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 2xuf_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 XGNDTELIAc LRTRPAQDLV DHEWHVLPQE SIFRFSFVPV DATA SEQUENCE VDGDFLSDTP EALINTGDFQ DLQVLVGVVK DEGSAFLVYG 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 NRFLPKLLS 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 0.000 176.311 176.300 0.018 0.000 0.893 3 R CA 0.000 56.109 56.100 0.015 0.000 0.921 3 R CB 0.000 30.309 30.300 0.015 0.000 0.687 4 E N 0.555 120.769 120.200 0.023 0.000 2.250 4 E HA 0.110 4.464 4.350 0.007 0.000 0.265 4 E C -0.636 175.987 176.600 0.038 0.000 1.033 4 E CA -0.776 55.641 56.400 0.028 0.000 0.888 4 E CB 0.903 30.622 29.700 0.032 0.000 1.151 4 E HN 0.299 nan 8.360 nan 0.000 0.412 5 D N 2.407 122.836 120.400 0.049 0.000 2.502 5 D HA -0.043 4.601 4.640 0.007 0.000 0.249 5 D C -1.466 174.875 176.300 0.069 0.000 1.188 5 D CA -1.329 52.716 54.000 0.075 0.000 0.890 5 D CB 0.783 41.652 40.800 0.115 0.000 1.140 5 D HN 0.133 nan 8.370 nan 0.000 0.505 6 P HA -0.149 nan 4.420 nan 0.000 0.228 6 P C 0.948 178.266 177.300 0.030 0.000 1.151 6 P CA 0.701 63.821 63.100 0.033 0.000 0.770 6 P CB 0.432 32.140 31.700 0.014 0.000 0.786 7 Q N -0.324 119.492 119.800 0.028 0.000 2.425 7 Q HA 0.107 4.451 4.340 0.007 0.000 0.204 7 Q C 1.565 177.640 176.000 0.126 0.000 0.933 7 Q CA 0.651 56.450 55.803 -0.007 0.000 0.939 7 Q CB -0.611 27.991 28.738 -0.225 0.000 1.044 7 Q HN 0.233 nan 8.270 nan 0.000 0.513 8 L N -0.132 121.184 121.223 0.156 0.000 2.808 8 L HA 0.330 4.674 4.340 0.007 0.000 0.246 8 L C -0.498 176.550 176.870 0.297 0.000 1.153 8 L CA -0.160 54.800 54.840 0.200 0.000 0.956 8 L CB 0.484 42.579 42.059 0.061 0.000 1.270 8 L HN 0.039 nan 8.230 nan 0.000 0.528 9 L N 0.703 122.057 121.223 0.218 0.000 2.280 9 L HA 0.565 4.909 4.340 0.007 0.000 0.287 9 L C -0.711 176.220 176.870 0.102 0.000 1.023 9 L CA -0.443 54.502 54.840 0.175 0.000 0.819 9 L CB 1.841 43.958 42.059 0.096 0.000 1.212 9 L HN -0.240 nan 8.230 nan 0.000 0.420 10 V N 3.380 123.333 119.914 0.065 0.000 2.841 10 V HA 0.486 4.610 4.120 0.007 0.000 0.310 10 V C -0.467 175.551 176.094 -0.127 0.000 1.090 10 V CA -0.713 61.477 62.300 -0.183 0.000 0.930 10 V CB 2.954 34.401 31.823 -0.627 0.000 1.014 10 V HN 0.737 nan 8.190 nan 0.000 0.425 11 R N 2.663 123.058 120.500 -0.175 0.000 2.460 11 R HA 0.818 5.163 4.340 0.007 0.000 0.303 11 R C -0.754 175.458 176.300 -0.146 0.000 0.968 11 R CA -0.292 55.745 56.100 -0.105 0.000 0.889 11 R CB 1.769 32.009 30.300 -0.100 0.000 1.123 11 R HN 0.687 nan 8.270 nan 0.000 0.455 12 V N 1.682 121.571 119.914 -0.042 0.000 3.182 12 V HA 0.513 4.637 4.120 0.007 0.000 0.311 12 V C 1.162 177.189 176.094 -0.112 0.000 1.221 12 V CA -0.942 61.331 62.300 -0.045 0.000 1.060 12 V CB 1.471 33.402 31.823 0.181 0.000 1.164 12 V HN 0.832 nan 8.190 nan 0.000 0.466 13 R N 0.777 121.206 120.500 -0.117 0.000 2.119 13 R HA 0.135 4.479 4.340 0.007 0.000 0.246 13 R C 1.284 177.463 176.300 -0.202 0.000 1.146 13 R CA 2.753 58.771 56.100 -0.137 0.000 0.962 13 R CB -0.995 29.247 30.300 -0.097 0.000 0.863 13 R HN 1.967 nan 8.270 nan 0.000 0.442 14 G N -2.916 105.683 108.800 -0.335 0.000 2.955 14 G HA2 0.175 4.139 3.960 0.007 0.000 0.230 14 G HA3 0.175 4.139 3.960 0.007 0.000 0.230 14 G C 0.507 174.546 174.900 -1.435 0.000 1.587 14 G CA -0.237 44.526 45.100 -0.563 0.000 1.216 14 G HN 1.221 nan 8.290 nan 0.000 0.527 15 G N -1.337 106.917 108.800 -0.910 0.000 2.339 15 G HA2 0.505 4.469 3.960 0.007 0.000 0.275 15 G HA3 0.505 4.469 3.960 0.007 0.000 0.275 15 G C -1.163 173.680 174.900 -0.093 0.000 1.323 15 G CA 0.320 44.949 45.100 -0.786 0.000 0.927 15 G HN 1.005 nan 8.290 nan 0.000 0.486 16 Q N -0.063 119.839 119.800 0.170 0.000 2.256 16 Q HA 0.635 4.979 4.340 0.007 0.000 0.254 16 Q C -0.409 175.865 176.000 0.455 0.000 0.916 16 Q CA -0.231 55.731 55.803 0.265 0.000 0.932 16 Q CB 1.736 30.575 28.738 0.169 0.000 1.207 16 Q HN 0.428 nan 8.270 nan 0.000 0.426 17 L N 2.193 123.625 121.223 0.349 0.000 2.334 17 L HA 0.591 4.935 4.340 0.007 0.000 0.276 17 L C -0.158 176.916 176.870 0.340 0.000 1.014 17 L CA -0.760 54.306 54.840 0.377 0.000 0.815 17 L CB 1.668 43.999 42.059 0.452 0.000 1.268 17 L HN 0.437 nan 8.230 nan 0.000 0.428 18 R N 1.367 122.027 120.500 0.268 0.000 2.343 18 R HA 0.615 4.959 4.340 0.007 0.000 0.320 18 R C -0.307 176.053 176.300 0.101 0.000 0.956 18 R CA -0.293 55.922 56.100 0.191 0.000 0.836 18 R CB 1.634 31.989 30.300 0.092 0.000 1.151 18 R HN 0.840 nan 8.270 nan 0.000 0.450 19 G N 3.334 112.091 108.800 -0.073 0.000 2.613 19 G HA2 0.485 4.449 3.960 0.007 0.000 0.303 19 G HA3 0.485 4.449 3.960 0.007 0.000 0.303 19 G C -1.049 173.606 174.900 -0.409 0.000 1.312 19 G CA -0.739 43.991 45.100 -0.617 0.000 1.036 19 G HN 0.587 nan 8.290 nan 0.000 0.513 20 I N -0.500 119.795 120.570 -0.458 0.000 2.545 20 I HA 0.474 4.648 4.170 0.007 0.000 0.292 20 I C -0.030 175.945 176.117 -0.236 0.000 1.040 20 I CA -1.110 60.025 61.300 -0.274 0.000 1.068 20 I CB 1.949 39.804 38.000 -0.242 0.000 1.251 20 I HN 0.412 nan 8.210 nan 0.000 0.424 21 R N 7.937 128.336 120.500 -0.168 0.000 2.288 21 R HA 0.423 4.768 4.340 0.007 0.000 0.330 21 R C -1.513 174.670 176.300 -0.195 0.000 1.069 21 R CA -0.249 55.728 56.100 -0.205 0.000 0.941 21 R CB 0.289 30.419 30.300 -0.284 0.000 0.998 21 R HN 0.629 nan 8.270 nan 0.000 0.452 22 L N 3.571 124.699 121.223 -0.158 0.000 2.352 22 L HA 0.433 4.778 4.340 0.007 0.000 0.269 22 L C 0.222 177.014 176.870 -0.130 0.000 1.034 22 L CA -0.809 53.961 54.840 -0.116 0.000 0.806 22 L CB 1.581 43.612 42.059 -0.047 0.000 1.244 22 L HN 0.471 nan 8.230 nan 0.000 0.447 23 K N 1.345 121.676 120.400 -0.114 0.000 2.227 23 K HA 0.651 4.975 4.320 0.007 0.000 0.280 23 K C -0.851 175.675 176.600 -0.123 0.000 1.041 23 K CA -0.301 55.920 56.287 -0.109 0.000 0.905 23 K CB 1.388 33.838 32.500 -0.084 0.000 1.068 23 K HN 0.704 nan 8.250 nan 0.000 0.470 24 A N 4.971 127.719 122.820 -0.120 0.000 2.350 24 A HA 0.509 4.833 4.320 0.007 0.000 0.318 24 A C -2.148 175.415 177.584 -0.036 0.000 1.132 24 A CA -1.691 50.258 52.037 -0.145 0.000 0.811 24 A CB 0.898 19.777 19.000 -0.201 0.000 1.313 24 A HN 0.577 nan 8.150 nan 0.000 0.454 25 P HA -0.143 nan 4.420 nan 0.000 0.216 25 P C 1.390 178.711 177.300 0.035 0.000 1.157 25 P CA 2.255 65.392 63.100 0.063 0.000 0.880 25 P CB 0.157 31.929 31.700 0.121 0.000 0.791 26 G N -2.290 106.533 108.800 0.038 0.000 2.920 26 G HA2 0.406 4.370 3.960 0.007 0.000 0.208 26 G HA3 0.406 4.370 3.960 0.007 0.000 0.208 26 G C 0.619 175.530 174.900 0.018 0.000 1.159 26 G CA 0.562 45.679 45.100 0.029 0.000 0.784 26 G HN 0.653 nan 8.290 nan 0.000 0.535 27 G N -0.594 108.208 108.800 0.002 0.000 2.350 27 G HA2 0.329 4.293 3.960 0.007 0.000 0.282 27 G HA3 0.329 4.293 3.960 0.007 0.000 0.282 27 G C -3.400 171.477 174.900 -0.038 0.000 1.314 27 G CA -0.550 44.545 45.100 -0.009 0.000 0.915 27 G HN 0.084 nan 8.290 nan 0.000 0.499 28 P HA 0.575 nan 4.420 nan 0.000 0.284 28 P C -0.120 177.163 177.300 -0.028 0.000 1.258 28 P CA -0.476 62.536 63.100 -0.148 0.000 0.824 28 P CB 1.702 33.160 31.700 -0.403 0.000 1.038 29 V N -1.211 118.689 119.914 -0.024 0.000 3.001 29 V HA 0.705 4.829 4.120 0.007 0.000 0.314 29 V C -0.355 175.825 176.094 0.142 0.000 1.099 29 V CA -0.882 61.495 62.300 0.129 0.000 0.989 29 V CB 1.771 33.682 31.823 0.147 0.000 1.040 29 V HN 0.434 nan 8.190 nan 0.000 0.434 30 S N 1.747 117.605 115.700 0.265 0.000 2.525 30 S HA 0.860 5.334 4.470 0.007 0.000 0.278 30 S C 0.025 174.648 174.600 0.038 0.000 1.234 30 S CA 0.002 58.305 58.200 0.171 0.000 1.058 30 S CB 1.278 64.681 63.200 0.338 0.000 0.983 30 S HN 1.590 nan 8.310 nan 0.000 0.495 31 A N 2.442 125.090 122.820 -0.287 0.000 2.356 31 A HA 0.801 5.125 4.320 0.007 0.000 0.310 31 A C -1.317 175.858 177.584 -0.682 0.000 1.075 31 A CA -0.654 51.102 52.037 -0.468 0.000 0.746 31 A CB 0.561 19.218 19.000 -0.572 0.000 1.221 31 A HN 0.668 nan 8.150 nan 0.000 0.443 32 F N 2.559 122.335 119.950 -0.289 0.000 2.430 32 F HA 0.488 5.019 4.527 0.007 0.000 0.362 32 F C -0.234 175.380 175.800 -0.311 0.000 1.103 32 F CA -0.306 57.596 58.000 -0.162 0.000 1.045 32 F CB 1.373 40.423 39.000 0.084 0.000 1.276 32 F HN 0.343 nan 8.300 nan 0.000 0.444 33 L N 2.276 123.343 121.223 -0.259 0.000 2.317 33 L HA 0.703 5.047 4.340 0.007 0.000 0.281 33 L C 0.826 177.587 176.870 -0.182 0.000 1.024 33 L CA -0.973 53.645 54.840 -0.369 0.000 0.810 33 L CB 1.780 43.404 42.059 -0.725 0.000 1.240 33 L HN 0.823 nan 8.230 nan 0.000 0.427 34 G N 3.302 112.061 108.800 -0.068 0.000 2.256 34 G HA2 -0.247 3.717 3.960 0.007 0.000 0.272 34 G HA3 -0.247 3.717 3.960 0.007 0.000 0.272 34 G C -0.188 174.757 174.900 0.074 0.000 1.076 34 G CA -0.381 44.709 45.100 -0.016 0.000 0.882 34 G HN 0.481 nan 8.290 nan 0.000 0.497 35 I N 2.133 122.749 120.570 0.077 0.000 2.396 35 I HA 0.241 4.415 4.170 0.007 0.000 0.289 35 I C -1.393 174.777 176.117 0.088 0.000 1.056 35 I CA -2.132 59.196 61.300 0.048 0.000 1.365 35 I CB 1.055 39.041 38.000 -0.025 0.000 1.407 35 I HN -0.008 nan 8.210 nan 0.000 0.509 36 P HA 0.050 nan 4.420 nan 0.000 0.276 36 P C -0.233 177.019 177.300 -0.080 0.000 1.230 36 P CA 0.012 62.993 63.100 -0.198 0.000 0.776 36 P CB 0.528 32.099 31.700 -0.215 0.000 0.888 37 F N 0.840 120.637 119.950 -0.255 0.000 2.728 37 F HA 0.712 5.244 4.527 0.007 0.000 0.314 37 F C 0.137 175.928 175.800 -0.015 0.000 1.094 37 F CA -0.639 57.285 58.000 -0.126 0.000 1.217 37 F CB 0.220 39.059 39.000 -0.268 0.000 1.056 37 F HN 0.310 nan 8.300 nan 0.000 0.577 38 A N 0.194 122.712 122.820 -0.503 0.000 2.566 38 A HA 0.595 4.920 4.320 0.007 0.000 0.292 38 A C -0.775 176.657 177.584 -0.253 0.000 1.112 38 A CA -0.784 51.068 52.037 -0.308 0.000 0.707 38 A CB 0.980 19.736 19.000 -0.407 0.000 1.302 38 A HN 0.068 nan 8.150 nan 0.000 0.409 39 E N 1.203 121.328 120.200 -0.125 0.000 2.414 39 E HA 0.216 4.570 4.350 0.007 0.000 0.263 39 E C -2.299 174.211 176.600 -0.150 0.000 1.000 39 E CA -1.329 55.012 56.400 -0.098 0.000 0.914 39 E CB -0.043 29.636 29.700 -0.035 0.000 0.948 39 E HN 0.224 nan 8.360 nan 0.000 0.444 40 P HA -0.018 nan 4.420 nan 0.000 0.258 40 P C -2.219 175.021 177.300 -0.100 0.000 1.172 40 P CA -0.636 62.385 63.100 -0.132 0.000 0.762 40 P CB -0.101 31.560 31.700 -0.066 0.000 0.764 41 P HA 0.013 nan 4.420 nan 0.000 0.226 41 P C -0.319 176.932 177.300 -0.082 0.000 1.783 41 P CA 0.121 63.169 63.100 -0.086 0.000 0.980 41 P CB -0.096 31.553 31.700 -0.085 0.000 1.967 42 V N -2.541 117.332 119.914 -0.069 0.000 3.019 42 V HA 0.923 5.047 4.120 0.007 0.000 0.317 42 V C 0.802 176.861 176.094 -0.058 0.000 1.094 42 V CA 0.108 62.368 62.300 -0.067 0.000 1.000 42 V CB 0.991 32.784 31.823 -0.050 0.000 1.060 42 V HN 0.563 nan 8.190 nan 0.000 0.443 43 G N 2.590 111.355 108.800 -0.059 0.000 2.536 43 G HA2 -0.305 3.659 3.960 0.007 0.000 0.280 43 G HA3 -0.305 3.659 3.960 0.007 0.000 0.280 43 G C 1.172 176.047 174.900 -0.041 0.000 1.152 43 G CA 1.334 46.410 45.100 -0.040 0.000 0.970 43 G HN 2.416 nan 8.290 nan 0.000 0.549 44 S N 0.242 115.930 115.700 -0.019 0.000 2.537 44 S HA 0.024 4.498 4.470 0.007 0.000 0.240 44 S C 1.907 176.502 174.600 -0.008 0.000 0.981 44 S CA 1.777 59.975 58.200 -0.003 0.000 0.948 44 S CB 0.014 63.218 63.200 0.007 0.000 0.759 44 S HN 0.702 nan 8.310 nan 0.000 0.531 45 R N 0.678 121.158 120.500 -0.034 0.000 2.362 45 R HA 0.271 4.615 4.340 0.007 0.000 0.227 45 R C 0.872 177.126 176.300 -0.076 0.000 0.905 45 R CA -0.359 55.720 56.100 -0.035 0.000 1.067 45 R CB 0.214 30.494 30.300 -0.033 0.000 1.078 45 R HN 0.368 nan 8.270 nan 0.000 0.516 46 R N 0.539 120.940 120.500 -0.164 0.000 2.623 46 R HA -0.107 4.237 4.340 0.007 0.000 0.271 46 R C -0.392 175.663 176.300 -0.409 0.000 1.043 46 R CA 0.651 56.516 56.100 -0.392 0.000 1.083 46 R CB 0.187 30.120 30.300 -0.611 0.000 0.974 46 R HN 0.126 nan 8.270 nan 0.000 0.436 47 F N -0.964 118.990 119.950 0.006 0.000 2.705 47 F HA -0.315 4.216 4.527 0.007 0.000 0.413 47 F C 0.185 175.974 175.800 -0.019 0.000 0.588 47 F CA 0.731 58.713 58.000 -0.029 0.000 1.187 47 F CB -1.691 37.281 39.000 -0.047 0.000 1.737 47 F HN 0.469 nan 8.300 nan 0.000 0.285 48 M N 1.595 121.259 119.600 0.107 0.000 2.342 48 M HA 0.387 4.871 4.480 0.007 0.000 0.332 48 M C -1.941 174.389 176.300 0.050 0.000 1.166 48 M CA -1.454 53.891 55.300 0.076 0.000 1.086 48 M CB 0.599 33.231 32.600 0.054 0.000 1.541 48 M HN -0.360 nan 8.290 nan 0.000 0.462 49 P HA 0.064 nan 4.420 nan 0.000 0.267 49 P C -2.442 174.888 177.300 0.050 0.000 1.201 49 P CA -0.523 62.614 63.100 0.061 0.000 0.775 49 P CB -0.557 31.189 31.700 0.076 0.000 0.854 50 P HA 0.184 nan 4.420 nan 0.000 0.275 50 P C -0.565 176.766 177.300 0.052 0.000 1.228 50 P CA 0.102 63.224 63.100 0.037 0.000 0.786 50 P CB 0.892 32.629 31.700 0.062 0.000 0.927 51 E N 2.521 122.737 120.200 0.027 0.000 2.179 51 E HA 0.364 4.719 4.350 0.007 0.000 0.275 51 E C -2.258 174.372 176.600 0.051 0.000 0.945 51 E CA -2.655 53.771 56.400 0.043 0.000 0.792 51 E CB 0.907 30.624 29.700 0.028 0.000 1.125 51 E HN 0.314 nan 8.360 nan 0.000 0.397 52 P HA -0.091 nan 4.420 nan 0.000 0.265 52 P C -0.959 176.404 177.300 0.106 0.000 1.187 52 P CA 0.029 63.205 63.100 0.127 0.000 0.766 52 P CB 0.367 32.147 31.700 0.133 0.000 0.820 53 K N 4.046 124.527 120.400 0.136 0.000 2.451 53 K HA 0.018 4.342 4.320 0.007 0.000 0.280 53 K C 0.126 176.834 176.600 0.180 0.000 1.020 53 K CA 0.427 56.800 56.287 0.142 0.000 1.008 53 K CB 0.134 32.754 32.500 0.201 0.000 0.917 53 K HN 0.275 nan 8.250 nan 0.000 0.478 54 R N 5.096 125.686 120.500 0.150 0.000 2.543 54 R HA 0.153 4.497 4.340 0.007 0.000 0.277 54 R C -1.983 174.425 176.300 0.181 0.000 1.074 54 R CA -1.629 54.550 56.100 0.131 0.000 1.076 54 R CB 0.079 30.437 30.300 0.097 0.000 0.993 54 R HN 0.591 nan 8.270 nan 0.000 0.459 55 P HA -0.063 nan 4.420 nan 0.000 0.267 55 P C -1.039 176.297 177.300 0.060 0.000 1.200 55 P CA 0.070 63.117 63.100 -0.087 0.000 0.772 55 P CB 0.319 31.917 31.700 -0.169 0.000 0.855 56 W N 0.971 122.308 121.300 0.062 0.000 2.671 56 W HA 0.700 5.364 4.660 0.007 0.000 0.360 56 W C -0.581 175.966 176.519 0.047 0.000 1.128 56 W CA -0.916 56.462 57.345 0.055 0.000 1.184 56 W CB 0.048 29.548 29.460 0.066 0.000 1.415 56 W HN 0.369 nan 8.180 nan 0.000 0.604 57 S N 1.117 116.980 115.700 0.272 0.000 2.593 57 S HA 0.850 5.324 4.470 0.007 0.000 0.297 57 S C 0.369 175.123 174.600 0.255 0.000 1.112 57 S CA -0.062 58.234 58.200 0.161 0.000 1.043 57 S CB 0.968 64.227 63.200 0.099 0.000 1.054 57 S HN 2.118 nan 8.310 nan 0.000 0.516 58 G N 0.145 109.049 108.800 0.174 0.000 2.698 58 G HA2 -0.141 3.823 3.960 0.007 0.000 0.233 58 G HA3 -0.141 3.823 3.960 0.007 0.000 0.233 58 G C -0.697 174.363 174.900 0.267 0.000 1.352 58 G CA -0.380 44.825 45.100 0.175 0.000 0.879 58 G HN 1.709 nan 8.290 nan 0.000 0.567 59 V N 0.880 120.916 119.914 0.203 0.000 2.333 59 V HA 0.509 4.633 4.120 0.007 0.000 0.274 59 V C 0.954 177.151 176.094 0.173 0.000 1.028 59 V CA -0.266 62.165 62.300 0.218 0.000 0.851 59 V CB 1.053 32.961 31.823 0.141 0.000 1.000 59 V HN 0.807 nan 8.190 nan 0.000 0.456 60 L N 4.339 125.679 121.223 0.194 0.000 2.455 60 L HA 0.248 4.592 4.340 0.007 0.000 0.272 60 L C 0.665 177.534 176.870 -0.002 0.000 1.174 60 L CA 0.213 55.011 54.840 -0.069 0.000 0.869 60 L CB 0.561 42.320 42.059 -0.500 0.000 1.130 60 L HN 0.683 nan 8.230 nan 0.000 0.474 61 D N 4.795 125.167 120.400 -0.047 0.000 2.339 61 D HA 0.169 4.814 4.640 0.007 0.000 0.256 61 D C -0.400 175.862 176.300 -0.063 0.000 1.214 61 D CA 0.075 54.052 54.000 -0.038 0.000 0.877 61 D CB 1.452 42.218 40.800 -0.057 0.000 1.111 61 D HN 0.660 nan 8.370 nan 0.000 0.478 62 A N 3.145 125.949 122.820 -0.026 0.000 3.113 62 A HA 0.216 4.540 4.320 0.007 0.000 0.307 62 A C 0.917 178.409 177.584 -0.154 0.000 1.025 62 A CA -0.440 51.572 52.037 -0.043 0.000 1.012 62 A CB -0.109 18.970 19.000 0.132 0.000 1.085 62 A HN 0.546 nan 8.150 nan 0.000 0.519 63 T N -3.206 111.238 114.554 -0.183 0.000 3.044 63 T HA 0.282 4.636 4.350 0.007 0.000 0.260 63 T C 0.615 175.150 174.700 -0.275 0.000 1.019 63 T CA 0.710 62.670 62.100 -0.234 0.000 0.921 63 T CB -0.191 68.574 68.868 -0.171 0.000 1.053 63 T HN 0.735 nan 8.240 nan 0.000 0.533 64 T N -0.478 113.910 114.554 -0.276 0.000 2.916 64 T HA 0.688 5.043 4.350 0.007 0.000 0.305 64 T C -0.755 173.776 174.700 -0.282 0.000 1.119 64 T CA -0.878 61.056 62.100 -0.276 0.000 1.008 64 T CB 1.042 69.816 68.868 -0.157 0.000 1.129 64 T HN -0.008 nan 8.240 nan 0.000 0.480 65 F N 2.072 121.950 119.950 -0.121 0.000 2.595 65 F HA 0.288 4.819 4.527 0.007 0.000 0.359 65 F C 1.497 177.195 175.800 -0.170 0.000 1.147 65 F CA 0.027 57.956 58.000 -0.117 0.000 1.341 65 F CB 0.443 39.401 39.000 -0.069 0.000 1.104 65 F HN 0.505 nan 8.300 nan 0.000 0.603 66 Q N 1.225 121.038 119.800 0.023 0.000 2.199 66 Q HA 0.236 4.580 4.340 0.007 0.000 0.205 66 Q C -0.203 175.715 176.000 -0.138 0.000 1.001 66 Q CA -0.869 54.792 55.803 -0.236 0.000 1.019 66 Q CB 0.645 28.968 28.738 -0.692 0.000 1.132 66 Q HN 0.521 nan 8.270 nan 0.000 0.530 67 N N -0.119 118.462 118.700 -0.199 0.000 2.374 67 N HA 0.003 4.748 4.740 0.007 0.000 0.241 67 N C -0.515 174.968 175.510 -0.045 0.000 1.262 67 N CA 0.198 53.188 53.050 -0.100 0.000 0.880 67 N CB 0.358 38.802 38.487 -0.072 0.000 1.105 67 N HN 0.171 nan 8.380 nan 0.000 0.438 68 V N 1.400 121.260 119.914 -0.089 0.000 2.567 68 V HA 0.137 4.262 4.120 0.007 0.000 0.289 68 V C 0.601 176.631 176.094 -0.108 0.000 1.049 68 V CA -0.867 61.368 62.300 -0.109 0.000 0.969 68 V CB 1.291 33.010 31.823 -0.172 0.000 0.995 68 V HN 0.702 nan 8.190 nan 0.000 0.471 69 c N 3.708 122.261 118.600 -0.078 0.000 2.662 69 c HA 0.169 4.743 4.570 0.007 0.000 0.420 69 c C 0.487 174.501 174.090 -0.127 0.000 1.314 69 c CA -0.640 55.645 56.329 -0.074 0.000 1.963 69 c CB -0.959 41.542 42.510 -0.016 0.000 2.686 69 c HN 0.749 nan 8.230 nan 0.000 0.609 70 Y N 3.551 123.667 120.300 -0.306 0.000 2.810 70 Y HA 0.188 4.743 4.550 0.007 0.000 0.332 70 Y C 0.860 176.697 175.900 -0.106 0.000 1.243 70 Y CA 1.204 59.102 58.100 -0.337 0.000 1.537 70 Y CB 0.180 38.190 38.460 -0.750 0.000 1.265 70 Y HN 0.760 nan 8.280 nan 0.000 0.572 71 Q N 3.640 123.484 119.800 0.073 0.000 2.702 71 Q HA 0.188 4.532 4.340 0.007 0.000 0.289 71 Q C -1.861 174.286 176.000 0.245 0.000 0.923 71 Q CA -1.194 54.760 55.803 0.252 0.000 0.787 71 Q CB 1.027 29.849 28.738 0.140 0.000 1.476 71 Q HN 0.659 nan 8.270 nan 0.000 0.402 72 Y N 1.251 121.697 120.300 0.244 0.000 2.620 72 Y HA 0.318 4.872 4.550 0.007 0.000 0.330 72 Y C -0.858 175.106 175.900 0.106 0.000 1.186 72 Y CA 0.211 58.416 58.100 0.174 0.000 1.467 72 Y CB 0.818 39.387 38.460 0.181 0.000 1.262 72 Y HN 0.433 nan 8.280 nan 0.000 0.550 73 V N 7.035 126.588 119.914 -0.603 0.000 2.427 73 V HA 0.089 4.213 4.120 0.007 0.000 0.286 73 V C -0.117 175.513 176.094 -0.773 0.000 1.034 73 V CA -0.990 61.011 62.300 -0.498 0.000 0.893 73 V CB 1.460 33.105 31.823 -0.297 0.000 0.982 73 V HN 0.759 nan 8.190 nan 0.000 0.452 74 D N 3.208 123.394 120.400 -0.357 0.000 2.312 74 D HA 0.158 4.802 4.640 0.007 0.000 0.252 74 D C 0.767 177.031 176.300 -0.060 0.000 1.150 74 D CA 0.127 54.041 54.000 -0.144 0.000 0.870 74 D CB 1.926 42.815 40.800 0.147 0.000 1.153 74 D HN 0.729 nan 8.370 nan 0.000 0.457 75 T N 1.373 115.916 114.554 -0.018 0.000 2.959 75 T HA -0.035 4.319 4.350 0.007 0.000 0.254 75 T C 1.935 176.635 174.700 0.000 0.000 1.003 75 T CA -0.350 61.746 62.100 -0.007 0.000 0.950 75 T CB 0.138 68.988 68.868 -0.029 0.000 1.090 75 T HN 0.257 nan 8.240 nan 0.000 0.503 76 L N 0.929 122.148 121.223 -0.007 0.000 2.064 76 L HA -0.080 4.264 4.340 0.007 0.000 0.216 76 L C -0.228 176.354 176.870 -0.481 0.000 1.077 76 L CA 1.731 56.404 54.840 -0.279 0.000 0.766 76 L CB -0.540 41.271 42.059 -0.413 0.000 0.890 76 L HN 0.418 nan 8.230 nan 0.000 0.435 77 Y N -0.192 120.152 120.300 0.073 0.000 2.662 77 Y HA 0.383 4.937 4.550 0.007 0.000 0.358 77 Y C -2.175 173.768 175.900 0.072 0.000 1.041 77 Y CA -3.401 54.709 58.100 0.016 0.000 1.184 77 Y CB -0.121 38.286 38.460 -0.089 0.000 1.114 77 Y HN 0.053 nan 8.280 nan 0.000 0.650 78 P HA 0.073 nan 4.420 nan 0.000 0.260 78 P C 1.027 178.382 177.300 0.091 0.000 1.185 78 P CA 1.520 64.673 63.100 0.089 0.000 0.763 78 P CB 0.982 32.706 31.700 0.041 0.000 0.776 79 G N 2.804 111.644 108.800 0.066 0.000 2.176 79 G HA2 -0.286 3.679 3.960 0.007 0.000 0.253 79 G HA3 -0.286 3.679 3.960 0.007 0.000 0.253 79 G C -0.213 174.718 174.900 0.051 0.000 0.979 79 G CA -0.270 44.849 45.100 0.032 0.000 0.641 79 G HN 0.550 nan 8.290 nan 0.000 0.530 80 F N 2.289 122.188 119.950 -0.085 0.000 2.421 80 F HA 0.594 5.125 4.527 0.007 0.000 0.358 80 F C 1.369 177.056 175.800 -0.188 0.000 1.115 80 F CA -0.524 57.378 58.000 -0.164 0.000 1.160 80 F CB 1.241 40.126 39.000 -0.191 0.000 1.123 80 F HN 0.214 nan 8.300 nan 0.000 0.508 81 E N 4.098 123.884 120.200 -0.692 0.000 2.130 81 E HA -0.135 4.219 4.350 0.007 0.000 0.196 81 E C 2.205 178.271 176.600 -0.890 0.000 0.998 81 E CA 1.883 57.882 56.400 -0.668 0.000 0.806 81 E CB -0.443 28.947 29.700 -0.517 0.000 0.738 81 E HN 0.931 nan 8.360 nan 0.000 0.459 82 G N -0.644 107.063 108.800 -1.822 0.000 2.475 82 G HA2 -0.352 3.612 3.960 0.007 0.000 0.220 82 G HA3 -0.352 3.612 3.960 0.007 0.000 0.220 82 G C 1.702 176.493 174.900 -0.182 0.000 1.125 82 G CA 1.774 46.045 45.100 -1.383 0.000 0.755 82 G HN 0.511 nan 8.290 nan 0.000 0.565 83 T N -2.262 112.219 114.554 -0.122 0.000 3.042 83 T HA 0.149 4.503 4.350 0.007 0.000 0.245 83 T C 1.909 176.677 174.700 0.115 0.000 1.029 83 T CA 0.747 63.055 62.100 0.347 0.000 1.120 83 T CB 0.040 69.222 68.868 0.523 0.000 0.917 83 T HN 0.158 nan 8.240 nan 0.000 0.467 84 E N 2.398 122.551 120.200 -0.078 0.000 2.204 84 E HA -0.090 4.264 4.350 0.007 0.000 0.195 84 E C 2.229 178.687 176.600 -0.236 0.000 0.990 84 E CA 1.282 57.608 56.400 -0.124 0.000 0.821 84 E CB -0.506 29.107 29.700 -0.145 0.000 0.750 84 E HN 0.782 nan 8.360 nan 0.000 0.477 85 M N -2.177 117.177 119.600 -0.410 0.000 2.539 85 M HA -0.067 4.417 4.480 0.007 0.000 0.261 85 M C 1.151 177.018 176.300 -0.721 0.000 1.069 85 M CA 1.394 56.310 55.300 -0.640 0.000 1.081 85 M CB -0.461 31.625 32.600 -0.857 0.000 1.412 85 M HN 0.016 nan 8.290 nan 0.000 0.482 86 W N 0.678 121.881 121.300 -0.162 0.000 3.107 86 W HA 0.296 4.960 4.660 0.007 0.000 0.293 86 W C 0.412 176.823 176.519 -0.180 0.000 1.239 86 W CA -1.051 56.186 57.345 -0.179 0.000 1.653 86 W CB -0.048 29.344 29.460 -0.113 0.000 1.068 86 W HN 0.096 nan 8.180 nan 0.000 0.615 87 N N 1.652 120.351 118.700 -0.002 0.000 2.444 87 N HA 0.124 4.868 4.740 0.007 0.000 0.255 87 N C -2.413 173.015 175.510 -0.135 0.000 1.255 87 N CA -1.344 51.668 53.050 -0.064 0.000 0.933 87 N CB -0.155 38.286 38.487 -0.075 0.000 1.143 87 N HN -0.328 nan 8.380 nan 0.000 0.453 88 P HA 0.080 nan 4.420 nan 0.000 0.268 88 P C 0.196 177.390 177.300 -0.176 0.000 1.204 88 P CA -0.018 62.972 63.100 -0.184 0.000 0.768 88 P CB 0.327 31.912 31.700 -0.193 0.000 0.842 89 N N 2.247 120.834 118.700 -0.189 0.000 2.204 89 N HA 0.082 4.826 4.740 0.007 0.000 0.219 89 N C 0.159 175.588 175.510 -0.135 0.000 1.151 89 N CA 0.020 52.970 53.050 -0.167 0.000 0.867 89 N CB 0.383 38.755 38.487 -0.193 0.000 1.043 89 N HN 0.158 nan 8.380 nan 0.000 0.516 90 R N 0.160 120.577 120.500 -0.138 0.000 2.869 90 R HA 0.277 4.621 4.340 0.007 0.000 0.263 90 R C -0.602 175.621 176.300 -0.129 0.000 1.066 90 R CA -0.688 55.346 56.100 -0.111 0.000 0.960 90 R CB 0.962 31.208 30.300 -0.090 0.000 1.221 90 R HN 0.250 nan 8.270 nan 0.000 0.474 91 E N 1.447 121.577 120.200 -0.116 0.000 2.452 91 E HA -0.020 4.335 4.350 0.007 0.000 0.261 91 E C -0.467 176.036 176.600 -0.163 0.000 0.987 91 E CA 0.064 56.388 56.400 -0.127 0.000 0.926 91 E CB 0.519 30.162 29.700 -0.097 0.000 0.934 91 E HN 0.262 nan 8.360 nan 0.000 0.452 92 L N 3.579 124.661 121.223 -0.237 0.000 2.360 92 L HA 0.184 4.529 4.340 0.007 0.000 0.276 92 L C 0.339 177.080 176.870 -0.215 0.000 1.121 92 L CA 0.103 54.723 54.840 -0.367 0.000 0.845 92 L CB 1.074 42.670 42.059 -0.772 0.000 1.143 92 L HN 0.387 nan 8.230 nan 0.000 0.452 93 S N 1.272 116.914 115.700 -0.097 0.000 2.550 93 S HA 0.232 4.706 4.470 0.007 0.000 0.270 93 S C 0.367 174.981 174.600 0.023 0.000 1.145 93 S CA -0.657 57.571 58.200 0.046 0.000 0.852 93 S CB 1.728 64.933 63.200 0.009 0.000 1.119 93 S HN 0.737 nan 8.310 nan 0.000 0.465 94 E N 0.845 121.041 120.200 -0.005 0.000 2.347 94 E HA -0.064 4.290 4.350 0.007 0.000 0.196 94 E C -0.361 176.203 176.600 -0.061 0.000 1.008 94 E CA 0.479 56.807 56.400 -0.120 0.000 0.852 94 E CB 0.142 29.742 29.700 -0.166 0.000 0.783 94 E HN 0.497 nan 8.360 nan 0.000 0.505 95 D N 0.219 120.616 120.400 -0.006 0.000 2.483 95 D HA 0.002 4.646 4.640 0.007 0.000 0.220 95 D C 0.015 176.417 176.300 0.169 0.000 1.173 95 D CA -0.275 53.751 54.000 0.043 0.000 0.964 95 D CB 0.034 40.874 40.800 0.067 0.000 1.046 95 D HN 0.132 nan 8.370 nan 0.000 0.517 96 c N 2.372 121.038 118.600 0.110 0.000 3.865 96 c HA 0.360 4.934 4.570 0.007 0.000 0.297 96 c C 0.683 174.858 174.090 0.141 0.000 1.758 96 c CA -0.644 55.814 56.329 0.216 0.000 1.778 96 c CB -1.199 41.358 42.510 0.077 0.000 3.158 96 c HN 0.435 nan 8.230 nan 0.000 0.598 97 L N 2.517 123.551 121.223 -0.315 0.000 2.384 97 L HA 0.381 4.725 4.340 0.007 0.000 0.258 97 L C -0.921 175.344 176.870 -1.008 0.000 1.266 97 L CA 0.566 55.004 54.840 -0.670 0.000 1.162 97 L CB -0.764 40.766 42.059 -0.883 0.000 1.375 97 L HN 0.399 nan 8.230 nan 0.000 0.420 98 Y N 1.736 122.034 120.300 -0.003 0.000 2.536 98 Y HA 0.649 5.203 4.550 0.007 0.000 0.347 98 Y C -0.036 176.077 175.900 0.354 0.000 1.000 98 Y CA -1.228 56.950 58.100 0.129 0.000 1.051 98 Y CB 2.012 40.489 38.460 0.029 0.000 1.259 98 Y HN 0.190 nan 8.280 nan 0.000 0.468 99 L N -0.248 121.165 121.223 0.317 0.000 2.303 99 L HA 0.775 5.119 4.340 0.007 0.000 0.256 99 L C -1.300 175.572 176.870 0.004 0.000 1.034 99 L CA -1.201 53.693 54.840 0.088 0.000 0.832 99 L CB 1.727 43.635 42.059 -0.252 0.000 1.403 99 L HN 0.481 nan 8.230 nan 0.000 0.419 100 N N -0.021 118.685 118.700 0.010 0.000 2.240 100 N HA 0.739 5.483 4.740 0.007 0.000 0.302 100 N C -1.529 173.902 175.510 -0.132 0.000 1.106 100 N CA -0.429 52.558 53.050 -0.106 0.000 0.778 100 N CB 2.892 41.346 38.487 -0.056 0.000 1.431 100 N HN 0.502 nan 8.380 nan 0.000 0.479 101 V N 1.318 121.078 119.914 -0.257 0.000 2.638 101 V HA 0.468 4.592 4.120 0.007 0.000 0.306 101 V C -0.889 175.149 176.094 -0.094 0.000 1.052 101 V CA -0.766 61.466 62.300 -0.113 0.000 0.885 101 V CB 2.366 33.984 31.823 -0.342 0.000 0.999 101 V HN 0.560 nan 8.190 nan 0.000 0.424 102 W N 2.961 124.351 121.300 0.150 0.000 2.587 102 W HA 0.676 5.341 4.660 0.008 0.000 0.324 102 W C 0.134 176.759 176.519 0.177 0.000 1.040 102 W CA -0.403 57.038 57.345 0.160 0.000 1.222 102 W CB 2.455 31.993 29.460 0.130 0.000 1.381 102 W HN 0.671 nan 8.180 nan 0.000 0.483 103 T N 0.539 115.347 114.554 0.423 0.000 2.883 103 T HA 0.563 4.917 4.350 0.007 0.000 0.296 103 T C -2.839 172.038 174.700 0.295 0.000 1.117 103 T CA -2.453 59.851 62.100 0.340 0.000 1.006 103 T CB 2.432 71.521 68.868 0.369 0.000 1.191 103 T HN -0.095 nan 8.240 nan 0.000 0.508 104 P HA 0.226 nan 4.420 nan 0.000 0.270 104 P C -1.615 175.834 177.300 0.248 0.000 1.223 104 P CA -0.144 63.078 63.100 0.203 0.000 0.785 104 P CB 0.090 31.878 31.700 0.146 0.000 0.923 105 Y N 2.704 123.060 120.300 0.094 0.000 2.338 105 Y HA 0.440 4.994 4.550 0.007 0.000 0.333 105 Y C -2.271 173.665 175.900 0.059 0.000 0.968 105 Y CA -2.583 55.566 58.100 0.081 0.000 1.123 105 Y CB 1.293 39.789 38.460 0.061 0.000 1.165 105 Y HN 0.331 nan 8.280 nan 0.000 0.452 106 P HA 0.188 nan 4.420 nan 0.000 0.272 106 P C -0.915 176.343 177.300 -0.070 0.000 1.240 106 P CA -0.285 62.606 63.100 -0.348 0.000 0.791 106 P CB 1.019 32.549 31.700 -0.284 0.000 0.978 107 R N 1.463 121.941 120.500 -0.036 0.000 2.638 107 R HA 0.101 4.445 4.340 0.007 0.000 0.268 107 R C -1.601 174.723 176.300 0.040 0.000 1.006 107 R CA -0.894 55.242 56.100 0.061 0.000 1.088 107 R CB -0.793 29.559 30.300 0.085 0.000 0.950 107 R HN 0.475 nan 8.270 nan 0.000 0.419 108 P HA -0.069 nan 4.420 nan 0.000 0.265 108 P C -0.165 177.154 177.300 0.032 0.000 1.193 108 P CA 0.238 63.369 63.100 0.051 0.000 0.765 108 P CB 0.889 32.629 31.700 0.067 0.000 0.823 109 A N 3.495 126.327 122.820 0.020 0.000 1.898 109 A HA -0.037 4.287 4.320 0.007 0.000 0.216 109 A C 1.182 178.773 177.584 0.012 0.000 1.181 109 A CA 1.549 53.592 52.037 0.010 0.000 0.620 109 A CB -0.880 18.124 19.000 0.006 0.000 0.819 109 A HN 0.706 nan 8.150 nan 0.000 0.442 110 S N -0.453 115.258 115.700 0.018 0.000 2.549 110 S HA 0.620 5.094 4.470 0.007 0.000 0.297 110 S C -3.055 171.561 174.600 0.027 0.000 1.115 110 S CA -1.819 56.392 58.200 0.018 0.000 1.059 110 S CB 1.158 64.367 63.200 0.015 0.000 1.046 110 S HN 0.057 nan 8.310 nan 0.000 0.506 111 P HA 0.219 nan 4.420 nan 0.000 0.265 111 P C -0.629 176.696 177.300 0.041 0.000 1.193 111 P CA 0.136 63.258 63.100 0.035 0.000 0.765 111 P CB 0.247 31.963 31.700 0.027 0.000 0.823 112 T N 4.591 119.179 114.554 0.056 0.000 2.855 112 T HA 0.421 4.775 4.350 0.007 0.000 0.281 112 T C -2.481 172.257 174.700 0.062 0.000 1.007 112 T CA -1.839 60.296 62.100 0.058 0.000 1.009 112 T CB 1.028 69.942 68.868 0.075 0.000 0.983 112 T HN 0.149 nan 8.240 nan 0.000 0.455 113 P HA 0.124 nan 4.420 nan 0.000 0.264 113 P C -0.959 176.380 177.300 0.066 0.000 1.183 113 P CA -0.094 63.031 63.100 0.042 0.000 0.763 113 P CB 0.383 32.089 31.700 0.010 0.000 0.807 114 V N 5.247 125.210 119.914 0.083 0.000 2.459 114 V HA 0.369 4.494 4.120 0.007 0.000 0.295 114 V C 0.210 176.378 176.094 0.124 0.000 1.029 114 V CA -0.498 61.873 62.300 0.118 0.000 0.874 114 V CB 1.476 33.379 31.823 0.133 0.000 0.985 114 V HN 0.354 nan 8.190 nan 0.000 0.438 115 L N 5.691 127.008 121.223 0.155 0.000 2.325 115 L HA 0.604 4.949 4.340 0.007 0.000 0.281 115 L C -0.760 176.343 176.870 0.388 0.000 1.004 115 L CA -0.272 54.681 54.840 0.188 0.000 0.823 115 L CB 1.733 43.801 42.059 0.014 0.000 1.236 115 L HN 0.514 nan 8.230 nan 0.000 0.415 116 I N 3.207 124.043 120.570 0.442 0.000 2.355 116 I HA 0.208 4.382 4.170 0.007 0.000 0.288 116 I C -0.599 175.814 176.117 0.493 0.000 0.999 116 I CA -0.408 61.135 61.300 0.406 0.000 1.163 116 I CB 1.251 39.372 38.000 0.201 0.000 1.316 116 I HN 0.621 nan 8.210 nan 0.000 0.454 117 W N 8.460 129.885 121.300 0.208 0.000 2.315 117 W HA 0.556 5.220 4.660 0.006 0.000 0.316 117 W C -1.434 175.005 176.519 -0.134 0.000 1.211 117 W CA -0.603 56.647 57.345 -0.158 0.000 1.201 117 W CB 1.143 30.537 29.460 -0.110 0.000 1.184 117 W HN 0.347 nan 8.180 nan 0.000 0.544 118 I N 8.928 128.883 120.570 -1.025 0.000 2.411 118 I HA 0.073 4.247 4.170 0.007 0.000 0.284 118 I C -0.275 175.029 176.117 -1.354 0.000 1.012 118 I CA -1.128 59.618 61.300 -0.924 0.000 1.119 118 I CB 0.694 38.321 38.000 -0.621 0.000 1.261 118 I HN 0.311 nan 8.210 nan 0.000 0.448 119 Y N 4.513 124.307 120.300 -0.843 0.000 2.426 119 Y HA 0.625 5.179 4.550 0.007 0.000 0.344 119 Y C 0.815 176.507 175.900 -0.347 0.000 1.256 119 Y CA -0.667 57.049 58.100 -0.641 0.000 1.451 119 Y CB -0.060 38.248 38.460 -0.254 0.000 1.342 119 Y HN 0.535 nan 8.280 nan 0.000 0.600 120 G N -0.764 108.013 108.800 -0.037 0.000 2.606 120 G HA2 0.480 4.445 3.960 0.007 0.000 0.262 120 G HA3 0.480 4.445 3.960 0.007 0.000 0.262 120 G C 0.340 175.164 174.900 -0.126 0.000 1.394 120 G CA -0.914 44.105 45.100 -0.135 0.000 1.044 120 G HN 1.763 nan 8.290 nan 0.000 0.553 121 G N -2.755 105.816 108.800 -0.381 0.000 2.188 121 G HA2 0.382 4.346 3.960 0.007 0.000 0.112 121 G HA3 0.382 4.346 3.960 0.007 0.000 0.112 121 G C 1.092 175.465 174.900 -0.879 0.000 1.048 121 G CA 0.675 45.418 45.100 -0.595 0.000 0.720 121 G HN 2.349 nan 8.290 nan 0.000 0.487 122 G N -0.526 107.749 108.800 -0.875 0.000 2.233 122 G HA2 -0.109 3.855 3.960 0.007 0.000 0.270 122 G HA3 -0.109 3.855 3.960 0.007 0.000 0.270 122 G C 0.908 175.541 174.900 -0.446 0.000 1.011 122 G CA 0.837 45.167 45.100 -1.284 0.000 0.762 122 G HN 1.840 nan 8.290 nan 0.000 0.511 123 F N -3.462 116.371 119.950 -0.194 0.000 2.914 123 F HA -0.320 4.211 4.527 0.007 0.000 0.304 123 F C 1.444 177.390 175.800 0.243 0.000 0.712 123 F CA 2.136 60.156 58.000 0.033 0.000 1.211 123 F CB -2.123 36.734 39.000 -0.239 0.000 1.515 123 F HN 0.898 nan 8.300 nan 0.000 0.350 124 Y N -1.238 119.208 120.300 0.244 0.000 2.453 124 Y HA 0.642 5.196 4.550 0.007 0.000 0.247 124 Y C 0.631 176.667 175.900 0.226 0.000 1.124 124 Y CA 0.269 58.560 58.100 0.318 0.000 1.243 124 Y CB 0.016 38.682 38.460 0.345 0.000 1.213 124 Y HN 0.081 nan 8.280 nan 0.000 0.523 125 S N -0.701 114.685 115.700 -0.522 0.000 2.752 125 S HA 0.893 5.367 4.470 0.007 0.000 0.284 125 S C -0.133 174.278 174.600 -0.315 0.000 1.189 125 S CA -0.528 57.438 58.200 -0.391 0.000 0.835 125 S CB 1.491 64.352 63.200 -0.565 0.000 1.192 125 S HN 1.360 nan 8.310 nan 0.000 0.506 126 G N -0.759 107.822 108.800 -0.366 0.000 2.459 126 G HA2 0.537 4.502 3.960 0.007 0.000 0.685 126 G HA3 0.537 4.502 3.960 0.007 0.000 0.685 126 G C -0.680 173.524 174.900 -1.160 0.000 1.303 126 G CA -0.232 44.464 45.100 -0.673 0.000 0.907 126 G HN 2.191 nan 8.290 nan 0.000 0.632 127 A N -0.865 121.124 122.820 -1.384 0.000 2.577 127 A HA 0.992 5.316 4.320 0.007 0.000 0.297 127 A C 0.601 177.974 177.584 -0.353 0.000 1.060 127 A CA 0.643 52.183 52.037 -0.829 0.000 0.697 127 A CB 0.976 19.736 19.000 -0.399 0.000 1.281 127 A HN 2.586 nan 8.150 nan 0.000 0.402 128 A N 0.660 123.508 122.820 0.045 0.000 2.167 128 A HA 0.213 4.538 4.320 0.007 0.000 0.214 128 A C 1.710 179.317 177.584 0.038 0.000 1.151 128 A CA 1.862 54.095 52.037 0.327 0.000 0.735 128 A CB -0.517 18.746 19.000 0.438 0.000 0.802 128 A HN 1.794 nan 8.150 nan 0.000 0.467 129 S N -0.491 114.992 115.700 -0.361 0.000 2.575 129 S HA 0.334 4.808 4.470 0.007 0.000 0.215 129 S C 0.479 174.636 174.600 -0.739 0.000 0.966 129 S CA -0.468 57.050 58.200 -1.137 0.000 0.911 129 S CB -0.561 61.995 63.200 -1.073 0.000 0.780 129 S HN 0.386 nan 8.310 nan 0.000 0.514 130 L N 2.000 122.963 121.223 -0.434 0.000 2.467 130 L HA 0.194 4.538 4.340 0.007 0.000 0.270 130 L C 1.225 177.775 176.870 -0.534 0.000 1.205 130 L CA -0.502 54.035 54.840 -0.506 0.000 0.828 130 L CB 0.187 41.863 42.059 -0.637 0.000 1.101 130 L HN 0.039 nan 8.230 nan 0.000 0.479 131 D N 0.957 121.074 120.400 -0.472 0.000 2.123 131 D HA -0.151 4.493 4.640 0.007 0.000 0.196 131 D C 1.978 177.999 176.300 -0.465 0.000 0.992 131 D CA 1.384 55.164 54.000 -0.366 0.000 0.833 131 D CB -0.037 40.582 40.800 -0.301 0.000 0.954 131 D HN 0.519 nan 8.370 nan 0.000 0.455 132 V N -1.349 118.143 119.914 -0.704 0.000 3.078 132 V HA -0.152 3.973 4.120 0.007 0.000 0.265 132 V C 1.059 176.546 176.094 -1.013 0.000 1.122 132 V CA 1.036 62.886 62.300 -0.750 0.000 1.141 132 V CB -1.189 30.181 31.823 -0.755 0.000 0.735 132 V HN 0.092 nan 8.190 nan 0.000 0.498 133 Y N 0.180 119.932 120.300 -0.913 0.000 2.524 133 Y HA 0.436 4.990 4.550 0.007 0.000 0.266 133 Y C 0.892 176.217 175.900 -0.959 0.000 1.180 133 Y CA -1.891 55.309 58.100 -1.501 0.000 1.244 133 Y CB -0.842 37.113 38.460 -0.841 0.000 1.125 133 Y HN 0.239 nan 8.280 nan 0.000 0.524 134 D N 0.959 121.066 120.400 -0.488 0.000 2.389 134 D HA 0.012 4.657 4.640 0.007 0.000 0.263 134 D C 1.474 177.435 176.300 -0.565 0.000 1.255 134 D CA 0.514 54.299 54.000 -0.359 0.000 0.914 134 D CB 1.186 41.928 40.800 -0.096 0.000 1.116 134 D HN 0.472 nan 8.370 nan 0.000 0.502 135 G N 4.182 111.983 108.800 -1.664 0.000 2.679 135 G HA2 -0.224 3.740 3.960 0.007 0.000 0.212 135 G HA3 -0.224 3.740 3.960 0.007 0.000 0.212 135 G C 1.516 175.827 174.900 -0.981 0.000 1.137 135 G CA 0.521 44.817 45.100 -1.339 0.000 0.787 135 G HN 0.643 nan 8.290 nan 0.000 0.534 136 R N -0.613 119.266 120.500 -1.034 0.000 2.096 136 R HA -0.030 4.314 4.340 0.007 0.000 0.235 136 R C 1.817 177.841 176.300 -0.459 0.000 1.127 136 R CA 1.409 57.147 56.100 -0.603 0.000 0.968 136 R CB -0.707 29.264 30.300 -0.549 0.000 0.861 136 R HN 0.332 nan 8.270 nan 0.000 0.440 137 F N 1.484 121.339 119.950 -0.158 0.000 2.128 137 F HA 0.034 4.565 4.527 0.008 0.000 0.295 137 F C 2.350 178.093 175.800 -0.095 0.000 1.100 137 F CA 0.837 58.772 58.000 -0.108 0.000 1.260 137 F CB -0.583 38.344 39.000 -0.121 0.000 1.009 137 F HN -0.135 nan 8.300 nan 0.000 0.476 138 L N 0.010 121.268 121.223 0.058 0.000 2.012 138 L HA -0.231 4.113 4.340 0.007 0.000 0.210 138 L C 2.780 179.660 176.870 0.016 0.000 1.073 138 L CA 1.246 56.081 54.840 -0.008 0.000 0.748 138 L CB -1.048 40.963 42.059 -0.080 0.000 0.891 138 L HN 0.192 nan 8.230 nan 0.000 0.431 139 A N -0.889 121.946 122.820 0.024 0.000 1.883 139 A HA -0.274 4.050 4.320 0.007 0.000 0.217 139 A C 2.299 179.926 177.584 0.073 0.000 1.186 139 A CA 1.863 53.951 52.037 0.085 0.000 0.624 139 A CB -0.573 18.524 19.000 0.161 0.000 0.822 139 A HN 0.426 nan 8.150 nan 0.000 0.444 140 Q N -0.261 119.561 119.800 0.037 0.000 2.049 140 Q HA -0.070 4.274 4.340 0.007 0.000 0.198 140 Q C 2.197 178.225 176.000 0.048 0.000 0.971 140 Q CA 1.998 57.826 55.803 0.042 0.000 0.833 140 Q CB -0.274 28.467 28.738 0.005 0.000 0.896 140 Q HN 0.419 nan 8.270 nan 0.000 0.434 141 V N 1.229 121.171 119.914 0.046 0.000 2.407 141 V HA -0.101 4.023 4.120 0.007 0.000 0.245 141 V C 1.729 177.839 176.094 0.026 0.000 1.041 141 V CA 1.482 63.805 62.300 0.037 0.000 1.040 141 V CB -0.152 31.693 31.823 0.037 0.000 0.671 141 V HN 0.232 nan 8.190 nan 0.000 0.455 142 E N -0.135 120.078 120.200 0.023 0.000 2.474 142 E HA 0.195 4.550 4.350 0.007 0.000 0.195 142 E C 1.680 178.299 176.600 0.031 0.000 1.039 142 E CA 0.713 57.123 56.400 0.017 0.000 0.881 142 E CB 0.465 30.165 29.700 0.001 0.000 0.970 142 E HN 0.588 nan 8.360 nan 0.000 0.486 143 G N 1.741 110.569 108.800 0.048 0.000 2.198 143 G HA2 -0.306 3.658 3.960 0.007 0.000 0.260 143 G HA3 -0.306 3.658 3.960 0.007 0.000 0.260 143 G C 0.448 175.392 174.900 0.073 0.000 1.025 143 G CA 0.441 45.579 45.100 0.064 0.000 0.769 143 G HN 0.470 nan 8.290 nan 0.000 0.507 144 A N -0.821 122.042 122.820 0.071 0.000 2.302 144 A HA 0.765 5.089 4.320 0.007 0.000 0.285 144 A C 0.445 178.108 177.584 0.132 0.000 1.105 144 A CA -0.100 51.984 52.037 0.080 0.000 0.816 144 A CB 1.371 20.399 19.000 0.046 0.000 1.067 144 A HN 1.105 nan 8.150 nan 0.000 0.489 145 V N 2.657 122.657 119.914 0.144 0.000 2.406 145 V HA 0.348 4.472 4.120 0.007 0.000 0.272 145 V C -0.069 176.157 176.094 0.220 0.000 1.043 145 V CA -0.046 62.370 62.300 0.193 0.000 0.915 145 V CB 0.673 32.602 31.823 0.177 0.000 0.988 145 V HN 0.716 nan 8.190 nan 0.000 0.466 146 L N 6.178 127.586 121.223 0.308 0.000 2.341 146 L HA 0.762 5.106 4.340 0.007 0.000 0.278 146 L C -0.861 176.292 176.870 0.472 0.000 1.005 146 L CA -0.303 54.767 54.840 0.383 0.000 0.818 146 L CB 1.911 44.192 42.059 0.369 0.000 1.259 146 L HN 0.441 nan 8.230 nan 0.000 0.418 147 V N 2.959 123.129 119.914 0.426 0.000 2.735 147 V HA 0.738 4.862 4.120 0.007 0.000 0.310 147 V C -0.529 175.816 176.094 0.418 0.000 1.061 147 V CA -0.427 62.083 62.300 0.350 0.000 0.913 147 V CB 2.104 34.059 31.823 0.220 0.000 1.005 147 V HN 0.851 nan 8.190 nan 0.000 0.428 148 S N 4.768 120.701 115.700 0.388 0.000 2.540 148 S HA 0.859 5.333 4.470 0.007 0.000 0.275 148 S C -0.937 173.813 174.600 0.250 0.000 1.123 148 S CA -0.829 57.604 58.200 0.389 0.000 0.907 148 S CB 2.253 65.811 63.200 0.597 0.000 1.081 148 S HN 0.911 nan 8.310 nan 0.000 0.476 149 M N 1.538 121.252 119.600 0.191 0.000 2.535 149 M HA 0.634 5.118 4.480 0.007 0.000 0.314 149 M C -1.641 174.881 176.300 0.370 0.000 1.153 149 M CA -0.520 54.879 55.300 0.166 0.000 0.924 149 M CB 1.181 33.700 32.600 -0.135 0.000 1.710 149 M HN 0.567 nan 8.290 nan 0.000 0.451 150 N N 3.239 122.217 118.700 0.463 0.000 2.530 150 N HA 0.513 5.257 4.740 0.007 0.000 0.273 150 N C -1.376 174.416 175.510 0.470 0.000 1.173 150 N CA 0.235 53.571 53.050 0.477 0.000 0.967 150 N CB 0.337 39.032 38.487 0.347 0.000 1.109 150 N HN 0.718 nan 8.380 nan 0.000 0.453 151 Y N -1.961 118.517 120.300 0.297 0.000 2.504 151 Y HA 0.535 5.089 4.550 0.007 0.000 0.344 151 Y C -0.154 175.879 175.900 0.222 0.000 1.023 151 Y CA -1.331 56.893 58.100 0.207 0.000 1.020 151 Y CB 0.913 39.432 38.460 0.099 0.000 1.282 151 Y HN 0.213 nan 8.280 nan 0.000 0.454 152 R N 2.153 122.787 120.500 0.223 0.000 2.585 152 R HA 0.430 4.774 4.340 0.007 0.000 0.275 152 R C -0.167 176.287 176.300 0.257 0.000 1.018 152 R CA 0.023 56.216 56.100 0.155 0.000 1.072 152 R CB 0.596 30.957 30.300 0.103 0.000 0.953 152 R HN 0.710 nan 8.270 nan 0.000 0.419 153 V N -0.154 119.955 119.914 0.325 0.000 3.158 153 V HA 0.874 4.998 4.120 0.007 0.000 0.315 153 V C 0.828 177.296 176.094 0.623 0.000 1.148 153 V CA -0.196 62.432 62.300 0.546 0.000 1.042 153 V CB 1.159 33.196 31.823 0.356 0.000 1.101 153 V HN 0.976 nan 8.190 nan 0.000 0.448 154 G N 1.618 110.853 108.800 0.725 0.000 2.574 154 G HA2 -0.296 3.668 3.960 0.007 0.000 0.282 154 G HA3 -0.296 3.668 3.960 0.007 0.000 0.282 154 G C 1.022 176.163 174.900 0.402 0.000 1.257 154 G CA 1.563 47.047 45.100 0.641 0.000 0.956 154 G HN 2.337 nan 8.290 nan 0.000 0.560 155 T N -1.786 112.728 114.554 -0.067 0.000 2.699 155 T HA -0.127 4.227 4.350 0.007 0.000 0.268 155 T C 2.141 176.737 174.700 -0.174 0.000 1.036 155 T CA 2.631 64.405 62.100 -0.544 0.000 1.147 155 T CB -0.464 67.924 68.868 -0.801 0.000 0.862 155 T HN 0.621 nan 8.240 nan 0.000 0.446 156 F N 2.159 122.178 119.950 0.115 0.000 2.250 156 F HA 0.192 4.723 4.527 0.007 0.000 0.301 156 F C 2.703 178.504 175.800 0.002 0.000 1.077 156 F CA 0.852 58.870 58.000 0.031 0.000 1.348 156 F CB -0.795 38.199 39.000 -0.010 0.000 1.040 156 F HN 0.398 nan 8.300 nan 0.000 0.509 157 G N -2.285 106.591 108.800 0.127 0.000 2.762 157 G HA2 0.079 4.043 3.960 0.007 0.000 0.209 157 G HA3 0.079 4.043 3.960 0.007 0.000 0.209 157 G C 0.867 175.286 174.900 -0.801 0.000 1.134 157 G CA 0.183 45.081 45.100 -0.336 0.000 0.781 157 G HN 0.349 nan 8.290 nan 0.000 0.528 158 F N -0.750 119.313 119.950 0.189 0.000 2.975 158 F HA 0.414 4.946 4.527 0.007 0.000 0.366 158 F C 0.489 176.397 175.800 0.179 0.000 1.071 158 F CA -0.964 57.134 58.000 0.162 0.000 1.102 158 F CB 0.312 39.425 39.000 0.189 0.000 1.176 158 F HN -0.090 nan 8.300 nan 0.000 0.545 159 L N 2.290 123.590 121.223 0.128 0.000 2.559 159 L HA 0.483 4.827 4.340 0.007 0.000 0.274 159 L C -0.058 176.797 176.870 -0.025 0.000 1.205 159 L CA 0.072 54.878 54.840 -0.058 0.000 0.907 159 L CB 0.347 42.074 42.059 -0.552 0.000 1.153 159 L HN 0.135 nan 8.230 nan 0.000 0.490 160 A N 5.995 128.846 122.820 0.050 0.000 2.422 160 A HA 0.679 5.003 4.320 0.007 0.000 0.302 160 A C -1.196 176.379 177.584 -0.014 0.000 1.041 160 A CA -0.596 51.448 52.037 0.012 0.000 0.708 160 A CB 1.353 20.393 19.000 0.068 0.000 1.257 160 A HN 0.668 nan 8.150 nan 0.000 0.414 161 L N 3.397 124.593 121.223 -0.045 0.000 2.371 161 L HA 0.341 4.685 4.340 0.007 0.000 0.262 161 L C -2.419 174.445 176.870 -0.010 0.000 1.054 161 L CA -1.423 53.398 54.840 -0.032 0.000 0.924 161 L CB 1.256 43.282 42.059 -0.056 0.000 1.295 161 L HN 0.387 nan 8.230 nan 0.000 0.441 162 P HA 0.128 nan 4.420 nan 0.000 0.263 162 P C 0.976 178.281 177.300 0.009 0.000 1.195 162 P CA 0.694 63.802 63.100 0.012 0.000 0.762 162 P CB 0.933 32.641 31.700 0.013 0.000 0.799 163 G N 1.906 110.715 108.800 0.015 0.000 2.232 163 G HA2 -0.228 3.736 3.960 0.007 0.000 0.226 163 G HA3 -0.228 3.736 3.960 0.007 0.000 0.226 163 G C 0.448 175.355 174.900 0.013 0.000 0.996 163 G CA 0.204 45.312 45.100 0.014 0.000 0.626 163 G HN 0.779 nan 8.290 nan 0.000 0.509 164 S N -0.350 115.356 115.700 0.010 0.000 2.624 164 S HA 0.617 5.091 4.470 0.007 0.000 0.263 164 S C 1.221 175.833 174.600 0.020 0.000 1.287 164 S CA 0.558 58.763 58.200 0.009 0.000 0.990 164 S CB 1.966 65.165 63.200 -0.002 0.000 0.950 164 S HN 0.625 nan 8.310 nan 0.000 0.561 165 R N 0.077 120.590 120.500 0.023 0.000 2.128 165 R HA 0.112 4.457 4.340 0.007 0.000 0.211 165 R C 1.480 177.805 176.300 0.041 0.000 1.067 165 R CA 0.801 56.920 56.100 0.032 0.000 1.010 165 R CB -0.237 30.081 30.300 0.029 0.000 0.922 165 R HN 0.792 nan 8.270 nan 0.000 0.457 166 E N -0.060 120.164 120.200 0.040 0.000 2.299 166 E HA 0.088 4.442 4.350 0.007 0.000 0.193 166 E C -0.167 176.483 176.600 0.084 0.000 0.998 166 E CA 0.933 57.371 56.400 0.063 0.000 0.851 166 E CB 0.842 30.577 29.700 0.059 0.000 0.795 166 E HN 0.321 nan 8.360 nan 0.000 0.492 167 A N 0.862 123.705 122.820 0.038 0.000 3.300 167 A HA 0.288 4.612 4.320 0.007 0.000 0.300 167 A C -2.231 175.360 177.584 0.013 0.000 1.099 167 A CA -0.950 51.098 52.037 0.018 0.000 0.846 167 A CB 0.498 19.419 19.000 -0.131 0.000 1.255 167 A HN -0.082 nan 8.150 nan 0.000 0.519 168 P HA 0.183 nan 4.420 nan 0.000 0.241 168 P C 0.911 178.238 177.300 0.045 0.000 1.191 168 P CA 1.599 64.725 63.100 0.042 0.000 0.771 168 P CB 0.183 31.917 31.700 0.057 0.000 0.929 169 G N 1.030 109.856 108.800 0.044 0.000 2.746 169 G HA2 -0.201 3.763 3.960 0.007 0.000 0.685 169 G HA3 -0.201 3.763 3.960 0.007 0.000 0.685 169 G C -0.089 174.828 174.900 0.028 0.000 1.350 169 G CA -0.309 44.824 45.100 0.055 0.000 0.837 169 G HN 0.149 nan 8.290 nan 0.000 0.564 170 N N -2.334 116.386 118.700 0.033 0.000 2.708 170 N HA -0.284 4.460 4.740 0.007 0.000 0.251 170 N C 1.856 177.247 175.510 -0.198 0.000 1.123 170 N CA 2.328 55.336 53.050 -0.069 0.000 0.739 170 N CB -1.698 36.674 38.487 -0.193 0.000 1.113 170 N HN 1.905 nan 8.380 nan 0.000 0.561 171 V N -2.675 117.113 119.914 -0.210 0.000 2.515 171 V HA -0.020 4.105 4.120 0.007 0.000 0.250 171 V C 2.382 178.365 176.094 -0.185 0.000 1.058 171 V CA 2.262 64.482 62.300 -0.134 0.000 1.064 171 V CB -0.995 30.793 31.823 -0.058 0.000 0.675 171 V HN 0.266 nan 8.190 nan 0.000 0.461 172 G N 0.550 109.052 108.800 -0.497 0.000 2.469 172 G HA2 -0.204 3.760 3.960 0.007 0.000 0.220 172 G HA3 -0.204 3.760 3.960 0.007 0.000 0.220 172 G C 1.578 176.472 174.900 -0.011 0.000 1.136 172 G CA 1.381 46.312 45.100 -0.282 0.000 0.759 172 G HN 0.547 nan 8.290 nan 0.000 0.562 173 L N -0.248 120.915 121.223 -0.100 0.000 2.109 173 L HA 0.099 4.443 4.340 0.007 0.000 0.207 173 L C 2.840 179.742 176.870 0.054 0.000 1.086 173 L CA 0.300 55.039 54.840 -0.169 0.000 0.760 173 L CB -0.281 41.328 42.059 -0.749 0.000 0.910 173 L HN 0.179 nan 8.230 nan 0.000 0.437 174 L N -0.483 120.778 121.223 0.062 0.000 2.131 174 L HA -0.213 4.131 4.340 0.007 0.000 0.210 174 L C 2.160 179.165 176.870 0.225 0.000 1.092 174 L CA 0.875 55.851 54.840 0.227 0.000 0.759 174 L CB -0.605 41.562 42.059 0.179 0.000 0.903 174 L HN 0.302 nan 8.230 nan 0.000 0.435 175 D N -0.043 120.475 120.400 0.196 0.000 2.084 175 D HA -0.201 4.443 4.640 0.007 0.000 0.194 175 D C 2.259 178.749 176.300 0.316 0.000 0.990 175 D CA 1.162 55.353 54.000 0.319 0.000 0.826 175 D CB -0.246 40.751 40.800 0.328 0.000 0.971 175 D HN 0.377 nan 8.370 nan 0.000 0.453 176 Q N 0.214 120.122 119.800 0.181 0.000 2.077 176 Q HA -0.192 4.153 4.340 0.007 0.000 0.206 176 Q C 2.310 178.334 176.000 0.040 0.000 0.989 176 Q CA 1.324 57.158 55.803 0.051 0.000 0.853 176 Q CB -0.139 28.630 28.738 0.051 0.000 0.907 176 Q HN 0.216 nan 8.270 nan 0.000 0.418 177 R N 0.531 121.154 120.500 0.206 0.000 2.081 177 R HA -0.185 4.160 4.340 0.007 0.000 0.235 177 R C 2.251 178.632 176.300 0.134 0.000 1.131 177 R CA 1.112 57.319 56.100 0.179 0.000 0.960 177 R CB -0.271 30.233 30.300 0.341 0.000 0.856 177 R HN 0.224 nan 8.270 nan 0.000 0.436 178 L N 0.871 122.210 121.223 0.194 0.000 2.012 178 L HA -0.109 4.235 4.340 0.007 0.000 0.210 178 L C 2.335 179.293 176.870 0.148 0.000 1.073 178 L CA 2.237 57.219 54.840 0.237 0.000 0.748 178 L CB -0.774 41.508 42.059 0.371 0.000 0.891 178 L HN 0.287 nan 8.230 nan 0.000 0.431 179 A N -0.575 122.151 122.820 -0.157 0.000 1.908 179 A HA -0.181 4.143 4.320 0.007 0.000 0.218 179 A C 2.227 179.769 177.584 -0.070 0.000 1.181 179 A CA 1.988 53.732 52.037 -0.489 0.000 0.627 179 A CB -0.896 17.542 19.000 -0.937 0.000 0.818 179 A HN 0.527 nan 8.150 nan 0.000 0.445 180 L N -1.084 120.115 121.223 -0.041 0.000 2.046 180 L HA -0.263 4.081 4.340 0.007 0.000 0.208 180 L C 2.837 179.769 176.870 0.104 0.000 1.077 180 L CA 1.703 56.560 54.840 0.029 0.000 0.747 180 L CB -0.932 41.107 42.059 -0.032 0.000 0.896 180 L HN 0.496 nan 8.230 nan 0.000 0.432 181 Q N -0.817 119.056 119.800 0.121 0.000 2.084 181 Q HA -0.266 4.078 4.340 0.007 0.000 0.202 181 Q C 2.053 178.148 176.000 0.159 0.000 0.978 181 Q CA 2.101 57.981 55.803 0.129 0.000 0.844 181 Q CB -0.342 28.477 28.738 0.135 0.000 0.898 181 Q HN 0.528 nan 8.270 nan 0.000 0.426 182 W N 0.595 121.919 121.300 0.039 0.000 2.321 182 W HA -0.256 4.408 4.660 0.007 0.000 0.306 182 W C 1.871 178.421 176.519 0.051 0.000 1.217 182 W CA 1.498 58.879 57.345 0.060 0.000 1.257 182 W CB -0.113 29.381 29.460 0.057 0.000 1.145 182 W HN -0.124 nan 8.180 nan 0.000 0.509 183 V N 0.679 120.797 119.914 0.340 0.000 2.358 183 V HA -0.331 3.793 4.120 0.007 0.000 0.246 183 V C 2.535 178.634 176.094 0.009 0.000 1.047 183 V CA 1.998 64.419 62.300 0.201 0.000 1.035 183 V CB -1.013 30.952 31.823 0.237 0.000 0.658 183 V HN 0.190 nan 8.190 nan 0.000 0.452 184 Q N -0.061 119.755 119.800 0.025 0.000 2.096 184 Q HA -0.275 4.069 4.340 0.007 0.000 0.204 184 Q C 2.249 178.206 176.000 -0.071 0.000 0.982 184 Q CA 2.215 58.013 55.803 -0.007 0.000 0.850 184 Q CB -0.308 28.438 28.738 0.012 0.000 0.901 184 Q HN 0.814 nan 8.270 nan 0.000 0.422 185 E N -0.364 119.758 120.200 -0.130 0.000 2.158 185 E HA -0.074 4.281 4.350 0.007 0.000 0.191 185 E C 1.196 177.640 176.600 -0.259 0.000 0.982 185 E CA 0.697 56.992 56.400 -0.175 0.000 0.823 185 E CB 0.313 29.911 29.700 -0.171 0.000 0.766 185 E HN 0.279 nan 8.360 nan 0.000 0.468 186 N N -0.207 118.242 118.700 -0.419 0.000 2.317 186 N HA -0.003 4.741 4.740 0.007 0.000 0.199 186 N C 1.478 176.865 175.510 -0.206 0.000 1.145 186 N CA 0.040 52.792 53.050 -0.496 0.000 0.882 186 N CB 0.302 38.099 38.487 -1.149 0.000 1.113 186 N HN 0.115 nan 8.380 nan 0.000 0.486 187 I N 2.488 122.993 120.570 -0.108 0.000 2.423 187 I HA -0.135 4.039 4.170 0.007 0.000 0.254 187 I C 2.148 178.372 176.117 0.178 0.000 1.151 187 I CA 0.602 61.986 61.300 0.140 0.000 1.421 187 I CB -0.245 37.821 38.000 0.111 0.000 1.079 187 I HN 0.055 nan 8.210 nan 0.000 0.431 188 A N 0.190 123.038 122.820 0.046 0.000 1.972 188 A HA -0.111 4.214 4.320 0.007 0.000 0.219 188 A C 2.481 180.052 177.584 -0.021 0.000 1.169 188 A CA 1.495 53.543 52.037 0.019 0.000 0.635 188 A CB -1.061 17.926 19.000 -0.022 0.000 0.810 188 A HN 0.466 nan 8.150 nan 0.000 0.446 189 A N -1.399 121.363 122.820 -0.097 0.000 2.076 189 A HA 0.016 4.341 4.320 0.007 0.000 0.220 189 A C 1.504 178.837 177.584 -0.418 0.000 1.160 189 A CA 1.309 53.168 52.037 -0.298 0.000 0.653 189 A CB -0.656 18.060 19.000 -0.474 0.000 0.801 189 A HN 0.517 nan 8.150 nan 0.000 0.455 190 F N -1.464 118.437 119.950 -0.081 0.000 2.695 190 F HA 0.395 4.926 4.527 0.007 0.000 0.303 190 F C 1.747 177.553 175.800 0.011 0.000 1.091 190 F CA 0.412 58.382 58.000 -0.049 0.000 1.300 190 F CB 0.229 39.212 39.000 -0.028 0.000 1.071 190 F HN 0.310 nan 8.300 nan 0.000 0.578 191 G N 0.376 109.255 108.800 0.132 0.000 2.157 191 G HA2 -0.186 3.778 3.960 0.007 0.000 0.248 191 G HA3 -0.186 3.778 3.960 0.007 0.000 0.248 191 G C 0.633 175.601 174.900 0.114 0.000 0.979 191 G CA -0.224 44.934 45.100 0.097 0.000 0.650 191 G HN 0.726 nan 8.290 nan 0.000 0.529 192 G N -0.530 108.358 108.800 0.147 0.000 2.476 192 G HA2 0.473 4.437 3.960 0.007 0.000 0.269 192 G HA3 0.473 4.437 3.960 0.007 0.000 0.269 192 G C -0.642 174.308 174.900 0.085 0.000 1.195 192 G CA 0.242 45.416 45.100 0.123 0.000 0.843 192 G HN 0.215 nan 8.290 nan 0.000 0.545 193 D N 1.666 122.110 120.400 0.073 0.000 2.380 193 D HA 0.254 4.898 4.640 0.007 0.000 0.230 193 D C -1.118 175.217 176.300 0.058 0.000 1.154 193 D CA -2.333 51.699 54.000 0.054 0.000 0.859 193 D CB 1.891 42.720 40.800 0.048 0.000 1.045 193 D HN 0.053 nan 8.370 nan 0.000 0.495 194 P HA -0.076 nan 4.420 nan 0.000 0.226 194 P C 1.137 178.461 177.300 0.041 0.000 1.153 194 P CA 0.677 63.802 63.100 0.043 0.000 0.777 194 P CB 0.152 31.861 31.700 0.015 0.000 0.794 195 M N -1.148 118.473 119.600 0.034 0.000 2.568 195 M HA 0.097 4.582 4.480 0.007 0.000 0.226 195 M C 0.598 176.957 176.300 0.098 0.000 1.148 195 M CA 0.458 55.774 55.300 0.027 0.000 1.007 195 M CB 0.038 32.643 32.600 0.008 0.000 1.651 195 M HN -0.173 nan 8.290 nan 0.000 0.488 196 S N 0.821 116.587 115.700 0.109 0.000 2.440 196 S HA 0.372 4.846 4.470 0.007 0.000 0.142 196 S C -1.043 173.624 174.600 0.112 0.000 1.578 196 S CA -0.494 57.784 58.200 0.130 0.000 1.260 196 S CB 0.433 63.676 63.200 0.071 0.000 1.407 196 S HN 0.014 nan 8.310 nan 0.000 0.392 197 V N 3.409 123.417 119.914 0.158 0.000 2.384 197 V HA 0.557 4.681 4.120 0.007 0.000 0.287 197 V C 0.015 176.239 176.094 0.217 0.000 1.020 197 V CA -0.340 62.065 62.300 0.175 0.000 0.850 197 V CB 1.857 33.795 31.823 0.193 0.000 0.987 197 V HN 0.684 nan 8.190 nan 0.000 0.436 198 T N 6.672 121.326 114.554 0.168 0.000 2.770 198 T HA 0.568 4.922 4.350 0.007 0.000 0.283 198 T C -0.227 174.599 174.700 0.210 0.000 0.988 198 T CA -0.344 61.861 62.100 0.175 0.000 0.957 198 T CB 0.826 69.738 68.868 0.074 0.000 0.930 198 T HN 0.337 nan 8.240 nan 0.000 0.443 199 L N 5.074 126.394 121.223 0.162 0.000 2.349 199 L HA 0.638 4.983 4.340 0.007 0.000 0.275 199 L C -0.324 176.737 176.870 0.318 0.000 1.115 199 L CA -0.728 54.181 54.840 0.115 0.000 0.820 199 L CB 0.219 42.133 42.059 -0.242 0.000 1.135 199 L HN 0.618 nan 8.230 nan 0.000 0.445 200 F N 0.643 120.656 119.950 0.106 0.000 2.613 200 F HA 0.984 5.515 4.527 0.006 0.000 0.314 200 F C -0.245 175.542 175.800 -0.022 0.000 1.075 200 F CA -1.560 56.548 58.000 0.181 0.000 0.945 200 F CB 1.664 40.911 39.000 0.411 0.000 1.310 200 F HN 0.490 nan 8.300 nan 0.000 0.467 201 G N 0.775 109.437 108.800 -0.230 0.000 2.489 201 G HA2 0.475 4.440 3.960 0.007 0.000 0.291 201 G HA3 0.475 4.440 3.960 0.007 0.000 0.291 201 G C -2.590 172.079 174.900 -0.384 0.000 1.487 201 G CA -0.782 43.749 45.100 -0.948 0.000 0.795 201 G HN 0.897 nan 8.290 nan 0.000 0.513 202 E N 0.166 120.099 120.200 -0.445 0.000 2.312 202 E HA 0.673 5.027 4.350 0.007 0.000 0.267 202 E C 0.721 177.261 176.600 -0.101 0.000 0.894 202 E CA 0.320 56.693 56.400 -0.044 0.000 0.773 202 E CB 2.249 32.072 29.700 0.205 0.000 1.241 202 E HN 1.036 nan 8.360 nan 0.000 0.432 203 S N 2.307 118.022 115.700 0.025 0.000 4.112 203 S HA -0.396 4.078 4.470 0.007 0.000 0.602 203 S C 1.465 176.143 174.600 0.130 0.000 1.939 203 S CA 2.386 60.670 58.200 0.141 0.000 4.230 203 S CB -1.615 61.595 63.200 0.017 0.000 0.245 203 S HN 0.994 nan 8.310 nan 0.000 0.530 204 A N 1.060 123.800 122.820 -0.133 0.000 2.070 204 A HA 0.200 4.524 4.320 0.007 0.000 0.220 204 A C 2.429 179.758 177.584 -0.424 0.000 1.159 204 A CA 2.262 54.031 52.037 -0.447 0.000 0.656 204 A CB -1.499 16.726 19.000 -1.292 0.000 0.800 204 A HN 1.499 nan 8.150 nan 0.000 0.453 205 G N -0.423 108.168 108.800 -0.349 0.000 2.402 205 G HA2 0.033 3.997 3.960 0.007 0.000 0.216 205 G HA3 0.033 3.997 3.960 0.007 0.000 0.216 205 G C 1.748 176.475 174.900 -0.287 0.000 1.162 205 G CA 1.243 46.087 45.100 -0.427 0.000 0.777 205 G HN 0.740 nan 8.290 nan 0.000 0.539 206 A N 1.241 123.964 122.820 -0.162 0.000 1.902 206 A HA 0.230 4.554 4.320 0.007 0.000 0.217 206 A C 2.812 180.387 177.584 -0.015 0.000 1.181 206 A CA 2.349 54.360 52.037 -0.044 0.000 0.623 206 A CB -0.810 18.227 19.000 0.061 0.000 0.818 206 A HN 0.785 nan 8.150 nan 0.000 0.443 207 A N -0.592 122.248 122.820 0.033 0.000 1.902 207 A HA -0.051 4.273 4.320 0.007 0.000 0.217 207 A C 2.436 180.036 177.584 0.026 0.000 1.181 207 A CA 2.008 54.064 52.037 0.032 0.000 0.623 207 A CB -0.879 18.177 19.000 0.093 0.000 0.818 207 A HN 0.457 nan 8.150 nan 0.000 0.443 208 S N -0.304 115.406 115.700 0.016 0.000 2.353 208 S HA -0.173 4.301 4.470 0.007 0.000 0.222 208 S C 1.907 176.467 174.600 -0.066 0.000 1.035 208 S CA 1.545 59.709 58.200 -0.060 0.000 1.025 208 S CB -0.658 62.445 63.200 -0.163 0.000 0.902 208 S HN 0.344 nan 8.310 nan 0.000 0.440 209 V N 1.696 121.583 119.914 -0.045 0.000 2.324 209 V HA -0.221 3.903 4.120 0.007 0.000 0.250 209 V C 2.602 178.693 176.094 -0.005 0.000 1.060 209 V CA 2.068 64.351 62.300 -0.028 0.000 1.042 209 V CB -1.511 30.271 31.823 -0.069 0.000 0.650 209 V HN 0.621 nan 8.190 nan 0.000 0.450 210 G N -1.160 107.633 108.800 -0.012 0.000 2.422 210 G HA2 -0.272 3.693 3.960 0.007 0.000 0.218 210 G HA3 -0.272 3.693 3.960 0.007 0.000 0.218 210 G C 1.606 176.524 174.900 0.029 0.000 1.146 210 G CA 1.043 46.143 45.100 -0.001 0.000 0.769 210 G HN 0.457 nan 8.290 nan 0.000 0.547 211 M N -0.129 119.467 119.600 -0.007 0.000 2.229 211 M HA 0.014 4.498 4.480 0.007 0.000 0.264 211 M C 2.283 178.644 176.300 0.102 0.000 1.063 211 M CA 0.837 56.158 55.300 0.034 0.000 1.114 211 M CB -0.231 32.356 32.600 -0.022 0.000 1.387 211 M HN 0.207 nan 8.290 nan 0.000 0.420 212 H N -0.154 119.030 119.070 0.190 0.000 2.423 212 H HA -0.011 4.549 4.556 0.007 0.000 0.297 212 H C 2.105 177.633 175.328 0.333 0.000 1.075 212 H CA 1.384 57.557 56.048 0.209 0.000 1.342 212 H CB -0.299 29.472 29.762 0.014 0.000 1.395 212 H HN 0.416 nan 8.280 nan 0.000 0.530 213 I N 0.627 121.442 120.570 0.408 0.000 2.315 213 I HA -0.224 3.950 4.170 0.007 0.000 0.248 213 I C 1.902 178.216 176.117 0.328 0.000 1.117 213 I CA 0.975 62.549 61.300 0.456 0.000 1.404 213 I CB -0.037 38.141 38.000 0.296 0.000 1.071 213 I HN 0.111 nan 8.210 nan 0.000 0.419 214 L N -0.988 120.376 121.223 0.235 0.000 2.567 214 L HA 0.098 4.442 4.340 0.007 0.000 0.225 214 L C 0.964 177.896 176.870 0.103 0.000 1.119 214 L CA 0.062 55.017 54.840 0.193 0.000 0.871 214 L CB 0.012 42.161 42.059 0.150 0.000 1.036 214 L HN 0.024 nan 8.230 nan 0.000 0.459 215 S N -0.160 115.576 115.700 0.059 0.000 2.498 215 S HA 0.240 4.714 4.470 0.007 0.000 0.324 215 S C 0.638 175.180 174.600 -0.098 0.000 1.071 215 S CA -0.616 57.504 58.200 -0.133 0.000 1.113 215 S CB 1.362 64.240 63.200 -0.537 0.000 0.976 215 S HN 0.124 nan 8.310 nan 0.000 0.462 216 L N 7.367 128.536 121.223 -0.090 0.000 2.013 216 L HA 0.110 4.454 4.340 0.007 0.000 0.212 216 L C -1.071 175.764 176.870 -0.059 0.000 1.073 216 L CA 2.120 56.926 54.840 -0.057 0.000 0.753 216 L CB -1.092 40.932 42.059 -0.058 0.000 0.890 216 L HN 0.501 nan 8.230 nan 0.000 0.432 217 P HA -0.060 nan 4.420 nan 0.000 0.228 217 P C 1.401 178.700 177.300 -0.002 0.000 1.151 217 P CA 1.141 64.207 63.100 -0.056 0.000 0.770 217 P CB 0.039 31.694 31.700 -0.075 0.000 0.786 218 S N -1.193 114.528 115.700 0.036 0.000 2.503 218 S HA 0.074 4.548 4.470 0.007 0.000 0.217 218 S C 1.766 176.501 174.600 0.224 0.000 0.999 218 S CA 0.144 58.463 58.200 0.199 0.000 0.914 218 S CB -0.202 63.243 63.200 0.409 0.000 0.782 218 S HN 0.078 nan 8.310 nan 0.000 0.520 219 R N 2.028 122.564 120.500 0.061 0.000 2.148 219 R HA 0.028 4.373 4.340 0.007 0.000 0.227 219 R C 2.186 178.318 176.300 -0.279 0.000 1.103 219 R CA 1.241 57.237 56.100 -0.174 0.000 0.983 219 R CB -1.019 29.207 30.300 -0.122 0.000 0.874 219 R HN 0.540 nan 8.270 nan 0.000 0.451 220 S N 0.161 115.785 115.700 -0.125 0.000 2.555 220 S HA 0.043 4.518 4.470 0.007 0.000 0.230 220 S C 1.775 176.328 174.600 -0.079 0.000 0.978 220 S CA 0.424 58.555 58.200 -0.116 0.000 0.934 220 S CB -0.176 62.983 63.200 -0.067 0.000 0.766 220 S HN 0.220 nan 8.310 nan 0.000 0.533 221 L N 0.235 121.453 121.223 -0.008 0.000 2.640 221 L HA 0.467 4.811 4.340 0.007 0.000 0.230 221 L C 0.086 177.093 176.870 0.228 0.000 1.123 221 L CA -0.276 54.631 54.840 0.112 0.000 0.900 221 L CB -0.103 42.055 42.059 0.164 0.000 1.146 221 L HN 0.491 nan 8.230 nan 0.000 0.484 222 F N -4.552 115.408 119.950 0.017 0.000 2.741 222 F HA 0.371 4.902 4.527 0.006 0.000 0.313 222 F C 0.439 176.292 175.800 0.088 0.000 1.153 222 F CA -1.066 56.968 58.000 0.056 0.000 0.931 222 F CB 1.076 40.115 39.000 0.065 0.000 1.335 222 F HN -0.195 nan 8.300 nan 0.000 0.460 223 H N -0.700 118.418 119.070 0.081 0.000 2.800 223 H HA 0.537 5.098 4.556 0.008 0.000 0.257 223 H C -0.067 175.302 175.328 0.068 0.000 0.967 223 H CA -0.206 55.821 56.048 -0.035 0.000 1.192 223 H CB 0.616 30.364 29.762 -0.023 0.000 1.441 223 H HN 0.565 nan 8.280 nan 0.000 0.461 224 R N -0.295 120.429 120.500 0.374 0.000 2.817 224 R HA 0.704 5.048 4.340 0.007 0.000 0.268 224 R C -1.792 174.755 176.300 0.413 0.000 1.027 224 R CA -0.515 55.739 56.100 0.256 0.000 0.928 224 R CB 2.491 32.713 30.300 -0.130 0.000 1.228 224 R HN 0.133 nan 8.270 nan 0.000 0.469 225 A N 0.930 123.994 122.820 0.408 0.000 2.517 225 A HA 0.628 4.952 4.320 0.007 0.000 0.297 225 A C -1.551 176.195 177.584 0.269 0.000 1.050 225 A CA -0.580 51.636 52.037 0.297 0.000 0.694 225 A CB 1.782 20.930 19.000 0.247 0.000 1.277 225 A HN 0.300 nan 8.150 nan 0.000 0.400 226 V N 2.379 122.411 119.914 0.196 0.000 2.487 226 V HA 0.542 4.667 4.120 0.007 0.000 0.298 226 V C -1.066 175.123 176.094 0.159 0.000 1.028 226 V CA -0.362 61.997 62.300 0.097 0.000 0.860 226 V CB 1.371 33.254 31.823 0.100 0.000 0.991 226 V HN 0.699 nan 8.190 nan 0.000 0.427 227 L N 5.155 126.444 121.223 0.110 0.000 2.318 227 L HA 0.511 4.855 4.340 0.007 0.000 0.277 227 L C -0.019 176.962 176.870 0.184 0.000 1.008 227 L CA 0.036 54.942 54.840 0.111 0.000 0.846 227 L CB 1.522 43.601 42.059 0.033 0.000 1.220 227 L HN 0.626 nan 8.230 nan 0.000 0.423 228 Q N 1.961 121.923 119.800 0.269 0.000 2.331 228 Q HA 0.430 4.775 4.340 0.007 0.000 0.257 228 Q C 0.226 176.376 176.000 0.251 0.000 0.957 228 Q CA -0.518 55.507 55.803 0.371 0.000 0.923 228 Q CB 1.245 30.292 28.738 0.515 0.000 1.212 228 Q HN 0.618 nan 8.270 nan 0.000 0.443 229 S N 0.999 116.837 115.700 0.230 0.000 3.614 229 S HA -0.171 4.303 4.470 0.007 0.000 0.360 229 S C 0.060 174.873 174.600 0.355 0.000 1.023 229 S CA 0.534 58.900 58.200 0.276 0.000 1.114 229 S CB -1.243 62.133 63.200 0.293 0.000 0.907 229 S HN 0.991 nan 8.310 nan 0.000 0.470 230 G N -0.391 108.567 108.800 0.263 0.000 2.616 230 G HA2 0.637 4.602 3.960 0.007 0.000 0.294 230 G HA3 0.637 4.602 3.960 0.007 0.000 0.294 230 G C -0.901 174.073 174.900 0.123 0.000 1.489 230 G CA 0.146 45.448 45.100 0.336 0.000 0.836 230 G HN 0.911 nan 8.290 nan 0.000 0.527 231 T N -1.174 113.384 114.554 0.008 0.000 2.883 231 T HA 0.765 5.119 4.350 0.007 0.000 0.301 231 T C -2.332 172.221 174.700 -0.244 0.000 1.158 231 T CA -1.449 60.579 62.100 -0.121 0.000 1.007 231 T CB 3.160 71.938 68.868 -0.150 0.000 1.186 231 T HN 0.279 nan 8.240 nan 0.000 0.499 232 P HA 0.023 nan 4.420 nan 0.000 0.224 232 P C 0.243 177.389 177.300 -0.256 0.000 1.157 232 P CA 0.479 63.459 63.100 -0.200 0.000 0.799 232 P CB -0.018 31.621 31.700 -0.102 0.000 0.809 233 N N 0.747 119.311 118.700 -0.227 0.000 2.347 233 N HA 0.303 5.047 4.740 0.007 0.000 0.253 233 N C 0.766 176.065 175.510 -0.352 0.000 1.274 233 N CA 0.633 53.545 53.050 -0.230 0.000 0.941 233 N CB 0.148 38.542 38.487 -0.156 0.000 1.200 233 N HN 0.200 nan 8.380 nan 0.000 0.514 234 G N -0.926 107.679 108.800 -0.324 0.000 2.525 234 G HA2 -0.100 3.864 3.960 0.007 0.000 0.685 234 G HA3 -0.100 3.864 3.960 0.007 0.000 0.685 234 G C -2.460 172.185 174.900 -0.425 0.000 1.290 234 G CA -0.221 44.628 45.100 -0.420 0.000 0.915 234 G HN 0.552 nan 8.290 nan 0.000 0.548 235 P HA 0.178 nan 4.420 nan 0.000 0.251 235 P C 1.352 178.580 177.300 -0.120 0.000 1.223 235 P CA 1.539 64.490 63.100 -0.248 0.000 0.796 235 P CB -0.039 31.505 31.700 -0.260 0.000 1.068 236 W N -1.683 119.532 121.300 -0.142 0.000 2.865 236 W HA 0.562 5.225 4.660 0.006 0.000 0.300 236 W C 0.968 177.574 176.519 0.144 0.000 1.096 236 W CA 0.435 57.783 57.345 0.006 0.000 1.524 236 W CB -0.758 28.760 29.460 0.097 0.000 0.991 236 W HN -0.171 nan 8.180 nan 0.000 0.571 237 A N 1.935 124.489 122.820 -0.444 0.000 2.119 237 A HA 0.139 4.463 4.320 0.007 0.000 0.216 237 A C 1.138 178.600 177.584 -0.203 0.000 1.152 237 A CA 1.777 53.616 52.037 -0.331 0.000 0.708 237 A CB -0.762 17.771 19.000 -0.778 0.000 0.805 237 A HN 0.242 nan 8.150 nan 0.000 0.460 238 T N -3.274 111.166 114.554 -0.191 0.000 2.865 238 T HA 0.623 4.977 4.350 0.007 0.000 0.294 238 T C -0.644 173.988 174.700 -0.113 0.000 1.119 238 T CA -0.117 61.879 62.100 -0.174 0.000 1.007 238 T CB 1.432 70.203 68.868 -0.161 0.000 1.225 238 T HN 0.899 nan 8.240 nan 0.000 0.515 239 V N -1.227 118.627 119.914 -0.100 0.000 3.040 239 V HA 0.898 5.022 4.120 0.007 0.000 0.312 239 V C 0.293 176.352 176.094 -0.059 0.000 1.115 239 V CA -0.815 61.439 62.300 -0.076 0.000 0.998 239 V CB 1.346 33.123 31.823 -0.076 0.000 1.042 239 V HN 1.396 nan 8.190 nan 0.000 0.433 240 S N 1.982 117.652 115.700 -0.052 0.000 2.589 240 S HA 0.532 5.006 4.470 0.007 0.000 0.265 240 S C 1.458 176.042 174.600 -0.027 0.000 1.342 240 S CA 0.150 58.327 58.200 -0.037 0.000 1.005 240 S CB 1.137 64.314 63.200 -0.037 0.000 0.909 240 S HN 2.011 nan 8.310 nan 0.000 0.555 241 A N 2.376 125.186 122.820 -0.016 0.000 1.908 241 A HA 0.063 4.387 4.320 0.007 0.000 0.218 241 A C 2.245 179.822 177.584 -0.012 0.000 1.181 241 A CA 1.912 53.945 52.037 -0.007 0.000 0.627 241 A CB -1.890 17.109 19.000 -0.001 0.000 0.818 241 A HN 1.198 nan 8.150 nan 0.000 0.445 242 G N -0.619 108.170 108.800 -0.018 0.000 2.418 242 G HA2 -0.235 3.729 3.960 0.007 0.000 0.217 242 G HA3 -0.235 3.729 3.960 0.007 0.000 0.217 242 G C 1.488 176.371 174.900 -0.029 0.000 1.158 242 G CA 1.418 46.505 45.100 -0.022 0.000 0.771 242 G HN 0.585 nan 8.290 nan 0.000 0.545 243 E N 1.012 121.189 120.200 -0.039 0.000 2.072 243 E HA 0.120 4.475 4.350 0.007 0.000 0.190 243 E C 2.675 179.240 176.600 -0.058 0.000 0.982 243 E CA 1.339 57.705 56.400 -0.056 0.000 0.803 243 E CB -0.611 29.048 29.700 -0.068 0.000 0.755 243 E HN 0.247 nan 8.360 nan 0.000 0.453 244 A N 1.132 123.929 122.820 -0.038 0.000 1.908 244 A HA -0.240 4.084 4.320 0.007 0.000 0.218 244 A C 2.311 179.906 177.584 0.018 0.000 1.181 244 A CA 1.988 54.022 52.037 -0.005 0.000 0.627 244 A CB -0.693 18.323 19.000 0.027 0.000 0.818 244 A HN 0.301 nan 8.150 nan 0.000 0.445 245 R N -0.711 119.791 120.500 0.002 0.000 2.070 245 R HA -0.138 4.206 4.340 0.007 0.000 0.233 245 R C 2.460 178.759 176.300 -0.002 0.000 1.137 245 R CA 1.587 57.687 56.100 0.001 0.000 0.945 245 R CB -0.365 29.930 30.300 -0.008 0.000 0.845 245 R HN 0.494 nan 8.270 nan 0.000 0.430 246 R N 0.373 120.863 120.500 -0.016 0.000 2.094 246 R HA -0.182 4.162 4.340 0.007 0.000 0.239 246 R C 2.365 178.655 176.300 -0.017 0.000 1.137 246 R CA 2.271 58.357 56.100 -0.023 0.000 0.943 246 R CB -0.167 30.109 30.300 -0.040 0.000 0.850 246 R HN 0.318 nan 8.270 nan 0.000 0.433 247 R N -0.545 119.933 120.500 -0.036 0.000 2.075 247 R HA -0.072 4.272 4.340 0.007 0.000 0.232 247 R C 2.311 178.693 176.300 0.136 0.000 1.126 247 R CA 1.315 57.389 56.100 -0.043 0.000 0.963 247 R CB -0.303 29.836 30.300 -0.269 0.000 0.858 247 R HN 0.246 nan 8.270 nan 0.000 0.435 248 A N 0.471 123.398 122.820 0.178 0.000 1.930 248 A HA -0.122 4.202 4.320 0.007 0.000 0.217 248 A C 2.130 179.743 177.584 0.048 0.000 1.175 248 A CA 1.762 53.894 52.037 0.158 0.000 0.627 248 A CB -0.685 18.348 19.000 0.055 0.000 0.815 248 A HN 0.258 nan 8.150 nan 0.000 0.443 249 T N 0.128 114.696 114.554 0.024 0.000 2.777 249 T HA -0.118 4.237 4.350 0.007 0.000 0.266 249 T C 1.837 176.544 174.700 0.011 0.000 1.040 249 T CA 1.476 63.577 62.100 0.001 0.000 1.141 249 T CB -0.342 68.522 68.868 -0.006 0.000 0.868 249 T HN 0.313 nan 8.240 nan 0.000 0.444 250 L N 1.120 122.359 121.223 0.026 0.000 2.027 250 L HA 0.102 4.447 4.340 0.007 0.000 0.206 250 L C 2.210 179.110 176.870 0.050 0.000 1.074 250 L CA 1.457 56.315 54.840 0.030 0.000 0.745 250 L CB -0.958 41.116 42.059 0.025 0.000 0.898 250 L HN 0.185 nan 8.230 nan 0.000 0.433 251 L N -0.019 121.263 121.223 0.099 0.000 2.012 251 L HA -0.151 4.193 4.340 0.007 0.000 0.210 251 L C 2.548 179.428 176.870 0.017 0.000 1.073 251 L CA 2.134 57.039 54.840 0.108 0.000 0.748 251 L CB -0.979 41.202 42.059 0.204 0.000 0.891 251 L HN 0.316 nan 8.230 nan 0.000 0.431 252 A N 0.537 123.356 122.820 -0.003 0.000 1.884 252 A HA -0.316 4.008 4.320 0.007 0.000 0.219 252 A C 2.309 179.874 177.584 -0.032 0.000 1.197 252 A CA 2.571 54.589 52.037 -0.031 0.000 0.637 252 A CB -0.789 18.187 19.000 -0.040 0.000 0.827 252 A HN 0.661 nan 8.150 nan 0.000 0.450 253 R N -0.254 120.233 120.500 -0.021 0.000 2.096 253 R HA 0.027 4.371 4.340 0.007 0.000 0.235 253 R C 1.909 178.180 176.300 -0.048 0.000 1.127 253 R CA 1.417 57.501 56.100 -0.026 0.000 0.968 253 R CB -0.787 29.505 30.300 -0.014 0.000 0.861 253 R HN 0.476 nan 8.270 nan 0.000 0.440 254 L N 1.833 123.021 121.223 -0.060 0.000 2.261 254 L HA -0.096 4.248 4.340 0.007 0.000 0.216 254 L C 1.863 178.550 176.870 -0.306 0.000 1.114 254 L CA 0.836 55.593 54.840 -0.139 0.000 0.777 254 L CB -0.247 41.760 42.059 -0.087 0.000 0.910 254 L HN 0.200 nan 8.230 nan 0.000 0.440 255 V N -4.214 115.571 119.914 -0.214 0.000 3.319 255 V HA 0.527 4.651 4.120 0.007 0.000 0.317 255 V C 0.991 177.041 176.094 -0.073 0.000 1.411 255 V CA 0.076 62.269 62.300 -0.179 0.000 1.112 255 V CB -0.191 31.565 31.823 -0.111 0.000 1.031 255 V HN 0.373 nan 8.190 nan 0.000 0.448 256 G N 0.046 108.811 108.800 -0.058 0.000 2.248 256 G HA2 -0.220 3.744 3.960 0.007 0.000 0.263 256 G HA3 -0.220 3.744 3.960 0.007 0.000 0.263 256 G C -0.111 174.779 174.900 -0.017 0.000 1.082 256 G CA 0.012 45.096 45.100 -0.027 0.000 0.863 256 G HN 0.760 nan 8.290 nan 0.000 0.495 257 c N 2.221 120.809 118.600 -0.022 0.000 2.521 257 c HA 0.529 5.103 4.570 0.007 0.000 0.291 257 c C -0.835 173.245 174.090 -0.016 0.000 1.074 257 c CA -1.381 54.939 56.329 -0.015 0.000 1.495 257 c CB 0.877 43.377 42.510 -0.017 0.000 1.862 257 c HN 0.585 nan 8.230 nan 0.000 0.418 265 N N -0.189 118.508 118.700 -0.005 0.000 2.327 265 N HA 0.290 5.035 4.740 0.007 0.000 0.257 265 N C 0.470 175.975 175.510 -0.009 0.000 1.281 265 N CA -0.319 52.728 53.050 -0.005 0.000 0.942 265 N CB 1.129 39.615 38.487 -0.002 0.000 1.199 265 N HN -0.025 nan 8.380 nan 0.000 0.532 266 D N -1.048 119.346 120.400 -0.010 0.000 2.149 266 D HA -0.063 4.581 4.640 0.007 0.000 0.201 266 D C 1.394 177.686 176.300 -0.013 0.000 0.972 266 D CA 1.267 55.256 54.000 -0.017 0.000 0.835 266 D CB -0.616 40.174 40.800 -0.017 0.000 0.966 266 D HN 0.633 nan 8.370 nan 0.000 0.476 267 T N 0.781 115.333 114.554 -0.002 0.000 2.635 267 T HA -0.201 4.153 4.350 0.007 0.000 0.267 267 T C 1.806 176.510 174.700 0.008 0.000 1.040 267 T CA 1.447 63.551 62.100 0.007 0.000 1.156 267 T CB -0.256 68.619 68.868 0.011 0.000 0.863 267 T HN 0.242 nan 8.240 nan 0.000 0.430 268 E N 0.117 120.319 120.200 0.004 0.000 2.058 268 E HA -0.140 4.214 4.350 0.007 0.000 0.194 268 E C 2.196 178.797 176.600 0.001 0.000 0.997 268 E CA 1.001 57.404 56.400 0.005 0.000 0.801 268 E CB -0.237 29.464 29.700 0.002 0.000 0.746 268 E HN 0.308 nan 8.360 nan 0.000 0.450 269 L N 0.649 121.866 121.223 -0.011 0.000 1.989 269 L HA -0.214 4.130 4.340 0.007 0.000 0.211 269 L C 2.205 179.058 176.870 -0.028 0.000 1.071 269 L CA 1.525 56.351 54.840 -0.024 0.000 0.749 269 L CB -0.174 41.861 42.059 -0.039 0.000 0.890 269 L HN 0.175 nan 8.230 nan 0.000 0.431 270 I N -0.640 119.911 120.570 -0.031 0.000 2.252 270 I HA -0.269 3.905 4.170 0.007 0.000 0.245 270 I C 2.650 178.811 176.117 0.073 0.000 1.102 270 I CA 1.025 62.313 61.300 -0.021 0.000 1.385 270 I CB -0.617 37.370 38.000 -0.022 0.000 1.064 270 I HN 0.347 nan 8.210 nan 0.000 0.414 271 A N -0.127 122.725 122.820 0.053 0.000 1.908 271 A HA -0.318 4.007 4.320 0.007 0.000 0.218 271 A C 2.548 180.168 177.584 0.060 0.000 1.181 271 A CA 2.121 54.194 52.037 0.060 0.000 0.627 271 A CB -1.411 17.612 19.000 0.037 0.000 0.818 271 A HN 0.625 nan 8.150 nan 0.000 0.445 272 c N -0.502 118.122 118.600 0.041 0.000 2.432 272 c HA -0.026 4.548 4.570 0.007 0.000 0.277 272 c C 2.623 176.745 174.090 0.053 0.000 1.249 272 c CA 1.097 57.447 56.329 0.034 0.000 1.725 272 c CB -1.621 40.898 42.510 0.015 0.000 2.028 272 c HN 0.595 nan 8.230 nan 0.000 0.477 273 L N 0.413 121.676 121.223 0.067 0.000 2.081 273 L HA -0.195 4.149 4.340 0.007 0.000 0.212 273 L C 2.981 179.977 176.870 0.210 0.000 1.080 273 L CA 1.814 56.731 54.840 0.129 0.000 0.754 273 L CB -0.727 41.387 42.059 0.093 0.000 0.893 273 L HN 0.387 nan 8.230 nan 0.000 0.433 274 R N -0.534 120.095 120.500 0.216 0.000 2.189 274 R HA -0.121 4.224 4.340 0.007 0.000 0.223 274 R C 2.189 178.514 176.300 0.042 0.000 1.092 274 R CA 1.700 57.866 56.100 0.109 0.000 0.989 274 R CB -0.382 29.974 30.300 0.094 0.000 0.876 274 R HN 0.529 nan 8.270 nan 0.000 0.457 275 T N -1.592 112.990 114.554 0.048 0.000 3.113 275 T HA 0.100 4.454 4.350 0.007 0.000 0.256 275 T C 0.870 175.586 174.700 0.026 0.000 1.131 275 T CA -0.079 62.038 62.100 0.028 0.000 1.074 275 T CB 0.149 69.033 68.868 0.026 0.000 0.944 275 T HN -0.151 nan 8.240 nan 0.000 0.516 276 R N 2.705 123.227 120.500 0.036 0.000 2.441 276 R HA 0.419 4.763 4.340 0.007 0.000 0.284 276 R C -2.739 173.575 176.300 0.023 0.000 1.070 276 R CA -2.716 53.404 56.100 0.034 0.000 1.047 276 R CB 0.057 30.383 30.300 0.044 0.000 1.016 276 R HN 0.249 nan 8.270 nan 0.000 0.477 277 P HA 0.042 nan 4.420 nan 0.000 0.268 277 P C 0.264 177.549 177.300 -0.025 0.000 1.205 277 P CA 0.093 63.189 63.100 -0.008 0.000 0.771 277 P CB 0.628 32.334 31.700 0.010 0.000 0.858 278 A N 2.948 125.690 122.820 -0.129 0.000 1.927 278 A HA -0.303 4.021 4.320 0.007 0.000 0.220 278 A C 2.167 179.666 177.584 -0.141 0.000 1.185 278 A CA 2.125 54.047 52.037 -0.192 0.000 0.639 278 A CB -1.261 17.182 19.000 -0.928 0.000 0.820 278 A HN 0.552 nan 8.150 nan 0.000 0.451 279 Q N -0.224 119.475 119.800 -0.167 0.000 2.167 279 Q HA -0.139 4.205 4.340 0.007 0.000 0.202 279 Q C 1.348 177.438 176.000 0.150 0.000 0.970 279 Q CA 1.818 57.688 55.803 0.112 0.000 0.855 279 Q CB -0.320 28.525 28.738 0.178 0.000 0.911 279 Q HN 0.630 nan 8.270 nan 0.000 0.438 280 D N -0.339 120.133 120.400 0.121 0.000 2.123 280 D HA -0.163 4.481 4.640 0.007 0.000 0.196 280 D C 1.726 178.172 176.300 0.242 0.000 0.992 280 D CA 1.158 55.269 54.000 0.185 0.000 0.833 280 D CB -0.136 40.758 40.800 0.157 0.000 0.954 280 D HN 0.317 nan 8.370 nan 0.000 0.455 281 L N 0.016 121.333 121.223 0.156 0.000 2.027 281 L HA -0.129 4.215 4.340 0.007 0.000 0.206 281 L C 2.542 179.515 176.870 0.172 0.000 1.074 281 L CA 0.619 55.522 54.840 0.104 0.000 0.745 281 L CB -0.589 41.401 42.059 -0.115 0.000 0.898 281 L HN -0.046 nan 8.230 nan 0.000 0.433 282 V N -0.016 120.050 119.914 0.254 0.000 2.343 282 V HA -0.290 3.834 4.120 0.007 0.000 0.247 282 V C 2.050 178.267 176.094 0.205 0.000 1.051 282 V CA 1.937 64.429 62.300 0.320 0.000 1.036 282 V CB -0.584 31.510 31.823 0.452 0.000 0.654 282 V HN 0.417 nan 8.190 nan 0.000 0.451 283 D N -0.853 119.622 120.400 0.125 0.000 2.265 283 D HA -0.151 4.494 4.640 0.007 0.000 0.208 283 D C 1.780 177.873 176.300 -0.344 0.000 0.977 283 D CA 1.450 55.402 54.000 -0.081 0.000 0.871 283 D CB -0.189 40.527 40.800 -0.140 0.000 0.925 283 D HN 0.667 nan 8.370 nan 0.000 0.485 284 H N -1.312 117.760 119.070 0.004 0.000 2.986 284 H HA 0.177 4.737 4.556 0.007 0.000 0.267 284 H C 1.538 176.863 175.328 -0.005 0.000 1.072 284 H CA 0.010 56.005 56.048 -0.087 0.000 1.202 284 H CB 0.575 30.376 29.762 0.066 0.000 1.535 284 H HN 0.051 nan 8.280 nan 0.000 0.522 285 E N 1.033 121.362 120.200 0.215 0.000 2.113 285 E HA -0.292 4.062 4.350 0.007 0.000 0.210 285 E C 1.478 178.279 176.600 0.336 0.000 1.040 285 E CA 1.707 58.328 56.400 0.368 0.000 0.847 285 E CB -0.194 29.733 29.700 0.380 0.000 0.755 285 E HN 0.663 nan 8.360 nan 0.000 0.459 286 W N 0.425 121.679 121.300 -0.078 0.000 2.465 286 W HA -0.106 4.558 4.660 0.006 0.000 0.268 286 W C 1.425 177.964 176.519 0.033 0.000 1.242 286 W CA 1.136 58.426 57.345 -0.091 0.000 1.248 286 W CB -0.049 29.300 29.460 -0.184 0.000 1.118 286 W HN 0.380 nan 8.180 nan 0.000 0.587 287 H N -0.669 118.495 119.070 0.158 0.000 2.559 287 H HA -0.110 4.450 4.556 0.007 0.000 0.273 287 H C 2.079 177.392 175.328 -0.026 0.000 1.000 287 H CA 0.914 57.003 56.048 0.069 0.000 1.195 287 H CB 0.162 30.015 29.762 0.151 0.000 1.368 287 H HN 0.067 nan 8.280 nan 0.000 0.592 288 V N -1.280 118.655 119.914 0.036 0.000 3.649 288 V HA 0.123 4.247 4.120 0.007 0.000 0.275 288 V C 0.633 176.612 176.094 -0.192 0.000 1.281 288 V CA 0.024 62.288 62.300 -0.060 0.000 1.143 288 V CB -0.510 31.280 31.823 -0.054 0.000 0.892 288 V HN 0.128 nan 8.190 nan 0.000 0.441 289 L N 2.324 123.369 121.223 -0.297 0.000 2.453 289 L HA 0.237 4.581 4.340 0.007 0.000 0.272 289 L C -0.411 176.322 176.870 -0.229 0.000 1.182 289 L CA -0.980 53.647 54.840 -0.356 0.000 0.858 289 L CB 0.821 42.535 42.059 -0.575 0.000 1.120 289 L HN 0.163 nan 8.230 nan 0.000 0.474 290 P HA -0.062 nan 4.420 nan 0.000 0.222 290 P C -0.260 176.975 177.300 -0.108 0.000 1.153 290 P CA 0.989 64.012 63.100 -0.128 0.000 0.798 290 P CB 0.472 32.105 31.700 -0.112 0.000 0.796 291 Q N -0.988 118.738 119.800 -0.123 0.000 2.484 291 Q HA 0.339 4.683 4.340 0.007 0.000 0.285 291 Q C -0.573 175.363 176.000 -0.106 0.000 1.097 291 Q CA -0.803 54.944 55.803 -0.093 0.000 0.802 291 Q CB 1.283 29.978 28.738 -0.072 0.000 1.444 291 Q HN -0.039 nan 8.270 nan 0.000 0.429 292 E N 0.962 121.125 120.200 -0.062 0.000 2.480 292 E HA 0.239 4.593 4.350 0.007 0.000 0.258 292 E C -0.969 175.609 176.600 -0.037 0.000 0.984 292 E CA 0.205 56.585 56.400 -0.034 0.000 0.930 292 E CB 0.278 29.980 29.700 0.003 0.000 0.936 292 E HN 0.594 nan 8.360 nan 0.000 0.466 293 S N 3.805 119.486 115.700 -0.032 0.000 2.615 293 S HA 0.655 5.129 4.470 0.007 0.000 0.269 293 S C -0.469 174.147 174.600 0.028 0.000 1.161 293 S CA -1.039 57.140 58.200 -0.034 0.000 0.817 293 S CB 0.793 63.927 63.200 -0.110 0.000 1.131 293 S HN 0.564 nan 8.310 nan 0.000 0.467 294 I N -3.053 117.529 120.570 0.020 0.000 3.002 294 I HA 0.789 4.963 4.170 0.007 0.000 0.310 294 I C -0.274 175.810 176.117 -0.054 0.000 1.087 294 I CA -1.211 60.124 61.300 0.058 0.000 1.017 294 I CB 1.245 39.328 38.000 0.138 0.000 1.226 294 I HN 0.749 nan 8.210 nan 0.000 0.443 295 F N 1.524 121.242 119.950 -0.387 0.000 3.100 295 F HA -0.189 4.342 4.527 0.007 0.000 0.283 295 F C -0.218 175.009 175.800 -0.954 0.000 0.900 295 F CA 0.698 58.197 58.000 -0.835 0.000 1.010 295 F CB -0.650 37.817 39.000 -0.889 0.000 1.029 295 F HN 0.579 nan 8.300 nan 0.000 0.637 296 R N 0.168 120.185 120.500 -0.805 0.000 2.686 296 R HA 0.697 5.042 4.340 0.007 0.000 0.283 296 R C -0.982 174.769 176.300 -0.915 0.000 0.978 296 R CA -0.594 55.072 56.100 -0.723 0.000 0.897 296 R CB 1.442 31.526 30.300 -0.361 0.000 1.192 296 R HN -0.001 nan 8.270 nan 0.000 0.457 297 F N -0.957 119.033 119.950 0.067 0.000 2.565 297 F HA 0.342 4.873 4.527 0.006 0.000 0.313 297 F C 1.396 177.175 175.800 -0.035 0.000 1.091 297 F CA -0.793 57.280 58.000 0.122 0.000 0.915 297 F CB 1.974 41.208 39.000 0.390 0.000 1.208 297 F HN 0.347 nan 8.300 nan 0.000 0.453 298 S N 0.700 116.442 115.700 0.070 0.000 2.371 298 S HA 0.023 4.497 4.470 0.007 0.000 0.224 298 S C -0.018 174.271 174.600 -0.519 0.000 1.029 298 S CA 1.118 59.126 58.200 -0.321 0.000 0.978 298 S CB -0.173 62.850 63.200 -0.296 0.000 0.833 298 S HN 0.361 nan 8.310 nan 0.000 0.466 299 F N 1.614 121.712 119.950 0.246 0.000 2.430 299 F HA 0.516 5.047 4.527 0.007 0.000 0.362 299 F C -0.028 175.863 175.800 0.151 0.000 1.103 299 F CA -0.984 57.154 58.000 0.231 0.000 1.045 299 F CB 1.241 40.420 39.000 0.297 0.000 1.276 299 F HN -0.112 nan 8.300 nan 0.000 0.444 300 V N 0.661 120.598 119.914 0.038 0.000 3.155 300 V HA 0.769 4.894 4.120 0.007 0.000 0.313 300 V C -2.869 172.881 176.094 -0.574 0.000 1.162 300 V CA -3.395 58.597 62.300 -0.513 0.000 1.048 300 V CB 1.982 33.683 31.823 -0.203 0.000 1.092 300 V HN 0.224 nan 8.190 nan 0.000 0.447 301 P HA 0.161 nan 4.420 nan 0.000 0.264 301 P C -0.715 176.464 177.300 -0.202 0.000 1.183 301 P CA 0.519 63.349 63.100 -0.451 0.000 0.763 301 P CB 0.628 31.983 31.700 -0.575 0.000 0.807 302 V N 4.947 124.819 119.914 -0.071 0.000 2.667 302 V HA 0.252 4.376 4.120 0.007 0.000 0.308 302 V C -0.324 175.761 176.094 -0.015 0.000 1.048 302 V CA -0.865 61.416 62.300 -0.031 0.000 0.928 302 V CB 2.146 33.981 31.823 0.020 0.000 1.004 302 V HN 0.118 nan 8.190 nan 0.000 0.444 303 V N 7.070 126.975 119.914 -0.015 0.000 2.341 303 V HA 0.169 4.294 4.120 0.007 0.000 0.248 303 V C 0.776 176.883 176.094 0.021 0.000 1.107 303 V CA 0.257 62.560 62.300 0.004 0.000 1.069 303 V CB 0.089 31.905 31.823 -0.011 0.000 1.177 303 V HN 1.067 nan 8.190 nan 0.000 0.492 304 D N 2.616 123.044 120.400 0.047 0.000 2.348 304 D HA 0.087 4.731 4.640 0.007 0.000 0.211 304 D C 1.615 177.943 176.300 0.047 0.000 0.998 304 D CA 0.753 54.784 54.000 0.051 0.000 0.873 304 D CB 0.155 41.000 40.800 0.075 0.000 0.925 304 D HN 0.666 nan 8.370 nan 0.000 0.524 305 G N 0.562 109.390 108.800 0.046 0.000 2.153 305 G HA2 -0.320 3.644 3.960 0.007 0.000 0.252 305 G HA3 -0.320 3.644 3.960 0.007 0.000 0.252 305 G C 0.344 175.270 174.900 0.043 0.000 0.994 305 G CA 0.793 45.914 45.100 0.036 0.000 0.698 305 G HN 0.553 nan 8.290 nan 0.000 0.521 306 D N -1.758 118.685 120.400 0.071 0.000 2.973 306 D HA 0.231 4.875 4.640 0.007 0.000 0.187 306 D C 1.697 178.055 176.300 0.097 0.000 1.467 306 D CA 0.338 54.384 54.000 0.077 0.000 1.515 306 D CB -0.659 40.197 40.800 0.094 0.000 1.182 306 D HN 0.054 nan 8.370 nan 0.000 0.213 307 F N 1.202 121.168 119.950 0.026 0.000 2.091 307 F HA 0.138 4.669 4.527 0.006 0.000 0.299 307 F C 0.622 176.431 175.800 0.015 0.000 1.103 307 F CA 1.282 59.298 58.000 0.027 0.000 1.228 307 F CB 0.136 39.152 39.000 0.027 0.000 0.984 307 F HN -0.001 nan 8.300 nan 0.000 0.477 308 L N 0.665 122.058 121.223 0.284 0.000 2.295 308 L HA 0.193 4.538 4.340 0.007 0.000 0.281 308 L C 1.289 178.207 176.870 0.080 0.000 1.018 308 L CA -0.184 54.752 54.840 0.160 0.000 0.841 308 L CB 1.429 43.570 42.059 0.137 0.000 1.218 308 L HN 0.062 nan 8.230 nan 0.000 0.424 309 S N 0.394 116.122 115.700 0.046 0.000 2.461 309 S HA 0.026 4.501 4.470 0.007 0.000 0.228 309 S C 0.424 175.036 174.600 0.020 0.000 1.005 309 S CA 0.329 58.544 58.200 0.025 0.000 0.942 309 S CB 0.186 63.390 63.200 0.007 0.000 0.776 309 S HN 0.692 nan 8.310 nan 0.000 0.514 310 D N 0.349 120.762 120.400 0.022 0.000 2.692 310 D HA 0.296 4.940 4.640 0.007 0.000 0.303 310 D C -0.885 175.422 176.300 0.011 0.000 1.278 310 D CA -0.037 53.971 54.000 0.013 0.000 0.852 310 D CB 1.525 42.330 40.800 0.008 0.000 1.375 310 D HN 0.209 nan 8.370 nan 0.000 0.453 311 T N -0.734 113.818 114.554 -0.003 0.000 2.937 311 T HA 0.190 4.544 4.350 0.007 0.000 0.316 311 T C -1.809 172.884 174.700 -0.012 0.000 1.079 311 T CA -0.601 61.489 62.100 -0.018 0.000 1.131 311 T CB 0.944 69.794 68.868 -0.030 0.000 1.000 311 T HN 0.109 nan 8.240 nan 0.000 0.549 312 P HA -0.095 nan 4.420 nan 0.000 0.216 312 P C 1.414 178.704 177.300 -0.017 0.000 1.150 312 P CA 1.061 64.147 63.100 -0.024 0.000 0.843 312 P CB 0.061 31.718 31.700 -0.072 0.000 0.787 313 E N -0.387 119.791 120.200 -0.036 0.000 2.070 313 E HA -0.199 4.155 4.350 0.007 0.000 0.197 313 E C 2.143 178.746 176.600 0.005 0.000 1.004 313 E CA 1.843 58.228 56.400 -0.025 0.000 0.805 313 E CB -1.176 28.501 29.700 -0.038 0.000 0.744 313 E HN 0.149 nan 8.360 nan 0.000 0.451 314 A N 0.248 123.071 122.820 0.005 0.000 1.930 314 A HA -0.121 4.203 4.320 0.007 0.000 0.217 314 A C 2.174 179.782 177.584 0.039 0.000 1.175 314 A CA 1.125 53.172 52.037 0.016 0.000 0.627 314 A CB -0.555 18.449 19.000 0.006 0.000 0.815 314 A HN 0.201 nan 8.150 nan 0.000 0.443 315 L N -0.113 121.142 121.223 0.054 0.000 2.156 315 L HA -0.087 4.257 4.340 0.007 0.000 0.208 315 L C 2.517 179.505 176.870 0.197 0.000 1.095 315 L CA 1.272 56.169 54.840 0.096 0.000 0.770 315 L CB -0.581 41.537 42.059 0.098 0.000 0.914 315 L HN 0.662 nan 8.230 nan 0.000 0.439 316 I N -2.904 117.770 120.570 0.173 0.000 2.617 316 I HA -0.102 4.072 4.170 0.007 0.000 0.256 316 I C 1.857 178.103 176.117 0.216 0.000 1.167 316 I CA 1.160 62.597 61.300 0.229 0.000 1.469 316 I CB -0.396 37.636 38.000 0.053 0.000 1.098 316 I HN 0.148 nan 8.210 nan 0.000 0.436 317 N N 1.273 120.044 118.700 0.119 0.000 2.396 317 N HA -0.093 4.651 4.740 0.007 0.000 0.180 317 N C 1.810 177.366 175.510 0.077 0.000 1.028 317 N CA 1.957 55.059 53.050 0.086 0.000 0.893 317 N CB -0.200 38.315 38.487 0.047 0.000 0.967 317 N HN 0.710 nan 8.380 nan 0.000 0.440 318 T N -4.098 110.496 114.554 0.066 0.000 2.958 318 T HA 0.258 4.612 4.350 0.007 0.000 0.256 318 T C 1.081 175.741 174.700 -0.066 0.000 0.983 318 T CA -0.118 61.986 62.100 0.007 0.000 0.924 318 T CB -0.119 68.745 68.868 -0.007 0.000 1.136 318 T HN 0.038 nan 8.240 nan 0.000 0.506 319 G N 1.467 110.210 108.800 -0.095 0.000 2.562 319 G HA2 0.329 4.293 3.960 0.007 0.000 0.233 319 G HA3 0.329 4.293 3.960 0.007 0.000 0.233 319 G C -0.815 173.644 174.900 -0.734 0.000 1.266 319 G CA -0.157 44.636 45.100 -0.511 0.000 0.852 319 G HN 0.413 nan 8.290 nan 0.000 0.581 320 D N 0.080 119.997 120.400 -0.805 0.000 2.349 320 D HA 0.407 5.051 4.640 0.007 0.000 0.232 320 D C -0.478 175.432 176.300 -0.650 0.000 1.071 320 D CA -0.716 52.969 54.000 -0.525 0.000 0.832 320 D CB 0.612 41.253 40.800 -0.266 0.000 1.086 320 D HN 0.104 nan 8.370 nan 0.000 0.504 321 F N 2.194 122.154 119.950 0.016 0.000 2.881 321 F HA 0.261 4.793 4.527 0.007 0.000 0.343 321 F C 1.851 177.666 175.800 0.025 0.000 1.233 321 F CA -0.399 57.616 58.000 0.025 0.000 1.262 321 F CB 0.342 39.364 39.000 0.037 0.000 0.980 321 F HN 0.376 nan 8.300 nan 0.000 0.506 322 Q N 0.647 120.513 119.800 0.109 0.000 2.084 322 Q HA -0.172 4.172 4.340 0.007 0.000 0.202 322 Q C 1.348 177.398 176.000 0.084 0.000 0.978 322 Q CA 1.700 57.551 55.803 0.081 0.000 0.844 322 Q CB -0.051 28.707 28.738 0.034 0.000 0.898 322 Q HN 0.436 nan 8.270 nan 0.000 0.426 323 D N -0.277 120.170 120.400 0.078 0.000 2.325 323 D HA 0.006 4.651 4.640 0.007 0.000 0.234 323 D C -0.231 176.136 176.300 0.111 0.000 1.122 323 D CA -0.003 54.043 54.000 0.077 0.000 0.850 323 D CB -0.101 40.725 40.800 0.043 0.000 0.921 323 D HN 0.025 nan 8.370 nan 0.000 0.513 324 L N 0.362 121.668 121.223 0.137 0.000 2.341 324 L HA 0.423 4.767 4.340 0.007 0.000 0.278 324 L C -1.090 175.867 176.870 0.144 0.000 1.005 324 L CA -0.377 54.558 54.840 0.160 0.000 0.818 324 L CB 1.933 44.121 42.059 0.215 0.000 1.259 324 L HN -0.129 nan 8.230 nan 0.000 0.418 325 Q N 4.596 124.495 119.800 0.165 0.000 2.325 325 Q HA 0.697 5.041 4.340 0.007 0.000 0.270 325 Q C -1.360 174.906 176.000 0.443 0.000 1.020 325 Q CA -0.785 55.161 55.803 0.239 0.000 0.785 325 Q CB 2.601 31.405 28.738 0.110 0.000 1.259 325 Q HN 0.558 nan 8.270 nan 0.000 0.452 326 V N 0.372 120.506 119.914 0.367 0.000 2.638 326 V HA 0.667 4.791 4.120 0.007 0.000 0.306 326 V C -1.100 174.923 176.094 -0.119 0.000 1.052 326 V CA -1.077 61.336 62.300 0.189 0.000 0.885 326 V CB 1.623 33.474 31.823 0.048 0.000 0.999 326 V HN 0.680 nan 8.190 nan 0.000 0.424 327 L N 6.003 126.925 121.223 -0.502 0.000 2.282 327 L HA 0.869 5.214 4.340 0.007 0.000 0.288 327 L C -0.139 176.606 176.870 -0.210 0.000 1.033 327 L CA -0.171 54.309 54.840 -0.600 0.000 0.807 327 L CB 1.485 42.787 42.059 -1.262 0.000 1.209 327 L HN 0.944 nan 8.230 nan 0.000 0.423 328 V N 2.057 121.915 119.914 -0.093 0.000 3.040 328 V HA 1.127 5.251 4.120 0.007 0.000 0.312 328 V C -0.226 175.661 176.094 -0.346 0.000 1.115 328 V CA 0.195 62.428 62.300 -0.111 0.000 0.998 328 V CB 1.313 33.042 31.823 -0.157 0.000 1.042 328 V HN 0.992 nan 8.190 nan 0.000 0.433 329 G N 0.515 108.976 108.800 -0.566 0.000 2.342 329 G HA2 0.719 4.683 3.960 0.007 0.000 0.297 329 G HA3 0.719 4.683 3.960 0.007 0.000 0.297 329 G C -1.208 173.372 174.900 -0.533 0.000 1.313 329 G CA 0.161 44.536 45.100 -1.208 0.000 0.830 329 G HN 2.139 nan 8.290 nan 0.000 0.506 330 V N -2.416 117.321 119.914 -0.295 0.000 3.159 330 V HA 0.919 5.043 4.120 0.007 0.000 0.308 330 V C 0.225 176.527 176.094 0.347 0.000 1.190 330 V CA -0.388 61.977 62.300 0.107 0.000 1.037 330 V CB 1.176 33.035 31.823 0.059 0.000 1.060 330 V HN 1.973 nan 8.190 nan 0.000 0.437 331 V N -0.113 120.021 119.914 0.367 0.000 2.973 331 V HA 0.557 4.681 4.120 0.007 0.000 0.314 331 V C 1.432 177.727 176.094 0.335 0.000 1.066 331 V CA 0.026 62.584 62.300 0.430 0.000 1.021 331 V CB 1.207 33.271 31.823 0.401 0.000 1.076 331 V HN 1.100 nan 8.190 nan 0.000 0.462 332 K N 0.116 120.711 120.400 0.325 0.000 2.152 332 K HA -0.092 4.232 4.320 0.007 0.000 0.206 332 K C 0.291 177.023 176.600 0.221 0.000 1.048 332 K CA 1.910 58.343 56.287 0.243 0.000 0.933 332 K CB 0.076 32.699 32.500 0.205 0.000 0.721 332 K HN 0.918 nan 8.250 nan 0.000 0.447 333 D N 0.918 121.457 120.400 0.232 0.000 2.513 333 D HA 0.032 4.676 4.640 0.007 0.000 0.295 333 D C 0.024 176.465 176.300 0.236 0.000 1.202 333 D CA -0.098 54.029 54.000 0.211 0.000 0.849 333 D CB 1.360 42.265 40.800 0.175 0.000 1.116 333 D HN 0.127 nan 8.370 nan 0.000 0.502 334 E N 0.547 120.899 120.200 0.254 0.000 2.153 334 E HA -0.107 4.247 4.350 0.007 0.000 0.194 334 E C 1.926 178.726 176.600 0.333 0.000 0.988 334 E CA 0.707 57.295 56.400 0.313 0.000 0.811 334 E CB 0.209 30.061 29.700 0.253 0.000 0.746 334 E HN 0.442 nan 8.360 nan 0.000 0.466 335 G N 0.940 109.896 108.800 0.260 0.000 2.744 335 G HA2 -0.136 3.828 3.960 0.007 0.000 0.211 335 G HA3 -0.136 3.828 3.960 0.007 0.000 0.211 335 G C 1.708 176.781 174.900 0.290 0.000 1.146 335 G CA 0.726 45.998 45.100 0.287 0.000 0.787 335 G HN 0.348 nan 8.290 nan 0.000 0.534 336 S N 1.712 117.536 115.700 0.206 0.000 2.353 336 S HA -0.045 4.429 4.470 0.007 0.000 0.222 336 S C 2.561 177.179 174.600 0.030 0.000 1.035 336 S CA 1.610 59.908 58.200 0.164 0.000 1.025 336 S CB -0.712 62.540 63.200 0.087 0.000 0.902 336 S HN 0.535 nan 8.310 nan 0.000 0.440 337 A N 0.141 122.861 122.820 -0.167 0.000 2.172 337 A HA 0.248 4.572 4.320 0.007 0.000 0.216 337 A C 1.732 179.171 177.584 -0.243 0.000 1.154 337 A CA 0.729 52.511 52.037 -0.426 0.000 0.701 337 A CB -0.983 17.533 19.000 -0.807 0.000 0.789 337 A HN 0.572 nan 8.150 nan 0.000 0.465 338 F N -0.297 119.640 119.950 -0.022 0.000 2.456 338 F HA 0.043 4.574 4.527 0.006 0.000 0.298 338 F C 1.866 177.735 175.800 0.115 0.000 1.104 338 F CA 0.668 58.691 58.000 0.038 0.000 1.435 338 F CB -0.172 38.798 39.000 -0.049 0.000 1.078 338 F HN 0.125 nan 8.300 nan 0.000 0.546 339 L N -0.159 121.178 121.223 0.189 0.000 2.201 339 L HA -0.130 4.214 4.340 0.007 0.000 0.212 339 L C 2.292 179.241 176.870 0.131 0.000 1.105 339 L CA 0.875 55.709 54.840 -0.011 0.000 0.775 339 L CB -0.733 41.096 42.059 -0.384 0.000 0.913 339 L HN 0.147 nan 8.230 nan 0.000 0.440 340 V N -4.998 115.060 119.914 0.240 0.000 3.573 340 V HA -0.130 3.994 4.120 0.007 0.000 0.270 340 V C 1.016 177.085 176.094 -0.042 0.000 1.221 340 V CA 0.592 63.011 62.300 0.198 0.000 1.163 340 V CB -1.130 30.853 31.823 0.268 0.000 0.847 340 V HN 0.286 nan 8.190 nan 0.000 0.468 341 Y N 1.835 122.229 120.300 0.156 0.000 2.811 341 Y HA 0.681 5.235 4.550 0.007 0.000 0.330 341 Y C 1.558 177.535 175.900 0.128 0.000 1.081 341 Y CA 0.251 58.421 58.100 0.117 0.000 1.408 341 Y CB 0.524 39.040 38.460 0.093 0.000 1.235 341 Y HN 0.393 nan 8.280 nan 0.000 0.529 342 G N -1.259 107.663 108.800 0.204 0.000 2.902 342 G HA2 -0.142 3.822 3.960 0.007 0.000 0.215 342 G HA3 -0.142 3.822 3.960 0.007 0.000 0.215 342 G C -0.640 174.354 174.900 0.157 0.000 0.976 342 G CA -0.529 44.678 45.100 0.179 0.000 0.794 342 G HN 0.008 nan 8.290 nan 0.000 0.557 343 V N 2.811 122.827 119.914 0.169 0.000 2.408 343 V HA 0.411 4.535 4.120 0.007 0.000 0.267 343 V C -1.756 174.525 176.094 0.313 0.000 1.047 343 V CA -1.479 60.944 62.300 0.204 0.000 0.937 343 V CB 1.098 32.990 31.823 0.115 0.000 0.999 343 V HN 0.094 nan 8.190 nan 0.000 0.472 344 P HA 0.297 nan 4.420 nan 0.000 0.268 344 P C 0.996 178.405 177.300 0.182 0.000 1.204 344 P CA 1.081 64.285 63.100 0.173 0.000 0.768 344 P CB 0.801 32.566 31.700 0.107 0.000 0.842 345 G N 1.065 109.909 108.800 0.074 0.000 2.213 345 G HA2 -0.207 3.757 3.960 0.007 0.000 0.226 345 G HA3 -0.207 3.757 3.960 0.007 0.000 0.226 345 G C -0.205 174.513 174.900 -0.303 0.000 0.992 345 G CA -0.584 44.436 45.100 -0.133 0.000 0.632 345 G HN 0.397 nan 8.290 nan 0.000 0.511 346 F N 1.603 121.578 119.950 0.042 0.000 2.421 346 F HA 0.795 5.326 4.527 0.007 0.000 0.337 346 F C 0.599 176.498 175.800 0.165 0.000 1.105 346 F CA -0.099 57.950 58.000 0.081 0.000 1.049 346 F CB 2.238 41.330 39.000 0.152 0.000 1.139 346 F HN 0.154 nan 8.300 nan 0.000 0.479 347 S N 1.612 117.547 115.700 0.392 0.000 2.579 347 S HA 0.310 4.784 4.470 0.007 0.000 0.272 347 S C 0.278 175.181 174.600 0.505 0.000 1.141 347 S CA -0.839 57.590 58.200 0.382 0.000 0.843 347 S CB 1.502 64.830 63.200 0.214 0.000 1.122 347 S HN 0.772 nan 8.310 nan 0.000 0.468 348 K N 0.926 121.524 120.400 0.330 0.000 2.365 348 K HA 0.160 4.484 4.320 0.007 0.000 0.197 348 K C 0.016 176.634 176.600 0.029 0.000 1.042 348 K CA 0.917 57.284 56.287 0.134 0.000 0.987 348 K CB -0.079 32.226 32.500 -0.326 0.000 0.779 348 K HN 0.437 nan 8.250 nan 0.000 0.484 349 D N 1.055 121.470 120.400 0.024 0.000 2.339 349 D HA 0.007 4.651 4.640 0.007 0.000 0.217 349 D C -0.221 176.113 176.300 0.057 0.000 1.050 349 D CA 0.294 54.284 54.000 -0.016 0.000 0.856 349 D CB 0.121 40.893 40.800 -0.046 0.000 0.922 349 D HN 0.484 nan 8.370 nan 0.000 0.518 350 N N -0.944 117.834 118.700 0.130 0.000 3.102 350 N HA 0.112 4.856 4.740 0.007 0.000 0.299 350 N C 0.460 176.052 175.510 0.136 0.000 1.482 350 N CA -0.494 52.610 53.050 0.091 0.000 0.785 350 N CB 0.875 39.370 38.487 0.012 0.000 1.680 350 N HN -0.444 nan 8.380 nan 0.000 0.594 351 E N -0.514 119.676 120.200 -0.017 0.000 2.427 351 E HA 0.042 4.396 4.350 0.007 0.000 0.196 351 E C -0.334 175.908 176.600 -0.597 0.000 1.028 351 E CA 0.361 56.666 56.400 -0.158 0.000 0.864 351 E CB -0.607 29.034 29.700 -0.098 0.000 0.813 351 E HN 0.594 nan 8.360 nan 0.000 0.514 352 S N -0.030 115.371 115.700 -0.498 0.000 3.587 352 S HA -0.198 4.276 4.470 0.007 0.000 0.337 352 S C 0.335 174.508 174.600 -0.712 0.000 1.119 352 S CA 0.170 57.944 58.200 -0.709 0.000 0.976 352 S CB -1.937 60.640 63.200 -1.039 0.000 0.922 352 S HN 0.290 nan 8.310 nan 0.000 0.503 353 L N 1.693 122.645 121.223 -0.453 0.000 2.477 353 L HA 0.342 4.686 4.340 0.007 0.000 0.272 353 L C 0.755 177.427 176.870 -0.330 0.000 1.157 353 L CA 0.148 54.784 54.840 -0.341 0.000 0.889 353 L CB -0.067 41.857 42.059 -0.224 0.000 1.158 353 L HN 0.428 nan 8.230 nan 0.000 0.473 354 I N 0.147 120.529 120.570 -0.312 0.000 2.863 354 I HA 0.667 4.841 4.170 0.007 0.000 0.311 354 I C 0.453 176.501 176.117 -0.115 0.000 1.026 354 I CA -0.673 60.478 61.300 -0.248 0.000 1.077 354 I CB 1.968 39.797 38.000 -0.284 0.000 1.262 354 I HN 0.551 nan 8.210 nan 0.000 0.461 355 S N 2.133 117.797 115.700 -0.059 0.000 2.652 355 S HA 0.387 4.862 4.470 0.007 0.000 0.270 355 S C 0.960 175.589 174.600 0.049 0.000 1.243 355 S CA -0.512 57.680 58.200 -0.014 0.000 0.999 355 S CB 1.620 64.817 63.200 -0.006 0.000 0.973 355 S HN 0.889 nan 8.310 nan 0.000 0.544 356 R N 0.695 121.226 120.500 0.052 0.000 2.091 356 R HA -0.129 4.215 4.340 0.007 0.000 0.238 356 R C 2.328 178.723 176.300 0.157 0.000 1.136 356 R CA 1.733 57.902 56.100 0.115 0.000 0.959 356 R CB -1.149 29.192 30.300 0.068 0.000 0.856 356 R HN 0.851 nan 8.270 nan 0.000 0.437 357 A N 0.597 123.474 122.820 0.095 0.000 1.908 357 A HA -0.233 4.091 4.320 0.007 0.000 0.218 357 A C 2.047 179.686 177.584 0.091 0.000 1.181 357 A CA 1.666 53.751 52.037 0.080 0.000 0.627 357 A CB -0.504 18.526 19.000 0.050 0.000 0.818 357 A HN 0.549 nan 8.150 nan 0.000 0.445 358 Q N -1.911 117.948 119.800 0.099 0.000 2.167 358 Q HA -0.102 4.242 4.340 0.007 0.000 0.202 358 Q C 1.880 178.001 176.000 0.201 0.000 0.970 358 Q CA 1.366 57.238 55.803 0.115 0.000 0.855 358 Q CB -0.289 28.487 28.738 0.063 0.000 0.911 358 Q HN 0.797 nan 8.270 nan 0.000 0.438 359 F N 1.390 121.383 119.950 0.071 0.000 2.075 359 F HA -0.222 4.309 4.527 0.007 0.000 0.297 359 F C 1.802 177.646 175.800 0.074 0.000 1.113 359 F CA 1.185 59.239 58.000 0.090 0.000 1.218 359 F CB 0.021 39.057 39.000 0.060 0.000 0.984 359 F HN -0.046 nan 8.300 nan 0.000 0.472 360 L N 0.178 121.352 121.223 -0.081 0.000 2.079 360 L HA -0.222 4.122 4.340 0.007 0.000 0.210 360 L C 2.828 179.625 176.870 -0.123 0.000 1.081 360 L CA 1.147 55.884 54.840 -0.173 0.000 0.752 360 L CB -1.470 40.575 42.059 -0.023 0.000 0.896 360 L HN 0.281 nan 8.230 nan 0.000 0.433 361 A N 0.637 123.437 122.820 -0.033 0.000 1.898 361 A HA -0.086 4.238 4.320 0.007 0.000 0.216 361 A C 2.448 180.024 177.584 -0.014 0.000 1.181 361 A CA 1.621 53.655 52.037 -0.006 0.000 0.620 361 A CB -1.189 17.832 19.000 0.035 0.000 0.819 361 A HN 0.429 nan 8.150 nan 0.000 0.442 362 G N -0.350 108.451 108.800 0.001 0.000 2.446 362 G HA2 -0.164 3.800 3.960 0.007 0.000 0.217 362 G HA3 -0.164 3.800 3.960 0.007 0.000 0.217 362 G C 1.529 176.376 174.900 -0.090 0.000 1.168 362 G CA 1.309 46.415 45.100 0.010 0.000 0.771 362 G HN 0.313 nan 8.290 nan 0.000 0.551 363 V N 1.162 120.938 119.914 -0.229 0.000 2.287 363 V HA -0.202 3.922 4.120 0.007 0.000 0.248 363 V C 3.035 179.060 176.094 -0.114 0.000 1.053 363 V CA 1.996 64.159 62.300 -0.228 0.000 1.027 363 V CB -0.437 31.164 31.823 -0.370 0.000 0.646 363 V HN 0.238 nan 8.190 nan 0.000 0.447 364 R N -0.190 120.256 120.500 -0.090 0.000 2.127 364 R HA -0.061 4.283 4.340 0.007 0.000 0.238 364 R C 2.017 178.295 176.300 -0.037 0.000 1.134 364 R CA 1.528 57.597 56.100 -0.051 0.000 0.975 364 R CB -0.938 29.340 30.300 -0.036 0.000 0.865 364 R HN 0.510 nan 8.270 nan 0.000 0.447 365 I N -0.648 119.905 120.570 -0.029 0.000 2.480 365 I HA -0.049 4.125 4.170 0.007 0.000 0.251 365 I C 2.272 178.380 176.117 -0.015 0.000 1.124 365 I CA 1.255 62.549 61.300 -0.010 0.000 1.444 365 I CB -0.463 37.548 38.000 0.019 0.000 1.098 365 I HN 0.181 nan 8.210 nan 0.000 0.428 366 G N 0.434 109.217 108.800 -0.029 0.000 2.484 366 G HA2 -0.017 3.947 3.960 0.007 0.000 0.218 366 G HA3 -0.017 3.947 3.960 0.007 0.000 0.218 366 G C 0.782 175.660 174.900 -0.036 0.000 1.130 366 G CA 0.409 45.491 45.100 -0.029 0.000 0.784 366 G HN 0.237 nan 8.290 nan 0.000 0.543 367 V N 1.667 121.543 119.914 -0.063 0.000 2.384 367 V HA 0.238 4.362 4.120 0.007 0.000 0.257 367 V C -1.887 174.178 176.094 -0.048 0.000 0.969 367 V CA -1.053 61.181 62.300 -0.111 0.000 0.910 367 V CB 1.829 33.577 31.823 -0.126 0.000 1.150 367 V HN 0.044 nan 8.190 nan 0.000 0.481 368 P HA 0.011 nan 4.420 nan 0.000 0.245 368 P C 0.757 178.041 177.300 -0.027 0.000 1.212 368 P CA 0.495 63.577 63.100 -0.030 0.000 0.774 368 P CB 0.492 32.166 31.700 -0.043 0.000 0.999 369 Q N 0.191 119.983 119.800 -0.013 0.000 2.250 369 Q HA 0.355 4.700 4.340 0.007 0.000 0.200 369 Q C 0.681 176.668 176.000 -0.021 0.000 0.941 369 Q CA 0.939 56.735 55.803 -0.011 0.000 0.872 369 Q CB 0.061 28.810 28.738 0.018 0.000 0.965 369 Q HN 0.154 nan 8.270 nan 0.000 0.480 370 A N 0.645 123.450 122.820 -0.024 0.000 1.742 370 A HA 0.188 4.513 4.320 0.007 0.000 0.234 370 A C 0.037 177.606 177.584 -0.024 0.000 2.809 370 A CA -0.057 51.966 52.037 -0.024 0.000 2.167 370 A CB -1.317 17.668 19.000 -0.026 0.000 0.268 370 A HN 0.233 nan 8.150 nan 0.000 0.981 371 S N 0.200 115.884 115.700 -0.027 0.000 2.617 371 S HA 0.386 4.860 4.470 0.007 0.000 0.255 371 S C 0.815 175.408 174.600 -0.012 0.000 1.318 371 S CA 0.757 58.943 58.200 -0.023 0.000 0.978 371 S CB 0.461 63.643 63.200 -0.029 0.000 0.961 371 S HN 0.448 nan 8.310 nan 0.000 0.582 372 D N 0.106 120.502 120.400 -0.006 0.000 2.097 372 D HA -0.067 4.577 4.640 0.007 0.000 0.195 372 D C 1.779 178.090 176.300 0.018 0.000 0.989 372 D CA 0.984 54.987 54.000 0.005 0.000 0.827 372 D CB -0.530 40.274 40.800 0.006 0.000 0.966 372 D HN 0.393 nan 8.370 nan 0.000 0.456 373 L N 0.823 122.055 121.223 0.015 0.000 2.017 373 L HA -0.098 4.246 4.340 0.007 0.000 0.208 373 L C 2.119 179.016 176.870 0.045 0.000 1.073 373 L CA 1.816 56.675 54.840 0.031 0.000 0.745 373 L CB -0.909 41.160 42.059 0.016 0.000 0.894 373 L HN 0.004 nan 8.230 nan 0.000 0.432 374 A N -0.791 122.037 122.820 0.014 0.000 1.902 374 A HA -0.119 4.205 4.320 0.007 0.000 0.217 374 A C 2.418 180.035 177.584 0.054 0.000 1.181 374 A CA 1.850 53.893 52.037 0.010 0.000 0.623 374 A CB -1.111 17.864 19.000 -0.042 0.000 0.818 374 A HN 0.548 nan 8.150 nan 0.000 0.443 375 A N -0.769 122.071 122.820 0.034 0.000 1.930 375 A HA -0.082 4.242 4.320 0.007 0.000 0.217 375 A C 1.966 179.586 177.584 0.059 0.000 1.175 375 A CA 1.981 54.035 52.037 0.029 0.000 0.627 375 A CB -0.375 18.622 19.000 -0.004 0.000 0.815 375 A HN 0.444 nan 8.150 nan 0.000 0.443 376 E N 0.275 120.521 120.200 0.076 0.000 2.106 376 E HA -0.007 4.347 4.350 0.007 0.000 0.192 376 E C 2.085 178.778 176.600 0.155 0.000 0.984 376 E CA 1.259 57.723 56.400 0.107 0.000 0.806 376 E CB -0.489 29.268 29.700 0.095 0.000 0.750 376 E HN 0.467 nan 8.360 nan 0.000 0.458 377 A N -0.010 122.919 122.820 0.182 0.000 1.908 377 A HA -0.163 4.162 4.320 0.007 0.000 0.218 377 A C 2.493 180.195 177.584 0.197 0.000 1.181 377 A CA 1.700 53.894 52.037 0.262 0.000 0.627 377 A CB -0.771 18.486 19.000 0.429 0.000 0.818 377 A HN 0.182 nan 8.150 nan 0.000 0.445 378 V N -0.582 119.455 119.914 0.206 0.000 2.295 378 V HA -0.224 3.900 4.120 0.007 0.000 0.246 378 V C 2.564 178.811 176.094 0.256 0.000 1.049 378 V CA 1.986 64.372 62.300 0.144 0.000 1.024 378 V CB -0.724 31.180 31.823 0.134 0.000 0.648 378 V HN 0.371 nan 8.190 nan 0.000 0.447 379 V N -0.171 119.860 119.914 0.196 0.000 2.343 379 V HA -0.227 3.898 4.120 0.007 0.000 0.247 379 V C 2.262 178.566 176.094 0.351 0.000 1.051 379 V CA 1.893 64.359 62.300 0.276 0.000 1.036 379 V CB -0.446 31.472 31.823 0.157 0.000 0.654 379 V HN 0.448 nan 8.190 nan 0.000 0.451 380 L N -0.752 120.670 121.223 0.331 0.000 2.093 380 L HA -0.187 4.157 4.340 0.007 0.000 0.208 380 L C 2.531 179.622 176.870 0.367 0.000 1.085 380 L CA 2.008 57.133 54.840 0.477 0.000 0.755 380 L CB -0.861 41.407 42.059 0.348 0.000 0.904 380 L HN 0.434 nan 8.230 nan 0.000 0.435 381 H N -0.667 118.409 119.070 0.010 0.000 2.387 381 H HA -0.182 4.377 4.556 0.006 0.000 0.299 381 H C 1.710 176.901 175.328 -0.227 0.000 1.090 381 H CA 1.854 57.752 56.048 -0.251 0.000 1.332 381 H CB 0.084 29.367 29.762 -0.798 0.000 1.386 381 H HN 0.240 nan 8.280 nan 0.000 0.516 382 Y N -0.321 120.033 120.300 0.089 0.000 2.482 382 Y HA 0.147 4.702 4.550 0.008 0.000 0.270 382 Y C 0.685 176.525 175.900 -0.100 0.000 1.152 382 Y CA 0.180 58.329 58.100 0.081 0.000 1.292 382 Y CB 0.380 39.026 38.460 0.311 0.000 1.070 382 Y HN 0.020 nan 8.280 nan 0.000 0.528 383 T N 1.371 115.863 114.554 -0.103 0.000 2.870 383 T HA -0.042 4.312 4.350 0.007 0.000 0.300 383 T C -0.246 174.063 174.700 -0.651 0.000 0.989 383 T CA -0.305 61.458 62.100 -0.563 0.000 1.139 383 T CB 0.319 68.471 68.868 -1.193 0.000 0.920 383 T HN 0.061 nan 8.240 nan 0.000 0.537 384 D N 2.271 122.334 120.400 -0.561 0.000 2.393 384 D HA 0.077 4.721 4.640 0.007 0.000 0.232 384 D C 0.144 176.163 176.300 -0.469 0.000 1.192 384 D CA -0.694 53.038 54.000 -0.447 0.000 0.882 384 D CB 0.260 40.776 40.800 -0.474 0.000 1.038 384 D HN 0.601 nan 8.370 nan 0.000 0.499 385 W N 3.220 124.429 121.300 -0.152 0.000 2.721 385 W HA 0.026 4.689 4.660 0.005 0.000 0.245 385 W C 2.019 178.436 176.519 -0.170 0.000 1.276 385 W CA -0.252 57.017 57.345 -0.128 0.000 1.342 385 W CB 0.007 29.405 29.460 -0.104 0.000 1.135 385 W HN 0.425 nan 8.180 nan 0.000 0.654 386 L N -1.098 120.043 121.223 -0.138 0.000 2.131 386 L HA -0.077 4.268 4.340 0.007 0.000 0.206 386 L C 0.241 176.797 176.870 -0.524 0.000 1.087 386 L CA 1.293 55.907 54.840 -0.377 0.000 0.767 386 L CB -0.200 41.508 42.059 -0.584 0.000 0.917 386 L HN 0.065 nan 8.230 nan 0.000 0.441 387 H N -1.568 117.431 119.070 -0.118 0.000 2.511 387 H HA 0.149 4.709 4.556 0.006 0.000 0.228 387 H C -1.828 173.405 175.328 -0.158 0.000 1.424 387 H CA -1.182 54.806 56.048 -0.101 0.000 1.321 387 H CB 0.355 30.078 29.762 -0.066 0.000 1.720 387 H HN 0.020 nan 8.280 nan 0.000 0.512 388 P HA -0.148 nan 4.420 nan 0.000 0.228 388 P C 0.662 177.878 177.300 -0.139 0.000 1.151 388 P CA 1.144 64.106 63.100 -0.231 0.000 0.770 388 P CB 0.648 32.222 31.700 -0.209 0.000 0.786 389 E N -0.447 119.725 120.200 -0.046 0.000 2.511 389 E HA 0.042 4.396 4.350 0.007 0.000 0.209 389 E C 0.001 176.588 176.600 -0.022 0.000 0.986 389 E CA -0.085 56.298 56.400 -0.028 0.000 0.974 389 E CB -0.094 29.605 29.700 -0.001 0.000 1.030 389 E HN 0.314 nan 8.360 nan 0.000 0.490 390 D N 2.332 122.737 120.400 0.009 0.000 2.412 390 D HA -0.014 4.630 4.640 0.007 0.000 0.257 390 D C -1.621 174.660 176.300 -0.032 0.000 1.217 390 D CA -1.357 52.654 54.000 0.018 0.000 0.897 390 D CB 1.368 42.255 40.800 0.144 0.000 1.132 390 D HN -0.169 nan 8.370 nan 0.000 0.493 391 P HA -0.090 nan 4.420 nan 0.000 0.219 391 P C 1.064 178.281 177.300 -0.137 0.000 1.150 391 P CA 0.852 63.886 63.100 -0.111 0.000 0.814 391 P CB 0.240 31.867 31.700 -0.121 0.000 0.787 392 T N -1.428 113.034 114.554 -0.153 0.000 2.737 392 T HA -0.152 4.202 4.350 0.007 0.000 0.265 392 T C 1.636 176.239 174.700 -0.162 0.000 1.038 392 T CA 1.236 63.225 62.100 -0.185 0.000 1.144 392 T CB -0.950 67.777 68.868 -0.235 0.000 0.866 392 T HN 0.220 nan 8.240 nan 0.000 0.434 393 H N 1.050 120.064 119.070 -0.094 0.000 2.321 393 H HA 0.055 4.614 4.556 0.006 0.000 0.300 393 H C 2.398 177.630 175.328 -0.161 0.000 1.087 393 H CA 1.087 57.077 56.048 -0.097 0.000 1.319 393 H CB -0.587 29.113 29.762 -0.104 0.000 1.379 393 H HN 0.283 nan 8.280 nan 0.000 0.501 394 L N 0.333 121.492 121.223 -0.106 0.000 2.012 394 L HA -0.192 4.152 4.340 0.007 0.000 0.210 394 L C 2.943 179.763 176.870 -0.083 0.000 1.073 394 L CA 1.213 55.880 54.840 -0.287 0.000 0.748 394 L CB -0.385 41.533 42.059 -0.234 0.000 0.891 394 L HN 0.162 nan 8.230 nan 0.000 0.431 395 R N 0.516 121.006 120.500 -0.018 0.000 2.080 395 R HA -0.209 4.135 4.340 0.007 0.000 0.236 395 R C 1.747 178.167 176.300 0.199 0.000 1.137 395 R CA 2.382 58.542 56.100 0.099 0.000 0.943 395 R CB -0.478 29.743 30.300 -0.131 0.000 0.846 395 R HN 0.360 nan 8.270 nan 0.000 0.431 396 D N 0.179 120.654 120.400 0.124 0.000 2.178 396 D HA -0.073 4.571 4.640 0.007 0.000 0.202 396 D C 1.721 178.137 176.300 0.195 0.000 0.974 396 D CA 1.325 55.434 54.000 0.181 0.000 0.841 396 D CB -0.208 40.682 40.800 0.149 0.000 0.953 396 D HN 0.396 nan 8.370 nan 0.000 0.478 397 A N 0.696 123.595 122.820 0.133 0.000 1.898 397 A HA -0.136 4.188 4.320 0.007 0.000 0.216 397 A C 2.142 179.875 177.584 0.249 0.000 1.181 397 A CA 1.376 53.521 52.037 0.180 0.000 0.620 397 A CB -0.472 18.505 19.000 -0.039 0.000 0.819 397 A HN 0.133 nan 8.150 nan 0.000 0.442 398 M N -0.004 119.796 119.600 0.333 0.000 2.108 398 M HA -0.116 4.368 4.480 0.007 0.000 0.261 398 M C 2.291 178.674 176.300 0.139 0.000 1.066 398 M CA 2.149 57.660 55.300 0.351 0.000 1.107 398 M CB -0.547 32.303 32.600 0.416 0.000 1.356 398 M HN 0.405 nan 8.290 nan 0.000 0.406 399 S N -0.458 115.344 115.700 0.169 0.000 2.356 399 S HA -0.078 4.396 4.470 0.007 0.000 0.223 399 S C 2.051 176.741 174.600 0.149 0.000 1.032 399 S CA 1.512 59.814 58.200 0.170 0.000 1.005 399 S CB -0.619 62.745 63.200 0.274 0.000 0.867 399 S HN 0.633 nan 8.310 nan 0.000 0.449 400 A N 0.847 123.776 122.820 0.182 0.000 1.933 400 A HA -0.010 4.314 4.320 0.007 0.000 0.218 400 A C 2.345 179.987 177.584 0.096 0.000 1.175 400 A CA 1.771 53.937 52.037 0.215 0.000 0.628 400 A CB -1.096 18.130 19.000 0.375 0.000 0.814 400 A HN 0.457 nan 8.150 nan 0.000 0.444 401 V N -0.487 119.347 119.914 -0.134 0.000 2.287 401 V HA -0.251 3.873 4.120 0.007 0.000 0.248 401 V C 2.567 178.582 176.094 -0.132 0.000 1.053 401 V CA 2.163 64.289 62.300 -0.290 0.000 1.027 401 V CB -0.699 30.943 31.823 -0.301 0.000 0.646 401 V HN 0.387 nan 8.190 nan 0.000 0.447 402 V N 0.507 120.378 119.914 -0.072 0.000 2.379 402 V HA -0.105 4.019 4.120 0.007 0.000 0.245 402 V C 2.572 178.581 176.094 -0.141 0.000 1.044 402 V CA 1.995 64.243 62.300 -0.087 0.000 1.036 402 V CB -1.172 30.646 31.823 -0.008 0.000 0.664 402 V HN 0.610 nan 8.190 nan 0.000 0.453 403 G N -0.325 108.454 108.800 -0.034 0.000 2.421 403 G HA2 -0.235 3.729 3.960 0.007 0.000 0.216 403 G HA3 -0.235 3.729 3.960 0.007 0.000 0.216 403 G C 1.236 176.076 174.900 -0.100 0.000 1.171 403 G CA 1.002 46.092 45.100 -0.016 0.000 0.775 403 G HN 0.486 nan 8.290 nan 0.000 0.543 404 D N -0.351 120.003 120.400 -0.077 0.000 2.117 404 D HA -0.079 4.565 4.640 0.007 0.000 0.198 404 D C 2.088 178.078 176.300 -0.516 0.000 0.982 404 D CA 1.191 55.108 54.000 -0.139 0.000 0.828 404 D CB -0.367 40.513 40.800 0.134 0.000 0.967 404 D HN 0.442 nan 8.370 nan 0.000 0.464 405 H N 0.446 118.974 119.070 -0.904 0.000 2.395 405 H HA 0.074 4.634 4.556 0.006 0.000 0.299 405 H C 1.410 176.337 175.328 -0.670 0.000 1.070 405 H CA 1.453 56.767 56.048 -1.225 0.000 1.356 405 H CB 0.167 29.154 29.762 -1.292 0.000 1.401 405 H HN -0.021 nan 8.280 nan 0.000 0.524 406 N N -0.874 117.400 118.700 -0.711 0.000 2.415 406 N HA 0.029 4.773 4.740 0.007 0.000 0.174 406 N C 1.096 176.378 175.510 -0.380 0.000 1.048 406 N CA 0.998 53.587 53.050 -0.769 0.000 0.895 406 N CB 1.215 38.746 38.487 -1.593 0.000 1.036 406 N HN 0.261 nan 8.380 nan 0.000 0.449 407 V N -0.415 119.326 119.914 -0.288 0.000 3.278 407 V HA 0.073 4.197 4.120 0.007 0.000 0.215 407 V C 2.170 178.223 176.094 -0.068 0.000 1.287 407 V CA 0.189 62.449 62.300 -0.066 0.000 1.302 407 V CB -0.156 31.703 31.823 0.060 0.000 1.228 407 V HN -0.186 nan 8.190 nan 0.000 0.523 408 V N 0.174 120.050 119.914 -0.063 0.000 2.287 408 V HA -0.309 3.815 4.120 0.007 0.000 0.248 408 V C 2.492 178.547 176.094 -0.064 0.000 1.053 408 V CA 2.682 64.958 62.300 -0.041 0.000 1.027 408 V CB -0.738 31.090 31.823 0.009 0.000 0.646 408 V HN 0.681 nan 8.190 nan 0.000 0.447 409 c N -0.694 117.856 118.600 -0.083 0.000 2.475 409 c HA 0.036 4.611 4.570 0.007 0.000 0.279 409 c C 0.492 174.541 174.090 -0.069 0.000 1.322 409 c CA 0.698 57.005 56.329 -0.037 0.000 1.734 409 c CB -1.693 40.830 42.510 0.022 0.000 2.005 409 c HN 0.458 nan 8.230 nan 0.000 0.495 410 P HA -0.059 nan 4.420 nan 0.000 0.218 410 P C 1.732 178.960 177.300 -0.120 0.000 1.149 410 P CA 1.288 64.303 63.100 -0.142 0.000 0.817 410 P CB -0.125 31.451 31.700 -0.207 0.000 0.785 411 V N 0.083 119.931 119.914 -0.111 0.000 2.358 411 V HA -0.232 3.892 4.120 0.007 0.000 0.246 411 V C 2.442 178.436 176.094 -0.166 0.000 1.047 411 V CA 2.157 64.379 62.300 -0.131 0.000 1.035 411 V CB -1.651 30.097 31.823 -0.125 0.000 0.658 411 V HN 0.091 nan 8.190 nan 0.000 0.452 412 A N -0.361 122.378 122.820 -0.135 0.000 1.883 412 A HA -0.359 3.965 4.320 0.007 0.000 0.217 412 A C 2.217 179.760 177.584 -0.069 0.000 1.186 412 A CA 2.466 54.434 52.037 -0.115 0.000 0.624 412 A CB -0.636 18.349 19.000 -0.025 0.000 0.822 412 A HN 0.602 nan 8.150 nan 0.000 0.444 413 Q N -0.909 118.866 119.800 -0.042 0.000 2.061 413 Q HA -0.184 4.160 4.340 0.007 0.000 0.204 413 Q C 1.926 177.897 176.000 -0.047 0.000 0.984 413 Q CA 1.909 57.699 55.803 -0.021 0.000 0.846 413 Q CB -0.372 28.352 28.738 -0.024 0.000 0.902 413 Q HN 0.523 nan 8.270 nan 0.000 0.421 414 L N 0.314 121.480 121.223 -0.095 0.000 2.012 414 L HA -0.125 4.219 4.340 0.007 0.000 0.210 414 L C 2.227 179.016 176.870 -0.135 0.000 1.073 414 L CA 2.355 57.122 54.840 -0.122 0.000 0.748 414 L CB -1.068 40.906 42.059 -0.142 0.000 0.891 414 L HN 0.319 nan 8.230 nan 0.000 0.431 415 A N -0.632 122.069 122.820 -0.199 0.000 1.883 415 A HA -0.115 4.209 4.320 0.007 0.000 0.217 415 A C 2.350 179.930 177.584 -0.007 0.000 1.186 415 A CA 1.762 53.630 52.037 -0.281 0.000 0.624 415 A CB -1.667 16.857 19.000 -0.792 0.000 0.822 415 A HN 0.547 nan 8.150 nan 0.000 0.444 416 G N -0.804 108.061 108.800 0.108 0.000 2.446 416 G HA2 -0.230 3.734 3.960 0.007 0.000 0.217 416 G HA3 -0.230 3.734 3.960 0.007 0.000 0.217 416 G C 1.740 176.717 174.900 0.127 0.000 1.168 416 G CA 0.871 46.115 45.100 0.240 0.000 0.771 416 G HN 0.377 nan 8.290 nan 0.000 0.551 417 R N 0.161 120.698 120.500 0.062 0.000 2.066 417 R HA 0.102 4.446 4.340 0.007 0.000 0.232 417 R C 2.739 179.081 176.300 0.070 0.000 1.131 417 R CA 0.639 56.777 56.100 0.064 0.000 0.955 417 R CB -1.155 29.170 30.300 0.043 0.000 0.851 417 R HN 0.402 nan 8.270 nan 0.000 0.432 418 L N 0.211 121.419 121.223 -0.025 0.000 2.012 418 L HA -0.179 4.165 4.340 0.007 0.000 0.210 418 L C 2.580 179.488 176.870 0.064 0.000 1.073 418 L CA 1.638 56.436 54.840 -0.070 0.000 0.748 418 L CB -0.731 41.201 42.059 -0.211 0.000 0.891 418 L HN 0.172 nan 8.230 nan 0.000 0.431 419 A N -0.138 122.735 122.820 0.089 0.000 1.969 419 A HA -0.068 4.256 4.320 0.007 0.000 0.218 419 A C 2.487 180.127 177.584 0.093 0.000 1.169 419 A CA 1.459 53.560 52.037 0.108 0.000 0.635 419 A CB -0.544 18.561 19.000 0.176 0.000 0.810 419 A HN 0.406 nan 8.150 nan 0.000 0.445 420 A N -1.104 121.776 122.820 0.100 0.000 2.067 420 A HA -0.073 4.252 4.320 0.007 0.000 0.219 420 A C 1.729 179.371 177.584 0.096 0.000 1.158 420 A CA 1.424 53.512 52.037 0.084 0.000 0.661 420 A CB -0.228 18.820 19.000 0.081 0.000 0.801 420 A HN 0.581 nan 8.150 nan 0.000 0.452 421 Q N -1.771 118.116 119.800 0.144 0.000 2.206 421 Q HA 0.408 4.752 4.340 0.007 0.000 0.265 421 Q C 0.779 176.886 176.000 0.177 0.000 0.866 421 Q CA 0.402 56.308 55.803 0.171 0.000 1.073 421 Q CB 0.633 29.523 28.738 0.253 0.000 1.165 421 Q HN 0.734 nan 8.270 nan 0.000 0.465 422 G N -0.300 108.578 108.800 0.130 0.000 2.213 422 G HA2 -0.259 3.705 3.960 0.007 0.000 0.226 422 G HA3 -0.259 3.705 3.960 0.007 0.000 0.226 422 G C 0.338 175.305 174.900 0.112 0.000 0.992 422 G CA -0.250 44.913 45.100 0.106 0.000 0.632 422 G HN 0.543 nan 8.290 nan 0.000 0.511 423 A N 0.414 123.316 122.820 0.137 0.000 2.407 423 A HA 0.676 5.001 4.320 0.007 0.000 0.248 423 A C 0.707 178.321 177.584 0.050 0.000 1.082 423 A CA 0.388 52.488 52.037 0.106 0.000 0.785 423 A CB 0.312 19.357 19.000 0.076 0.000 1.020 423 A HN 0.626 nan 8.150 nan 0.000 0.489 424 R N 1.669 122.192 120.500 0.039 0.000 2.234 424 R HA 0.481 4.825 4.340 0.007 0.000 0.324 424 R C -1.466 174.797 176.300 -0.061 0.000 1.054 424 R CA -0.096 55.984 56.100 -0.033 0.000 0.912 424 R CB 0.372 30.681 30.300 0.015 0.000 1.030 424 R HN 0.485 nan 8.270 nan 0.000 0.455 425 V N 5.842 125.646 119.914 -0.183 0.000 2.588 425 V HA 0.382 4.506 4.120 0.007 0.000 0.304 425 V C -1.158 174.744 176.094 -0.319 0.000 1.042 425 V CA -0.835 61.383 62.300 -0.136 0.000 0.877 425 V CB 1.615 33.431 31.823 -0.012 0.000 0.996 425 V HN 0.651 nan 8.190 nan 0.000 0.425 426 Y N 2.215 122.457 120.300 -0.097 0.000 2.393 426 Y HA 0.806 5.359 4.550 0.005 0.000 0.341 426 Y C 0.351 176.317 175.900 0.110 0.000 0.988 426 Y CA -0.543 57.501 58.100 -0.093 0.000 1.078 426 Y CB 2.232 40.268 38.460 -0.706 0.000 1.203 426 Y HN 0.771 nan 8.280 nan 0.000 0.453 427 A N 3.154 126.343 122.820 0.615 0.000 2.401 427 A HA 0.848 5.172 4.320 0.007 0.000 0.310 427 A C -1.895 176.056 177.584 0.611 0.000 1.075 427 A CA -0.709 51.563 52.037 0.393 0.000 0.746 427 A CB 1.000 20.056 19.000 0.094 0.000 1.277 427 A HN 0.744 nan 8.150 nan 0.000 0.425 428 Y N -0.410 120.131 120.300 0.400 0.000 2.588 428 Y HA 0.791 5.344 4.550 0.005 0.000 0.343 428 Y C -1.161 174.926 175.900 0.312 0.000 1.065 428 Y CA -1.620 56.670 58.100 0.316 0.000 1.038 428 Y CB 1.353 39.993 38.460 0.300 0.000 1.297 428 Y HN 0.694 nan 8.280 nan 0.000 0.467 429 I N 3.624 124.513 120.570 0.532 0.000 2.436 429 I HA 0.452 4.626 4.170 0.007 0.000 0.289 429 I C -1.766 174.697 176.117 0.576 0.000 1.010 429 I CA -1.005 60.576 61.300 0.469 0.000 1.098 429 I CB 0.926 39.142 38.000 0.360 0.000 1.266 429 I HN 0.741 nan 8.210 nan 0.000 0.434 430 F N 7.404 127.663 119.950 0.514 0.000 2.411 430 F HA 0.374 4.906 4.527 0.008 0.000 0.355 430 F C 0.588 176.550 175.800 0.271 0.000 1.117 430 F CA 0.083 58.313 58.000 0.383 0.000 1.139 430 F CB 0.839 40.080 39.000 0.401 0.000 1.120 430 F HN 0.543 nan 8.300 nan 0.000 0.493 431 E N 3.183 123.321 120.200 -0.104 0.000 2.660 431 E HA -0.008 4.346 4.350 0.007 0.000 0.216 431 E C -0.790 175.736 176.600 -0.122 0.000 0.986 431 E CA -0.174 56.218 56.400 -0.014 0.000 1.037 431 E CB 0.301 30.000 29.700 -0.003 0.000 1.041 431 E HN 0.554 nan 8.360 nan 0.000 0.480 432 H N 1.420 120.208 119.070 -0.471 0.000 2.517 432 H HA 0.261 4.820 4.556 0.006 0.000 0.317 432 H C -0.425 174.914 175.328 0.018 0.000 1.080 432 H CA -0.548 55.283 56.048 -0.361 0.000 1.301 432 H CB 0.664 29.976 29.762 -0.751 0.000 1.425 432 H HN -0.153 nan 8.280 nan 0.000 0.471 433 R N 4.185 124.319 120.500 -0.610 0.000 2.216 433 R HA 0.444 4.789 4.340 0.007 0.000 0.332 433 R C -0.529 175.534 176.300 -0.395 0.000 1.056 433 R CA -0.566 55.354 56.100 -0.300 0.000 0.901 433 R CB 0.283 30.485 30.300 -0.164 0.000 1.039 433 R HN 0.840 nan 8.270 nan 0.000 0.456 434 A N 3.242 126.166 122.820 0.173 0.000 2.566 434 A HA -0.040 4.284 4.320 0.007 0.000 0.245 434 A C 1.397 179.085 177.584 0.173 0.000 1.056 434 A CA 0.682 53.007 52.037 0.479 0.000 0.757 434 A CB 0.195 19.528 19.000 0.555 0.000 0.979 434 A HN 1.028 nan 8.150 nan 0.000 0.508 435 S N 1.751 117.579 115.700 0.213 0.000 2.440 435 S HA -0.181 4.293 4.470 0.007 0.000 0.238 435 S C 1.313 175.886 174.600 -0.046 0.000 1.010 435 S CA 1.739 59.977 58.200 0.064 0.000 0.972 435 S CB -0.789 62.465 63.200 0.091 0.000 0.774 435 S HN 1.335 nan 8.310 nan 0.000 0.501 436 T N -1.370 113.116 114.554 -0.113 0.000 3.086 436 T HA 0.389 4.744 4.350 0.007 0.000 0.250 436 T C 0.340 174.945 174.700 -0.157 0.000 1.074 436 T CA -0.618 61.353 62.100 -0.214 0.000 0.988 436 T CB -0.335 68.264 68.868 -0.449 0.000 0.988 436 T HN 0.199 nan 8.240 nan 0.000 0.530 437 L N 3.973 125.141 121.223 -0.092 0.000 2.485 437 L HA 0.306 4.650 4.340 0.007 0.000 0.275 437 L C 1.488 178.276 176.870 -0.137 0.000 1.207 437 L CA 0.884 55.654 54.840 -0.118 0.000 0.855 437 L CB 0.962 42.959 42.059 -0.103 0.000 1.114 437 L HN 0.476 nan 8.230 nan 0.000 0.485 438 T N -1.362 113.067 114.554 -0.208 0.000 2.985 438 T HA 0.125 4.479 4.350 0.007 0.000 0.254 438 T C 0.344 174.997 174.700 -0.079 0.000 1.021 438 T CA -0.499 61.487 62.100 -0.190 0.000 0.957 438 T CB -0.342 68.303 68.868 -0.371 0.000 1.047 438 T HN 0.364 nan 8.240 nan 0.000 0.511 439 W N 3.842 125.139 121.300 -0.005 0.000 2.148 439 W HA 0.347 5.011 4.660 0.008 0.000 0.347 439 W C -1.910 174.506 176.519 -0.171 0.000 1.288 439 W CA -1.836 55.480 57.345 -0.047 0.000 1.252 439 W CB 0.087 29.438 29.460 -0.181 0.000 1.156 439 W HN 0.023 nan 8.180 nan 0.000 0.580 440 P HA -0.024 nan 4.420 nan 0.000 0.272 440 P C 0.563 177.778 177.300 -0.141 0.000 1.240 440 P CA 0.030 63.069 63.100 -0.102 0.000 0.791 440 P CB 0.823 32.437 31.700 -0.143 0.000 0.978 441 L N 0.124 121.330 121.223 -0.028 0.000 2.127 441 L HA -0.132 4.212 4.340 0.007 0.000 0.211 441 L C 2.500 179.402 176.870 0.054 0.000 1.089 441 L CA 1.368 56.216 54.840 0.014 0.000 0.757 441 L CB -0.766 41.329 42.059 0.061 0.000 0.899 441 L HN 0.609 nan 8.230 nan 0.000 0.434 442 W N -1.158 120.186 121.300 0.073 0.000 2.465 442 W HA -0.131 4.532 4.660 0.006 0.000 0.268 442 W C 1.694 178.272 176.519 0.100 0.000 1.242 442 W CA 0.374 57.766 57.345 0.078 0.000 1.248 442 W CB -0.750 28.758 29.460 0.080 0.000 1.118 442 W HN 0.160 nan 8.180 nan 0.000 0.587 443 M N 1.410 120.736 119.600 -0.456 0.000 2.619 443 M HA 0.100 4.584 4.480 0.007 0.000 0.251 443 M C 1.895 178.139 176.300 -0.094 0.000 1.106 443 M CA 1.484 56.524 55.300 -0.433 0.000 1.086 443 M CB -0.636 31.550 32.600 -0.690 0.000 1.465 443 M HN 0.221 nan 8.290 nan 0.000 0.506 444 G N 0.660 109.449 108.800 -0.017 0.000 2.602 444 G HA2 -0.305 3.659 3.960 0.007 0.000 0.310 444 G HA3 -0.305 3.659 3.960 0.007 0.000 0.310 444 G C -0.015 174.907 174.900 0.038 0.000 1.183 444 G CA 0.066 45.190 45.100 0.041 0.000 0.979 444 G HN 0.263 nan 8.290 nan 0.000 0.545 445 V N 3.721 123.698 119.914 0.105 0.000 2.257 445 V HA 0.471 4.595 4.120 0.007 0.000 0.269 445 V C -1.893 174.330 176.094 0.214 0.000 1.040 445 V CA -0.855 61.553 62.300 0.180 0.000 0.813 445 V CB 1.260 33.245 31.823 0.270 0.000 1.065 445 V HN 0.499 nan 8.190 nan 0.000 0.457 446 P HA 0.160 nan 4.420 nan 0.000 0.274 446 P C -0.184 177.327 177.300 0.352 0.000 1.246 446 P CA -0.479 62.729 63.100 0.179 0.000 0.795 446 P CB 0.364 32.036 31.700 -0.047 0.000 1.006 447 H N 0.629 119.797 119.070 0.162 0.000 3.216 447 H HA 0.216 4.775 4.556 0.006 0.000 0.283 447 H C 1.527 176.861 175.328 0.009 0.000 0.921 447 H CA 2.385 58.510 56.048 0.128 0.000 1.419 447 H CB -0.866 28.987 29.762 0.151 0.000 1.460 447 H HN 0.731 nan 8.280 nan 0.000 0.553 448 G N 3.568 112.224 108.800 -0.240 0.000 2.218 448 G HA2 -0.281 3.683 3.960 0.007 0.000 0.216 448 G HA3 -0.281 3.683 3.960 0.007 0.000 0.216 448 G C 0.516 175.288 174.900 -0.214 0.000 0.994 448 G CA 0.207 45.079 45.100 -0.380 0.000 0.637 448 G HN 0.621 nan 8.290 nan 0.000 0.505 449 Y N 1.650 122.050 120.300 0.168 0.000 2.495 449 Y HA 0.265 4.819 4.550 0.006 0.000 0.293 449 Y C 2.250 178.263 175.900 0.188 0.000 1.186 449 Y CA 0.809 59.060 58.100 0.251 0.000 1.266 449 Y CB 0.472 39.110 38.460 0.296 0.000 1.101 449 Y HN 0.479 nan 8.280 nan 0.000 0.517 450 E N 0.072 120.234 120.200 -0.063 0.000 2.364 450 E HA -0.041 4.313 4.350 0.007 0.000 0.196 450 E C 1.581 178.086 176.600 -0.158 0.000 0.990 450 E CA 0.591 56.630 56.400 -0.601 0.000 0.886 450 E CB -0.395 28.527 29.700 -1.296 0.000 0.866 450 E HN 0.539 nan 8.360 nan 0.000 0.493 451 I N 2.928 123.494 120.570 -0.007 0.000 2.163 451 I HA -0.295 3.880 4.170 0.007 0.000 0.243 451 I C 2.459 178.594 176.117 0.030 0.000 1.085 451 I CA 1.959 63.303 61.300 0.072 0.000 1.347 451 I CB -0.504 37.612 38.000 0.193 0.000 1.044 451 I HN 0.087 nan 8.210 nan 0.000 0.408 452 E N 1.111 121.278 120.200 -0.055 0.000 2.267 452 E HA -0.226 4.128 4.350 0.007 0.000 0.197 452 E C 1.975 178.340 176.600 -0.392 0.000 0.998 452 E CA 1.634 57.890 56.400 -0.240 0.000 0.830 452 E CB -0.704 28.838 29.700 -0.264 0.000 0.751 452 E HN 0.516 nan 8.360 nan 0.000 0.491 453 F N 0.883 120.730 119.950 -0.172 0.000 2.317 453 F HA 0.028 4.561 4.527 0.010 0.000 0.293 453 F C 2.356 177.926 175.800 -0.383 0.000 1.085 453 F CA 0.268 58.109 58.000 -0.265 0.000 1.390 453 F CB -0.139 38.788 39.000 -0.121 0.000 1.077 453 F HN -0.099 nan 8.300 nan 0.000 0.517 454 I N -0.542 119.873 120.570 -0.258 0.000 2.226 454 I HA -0.284 3.890 4.170 0.007 0.000 0.245 454 I C 2.109 177.985 176.117 -0.403 0.000 1.100 454 I CA 1.717 62.697 61.300 -0.534 0.000 1.374 454 I CB -1.511 36.066 38.000 -0.704 0.000 1.057 454 I HN 0.084 nan 8.210 nan 0.000 0.413 455 F N 0.938 120.703 119.950 -0.307 0.000 2.661 455 F HA 0.178 4.710 4.527 0.007 0.000 0.298 455 F C 1.910 177.554 175.800 -0.261 0.000 1.137 455 F CA 0.947 58.803 58.000 -0.240 0.000 1.454 455 F CB -0.324 38.522 39.000 -0.257 0.000 1.103 455 F HN 0.312 nan 8.300 nan 0.000 0.577 456 G N -0.171 108.459 108.800 -0.283 0.000 2.132 456 G HA2 -0.285 3.680 3.960 0.007 0.000 0.228 456 G HA3 -0.285 3.680 3.960 0.007 0.000 0.228 456 G C 0.956 175.225 174.900 -1.052 0.000 1.000 456 G CA 0.273 45.073 45.100 -0.499 0.000 0.693 456 G HN 0.272 nan 8.290 nan 0.000 0.515 457 L N 0.554 121.203 121.223 -0.958 0.000 2.043 457 L HA -0.009 4.335 4.340 0.007 0.000 0.212 457 L C 0.505 176.799 176.870 -0.960 0.000 1.075 457 L CA 2.928 57.150 54.840 -1.030 0.000 0.752 457 L CB -1.088 40.621 42.059 -0.583 0.000 0.891 457 L HN 0.219 nan 8.230 nan 0.000 0.432 458 P HA -0.166 nan 4.420 nan 0.000 0.222 458 P C 1.586 178.629 177.300 -0.428 0.000 1.142 458 P CA 0.929 63.426 63.100 -1.005 0.000 0.788 458 P CB 0.023 31.157 31.700 -0.943 0.000 0.767 459 L N -1.353 119.581 121.223 -0.481 0.000 2.376 459 L HA -0.033 4.311 4.340 0.007 0.000 0.219 459 L C 0.963 177.778 176.870 -0.093 0.000 1.133 459 L CA 1.163 55.857 54.840 -0.243 0.000 0.816 459 L CB -1.037 40.903 42.059 -0.197 0.000 0.933 459 L HN -0.042 nan 8.230 nan 0.000 0.449 460 D N -0.050 120.272 120.400 -0.130 0.000 2.339 460 D HA 0.092 4.736 4.640 0.007 0.000 0.241 460 D C -1.643 174.679 176.300 0.038 0.000 1.183 460 D CA -2.013 52.019 54.000 0.053 0.000 0.859 460 D CB 1.599 42.469 40.800 0.116 0.000 1.067 460 D HN -0.019 nan 8.370 nan 0.000 0.484 461 P HA -0.120 nan 4.420 nan 0.000 0.220 461 P C 1.248 178.567 177.300 0.031 0.000 1.148 461 P CA 0.771 63.892 63.100 0.035 0.000 0.803 461 P CB 0.073 31.788 31.700 0.026 0.000 0.782 462 S N -0.986 114.731 115.700 0.028 0.000 2.515 462 S HA -0.028 4.446 4.470 0.007 0.000 0.231 462 S C 1.656 176.254 174.600 -0.003 0.000 0.987 462 S CA 0.587 58.792 58.200 0.009 0.000 0.936 462 S CB -1.392 61.812 63.200 0.006 0.000 0.766 462 S HN 0.113 nan 8.310 nan 0.000 0.528 463 L N 0.502 121.740 121.223 0.026 0.000 2.558 463 L HA 0.218 4.562 4.340 0.007 0.000 0.225 463 L C 0.388 177.205 176.870 -0.089 0.000 1.128 463 L CA 0.023 54.864 54.840 0.003 0.000 0.868 463 L CB -0.641 41.489 42.059 0.119 0.000 1.006 463 L HN 0.226 nan 8.230 nan 0.000 0.454 464 N N -2.178 116.507 118.700 -0.024 0.000 2.901 464 N HA -0.213 4.531 4.740 0.007 0.000 0.248 464 N C -0.378 175.073 175.510 -0.099 0.000 1.044 464 N CA 0.721 53.728 53.050 -0.072 0.000 0.847 464 N CB -1.827 36.587 38.487 -0.122 0.000 1.127 464 N HN 0.276 nan 8.380 nan 0.000 0.562 465 Y N 1.217 121.497 120.300 -0.034 0.000 2.426 465 Y HA 0.129 4.683 4.550 0.007 0.000 0.344 465 Y C 1.982 177.898 175.900 0.027 0.000 1.256 465 Y CA 0.462 58.565 58.100 0.006 0.000 1.451 465 Y CB 0.389 38.836 38.460 -0.022 0.000 1.342 465 Y HN 0.095 nan 8.280 nan 0.000 0.600 466 T N -2.347 112.342 114.554 0.227 0.000 2.860 466 T HA 0.023 4.377 4.350 0.007 0.000 0.299 466 T C 1.194 175.971 174.700 0.127 0.000 1.045 466 T CA -0.276 61.909 62.100 0.141 0.000 1.071 466 T CB 0.883 69.828 68.868 0.127 0.000 0.985 466 T HN 0.750 nan 8.240 nan 0.000 0.537 467 T N 1.785 116.385 114.554 0.077 0.000 2.699 467 T HA -0.141 4.213 4.350 0.007 0.000 0.268 467 T C 1.775 176.508 174.700 0.056 0.000 1.036 467 T CA 2.135 64.268 62.100 0.055 0.000 1.147 467 T CB -0.470 68.419 68.868 0.035 0.000 0.862 467 T HN 0.799 nan 8.240 nan 0.000 0.446 468 E N 1.098 121.329 120.200 0.052 0.000 2.077 468 E HA -0.101 4.254 4.350 0.007 0.000 0.193 468 E C 2.250 178.889 176.600 0.065 0.000 0.989 468 E CA 1.035 57.453 56.400 0.029 0.000 0.800 468 E CB -0.213 29.478 29.700 -0.014 0.000 0.746 468 E HN 0.581 nan 8.360 nan 0.000 0.452 469 E N 0.378 120.655 120.200 0.128 0.000 2.110 469 E HA -0.188 4.167 4.350 0.007 0.000 0.193 469 E C 2.150 178.877 176.600 0.211 0.000 0.988 469 E CA 0.680 57.249 56.400 0.281 0.000 0.804 469 E CB -0.068 29.924 29.700 0.486 0.000 0.745 469 E HN 0.109 nan 8.360 nan 0.000 0.458 470 R N 0.795 121.352 120.500 0.095 0.000 2.073 470 R HA -0.150 4.194 4.340 0.007 0.000 0.234 470 R C 2.254 178.558 176.300 0.007 0.000 1.134 470 R CA 1.233 57.333 56.100 0.001 0.000 0.952 470 R CB -0.203 30.097 30.300 -0.000 0.000 0.850 470 R HN 0.147 nan 8.270 nan 0.000 0.433 471 I N 0.250 120.845 120.570 0.042 0.000 2.315 471 I HA -0.264 3.910 4.170 0.007 0.000 0.248 471 I C 2.164 178.319 176.117 0.064 0.000 1.117 471 I CA 0.897 62.217 61.300 0.033 0.000 1.404 471 I CB -0.321 37.699 38.000 0.034 0.000 1.071 471 I HN 0.163 nan 8.210 nan 0.000 0.419 472 F N 1.931 121.838 119.950 -0.072 0.000 2.075 472 F HA -0.246 4.285 4.527 0.006 0.000 0.297 472 F C 2.459 178.231 175.800 -0.046 0.000 1.113 472 F CA 1.400 59.342 58.000 -0.096 0.000 1.218 472 F CB -0.745 38.140 39.000 -0.191 0.000 0.984 472 F HN 0.029 nan 8.300 nan 0.000 0.472 473 A N -0.067 122.674 122.820 -0.133 0.000 1.940 473 A HA -0.246 4.079 4.320 0.007 0.000 0.219 473 A C 2.156 179.596 177.584 -0.240 0.000 1.176 473 A CA 1.877 53.776 52.037 -0.231 0.000 0.631 473 A CB -0.867 18.025 19.000 -0.180 0.000 0.814 473 A HN 0.639 nan 8.150 nan 0.000 0.446 474 Q N -0.939 118.763 119.800 -0.164 0.000 2.046 474 Q HA -0.149 4.195 4.340 0.007 0.000 0.200 474 Q C 2.401 178.285 176.000 -0.193 0.000 0.975 474 Q CA 1.411 57.127 55.803 -0.145 0.000 0.836 474 Q CB -0.179 28.505 28.738 -0.089 0.000 0.896 474 Q HN 0.621 nan 8.270 nan 0.000 0.428 475 R N 0.367 120.736 120.500 -0.218 0.000 2.094 475 R HA -0.179 4.165 4.340 0.007 0.000 0.239 475 R C 2.319 178.304 176.300 -0.524 0.000 1.137 475 R CA 1.463 57.345 56.100 -0.363 0.000 0.943 475 R CB -0.398 29.763 30.300 -0.232 0.000 0.850 475 R HN 0.251 nan 8.270 nan 0.000 0.433 476 L N -0.126 120.874 121.223 -0.372 0.000 2.017 476 L HA -0.211 4.133 4.340 0.007 0.000 0.208 476 L C 2.566 179.362 176.870 -0.123 0.000 1.073 476 L CA 1.411 56.126 54.840 -0.209 0.000 0.745 476 L CB -0.319 41.476 42.059 -0.440 0.000 0.894 476 L HN 0.276 nan 8.230 nan 0.000 0.432 477 M N -0.632 118.844 119.600 -0.207 0.000 2.213 477 M HA -0.222 4.262 4.480 0.007 0.000 0.263 477 M C 2.275 178.557 176.300 -0.029 0.000 1.062 477 M CA 1.563 56.781 55.300 -0.138 0.000 1.105 477 M CB -0.210 32.300 32.600 -0.150 0.000 1.385 477 M HN 0.011 nan 8.290 nan 0.000 0.417 478 K N -0.163 120.182 120.400 -0.091 0.000 2.025 478 K HA -0.136 4.188 4.320 0.007 0.000 0.207 478 K C 1.596 178.234 176.600 0.064 0.000 1.049 478 K CA 1.619 57.865 56.287 -0.069 0.000 0.933 478 K CB -0.243 32.154 32.500 -0.171 0.000 0.714 478 K HN 0.192 nan 8.250 nan 0.000 0.438 479 Y N -0.573 119.844 120.300 0.194 0.000 2.097 479 Y HA -0.258 4.298 4.550 0.009 0.000 0.282 479 Y C 2.305 178.346 175.900 0.234 0.000 1.152 479 Y CA 1.207 59.462 58.100 0.257 0.000 1.136 479 Y CB -0.903 37.856 38.460 0.499 0.000 0.975 479 Y HN 0.216 nan 8.280 nan 0.000 0.498 480 W N 0.574 121.945 121.300 0.119 0.000 2.355 480 W HA -0.240 4.424 4.660 0.006 0.000 0.309 480 W C 2.530 179.045 176.519 -0.006 0.000 1.206 480 W CA 2.206 59.559 57.345 0.013 0.000 1.284 480 W CB -0.608 28.787 29.460 -0.108 0.000 1.145 480 W HN 0.247 nan 8.180 nan 0.000 0.502 481 T N -2.336 112.323 114.554 0.175 0.000 2.985 481 T HA -0.117 4.237 4.350 0.007 0.000 0.266 481 T C 1.387 176.108 174.700 0.034 0.000 1.076 481 T CA 1.143 63.274 62.100 0.052 0.000 1.135 481 T CB -0.509 68.367 68.868 0.013 0.000 0.890 481 T HN -0.095 nan 8.240 nan 0.000 0.480 482 N N 0.934 119.674 118.700 0.066 0.000 2.120 482 N HA 0.008 4.752 4.740 0.007 0.000 0.188 482 N C 1.310 176.810 175.510 -0.017 0.000 1.024 482 N CA 0.964 54.032 53.050 0.030 0.000 0.852 482 N CB -0.733 37.794 38.487 0.066 0.000 1.003 482 N HN 0.453 nan 8.380 nan 0.000 0.424 483 F N 1.698 121.554 119.950 -0.156 0.000 2.095 483 F HA -0.137 4.395 4.527 0.007 0.000 0.298 483 F C 2.182 177.878 175.800 -0.173 0.000 1.104 483 F CA 1.505 59.360 58.000 -0.243 0.000 1.232 483 F CB -0.647 38.125 39.000 -0.380 0.000 0.987 483 F HN 0.051 nan 8.300 nan 0.000 0.475 484 A N 0.418 123.145 122.820 -0.156 0.000 1.948 484 A HA -0.226 4.098 4.320 0.007 0.000 0.220 484 A C 2.357 179.804 177.584 -0.230 0.000 1.177 484 A CA 1.969 53.882 52.037 -0.207 0.000 0.636 484 A CB -0.711 18.239 19.000 -0.083 0.000 0.815 484 A HN 0.498 nan 8.150 nan 0.000 0.449 485 R N -1.451 118.948 120.500 -0.168 0.000 2.075 485 R HA -0.042 4.302 4.340 0.007 0.000 0.226 485 R C 1.984 178.178 176.300 -0.177 0.000 1.114 485 R CA 1.764 57.786 56.100 -0.129 0.000 0.972 485 R CB -0.169 30.089 30.300 -0.071 0.000 0.869 485 R HN 0.727 nan 8.270 nan 0.000 0.437 486 T N -5.392 109.026 114.554 -0.227 0.000 2.986 486 T HA 0.234 4.588 4.350 0.007 0.000 0.264 486 T C 1.156 175.695 174.700 -0.269 0.000 0.964 486 T CA 0.406 62.388 62.100 -0.196 0.000 0.895 486 T CB 1.347 70.148 68.868 -0.110 0.000 1.163 486 T HN 0.319 nan 8.240 nan 0.000 0.517 487 G N 1.292 109.805 108.800 -0.477 0.000 2.143 487 G HA2 -0.162 3.802 3.960 0.007 0.000 0.249 487 G HA3 -0.162 3.802 3.960 0.007 0.000 0.249 487 G C -0.362 174.455 174.900 -0.137 0.000 0.981 487 G CA 0.209 44.978 45.100 -0.552 0.000 0.665 487 G HN 0.814 nan 8.290 nan 0.000 0.528 488 D N -0.739 119.582 120.400 -0.132 0.000 2.736 488 D HA 0.442 5.086 4.640 0.007 0.000 0.243 488 D C -1.261 174.894 176.300 -0.241 0.000 1.304 488 D CA -1.547 52.348 54.000 -0.175 0.000 0.934 488 D CB 2.043 42.815 40.800 -0.047 0.000 1.382 488 D HN -0.002 nan 8.370 nan 0.000 0.571 489 P HA -0.056 nan 4.420 nan 0.000 0.229 489 P C 0.133 177.443 177.300 0.017 0.000 1.160 489 P CA 0.181 63.099 63.100 -0.304 0.000 0.777 489 P CB 0.432 31.618 31.700 -0.856 0.000 0.814 490 N N 1.315 119.991 118.700 -0.040 0.000 2.415 490 N HA 0.004 4.748 4.740 0.007 0.000 0.248 490 N C 0.083 175.660 175.510 0.110 0.000 1.271 490 N CA 0.463 53.587 53.050 0.123 0.000 0.913 490 N CB 0.557 39.108 38.487 0.106 0.000 1.129 490 N HN 0.075 nan 8.380 nan 0.000 0.444 491 D N 0.852 121.332 120.400 0.134 0.000 2.280 491 D HA 0.163 4.807 4.640 0.007 0.000 0.243 491 D C -1.531 174.811 176.300 0.069 0.000 1.129 491 D CA -1.675 52.377 54.000 0.087 0.000 0.848 491 D CB 1.617 42.467 40.800 0.083 0.000 1.107 491 D HN 0.234 nan 8.370 nan 0.000 0.471 492 P HA -0.102 nan 4.420 nan 0.000 0.216 492 P C 1.419 178.743 177.300 0.040 0.000 1.153 492 P CA 1.222 64.347 63.100 0.042 0.000 0.844 492 P CB 0.279 31.996 31.700 0.029 0.000 0.787 493 R N 0.456 120.977 120.500 0.036 0.000 2.075 493 R HA -0.088 4.256 4.340 0.007 0.000 0.232 493 R C 1.358 177.681 176.300 0.038 0.000 1.126 493 R CA 1.706 57.826 56.100 0.032 0.000 0.963 493 R CB -2.059 28.257 30.300 0.026 0.000 0.858 493 R HN 0.168 nan 8.270 nan 0.000 0.435 494 D N 0.124 120.551 120.400 0.046 0.000 2.498 494 D HA 0.341 4.986 4.640 0.007 0.000 0.229 494 D C 1.426 177.762 176.300 0.060 0.000 1.188 494 D CA 0.630 54.661 54.000 0.051 0.000 1.028 494 D CB 0.376 41.210 40.800 0.058 0.000 1.087 494 D HN 0.470 nan 8.370 nan 0.000 0.510 495 S N 2.904 118.634 115.700 0.050 0.000 2.353 495 S HA -0.251 4.223 4.470 0.007 0.000 0.222 495 S C 2.082 176.716 174.600 0.056 0.000 1.035 495 S CA 2.288 60.519 58.200 0.052 0.000 1.025 495 S CB -0.444 62.780 63.200 0.041 0.000 0.902 495 S HN 0.487 nan 8.310 nan 0.000 0.440 496 K N 0.892 121.322 120.400 0.050 0.000 2.057 496 K HA 0.259 4.583 4.320 0.007 0.000 0.206 496 K C 1.482 178.116 176.600 0.056 0.000 1.050 496 K CA 1.012 57.327 56.287 0.047 0.000 0.935 496 K CB -1.333 31.189 32.500 0.038 0.000 0.715 496 K HN 0.428 nan 8.250 nan 0.000 0.439 497 S N 1.993 117.732 115.700 0.066 0.000 2.599 497 S HA 0.159 4.633 4.470 0.007 0.000 0.303 497 S C -2.285 172.373 174.600 0.098 0.000 1.267 497 S CA -0.751 57.500 58.200 0.085 0.000 1.055 497 S CB 0.531 63.795 63.200 0.106 0.000 0.790 497 S HN 0.435 nan 8.310 nan 0.000 0.500 498 P HA 0.128 nan 4.420 nan 0.000 0.268 498 P C -0.486 176.889 177.300 0.125 0.000 1.205 498 P CA -0.316 62.836 63.100 0.087 0.000 0.771 498 P CB 0.412 32.147 31.700 0.058 0.000 0.858 499 Q N 1.001 120.876 119.800 0.126 0.000 2.299 499 Q HA 0.149 4.493 4.340 0.007 0.000 0.246 499 Q C -0.663 175.476 176.000 0.231 0.000 0.935 499 Q CA 0.062 55.971 55.803 0.178 0.000 0.887 499 Q CB 0.832 29.663 28.738 0.156 0.000 1.223 499 Q HN 0.566 nan 8.270 nan 0.000 0.439 500 W N 6.365 127.702 121.300 0.062 0.000 2.317 500 W HA 0.313 4.977 4.660 0.007 0.000 0.327 500 W C -2.444 174.202 176.519 0.211 0.000 1.036 500 W CA -2.567 54.824 57.345 0.077 0.000 1.419 500 W CB 0.405 29.835 29.460 -0.049 0.000 1.253 500 W HN 0.380 nan 8.180 nan 0.000 0.392 501 P HA 0.263 nan 4.420 nan 0.000 0.277 501 P C -2.595 174.932 177.300 0.379 0.000 1.240 501 P CA -1.708 61.617 63.100 0.375 0.000 0.798 501 P CB 0.643 32.472 31.700 0.216 0.000 0.979 502 P HA 0.037 nan 4.420 nan 0.000 0.268 502 P C -0.567 176.741 177.300 0.013 0.000 1.205 502 P CA 0.190 63.134 63.100 -0.260 0.000 0.771 502 P CB -0.002 31.511 31.700 -0.312 0.000 0.858 503 Y N 3.225 123.482 120.300 -0.072 0.000 2.465 503 Y HA 0.302 4.859 4.550 0.012 0.000 0.331 503 Y C 0.453 176.344 175.900 -0.014 0.000 1.102 503 Y CA 0.633 58.748 58.100 0.025 0.000 1.358 503 Y CB 0.190 38.685 38.460 0.057 0.000 1.213 503 Y HN 0.404 nan 8.280 nan 0.000 0.525 504 T N 0.159 114.450 114.554 -0.437 0.000 2.916 504 T HA 0.255 4.609 4.350 0.007 0.000 0.292 504 T C 0.945 175.388 174.700 -0.428 0.000 1.064 504 T CA -0.214 61.712 62.100 -0.289 0.000 1.011 504 T CB 1.256 70.037 68.868 -0.146 0.000 1.152 504 T HN 0.635 nan 8.240 nan 0.000 0.510 505 T N -1.086 113.360 114.554 -0.180 0.000 2.867 505 T HA 0.018 4.372 4.350 0.007 0.000 0.268 505 T C 2.237 176.871 174.700 -0.110 0.000 1.057 505 T CA 0.953 62.983 62.100 -0.116 0.000 1.136 505 T CB -0.814 68.046 68.868 -0.013 0.000 0.874 505 T HN 0.843 nan 8.240 nan 0.000 0.466 506 A N 1.598 124.360 122.820 -0.096 0.000 1.872 506 A HA 0.552 4.876 4.320 0.007 0.000 0.214 506 A C 2.579 180.120 177.584 -0.072 0.000 1.187 506 A CA 1.493 53.493 52.037 -0.062 0.000 0.614 506 A CB -0.968 18.008 19.000 -0.041 0.000 0.826 506 A HN 0.768 nan 8.150 nan 0.000 0.442 507 A N -2.264 120.489 122.820 -0.112 0.000 2.324 507 A HA 0.346 4.670 4.320 0.007 0.000 0.220 507 A C 0.812 178.325 177.584 -0.119 0.000 1.209 507 A CA 0.679 52.665 52.037 -0.085 0.000 0.918 507 A CB -0.144 18.823 19.000 -0.055 0.000 0.959 507 A HN 0.475 nan 8.150 nan 0.000 0.507 508 Q N 0.293 119.907 119.800 -0.310 0.000 2.416 508 Q HA -0.231 4.114 4.340 0.007 0.000 0.319 508 Q C -0.724 175.276 176.000 0.000 0.000 1.318 508 Q CA 0.742 56.283 55.803 -0.437 0.000 0.915 508 Q CB -1.578 27.100 28.738 -0.100 0.000 1.184 508 Q HN 0.820 nan 8.270 nan 0.000 0.444 509 Q N 0.439 120.251 119.800 0.021 0.000 2.288 509 Q HA 0.477 4.822 4.340 0.007 0.000 0.254 509 Q C -0.387 175.883 176.000 0.449 0.000 0.932 509 Q CA -0.058 55.861 55.803 0.192 0.000 0.902 509 Q CB 0.632 29.431 28.738 0.102 0.000 1.203 509 Q HN 0.350 nan 8.270 nan 0.000 0.415 510 Y N -1.718 118.713 120.300 0.219 0.000 2.655 510 Y HA 0.705 5.264 4.550 0.015 0.000 0.336 510 Y C -1.102 174.816 175.900 0.031 0.000 1.154 510 Y CA -1.555 56.673 58.100 0.212 0.000 1.055 510 Y CB 0.523 39.109 38.460 0.210 0.000 1.295 510 Y HN 0.351 nan 8.280 nan 0.000 0.465 511 V N -0.287 119.561 119.914 -0.110 0.000 2.769 511 V HA 0.820 4.945 4.120 0.007 0.000 0.312 511 V C -0.142 175.863 176.094 -0.148 0.000 1.058 511 V CA -0.599 61.479 62.300 -0.370 0.000 0.952 511 V CB 1.234 32.569 31.823 -0.814 0.000 1.019 511 V HN 1.152 nan 8.190 nan 0.000 0.445 512 S N 3.851 119.454 115.700 -0.160 0.000 2.523 512 S HA 0.668 5.142 4.470 0.007 0.000 0.275 512 S C -0.448 174.113 174.600 -0.066 0.000 1.281 512 S CA -0.632 57.546 58.200 -0.036 0.000 1.050 512 S CB 0.457 63.628 63.200 -0.048 0.000 0.937 512 S HN 0.734 nan 8.310 nan 0.000 0.492 513 L N 4.212 125.440 121.223 0.008 0.000 2.277 513 L HA 0.508 4.852 4.340 0.007 0.000 0.284 513 L C -0.204 176.564 176.870 -0.170 0.000 1.028 513 L CA -0.423 54.431 54.840 0.024 0.000 0.835 513 L CB 0.078 42.226 42.059 0.148 0.000 1.215 513 L HN 0.938 nan 8.230 nan 0.000 0.425 514 N N 2.114 120.666 118.700 -0.248 0.000 3.439 514 N HA 0.326 5.070 4.740 0.007 0.000 0.313 514 N C 0.166 175.127 175.510 -0.916 0.000 1.598 514 N CA -0.965 51.674 53.050 -0.684 0.000 0.830 514 N CB 0.594 38.858 38.487 -0.370 0.000 1.849 514 N HN 0.192 nan 8.380 nan 0.000 0.598 515 L N -0.928 119.798 121.223 -0.828 0.000 2.456 515 L HA 0.107 4.451 4.340 0.007 0.000 0.224 515 L C 0.522 177.226 176.870 -0.277 0.000 1.148 515 L CA 0.875 55.344 54.840 -0.618 0.000 0.825 515 L CB -0.515 41.276 42.059 -0.447 0.000 0.937 515 L HN 0.343 nan 8.230 nan 0.000 0.450 516 K N 0.179 120.452 120.400 -0.211 0.000 2.090 516 K HA 0.350 4.674 4.320 0.007 0.000 0.249 516 K C -2.186 174.382 176.600 -0.052 0.000 0.995 516 K CA -1.942 54.283 56.287 -0.104 0.000 0.914 516 K CB 0.450 32.897 32.500 -0.088 0.000 1.057 516 K HN -0.236 nan 8.250 nan 0.000 0.462 517 P HA 0.014 nan 4.420 nan 0.000 0.270 517 P C -0.381 176.924 177.300 0.009 0.000 1.223 517 P CA -0.226 62.888 63.100 0.023 0.000 0.785 517 P CB 0.388 32.102 31.700 0.023 0.000 0.923 518 L N 1.291 122.534 121.223 0.034 0.000 2.615 518 L HA -0.071 4.273 4.340 0.007 0.000 0.284 518 L C 1.087 177.921 176.870 -0.061 0.000 1.237 518 L CA 0.843 55.661 54.840 -0.036 0.000 0.905 518 L CB -0.294 41.740 42.059 -0.042 0.000 1.149 518 L HN 0.510 nan 8.230 nan 0.000 0.499 519 E N 3.268 123.405 120.200 -0.105 0.000 2.187 519 E HA 0.403 4.757 4.350 0.007 0.000 0.268 519 E C -1.375 175.125 176.600 -0.167 0.000 0.896 519 E CA -0.812 55.525 56.400 -0.106 0.000 0.766 519 E CB 1.908 31.554 29.700 -0.090 0.000 1.142 519 E HN 0.296 nan 8.360 nan 0.000 0.408 520 V N 5.229 125.058 119.914 -0.141 0.000 2.432 520 V HA 0.380 4.504 4.120 0.007 0.000 0.271 520 V C 0.331 176.290 176.094 -0.225 0.000 1.046 520 V CA -0.224 61.971 62.300 -0.174 0.000 0.945 520 V CB 0.854 32.631 31.823 -0.077 0.000 0.992 520 V HN 0.694 nan 8.190 nan 0.000 0.471 521 R N 3.807 124.049 120.500 -0.429 0.000 2.873 521 R HA 0.735 5.079 4.340 0.007 0.000 0.264 521 R C -0.699 175.409 176.300 -0.320 0.000 1.026 521 R CA -1.016 54.802 56.100 -0.469 0.000 1.002 521 R CB 2.350 32.190 30.300 -0.766 0.000 1.174 521 R HN 0.585 nan 8.270 nan 0.000 0.488 522 R N -0.123 120.360 120.500 -0.029 0.000 2.534 522 R HA 0.444 4.788 4.340 0.007 0.000 0.301 522 R C -0.809 175.673 176.300 0.304 0.000 0.961 522 R CA -0.287 55.898 56.100 0.141 0.000 0.871 522 R CB 2.185 32.527 30.300 0.071 0.000 1.170 522 R HN 0.891 nan 8.270 nan 0.000 0.446 523 G N 2.318 111.329 108.800 0.351 0.000 3.391 523 G HA2 -0.225 3.739 3.960 0.007 0.000 0.675 523 G HA3 -0.225 3.739 3.960 0.007 0.000 0.675 523 G C -1.069 174.007 174.900 0.294 0.000 0.899 523 G CA -0.836 44.437 45.100 0.287 0.000 0.755 523 G HN 0.387 nan 8.290 nan 0.000 0.475 524 L N 4.245 125.546 121.223 0.130 0.000 2.358 524 L HA 0.523 4.868 4.340 0.007 0.000 0.274 524 L C 1.547 178.419 176.870 0.003 0.000 1.136 524 L CA -0.315 54.443 54.840 -0.137 0.000 0.970 524 L CB -0.596 41.302 42.059 -0.269 0.000 1.314 524 L HN 0.727 nan 8.230 nan 0.000 0.427 525 R N 2.722 123.263 120.500 0.068 0.000 3.301 525 R HA -0.297 4.047 4.340 0.007 0.000 0.249 525 R C 1.424 177.813 176.300 0.149 0.000 0.964 525 R CA 0.538 56.714 56.100 0.127 0.000 0.653 525 R CB -1.684 28.702 30.300 0.144 0.000 1.043 525 R HN 0.778 nan 8.270 nan 0.000 0.454 526 A N 0.548 123.453 122.820 0.141 0.000 1.892 526 A HA -0.317 4.007 4.320 0.007 0.000 0.218 526 A C 2.007 179.679 177.584 0.147 0.000 1.188 526 A CA 1.891 54.013 52.037 0.141 0.000 0.631 526 A CB -0.225 18.853 19.000 0.129 0.000 0.822 526 A HN 0.485 nan 8.150 nan 0.000 0.447 527 Q N -0.893 118.992 119.800 0.140 0.000 1.993 527 Q HA -0.099 4.246 4.340 0.007 0.000 0.202 527 Q C 2.237 178.362 176.000 0.208 0.000 0.984 527 Q CA 2.493 58.382 55.803 0.144 0.000 0.837 527 Q CB -0.886 27.915 28.738 0.104 0.000 0.902 527 Q HN 0.592 nan 8.270 nan 0.000 0.423 528 T N -0.634 114.068 114.554 0.246 0.000 2.720 528 T HA -0.178 4.176 4.350 0.007 0.000 0.268 528 T C 1.829 176.761 174.700 0.386 0.000 1.037 528 T CA 1.425 63.721 62.100 0.327 0.000 1.144 528 T CB -0.506 68.576 68.868 0.358 0.000 0.864 528 T HN 0.378 nan 8.240 nan 0.000 0.444 529 c N 1.346 120.151 118.600 0.341 0.000 2.481 529 c HA 0.314 4.888 4.570 0.007 0.000 0.275 529 c C 3.074 177.328 174.090 0.274 0.000 1.419 529 c CA -0.150 56.391 56.329 0.352 0.000 1.773 529 c CB -1.411 41.236 42.510 0.227 0.000 1.862 529 c HN 0.641 nan 8.230 nan 0.000 0.530 530 A N 0.183 123.134 122.820 0.217 0.000 1.930 530 A HA -0.158 4.166 4.320 0.007 0.000 0.217 530 A C 1.838 179.525 177.584 0.171 0.000 1.175 530 A CA 1.375 53.513 52.037 0.169 0.000 0.627 530 A CB -0.738 18.345 19.000 0.139 0.000 0.815 530 A HN 0.551 nan 8.150 nan 0.000 0.443 531 F N -0.729 119.218 119.950 -0.005 0.000 2.069 531 F HA -0.196 4.334 4.527 0.006 0.000 0.298 531 F C 1.945 177.699 175.800 -0.076 0.000 1.113 531 F CA 1.945 59.855 58.000 -0.149 0.000 1.214 531 F CB -0.468 38.176 39.000 -0.595 0.000 0.978 531 F HN 0.376 nan 8.300 nan 0.000 0.474 532 W N 0.508 121.817 121.300 0.016 0.000 2.409 532 W HA -0.090 4.572 4.660 0.004 0.000 0.299 532 W C 2.239 178.714 176.519 -0.073 0.000 1.203 532 W CA 0.913 58.218 57.345 -0.066 0.000 1.298 532 W CB -0.608 28.936 29.460 0.140 0.000 1.127 532 W HN -0.047 nan 8.180 nan 0.000 0.528 533 N N -0.210 118.622 118.700 0.220 0.000 2.333 533 N HA -0.000 4.744 4.740 0.007 0.000 0.178 533 N C 1.542 177.086 175.510 0.056 0.000 1.018 533 N CA 1.040 54.161 53.050 0.118 0.000 0.882 533 N CB -0.293 38.261 38.487 0.111 0.000 0.984 533 N HN 0.220 nan 8.380 nan 0.000 0.434 534 R N -1.466 119.068 120.500 0.057 0.000 2.164 534 R HA 0.222 4.566 4.340 0.007 0.000 0.198 534 R C 1.372 177.695 176.300 0.039 0.000 1.028 534 R CA 0.103 56.235 56.100 0.053 0.000 1.083 534 R CB -0.045 30.308 30.300 0.088 0.000 1.026 534 R HN 0.075 nan 8.270 nan 0.000 0.514 535 F N 1.101 120.948 119.950 -0.171 0.000 2.222 535 F HA 0.119 4.651 4.527 0.008 0.000 0.285 535 F C 1.886 177.506 175.800 -0.301 0.000 1.068 535 F CA 0.603 58.469 58.000 -0.223 0.000 1.265 535 F CB -0.329 38.529 39.000 -0.236 0.000 1.087 535 F HN -0.154 nan 8.300 nan 0.000 0.511 536 L N 0.993 121.878 121.223 -0.563 0.000 2.081 536 L HA -0.139 4.206 4.340 0.007 0.000 0.212 536 L C -0.916 175.721 176.870 -0.388 0.000 1.080 536 L CA 1.663 56.138 54.840 -0.608 0.000 0.754 536 L CB -1.405 40.298 42.059 -0.593 0.000 0.893 536 L HN 0.057 nan 8.230 nan 0.000 0.433 537 P HA -0.217 nan 4.420 nan 0.000 0.215 537 P C 1.175 178.338 177.300 -0.228 0.000 1.157 537 P CA 1.637 64.632 63.100 -0.175 0.000 0.874 537 P CB -0.051 31.583 31.700 -0.109 0.000 0.790 538 K N -0.705 119.510 120.400 -0.308 0.000 2.147 538 K HA -0.106 4.218 4.320 0.007 0.000 0.205 538 K C 1.292 177.685 176.600 -0.346 0.000 1.049 538 K CA 1.255 57.360 56.287 -0.303 0.000 0.936 538 K CB -0.686 31.642 32.500 -0.285 0.000 0.722 538 K HN 0.204 nan 8.250 nan 0.000 0.446 539 L N -1.121 119.799 121.223 -0.504 0.000 2.688 539 L HA 0.205 4.549 4.340 0.007 0.000 0.234 539 L C 0.631 177.369 176.870 -0.221 0.000 1.192 539 L CA 0.849 55.481 54.840 -0.347 0.000 0.984 539 L CB -0.209 41.626 42.059 -0.373 0.000 1.232 539 L HN -0.058 nan 8.230 nan 0.000 0.465 540 L N -1.027 120.079 121.223 -0.195 0.000 3.110 540 L HA 0.381 4.725 4.340 0.007 0.000 0.266 540 L C 0.579 177.390 176.870 -0.098 0.000 1.257 540 L CA -0.030 54.735 54.840 -0.125 0.000 1.038 540 L CB 0.227 42.222 42.059 -0.107 0.000 1.395 540 L HN 0.195 nan 8.230 nan 0.000 0.566 541 S N 0.000 115.638 115.700 -0.103 0.000 2.498 541 S HA 0.000 4.474 4.470 0.007 0.000 0.327 541 S CA 0.000 58.154 58.200 -0.076 0.000 1.107 541 S CB 0.000 63.154 63.200 -0.076 0.000 0.593 541 S HN 0.000 nan 8.310 nan 0.000 0.517