.000 1.108 449 Y HN 0.491 nan 8.280 nan 0.000 0.521 450 E N 0.277 120.450 120.200 -0.044 0.000 2.276 450 E HA -0.065 4.287 4.350 0.004 0.000 0.193 450 E C 1.633 178.118 176.600 -0.193 0.000 0.983 450 E CA 0.737 56.769 56.400 -0.614 0.000 0.861 450 E CB -0.381 28.637 29.700 -1.137 0.000 0.817 450 E HN 0.533 nan 8.360 nan 0.000 0.485 451 I N 2.862 123.409 120.570 -0.039 0.000 2.163 451 I HA -0.306 3.866 4.170 0.004 0.000 0.243 451 I C 2.751 178.861 176.117 -0.012 0.000 1.085 451 I CA 2.130 63.451 61.300 0.035 0.000 1.347 451 I CB -0.575 37.502 38.000 0.129 0.000 1.044 451 I HN 0.225 nan 8.210 nan 0.000 0.408 452 E N 1.152 121.293 120.200 -0.097 0.000 2.219 452 E HA -0.250 4.102 4.350 0.004 0.000 0.198 452 E C 2.015 178.366 176.600 -0.416 0.000 0.998 452 E CA 1.617 57.853 56.400 -0.274 0.000 0.818 452 E CB -0.541 28.976 29.700 -0.305 0.000 0.741 452 E HN 0.467 nan 8.360 nan 0.000 0.477 453 F N 1.230 121.063 119.950 -0.195 0.000 2.270 453 F HA 0.105 4.636 4.527 0.007 0.000 0.295 453 F C 2.364 177.921 175.800 -0.405 0.000 1.087 453 F CA 0.549 58.371 58.000 -0.298 0.000 1.365 453 F CB -0.045 38.837 39.000 -0.197 0.000 1.056 453 F HN -0.053 nan 8.300 nan 0.000 0.506 454 I N -1.178 119.231 120.570 -0.269 0.000 2.315 454 I HA -0.265 3.907 4.170 0.004 0.000 0.248 454 I C 1.911 177.787 176.117 -0.403 0.000 1.117 454 I CA 1.584 62.575 61.300 -0.516 0.000 1.404 454 I CB -0.751 36.808 38.000 -0.735 0.000 1.071 454 I HN 0.070 nan 8.210 nan 0.000 0.419 455 F N 1.210 120.967 119.950 -0.322 0.000 2.748 455 F HA 0.107 4.636 4.527 0.004 0.000 0.299 455 F C 1.847 177.490 175.800 -0.262 0.000 1.154 455 F CA 0.955 58.805 58.000 -0.251 0.000 1.446 455 F CB -0.333 38.506 39.000 -0.268 0.000 1.112 455 F HN 0.269 nan 8.300 nan 0.000 0.584 456 G N -0.131 108.494 108.800 -0.292 0.000 2.137 456 G HA2 -0.287 3.675 3.960 0.004 0.000 0.237 456 G HA3 -0.287 3.675 3.960 0.004 0.000 0.237 456 G C 0.925 175.200 174.900 -1.041 0.000 1.002 456 G CA 0.274 45.072 45.100 -0.503 0.000 0.702 456 G HN 0.286 nan 8.290 nan 0.000 0.515 457 L N 0.392 121.065 121.223 -0.915 0.000 2.079 457 L HA 0.045 4.387 4.340 0.004 0.000 0.210 457 L C 0.515 176.850 176.870 -0.892 0.000 1.081 457 L CA 2.659 56.917 54.840 -0.969 0.000 0.752 457 L CB -1.034 40.714 42.059 -0.518 0.000 0.896 457 L HN 0.197 nan 8.230 nan 0.000 0.433 458 P HA -0.182 nan 4.420 nan 0.000 0.220 458 P C 1.637 178.693 177.300 -0.408 0.000 1.144 458 P CA 0.975 63.511 63.100 -0.939 0.000 0.800 458 P CB 0.011 31.182 31.700 -0.883 0.000 0.772 459 L N -1.196 119.743 121.223 -0.474 0.000 2.353 459 L HA -0.067 4.275 4.340 0.004 0.000 0.220 459 L C 0.920 177.724 176.870 -0.111 0.000 1.133 459 L CA 1.216 55.901 54.840 -0.258 0.000 0.798 459 L CB -1.376 40.548 42.059 -0.225 0.000 0.922 459 L HN -0.013 nan 8.230 nan 0.000 0.445 460 D N -0.294 120.014 120.400 -0.152 0.000 2.339 460 D HA 0.108 4.750 4.640 0.004 0.000 0.241 460 D C -1.687 174.639 176.300 0.043 0.000 1.183 460 D CA -2.140 51.891 54.000 0.051 0.000 0.859 460 D CB 1.553 42.426 40.800 0.122 0.000 1.067 460 D HN -0.031 nan 8.370 nan 0.000 0.484 461 P HA -0.110 nan 4.420 nan 0.000 0.221 461 P C 1.312 178.632 177.300 0.032 0.000 1.150 461 P CA 0.765 63.889 63.100 0.039 0.000 0.800 461 P CB 0.071 31.789 31.700 0.030 0.000 0.787 462 S N -0.559 115.158 115.700 0.028 0.000 2.469 462 S HA -0.100 4.373 4.470 0.004 0.000 0.238 462 S C 1.677 176.274 174.600 -0.006 0.000 0.998 462 S CA 0.921 59.126 58.200 0.008 0.000 0.957 462 S CB -1.489 61.715 63.200 0.007 0.000 0.764 462 S HN 0.131 nan 8.310 nan 0.000 0.514 463 L N 0.626 121.860 121.223 0.018 0.000 2.558 463 L HA 0.179 4.521 4.340 0.004 0.000 0.225 463 L C 0.347 177.158 176.870 -0.099 0.000 1.128 463 L CA 0.031 54.860 54.840 -0.018 0.000 0.868 463 L CB -0.752 41.366 42.059 0.099 0.000 1.006 463 L HN 0.234 nan 8.230 nan 0.000 0.454 464 N N -1.792 116.893 118.700 -0.026 0.000 2.782 464 N HA -0.234 4.508 4.740 0.004 0.000 0.251 464 N C -0.266 175.206 175.510 -0.062 0.000 1.101 464 N CA 0.859 53.877 53.050 -0.053 0.000 0.764 464 N CB -1.845 36.582 38.487 -0.100 0.000 1.122 464 N HN 0.313 nan 8.380 nan 0.000 0.561 465 Y N 1.109 121.397 120.300 -0.020 0.000 2.385 465 Y HA 0.118 4.670 4.550 0.004 0.000 0.346 465 Y C 2.035 177.958 175.900 0.038 0.000 1.270 465 Y CA 0.455 58.568 58.100 0.022 0.000 1.472 465 Y CB 0.362 38.825 38.460 0.005 0.000 1.354 465 Y HN 0.081 nan 8.280 nan 0.000 0.611 466 T N -2.949 111.757 114.554 0.252 0.000 2.828 466 T HA 0.053 4.405 4.350 0.004 0.000 0.290 466 T C 1.123 175.900 174.700 0.128 0.000 1.019 466 T CA -0.385 61.807 62.100 0.152 0.000 1.031 466 T CB 0.919 69.869 68.868 0.136 0.000 1.001 466 T HN 0.706 nan 8.240 nan 0.000 0.531 467 T N 1.027 115.628 114.554 0.079 0.000 2.788 467 T HA -0.084 4.268 4.350 0.004 0.000 0.268 467 T C 1.766 176.497 174.700 0.052 0.000 1.044 467 T CA 1.798 63.931 62.100 0.055 0.000 1.139 467 T CB -0.418 68.471 68.868 0.036 0.000 0.867 467 T HN 0.763 nan 8.240 nan 0.000 0.454 468 E N 1.057 121.287 120.200 0.050 0.000 2.150 468 E HA -0.064 4.288 4.350 0.004 0.000 0.193 468 E C 2.208 178.840 176.600 0.052 0.000 0.985 468 E CA 0.858 57.274 56.400 0.026 0.000 0.814 468 E CB -0.119 29.575 29.700 -0.009 0.000 0.752 468 E HN 0.560 nan 8.360 nan 0.000 0.466 469 E N 0.406 120.676 120.200 0.116 0.000 2.106 469 E HA -0.129 4.223 4.350 0.004 0.000 0.192 469 E C 2.087 178.795 176.600 0.180 0.000 0.984 469 E CA 0.403 56.947 56.400 0.240 0.000 0.806 469 E CB -0.013 29.950 29.700 0.438 0.000 0.750 469 E HN 0.099 nan 8.360 nan 0.000 0.458 470 R N 0.855 121.398 120.500 0.072 0.000 2.083 470 R HA -0.162 4.180 4.340 0.004 0.000 0.237 470 R C 2.265 178.566 176.300 0.002 0.000 1.137 470 R CA 1.331 57.423 56.100 -0.012 0.000 0.951 470 R CB -0.239 30.054 30.300 -0.011 0.000 0.851 470 R HN 0.163 nan 8.270 nan 0.000 0.434 471 I N 0.103 120.695 120.570 0.036 0.000 2.252 471 I HA -0.273 3.899 4.170 0.004 0.000 0.245 471 I C 2.220 178.379 176.117 0.071 0.000 1.102 471 I CA 0.896 62.216 61.300 0.033 0.000 1.385 471 I CB -0.348 37.672 38.000 0.033 0.000 1.064 471 I HN 0.163 nan 8.210 nan 0.000 0.414 472 F N 2.029 121.939 119.950 -0.067 0.000 2.095 472 F HA -0.243 4.285 4.527 0.003 0.000 0.298 472 F C 2.456 178.240 175.800 -0.025 0.000 1.104 472 F CA 1.295 59.248 58.000 -0.079 0.000 1.232 472 F CB -0.679 38.210 39.000 -0.184 0.000 0.987 472 F HN 0.022 nan 8.300 nan 0.000 0.475 473 A N 0.076 122.835 122.820 -0.102 0.000 1.908 473 A HA -0.257 4.065 4.320 0.004 0.000 0.218 473 A C 2.171 179.616 177.584 -0.231 0.000 1.181 473 A CA 1.930 53.841 52.037 -0.209 0.000 0.627 473 A CB -0.940 17.951 19.000 -0.182 0.000 0.818 473 A HN 0.616 nan 8.150 nan 0.000 0.445 474 Q N -0.834 118.873 119.800 -0.154 0.000 2.084 474 Q HA -0.180 4.162 4.340 0.004 0.000 0.202 474 Q C 2.387 178.284 176.000 -0.171 0.000 0.978 474 Q CA 1.523 57.245 55.803 -0.136 0.000 0.844 474 Q CB -0.197 28.490 28.738 -0.084 0.000 0.898 474 Q HN 0.627 nan 8.270 nan 0.000 0.426 475 R N 0.381 120.771 120.500 -0.184 0.000 2.083 475 R HA -0.143 4.199 4.340 0.004 0.000 0.237 475 R C 2.365 178.423 176.300 -0.405 0.000 1.137 475 R CA 1.307 57.228 56.100 -0.299 0.000 0.951 475 R CB -0.416 29.783 30.300 -0.168 0.000 0.851 475 R HN 0.241 nan 8.270 nan 0.000 0.434 476 L N 0.139 121.192 121.223 -0.284 0.000 2.012 476 L HA -0.218 4.124 4.340 0.004 0.000 0.210 476 L C 2.575 179.380 176.870 -0.108 0.000 1.073 476 L CA 1.460 56.205 54.840 -0.160 0.000 0.748 476 L CB -0.373 41.412 42.059 -0.456 0.000 0.891 476 L HN 0.264 nan 8.230 nan 0.000 0.431 477 M N -0.708 118.772 119.600 -0.200 0.000 2.149 477 M HA -0.223 4.259 4.480 0.004 0.000 0.261 477 M C 2.250 178.536 176.300 -0.023 0.000 1.064 477 M CA 1.689 56.907 55.300 -0.137 0.000 1.102 477 M CB -0.346 32.163 32.600 -0.151 0.000 1.369 477 M HN 0.122 nan 8.290 nan 0.000 0.408 478 K N -0.447 119.906 120.400 -0.077 0.000 2.057 478 K HA -0.135 4.187 4.320 0.004 0.000 0.206 478 K C 1.899 178.544 176.600 0.074 0.000 1.050 478 K CA 1.408 57.662 56.287 -0.055 0.000 0.935 478 K CB -0.228 32.179 32.500 -0.155 0.000 0.715 478 K HN 0.269 nan 8.250 nan 0.000 0.439 479 Y N -0.025 120.403 120.300 0.213 0.000 2.145 479 Y HA -0.227 4.327 4.550 0.007 0.000 0.286 479 Y C 2.236 178.267 175.900 0.219 0.000 1.145 479 Y CA 0.798 59.054 58.100 0.260 0.000 1.148 479 Y CB -0.691 38.066 38.460 0.495 0.000 0.981 479 Y HN 0.228 nan 8.280 nan 0.000 0.507 480 W N 0.507 121.875 121.300 0.114 0.000 2.381 480 W HA -0.200 4.462 4.660 0.002 0.000 0.301 480 W C 2.383 178.897 176.519 -0.009 0.000 1.205 480 W CA 2.113 59.463 57.345 0.009 0.000 1.285 480 W CB -0.460 28.930 29.460 -0.117 0.000 1.133 480 W HN 0.236 nan 8.180 nan 0.000 0.521 481 T N -2.517 112.140 114.554 0.171 0.000 2.978 481 T HA -0.099 4.254 4.350 0.004 0.000 0.262 481 T C 1.438 176.159 174.700 0.035 0.000 1.063 481 T CA 0.964 63.097 62.100 0.054 0.000 1.140 481 T CB -0.581 68.298 68.868 0.017 0.000 0.886 481 T HN -0.111 nan 8.240 nan 0.000 0.470 482 N N 1.160 119.898 118.700 0.063 0.000 2.069 482 N HA -0.039 4.703 4.740 0.004 0.000 0.191 482 N C 1.381 176.883 175.510 -0.013 0.000 1.031 482 N CA 1.184 54.252 53.050 0.029 0.000 0.852 482 N CB -0.735 37.790 38.487 0.063 0.000 1.018 482 N HN 0.465 nan 8.380 nan 0.000 0.423 483 F N 1.728 121.593 119.950 -0.143 0.000 2.102 483 F HA -0.115 4.414 4.527 0.004 0.000 0.298 483 F C 2.213 177.930 175.800 -0.138 0.000 1.105 483 F CA 1.459 59.326 58.000 -0.223 0.000 1.239 483 F CB -0.658 38.121 39.000 -0.369 0.000 0.991 483 F HN 0.049 nan 8.300 nan 0.000 0.474 484 A N 0.599 123.318 122.820 -0.168 0.000 1.927 484 A HA -0.295 4.027 4.320 0.004 0.000 0.220 484 A C 2.447 179.908 177.584 -0.205 0.000 1.185 484 A CA 2.198 54.121 52.037 -0.189 0.000 0.639 484 A CB -0.966 17.999 19.000 -0.058 0.000 0.820 484 A HN 0.529 nan 8.150 nan 0.000 0.451 485 R N -1.170 119.241 120.500 -0.148 0.000 2.075 485 R HA -0.080 4.263 4.340 0.004 0.000 0.226 485 R C 1.889 178.104 176.300 -0.141 0.000 1.114 485 R CA 1.942 57.974 56.100 -0.114 0.000 0.972 485 R CB -0.094 30.168 30.300 -0.064 0.000 0.869 485 R HN 0.666 nan 8.270 nan 0.000 0.437 486 T N -5.263 109.185 114.554 -0.175 0.000 2.975 486 T HA 0.241 4.593 4.350 0.004 0.000 0.261 486 T C 1.029 175.612 174.700 -0.193 0.000 0.984 486 T CA 0.397 62.411 62.100 -0.143 0.000 0.911 486 T CB 1.115 69.934 68.868 -0.082 0.000 1.127 486 T HN 0.325 nan 8.240 nan 0.000 0.514 487 G N 1.452 110.014 108.800 -0.396 0.000 2.153 487 G HA2 -0.175 3.787 3.960 0.004 0.000 0.252 487 G HA3 -0.175 3.787 3.960 0.004 0.000 0.252 487 G C -0.366 174.471 174.900 -0.105 0.000 0.994 487 G CA 0.259 45.062 45.100 -0.495 0.000 0.698 487 G HN 0.813 nan 8.290 nan 0.000 0.521 488 D N -0.880 119.450 120.400 -0.117 0.000 2.736 488 D HA 0.429 5.072 4.640 0.004 0.000 0.243 488 D C -1.328 174.829 176.300 -0.239 0.000 1.304 488 D CA -1.625 52.265 54.000 -0.183 0.000 0.934 488 D CB 1.979 42.753 40.800 -0.042 0.000 1.382 488 D HN -0.008 nan 8.370 nan 0.000 0.571 489 P HA -0.038 nan 4.420 nan 0.000 0.233 489 P C 0.015 177.340 177.300 0.042 0.000 1.167 489 P CA 0.141 63.073 63.100 -0.279 0.000 0.770 489 P CB 0.411 31.636 31.700 -0.792 0.000 0.837 490 N N 1.501 120.193 118.700 -0.013 0.000 2.525 490 N HA 0.047 4.789 4.740 0.004 0.000 0.271 490 N C -0.204 175.372 175.510 0.110 0.000 1.194 490 N CA 0.209 53.342 53.050 0.138 0.000 0.964 490 N CB 0.438 38.998 38.487 0.121 0.000 1.126 490 N HN 0.018 nan 8.380 nan 0.000 0.452 491 D N 1.082 121.559 120.400 0.129 0.000 2.295 491 D HA 0.175 4.817 4.640 0.004 0.000 0.248 491 D C -1.349 174.992 176.300 0.069 0.000 1.154 491 D CA -1.656 52.392 54.000 0.080 0.000 0.857 491 D CB 1.155 41.997 40.800 0.070 0.000 1.117 491 D HN 0.257 nan 8.370 nan 0.000 0.468 492 P HA -0.113 nan 4.420 nan 0.000 0.220 492 P C 0.825 178.151 177.300 0.043 0.000 1.148 492 P CA 0.954 64.081 63.100 0.045 0.000 0.803 492 P CB 0.386 32.105 31.700 0.031 0.000 0.782 493 R N -0.112 120.411 120.500 0.039 0.000 2.057 493 R HA 0.013 4.356 4.340 0.004 0.000 0.224 493 R C 1.011 177.336 176.300 0.041 0.000 1.136 493 R CA 0.504 56.625 56.100 0.035 0.000 0.968 493 R CB -1.003 29.314 30.300 0.028 0.000 0.863 493 R HN 0.086 nan 8.270 nan 0.000 0.433 494 D N 1.198 121.627 120.400 0.047 0.000 2.359 494 D HA -0.047 4.596 4.640 0.004 0.000 0.273 494 D C 0.816 177.155 176.300 0.064 0.000 1.362 494 D CA 0.088 54.120 54.000 0.054 0.000 1.010 494 D CB 0.763 41.599 40.800 0.060 0.000 1.090 494 D HN 0.203 nan 8.370 nan 0.000 0.521 495 S N 3.131 118.864 115.700 0.055 0.000 2.355 495 S HA -0.076 4.396 4.470 0.004 0.000 0.216 495 S C 2.145 176.781 174.600 0.060 0.000 1.037 495 S CA 0.831 59.065 58.200 0.057 0.000 0.955 495 S CB -0.497 62.730 63.200 0.045 0.000 0.877 495 S HN 0.408 nan 8.310 nan 0.000 0.488 496 K N 1.378 121.808 120.400 0.051 0.000 2.288 496 K HA 0.277 4.599 4.320 0.004 0.000 0.201 496 K C 1.403 178.036 176.600 0.055 0.000 1.048 496 K CA 1.021 57.336 56.287 0.048 0.000 0.956 496 K CB -1.181 31.341 32.500 0.038 0.000 0.746 496 K HN 0.494 nan 8.250 nan 0.000 0.461 497 S N 1.399 117.139 115.700 0.066 0.000 2.563 497 S HA 0.240 4.712 4.470 0.004 0.000 0.284 497 S C -2.506 172.151 174.600 0.096 0.000 1.331 497 S CA -1.341 56.907 58.200 0.081 0.000 1.047 497 S CB 0.595 63.852 63.200 0.096 0.000 0.859 497 S HN 0.363 nan 8.310 nan 0.000 0.514 498 P HA 0.200 nan 4.420 nan 0.000 0.271 498 P C -0.757 176.626 177.300 0.138 0.000 1.216 498 P CA -0.294 62.863 63.100 0.095 0.000 0.776 498 P CB 0.402 32.142 31.700 0.068 0.000 0.881 499 Q N 0.923 120.808 119.800 0.142 0.000 2.227 499 Q HA 0.225 4.567 4.340 0.004 0.000 0.245 499 Q C -0.804 175.351 176.000 0.257 0.000 0.926 499 Q CA -0.111 55.812 55.803 0.199 0.000 0.895 499 Q CB 1.201 30.044 28.738 0.174 0.000 1.230 499 Q HN 0.561 nan 8.270 nan 0.000 0.450 500 W N 5.922 127.276 121.300 0.089 0.000 2.288 500 W HA 0.340 5.002 4.660 0.004 0.000 0.325 500 W C -2.498 174.168 176.519 0.245 0.000 1.019 500 W CA -2.565 54.845 57.345 0.108 0.000 1.403 500 W CB 0.484 29.939 29.460 -0.008 0.000 1.226 500 W HN 0.363 nan 8.180 nan 0.000 0.391 501 P HA 0.284 nan 4.420 nan 0.000 0.281 501 P C -2.609 174.895 177.300 0.341 0.000 1.249 501 P CA -1.715 61.608 63.100 0.373 0.000 0.810 501 P CB 0.978 32.810 31.700 0.219 0.000 1.008 502 P HA 0.045 nan 4.420 nan 0.000 0.267 502 P C -0.551 176.746 177.300 -0.006 0.000 1.200 502 P CA 0.197 63.103 63.100 -0.323 0.000 0.772 502 P CB 0.028 31.501 31.700 -0.379 0.000 0.855 503 Y N 2.744 122.996 120.300 -0.080 0.000 2.377 503 Y HA 0.325 4.881 4.550 0.009 0.000 0.330 503 Y C 0.451 176.343 175.900 -0.014 0.000 1.108 503 Y CA 0.700 58.815 58.100 0.024 0.000 1.308 503 Y CB 0.280 38.773 38.460 0.056 0.000 1.216 503 Y HN 0.404 nan 8.280 nan 0.000 0.518 504 T N 0.099 114.404 114.554 -0.416 0.000 2.901 504 T HA 0.246 4.598 4.350 0.004 0.000 0.293 504 T C 0.902 175.364 174.700 -0.397 0.000 1.084 504 T CA -0.226 61.719 62.100 -0.259 0.000 1.008 504 T CB 1.259 70.045 68.868 -0.137 0.000 1.170 504 T HN 0.642 nan 8.240 nan 0.000 0.509 505 T N -0.586 113.878 114.554 -0.149 0.000 2.788 505 T HA -0.035 4.317 4.350 0.004 0.000 0.268 505 T C 2.263 176.903 174.700 -0.099 0.000 1.044 505 T CA 1.068 63.116 62.100 -0.086 0.000 1.139 505 T CB -0.876 67.995 68.868 0.005 0.000 0.867 505 T HN 0.865 nan 8.240 nan 0.000 0.454 506 A N 1.818 124.585 122.820 -0.088 0.000 1.855 506 A HA 0.467 4.790 4.320 0.004 0.000 0.215 506 A C 2.681 180.219 177.584 -0.076 0.000 1.191 506 A CA 1.729 53.730 52.037 -0.059 0.000 0.613 506 A CB -1.171 17.806 19.000 -0.039 0.000 0.829 506 A HN 0.749 nan 8.150 nan 0.000 0.442 507 A N -2.453 120.296 122.820 -0.118 0.000 2.115 507 A HA 0.289 4.611 4.320 0.004 0.000 0.211 507 A C 0.975 178.477 177.584 -0.137 0.000 1.169 507 A CA 0.858 52.838 52.037 -0.096 0.000 0.787 507 A CB -0.188 18.771 19.000 -0.067 0.000 0.858 507 A HN 0.531 nan 8.150 nan 0.000 0.474 508 Q N -0.298 119.294 119.800 -0.347 0.000 2.457 508 Q HA -0.225 4.117 4.340 0.004 0.000 0.283 508 Q C -0.625 175.354 176.000 -0.036 0.000 1.234 508 Q CA 0.717 56.231 55.803 -0.482 0.000 0.877 508 Q CB -1.729 26.951 28.738 -0.096 0.000 1.250 508 Q HN 0.833 nan 8.270 nan 0.000 0.481 509 Q N 0.225 120.013 119.800 -0.020 0.000 2.293 509 Q HA 0.506 4.848 4.340 0.004 0.000 0.251 509 Q C -0.408 175.860 176.000 0.447 0.000 0.930 509 Q CA -0.007 55.899 55.803 0.172 0.000 0.893 509 Q CB 0.661 29.455 28.738 0.093 0.000 1.215 509 Q HN 0.339 nan 8.270 nan 0.000 0.425 510 Y N -2.021 118.407 120.300 0.213 0.000 2.656 510 Y HA 0.649 5.209 4.550 0.017 0.000 0.334 510 Y C -1.355 174.560 175.900 0.025 0.000 1.179 510 Y CA -1.529 56.698 58.100 0.211 0.000 1.050 510 Y CB 0.526 39.122 38.460 0.227 0.000 1.308 510 Y HN 0.351 nan 8.280 nan 0.000 0.456 511 V N 0.069 119.926 119.914 -0.095 0.000 2.667 511 V HA 0.823 4.945 4.120 0.004 0.000 0.308 511 V C -0.087 175.929 176.094 -0.130 0.000 1.048 511 V CA -0.444 61.645 62.300 -0.352 0.000 0.928 511 V CB 1.215 32.528 31.823 -0.850 0.000 1.004 511 V HN 1.209 nan 8.190 nan 0.000 0.444 512 S N 4.624 120.249 115.700 -0.125 0.000 2.499 512 S HA 0.641 5.114 4.470 0.004 0.000 0.275 512 S C -0.427 174.156 174.600 -0.029 0.000 1.257 512 S CA -0.626 57.571 58.200 -0.006 0.000 1.050 512 S CB 0.414 63.599 63.200 -0.024 0.000 0.937 512 S HN 0.756 nan 8.310 nan 0.000 0.490 513 L N 4.380 125.646 121.223 0.072 0.000 2.277 513 L HA 0.501 4.843 4.340 0.004 0.000 0.284 513 L C -0.215 176.653 176.870 -0.004 0.000 1.028 513 L CA -0.454 54.477 54.840 0.151 0.000 0.835 513 L CB -0.015 42.236 42.059 0.321 0.000 1.215 513 L HN 0.928 nan 8.230 nan 0.000 0.425 514 N N 2.104 120.711 118.700 -0.155 0.000 3.344 514 N HA 0.335 5.077 4.740 0.004 0.000 0.296 514 N C 0.217 175.225 175.510 -0.837 0.000 1.571 514 N CA -0.984 51.675 53.050 -0.652 0.000 0.844 514 N CB 0.612 38.871 38.487 -0.381 0.000 1.718 514 N HN 0.191 nan 8.380 nan 0.000 0.589 515 L N -1.198 119.515 121.223 -0.850 0.000 2.362 515 L HA 0.072 4.414 4.340 0.004 0.000 0.219 515 L C 0.443 177.161 176.870 -0.253 0.000 1.134 515 L CA 0.955 55.441 54.840 -0.589 0.000 0.807 515 L CB -0.585 41.197 42.059 -0.461 0.000 0.927 515 L HN 0.390 nan 8.230 nan 0.000 0.447 516 K N -0.099 120.184 120.400 -0.196 0.000 2.087 516 K HA 0.315 4.637 4.320 0.004 0.000 0.255 516 K C -2.191 174.387 176.600 -0.037 0.000 0.988 516 K CA -1.858 54.374 56.287 -0.093 0.000 0.915 516 K CB 0.399 32.850 32.500 -0.083 0.000 1.043 516 K HN -0.240 nan 8.250 nan 0.000 0.457 517 P HA -0.034 nan 4.420 nan 0.000 0.268 517 P C -0.525 176.789 177.300 0.024 0.000 1.208 517 P CA -0.124 62.999 63.100 0.037 0.000 0.777 517 P CB 0.375 32.094 31.700 0.033 0.000 0.875 518 L N 1.534 122.787 121.223 0.051 0.000 2.640 518 L HA -0.074 4.269 4.340 0.004 0.000 0.280 518 L C 1.120 177.962 176.870 -0.048 0.000 1.229 518 L CA 0.838 55.666 54.840 -0.020 0.000 0.919 518 L CB -0.315 41.725 42.059 -0.032 0.000 1.168 518 L HN 0.507 nan 8.230 nan 0.000 0.496 519 E N 3.505 123.650 120.200 -0.090 0.000 2.165 519 E HA 0.368 4.720 4.350 0.004 0.000 0.266 519 E C -1.258 175.250 176.600 -0.154 0.000 0.889 519 E CA -0.799 55.545 56.400 -0.094 0.000 0.756 519 E CB 1.762 31.415 29.700 -0.079 0.000 1.131 519 E HN 0.312 nan 8.360 nan 0.000 0.411 520 V N 5.349 125.183 119.914 -0.133 0.000 2.488 520 V HA 0.338 4.460 4.120 0.004 0.000 0.277 520 V C 0.425 176.381 176.094 -0.231 0.000 1.046 520 V CA -0.077 62.121 62.300 -0.170 0.000 0.986 520 V CB 0.757 32.536 31.823 -0.072 0.000 0.989 520 V HN 0.707 nan 8.190 nan 0.000 0.475 521 R N 3.894 124.125 120.500 -0.447 0.000 2.919 521 R HA 0.754 5.097 4.340 0.004 0.000 0.260 521 R C -0.710 175.349 176.300 -0.401 0.000 1.067 521 R CA -1.048 54.759 56.100 -0.489 0.000 1.003 521 R CB 2.179 32.041 30.300 -0.731 0.000 1.192 521 R HN 0.558 nan 8.270 nan 0.000 0.488 522 R N -0.099 120.342 120.500 -0.099 0.000 2.513 522 R HA 0.442 4.784 4.340 0.004 0.000 0.301 522 R C -1.008 175.466 176.300 0.290 0.000 0.968 522 R CA -0.379 55.785 56.100 0.107 0.000 0.872 522 R CB 2.231 32.561 30.300 0.050 0.000 1.177 522 R HN 0.907 nan 8.270 nan 0.000 0.444 523 G N 2.508 111.542 108.800 0.391 0.000 3.445 523 G HA2 -0.207 3.755 3.960 0.004 0.000 0.680 523 G HA3 -0.207 3.755 3.960 0.004 0.000 0.680 523 G C -1.166 173.927 174.900 0.322 0.000 0.972 523 G CA -0.913 44.375 45.100 0.314 0.000 0.798 523 G HN 0.372 nan 8.290 nan 0.000 0.461 524 L N 4.468 125.784 121.223 0.155 0.000 2.328 524 L HA 0.523 4.866 4.340 0.004 0.000 0.280 524 L C 1.553 178.445 176.870 0.037 0.000 1.111 524 L CA -0.510 54.274 54.840 -0.094 0.000 0.909 524 L CB -0.394 41.509 42.059 -0.259 0.000 1.277 524 L HN 0.699 nan 8.230 nan 0.000 0.433 525 R N 2.894 123.450 120.500 0.092 0.000 3.251 525 R HA -0.276 4.067 4.340 0.004 0.000 0.249 525 R C 1.330 177.725 176.300 0.159 0.000 0.949 525 R CA 0.705 56.889 56.100 0.140 0.000 0.645 525 R CB -2.224 28.169 30.300 0.154 0.000 1.065 525 R HN 0.747 nan 8.270 nan 0.000 0.452 526 A N 0.787 123.698 122.820 0.152 0.000 1.873 526 A HA -0.274 4.049 4.320 0.004 0.000 0.218 526 A C 2.098 179.775 177.584 0.154 0.000 1.193 526 A CA 1.457 53.583 52.037 0.149 0.000 0.629 526 A CB -0.131 18.951 19.000 0.135 0.000 0.826 526 A HN 0.436 nan 8.150 nan 0.000 0.447 527 Q N -0.811 119.077 119.800 0.147 0.000 2.046 527 Q HA -0.112 4.230 4.340 0.004 0.000 0.200 527 Q C 2.279 178.405 176.000 0.210 0.000 0.975 527 Q CA 2.088 57.982 55.803 0.152 0.000 0.836 527 Q CB -1.222 27.587 28.738 0.118 0.000 0.896 527 Q HN 0.667 nan 8.270 nan 0.000 0.428 528 T N 0.568 115.270 114.554 0.247 0.000 2.821 528 T HA -0.113 4.240 4.350 0.004 0.000 0.267 528 T C 1.989 176.933 174.700 0.408 0.000 1.046 528 T CA 1.146 63.443 62.100 0.328 0.000 1.139 528 T CB -0.240 68.843 68.868 0.357 0.000 0.871 528 T HN 0.318 nan 8.240 nan 0.000 0.454 529 c N 1.526 120.334 118.600 0.347 0.000 2.456 529 c HA 0.297 4.870 4.570 0.004 0.000 0.279 529 c C 3.071 177.328 174.090 0.279 0.000 1.427 529 c CA -0.125 56.416 56.329 0.352 0.000 1.778 529 c CB -1.423 41.226 42.510 0.231 0.000 1.842 529 c HN 0.633 nan 8.230 nan 0.000 0.531 530 A N 0.415 123.370 122.820 0.224 0.000 1.902 530 A HA -0.185 4.137 4.320 0.004 0.000 0.217 530 A C 1.859 179.551 177.584 0.181 0.000 1.181 530 A CA 1.579 53.722 52.037 0.177 0.000 0.623 530 A CB -0.798 18.291 19.000 0.148 0.000 0.818 530 A HN 0.536 nan 8.150 nan 0.000 0.443 531 F N -0.705 119.239 119.950 -0.010 0.000 2.069 531 F HA -0.217 4.312 4.527 0.003 0.000 0.298 531 F C 2.000 177.751 175.800 -0.081 0.000 1.113 531 F CA 2.016 59.922 58.000 -0.157 0.000 1.214 531 F CB -0.567 38.069 39.000 -0.608 0.000 0.978 531 F HN 0.381 nan 8.300 nan 0.000 0.474 532 W N 0.472 121.783 121.300 0.019 0.000 2.388 532 W HA -0.126 4.534 4.660 0.001 0.000 0.294 532 W C 2.094 178.569 176.519 -0.074 0.000 1.212 532 W CA 1.032 58.336 57.345 -0.069 0.000 1.271 532 W CB -0.486 29.058 29.460 0.140 0.000 1.126 532 W HN -0.010 nan 8.180 nan 0.000 0.535 533 N N -0.757 118.065 118.700 0.203 0.000 2.356 533 N HA 0.076 4.819 4.740 0.004 0.000 0.178 533 N C 1.409 176.954 175.510 0.058 0.000 1.075 533 N CA 0.696 53.817 53.050 0.118 0.000 0.889 533 N CB -0.002 38.556 38.487 0.118 0.000 0.999 533 N HN 0.235 nan 8.380 nan 0.000 0.464 534 R N -1.435 119.098 120.500 0.056 0.000 2.243 534 R HA 0.246 4.588 4.340 0.004 0.000 0.193 534 R C 1.276 177.596 176.300 0.034 0.000 0.933 534 R CA -0.039 56.092 56.100 0.051 0.000 1.105 534 R CB -0.054 30.299 30.300 0.088 0.000 1.169 534 R HN 0.019 nan 8.270 nan 0.000 0.599 535 F N 1.592 121.458 119.950 -0.141 0.000 2.188 535 F HA 0.124 4.654 4.527 0.004 0.000 0.289 535 F C 1.844 177.483 175.800 -0.267 0.000 1.082 535 F CA 0.987 58.876 58.000 -0.186 0.000 1.282 535 F CB -0.186 38.705 39.000 -0.182 0.000 1.060 535 F HN -0.166 nan 8.300 nan 0.000 0.493 536 L N 0.660 121.556 121.223 -0.544 0.000 2.043 536 L HA -0.201 4.141 4.340 0.004 0.000 0.212 536 L C -0.450 176.183 176.870 -0.395 0.000 1.075 536 L CA 1.801 56.294 54.840 -0.578 0.000 0.752 536 L CB -2.117 39.637 42.059 -0.508 0.000 0.891 536 L HN 0.161 nan 8.230 nan 0.000 0.432 537 P HA -0.188 nan 4.420 nan 0.000 0.215 537 P C 1.376 178.546 177.300 -0.216 0.000 1.153 537 P CA 1.444 64.438 63.100 -0.177 0.000 0.853 537 P CB 0.012 31.650 31.700 -0.104 0.000 0.788 538 K N -1.154 119.077 120.400 -0.283 0.000 2.148 538 K HA -0.109 4.213 4.320 0.004 0.000 0.204 538 K C 1.924 178.312 176.600 -0.354 0.000 1.050 538 K CA 0.787 56.909 56.287 -0.275 0.000 0.942 538 K CB -0.717 31.640 32.500 -0.240 0.000 0.724 538 K HN 0.041 nan 8.250 nan 0.000 0.446 539 L N 1.063 121.949 121.223 -0.563 0.000 2.056 539 L HA -0.118 4.224 4.340 0.004 0.000 0.207 539 L C 1.955 178.675 176.870 -0.249 0.000 1.078 539 L CA 1.306 55.868 54.840 -0.463 0.000 0.749 539 L CB -0.494 41.206 42.059 -0.598 0.000 0.901 539 L HN 0.100 nan 8.230 nan 0.000 0.433 540 L N -1.163 119.926 121.223 -0.222 0.000 1.994 540 L HA -0.170 4.173 4.340 0.004 0.000 0.208 540 L C 2.713 179.517 176.870 -0.110 0.000 1.071 540 L CA 2.214 56.973 54.840 -0.136 0.000 0.745 540 L CB -1.156 40.834 42.059 -0.115 0.000 0.892 540 L HN 0.422 nan 8.230 nan 0.000 0.431 541 S N -0.726 114.903 115.700 -0.118 0.000 2.370 541 S HA -0.194 4.278 4.470 0.004 0.000 0.226 541 S C 2.085 176.639 174.600 -0.076 0.000 1.033 541 S CA 1.407 59.555 58.200 -0.087 0.000 1.011 541 S CB -0.527 62.621 63.200 -0.086 0.000 0.852 541 S HN 0.651 nan 8.310 nan 0.000 0.457 542 A N -0.000 122.764 122.820 -0.092 0.000 2.016 542 A HA 0.236 4.558 4.320 0.004 0.000 0.217 542 A C 1.422 178.972 177.584 -0.057 0.000 1.162 542 A CA 1.209 53.205 52.037 -0.069 0.000 0.662 542 A CB -0.439 18.518 19.000 -0.073 0.000 0.812 542 A HN 0.556 nan 8.150 nan 0.000 0.450 543 T N 0.000 114.513 114.554 -0.068 0.000 3.816 543 T HA 0.000 4.352 4.350 0.004 0.000 0.228 543 T CA 0.000 62.069 62.100 -0.051 0.000 1.349 543 T CB 0.000 68.837 68.868 -0.051 0.000 0.612 543 T HN 0.000 nan 8.240 nan 0.000 0.658