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 2o9o_1_A DATA FIRST_RESID 1 DATA SEQUENCE YKLIcYYTSW SQYREGDGSC FPDAIDPFLc THVIYSFANI SNNEIDTWEW DATA SEQUENCE NDVTLYDTLN TLKNRNPNLK TLLSVGGWNY GSQRFSKIAS KTQSRRTFIK DATA SEQUENCE SVPPFLRTHG FDGLDLAWLW PGWRDKRHLT TLVKEMKAEF VREAQAGTEQ DATA SEQUENCE LLLSAAVTAG KIAIDRGYDI AQISRHLDFI SLLTYDFHGA WRQTVGHHSP DATA SEQUENCE LFRGNEDASS XRFSNADYAV SYMLRLGAPA NKLVMGIPTF GRSYTLASSK DATA SEQUENCE TDVGAPISGP GIPGRFTKWK GILAYYEIcD FLHGATTHRF RDQQVPYATK DATA SEQUENCE GNQWVAYDDQ ESVKNKARYL KNRQLAGAMV WALDLDDFRG TFcGQNLTFP DATA SEQUENCE LTSAIKDVLA RV 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 1 Y HA 0.000 nan 4.550 nan 0.000 0.201 1 Y C 0.000 175.893 175.900 -0.012 0.000 1.272 1 Y CA 0.000 58.097 58.100 -0.005 0.000 1.940 1 Y CB 0.000 38.463 38.460 0.005 0.000 1.050 2 K N 3.627 124.101 120.400 0.123 0.000 2.185 2 K HA 0.624 4.948 4.320 0.005 0.000 0.271 2 K C -0.732 175.859 176.600 -0.016 0.000 1.013 2 K CA -0.626 55.660 56.287 -0.003 0.000 0.943 2 K CB 1.338 33.706 32.500 -0.220 0.000 0.998 2 K HN 0.554 nan 8.250 nan 0.000 0.468 3 L N 5.031 126.253 121.223 -0.001 0.000 2.462 3 L HA 0.304 4.648 4.340 0.005 0.000 0.255 3 L C -1.162 175.708 176.870 -0.000 0.000 1.076 3 L CA -0.758 54.083 54.840 0.002 0.000 0.920 3 L CB 0.731 42.804 42.059 0.023 0.000 1.214 3 L HN 0.559 nan 8.230 nan 0.000 0.472 4 I N 2.338 122.879 120.570 -0.049 0.000 2.379 4 I HA 0.145 4.318 4.170 0.005 0.000 0.290 4 I C 0.125 176.277 176.117 0.058 0.000 1.063 4 I CA -0.032 61.254 61.300 -0.024 0.000 1.351 4 I CB 0.503 38.478 38.000 -0.042 0.000 1.410 4 I HN 0.471 nan 8.210 nan 0.000 0.505 5 c N 7.025 125.639 118.600 0.022 0.000 2.379 5 c HA 0.513 5.086 4.570 0.005 0.000 0.323 5 c C -0.012 174.071 174.090 -0.011 0.000 1.262 5 c CA -0.778 55.572 56.329 0.036 0.000 1.581 5 c CB 0.690 43.182 42.510 -0.031 0.000 2.221 5 c HN 0.560 nan 8.230 nan 0.000 0.497 6 Y N 1.291 121.583 120.300 -0.013 0.000 2.323 6 Y HA 0.486 5.039 4.550 0.006 0.000 0.331 6 Y C -0.103 175.616 175.900 -0.302 0.000 1.092 6 Y CA -0.076 57.947 58.100 -0.127 0.000 1.150 6 Y CB 0.863 39.227 38.460 -0.160 0.000 1.200 6 Y HN 0.710 nan 8.280 nan 0.000 0.472 7 Y N 2.723 122.833 120.300 -0.317 0.000 2.376 7 Y HA 0.491 5.045 4.550 0.006 0.000 0.340 7 Y C -0.492 174.967 175.900 -0.734 0.000 0.965 7 Y CA -1.215 56.596 58.100 -0.482 0.000 1.078 7 Y CB 1.311 39.559 38.460 -0.353 0.000 1.193 7 Y HN 0.637 nan 8.280 nan 0.000 0.452 8 T N 1.722 115.237 114.554 -1.732 0.000 2.829 8 T HA 0.295 4.648 4.350 0.005 0.000 0.282 8 T C 0.873 174.364 174.700 -2.014 0.000 0.990 8 T CA -0.376 60.575 62.100 -1.915 0.000 1.028 8 T CB 1.653 69.153 68.868 -2.279 0.000 0.951 8 T HN 0.719 nan 8.240 nan 0.000 0.460 9 S N 1.454 116.341 115.700 -1.355 0.000 2.365 9 S HA -0.123 4.350 4.470 0.005 0.000 0.221 9 S C 1.541 175.832 174.600 -0.515 0.000 1.037 9 S CA 2.051 59.842 58.200 -0.682 0.000 1.060 9 S CB -0.671 62.472 63.200 -0.094 0.000 0.974 9 S HN 1.018 nan 8.310 nan 0.000 0.427 10 W N 2.532 123.679 121.300 -0.254 0.000 2.662 10 W HA -0.042 4.621 4.660 0.005 0.000 0.249 10 W C 1.786 178.188 176.519 -0.196 0.000 1.251 10 W CA 0.730 58.046 57.345 -0.049 0.000 1.277 10 W CB -1.080 28.432 29.460 0.086 0.000 1.140 10 W HN 0.321 nan 8.180 nan 0.000 0.645 11 S N 0.907 116.126 115.700 -0.802 0.000 2.515 11 S HA -0.265 4.208 4.470 0.005 0.000 0.231 11 S C 1.783 176.088 174.600 -0.490 0.000 0.987 11 S CA 1.039 58.860 58.200 -0.633 0.000 0.936 11 S CB -0.797 61.904 63.200 -0.831 0.000 0.766 11 S HN 0.747 nan 8.310 nan 0.000 0.528 12 Q N -0.266 119.129 119.800 -0.675 0.000 2.297 12 Q HA -0.087 4.256 4.340 0.005 0.000 0.204 12 Q C 1.281 177.021 176.000 -0.433 0.000 0.962 12 Q CA 1.113 56.407 55.803 -0.849 0.000 0.879 12 Q CB -0.765 27.301 28.738 -1.119 0.000 0.947 12 Q HN 0.656 nan 8.270 nan 0.000 0.462 13 Y N 1.190 121.496 120.300 0.008 0.000 2.395 13 Y HA 0.143 4.696 4.550 0.005 0.000 0.293 13 Y C 0.725 176.704 175.900 0.133 0.000 1.123 13 Y CA -0.211 57.966 58.100 0.129 0.000 1.227 13 Y CB -0.170 38.398 38.460 0.181 0.000 1.012 13 Y HN -0.043 nan 8.280 nan 0.000 0.552 14 R N 2.686 123.316 120.500 0.217 0.000 2.566 14 R HA -0.059 4.285 4.340 0.005 0.000 0.273 14 R C 0.554 177.006 176.300 0.253 0.000 0.981 14 R CA 0.263 56.503 56.100 0.233 0.000 1.091 14 R CB 0.082 30.501 30.300 0.199 0.000 0.924 14 R HN 0.431 nan 8.270 nan 0.000 0.411 15 E N 2.071 122.443 120.200 0.286 0.000 2.342 15 E HA 0.353 4.706 4.350 0.005 0.000 0.257 15 E C 0.768 177.573 176.600 0.342 0.000 1.150 15 E CA -0.435 56.130 56.400 0.275 0.000 0.926 15 E CB 0.577 30.408 29.700 0.218 0.000 1.074 15 E HN 0.650 nan 8.360 nan 0.000 0.449 16 G N 1.930 110.896 108.800 0.276 0.000 2.611 16 G HA2 -0.378 3.585 3.960 0.005 0.000 0.301 16 G HA3 -0.378 3.585 3.960 0.005 0.000 0.301 16 G C 0.382 175.411 174.900 0.216 0.000 1.233 16 G CA 0.462 45.728 45.100 0.277 0.000 0.993 16 G HN 0.757 nan 8.290 nan 0.000 0.553 17 D N 1.535 122.029 120.400 0.157 0.000 2.350 17 D HA 0.006 4.650 4.640 0.005 0.000 0.216 17 D C 2.420 178.631 176.300 -0.148 0.000 0.968 17 D CA 1.399 55.374 54.000 -0.042 0.000 0.894 17 D CB -0.686 40.051 40.800 -0.104 0.000 0.909 17 D HN 0.603 nan 8.370 nan 0.000 0.520 18 G N 0.508 109.269 108.800 -0.064 0.000 2.432 18 G HA2 -0.181 3.783 3.960 0.005 0.000 0.219 18 G HA3 -0.181 3.783 3.960 0.005 0.000 0.219 18 G C 0.946 175.965 174.900 0.197 0.000 1.135 18 G CA 0.098 45.219 45.100 0.035 0.000 0.767 18 G HN 0.153 nan 8.290 nan 0.000 0.550 19 S N -0.470 115.345 115.700 0.193 0.000 2.596 19 S HA 0.204 4.678 4.470 0.005 0.000 0.298 19 S C -0.200 174.466 174.600 0.109 0.000 1.255 19 S CA -0.197 58.086 58.200 0.139 0.000 1.083 19 S CB -0.166 63.176 63.200 0.236 0.000 0.837 19 S HN 0.346 nan 8.310 nan 0.000 0.499 20 C N 6.625 125.787 119.300 -0.229 0.000 2.482 20 C HA 0.806 5.269 4.460 0.005 0.000 0.317 20 C C -1.125 173.597 174.990 -0.447 0.000 1.197 20 C CA -0.782 58.002 59.018 -0.390 0.000 1.432 20 C CB -0.239 27.042 27.740 -0.764 0.000 2.062 20 C HN 0.840 nan 8.230 nan 0.000 0.471 21 F N 4.489 124.362 119.950 -0.129 0.000 2.603 21 F HA 0.465 4.995 4.527 0.005 0.000 0.317 21 F C -1.616 173.969 175.800 -0.358 0.000 1.066 21 F CA -1.839 56.065 58.000 -0.159 0.000 0.941 21 F CB 1.518 40.459 39.000 -0.099 0.000 1.291 21 F HN 0.333 nan 8.300 nan 0.000 0.472 22 P HA -0.171 nan 4.420 nan 0.000 0.221 22 P C 0.699 177.889 177.300 -0.183 0.000 1.141 22 P CA 1.423 64.272 63.100 -0.420 0.000 0.794 22 P CB 0.222 31.757 31.700 -0.275 0.000 0.764 23 D N -0.465 119.902 120.400 -0.055 0.000 2.103 23 D HA -0.185 4.459 4.640 0.005 0.000 0.190 23 D C 1.983 178.296 176.300 0.022 0.000 0.997 23 D CA 1.761 55.756 54.000 -0.010 0.000 0.833 23 D CB -0.834 39.985 40.800 0.033 0.000 0.961 23 D HN 0.010 nan 8.370 nan 0.000 0.447 24 A N -0.024 122.834 122.820 0.064 0.000 2.186 24 A HA -0.056 4.267 4.320 0.005 0.000 0.219 24 A C 1.010 178.739 177.584 0.241 0.000 1.159 24 A CA 0.394 52.527 52.037 0.159 0.000 0.680 24 A CB -0.714 18.403 19.000 0.196 0.000 0.787 24 A HN 0.285 nan 8.150 nan 0.000 0.467 25 I N 1.008 121.633 120.570 0.093 0.000 2.496 25 I HA 0.064 4.238 4.170 0.005 0.000 0.285 25 I C -0.081 176.037 176.117 0.001 0.000 1.080 25 I CA -0.465 60.853 61.300 0.031 0.000 1.404 25 I CB 0.721 38.635 38.000 -0.145 0.000 1.403 25 I HN 0.135 nan 8.210 nan 0.000 0.539 26 D N 9.185 129.571 120.400 -0.023 0.000 2.336 26 D HA 0.172 4.815 4.640 0.005 0.000 0.249 26 D C -1.731 174.501 176.300 -0.114 0.000 1.213 26 D CA -2.255 51.747 54.000 0.004 0.000 0.870 26 D CB 1.421 42.275 40.800 0.090 0.000 1.076 26 D HN 0.173 nan 8.370 nan 0.000 0.483 27 P HA -0.101 nan 4.420 nan 0.000 0.220 27 P C 0.464 177.378 177.300 -0.644 0.000 1.144 27 P CA 1.034 63.864 63.100 -0.450 0.000 0.800 27 P CB -0.002 31.318 31.700 -0.634 0.000 0.772 28 F N -2.739 117.178 119.950 -0.054 0.000 2.721 28 F HA 0.161 4.692 4.527 0.005 0.000 0.301 28 F C 1.932 177.702 175.800 -0.051 0.000 1.096 28 F CA -0.224 57.750 58.000 -0.044 0.000 1.308 28 F CB -0.843 38.142 39.000 -0.024 0.000 1.086 28 F HN -0.191 nan 8.300 nan 0.000 0.587 29 L N -0.066 121.165 121.223 0.012 0.000 1.955 29 L HA -0.145 4.199 4.340 0.005 0.000 0.213 29 L C 1.063 177.903 176.870 -0.051 0.000 1.072 29 L CA 1.496 56.308 54.840 -0.046 0.000 0.755 29 L CB -0.428 41.507 42.059 -0.206 0.000 0.888 29 L HN 0.112 nan 8.230 nan 0.000 0.432 30 c N -2.069 116.477 118.600 -0.091 0.000 2.380 30 c HA 0.503 5.076 4.570 0.005 0.000 0.393 30 c C 1.992 176.067 174.090 -0.024 0.000 1.284 30 c CA 0.052 56.351 56.329 -0.050 0.000 2.033 30 c CB 1.133 43.603 42.510 -0.066 0.000 2.165 30 c HN 0.630 nan 8.230 nan 0.000 0.540 31 T N -2.427 112.153 114.554 0.044 0.000 3.034 31 T HA 0.162 4.515 4.350 0.005 0.000 0.248 31 T C 0.033 174.710 174.700 -0.037 0.000 1.040 31 T CA 0.776 62.912 62.100 0.060 0.000 1.107 31 T CB -0.176 68.810 68.868 0.198 0.000 0.932 31 T HN 0.756 nan 8.240 nan 0.000 0.474 32 H N -0.103 118.923 119.070 -0.075 0.000 2.771 32 H HA 0.742 5.301 4.556 0.005 0.000 0.361 32 H C -1.334 173.958 175.328 -0.061 0.000 1.108 32 H CA -0.911 55.106 56.048 -0.051 0.000 1.201 32 H CB 2.078 31.820 29.762 -0.034 0.000 1.681 32 H HN 0.064 nan 8.280 nan 0.000 0.534 33 V N 4.237 124.176 119.914 0.041 0.000 2.495 33 V HA 0.395 4.518 4.120 0.005 0.000 0.298 33 V C -0.043 176.070 176.094 0.032 0.000 1.031 33 V CA -0.623 61.675 62.300 -0.004 0.000 0.871 33 V CB 1.719 33.516 31.823 -0.043 0.000 0.988 33 V HN 0.639 nan 8.190 nan 0.000 0.432 34 I N 4.357 124.892 120.570 -0.060 0.000 2.355 34 I HA 0.348 4.522 4.170 0.005 0.000 0.288 34 I C -0.925 175.211 176.117 0.032 0.000 0.999 34 I CA -0.684 60.572 61.300 -0.074 0.000 1.163 34 I CB 1.438 39.165 38.000 -0.455 0.000 1.316 34 I HN 0.596 nan 8.210 nan 0.000 0.454 35 Y N 5.580 125.936 120.300 0.093 0.000 2.402 35 Y HA 0.219 4.772 4.550 0.006 0.000 0.333 35 Y C 0.350 176.264 175.900 0.024 0.000 1.076 35 Y CA 0.596 58.779 58.100 0.137 0.000 1.299 35 Y CB 1.005 39.639 38.460 0.290 0.000 1.197 35 Y HN 0.468 nan 8.280 nan 0.000 0.517 36 S N 6.188 121.663 115.700 -0.376 0.000 2.519 36 S HA 0.643 5.116 4.470 0.005 0.000 0.309 36 S C -1.500 172.855 174.600 -0.409 0.000 1.100 36 S CA -0.421 57.431 58.200 -0.581 0.000 1.059 36 S CB 0.204 62.886 63.200 -0.864 0.000 1.008 36 S HN 0.511 nan 8.310 nan 0.000 0.478 37 F N 1.559 121.586 119.950 0.129 0.000 2.588 37 F HA 0.740 5.270 4.527 0.005 0.000 0.314 37 F C 0.470 176.448 175.800 0.296 0.000 1.069 37 F CA -0.797 57.302 58.000 0.165 0.000 0.931 37 F CB 1.639 40.636 39.000 -0.004 0.000 1.260 37 F HN 0.621 nan 8.300 nan 0.000 0.465 38 A N 1.607 124.760 122.820 0.556 0.000 2.242 38 A HA 0.678 5.001 4.320 0.005 0.000 0.304 38 A C -0.797 177.124 177.584 0.562 0.000 1.100 38 A CA -0.343 52.003 52.037 0.515 0.000 0.860 38 A CB 0.738 19.935 19.000 0.327 0.000 1.168 38 A HN 0.719 nan 8.150 nan 0.000 0.503 39 N N -1.337 117.648 118.700 0.474 0.000 2.380 39 N HA 0.617 5.360 4.740 0.005 0.000 0.290 39 N C -1.432 174.180 175.510 0.170 0.000 1.236 39 N CA -0.566 52.738 53.050 0.423 0.000 0.780 39 N CB 1.186 39.876 38.487 0.339 0.000 1.438 39 N HN 0.477 nan 8.380 nan 0.000 0.491 40 I N 0.695 121.342 120.570 0.128 0.000 2.406 40 I HA 0.401 4.574 4.170 0.005 0.000 0.290 40 I C -0.395 175.687 176.117 -0.059 0.000 0.999 40 I CA -0.650 60.637 61.300 -0.021 0.000 1.124 40 I CB 1.706 39.588 38.000 -0.196 0.000 1.289 40 I HN 0.281 nan 8.210 nan 0.000 0.441 41 S N 4.432 120.098 115.700 -0.057 0.000 2.614 41 S HA 0.372 4.845 4.470 0.005 0.000 0.275 41 S C -0.325 174.247 174.600 -0.047 0.000 1.161 41 S CA -0.598 57.563 58.200 -0.064 0.000 0.969 41 S CB 0.773 63.943 63.200 -0.049 0.000 1.059 41 S HN 0.837 nan 8.310 nan 0.000 0.482 42 N N 3.558 122.224 118.700 -0.056 0.000 2.758 42 N HA -0.161 4.582 4.740 0.005 0.000 0.248 42 N C -0.245 175.248 175.510 -0.029 0.000 1.076 42 N CA 0.509 53.535 53.050 -0.039 0.000 0.696 42 N CB -1.087 37.389 38.487 -0.019 0.000 0.979 42 N HN 0.739 nan 8.380 nan 0.000 0.550 43 N N -1.676 116.991 118.700 -0.054 0.000 2.678 43 N HA -0.209 4.535 4.740 0.005 0.000 0.250 43 N C -0.787 174.762 175.510 0.065 0.000 1.136 43 N CA 1.670 54.696 53.050 -0.040 0.000 0.757 43 N CB -0.615 37.856 38.487 -0.026 0.000 1.135 43 N HN 0.721 nan 8.380 nan 0.000 0.565 44 E N 0.074 120.305 120.200 0.051 0.000 2.256 44 E HA 0.429 4.782 4.350 0.005 0.000 0.267 44 E C 0.225 176.848 176.600 0.038 0.000 0.892 44 E CA -0.906 55.542 56.400 0.081 0.000 0.775 44 E CB 2.261 31.972 29.700 0.018 0.000 1.207 44 E HN 0.137 nan 8.360 nan 0.000 0.420 45 I N 1.709 122.276 120.570 -0.006 0.000 2.813 45 I HA -0.049 4.125 4.170 0.005 0.000 0.287 45 I C -0.375 175.460 176.117 -0.471 0.000 1.196 45 I CA 1.054 62.250 61.300 -0.174 0.000 1.421 45 I CB 0.378 38.203 38.000 -0.293 0.000 1.365 45 I HN 0.566 nan 8.210 nan 0.000 0.591 46 D N 3.364 123.543 120.400 -0.369 0.000 2.639 46 D HA 0.296 4.939 4.640 0.005 0.000 0.271 46 D C -0.823 175.518 176.300 0.067 0.000 1.254 46 D CA -0.148 53.702 54.000 -0.250 0.000 0.810 46 D CB 1.526 42.297 40.800 -0.049 0.000 1.351 46 D HN 0.623 nan 8.370 nan 0.000 0.427 47 T N -1.711 113.019 114.554 0.294 0.000 2.726 47 T HA 0.132 4.485 4.350 0.005 0.000 0.294 47 T C 0.388 175.322 174.700 0.389 0.000 1.013 47 T CA -0.229 62.112 62.100 0.402 0.000 0.996 47 T CB 0.878 69.902 68.868 0.259 0.000 1.016 47 T HN 0.543 nan 8.240 nan 0.000 0.529 48 W N 0.059 121.515 121.300 0.260 0.000 3.705 48 W HA 0.261 4.924 4.660 0.005 0.000 0.224 48 W C 0.374 177.051 176.519 0.262 0.000 0.882 48 W CA 0.101 57.607 57.345 0.269 0.000 2.321 48 W CB -0.103 29.566 29.460 0.349 0.000 1.107 48 W HN 0.594 nan 8.180 nan 0.000 0.692 49 E N 1.222 121.839 120.200 0.695 0.000 2.397 49 E HA -0.049 4.304 4.350 0.005 0.000 0.254 49 E C 1.476 178.291 176.600 0.358 0.000 1.231 49 E CA 0.325 57.064 56.400 0.564 0.000 0.954 49 E CB -0.111 29.849 29.700 0.434 0.000 1.024 49 E HN 0.317 nan 8.360 nan 0.000 0.481 50 W N 1.853 123.290 121.300 0.227 0.000 2.407 50 W HA -0.104 4.559 4.660 0.005 0.000 0.305 50 W C 0.861 177.443 176.519 0.105 0.000 1.196 50 W CA 0.969 58.401 57.345 0.145 0.000 1.311 50 W CB -1.120 28.426 29.460 0.144 0.000 1.135 50 W HN 0.372 nan 8.180 nan 0.000 0.514 51 N N 1.145 119.404 118.700 -0.735 0.000 2.322 51 N HA -0.075 4.668 4.740 0.005 0.000 0.216 51 N C 0.503 175.765 175.510 -0.412 0.000 1.144 51 N CA 0.503 53.161 53.050 -0.653 0.000 0.830 51 N CB -0.761 37.037 38.487 -1.148 0.000 1.034 51 N HN -0.035 nan 8.380 nan 0.000 0.484 52 D N 0.960 121.160 120.400 -0.334 0.000 2.116 52 D HA -0.163 4.480 4.640 0.005 0.000 0.193 52 D C 2.144 177.936 176.300 -0.847 0.000 0.998 52 D CA 1.751 55.437 54.000 -0.524 0.000 0.836 52 D CB -0.164 40.321 40.800 -0.524 0.000 0.951 52 D HN 0.251 nan 8.370 nan 0.000 0.449 53 V N -0.866 118.662 119.914 -0.643 0.000 2.317 53 V HA -0.305 3.818 4.120 0.005 0.000 0.251 53 V C 2.202 178.133 176.094 -0.272 0.000 1.065 53 V CA 2.344 64.360 62.300 -0.474 0.000 1.049 53 V CB -1.583 30.136 31.823 -0.174 0.000 0.651 53 V HN 0.083 nan 8.190 nan 0.000 0.450 54 T N 0.981 115.401 114.554 -0.223 0.000 2.777 54 T HA 0.007 4.360 4.350 0.005 0.000 0.266 54 T C 1.933 176.565 174.700 -0.114 0.000 1.040 54 T CA 1.969 63.985 62.100 -0.139 0.000 1.141 54 T CB -0.361 68.425 68.868 -0.137 0.000 0.868 54 T HN 0.409 nan 8.240 nan 0.000 0.444 55 L N -0.380 120.763 121.223 -0.134 0.000 2.093 55 L HA -0.064 4.280 4.340 0.005 0.000 0.208 55 L C 2.565 179.424 176.870 -0.018 0.000 1.085 55 L CA 1.278 56.109 54.840 -0.016 0.000 0.755 55 L CB -0.710 41.426 42.059 0.128 0.000 0.904 55 L HN 0.243 nan 8.230 nan 0.000 0.435 56 Y N 0.617 120.749 120.300 -0.279 0.000 2.114 56 Y HA -0.319 4.234 4.550 0.005 0.000 0.282 56 Y C 2.502 178.227 175.900 -0.293 0.000 1.165 56 Y CA 1.420 59.318 58.100 -0.337 0.000 1.148 56 Y CB -0.983 37.319 38.460 -0.264 0.000 0.972 56 Y HN 0.308 nan 8.280 nan 0.000 0.504 57 D N -0.862 119.527 120.400 -0.019 0.000 2.104 57 D HA -0.149 4.494 4.640 0.005 0.000 0.194 57 D C 2.029 178.273 176.300 -0.093 0.000 0.994 57 D CA 2.143 56.104 54.000 -0.065 0.000 0.830 57 D CB -0.111 40.662 40.800 -0.044 0.000 0.959 57 D HN 0.220 nan 8.370 nan 0.000 0.452 58 T N 0.208 114.716 114.554 -0.076 0.000 2.720 58 T HA -0.164 4.189 4.350 0.005 0.000 0.268 58 T C 1.788 176.422 174.700 -0.110 0.000 1.037 58 T CA 1.184 63.235 62.100 -0.081 0.000 1.144 58 T CB -0.417 68.419 68.868 -0.054 0.000 0.864 58 T HN 0.113 nan 8.240 nan 0.000 0.444 59 L N 1.649 122.800 121.223 -0.119 0.000 2.056 59 L HA 0.037 4.380 4.340 0.005 0.000 0.207 59 L C 1.637 178.389 176.870 -0.197 0.000 1.078 59 L CA 1.789 56.538 54.840 -0.151 0.000 0.749 59 L CB -0.801 41.203 42.059 -0.092 0.000 0.901 59 L HN 0.223 nan 8.230 nan 0.000 0.433 60 N N -1.519 117.033 118.700 -0.247 0.000 2.521 60 N HA -0.103 4.640 4.740 0.005 0.000 0.188 60 N C 1.273 176.669 175.510 -0.190 0.000 1.146 60 N CA 0.814 53.702 53.050 -0.270 0.000 0.893 60 N CB 0.004 38.270 38.487 -0.368 0.000 0.975 60 N HN 0.599 nan 8.380 nan 0.000 0.451 61 T N -1.435 113.026 114.554 -0.155 0.000 3.014 61 T HA 0.067 4.420 4.350 0.005 0.000 0.263 61 T C 1.774 176.397 174.700 -0.129 0.000 1.078 61 T CA 0.185 62.211 62.100 -0.124 0.000 1.135 61 T CB -0.257 68.551 68.868 -0.099 0.000 0.895 61 T HN 0.109 nan 8.240 nan 0.000 0.480 62 L N 0.382 121.515 121.223 -0.150 0.000 2.189 62 L HA -0.122 4.222 4.340 0.005 0.000 0.214 62 L C 2.738 179.494 176.870 -0.191 0.000 1.097 62 L CA 1.518 56.255 54.840 -0.171 0.000 0.764 62 L CB -0.587 41.357 42.059 -0.192 0.000 0.900 62 L HN 0.290 nan 8.230 nan 0.000 0.436 63 K N -0.269 120.025 120.400 -0.175 0.000 2.362 63 K HA -0.109 4.214 4.320 0.005 0.000 0.200 63 K C 1.781 178.304 176.600 -0.129 0.000 1.046 63 K CA 0.668 56.856 56.287 -0.164 0.000 0.952 63 K CB -0.082 32.326 32.500 -0.154 0.000 0.753 63 K HN 0.272 nan 8.250 nan 0.000 0.466 64 N N 0.717 119.350 118.700 -0.111 0.000 2.188 64 N HA -0.101 4.642 4.740 0.005 0.000 0.184 64 N C 1.401 176.876 175.510 -0.058 0.000 1.018 64 N CA 1.055 54.061 53.050 -0.074 0.000 0.858 64 N CB 0.072 38.521 38.487 -0.063 0.000 0.989 64 N HN 0.179 nan 8.380 nan 0.000 0.426 65 R N -0.146 120.305 120.500 -0.081 0.000 2.161 65 R HA 0.084 4.427 4.340 0.005 0.000 0.213 65 R C 0.010 176.275 176.300 -0.059 0.000 1.055 65 R CA 0.393 56.471 56.100 -0.036 0.000 0.996 65 R CB -0.050 30.223 30.300 -0.047 0.000 0.901 65 R HN 0.090 nan 8.270 nan 0.000 0.456 66 N N 0.206 118.780 118.700 -0.210 0.000 2.609 66 N HA 0.174 4.918 4.740 0.005 0.000 0.268 66 N C -2.408 173.012 175.510 -0.150 0.000 1.106 66 N CA -2.118 50.787 53.050 -0.242 0.000 0.823 66 N CB 1.833 39.925 38.487 -0.659 0.000 1.263 66 N HN -0.263 nan 8.380 nan 0.000 0.533 67 P HA 0.039 nan 4.420 nan 0.000 0.219 67 P C 0.485 177.742 177.300 -0.071 0.000 1.150 67 P CA 0.954 64.016 63.100 -0.062 0.000 0.814 67 P CB 0.443 32.127 31.700 -0.027 0.000 0.787 68 N N -1.051 117.612 118.700 -0.060 0.000 2.494 68 N HA 0.007 4.750 4.740 0.005 0.000 0.182 68 N C 0.442 175.876 175.510 -0.127 0.000 1.076 68 N CA 0.124 53.133 53.050 -0.068 0.000 0.908 68 N CB -0.394 38.077 38.487 -0.027 0.000 0.967 68 N HN 0.118 nan 8.380 nan 0.000 0.449 69 L N 1.783 122.910 121.223 -0.161 0.000 2.418 69 L HA 0.120 4.463 4.340 0.005 0.000 0.274 69 L C -0.494 176.248 176.870 -0.213 0.000 1.135 69 L CA 0.136 54.851 54.840 -0.209 0.000 0.870 69 L CB 0.262 42.182 42.059 -0.233 0.000 1.154 69 L HN -0.008 nan 8.230 nan 0.000 0.462 70 K N 3.755 123.984 120.400 -0.284 0.000 2.123 70 K HA 0.509 4.833 4.320 0.005 0.000 0.259 70 K C -0.109 176.417 176.600 -0.122 0.000 0.960 70 K CA -0.544 55.612 56.287 -0.218 0.000 0.872 70 K CB 1.851 34.186 32.500 -0.275 0.000 1.079 70 K HN 0.670 nan 8.250 nan 0.000 0.440 71 T N -0.743 113.796 114.554 -0.025 0.000 2.908 71 T HA 0.757 5.111 4.350 0.005 0.000 0.290 71 T C -0.379 174.480 174.700 0.264 0.000 1.034 71 T CA -0.867 61.281 62.100 0.081 0.000 1.010 71 T CB 1.013 69.875 68.868 -0.011 0.000 1.068 71 T HN 0.275 nan 8.240 nan 0.000 0.481 72 L N 1.171 122.589 121.223 0.324 0.000 2.376 72 L HA 0.764 5.107 4.340 0.005 0.000 0.258 72 L C -1.173 175.780 176.870 0.138 0.000 1.013 72 L CA -1.032 53.965 54.840 0.262 0.000 0.822 72 L CB 2.027 44.197 42.059 0.185 0.000 1.388 72 L HN 0.702 nan 8.230 nan 0.000 0.413 73 L N 0.329 121.432 121.223 -0.200 0.000 2.322 73 L HA 0.727 5.071 4.340 0.005 0.000 0.281 73 L C -0.330 176.539 176.870 -0.003 0.000 1.014 73 L CA 0.136 54.781 54.840 -0.326 0.000 0.815 73 L CB 1.870 43.388 42.059 -0.902 0.000 1.247 73 L HN 0.560 nan 8.230 nan 0.000 0.421 74 S N 3.700 119.497 115.700 0.162 0.000 2.462 74 S HA 0.727 5.200 4.470 0.005 0.000 0.294 74 S C -0.808 174.051 174.600 0.431 0.000 1.144 74 S CA -0.651 57.740 58.200 0.320 0.000 1.088 74 S CB 0.706 64.165 63.200 0.431 0.000 1.009 74 S HN 0.516 nan 8.310 nan 0.000 0.484 75 V N 3.533 123.651 119.914 0.340 0.000 2.427 75 V HA 0.977 5.100 4.120 0.005 0.000 0.286 75 V C 1.066 177.222 176.094 0.104 0.000 1.034 75 V CA 0.226 62.669 62.300 0.238 0.000 0.893 75 V CB 0.053 32.028 31.823 0.255 0.000 0.982 75 V HN 1.251 nan 8.190 nan 0.000 0.452 76 G N 2.360 110.997 108.800 -0.272 0.000 2.253 76 G HA2 0.534 4.497 3.960 0.005 0.000 0.190 76 G HA3 0.534 4.497 3.960 0.005 0.000 0.190 76 G C 0.231 174.494 174.900 -1.062 0.000 1.274 76 G CA -0.009 44.730 45.100 -0.602 0.000 1.275 76 G HN 2.657 nan 8.290 nan 0.000 0.518 77 G N -2.269 105.717 108.800 -1.358 0.000 2.612 77 G HA2 0.094 4.057 3.960 0.005 0.000 0.686 77 G HA3 0.094 4.057 3.960 0.005 0.000 0.686 77 G C 0.705 175.190 174.900 -0.692 0.000 1.274 77 G CA 0.493 44.518 45.100 -1.793 0.000 0.849 77 G HN 1.276 nan 8.290 nan 0.000 0.595 78 W N -0.072 121.024 121.300 -0.341 0.000 2.407 78 W HA -0.033 4.631 4.660 0.007 0.000 0.305 78 W C 2.059 178.511 176.519 -0.112 0.000 1.196 78 W CA 1.193 58.407 57.345 -0.218 0.000 1.311 78 W CB -0.438 28.924 29.460 -0.163 0.000 1.135 78 W HN 0.552 nan 8.180 nan 0.000 0.514 79 N N -0.084 118.741 118.700 0.207 0.000 2.551 79 N HA -0.096 4.647 4.740 0.005 0.000 0.199 79 N C -0.771 174.895 175.510 0.260 0.000 1.277 79 N CA 0.515 53.667 53.050 0.170 0.000 0.870 79 N CB -0.396 38.158 38.487 0.112 0.000 1.028 79 N HN 0.154 nan 8.380 nan 0.000 0.452 80 Y N 0.247 120.586 120.300 0.064 0.000 2.376 80 Y HA 0.428 4.981 4.550 0.005 0.000 0.340 80 Y C 0.389 176.300 175.900 0.019 0.000 0.965 80 Y CA -1.017 57.139 58.100 0.094 0.000 1.078 80 Y CB 1.219 39.705 38.460 0.043 0.000 1.193 80 Y HN -0.076 nan 8.280 nan 0.000 0.452 81 G N 2.712 111.363 108.800 -0.248 0.000 2.365 81 G HA2 0.091 4.054 3.960 0.005 0.000 0.249 81 G HA3 0.091 4.054 3.960 0.005 0.000 0.249 81 G C 0.728 175.671 174.900 0.072 0.000 1.288 81 G CA 0.206 45.246 45.100 -0.100 0.000 0.887 81 G HN 0.780 nan 8.290 nan 0.000 0.524 82 S N 1.372 117.163 115.700 0.152 0.000 2.423 82 S HA -0.131 4.342 4.470 0.005 0.000 0.231 82 S C 2.388 177.133 174.600 0.242 0.000 1.014 82 S CA 1.674 60.060 58.200 0.309 0.000 0.965 82 S CB -0.191 63.218 63.200 0.350 0.000 0.785 82 S HN 0.720 nan 8.310 nan 0.000 0.495 83 Q N 1.159 121.019 119.800 0.100 0.000 2.050 83 Q HA -0.141 4.203 4.340 0.005 0.000 0.202 83 Q C 2.250 178.229 176.000 -0.034 0.000 0.980 83 Q CA 1.139 56.964 55.803 0.036 0.000 0.840 83 Q CB -0.624 28.104 28.738 -0.017 0.000 0.898 83 Q HN 0.573 nan 8.270 nan 0.000 0.424 84 R N -0.187 120.241 120.500 -0.120 0.000 2.083 84 R HA -0.094 4.249 4.340 0.005 0.000 0.237 84 R C 2.273 178.438 176.300 -0.225 0.000 1.137 84 R CA 1.419 57.381 56.100 -0.230 0.000 0.951 84 R CB -0.440 29.585 30.300 -0.458 0.000 0.851 84 R HN 0.133 nan 8.270 nan 0.000 0.434 85 F N 1.111 120.892 119.950 -0.282 0.000 2.102 85 F HA -0.241 4.289 4.527 0.005 0.000 0.298 85 F C 2.850 178.221 175.800 -0.714 0.000 1.105 85 F CA 1.800 59.394 58.000 -0.677 0.000 1.239 85 F CB -0.701 37.480 39.000 -1.364 0.000 0.991 85 F HN -0.031 nan 8.300 nan 0.000 0.474 86 S N -0.257 115.356 115.700 -0.145 0.000 2.392 86 S HA -0.248 4.225 4.470 0.005 0.000 0.232 86 S C 2.220 176.825 174.600 0.008 0.000 1.041 86 S CA 1.562 59.852 58.200 0.149 0.000 1.026 86 S CB -0.329 63.045 63.200 0.290 0.000 0.845 86 S HN 0.332 nan 8.310 nan 0.000 0.465 87 K N -0.032 120.320 120.400 -0.079 0.000 2.097 87 K HA 0.015 4.338 4.320 0.005 0.000 0.205 87 K C 1.983 178.492 176.600 -0.152 0.000 1.050 87 K CA 1.356 57.578 56.287 -0.109 0.000 0.938 87 K CB -0.326 32.101 32.500 -0.122 0.000 0.718 87 K HN 0.430 nan 8.250 nan 0.000 0.442 88 I N 0.777 121.213 120.570 -0.223 0.000 2.546 88 I HA -0.177 3.997 4.170 0.005 0.000 0.255 88 I C 2.199 178.214 176.117 -0.170 0.000 1.163 88 I CA 0.743 61.897 61.300 -0.243 0.000 1.457 88 I CB -0.064 37.674 38.000 -0.436 0.000 1.092 88 I HN 0.059 nan 8.210 nan 0.000 0.434 89 A N -0.229 122.510 122.820 -0.136 0.000 2.021 89 A HA -0.080 4.243 4.320 0.005 0.000 0.216 89 A C 2.397 179.878 177.584 -0.171 0.000 1.163 89 A CA 1.336 53.349 52.037 -0.040 0.000 0.676 89 A CB -0.533 18.550 19.000 0.138 0.000 0.818 89 A HN 0.442 nan 8.150 nan 0.000 0.453 90 S N 0.300 115.813 115.700 -0.313 0.000 2.446 90 S HA 0.032 4.505 4.470 0.005 0.000 0.225 90 S C 0.657 175.059 174.600 -0.330 0.000 1.016 90 S CA 0.202 58.011 58.200 -0.651 0.000 0.943 90 S CB -0.211 62.668 63.200 -0.534 0.000 0.786 90 S HN 0.574 nan 8.310 nan 0.000 0.508 91 K N 2.601 122.891 120.400 -0.184 0.000 2.292 91 K HA 0.296 4.619 4.320 0.005 0.000 0.270 91 K C 0.984 177.538 176.600 -0.076 0.000 1.062 91 K CA 0.199 56.420 56.287 -0.109 0.000 0.916 91 K CB 1.124 33.572 32.500 -0.086 0.000 1.166 91 K HN 0.228 nan 8.250 nan 0.000 0.458 92 T N 0.039 114.560 114.554 -0.055 0.000 2.822 92 T HA -0.259 4.094 4.350 0.005 0.000 0.270 92 T C 1.579 176.270 174.700 -0.015 0.000 1.064 92 T CA 1.429 63.514 62.100 -0.025 0.000 1.131 92 T CB -0.038 68.823 68.868 -0.012 0.000 0.858 92 T HN 0.474 nan 8.240 nan 0.000 0.483 93 Q N 0.180 119.968 119.800 -0.020 0.000 2.378 93 Q HA 0.232 4.575 4.340 0.005 0.000 0.205 93 Q C 2.505 178.499 176.000 -0.010 0.000 0.954 93 Q CA 0.947 56.743 55.803 -0.012 0.000 0.901 93 Q CB -0.134 28.595 28.738 -0.015 0.000 0.981 93 Q HN 0.582 nan 8.270 nan 0.000 0.483 94 S N -0.812 114.874 115.700 -0.023 0.000 2.404 94 S HA 0.031 4.504 4.470 0.005 0.000 0.223 94 S C 1.681 176.290 174.600 0.015 0.000 1.040 94 S CA 0.335 58.520 58.200 -0.026 0.000 0.957 94 S CB 0.042 63.201 63.200 -0.069 0.000 0.826 94 S HN 0.317 nan 8.310 nan 0.000 0.491 95 R N 1.615 122.124 120.500 0.016 0.000 2.070 95 R HA -0.031 4.312 4.340 0.005 0.000 0.233 95 R C 2.482 178.850 176.300 0.113 0.000 1.137 95 R CA 1.445 57.594 56.100 0.082 0.000 0.945 95 R CB -0.236 30.093 30.300 0.048 0.000 0.845 95 R HN 0.219 nan 8.270 nan 0.000 0.430 96 R N -0.392 120.140 120.500 0.053 0.000 2.091 96 R HA -0.121 4.223 4.340 0.005 0.000 0.238 96 R C 1.911 178.234 176.300 0.039 0.000 1.136 96 R CA 2.119 58.239 56.100 0.034 0.000 0.959 96 R CB -0.429 29.880 30.300 0.016 0.000 0.856 96 R HN 0.235 nan 8.270 nan 0.000 0.437 97 T N 0.669 115.254 114.554 0.051 0.000 2.746 97 T HA -0.162 4.191 4.350 0.005 0.000 0.267 97 T C 1.248 176.002 174.700 0.090 0.000 1.039 97 T CA 1.487 63.617 62.100 0.052 0.000 1.142 97 T CB -0.324 68.569 68.868 0.041 0.000 0.866 97 T HN 0.301 nan 8.240 nan 0.000 0.444 98 F N 1.616 121.538 119.950 -0.046 0.000 2.102 98 F HA 0.009 4.539 4.527 0.006 0.000 0.298 98 F C 1.946 177.731 175.800 -0.026 0.000 1.105 98 F CA 0.896 58.863 58.000 -0.056 0.000 1.239 98 F CB -0.608 38.342 39.000 -0.084 0.000 0.991 98 F HN 0.105 nan 8.300 nan 0.000 0.474 99 I N 0.369 120.837 120.570 -0.170 0.000 2.163 99 I HA -0.317 3.856 4.170 0.005 0.000 0.243 99 I C 2.418 178.432 176.117 -0.172 0.000 1.085 99 I CA 1.329 62.462 61.300 -0.279 0.000 1.347 99 I CB -0.548 37.385 38.000 -0.112 0.000 1.044 99 I HN 0.052 nan 8.210 nan 0.000 0.408 100 K N 0.706 121.061 120.400 -0.076 0.000 2.209 100 K HA -0.126 4.197 4.320 0.005 0.000 0.204 100 K C 2.226 178.815 176.600 -0.019 0.000 1.048 100 K CA 1.694 57.966 56.287 -0.025 0.000 0.940 100 K CB -0.315 32.184 32.500 -0.002 0.000 0.729 100 K HN 0.438 nan 8.250 nan 0.000 0.451 101 S N -0.372 115.297 115.700 -0.052 0.000 2.489 101 S HA -0.024 4.449 4.470 0.005 0.000 0.228 101 S C 2.059 176.657 174.600 -0.002 0.000 0.995 101 S CA 0.474 58.664 58.200 -0.018 0.000 0.934 101 S CB -0.129 63.056 63.200 -0.025 0.000 0.771 101 S HN -0.055 nan 8.310 nan 0.000 0.522 102 V N 3.050 122.925 119.914 -0.064 0.000 2.244 102 V HA -0.008 4.115 4.120 0.005 0.000 0.244 102 V C -0.295 175.866 176.094 0.111 0.000 1.042 102 V CA 1.681 63.990 62.300 0.014 0.000 1.006 102 V CB -1.638 30.162 31.823 -0.038 0.000 0.641 102 V HN 0.349 nan 8.190 nan 0.000 0.446 103 P HA -0.136 nan 4.420 nan 0.000 0.215 103 P C -1.355 175.964 177.300 0.033 0.000 1.163 103 P CA 2.202 65.314 63.100 0.020 0.000 0.894 103 P CB -1.327 30.395 31.700 0.037 0.000 0.791 104 P HA -0.196 nan 4.420 nan 0.000 0.215 104 P C 1.553 178.910 177.300 0.095 0.000 1.157 104 P CA 1.222 64.357 63.100 0.058 0.000 0.874 104 P CB -0.525 31.218 31.700 0.072 0.000 0.790 105 F N -0.401 119.555 119.950 0.009 0.000 2.102 105 F HA -0.183 4.348 4.527 0.005 0.000 0.298 105 F C 1.920 177.770 175.800 0.084 0.000 1.105 105 F CA 1.353 59.389 58.000 0.060 0.000 1.239 105 F CB -0.871 38.195 39.000 0.110 0.000 0.991 105 F HN -0.249 nan 8.300 nan 0.000 0.474 106 L N 0.245 121.591 121.223 0.205 0.000 2.017 106 L HA -0.200 4.143 4.340 0.005 0.000 0.208 106 L C 2.526 179.426 176.870 0.050 0.000 1.073 106 L CA 1.649 56.568 54.840 0.131 0.000 0.745 106 L CB -1.252 40.844 42.059 0.062 0.000 0.894 106 L HN -0.006 nan 8.230 nan 0.000 0.432 107 R N -0.877 119.611 120.500 -0.020 0.000 2.080 107 R HA -0.138 4.206 4.340 0.005 0.000 0.236 107 R C 2.274 178.501 176.300 -0.122 0.000 1.137 107 R CA 1.965 58.027 56.100 -0.063 0.000 0.943 107 R CB -1.090 29.173 30.300 -0.062 0.000 0.846 107 R HN 0.352 nan 8.270 nan 0.000 0.431 108 T N 0.128 114.559 114.554 -0.204 0.000 2.635 108 T HA -0.160 4.193 4.350 0.005 0.000 0.267 108 T C 1.096 175.542 174.700 -0.423 0.000 1.040 108 T CA 1.692 63.574 62.100 -0.362 0.000 1.156 108 T CB -0.339 68.173 68.868 -0.592 0.000 0.863 108 T HN 0.366 nan 8.240 nan 0.000 0.430 109 H N 0.191 119.177 119.070 -0.139 0.000 2.536 109 H HA 0.357 4.916 4.556 0.006 0.000 0.276 109 H C 1.744 176.960 175.328 -0.188 0.000 1.019 109 H CA 0.352 56.336 56.048 -0.107 0.000 1.159 109 H CB -0.383 29.357 29.762 -0.037 0.000 1.373 109 H HN 0.547 nan 8.280 nan 0.000 0.584 110 G N 0.999 109.746 108.800 -0.089 0.000 2.221 110 G HA2 -0.284 3.679 3.960 0.005 0.000 0.265 110 G HA3 -0.284 3.679 3.960 0.005 0.000 0.265 110 G C -0.236 174.516 174.900 -0.247 0.000 1.041 110 G CA -0.077 44.922 45.100 -0.168 0.000 0.807 110 G HN 0.229 nan 8.290 nan 0.000 0.502 111 F N -0.237 119.648 119.950 -0.108 0.000 2.378 111 F HA 0.453 4.983 4.527 0.005 0.000 0.325 111 F C 1.358 177.104 175.800 -0.090 0.000 1.097 111 F CA -0.529 57.412 58.000 -0.100 0.000 1.079 111 F CB 0.983 39.923 39.000 -0.101 0.000 1.240 111 F HN 0.011 nan 8.300 nan 0.000 0.519 112 D N 0.496 120.987 120.400 0.152 0.000 2.379 112 D HA 0.252 4.896 4.640 0.005 0.000 0.208 112 D C 0.662 176.984 176.300 0.037 0.000 1.065 112 D CA 0.463 54.492 54.000 0.049 0.000 0.848 112 D CB 0.930 41.747 40.800 0.028 0.000 0.949 112 D HN 0.641 nan 8.370 nan 0.000 0.509 113 G N 0.559 109.410 108.800 0.084 0.000 2.441 113 G HA2 0.423 4.387 3.960 0.005 0.000 0.294 113 G HA3 0.423 4.387 3.960 0.005 0.000 0.294 113 G C -2.289 172.658 174.900 0.077 0.000 1.393 113 G CA -0.752 44.377 45.100 0.048 0.000 0.796 113 G HN 0.054 nan 8.290 nan 0.000 0.494 114 L N 0.019 121.335 121.223 0.154 0.000 2.362 114 L HA 0.865 5.208 4.340 0.005 0.000 0.271 114 L C -1.358 175.592 176.870 0.134 0.000 1.002 114 L CA -0.625 54.307 54.840 0.155 0.000 0.818 114 L CB 2.315 44.534 42.059 0.266 0.000 1.298 114 L HN 0.582 nan 8.230 nan 0.000 0.420 115 D N 3.378 123.854 120.400 0.127 0.000 2.391 115 D HA 0.409 5.052 4.640 0.005 0.000 0.245 115 D C -1.260 175.151 176.300 0.186 0.000 1.069 115 D CA -0.128 53.949 54.000 0.129 0.000 0.831 115 D CB 1.220 42.120 40.800 0.167 0.000 1.204 115 D HN 0.565 nan 8.370 nan 0.000 0.503 116 L N 3.153 124.468 121.223 0.152 0.000 2.261 116 L HA 0.571 4.914 4.340 0.005 0.000 0.289 116 L C 0.214 177.162 176.870 0.129 0.000 1.059 116 L CA -0.667 54.267 54.840 0.156 0.000 0.816 116 L CB 1.373 43.506 42.059 0.124 0.000 1.191 116 L HN 0.569 nan 8.230 nan 0.000 0.431 117 A N 4.331 127.213 122.820 0.104 0.000 3.215 117 A HA 0.153 4.476 4.320 0.005 0.000 0.320 117 A C -0.749 176.763 177.584 -0.119 0.000 1.084 117 A CA -0.460 51.597 52.037 0.033 0.000 0.969 117 A CB -0.130 18.939 19.000 0.115 0.000 1.064 117 A HN 0.715 nan 8.150 nan 0.000 0.513 118 W N 3.000 124.066 121.300 -0.391 0.000 2.507 118 W HA 0.477 5.140 4.660 0.005 0.000 0.334 118 W C -1.308 175.105 176.519 -0.177 0.000 1.165 118 W CA -0.833 56.175 57.345 -0.562 0.000 1.460 118 W CB 0.144 29.120 29.460 -0.806 0.000 1.404 118 W HN 0.361 nan 8.180 nan 0.000 0.435 119 L N 7.826 129.163 121.223 0.189 0.000 2.324 119 L HA 0.410 4.754 4.340 0.005 0.000 0.274 119 L C -0.674 176.168 176.870 -0.047 0.000 1.012 119 L CA -0.425 54.420 54.840 0.009 0.000 0.859 119 L CB 0.164 41.853 42.059 -0.617 0.000 1.224 119 L HN 0.317 nan 8.230 nan 0.000 0.429 120 W N 3.172 124.524 121.300 0.087 0.000 2.950 120 W HA 0.503 5.166 4.660 0.005 0.000 0.340 120 W C -2.493 173.831 176.519 -0.326 0.000 1.139 120 W CA -2.305 54.990 57.345 -0.083 0.000 1.188 120 W CB 1.837 31.281 29.460 -0.027 0.000 1.426 120 W HN 0.157 nan 8.180 nan 0.000 0.531 121 P HA 0.198 nan 4.420 nan 0.000 0.279 121 P C 0.267 177.369 177.300 -0.330 0.000 1.239 121 P CA -0.011 62.619 63.100 -0.782 0.000 0.789 121 P CB 0.764 31.680 31.700 -1.307 0.000 0.933 122 G N 2.074 110.747 108.800 -0.212 0.000 2.588 122 G HA2 0.106 4.070 3.960 0.005 0.000 0.281 122 G HA3 0.106 4.070 3.960 0.005 0.000 0.281 122 G C 0.746 175.549 174.900 -0.161 0.000 1.236 122 G CA -0.682 44.335 45.100 -0.137 0.000 0.969 122 G HN 0.688 nan 8.290 nan 0.000 0.504 123 W N -0.477 120.770 121.300 -0.088 0.000 2.425 123 W HA -0.034 4.629 4.660 0.005 0.000 0.277 123 W C 1.539 177.994 176.519 -0.107 0.000 1.231 123 W CA 0.355 57.641 57.345 -0.099 0.000 1.248 123 W CB -0.392 29.029 29.460 -0.065 0.000 1.117 123 W HN 0.439 nan 8.180 nan 0.000 0.568 124 R N 0.732 120.822 120.500 -0.684 0.000 2.189 124 R HA -0.065 4.279 4.340 0.005 0.000 0.218 124 R C 1.450 177.551 176.300 -0.331 0.000 1.074 124 R CA 1.286 57.037 56.100 -0.582 0.000 0.991 124 R CB -0.250 29.617 30.300 -0.722 0.000 0.883 124 R HN 0.187 nan 8.270 nan 0.000 0.457 125 D N 0.596 120.832 120.400 -0.274 0.000 2.305 125 D HA -0.080 4.563 4.640 0.005 0.000 0.206 125 D C 1.591 177.699 176.300 -0.320 0.000 0.974 125 D CA 0.419 54.289 54.000 -0.216 0.000 0.871 125 D CB 0.129 40.787 40.800 -0.236 0.000 0.947 125 D HN 0.154 nan 8.370 nan 0.000 0.516 126 K N 1.591 121.797 120.400 -0.322 0.000 2.052 126 K HA -0.228 4.095 4.320 0.005 0.000 0.215 126 K C 2.114 178.581 176.600 -0.222 0.000 1.053 126 K CA 1.198 57.309 56.287 -0.294 0.000 0.934 126 K CB 0.047 32.437 32.500 -0.184 0.000 0.717 126 K HN -0.061 nan 8.250 nan 0.000 0.450 127 R N -0.412 119.941 120.500 -0.244 0.000 2.120 127 R HA -0.137 4.206 4.340 0.005 0.000 0.234 127 R C 1.935 178.168 176.300 -0.112 0.000 1.123 127 R CA 1.517 57.494 56.100 -0.204 0.000 0.975 127 R CB -0.181 29.948 30.300 -0.285 0.000 0.866 127 R HN 0.463 nan 8.270 nan 0.000 0.446 128 H N -0.010 119.058 119.070 -0.002 0.000 2.512 128 H HA -0.033 4.526 4.556 0.005 0.000 0.279 128 H C 1.950 177.347 175.328 0.114 0.000 0.999 128 H CA 0.438 56.528 56.048 0.071 0.000 1.283 128 H CB -0.046 29.796 29.762 0.133 0.000 1.421 128 H HN 0.189 nan 8.280 nan 0.000 0.554 129 L N 0.419 121.706 121.223 0.107 0.000 2.044 129 L HA -0.144 4.200 4.340 0.005 0.000 0.205 129 L C 1.960 178.876 176.870 0.077 0.000 1.075 129 L CA 1.392 56.276 54.840 0.075 0.000 0.747 129 L CB -0.378 41.529 42.059 -0.254 0.000 0.903 129 L HN 0.197 nan 8.230 nan 0.000 0.435 130 T N -0.695 113.876 114.554 0.028 0.000 2.737 130 T HA -0.206 4.147 4.350 0.005 0.000 0.269 130 T C 1.703 176.445 174.700 0.069 0.000 1.040 130 T CA 2.041 64.174 62.100 0.055 0.000 1.142 130 T CB -0.398 68.491 68.868 0.036 0.000 0.861 130 T HN 0.433 nan 8.240 nan 0.000 0.456 131 T N 2.145 116.751 114.554 0.086 0.000 2.737 131 T HA 0.001 4.354 4.350 0.005 0.000 0.265 131 T C 1.885 176.621 174.700 0.060 0.000 1.038 131 T CA 0.757 62.903 62.100 0.075 0.000 1.144 131 T CB -0.472 68.469 68.868 0.122 0.000 0.866 131 T HN 0.123 nan 8.240 nan 0.000 0.434 132 L N 1.662 122.953 121.223 0.114 0.000 1.989 132 L HA -0.062 4.281 4.340 0.005 0.000 0.211 132 L C 2.473 179.370 176.870 0.045 0.000 1.071 132 L CA 1.635 56.549 54.840 0.123 0.000 0.749 132 L CB -0.960 41.238 42.059 0.231 0.000 0.890 132 L HN 0.086 nan 8.230 nan 0.000 0.431 133 V N -0.276 119.666 119.914 0.047 0.000 2.332 133 V HA -0.335 3.789 4.120 0.005 0.000 0.248 133 V C 2.669 178.681 176.094 -0.138 0.000 1.055 133 V CA 2.194 64.490 62.300 -0.007 0.000 1.038 133 V CB -0.740 31.123 31.823 0.067 0.000 0.651 133 V HN 0.488 nan 8.190 nan 0.000 0.450 134 K N -0.080 120.209 120.400 -0.186 0.000 1.985 134 K HA -0.190 4.133 4.320 0.005 0.000 0.210 134 K C 2.223 178.633 176.600 -0.316 0.000 1.047 134 K CA 1.836 57.853 56.287 -0.450 0.000 0.932 134 K CB -0.145 32.201 32.500 -0.257 0.000 0.716 134 K HN 0.539 nan 8.250 nan 0.000 0.439 135 E N -0.004 120.094 120.200 -0.170 0.000 2.150 135 E HA -0.209 4.145 4.350 0.005 0.000 0.193 135 E C 1.891 178.383 176.600 -0.181 0.000 0.985 135 E CA 1.124 57.445 56.400 -0.133 0.000 0.814 135 E CB -0.036 29.625 29.700 -0.064 0.000 0.752 135 E HN 0.227 nan 8.360 nan 0.000 0.466 136 M N 1.229 120.689 119.600 -0.234 0.000 2.175 136 M HA -0.141 4.343 4.480 0.005 0.000 0.264 136 M C 1.983 177.909 176.300 -0.624 0.000 1.063 136 M CA 1.567 56.614 55.300 -0.422 0.000 1.119 136 M CB 0.094 32.453 32.600 -0.402 0.000 1.377 136 M HN -0.215 nan 8.290 nan 0.000 0.415 137 K N 0.294 120.449 120.400 -0.407 0.000 2.103 137 K HA 0.119 4.442 4.320 0.005 0.000 0.204 137 K C 1.779 178.309 176.600 -0.118 0.000 1.052 137 K CA 1.672 57.804 56.287 -0.258 0.000 0.945 137 K CB -0.766 31.657 32.500 -0.128 0.000 0.722 137 K HN 0.352 nan 8.250 nan 0.000 0.443 138 A N 0.576 123.311 122.820 -0.142 0.000 1.940 138 A HA -0.179 4.144 4.320 0.005 0.000 0.219 138 A C 2.134 179.712 177.584 -0.010 0.000 1.176 138 A CA 2.034 54.034 52.037 -0.062 0.000 0.631 138 A CB -0.665 18.288 19.000 -0.079 0.000 0.814 138 A HN 0.498 nan 8.150 nan 0.000 0.446 139 E N -0.845 119.331 120.200 -0.039 0.000 2.106 139 E HA -0.105 4.249 4.350 0.005 0.000 0.192 139 E C 1.542 178.276 176.600 0.223 0.000 0.984 139 E CA 1.031 57.459 56.400 0.045 0.000 0.806 139 E CB -0.365 29.335 29.700 -0.000 0.000 0.750 139 E HN 0.493 nan 8.360 nan 0.000 0.458 140 F N -0.142 119.798 119.950 -0.016 0.000 2.186 140 F HA -0.075 4.455 4.527 0.005 0.000 0.299 140 F C 2.264 178.066 175.800 0.004 0.000 1.090 140 F CA 0.577 58.574 58.000 -0.004 0.000 1.307 140 F CB -0.912 38.090 39.000 0.002 0.000 1.019 140 F HN -0.016 nan 8.300 nan 0.000 0.489 141 V N -0.319 119.717 119.914 0.204 0.000 2.453 141 V HA -0.222 3.901 4.120 0.005 0.000 0.247 141 V C 2.524 178.667 176.094 0.081 0.000 1.048 141 V CA 1.624 63.994 62.300 0.116 0.000 1.049 141 V CB -0.557 31.317 31.823 0.085 0.000 0.672 141 V HN 0.140 nan 8.190 nan 0.000 0.457 142 R N -0.093 120.453 120.500 0.077 0.000 2.115 142 R HA -0.125 4.218 4.340 0.005 0.000 0.230 142 R C 2.363 178.693 176.300 0.049 0.000 1.111 142 R CA 1.196 57.328 56.100 0.053 0.000 0.976 142 R CB -0.170 30.157 30.300 0.044 0.000 0.870 142 R HN 0.477 nan 8.270 nan 0.000 0.445 143 E N 0.033 120.272 120.200 0.064 0.000 2.208 143 E HA -0.106 4.247 4.350 0.005 0.000 0.193 143 E C 1.400 178.011 176.600 0.018 0.000 0.988 143 E CA 1.041 57.465 56.400 0.039 0.000 0.828 143 E CB 0.092 29.817 29.700 0.042 0.000 0.763 143 E HN 0.422 nan 8.360 nan 0.000 0.478 144 A N 0.726 123.561 122.820 0.025 0.000 2.121 144 A HA -0.141 4.182 4.320 0.005 0.000 0.218 144 A C 1.938 179.530 177.584 0.013 0.000 1.154 144 A CA 0.759 52.804 52.037 0.013 0.000 0.679 144 A CB -0.326 18.689 19.000 0.024 0.000 0.795 144 A HN 0.268 nan 8.150 nan 0.000 0.458 145 Q N -0.611 119.200 119.800 0.018 0.000 2.291 145 Q HA -0.025 4.318 4.340 0.005 0.000 0.205 145 Q C 1.901 177.906 176.000 0.008 0.000 0.970 145 Q CA 0.932 56.744 55.803 0.015 0.000 0.876 145 Q CB -0.303 28.445 28.738 0.017 0.000 0.935 145 Q HN 0.676 nan 8.270 nan 0.000 0.455 146 A N 0.198 123.021 122.820 0.005 0.000 2.252 146 A HA 0.255 4.578 4.320 0.005 0.000 0.207 146 A C 1.368 178.949 177.584 -0.004 0.000 1.194 146 A CA 0.718 52.755 52.037 0.000 0.000 0.809 146 A CB -0.517 18.482 19.000 -0.002 0.000 0.814 146 A HN 0.439 nan 8.150 nan 0.000 0.482 147 G N -0.816 107.982 108.800 -0.003 0.000 2.137 147 G HA2 -0.195 3.769 3.960 0.005 0.000 0.237 147 G HA3 -0.195 3.769 3.960 0.005 0.000 0.237 147 G C 0.298 175.192 174.900 -0.011 0.000 1.002 147 G CA 0.679 45.776 45.100 -0.005 0.000 0.702 147 G HN 1.444 nan 8.290 nan 0.000 0.515 148 T N -2.572 111.974 114.554 -0.014 0.000 2.942 148 T HA 0.686 5.039 4.350 0.005 0.000 0.289 148 T C -0.099 174.588 174.700 -0.022 0.000 1.044 148 T CA -0.337 61.749 62.100 -0.023 0.000 1.023 148 T CB 2.625 71.473 68.868 -0.033 0.000 1.123 148 T HN 0.356 nan 8.240 nan 0.000 0.512 149 E N 1.002 121.187 120.200 -0.026 0.000 2.366 149 E HA 0.048 4.402 4.350 0.005 0.000 0.266 149 E C 0.168 176.749 176.600 -0.031 0.000 1.015 149 E CA -0.203 56.185 56.400 -0.020 0.000 0.906 149 E CB 0.479 30.167 29.700 -0.021 0.000 0.979 149 E HN 0.566 nan 8.360 nan 0.000 0.443 150 Q N 3.700 123.493 119.800 -0.011 0.000 2.304 150 Q HA -0.016 4.327 4.340 0.005 0.000 0.301 150 Q C -0.472 175.497 176.000 -0.051 0.000 1.063 150 Q CA -0.006 55.788 55.803 -0.014 0.000 0.947 150 Q CB 0.508 29.270 28.738 0.039 0.000 1.201 150 Q HN 0.574 nan 8.270 nan 0.000 0.389 151 L N 3.898 125.015 121.223 -0.178 0.000 2.452 151 L HA 0.140 4.483 4.340 0.005 0.000 0.267 151 L C 0.107 176.947 176.870 -0.050 0.000 1.188 151 L CA -0.207 54.457 54.840 -0.294 0.000 0.821 151 L CB 0.240 41.746 42.059 -0.921 0.000 1.102 151 L HN 0.568 nan 8.230 nan 0.000 0.470 152 L N 2.426 123.674 121.223 0.042 0.000 2.399 152 L HA 0.481 4.824 4.340 0.005 0.000 0.265 152 L C -0.574 176.445 176.870 0.248 0.000 1.089 152 L CA -0.545 54.396 54.840 0.168 0.000 0.802 152 L CB 1.391 43.575 42.059 0.208 0.000 1.180 152 L HN 0.361 nan 8.230 nan 0.000 0.454 153 L N 1.717 123.051 121.223 0.185 0.000 2.482 153 L HA 0.523 4.867 4.340 0.005 0.000 0.269 153 L C -0.444 176.363 176.870 -0.105 0.000 0.967 153 L CA 0.138 55.061 54.840 0.140 0.000 0.851 153 L CB 1.738 43.878 42.059 0.135 0.000 1.242 153 L HN 0.707 nan 8.230 nan 0.000 0.404 154 S N 3.306 118.879 115.700 -0.212 0.000 2.709 154 S HA 1.050 5.523 4.470 0.005 0.000 0.302 154 S C -0.604 173.896 174.600 -0.167 0.000 1.127 154 S CA -0.303 57.629 58.200 -0.447 0.000 0.905 154 S CB 1.935 64.483 63.200 -1.087 0.000 1.151 154 S HN 1.175 nan 8.310 nan 0.000 0.510 155 A N -0.020 122.728 122.820 -0.120 0.000 2.515 155 A HA 0.881 5.204 4.320 0.005 0.000 0.298 155 A C -0.576 177.051 177.584 0.071 0.000 1.059 155 A CA -0.613 51.437 52.037 0.023 0.000 0.698 155 A CB 1.283 20.309 19.000 0.044 0.000 1.289 155 A HN 1.694 nan 8.150 nan 0.000 0.404 156 A N 1.225 124.114 122.820 0.115 0.000 2.252 156 A HA 0.628 4.951 4.320 0.005 0.000 0.309 156 A C -0.651 176.947 177.584 0.023 0.000 1.285 156 A CA -0.345 51.759 52.037 0.111 0.000 0.900 156 A CB 0.241 19.319 19.000 0.131 0.000 1.157 156 A HN 1.209 nan 8.150 nan 0.000 0.536 157 V N 2.828 122.692 119.914 -0.083 0.000 2.448 157 V HA 0.409 4.532 4.120 0.005 0.000 0.295 157 V C 0.883 176.768 176.094 -0.348 0.000 1.025 157 V CA -0.280 61.817 62.300 -0.338 0.000 0.859 157 V CB 1.719 33.272 31.823 -0.450 0.000 0.988 157 V HN 1.057 nan 8.190 nan 0.000 0.431 158 T N 3.305 117.581 114.554 -0.464 0.000 2.855 158 T HA 0.293 4.646 4.350 0.005 0.000 0.322 158 T C 1.012 175.456 174.700 -0.427 0.000 1.088 158 T CA 0.567 62.356 62.100 -0.519 0.000 1.104 158 T CB 1.194 69.412 68.868 -1.083 0.000 0.996 158 T HN 0.970 nan 8.240 nan 0.000 0.549 159 A N 2.570 125.184 122.820 -0.344 0.000 2.390 159 A HA 0.536 4.859 4.320 0.005 0.000 0.232 159 A C 1.237 178.814 177.584 -0.011 0.000 1.233 159 A CA 0.222 52.160 52.037 -0.165 0.000 0.907 159 A CB -0.213 18.698 19.000 -0.148 0.000 0.967 159 A HN 1.088 nan 8.150 nan 0.000 0.512 160 G N -0.103 108.637 108.800 -0.100 0.000 2.364 160 G HA2 0.312 4.275 3.960 0.005 0.000 0.267 160 G HA3 0.312 4.275 3.960 0.005 0.000 0.267 160 G C 0.739 175.640 174.900 0.001 0.000 1.233 160 G CA -0.221 44.905 45.100 0.044 0.000 0.885 160 G HN 0.257 nan 8.290 nan 0.000 0.490 161 K N 2.173 122.599 120.400 0.044 0.000 2.059 161 K HA -0.174 4.149 4.320 0.005 0.000 0.212 161 K C 2.195 178.761 176.600 -0.057 0.000 1.050 161 K CA 1.377 57.618 56.287 -0.076 0.000 0.927 161 K CB -0.154 32.140 32.500 -0.343 0.000 0.714 161 K HN 0.651 nan 8.250 nan 0.000 0.447 162 I N 0.561 121.101 120.570 -0.051 0.000 2.361 162 I HA -0.244 3.930 4.170 0.005 0.000 0.251 162 I C 2.436 178.527 176.117 -0.044 0.000 1.133 162 I CA 0.995 62.273 61.300 -0.037 0.000 1.413 162 I CB -0.291 37.699 38.000 -0.017 0.000 1.073 162 I HN 0.228 nan 8.210 nan 0.000 0.424 163 A N 0.985 123.744 122.820 -0.101 0.000 1.898 163 A HA -0.141 4.182 4.320 0.005 0.000 0.216 163 A C 2.282 179.822 177.584 -0.072 0.000 1.181 163 A CA 1.326 53.249 52.037 -0.190 0.000 0.620 163 A CB -0.634 18.091 19.000 -0.457 0.000 0.819 163 A HN 0.342 nan 8.150 nan 0.000 0.442 164 I N -0.184 120.362 120.570 -0.040 0.000 2.163 164 I HA -0.221 3.952 4.170 0.005 0.000 0.240 164 I C 1.869 178.064 176.117 0.130 0.000 1.081 164 I CA 1.500 62.830 61.300 0.050 0.000 1.353 164 I CB -0.390 37.629 38.000 0.032 0.000 1.054 164 I HN 0.239 nan 8.210 nan 0.000 0.407 165 D N 0.376 120.834 120.400 0.096 0.000 2.144 165 D HA -0.175 4.468 4.640 0.005 0.000 0.199 165 D C 2.222 178.549 176.300 0.045 0.000 0.984 165 D CA 0.964 55.008 54.000 0.075 0.000 0.834 165 D CB -0.252 40.588 40.800 0.067 0.000 0.955 165 D HN 0.227 nan 8.370 nan 0.000 0.465 166 R N -0.106 120.418 120.500 0.040 0.000 2.070 166 R HA -0.068 4.275 4.340 0.005 0.000 0.233 166 R C 1.751 178.049 176.300 -0.004 0.000 1.137 166 R CA 1.602 57.729 56.100 0.046 0.000 0.945 166 R CB -0.165 30.165 30.300 0.050 0.000 0.845 166 R HN 0.189 nan 8.270 nan 0.000 0.430 167 G N -1.756 106.991 108.800 -0.089 0.000 3.441 167 G HA2 0.142 4.105 3.960 0.005 0.000 0.263 167 G HA3 0.142 4.105 3.960 0.005 0.000 0.263 167 G C -0.686 173.861 174.900 -0.588 0.000 1.014 167 G CA -0.283 44.596 45.100 -0.367 0.000 0.833 167 G HN 0.127 nan 8.290 nan 0.000 0.514 168 Y N 0.152 120.366 120.300 -0.144 0.000 2.391 168 Y HA 0.394 4.947 4.550 0.005 0.000 0.341 168 Y C -0.776 175.064 175.900 -0.101 0.000 0.965 168 Y CA -1.341 56.678 58.100 -0.135 0.000 1.067 168 Y CB 2.294 40.673 38.460 -0.135 0.000 1.199 168 Y HN -0.098 nan 8.280 nan 0.000 0.450 169 D N 4.264 124.683 120.400 0.031 0.000 2.639 169 D HA 0.150 4.793 4.640 0.005 0.000 0.233 169 D C 1.136 177.443 176.300 0.012 0.000 1.161 169 D CA 0.162 54.164 54.000 0.002 0.000 1.003 169 D CB 0.218 41.009 40.800 -0.015 0.000 1.034 169 D HN 0.474 nan 8.370 nan 0.000 0.514 170 I N 1.519 122.090 120.570 0.002 0.000 2.113 170 I HA -0.326 3.847 4.170 0.005 0.000 0.242 170 I C 2.342 178.432 176.117 -0.046 0.000 1.064 170 I CA 1.104 62.386 61.300 -0.029 0.000 1.320 170 I CB -1.357 36.592 38.000 -0.085 0.000 1.028 170 I HN 0.287 nan 8.210 nan 0.000 0.406 171 A N -0.014 122.769 122.820 -0.061 0.000 1.940 171 A HA -0.235 4.088 4.320 0.005 0.000 0.219 171 A C 2.259 179.806 177.584 -0.062 0.000 1.176 171 A CA 1.509 53.507 52.037 -0.065 0.000 0.631 171 A CB -0.466 18.494 19.000 -0.066 0.000 0.814 171 A HN 0.500 nan 8.150 nan 0.000 0.446 172 Q N -0.384 119.390 119.800 -0.043 0.000 2.033 172 Q HA -0.082 4.261 4.340 0.005 0.000 0.196 172 Q C 2.262 178.237 176.000 -0.041 0.000 0.970 172 Q CA 1.625 57.405 55.803 -0.038 0.000 0.828 172 Q CB -0.457 28.286 28.738 0.008 0.000 0.895 172 Q HN 0.945 nan 8.270 nan 0.000 0.440 173 I N -1.667 118.914 120.570 0.018 0.000 2.830 173 I HA -0.072 4.101 4.170 0.005 0.000 0.263 173 I C 1.722 177.845 176.117 0.010 0.000 1.230 173 I CA 0.807 62.145 61.300 0.062 0.000 1.480 173 I CB -0.198 37.853 38.000 0.086 0.000 1.095 173 I HN -0.146 nan 8.210 nan 0.000 0.455 174 S N 1.846 117.524 115.700 -0.036 0.000 2.423 174 S HA -0.020 4.453 4.470 0.005 0.000 0.231 174 S C 1.921 176.479 174.600 -0.071 0.000 1.014 174 S CA 1.011 59.189 58.200 -0.037 0.000 0.965 174 S CB -0.309 62.867 63.200 -0.040 0.000 0.785 174 S HN 0.604 nan 8.310 nan 0.000 0.495 175 R N 0.337 120.729 120.500 -0.180 0.000 2.276 175 R HA 0.104 4.447 4.340 0.005 0.000 0.203 175 R C 1.238 177.392 176.300 -0.243 0.000 1.017 175 R CA 0.816 56.772 56.100 -0.240 0.000 1.010 175 R CB -0.278 29.809 30.300 -0.355 0.000 0.900 175 R HN 0.466 nan 8.270 nan 0.000 0.469 176 H N 0.207 119.284 119.070 0.012 0.000 2.604 176 H HA 0.246 4.806 4.556 0.005 0.000 0.273 176 H C 0.899 176.234 175.328 0.011 0.000 0.971 176 H CA 0.054 56.107 56.048 0.009 0.000 1.249 176 H CB 0.357 30.117 29.762 -0.003 0.000 1.449 176 H HN 0.002 nan 8.280 nan 0.000 0.512 177 L N 0.966 122.253 121.223 0.108 0.000 2.439 177 L HA 0.103 4.446 4.340 0.005 0.000 0.259 177 L C 1.216 178.119 176.870 0.056 0.000 1.129 177 L CA -0.265 54.605 54.840 0.050 0.000 0.803 177 L CB 0.926 42.989 42.059 0.007 0.000 1.161 177 L HN -0.019 nan 8.230 nan 0.000 0.462 178 D N 0.108 120.527 120.400 0.031 0.000 2.301 178 D HA 0.124 4.767 4.640 0.005 0.000 0.206 178 D C -0.371 176.090 176.300 0.268 0.000 0.979 178 D CA 1.012 55.096 54.000 0.140 0.000 0.874 178 D CB 0.647 41.560 40.800 0.189 0.000 0.968 178 D HN 0.318 nan 8.370 nan 0.000 0.510 179 F N -1.009 118.973 119.950 0.052 0.000 2.744 179 F HA 0.475 5.005 4.527 0.005 0.000 0.311 179 F C -1.814 174.013 175.800 0.045 0.000 1.144 179 F CA -1.369 56.651 58.000 0.033 0.000 0.938 179 F CB 0.783 39.783 39.000 0.001 0.000 1.292 179 F HN -0.391 nan 8.300 nan 0.000 0.444 180 I N 2.228 122.939 120.570 0.235 0.000 2.433 180 I HA 0.498 4.671 4.170 0.005 0.000 0.292 180 I C -0.775 175.470 176.117 0.213 0.000 1.001 180 I CA -0.898 60.481 61.300 0.132 0.000 1.119 180 I CB 2.352 40.387 38.000 0.058 0.000 1.289 180 I HN 0.677 nan 8.210 nan 0.000 0.438 181 S N 6.971 122.797 115.700 0.210 0.000 2.442 181 S HA 0.536 5.009 4.470 0.005 0.000 0.297 181 S C -0.347 174.320 174.600 0.112 0.000 1.131 181 S CA -0.715 57.621 58.200 0.226 0.000 1.092 181 S CB 1.292 64.698 63.200 0.344 0.000 0.998 181 S HN 0.404 nan 8.310 nan 0.000 0.478 182 L N 3.536 124.808 121.223 0.081 0.000 2.260 182 L HA 0.304 4.647 4.340 0.005 0.000 0.289 182 L C 0.003 176.836 176.870 -0.061 0.000 1.057 182 L CA -0.480 54.355 54.840 -0.007 0.000 0.811 182 L CB 0.575 42.644 42.059 0.017 0.000 1.184 182 L HN 0.594 nan 8.230 nan 0.000 0.429 183 L N 4.466 125.565 121.223 -0.206 0.000 2.544 183 L HA 0.031 4.374 4.340 0.005 0.000 0.240 183 L C 0.888 177.367 176.870 -0.652 0.000 1.421 183 L CA -0.105 54.415 54.840 -0.534 0.000 1.206 183 L CB -0.846 40.951 42.059 -0.437 0.000 1.463 183 L HN 0.678 nan 8.230 nan 0.000 0.437 184 T N -2.606 111.729 114.554 -0.365 0.000 3.792 184 T HA 0.065 4.418 4.350 0.005 0.000 0.233 184 T C 0.396 175.054 174.700 -0.070 0.000 0.860 184 T CA -0.211 61.782 62.100 -0.179 0.000 0.915 184 T CB -0.859 68.087 68.868 0.129 0.000 1.216 184 T HN 0.524 nan 8.240 nan 0.000 0.664 185 Y N -2.273 118.022 120.300 -0.009 0.000 2.830 185 Y HA 0.585 5.138 4.550 0.005 0.000 0.255 185 Y C -0.073 175.989 175.900 0.271 0.000 1.130 185 Y CA -1.765 56.462 58.100 0.211 0.000 1.217 185 Y CB -0.183 38.454 38.460 0.295 0.000 1.296 185 Y HN 0.239 nan 8.280 nan 0.000 0.571 186 D N 0.119 120.507 120.400 -0.021 0.000 2.957 186 D HA 0.284 4.927 4.640 0.005 0.000 0.352 186 D C -0.039 176.344 176.300 0.139 0.000 1.352 186 D CA -0.208 53.915 54.000 0.205 0.000 0.831 186 D CB -0.373 40.570 40.800 0.239 0.000 1.147 186 D HN 0.185 nan 8.370 nan 0.000 0.467 187 F N -0.008 120.187 119.950 0.408 0.000 2.789 187 F HA 0.230 4.760 4.527 0.005 0.000 0.300 187 F C 1.114 177.147 175.800 0.389 0.000 1.132 187 F CA 0.352 58.552 58.000 0.333 0.000 1.404 187 F CB 0.097 39.236 39.000 0.232 0.000 1.114 187 F HN 0.203 nan 8.300 nan 0.000 0.584 188 H N -1.393 117.941 119.070 0.441 0.000 3.017 188 H HA 0.634 5.193 4.556 0.005 0.000 0.346 188 H C -0.609 174.630 175.328 -0.149 0.000 1.286 188 H CA -0.087 56.076 56.048 0.192 0.000 1.120 188 H CB 1.923 31.787 29.762 0.169 0.000 1.860 188 H HN 0.091 nan 8.280 nan 0.000 0.542 189 G N -0.610 107.791 108.800 -0.665 0.000 2.506 189 G HA2 0.431 4.394 3.960 0.005 0.000 0.292 189 G HA3 0.431 4.394 3.960 0.005 0.000 0.292 189 G C 0.087 174.488 174.900 -0.831 0.000 1.425 189 G CA 0.007 44.418 45.100 -1.148 0.000 0.788 189 G HN 0.616 nan 8.290 nan 0.000 0.490 190 A N -0.775 121.859 122.820 -0.311 0.000 2.070 190 A HA 0.027 4.350 4.320 0.005 0.000 0.220 190 A C 1.867 179.389 177.584 -0.104 0.000 1.159 190 A CA 2.095 54.124 52.037 -0.013 0.000 0.656 190 A CB -0.963 18.106 19.000 0.115 0.000 0.800 190 A HN 1.404 nan 8.150 nan 0.000 0.453 191 W N -0.537 120.801 121.300 0.064 0.000 2.747 191 W HA 0.148 4.812 4.660 0.006 0.000 0.244 191 W C 0.469 176.966 176.519 -0.036 0.000 1.270 191 W CA 0.061 57.413 57.345 0.011 0.000 1.333 191 W CB -0.291 29.178 29.460 0.015 0.000 1.139 191 W HN 0.038 nan 8.180 nan 0.000 0.662 192 R N 1.769 122.189 120.500 -0.134 0.000 2.388 192 R HA 0.131 4.474 4.340 0.005 0.000 0.314 192 R C 0.781 177.003 176.300 -0.131 0.000 0.959 192 R CA -0.522 55.514 56.100 -0.108 0.000 0.851 192 R CB 1.017 31.119 30.300 -0.330 0.000 1.168 192 R HN 0.183 nan 8.270 nan 0.000 0.472 193 Q N 1.293 121.052 119.800 -0.068 0.000 2.486 193 Q HA -0.044 4.300 4.340 0.005 0.000 0.211 193 Q C 0.153 176.076 176.000 -0.127 0.000 0.949 193 Q CA 0.615 56.370 55.803 -0.079 0.000 0.998 193 Q CB -0.239 28.473 28.738 -0.042 0.000 1.004 193 Q HN 0.580 nan 8.270 nan 0.000 0.531 194 T N -4.644 109.809 114.554 -0.167 0.000 2.883 194 T HA 0.459 4.813 4.350 0.005 0.000 0.296 194 T C -0.215 174.248 174.700 -0.395 0.000 1.117 194 T CA -0.826 61.136 62.100 -0.231 0.000 1.006 194 T CB 1.760 70.533 68.868 -0.157 0.000 1.191 194 T HN -0.104 nan 8.240 nan 0.000 0.508 195 V N 1.093 120.627 119.914 -0.634 0.000 2.614 195 V HA 0.685 4.809 4.120 0.005 0.000 0.291 195 V C 0.843 176.333 176.094 -1.006 0.000 1.049 195 V CA 1.206 62.829 62.300 -1.129 0.000 1.038 195 V CB 0.796 31.697 31.823 -1.537 0.000 0.980 195 V HN 1.404 nan 8.190 nan 0.000 0.481 196 G N 3.440 111.543 108.800 -1.163 0.000 2.519 196 G HA2 0.290 4.253 3.960 0.005 0.000 0.292 196 G HA3 0.290 4.253 3.960 0.005 0.000 0.292 196 G C -1.663 173.001 174.900 -0.392 0.000 1.507 196 G CA -0.704 43.851 45.100 -0.909 0.000 0.806 196 G HN 0.660 nan 8.290 nan 0.000 0.523 197 H N 0.069 119.095 119.070 -0.074 0.000 2.548 197 H HA 0.260 4.820 4.556 0.006 0.000 0.331 197 H C 1.334 176.747 175.328 0.142 0.000 1.093 197 H CA 0.371 56.488 56.048 0.116 0.000 1.367 197 H CB 1.453 31.299 29.762 0.139 0.000 1.455 197 H HN 0.803 nan 8.280 nan 0.000 0.519 198 H N 0.531 119.862 119.070 0.434 0.000 2.544 198 H HA 0.091 4.650 4.556 0.005 0.000 0.269 198 H C 0.524 176.204 175.328 0.585 0.000 0.970 198 H CA 0.522 56.862 56.048 0.486 0.000 1.219 198 H CB 0.447 30.423 29.762 0.358 0.000 1.421 198 H HN 0.280 nan 8.280 nan 0.000 0.555 199 S N 0.134 115.984 115.700 0.249 0.000 2.617 199 S HA 0.334 4.807 4.470 0.005 0.000 0.237 199 S C -2.889 171.728 174.600 0.029 0.000 1.142 199 S CA -1.344 57.023 58.200 0.278 0.000 1.167 199 S CB 0.510 63.833 63.200 0.206 0.000 1.068 199 S HN 0.149 nan 8.310 nan 0.000 0.470 200 P HA 0.136 nan 4.420 nan 0.000 0.271 200 P C 0.661 177.823 177.300 -0.230 0.000 1.218 200 P CA -0.498 62.471 63.100 -0.219 0.000 0.780 200 P CB 1.151 32.735 31.700 -0.194 0.000 0.901 201 L N 2.131 123.171 121.223 -0.306 0.000 2.202 201 L HA 0.301 4.645 4.340 0.005 0.000 0.205 201 L C 0.337 176.751 176.870 -0.759 0.000 1.083 201 L CA 1.507 56.013 54.840 -0.557 0.000 0.790 201 L CB -0.472 41.195 42.059 -0.653 0.000 0.942 201 L HN 0.190 nan 8.230 nan 0.000 0.452 202 F N -0.905 118.939 119.950 -0.177 0.000 2.618 202 F HA 0.407 4.937 4.527 0.005 0.000 0.332 202 F C 1.608 177.319 175.800 -0.149 0.000 1.061 202 F CA -0.668 57.250 58.000 -0.137 0.000 0.974 202 F CB 0.891 39.842 39.000 -0.082 0.000 1.310 202 F HN -0.162 nan 8.300 nan 0.000 0.491 203 R N 1.094 121.667 120.500 0.122 0.000 2.066 203 R HA 0.212 4.556 4.340 0.005 0.000 0.232 203 R C 0.458 176.730 176.300 -0.047 0.000 1.131 203 R CA 0.900 56.988 56.100 -0.019 0.000 0.955 203 R CB -0.905 29.386 30.300 -0.014 0.000 0.851 203 R HN 0.960 nan 8.270 nan 0.000 0.432 204 G N 2.993 111.787 108.800 -0.010 0.000 2.883 204 G HA2 -0.270 3.694 3.960 0.005 0.000 0.219 204 G HA3 -0.270 3.694 3.960 0.005 0.000 0.219 204 G C -0.026 174.838 174.900 -0.060 0.000 0.908 204 G CA 0.158 45.235 45.100 -0.038 0.000 0.978 204 G HN 0.747 nan 8.290 nan 0.000 0.365 205 N N 0.839 119.510 118.700 -0.049 0.000 2.799 205 N HA -0.127 4.617 4.740 0.005 0.000 0.202 205 N C 1.133 176.612 175.510 -0.051 0.000 1.502 205 N CA 1.094 54.114 53.050 -0.050 0.000 0.957 205 N CB 0.260 38.723 38.487 -0.040 0.000 1.148 205 N HN 0.847 nan 8.380 nan 0.000 0.455 206 E N 0.743 120.907 120.200 -0.061 0.000 2.011 206 E HA 0.006 4.359 4.350 0.005 0.000 0.191 206 E C -0.082 176.474 176.600 -0.073 0.000 0.979 206 E CA 0.683 57.048 56.400 -0.059 0.000 0.822 206 E CB 0.162 29.820 29.700 -0.070 0.000 0.782 206 E HN 0.424 nan 8.360 nan 0.000 0.459 207 D N -1.324 119.017 120.400 -0.097 0.000 2.228 207 D HA 0.383 5.026 4.640 0.005 0.000 0.247 207 D C -0.750 175.475 176.300 -0.124 0.000 0.995 207 D CA -0.144 53.794 54.000 -0.103 0.000 0.903 207 D CB 1.946 42.682 40.800 -0.108 0.000 1.205 207 D HN 0.138 nan 8.370 nan 0.000 0.459 208 A N 0.548 123.291 122.820 -0.128 0.000 2.663 208 A HA 0.179 4.502 4.320 0.005 0.000 0.273 208 A C 0.898 178.363 177.584 -0.199 0.000 0.932 208 A CA -0.295 51.645 52.037 -0.161 0.000 1.055 208 A CB 0.431 19.354 19.000 -0.129 0.000 1.206 208 A HN 0.345 nan 8.150 nan 0.000 0.485 209 S N -0.320 115.258 115.700 -0.203 0.000 2.502 209 S HA 0.156 4.629 4.470 0.005 0.000 0.228 209 S C 1.230 175.629 174.600 -0.336 0.000 1.061 209 S CA 1.046 59.111 58.200 -0.224 0.000 0.935 209 S CB -0.067 63.044 63.200 -0.147 0.000 0.809 209 S HN 0.893 nan 8.310 nan 0.000 0.510 213 F N 0.660 120.247 119.950 -0.605 0.000 2.732 213 F HA 0.519 5.049 4.527 0.006 0.000 0.303 213 F C 0.366 175.936 175.800 -0.384 0.000 1.110 213 F CA -0.292 57.201 58.000 -0.845 0.000 1.355 213 F CB 0.609 39.187 39.000 -0.703 0.000 1.081 213 F HN -0.100 nan 8.300 nan 0.000 0.565 214 S N 1.758 117.292 115.700 -0.276 0.000 3.208 214 S HA 0.329 4.802 4.470 0.005 0.000 0.195 214 S C -0.414 173.545 174.600 -1.069 0.000 1.394 214 S CA -0.501 57.426 58.200 -0.455 0.000 1.127 214 S CB -0.912 62.212 63.200 -0.126 0.000 1.282 214 S HN 0.565 nan 8.310 nan 0.000 0.513 215 N N -1.287 116.613 118.700 -1.332 0.000 2.935 215 N HA 0.504 5.247 4.740 0.005 0.000 0.248 215 N C 0.423 175.605 175.510 -0.546 0.000 1.276 215 N CA -0.625 51.797 53.050 -1.047 0.000 0.906 215 N CB 0.345 38.559 38.487 -0.455 0.000 1.564 215 N HN -0.053 nan 8.380 nan 0.000 0.500 216 A N 0.758 123.447 122.820 -0.217 0.000 1.884 216 A HA -0.317 4.006 4.320 0.005 0.000 0.219 216 A C 1.710 179.235 177.584 -0.097 0.000 1.197 216 A CA 2.611 54.639 52.037 -0.015 0.000 0.637 216 A CB -1.414 17.505 19.000 -0.136 0.000 0.827 216 A HN 0.972 nan 8.150 nan 0.000 0.450 217 D N -2.173 118.051 120.400 -0.293 0.000 2.126 217 D HA -0.275 4.368 4.640 0.005 0.000 0.190 217 D C 1.785 178.164 176.300 0.131 0.000 1.001 217 D CA 2.055 55.987 54.000 -0.113 0.000 0.841 217 D CB -0.345 40.391 40.800 -0.106 0.000 0.949 217 D HN 0.554 nan 8.370 nan 0.000 0.446 218 Y N 0.648 120.954 120.300 0.011 0.000 2.114 218 Y HA -0.143 4.410 4.550 0.006 0.000 0.284 218 Y C 2.330 178.292 175.900 0.104 0.000 1.143 218 Y CA 2.120 60.261 58.100 0.067 0.000 1.135 218 Y CB -0.856 37.632 38.460 0.046 0.000 0.980 218 Y HN 0.084 nan 8.280 nan 0.000 0.499 219 A N -0.394 122.573 122.820 0.246 0.000 1.903 219 A HA -0.252 4.071 4.320 0.005 0.000 0.219 219 A C 2.352 179.997 177.584 0.101 0.000 1.191 219 A CA 2.487 54.649 52.037 0.208 0.000 0.638 219 A CB -1.490 17.695 19.000 0.308 0.000 0.823 219 A HN 0.382 nan 8.150 nan 0.000 0.451 220 V N -0.120 119.859 119.914 0.107 0.000 2.343 220 V HA -0.230 3.894 4.120 0.005 0.000 0.247 220 V C 2.806 178.929 176.094 0.047 0.000 1.051 220 V CA 2.376 64.738 62.300 0.103 0.000 1.036 220 V CB -0.764 31.181 31.823 0.203 0.000 0.654 220 V HN 0.605 nan 8.190 nan 0.000 0.451 221 S N -1.241 114.471 115.700 0.020 0.000 2.368 221 S HA -0.209 4.264 4.470 0.005 0.000 0.224 221 S C 1.873 176.422 174.600 -0.085 0.000 1.029 221 S CA 1.610 59.789 58.200 -0.035 0.000 0.988 221 S CB -0.472 62.705 63.200 -0.040 0.000 0.838 221 S HN 0.627 nan 8.310 nan 0.000 0.462 222 Y N 2.382 122.466 120.300 -0.360 0.000 2.097 222 Y HA -0.132 4.422 4.550 0.006 0.000 0.282 222 Y C 2.329 178.123 175.900 -0.177 0.000 1.152 222 Y CA 1.267 59.160 58.100 -0.344 0.000 1.136 222 Y CB -0.468 37.724 38.460 -0.446 0.000 0.975 222 Y HN 0.115 nan 8.280 nan 0.000 0.498 223 M N -0.533 118.996 119.600 -0.119 0.000 2.149 223 M HA -0.248 4.235 4.480 0.005 0.000 0.261 223 M C 2.278 178.491 176.300 -0.145 0.000 1.064 223 M CA 1.526 56.732 55.300 -0.156 0.000 1.102 223 M CB -1.255 31.306 32.600 -0.064 0.000 1.369 223 M HN 0.365 nan 8.290 nan 0.000 0.408 224 L N -1.136 120.029 121.223 -0.096 0.000 2.056 224 L HA -0.194 4.149 4.340 0.005 0.000 0.207 224 L C 2.759 179.565 176.870 -0.106 0.000 1.078 224 L CA 1.005 55.799 54.840 -0.075 0.000 0.749 224 L CB -0.632 41.402 42.059 -0.041 0.000 0.901 224 L HN 0.286 nan 8.230 nan 0.000 0.433 225 R N -0.039 120.376 120.500 -0.142 0.000 2.148 225 R HA -0.067 4.276 4.340 0.005 0.000 0.223 225 R C 1.855 178.035 176.300 -0.199 0.000 1.088 225 R CA 0.782 56.793 56.100 -0.147 0.000 0.985 225 R CB -0.023 30.197 30.300 -0.132 0.000 0.880 225 R HN 0.258 nan 8.270 nan 0.000 0.451 226 L N -0.451 120.596 121.223 -0.294 0.000 2.610 226 L HA 0.062 4.405 4.340 0.005 0.000 0.232 226 L C 1.293 178.062 176.870 -0.170 0.000 1.149 226 L CA 1.488 56.157 54.840 -0.285 0.000 0.872 226 L CB -0.589 41.237 42.059 -0.389 0.000 0.992 226 L HN 0.476 nan 8.230 nan 0.000 0.447 227 G N -1.286 107.434 108.800 -0.132 0.000 2.184 227 G HA2 -0.162 3.802 3.960 0.005 0.000 0.206 227 G HA3 -0.162 3.802 3.960 0.005 0.000 0.206 227 G C 0.503 175.360 174.900 -0.073 0.000 0.995 227 G CA -0.017 45.029 45.100 -0.091 0.000 0.651 227 G HN 0.581 nan 8.290 nan 0.000 0.511 228 A N 1.030 123.805 122.820 -0.074 0.000 2.362 228 A HA 0.719 5.043 4.320 0.005 0.000 0.276 228 A C -1.700 175.866 177.584 -0.029 0.000 1.153 228 A CA -0.952 51.057 52.037 -0.047 0.000 0.813 228 A CB 0.301 19.275 19.000 -0.044 0.000 1.081 228 A HN 0.144 nan 8.150 nan 0.000 0.507 229 P HA 0.267 nan 4.420 nan 0.000 0.271 229 P C 0.860 178.166 177.300 0.010 0.000 1.218 229 P CA 0.257 63.354 63.100 -0.005 0.000 0.780 229 P CB 1.090 32.790 31.700 -0.000 0.000 0.901 230 A N 3.711 126.537 122.820 0.009 0.000 1.908 230 A HA -0.238 4.085 4.320 0.005 0.000 0.218 230 A C 1.554 179.161 177.584 0.037 0.000 1.181 230 A CA 2.118 54.168 52.037 0.022 0.000 0.627 230 A CB -1.667 17.342 19.000 0.016 0.000 0.818 230 A HN 0.765 nan 8.150 nan 0.000 0.445 231 N N -1.023 117.696 118.700 0.030 0.000 2.609 231 N HA -0.064 4.679 4.740 0.005 0.000 0.190 231 N C 0.956 176.500 175.510 0.058 0.000 1.157 231 N CA 1.311 54.383 53.050 0.037 0.000 0.918 231 N CB -0.104 38.396 38.487 0.022 0.000 0.978 231 N HN 0.550 nan 8.380 nan 0.000 0.448 232 K N -0.720 119.721 120.400 0.069 0.000 2.450 232 K HA 0.256 4.579 4.320 0.005 0.000 0.206 232 K C -0.216 176.461 176.600 0.128 0.000 1.148 232 K CA -0.289 56.065 56.287 0.111 0.000 1.014 232 K CB 0.765 33.322 32.500 0.095 0.000 0.966 232 K HN 0.140 nan 8.250 nan 0.000 0.566 233 L N 2.358 123.635 121.223 0.089 0.000 2.349 233 L HA 0.256 4.599 4.340 0.005 0.000 0.275 233 L C -0.642 176.288 176.870 0.100 0.000 1.115 233 L CA -0.207 54.687 54.840 0.090 0.000 0.820 233 L CB 1.351 43.447 42.059 0.062 0.000 1.135 233 L HN -0.186 nan 8.230 nan 0.000 0.445 234 V N 5.465 125.451 119.914 0.120 0.000 2.531 234 V HA 0.333 4.457 4.120 0.005 0.000 0.301 234 V C -0.012 176.159 176.094 0.128 0.000 1.034 234 V CA -0.520 61.847 62.300 0.110 0.000 0.865 234 V CB 2.015 33.911 31.823 0.121 0.000 0.995 234 V HN 0.758 nan 8.190 nan 0.000 0.424 235 M N 3.517 123.189 119.600 0.122 0.000 2.188 235 M HA 0.605 5.088 4.480 0.005 0.000 0.357 235 M C 0.598 177.005 176.300 0.177 0.000 1.204 235 M CA -0.188 55.194 55.300 0.136 0.000 1.095 235 M CB 0.978 33.657 32.600 0.132 0.000 1.604 235 M HN 0.825 nan 8.290 nan 0.000 0.464 236 G N 6.068 114.994 108.800 0.210 0.000 2.380 236 G HA2 0.533 4.496 3.960 0.005 0.000 0.262 236 G HA3 0.533 4.496 3.960 0.005 0.000 0.262 236 G C -0.789 174.352 174.900 0.401 0.000 1.243 236 G CA -0.560 44.756 45.100 0.359 0.000 0.865 236 G HN 0.790 nan 8.290 nan 0.000 0.513 237 I N 4.639 125.423 120.570 0.357 0.000 2.410 237 I HA 0.292 4.465 4.170 0.005 0.000 0.286 237 I C -2.135 174.075 176.117 0.155 0.000 1.009 237 I CA -2.289 59.153 61.300 0.236 0.000 1.111 237 I CB 2.995 41.074 38.000 0.132 0.000 1.262 237 I HN 0.330 nan 8.210 nan 0.000 0.443 238 P HA 0.157 nan 4.420 nan 0.000 0.278 238 P C -0.007 177.220 177.300 -0.122 0.000 1.238 238 P CA -0.145 62.849 63.100 -0.176 0.000 0.794 238 P CB 2.007 33.420 31.700 -0.477 0.000 0.955 239 T N 1.492 116.038 114.554 -0.013 0.000 3.023 239 T HA 0.234 4.587 4.350 0.005 0.000 0.253 239 T C 0.439 175.193 174.700 0.089 0.000 1.038 239 T CA 0.059 62.173 62.100 0.022 0.000 0.962 239 T CB -0.373 68.556 68.868 0.101 0.000 1.018 239 T HN 0.426 nan 8.240 nan 0.000 0.521 240 F N -0.093 119.888 119.950 0.053 0.000 2.535 240 F HA 0.889 5.419 4.527 0.005 0.000 0.367 240 F C 0.343 176.204 175.800 0.101 0.000 1.096 240 F CA -1.695 56.330 58.000 0.041 0.000 1.088 240 F CB 0.340 39.338 39.000 -0.003 0.000 1.387 240 F HN -0.108 nan 8.300 nan 0.000 0.494 241 G N -0.280 108.610 108.800 0.150 0.000 2.680 241 G HA2 0.655 4.618 3.960 0.005 0.000 0.290 241 G HA3 0.655 4.618 3.960 0.005 0.000 0.290 241 G C -1.848 173.107 174.900 0.092 0.000 1.355 241 G CA -1.445 43.709 45.100 0.090 0.000 0.903 241 G HN 0.687 nan 8.290 nan 0.000 0.474 242 R N 0.014 120.499 120.500 -0.026 0.000 2.514 242 R HA 0.610 4.953 4.340 0.005 0.000 0.301 242 R C -0.022 176.094 176.300 -0.306 0.000 0.962 242 R CA -0.575 55.425 56.100 -0.166 0.000 0.882 242 R CB 1.943 32.112 30.300 -0.218 0.000 1.143 242 R HN 0.662 nan 8.270 nan 0.000 0.452 243 S N 1.725 117.168 115.700 -0.429 0.000 2.638 243 S HA 0.620 5.093 4.470 0.005 0.000 0.298 243 S C -0.927 173.308 174.600 -0.609 0.000 1.111 243 S CA -0.682 57.293 58.200 -0.375 0.000 1.027 243 S CB 0.964 64.043 63.200 -0.202 0.000 1.064 243 S HN 0.530 nan 8.310 nan 0.000 0.525 244 Y N -0.753 119.642 120.300 0.159 0.000 2.513 244 Y HA 0.400 4.953 4.550 0.004 0.000 0.340 244 Y C -0.027 175.955 175.900 0.137 0.000 1.055 244 Y CA -1.032 57.143 58.100 0.125 0.000 1.020 244 Y CB 2.275 40.799 38.460 0.106 0.000 1.301 244 Y HN 0.627 nan 8.280 nan 0.000 0.453 245 T N 4.659 119.354 114.554 0.236 0.000 2.727 245 T HA 0.377 4.730 4.350 0.005 0.000 0.298 245 T C 0.065 174.847 174.700 0.137 0.000 0.942 245 T CA -0.504 61.697 62.100 0.167 0.000 0.997 245 T CB -0.178 68.755 68.868 0.109 0.000 0.917 245 T HN 0.328 nan 8.240 nan 0.000 0.487 246 L N 2.342 123.653 121.223 0.146 0.000 2.485 246 L HA 0.289 4.632 4.340 0.005 0.000 0.275 246 L C 1.264 178.166 176.870 0.052 0.000 1.207 246 L CA -0.372 54.518 54.840 0.083 0.000 0.855 246 L CB 0.342 42.471 42.059 0.116 0.000 1.114 246 L HN 0.700 nan 8.230 nan 0.000 0.485 247 A N 1.754 124.583 122.820 0.015 0.000 2.500 247 A HA 0.412 4.735 4.320 0.005 0.000 0.267 247 A C 0.551 178.142 177.584 0.011 0.000 1.290 247 A CA 0.451 52.496 52.037 0.012 0.000 0.928 247 A CB -0.136 18.861 19.000 -0.005 0.000 1.066 247 A HN 0.807 nan 8.150 nan 0.000 0.516 248 S N -2.022 113.691 115.700 0.021 0.000 3.319 248 S HA 0.355 4.828 4.470 0.005 0.000 0.310 248 S C 0.412 175.037 174.600 0.042 0.000 1.223 248 S CA 0.456 58.669 58.200 0.022 0.000 1.189 248 S CB 0.132 63.335 63.200 0.006 0.000 1.514 248 S HN 0.768 nan 8.310 nan 0.000 0.554 249 S N -0.787 114.939 115.700 0.043 0.000 2.701 249 S HA 0.390 4.863 4.470 0.005 0.000 0.242 249 S C 0.044 174.687 174.600 0.071 0.000 1.025 249 S CA -0.454 57.784 58.200 0.063 0.000 1.016 249 S CB -0.194 63.039 63.200 0.055 0.000 0.977 249 S HN 0.518 nan 8.310 nan 0.000 0.546 250 K N 1.955 122.382 120.400 0.046 0.000 2.349 250 K HA 0.291 4.614 4.320 0.005 0.000 0.288 250 K C -0.047 176.584 176.600 0.052 0.000 1.058 250 K CA 0.235 56.544 56.287 0.036 0.000 0.953 250 K CB 0.948 33.445 32.500 -0.006 0.000 0.997 250 K HN 0.148 nan 8.250 nan 0.000 0.477 251 T N 1.784 116.407 114.554 0.115 0.000 2.969 251 T HA 0.033 4.386 4.350 0.005 0.000 0.250 251 T C 0.167 175.005 174.700 0.231 0.000 1.021 251 T CA 0.030 62.274 62.100 0.240 0.000 1.003 251 T CB 0.346 69.423 68.868 0.348 0.000 1.040 251 T HN 0.502 nan 8.240 nan 0.000 0.492 252 D N 1.381 121.852 120.400 0.118 0.000 2.414 252 D HA 0.211 4.854 4.640 0.005 0.000 0.251 252 D C 0.431 176.744 176.300 0.022 0.000 1.252 252 D CA -0.205 53.858 54.000 0.104 0.000 0.999 252 D CB 0.702 41.548 40.800 0.075 0.000 1.093 252 D HN -0.028 nan 8.370 nan 0.000 0.515 253 V N -0.084 119.883 119.914 0.090 0.000 2.953 253 V HA 0.243 4.366 4.120 0.005 0.000 0.304 253 V C 1.781 177.830 176.094 -0.076 0.000 1.138 253 V CA 0.939 63.257 62.300 0.029 0.000 1.266 253 V CB 0.148 32.015 31.823 0.073 0.000 0.923 253 V HN 0.947 nan 8.190 nan 0.000 0.505 254 G N 2.183 110.892 108.800 -0.150 0.000 2.304 254 G HA2 -0.143 3.820 3.960 0.005 0.000 0.252 254 G HA3 -0.143 3.820 3.960 0.005 0.000 0.252 254 G C 0.635 175.428 174.900 -0.178 0.000 1.014 254 G CA 0.117 45.131 45.100 -0.144 0.000 0.619 254 G HN 2.071 nan 8.290 nan 0.000 0.525 255 A N 1.633 124.328 122.820 -0.210 0.000 2.616 255 A HA 0.434 4.757 4.320 0.005 0.000 0.234 255 A C -1.231 176.215 177.584 -0.231 0.000 1.024 255 A CA 0.892 52.804 52.037 -0.208 0.000 0.758 255 A CB -0.147 18.703 19.000 -0.250 0.000 0.939 255 A HN 0.364 nan 8.150 nan 0.000 0.510 256 P HA 0.302 nan 4.420 nan 0.000 0.271 256 P C -0.478 176.742 177.300 -0.134 0.000 1.216 256 P CA -0.074 62.952 63.100 -0.125 0.000 0.776 256 P CB 0.532 32.189 31.700 -0.071 0.000 0.881 257 I N 1.485 121.980 120.570 -0.125 0.000 2.693 257 I HA 0.198 4.372 4.170 0.005 0.000 0.303 257 I C 1.315 177.411 176.117 -0.035 0.000 1.025 257 I CA -0.134 61.108 61.300 -0.097 0.000 1.086 257 I CB 1.819 39.722 38.000 -0.162 0.000 1.268 257 I HN 0.316 nan 8.210 nan 0.000 0.440 258 S N 2.646 118.350 115.700 0.007 0.000 2.499 258 S HA 0.446 4.919 4.470 0.005 0.000 0.225 258 S C 0.471 175.091 174.600 0.032 0.000 1.050 258 S CA 0.623 58.835 58.200 0.020 0.000 0.928 258 S CB 0.368 63.587 63.200 0.032 0.000 0.803 258 S HN 0.969 nan 8.310 nan 0.000 0.506 259 G N 0.850 109.685 108.800 0.059 0.000 2.317 259 G HA2 0.341 4.304 3.960 0.005 0.000 0.293 259 G HA3 0.341 4.304 3.960 0.005 0.000 0.293 259 G C -3.407 171.568 174.900 0.125 0.000 1.287 259 G CA -0.619 44.523 45.100 0.071 0.000 0.850 259 G HN 0.128 nan 8.290 nan 0.000 0.515 260 P HA 0.379 nan 4.420 nan 0.000 0.273 260 P C 0.668 177.990 177.300 0.037 0.000 1.250 260 P CA 0.444 63.577 63.100 0.054 0.000 0.793 260 P CB 0.589 32.271 31.700 -0.029 0.000 1.011 261 G N 0.306 109.095 108.800 -0.019 0.000 2.562 261 G HA2 0.459 4.422 3.960 0.005 0.000 0.275 261 G HA3 0.459 4.422 3.960 0.005 0.000 0.275 261 G C 0.449 175.357 174.900 0.013 0.000 1.196 261 G CA -0.922 44.188 45.100 0.017 0.000 0.908 261 G HN 0.642 nan 8.290 nan 0.000 0.524 262 I N -1.117 119.479 120.570 0.043 0.000 2.836 262 I HA 0.309 4.482 4.170 0.005 0.000 0.285 262 I C -2.293 173.847 176.117 0.040 0.000 1.174 262 I CA -1.500 59.826 61.300 0.042 0.000 1.405 262 I CB 0.620 38.657 38.000 0.061 0.000 1.385 262 I HN 0.121 nan 8.210 nan 0.000 0.594 263 P HA 0.173 nan 4.420 nan 0.000 0.269 263 P C -0.063 177.277 177.300 0.068 0.000 1.215 263 P CA -0.111 63.029 63.100 0.067 0.000 0.780 263 P CB 0.524 32.267 31.700 0.072 0.000 0.898 264 G N 0.823 109.672 108.800 0.081 0.000 2.448 264 G HA2 0.117 4.081 3.960 0.005 0.000 0.285 264 G HA3 0.117 4.081 3.960 0.005 0.000 0.285 264 G C 0.813 175.749 174.900 0.060 0.000 1.176 264 G CA -0.510 44.635 45.100 0.076 0.000 0.852 264 G HN 0.475 nan 8.290 nan 0.000 0.530 265 R N 0.697 121.198 120.500 0.002 0.000 2.139 265 R HA -0.099 4.244 4.340 0.005 0.000 0.243 265 R C 1.226 177.340 176.300 -0.310 0.000 1.145 265 R CA 1.782 57.755 56.100 -0.212 0.000 0.976 265 R CB -0.141 29.918 30.300 -0.403 0.000 0.866 265 R HN 0.613 nan 8.270 nan 0.000 0.449 266 F N -1.799 118.229 119.950 0.130 0.000 2.490 266 F HA 0.078 4.609 4.527 0.007 0.000 0.280 266 F C 2.508 178.387 175.800 0.133 0.000 1.030 266 F CA 0.724 58.819 58.000 0.159 0.000 1.367 266 F CB -0.399 38.749 39.000 0.246 0.000 1.131 266 F HN 0.010 nan 8.300 nan 0.000 0.632 267 T N -1.974 112.748 114.554 0.279 0.000 3.035 267 T HA -0.046 4.307 4.350 0.005 0.000 0.268 267 T C 0.786 175.591 174.700 0.175 0.000 1.109 267 T CA 0.224 62.416 62.100 0.154 0.000 1.119 267 T CB -0.642 68.246 68.868 0.034 0.000 0.900 267 T HN 0.144 nan 8.240 nan 0.000 0.503 268 K N 0.473 120.988 120.400 0.192 0.000 3.730 268 K HA -0.159 4.164 4.320 0.005 0.000 0.276 268 K C -1.318 175.501 176.600 0.366 0.000 0.904 268 K CA 0.281 56.697 56.287 0.214 0.000 0.741 268 K CB -1.467 31.148 32.500 0.191 0.000 1.542 268 K HN 0.617 nan 8.250 nan 0.000 0.446 269 W N 1.443 122.747 121.300 0.007 0.000 3.132 269 W HA 0.263 4.926 4.660 0.006 0.000 0.337 269 W C -0.532 175.963 176.519 -0.039 0.000 1.082 269 W CA -0.900 56.434 57.345 -0.019 0.000 1.242 269 W CB 1.089 30.531 29.460 -0.030 0.000 1.354 269 W HN -0.085 nan 8.180 nan 0.000 0.461 270 K N 2.511 122.849 120.400 -0.102 0.000 2.436 270 K HA 0.370 4.693 4.320 0.005 0.000 0.282 270 K C 0.982 177.505 176.600 -0.129 0.000 1.044 270 K CA 1.536 57.755 56.287 -0.113 0.000 1.028 270 K CB 0.403 32.806 32.500 -0.162 0.000 0.919 270 K HN 0.857 nan 8.250 nan 0.000 0.474 271 G N 2.644 111.396 108.800 -0.080 0.000 2.195 271 G HA2 -0.207 3.756 3.960 0.005 0.000 0.246 271 G HA3 -0.207 3.756 3.960 0.005 0.000 0.246 271 G C 0.073 174.935 174.900 -0.064 0.000 0.984 271 G CA -0.350 44.671 45.100 -0.131 0.000 0.633 271 G HN 0.476 nan 8.290 nan 0.000 0.525 272 I N 0.575 121.193 120.570 0.080 0.000 2.740 272 I HA 0.734 4.907 4.170 0.005 0.000 0.303 272 I C 0.108 176.264 176.117 0.064 0.000 1.044 272 I CA -0.980 60.394 61.300 0.123 0.000 1.064 272 I CB 1.756 39.903 38.000 0.245 0.000 1.249 272 I HN 0.040 nan 8.210 nan 0.000 0.433 273 L N 2.879 124.129 121.223 0.045 0.000 2.482 273 L HA 0.596 4.939 4.340 0.005 0.000 0.263 273 L C -0.078 176.761 176.870 -0.052 0.000 0.957 273 L CA -0.714 54.100 54.840 -0.043 0.000 0.836 273 L CB 2.223 44.207 42.059 -0.124 0.000 1.324 273 L HN 0.698 nan 8.230 nan 0.000 0.406 274 A N 0.971 123.647 122.820 -0.240 0.000 2.332 274 A HA 0.172 4.495 4.320 0.005 0.000 0.258 274 A C 0.285 177.694 177.584 -0.291 0.000 1.087 274 A CA 0.099 51.906 52.037 -0.385 0.000 0.802 274 A CB 0.159 18.501 19.000 -1.097 0.000 1.042 274 A HN 0.753 nan 8.150 nan 0.000 0.489 275 Y N 1.081 121.227 120.300 -0.257 0.000 2.274 275 Y HA -0.259 4.294 4.550 0.006 0.000 0.290 275 Y C 1.909 177.719 175.900 -0.150 0.000 1.145 275 Y CA 2.442 60.464 58.100 -0.129 0.000 1.203 275 Y CB -0.613 37.852 38.460 0.008 0.000 0.984 275 Y HN 0.802 nan 8.280 nan 0.000 0.533 276 Y N -1.490 118.657 120.300 -0.256 0.000 2.373 276 Y HA 0.071 4.625 4.550 0.005 0.000 0.293 276 Y C 1.859 177.507 175.900 -0.420 0.000 1.129 276 Y CA 0.989 58.793 58.100 -0.493 0.000 1.226 276 Y CB -1.061 36.904 38.460 -0.826 0.000 1.000 276 Y HN 0.098 nan 8.280 nan 0.000 0.549 277 E N 0.898 120.829 120.200 -0.447 0.000 2.112 277 E HA -0.053 4.301 4.350 0.005 0.000 0.190 277 E C 2.085 178.625 176.600 -0.100 0.000 0.979 277 E CA 1.054 57.367 56.400 -0.145 0.000 0.814 277 E CB -0.119 29.485 29.700 -0.161 0.000 0.762 277 E HN 0.527 nan 8.360 nan 0.000 0.460 278 I N 0.772 121.206 120.570 -0.226 0.000 2.226 278 I HA -0.303 3.870 4.170 0.005 0.000 0.245 278 I C 2.264 178.229 176.117 -0.253 0.000 1.100 278 I CA 0.631 61.773 61.300 -0.264 0.000 1.374 278 I CB -0.206 37.595 38.000 -0.332 0.000 1.057 278 I HN 0.258 nan 8.210 nan 0.000 0.413 279 c N 0.414 118.812 118.600 -0.337 0.000 2.411 279 c HA -0.194 4.379 4.570 0.005 0.000 0.279 279 c C 2.516 176.478 174.090 -0.213 0.000 1.288 279 c CA 1.205 57.342 56.329 -0.319 0.000 1.764 279 c CB -0.989 41.332 42.510 -0.315 0.000 1.974 279 c HN 0.557 nan 8.230 nan 0.000 0.498 280 D N -0.252 120.137 120.400 -0.018 0.000 2.091 280 D HA -0.132 4.512 4.640 0.005 0.000 0.199 280 D C 1.860 178.188 176.300 0.047 0.000 0.980 280 D CA 0.936 54.994 54.000 0.097 0.000 0.831 280 D CB -0.459 40.492 40.800 0.251 0.000 0.987 280 D HN 0.461 nan 8.370 nan 0.000 0.460 281 F N 0.391 120.287 119.950 -0.091 0.000 2.147 281 F HA -0.213 4.317 4.527 0.005 0.000 0.301 281 F C 1.926 177.636 175.800 -0.151 0.000 1.084 281 F CA 0.839 58.780 58.000 -0.098 0.000 1.268 281 F CB -0.118 38.807 39.000 -0.125 0.000 1.009 281 F HN 0.011 nan 8.300 nan 0.000 0.486 282 L N 0.284 121.496 121.223 -0.020 0.000 2.187 282 L HA -0.218 4.125 4.340 0.005 0.000 0.213 282 L C 0.768 177.521 176.870 -0.195 0.000 1.100 282 L CA 1.240 56.002 54.840 -0.131 0.000 0.765 282 L CB -1.327 40.597 42.059 -0.226 0.000 0.904 282 L HN 0.082 nan 8.230 nan 0.000 0.437 283 H N 0.111 119.130 119.070 -0.083 0.000 2.955 283 H HA 0.325 4.884 4.556 0.005 0.000 0.290 283 H C 1.399 176.644 175.328 -0.139 0.000 1.047 283 H CA 0.469 56.463 56.048 -0.090 0.000 1.484 283 H CB -0.084 29.641 29.762 -0.062 0.000 1.501 283 H HN 0.272 nan 8.280 nan 0.000 0.521 284 G N 2.245 111.045 108.800 -0.000 0.000 2.137 284 G HA2 -0.158 3.805 3.960 0.005 0.000 0.237 284 G HA3 -0.158 3.805 3.960 0.005 0.000 0.237 284 G C 0.330 175.149 174.900 -0.134 0.000 1.002 284 G CA 0.129 45.190 45.100 -0.065 0.000 0.702 284 G HN 0.903 nan 8.290 nan 0.000 0.515 285 A N -0.798 121.934 122.820 -0.147 0.000 2.299 285 A HA 0.908 5.231 4.320 0.005 0.000 0.332 285 A C 0.361 177.873 177.584 -0.120 0.000 1.131 285 A CA 0.254 52.191 52.037 -0.167 0.000 0.844 285 A CB 1.153 20.053 19.000 -0.166 0.000 1.251 285 A HN 0.679 nan 8.150 nan 0.000 0.486 286 T N 2.056 116.534 114.554 -0.127 0.000 2.744 286 T HA 0.461 4.814 4.350 0.005 0.000 0.291 286 T C 0.236 174.703 174.700 -0.388 0.000 0.957 286 T CA -0.001 61.947 62.100 -0.253 0.000 1.002 286 T CB 0.304 69.008 68.868 -0.273 0.000 0.919 286 T HN 0.767 nan 8.240 nan 0.000 0.468 287 T N 2.981 117.307 114.554 -0.380 0.000 2.779 287 T HA 0.364 4.717 4.350 0.005 0.000 0.296 287 T C -0.342 174.046 174.700 -0.520 0.000 0.938 287 T CA -0.612 61.295 62.100 -0.321 0.000 1.119 287 T CB 0.255 69.020 68.868 -0.172 0.000 0.891 287 T HN 0.527 nan 8.240 nan 0.000 0.526 288 H N 1.764 120.595 119.070 -0.397 0.000 2.946 288 H HA 0.729 5.288 4.556 0.005 0.000 0.365 288 H C -0.461 174.479 175.328 -0.646 0.000 1.197 288 H CA -1.066 54.596 56.048 -0.642 0.000 1.131 288 H CB 2.291 31.289 29.762 -1.272 0.000 1.849 288 H HN 0.680 nan 8.280 nan 0.000 0.555 289 R N 1.576 121.854 120.500 -0.370 0.000 2.522 289 R HA 0.228 4.572 4.340 0.005 0.000 0.273 289 R C -1.542 174.682 176.300 -0.126 0.000 1.133 289 R CA -0.591 55.356 56.100 -0.256 0.000 0.969 289 R CB 0.934 31.161 30.300 -0.120 0.000 1.235 289 R HN 0.241 nan 8.270 nan 0.000 0.433 290 F N 4.493 124.506 119.950 0.104 0.000 2.494 290 F HA 0.209 4.740 4.527 0.005 0.000 0.369 290 F C 1.862 177.686 175.800 0.040 0.000 1.098 290 F CA -0.178 57.886 58.000 0.107 0.000 1.154 290 F CB 0.655 39.723 39.000 0.114 0.000 1.103 290 F HN 0.430 nan 8.300 nan 0.000 0.549 291 R N 1.704 122.329 120.500 0.208 0.000 2.090 291 R HA -0.130 4.214 4.340 0.005 0.000 0.228 291 R C 1.387 177.751 176.300 0.108 0.000 1.110 291 R CA 1.340 57.511 56.100 0.118 0.000 0.973 291 R CB -0.048 30.300 30.300 0.080 0.000 0.869 291 R HN 0.599 nan 8.270 nan 0.000 0.440 292 D N 0.760 121.228 120.400 0.113 0.000 2.087 292 D HA -0.171 4.472 4.640 0.005 0.000 0.192 292 D C 1.890 178.243 176.300 0.088 0.000 0.993 292 D CA 1.487 55.524 54.000 0.062 0.000 0.828 292 D CB -0.061 40.757 40.800 0.030 0.000 0.968 292 D HN 0.353 nan 8.370 nan 0.000 0.448 293 Q N -0.414 119.438 119.800 0.086 0.000 2.331 293 Q HA 0.059 4.402 4.340 0.005 0.000 0.203 293 Q C 0.069 176.113 176.000 0.074 0.000 0.944 293 Q CA 0.161 55.999 55.803 0.059 0.000 0.892 293 Q CB 0.336 29.023 28.738 -0.085 0.000 0.983 293 Q HN 0.276 nan 8.270 nan 0.000 0.482 294 Q N -0.718 119.146 119.800 0.106 0.000 2.493 294 Q HA -0.121 4.222 4.340 0.005 0.000 0.278 294 Q C -1.082 174.898 176.000 -0.033 0.000 1.198 294 Q CA 0.472 56.313 55.803 0.063 0.000 0.880 294 Q CB -2.274 26.529 28.738 0.108 0.000 1.260 294 Q HN 0.282 nan 8.270 nan 0.000 0.470 295 V N -3.468 116.414 119.914 -0.053 0.000 3.007 295 V HA 0.879 5.003 4.120 0.005 0.000 0.311 295 V C -2.514 173.532 176.094 -0.079 0.000 1.120 295 V CA -2.165 60.019 62.300 -0.194 0.000 0.980 295 V CB 2.286 33.712 31.823 -0.662 0.000 1.033 295 V HN -0.043 nan 8.190 nan 0.000 0.429 296 P HA 0.607 nan 4.420 nan 0.000 0.285 296 P C -1.947 175.220 177.300 -0.222 0.000 1.285 296 P CA -0.438 62.491 63.100 -0.285 0.000 0.854 296 P CB 1.750 33.161 31.700 -0.482 0.000 1.180 297 Y N -2.055 118.078 120.300 -0.278 0.000 2.552 297 Y HA 0.806 5.359 4.550 0.005 0.000 0.337 297 Y C -1.904 173.910 175.900 -0.143 0.000 1.094 297 Y CA -1.344 56.590 58.100 -0.278 0.000 1.028 297 Y CB 0.807 38.904 38.460 -0.605 0.000 1.321 297 Y HN 0.638 nan 8.280 nan 0.000 0.456 298 A N 1.565 124.382 122.820 -0.004 0.000 2.469 298 A HA 0.881 5.205 4.320 0.005 0.000 0.299 298 A C -1.073 176.514 177.584 0.006 0.000 1.098 298 A CA -0.556 51.473 52.037 -0.012 0.000 0.737 298 A CB 1.948 21.019 19.000 0.118 0.000 1.312 298 A HN 1.072 nan 8.150 nan 0.000 0.414 299 T N 0.226 114.851 114.554 0.118 0.000 3.041 299 T HA 0.588 4.942 4.350 0.005 0.000 0.321 299 T C -1.619 173.182 174.700 0.169 0.000 1.184 299 T CA -0.580 61.658 62.100 0.230 0.000 1.050 299 T CB 0.961 70.002 68.868 0.289 0.000 1.159 299 T HN 0.921 nan 8.240 nan 0.000 0.469 300 K N 3.454 123.963 120.400 0.182 0.000 2.553 300 K HA 0.577 4.900 4.320 0.005 0.000 0.250 300 K C 0.620 177.258 176.600 0.064 0.000 0.953 300 K CA 0.225 56.506 56.287 -0.009 0.000 0.800 300 K CB 1.229 33.515 32.500 -0.357 0.000 1.243 300 K HN 1.087 nan 8.250 nan 0.000 0.435 301 G N 3.891 112.722 108.800 0.052 0.000 2.583 301 G HA2 -0.401 3.562 3.960 0.005 0.000 0.292 301 G HA3 -0.401 3.562 3.960 0.005 0.000 0.292 301 G C 0.174 175.150 174.900 0.127 0.000 1.203 301 G CA 0.618 45.761 45.100 0.072 0.000 0.987 301 G HN 0.919 nan 8.290 nan 0.000 0.554 302 N N 1.049 119.830 118.700 0.134 0.000 2.276 302 N HA 0.153 4.896 4.740 0.005 0.000 0.212 302 N C 0.264 175.904 175.510 0.216 0.000 1.127 302 N CA 0.476 53.620 53.050 0.158 0.000 0.834 302 N CB 0.414 38.970 38.487 0.115 0.000 1.014 302 N HN 0.566 nan 8.380 nan 0.000 0.491 303 Q N 0.237 120.199 119.800 0.270 0.000 2.230 303 Q HA 0.282 4.625 4.340 0.005 0.000 0.253 303 Q C -1.432 174.834 176.000 0.443 0.000 0.919 303 Q CA -0.239 55.770 55.803 0.343 0.000 0.908 303 Q CB 1.792 30.781 28.738 0.419 0.000 1.245 303 Q HN 0.446 nan 8.270 nan 0.000 0.437 304 W N 2.870 124.296 121.300 0.209 0.000 2.715 304 W HA 0.539 5.201 4.660 0.004 0.000 0.331 304 W C -1.493 175.121 176.519 0.159 0.000 1.031 304 W CA -0.519 56.962 57.345 0.227 0.000 1.237 304 W CB 1.195 30.778 29.460 0.205 0.000 1.378 304 W HN 0.279 nan 8.180 nan 0.000 0.454 305 V N 5.196 125.003 119.914 -0.179 0.000 2.540 305 V HA 0.795 4.919 4.120 0.005 0.000 0.302 305 V C -0.068 175.883 176.094 -0.238 0.000 1.035 305 V CA -1.041 61.138 62.300 -0.202 0.000 0.873 305 V CB 1.210 32.769 31.823 -0.439 0.000 0.992 305 V HN 0.664 nan 8.190 nan 0.000 0.428 306 A N 5.040 127.854 122.820 -0.010 0.000 2.271 306 A HA 0.911 5.234 4.320 0.005 0.000 0.317 306 A C -0.871 176.771 177.584 0.098 0.000 1.245 306 A CA -0.393 51.606 52.037 -0.063 0.000 0.857 306 A CB 0.543 19.499 19.000 -0.072 0.000 1.175 306 A HN 1.188 nan 8.150 nan 0.000 0.512 307 Y N -0.177 120.106 120.300 -0.029 0.000 2.889 307 Y HA 0.782 5.336 4.550 0.006 0.000 0.317 307 Y C -1.210 174.786 175.900 0.160 0.000 1.414 307 Y CA -1.617 56.527 58.100 0.073 0.000 1.091 307 Y CB 0.927 39.410 38.460 0.037 0.000 1.358 307 Y HN 0.425 nan 8.280 nan 0.000 0.487 308 D N 0.941 121.395 120.400 0.090 0.000 2.646 308 D HA 0.287 4.930 4.640 0.005 0.000 0.245 308 D C -1.551 174.744 176.300 -0.008 0.000 1.099 308 D CA -0.252 53.715 54.000 -0.054 0.000 0.849 308 D CB 2.429 43.201 40.800 -0.047 0.000 1.448 308 D HN 0.724 nan 8.370 nan 0.000 0.489 309 D N -0.372 120.002 120.400 -0.044 0.000 2.621 309 D HA 0.120 4.763 4.640 0.005 0.000 0.255 309 D C 1.081 177.365 176.300 -0.026 0.000 1.122 309 D CA -0.420 53.600 54.000 0.033 0.000 1.096 309 D CB 0.753 41.678 40.800 0.208 0.000 1.282 309 D HN 0.116 nan 8.370 nan 0.000 0.619 310 Q N -0.825 118.990 119.800 0.026 0.000 2.112 310 Q HA -0.243 4.100 4.340 0.005 0.000 0.206 310 Q C 1.490 177.499 176.000 0.015 0.000 0.987 310 Q CA 1.952 57.769 55.803 0.022 0.000 0.858 310 Q CB -0.171 28.606 28.738 0.065 0.000 0.905 310 Q HN 0.576 nan 8.270 nan 0.000 0.420 311 E N 0.661 120.873 120.200 0.020 0.000 2.072 311 E HA -0.153 4.200 4.350 0.005 0.000 0.191 311 E C 2.060 178.658 176.600 -0.003 0.000 0.985 311 E CA 1.627 58.035 56.400 0.013 0.000 0.801 311 E CB -0.104 29.606 29.700 0.016 0.000 0.750 311 E HN 0.347 nan 8.360 nan 0.000 0.452 312 S N -0.929 114.755 115.700 -0.027 0.000 2.402 312 S HA -0.084 4.389 4.470 0.005 0.000 0.229 312 S C 2.120 176.697 174.600 -0.038 0.000 1.021 312 S CA 1.058 59.231 58.200 -0.045 0.000 0.974 312 S CB -0.427 62.720 63.200 -0.088 0.000 0.800 312 S HN 0.122 nan 8.310 nan 0.000 0.484 313 V N 2.100 121.994 119.914 -0.034 0.000 2.453 313 V HA -0.059 4.064 4.120 0.005 0.000 0.247 313 V C 2.689 178.779 176.094 -0.006 0.000 1.048 313 V CA 1.684 63.969 62.300 -0.024 0.000 1.049 313 V CB -0.533 31.268 31.823 -0.037 0.000 0.672 313 V HN 0.499 nan 8.190 nan 0.000 0.457 314 K N -0.130 120.270 120.400 0.001 0.000 2.148 314 K HA -0.147 4.176 4.320 0.005 0.000 0.204 314 K C 2.031 178.643 176.600 0.019 0.000 1.050 314 K CA 1.181 57.474 56.287 0.011 0.000 0.942 314 K CB -0.291 32.219 32.500 0.018 0.000 0.724 314 K HN 0.475 nan 8.250 nan 0.000 0.446 315 N N 1.195 119.908 118.700 0.021 0.000 2.142 315 N HA -0.137 4.606 4.740 0.005 0.000 0.186 315 N C 1.541 177.075 175.510 0.040 0.000 1.023 315 N CA 1.164 54.239 53.050 0.041 0.000 0.852 315 N CB 0.143 38.651 38.487 0.036 0.000 0.998 315 N HN 0.152 nan 8.380 nan 0.000 0.424 316 K N 0.714 121.113 120.400 -0.003 0.000 2.097 316 K HA -0.042 4.281 4.320 0.005 0.000 0.206 316 K C 2.082 178.717 176.600 0.059 0.000 1.049 316 K CA 1.111 57.392 56.287 -0.011 0.000 0.933 316 K CB -0.082 32.397 32.500 -0.035 0.000 0.717 316 K HN 0.140 nan 8.250 nan 0.000 0.442 317 A N 1.502 124.339 122.820 0.029 0.000 1.902 317 A HA -0.191 4.133 4.320 0.005 0.000 0.217 317 A C 2.023 179.606 177.584 -0.002 0.000 1.181 317 A CA 1.424 53.460 52.037 -0.001 0.000 0.623 317 A CB -0.372 18.611 19.000 -0.029 0.000 0.818 317 A HN 0.208 nan 8.150 nan 0.000 0.443 318 R N -2.314 118.208 120.500 0.036 0.000 2.092 318 R HA -0.113 4.230 4.340 0.005 0.000 0.231 318 R C 2.133 178.477 176.300 0.074 0.000 1.119 318 R CA 1.485 57.609 56.100 0.040 0.000 0.970 318 R CB -0.533 29.806 30.300 0.064 0.000 0.864 318 R HN 0.709 nan 8.270 nan 0.000 0.440 319 Y N 2.542 122.843 120.300 0.001 0.000 2.081 319 Y HA -0.254 4.300 4.550 0.006 0.000 0.280 319 Y C 2.095 177.997 175.900 0.003 0.000 1.163 319 Y CA 1.759 59.865 58.100 0.011 0.000 1.135 319 Y CB -0.210 38.225 38.460 -0.041 0.000 0.970 319 Y HN 0.014 nan 8.280 nan 0.000 0.498 320 L N -0.406 120.908 121.223 0.152 0.000 2.275 320 L HA -0.113 4.231 4.340 0.005 0.000 0.215 320 L C 1.775 178.625 176.870 -0.033 0.000 1.119 320 L CA 1.752 56.623 54.840 0.051 0.000 0.790 320 L CB -1.066 41.050 42.059 0.094 0.000 0.919 320 L HN 0.294 nan 8.230 nan 0.000 0.443 321 K N 0.700 121.065 120.400 -0.059 0.000 2.007 321 K HA -0.063 4.260 4.320 0.005 0.000 0.206 321 K C 1.893 178.502 176.600 0.014 0.000 1.047 321 K CA 1.208 57.478 56.287 -0.029 0.000 0.937 321 K CB -0.043 32.415 32.500 -0.070 0.000 0.718 321 K HN 0.437 nan 8.250 nan 0.000 0.438 322 N N 1.056 119.729 118.700 -0.045 0.000 2.223 322 N HA -0.135 4.608 4.740 0.005 0.000 0.185 322 N C 1.529 176.978 175.510 -0.101 0.000 1.016 322 N CA 0.973 53.989 53.050 -0.058 0.000 0.863 322 N CB -0.094 38.348 38.487 -0.075 0.000 0.983 322 N HN 0.168 nan 8.380 nan 0.000 0.429 323 R N 0.875 121.263 120.500 -0.186 0.000 2.313 323 R HA 0.118 4.461 4.340 0.005 0.000 0.199 323 R C -0.091 176.177 176.300 -0.053 0.000 0.958 323 R CA 0.029 56.028 56.100 -0.167 0.000 1.047 323 R CB 0.103 30.223 30.300 -0.300 0.000 0.955 323 R HN 0.258 nan 8.270 nan 0.000 0.481 324 Q N 0.544 120.346 119.800 0.003 0.000 2.463 324 Q HA -0.189 4.154 4.340 0.005 0.000 0.299 324 Q C -0.667 175.384 176.000 0.086 0.000 1.353 324 Q CA 0.367 56.213 55.803 0.071 0.000 0.828 324 Q CB -1.629 27.129 28.738 0.034 0.000 1.157 324 Q HN 0.384 nan 8.270 nan 0.000 0.436 325 L N -1.276 120.008 121.223 0.102 0.000 2.490 325 L HA 0.356 4.699 4.340 0.005 0.000 0.245 325 L C 1.699 178.662 176.870 0.155 0.000 1.185 325 L CA 0.431 55.331 54.840 0.100 0.000 0.813 325 L CB 0.126 42.235 42.059 0.084 0.000 1.233 325 L HN 0.316 nan 8.230 nan 0.000 0.489 326 A N -0.014 122.874 122.820 0.113 0.000 1.930 326 A HA 0.312 4.635 4.320 0.005 0.000 0.217 326 A C 0.942 178.618 177.584 0.152 0.000 1.175 326 A CA 1.504 53.605 52.037 0.107 0.000 0.627 326 A CB -0.359 18.666 19.000 0.042 0.000 0.815 326 A HN 0.961 nan 8.150 nan 0.000 0.443 327 G N -2.847 106.011 108.800 0.098 0.000 2.452 327 G HA2 0.577 4.540 3.960 0.005 0.000 0.224 327 G HA3 0.577 4.540 3.960 0.005 0.000 0.224 327 G C -0.993 173.919 174.900 0.019 0.000 1.208 327 G CA 0.024 45.154 45.100 0.050 0.000 0.946 327 G HN 1.233 nan 8.290 nan 0.000 0.481 328 A N -0.423 122.401 122.820 0.007 0.000 2.413 328 A HA 0.865 5.188 4.320 0.005 0.000 0.307 328 A C -0.422 177.209 177.584 0.078 0.000 1.087 328 A CA -0.468 51.599 52.037 0.050 0.000 0.750 328 A CB 1.931 20.953 19.000 0.037 0.000 1.296 328 A HN 1.480 nan 8.150 nan 0.000 0.423 329 M N 2.282 121.979 119.600 0.162 0.000 2.393 329 M HA 0.633 5.117 4.480 0.005 0.000 0.316 329 M C -2.154 174.325 176.300 0.297 0.000 1.087 329 M CA -0.541 54.906 55.300 0.245 0.000 0.937 329 M CB 1.589 34.402 32.600 0.355 0.000 1.668 329 M HN 0.402 nan 8.290 nan 0.000 0.438 330 V N 5.227 125.323 119.914 0.303 0.000 2.448 330 V HA 0.455 4.578 4.120 0.005 0.000 0.295 330 V C -1.229 175.077 176.094 0.353 0.000 1.025 330 V CA -0.551 61.911 62.300 0.269 0.000 0.859 330 V CB 1.962 33.876 31.823 0.151 0.000 0.988 330 V HN 0.865 nan 8.190 nan 0.000 0.431 331 W N 6.381 127.753 121.300 0.119 0.000 2.362 331 W HA 0.786 5.449 4.660 0.005 0.000 0.316 331 W C -0.594 175.976 176.519 0.085 0.000 1.024 331 W CA -0.487 56.897 57.345 0.065 0.000 1.270 331 W CB 1.651 31.066 29.460 -0.075 0.000 1.273 331 W HN 0.673 nan 8.180 nan 0.000 0.424 332 A N 5.102 127.763 122.820 -0.265 0.000 2.566 332 A HA 0.470 4.794 4.320 0.005 0.000 0.292 332 A C 0.147 177.603 177.584 -0.214 0.000 1.112 332 A CA -0.659 51.052 52.037 -0.543 0.000 0.707 332 A CB 1.521 19.759 19.000 -1.270 0.000 1.302 332 A HN 0.660 nan 8.150 nan 0.000 0.409 333 L N -0.129 121.010 121.223 -0.140 0.000 2.131 333 L HA -0.173 4.170 4.340 0.005 0.000 0.210 333 L C 1.846 178.771 176.870 0.090 0.000 1.092 333 L CA 2.282 57.159 54.840 0.061 0.000 0.759 333 L CB -0.471 41.623 42.059 0.059 0.000 0.903 333 L HN 1.002 nan 8.230 nan 0.000 0.435 334 D N -0.646 119.657 120.400 -0.161 0.000 2.371 334 D HA -0.133 4.510 4.640 0.005 0.000 0.221 334 D C 1.749 178.058 176.300 0.014 0.000 0.986 334 D CA 0.650 54.482 54.000 -0.279 0.000 0.899 334 D CB -0.096 40.402 40.800 -0.503 0.000 0.902 334 D HN 0.321 nan 8.370 nan 0.000 0.530 335 L N -0.510 120.730 121.223 0.030 0.000 2.640 335 L HA 0.217 4.561 4.340 0.005 0.000 0.230 335 L C 0.828 177.839 176.870 0.235 0.000 1.123 335 L CA -0.280 54.618 54.840 0.096 0.000 0.900 335 L CB 0.066 42.123 42.059 -0.004 0.000 1.146 335 L HN 0.033 nan 8.230 nan 0.000 0.484 336 D N 0.317 120.910 120.400 0.322 0.000 2.411 336 D HA -0.008 4.635 4.640 0.005 0.000 0.251 336 D C -0.413 176.135 176.300 0.415 0.000 1.201 336 D CA -0.261 53.959 54.000 0.366 0.000 0.996 336 D CB 1.247 42.271 40.800 0.374 0.000 1.101 336 D HN -0.145 nan 8.370 nan 0.000 0.504 337 D N 0.619 121.192 120.400 0.289 0.000 2.508 337 D HA 0.028 4.671 4.640 0.005 0.000 0.224 337 D C 0.907 177.053 176.300 -0.258 0.000 1.171 337 D CA -0.325 53.685 54.000 0.017 0.000 1.006 337 D CB -0.908 39.924 40.800 0.052 0.000 1.073 337 D HN 0.325 nan 8.370 nan 0.000 0.513 338 F N 1.051 120.735 119.950 -0.443 0.000 2.502 338 F HA 0.147 4.678 4.527 0.005 0.000 0.298 338 F C 1.652 177.084 175.800 -0.613 0.000 1.111 338 F CA 0.267 57.710 58.000 -0.929 0.000 1.445 338 F CB -0.179 38.437 39.000 -0.639 0.000 1.081 338 F HN 0.080 nan 8.300 nan 0.000 0.558 339 R N 0.594 120.590 120.500 -0.839 0.000 2.156 339 R HA 0.255 4.598 4.340 0.005 0.000 0.207 339 R C 1.479 177.603 176.300 -0.292 0.000 1.040 339 R CA 0.635 56.440 56.100 -0.493 0.000 1.013 339 R CB -0.323 29.649 30.300 -0.545 0.000 0.931 339 R HN 0.480 nan 8.270 nan 0.000 0.465 340 G N 1.271 109.907 108.800 -0.273 0.000 2.171 340 G HA2 -0.252 3.711 3.960 0.005 0.000 0.238 340 G HA3 -0.252 3.711 3.960 0.005 0.000 0.238 340 G C 0.512 175.357 174.900 -0.093 0.000 1.039 340 G CA 0.690 45.711 45.100 -0.131 0.000 0.759 340 G HN 0.458 nan 8.290 nan 0.000 0.501 341 T N -4.253 110.238 114.554 -0.105 0.000 3.111 341 T HA 0.522 4.875 4.350 0.005 0.000 0.284 341 T C 1.344 175.920 174.700 -0.207 0.000 0.983 341 T CA 0.591 62.597 62.100 -0.157 0.000 0.900 341 T CB -0.016 68.704 68.868 -0.247 0.000 1.132 341 T HN 0.149 nan 8.240 nan 0.000 0.531 342 F N 0.784 120.635 119.950 -0.165 0.000 2.553 342 F HA 0.380 4.910 4.527 0.005 0.000 0.282 342 F C 1.633 177.379 175.800 -0.090 0.000 1.089 342 F CA -0.531 57.399 58.000 -0.116 0.000 1.411 342 F CB 0.392 39.317 39.000 -0.125 0.000 1.125 342 F HN 0.221 nan 8.300 nan 0.000 0.610 343 c N 1.371 120.019 118.600 0.079 0.000 2.439 343 c HA 0.589 5.162 4.570 0.005 0.000 0.411 343 c C 1.596 175.699 174.090 0.022 0.000 1.337 343 c CA -0.097 56.228 56.329 -0.005 0.000 1.716 343 c CB -1.804 40.669 42.510 -0.061 0.000 2.332 343 c HN 0.849 nan 8.230 nan 0.000 0.594 344 G N 1.741 110.559 108.800 0.030 0.000 2.846 344 G HA2 -0.313 3.650 3.960 0.005 0.000 0.317 344 G HA3 -0.313 3.650 3.960 0.005 0.000 0.317 344 G C 0.392 175.304 174.900 0.020 0.000 1.210 344 G CA 0.444 45.562 45.100 0.031 0.000 0.972 344 G HN 0.842 nan 8.290 nan 0.000 0.567 345 Q N 1.846 121.665 119.800 0.032 0.000 2.485 345 Q HA -0.009 4.334 4.340 0.005 0.000 0.348 345 Q C -0.408 175.606 176.000 0.023 0.000 1.097 345 Q CA 1.135 56.957 55.803 0.031 0.000 1.079 345 Q CB -0.156 28.611 28.738 0.048 0.000 1.108 345 Q HN 0.533 nan 8.270 nan 0.000 0.400 346 N N 3.656 122.364 118.700 0.013 0.000 2.671 346 N HA 0.260 5.003 4.740 0.005 0.000 0.274 346 N C -1.079 174.442 175.510 0.018 0.000 1.188 346 N CA 0.162 53.214 53.050 0.003 0.000 1.065 346 N CB 0.167 38.651 38.487 -0.005 0.000 1.415 346 N HN 0.490 nan 8.380 nan 0.000 0.511 347 L N 0.613 121.852 121.223 0.026 0.000 2.493 347 L HA 0.400 4.743 4.340 0.005 0.000 0.265 347 L C -0.492 176.401 176.870 0.039 0.000 0.954 347 L CA -0.532 54.338 54.840 0.050 0.000 0.844 347 L CB 2.094 44.197 42.059 0.074 0.000 1.302 347 L HN 0.179 nan 8.230 nan 0.000 0.405 348 T N 3.077 117.656 114.554 0.042 0.000 2.882 348 T HA 0.455 4.808 4.350 0.005 0.000 0.287 348 T C -0.178 174.580 174.700 0.098 0.000 0.992 348 T CA 0.198 62.273 62.100 -0.042 0.000 1.076 348 T CB 0.111 68.943 68.868 -0.060 0.000 0.961 348 T HN 0.413 nan 8.240 nan 0.000 0.490 349 F N 3.339 123.365 119.950 0.127 0.000 2.905 349 F HA -0.117 4.413 4.527 0.006 0.000 0.291 349 F C -2.050 173.819 175.800 0.115 0.000 1.002 349 F CA -0.143 57.937 58.000 0.132 0.000 0.978 349 F CB -1.820 37.245 39.000 0.108 0.000 1.036 349 F HN 0.552 nan 8.300 nan 0.000 0.820 350 P HA -0.170 nan 4.420 nan 0.000 0.214 350 P C 1.964 179.354 177.300 0.150 0.000 1.162 350 P CA 1.091 64.310 63.100 0.199 0.000 0.879 350 P CB 0.247 32.102 31.700 0.259 0.000 0.786 351 L N -0.772 120.515 121.223 0.108 0.000 1.989 351 L HA -0.161 4.182 4.340 0.005 0.000 0.211 351 L C 2.343 179.246 176.870 0.056 0.000 1.071 351 L CA 2.234 57.074 54.840 -0.001 0.000 0.749 351 L CB -1.999 39.985 42.059 -0.125 0.000 0.890 351 L HN 0.005 nan 8.230 nan 0.000 0.431 352 T N -1.829 112.795 114.554 0.118 0.000 2.746 352 T HA -0.152 4.201 4.350 0.005 0.000 0.267 352 T C 2.125 176.869 174.700 0.075 0.000 1.039 352 T CA 1.530 63.684 62.100 0.089 0.000 1.142 352 T CB -0.256 68.658 68.868 0.077 0.000 0.866 352 T HN 0.213 nan 8.240 nan 0.000 0.444 353 S N 0.914 116.681 115.700 0.112 0.000 2.399 353 S HA 0.011 4.485 4.470 0.005 0.000 0.231 353 S C 2.500 177.139 174.600 0.064 0.000 1.022 353 S CA 0.839 59.093 58.200 0.090 0.000 0.983 353 S CB -0.437 62.836 63.200 0.123 0.000 0.803 353 S HN 0.585 nan 8.310 nan 0.000 0.480 354 A N 1.247 124.105 122.820 0.062 0.000 1.933 354 A HA -0.051 4.272 4.320 0.005 0.000 0.218 354 A C 2.000 179.600 177.584 0.027 0.000 1.175 354 A CA 1.132 53.195 52.037 0.043 0.000 0.628 354 A CB -0.602 18.420 19.000 0.038 0.000 0.814 354 A HN 0.500 nan 8.150 nan 0.000 0.444 355 I N -0.630 119.954 120.570 0.023 0.000 2.090 355 I HA -0.275 3.898 4.170 0.005 0.000 0.236 355 I C 2.518 178.634 176.117 -0.001 0.000 1.064 355 I CA 1.907 63.211 61.300 0.007 0.000 1.324 355 I CB -0.317 37.691 38.000 0.012 0.000 1.044 355 I HN 0.358 nan 8.210 nan 0.000 0.399 356 K N 0.868 121.276 120.400 0.013 0.000 2.107 356 K HA -0.291 4.033 4.320 0.005 0.000 0.211 356 K C 1.681 178.292 176.600 0.018 0.000 1.049 356 K CA 2.265 58.562 56.287 0.016 0.000 0.927 356 K CB -0.133 32.386 32.500 0.031 0.000 0.714 356 K HN 0.272 nan 8.250 nan 0.000 0.452 357 D N -0.011 120.403 120.400 0.024 0.000 2.123 357 D HA -0.143 4.500 4.640 0.005 0.000 0.196 357 D C 1.937 178.246 176.300 0.015 0.000 0.992 357 D CA 1.189 55.205 54.000 0.026 0.000 0.833 357 D CB -0.188 40.631 40.800 0.031 0.000 0.954 357 D HN 0.076 nan 8.370 nan 0.000 0.455 358 V N 0.768 120.681 119.914 -0.002 0.000 2.307 358 V HA -0.198 3.926 4.120 0.005 0.000 0.245 358 V C 2.405 178.467 176.094 -0.052 0.000 1.045 358 V CA 0.960 63.249 62.300 -0.019 0.000 1.024 358 V CB -0.336 31.470 31.823 -0.029 0.000 0.651 358 V HN 0.143 nan 8.190 nan 0.000 0.449 359 L N 0.452 121.615 121.223 -0.100 0.000 2.187 359 L HA -0.077 4.266 4.340 0.005 0.000 0.213 359 L C 2.342 179.228 176.870 0.027 0.000 1.100 359 L CA 2.123 56.851 54.840 -0.188 0.000 0.765 359 L CB -1.294 40.657 42.059 -0.180 0.000 0.904 359 L HN 0.345 nan 8.230 nan 0.000 0.437 360 A N -1.982 120.869 122.820 0.051 0.000 2.251 360 A HA 0.101 4.425 4.320 0.005 0.000 0.209 360 A C 1.505 179.140 177.584 0.084 0.000 1.187 360 A CA 0.211 52.301 52.037 0.088 0.000 0.823 360 A CB -0.136 18.901 19.000 0.062 0.000 0.846 360 A HN 0.218 nan 8.150 nan 0.000 0.486 361 R N -1.747 118.798 120.500 0.075 0.000 3.024 361 R HA 0.572 4.915 4.340 0.005 0.000 0.224 361 R C 0.248 176.602 176.300 0.091 0.000 1.490 361 R CA -0.354 55.787 56.100 0.067 0.000 1.057 361 R CB 0.431 30.759 30.300 0.046 0.000 1.723 361 R HN 0.076 nan 8.270 nan 0.000 0.520 362 V N 0.000 119.956 119.914 0.069 0.000 2.409 362 V HA 0.000 4.123 4.120 0.005 0.000 0.244 362 V CA 0.000 62.344 62.300 0.073 0.000 1.235 362 V CB 0.000 31.852 31.823 0.049 0.000 1.184 362 V HN 0.000 nan 8.190 nan 0.000 0.556