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 2xug_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 RLVGcPPXXX 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 0.000 176.309 176.300 0.014 0.000 0.893 3 R CA 0.000 56.109 56.100 0.015 0.000 0.921 3 R CB 0.000 30.308 30.300 0.014 0.000 0.687 4 E N 1.431 121.641 120.200 0.017 0.000 7.510 4 E HA -0.110 4.246 4.350 0.010 0.000 0.207 4 E C -1.569 175.050 176.600 0.033 0.000 0.880 4 E CA -0.172 56.241 56.400 0.023 0.000 1.680 4 E CB 0.254 29.968 29.700 0.023 0.000 0.894 4 E HN 0.540 nan 8.360 nan 0.000 0.263 5 D N 6.992 127.417 120.400 0.042 0.000 2.389 5 D HA 0.060 4.706 4.640 0.010 0.000 0.263 5 D C -1.158 175.179 176.300 0.062 0.000 1.255 5 D CA -1.469 52.570 54.000 0.065 0.000 0.914 5 D CB 1.052 41.912 40.800 0.100 0.000 1.116 5 D HN 0.223 nan 8.370 nan 0.000 0.502 6 P HA -0.159 nan 4.420 nan 0.000 0.225 6 P C 0.979 178.294 177.300 0.025 0.000 1.148 6 P CA 0.734 63.852 63.100 0.030 0.000 0.779 6 P CB 0.436 32.144 31.700 0.013 0.000 0.780 7 Q N -0.240 119.571 119.800 0.019 0.000 2.425 7 Q HA 0.096 4.442 4.340 0.010 0.000 0.204 7 Q C 1.530 177.590 176.000 0.099 0.000 0.933 7 Q CA 0.622 56.410 55.803 -0.024 0.000 0.939 7 Q CB -0.672 27.918 28.738 -0.247 0.000 1.044 7 Q HN 0.233 nan 8.270 nan 0.000 0.513 8 L N 0.040 121.345 121.223 0.137 0.000 2.769 8 L HA 0.337 4.683 4.340 0.010 0.000 0.240 8 L C -0.545 176.480 176.870 0.259 0.000 1.163 8 L CA -0.164 54.782 54.840 0.176 0.000 0.962 8 L CB 0.431 42.519 42.059 0.047 0.000 1.258 8 L HN 0.046 nan 8.230 nan 0.000 0.513 9 L N 0.568 121.912 121.223 0.201 0.000 2.298 9 L HA 0.615 4.960 4.340 0.010 0.000 0.284 9 L C -0.716 176.210 176.870 0.094 0.000 1.013 9 L CA -0.478 54.461 54.840 0.164 0.000 0.824 9 L CB 1.930 44.042 42.059 0.089 0.000 1.221 9 L HN -0.231 nan 8.230 nan 0.000 0.418 10 V N 3.109 123.060 119.914 0.063 0.000 3.049 10 V HA 0.537 4.663 4.120 0.010 0.000 0.309 10 V C -0.618 175.401 176.094 -0.125 0.000 1.148 10 V CA -0.766 61.425 62.300 -0.181 0.000 0.990 10 V CB 3.052 34.506 31.823 -0.616 0.000 1.039 10 V HN 0.745 nan 8.190 nan 0.000 0.430 11 R N 1.890 122.278 120.500 -0.186 0.000 2.562 11 R HA 0.857 5.203 4.340 0.010 0.000 0.298 11 R C -1.021 175.192 176.300 -0.146 0.000 0.961 11 R CA -0.331 55.704 56.100 -0.108 0.000 0.881 11 R CB 1.968 32.208 30.300 -0.100 0.000 1.159 11 R HN 0.699 nan 8.270 nan 0.000 0.450 12 V N 1.454 121.337 119.914 -0.051 0.000 3.145 12 V HA 0.527 4.653 4.120 0.010 0.000 0.311 12 V C 1.083 177.104 176.094 -0.121 0.000 1.238 12 V CA -0.964 61.307 62.300 -0.049 0.000 1.066 12 V CB 1.524 33.464 31.823 0.194 0.000 1.144 12 V HN 0.843 nan 8.190 nan 0.000 0.465 13 R N 0.778 121.203 120.500 -0.125 0.000 2.103 13 R HA 0.159 4.505 4.340 0.010 0.000 0.242 13 R C 1.271 177.449 176.300 -0.204 0.000 1.142 13 R CA 2.677 58.692 56.100 -0.141 0.000 0.960 13 R CB -0.955 29.285 30.300 -0.101 0.000 0.858 13 R HN 1.968 nan 8.270 nan 0.000 0.439 14 G N -2.712 105.887 108.800 -0.335 0.000 3.110 14 G HA2 0.170 4.136 3.960 0.010 0.000 0.238 14 G HA3 0.170 4.136 3.960 0.010 0.000 0.238 14 G C 0.490 174.548 174.900 -1.404 0.000 1.647 14 G CA -0.261 44.501 45.100 -0.563 0.000 1.146 14 G HN 1.227 nan 8.290 nan 0.000 0.545 15 G N -1.358 106.917 108.800 -0.875 0.000 2.340 15 G HA2 0.511 4.477 3.960 0.010 0.000 0.282 15 G HA3 0.511 4.477 3.960 0.010 0.000 0.282 15 G C -0.965 173.870 174.900 -0.109 0.000 1.312 15 G CA 0.336 44.971 45.100 -0.775 0.000 0.942 15 G HN 0.999 nan 8.290 nan 0.000 0.495 16 Q N -0.434 119.446 119.800 0.133 0.000 2.293 16 Q HA 0.650 4.995 4.340 0.010 0.000 0.251 16 Q C -0.357 175.901 176.000 0.430 0.000 0.930 16 Q CA -0.087 55.859 55.803 0.238 0.000 0.893 16 Q CB 1.468 30.301 28.738 0.158 0.000 1.215 16 Q HN 0.434 nan 8.270 nan 0.000 0.425 17 L N 1.865 123.285 121.223 0.330 0.000 2.362 17 L HA 0.594 4.940 4.340 0.010 0.000 0.271 17 L C -0.370 176.701 176.870 0.334 0.000 1.002 17 L CA -0.757 54.309 54.840 0.376 0.000 0.818 17 L CB 1.982 44.325 42.059 0.472 0.000 1.298 17 L HN 0.444 nan 8.230 nan 0.000 0.420 18 R N 0.997 121.651 120.500 0.258 0.000 2.310 18 R HA 0.620 4.965 4.340 0.010 0.000 0.324 18 R C -0.184 176.151 176.300 0.059 0.000 0.955 18 R CA -0.283 55.918 56.100 0.168 0.000 0.830 18 R CB 1.609 31.957 30.300 0.079 0.000 1.154 18 R HN 0.841 nan 8.270 nan 0.000 0.458 19 G N 3.229 111.939 108.800 -0.150 0.000 2.583 19 G HA2 0.487 4.453 3.960 0.010 0.000 0.280 19 G HA3 0.487 4.453 3.960 0.010 0.000 0.280 19 G C -1.041 173.596 174.900 -0.438 0.000 1.376 19 G CA -0.686 43.986 45.100 -0.713 0.000 1.043 19 G HN 0.592 nan 8.290 nan 0.000 0.538 20 I N -0.859 119.425 120.570 -0.478 0.000 2.582 20 I HA 0.501 4.677 4.170 0.010 0.000 0.292 20 I C -0.088 175.896 176.117 -0.221 0.000 1.066 20 I CA -1.117 60.018 61.300 -0.274 0.000 1.053 20 I CB 2.039 39.892 38.000 -0.245 0.000 1.241 20 I HN 0.426 nan 8.210 nan 0.000 0.421 21 R N 7.941 128.347 120.500 -0.157 0.000 2.242 21 R HA 0.482 4.828 4.340 0.010 0.000 0.334 21 R C -1.640 174.547 176.300 -0.188 0.000 1.071 21 R CA -0.306 55.676 56.100 -0.197 0.000 0.922 21 R CB 0.378 30.506 30.300 -0.286 0.000 1.023 21 R HN 0.671 nan 8.270 nan 0.000 0.458 22 L N 3.472 124.606 121.223 -0.149 0.000 2.352 22 L HA 0.457 4.803 4.340 0.010 0.000 0.269 22 L C 0.168 176.964 176.870 -0.123 0.000 1.034 22 L CA -0.890 53.884 54.840 -0.111 0.000 0.806 22 L CB 1.633 43.664 42.059 -0.047 0.000 1.244 22 L HN 0.458 nan 8.230 nan 0.000 0.447 23 K N 1.282 121.618 120.400 -0.105 0.000 2.248 23 K HA 0.621 4.947 4.320 0.010 0.000 0.281 23 K C -0.762 175.776 176.600 -0.103 0.000 1.054 23 K CA -0.297 55.932 56.287 -0.097 0.000 0.903 23 K CB 1.399 33.854 32.500 -0.075 0.000 1.077 23 K HN 0.688 nan 8.250 nan 0.000 0.474 24 A N 4.841 127.601 122.820 -0.101 0.000 2.299 24 A HA 0.494 4.819 4.320 0.010 0.000 0.332 24 A C -2.029 175.548 177.584 -0.011 0.000 1.131 24 A CA -1.641 50.329 52.037 -0.111 0.000 0.844 24 A CB 0.599 19.504 19.000 -0.158 0.000 1.251 24 A HN 0.534 nan 8.150 nan 0.000 0.486 25 P HA -0.117 nan 4.420 nan 0.000 0.216 25 P C 1.398 178.723 177.300 0.041 0.000 1.150 25 P CA 2.084 65.224 63.100 0.066 0.000 0.843 25 P CB 0.159 31.925 31.700 0.109 0.000 0.787 26 G N -2.097 106.729 108.800 0.045 0.000 2.712 26 G HA2 0.387 4.353 3.960 0.010 0.000 0.212 26 G HA3 0.387 4.353 3.960 0.010 0.000 0.212 26 G C 0.644 175.557 174.900 0.022 0.000 1.142 26 G CA 0.605 45.725 45.100 0.034 0.000 0.789 26 G HN 0.634 nan 8.290 nan 0.000 0.535 27 G N -0.668 108.137 108.800 0.009 0.000 2.350 27 G HA2 0.330 4.296 3.960 0.010 0.000 0.282 27 G HA3 0.330 4.296 3.960 0.010 0.000 0.282 27 G C -3.347 171.535 174.900 -0.031 0.000 1.314 27 G CA -0.602 44.495 45.100 -0.004 0.000 0.915 27 G HN 0.057 nan 8.290 nan 0.000 0.499 28 P HA 0.513 nan 4.420 nan 0.000 0.278 28 P C 0.011 177.296 177.300 -0.024 0.000 1.238 28 P CA -0.202 62.809 63.100 -0.147 0.000 0.794 28 P CB 1.575 33.032 31.700 -0.404 0.000 0.955 29 V N -0.687 119.217 119.914 -0.016 0.000 2.960 29 V HA 0.646 4.772 4.120 0.010 0.000 0.315 29 V C -0.102 176.087 176.094 0.158 0.000 1.087 29 V CA -0.916 61.463 62.300 0.133 0.000 0.982 29 V CB 1.727 33.641 31.823 0.151 0.000 1.039 29 V HN 0.413 nan 8.190 nan 0.000 0.437 30 S N 1.577 117.448 115.700 0.285 0.000 2.525 30 S HA 0.845 5.320 4.470 0.010 0.000 0.278 30 S C 0.018 174.674 174.600 0.094 0.000 1.234 30 S CA 0.034 58.371 58.200 0.229 0.000 1.058 30 S CB 1.199 64.641 63.200 0.404 0.000 0.983 30 S HN 1.536 nan 8.310 nan 0.000 0.495 31 A N 2.562 125.244 122.820 -0.231 0.000 2.393 31 A HA 0.810 5.136 4.320 0.010 0.000 0.306 31 A C -1.408 175.782 177.584 -0.656 0.000 1.050 31 A CA -0.616 51.171 52.037 -0.416 0.000 0.724 31 A CB 0.666 19.364 19.000 -0.503 0.000 1.248 31 A HN 0.675 nan 8.150 nan 0.000 0.424 32 F N 2.541 122.316 119.950 -0.291 0.000 2.532 32 F HA 0.467 5.000 4.527 0.009 0.000 0.365 32 F C -0.288 175.334 175.800 -0.296 0.000 1.112 32 F CA -0.253 57.657 58.000 -0.150 0.000 1.082 32 F CB 1.326 40.383 39.000 0.095 0.000 1.319 32 F HN 0.365 nan 8.300 nan 0.000 0.457 33 L N 1.863 122.930 121.223 -0.261 0.000 2.325 33 L HA 0.728 5.074 4.340 0.010 0.000 0.278 33 L C 0.948 177.719 176.870 -0.166 0.000 1.023 33 L CA -1.008 53.619 54.840 -0.355 0.000 0.811 33 L CB 1.721 43.338 42.059 -0.736 0.000 1.249 33 L HN 0.782 nan 8.230 nan 0.000 0.431 34 G N 2.890 111.659 108.800 -0.052 0.000 2.246 34 G HA2 -0.256 3.709 3.960 0.010 0.000 0.273 34 G HA3 -0.256 3.709 3.960 0.010 0.000 0.273 34 G C -0.147 174.815 174.900 0.105 0.000 1.055 34 G CA -0.311 44.789 45.100 0.001 0.000 0.851 34 G HN 0.476 nan 8.290 nan 0.000 0.500 35 I N 2.127 122.757 120.570 0.100 0.000 2.379 35 I HA 0.236 4.412 4.170 0.010 0.000 0.290 35 I C -1.407 174.759 176.117 0.081 0.000 1.063 35 I CA -2.125 59.219 61.300 0.074 0.000 1.351 35 I CB 0.928 38.945 38.000 0.029 0.000 1.410 35 I HN -0.024 nan 8.210 nan 0.000 0.505 36 P HA 0.027 nan 4.420 nan 0.000 0.276 36 P C -0.203 177.035 177.300 -0.104 0.000 1.230 36 P CA 0.068 62.989 63.100 -0.298 0.000 0.776 36 P CB 0.520 32.033 31.700 -0.311 0.000 0.888 37 F N 0.809 120.602 119.950 -0.262 0.000 2.728 37 F HA 0.693 5.226 4.527 0.010 0.000 0.314 37 F C 0.166 175.956 175.800 -0.016 0.000 1.094 37 F CA -0.611 57.318 58.000 -0.118 0.000 1.217 37 F CB 0.168 39.012 39.000 -0.260 0.000 1.056 37 F HN 0.300 nan 8.300 nan 0.000 0.577 38 A N 0.331 122.847 122.820 -0.507 0.000 2.515 38 A HA 0.593 4.919 4.320 0.010 0.000 0.296 38 A C -0.698 176.732 177.584 -0.257 0.000 1.094 38 A CA -0.740 51.121 52.037 -0.294 0.000 0.718 38 A CB 1.000 19.775 19.000 -0.375 0.000 1.307 38 A HN 0.073 nan 8.150 nan 0.000 0.408 39 E N 1.200 121.327 120.200 -0.120 0.000 2.414 39 E HA 0.195 4.551 4.350 0.010 0.000 0.263 39 E C -2.272 174.243 176.600 -0.141 0.000 1.000 39 E CA -1.230 55.114 56.400 -0.094 0.000 0.914 39 E CB 0.019 29.701 29.700 -0.031 0.000 0.948 39 E HN 0.232 nan 8.360 nan 0.000 0.444 40 P HA -0.016 nan 4.420 nan 0.000 0.260 40 P C -2.212 175.031 177.300 -0.095 0.000 1.185 40 P CA -0.626 62.402 63.100 -0.120 0.000 0.763 40 P CB -0.023 31.639 31.700 -0.063 0.000 0.776 41 P HA 0.024 nan 4.420 nan 0.000 0.218 41 P C -0.343 176.902 177.300 -0.092 0.000 1.793 41 P CA 0.061 63.109 63.100 -0.087 0.000 0.941 41 P CB -0.052 31.597 31.700 -0.085 0.000 1.919 42 V N -2.883 116.984 119.914 -0.079 0.000 3.096 42 V HA 0.913 5.039 4.120 0.010 0.000 0.319 42 V C 0.861 176.915 176.094 -0.067 0.000 1.103 42 V CA 0.110 62.361 62.300 -0.081 0.000 1.016 42 V CB 0.894 32.679 31.823 -0.064 0.000 1.090 42 V HN 0.541 nan 8.190 nan 0.000 0.449 43 G N 2.387 111.148 108.800 -0.066 0.000 2.591 43 G HA2 -0.323 3.643 3.960 0.010 0.000 0.298 43 G HA3 -0.323 3.643 3.960 0.010 0.000 0.298 43 G C 1.164 176.037 174.900 -0.045 0.000 1.195 43 G CA 1.441 46.515 45.100 -0.045 0.000 0.989 43 G HN 2.459 nan 8.290 nan 0.000 0.551 44 S N 0.283 115.970 115.700 -0.021 0.000 2.584 44 S HA 0.081 4.557 4.470 0.010 0.000 0.240 44 S C 1.849 176.444 174.600 -0.008 0.000 0.975 44 S CA 1.723 59.920 58.200 -0.004 0.000 0.949 44 S CB 0.025 63.230 63.200 0.008 0.000 0.761 44 S HN 0.716 nan 8.310 nan 0.000 0.536 45 R N 0.368 120.846 120.500 -0.038 0.000 2.404 45 R HA 0.304 4.649 4.340 0.010 0.000 0.237 45 R C 0.816 177.065 176.300 -0.085 0.000 0.907 45 R CA -0.429 55.648 56.100 -0.038 0.000 1.063 45 R CB 0.257 30.536 30.300 -0.036 0.000 1.134 45 R HN 0.355 nan 8.270 nan 0.000 0.529 46 R N 0.589 120.979 120.500 -0.183 0.000 2.640 46 R HA -0.136 4.209 4.340 0.010 0.000 0.270 46 R C -0.347 175.687 176.300 -0.442 0.000 1.024 46 R CA 0.877 56.722 56.100 -0.425 0.000 1.085 46 R CB 0.152 30.054 30.300 -0.664 0.000 0.963 46 R HN 0.141 nan 8.270 nan 0.000 0.426 47 F N -1.072 118.895 119.950 0.027 0.000 2.666 47 F HA -0.304 4.228 4.527 0.009 0.000 0.458 47 F C 0.179 175.975 175.800 -0.006 0.000 0.561 47 F CA 0.578 58.572 58.000 -0.010 0.000 1.129 47 F CB -1.445 37.540 39.000 -0.026 0.000 1.751 47 F HN 0.429 nan 8.300 nan 0.000 0.275 48 M N 1.757 121.424 119.600 0.110 0.000 2.288 48 M HA 0.377 4.863 4.480 0.010 0.000 0.334 48 M C -1.847 174.486 176.300 0.055 0.000 1.150 48 M CA -1.780 53.567 55.300 0.080 0.000 1.118 48 M CB 0.172 32.804 32.600 0.054 0.000 1.501 48 M HN -0.314 nan 8.290 nan 0.000 0.462 49 P HA 0.115 nan 4.420 nan 0.000 0.268 49 P C -2.439 174.893 177.300 0.054 0.000 1.208 49 P CA -0.542 62.596 63.100 0.064 0.000 0.777 49 P CB -0.610 31.138 31.700 0.079 0.000 0.875 50 P HA 0.191 nan 4.420 nan 0.000 0.278 50 P C -0.607 176.729 177.300 0.059 0.000 1.238 50 P CA -0.040 63.087 63.100 0.044 0.000 0.794 50 P CB 1.077 32.817 31.700 0.066 0.000 0.955 51 E N 2.480 122.701 120.200 0.036 0.000 2.191 51 E HA 0.363 4.719 4.350 0.010 0.000 0.274 51 E C -2.288 174.348 176.600 0.060 0.000 0.948 51 E CA -2.329 54.102 56.400 0.051 0.000 0.802 51 E CB 0.503 30.224 29.700 0.036 0.000 1.137 51 E HN 0.327 nan 8.360 nan 0.000 0.397 52 P HA -0.116 nan 4.420 nan 0.000 0.264 52 P C -0.570 176.795 177.300 0.109 0.000 1.179 52 P CA 0.159 63.338 63.100 0.132 0.000 0.763 52 P CB 0.369 32.148 31.700 0.130 0.000 0.806 53 K N 3.929 124.413 120.400 0.141 0.000 2.451 53 K HA 0.031 4.357 4.320 0.010 0.000 0.280 53 K C 0.098 176.807 176.600 0.181 0.000 1.020 53 K CA 0.435 56.808 56.287 0.143 0.000 1.008 53 K CB 0.193 32.815 32.500 0.203 0.000 0.917 53 K HN 0.272 nan 8.250 nan 0.000 0.478 54 R N 5.067 125.660 120.500 0.154 0.000 2.490 54 R HA 0.194 4.540 4.340 0.010 0.000 0.280 54 R C -2.006 174.401 176.300 0.178 0.000 1.077 54 R CA -1.730 54.448 56.100 0.130 0.000 1.065 54 R CB 0.287 30.645 30.300 0.097 0.000 1.003 54 R HN 0.603 nan 8.270 nan 0.000 0.470 55 P HA -0.079 nan 4.420 nan 0.000 0.267 55 P C -0.986 176.351 177.300 0.063 0.000 1.200 55 P CA 0.150 63.201 63.100 -0.081 0.000 0.772 55 P CB 0.308 31.915 31.700 -0.155 0.000 0.855 56 W N 1.145 122.480 121.300 0.059 0.000 2.594 56 W HA 0.714 5.379 4.660 0.009 0.000 0.365 56 W C -0.627 175.919 176.519 0.045 0.000 1.196 56 W CA -0.854 56.522 57.345 0.052 0.000 1.258 56 W CB 0.010 29.508 29.460 0.063 0.000 1.405 56 W HN 0.377 nan 8.180 nan 0.000 0.640 57 S N 0.680 116.553 115.700 0.289 0.000 2.568 57 S HA 0.866 5.341 4.470 0.010 0.000 0.302 57 S C 0.207 174.958 174.600 0.252 0.000 1.082 57 S CA -0.180 58.118 58.200 0.163 0.000 1.009 57 S CB 1.044 64.304 63.200 0.100 0.000 1.069 57 S HN 2.136 nan 8.310 nan 0.000 0.500 58 G N 0.054 108.957 108.800 0.172 0.000 2.750 58 G HA2 -0.109 3.857 3.960 0.010 0.000 0.228 58 G HA3 -0.109 3.857 3.960 0.010 0.000 0.228 58 G C -0.790 174.265 174.900 0.258 0.000 1.367 58 G CA -0.410 44.793 45.100 0.171 0.000 0.871 58 G HN 1.653 nan 8.290 nan 0.000 0.560 59 V N 0.872 120.905 119.914 0.197 0.000 2.350 59 V HA 0.504 4.629 4.120 0.010 0.000 0.276 59 V C 0.949 177.148 176.094 0.175 0.000 1.028 59 V CA -0.253 62.176 62.300 0.215 0.000 0.860 59 V CB 1.143 33.049 31.823 0.139 0.000 0.990 59 V HN 0.811 nan 8.190 nan 0.000 0.453 60 L N 4.678 126.026 121.223 0.208 0.000 2.410 60 L HA 0.278 4.624 4.340 0.010 0.000 0.273 60 L C 0.633 177.508 176.870 0.008 0.000 1.144 60 L CA 0.138 54.950 54.840 -0.046 0.000 0.863 60 L CB 0.594 42.402 42.059 -0.419 0.000 1.140 60 L HN 0.682 nan 8.230 nan 0.000 0.463 61 D N 4.818 125.194 120.400 -0.040 0.000 2.371 61 D HA 0.159 4.805 4.640 0.010 0.000 0.256 61 D C -0.422 175.844 176.300 -0.056 0.000 1.193 61 D CA 0.115 54.093 54.000 -0.035 0.000 0.881 61 D CB 1.470 42.237 40.800 -0.055 0.000 1.143 61 D HN 0.661 nan 8.370 nan 0.000 0.473 62 A N 3.135 125.938 122.820 -0.028 0.000 3.105 62 A HA 0.227 4.553 4.320 0.010 0.000 0.297 62 A C 0.863 178.351 177.584 -0.160 0.000 0.977 62 A CA -0.397 51.614 52.037 -0.044 0.000 1.020 62 A CB -0.075 19.001 19.000 0.126 0.000 1.098 62 A HN 0.556 nan 8.150 nan 0.000 0.497 63 T N -3.259 111.182 114.554 -0.188 0.000 3.010 63 T HA 0.279 4.635 4.350 0.010 0.000 0.257 63 T C 0.645 175.176 174.700 -0.281 0.000 1.020 63 T CA 0.768 62.724 62.100 -0.239 0.000 0.938 63 T CB -0.145 68.618 68.868 -0.175 0.000 1.049 63 T HN 0.745 nan 8.240 nan 0.000 0.522 64 T N -0.447 113.942 114.554 -0.276 0.000 2.903 64 T HA 0.706 5.062 4.350 0.010 0.000 0.299 64 T C -0.816 173.713 174.700 -0.285 0.000 1.093 64 T CA -0.854 61.081 62.100 -0.275 0.000 1.002 64 T CB 1.117 69.892 68.868 -0.155 0.000 1.127 64 T HN -0.002 nan 8.240 nan 0.000 0.488 65 F N 1.999 121.882 119.950 -0.112 0.000 2.506 65 F HA 0.335 4.868 4.527 0.010 0.000 0.351 65 F C 1.449 177.148 175.800 -0.167 0.000 1.136 65 F CA -0.128 57.806 58.000 -0.110 0.000 1.298 65 F CB 0.542 39.504 39.000 -0.063 0.000 1.145 65 F HN 0.483 nan 8.300 nan 0.000 0.593 66 Q N 1.320 121.129 119.800 0.016 0.000 2.171 66 Q HA 0.219 4.565 4.340 0.010 0.000 0.217 66 Q C -0.232 175.673 176.000 -0.159 0.000 0.995 66 Q CA -0.843 54.808 55.803 -0.253 0.000 0.979 66 Q CB 0.615 28.906 28.738 -0.744 0.000 1.152 66 Q HN 0.515 nan 8.270 nan 0.000 0.525 67 N N -0.071 118.493 118.700 -0.227 0.000 2.345 67 N HA -0.020 4.726 4.740 0.010 0.000 0.243 67 N C -0.470 175.001 175.510 -0.066 0.000 1.246 67 N CA 0.222 53.197 53.050 -0.124 0.000 0.863 67 N CB 0.311 38.737 38.487 -0.101 0.000 1.096 67 N HN 0.178 nan 8.380 nan 0.000 0.446 68 V N 1.623 121.479 119.914 -0.095 0.000 2.686 68 V HA 0.105 4.231 4.120 0.010 0.000 0.295 68 V C 0.719 176.758 176.094 -0.093 0.000 1.057 68 V CA -0.852 61.386 62.300 -0.104 0.000 1.012 68 V CB 1.194 32.918 31.823 -0.165 0.000 1.006 68 V HN 0.707 nan 8.190 nan 0.000 0.477 69 c N 3.672 122.238 118.600 -0.058 0.000 2.679 69 c HA 0.170 4.745 4.570 0.010 0.000 0.417 69 c C 0.366 174.415 174.090 -0.068 0.000 1.302 69 c CA -0.493 55.810 56.329 -0.042 0.000 1.973 69 c CB -0.878 41.637 42.510 0.008 0.000 2.715 69 c HN 0.769 nan 8.230 nan 0.000 0.628 70 Y N 2.705 122.870 120.300 -0.225 0.000 2.411 70 Y HA 0.401 4.957 4.550 0.010 0.000 0.333 70 Y C 0.482 176.395 175.900 0.021 0.000 1.186 70 Y CA 0.738 58.710 58.100 -0.213 0.000 1.381 70 Y CB 0.368 38.496 38.460 -0.553 0.000 1.273 70 Y HN 0.772 nan 8.280 nan 0.000 0.546 71 Q N 4.781 124.794 119.800 0.355 0.000 2.774 71 Q HA 0.087 4.433 4.340 0.010 0.000 0.232 71 Q C -2.212 173.943 176.000 0.259 0.000 0.985 71 Q CA -0.932 55.032 55.803 0.267 0.000 1.058 71 Q CB 0.121 28.921 28.738 0.103 0.000 1.789 71 Q HN 0.769 nan 8.270 nan 0.000 0.487 72 Y N 2.975 123.435 120.300 0.267 0.000 2.526 72 Y HA 0.402 4.958 4.550 0.009 0.000 0.330 72 Y C -0.892 175.090 175.900 0.136 0.000 1.156 72 Y CA 0.220 58.447 58.100 0.211 0.000 1.419 72 Y CB 0.922 39.529 38.460 0.245 0.000 1.250 72 Y HN 0.492 nan 8.280 nan 0.000 0.540 73 V N 7.063 126.622 119.914 -0.593 0.000 2.394 73 V HA 0.066 4.192 4.120 0.010 0.000 0.282 73 V C -0.023 175.608 176.094 -0.771 0.000 1.031 73 V CA -1.065 60.942 62.300 -0.488 0.000 0.881 73 V CB 1.310 32.956 31.823 -0.294 0.000 0.982 73 V HN 0.782 nan 8.190 nan 0.000 0.451 74 D N 3.566 123.742 120.400 -0.374 0.000 2.425 74 D HA 0.067 4.712 4.640 0.010 0.000 0.247 74 D C 0.685 176.932 176.300 -0.089 0.000 1.147 74 D CA 0.438 54.347 54.000 -0.152 0.000 0.879 74 D CB 1.535 42.413 40.800 0.130 0.000 1.179 74 D HN 0.770 nan 8.370 nan 0.000 0.456 75 T N 1.284 115.813 114.554 -0.042 0.000 3.111 75 T HA -0.005 4.351 4.350 0.010 0.000 0.284 75 T C 1.674 176.362 174.700 -0.019 0.000 0.983 75 T CA -0.442 61.646 62.100 -0.020 0.000 0.900 75 T CB 0.161 69.002 68.868 -0.045 0.000 1.132 75 T HN 0.239 nan 8.240 nan 0.000 0.531 76 L N 0.957 122.165 121.223 -0.026 0.000 2.043 76 L HA 0.057 4.403 4.340 0.010 0.000 0.212 76 L C -0.216 176.383 176.870 -0.451 0.000 1.075 76 L CA 1.749 56.419 54.840 -0.283 0.000 0.752 76 L CB -0.477 41.321 42.059 -0.435 0.000 0.891 76 L HN 0.417 nan 8.230 nan 0.000 0.432 77 Y N 0.294 120.623 120.300 0.049 0.000 2.662 77 Y HA 0.397 4.953 4.550 0.010 0.000 0.358 77 Y C -2.221 173.716 175.900 0.063 0.000 1.041 77 Y CA -3.425 54.675 58.100 -0.001 0.000 1.184 77 Y CB -0.091 38.306 38.460 -0.104 0.000 1.114 77 Y HN 0.103 nan 8.280 nan 0.000 0.650 78 P HA 0.207 nan 4.420 nan 0.000 0.271 78 P C 0.957 178.307 177.300 0.083 0.000 1.233 78 P CA 0.989 64.141 63.100 0.086 0.000 0.764 78 P CB 1.443 33.164 31.700 0.035 0.000 0.825 79 G N 2.958 111.794 108.800 0.060 0.000 2.213 79 G HA2 -0.264 3.701 3.960 0.010 0.000 0.236 79 G HA3 -0.264 3.701 3.960 0.010 0.000 0.236 79 G C -0.260 174.663 174.900 0.038 0.000 0.991 79 G CA -0.331 44.784 45.100 0.026 0.000 0.629 79 G HN 0.543 nan 8.290 nan 0.000 0.517 80 F N 2.463 122.356 119.950 -0.096 0.000 2.438 80 F HA 0.600 5.132 4.527 0.009 0.000 0.356 80 F C 1.380 177.059 175.800 -0.203 0.000 1.099 80 F CA -0.255 57.638 58.000 -0.177 0.000 1.185 80 F CB 1.374 40.246 39.000 -0.213 0.000 1.115 80 F HN 0.227 nan 8.300 nan 0.000 0.526 81 E N 3.891 123.591 120.200 -0.834 0.000 2.153 81 E HA -0.067 4.289 4.350 0.010 0.000 0.194 81 E C 2.095 178.151 176.600 -0.908 0.000 0.988 81 E CA 1.530 57.492 56.400 -0.729 0.000 0.811 81 E CB -0.392 28.976 29.700 -0.553 0.000 0.746 81 E HN 0.938 nan 8.360 nan 0.000 0.466 82 G N -0.299 107.431 108.800 -1.784 0.000 2.462 82 G HA2 -0.311 3.655 3.960 0.010 0.000 0.220 82 G HA3 -0.311 3.655 3.960 0.010 0.000 0.220 82 G C 1.675 176.519 174.900 -0.093 0.000 1.121 82 G CA 1.564 45.960 45.100 -1.173 0.000 0.758 82 G HN 0.493 nan 8.290 nan 0.000 0.559 83 T N -2.244 112.253 114.554 -0.095 0.000 3.046 83 T HA 0.134 4.490 4.350 0.010 0.000 0.242 83 T C 1.901 176.673 174.700 0.120 0.000 1.018 83 T CA 0.688 63.004 62.100 0.359 0.000 1.131 83 T CB 0.007 69.176 68.868 0.502 0.000 0.904 83 T HN 0.104 nan 8.240 nan 0.000 0.459 84 E N 2.310 122.464 120.200 -0.076 0.000 2.204 84 E HA -0.106 4.250 4.350 0.010 0.000 0.195 84 E C 2.236 178.692 176.600 -0.240 0.000 0.990 84 E CA 1.311 57.634 56.400 -0.128 0.000 0.821 84 E CB -0.514 29.096 29.700 -0.150 0.000 0.750 84 E HN 0.795 nan 8.360 nan 0.000 0.477 85 M N -2.244 117.113 119.600 -0.405 0.000 2.446 85 M HA -0.094 4.392 4.480 0.010 0.000 0.263 85 M C 1.251 177.120 176.300 -0.718 0.000 1.066 85 M CA 1.471 56.385 55.300 -0.643 0.000 1.087 85 M CB -0.530 31.546 32.600 -0.874 0.000 1.406 85 M HN 0.016 nan 8.290 nan 0.000 0.459 86 W N 0.800 121.999 121.300 -0.169 0.000 3.107 86 W HA 0.290 4.956 4.660 0.009 0.000 0.293 86 W C 0.408 176.808 176.519 -0.199 0.000 1.239 86 W CA -1.028 56.200 57.345 -0.195 0.000 1.653 86 W CB -0.099 29.287 29.460 -0.124 0.000 1.068 86 W HN 0.111 nan 8.180 nan 0.000 0.615 87 N N 1.428 120.116 118.700 -0.021 0.000 2.424 87 N HA 0.148 4.894 4.740 0.010 0.000 0.257 87 N C -2.415 173.007 175.510 -0.146 0.000 1.250 87 N CA -1.545 51.459 53.050 -0.076 0.000 0.946 87 N CB -0.173 38.266 38.487 -0.080 0.000 1.175 87 N HN -0.340 nan 8.380 nan 0.000 0.477 88 P HA 0.076 nan 4.420 nan 0.000 0.265 88 P C 0.166 177.359 177.300 -0.180 0.000 1.193 88 P CA 0.051 63.038 63.100 -0.188 0.000 0.765 88 P CB 0.346 31.931 31.700 -0.192 0.000 0.823 89 N N 2.071 120.655 118.700 -0.192 0.000 2.187 89 N HA 0.072 4.818 4.740 0.010 0.000 0.212 89 N C 0.092 175.521 175.510 -0.135 0.000 1.152 89 N CA 0.011 52.959 53.050 -0.170 0.000 0.872 89 N CB 0.431 38.800 38.487 -0.197 0.000 1.025 89 N HN 0.144 nan 8.380 nan 0.000 0.514 90 R N 0.179 120.597 120.500 -0.138 0.000 2.905 90 R HA 0.303 4.649 4.340 0.010 0.000 0.260 90 R C -0.447 175.777 176.300 -0.126 0.000 1.086 90 R CA -0.739 55.296 56.100 -0.109 0.000 0.978 90 R CB 0.550 30.797 30.300 -0.088 0.000 1.215 90 R HN 0.233 nan 8.270 nan 0.000 0.480 91 E N 1.301 121.433 120.200 -0.113 0.000 2.502 91 E HA -0.027 4.329 4.350 0.010 0.000 0.261 91 E C -0.495 176.011 176.600 -0.157 0.000 0.974 91 E CA 0.056 56.382 56.400 -0.124 0.000 0.936 91 E CB 0.503 30.146 29.700 -0.095 0.000 0.926 91 E HN 0.255 nan 8.360 nan 0.000 0.459 92 L N 3.678 124.767 121.223 -0.223 0.000 2.360 92 L HA 0.193 4.539 4.340 0.010 0.000 0.276 92 L C 0.321 177.079 176.870 -0.186 0.000 1.121 92 L CA 0.048 54.684 54.840 -0.340 0.000 0.845 92 L CB 1.050 42.676 42.059 -0.721 0.000 1.143 92 L HN 0.385 nan 8.230 nan 0.000 0.452 93 S N 1.485 117.141 115.700 -0.073 0.000 2.550 93 S HA 0.251 4.727 4.470 0.010 0.000 0.270 93 S C 0.355 174.967 174.600 0.019 0.000 1.145 93 S CA -0.662 57.571 58.200 0.055 0.000 0.852 93 S CB 1.806 65.008 63.200 0.004 0.000 1.119 93 S HN 0.735 nan 8.310 nan 0.000 0.465 94 E N 0.775 120.952 120.200 -0.039 0.000 2.274 94 E HA -0.047 4.309 4.350 0.010 0.000 0.194 94 E C -0.357 176.191 176.600 -0.087 0.000 0.996 94 E CA 0.420 56.717 56.400 -0.171 0.000 0.840 94 E CB 0.131 29.682 29.700 -0.248 0.000 0.772 94 E HN 0.545 nan 8.360 nan 0.000 0.491 95 D N 0.226 120.610 120.400 -0.025 0.000 2.455 95 D HA -0.021 4.625 4.640 0.010 0.000 0.234 95 D C 0.056 176.446 176.300 0.150 0.000 1.224 95 D CA -0.137 53.885 54.000 0.036 0.000 0.999 95 D CB -0.024 40.810 40.800 0.056 0.000 1.072 95 D HN 0.154 nan 8.370 nan 0.000 0.514 96 c N 2.344 121.016 118.600 0.120 0.000 4.015 96 c HA 0.358 4.934 4.570 0.010 0.000 0.323 96 c C 0.691 174.903 174.090 0.203 0.000 1.724 96 c CA -0.646 55.810 56.329 0.211 0.000 1.828 96 c CB -1.187 41.365 42.510 0.070 0.000 3.083 96 c HN 0.412 nan 8.230 nan 0.000 0.640 97 L N 2.519 123.628 121.223 -0.189 0.000 2.395 97 L HA 0.394 4.740 4.340 0.010 0.000 0.268 97 L C -0.892 175.400 176.870 -0.963 0.000 1.223 97 L CA 0.556 55.045 54.840 -0.584 0.000 1.093 97 L CB -0.741 40.841 42.059 -0.795 0.000 1.349 97 L HN 0.394 nan 8.230 nan 0.000 0.427 98 Y N 1.952 122.211 120.300 -0.068 0.000 2.576 98 Y HA 0.658 5.214 4.550 0.009 0.000 0.346 98 Y C -0.088 176.021 175.900 0.348 0.000 1.018 98 Y CA -1.212 56.943 58.100 0.090 0.000 1.050 98 Y CB 2.062 40.533 38.460 0.018 0.000 1.280 98 Y HN 0.206 nan 8.280 nan 0.000 0.474 99 L N -0.327 121.092 121.223 0.326 0.000 2.303 99 L HA 0.783 5.129 4.340 0.010 0.000 0.256 99 L C -1.394 175.488 176.870 0.020 0.000 1.034 99 L CA -1.174 53.733 54.840 0.111 0.000 0.832 99 L CB 1.764 43.693 42.059 -0.217 0.000 1.403 99 L HN 0.481 nan 8.230 nan 0.000 0.419 100 N N -0.022 118.688 118.700 0.017 0.000 2.238 100 N HA 0.736 5.482 4.740 0.010 0.000 0.302 100 N C -1.542 173.885 175.510 -0.138 0.000 1.072 100 N CA -0.414 52.573 53.050 -0.106 0.000 0.792 100 N CB 2.871 41.330 38.487 -0.046 0.000 1.425 100 N HN 0.512 nan 8.380 nan 0.000 0.478 101 V N 1.414 121.164 119.914 -0.272 0.000 2.577 101 V HA 0.460 4.586 4.120 0.010 0.000 0.303 101 V C -0.884 175.148 176.094 -0.104 0.000 1.042 101 V CA -0.773 61.454 62.300 -0.122 0.000 0.872 101 V CB 2.283 33.893 31.823 -0.354 0.000 0.998 101 V HN 0.555 nan 8.190 nan 0.000 0.423 102 W N 3.042 124.438 121.300 0.159 0.000 2.529 102 W HA 0.670 5.336 4.660 0.011 0.000 0.321 102 W C 0.168 176.796 176.519 0.181 0.000 1.047 102 W CA -0.419 57.029 57.345 0.172 0.000 1.216 102 W CB 2.424 31.965 29.460 0.136 0.000 1.357 102 W HN 0.657 nan 8.180 nan 0.000 0.489 103 T N 0.511 115.317 114.554 0.421 0.000 2.901 103 T HA 0.543 4.899 4.350 0.010 0.000 0.293 103 T C -2.800 172.077 174.700 0.296 0.000 1.084 103 T CA -2.489 59.812 62.100 0.335 0.000 1.008 103 T CB 2.394 71.470 68.868 0.346 0.000 1.170 103 T HN -0.093 nan 8.240 nan 0.000 0.509 104 P HA 0.177 nan 4.420 nan 0.000 0.269 104 P C -1.564 175.885 177.300 0.248 0.000 1.217 104 P CA -0.078 63.144 63.100 0.203 0.000 0.783 104 P CB 0.075 31.861 31.700 0.145 0.000 0.898 105 Y N 2.804 123.162 120.300 0.097 0.000 2.331 105 Y HA 0.429 4.985 4.550 0.009 0.000 0.334 105 Y C -2.171 173.766 175.900 0.061 0.000 0.960 105 Y CA -2.498 55.652 58.100 0.084 0.000 1.130 105 Y CB 1.225 39.725 38.460 0.066 0.000 1.164 105 Y HN 0.334 nan 8.280 nan 0.000 0.458 106 P HA 0.212 nan 4.420 nan 0.000 0.274 106 P C -0.867 176.396 177.300 -0.063 0.000 1.246 106 P CA -0.372 62.532 63.100 -0.327 0.000 0.795 106 P CB 1.047 32.578 31.700 -0.282 0.000 1.006 107 R N 0.970 121.448 120.500 -0.035 0.000 2.638 107 R HA 0.094 4.440 4.340 0.010 0.000 0.268 107 R C -1.770 174.553 176.300 0.039 0.000 1.006 107 R CA -0.830 55.305 56.100 0.058 0.000 1.088 107 R CB -1.000 29.343 30.300 0.070 0.000 0.950 107 R HN 0.438 nan 8.270 nan 0.000 0.419 108 P HA -0.081 nan 4.420 nan 0.000 0.266 108 P C -0.133 177.184 177.300 0.027 0.000 1.193 108 P CA 0.287 63.417 63.100 0.049 0.000 0.770 108 P CB 0.682 32.420 31.700 0.064 0.000 0.836 109 A N 2.471 125.302 122.820 0.018 0.000 1.854 109 A HA -0.007 4.319 4.320 0.010 0.000 0.214 109 A C 1.000 178.588 177.584 0.007 0.000 1.192 109 A CA 1.644 53.686 52.037 0.007 0.000 0.611 109 A CB -0.967 18.036 19.000 0.005 0.000 0.832 109 A HN 0.649 nan 8.150 nan 0.000 0.442 110 S N -0.613 115.094 115.700 0.011 0.000 2.593 110 S HA 0.618 5.094 4.470 0.010 0.000 0.297 110 S C -3.089 171.520 174.600 0.014 0.000 1.112 110 S CA -1.800 56.404 58.200 0.007 0.000 1.043 110 S CB 1.053 64.255 63.200 0.004 0.000 1.054 110 S HN 0.052 nan 8.310 nan 0.000 0.516 111 P HA 0.224 nan 4.420 nan 0.000 0.263 111 P C -0.681 176.630 177.300 0.019 0.000 1.195 111 P CA 0.186 63.296 63.100 0.016 0.000 0.762 111 P CB 0.213 31.915 31.700 0.003 0.000 0.799 112 T N 5.413 119.990 114.554 0.038 0.000 2.824 112 T HA 0.401 4.757 4.350 0.010 0.000 0.280 112 T C -2.432 172.294 174.700 0.043 0.000 0.995 112 T CA -1.906 60.219 62.100 0.041 0.000 1.009 112 T CB 0.836 69.742 68.868 0.063 0.000 0.955 112 T HN 0.138 nan 8.240 nan 0.000 0.452 113 P HA 0.124 nan 4.420 nan 0.000 0.262 113 P C -0.802 176.536 177.300 0.064 0.000 1.182 113 P CA -0.141 62.976 63.100 0.028 0.000 0.761 113 P CB 0.342 32.042 31.700 -0.000 0.000 0.795 114 V N 5.535 125.503 119.914 0.089 0.000 2.427 114 V HA 0.314 4.440 4.120 0.010 0.000 0.286 114 V C 0.389 176.571 176.094 0.147 0.000 1.034 114 V CA -0.409 61.970 62.300 0.131 0.000 0.893 114 V CB 1.132 33.044 31.823 0.148 0.000 0.982 114 V HN 0.363 nan 8.190 nan 0.000 0.452 115 L N 5.787 127.117 121.223 0.179 0.000 2.333 115 L HA 0.601 4.947 4.340 0.010 0.000 0.280 115 L C -0.743 176.362 176.870 0.392 0.000 1.004 115 L CA -0.320 54.657 54.840 0.229 0.000 0.820 115 L CB 1.807 43.925 42.059 0.097 0.000 1.247 115 L HN 0.513 nan 8.230 nan 0.000 0.416 116 I N 3.168 123.997 120.570 0.433 0.000 2.355 116 I HA 0.218 4.394 4.170 0.010 0.000 0.288 116 I C -0.581 175.806 176.117 0.451 0.000 0.999 116 I CA -0.330 61.198 61.300 0.381 0.000 1.163 116 I CB 1.266 39.376 38.000 0.183 0.000 1.316 116 I HN 0.601 nan 8.210 nan 0.000 0.454 117 W N 8.430 129.829 121.300 0.164 0.000 2.365 117 W HA 0.573 5.238 4.660 0.008 0.000 0.316 117 W C -1.441 174.982 176.519 -0.160 0.000 1.164 117 W CA -0.628 56.607 57.345 -0.184 0.000 1.204 117 W CB 1.112 30.504 29.460 -0.114 0.000 1.213 117 W HN 0.335 nan 8.180 nan 0.000 0.539 118 I N 8.893 128.791 120.570 -1.120 0.000 2.420 118 I HA 0.073 4.249 4.170 0.010 0.000 0.282 118 I C -0.343 174.931 176.117 -1.405 0.000 1.019 118 I CA -1.121 59.574 61.300 -1.009 0.000 1.130 118 I CB 0.715 38.301 38.000 -0.689 0.000 1.262 118 I HN 0.311 nan 8.210 nan 0.000 0.454 119 Y N 4.389 124.166 120.300 -0.871 0.000 2.426 119 Y HA 0.637 5.192 4.550 0.009 0.000 0.344 119 Y C 0.826 176.527 175.900 -0.332 0.000 1.256 119 Y CA -0.655 57.069 58.100 -0.628 0.000 1.451 119 Y CB -0.050 38.286 38.460 -0.207 0.000 1.342 119 Y HN 0.534 nan 8.280 nan 0.000 0.600 120 G N -0.739 108.053 108.800 -0.014 0.000 2.531 120 G HA2 0.479 4.444 3.960 0.010 0.000 0.281 120 G HA3 0.479 4.444 3.960 0.010 0.000 0.281 120 G C 0.351 175.195 174.900 -0.094 0.000 1.382 120 G CA -0.907 44.124 45.100 -0.114 0.000 1.045 120 G HN 1.762 nan 8.290 nan 0.000 0.533 121 G N -2.797 105.806 108.800 -0.329 0.000 2.188 121 G HA2 0.383 4.349 3.960 0.010 0.000 0.112 121 G HA3 0.383 4.349 3.960 0.010 0.000 0.112 121 G C 1.099 175.546 174.900 -0.754 0.000 1.048 121 G CA 0.690 45.480 45.100 -0.517 0.000 0.720 121 G HN 2.377 nan 8.290 nan 0.000 0.487 122 G N -0.623 107.711 108.800 -0.777 0.000 2.187 122 G HA2 -0.119 3.847 3.960 0.010 0.000 0.261 122 G HA3 -0.119 3.847 3.960 0.010 0.000 0.261 122 G C 0.910 175.554 174.900 -0.426 0.000 1.000 122 G CA 0.819 45.173 45.100 -1.242 0.000 0.718 122 G HN 1.827 nan 8.290 nan 0.000 0.519 123 F N -3.262 116.582 119.950 -0.177 0.000 2.973 123 F HA -0.326 4.207 4.527 0.009 0.000 0.299 123 F C 1.458 177.386 175.800 0.213 0.000 0.737 123 F CA 2.243 60.256 58.000 0.022 0.000 1.151 123 F CB -2.085 36.785 39.000 -0.217 0.000 1.440 123 F HN 0.914 nan 8.300 nan 0.000 0.367 124 Y N -1.362 119.058 120.300 0.200 0.000 2.471 124 Y HA 0.634 5.189 4.550 0.009 0.000 0.249 124 Y C 0.636 176.661 175.900 0.208 0.000 1.116 124 Y CA 0.321 58.588 58.100 0.279 0.000 1.240 124 Y CB 0.044 38.676 38.460 0.287 0.000 1.251 124 Y HN 0.078 nan 8.280 nan 0.000 0.527 125 S N -0.609 114.745 115.700 -0.577 0.000 2.688 125 S HA 0.900 5.376 4.470 0.010 0.000 0.275 125 S C -0.166 174.237 174.600 -0.329 0.000 1.175 125 S CA -0.491 57.438 58.200 -0.452 0.000 0.818 125 S CB 1.527 64.327 63.200 -0.666 0.000 1.157 125 S HN 1.356 nan 8.310 nan 0.000 0.482 126 G N -0.718 107.858 108.800 -0.374 0.000 2.459 126 G HA2 0.550 4.516 3.960 0.010 0.000 0.685 126 G HA3 0.550 4.516 3.960 0.010 0.000 0.685 126 G C -0.696 173.524 174.900 -1.133 0.000 1.303 126 G CA -0.211 44.487 45.100 -0.670 0.000 0.907 126 G HN 2.212 nan 8.290 nan 0.000 0.632 127 A N -1.081 120.905 122.820 -1.390 0.000 2.594 127 A HA 0.989 5.315 4.320 0.010 0.000 0.296 127 A C 0.502 177.872 177.584 -0.357 0.000 1.056 127 A CA 0.597 52.128 52.037 -0.842 0.000 0.693 127 A CB 0.906 19.667 19.000 -0.397 0.000 1.278 127 A HN 2.587 nan 8.150 nan 0.000 0.408 128 A N 0.425 123.293 122.820 0.080 0.000 2.238 128 A HA 0.308 4.634 4.320 0.010 0.000 0.208 128 A C 1.597 179.216 177.584 0.058 0.000 1.177 128 A CA 1.601 53.853 52.037 0.359 0.000 0.804 128 A CB -0.561 18.724 19.000 0.476 0.000 0.823 128 A HN 1.766 nan 8.150 nan 0.000 0.482 129 S N -0.550 114.949 115.700 -0.336 0.000 2.535 129 S HA 0.303 4.779 4.470 0.010 0.000 0.214 129 S C 0.511 174.660 174.600 -0.751 0.000 0.980 129 S CA -0.448 57.089 58.200 -1.105 0.000 0.907 129 S CB -0.564 61.960 63.200 -1.128 0.000 0.790 129 S HN 0.382 nan 8.310 nan 0.000 0.510 130 L N 2.469 123.422 121.223 -0.450 0.000 2.514 130 L HA 0.092 4.438 4.340 0.010 0.000 0.280 130 L C 1.260 177.812 176.870 -0.529 0.000 1.223 130 L CA -0.362 54.163 54.840 -0.524 0.000 0.864 130 L CB 0.132 41.762 42.059 -0.716 0.000 1.118 130 L HN 0.057 nan 8.230 nan 0.000 0.494 131 D N 1.281 121.408 120.400 -0.455 0.000 2.172 131 D HA -0.164 4.482 4.640 0.010 0.000 0.196 131 D C 1.928 177.970 176.300 -0.430 0.000 0.999 131 D CA 1.525 55.316 54.000 -0.349 0.000 0.856 131 D CB -0.025 40.596 40.800 -0.298 0.000 0.934 131 D HN 0.540 nan 8.370 nan 0.000 0.453 132 V N -1.657 117.856 119.914 -0.667 0.000 3.305 132 V HA -0.116 4.010 4.120 0.010 0.000 0.269 132 V C 1.033 176.570 176.094 -0.927 0.000 1.157 132 V CA 0.934 62.809 62.300 -0.707 0.000 1.157 132 V CB -1.088 30.291 31.823 -0.739 0.000 0.772 132 V HN 0.085 nan 8.190 nan 0.000 0.498 133 Y N 0.108 119.884 120.300 -0.874 0.000 2.524 133 Y HA 0.430 4.986 4.550 0.009 0.000 0.266 133 Y C 0.908 176.237 175.900 -0.951 0.000 1.180 133 Y CA -1.874 55.370 58.100 -1.427 0.000 1.244 133 Y CB -0.757 37.226 38.460 -0.795 0.000 1.125 133 Y HN 0.247 nan 8.280 nan 0.000 0.524 134 D N 0.947 121.076 120.400 -0.451 0.000 2.426 134 D HA 0.018 4.664 4.640 0.010 0.000 0.261 134 D C 1.429 177.426 176.300 -0.504 0.000 1.245 134 D CA 0.535 54.328 54.000 -0.345 0.000 0.917 134 D CB 1.154 41.898 40.800 -0.094 0.000 1.123 134 D HN 0.454 nan 8.370 nan 0.000 0.508 135 G N 4.060 111.951 108.800 -1.515 0.000 2.920 135 G HA2 -0.177 3.789 3.960 0.010 0.000 0.208 135 G HA3 -0.177 3.789 3.960 0.010 0.000 0.208 135 G C 1.506 175.855 174.900 -0.919 0.000 1.159 135 G CA 0.349 44.762 45.100 -1.145 0.000 0.784 135 G HN 0.636 nan 8.290 nan 0.000 0.535 136 R N -0.439 119.451 120.500 -1.017 0.000 2.105 136 R HA -0.089 4.257 4.340 0.010 0.000 0.239 136 R C 1.758 177.782 176.300 -0.460 0.000 1.135 136 R CA 1.607 57.350 56.100 -0.594 0.000 0.967 136 R CB -0.758 29.207 30.300 -0.558 0.000 0.861 136 R HN 0.344 nan 8.270 nan 0.000 0.442 137 F N 1.275 121.139 119.950 -0.142 0.000 2.163 137 F HA 0.073 4.606 4.527 0.010 0.000 0.297 137 F C 2.308 178.051 175.800 -0.094 0.000 1.094 137 F CA 0.649 58.588 58.000 -0.101 0.000 1.290 137 F CB -0.487 38.443 39.000 -0.117 0.000 1.017 137 F HN -0.129 nan 8.300 nan 0.000 0.483 138 L N -0.040 121.216 121.223 0.054 0.000 2.083 138 L HA -0.180 4.166 4.340 0.010 0.000 0.209 138 L C 2.745 179.624 176.870 0.015 0.000 1.083 138 L CA 1.074 55.905 54.840 -0.014 0.000 0.752 138 L CB -0.901 41.099 42.059 -0.099 0.000 0.899 138 L HN 0.189 nan 8.230 nan 0.000 0.433 139 A N -0.847 121.987 122.820 0.024 0.000 1.877 139 A HA -0.256 4.069 4.320 0.010 0.000 0.216 139 A C 2.289 179.921 177.584 0.080 0.000 1.186 139 A CA 1.721 53.811 52.037 0.090 0.000 0.620 139 A CB -0.517 18.583 19.000 0.167 0.000 0.822 139 A HN 0.392 nan 8.150 nan 0.000 0.443 140 Q N -0.287 119.544 119.800 0.051 0.000 2.096 140 Q HA -0.042 4.304 4.340 0.010 0.000 0.197 140 Q C 2.122 178.154 176.000 0.053 0.000 0.964 140 Q CA 1.849 57.685 55.803 0.055 0.000 0.838 140 Q CB -0.150 28.603 28.738 0.026 0.000 0.906 140 Q HN 0.413 nan 8.270 nan 0.000 0.444 141 V N 1.065 121.009 119.914 0.050 0.000 2.500 141 V HA -0.071 4.055 4.120 0.010 0.000 0.243 141 V C 1.754 177.863 176.094 0.025 0.000 1.039 141 V CA 1.329 63.653 62.300 0.039 0.000 1.053 141 V CB -0.071 31.774 31.823 0.038 0.000 0.695 141 V HN 0.201 nan 8.190 nan 0.000 0.463 142 E N -0.122 120.091 120.200 0.023 0.000 2.472 142 E HA 0.185 4.541 4.350 0.010 0.000 0.196 142 E C 1.746 178.364 176.600 0.030 0.000 1.033 142 E CA 0.754 57.164 56.400 0.015 0.000 0.886 142 E CB 0.557 30.256 29.700 -0.001 0.000 0.944 142 E HN 0.588 nan 8.360 nan 0.000 0.492 143 G N 1.602 110.430 108.800 0.047 0.000 2.153 143 G HA2 -0.312 3.654 3.960 0.010 0.000 0.252 143 G HA3 -0.312 3.654 3.960 0.010 0.000 0.252 143 G C 0.517 175.461 174.900 0.073 0.000 0.994 143 G CA 0.392 45.530 45.100 0.062 0.000 0.698 143 G HN 0.489 nan 8.290 nan 0.000 0.521 144 A N -0.740 122.122 122.820 0.070 0.000 2.351 144 A HA 0.711 5.037 4.320 0.010 0.000 0.257 144 A C 0.499 178.163 177.584 0.133 0.000 1.087 144 A CA 0.161 52.245 52.037 0.080 0.000 0.798 144 A CB 1.146 20.174 19.000 0.048 0.000 1.033 144 A HN 1.130 nan 8.150 nan 0.000 0.488 145 V N 2.729 122.730 119.914 0.145 0.000 2.364 145 V HA 0.341 4.467 4.120 0.010 0.000 0.272 145 V C -0.102 176.127 176.094 0.225 0.000 1.036 145 V CA -0.055 62.361 62.300 0.193 0.000 0.880 145 V CB 0.593 32.518 31.823 0.170 0.000 0.991 145 V HN 0.711 nan 8.190 nan 0.000 0.460 146 L N 6.146 127.559 121.223 0.315 0.000 2.322 146 L HA 0.761 5.107 4.340 0.010 0.000 0.281 146 L C -0.817 176.341 176.870 0.481 0.000 1.014 146 L CA -0.287 54.789 54.840 0.393 0.000 0.815 146 L CB 1.878 44.162 42.059 0.375 0.000 1.247 146 L HN 0.431 nan 8.230 nan 0.000 0.421 147 V N 3.092 123.264 119.914 0.429 0.000 2.588 147 V HA 0.670 4.795 4.120 0.010 0.000 0.304 147 V C -0.586 175.753 176.094 0.408 0.000 1.042 147 V CA -0.444 62.066 62.300 0.350 0.000 0.877 147 V CB 2.064 34.016 31.823 0.215 0.000 0.996 147 V HN 0.843 nan 8.190 nan 0.000 0.425 148 S N 5.412 121.356 115.700 0.407 0.000 2.541 148 S HA 0.876 5.352 4.470 0.010 0.000 0.280 148 S C -0.825 173.934 174.600 0.266 0.000 1.112 148 S CA -0.819 57.622 58.200 0.402 0.000 0.925 148 S CB 2.252 65.824 63.200 0.619 0.000 1.067 148 S HN 0.861 nan 8.310 nan 0.000 0.479 149 M N 1.436 121.153 119.600 0.195 0.000 2.602 149 M HA 0.645 5.131 4.480 0.010 0.000 0.312 149 M C -1.655 174.876 176.300 0.386 0.000 1.181 149 M CA -0.529 54.887 55.300 0.193 0.000 0.910 149 M CB 1.219 33.772 32.600 -0.078 0.000 1.723 149 M HN 0.549 nan 8.290 nan 0.000 0.459 150 N N 2.595 121.586 118.700 0.484 0.000 2.518 150 N HA 0.579 5.325 4.740 0.010 0.000 0.283 150 N C -1.408 174.396 175.510 0.490 0.000 1.119 150 N CA 0.109 53.459 53.050 0.500 0.000 0.983 150 N CB 0.601 39.307 38.487 0.364 0.000 1.139 150 N HN 0.711 nan 8.380 nan 0.000 0.465 151 Y N -1.867 118.597 120.300 0.272 0.000 2.524 151 Y HA 0.561 5.117 4.550 0.010 0.000 0.347 151 Y C -0.094 175.937 175.900 0.217 0.000 1.005 151 Y CA -1.330 56.888 58.100 0.197 0.000 1.025 151 Y CB 0.891 39.408 38.460 0.095 0.000 1.275 151 Y HN 0.209 nan 8.280 nan 0.000 0.460 152 R N 1.900 122.507 120.500 0.179 0.000 2.537 152 R HA 0.488 4.834 4.340 0.010 0.000 0.280 152 R C -0.252 176.162 176.300 0.190 0.000 1.058 152 R CA -0.104 56.067 56.100 0.117 0.000 1.057 152 R CB 0.782 31.134 30.300 0.088 0.000 0.973 152 R HN 0.728 nan 8.270 nan 0.000 0.438 153 V N -0.327 119.755 119.914 0.281 0.000 3.181 153 V HA 0.880 5.005 4.120 0.010 0.000 0.314 153 V C 0.750 177.188 176.094 0.573 0.000 1.173 153 V CA -0.178 62.416 62.300 0.489 0.000 1.052 153 V CB 1.143 33.149 31.823 0.305 0.000 1.123 153 V HN 0.968 nan 8.190 nan 0.000 0.454 154 G N 1.611 110.807 108.800 0.660 0.000 2.574 154 G HA2 -0.290 3.676 3.960 0.010 0.000 0.282 154 G HA3 -0.290 3.676 3.960 0.010 0.000 0.282 154 G C 0.990 176.087 174.900 0.330 0.000 1.257 154 G CA 1.541 46.980 45.100 0.564 0.000 0.956 154 G HN 2.317 nan 8.290 nan 0.000 0.560 155 T N -1.634 112.829 114.554 -0.153 0.000 2.720 155 T HA -0.123 4.233 4.350 0.010 0.000 0.268 155 T C 2.126 176.695 174.700 -0.218 0.000 1.037 155 T CA 2.599 64.330 62.100 -0.616 0.000 1.144 155 T CB -0.425 67.925 68.868 -0.863 0.000 0.864 155 T HN 0.565 nan 8.240 nan 0.000 0.444 156 F N 2.254 122.268 119.950 0.108 0.000 2.171 156 F HA 0.190 4.723 4.527 0.009 0.000 0.300 156 F C 2.821 178.627 175.800 0.010 0.000 1.090 156 F CA 0.849 58.875 58.000 0.044 0.000 1.293 156 F CB -1.041 37.954 39.000 -0.008 0.000 1.013 156 F HN 0.356 nan 8.300 nan 0.000 0.486 157 G N -1.877 107.011 108.800 0.146 0.000 2.539 157 G HA2 -0.029 3.937 3.960 0.010 0.000 0.215 157 G HA3 -0.029 3.937 3.960 0.010 0.000 0.215 157 G C 0.988 175.430 174.900 -0.764 0.000 1.141 157 G CA 0.426 45.332 45.100 -0.324 0.000 0.806 157 G HN 0.367 nan 8.290 nan 0.000 0.533 158 F N -0.980 119.081 119.950 0.184 0.000 2.925 158 F HA 0.412 4.945 4.527 0.010 0.000 0.359 158 F C 0.572 176.475 175.800 0.171 0.000 1.038 158 F CA -0.998 57.096 58.000 0.157 0.000 1.130 158 F CB 0.240 39.345 39.000 0.175 0.000 1.093 158 F HN -0.104 nan 8.300 nan 0.000 0.561 159 L N 2.341 123.659 121.223 0.158 0.000 2.601 159 L HA 0.398 4.744 4.340 0.010 0.000 0.277 159 L C -0.056 176.812 176.870 -0.004 0.000 1.219 159 L CA 0.049 54.888 54.840 -0.000 0.000 0.915 159 L CB 0.235 42.005 42.059 -0.482 0.000 1.160 159 L HN 0.146 nan 8.230 nan 0.000 0.494 160 A N 6.419 129.277 122.820 0.063 0.000 2.422 160 A HA 0.659 4.984 4.320 0.010 0.000 0.302 160 A C -1.029 176.550 177.584 -0.009 0.000 1.041 160 A CA -0.598 51.450 52.037 0.020 0.000 0.708 160 A CB 1.323 20.365 19.000 0.070 0.000 1.257 160 A HN 0.708 nan 8.150 nan 0.000 0.414 161 L N 3.279 124.480 121.223 -0.037 0.000 2.435 161 L HA 0.310 4.656 4.340 0.010 0.000 0.253 161 L C -2.440 174.426 176.870 -0.007 0.000 1.087 161 L CA -1.802 53.022 54.840 -0.028 0.000 0.950 161 L CB 1.377 43.406 42.059 -0.050 0.000 1.304 161 L HN 0.409 nan 8.230 nan 0.000 0.453 162 P HA 0.039 nan 4.420 nan 0.000 0.261 162 P C 0.958 178.265 177.300 0.011 0.000 1.183 162 P CA 0.878 63.986 63.100 0.013 0.000 0.761 162 P CB 0.860 32.568 31.700 0.013 0.000 0.785 163 G N 1.864 110.674 108.800 0.017 0.000 2.254 163 G HA2 -0.229 3.737 3.960 0.010 0.000 0.225 163 G HA3 -0.229 3.737 3.960 0.010 0.000 0.225 163 G C 0.457 175.366 174.900 0.015 0.000 1.003 163 G CA 0.197 45.306 45.100 0.016 0.000 0.622 163 G HN 0.784 nan 8.290 nan 0.000 0.507 164 S N -0.368 115.340 115.700 0.013 0.000 2.624 164 S HA 0.650 5.126 4.470 0.010 0.000 0.263 164 S C 1.071 175.686 174.600 0.024 0.000 1.287 164 S CA 0.675 58.883 58.200 0.013 0.000 0.990 164 S CB 2.034 65.236 63.200 0.003 0.000 0.950 164 S HN 0.563 nan 8.310 nan 0.000 0.561 165 R N 0.077 120.593 120.500 0.027 0.000 2.175 165 R HA 0.197 4.543 4.340 0.010 0.000 0.202 165 R C 1.595 177.923 176.300 0.047 0.000 1.018 165 R CA 0.832 56.954 56.100 0.036 0.000 1.029 165 R CB -0.252 30.068 30.300 0.034 0.000 0.959 165 R HN 0.798 nan 8.270 nan 0.000 0.480 166 E N -0.389 119.838 120.200 0.046 0.000 2.299 166 E HA 0.149 4.505 4.350 0.010 0.000 0.193 166 E C -0.250 176.406 176.600 0.093 0.000 0.998 166 E CA 0.977 57.419 56.400 0.071 0.000 0.851 166 E CB 0.816 30.555 29.700 0.064 0.000 0.795 166 E HN 0.293 nan 8.360 nan 0.000 0.492 167 A N 0.846 123.691 122.820 0.042 0.000 3.300 167 A HA 0.278 4.604 4.320 0.010 0.000 0.300 167 A C -2.165 175.430 177.584 0.018 0.000 1.099 167 A CA -0.942 51.107 52.037 0.019 0.000 0.846 167 A CB 0.488 19.403 19.000 -0.142 0.000 1.255 167 A HN -0.084 nan 8.150 nan 0.000 0.519 168 P HA 0.124 nan 4.420 nan 0.000 0.229 168 P C 0.949 178.278 177.300 0.048 0.000 1.160 168 P CA 1.811 64.939 63.100 0.046 0.000 0.777 168 P CB 0.167 31.903 31.700 0.060 0.000 0.814 169 G N 0.738 109.567 108.800 0.048 0.000 2.746 169 G HA2 -0.190 3.776 3.960 0.010 0.000 0.685 169 G HA3 -0.190 3.776 3.960 0.010 0.000 0.685 169 G C -0.111 174.806 174.900 0.028 0.000 1.350 169 G CA -0.288 44.845 45.100 0.055 0.000 0.837 169 G HN 0.158 nan 8.290 nan 0.000 0.564 170 N N -2.377 116.342 118.700 0.032 0.000 2.708 170 N HA -0.276 4.469 4.740 0.010 0.000 0.251 170 N C 1.798 177.193 175.510 -0.192 0.000 1.123 170 N CA 2.310 55.318 53.050 -0.071 0.000 0.739 170 N CB -1.632 36.730 38.487 -0.208 0.000 1.113 170 N HN 1.906 nan 8.380 nan 0.000 0.561 171 V N -3.028 116.764 119.914 -0.204 0.000 2.809 171 V HA 0.079 4.205 4.120 0.010 0.000 0.256 171 V C 2.268 178.255 176.094 -0.179 0.000 1.080 171 V CA 2.088 64.311 62.300 -0.129 0.000 1.102 171 V CB -0.679 31.116 31.823 -0.047 0.000 0.705 171 V HN 0.257 nan 8.190 nan 0.000 0.475 172 G N 0.446 108.951 108.800 -0.491 0.000 2.422 172 G HA2 -0.114 3.852 3.960 0.010 0.000 0.218 172 G HA3 -0.114 3.852 3.960 0.010 0.000 0.218 172 G C 1.531 176.455 174.900 0.041 0.000 1.140 172 G CA 1.056 46.012 45.100 -0.240 0.000 0.775 172 G HN 0.523 nan 8.290 nan 0.000 0.545 173 L N -0.160 121.026 121.223 -0.062 0.000 2.093 173 L HA 0.066 4.412 4.340 0.010 0.000 0.208 173 L C 2.846 179.757 176.870 0.068 0.000 1.085 173 L CA 0.413 55.174 54.840 -0.132 0.000 0.755 173 L CB -0.270 41.375 42.059 -0.690 0.000 0.904 173 L HN 0.189 nan 8.230 nan 0.000 0.435 174 L N -0.561 120.706 121.223 0.073 0.000 2.093 174 L HA -0.213 4.132 4.340 0.010 0.000 0.208 174 L C 2.242 179.244 176.870 0.221 0.000 1.085 174 L CA 0.956 55.928 54.840 0.220 0.000 0.755 174 L CB -0.676 41.487 42.059 0.173 0.000 0.904 174 L HN 0.293 nan 8.230 nan 0.000 0.435 175 D N 0.066 120.585 120.400 0.198 0.000 2.116 175 D HA -0.243 4.403 4.640 0.010 0.000 0.193 175 D C 2.239 178.722 176.300 0.304 0.000 0.998 175 D CA 1.346 55.537 54.000 0.319 0.000 0.836 175 D CB -0.251 40.746 40.800 0.329 0.000 0.951 175 D HN 0.431 nan 8.370 nan 0.000 0.449 176 Q N -0.048 119.856 119.800 0.174 0.000 2.079 176 Q HA -0.093 4.253 4.340 0.010 0.000 0.200 176 Q C 2.302 178.299 176.000 -0.006 0.000 0.974 176 Q CA 0.864 56.683 55.803 0.028 0.000 0.840 176 Q CB -0.033 28.706 28.738 0.001 0.000 0.898 176 Q HN 0.207 nan 8.270 nan 0.000 0.430 177 R N 0.568 121.160 120.500 0.155 0.000 2.081 177 R HA -0.173 4.173 4.340 0.010 0.000 0.235 177 R C 2.197 178.555 176.300 0.096 0.000 1.131 177 R CA 1.012 57.187 56.100 0.126 0.000 0.960 177 R CB -0.226 30.250 30.300 0.293 0.000 0.856 177 R HN 0.210 nan 8.270 nan 0.000 0.436 178 L N 0.735 122.054 121.223 0.160 0.000 2.046 178 L HA -0.077 4.269 4.340 0.010 0.000 0.208 178 L C 2.228 179.154 176.870 0.093 0.000 1.077 178 L CA 2.177 57.140 54.840 0.205 0.000 0.747 178 L CB -0.711 41.562 42.059 0.357 0.000 0.896 178 L HN 0.259 nan 8.230 nan 0.000 0.432 179 A N -0.833 121.847 122.820 -0.232 0.000 1.969 179 A HA -0.117 4.209 4.320 0.010 0.000 0.218 179 A C 2.214 179.720 177.584 -0.130 0.000 1.169 179 A CA 1.669 53.360 52.037 -0.577 0.000 0.635 179 A CB -0.697 17.695 19.000 -1.014 0.000 0.810 179 A HN 0.505 nan 8.150 nan 0.000 0.445 180 L N -1.107 120.071 121.223 -0.074 0.000 2.056 180 L HA -0.222 4.124 4.340 0.010 0.000 0.207 180 L C 2.821 179.741 176.870 0.082 0.000 1.078 180 L CA 1.509 56.348 54.840 -0.001 0.000 0.749 180 L CB -0.907 41.112 42.059 -0.066 0.000 0.901 180 L HN 0.488 nan 8.230 nan 0.000 0.433 181 Q N -0.796 119.062 119.800 0.096 0.000 2.096 181 Q HA -0.283 4.063 4.340 0.010 0.000 0.204 181 Q C 2.036 178.126 176.000 0.150 0.000 0.982 181 Q CA 2.220 58.091 55.803 0.114 0.000 0.850 181 Q CB -0.347 28.463 28.738 0.120 0.000 0.901 181 Q HN 0.527 nan 8.270 nan 0.000 0.422 182 W N 0.502 121.813 121.300 0.019 0.000 2.321 182 W HA -0.246 4.419 4.660 0.009 0.000 0.306 182 W C 1.882 178.424 176.519 0.037 0.000 1.217 182 W CA 1.416 58.786 57.345 0.041 0.000 1.257 182 W CB -0.090 29.389 29.460 0.032 0.000 1.145 182 W HN -0.126 nan 8.180 nan 0.000 0.509 183 V N 0.749 120.884 119.914 0.369 0.000 2.427 183 V HA -0.324 3.802 4.120 0.010 0.000 0.248 183 V C 2.513 178.625 176.094 0.030 0.000 1.051 183 V CA 1.948 64.382 62.300 0.224 0.000 1.048 183 V CB -0.915 31.053 31.823 0.241 0.000 0.666 183 V HN 0.203 nan 8.190 nan 0.000 0.456 184 Q N -0.190 119.633 119.800 0.038 0.000 2.096 184 Q HA -0.257 4.089 4.340 0.010 0.000 0.204 184 Q C 2.235 178.200 176.000 -0.058 0.000 0.982 184 Q CA 1.999 57.808 55.803 0.010 0.000 0.850 184 Q CB -0.237 28.517 28.738 0.026 0.000 0.901 184 Q HN 0.772 nan 8.270 nan 0.000 0.422 185 E N -0.236 119.889 120.200 -0.126 0.000 2.112 185 E HA -0.067 4.289 4.350 0.010 0.000 0.190 185 E C 1.233 177.678 176.600 -0.259 0.000 0.979 185 E CA 0.611 56.907 56.400 -0.173 0.000 0.814 185 E CB 0.332 29.926 29.700 -0.176 0.000 0.762 185 E HN 0.308 nan 8.360 nan 0.000 0.460 186 N N -0.024 118.411 118.700 -0.440 0.000 2.332 186 N HA -0.016 4.730 4.740 0.010 0.000 0.190 186 N C 1.592 176.973 175.510 -0.215 0.000 1.117 186 N CA 0.073 52.817 53.050 -0.510 0.000 0.883 186 N CB 0.304 38.110 38.487 -1.136 0.000 1.089 186 N HN 0.112 nan 8.380 nan 0.000 0.480 187 I N 2.420 122.918 120.570 -0.119 0.000 2.454 187 I HA -0.138 4.038 4.170 0.010 0.000 0.254 187 I C 2.131 178.348 176.117 0.165 0.000 1.156 187 I CA 0.538 61.912 61.300 0.124 0.000 1.433 187 I CB -0.201 37.864 38.000 0.109 0.000 1.082 187 I HN 0.053 nan 8.210 nan 0.000 0.432 188 A N 0.203 123.049 122.820 0.043 0.000 2.019 188 A HA -0.106 4.220 4.320 0.010 0.000 0.219 188 A C 2.480 180.053 177.584 -0.019 0.000 1.164 188 A CA 1.466 53.513 52.037 0.016 0.000 0.644 188 A CB -1.041 17.946 19.000 -0.022 0.000 0.805 188 A HN 0.472 nan 8.150 nan 0.000 0.449 189 A N -1.432 121.338 122.820 -0.083 0.000 2.076 189 A HA 0.022 4.348 4.320 0.010 0.000 0.220 189 A C 1.541 178.895 177.584 -0.383 0.000 1.160 189 A CA 1.367 53.235 52.037 -0.281 0.000 0.653 189 A CB -0.618 18.103 19.000 -0.465 0.000 0.801 189 A HN 0.520 nan 8.150 nan 0.000 0.455 190 F N -1.750 118.144 119.950 -0.094 0.000 2.678 190 F HA 0.398 4.931 4.527 0.010 0.000 0.305 190 F C 1.750 177.547 175.800 -0.005 0.000 1.090 190 F CA 0.444 58.401 58.000 -0.073 0.000 1.272 190 F CB 0.369 39.332 39.000 -0.063 0.000 1.060 190 F HN 0.317 nan 8.300 nan 0.000 0.576 191 G N 0.324 109.203 108.800 0.132 0.000 2.157 191 G HA2 -0.180 3.786 3.960 0.010 0.000 0.239 191 G HA3 -0.180 3.786 3.960 0.010 0.000 0.239 191 G C 0.678 175.642 174.900 0.106 0.000 0.982 191 G CA -0.283 44.873 45.100 0.093 0.000 0.650 191 G HN 0.711 nan 8.290 nan 0.000 0.527 192 G N -0.472 108.412 108.800 0.141 0.000 2.539 192 G HA2 0.452 4.417 3.960 0.010 0.000 0.258 192 G HA3 0.452 4.417 3.960 0.010 0.000 0.258 192 G C -0.613 174.332 174.900 0.076 0.000 1.202 192 G CA 0.375 45.545 45.100 0.116 0.000 0.851 192 G HN 0.237 nan 8.290 nan 0.000 0.556 193 D N 1.177 121.613 120.400 0.061 0.000 2.412 193 D HA 0.288 4.934 4.640 0.010 0.000 0.224 193 D C -1.230 175.099 176.300 0.048 0.000 1.093 193 D CA -2.357 51.663 54.000 0.033 0.000 0.850 193 D CB 1.954 42.757 40.800 0.005 0.000 1.046 193 D HN 0.051 nan 8.370 nan 0.000 0.507 194 P HA -0.043 nan 4.420 nan 0.000 0.230 194 P C 1.105 178.488 177.300 0.138 0.000 1.158 194 P CA 0.586 63.740 63.100 0.089 0.000 0.769 194 P CB 0.196 31.930 31.700 0.055 0.000 0.807 195 M N -1.273 118.340 119.600 0.022 0.000 2.494 195 M HA 0.114 4.600 4.480 0.010 0.000 0.232 195 M C 0.618 176.587 176.300 -0.551 0.000 1.137 195 M CA 0.452 55.667 55.300 -0.141 0.000 1.012 195 M CB 0.201 32.723 32.600 -0.129 0.000 1.567 195 M HN -0.152 nan 8.290 nan 0.000 0.486 196 S N 1.089 116.656 115.700 -0.223 0.000 2.356 196 S HA 0.418 4.894 4.470 0.010 0.000 0.171 196 S C -1.079 173.579 174.600 0.097 0.000 1.399 196 S CA -0.481 57.614 58.200 -0.174 0.000 1.225 196 S CB 0.507 63.621 63.200 -0.144 0.000 1.271 196 S HN 0.017 nan 8.310 nan 0.000 0.427 197 V N 3.777 123.908 119.914 0.362 0.000 2.409 197 V HA 0.567 4.693 4.120 0.010 0.000 0.291 197 V C -0.007 176.274 176.094 0.312 0.000 1.020 197 V CA -0.398 62.088 62.300 0.310 0.000 0.848 197 V CB 1.916 33.923 31.823 0.306 0.000 0.990 197 V HN 0.732 nan 8.190 nan 0.000 0.430 198 T N 6.627 121.317 114.554 0.226 0.000 2.786 198 T HA 0.571 4.927 4.350 0.010 0.000 0.283 198 T C -0.260 174.587 174.700 0.244 0.000 0.992 198 T CA -0.328 61.907 62.100 0.226 0.000 0.954 198 T CB 0.787 69.738 68.868 0.140 0.000 0.934 198 T HN 0.339 nan 8.240 nan 0.000 0.440 199 L N 5.079 126.412 121.223 0.184 0.000 2.326 199 L HA 0.667 5.013 4.340 0.010 0.000 0.278 199 L C -0.367 176.693 176.870 0.316 0.000 1.092 199 L CA -0.769 54.142 54.840 0.117 0.000 0.810 199 L CB 0.303 42.211 42.059 -0.251 0.000 1.153 199 L HN 0.623 nan 8.230 nan 0.000 0.439 200 F N 0.691 120.699 119.950 0.098 0.000 2.613 200 F HA 0.972 5.505 4.527 0.009 0.000 0.310 200 F C -0.296 175.492 175.800 -0.019 0.000 1.085 200 F CA -1.393 56.711 58.000 0.172 0.000 0.945 200 F CB 1.660 40.899 39.000 0.398 0.000 1.298 200 F HN 0.487 nan 8.300 nan 0.000 0.455 201 G N 0.976 109.641 108.800 -0.224 0.000 2.523 201 G HA2 0.485 4.450 3.960 0.010 0.000 0.291 201 G HA3 0.485 4.450 3.960 0.010 0.000 0.291 201 G C -2.587 172.105 174.900 -0.346 0.000 1.450 201 G CA -0.784 43.758 45.100 -0.929 0.000 0.790 201 G HN 0.893 nan 8.290 nan 0.000 0.496 202 E N 0.137 120.105 120.200 -0.387 0.000 2.317 202 E HA 0.667 5.023 4.350 0.010 0.000 0.270 202 E C 0.628 177.184 176.600 -0.073 0.000 0.885 202 E CA 0.293 56.685 56.400 -0.012 0.000 0.760 202 E CB 2.229 32.064 29.700 0.226 0.000 1.227 202 E HN 0.946 nan 8.360 nan 0.000 0.434 203 S N 2.188 117.920 115.700 0.053 0.000 4.114 203 S HA -0.383 4.092 4.470 0.010 0.000 0.618 203 S C 1.424 176.136 174.600 0.186 0.000 1.937 203 S CA 2.083 60.391 58.200 0.180 0.000 4.228 203 S CB -1.623 61.603 63.200 0.043 0.000 0.216 203 S HN 0.983 nan 8.310 nan 0.000 0.528 204 A N 1.021 123.815 122.820 -0.043 0.000 2.070 204 A HA 0.189 4.514 4.320 0.010 0.000 0.220 204 A C 2.371 179.708 177.584 -0.413 0.000 1.159 204 A CA 2.308 54.123 52.037 -0.369 0.000 0.656 204 A CB -1.451 16.890 19.000 -1.098 0.000 0.800 204 A HN 1.475 nan 8.150 nan 0.000 0.453 205 G N -0.466 108.130 108.800 -0.341 0.000 2.404 205 G HA2 0.041 4.007 3.960 0.010 0.000 0.215 205 G HA3 0.041 4.007 3.960 0.010 0.000 0.215 205 G C 1.738 176.454 174.900 -0.307 0.000 1.174 205 G CA 1.216 46.049 45.100 -0.446 0.000 0.780 205 G HN 0.738 nan 8.290 nan 0.000 0.537 206 A N 1.163 123.882 122.820 -0.168 0.000 1.902 206 A HA 0.296 4.622 4.320 0.010 0.000 0.217 206 A C 2.792 180.354 177.584 -0.037 0.000 1.181 206 A CA 2.180 54.183 52.037 -0.058 0.000 0.623 206 A CB -0.737 18.293 19.000 0.050 0.000 0.818 206 A HN 0.751 nan 8.150 nan 0.000 0.443 207 A N -0.616 122.205 122.820 0.002 0.000 1.933 207 A HA -0.049 4.277 4.320 0.010 0.000 0.218 207 A C 2.425 180.003 177.584 -0.010 0.000 1.175 207 A CA 1.972 54.001 52.037 -0.012 0.000 0.628 207 A CB -0.817 18.184 19.000 0.002 0.000 0.814 207 A HN 0.438 nan 8.150 nan 0.000 0.444 208 S N -0.418 115.268 115.700 -0.023 0.000 2.359 208 S HA -0.149 4.327 4.470 0.010 0.000 0.224 208 S C 1.912 176.451 174.600 -0.102 0.000 1.035 208 S CA 1.471 59.619 58.200 -0.086 0.000 1.018 208 S CB -0.503 62.582 63.200 -0.191 0.000 0.876 208 S HN 0.351 nan 8.310 nan 0.000 0.448 209 V N 1.621 121.488 119.914 -0.078 0.000 2.287 209 V HA -0.186 3.939 4.120 0.010 0.000 0.248 209 V C 2.627 178.700 176.094 -0.035 0.000 1.053 209 V CA 2.021 64.284 62.300 -0.062 0.000 1.027 209 V CB -1.496 30.271 31.823 -0.094 0.000 0.646 209 V HN 0.602 nan 8.190 nan 0.000 0.447 210 G N -0.971 107.809 108.800 -0.033 0.000 2.442 210 G HA2 -0.294 3.672 3.960 0.010 0.000 0.219 210 G HA3 -0.294 3.672 3.960 0.010 0.000 0.219 210 G C 1.612 176.524 174.900 0.020 0.000 1.141 210 G CA 1.163 46.255 45.100 -0.014 0.000 0.763 210 G HN 0.458 nan 8.290 nan 0.000 0.554 211 M N -0.242 119.348 119.600 -0.017 0.000 2.254 211 M HA 0.030 4.516 4.480 0.010 0.000 0.265 211 M C 2.290 178.646 176.300 0.094 0.000 1.066 211 M CA 0.814 56.134 55.300 0.033 0.000 1.123 211 M CB -0.212 32.380 32.600 -0.014 0.000 1.388 211 M HN 0.205 nan 8.290 nan 0.000 0.425 212 H N -0.069 119.109 119.070 0.180 0.000 2.423 212 H HA -0.010 4.552 4.556 0.009 0.000 0.297 212 H C 2.104 177.619 175.328 0.312 0.000 1.075 212 H CA 1.375 57.538 56.048 0.192 0.000 1.342 212 H CB -0.324 29.438 29.762 -0.000 0.000 1.395 212 H HN 0.416 nan 8.280 nan 0.000 0.530 213 I N 0.648 121.452 120.570 0.391 0.000 2.361 213 I HA -0.220 3.956 4.170 0.010 0.000 0.251 213 I C 1.793 178.096 176.117 0.310 0.000 1.133 213 I CA 1.001 62.571 61.300 0.451 0.000 1.413 213 I CB -0.025 38.157 38.000 0.303 0.000 1.073 213 I HN 0.119 nan 8.210 nan 0.000 0.424 214 L N -1.036 120.319 121.223 0.219 0.000 2.607 214 L HA 0.132 4.478 4.340 0.010 0.000 0.228 214 L C 0.878 177.795 176.870 0.077 0.000 1.123 214 L CA 0.036 54.979 54.840 0.172 0.000 0.890 214 L CB 0.161 42.305 42.059 0.142 0.000 1.103 214 L HN -0.008 nan 8.230 nan 0.000 0.468 215 S N -0.119 115.597 115.700 0.026 0.000 2.474 215 S HA 0.240 4.716 4.470 0.010 0.000 0.321 215 S C 0.608 175.132 174.600 -0.128 0.000 1.080 215 S CA -0.607 57.487 58.200 -0.176 0.000 1.106 215 S CB 1.447 64.280 63.200 -0.612 0.000 0.984 215 S HN 0.141 nan 8.310 nan 0.000 0.464 216 L N 7.757 128.909 121.223 -0.119 0.000 1.989 216 L HA 0.122 4.468 4.340 0.010 0.000 0.211 216 L C -1.081 175.741 176.870 -0.080 0.000 1.071 216 L CA 2.138 56.931 54.840 -0.080 0.000 0.749 216 L CB -1.229 40.786 42.059 -0.073 0.000 0.890 216 L HN 0.483 nan 8.230 nan 0.000 0.431 217 P HA -0.102 nan 4.420 nan 0.000 0.222 217 P C 1.485 178.770 177.300 -0.025 0.000 1.142 217 P CA 1.440 64.498 63.100 -0.070 0.000 0.788 217 P CB -0.030 31.619 31.700 -0.085 0.000 0.767 218 S N -1.324 114.380 115.700 0.008 0.000 2.501 218 S HA 0.054 4.530 4.470 0.010 0.000 0.220 218 S C 1.787 176.477 174.600 0.150 0.000 0.997 218 S CA 0.216 58.509 58.200 0.156 0.000 0.919 218 S CB -0.258 63.163 63.200 0.369 0.000 0.778 218 S HN 0.080 nan 8.310 nan 0.000 0.523 219 R N 2.120 122.617 120.500 -0.006 0.000 2.120 219 R HA 0.004 4.350 4.340 0.010 0.000 0.234 219 R C 2.214 178.282 176.300 -0.387 0.000 1.123 219 R CA 1.384 57.330 56.100 -0.256 0.000 0.975 219 R CB -1.090 29.107 30.300 -0.170 0.000 0.866 219 R HN 0.552 nan 8.270 nan 0.000 0.446 220 S N 0.038 115.616 115.700 -0.204 0.000 2.607 220 S HA 0.062 4.538 4.470 0.010 0.000 0.224 220 S C 1.760 176.247 174.600 -0.189 0.000 0.969 220 S CA 0.343 58.430 58.200 -0.187 0.000 0.927 220 S CB -0.159 62.986 63.200 -0.092 0.000 0.772 220 S HN 0.213 nan 8.310 nan 0.000 0.533 221 L N 0.005 121.141 121.223 -0.144 0.000 2.616 221 L HA 0.465 4.811 4.340 0.010 0.000 0.229 221 L C 0.188 177.067 176.870 0.016 0.000 1.110 221 L CA -0.254 54.574 54.840 -0.021 0.000 0.884 221 L CB -0.006 42.100 42.059 0.077 0.000 1.115 221 L HN 0.486 nan 8.230 nan 0.000 0.481 222 F N -3.990 115.776 119.950 -0.306 0.000 2.715 222 F HA 0.500 5.032 4.527 0.009 0.000 0.318 222 F C 0.549 176.031 175.800 -0.531 0.000 1.141 222 F CA -0.964 56.845 58.000 -0.318 0.000 0.950 222 F CB 0.866 39.816 39.000 -0.085 0.000 1.374 222 F HN -0.153 nan 8.300 nan 0.000 0.477 223 H N -0.752 118.380 119.070 0.103 0.000 3.400 223 H HA 0.451 5.013 4.556 0.009 0.000 0.251 223 H C -0.143 175.224 175.328 0.066 0.000 1.040 223 H CA -0.061 55.968 56.048 -0.032 0.000 1.175 223 H CB 1.064 30.809 29.762 -0.029 0.000 1.487 223 H HN 0.442 nan 8.280 nan 0.000 0.505 224 R N 0.166 120.874 120.500 0.347 0.000 2.764 224 R HA 0.718 5.064 4.340 0.010 0.000 0.270 224 R C -1.496 175.073 176.300 0.450 0.000 1.014 224 R CA -0.658 55.618 56.100 0.293 0.000 0.904 224 R CB 2.883 33.160 30.300 -0.038 0.000 1.236 224 R HN 0.144 nan 8.270 nan 0.000 0.466 225 A N 0.978 124.081 122.820 0.470 0.000 2.520 225 A HA 0.660 4.986 4.320 0.010 0.000 0.298 225 A C -1.555 176.174 177.584 0.242 0.000 1.051 225 A CA -0.582 51.643 52.037 0.313 0.000 0.690 225 A CB 1.872 21.015 19.000 0.238 0.000 1.281 225 A HN 0.292 nan 8.150 nan 0.000 0.402 226 V N 2.186 122.202 119.914 0.170 0.000 2.531 226 V HA 0.540 4.666 4.120 0.010 0.000 0.301 226 V C -1.133 175.050 176.094 0.148 0.000 1.034 226 V CA -0.341 62.001 62.300 0.069 0.000 0.865 226 V CB 1.378 33.248 31.823 0.078 0.000 0.995 226 V HN 0.699 nan 8.190 nan 0.000 0.424 227 L N 5.096 126.380 121.223 0.102 0.000 2.345 227 L HA 0.514 4.859 4.340 0.010 0.000 0.274 227 L C -0.028 176.951 176.870 0.183 0.000 0.999 227 L CA 0.049 54.951 54.840 0.104 0.000 0.849 227 L CB 1.608 43.681 42.059 0.023 0.000 1.220 227 L HN 0.625 nan 8.230 nan 0.000 0.422 228 Q N 2.156 122.115 119.800 0.264 0.000 2.368 228 Q HA 0.430 4.776 4.340 0.010 0.000 0.256 228 Q C 0.115 176.264 176.000 0.249 0.000 0.980 228 Q CA -0.503 55.519 55.803 0.365 0.000 0.887 228 Q CB 1.235 30.275 28.738 0.503 0.000 1.221 228 Q HN 0.624 nan 8.270 nan 0.000 0.458 229 S N 1.004 116.838 115.700 0.223 0.000 3.614 229 S HA -0.159 4.316 4.470 0.010 0.000 0.360 229 S C 0.050 174.856 174.600 0.343 0.000 1.023 229 S CA 0.523 58.883 58.200 0.267 0.000 1.114 229 S CB -1.217 62.160 63.200 0.295 0.000 0.907 229 S HN 1.002 nan 8.310 nan 0.000 0.470 230 G N -0.464 108.483 108.800 0.245 0.000 2.519 230 G HA2 0.660 4.625 3.960 0.010 0.000 0.292 230 G HA3 0.660 4.625 3.960 0.010 0.000 0.292 230 G C -0.931 174.028 174.900 0.098 0.000 1.507 230 G CA 0.204 45.487 45.100 0.304 0.000 0.806 230 G HN 1.038 nan 8.290 nan 0.000 0.523 231 T N -1.458 113.085 114.554 -0.017 0.000 2.889 231 T HA 0.736 5.092 4.350 0.010 0.000 0.315 231 T C -2.374 172.172 174.700 -0.256 0.000 1.291 231 T CA -1.240 60.780 62.100 -0.135 0.000 1.028 231 T CB 2.998 71.775 68.868 -0.151 0.000 1.235 231 T HN 0.302 nan 8.240 nan 0.000 0.491 232 P HA -0.006 nan 4.420 nan 0.000 0.220 232 P C 0.261 177.408 177.300 -0.255 0.000 1.152 232 P CA 0.634 63.612 63.100 -0.203 0.000 0.812 232 P CB -0.071 31.565 31.700 -0.106 0.000 0.792 233 N N 0.654 119.219 118.700 -0.225 0.000 2.381 233 N HA 0.321 5.067 4.740 0.010 0.000 0.254 233 N C 0.769 176.078 175.510 -0.335 0.000 1.264 233 N CA 0.553 53.468 53.050 -0.224 0.000 0.942 233 N CB 0.284 38.680 38.487 -0.151 0.000 1.190 233 N HN 0.208 nan 8.380 nan 0.000 0.495 234 G N -0.751 107.867 108.800 -0.303 0.000 2.525 234 G HA2 -0.107 3.859 3.960 0.010 0.000 0.685 234 G HA3 -0.107 3.859 3.960 0.010 0.000 0.685 234 G C -2.336 172.329 174.900 -0.392 0.000 1.290 234 G CA -0.249 44.624 45.100 -0.378 0.000 0.915 234 G HN 0.538 nan 8.290 nan 0.000 0.548 235 P HA 0.143 nan 4.420 nan 0.000 0.245 235 P C 1.320 178.562 177.300 -0.097 0.000 1.206 235 P CA 1.816 64.782 63.100 -0.224 0.000 0.781 235 P CB -0.048 31.491 31.700 -0.269 0.000 0.994 236 W N -1.945 119.271 121.300 -0.140 0.000 2.773 236 W HA 0.562 5.227 4.660 0.008 0.000 0.297 236 W C 0.969 177.569 176.519 0.136 0.000 1.050 236 W CA 0.421 57.769 57.345 0.005 0.000 1.467 236 W CB -0.656 28.854 29.460 0.084 0.000 0.977 236 W HN -0.178 nan 8.180 nan 0.000 0.573 237 A N 2.013 124.530 122.820 -0.506 0.000 2.119 237 A HA 0.139 4.465 4.320 0.010 0.000 0.216 237 A C 1.213 178.658 177.584 -0.232 0.000 1.152 237 A CA 1.863 53.656 52.037 -0.406 0.000 0.708 237 A CB -0.746 17.764 19.000 -0.817 0.000 0.805 237 A HN 0.258 nan 8.150 nan 0.000 0.460 238 T N -3.550 110.883 114.554 -0.202 0.000 2.804 238 T HA 0.651 5.007 4.350 0.010 0.000 0.290 238 T C -0.640 173.992 174.700 -0.113 0.000 1.099 238 T CA -0.102 61.891 62.100 -0.178 0.000 1.011 238 T CB 1.405 70.175 68.868 -0.163 0.000 1.291 238 T HN 0.967 nan 8.240 nan 0.000 0.523 239 V N -1.593 118.261 119.914 -0.099 0.000 3.147 239 V HA 0.850 4.976 4.120 0.010 0.000 0.306 239 V C 0.140 176.199 176.094 -0.057 0.000 1.209 239 V CA -0.850 61.406 62.300 -0.073 0.000 1.023 239 V CB 1.258 33.038 31.823 -0.072 0.000 1.059 239 V HN 1.416 nan 8.190 nan 0.000 0.435 240 S N 1.888 117.558 115.700 -0.049 0.000 2.589 240 S HA 0.558 5.034 4.470 0.010 0.000 0.265 240 S C 1.499 176.083 174.600 -0.026 0.000 1.342 240 S CA 0.161 58.340 58.200 -0.036 0.000 1.005 240 S CB 1.176 64.355 63.200 -0.035 0.000 0.909 240 S HN 2.085 nan 8.310 nan 0.000 0.555 241 A N 2.460 125.270 122.820 -0.016 0.000 1.873 241 A HA 0.023 4.348 4.320 0.010 0.000 0.218 241 A C 2.288 179.864 177.584 -0.013 0.000 1.193 241 A CA 2.052 54.084 52.037 -0.008 0.000 0.629 241 A CB -1.965 17.033 19.000 -0.002 0.000 0.826 241 A HN 1.229 nan 8.150 nan 0.000 0.447 242 G N -0.681 108.108 108.800 -0.018 0.000 2.440 242 G HA2 -0.265 3.701 3.960 0.010 0.000 0.218 242 G HA3 -0.265 3.701 3.960 0.010 0.000 0.218 242 G C 1.491 176.374 174.900 -0.029 0.000 1.154 242 G CA 1.523 46.610 45.100 -0.022 0.000 0.767 242 G HN 0.616 nan 8.290 nan 0.000 0.552 243 E N 0.867 121.044 120.200 -0.037 0.000 2.076 243 E HA 0.165 4.521 4.350 0.010 0.000 0.190 243 E C 2.653 179.218 176.600 -0.058 0.000 0.979 243 E CA 1.297 57.665 56.400 -0.053 0.000 0.807 243 E CB -0.564 29.098 29.700 -0.064 0.000 0.761 243 E HN 0.250 nan 8.360 nan 0.000 0.454 244 A N 1.109 123.905 122.820 -0.040 0.000 1.908 244 A HA -0.208 4.118 4.320 0.010 0.000 0.218 244 A C 2.295 179.884 177.584 0.010 0.000 1.181 244 A CA 1.831 53.860 52.037 -0.013 0.000 0.627 244 A CB -0.667 18.344 19.000 0.019 0.000 0.818 244 A HN 0.290 nan 8.150 nan 0.000 0.445 245 R N -0.509 119.989 120.500 -0.002 0.000 2.083 245 R HA -0.158 4.188 4.340 0.010 0.000 0.237 245 R C 2.441 178.737 176.300 -0.007 0.000 1.137 245 R CA 1.741 57.839 56.100 -0.003 0.000 0.951 245 R CB -0.330 29.965 30.300 -0.010 0.000 0.851 245 R HN 0.536 nan 8.270 nan 0.000 0.434 246 R N 0.307 120.795 120.500 -0.021 0.000 2.083 246 R HA -0.133 4.213 4.340 0.010 0.000 0.237 246 R C 2.303 178.588 176.300 -0.025 0.000 1.137 246 R CA 1.887 57.970 56.100 -0.028 0.000 0.951 246 R CB -0.090 30.185 30.300 -0.042 0.000 0.851 246 R HN 0.283 nan 8.270 nan 0.000 0.434 247 R N -0.232 120.242 120.500 -0.044 0.000 2.075 247 R HA -0.059 4.287 4.340 0.010 0.000 0.232 247 R C 2.374 178.738 176.300 0.107 0.000 1.126 247 R CA 1.275 57.341 56.100 -0.057 0.000 0.963 247 R CB -0.377 29.762 30.300 -0.269 0.000 0.858 247 R HN 0.243 nan 8.270 nan 0.000 0.435 248 A N 0.667 123.582 122.820 0.158 0.000 1.908 248 A HA -0.164 4.162 4.320 0.010 0.000 0.218 248 A C 2.189 179.803 177.584 0.049 0.000 1.181 248 A CA 1.995 54.126 52.037 0.156 0.000 0.627 248 A CB -0.844 18.188 19.000 0.054 0.000 0.818 248 A HN 0.274 nan 8.150 nan 0.000 0.445 249 T N -0.074 114.492 114.554 0.020 0.000 2.777 249 T HA -0.099 4.257 4.350 0.010 0.000 0.266 249 T C 1.821 176.524 174.700 0.005 0.000 1.040 249 T CA 1.419 63.517 62.100 -0.003 0.000 1.141 249 T CB -0.302 68.560 68.868 -0.010 0.000 0.868 249 T HN 0.292 nan 8.240 nan 0.000 0.444 250 L N 1.254 122.488 121.223 0.019 0.000 2.027 250 L HA 0.122 4.468 4.340 0.010 0.000 0.206 250 L C 2.196 179.089 176.870 0.039 0.000 1.074 250 L CA 1.447 56.298 54.840 0.018 0.000 0.745 250 L CB -1.139 40.927 42.059 0.011 0.000 0.898 250 L HN 0.196 nan 8.230 nan 0.000 0.433 251 L N -0.018 121.263 121.223 0.096 0.000 2.013 251 L HA -0.186 4.160 4.340 0.010 0.000 0.212 251 L C 2.512 179.392 176.870 0.017 0.000 1.073 251 L CA 2.202 57.111 54.840 0.115 0.000 0.753 251 L CB -0.955 41.237 42.059 0.222 0.000 0.890 251 L HN 0.311 nan 8.230 nan 0.000 0.432 252 A N -0.322 122.496 122.820 -0.003 0.000 1.859 252 A HA -0.294 4.032 4.320 0.010 0.000 0.217 252 A C 2.415 179.975 177.584 -0.041 0.000 1.198 252 A CA 2.209 54.227 52.037 -0.032 0.000 0.629 252 A CB -0.768 18.209 19.000 -0.038 0.000 0.830 252 A HN 0.519 nan 8.150 nan 0.000 0.446 253 R N -0.732 119.748 120.500 -0.033 0.000 2.112 253 R HA -0.191 4.155 4.340 0.010 0.000 0.242 253 R C 2.132 178.387 176.300 -0.075 0.000 1.137 253 R CA 1.899 57.974 56.100 -0.042 0.000 0.944 253 R CB -0.713 29.570 30.300 -0.029 0.000 0.857 253 R HN 0.592 nan 8.270 nan 0.000 0.435 254 L N 0.477 121.640 121.223 -0.100 0.000 2.131 254 L HA -0.120 4.226 4.340 0.010 0.000 0.210 254 L C 2.098 178.736 176.870 -0.387 0.000 1.092 254 L CA 0.881 55.594 54.840 -0.212 0.000 0.759 254 L CB -0.340 41.609 42.059 -0.182 0.000 0.903 254 L HN 0.183 nan 8.230 nan 0.000 0.435 255 V N -3.171 116.574 119.914 -0.282 0.000 3.444 255 V HA 0.356 4.482 4.120 0.010 0.000 0.308 255 V C 1.166 177.209 176.094 -0.086 0.000 1.371 255 V CA -0.240 61.940 62.300 -0.201 0.000 1.141 255 V CB -1.134 30.630 31.823 -0.100 0.000 1.037 255 V HN 0.188 nan 8.190 nan 0.000 0.433 256 G N -0.306 108.446 108.800 -0.080 0.000 2.168 256 G HA2 0.056 4.022 3.960 0.010 0.000 0.240 256 G HA3 0.056 4.022 3.960 0.010 0.000 0.240 256 G C 0.560 175.447 174.900 -0.022 0.000 1.080 256 G CA 0.719 45.793 45.100 -0.043 0.000 0.877 256 G HN 1.277 nan 8.290 nan 0.000 0.446 257 c N 2.594 121.186 118.600 -0.012 0.000 4.354 257 c HA -0.109 4.467 4.570 0.010 0.000 0.307 257 c C -1.385 172.694 174.090 -0.018 0.000 1.318 257 c CA -0.438 55.883 56.329 -0.014 0.000 2.060 257 c CB -2.228 40.273 42.510 -0.015 0.000 1.283 257 c HN 0.860 nan 8.230 nan 0.000 0.723 258 P HA 0.250 nan 4.420 nan 0.000 0.264 258 P C -1.115 176.177 177.300 -0.013 0.000 1.236 258 P CA 0.120 63.212 63.100 -0.014 0.000 0.811 258 P CB 0.041 31.735 31.700 -0.010 0.000 0.840 265 N N -0.460 118.238 118.700 -0.004 0.000 2.294 265 N HA 0.229 4.975 4.740 0.010 0.000 0.248 265 N C 0.469 175.975 175.510 -0.006 0.000 1.300 265 N CA -0.235 52.813 53.050 -0.004 0.000 0.925 265 N CB 1.022 39.508 38.487 -0.001 0.000 1.188 265 N HN -0.066 nan 8.380 nan 0.000 0.512 266 D N -1.245 119.150 120.400 -0.007 0.000 2.224 266 D HA -0.054 4.592 4.640 0.010 0.000 0.205 266 D C 1.277 177.572 176.300 -0.008 0.000 0.965 266 D CA 1.192 55.184 54.000 -0.014 0.000 0.852 266 D CB -0.509 40.282 40.800 -0.014 0.000 0.947 266 D HN 0.643 nan 8.370 nan 0.000 0.494 267 T N 0.520 115.075 114.554 0.002 0.000 2.737 267 T HA -0.138 4.217 4.350 0.010 0.000 0.265 267 T C 1.804 176.512 174.700 0.013 0.000 1.038 267 T CA 0.981 63.088 62.100 0.012 0.000 1.144 267 T CB -0.145 68.732 68.868 0.015 0.000 0.866 267 T HN 0.223 nan 8.240 nan 0.000 0.434 268 E N 0.385 120.589 120.200 0.008 0.000 2.118 268 E HA -0.106 4.250 4.350 0.010 0.000 0.195 268 E C 2.096 178.700 176.600 0.006 0.000 0.992 268 E CA 0.778 57.183 56.400 0.008 0.000 0.804 268 E CB -0.145 29.558 29.700 0.004 0.000 0.741 268 E HN 0.410 nan 8.360 nan 0.000 0.458 269 L N 0.131 121.351 121.223 -0.004 0.000 2.127 269 L HA -0.061 4.285 4.340 0.010 0.000 0.203 269 L C 2.153 179.013 176.870 -0.017 0.000 1.080 269 L CA 0.776 55.606 54.840 -0.016 0.000 0.768 269 L CB -0.027 42.014 42.059 -0.031 0.000 0.924 269 L HN 0.120 nan 8.230 nan 0.000 0.444 270 I N 0.320 120.879 120.570 -0.019 0.000 2.252 270 I HA -0.247 3.929 4.170 0.010 0.000 0.245 270 I C 2.791 178.964 176.117 0.094 0.000 1.102 270 I CA 1.110 62.413 61.300 0.004 0.000 1.385 270 I CB -0.536 37.466 38.000 0.004 0.000 1.064 270 I HN 0.322 nan 8.210 nan 0.000 0.414 271 A N -0.233 122.626 122.820 0.065 0.000 1.917 271 A HA -0.338 3.988 4.320 0.010 0.000 0.219 271 A C 2.540 180.163 177.584 0.064 0.000 1.182 271 A CA 2.246 54.323 52.037 0.066 0.000 0.633 271 A CB -1.453 17.572 19.000 0.041 0.000 0.819 271 A HN 0.638 nan 8.150 nan 0.000 0.448 272 c N -0.774 117.854 118.600 0.047 0.000 2.453 272 c HA 0.043 4.619 4.570 0.010 0.000 0.277 272 c C 2.562 176.687 174.090 0.059 0.000 1.262 272 c CA 1.013 57.366 56.329 0.040 0.000 1.718 272 c CB -1.579 40.943 42.510 0.020 0.000 2.031 272 c HN 0.595 nan 8.230 nan 0.000 0.480 273 L N 0.322 121.589 121.223 0.072 0.000 2.129 273 L HA -0.181 4.165 4.340 0.010 0.000 0.212 273 L C 2.813 179.805 176.870 0.205 0.000 1.087 273 L CA 1.698 56.613 54.840 0.125 0.000 0.757 273 L CB -0.520 41.596 42.059 0.095 0.000 0.896 273 L HN 0.360 nan 8.230 nan 0.000 0.434 274 R N -0.858 119.762 120.500 0.200 0.000 2.276 274 R HA -0.071 4.275 4.340 0.010 0.000 0.203 274 R C 2.061 178.393 176.300 0.054 0.000 1.017 274 R CA 1.259 57.435 56.100 0.128 0.000 1.010 274 R CB -0.004 30.370 30.300 0.123 0.000 0.900 274 R HN 0.448 nan 8.270 nan 0.000 0.469 275 T N -2.080 112.508 114.554 0.056 0.000 3.065 275 T HA 0.195 4.551 4.350 0.010 0.000 0.252 275 T C 0.750 175.470 174.700 0.035 0.000 1.099 275 T CA -0.221 61.900 62.100 0.035 0.000 1.063 275 T CB 0.165 69.052 68.868 0.031 0.000 0.948 275 T HN -0.154 nan 8.240 nan 0.000 0.506 276 R N 2.732 123.261 120.500 0.048 0.000 2.490 276 R HA 0.398 4.744 4.340 0.010 0.000 0.280 276 R C -2.729 173.594 176.300 0.038 0.000 1.077 276 R CA -2.442 53.687 56.100 0.048 0.000 1.065 276 R CB -0.134 30.203 30.300 0.061 0.000 1.003 276 R HN 0.250 nan 8.270 nan 0.000 0.470 277 P HA 0.066 nan 4.420 nan 0.000 0.271 277 P C 0.232 177.526 177.300 -0.011 0.000 1.218 277 P CA 0.015 63.117 63.100 0.003 0.000 0.780 277 P CB 0.623 32.334 31.700 0.019 0.000 0.901 278 A N 2.495 125.238 122.820 -0.128 0.000 1.903 278 A HA -0.303 4.023 4.320 0.010 0.000 0.219 278 A C 2.171 179.663 177.584 -0.152 0.000 1.191 278 A CA 2.168 54.066 52.037 -0.232 0.000 0.638 278 A CB -1.448 16.904 19.000 -1.080 0.000 0.823 278 A HN 0.556 nan 8.150 nan 0.000 0.451 279 Q N -0.346 119.372 119.800 -0.138 0.000 2.226 279 Q HA -0.155 4.191 4.340 0.010 0.000 0.204 279 Q C 1.588 177.697 176.000 0.181 0.000 0.975 279 Q CA 1.795 57.697 55.803 0.164 0.000 0.866 279 Q CB -0.339 28.534 28.738 0.226 0.000 0.915 279 Q HN 0.640 nan 8.270 nan 0.000 0.440 280 D N -0.773 119.710 120.400 0.138 0.000 2.144 280 D HA -0.099 4.547 4.640 0.010 0.000 0.200 280 D C 1.684 178.132 176.300 0.247 0.000 0.978 280 D CA 0.796 54.909 54.000 0.189 0.000 0.833 280 D CB 0.114 41.008 40.800 0.156 0.000 0.961 280 D HN 0.331 nan 8.370 nan 0.000 0.470 281 L N -0.019 121.305 121.223 0.168 0.000 2.056 281 L HA -0.125 4.221 4.340 0.010 0.000 0.207 281 L C 2.623 179.595 176.870 0.170 0.000 1.078 281 L CA 0.512 55.416 54.840 0.108 0.000 0.749 281 L CB -0.432 41.554 42.059 -0.121 0.000 0.901 281 L HN -0.068 nan 8.230 nan 0.000 0.433 282 V N -0.079 119.982 119.914 0.244 0.000 2.343 282 V HA -0.275 3.851 4.120 0.010 0.000 0.247 282 V C 2.008 178.244 176.094 0.236 0.000 1.051 282 V CA 1.841 64.329 62.300 0.314 0.000 1.036 282 V CB -0.552 31.547 31.823 0.460 0.000 0.654 282 V HN 0.424 nan 8.190 nan 0.000 0.451 283 D N -0.776 119.729 120.400 0.174 0.000 2.311 283 D HA -0.158 4.487 4.640 0.010 0.000 0.212 283 D C 1.717 177.932 176.300 -0.142 0.000 0.972 283 D CA 1.471 55.476 54.000 0.007 0.000 0.887 283 D CB -0.177 40.567 40.800 -0.093 0.000 0.915 283 D HN 0.663 nan 8.370 nan 0.000 0.497 284 H N -1.143 118.058 119.070 0.217 0.000 3.046 284 H HA 0.190 4.752 4.556 0.010 0.000 0.262 284 H C 1.552 177.014 175.328 0.223 0.000 1.044 284 H CA -0.162 56.061 56.048 0.291 0.000 1.209 284 H CB 0.601 30.521 29.762 0.264 0.000 1.507 284 H HN 0.009 nan 8.280 nan 0.000 0.507 285 E N 0.999 121.380 120.200 0.302 0.000 2.108 285 E HA -0.283 4.073 4.350 0.010 0.000 0.203 285 E C 1.429 178.196 176.600 0.279 0.000 1.022 285 E CA 1.576 58.199 56.400 0.372 0.000 0.823 285 E CB -0.137 29.766 29.700 0.338 0.000 0.744 285 E HN 0.669 nan 8.360 nan 0.000 0.456 286 W N 0.357 121.566 121.300 -0.151 0.000 2.519 286 W HA -0.110 4.555 4.660 0.009 0.000 0.266 286 W C 0.947 177.345 176.519 -0.202 0.000 1.253 286 W CA 1.077 58.260 57.345 -0.269 0.000 1.274 286 W CB -0.053 29.135 29.460 -0.453 0.000 1.114 286 W HN 0.276 nan 8.180 nan 0.000 0.596 287 H N -0.211 118.900 119.070 0.068 0.000 2.556 287 H HA -0.083 4.479 4.556 0.010 0.000 0.268 287 H C 2.005 177.280 175.328 -0.088 0.000 0.996 287 H CA 1.036 57.069 56.048 -0.025 0.000 1.157 287 H CB 0.090 29.921 29.762 0.114 0.000 1.355 287 H HN 0.079 nan 8.280 nan 0.000 0.597 288 V N -1.796 118.097 119.914 -0.036 0.000 3.647 288 V HA 0.173 4.299 4.120 0.010 0.000 0.279 288 V C 0.501 176.468 176.094 -0.212 0.000 1.314 288 V CA -0.133 62.112 62.300 -0.092 0.000 1.125 288 V CB -0.438 31.346 31.823 -0.066 0.000 0.907 288 V HN 0.128 nan 8.190 nan 0.000 0.434 289 L N 2.405 123.433 121.223 -0.325 0.000 2.455 289 L HA 0.263 4.609 4.340 0.010 0.000 0.272 289 L C -0.530 176.185 176.870 -0.260 0.000 1.174 289 L CA -1.097 53.524 54.840 -0.366 0.000 0.869 289 L CB 0.918 42.622 42.059 -0.592 0.000 1.130 289 L HN 0.158 nan 8.230 nan 0.000 0.474 290 P HA -0.085 nan 4.420 nan 0.000 0.221 290 P C -0.333 176.891 177.300 -0.127 0.000 1.150 290 P CA 1.082 64.098 63.100 -0.140 0.000 0.800 290 P CB 0.390 32.022 31.700 -0.114 0.000 0.787 291 Q N -1.370 118.340 119.800 -0.149 0.000 2.495 291 Q HA 0.333 4.679 4.340 0.010 0.000 0.287 291 Q C -0.629 175.282 176.000 -0.149 0.000 1.078 291 Q CA -0.825 54.907 55.803 -0.119 0.000 0.793 291 Q CB 1.192 29.880 28.738 -0.083 0.000 1.459 291 Q HN -0.045 nan 8.270 nan 0.000 0.422 292 E N 1.014 121.158 120.200 -0.094 0.000 2.493 292 E HA 0.266 4.622 4.350 0.010 0.000 0.255 292 E C -1.021 175.548 176.600 -0.052 0.000 0.999 292 E CA 0.165 56.527 56.400 -0.063 0.000 0.934 292 E CB 0.257 29.953 29.700 -0.007 0.000 0.940 292 E HN 0.575 nan 8.360 nan 0.000 0.473 293 S N 3.830 119.501 115.700 -0.048 0.000 2.588 293 S HA 0.608 5.084 4.470 0.010 0.000 0.269 293 S C -0.493 174.138 174.600 0.051 0.000 1.157 293 S CA -1.045 57.139 58.200 -0.027 0.000 0.824 293 S CB 0.702 63.844 63.200 -0.096 0.000 1.126 293 S HN 0.564 nan 8.310 nan 0.000 0.464 294 I N -2.550 118.048 120.570 0.047 0.000 2.957 294 I HA 0.811 4.987 4.170 0.010 0.000 0.310 294 I C -0.205 175.898 176.117 -0.022 0.000 1.063 294 I CA -1.176 60.169 61.300 0.075 0.000 1.033 294 I CB 1.138 39.221 38.000 0.138 0.000 1.230 294 I HN 0.776 nan 8.210 nan 0.000 0.447 295 F N 1.681 121.427 119.950 -0.339 0.000 3.091 295 F HA -0.184 4.349 4.527 0.010 0.000 0.288 295 F C -0.296 174.959 175.800 -0.908 0.000 0.907 295 F CA 0.651 58.199 58.000 -0.753 0.000 1.028 295 F CB -0.643 37.876 39.000 -0.801 0.000 1.022 295 F HN 0.583 nan 8.300 nan 0.000 0.665 296 R N 0.328 120.365 120.500 -0.772 0.000 2.628 296 R HA 0.653 4.999 4.340 0.010 0.000 0.288 296 R C -0.972 174.860 176.300 -0.780 0.000 0.980 296 R CA -0.582 55.122 56.100 -0.660 0.000 0.891 296 R CB 1.385 31.518 30.300 -0.279 0.000 1.188 296 R HN 0.002 nan 8.270 nan 0.000 0.450 297 F N -0.794 119.241 119.950 0.142 0.000 2.563 297 F HA 0.362 4.894 4.527 0.009 0.000 0.316 297 F C 1.480 177.304 175.800 0.040 0.000 1.076 297 F CA -0.806 57.285 58.000 0.151 0.000 0.921 297 F CB 1.925 41.109 39.000 0.307 0.000 1.209 297 F HN 0.348 nan 8.300 nan 0.000 0.462 298 S N 0.698 116.499 115.700 0.168 0.000 2.371 298 S HA 0.041 4.516 4.470 0.010 0.000 0.224 298 S C -0.081 174.218 174.600 -0.502 0.000 1.029 298 S CA 1.098 59.164 58.200 -0.223 0.000 0.978 298 S CB -0.172 62.922 63.200 -0.177 0.000 0.833 298 S HN 0.364 nan 8.310 nan 0.000 0.466 299 F N 1.369 121.452 119.950 0.222 0.000 2.513 299 F HA 0.526 5.059 4.527 0.010 0.000 0.358 299 F C -0.068 175.798 175.800 0.110 0.000 1.118 299 F CA -0.957 57.163 58.000 0.199 0.000 1.037 299 F CB 1.381 40.538 39.000 0.262 0.000 1.276 299 F HN -0.114 nan 8.300 nan 0.000 0.446 300 V N 0.692 120.607 119.914 0.001 0.000 3.156 300 V HA 0.778 4.904 4.120 0.010 0.000 0.311 300 V C -2.927 172.827 176.094 -0.567 0.000 1.208 300 V CA -3.321 58.641 62.300 -0.562 0.000 1.063 300 V CB 2.077 33.737 31.823 -0.272 0.000 1.098 300 V HN 0.228 nan 8.190 nan 0.000 0.452 301 P HA 0.221 nan 4.420 nan 0.000 0.266 301 P C -0.762 176.416 177.300 -0.204 0.000 1.195 301 P CA 0.416 63.261 63.100 -0.427 0.000 0.768 301 P CB 0.767 32.145 31.700 -0.538 0.000 0.838 302 V N 4.905 124.774 119.914 -0.075 0.000 2.581 302 V HA 0.250 4.376 4.120 0.010 0.000 0.303 302 V C -0.350 175.733 176.094 -0.018 0.000 1.041 302 V CA -0.882 61.396 62.300 -0.037 0.000 0.907 302 V CB 2.073 33.903 31.823 0.011 0.000 0.994 302 V HN 0.130 nan 8.190 nan 0.000 0.442 303 V N 7.273 127.177 119.914 -0.018 0.000 2.341 303 V HA 0.179 4.304 4.120 0.010 0.000 0.248 303 V C 0.790 176.895 176.094 0.020 0.000 1.107 303 V CA 0.323 62.625 62.300 0.003 0.000 1.069 303 V CB 0.089 31.906 31.823 -0.011 0.000 1.177 303 V HN 1.054 nan 8.190 nan 0.000 0.492 304 D N 2.741 123.167 120.400 0.045 0.000 2.367 304 D HA 0.118 4.763 4.640 0.010 0.000 0.207 304 D C 1.559 177.888 176.300 0.047 0.000 1.034 304 D CA 0.706 54.735 54.000 0.049 0.000 0.861 304 D CB 0.399 41.241 40.800 0.071 0.000 0.943 304 D HN 0.683 nan 8.370 nan 0.000 0.515 305 G N 0.752 109.580 108.800 0.048 0.000 2.148 305 G HA2 -0.324 3.641 3.960 0.010 0.000 0.254 305 G HA3 -0.324 3.641 3.960 0.010 0.000 0.254 305 G C 0.421 175.348 174.900 0.045 0.000 0.981 305 G CA 0.783 45.905 45.100 0.038 0.000 0.670 305 G HN 0.542 nan 8.290 nan 0.000 0.528 306 D N -1.480 118.965 120.400 0.075 0.000 3.074 306 D HA 0.226 4.872 4.640 0.010 0.000 0.227 306 D C 1.776 178.136 176.300 0.101 0.000 1.553 306 D CA 0.388 54.436 54.000 0.080 0.000 1.347 306 D CB -0.591 40.267 40.800 0.096 0.000 1.021 306 D HN 0.082 nan 8.370 nan 0.000 0.260 307 F N 1.127 121.092 119.950 0.025 0.000 2.091 307 F HA 0.133 4.665 4.527 0.009 0.000 0.299 307 F C 0.687 176.496 175.800 0.015 0.000 1.103 307 F CA 1.237 59.254 58.000 0.027 0.000 1.228 307 F CB 0.151 39.169 39.000 0.029 0.000 0.984 307 F HN -0.009 nan 8.300 nan 0.000 0.477 308 L N 0.738 122.135 121.223 0.290 0.000 2.301 308 L HA 0.178 4.524 4.340 0.010 0.000 0.278 308 L C 1.311 178.232 176.870 0.084 0.000 1.022 308 L CA -0.229 54.714 54.840 0.172 0.000 0.854 308 L CB 1.349 43.500 42.059 0.153 0.000 1.226 308 L HN 0.080 nan 8.230 nan 0.000 0.429 309 S N 0.557 116.284 115.700 0.046 0.000 2.453 309 S HA -0.006 4.469 4.470 0.010 0.000 0.231 309 S C 0.451 175.062 174.600 0.019 0.000 1.005 309 S CA 0.466 58.681 58.200 0.024 0.000 0.949 309 S CB 0.152 63.355 63.200 0.004 0.000 0.774 309 S HN 0.691 nan 8.310 nan 0.000 0.510 310 D N 0.103 120.516 120.400 0.021 0.000 2.692 310 D HA 0.287 4.933 4.640 0.010 0.000 0.303 310 D C -0.948 175.357 176.300 0.009 0.000 1.278 310 D CA 0.001 54.008 54.000 0.011 0.000 0.852 310 D CB 1.329 42.133 40.800 0.006 0.000 1.375 310 D HN 0.196 nan 8.370 nan 0.000 0.453 311 T N -0.621 113.930 114.554 -0.004 0.000 2.946 311 T HA 0.207 4.562 4.350 0.010 0.000 0.311 311 T C -1.791 172.902 174.700 -0.012 0.000 1.063 311 T CA -0.618 61.471 62.100 -0.018 0.000 1.139 311 T CB 0.917 69.768 68.868 -0.029 0.000 0.994 311 T HN 0.117 nan 8.240 nan 0.000 0.547 312 P HA -0.165 nan 4.420 nan 0.000 0.216 312 P C 1.522 178.813 177.300 -0.015 0.000 1.154 312 P CA 1.286 64.371 63.100 -0.024 0.000 0.865 312 P CB 0.063 31.719 31.700 -0.073 0.000 0.789 313 E N -0.436 119.744 120.200 -0.033 0.000 2.058 313 E HA -0.248 4.108 4.350 0.010 0.000 0.194 313 E C 1.897 178.501 176.600 0.006 0.000 0.997 313 E CA 1.500 57.887 56.400 -0.021 0.000 0.801 313 E CB -0.514 29.166 29.700 -0.034 0.000 0.746 313 E HN 0.094 nan 8.360 nan 0.000 0.450 314 A N 0.934 123.757 122.820 0.005 0.000 1.898 314 A HA -0.124 4.202 4.320 0.010 0.000 0.216 314 A C 2.227 179.832 177.584 0.035 0.000 1.181 314 A CA 1.109 53.154 52.037 0.014 0.000 0.620 314 A CB -0.556 18.447 19.000 0.004 0.000 0.819 314 A HN 0.300 nan 8.150 nan 0.000 0.442 315 L N -0.012 121.240 121.223 0.049 0.000 2.093 315 L HA -0.125 4.220 4.340 0.010 0.000 0.208 315 L C 2.606 179.587 176.870 0.184 0.000 1.085 315 L CA 1.454 56.346 54.840 0.087 0.000 0.755 315 L CB -0.665 41.448 42.059 0.090 0.000 0.904 315 L HN 0.667 nan 8.230 nan 0.000 0.435 316 I N -2.480 118.193 120.570 0.172 0.000 2.353 316 I HA -0.162 4.014 4.170 0.010 0.000 0.248 316 I C 1.982 178.230 176.117 0.218 0.000 1.119 316 I CA 1.387 62.828 61.300 0.235 0.000 1.417 316 I CB -0.474 37.561 38.000 0.058 0.000 1.078 316 I HN 0.179 nan 8.210 nan 0.000 0.421 317 N N 1.329 120.098 118.700 0.115 0.000 2.309 317 N HA -0.120 4.626 4.740 0.010 0.000 0.182 317 N C 1.803 177.360 175.510 0.078 0.000 1.018 317 N CA 2.143 55.244 53.050 0.085 0.000 0.876 317 N CB -0.319 38.195 38.487 0.045 0.000 0.972 317 N HN 0.729 nan 8.380 nan 0.000 0.434 318 T N -4.322 110.271 114.554 0.064 0.000 2.975 318 T HA 0.289 4.645 4.350 0.010 0.000 0.261 318 T C 1.028 175.685 174.700 -0.071 0.000 0.984 318 T CA -0.181 61.922 62.100 0.005 0.000 0.911 318 T CB -0.033 68.829 68.868 -0.010 0.000 1.127 318 T HN 0.052 nan 8.240 nan 0.000 0.514 319 G N 1.432 110.171 108.800 -0.102 0.000 2.630 319 G HA2 0.358 4.324 3.960 0.010 0.000 0.236 319 G HA3 0.358 4.324 3.960 0.010 0.000 0.236 319 G C -0.866 173.588 174.900 -0.744 0.000 1.248 319 G CA -0.206 44.568 45.100 -0.543 0.000 0.844 319 G HN 0.484 nan 8.290 nan 0.000 0.588 320 D N -0.326 119.564 120.400 -0.849 0.000 2.440 320 D HA 0.439 5.084 4.640 0.010 0.000 0.239 320 D C -0.549 175.389 176.300 -0.602 0.000 1.084 320 D CA -0.743 52.944 54.000 -0.523 0.000 0.843 320 D CB 0.615 41.258 40.800 -0.262 0.000 1.097 320 D HN 0.119 nan 8.370 nan 0.000 0.531 321 F N 2.385 122.342 119.950 0.010 0.000 2.908 321 F HA 0.280 4.813 4.527 0.010 0.000 0.328 321 F C 1.869 177.678 175.800 0.016 0.000 1.211 321 F CA -0.464 57.546 58.000 0.016 0.000 1.291 321 F CB 0.330 39.349 39.000 0.030 0.000 0.962 321 F HN 0.413 nan 8.300 nan 0.000 0.505 322 Q N 0.166 120.025 119.800 0.098 0.000 2.061 322 Q HA -0.178 4.168 4.340 0.010 0.000 0.204 322 Q C 0.425 176.468 176.000 0.072 0.000 0.984 322 Q CA 1.388 57.233 55.803 0.070 0.000 0.846 322 Q CB 0.103 28.855 28.738 0.023 0.000 0.902 322 Q HN 0.213 nan 8.270 nan 0.000 0.421 323 D N 0.024 120.461 120.400 0.062 0.000 2.863 323 D HA 0.203 4.849 4.640 0.010 0.000 0.323 323 D C -1.462 174.881 176.300 0.072 0.000 1.286 323 D CA -0.119 53.914 54.000 0.056 0.000 0.921 323 D CB 0.304 41.121 40.800 0.028 0.000 1.024 323 D HN -0.002 nan 8.370 nan 0.000 0.505 324 L N 1.238 122.532 121.223 0.119 0.000 2.317 324 L HA 0.397 4.743 4.340 0.010 0.000 0.281 324 L C -0.708 176.250 176.870 0.147 0.000 1.024 324 L CA -0.311 54.614 54.840 0.141 0.000 0.810 324 L CB 1.689 43.864 42.059 0.194 0.000 1.240 324 L HN -0.053 nan 8.230 nan 0.000 0.427 325 Q N 4.529 124.438 119.800 0.181 0.000 2.325 325 Q HA 0.678 5.024 4.340 0.010 0.000 0.270 325 Q C -1.277 175.018 176.000 0.493 0.000 1.020 325 Q CA -0.761 55.209 55.803 0.278 0.000 0.785 325 Q CB 2.454 31.297 28.738 0.176 0.000 1.259 325 Q HN 0.547 nan 8.270 nan 0.000 0.452 326 V N 0.292 120.428 119.914 0.370 0.000 2.656 326 V HA 0.666 4.791 4.120 0.010 0.000 0.307 326 V C -1.178 174.839 176.094 -0.127 0.000 1.051 326 V CA -1.133 61.270 62.300 0.172 0.000 0.893 326 V CB 1.630 33.480 31.823 0.045 0.000 0.999 326 V HN 0.607 nan 8.190 nan 0.000 0.426 327 L N 6.564 127.457 121.223 -0.549 0.000 2.296 327 L HA 0.882 5.228 4.340 0.010 0.000 0.286 327 L C -0.190 176.554 176.870 -0.210 0.000 1.023 327 L CA -0.230 54.258 54.840 -0.587 0.000 0.812 327 L CB 1.406 42.702 42.059 -1.272 0.000 1.223 327 L HN 0.967 nan 8.230 nan 0.000 0.421 328 V N 2.255 122.128 119.914 -0.068 0.000 2.962 328 V HA 1.131 5.257 4.120 0.010 0.000 0.313 328 V C -0.176 175.739 176.094 -0.297 0.000 1.099 328 V CA 0.157 62.403 62.300 -0.091 0.000 0.971 328 V CB 1.228 32.961 31.823 -0.150 0.000 1.028 328 V HN 1.110 nan 8.190 nan 0.000 0.430 329 G N 0.823 109.311 108.800 -0.520 0.000 2.441 329 G HA2 0.754 4.720 3.960 0.010 0.000 0.294 329 G HA3 0.754 4.720 3.960 0.010 0.000 0.294 329 G C -1.229 173.339 174.900 -0.554 0.000 1.393 329 G CA 0.081 44.436 45.100 -1.242 0.000 0.796 329 G HN 2.106 nan 8.290 nan 0.000 0.494 330 V N -2.279 117.435 119.914 -0.333 0.000 3.130 330 V HA 0.922 5.048 4.120 0.010 0.000 0.310 330 V C 0.193 176.473 176.094 0.311 0.000 1.158 330 V CA -0.389 61.957 62.300 0.077 0.000 1.029 330 V CB 1.254 33.105 31.823 0.046 0.000 1.057 330 V HN 1.881 nan 8.190 nan 0.000 0.436 331 V N -0.194 119.927 119.914 0.345 0.000 2.973 331 V HA 0.557 4.683 4.120 0.010 0.000 0.314 331 V C 1.419 177.702 176.094 0.316 0.000 1.066 331 V CA 0.021 62.569 62.300 0.413 0.000 1.021 331 V CB 1.180 33.243 31.823 0.400 0.000 1.076 331 V HN 1.109 nan 8.190 nan 0.000 0.462 332 K N -0.053 120.529 120.400 0.304 0.000 2.209 332 K HA -0.078 4.248 4.320 0.010 0.000 0.204 332 K C 0.306 177.026 176.600 0.200 0.000 1.048 332 K CA 1.829 58.250 56.287 0.224 0.000 0.940 332 K CB 0.088 32.700 32.500 0.187 0.000 0.729 332 K HN 0.909 nan 8.250 nan 0.000 0.451 333 D N 0.890 121.417 120.400 0.212 0.000 2.739 333 D HA 0.027 4.673 4.640 0.010 0.000 0.335 333 D C 0.057 176.484 176.300 0.211 0.000 1.216 333 D CA -0.091 54.021 54.000 0.186 0.000 0.808 333 D CB 1.284 42.173 40.800 0.148 0.000 1.121 333 D HN 0.114 nan 8.370 nan 0.000 0.499 334 E N 0.511 120.846 120.200 0.225 0.000 2.118 334 E HA -0.119 4.237 4.350 0.010 0.000 0.195 334 E C 1.940 178.712 176.600 0.287 0.000 0.992 334 E CA 0.800 57.365 56.400 0.275 0.000 0.804 334 E CB 0.173 29.994 29.700 0.202 0.000 0.741 334 E HN 0.441 nan 8.360 nan 0.000 0.458 335 G N 0.796 109.723 108.800 0.212 0.000 2.662 335 G HA2 -0.146 3.820 3.960 0.010 0.000 0.212 335 G HA3 -0.146 3.820 3.960 0.010 0.000 0.212 335 G C 1.703 176.757 174.900 0.256 0.000 1.141 335 G CA 0.781 46.022 45.100 0.235 0.000 0.797 335 G HN 0.357 nan 8.290 nan 0.000 0.531 336 S N 1.706 117.511 115.700 0.175 0.000 2.359 336 S HA -0.093 4.383 4.470 0.010 0.000 0.223 336 S C 2.545 177.148 174.600 0.006 0.000 1.039 336 S CA 1.714 59.993 58.200 0.132 0.000 1.042 336 S CB -0.696 62.540 63.200 0.061 0.000 0.915 336 S HN 0.561 nan 8.310 nan 0.000 0.439 337 A N 0.134 122.853 122.820 -0.168 0.000 2.119 337 A HA 0.281 4.607 4.320 0.010 0.000 0.217 337 A C 1.728 179.169 177.584 -0.238 0.000 1.153 337 A CA 0.662 52.448 52.037 -0.418 0.000 0.692 337 A CB -0.945 17.570 19.000 -0.809 0.000 0.799 337 A HN 0.561 nan 8.150 nan 0.000 0.458 338 F N -0.143 119.767 119.950 -0.067 0.000 2.502 338 F HA 0.035 4.568 4.527 0.009 0.000 0.298 338 F C 1.815 177.659 175.800 0.073 0.000 1.111 338 F CA 0.691 58.677 58.000 -0.023 0.000 1.445 338 F CB -0.173 38.757 39.000 -0.117 0.000 1.081 338 F HN 0.134 nan 8.300 nan 0.000 0.558 339 L N -0.321 120.993 121.223 0.152 0.000 2.217 339 L HA -0.098 4.247 4.340 0.010 0.000 0.211 339 L C 2.241 179.176 176.870 0.109 0.000 1.107 339 L CA 0.696 55.514 54.840 -0.036 0.000 0.783 339 L CB -0.699 41.083 42.059 -0.461 0.000 0.919 339 L HN 0.121 nan 8.230 nan 0.000 0.442 340 V N -5.040 115.001 119.914 0.212 0.000 3.461 340 V HA -0.134 3.991 4.120 0.010 0.000 0.267 340 V C 1.159 177.203 176.094 -0.083 0.000 1.186 340 V CA 0.648 63.050 62.300 0.170 0.000 1.154 340 V CB -1.168 30.806 31.823 0.251 0.000 0.802 340 V HN 0.286 nan 8.190 nan 0.000 0.474 341 Y N 1.872 122.237 120.300 0.109 0.000 2.718 341 Y HA 0.671 5.226 4.550 0.009 0.000 0.322 341 Y C 1.637 177.588 175.900 0.085 0.000 1.122 341 Y CA 0.290 58.424 58.100 0.056 0.000 1.348 341 Y CB 0.496 38.963 38.460 0.012 0.000 1.174 341 Y HN 0.388 nan 8.280 nan 0.000 0.523 342 G N -1.509 107.399 108.800 0.180 0.000 3.509 342 G HA2 -0.132 3.834 3.960 0.010 0.000 0.220 342 G HA3 -0.132 3.834 3.960 0.010 0.000 0.220 342 G C -0.593 174.403 174.900 0.161 0.000 0.951 342 G CA -0.507 44.700 45.100 0.178 0.000 0.844 342 G HN -0.030 nan 8.290 nan 0.000 0.568 343 V N 3.412 123.428 119.914 0.170 0.000 2.427 343 V HA 0.372 4.497 4.120 0.010 0.000 0.268 343 V C -1.775 174.502 176.094 0.305 0.000 1.046 343 V CA -1.294 61.135 62.300 0.215 0.000 0.970 343 V CB 0.861 32.780 31.823 0.159 0.000 1.001 343 V HN 0.124 nan 8.190 nan 0.000 0.476 344 P HA 0.282 nan 4.420 nan 0.000 0.265 344 P C 1.000 178.392 177.300 0.153 0.000 1.193 344 P CA 1.091 64.285 63.100 0.157 0.000 0.765 344 P CB 0.737 32.495 31.700 0.097 0.000 0.823 345 G N 1.105 109.934 108.800 0.049 0.000 2.218 345 G HA2 -0.194 3.772 3.960 0.010 0.000 0.216 345 G HA3 -0.194 3.772 3.960 0.010 0.000 0.216 345 G C -0.261 174.425 174.900 -0.358 0.000 0.994 345 G CA -0.604 44.389 45.100 -0.178 0.000 0.637 345 G HN 0.397 nan 8.290 nan 0.000 0.505 346 F N 1.652 121.618 119.950 0.027 0.000 2.436 346 F HA 0.799 5.331 4.527 0.009 0.000 0.340 346 F C 0.540 176.430 175.800 0.150 0.000 1.113 346 F CA -0.226 57.811 58.000 0.062 0.000 1.022 346 F CB 2.287 41.363 39.000 0.128 0.000 1.128 346 F HN 0.142 nan 8.300 nan 0.000 0.466 347 S N 1.756 117.681 115.700 0.374 0.000 2.579 347 S HA 0.314 4.790 4.470 0.010 0.000 0.272 347 S C 0.374 175.267 174.600 0.488 0.000 1.141 347 S CA -0.849 57.575 58.200 0.374 0.000 0.843 347 S CB 1.504 64.831 63.200 0.212 0.000 1.122 347 S HN 0.777 nan 8.310 nan 0.000 0.468 348 K N 1.081 121.664 120.400 0.305 0.000 2.366 348 K HA 0.115 4.441 4.320 0.010 0.000 0.198 348 K C 0.060 176.667 176.600 0.013 0.000 1.044 348 K CA 1.108 57.456 56.287 0.101 0.000 0.973 348 K CB -0.093 32.180 32.500 -0.378 0.000 0.767 348 K HN 0.461 nan 8.250 nan 0.000 0.475 349 D N 0.940 121.345 120.400 0.008 0.000 2.350 349 D HA -0.002 4.644 4.640 0.010 0.000 0.213 349 D C -0.123 176.209 176.300 0.055 0.000 1.031 349 D CA 0.307 54.293 54.000 -0.023 0.000 0.861 349 D CB 0.103 40.872 40.800 -0.052 0.000 0.926 349 D HN 0.484 nan 8.370 nan 0.000 0.520 350 N N -0.766 118.009 118.700 0.124 0.000 3.038 350 N HA 0.104 4.850 4.740 0.010 0.000 0.307 350 N C 0.529 176.114 175.510 0.124 0.000 1.441 350 N CA -0.484 52.618 53.050 0.087 0.000 0.772 350 N CB 0.946 39.439 38.487 0.011 0.000 1.651 350 N HN -0.446 nan 8.380 nan 0.000 0.593 351 E N -0.558 119.629 120.200 -0.021 0.000 2.427 351 E HA 0.031 4.387 4.350 0.010 0.000 0.196 351 E C -0.318 175.943 176.600 -0.565 0.000 1.028 351 E CA 0.415 56.722 56.400 -0.155 0.000 0.864 351 E CB -0.583 29.059 29.700 -0.098 0.000 0.813 351 E HN 0.603 nan 8.360 nan 0.000 0.514 352 S N -0.066 115.350 115.700 -0.474 0.000 3.587 352 S HA -0.192 4.284 4.470 0.010 0.000 0.337 352 S C 0.361 174.548 174.600 -0.689 0.000 1.119 352 S CA 0.155 57.946 58.200 -0.681 0.000 0.976 352 S CB -1.865 60.749 63.200 -0.977 0.000 0.922 352 S HN 0.288 nan 8.310 nan 0.000 0.503 353 L N 1.676 122.637 121.223 -0.437 0.000 2.462 353 L HA 0.361 4.707 4.340 0.010 0.000 0.272 353 L C 0.720 177.394 176.870 -0.328 0.000 1.166 353 L CA 0.280 54.922 54.840 -0.330 0.000 0.880 353 L CB 0.021 41.954 42.059 -0.209 0.000 1.142 353 L HN 0.444 nan 8.230 nan 0.000 0.473 354 I N 0.140 120.526 120.570 -0.306 0.000 2.910 354 I HA 0.639 4.815 4.170 0.010 0.000 0.310 354 I C 0.359 176.404 176.117 -0.120 0.000 1.043 354 I CA -0.689 60.461 61.300 -0.250 0.000 1.053 354 I CB 2.086 39.901 38.000 -0.307 0.000 1.242 354 I HN 0.555 nan 8.210 nan 0.000 0.452 355 S N 2.579 118.238 115.700 -0.067 0.000 2.669 355 S HA 0.388 4.864 4.470 0.010 0.000 0.270 355 S C 0.947 175.575 174.600 0.047 0.000 1.225 355 S CA -0.450 57.740 58.200 -0.017 0.000 0.991 355 S CB 1.597 64.791 63.200 -0.010 0.000 0.987 355 S HN 0.892 nan 8.310 nan 0.000 0.552 356 R N 0.569 121.103 120.500 0.058 0.000 2.096 356 R HA -0.065 4.281 4.340 0.010 0.000 0.235 356 R C 2.331 178.721 176.300 0.149 0.000 1.127 356 R CA 1.582 57.756 56.100 0.124 0.000 0.968 356 R CB -1.086 29.262 30.300 0.080 0.000 0.861 356 R HN 0.840 nan 8.270 nan 0.000 0.440 357 A N 0.537 123.409 122.820 0.087 0.000 1.902 357 A HA -0.209 4.117 4.320 0.010 0.000 0.217 357 A C 2.013 179.643 177.584 0.076 0.000 1.181 357 A CA 1.515 53.593 52.037 0.068 0.000 0.623 357 A CB -0.450 18.576 19.000 0.043 0.000 0.818 357 A HN 0.510 nan 8.150 nan 0.000 0.443 358 Q N -1.898 117.953 119.800 0.084 0.000 2.167 358 Q HA -0.092 4.254 4.340 0.010 0.000 0.202 358 Q C 1.877 177.984 176.000 0.178 0.000 0.970 358 Q CA 1.345 57.206 55.803 0.096 0.000 0.855 358 Q CB -0.267 28.497 28.738 0.043 0.000 0.911 358 Q HN 0.805 nan 8.270 nan 0.000 0.438 359 F N 1.125 121.104 119.950 0.048 0.000 2.113 359 F HA -0.238 4.294 4.527 0.009 0.000 0.297 359 F C 1.967 177.804 175.800 0.062 0.000 1.103 359 F CA 0.681 58.721 58.000 0.067 0.000 1.248 359 F CB -0.015 39.008 39.000 0.038 0.000 0.999 359 F HN 0.092 nan 8.300 nan 0.000 0.475 360 L N 1.250 122.402 121.223 -0.118 0.000 2.042 360 L HA -0.091 4.255 4.340 0.010 0.000 0.210 360 L C 2.346 179.140 176.870 -0.127 0.000 1.076 360 L CA 2.132 56.856 54.840 -0.192 0.000 0.749 360 L CB -1.576 40.456 42.059 -0.046 0.000 0.893 360 L HN 0.191 nan 8.230 nan 0.000 0.432 361 A N -0.603 122.196 122.820 -0.035 0.000 1.930 361 A HA 0.010 4.335 4.320 0.010 0.000 0.217 361 A C 2.339 179.922 177.584 -0.000 0.000 1.175 361 A CA 1.312 53.347 52.037 -0.003 0.000 0.627 361 A CB -1.456 17.565 19.000 0.034 0.000 0.815 361 A HN 0.524 nan 8.150 nan 0.000 0.443 362 G N -0.671 108.139 108.800 0.017 0.000 2.422 362 G HA2 -0.071 3.894 3.960 0.010 0.000 0.218 362 G HA3 -0.071 3.894 3.960 0.010 0.000 0.218 362 G C 1.455 176.322 174.900 -0.056 0.000 1.140 362 G CA 1.154 46.278 45.100 0.039 0.000 0.775 362 G HN 0.302 nan 8.290 nan 0.000 0.545 363 V N 0.848 120.651 119.914 -0.184 0.000 2.427 363 V HA -0.095 4.031 4.120 0.010 0.000 0.248 363 V C 2.927 178.964 176.094 -0.094 0.000 1.051 363 V CA 1.382 63.562 62.300 -0.200 0.000 1.048 363 V CB -0.337 31.265 31.823 -0.368 0.000 0.666 363 V HN 0.211 nan 8.190 nan 0.000 0.456 364 R N -0.168 120.287 120.500 -0.075 0.000 2.152 364 R HA 0.011 4.357 4.340 0.010 0.000 0.232 364 R C 1.993 178.280 176.300 -0.022 0.000 1.117 364 R CA 1.345 57.422 56.100 -0.038 0.000 0.981 364 R CB -0.675 29.609 30.300 -0.028 0.000 0.870 364 R HN 0.482 nan 8.270 nan 0.000 0.451 365 I N -0.845 119.718 120.570 -0.012 0.000 2.585 365 I HA -0.026 4.150 4.170 0.010 0.000 0.254 365 I C 2.252 178.373 176.117 0.007 0.000 1.129 365 I CA 1.096 62.399 61.300 0.006 0.000 1.455 365 I CB -0.384 37.636 38.000 0.034 0.000 1.111 365 I HN 0.153 nan 8.210 nan 0.000 0.433 366 G N 0.471 109.270 108.800 -0.002 0.000 2.484 366 G HA2 -0.025 3.941 3.960 0.010 0.000 0.218 366 G HA3 -0.025 3.941 3.960 0.010 0.000 0.218 366 G C 0.824 175.731 174.900 0.012 0.000 1.130 366 G CA 0.425 45.527 45.100 0.003 0.000 0.784 366 G HN 0.238 nan 8.290 nan 0.000 0.543 367 V N 1.770 121.674 119.914 -0.018 0.000 2.361 367 V HA 0.220 4.346 4.120 0.010 0.000 0.252 367 V C -1.540 174.546 176.094 -0.013 0.000 0.986 367 V CA -1.094 61.175 62.300 -0.052 0.000 1.033 367 V CB 1.513 33.284 31.823 -0.086 0.000 1.282 367 V HN 0.051 nan 8.190 nan 0.000 0.514 368 P HA -0.140 nan 4.420 nan 0.000 0.222 368 P C 0.987 178.279 177.300 -0.013 0.000 1.147 368 P CA 1.039 64.132 63.100 -0.012 0.000 0.790 368 P CB 0.391 32.074 31.700 -0.028 0.000 0.780 369 Q N -0.051 119.753 119.800 0.006 0.000 2.472 369 Q HA 0.210 4.556 4.340 0.010 0.000 0.208 369 Q C 1.047 177.042 176.000 -0.008 0.000 0.958 369 Q CA 0.341 56.144 55.803 0.001 0.000 0.932 369 Q CB -0.767 27.985 28.738 0.024 0.000 1.007 369 Q HN 0.154 nan 8.270 nan 0.000 0.508 370 A N 1.284 124.098 122.820 -0.010 0.000 2.363 370 A HA 0.503 4.829 4.320 0.010 0.000 0.270 370 A C 0.426 177.999 177.584 -0.018 0.000 1.121 370 A CA -0.468 51.559 52.037 -0.016 0.000 0.800 370 A CB 0.379 19.371 19.000 -0.012 0.000 1.052 370 A HN 0.338 nan 8.150 nan 0.000 0.493 371 S N 1.768 117.455 115.700 -0.022 0.000 2.606 371 S HA 0.093 4.569 4.470 0.010 0.000 0.257 371 S C 0.364 174.960 174.600 -0.006 0.000 1.327 371 S CA 0.530 58.720 58.200 -0.017 0.000 0.984 371 S CB 0.236 63.423 63.200 -0.023 0.000 0.941 371 S HN 0.618 nan 8.310 nan 0.000 0.576 372 D N 0.170 120.569 120.400 -0.001 0.000 2.144 372 D HA -0.062 4.583 4.640 0.010 0.000 0.199 372 D C 1.725 178.039 176.300 0.023 0.000 0.984 372 D CA 0.862 54.868 54.000 0.009 0.000 0.834 372 D CB -0.343 40.463 40.800 0.010 0.000 0.955 372 D HN 0.348 nan 8.370 nan 0.000 0.465 373 L N 0.735 121.971 121.223 0.021 0.000 2.012 373 L HA -0.084 4.262 4.340 0.010 0.000 0.210 373 L C 2.062 178.967 176.870 0.058 0.000 1.073 373 L CA 1.704 56.568 54.840 0.039 0.000 0.748 373 L CB -0.913 41.161 42.059 0.026 0.000 0.891 373 L HN 0.040 nan 8.230 nan 0.000 0.431 374 A N -0.894 121.942 122.820 0.027 0.000 1.898 374 A HA -0.038 4.287 4.320 0.010 0.000 0.216 374 A C 2.423 180.047 177.584 0.066 0.000 1.181 374 A CA 1.603 53.657 52.037 0.028 0.000 0.620 374 A CB -1.059 17.921 19.000 -0.034 0.000 0.819 374 A HN 0.530 nan 8.150 nan 0.000 0.442 375 A N -0.460 122.384 122.820 0.040 0.000 1.933 375 A HA -0.133 4.193 4.320 0.010 0.000 0.218 375 A C 1.977 179.593 177.584 0.054 0.000 1.175 375 A CA 2.106 54.161 52.037 0.029 0.000 0.628 375 A CB -0.399 18.599 19.000 -0.003 0.000 0.814 375 A HN 0.473 nan 8.150 nan 0.000 0.444 376 E N 0.182 120.427 120.200 0.075 0.000 2.107 376 E HA 0.017 4.373 4.350 0.010 0.000 0.191 376 E C 2.064 178.756 176.600 0.153 0.000 0.982 376 E CA 1.300 57.762 56.400 0.103 0.000 0.809 376 E CB -0.494 29.263 29.700 0.094 0.000 0.756 376 E HN 0.452 nan 8.360 nan 0.000 0.459 377 A N 0.098 123.029 122.820 0.185 0.000 1.883 377 A HA -0.179 4.146 4.320 0.010 0.000 0.217 377 A C 2.505 180.215 177.584 0.210 0.000 1.186 377 A CA 1.806 54.004 52.037 0.268 0.000 0.624 377 A CB -0.919 18.350 19.000 0.448 0.000 0.822 377 A HN 0.187 nan 8.150 nan 0.000 0.444 378 V N -0.524 119.523 119.914 0.222 0.000 2.287 378 V HA -0.251 3.875 4.120 0.010 0.000 0.248 378 V C 2.574 178.825 176.094 0.261 0.000 1.053 378 V CA 2.098 64.499 62.300 0.169 0.000 1.027 378 V CB -0.793 31.124 31.823 0.157 0.000 0.646 378 V HN 0.377 nan 8.190 nan 0.000 0.447 379 V N -0.289 119.738 119.914 0.188 0.000 2.343 379 V HA -0.233 3.893 4.120 0.010 0.000 0.247 379 V C 2.239 178.544 176.094 0.351 0.000 1.051 379 V CA 1.946 64.397 62.300 0.252 0.000 1.036 379 V CB -0.452 31.436 31.823 0.110 0.000 0.654 379 V HN 0.454 nan 8.190 nan 0.000 0.451 380 L N -0.825 120.593 121.223 0.325 0.000 2.093 380 L HA -0.166 4.180 4.340 0.010 0.000 0.208 380 L C 2.532 179.629 176.870 0.379 0.000 1.085 380 L CA 1.796 56.924 54.840 0.479 0.000 0.755 380 L CB -0.797 41.483 42.059 0.369 0.000 0.904 380 L HN 0.423 nan 8.230 nan 0.000 0.435 381 H N -0.709 118.371 119.070 0.017 0.000 2.387 381 H HA -0.183 4.378 4.556 0.008 0.000 0.299 381 H C 1.788 177.009 175.328 -0.179 0.000 1.090 381 H CA 1.863 57.764 56.048 -0.245 0.000 1.332 381 H CB 0.056 29.308 29.762 -0.850 0.000 1.386 381 H HN 0.250 nan 8.280 nan 0.000 0.516 382 Y N -0.232 120.129 120.300 0.101 0.000 2.500 382 Y HA 0.116 4.673 4.550 0.011 0.000 0.270 382 Y C 0.833 176.757 175.900 0.041 0.000 1.134 382 Y CA 0.356 58.530 58.100 0.124 0.000 1.293 382 Y CB 0.261 38.914 38.460 0.321 0.000 1.063 382 Y HN 0.023 nan 8.280 nan 0.000 0.534 383 T N 1.375 115.942 114.554 0.021 0.000 2.928 383 T HA -0.071 4.284 4.350 0.010 0.000 0.305 383 T C -0.204 174.188 174.700 -0.513 0.000 1.035 383 T CA -0.150 61.703 62.100 -0.412 0.000 1.145 383 T CB 0.271 68.482 68.868 -1.095 0.000 0.963 383 T HN 0.071 nan 8.240 nan 0.000 0.545 384 D N 2.000 122.098 120.400 -0.505 0.000 2.422 384 D HA 0.106 4.752 4.640 0.010 0.000 0.227 384 D C 0.165 176.194 176.300 -0.452 0.000 1.190 384 D CA -0.751 52.937 54.000 -0.521 0.000 0.905 384 D CB 0.167 40.463 40.800 -0.839 0.000 1.034 384 D HN 0.597 nan 8.370 nan 0.000 0.507 385 W N 3.041 124.269 121.300 -0.120 0.000 2.538 385 W HA -0.000 4.665 4.660 0.008 0.000 0.254 385 W C 1.974 178.409 176.519 -0.140 0.000 1.249 385 W CA -0.148 57.138 57.345 -0.099 0.000 1.253 385 W CB -0.040 29.372 29.460 -0.081 0.000 1.130 385 W HN 0.431 nan 8.180 nan 0.000 0.618 386 L N -1.252 119.925 121.223 -0.077 0.000 2.179 386 L HA -0.073 4.273 4.340 0.010 0.000 0.208 386 L C 0.234 176.812 176.870 -0.488 0.000 1.096 386 L CA 1.170 55.836 54.840 -0.292 0.000 0.779 386 L CB -0.192 41.625 42.059 -0.403 0.000 0.922 386 L HN 0.028 nan 8.230 nan 0.000 0.443 387 H N -1.592 117.406 119.070 -0.120 0.000 2.511 387 H HA 0.156 4.717 4.556 0.009 0.000 0.228 387 H C -1.867 173.360 175.328 -0.168 0.000 1.424 387 H CA -1.187 54.788 56.048 -0.121 0.000 1.321 387 H CB 0.294 29.980 29.762 -0.127 0.000 1.720 387 H HN 0.003 nan 8.280 nan 0.000 0.512 388 P HA -0.109 nan 4.420 nan 0.000 0.234 388 P C 0.546 177.779 177.300 -0.112 0.000 1.167 388 P CA 1.013 63.993 63.100 -0.201 0.000 0.763 388 P CB 0.663 32.233 31.700 -0.217 0.000 0.835 389 E N -0.490 119.685 120.200 -0.041 0.000 2.562 389 E HA 0.042 4.398 4.350 0.010 0.000 0.214 389 E C -0.108 176.477 176.600 -0.024 0.000 0.979 389 E CA -0.112 56.274 56.400 -0.024 0.000 1.002 389 E CB 0.065 29.763 29.700 -0.003 0.000 1.048 389 E HN 0.288 nan 8.360 nan 0.000 0.488 390 D N 3.224 123.615 120.400 -0.015 0.000 2.389 390 D HA -0.019 4.627 4.640 0.010 0.000 0.263 390 D C -1.278 174.997 176.300 -0.040 0.000 1.255 390 D CA -1.310 52.676 54.000 -0.023 0.000 0.914 390 D CB 1.177 41.964 40.800 -0.022 0.000 1.116 390 D HN -0.117 nan 8.370 nan 0.000 0.502 391 P HA -0.114 nan 4.420 nan 0.000 0.221 391 P C 1.037 178.266 177.300 -0.118 0.000 1.150 391 P CA 0.811 63.852 63.100 -0.098 0.000 0.800 391 P CB 0.247 31.884 31.700 -0.105 0.000 0.787 392 T N -1.078 113.424 114.554 -0.086 0.000 2.812 392 T HA -0.156 4.199 4.350 0.010 0.000 0.264 392 T C 1.809 176.472 174.700 -0.062 0.000 1.042 392 T CA 1.539 63.593 62.100 -0.076 0.000 1.140 392 T CB -1.010 67.832 68.868 -0.045 0.000 0.870 392 T HN 0.268 nan 8.240 nan 0.000 0.445 393 H N 0.926 119.929 119.070 -0.112 0.000 2.389 393 H HA 0.112 4.673 4.556 0.009 0.000 0.299 393 H C 1.969 177.186 175.328 -0.185 0.000 1.081 393 H CA 1.159 57.136 56.048 -0.119 0.000 1.345 393 H CB -0.467 29.222 29.762 -0.122 0.000 1.393 393 H HN 0.228 nan 8.280 nan 0.000 0.520 394 L N 0.051 121.110 121.223 -0.273 0.000 2.046 394 L HA -0.168 4.178 4.340 0.010 0.000 0.208 394 L C 2.886 179.592 176.870 -0.275 0.000 1.077 394 L CA 1.486 56.066 54.840 -0.435 0.000 0.747 394 L CB -0.499 41.391 42.059 -0.281 0.000 0.896 394 L HN 0.282 nan 8.230 nan 0.000 0.432 395 R N 0.549 120.964 120.500 -0.142 0.000 2.096 395 R HA -0.213 4.133 4.340 0.010 0.000 0.240 395 R C 1.656 177.987 176.300 0.052 0.000 1.139 395 R CA 2.331 58.439 56.100 0.014 0.000 0.952 395 R CB -0.459 29.746 30.300 -0.159 0.000 0.854 395 R HN 0.360 nan 8.270 nan 0.000 0.436 396 D N 0.131 120.485 120.400 -0.076 0.000 2.183 396 D HA -0.049 4.597 4.640 0.010 0.000 0.203 396 D C 1.722 177.964 176.300 -0.098 0.000 0.969 396 D CA 1.310 55.287 54.000 -0.038 0.000 0.842 396 D CB -0.192 40.577 40.800 -0.052 0.000 0.957 396 D HN 0.381 nan 8.370 nan 0.000 0.484 397 A N 0.657 123.288 122.820 -0.315 0.000 1.930 397 A HA -0.140 4.186 4.320 0.010 0.000 0.217 397 A C 2.127 179.715 177.584 0.006 0.000 1.175 397 A CA 1.353 53.257 52.037 -0.221 0.000 0.627 397 A CB -0.441 18.239 19.000 -0.534 0.000 0.815 397 A HN 0.142 nan 8.150 nan 0.000 0.443 398 M N -0.011 119.658 119.600 0.114 0.000 2.117 398 M HA -0.090 4.396 4.480 0.010 0.000 0.262 398 M C 2.287 178.623 176.300 0.060 0.000 1.065 398 M CA 2.112 57.566 55.300 0.257 0.000 1.114 398 M CB -0.527 32.285 32.600 0.354 0.000 1.361 398 M HN 0.413 nan 8.290 nan 0.000 0.408 399 S N -0.341 115.398 115.700 0.064 0.000 2.355 399 S HA -0.062 4.414 4.470 0.010 0.000 0.222 399 S C 2.057 176.701 174.600 0.073 0.000 1.031 399 S CA 1.452 59.702 58.200 0.084 0.000 0.993 399 S CB -0.579 62.731 63.200 0.184 0.000 0.859 399 S HN 0.612 nan 8.310 nan 0.000 0.453 400 A N 0.863 123.732 122.820 0.082 0.000 1.930 400 A HA 0.038 4.364 4.320 0.010 0.000 0.217 400 A C 2.355 179.951 177.584 0.020 0.000 1.175 400 A CA 1.628 53.741 52.037 0.127 0.000 0.627 400 A CB -1.069 18.095 19.000 0.274 0.000 0.815 400 A HN 0.456 nan 8.150 nan 0.000 0.443 401 V N -0.382 119.407 119.914 -0.208 0.000 2.287 401 V HA -0.260 3.866 4.120 0.010 0.000 0.248 401 V C 2.580 178.592 176.094 -0.137 0.000 1.053 401 V CA 2.192 64.314 62.300 -0.296 0.000 1.027 401 V CB -0.706 30.956 31.823 -0.269 0.000 0.646 401 V HN 0.388 nan 8.190 nan 0.000 0.447 402 V N 0.501 120.362 119.914 -0.089 0.000 2.358 402 V HA -0.128 3.998 4.120 0.010 0.000 0.246 402 V C 2.578 178.571 176.094 -0.169 0.000 1.047 402 V CA 2.082 64.322 62.300 -0.100 0.000 1.035 402 V CB -1.245 30.564 31.823 -0.024 0.000 0.658 402 V HN 0.612 nan 8.190 nan 0.000 0.452 403 G N -0.284 108.472 108.800 -0.074 0.000 2.404 403 G HA2 -0.233 3.733 3.960 0.010 0.000 0.215 403 G HA3 -0.233 3.733 3.960 0.010 0.000 0.215 403 G C 1.220 176.040 174.900 -0.133 0.000 1.174 403 G CA 1.019 46.084 45.100 -0.058 0.000 0.780 403 G HN 0.497 nan 8.290 nan 0.000 0.537 404 D N -0.245 120.091 120.400 -0.106 0.000 2.097 404 D HA -0.095 4.551 4.640 0.010 0.000 0.195 404 D C 2.102 178.084 176.300 -0.530 0.000 0.989 404 D CA 1.321 55.221 54.000 -0.166 0.000 0.827 404 D CB -0.450 40.416 40.800 0.110 0.000 0.966 404 D HN 0.438 nan 8.370 nan 0.000 0.456 405 H N 0.471 118.983 119.070 -0.930 0.000 2.395 405 H HA 0.068 4.630 4.556 0.009 0.000 0.299 405 H C 1.418 176.357 175.328 -0.648 0.000 1.070 405 H CA 1.453 56.789 56.048 -1.187 0.000 1.356 405 H CB 0.115 29.107 29.762 -1.283 0.000 1.401 405 H HN -0.017 nan 8.280 nan 0.000 0.524 406 N N -0.834 117.436 118.700 -0.716 0.000 2.415 406 N HA 0.019 4.765 4.740 0.010 0.000 0.174 406 N C 1.065 176.319 175.510 -0.426 0.000 1.048 406 N CA 1.046 53.616 53.050 -0.800 0.000 0.895 406 N CB 1.199 38.714 38.487 -1.620 0.000 1.036 406 N HN 0.276 nan 8.380 nan 0.000 0.449 407 V N -0.602 119.123 119.914 -0.314 0.000 3.442 407 V HA 0.060 4.186 4.120 0.010 0.000 0.205 407 V C 2.139 178.182 176.094 -0.086 0.000 1.320 407 V CA 0.168 62.410 62.300 -0.097 0.000 1.306 407 V CB -0.086 31.748 31.823 0.019 0.000 1.267 407 V HN -0.187 nan 8.190 nan 0.000 0.538 408 V N 0.166 120.030 119.914 -0.083 0.000 2.287 408 V HA -0.297 3.828 4.120 0.010 0.000 0.248 408 V C 2.457 178.507 176.094 -0.074 0.000 1.053 408 V CA 2.640 64.907 62.300 -0.055 0.000 1.027 408 V CB -0.813 31.007 31.823 -0.006 0.000 0.646 408 V HN 0.675 nan 8.190 nan 0.000 0.447 409 c N -0.665 117.879 118.600 -0.092 0.000 2.467 409 c HA 0.053 4.629 4.570 0.010 0.000 0.279 409 c C 0.484 174.532 174.090 -0.069 0.000 1.347 409 c CA 0.656 56.959 56.329 -0.042 0.000 1.748 409 c CB -1.591 40.930 42.510 0.018 0.000 1.977 409 c HN 0.461 nan 8.230 nan 0.000 0.501 410 P HA -0.049 nan 4.420 nan 0.000 0.217 410 P C 1.773 179.000 177.300 -0.121 0.000 1.150 410 P CA 1.236 64.254 63.100 -0.137 0.000 0.832 410 P CB -0.124 31.458 31.700 -0.198 0.000 0.787 411 V N 0.296 120.141 119.914 -0.116 0.000 2.295 411 V HA -0.273 3.853 4.120 0.010 0.000 0.246 411 V C 2.442 178.435 176.094 -0.167 0.000 1.049 411 V CA 2.361 64.581 62.300 -0.134 0.000 1.024 411 V CB -1.687 30.059 31.823 -0.128 0.000 0.648 411 V HN 0.101 nan 8.190 nan 0.000 0.447 412 A N -0.517 122.219 122.820 -0.139 0.000 1.902 412 A HA -0.307 4.019 4.320 0.010 0.000 0.217 412 A C 2.204 179.739 177.584 -0.082 0.000 1.181 412 A CA 2.149 54.105 52.037 -0.134 0.000 0.623 412 A CB -0.575 18.395 19.000 -0.051 0.000 0.818 412 A HN 0.589 nan 8.150 nan 0.000 0.443 413 Q N -0.647 119.124 119.800 -0.048 0.000 2.077 413 Q HA -0.203 4.143 4.340 0.010 0.000 0.206 413 Q C 1.889 177.856 176.000 -0.055 0.000 0.989 413 Q CA 2.037 57.824 55.803 -0.026 0.000 0.853 413 Q CB -0.449 28.273 28.738 -0.028 0.000 0.907 413 Q HN 0.512 nan 8.270 nan 0.000 0.418 414 L N 0.253 121.415 121.223 -0.101 0.000 1.989 414 L HA -0.138 4.208 4.340 0.010 0.000 0.211 414 L C 2.246 179.028 176.870 -0.147 0.000 1.071 414 L CA 2.447 57.210 54.840 -0.129 0.000 0.749 414 L CB -1.174 40.796 42.059 -0.148 0.000 0.890 414 L HN 0.329 nan 8.230 nan 0.000 0.431 415 A N -0.573 122.119 122.820 -0.214 0.000 1.883 415 A HA -0.144 4.182 4.320 0.010 0.000 0.217 415 A C 2.367 179.913 177.584 -0.063 0.000 1.186 415 A CA 1.875 53.732 52.037 -0.300 0.000 0.624 415 A CB -1.747 16.798 19.000 -0.758 0.000 0.822 415 A HN 0.568 nan 8.150 nan 0.000 0.444 416 G N -0.671 108.156 108.800 0.045 0.000 2.491 416 G HA2 -0.291 3.674 3.960 0.010 0.000 0.218 416 G HA3 -0.291 3.674 3.960 0.010 0.000 0.218 416 G C 1.729 176.699 174.900 0.117 0.000 1.180 416 G CA 1.119 46.342 45.100 0.204 0.000 0.774 416 G HN 0.393 nan 8.290 nan 0.000 0.562 417 R N 0.176 120.707 120.500 0.051 0.000 2.066 417 R HA 0.128 4.474 4.340 0.010 0.000 0.232 417 R C 2.778 179.118 176.300 0.065 0.000 1.131 417 R CA 0.602 56.738 56.100 0.059 0.000 0.955 417 R CB -1.240 29.087 30.300 0.044 0.000 0.851 417 R HN 0.433 nan 8.270 nan 0.000 0.432 418 L N 0.192 121.389 121.223 -0.043 0.000 2.013 418 L HA -0.185 4.161 4.340 0.010 0.000 0.212 418 L C 2.534 179.437 176.870 0.056 0.000 1.073 418 L CA 1.731 56.514 54.840 -0.095 0.000 0.753 418 L CB -0.797 41.116 42.059 -0.243 0.000 0.890 418 L HN 0.162 nan 8.230 nan 0.000 0.432 419 A N -0.099 122.771 122.820 0.083 0.000 1.972 419 A HA -0.095 4.231 4.320 0.010 0.000 0.219 419 A C 2.466 180.109 177.584 0.098 0.000 1.169 419 A CA 1.587 53.692 52.037 0.115 0.000 0.635 419 A CB -0.569 18.554 19.000 0.204 0.000 0.810 419 A HN 0.425 nan 8.150 nan 0.000 0.446 420 A N -1.300 121.583 122.820 0.104 0.000 2.066 420 A HA -0.007 4.319 4.320 0.010 0.000 0.218 420 A C 1.591 179.233 177.584 0.096 0.000 1.157 420 A CA 1.258 53.347 52.037 0.087 0.000 0.670 420 A CB -0.162 18.888 19.000 0.083 0.000 0.804 420 A HN 0.583 nan 8.150 nan 0.000 0.453 421 Q N -1.759 118.127 119.800 0.143 0.000 2.182 421 Q HA 0.420 4.766 4.340 0.010 0.000 0.305 421 Q C 0.685 176.798 176.000 0.189 0.000 0.880 421 Q CA 0.326 56.229 55.803 0.167 0.000 1.131 421 Q CB 0.745 29.623 28.738 0.234 0.000 1.237 421 Q HN 0.694 nan 8.270 nan 0.000 0.447 422 G N -0.064 108.817 108.800 0.135 0.000 2.232 422 G HA2 -0.270 3.696 3.960 0.010 0.000 0.226 422 G HA3 -0.270 3.696 3.960 0.010 0.000 0.226 422 G C 0.376 175.346 174.900 0.117 0.000 0.996 422 G CA -0.264 44.902 45.100 0.111 0.000 0.626 422 G HN 0.572 nan 8.290 nan 0.000 0.509 423 A N 0.554 123.461 122.820 0.144 0.000 2.407 423 A HA 0.654 4.979 4.320 0.010 0.000 0.248 423 A C 0.708 178.327 177.584 0.059 0.000 1.082 423 A CA 0.399 52.502 52.037 0.109 0.000 0.785 423 A CB 0.279 19.320 19.000 0.068 0.000 1.020 423 A HN 0.591 nan 8.150 nan 0.000 0.489 424 R N 1.845 122.378 120.500 0.055 0.000 2.234 424 R HA 0.470 4.816 4.340 0.010 0.000 0.324 424 R C -1.422 174.872 176.300 -0.011 0.000 1.054 424 R CA -0.121 55.977 56.100 -0.004 0.000 0.912 424 R CB 0.424 30.742 30.300 0.029 0.000 1.030 424 R HN 0.496 nan 8.270 nan 0.000 0.455 425 V N 5.895 125.742 119.914 -0.111 0.000 2.487 425 V HA 0.370 4.495 4.120 0.010 0.000 0.298 425 V C -1.047 174.918 176.094 -0.216 0.000 1.028 425 V CA -0.813 61.442 62.300 -0.074 0.000 0.860 425 V CB 1.493 33.323 31.823 0.011 0.000 0.991 425 V HN 0.645 nan 8.190 nan 0.000 0.427 426 Y N 2.232 122.491 120.300 -0.069 0.000 2.409 426 Y HA 0.799 5.354 4.550 0.008 0.000 0.339 426 Y C 0.353 176.328 175.900 0.125 0.000 1.033 426 Y CA -0.546 57.507 58.100 -0.078 0.000 1.094 426 Y CB 2.234 40.312 38.460 -0.637 0.000 1.210 426 Y HN 0.757 nan 8.280 nan 0.000 0.456 427 A N 3.142 126.356 122.820 0.655 0.000 2.414 427 A HA 0.805 5.131 4.320 0.010 0.000 0.306 427 A C -1.916 176.061 177.584 0.655 0.000 1.054 427 A CA -0.693 51.614 52.037 0.451 0.000 0.724 427 A CB 0.859 19.960 19.000 0.168 0.000 1.267 427 A HN 0.742 nan 8.150 nan 0.000 0.418 428 Y N -0.064 120.487 120.300 0.419 0.000 2.581 428 Y HA 0.812 5.367 4.550 0.008 0.000 0.345 428 Y C -1.061 175.033 175.900 0.323 0.000 1.036 428 Y CA -1.624 56.672 58.100 0.326 0.000 1.042 428 Y CB 1.410 40.052 38.460 0.302 0.000 1.289 428 Y HN 0.693 nan 8.280 nan 0.000 0.471 429 I N 3.453 124.329 120.570 0.510 0.000 2.436 429 I HA 0.462 4.638 4.170 0.010 0.000 0.289 429 I C -1.837 174.610 176.117 0.551 0.000 1.010 429 I CA -1.038 60.528 61.300 0.443 0.000 1.098 429 I CB 1.095 39.306 38.000 0.352 0.000 1.266 429 I HN 0.750 nan 8.210 nan 0.000 0.434 430 F N 7.337 127.569 119.950 0.471 0.000 2.405 430 F HA 0.406 4.940 4.527 0.010 0.000 0.355 430 F C 0.530 176.484 175.800 0.256 0.000 1.121 430 F CA 0.020 58.246 58.000 0.378 0.000 1.112 430 F CB 0.931 40.181 39.000 0.416 0.000 1.126 430 F HN 0.541 nan 8.300 nan 0.000 0.481 431 E N 3.259 123.363 120.200 -0.161 0.000 2.660 431 E HA -0.015 4.341 4.350 0.010 0.000 0.216 431 E C -0.843 175.668 176.600 -0.148 0.000 0.986 431 E CA -0.161 56.208 56.400 -0.053 0.000 1.037 431 E CB 0.308 29.994 29.700 -0.023 0.000 1.041 431 E HN 0.531 nan 8.360 nan 0.000 0.480 432 H N 1.260 120.027 119.070 -0.504 0.000 2.488 432 H HA 0.266 4.827 4.556 0.009 0.000 0.322 432 H C -0.486 174.821 175.328 -0.035 0.000 1.078 432 H CA -0.510 55.302 56.048 -0.394 0.000 1.260 432 H CB 0.614 29.912 29.762 -0.773 0.000 1.425 432 H HN -0.166 nan 8.280 nan 0.000 0.471 433 R N 3.987 124.140 120.500 -0.578 0.000 2.267 433 R HA 0.434 4.780 4.340 0.010 0.000 0.319 433 R C -0.477 175.520 176.300 -0.505 0.000 1.067 433 R CA -0.491 55.405 56.100 -0.340 0.000 0.936 433 R CB 0.273 30.471 30.300 -0.169 0.000 1.006 433 R HN 0.842 nan 8.270 nan 0.000 0.452 434 A N 3.049 125.883 122.820 0.023 0.000 2.567 434 A HA -0.031 4.295 4.320 0.010 0.000 0.240 434 A C 1.374 179.023 177.584 0.108 0.000 1.053 434 A CA 0.617 52.859 52.037 0.342 0.000 0.755 434 A CB 0.263 19.559 19.000 0.494 0.000 0.978 434 A HN 1.003 nan 8.150 nan 0.000 0.507 435 S N 1.603 117.398 115.700 0.157 0.000 2.469 435 S HA -0.155 4.321 4.470 0.010 0.000 0.238 435 S C 1.313 175.874 174.600 -0.065 0.000 0.998 435 S CA 1.643 59.868 58.200 0.042 0.000 0.957 435 S CB -0.725 62.525 63.200 0.083 0.000 0.764 435 S HN 1.338 nan 8.310 nan 0.000 0.514 436 T N -1.228 113.241 114.554 -0.140 0.000 3.122 436 T HA 0.381 4.737 4.350 0.010 0.000 0.250 436 T C 0.326 174.927 174.700 -0.166 0.000 1.067 436 T CA -0.609 61.347 62.100 -0.239 0.000 0.966 436 T CB -0.341 68.226 68.868 -0.502 0.000 1.002 436 T HN 0.210 nan 8.240 nan 0.000 0.542 437 L N 3.804 124.969 121.223 -0.096 0.000 2.461 437 L HA 0.357 4.702 4.340 0.010 0.000 0.272 437 L C 1.460 178.253 176.870 -0.128 0.000 1.197 437 L CA 0.870 55.646 54.840 -0.106 0.000 0.836 437 L CB 1.107 43.113 42.059 -0.088 0.000 1.105 437 L HN 0.469 nan 8.230 nan 0.000 0.477 438 T N -1.527 112.913 114.554 -0.190 0.000 2.975 438 T HA 0.140 4.496 4.350 0.010 0.000 0.257 438 T C 0.319 174.984 174.700 -0.059 0.000 1.003 438 T CA -0.488 61.502 62.100 -0.183 0.000 0.932 438 T CB -0.343 68.296 68.868 -0.380 0.000 1.087 438 T HN 0.356 nan 8.240 nan 0.000 0.512 439 W N 3.788 125.083 121.300 -0.007 0.000 2.137 439 W HA 0.382 5.048 4.660 0.010 0.000 0.344 439 W C -1.924 174.490 176.519 -0.176 0.000 1.286 439 W CA -1.855 55.463 57.345 -0.044 0.000 1.240 439 W CB 0.161 29.508 29.460 -0.189 0.000 1.141 439 W HN 0.014 nan 8.180 nan 0.000 0.579 440 P HA -0.057 nan 4.420 nan 0.000 0.272 440 P C 0.484 177.689 177.300 -0.159 0.000 1.240 440 P CA -0.220 62.813 63.100 -0.111 0.000 0.791 440 P CB 0.911 32.515 31.700 -0.161 0.000 0.978 441 L N 1.250 122.450 121.223 -0.038 0.000 2.191 441 L HA -0.095 4.250 4.340 0.010 0.000 0.212 441 L C 2.302 179.203 176.870 0.052 0.000 1.103 441 L CA 1.448 56.294 54.840 0.010 0.000 0.769 441 L CB -1.372 40.723 42.059 0.060 0.000 0.908 441 L HN 0.581 nan 8.230 nan 0.000 0.438 442 W N -2.041 119.299 121.300 0.068 0.000 2.425 442 W HA -0.154 4.511 4.660 0.008 0.000 0.277 442 W C 1.621 178.190 176.519 0.083 0.000 1.231 442 W CA 0.460 57.848 57.345 0.072 0.000 1.248 442 W CB -0.989 28.517 29.460 0.077 0.000 1.117 442 W HN 0.166 nan 8.180 nan 0.000 0.568 443 M N 1.469 120.812 119.600 -0.428 0.000 2.659 443 M HA 0.125 4.611 4.480 0.010 0.000 0.243 443 M C 1.761 177.996 176.300 -0.108 0.000 1.111 443 M CA 1.392 56.434 55.300 -0.429 0.000 1.070 443 M CB -0.591 31.576 32.600 -0.721 0.000 1.525 443 M HN 0.212 nan 8.290 nan 0.000 0.517 444 G N 0.570 109.355 108.800 -0.024 0.000 2.591 444 G HA2 -0.294 3.672 3.960 0.010 0.000 0.298 444 G HA3 -0.294 3.672 3.960 0.010 0.000 0.298 444 G C -0.128 174.787 174.900 0.026 0.000 1.195 444 G CA -0.114 45.007 45.100 0.034 0.000 0.989 444 G HN 0.230 nan 8.290 nan 0.000 0.551 445 V N 3.767 123.736 119.914 0.092 0.000 2.259 445 V HA 0.455 4.581 4.120 0.010 0.000 0.267 445 V C -1.738 174.475 176.094 0.198 0.000 1.051 445 V CA -0.766 61.632 62.300 0.164 0.000 0.830 445 V CB 1.103 33.078 31.823 0.254 0.000 1.080 445 V HN 0.527 nan 8.190 nan 0.000 0.467 446 P HA 0.156 nan 4.420 nan 0.000 0.275 446 P C -0.258 177.254 177.300 0.352 0.000 1.266 446 P CA -0.488 62.709 63.100 0.161 0.000 0.793 446 P CB 0.397 32.046 31.700 -0.085 0.000 1.074 447 H N -0.032 119.141 119.070 0.170 0.000 3.107 447 H HA 0.298 4.859 4.556 0.009 0.000 0.301 447 H C 1.496 176.840 175.328 0.028 0.000 0.981 447 H CA 2.229 58.365 56.048 0.147 0.000 1.443 447 H CB -0.752 29.137 29.762 0.212 0.000 1.479 447 H HN 0.714 nan 8.280 nan 0.000 0.564 448 G N 3.560 112.204 108.800 -0.260 0.000 2.213 448 G HA2 -0.293 3.673 3.960 0.010 0.000 0.226 448 G HA3 -0.293 3.673 3.960 0.010 0.000 0.226 448 G C 0.501 175.276 174.900 -0.208 0.000 0.992 448 G CA 0.275 45.154 45.100 -0.369 0.000 0.632 448 G HN 0.626 nan 8.290 nan 0.000 0.511 449 Y N 1.638 122.046 120.300 0.179 0.000 2.532 449 Y HA 0.285 4.840 4.550 0.009 0.000 0.283 449 Y C 2.199 178.218 175.900 0.198 0.000 1.181 449 Y CA 0.754 59.009 58.100 0.259 0.000 1.256 449 Y CB 0.480 39.115 38.460 0.292 0.000 1.112 449 Y HN 0.471 nan 8.280 nan 0.000 0.521 450 E N 0.012 120.181 120.200 -0.051 0.000 2.415 450 E HA -0.031 4.325 4.350 0.010 0.000 0.197 450 E C 1.514 178.024 176.600 -0.150 0.000 1.007 450 E CA 0.532 56.582 56.400 -0.583 0.000 0.890 450 E CB -0.304 28.610 29.700 -1.310 0.000 0.891 450 E HN 0.528 nan 8.360 nan 0.000 0.496 451 I N 2.106 122.679 120.570 0.004 0.000 2.076 451 I HA -0.299 3.877 4.170 0.010 0.000 0.237 451 I C 2.754 178.895 176.117 0.040 0.000 1.059 451 I CA 1.938 63.279 61.300 0.068 0.000 1.317 451 I CB -0.594 37.508 38.000 0.170 0.000 1.037 451 I HN 0.172 nan 8.210 nan 0.000 0.398 452 E N 0.882 121.055 120.200 -0.045 0.000 2.301 452 E HA -0.324 4.032 4.350 0.010 0.000 0.224 452 E C 1.998 178.386 176.600 -0.353 0.000 1.092 452 E CA 2.377 58.657 56.400 -0.200 0.000 0.913 452 E CB -0.267 29.362 29.700 -0.118 0.000 0.776 452 E HN 0.482 nan 8.360 nan 0.000 0.465 453 F N -0.250 119.616 119.950 -0.140 0.000 2.219 453 F HA -0.017 4.517 4.527 0.012 0.000 0.294 453 F C 2.240 177.826 175.800 -0.358 0.000 1.086 453 F CA 0.275 58.142 58.000 -0.223 0.000 1.330 453 F CB -0.104 38.862 39.000 -0.058 0.000 1.047 453 F HN 0.076 nan 8.300 nan 0.000 0.495 454 I N -0.595 119.827 120.570 -0.246 0.000 2.264 454 I HA -0.287 3.888 4.170 0.010 0.000 0.248 454 I C 1.994 177.864 176.117 -0.411 0.000 1.111 454 I CA 1.666 62.646 61.300 -0.534 0.000 1.382 454 I CB -1.494 36.094 38.000 -0.687 0.000 1.060 454 I HN 0.089 nan 8.210 nan 0.000 0.418 455 F N 0.966 120.731 119.950 -0.309 0.000 2.811 455 F HA 0.219 4.752 4.527 0.010 0.000 0.301 455 F C 1.896 177.541 175.800 -0.259 0.000 1.151 455 F CA 0.758 58.614 58.000 -0.241 0.000 1.412 455 F CB -0.325 38.523 39.000 -0.254 0.000 1.113 455 F HN 0.294 nan 8.300 nan 0.000 0.579 456 G N 0.159 108.794 108.800 -0.276 0.000 2.160 456 G HA2 -0.327 3.639 3.960 0.010 0.000 0.251 456 G HA3 -0.327 3.639 3.960 0.010 0.000 0.251 456 G C 1.048 175.348 174.900 -1.001 0.000 1.008 456 G CA 0.397 45.206 45.100 -0.485 0.000 0.724 456 G HN 0.324 nan 8.290 nan 0.000 0.514 457 L N 0.422 121.098 121.223 -0.912 0.000 2.081 457 L HA -0.010 4.336 4.340 0.010 0.000 0.212 457 L C 0.467 176.746 176.870 -0.986 0.000 1.080 457 L CA 2.812 57.042 54.840 -1.016 0.000 0.754 457 L CB -0.961 40.752 42.059 -0.576 0.000 0.893 457 L HN 0.219 nan 8.230 nan 0.000 0.433 458 P HA -0.144 nan 4.420 nan 0.000 0.223 458 P C 1.572 178.588 177.300 -0.473 0.000 1.144 458 P CA 0.820 63.278 63.100 -1.070 0.000 0.783 458 P CB 0.065 31.172 31.700 -0.989 0.000 0.771 459 L N -1.085 119.834 121.223 -0.507 0.000 2.291 459 L HA -0.029 4.317 4.340 0.010 0.000 0.214 459 L C 0.927 177.719 176.870 -0.130 0.000 1.120 459 L CA 1.178 55.856 54.840 -0.271 0.000 0.799 459 L CB -1.248 40.674 42.059 -0.229 0.000 0.925 459 L HN -0.040 nan 8.230 nan 0.000 0.446 460 D N 0.177 120.472 120.400 -0.174 0.000 2.344 460 D HA 0.052 4.698 4.640 0.010 0.000 0.253 460 D C -1.571 174.743 176.300 0.024 0.000 1.255 460 D CA -1.809 52.208 54.000 0.027 0.000 0.894 460 D CB 1.437 42.288 40.800 0.085 0.000 1.067 460 D HN 0.031 nan 8.370 nan 0.000 0.492 461 P HA -0.132 nan 4.420 nan 0.000 0.220 461 P C 1.292 178.610 177.300 0.030 0.000 1.148 461 P CA 0.782 63.901 63.100 0.031 0.000 0.803 461 P CB 0.014 31.728 31.700 0.024 0.000 0.782 462 S N -0.845 114.871 115.700 0.027 0.000 2.500 462 S HA -0.075 4.401 4.470 0.010 0.000 0.239 462 S C 1.612 176.213 174.600 0.003 0.000 0.989 462 S CA 0.781 58.988 58.200 0.011 0.000 0.951 462 S CB -1.438 61.768 63.200 0.009 0.000 0.759 462 S HN 0.133 nan 8.310 nan 0.000 0.523 463 L N 0.398 121.641 121.223 0.033 0.000 2.592 463 L HA 0.248 4.593 4.340 0.010 0.000 0.227 463 L C 0.378 177.216 176.870 -0.053 0.000 1.127 463 L CA -0.067 54.788 54.840 0.025 0.000 0.884 463 L CB -0.578 41.569 42.059 0.147 0.000 1.065 463 L HN 0.211 nan 8.230 nan 0.000 0.457 464 N N -1.936 116.759 118.700 -0.008 0.000 2.850 464 N HA -0.223 4.523 4.740 0.010 0.000 0.249 464 N C -0.308 175.150 175.510 -0.085 0.000 1.060 464 N CA 0.830 53.843 53.050 -0.062 0.000 0.825 464 N CB -1.746 36.672 38.487 -0.115 0.000 1.132 464 N HN 0.290 nan 8.380 nan 0.000 0.564 465 Y N 1.119 121.399 120.300 -0.034 0.000 2.426 465 Y HA 0.150 4.706 4.550 0.009 0.000 0.344 465 Y C 2.006 177.921 175.900 0.024 0.000 1.256 465 Y CA 0.452 58.555 58.100 0.004 0.000 1.451 465 Y CB 0.393 38.838 38.460 -0.025 0.000 1.342 465 Y HN 0.084 nan 8.280 nan 0.000 0.600 466 T N -2.716 111.975 114.554 0.230 0.000 2.828 466 T HA 0.058 4.414 4.350 0.010 0.000 0.290 466 T C 1.138 175.911 174.700 0.122 0.000 1.019 466 T CA -0.333 61.852 62.100 0.140 0.000 1.031 466 T CB 0.945 69.889 68.868 0.127 0.000 1.001 466 T HN 0.721 nan 8.240 nan 0.000 0.531 467 T N 1.265 115.863 114.554 0.075 0.000 2.720 467 T HA -0.126 4.230 4.350 0.010 0.000 0.268 467 T C 1.982 176.717 174.700 0.057 0.000 1.037 467 T CA 1.755 63.888 62.100 0.054 0.000 1.144 467 T CB -0.347 68.542 68.868 0.034 0.000 0.864 467 T HN 0.846 nan 8.240 nan 0.000 0.444 468 E N 1.733 121.964 120.200 0.053 0.000 2.110 468 E HA -0.178 4.178 4.350 0.010 0.000 0.193 468 E C 1.890 178.537 176.600 0.079 0.000 0.988 468 E CA 1.099 57.519 56.400 0.033 0.000 0.804 468 E CB -0.474 29.216 29.700 -0.015 0.000 0.745 468 E HN 0.580 nan 8.360 nan 0.000 0.458 469 E N 0.688 120.975 120.200 0.144 0.000 2.153 469 E HA -0.121 4.235 4.350 0.010 0.000 0.194 469 E C 2.267 179.007 176.600 0.233 0.000 0.988 469 E CA 0.556 57.143 56.400 0.311 0.000 0.811 469 E CB -0.040 29.949 29.700 0.482 0.000 0.746 469 E HN 0.158 nan 8.360 nan 0.000 0.466 470 R N 0.538 121.099 120.500 0.103 0.000 2.066 470 R HA -0.101 4.245 4.340 0.010 0.000 0.232 470 R C 2.269 178.578 176.300 0.015 0.000 1.131 470 R CA 1.084 57.187 56.100 0.006 0.000 0.955 470 R CB -0.162 30.139 30.300 0.001 0.000 0.851 470 R HN 0.139 nan 8.270 nan 0.000 0.432 471 I N 0.242 120.842 120.570 0.050 0.000 2.286 471 I HA -0.272 3.903 4.170 0.010 0.000 0.248 471 I C 2.133 178.296 176.117 0.076 0.000 1.115 471 I CA 0.956 62.281 61.300 0.041 0.000 1.392 471 I CB -0.275 37.749 38.000 0.042 0.000 1.065 471 I HN 0.165 nan 8.210 nan 0.000 0.418 472 F N 1.750 121.675 119.950 -0.041 0.000 2.146 472 F HA -0.134 4.398 4.527 0.008 0.000 0.298 472 F C 2.427 178.232 175.800 0.007 0.000 1.096 472 F CA 1.185 59.156 58.000 -0.048 0.000 1.275 472 F CB -0.581 38.349 39.000 -0.117 0.000 1.008 472 F HN 0.003 nan 8.300 nan 0.000 0.480 473 A N 0.195 122.962 122.820 -0.089 0.000 1.902 473 A HA -0.227 4.099 4.320 0.010 0.000 0.217 473 A C 2.182 179.630 177.584 -0.228 0.000 1.181 473 A CA 1.786 53.703 52.037 -0.200 0.000 0.623 473 A CB -0.916 17.978 19.000 -0.176 0.000 0.818 473 A HN 0.598 nan 8.150 nan 0.000 0.443 474 Q N -1.011 118.697 119.800 -0.154 0.000 2.061 474 Q HA -0.220 4.126 4.340 0.010 0.000 0.204 474 Q C 2.419 178.310 176.000 -0.181 0.000 0.984 474 Q CA 1.735 57.456 55.803 -0.137 0.000 0.846 474 Q CB -0.206 28.481 28.738 -0.084 0.000 0.902 474 Q HN 0.652 nan 8.270 nan 0.000 0.421 475 R N 0.385 120.762 120.500 -0.204 0.000 2.083 475 R HA -0.139 4.207 4.340 0.010 0.000 0.237 475 R C 2.281 178.300 176.300 -0.468 0.000 1.137 475 R CA 1.160 57.067 56.100 -0.323 0.000 0.951 475 R CB -0.162 30.019 30.300 -0.199 0.000 0.851 475 R HN 0.229 nan 8.270 nan 0.000 0.434 476 L N -0.220 120.799 121.223 -0.340 0.000 2.027 476 L HA -0.169 4.177 4.340 0.010 0.000 0.206 476 L C 2.538 179.343 176.870 -0.109 0.000 1.074 476 L CA 1.282 56.014 54.840 -0.181 0.000 0.745 476 L CB -0.285 41.532 42.059 -0.404 0.000 0.898 476 L HN 0.264 nan 8.230 nan 0.000 0.433 477 M N -0.507 118.972 119.600 -0.201 0.000 2.202 477 M HA -0.257 4.229 4.480 0.010 0.000 0.262 477 M C 2.291 178.575 176.300 -0.027 0.000 1.063 477 M CA 1.713 56.927 55.300 -0.143 0.000 1.097 477 M CB -0.282 32.226 32.600 -0.153 0.000 1.382 477 M HN 0.101 nan 8.290 nan 0.000 0.413 478 K N -0.462 119.891 120.400 -0.078 0.000 2.062 478 K HA -0.133 4.193 4.320 0.010 0.000 0.205 478 K C 1.751 178.388 176.600 0.063 0.000 1.051 478 K CA 1.276 57.526 56.287 -0.061 0.000 0.941 478 K CB 0.015 32.415 32.500 -0.166 0.000 0.719 478 K HN 0.163 nan 8.250 nan 0.000 0.440 479 Y N -0.220 120.198 120.300 0.197 0.000 2.097 479 Y HA -0.256 4.302 4.550 0.012 0.000 0.282 479 Y C 2.217 178.254 175.900 0.229 0.000 1.152 479 Y CA 1.089 59.342 58.100 0.255 0.000 1.136 479 Y CB -0.808 37.940 38.460 0.479 0.000 0.975 479 Y HN 0.227 nan 8.280 nan 0.000 0.498 480 W N 0.620 121.988 121.300 0.114 0.000 2.335 480 W HA -0.238 4.427 4.660 0.008 0.000 0.311 480 W C 2.420 178.928 176.519 -0.017 0.000 1.213 480 W CA 2.209 59.553 57.345 -0.002 0.000 1.274 480 W CB -0.587 28.791 29.460 -0.136 0.000 1.148 480 W HN 0.238 nan 8.180 nan 0.000 0.498 481 T N -2.592 112.064 114.554 0.171 0.000 2.985 481 T HA -0.093 4.263 4.350 0.010 0.000 0.266 481 T C 1.364 176.088 174.700 0.040 0.000 1.076 481 T CA 0.962 63.096 62.100 0.056 0.000 1.135 481 T CB -0.490 68.388 68.868 0.017 0.000 0.890 481 T HN -0.078 nan 8.240 nan 0.000 0.480 482 N N 1.030 119.772 118.700 0.070 0.000 2.120 482 N HA 0.007 4.753 4.740 0.010 0.000 0.188 482 N C 1.324 176.825 175.510 -0.014 0.000 1.024 482 N CA 0.939 54.008 53.050 0.033 0.000 0.852 482 N CB -0.673 37.853 38.487 0.065 0.000 1.003 482 N HN 0.459 nan 8.380 nan 0.000 0.424 483 F N 1.732 121.597 119.950 -0.142 0.000 2.102 483 F HA -0.098 4.435 4.527 0.010 0.000 0.298 483 F C 2.187 177.907 175.800 -0.135 0.000 1.105 483 F CA 1.418 59.287 58.000 -0.220 0.000 1.239 483 F CB -0.556 38.227 39.000 -0.363 0.000 0.991 483 F HN 0.039 nan 8.300 nan 0.000 0.474 484 A N 0.487 123.230 122.820 -0.128 0.000 1.908 484 A HA -0.248 4.078 4.320 0.010 0.000 0.218 484 A C 2.431 179.903 177.584 -0.186 0.000 1.181 484 A CA 1.953 53.896 52.037 -0.158 0.000 0.627 484 A CB -0.894 18.080 19.000 -0.044 0.000 0.818 484 A HN 0.491 nan 8.150 nan 0.000 0.445 485 R N -1.103 119.316 120.500 -0.135 0.000 2.073 485 R HA -0.092 4.254 4.340 0.010 0.000 0.229 485 R C 1.884 178.102 176.300 -0.137 0.000 1.120 485 R CA 1.979 58.017 56.100 -0.103 0.000 0.967 485 R CB -0.064 30.202 30.300 -0.056 0.000 0.862 485 R HN 0.674 nan 8.270 nan 0.000 0.436 486 T N -5.820 108.624 114.554 -0.182 0.000 3.009 486 T HA 0.226 4.582 4.350 0.010 0.000 0.267 486 T C 0.944 175.520 174.700 -0.206 0.000 0.942 486 T CA 0.480 62.489 62.100 -0.152 0.000 0.883 486 T CB 1.152 69.967 68.868 -0.089 0.000 1.192 486 T HN 0.317 nan 8.240 nan 0.000 0.524 487 G N 1.296 109.853 108.800 -0.406 0.000 2.143 487 G HA2 -0.142 3.824 3.960 0.010 0.000 0.248 487 G HA3 -0.142 3.824 3.960 0.010 0.000 0.248 487 G C -0.393 174.414 174.900 -0.156 0.000 0.991 487 G CA 0.211 45.009 45.100 -0.503 0.000 0.689 487 G HN 0.828 nan 8.290 nan 0.000 0.522 488 D N -0.848 119.459 120.400 -0.154 0.000 2.763 488 D HA 0.421 5.066 4.640 0.010 0.000 0.235 488 D C -1.613 174.534 176.300 -0.255 0.000 1.334 488 D CA -1.419 52.464 54.000 -0.195 0.000 0.950 488 D CB 1.984 42.757 40.800 -0.045 0.000 1.433 488 D HN -0.015 nan 8.370 nan 0.000 0.580 489 P HA -0.007 nan 4.420 nan 0.000 0.236 489 P C 0.111 177.427 177.300 0.025 0.000 1.177 489 P CA 0.055 62.986 63.100 -0.282 0.000 0.773 489 P CB 0.387 31.631 31.700 -0.761 0.000 0.878 490 N N 1.496 120.175 118.700 -0.036 0.000 2.479 490 N HA -0.001 4.745 4.740 0.010 0.000 0.257 490 N C 0.065 175.647 175.510 0.119 0.000 1.232 490 N CA 0.496 53.625 53.050 0.131 0.000 0.920 490 N CB 0.616 39.171 38.487 0.114 0.000 1.105 490 N HN 0.094 nan 8.380 nan 0.000 0.444 491 D N 1.552 122.040 120.400 0.147 0.000 2.317 491 D HA 0.124 4.770 4.640 0.010 0.000 0.252 491 D C -1.473 174.871 176.300 0.074 0.000 1.174 491 D CA -1.593 52.463 54.000 0.092 0.000 0.866 491 D CB 1.536 42.386 40.800 0.083 0.000 1.127 491 D HN 0.262 nan 8.370 nan 0.000 0.467 492 P HA -0.118 nan 4.420 nan 0.000 0.215 492 P C 1.444 178.770 177.300 0.043 0.000 1.157 492 P CA 1.300 64.427 63.100 0.045 0.000 0.863 492 P CB 0.216 31.934 31.700 0.030 0.000 0.787 493 R N 0.431 120.953 120.500 0.037 0.000 2.096 493 R HA -0.102 4.244 4.340 0.010 0.000 0.235 493 R C 1.287 177.610 176.300 0.039 0.000 1.127 493 R CA 1.735 57.855 56.100 0.033 0.000 0.968 493 R CB -2.092 28.224 30.300 0.027 0.000 0.861 493 R HN 0.189 nan 8.270 nan 0.000 0.440 494 D N -0.063 120.366 120.400 0.048 0.000 2.508 494 D HA 0.375 5.020 4.640 0.010 0.000 0.224 494 D C 1.386 177.724 176.300 0.063 0.000 1.171 494 D CA 0.646 54.679 54.000 0.054 0.000 1.006 494 D CB 0.478 41.315 40.800 0.061 0.000 1.073 494 D HN 0.452 nan 8.370 nan 0.000 0.513 495 S N 2.917 118.648 115.700 0.052 0.000 2.356 495 S HA -0.202 4.274 4.470 0.010 0.000 0.223 495 S C 2.073 176.708 174.600 0.057 0.000 1.032 495 S CA 2.001 60.233 58.200 0.053 0.000 1.005 495 S CB -0.393 62.833 63.200 0.042 0.000 0.867 495 S HN 0.470 nan 8.310 nan 0.000 0.449 496 K N 1.026 121.456 120.400 0.051 0.000 2.001 496 K HA 0.234 4.560 4.320 0.010 0.000 0.208 496 K C 1.449 178.084 176.600 0.059 0.000 1.048 496 K CA 1.039 57.355 56.287 0.048 0.000 0.932 496 K CB -1.399 31.124 32.500 0.039 0.000 0.715 496 K HN 0.423 nan 8.250 nan 0.000 0.437 497 S N 2.146 117.888 115.700 0.070 0.000 2.599 497 S HA 0.149 4.625 4.470 0.010 0.000 0.303 497 S C -2.226 172.436 174.600 0.103 0.000 1.267 497 S CA -0.629 57.626 58.200 0.092 0.000 1.055 497 S CB 0.515 63.785 63.200 0.117 0.000 0.790 497 S HN 0.438 nan 8.310 nan 0.000 0.500 498 P HA 0.136 nan 4.420 nan 0.000 0.269 498 P C -0.363 177.019 177.300 0.137 0.000 1.209 498 P CA -0.321 62.836 63.100 0.095 0.000 0.776 498 P CB 0.436 32.176 31.700 0.067 0.000 0.876 499 Q N 0.717 120.599 119.800 0.136 0.000 2.260 499 Q HA 0.194 4.540 4.340 0.010 0.000 0.242 499 Q C -0.797 175.351 176.000 0.246 0.000 0.932 499 Q CA 0.018 55.935 55.803 0.190 0.000 0.891 499 Q CB 1.047 29.884 28.738 0.165 0.000 1.222 499 Q HN 0.560 nan 8.270 nan 0.000 0.453 500 W N 5.839 127.189 121.300 0.084 0.000 2.282 500 W HA 0.349 5.014 4.660 0.008 0.000 0.322 500 W C -2.512 174.149 176.519 0.237 0.000 1.011 500 W CA -2.624 54.783 57.345 0.103 0.000 1.392 500 W CB 0.599 30.054 29.460 -0.008 0.000 1.215 500 W HN 0.368 nan 8.180 nan 0.000 0.394 501 P HA 0.294 nan 4.420 nan 0.000 0.281 501 P C -2.583 174.911 177.300 0.324 0.000 1.249 501 P CA -1.654 61.661 63.100 0.359 0.000 0.810 501 P CB 0.848 32.675 31.700 0.211 0.000 1.008 502 P HA 0.022 nan 4.420 nan 0.000 0.268 502 P C -0.655 176.640 177.300 -0.008 0.000 1.208 502 P CA 0.194 63.099 63.100 -0.325 0.000 0.777 502 P CB 0.033 31.516 31.700 -0.361 0.000 0.875 503 Y N 2.513 122.759 120.300 -0.089 0.000 2.480 503 Y HA 0.295 4.854 4.550 0.016 0.000 0.341 503 Y C 0.446 176.338 175.900 -0.015 0.000 1.031 503 Y CA 0.310 58.423 58.100 0.021 0.000 1.295 503 Y CB 0.004 38.499 38.460 0.057 0.000 1.162 503 Y HN 0.347 nan 8.280 nan 0.000 0.523 504 T N 0.267 114.578 114.554 -0.406 0.000 2.942 504 T HA 0.257 4.613 4.350 0.010 0.000 0.289 504 T C 1.109 175.544 174.700 -0.442 0.000 1.044 504 T CA -0.144 61.786 62.100 -0.283 0.000 1.023 504 T CB 1.385 70.164 68.868 -0.147 0.000 1.123 504 T HN 0.646 nan 8.240 nan 0.000 0.512 505 T N -0.885 113.562 114.554 -0.179 0.000 2.821 505 T HA 0.003 4.359 4.350 0.010 0.000 0.267 505 T C 2.296 176.931 174.700 -0.108 0.000 1.046 505 T CA 0.879 62.911 62.100 -0.112 0.000 1.139 505 T CB -0.876 67.989 68.868 -0.004 0.000 0.871 505 T HN 0.829 nan 8.240 nan 0.000 0.454 506 A N 1.515 124.280 122.820 -0.092 0.000 1.930 506 A HA 0.500 4.825 4.320 0.010 0.000 0.217 506 A C 2.547 180.089 177.584 -0.070 0.000 1.175 506 A CA 1.641 53.643 52.037 -0.059 0.000 0.627 506 A CB -0.891 18.085 19.000 -0.039 0.000 0.815 506 A HN 0.791 nan 8.150 nan 0.000 0.443 507 A N -2.517 120.232 122.820 -0.118 0.000 2.287 507 A HA 0.349 4.675 4.320 0.010 0.000 0.214 507 A C 0.778 178.287 177.584 -0.125 0.000 1.228 507 A CA 0.713 52.696 52.037 -0.090 0.000 0.939 507 A CB -0.037 18.928 19.000 -0.059 0.000 0.992 507 A HN 0.454 nan 8.150 nan 0.000 0.502 508 Q N 0.162 119.766 119.800 -0.328 0.000 2.434 508 Q HA -0.234 4.112 4.340 0.010 0.000 0.299 508 Q C -0.681 175.323 176.000 0.008 0.000 1.286 508 Q CA 0.748 56.291 55.803 -0.434 0.000 0.872 508 Q CB -1.826 26.862 28.738 -0.083 0.000 1.193 508 Q HN 0.831 nan 8.270 nan 0.000 0.466 509 Q N 0.325 120.135 119.800 0.016 0.000 2.293 509 Q HA 0.508 4.854 4.340 0.010 0.000 0.251 509 Q C -0.364 175.928 176.000 0.487 0.000 0.930 509 Q CA -0.042 55.884 55.803 0.205 0.000 0.893 509 Q CB 0.619 29.423 28.738 0.111 0.000 1.215 509 Q HN 0.359 nan 8.270 nan 0.000 0.425 510 Y N -1.743 118.693 120.300 0.227 0.000 2.705 510 Y HA 0.722 5.282 4.550 0.017 0.000 0.332 510 Y C -1.256 174.667 175.900 0.039 0.000 1.221 510 Y CA -1.544 56.693 58.100 0.228 0.000 1.059 510 Y CB 0.472 39.067 38.460 0.225 0.000 1.298 510 Y HN 0.346 nan 8.280 nan 0.000 0.459 511 V N -0.508 119.333 119.914 -0.123 0.000 2.864 511 V HA 0.820 4.946 4.120 0.010 0.000 0.314 511 V C -0.247 175.743 176.094 -0.172 0.000 1.073 511 V CA -0.621 61.447 62.300 -0.386 0.000 0.956 511 V CB 1.301 32.606 31.823 -0.864 0.000 1.023 511 V HN 1.202 nan 8.190 nan 0.000 0.435 512 S N 3.913 119.509 115.700 -0.174 0.000 2.474 512 S HA 0.636 5.112 4.470 0.010 0.000 0.276 512 S C -0.379 174.183 174.600 -0.064 0.000 1.227 512 S CA -0.606 57.565 58.200 -0.049 0.000 1.050 512 S CB 0.254 63.418 63.200 -0.060 0.000 0.939 512 S HN 0.736 nan 8.310 nan 0.000 0.490 513 L N 4.515 125.750 121.223 0.021 0.000 2.259 513 L HA 0.474 4.820 4.340 0.010 0.000 0.288 513 L C -0.096 176.679 176.870 -0.157 0.000 1.051 513 L CA -0.427 54.442 54.840 0.049 0.000 0.824 513 L CB -0.344 41.840 42.059 0.208 0.000 1.206 513 L HN 0.900 nan 8.230 nan 0.000 0.429 514 N N 1.934 120.501 118.700 -0.222 0.000 3.344 514 N HA 0.346 5.092 4.740 0.010 0.000 0.296 514 N C 0.314 175.335 175.510 -0.815 0.000 1.571 514 N CA -0.999 51.670 53.050 -0.636 0.000 0.844 514 N CB 0.614 38.882 38.487 -0.364 0.000 1.718 514 N HN 0.163 nan 8.380 nan 0.000 0.589 515 L N -0.978 119.747 121.223 -0.829 0.000 2.265 515 L HA 0.019 4.364 4.340 0.010 0.000 0.215 515 L C 0.625 177.340 176.870 -0.259 0.000 1.117 515 L CA 1.067 55.549 54.840 -0.598 0.000 0.782 515 L CB -0.546 41.234 42.059 -0.464 0.000 0.914 515 L HN 0.394 nan 8.230 nan 0.000 0.441 516 K N 0.274 120.556 120.400 -0.197 0.000 2.126 516 K HA 0.279 4.605 4.320 0.010 0.000 0.257 516 K C -2.131 174.444 176.600 -0.041 0.000 1.007 516 K CA -1.930 54.300 56.287 -0.095 0.000 0.928 516 K CB 0.330 32.780 32.500 -0.083 0.000 1.013 516 K HN -0.208 nan 8.250 nan 0.000 0.473 517 P HA -0.033 nan 4.420 nan 0.000 0.267 517 P C -0.341 176.967 177.300 0.013 0.000 1.200 517 P CA -0.048 63.070 63.100 0.030 0.000 0.772 517 P CB 0.365 32.082 31.700 0.028 0.000 0.855 518 L N 1.747 122.992 121.223 0.037 0.000 2.678 518 L HA -0.113 4.233 4.340 0.010 0.000 0.285 518 L C 1.155 177.988 176.870 -0.061 0.000 1.233 518 L CA 0.898 55.717 54.840 -0.035 0.000 0.920 518 L CB -0.313 41.720 42.059 -0.043 0.000 1.176 518 L HN 0.522 nan 8.230 nan 0.000 0.495 519 E N 3.555 123.693 120.200 -0.104 0.000 2.187 519 E HA 0.400 4.756 4.350 0.010 0.000 0.268 519 E C -1.294 175.205 176.600 -0.168 0.000 0.896 519 E CA -0.833 55.504 56.400 -0.104 0.000 0.766 519 E CB 1.884 31.533 29.700 -0.084 0.000 1.142 519 E HN 0.304 nan 8.360 nan 0.000 0.408 520 V N 5.251 125.081 119.914 -0.140 0.000 2.461 520 V HA 0.364 4.490 4.120 0.010 0.000 0.275 520 V C 0.363 176.323 176.094 -0.224 0.000 1.047 520 V CA -0.214 61.981 62.300 -0.174 0.000 0.955 520 V CB 0.780 32.559 31.823 -0.074 0.000 0.988 520 V HN 0.694 nan 8.190 nan 0.000 0.471 521 R N 3.788 124.028 120.500 -0.434 0.000 2.873 521 R HA 0.760 5.106 4.340 0.010 0.000 0.264 521 R C -0.743 175.375 176.300 -0.304 0.000 1.026 521 R CA -1.075 54.755 56.100 -0.450 0.000 1.002 521 R CB 2.273 32.160 30.300 -0.689 0.000 1.174 521 R HN 0.553 nan 8.270 nan 0.000 0.488 522 R N -0.267 120.233 120.500 0.000 0.000 2.480 522 R HA 0.419 4.765 4.340 0.010 0.000 0.306 522 R C -0.936 175.563 176.300 0.332 0.000 0.958 522 R CA -0.109 56.094 56.100 0.172 0.000 0.861 522 R CB 2.213 32.562 30.300 0.081 0.000 1.171 522 R HN 0.898 nan 8.270 nan 0.000 0.445 523 G N 2.924 111.952 108.800 0.380 0.000 3.445 523 G HA2 -0.206 3.759 3.960 0.010 0.000 0.634 523 G HA3 -0.206 3.759 3.960 0.010 0.000 0.634 523 G C -0.662 174.388 174.900 0.250 0.000 0.909 523 G CA -0.731 44.541 45.100 0.286 0.000 0.740 523 G HN 0.513 nan 8.290 nan 0.000 0.441 524 L N 4.708 125.960 121.223 0.049 0.000 2.843 524 L HA 0.695 5.041 4.340 0.010 0.000 0.234 524 L C 0.681 177.535 176.870 -0.026 0.000 1.264 524 L CA -0.291 54.412 54.840 -0.227 0.000 1.052 524 L CB -0.181 41.544 42.059 -0.557 0.000 1.372 524 L HN 0.973 nan 8.230 nan 0.000 0.466 525 R N 1.158 121.701 120.500 0.071 0.000 2.261 525 R HA 0.059 4.405 4.340 0.010 0.000 0.201 525 R C -0.394 175.989 176.300 0.138 0.000 0.968 525 R CA 0.540 56.699 56.100 0.098 0.000 0.747 525 R CB -0.717 29.634 30.300 0.085 0.000 1.450 525 R HN 0.276 nan 8.270 nan 0.000 0.302 526 A N 1.567 124.470 122.820 0.138 0.000 1.898 526 A HA -0.169 4.157 4.320 0.010 0.000 0.216 526 A C 1.780 179.453 177.584 0.149 0.000 1.181 526 A CA 1.471 53.591 52.037 0.138 0.000 0.620 526 A CB -0.210 18.865 19.000 0.125 0.000 0.819 526 A HN 0.653 nan 8.150 nan 0.000 0.442 527 Q N -0.400 119.486 119.800 0.144 0.000 2.002 527 Q HA -0.124 4.222 4.340 0.010 0.000 0.204 527 Q C 2.195 178.317 176.000 0.204 0.000 0.988 527 Q CA 2.601 58.494 55.803 0.150 0.000 0.843 527 Q CB -0.963 27.848 28.738 0.122 0.000 0.908 527 Q HN 0.592 nan 8.270 nan 0.000 0.420 528 T N -0.708 113.993 114.554 0.245 0.000 2.788 528 T HA -0.150 4.206 4.350 0.010 0.000 0.268 528 T C 1.885 176.817 174.700 0.386 0.000 1.044 528 T CA 1.352 63.643 62.100 0.319 0.000 1.139 528 T CB -0.474 68.615 68.868 0.369 0.000 0.867 528 T HN 0.368 nan 8.240 nan 0.000 0.454 529 c N 1.499 120.300 118.600 0.335 0.000 2.446 529 c HA 0.253 4.829 4.570 0.010 0.000 0.279 529 c C 3.139 177.391 174.090 0.270 0.000 1.366 529 c CA -0.057 56.480 56.329 0.346 0.000 1.763 529 c CB -1.399 41.242 42.510 0.219 0.000 1.929 529 c HN 0.641 nan 8.230 nan 0.000 0.509 530 A N 0.264 123.208 122.820 0.207 0.000 1.940 530 A HA -0.212 4.114 4.320 0.010 0.000 0.219 530 A C 1.875 179.553 177.584 0.156 0.000 1.176 530 A CA 1.646 53.778 52.037 0.159 0.000 0.631 530 A CB -0.802 18.278 19.000 0.134 0.000 0.814 530 A HN 0.565 nan 8.150 nan 0.000 0.446 531 F N -0.904 119.032 119.950 -0.023 0.000 2.102 531 F HA -0.180 4.352 4.527 0.008 0.000 0.298 531 F C 1.903 177.640 175.800 -0.105 0.000 1.105 531 F CA 1.859 59.752 58.000 -0.178 0.000 1.239 531 F CB -0.416 38.190 39.000 -0.657 0.000 0.991 531 F HN 0.383 nan 8.300 nan 0.000 0.474 532 W N 0.383 121.689 121.300 0.009 0.000 2.453 532 W HA -0.048 4.616 4.660 0.007 0.000 0.289 532 W C 2.109 178.581 176.519 -0.077 0.000 1.215 532 W CA 0.793 58.100 57.345 -0.063 0.000 1.297 532 W CB -0.488 29.053 29.460 0.135 0.000 1.113 532 W HN -0.076 nan 8.180 nan 0.000 0.551 533 N N -0.368 118.455 118.700 0.206 0.000 2.405 533 N HA 0.059 4.805 4.740 0.010 0.000 0.175 533 N C 1.466 177.003 175.510 0.044 0.000 1.051 533 N CA 0.777 53.892 53.050 0.109 0.000 0.899 533 N CB -0.095 38.454 38.487 0.104 0.000 1.000 533 N HN 0.235 nan 8.380 nan 0.000 0.451 534 R N -1.216 119.308 120.500 0.040 0.000 2.167 534 R HA 0.233 4.579 4.340 0.010 0.000 0.195 534 R C 1.464 177.771 176.300 0.011 0.000 1.027 534 R CA 0.011 56.132 56.100 0.035 0.000 1.114 534 R CB -0.124 30.220 30.300 0.075 0.000 1.075 534 R HN 0.033 nan 8.270 nan 0.000 0.538 535 F N 1.156 121.004 119.950 -0.171 0.000 2.123 535 F HA 0.017 4.550 4.527 0.010 0.000 0.289 535 F C 1.860 177.473 175.800 -0.312 0.000 1.099 535 F CA 0.846 58.708 58.000 -0.229 0.000 1.234 535 F CB -0.361 38.493 39.000 -0.244 0.000 1.034 535 F HN -0.139 nan 8.300 nan 0.000 0.479 536 L N 1.161 122.006 121.223 -0.629 0.000 2.043 536 L HA -0.132 4.214 4.340 0.010 0.000 0.212 536 L C -0.848 175.759 176.870 -0.439 0.000 1.075 536 L CA 2.217 56.651 54.840 -0.678 0.000 0.752 536 L CB -1.734 39.960 42.059 -0.609 0.000 0.891 536 L HN 0.054 nan 8.230 nan 0.000 0.432 537 P HA -0.216 nan 4.420 nan 0.000 0.214 537 P C 1.374 178.533 177.300 -0.236 0.000 1.163 537 P CA 1.594 64.585 63.100 -0.182 0.000 0.883 537 P CB -0.077 31.557 31.700 -0.110 0.000 0.788 538 K N -1.266 118.967 120.400 -0.278 0.000 2.362 538 K HA -0.159 4.167 4.320 0.010 0.000 0.202 538 K C 1.669 178.049 176.600 -0.367 0.000 1.045 538 K CA 0.458 56.581 56.287 -0.274 0.000 0.936 538 K CB -0.676 31.685 32.500 -0.231 0.000 0.747 538 K HN 0.028 nan 8.250 nan 0.000 0.467 539 L N 0.356 121.255 121.223 -0.540 0.000 1.884 539 L HA -0.197 4.149 4.340 0.010 0.000 0.236 539 L C 1.647 178.373 176.870 -0.240 0.000 1.088 539 L CA 1.984 56.537 54.840 -0.478 0.000 0.841 539 L CB -0.499 41.253 42.059 -0.512 0.000 0.900 539 L HN 0.279 nan 8.230 nan 0.000 0.427 540 L N -3.817 117.304 121.223 -0.171 0.000 1.835 540 L HA 0.247 4.593 4.340 0.010 0.000 0.207 540 L C 0.441 177.256 176.870 -0.092 0.000 1.220 540 L CA 1.342 56.091 54.840 -0.153 0.000 1.307 540 L CB -0.583 41.375 42.059 -0.169 0.000 2.618 540 L HN 0.720 nan 8.230 nan 0.000 0.514 541 S N 0.000 115.653 115.700 -0.078 0.000 2.498 541 S HA 0.000 4.476 4.470 0.010 0.000 0.327 541 S CA 0.000 58.150 58.200 -0.083 0.000 1.107 541 S CB 0.000 63.140 63.200 -0.100 0.000 0.593 541 S HN 0.000 nan 8.310 nan 0.000 0.517