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 2j4d_1_B DATA FIRST_RESID 2 DATA SEQUENCE DHIHRVPALT EEEIDSVAIK TFERYALPSS SSVKRKGKGV TILWFRNDLR DATA SEQUENCE VLDNDALYKA WSSSDTILPV YCLDPRLFHT THFFNFPKTG ALRGGFLMEC DATA SEQUENCE LVDLRKNLMK RGLNLLIRSG KPEEILPSLA KDFGARTVFA HKETCSEEVD DATA SEQUENCE VERLVNQGLK RVGNSTKLEL IWGSTMYHKD DLPFDVFDLP DVYTQFRKSV DATA SEQUENCE EAKCSIRSST RIPLSLGPTP SVDDWGDVPT LEKLGVEPQE VTRGMRFVGG DATA SEQUENCE ESAGVGRVFE YFWKKDLLKV YKETRNGMLG PDYSTKFSPW LAFGCISPRF DATA SEQUENCE IYEEVQRYEK ERVANNSTYW VLFELIWRDY FRFLSIKCGN SLFHLGGPRN DATA SEQUENCE VQGKWSQDQK LFESWRDAKT GYPLIDANMK ELSTTGFMSN RGRQIVCSFL DATA SEQUENCE VRDMGLDWRM GAEWFETCLL DYDPCSNYGN WTYGAGVGND PREDRYFSIP DATA SEQUENCE KQAQNYDPEG EYVAFWLQQL RRLPKEKRHW PGRLMYMDTV VPLKHGNGP 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 2 D HA 0.000 nan 4.640 nan 0.000 0.175 2 D C 0.000 176.367 176.300 0.111 0.000 2.045 2 D CA 0.000 54.085 54.000 0.141 0.000 0.868 2 D CB 0.000 41.039 40.800 0.399 0.000 0.688 3 H N -1.245 117.848 119.070 0.039 0.000 4.915 3 H HA 0.549 5.106 4.556 0.001 0.000 0.308 3 H C -0.770 174.395 175.328 -0.272 0.000 1.250 3 H CA 0.060 56.031 56.048 -0.127 0.000 0.355 3 H CB -0.105 29.578 29.762 -0.131 0.000 1.442 3 H HN 0.256 nan 8.280 nan 0.000 0.543 4 I N 2.643 122.981 120.570 -0.386 0.000 2.312 4 I HA 0.203 4.374 4.170 0.001 0.000 0.290 4 I C -0.627 175.223 176.117 -0.445 0.000 1.008 4 I CA -0.223 60.819 61.300 -0.430 0.000 1.226 4 I CB 0.724 38.476 38.000 -0.413 0.000 1.371 4 I HN 0.375 nan 8.210 nan 0.000 0.468 5 H N 5.548 124.613 119.070 -0.008 0.000 2.581 5 H HA 0.407 4.963 4.556 0.001 0.000 0.308 5 H C -0.402 174.879 175.328 -0.079 0.000 1.040 5 H CA -0.772 55.253 56.048 -0.038 0.000 1.231 5 H CB 0.666 30.398 29.762 -0.050 0.000 1.396 5 H HN 0.379 nan 8.280 nan 0.000 0.467 6 R N 2.172 122.692 120.500 0.033 0.000 2.537 6 R HA 0.239 4.579 4.340 0.001 0.000 0.280 6 R C -0.716 175.570 176.300 -0.023 0.000 1.058 6 R CA -0.216 55.887 56.100 0.004 0.000 1.057 6 R CB 0.781 31.098 30.300 0.028 0.000 0.973 6 R HN 0.337 nan 8.270 nan 0.000 0.438 7 V N 6.100 125.974 119.914 -0.067 0.000 2.409 7 V HA 0.266 4.386 4.120 0.001 0.000 0.290 7 V C -1.893 174.367 176.094 0.277 0.000 1.017 7 V CA -1.900 60.370 62.300 -0.049 0.000 0.841 7 V CB 1.558 33.079 31.823 -0.504 0.000 1.003 7 V HN 0.746 nan 8.190 nan 0.000 0.426 8 P HA 0.226 nan 4.420 nan 0.000 0.274 8 P C 0.320 177.654 177.300 0.057 0.000 1.246 8 P CA -0.329 62.812 63.100 0.068 0.000 0.795 8 P CB 1.556 33.270 31.700 0.022 0.000 1.006 9 A N 1.618 124.466 122.820 0.046 0.000 2.238 9 A HA 0.124 4.444 4.320 0.001 0.000 0.208 9 A C 1.239 178.854 177.584 0.053 0.000 1.177 9 A CA 0.053 52.119 52.037 0.047 0.000 0.804 9 A CB -0.969 18.058 19.000 0.045 0.000 0.823 9 A HN 0.446 nan 8.150 nan 0.000 0.482 10 L N 1.105 122.365 121.223 0.061 0.000 2.467 10 L HA 0.168 4.509 4.340 0.001 0.000 0.270 10 L C 1.320 178.214 176.870 0.039 0.000 1.205 10 L CA -0.135 54.741 54.840 0.061 0.000 0.828 10 L CB 0.258 42.361 42.059 0.073 0.000 1.101 10 L HN 0.403 nan 8.230 nan 0.000 0.479 11 T N -2.093 112.479 114.554 0.030 0.000 2.828 11 T HA 0.086 4.436 4.350 0.001 0.000 0.290 11 T C 0.904 175.606 174.700 0.003 0.000 1.019 11 T CA -0.549 61.561 62.100 0.016 0.000 1.031 11 T CB 1.149 70.024 68.868 0.012 0.000 1.001 11 T HN 0.677 nan 8.240 nan 0.000 0.531 12 E N 0.300 120.498 120.200 -0.003 0.000 2.118 12 E HA -0.167 4.183 4.350 0.001 0.000 0.195 12 E C 2.131 178.714 176.600 -0.029 0.000 0.992 12 E CA 1.598 57.989 56.400 -0.015 0.000 0.804 12 E CB -0.045 29.647 29.700 -0.014 0.000 0.741 12 E HN 0.855 nan 8.360 nan 0.000 0.458 13 E N 0.177 120.362 120.200 -0.025 0.000 2.077 13 E HA -0.205 4.146 4.350 0.001 0.000 0.193 13 E C 1.885 178.455 176.600 -0.050 0.000 0.989 13 E CA 1.188 57.567 56.400 -0.035 0.000 0.800 13 E CB 0.094 29.779 29.700 -0.026 0.000 0.746 13 E HN 0.283 nan 8.360 nan 0.000 0.452 14 E N 0.270 120.448 120.200 -0.036 0.000 2.077 14 E HA -0.197 4.153 4.350 0.001 0.000 0.193 14 E C 2.163 178.711 176.600 -0.086 0.000 0.989 14 E CA 0.911 57.283 56.400 -0.046 0.000 0.800 14 E CB -0.102 29.602 29.700 0.006 0.000 0.746 14 E HN 0.327 nan 8.360 nan 0.000 0.452 15 I N 1.541 122.070 120.570 -0.068 0.000 2.179 15 I HA -0.276 3.895 4.170 0.001 0.000 0.242 15 I C 1.842 177.871 176.117 -0.147 0.000 1.088 15 I CA 1.243 62.484 61.300 -0.098 0.000 1.357 15 I CB -0.269 37.693 38.000 -0.065 0.000 1.051 15 I HN 0.016 nan 8.210 nan 0.000 0.409 16 D N 0.152 120.483 120.400 -0.116 0.000 2.123 16 D HA -0.192 4.448 4.640 0.001 0.000 0.196 16 D C 2.301 178.504 176.300 -0.163 0.000 0.992 16 D CA 1.534 55.460 54.000 -0.124 0.000 0.833 16 D CB -0.245 40.507 40.800 -0.080 0.000 0.954 16 D HN 0.148 nan 8.370 nan 0.000 0.455 17 S N -0.468 115.140 115.700 -0.154 0.000 2.356 17 S HA -0.134 4.337 4.470 0.001 0.000 0.223 17 S C 2.090 176.533 174.600 -0.262 0.000 1.032 17 S CA 1.165 59.259 58.200 -0.177 0.000 1.005 17 S CB -0.364 62.746 63.200 -0.150 0.000 0.867 17 S HN 0.068 nan 8.310 nan 0.000 0.449 18 V N 2.308 122.029 119.914 -0.322 0.000 2.295 18 V HA -0.112 4.008 4.120 0.001 0.000 0.246 18 V C 2.925 178.760 176.094 -0.432 0.000 1.049 18 V CA 1.749 63.781 62.300 -0.447 0.000 1.024 18 V CB -1.470 30.055 31.823 -0.497 0.000 0.648 18 V HN 0.625 nan 8.190 nan 0.000 0.447 19 A N 0.052 122.599 122.820 -0.455 0.000 1.883 19 A HA -0.223 4.097 4.320 0.001 0.000 0.217 19 A C 2.198 179.230 177.584 -0.920 0.000 1.186 19 A CA 2.173 53.749 52.037 -0.769 0.000 0.624 19 A CB -0.615 17.994 19.000 -0.653 0.000 0.822 19 A HN 0.504 nan 8.150 nan 0.000 0.444 20 I N -0.543 119.743 120.570 -0.473 0.000 2.163 20 I HA -0.306 3.864 4.170 0.001 0.000 0.243 20 I C 2.520 178.515 176.117 -0.202 0.000 1.085 20 I CA 1.769 62.925 61.300 -0.241 0.000 1.347 20 I CB -0.304 37.618 38.000 -0.129 0.000 1.044 20 I HN 0.321 nan 8.210 nan 0.000 0.408 21 K N 0.065 120.320 120.400 -0.241 0.000 2.097 21 K HA -0.134 4.186 4.320 0.001 0.000 0.206 21 K C 2.107 178.616 176.600 -0.153 0.000 1.049 21 K CA 1.851 58.023 56.287 -0.191 0.000 0.933 21 K CB -0.305 32.051 32.500 -0.239 0.000 0.717 21 K HN 0.346 nan 8.250 nan 0.000 0.442 22 T N 1.104 115.531 114.554 -0.212 0.000 2.708 22 T HA -0.088 4.262 4.350 0.001 0.000 0.266 22 T C 1.672 176.452 174.700 0.133 0.000 1.037 22 T CA 1.232 63.305 62.100 -0.045 0.000 1.146 22 T CB -0.360 68.418 68.868 -0.151 0.000 0.865 22 T HN 0.187 nan 8.240 nan 0.000 0.435 23 F N 1.606 121.548 119.950 -0.012 0.000 2.171 23 F HA -0.089 4.438 4.527 0.001 0.000 0.300 23 F C 2.721 178.517 175.800 -0.006 0.000 1.090 23 F CA 0.602 58.590 58.000 -0.019 0.000 1.293 23 F CB -0.294 38.666 39.000 -0.067 0.000 1.013 23 F HN 0.234 nan 8.300 nan 0.000 0.486 24 E N 0.370 120.656 120.200 0.142 0.000 2.072 24 E HA -0.224 4.127 4.350 0.001 0.000 0.191 24 E C 2.161 178.759 176.600 -0.004 0.000 0.985 24 E CA 0.709 57.136 56.400 0.045 0.000 0.801 24 E CB -0.374 29.320 29.700 -0.010 0.000 0.750 24 E HN 0.390 nan 8.360 nan 0.000 0.452 25 R N 0.406 120.878 120.500 -0.046 0.000 2.091 25 R HA -0.173 4.168 4.340 0.001 0.000 0.238 25 R C 1.365 177.490 176.300 -0.292 0.000 1.136 25 R CA 1.492 57.467 56.100 -0.208 0.000 0.959 25 R CB -0.093 30.014 30.300 -0.321 0.000 0.856 25 R HN 0.221 nan 8.270 nan 0.000 0.437 26 Y N -0.136 120.201 120.300 0.062 0.000 2.457 26 Y HA 0.370 4.920 4.550 0.001 0.000 0.263 26 Y C 0.747 176.662 175.900 0.024 0.000 1.164 26 Y CA -0.188 57.949 58.100 0.062 0.000 1.274 26 Y CB 0.406 38.925 38.460 0.099 0.000 1.097 26 Y HN 0.117 nan 8.280 nan 0.000 0.523 27 A N 1.241 124.129 122.820 0.113 0.000 2.531 27 A HA 0.108 4.429 4.320 0.001 0.000 0.236 27 A C -0.007 177.590 177.584 0.022 0.000 1.062 27 A CA -0.276 51.786 52.037 0.042 0.000 0.760 27 A CB 0.024 19.031 19.000 0.013 0.000 0.995 27 A HN 0.388 nan 8.150 nan 0.000 0.501 28 L N 4.650 125.871 121.223 -0.004 0.000 2.361 28 L HA 0.247 4.587 4.340 0.001 0.000 0.278 28 L C -1.675 175.197 176.870 0.003 0.000 1.113 28 L CA -1.815 53.029 54.840 0.007 0.000 0.849 28 L CB 1.106 43.168 42.059 0.004 0.000 1.155 28 L HN 0.537 nan 8.230 nan 0.000 0.452 29 P HA -0.071 nan 4.420 nan 0.000 0.258 29 P C 0.620 177.938 177.300 0.030 0.000 1.172 29 P CA 0.348 63.459 63.100 0.018 0.000 0.762 29 P CB 0.790 32.505 31.700 0.024 0.000 0.764 30 S N 4.149 119.862 115.700 0.022 0.000 1.974 30 S HA -0.297 4.173 4.470 0.001 0.000 0.536 30 S C 0.616 175.263 174.600 0.079 0.000 0.915 30 S CA 2.249 60.471 58.200 0.038 0.000 3.377 30 S CB -1.011 62.209 63.200 0.035 0.000 2.349 30 S HN 1.076 nan 8.310 nan 0.000 0.534 31 S N -0.926 114.822 115.700 0.080 0.000 3.282 31 S HA -0.034 4.437 4.470 0.001 0.000 0.856 31 S C -0.509 174.169 174.600 0.130 0.000 1.110 31 S CA 0.719 58.977 58.200 0.096 0.000 1.106 31 S CB -1.650 61.606 63.200 0.094 0.000 0.770 31 S HN 2.150 nan 8.310 nan 0.000 0.262 32 S N 2.211 117.966 115.700 0.092 0.000 2.621 32 S HA 0.874 5.345 4.470 0.001 0.000 0.302 32 S C 0.564 175.204 174.600 0.067 0.000 1.093 32 S CA 0.947 59.193 58.200 0.076 0.000 1.017 32 S CB 1.679 64.906 63.200 0.046 0.000 1.077 32 S HN 2.576 nan 8.310 nan 0.000 0.517 33 S N -0.283 115.446 115.700 0.049 0.000 4.175 33 S HA -0.183 4.287 4.470 0.001 0.000 0.111 33 S C 0.643 175.267 174.600 0.039 0.000 0.994 33 S CA 0.420 58.646 58.200 0.045 0.000 0.926 33 S CB -2.513 60.726 63.200 0.064 0.000 0.707 33 S HN 1.958 nan 8.310 nan 0.000 0.764 34 V N 1.392 121.322 119.914 0.027 0.000 2.263 34 V HA 0.540 4.660 4.120 0.001 0.000 0.188 34 V C 0.827 176.852 176.094 -0.115 0.000 0.949 34 V CA 2.223 64.490 62.300 -0.055 0.000 1.133 34 V CB -0.789 30.988 31.823 -0.077 0.000 0.705 34 V HN 1.133 nan 8.190 nan 0.000 0.463 35 K N -0.636 119.675 120.400 -0.148 0.000 2.573 35 K HA -0.029 4.291 4.320 0.001 0.000 0.550 35 K C 0.372 176.856 176.600 -0.193 0.000 1.111 35 K CA 0.867 57.078 56.287 -0.127 0.000 0.764 35 K CB -1.315 31.131 32.500 -0.091 0.000 2.118 35 K HN 0.718 nan 8.250 nan 0.000 0.429 36 R N 0.443 120.814 120.500 -0.215 0.000 2.279 36 R HA 0.150 4.491 4.340 0.001 0.000 0.195 36 R C 1.320 177.533 176.300 -0.145 0.000 0.905 36 R CA -0.077 55.874 56.100 -0.247 0.000 1.044 36 R CB 0.132 30.215 30.300 -0.361 0.000 1.056 36 R HN 0.157 nan 8.270 nan 0.000 0.535 37 K N 0.884 121.224 120.400 -0.100 0.000 2.030 37 K HA -0.202 4.119 4.320 0.001 0.000 0.222 37 K C 2.040 178.610 176.600 -0.049 0.000 1.056 37 K CA 2.082 58.333 56.287 -0.061 0.000 0.957 37 K CB -0.696 31.778 32.500 -0.043 0.000 0.727 37 K HN 0.318 nan 8.250 nan 0.000 0.452 38 G N 1.508 110.279 108.800 -0.048 0.000 2.559 38 G HA2 -0.197 3.764 3.960 0.001 0.000 0.216 38 G HA3 -0.197 3.764 3.960 0.001 0.000 0.216 38 G C 1.219 176.099 174.900 -0.033 0.000 1.126 38 G CA 0.353 45.433 45.100 -0.033 0.000 0.778 38 G HN 0.346 nan 8.290 nan 0.000 0.543 39 K N -0.050 120.320 120.400 -0.051 0.000 2.283 39 K HA 0.251 4.571 4.320 0.001 0.000 0.202 39 K C 1.512 178.101 176.600 -0.018 0.000 1.048 39 K CA 0.296 56.557 56.287 -0.044 0.000 0.948 39 K CB -0.091 32.358 32.500 -0.086 0.000 0.742 39 K HN 0.419 nan 8.250 nan 0.000 0.458 40 G N 0.510 109.304 108.800 -0.010 0.000 2.782 40 G HA2 -0.242 3.719 3.960 0.001 0.000 0.228 40 G HA3 -0.242 3.719 3.960 0.001 0.000 0.228 40 G C -0.494 174.423 174.900 0.028 0.000 1.372 40 G CA -0.657 44.451 45.100 0.014 0.000 0.862 40 G HN -0.005 nan 8.290 nan 0.000 0.547 41 V N 0.454 120.399 119.914 0.052 0.000 2.607 41 V HA 0.700 4.821 4.120 0.001 0.000 0.289 41 V C 0.964 177.105 176.094 0.079 0.000 1.053 41 V CA 0.743 63.084 62.300 0.068 0.000 0.996 41 V CB 1.415 33.298 31.823 0.100 0.000 0.995 41 V HN 1.264 nan 8.190 nan 0.000 0.476 42 T N 5.076 119.683 114.554 0.088 0.000 2.909 42 T HA 0.675 5.026 4.350 0.001 0.000 0.299 42 T C -1.003 173.771 174.700 0.124 0.000 1.073 42 T CA -0.446 61.736 62.100 0.138 0.000 0.999 42 T CB 1.126 70.123 68.868 0.215 0.000 1.098 42 T HN 0.408 nan 8.240 nan 0.000 0.477 43 I N 4.066 124.722 120.570 0.143 0.000 2.378 43 I HA 0.451 4.621 4.170 0.001 0.000 0.291 43 I C -0.834 175.397 176.117 0.190 0.000 0.992 43 I CA -1.022 60.352 61.300 0.123 0.000 1.154 43 I CB 1.784 39.831 38.000 0.078 0.000 1.315 43 I HN 0.390 nan 8.210 nan 0.000 0.448 44 L N 7.739 129.062 121.223 0.165 0.000 2.262 44 L HA 0.378 4.719 4.340 0.001 0.000 0.288 44 L C -1.149 175.815 176.870 0.158 0.000 1.035 44 L CA -0.165 54.738 54.840 0.104 0.000 0.820 44 L CB 0.704 42.746 42.059 -0.028 0.000 1.204 44 L HN 0.579 nan 8.230 nan 0.000 0.424 45 W N 7.223 128.493 121.300 -0.050 0.000 2.311 45 W HA 0.415 5.076 4.660 0.001 0.000 0.317 45 W C -1.350 175.164 176.519 -0.010 0.000 1.065 45 W CA -1.561 55.793 57.345 0.015 0.000 1.364 45 W CB 0.217 29.688 29.460 0.019 0.000 1.233 45 W HN 0.347 nan 8.180 nan 0.000 0.409 46 F N 6.467 126.557 119.950 0.234 0.000 2.399 46 F HA 0.416 4.944 4.527 0.001 0.000 0.342 46 F C 1.393 177.209 175.800 0.027 0.000 1.106 46 F CA 0.105 58.185 58.000 0.133 0.000 1.196 46 F CB 1.038 40.222 39.000 0.308 0.000 1.163 46 F HN 0.399 nan 8.300 nan 0.000 0.547 47 R N 0.870 121.466 120.500 0.161 0.000 2.588 47 R HA 0.238 4.579 4.340 0.001 0.000 0.115 47 R C -0.076 176.368 176.300 0.240 0.000 1.578 47 R CA -0.524 55.636 56.100 0.101 0.000 1.329 47 R CB 0.068 30.216 30.300 -0.254 0.000 1.152 47 R HN 0.375 nan 8.270 nan 0.000 0.437 48 N N 2.318 121.067 118.700 0.081 0.000 2.671 48 N HA 0.065 4.806 4.740 0.001 0.000 0.303 48 N C -1.255 174.293 175.510 0.064 0.000 1.351 48 N CA 0.320 53.413 53.050 0.072 0.000 0.991 48 N CB 0.663 39.099 38.487 -0.085 0.000 1.307 48 N HN 0.360 nan 8.380 nan 0.000 0.512 49 D N -0.579 119.928 120.400 0.178 0.000 2.952 49 D HA 0.042 4.683 4.640 0.001 0.000 0.373 49 D C 0.104 176.615 176.300 0.353 0.000 1.360 49 D CA -0.299 53.807 54.000 0.176 0.000 0.788 49 D CB -0.632 40.269 40.800 0.168 0.000 1.192 49 D HN 0.080 nan 8.370 nan 0.000 0.462 50 L N 1.688 123.058 121.223 0.244 0.000 2.388 50 L HA 0.235 4.575 4.340 0.001 0.000 0.252 50 L C 0.631 177.514 176.870 0.021 0.000 1.357 50 L CA 0.194 55.072 54.840 0.064 0.000 1.214 50 L CB -0.869 41.175 42.059 -0.026 0.000 1.392 50 L HN 0.192 nan 8.230 nan 0.000 0.432 51 R N -0.812 119.750 120.500 0.104 0.000 2.733 51 R HA 0.524 4.865 4.340 0.001 0.000 0.272 51 R C -0.680 175.662 176.300 0.071 0.000 1.029 51 R CA -1.035 55.086 56.100 0.035 0.000 0.888 51 R CB 1.402 31.716 30.300 0.023 0.000 1.251 51 R HN -0.163 nan 8.270 nan 0.000 0.464 52 V N 0.523 120.397 119.914 -0.066 0.000 2.922 52 V HA 0.193 4.313 4.120 0.001 0.000 0.242 52 V C 1.050 177.066 176.094 -0.130 0.000 1.094 52 V CA 0.254 62.487 62.300 -0.112 0.000 1.106 52 V CB -0.029 31.605 31.823 -0.315 0.000 0.799 52 V HN 0.473 nan 8.190 nan 0.000 0.474 53 L N 1.281 122.399 121.223 -0.175 0.000 2.483 53 L HA 0.113 4.453 4.340 0.001 0.000 0.276 53 L C 0.865 177.671 176.870 -0.107 0.000 1.213 53 L CA 0.408 55.146 54.840 -0.170 0.000 0.843 53 L CB -0.235 41.660 42.059 -0.274 0.000 1.107 53 L HN 0.359 nan 8.230 nan 0.000 0.487 54 D N 1.837 122.188 120.400 -0.081 0.000 2.720 54 D HA -0.262 4.379 4.640 0.001 0.000 0.229 54 D C -0.305 176.013 176.300 0.029 0.000 1.198 54 D CA 0.597 54.583 54.000 -0.022 0.000 0.639 54 D CB -0.643 40.145 40.800 -0.021 0.000 1.003 54 D HN 0.501 nan 8.370 nan 0.000 0.411 55 N N 0.957 119.693 118.700 0.059 0.000 2.564 55 N HA 0.129 4.870 4.740 0.001 0.000 0.248 55 N C 0.245 175.845 175.510 0.150 0.000 0.986 55 N CA -0.535 52.601 53.050 0.143 0.000 0.921 55 N CB 1.122 39.688 38.487 0.132 0.000 1.136 55 N HN -0.012 nan 8.380 nan 0.000 0.509 56 D N 2.399 122.917 120.400 0.196 0.000 2.178 56 D HA -0.078 4.563 4.640 0.001 0.000 0.201 56 D C 1.581 177.903 176.300 0.037 0.000 0.980 56 D CA 0.920 55.013 54.000 0.155 0.000 0.842 56 D CB 0.184 41.106 40.800 0.205 0.000 0.948 56 D HN 0.678 nan 8.370 nan 0.000 0.472 57 A N 0.814 123.538 122.820 -0.160 0.000 1.877 57 A HA -0.150 4.171 4.320 0.001 0.000 0.216 57 A C 2.158 179.598 177.584 -0.239 0.000 1.186 57 A CA 1.061 52.919 52.037 -0.298 0.000 0.620 57 A CB -0.721 17.922 19.000 -0.595 0.000 0.822 57 A HN 0.260 nan 8.150 nan 0.000 0.443 58 L N -1.648 119.490 121.223 -0.141 0.000 2.017 58 L HA -0.149 4.192 4.340 0.001 0.000 0.208 58 L C 2.302 179.143 176.870 -0.049 0.000 1.073 58 L CA 2.472 57.255 54.840 -0.094 0.000 0.745 58 L CB -1.008 41.043 42.059 -0.013 0.000 0.894 58 L HN 0.503 nan 8.230 nan 0.000 0.432 59 Y N 0.506 120.764 120.300 -0.071 0.000 2.128 59 Y HA -0.284 4.266 4.550 0.001 0.000 0.284 59 Y C 2.483 178.384 175.900 0.001 0.000 1.154 59 Y CA 2.290 60.400 58.100 0.016 0.000 1.149 59 Y CB -0.146 38.327 38.460 0.021 0.000 0.976 59 Y HN 0.198 nan 8.280 nan 0.000 0.505 60 K N -0.279 120.065 120.400 -0.093 0.000 2.097 60 K HA -0.141 4.180 4.320 0.001 0.000 0.206 60 K C 2.318 178.435 176.600 -0.805 0.000 1.049 60 K CA 1.045 57.123 56.287 -0.347 0.000 0.933 60 K CB -0.346 31.971 32.500 -0.304 0.000 0.717 60 K HN 0.404 nan 8.250 nan 0.000 0.442 61 A N 0.701 122.943 122.820 -0.963 0.000 1.898 61 A HA -0.188 4.133 4.320 0.001 0.000 0.216 61 A C 1.930 179.336 177.584 -0.296 0.000 1.181 61 A CA 1.242 52.794 52.037 -0.809 0.000 0.620 61 A CB -0.845 17.913 19.000 -0.403 0.000 0.819 61 A HN 0.592 nan 8.150 nan 0.000 0.442 62 W N 1.951 123.018 121.300 -0.389 0.000 2.354 62 W HA -0.237 4.424 4.660 0.001 0.000 0.315 62 W C 2.565 178.894 176.519 -0.316 0.000 1.206 62 W CA 2.729 59.892 57.345 -0.304 0.000 1.290 62 W CB -0.420 28.846 29.460 -0.322 0.000 1.152 62 W HN 0.392 nan 8.180 nan 0.000 0.489 63 S N -0.544 114.854 115.700 -0.502 0.000 2.481 63 S HA -0.114 4.356 4.470 0.001 0.000 0.231 63 S C 1.513 175.876 174.600 -0.394 0.000 0.996 63 S CA 1.008 58.828 58.200 -0.634 0.000 0.942 63 S CB -0.960 61.962 63.200 -0.464 0.000 0.768 63 S HN 0.293 nan 8.310 nan 0.000 0.520 64 S N 0.650 116.181 115.700 -0.281 0.000 2.575 64 S HA 0.484 4.954 4.470 0.001 0.000 0.237 64 S C 0.336 174.886 174.600 -0.084 0.000 0.975 64 S CA -0.061 58.069 58.200 -0.117 0.000 0.960 64 S CB -0.206 63.019 63.200 0.042 0.000 0.822 64 S HN 0.704 nan 8.310 nan 0.000 0.472 65 S N 0.721 116.313 115.700 -0.179 0.000 2.688 65 S HA 0.598 5.068 4.470 0.001 0.000 0.275 65 S C -0.825 173.665 174.600 -0.184 0.000 1.175 65 S CA -0.156 57.975 58.200 -0.116 0.000 0.818 65 S CB 1.109 64.284 63.200 -0.042 0.000 1.157 65 S HN 0.211 nan 8.310 nan 0.000 0.482 66 D N -1.186 119.152 120.400 -0.102 0.000 2.500 66 D HA 0.283 4.924 4.640 0.001 0.000 0.218 66 D C -0.149 176.132 176.300 -0.033 0.000 1.140 66 D CA 0.070 54.012 54.000 -0.097 0.000 0.830 66 D CB 0.555 41.318 40.800 -0.063 0.000 1.055 66 D HN 0.516 nan 8.370 nan 0.000 0.512 67 T N 0.380 114.932 114.554 -0.004 0.000 3.032 67 T HA 0.519 4.869 4.350 0.001 0.000 0.312 67 T C -0.817 173.915 174.700 0.053 0.000 1.078 67 T CA -0.548 61.576 62.100 0.040 0.000 1.028 67 T CB 1.789 70.689 68.868 0.053 0.000 1.091 67 T HN 0.020 nan 8.240 nan 0.000 0.457 68 I N 2.846 123.463 120.570 0.079 0.000 2.509 68 I HA 0.551 4.722 4.170 0.001 0.000 0.293 68 I C -1.080 175.093 176.117 0.093 0.000 1.020 68 I CA -1.138 60.215 61.300 0.089 0.000 1.088 68 I CB 2.097 40.166 38.000 0.115 0.000 1.267 68 I HN 0.340 nan 8.210 nan 0.000 0.430 69 L N 8.872 130.135 121.223 0.067 0.000 2.366 69 L HA 0.600 4.941 4.340 0.001 0.000 0.266 69 L C -2.676 174.280 176.870 0.143 0.000 1.010 69 L CA -1.817 53.050 54.840 0.046 0.000 0.879 69 L CB 0.882 42.821 42.059 -0.199 0.000 1.228 69 L HN 0.222 nan 8.230 nan 0.000 0.439 70 P HA 0.346 nan 4.420 nan 0.000 0.276 70 P C -1.261 176.272 177.300 0.388 0.000 1.235 70 P CA -0.084 63.229 63.100 0.355 0.000 0.772 70 P CB 1.370 33.310 31.700 0.400 0.000 0.871 71 V N 4.031 124.213 119.914 0.448 0.000 2.888 71 V HA 0.420 4.541 4.120 0.001 0.000 0.309 71 V C -1.293 175.139 176.094 0.562 0.000 1.114 71 V CA -0.672 61.872 62.300 0.407 0.000 0.940 71 V CB 2.123 34.090 31.823 0.242 0.000 1.021 71 V HN 0.392 nan 8.190 nan 0.000 0.426 72 Y N 3.147 123.656 120.300 0.349 0.000 2.361 72 Y HA 0.653 5.203 4.550 0.001 0.000 0.337 72 Y C -0.459 175.608 175.900 0.277 0.000 0.965 72 Y CA -0.717 57.596 58.100 0.355 0.000 1.091 72 Y CB 1.614 40.214 38.460 0.234 0.000 1.182 72 Y HN 0.708 nan 8.280 nan 0.000 0.450 73 C N 7.431 126.502 119.300 -0.382 0.000 2.273 73 C HA 0.411 4.871 4.460 0.001 0.000 0.328 73 C C -0.001 174.753 174.990 -0.392 0.000 1.275 73 C CA -1.084 57.794 59.018 -0.233 0.000 1.704 73 C CB -0.034 27.644 27.740 -0.104 0.000 2.326 73 C HN 0.851 nan 8.230 nan 0.000 0.517 74 L N 4.276 125.476 121.223 -0.038 0.000 2.385 74 L HA 0.200 4.540 4.340 0.001 0.000 0.285 74 L C 0.341 177.292 176.870 0.135 0.000 1.125 74 L CA 0.534 55.478 54.840 0.174 0.000 0.890 74 L CB -0.272 41.974 42.059 0.313 0.000 1.251 74 L HN 0.632 nan 8.230 nan 0.000 0.445 75 D N 7.030 127.486 120.400 0.093 0.000 2.382 75 D HA 0.045 4.686 4.640 0.001 0.000 0.259 75 D C -1.441 174.909 176.300 0.083 0.000 1.224 75 D CA -1.515 52.521 54.000 0.059 0.000 0.894 75 D CB 1.550 42.367 40.800 0.028 0.000 1.127 75 D HN 0.371 nan 8.370 nan 0.000 0.487 76 P HA -0.161 nan 4.420 nan 0.000 0.218 76 P C 0.929 177.992 177.300 -0.396 0.000 1.148 76 P CA 0.936 64.031 63.100 -0.008 0.000 0.822 76 P CB 0.393 32.114 31.700 0.035 0.000 0.784 77 R N -0.540 119.713 120.500 -0.411 0.000 2.152 77 R HA -0.038 4.303 4.340 0.001 0.000 0.232 77 R C 2.301 178.377 176.300 -0.373 0.000 1.117 77 R CA 0.484 56.246 56.100 -0.563 0.000 0.981 77 R CB -1.399 28.795 30.300 -0.177 0.000 0.870 77 R HN 0.151 nan 8.270 nan 0.000 0.451 78 L N -0.340 120.710 121.223 -0.288 0.000 2.353 78 L HA -0.022 4.318 4.340 0.001 0.000 0.220 78 L C 0.303 176.745 176.870 -0.714 0.000 1.133 78 L CA 1.586 56.163 54.840 -0.437 0.000 0.798 78 L CB 0.020 41.796 42.059 -0.472 0.000 0.922 78 L HN 0.060 nan 8.230 nan 0.000 0.445 79 F N -2.238 117.661 119.950 -0.085 0.000 2.805 79 F HA 0.277 4.805 4.527 0.001 0.000 0.317 79 F C 1.327 177.200 175.800 0.123 0.000 1.146 79 F CA -0.477 57.537 58.000 0.022 0.000 1.265 79 F CB -0.278 38.751 39.000 0.048 0.000 0.992 79 F HN 0.106 nan 8.300 nan 0.000 0.511 80 H N -0.757 118.379 119.070 0.110 0.000 3.780 80 H HA 0.459 5.016 4.556 0.001 0.000 0.122 80 H C 0.639 176.001 175.328 0.057 0.000 1.563 80 H CA 0.188 56.282 56.048 0.078 0.000 1.505 80 H CB 0.303 30.085 29.762 0.033 0.000 0.874 80 H HN 0.034 nan 8.280 nan 0.000 0.633 81 T N -0.665 113.992 114.554 0.171 0.000 2.887 81 T HA 0.288 4.638 4.350 0.001 0.000 0.292 81 T C -0.040 174.663 174.700 0.004 0.000 1.087 81 T CA -0.883 61.265 62.100 0.080 0.000 1.009 81 T CB 1.576 70.467 68.868 0.038 0.000 1.203 81 T HN 0.588 nan 8.240 nan 0.000 0.518 82 T N -1.168 113.378 114.554 -0.012 0.000 2.856 82 T HA 0.166 4.517 4.350 0.001 0.000 0.306 82 T C 1.117 175.709 174.700 -0.180 0.000 1.062 82 T CA 0.142 62.201 62.100 -0.069 0.000 1.083 82 T CB 0.384 69.238 68.868 -0.024 0.000 0.984 82 T HN 0.872 nan 8.240 nan 0.000 0.542 83 H N 0.814 119.664 119.070 -0.366 0.000 2.319 83 H HA -0.043 4.514 4.556 0.001 0.000 0.299 83 H C 1.073 175.929 175.328 -0.785 0.000 1.092 83 H CA 2.201 57.877 56.048 -0.621 0.000 1.302 83 H CB -0.148 29.105 29.762 -0.849 0.000 1.373 83 H HN 0.649 nan 8.280 nan 0.000 0.497 84 F N -2.280 117.382 119.950 -0.481 0.000 2.602 84 F HA 0.184 4.711 4.527 0.001 0.000 0.284 84 F C 0.808 175.794 175.800 -1.357 0.000 1.111 84 F CA -0.063 57.367 58.000 -0.951 0.000 1.405 84 F CB 0.324 38.634 39.000 -1.150 0.000 1.121 84 F HN 0.047 nan 8.300 nan 0.000 0.603 85 F N -0.114 119.590 119.950 -0.411 0.000 2.668 85 F HA 0.269 4.797 4.527 0.001 0.000 0.301 85 F C 0.001 175.364 175.800 -0.728 0.000 1.106 85 F CA -1.097 56.498 58.000 -0.674 0.000 1.289 85 F CB -1.310 37.037 39.000 -1.089 0.000 1.006 85 F HN -0.184 nan 8.300 nan 0.000 0.535 86 N N 0.892 119.337 118.700 -0.424 0.000 2.700 86 N HA -0.249 4.492 4.740 0.001 0.000 0.265 86 N C -0.709 174.823 175.510 0.037 0.000 0.975 86 N CA 0.419 53.358 53.050 -0.184 0.000 0.800 86 N CB -1.336 37.083 38.487 -0.112 0.000 0.908 86 N HN 0.077 nan 8.380 nan 0.000 0.551 87 F N -0.186 119.868 119.950 0.172 0.000 2.362 87 F HA 0.460 4.988 4.527 0.001 0.000 0.311 87 F C -1.473 174.429 175.800 0.170 0.000 1.161 87 F CA -2.832 55.313 58.000 0.242 0.000 1.085 87 F CB -0.401 38.834 39.000 0.391 0.000 1.311 87 F HN -0.115 nan 8.300 nan 0.000 0.524 88 P HA 0.045 nan 4.420 nan 0.000 0.267 88 P C 0.368 177.764 177.300 0.160 0.000 1.205 88 P CA 0.031 63.276 63.100 0.240 0.000 0.765 88 P CB 0.665 32.497 31.700 0.219 0.000 0.828 89 K N 2.359 122.819 120.400 0.099 0.000 2.074 89 K HA -0.077 4.243 4.320 0.001 0.000 0.209 89 K C 0.109 176.661 176.600 -0.080 0.000 1.048 89 K CA 1.857 58.138 56.287 -0.010 0.000 0.926 89 K CB -0.422 32.045 32.500 -0.054 0.000 0.713 89 K HN 0.396 nan 8.250 nan 0.000 0.444 90 T N 0.544 115.070 114.554 -0.048 0.000 2.906 90 T HA 0.503 4.854 4.350 0.001 0.000 0.302 90 T C -0.210 174.550 174.700 0.100 0.000 1.002 90 T CA -0.537 61.538 62.100 -0.041 0.000 0.988 90 T CB 1.515 70.253 68.868 -0.216 0.000 0.972 90 T HN 0.314 nan 8.240 nan 0.000 0.447 91 G N 1.210 110.033 108.800 0.038 0.000 2.636 91 G HA2 0.441 4.401 3.960 0.001 0.000 0.246 91 G HA3 0.441 4.401 3.960 0.001 0.000 0.246 91 G C 1.227 176.192 174.900 0.108 0.000 1.216 91 G CA -0.134 44.992 45.100 0.044 0.000 0.854 91 G HN 0.837 nan 8.290 nan 0.000 0.572 92 A N 0.540 123.419 122.820 0.097 0.000 1.908 92 A HA -0.081 4.240 4.320 0.001 0.000 0.218 92 A C 2.445 180.088 177.584 0.098 0.000 1.181 92 A CA 1.524 53.625 52.037 0.106 0.000 0.627 92 A CB -0.470 18.579 19.000 0.082 0.000 0.818 92 A HN 0.570 nan 8.150 nan 0.000 0.445 93 L N -1.370 119.891 121.223 0.063 0.000 2.017 93 L HA -0.182 4.158 4.340 0.001 0.000 0.208 93 L C 2.827 179.753 176.870 0.092 0.000 1.073 93 L CA 1.925 56.804 54.840 0.064 0.000 0.745 93 L CB -0.501 41.572 42.059 0.024 0.000 0.894 93 L HN 0.459 nan 8.230 nan 0.000 0.432 94 R N 0.280 120.832 120.500 0.086 0.000 2.115 94 R HA -0.106 4.234 4.340 0.001 0.000 0.230 94 R C 2.261 178.712 176.300 0.250 0.000 1.111 94 R CA 1.205 57.405 56.100 0.165 0.000 0.976 94 R CB -0.364 30.039 30.300 0.172 0.000 0.870 94 R HN 0.369 nan 8.270 nan 0.000 0.445 95 G N -0.525 108.419 108.800 0.241 0.000 2.418 95 G HA2 -0.223 3.738 3.960 0.001 0.000 0.217 95 G HA3 -0.223 3.738 3.960 0.001 0.000 0.217 95 G C 1.405 176.410 174.900 0.175 0.000 1.158 95 G CA 0.728 46.008 45.100 0.301 0.000 0.771 95 G HN 0.498 nan 8.290 nan 0.000 0.545 96 G N 0.231 109.109 108.800 0.130 0.000 2.402 96 G HA2 -0.166 3.795 3.960 0.001 0.000 0.216 96 G HA3 -0.166 3.795 3.960 0.001 0.000 0.216 96 G C 1.612 176.537 174.900 0.041 0.000 1.162 96 G CA 0.803 45.948 45.100 0.074 0.000 0.777 96 G HN 0.332 nan 8.290 nan 0.000 0.539 97 F N 0.995 120.883 119.950 -0.104 0.000 2.126 97 F HA -0.072 4.456 4.527 0.001 0.000 0.299 97 F C 2.343 177.896 175.800 -0.410 0.000 1.096 97 F CA 1.459 59.317 58.000 -0.237 0.000 1.255 97 F CB -0.258 38.575 39.000 -0.277 0.000 0.997 97 F HN 0.129 nan 8.300 nan 0.000 0.479 98 L N 0.134 121.204 121.223 -0.255 0.000 2.012 98 L HA -0.259 4.081 4.340 0.001 0.000 0.210 98 L C 2.130 178.823 176.870 -0.295 0.000 1.073 98 L CA 1.909 56.514 54.840 -0.392 0.000 0.748 98 L CB -0.840 41.245 42.059 0.044 0.000 0.891 98 L HN 0.118 nan 8.230 nan 0.000 0.431 99 M N -0.475 119.034 119.600 -0.152 0.000 2.108 99 M HA -0.197 4.284 4.480 0.001 0.000 0.261 99 M C 2.207 178.386 176.300 -0.203 0.000 1.066 99 M CA 1.613 56.832 55.300 -0.135 0.000 1.107 99 M CB -1.400 31.161 32.600 -0.064 0.000 1.356 99 M HN 0.396 nan 8.290 nan 0.000 0.406 100 E N -0.455 119.594 120.200 -0.252 0.000 2.110 100 E HA -0.175 4.176 4.350 0.001 0.000 0.193 100 E C 2.206 178.607 176.600 -0.332 0.000 0.988 100 E CA 1.455 57.693 56.400 -0.270 0.000 0.804 100 E CB -0.219 29.302 29.700 -0.299 0.000 0.745 100 E HN 0.485 nan 8.360 nan 0.000 0.458 101 C N 0.765 119.777 119.300 -0.480 0.000 2.413 101 C HA -0.122 4.339 4.460 0.001 0.000 0.276 101 C C 2.598 177.392 174.990 -0.327 0.000 1.248 101 C CA 0.480 59.238 59.018 -0.434 0.000 1.742 101 C CB -0.934 26.479 27.740 -0.546 0.000 2.017 101 C HN 0.392 nan 8.230 nan 0.000 0.481 102 L N 0.231 121.252 121.223 -0.336 0.000 2.056 102 L HA -0.118 4.222 4.340 0.001 0.000 0.207 102 L C 2.625 179.362 176.870 -0.223 0.000 1.078 102 L CA 1.151 55.802 54.840 -0.314 0.000 0.749 102 L CB -0.836 41.038 42.059 -0.309 0.000 0.901 102 L HN 0.192 nan 8.230 nan 0.000 0.433 103 V N 0.229 120.034 119.914 -0.182 0.000 2.287 103 V HA -0.352 3.768 4.120 0.001 0.000 0.248 103 V C 2.220 178.231 176.094 -0.138 0.000 1.053 103 V CA 2.319 64.538 62.300 -0.135 0.000 1.027 103 V CB -0.520 31.235 31.823 -0.113 0.000 0.646 103 V HN 0.491 nan 8.190 nan 0.000 0.447 104 D N -0.442 119.868 120.400 -0.150 0.000 2.117 104 D HA -0.179 4.462 4.640 0.001 0.000 0.197 104 D C 1.943 178.159 176.300 -0.140 0.000 0.987 104 D CA 1.191 55.117 54.000 -0.123 0.000 0.829 104 D CB -0.141 40.591 40.800 -0.113 0.000 0.961 104 D HN 0.278 nan 8.370 nan 0.000 0.460 105 L N 0.856 121.960 121.223 -0.198 0.000 2.017 105 L HA -0.076 4.265 4.340 0.001 0.000 0.208 105 L C 2.327 179.058 176.870 -0.232 0.000 1.073 105 L CA 1.793 56.481 54.840 -0.253 0.000 0.745 105 L CB -0.729 41.092 42.059 -0.397 0.000 0.894 105 L HN -0.025 nan 8.230 nan 0.000 0.432 106 R N -0.214 120.162 120.500 -0.206 0.000 2.083 106 R HA -0.250 4.091 4.340 0.001 0.000 0.237 106 R C 2.459 178.657 176.300 -0.170 0.000 1.137 106 R CA 2.057 58.048 56.100 -0.183 0.000 0.951 106 R CB -0.347 29.864 30.300 -0.147 0.000 0.851 106 R HN 0.458 nan 8.270 nan 0.000 0.434 107 K N 0.184 120.501 120.400 -0.138 0.000 2.009 107 K HA -0.170 4.150 4.320 0.001 0.000 0.210 107 K C 1.734 178.269 176.600 -0.109 0.000 1.049 107 K CA 1.991 58.212 56.287 -0.111 0.000 0.929 107 K CB -0.145 32.307 32.500 -0.079 0.000 0.714 107 K HN 0.236 nan 8.250 nan 0.000 0.440 108 N N 0.877 119.512 118.700 -0.109 0.000 2.223 108 N HA -0.139 4.602 4.740 0.001 0.000 0.185 108 N C 1.890 177.290 175.510 -0.183 0.000 1.016 108 N CA 1.026 53.996 53.050 -0.132 0.000 0.863 108 N CB -0.151 38.248 38.487 -0.147 0.000 0.983 108 N HN 0.249 nan 8.380 nan 0.000 0.429 109 L N 0.403 121.522 121.223 -0.174 0.000 2.056 109 L HA -0.030 4.310 4.340 0.001 0.000 0.207 109 L C 2.358 179.130 176.870 -0.163 0.000 1.078 109 L CA 0.813 55.558 54.840 -0.158 0.000 0.749 109 L CB -0.266 41.709 42.059 -0.141 0.000 0.901 109 L HN 0.114 nan 8.230 nan 0.000 0.433 110 M N -0.529 118.963 119.600 -0.180 0.000 2.159 110 M HA -0.226 4.255 4.480 0.001 0.000 0.263 110 M C 2.136 178.359 176.300 -0.129 0.000 1.063 110 M CA 1.704 56.898 55.300 -0.177 0.000 1.110 110 M CB -0.312 32.177 32.600 -0.184 0.000 1.374 110 M HN 0.098 nan 8.290 nan 0.000 0.411 111 K N -0.071 120.261 120.400 -0.114 0.000 2.280 111 K HA -0.100 4.221 4.320 0.001 0.000 0.202 111 K C 1.427 177.968 176.600 -0.098 0.000 1.047 111 K CA 0.780 57.014 56.287 -0.089 0.000 0.942 111 K CB -0.097 32.362 32.500 -0.067 0.000 0.739 111 K HN 0.386 nan 8.250 nan 0.000 0.457 112 R N -0.331 120.095 120.500 -0.123 0.000 2.427 112 R HA 0.082 4.423 4.340 0.001 0.000 0.262 112 R C 0.769 177.018 176.300 -0.086 0.000 0.943 112 R CA 0.586 56.613 56.100 -0.122 0.000 1.081 112 R CB 0.885 31.084 30.300 -0.168 0.000 1.166 112 R HN 0.359 nan 8.270 nan 0.000 0.534 113 G N 1.140 109.893 108.800 -0.078 0.000 2.157 113 G HA2 -0.246 3.714 3.960 0.001 0.000 0.248 113 G HA3 -0.246 3.714 3.960 0.001 0.000 0.248 113 G C 0.149 175.017 174.900 -0.055 0.000 0.979 113 G CA 0.051 45.120 45.100 -0.051 0.000 0.650 113 G HN 0.193 nan 8.290 nan 0.000 0.529 114 L N -1.394 119.773 121.223 -0.094 0.000 2.535 114 L HA 0.793 5.134 4.340 0.001 0.000 0.259 114 L C 0.557 177.264 176.870 -0.271 0.000 1.263 114 L CA -1.167 53.609 54.840 -0.107 0.000 1.282 114 L CB 1.366 43.400 42.059 -0.042 0.000 1.901 114 L HN 0.183 nan 8.230 nan 0.000 0.572 115 N N -0.700 117.790 118.700 -0.350 0.000 3.261 115 N HA 0.379 5.119 4.740 0.001 0.000 0.248 115 N C -2.229 173.086 175.510 -0.324 0.000 1.498 115 N CA -0.446 52.227 53.050 -0.629 0.000 0.884 115 N CB 1.792 39.292 38.487 -1.646 0.000 1.428 115 N HN 0.313 nan 8.380 nan 0.000 0.517 116 L N 2.024 123.112 121.223 -0.226 0.000 2.372 116 L HA 0.570 4.910 4.340 0.001 0.000 0.273 116 L C -1.347 175.746 176.870 0.371 0.000 0.989 116 L CA -0.652 54.249 54.840 0.102 0.000 0.841 116 L CB 1.083 43.133 42.059 -0.014 0.000 1.225 116 L HN 0.531 nan 8.230 nan 0.000 0.414 117 L N 6.423 127.976 121.223 0.551 0.000 2.313 117 L HA 0.504 4.844 4.340 0.001 0.000 0.282 117 L C -0.767 176.288 176.870 0.310 0.000 1.092 117 L CA 0.559 55.678 54.840 0.466 0.000 0.831 117 L CB 0.266 42.466 42.059 0.234 0.000 1.159 117 L HN 0.536 nan 8.230 nan 0.000 0.442 118 I N 6.123 126.852 120.570 0.265 0.000 2.378 118 I HA 0.537 4.707 4.170 0.001 0.000 0.291 118 I C -0.146 176.078 176.117 0.178 0.000 0.992 118 I CA -0.750 60.698 61.300 0.246 0.000 1.154 118 I CB 1.097 39.230 38.000 0.220 0.000 1.315 118 I HN 0.536 nan 8.210 nan 0.000 0.448 119 R N 3.542 124.139 120.500 0.161 0.000 2.725 119 R HA 0.502 4.842 4.340 0.001 0.000 0.277 119 R C -1.235 175.120 176.300 0.092 0.000 0.987 119 R CA -0.854 55.306 56.100 0.100 0.000 0.901 119 R CB 2.487 32.825 30.300 0.063 0.000 1.207 119 R HN 0.481 nan 8.270 nan 0.000 0.463 120 S N 0.275 116.019 115.700 0.074 0.000 2.480 120 S HA 0.816 5.286 4.470 0.001 0.000 0.286 120 S C 0.078 174.705 174.600 0.046 0.000 1.180 120 S CA 0.051 58.294 58.200 0.072 0.000 1.075 120 S CB 1.618 64.856 63.200 0.064 0.000 0.996 120 S HN 0.868 nan 8.310 nan 0.000 0.487 121 G N 2.621 111.447 108.800 0.043 0.000 2.361 121 G HA2 0.069 4.030 3.960 0.001 0.000 0.331 121 G HA3 0.069 4.030 3.960 0.001 0.000 0.331 121 G C -1.888 173.012 174.900 0.001 0.000 1.324 121 G CA -1.150 43.963 45.100 0.023 0.000 0.984 121 G HN 0.569 nan 8.290 nan 0.000 0.586 122 K N 1.103 121.497 120.400 -0.011 0.000 2.322 122 K HA 0.321 4.642 4.320 0.001 0.000 0.283 122 K C -1.694 174.856 176.600 -0.083 0.000 1.042 122 K CA -1.315 54.955 56.287 -0.028 0.000 0.958 122 K CB 1.752 34.240 32.500 -0.019 0.000 0.984 122 K HN 0.090 nan 8.250 nan 0.000 0.473 123 P HA -0.253 nan 4.420 nan 0.000 0.216 123 P C 0.888 177.988 177.300 -0.333 0.000 1.150 123 P CA 1.216 64.128 63.100 -0.314 0.000 0.837 123 P CB 0.171 31.631 31.700 -0.401 0.000 0.786 124 E N 0.049 120.122 120.200 -0.212 0.000 2.409 124 E HA -0.182 4.168 4.350 0.001 0.000 0.198 124 E C 1.373 177.899 176.600 -0.124 0.000 1.024 124 E CA 1.205 57.505 56.400 -0.166 0.000 0.861 124 E CB -0.502 29.143 29.700 -0.092 0.000 0.788 124 E HN 0.371 nan 8.360 nan 0.000 0.521 125 E N 0.198 120.333 120.200 -0.110 0.000 2.206 125 E HA 0.171 4.522 4.350 0.001 0.000 0.195 125 E C 2.167 178.717 176.600 -0.083 0.000 0.935 125 E CA 0.090 56.444 56.400 -0.076 0.000 0.875 125 E CB 0.252 29.923 29.700 -0.048 0.000 0.841 125 E HN 0.189 nan 8.360 nan 0.000 0.477 126 I N 1.015 121.522 120.570 -0.105 0.000 2.277 126 I HA -0.216 3.955 4.170 0.001 0.000 0.243 126 I C 2.169 178.218 176.117 -0.113 0.000 1.094 126 I CA 0.835 62.079 61.300 -0.093 0.000 1.393 126 I CB -0.140 37.805 38.000 -0.093 0.000 1.078 126 I HN 0.096 nan 8.210 nan 0.000 0.417 127 L N 0.636 121.737 121.223 -0.203 0.000 2.012 127 L HA -0.151 4.189 4.340 0.001 0.000 0.210 127 L C -0.241 176.557 176.870 -0.121 0.000 1.073 127 L CA 1.721 56.436 54.840 -0.209 0.000 0.748 127 L CB -2.117 39.703 42.059 -0.399 0.000 0.891 127 L HN 0.178 nan 8.230 nan 0.000 0.431 128 P HA -0.170 nan 4.420 nan 0.000 0.215 128 P C 1.966 179.242 177.300 -0.040 0.000 1.153 128 P CA 1.564 64.620 63.100 -0.072 0.000 0.853 128 P CB 0.070 31.727 31.700 -0.072 0.000 0.788 129 S N -0.931 114.746 115.700 -0.039 0.000 2.353 129 S HA -0.145 4.325 4.470 0.001 0.000 0.222 129 S C 1.856 176.465 174.600 0.015 0.000 1.035 129 S CA 1.177 59.364 58.200 -0.021 0.000 1.025 129 S CB -1.126 62.060 63.200 -0.024 0.000 0.902 129 S HN -0.034 nan 8.310 nan 0.000 0.440 130 L N 1.072 122.324 121.223 0.048 0.000 2.079 130 L HA -0.110 4.231 4.340 0.001 0.000 0.210 130 L C 2.929 179.923 176.870 0.207 0.000 1.081 130 L CA 1.211 56.156 54.840 0.176 0.000 0.752 130 L CB -0.701 41.431 42.059 0.123 0.000 0.896 130 L HN 0.445 nan 8.230 nan 0.000 0.433 131 A N -0.027 122.844 122.820 0.084 0.000 1.902 131 A HA -0.256 4.065 4.320 0.001 0.000 0.217 131 A C 2.415 180.035 177.584 0.060 0.000 1.181 131 A CA 2.004 54.083 52.037 0.069 0.000 0.623 131 A CB -0.396 18.610 19.000 0.010 0.000 0.818 131 A HN 0.349 nan 8.150 nan 0.000 0.443 132 K N -0.511 119.901 120.400 0.020 0.000 2.007 132 K HA -0.177 4.144 4.320 0.001 0.000 0.206 132 K C 1.415 177.986 176.600 -0.047 0.000 1.047 132 K CA 1.576 57.854 56.287 -0.014 0.000 0.937 132 K CB -0.271 32.210 32.500 -0.032 0.000 0.718 132 K HN 0.316 nan 8.250 nan 0.000 0.438 133 D N 0.087 120.433 120.400 -0.091 0.000 2.158 133 D HA -0.179 4.462 4.640 0.001 0.000 0.197 133 D C 1.364 177.398 176.300 -0.444 0.000 0.995 133 D CA 1.362 55.188 54.000 -0.289 0.000 0.846 133 D CB -0.145 40.415 40.800 -0.400 0.000 0.941 133 D HN 0.271 nan 8.370 nan 0.000 0.456 134 F N -0.796 119.136 119.950 -0.030 0.000 2.695 134 F HA 0.313 4.840 4.527 0.001 0.000 0.303 134 F C 1.688 177.482 175.800 -0.010 0.000 1.091 134 F CA 0.119 58.107 58.000 -0.020 0.000 1.300 134 F CB 0.391 39.381 39.000 -0.017 0.000 1.071 134 F HN -0.038 nan 8.300 nan 0.000 0.578 135 G N 1.401 110.261 108.800 0.101 0.000 2.273 135 G HA2 -0.173 3.788 3.960 0.001 0.000 0.280 135 G HA3 -0.173 3.788 3.960 0.001 0.000 0.280 135 G C 0.430 175.379 174.900 0.080 0.000 1.047 135 G CA -0.015 45.124 45.100 0.064 0.000 0.869 135 G HN 0.650 nan 8.290 nan 0.000 0.502 136 A N -0.729 122.153 122.820 0.103 0.000 2.483 136 A HA 0.585 4.906 4.320 0.001 0.000 0.238 136 A C 1.415 179.026 177.584 0.046 0.000 1.070 136 A CA 0.864 52.950 52.037 0.082 0.000 0.770 136 A CB 0.239 19.288 19.000 0.081 0.000 1.008 136 A HN 0.573 nan 8.150 nan 0.000 0.497 137 R N -0.097 120.428 120.500 0.042 0.000 2.223 137 R HA 0.097 4.438 4.340 0.001 0.000 0.198 137 R C 0.103 176.397 176.300 -0.011 0.000 0.984 137 R CA 1.277 57.388 56.100 0.019 0.000 1.018 137 R CB 0.109 30.426 30.300 0.027 0.000 0.945 137 R HN 0.905 nan 8.270 nan 0.000 0.479 138 T N -3.127 111.422 114.554 -0.008 0.000 2.853 138 T HA 0.480 4.831 4.350 0.001 0.000 0.311 138 T C -0.858 173.796 174.700 -0.076 0.000 1.307 138 T CA -0.799 61.233 62.100 -0.112 0.000 1.019 138 T CB 2.404 71.117 68.868 -0.258 0.000 1.264 138 T HN -0.223 nan 8.240 nan 0.000 0.497 139 V N 2.121 121.937 119.914 -0.162 0.000 2.409 139 V HA 0.539 4.660 4.120 0.001 0.000 0.290 139 V C -1.139 174.899 176.094 -0.093 0.000 1.017 139 V CA -0.739 61.545 62.300 -0.026 0.000 0.841 139 V CB 0.733 32.560 31.823 0.007 0.000 1.003 139 V HN 0.864 nan 8.190 nan 0.000 0.426 140 F N 3.136 123.123 119.950 0.062 0.000 2.399 140 F HA 0.847 5.375 4.527 0.001 0.000 0.334 140 F C 0.579 176.370 175.800 -0.015 0.000 1.097 140 F CA -0.003 58.002 58.000 0.009 0.000 1.076 140 F CB 1.881 40.853 39.000 -0.047 0.000 1.162 140 F HN 0.619 nan 8.300 nan 0.000 0.495 141 A N 1.714 124.588 122.820 0.090 0.000 2.601 141 A HA 0.486 4.807 4.320 0.001 0.000 0.291 141 A C -1.576 175.886 177.584 -0.202 0.000 1.075 141 A CA -0.796 51.169 52.037 -0.120 0.000 0.671 141 A CB 1.038 19.956 19.000 -0.136 0.000 1.277 141 A HN 0.687 nan 8.150 nan 0.000 0.417 142 H N 0.755 119.714 119.070 -0.184 0.000 2.525 142 H HA 0.337 4.894 4.556 0.001 0.000 0.339 142 H C -0.041 175.180 175.328 -0.179 0.000 1.109 142 H CA 0.156 56.107 56.048 -0.163 0.000 1.352 142 H CB 1.567 31.202 29.762 -0.211 0.000 1.461 142 H HN 0.628 nan 8.280 nan 0.000 0.533 143 K N 2.493 122.905 120.400 0.020 0.000 2.298 143 K HA 0.057 4.377 4.320 0.001 0.000 0.280 143 K C 0.004 176.551 176.600 -0.089 0.000 1.032 143 K CA -0.114 56.186 56.287 0.022 0.000 0.958 143 K CB 0.597 33.212 32.500 0.191 0.000 0.978 143 K HN 0.501 nan 8.250 nan 0.000 0.472 144 E N 0.935 121.111 120.200 -0.040 0.000 2.285 144 E HA 0.256 4.607 4.350 0.001 0.000 0.254 144 E C 0.229 176.855 176.600 0.043 0.000 1.011 144 E CA -0.143 56.218 56.400 -0.064 0.000 0.873 144 E CB 1.652 31.312 29.700 -0.066 0.000 1.229 144 E HN 0.817 nan 8.360 nan 0.000 0.422 145 T N -3.969 110.613 114.554 0.047 0.000 2.954 145 T HA 0.203 4.554 4.350 0.001 0.000 0.252 145 T C 0.932 175.698 174.700 0.111 0.000 0.983 145 T CA -0.172 62.001 62.100 0.122 0.000 0.941 145 T CB -0.220 68.741 68.868 0.154 0.000 1.141 145 T HN 0.294 nan 8.240 nan 0.000 0.500 146 C N 2.174 121.528 119.300 0.091 0.000 2.382 146 C HA 0.713 5.174 4.460 0.001 0.000 0.363 146 C C 2.393 177.438 174.990 0.091 0.000 1.213 146 C CA 0.027 59.125 59.018 0.132 0.000 2.363 146 C CB 1.104 28.956 27.740 0.187 0.000 2.397 146 C HN 0.620 nan 8.230 nan 0.000 0.573 147 S N 0.889 116.650 115.700 0.101 0.000 2.412 147 S HA -0.256 4.215 4.470 0.001 0.000 0.246 147 S C 1.638 176.234 174.600 -0.007 0.000 1.073 147 S CA 2.622 60.842 58.200 0.033 0.000 1.186 147 S CB -0.381 62.808 63.200 -0.019 0.000 1.084 147 S HN 0.857 nan 8.310 nan 0.000 0.434 148 E N -0.034 120.130 120.200 -0.059 0.000 2.058 148 E HA -0.171 4.179 4.350 0.001 0.000 0.194 148 E C 2.240 178.842 176.600 0.003 0.000 0.997 148 E CA 1.589 57.961 56.400 -0.047 0.000 0.801 148 E CB -0.199 29.449 29.700 -0.087 0.000 0.746 148 E HN 0.557 nan 8.360 nan 0.000 0.450 149 E N 0.046 120.253 120.200 0.012 0.000 2.072 149 E HA -0.151 4.200 4.350 0.001 0.000 0.191 149 E C 2.258 178.894 176.600 0.060 0.000 0.985 149 E CA 1.258 57.677 56.400 0.031 0.000 0.801 149 E CB -0.269 29.432 29.700 0.002 0.000 0.750 149 E HN 0.318 nan 8.360 nan 0.000 0.452 150 V N -0.823 119.127 119.914 0.060 0.000 2.667 150 V HA -0.140 3.981 4.120 0.001 0.000 0.252 150 V C 1.806 177.947 176.094 0.078 0.000 1.065 150 V CA 1.979 64.326 62.300 0.078 0.000 1.083 150 V CB -0.416 31.457 31.823 0.083 0.000 0.692 150 V HN 0.028 nan 8.190 nan 0.000 0.468 151 D N 0.703 121.138 120.400 0.060 0.000 2.144 151 D HA -0.115 4.525 4.640 0.001 0.000 0.200 151 D C 1.975 178.315 176.300 0.066 0.000 0.978 151 D CA 1.505 55.535 54.000 0.051 0.000 0.833 151 D CB -0.050 40.767 40.800 0.029 0.000 0.961 151 D HN 0.328 nan 8.370 nan 0.000 0.470 152 V N 0.641 120.610 119.914 0.091 0.000 2.427 152 V HA -0.191 3.929 4.120 0.001 0.000 0.248 152 V C 2.183 178.385 176.094 0.180 0.000 1.051 152 V CA 1.765 64.143 62.300 0.130 0.000 1.048 152 V CB -0.514 31.424 31.823 0.191 0.000 0.666 152 V HN 0.264 nan 8.190 nan 0.000 0.456 153 E N 0.075 120.401 120.200 0.211 0.000 2.085 153 E HA -0.273 4.078 4.350 0.001 0.000 0.194 153 E C 2.386 179.064 176.600 0.130 0.000 0.994 153 E CA 1.425 57.965 56.400 0.233 0.000 0.801 153 E CB -0.252 29.556 29.700 0.180 0.000 0.743 153 E HN 0.500 nan 8.360 nan 0.000 0.453 154 R N 1.156 121.711 120.500 0.091 0.000 2.070 154 R HA -0.158 4.183 4.340 0.001 0.000 0.233 154 R C 2.372 178.693 176.300 0.034 0.000 1.137 154 R CA 1.272 57.406 56.100 0.057 0.000 0.945 154 R CB -0.320 30.009 30.300 0.049 0.000 0.845 154 R HN 0.142 nan 8.270 nan 0.000 0.430 155 L N 0.430 121.670 121.223 0.028 0.000 2.079 155 L HA -0.172 4.168 4.340 0.001 0.000 0.210 155 L C 2.485 179.338 176.870 -0.028 0.000 1.081 155 L CA 0.935 55.776 54.840 0.001 0.000 0.752 155 L CB -0.296 41.763 42.059 0.000 0.000 0.896 155 L HN 0.119 nan 8.230 nan 0.000 0.433 156 V N -0.135 119.756 119.914 -0.038 0.000 2.307 156 V HA -0.256 3.865 4.120 0.001 0.000 0.245 156 V C 2.236 178.291 176.094 -0.065 0.000 1.045 156 V CA 2.005 64.238 62.300 -0.113 0.000 1.024 156 V CB -0.631 31.063 31.823 -0.216 0.000 0.651 156 V HN 0.482 nan 8.190 nan 0.000 0.449 157 N N 0.254 118.948 118.700 -0.010 0.000 2.104 157 N HA -0.216 4.525 4.740 0.001 0.000 0.190 157 N C 1.922 177.424 175.510 -0.015 0.000 1.024 157 N CA 1.779 54.827 53.050 -0.003 0.000 0.853 157 N CB -0.169 38.332 38.487 0.024 0.000 1.008 157 N HN 0.566 nan 8.380 nan 0.000 0.424 158 Q N -1.138 118.655 119.800 -0.011 0.000 2.172 158 Q HA 0.039 4.379 4.340 0.001 0.000 0.200 158 Q C 2.062 178.047 176.000 -0.025 0.000 0.964 158 Q CA 1.128 56.923 55.803 -0.013 0.000 0.855 158 Q CB -0.175 28.559 28.738 -0.006 0.000 0.918 158 Q HN 0.477 nan 8.270 nan 0.000 0.444 159 G N 1.135 109.912 108.800 -0.038 0.000 2.402 159 G HA2 -0.205 3.756 3.960 0.001 0.000 0.216 159 G HA3 -0.205 3.756 3.960 0.001 0.000 0.216 159 G C 1.413 176.284 174.900 -0.048 0.000 1.162 159 G CA 0.406 45.477 45.100 -0.048 0.000 0.777 159 G HN 0.160 nan 8.290 nan 0.000 0.539 160 L N -0.120 121.072 121.223 -0.053 0.000 2.083 160 L HA -0.019 4.322 4.340 0.001 0.000 0.209 160 L C 2.819 179.669 176.870 -0.033 0.000 1.083 160 L CA 1.328 56.140 54.840 -0.047 0.000 0.752 160 L CB -0.292 41.736 42.059 -0.051 0.000 0.899 160 L HN 0.185 nan 8.230 nan 0.000 0.433 161 K N 0.403 120.786 120.400 -0.028 0.000 2.097 161 K HA -0.197 4.123 4.320 0.001 0.000 0.206 161 K C 2.127 178.715 176.600 -0.019 0.000 1.049 161 K CA 1.047 57.322 56.287 -0.020 0.000 0.933 161 K CB 0.016 32.507 32.500 -0.015 0.000 0.717 161 K HN 0.052 nan 8.250 nan 0.000 0.442 162 R N 0.042 120.529 120.500 -0.022 0.000 2.346 162 R HA -0.006 4.335 4.340 0.001 0.000 0.199 162 R C 0.312 176.598 176.300 -0.022 0.000 1.015 162 R CA 0.403 56.491 56.100 -0.020 0.000 1.058 162 R CB 0.336 30.623 30.300 -0.022 0.000 0.921 162 R HN 0.021 nan 8.270 nan 0.000 0.475 163 V N -0.677 119.223 119.914 -0.023 0.000 3.346 163 V HA 0.346 4.467 4.120 0.001 0.000 0.309 163 V C -0.022 176.060 176.094 -0.020 0.000 1.457 163 V CA 0.344 62.630 62.300 -0.023 0.000 1.069 163 V CB 1.150 32.957 31.823 -0.027 0.000 0.944 163 V HN 0.432 nan 8.190 nan 0.000 0.449 164 G N 2.013 110.803 108.800 -0.018 0.000 3.152 164 G HA2 -0.150 3.810 3.960 0.001 0.000 0.666 164 G HA3 -0.150 3.810 3.960 0.001 0.000 0.666 164 G C -0.513 174.378 174.900 -0.016 0.000 1.205 164 G CA -0.379 44.712 45.100 -0.015 0.000 1.178 164 G HN 0.250 nan 8.290 nan 0.000 0.510 165 N N 1.351 120.042 118.700 -0.015 0.000 2.744 165 N HA 0.331 5.072 4.740 0.001 0.000 0.290 165 N C 1.088 176.590 175.510 -0.014 0.000 1.206 165 N CA 0.757 53.798 53.050 -0.015 0.000 1.119 165 N CB 0.160 38.640 38.487 -0.012 0.000 1.449 165 N HN 0.468 nan 8.380 nan 0.000 0.514 166 S N 0.140 115.831 115.700 -0.015 0.000 3.096 166 S HA 0.090 4.560 4.470 0.001 0.000 0.169 166 S C 0.253 174.842 174.600 -0.019 0.000 0.736 166 S CA -0.271 57.921 58.200 -0.013 0.000 0.976 166 S CB -0.861 62.333 63.200 -0.010 0.000 0.705 166 S HN 0.515 nan 8.310 nan 0.000 0.666 167 T N 4.974 119.517 114.554 -0.019 0.000 2.298 167 T HA -0.135 4.216 4.350 0.001 0.000 0.188 167 T C -0.075 174.598 174.700 -0.044 0.000 1.147 167 T CA 0.309 62.392 62.100 -0.028 0.000 2.896 167 T CB -1.317 67.539 68.868 -0.021 0.000 0.898 167 T HN 0.407 nan 8.240 nan 0.000 0.347 168 K N 4.400 124.762 120.400 -0.063 0.000 2.118 168 K HA 0.512 4.833 4.320 0.001 0.000 0.267 168 K C -0.194 176.332 176.600 -0.122 0.000 0.991 168 K CA -1.221 55.019 56.287 -0.079 0.000 0.916 168 K CB 1.393 33.849 32.500 -0.074 0.000 1.041 168 K HN 0.410 nan 8.250 nan 0.000 0.455 169 L N 1.972 123.143 121.223 -0.086 0.000 2.290 169 L HA 0.181 4.521 4.340 0.001 0.000 0.284 169 L C -0.658 176.144 176.870 -0.114 0.000 1.078 169 L CA 0.364 55.160 54.840 -0.073 0.000 0.815 169 L CB 0.540 42.607 42.059 0.014 0.000 1.162 169 L HN 0.551 nan 8.230 nan 0.000 0.435 170 E N 6.787 126.850 120.200 -0.228 0.000 2.102 170 E HA 0.302 4.653 4.350 0.001 0.000 0.263 170 E C -1.059 175.513 176.600 -0.047 0.000 0.894 170 E CA -0.289 55.976 56.400 -0.224 0.000 0.746 170 E CB 1.405 30.735 29.700 -0.616 0.000 1.129 170 E HN 0.613 nan 8.360 nan 0.000 0.416 171 L N 4.158 125.404 121.223 0.039 0.000 2.276 171 L HA 0.386 4.726 4.340 0.001 0.000 0.286 171 L C 0.040 176.988 176.870 0.130 0.000 1.061 171 L CA -0.592 54.295 54.840 0.080 0.000 0.807 171 L CB 0.678 42.795 42.059 0.097 0.000 1.177 171 L HN 0.253 nan 8.230 nan 0.000 0.429 172 I N 2.483 123.118 120.570 0.109 0.000 2.377 172 I HA 0.187 4.358 4.170 0.001 0.000 0.293 172 I C -0.100 176.172 176.117 0.259 0.000 0.987 172 I CA -0.551 60.855 61.300 0.177 0.000 1.185 172 I CB 1.664 39.707 38.000 0.072 0.000 1.341 172 I HN 0.718 nan 8.210 nan 0.000 0.455 173 W N 6.460 127.861 121.300 0.169 0.000 2.216 173 W HA 0.482 5.143 4.660 0.001 0.000 0.326 173 W C -0.207 176.374 176.519 0.103 0.000 1.319 173 W CA 0.391 57.789 57.345 0.087 0.000 1.213 173 W CB 1.490 30.916 29.460 -0.057 0.000 1.171 173 W HN 0.679 nan 8.180 nan 0.000 0.557 174 G N 1.291 109.616 108.800 -0.793 0.000 2.793 174 G HA2 0.341 4.301 3.960 0.001 0.000 0.248 174 G HA3 0.341 4.301 3.960 0.001 0.000 0.248 174 G C 0.317 174.741 174.900 -0.793 0.000 1.198 174 G CA 0.693 45.471 45.100 -0.537 0.000 0.865 174 G HN 1.059 nan 8.290 nan 0.000 0.534 175 S N -2.376 112.993 115.700 -0.550 0.000 2.314 175 S HA -0.301 4.170 4.470 0.001 0.000 0.232 175 S C 0.867 175.327 174.600 -0.234 0.000 1.223 175 S CA 3.040 60.994 58.200 -0.411 0.000 1.673 175 S CB -2.685 60.213 63.200 -0.503 0.000 2.201 175 S HN 2.483 nan 8.310 nan 0.000 0.619 176 T N -1.111 113.348 114.554 -0.157 0.000 2.943 176 T HA 0.747 5.097 4.350 0.001 0.000 0.284 176 T C 0.955 175.723 174.700 0.113 0.000 1.015 176 T CA -0.209 61.914 62.100 0.038 0.000 1.042 176 T CB 1.613 70.593 68.868 0.186 0.000 1.055 176 T HN 0.348 nan 8.240 nan 0.000 0.500 177 M N 0.406 120.071 119.600 0.108 0.000 2.156 177 M HA 0.148 4.628 4.480 0.001 0.000 0.264 177 M C -0.538 175.705 176.300 -0.095 0.000 1.067 177 M CA 1.131 56.412 55.300 -0.033 0.000 1.131 177 M CB 0.032 32.556 32.600 -0.126 0.000 1.368 177 M HN 0.689 nan 8.290 nan 0.000 0.416 178 Y N 0.472 120.913 120.300 0.236 0.000 2.326 178 Y HA 0.203 4.753 4.550 0.001 0.000 0.337 178 Y C 0.186 176.345 175.900 0.432 0.000 1.023 178 Y CA -0.839 57.414 58.100 0.254 0.000 1.143 178 Y CB 0.342 38.931 38.460 0.215 0.000 1.183 178 Y HN 0.043 nan 8.280 nan 0.000 0.485 179 H N 4.066 123.363 119.070 0.379 0.000 2.764 179 H HA 0.021 4.578 4.556 0.001 0.000 0.341 179 H C 1.031 176.460 175.328 0.169 0.000 1.072 179 H CA 0.468 56.738 56.048 0.370 0.000 1.444 179 H CB 1.194 31.099 29.762 0.238 0.000 1.458 179 H HN 0.831 nan 8.280 nan 0.000 0.572 180 K N 2.846 123.185 120.400 -0.102 0.000 2.074 180 K HA -0.167 4.154 4.320 0.001 0.000 0.209 180 K C 0.804 177.302 176.600 -0.170 0.000 1.048 180 K CA 1.931 57.978 56.287 -0.399 0.000 0.926 180 K CB 0.205 31.970 32.500 -1.226 0.000 0.713 180 K HN 0.589 nan 8.250 nan 0.000 0.444 181 D N 0.726 121.222 120.400 0.161 0.000 2.310 181 D HA -0.102 4.539 4.640 0.001 0.000 0.212 181 D C 0.770 177.042 176.300 -0.046 0.000 0.965 181 D CA 0.869 54.881 54.000 0.021 0.000 0.879 181 D CB -0.005 40.789 40.800 -0.010 0.000 0.921 181 D HN 0.280 nan 8.370 nan 0.000 0.510 182 D N -0.158 120.242 120.400 -0.000 0.000 2.360 182 D HA 0.072 4.713 4.640 0.001 0.000 0.210 182 D C 0.932 177.143 176.300 -0.149 0.000 1.047 182 D CA -0.087 53.883 54.000 -0.050 0.000 0.854 182 D CB 0.569 41.391 40.800 0.035 0.000 0.936 182 D HN 0.210 nan 8.370 nan 0.000 0.514 183 L N 1.991 123.075 121.223 -0.233 0.000 2.483 183 L HA 0.062 4.403 4.340 0.001 0.000 0.275 183 L C -1.090 175.433 176.870 -0.578 0.000 1.220 183 L CA -0.878 53.683 54.840 -0.464 0.000 0.833 183 L CB 0.147 41.908 42.059 -0.497 0.000 1.102 183 L HN -0.133 nan 8.230 nan 0.000 0.490 184 P HA 0.088 nan 4.420 nan 0.000 0.255 184 P C -0.917 175.972 177.300 -0.686 0.000 1.301 184 P CA 0.384 63.019 63.100 -0.775 0.000 0.817 184 P CB -0.092 31.169 31.700 -0.732 0.000 1.259 185 F N -2.659 117.217 119.950 -0.123 0.000 2.719 185 F HA 0.497 5.025 4.527 0.001 0.000 0.309 185 F C -0.811 174.919 175.800 -0.117 0.000 1.138 185 F CA -2.463 55.481 58.000 -0.093 0.000 0.943 185 F CB -0.033 38.931 39.000 -0.060 0.000 1.304 185 F HN -0.355 nan 8.300 nan 0.000 0.445 186 D N 0.410 120.911 120.400 0.169 0.000 2.313 186 D HA 0.388 5.028 4.640 0.001 0.000 0.247 186 D C 1.253 177.613 176.300 0.100 0.000 1.094 186 D CA -0.267 53.759 54.000 0.043 0.000 0.925 186 D CB 1.894 42.678 40.800 -0.027 0.000 1.188 186 D HN 0.657 nan 8.370 nan 0.000 0.430 187 V N 1.513 121.440 119.914 0.022 0.000 2.688 187 V HA -0.166 3.955 4.120 0.001 0.000 0.256 187 V C 1.865 178.081 176.094 0.204 0.000 1.084 187 V CA 1.117 63.461 62.300 0.074 0.000 1.103 187 V CB -1.032 30.834 31.823 0.073 0.000 0.688 187 V HN 0.506 nan 8.190 nan 0.000 0.480 188 F N 1.253 121.192 119.950 -0.019 0.000 2.269 188 F HA 0.010 4.538 4.527 0.001 0.000 0.301 188 F C 1.921 177.694 175.800 -0.045 0.000 1.082 188 F CA 1.024 59.011 58.000 -0.022 0.000 1.360 188 F CB -0.528 38.467 39.000 -0.008 0.000 1.041 188 F HN 0.348 nan 8.300 nan 0.000 0.512 189 D N 0.424 120.902 120.400 0.130 0.000 2.643 189 D HA 0.064 4.704 4.640 0.001 0.000 0.244 189 D C 0.124 176.294 176.300 -0.217 0.000 1.257 189 D CA -0.146 53.849 54.000 -0.008 0.000 0.831 189 D CB 0.278 41.101 40.800 0.037 0.000 1.043 189 D HN 0.046 nan 8.370 nan 0.000 0.488 190 L N 1.931 123.022 121.223 -0.220 0.000 2.490 190 L HA 0.164 4.505 4.340 0.001 0.000 0.274 190 L C -2.305 174.375 176.870 -0.317 0.000 1.201 190 L CA -0.735 53.855 54.840 -0.416 0.000 0.869 190 L CB 0.367 42.317 42.059 -0.183 0.000 1.123 190 L HN -0.208 nan 8.230 nan 0.000 0.484 191 P HA 0.056 nan 4.420 nan 0.000 0.268 191 P C -0.567 176.755 177.300 0.036 0.000 1.205 191 P CA 0.034 63.041 63.100 -0.155 0.000 0.771 191 P CB 0.493 32.105 31.700 -0.146 0.000 0.858 192 D N 0.763 121.190 120.400 0.046 0.000 2.349 192 D HA 0.030 4.670 4.640 0.001 0.000 0.224 192 D C 0.007 176.428 176.300 0.201 0.000 1.029 192 D CA 0.774 54.854 54.000 0.134 0.000 0.879 192 D CB 0.222 41.060 40.800 0.063 0.000 0.906 192 D HN 0.057 nan 8.370 nan 0.000 0.528 193 V N 1.813 121.790 119.914 0.104 0.000 2.409 193 V HA 0.041 4.161 4.120 0.001 0.000 0.291 193 V C 0.800 176.792 176.094 -0.170 0.000 1.020 193 V CA -0.907 61.425 62.300 0.053 0.000 0.848 193 V CB 1.666 33.502 31.823 0.022 0.000 0.990 193 V HN 0.018 nan 8.190 nan 0.000 0.430 194 Y N 4.650 124.670 120.300 -0.466 0.000 2.069 194 Y HA -0.320 4.230 4.550 0.001 0.000 0.278 194 Y C 2.371 177.902 175.900 -0.616 0.000 1.175 194 Y CA 2.810 60.261 58.100 -1.082 0.000 1.134 194 Y CB -0.312 37.365 38.460 -1.305 0.000 0.965 194 Y HN 0.679 nan 8.280 nan 0.000 0.498 195 T N 0.829 115.165 114.554 -0.364 0.000 2.699 195 T HA -0.244 4.107 4.350 0.001 0.000 0.268 195 T C 1.702 176.208 174.700 -0.324 0.000 1.036 195 T CA 1.711 63.626 62.100 -0.308 0.000 1.147 195 T CB -0.230 68.628 68.868 -0.017 0.000 0.862 195 T HN 0.394 nan 8.240 nan 0.000 0.446 196 Q N -0.015 119.647 119.800 -0.230 0.000 2.119 196 Q HA 0.041 4.381 4.340 0.001 0.000 0.201 196 Q C 2.043 177.932 176.000 -0.185 0.000 0.972 196 Q CA 1.006 56.713 55.803 -0.160 0.000 0.847 196 Q CB -0.689 27.996 28.738 -0.089 0.000 0.903 196 Q HN 0.621 nan 8.270 nan 0.000 0.433 197 F N 1.747 121.436 119.950 -0.434 0.000 2.102 197 F HA -0.169 4.359 4.527 0.001 0.000 0.298 197 F C 2.517 178.048 175.800 -0.448 0.000 1.105 197 F CA 1.661 59.443 58.000 -0.364 0.000 1.239 197 F CB -0.163 38.523 39.000 -0.522 0.000 0.991 197 F HN -0.043 nan 8.300 nan 0.000 0.474 198 R N 0.773 120.770 120.500 -0.839 0.000 2.083 198 R HA -0.178 4.163 4.340 0.001 0.000 0.237 198 R C 2.302 178.267 176.300 -0.559 0.000 1.137 198 R CA 1.961 57.533 56.100 -0.880 0.000 0.951 198 R CB -0.316 29.350 30.300 -1.056 0.000 0.851 198 R HN 0.284 nan 8.270 nan 0.000 0.434 199 K N -0.130 120.038 120.400 -0.388 0.000 2.103 199 K HA -0.093 4.228 4.320 0.001 0.000 0.207 199 K C 2.220 178.669 176.600 -0.251 0.000 1.048 199 K CA 1.816 57.964 56.287 -0.232 0.000 0.930 199 K CB -0.051 32.362 32.500 -0.146 0.000 0.716 199 K HN 0.138 nan 8.250 nan 0.000 0.444 200 S N 0.788 116.316 115.700 -0.286 0.000 2.348 200 S HA -0.124 4.346 4.470 0.001 0.000 0.221 200 S C 2.231 176.571 174.600 -0.434 0.000 1.033 200 S CA 1.572 59.611 58.200 -0.269 0.000 1.010 200 S CB -0.332 62.809 63.200 -0.099 0.000 0.891 200 S HN 0.310 nan 8.310 nan 0.000 0.442 201 V N 0.675 120.177 119.914 -0.686 0.000 2.427 201 V HA -0.093 4.028 4.120 0.001 0.000 0.248 201 V C 1.893 177.640 176.094 -0.578 0.000 1.051 201 V CA 1.601 63.369 62.300 -0.887 0.000 1.048 201 V CB -0.921 29.944 31.823 -1.596 0.000 0.666 201 V HN 0.373 nan 8.190 nan 0.000 0.456 202 E N 1.055 121.023 120.200 -0.387 0.000 2.153 202 E HA -0.084 4.267 4.350 0.001 0.000 0.194 202 E C 2.306 178.851 176.600 -0.091 0.000 0.988 202 E CA 1.390 57.714 56.400 -0.126 0.000 0.811 202 E CB -0.245 29.427 29.700 -0.048 0.000 0.746 202 E HN 0.747 nan 8.360 nan 0.000 0.466 203 A N 0.986 123.721 122.820 -0.143 0.000 1.984 203 A HA -0.050 4.270 4.320 0.001 0.000 0.214 203 A C 1.737 179.254 177.584 -0.110 0.000 1.173 203 A CA 0.824 52.799 52.037 -0.102 0.000 0.673 203 A CB 0.156 19.096 19.000 -0.101 0.000 0.830 203 A HN 0.002 nan 8.150 nan 0.000 0.453 204 K N -1.810 118.486 120.400 -0.173 0.000 2.373 204 K HA 0.245 4.566 4.320 0.001 0.000 0.200 204 K C -0.526 175.978 176.600 -0.160 0.000 1.054 204 K CA -0.076 56.111 56.287 -0.168 0.000 1.065 204 K CB 0.623 32.993 32.500 -0.215 0.000 0.886 204 K HN 0.406 nan 8.250 nan 0.000 0.546 205 C N 0.761 119.965 119.300 -0.161 0.000 2.529 205 C HA 0.545 5.006 4.460 0.001 0.000 0.329 205 C C 0.209 175.269 174.990 0.116 0.000 1.194 205 C CA -0.875 58.110 59.018 -0.054 0.000 1.779 205 C CB 1.604 29.268 27.740 -0.126 0.000 2.322 205 C HN 0.167 nan 8.230 nan 0.000 0.500 206 S N 1.042 116.810 115.700 0.112 0.000 2.509 206 S HA 0.609 5.079 4.470 0.001 0.000 0.297 206 S C -0.499 174.129 174.600 0.045 0.000 1.118 206 S CA -0.354 57.898 58.200 0.086 0.000 1.074 206 S CB 0.742 63.972 63.200 0.051 0.000 1.038 206 S HN 0.525 nan 8.310 nan 0.000 0.498 207 I N 2.892 123.394 120.570 -0.113 0.000 2.395 207 I HA 0.270 4.440 4.170 0.001 0.000 0.289 207 I C 0.722 176.810 176.117 -0.049 0.000 1.023 207 I CA -0.448 60.683 61.300 -0.282 0.000 1.350 207 I CB 0.701 38.261 38.000 -0.732 0.000 1.409 207 I HN 0.413 nan 8.210 nan 0.000 0.507 208 R N 3.713 124.220 120.500 0.011 0.000 2.641 208 R HA 0.258 4.598 4.340 0.001 0.000 0.269 208 R C 0.000 176.364 176.300 0.106 0.000 1.074 208 R CA -0.423 55.719 56.100 0.070 0.000 1.133 208 R CB 0.556 30.909 30.300 0.088 0.000 1.029 208 R HN 0.566 nan 8.270 nan 0.000 0.488 209 S N 1.075 116.841 115.700 0.110 0.000 2.579 209 S HA 0.020 4.490 4.470 0.001 0.000 0.275 209 S C 0.289 174.956 174.600 0.112 0.000 1.345 209 S CA -0.604 57.675 58.200 0.132 0.000 1.031 209 S CB 0.963 64.228 63.200 0.109 0.000 0.892 209 S HN 0.674 nan 8.310 nan 0.000 0.529 210 S N 2.092 117.868 115.700 0.126 0.000 2.573 210 S HA 0.146 4.617 4.470 0.001 0.000 0.277 210 S C 0.034 174.666 174.600 0.053 0.000 1.346 210 S CA -0.610 57.642 58.200 0.086 0.000 1.034 210 S CB 0.023 63.259 63.200 0.059 0.000 0.879 210 S HN 0.577 nan 8.310 nan 0.000 0.528 211 T N 4.059 118.621 114.554 0.013 0.000 2.761 211 T HA 0.290 4.640 4.350 0.001 0.000 0.296 211 T C 0.161 174.833 174.700 -0.047 0.000 0.934 211 T CA -0.564 61.501 62.100 -0.059 0.000 1.091 211 T CB 0.075 68.892 68.868 -0.086 0.000 0.896 211 T HN 0.439 nan 8.240 nan 0.000 0.515 212 R N 3.038 123.504 120.500 -0.058 0.000 2.438 212 R HA 0.380 4.721 4.340 0.001 0.000 0.287 212 R C -0.100 176.185 176.300 -0.026 0.000 1.077 212 R CA -0.641 55.458 56.100 -0.002 0.000 1.034 212 R CB 0.294 30.609 30.300 0.026 0.000 0.993 212 R HN 0.490 nan 8.270 nan 0.000 0.459 213 I N 4.507 125.058 120.570 -0.032 0.000 2.474 213 I HA 0.373 4.544 4.170 0.001 0.000 0.294 213 I C -2.142 173.862 176.117 -0.188 0.000 1.005 213 I CA -3.068 58.169 61.300 -0.104 0.000 1.113 213 I CB 1.557 39.474 38.000 -0.138 0.000 1.289 213 I HN 0.164 nan 8.210 nan 0.000 0.436 214 P HA 0.247 nan 4.420 nan 0.000 0.272 214 P C 0.980 178.116 177.300 -0.272 0.000 1.223 214 P CA -0.259 62.642 63.100 -0.331 0.000 0.784 214 P CB 0.953 32.303 31.700 -0.584 0.000 0.923 215 L N -0.006 121.116 121.223 -0.167 0.000 2.291 215 L HA -0.016 4.324 4.340 0.001 0.000 0.214 215 L C 1.136 177.926 176.870 -0.134 0.000 1.120 215 L CA 1.196 55.955 54.840 -0.135 0.000 0.799 215 L CB -0.172 41.844 42.059 -0.073 0.000 0.925 215 L HN 0.357 nan 8.230 nan 0.000 0.446 216 S N -0.411 115.213 115.700 -0.127 0.000 2.474 216 S HA 0.497 4.967 4.470 0.001 0.000 0.321 216 S C 0.236 174.777 174.600 -0.098 0.000 1.080 216 S CA -0.650 57.506 58.200 -0.073 0.000 1.106 216 S CB 1.046 64.244 63.200 -0.004 0.000 0.984 216 S HN 0.182 nan 8.310 nan 0.000 0.464 217 L N 4.140 125.318 121.223 -0.076 0.000 3.039 217 L HA 0.412 4.753 4.340 0.001 0.000 0.269 217 L C 1.534 178.498 176.870 0.157 0.000 1.169 217 L CA -0.337 54.483 54.840 -0.034 0.000 0.986 217 L CB -0.125 41.825 42.059 -0.182 0.000 1.377 217 L HN 0.739 nan 8.230 nan 0.000 0.575 218 G N 1.429 110.285 108.800 0.093 0.000 2.712 218 G HA2 0.320 4.281 3.960 0.001 0.000 0.258 218 G HA3 0.320 4.281 3.960 0.001 0.000 0.258 218 G C -2.304 172.668 174.900 0.120 0.000 1.241 218 G CA -0.334 44.822 45.100 0.093 0.000 0.923 218 G HN -0.089 nan 8.290 nan 0.000 0.548 219 P HA 0.385 nan 4.420 nan 0.000 0.289 219 P C -0.298 177.065 177.300 0.105 0.000 1.300 219 P CA -0.319 62.834 63.100 0.087 0.000 0.828 219 P CB 1.662 33.409 31.700 0.078 0.000 1.235 220 T N -3.600 111.034 114.554 0.133 0.000 2.952 220 T HA 0.634 4.984 4.350 0.001 0.000 0.286 220 T C -2.530 172.268 174.700 0.163 0.000 1.024 220 T CA -2.144 60.065 62.100 0.181 0.000 1.029 220 T CB 0.421 69.498 68.868 0.349 0.000 1.094 220 T HN 0.156 nan 8.240 nan 0.000 0.515 221 P HA 0.292 nan 4.420 nan 0.000 0.275 221 P C -0.478 176.914 177.300 0.153 0.000 1.266 221 P CA -0.604 62.568 63.100 0.120 0.000 0.793 221 P CB 0.321 32.077 31.700 0.094 0.000 1.074 222 S N 0.141 115.946 115.700 0.176 0.000 2.465 222 S HA 0.262 4.733 4.470 0.001 0.000 0.280 222 S C -0.477 174.194 174.600 0.118 0.000 1.232 222 S CA -0.364 57.924 58.200 0.148 0.000 1.066 222 S CB -0.784 62.484 63.200 0.113 0.000 0.929 222 S HN 0.145 nan 8.310 nan 0.000 0.494 223 V N 5.700 125.603 119.914 -0.017 0.000 2.540 223 V HA 0.334 4.454 4.120 0.001 0.000 0.302 223 V C 0.313 176.280 176.094 -0.212 0.000 1.035 223 V CA -0.710 61.416 62.300 -0.289 0.000 0.873 223 V CB 1.995 33.106 31.823 -1.188 0.000 0.992 223 V HN 0.871 nan 8.190 nan 0.000 0.428 224 D N 1.829 122.142 120.400 -0.146 0.000 2.162 224 D HA 0.017 4.657 4.640 0.001 0.000 0.205 224 D C 0.354 176.613 176.300 -0.067 0.000 0.964 224 D CA 1.248 55.210 54.000 -0.064 0.000 0.847 224 D CB 0.445 41.224 40.800 -0.035 0.000 0.988 224 D HN 0.631 nan 8.370 nan 0.000 0.480 225 D N -1.222 119.091 120.400 -0.145 0.000 2.476 225 D HA 0.108 4.749 4.640 0.001 0.000 0.251 225 D C -0.316 175.914 176.300 -0.116 0.000 1.291 225 D CA -0.650 53.315 54.000 -0.058 0.000 0.939 225 D CB 0.341 41.138 40.800 -0.005 0.000 1.221 225 D HN -0.130 nan 8.370 nan 0.000 0.567 226 W N 3.457 124.784 121.300 0.045 0.000 2.825 226 W HA 0.303 4.964 4.660 0.001 0.000 0.243 226 W C 1.421 177.968 176.519 0.046 0.000 1.293 226 W CA 0.751 58.121 57.345 0.042 0.000 1.403 226 W CB 0.079 29.556 29.460 0.029 0.000 1.134 226 W HN 0.709 nan 8.180 nan 0.000 0.666 227 G N 1.318 110.236 108.800 0.197 0.000 2.722 227 G HA2 -0.188 3.773 3.960 0.001 0.000 0.686 227 G HA3 -0.188 3.773 3.960 0.001 0.000 0.686 227 G C -0.669 174.311 174.900 0.133 0.000 1.282 227 G CA -0.890 44.294 45.100 0.140 0.000 0.817 227 G HN -0.017 nan 8.290 nan 0.000 0.605 228 D N -0.184 120.271 120.400 0.092 0.000 2.312 228 D HA 0.437 5.078 4.640 0.001 0.000 0.248 228 D C 0.960 177.299 176.300 0.065 0.000 1.086 228 D CA -0.379 53.662 54.000 0.069 0.000 0.948 228 D CB 1.581 42.410 40.800 0.048 0.000 1.162 228 D HN 0.431 nan 8.370 nan 0.000 0.446 229 V N 3.083 123.022 119.914 0.042 0.000 2.572 229 V HA 0.132 4.253 4.120 0.001 0.000 0.291 229 V C -1.497 174.613 176.094 0.027 0.000 1.039 229 V CA -0.956 61.363 62.300 0.032 0.000 1.055 229 V CB 0.442 32.263 31.823 -0.004 0.000 0.969 229 V HN 0.507 nan 8.190 nan 0.000 0.482 230 P HA 0.185 nan 4.420 nan 0.000 0.272 230 P C -0.361 176.928 177.300 -0.018 0.000 1.240 230 P CA -0.092 63.014 63.100 0.011 0.000 0.791 230 P CB 0.651 32.361 31.700 0.016 0.000 0.978 231 T N -2.054 112.478 114.554 -0.037 0.000 2.888 231 T HA 0.343 4.693 4.350 0.001 0.000 0.284 231 T C 1.474 176.125 174.700 -0.082 0.000 1.017 231 T CA -0.920 61.155 62.100 -0.042 0.000 1.022 231 T CB 0.682 69.534 68.868 -0.026 0.000 1.013 231 T HN 0.198 nan 8.240 nan 0.000 0.465 232 L N 1.002 122.180 121.223 -0.075 0.000 2.079 232 L HA -0.113 4.228 4.340 0.001 0.000 0.210 232 L C 2.895 179.707 176.870 -0.097 0.000 1.081 232 L CA 1.415 56.190 54.840 -0.108 0.000 0.752 232 L CB -0.571 41.465 42.059 -0.039 0.000 0.896 232 L HN 0.789 nan 8.230 nan 0.000 0.433 233 E N 0.884 121.053 120.200 -0.052 0.000 2.038 233 E HA -0.257 4.094 4.350 0.001 0.000 0.195 233 E C 1.974 178.548 176.600 -0.044 0.000 1.000 233 E CA 1.247 57.628 56.400 -0.032 0.000 0.803 233 E CB -0.419 29.272 29.700 -0.015 0.000 0.750 233 E HN 0.522 nan 8.360 nan 0.000 0.448 234 K N 0.827 121.196 120.400 -0.051 0.000 2.089 234 K HA -0.108 4.212 4.320 0.001 0.000 0.210 234 K C 2.292 178.849 176.600 -0.073 0.000 1.048 234 K CA 1.311 57.569 56.287 -0.047 0.000 0.926 234 K CB -0.315 32.159 32.500 -0.043 0.000 0.714 234 K HN 0.143 nan 8.250 nan 0.000 0.448 235 L N -0.329 120.801 121.223 -0.155 0.000 2.552 235 L HA 0.055 4.396 4.340 0.001 0.000 0.227 235 L C 1.110 177.901 176.870 -0.132 0.000 1.146 235 L CA 0.500 55.187 54.840 -0.255 0.000 0.858 235 L CB -0.386 41.261 42.059 -0.687 0.000 0.969 235 L HN 0.497 nan 8.230 nan 0.000 0.451 236 G N 0.491 109.254 108.800 -0.061 0.000 2.132 236 G HA2 -0.216 3.745 3.960 0.001 0.000 0.228 236 G HA3 -0.216 3.745 3.960 0.001 0.000 0.228 236 G C -0.088 174.831 174.900 0.031 0.000 1.000 236 G CA -0.035 45.070 45.100 0.009 0.000 0.693 236 G HN 0.122 nan 8.290 nan 0.000 0.515 237 V N 0.117 120.029 119.914 -0.004 0.000 2.448 237 V HA 0.601 4.721 4.120 0.001 0.000 0.295 237 V C 0.206 176.319 176.094 0.031 0.000 1.025 237 V CA -1.044 61.280 62.300 0.041 0.000 0.859 237 V CB 1.877 33.731 31.823 0.052 0.000 0.988 237 V HN 0.364 nan 8.190 nan 0.000 0.431 238 E N 7.100 127.331 120.200 0.051 0.000 2.166 238 E HA 0.322 4.672 4.350 0.001 0.000 0.279 238 E C -2.469 174.158 176.600 0.045 0.000 1.095 238 E CA -1.946 54.480 56.400 0.043 0.000 0.888 238 E CB 0.749 30.479 29.700 0.049 0.000 1.041 238 E HN 0.426 nan 8.360 nan 0.000 0.414 239 P HA -0.075 nan 4.420 nan 0.000 0.266 239 P C -1.144 176.182 177.300 0.043 0.000 1.186 239 P CA 0.416 63.538 63.100 0.037 0.000 0.767 239 P CB 0.370 32.084 31.700 0.025 0.000 0.820 240 Q N 1.698 121.528 119.800 0.049 0.000 2.331 240 Q HA 0.254 4.594 4.340 0.001 0.000 0.272 240 Q C -1.066 174.966 176.000 0.052 0.000 1.062 240 Q CA -0.705 55.129 55.803 0.052 0.000 0.806 240 Q CB 1.559 30.331 28.738 0.057 0.000 1.312 240 Q HN 0.336 nan 8.270 nan 0.000 0.431 241 E N 1.799 122.028 120.200 0.048 0.000 2.222 241 E HA 0.315 4.666 4.350 0.001 0.000 0.272 241 E C -0.825 175.809 176.600 0.057 0.000 0.982 241 E CA -0.659 55.769 56.400 0.046 0.000 0.842 241 E CB 2.088 31.807 29.700 0.031 0.000 1.144 241 E HN 0.415 nan 8.360 nan 0.000 0.397 242 V N 2.385 122.335 119.914 0.061 0.000 2.427 242 V HA 0.047 4.168 4.120 0.001 0.000 0.268 242 V C 1.505 177.628 176.094 0.048 0.000 1.046 242 V CA 0.272 62.621 62.300 0.082 0.000 0.970 242 V CB 0.597 32.482 31.823 0.103 0.000 1.001 242 V HN 0.855 nan 8.190 nan 0.000 0.476 243 T N 2.272 116.868 114.554 0.069 0.000 3.044 243 T HA 0.251 4.601 4.350 0.001 0.000 0.250 243 T C 0.617 175.337 174.700 0.034 0.000 1.081 243 T CA -0.003 62.120 62.100 0.038 0.000 1.040 243 T CB 0.262 69.166 68.868 0.060 0.000 0.962 243 T HN 0.529 nan 8.240 nan 0.000 0.506 244 R N -0.725 119.832 120.500 0.096 0.000 2.634 244 R HA 0.505 4.846 4.340 0.001 0.000 0.263 244 R C -0.050 176.401 176.300 0.252 0.000 1.060 244 R CA 0.300 56.444 56.100 0.074 0.000 0.898 244 R CB 1.166 31.427 30.300 -0.065 0.000 1.253 244 R HN 0.435 nan 8.270 nan 0.000 0.461 245 G N 2.349 111.304 108.800 0.258 0.000 2.584 245 G HA2 -0.246 3.714 3.960 0.001 0.000 0.229 245 G HA3 -0.246 3.714 3.960 0.001 0.000 0.229 245 G C -0.526 174.558 174.900 0.306 0.000 1.320 245 G CA -0.179 45.196 45.100 0.459 0.000 0.891 245 G HN 0.532 nan 8.290 nan 0.000 0.573 246 M N 0.767 120.561 119.600 0.323 0.000 2.219 246 M HA 0.361 4.841 4.480 0.001 0.000 0.353 246 M C 0.817 177.146 176.300 0.049 0.000 1.304 246 M CA -0.042 55.302 55.300 0.073 0.000 1.115 246 M CB 0.904 33.407 32.600 -0.160 0.000 1.664 246 M HN 0.439 nan 8.290 nan 0.000 0.459 247 R N 4.351 124.825 120.500 -0.043 0.000 2.335 247 R HA 0.338 4.679 4.340 0.001 0.000 0.302 247 R C -1.649 174.666 176.300 0.026 0.000 1.147 247 R CA -0.370 55.757 56.100 0.045 0.000 1.111 247 R CB -0.004 30.317 30.300 0.034 0.000 1.122 247 R HN 0.519 nan 8.270 nan 0.000 0.557 248 F N 2.034 122.025 119.950 0.069 0.000 2.518 248 F HA 0.088 4.616 4.527 0.001 0.000 0.359 248 F C 0.862 176.829 175.800 0.278 0.000 1.118 248 F CA 0.124 58.190 58.000 0.110 0.000 1.287 248 F CB 0.889 39.770 39.000 -0.198 0.000 1.132 248 F HN 0.018 nan 8.300 nan 0.000 0.587 249 V N 3.540 123.796 119.914 0.571 0.000 2.350 249 V HA 0.438 4.558 4.120 0.001 0.000 0.276 249 V C 0.643 176.927 176.094 0.315 0.000 1.028 249 V CA -0.915 61.616 62.300 0.384 0.000 0.860 249 V CB 0.873 32.873 31.823 0.295 0.000 0.990 249 V HN 0.916 nan 8.190 nan 0.000 0.453 250 G N 2.926 111.518 108.800 -0.346 0.000 2.594 250 G HA2 0.557 4.517 3.960 0.001 0.000 0.243 250 G HA3 0.557 4.517 3.960 0.001 0.000 0.243 250 G C 0.299 174.997 174.900 -0.336 0.000 1.229 250 G CA 0.477 44.907 45.100 -1.117 0.000 0.843 250 G HN 1.605 nan 8.290 nan 0.000 0.578 251 G N -0.070 108.585 108.800 -0.241 0.000 2.576 251 G HA2 -0.073 3.888 3.960 0.001 0.000 0.686 251 G HA3 -0.073 3.888 3.960 0.001 0.000 0.686 251 G C 0.429 175.387 174.900 0.097 0.000 1.242 251 G CA 0.426 45.491 45.100 -0.058 0.000 0.819 251 G HN 0.884 nan 8.290 nan 0.000 0.655 252 E N 0.199 120.416 120.200 0.028 0.000 2.110 252 E HA -0.126 4.225 4.350 0.001 0.000 0.193 252 E C 2.440 179.002 176.600 -0.064 0.000 0.988 252 E CA 1.983 58.388 56.400 0.008 0.000 0.804 252 E CB -0.163 29.554 29.700 0.028 0.000 0.745 252 E HN 0.490 nan 8.360 nan 0.000 0.458 253 S N 0.562 116.239 115.700 -0.038 0.000 2.353 253 S HA -0.197 4.273 4.470 0.001 0.000 0.222 253 S C 2.092 176.588 174.600 -0.173 0.000 1.035 253 S CA 1.208 59.339 58.200 -0.115 0.000 1.025 253 S CB -0.383 62.773 63.200 -0.073 0.000 0.902 253 S HN 0.521 nan 8.310 nan 0.000 0.440 254 A N 1.386 124.135 122.820 -0.119 0.000 1.972 254 A HA 0.103 4.424 4.320 0.001 0.000 0.219 254 A C 2.293 179.549 177.584 -0.547 0.000 1.169 254 A CA 1.690 53.639 52.037 -0.145 0.000 0.635 254 A CB -1.348 17.730 19.000 0.130 0.000 0.810 254 A HN 0.521 nan 8.150 nan 0.000 0.446 255 G N 0.037 108.375 108.800 -0.770 0.000 2.433 255 G HA2 -0.157 3.803 3.960 0.001 0.000 0.216 255 G HA3 -0.157 3.803 3.960 0.001 0.000 0.216 255 G C 1.613 176.120 174.900 -0.655 0.000 1.186 255 G CA 1.959 46.301 45.100 -1.263 0.000 0.779 255 G HN 1.002 nan 8.290 nan 0.000 0.543 256 V N -0.455 119.235 119.914 -0.373 0.000 2.759 256 V HA 0.108 4.228 4.120 0.001 0.000 0.256 256 V C 2.626 178.646 176.094 -0.123 0.000 1.080 256 V CA 1.876 64.063 62.300 -0.188 0.000 1.101 256 V CB -1.065 30.616 31.823 -0.237 0.000 0.698 256 V HN 0.287 nan 8.190 nan 0.000 0.477 257 G N 0.564 109.246 108.800 -0.197 0.000 2.402 257 G HA2 -0.263 3.698 3.960 0.001 0.000 0.216 257 G HA3 -0.263 3.698 3.960 0.001 0.000 0.216 257 G C 1.677 176.579 174.900 0.003 0.000 1.162 257 G CA 0.829 45.892 45.100 -0.062 0.000 0.777 257 G HN 0.531 nan 8.290 nan 0.000 0.539 258 R N 0.430 120.806 120.500 -0.207 0.000 2.092 258 R HA 0.052 4.392 4.340 0.001 0.000 0.231 258 R C 2.504 178.837 176.300 0.055 0.000 1.119 258 R CA 1.302 57.336 56.100 -0.110 0.000 0.970 258 R CB -0.951 29.146 30.300 -0.338 0.000 0.864 258 R HN 0.201 nan 8.270 nan 0.000 0.440 259 V N 0.872 120.710 119.914 -0.127 0.000 2.287 259 V HA -0.225 3.895 4.120 0.001 0.000 0.248 259 V C 2.069 178.175 176.094 0.018 0.000 1.053 259 V CA 2.087 64.231 62.300 -0.260 0.000 1.027 259 V CB -0.769 30.804 31.823 -0.416 0.000 0.646 259 V HN 0.347 nan 8.190 nan 0.000 0.447 260 F N 1.253 121.253 119.950 0.084 0.000 2.069 260 F HA -0.222 4.306 4.527 0.001 0.000 0.298 260 F C 2.509 178.470 175.800 0.269 0.000 1.113 260 F CA 2.405 60.581 58.000 0.294 0.000 1.214 260 F CB -0.481 38.610 39.000 0.151 0.000 0.978 260 F HN 0.265 nan 8.300 nan 0.000 0.474 261 E N -1.161 119.054 120.200 0.025 0.000 2.038 261 E HA -0.333 4.018 4.350 0.001 0.000 0.195 261 E C 2.298 178.883 176.600 -0.025 0.000 1.000 261 E CA 1.813 58.167 56.400 -0.076 0.000 0.803 261 E CB -0.689 29.056 29.700 0.076 0.000 0.750 261 E HN 0.594 nan 8.360 nan 0.000 0.448 262 Y N -0.311 119.975 120.300 -0.023 0.000 2.184 262 Y HA -0.162 4.389 4.550 0.001 0.000 0.290 262 Y C 1.810 177.764 175.900 0.091 0.000 1.129 262 Y CA 1.478 59.585 58.100 0.012 0.000 1.144 262 Y CB -0.211 38.250 38.460 0.002 0.000 0.995 262 Y HN 0.082 nan 8.280 nan 0.000 0.513 263 F N -1.519 118.296 119.950 -0.225 0.000 2.074 263 F HA -0.102 4.425 4.527 0.001 0.000 0.290 263 F C 1.947 177.431 175.800 -0.527 0.000 1.118 263 F CA 1.064 58.713 58.000 -0.585 0.000 1.199 263 F CB -1.604 36.980 39.000 -0.694 0.000 1.012 263 F HN 0.088 nan 8.300 nan 0.000 0.472 264 W N 0.415 121.772 121.300 0.095 0.000 2.519 264 W HA 0.043 4.703 4.660 0.001 0.000 0.313 264 W C 2.555 178.918 176.519 -0.259 0.000 1.156 264 W CA 0.845 58.161 57.345 -0.048 0.000 1.394 264 W CB -0.979 28.451 29.460 -0.050 0.000 1.154 264 W HN -0.163 nan 8.180 nan 0.000 0.498 265 K N 1.083 121.236 120.400 -0.412 0.000 2.009 265 K HA -0.198 4.122 4.320 0.001 0.000 0.210 265 K C 1.695 178.216 176.600 -0.131 0.000 1.049 265 K CA 1.778 57.869 56.287 -0.328 0.000 0.929 265 K CB -0.217 32.004 32.500 -0.465 0.000 0.714 265 K HN 0.043 nan 8.250 nan 0.000 0.440 266 K N -0.127 120.189 120.400 -0.141 0.000 2.400 266 K HA -0.045 4.275 4.320 0.001 0.000 0.194 266 K C -0.004 176.523 176.600 -0.121 0.000 1.033 266 K CA 0.545 56.766 56.287 -0.109 0.000 1.021 266 K CB 0.281 32.715 32.500 -0.110 0.000 0.808 266 K HN 0.182 nan 8.250 nan 0.000 0.505 267 D N 0.567 120.895 120.400 -0.120 0.000 2.772 267 D HA -0.178 4.462 4.640 0.001 0.000 0.233 267 D C 0.214 176.410 176.300 -0.173 0.000 1.143 267 D CA 0.428 54.389 54.000 -0.066 0.000 0.700 267 D CB -1.139 39.658 40.800 -0.006 0.000 1.076 267 D HN 0.209 nan 8.370 nan 0.000 0.430 268 L N -0.581 120.394 121.223 -0.413 0.000 2.446 268 L HA 0.040 4.381 4.340 0.001 0.000 0.219 268 L C 2.355 178.901 176.870 -0.540 0.000 1.116 268 L CA -0.080 54.460 54.840 -0.501 0.000 0.844 268 L CB -0.169 41.471 42.059 -0.699 0.000 0.970 268 L HN 0.217 nan 8.230 nan 0.000 0.457 269 L N 1.455 122.234 121.223 -0.740 0.000 2.081 269 L HA -0.246 4.094 4.340 0.001 0.000 0.212 269 L C 2.536 179.225 176.870 -0.302 0.000 1.080 269 L CA 1.962 56.415 54.840 -0.645 0.000 0.754 269 L CB -0.584 40.587 42.059 -1.479 0.000 0.893 269 L HN 0.333 nan 8.230 nan 0.000 0.433 270 K N -0.872 119.413 120.400 -0.193 0.000 2.515 270 K HA -0.044 4.277 4.320 0.001 0.000 0.196 270 K C 1.110 177.723 176.600 0.021 0.000 1.038 270 K CA 1.427 57.720 56.287 0.010 0.000 0.967 270 K CB -0.413 32.149 32.500 0.103 0.000 0.780 270 K HN 0.415 nan 8.250 nan 0.000 0.483 271 V N -3.515 116.403 119.914 0.007 0.000 3.432 271 V HA 0.105 4.226 4.120 0.001 0.000 0.298 271 V C 1.757 177.886 176.094 0.058 0.000 1.464 271 V CA -0.607 61.705 62.300 0.020 0.000 1.046 271 V CB -0.943 30.880 31.823 -0.001 0.000 0.887 271 V HN 0.212 nan 8.190 nan 0.000 0.441 272 Y N 2.758 123.074 120.300 0.027 0.000 2.062 272 Y HA -0.331 4.220 4.550 0.001 0.000 0.276 272 Y C 2.467 178.421 175.900 0.090 0.000 1.189 272 Y CA 2.811 60.984 58.100 0.123 0.000 1.130 272 Y CB -0.216 38.346 38.460 0.170 0.000 0.959 272 Y HN 0.356 nan 8.280 nan 0.000 0.499 273 K N 0.141 120.388 120.400 -0.255 0.000 2.152 273 K HA -0.224 4.096 4.320 0.001 0.000 0.206 273 K C 1.834 178.196 176.600 -0.397 0.000 1.048 273 K CA 1.986 57.983 56.287 -0.482 0.000 0.933 273 K CB -0.188 32.079 32.500 -0.389 0.000 0.721 273 K HN 0.593 nan 8.250 nan 0.000 0.447 274 E N -0.777 119.290 120.200 -0.222 0.000 2.208 274 E HA -0.111 4.239 4.350 0.001 0.000 0.193 274 E C 1.623 178.157 176.600 -0.109 0.000 0.988 274 E CA 1.566 57.876 56.400 -0.150 0.000 0.828 274 E CB 0.171 29.822 29.700 -0.083 0.000 0.763 274 E HN 0.499 nan 8.360 nan 0.000 0.478 275 T N -1.270 113.227 114.554 -0.095 0.000 3.001 275 T HA 0.055 4.406 4.350 0.001 0.000 0.251 275 T C 1.685 176.409 174.700 0.039 0.000 1.040 275 T CA -0.224 61.879 62.100 0.006 0.000 0.985 275 T CB -0.057 68.877 68.868 0.110 0.000 1.011 275 T HN 0.121 nan 8.240 nan 0.000 0.509 276 R N 1.688 122.105 120.500 -0.138 0.000 2.261 276 R HA -0.025 4.315 4.340 0.001 0.000 0.236 276 R C 1.124 177.444 176.300 0.033 0.000 1.141 276 R CA 1.776 57.841 56.100 -0.059 0.000 1.001 276 R CB -1.012 29.039 30.300 -0.415 0.000 0.866 276 R HN 0.407 nan 8.270 nan 0.000 0.468 277 N N 0.423 119.073 118.700 -0.084 0.000 2.268 277 N HA 0.103 4.844 4.740 0.001 0.000 0.204 277 N C 0.207 175.520 175.510 -0.329 0.000 1.124 277 N CA 0.039 52.953 53.050 -0.226 0.000 0.838 277 N CB 0.879 39.215 38.487 -0.252 0.000 0.994 277 N HN 0.382 nan 8.380 nan 0.000 0.489 278 G N -0.246 108.312 108.800 -0.403 0.000 2.651 278 G HA2 0.254 4.214 3.960 0.001 0.000 0.260 278 G HA3 0.254 4.214 3.960 0.001 0.000 0.260 278 G C 0.524 174.657 174.900 -1.278 0.000 1.216 278 G CA -0.185 44.490 45.100 -0.708 0.000 0.913 278 G HN 0.130 nan 8.290 nan 0.000 0.535 279 M N -1.157 117.852 119.600 -0.986 0.000 2.114 279 M HA 0.247 4.728 4.480 0.001 0.000 0.325 279 M C -0.275 175.861 176.300 -0.274 0.000 0.946 279 M CA -0.122 54.685 55.300 -0.821 0.000 1.137 279 M CB 0.728 32.678 32.600 -1.084 0.000 2.041 279 M HN 0.271 nan 8.290 nan 0.000 0.692 280 L N 1.738 122.918 121.223 -0.071 0.000 2.282 280 L HA 0.798 5.139 4.340 0.001 0.000 0.288 280 L C 0.241 177.220 176.870 0.182 0.000 1.033 280 L CA 0.499 55.467 54.840 0.214 0.000 0.807 280 L CB 1.024 43.199 42.059 0.193 0.000 1.209 280 L HN 0.380 nan 8.230 nan 0.000 0.423 281 G N 4.935 113.805 108.800 0.117 0.000 2.712 281 G HA2 -0.129 3.832 3.960 0.001 0.000 0.686 281 G HA3 -0.129 3.832 3.960 0.001 0.000 0.686 281 G C -2.390 172.535 174.900 0.041 0.000 1.321 281 G CA -0.280 44.800 45.100 -0.034 0.000 0.813 281 G HN 0.556 nan 8.290 nan 0.000 0.599 282 P HA 0.058 nan 4.420 nan 0.000 0.227 282 P C 0.835 178.007 177.300 -0.213 0.000 1.161 282 P CA 1.325 64.290 63.100 -0.225 0.000 0.788 282 P CB 0.224 31.794 31.700 -0.217 0.000 0.822 283 D N 0.087 120.441 120.400 -0.077 0.000 2.219 283 D HA -0.166 4.475 4.640 0.001 0.000 0.205 283 D C 1.874 178.236 176.300 0.103 0.000 0.970 283 D CA 1.057 55.084 54.000 0.045 0.000 0.851 283 D CB -1.039 39.797 40.800 0.059 0.000 0.943 283 D HN 0.420 nan 8.370 nan 0.000 0.488 284 Y N 0.400 120.746 120.300 0.077 0.000 2.574 284 Y HA 0.087 4.638 4.550 0.001 0.000 0.294 284 Y C 0.539 176.512 175.900 0.121 0.000 1.142 284 Y CA 0.421 58.573 58.100 0.087 0.000 1.314 284 Y CB -0.181 38.299 38.460 0.033 0.000 0.991 284 Y HN -0.095 nan 8.280 nan 0.000 0.555 285 S N -1.825 113.599 115.700 -0.461 0.000 2.656 285 S HA 0.262 4.733 4.470 0.001 0.000 0.273 285 S C 0.727 174.769 174.600 -0.930 0.000 1.168 285 S CA -0.297 57.708 58.200 -0.325 0.000 0.817 285 S CB 1.002 64.074 63.200 -0.212 0.000 1.146 285 S HN 0.329 nan 8.310 nan 0.000 0.475 286 T N -1.416 112.483 114.554 -1.090 0.000 2.833 286 T HA -0.003 4.347 4.350 0.001 0.000 0.269 286 T C 0.539 174.641 174.700 -0.997 0.000 1.054 286 T CA 1.320 62.375 62.100 -1.742 0.000 1.135 286 T CB -0.857 66.684 68.868 -2.211 0.000 0.869 286 T HN 0.799 nan 8.240 nan 0.000 0.466 287 K N 0.112 120.232 120.400 -0.465 0.000 3.160 287 K HA -0.149 4.172 4.320 0.001 0.000 0.280 287 K C 0.323 177.148 176.600 0.376 0.000 1.154 287 K CA 0.699 56.962 56.287 -0.040 0.000 0.822 287 K CB -2.463 30.017 32.500 -0.033 0.000 1.239 287 K HN 0.478 nan 8.250 nan 0.000 0.489 288 F N 0.700 120.753 119.950 0.172 0.000 2.456 288 F HA -0.079 4.449 4.527 0.001 0.000 0.298 288 F C 2.591 178.572 175.800 0.301 0.000 1.104 288 F CA 0.894 59.075 58.000 0.300 0.000 1.435 288 F CB -0.875 38.199 39.000 0.123 0.000 1.078 288 F HN 0.223 nan 8.300 nan 0.000 0.546 289 S N 0.956 116.858 115.700 0.336 0.000 2.378 289 S HA -0.216 4.254 4.470 0.001 0.000 0.229 289 S C -0.306 174.311 174.600 0.028 0.000 1.052 289 S CA 1.454 59.754 58.200 0.166 0.000 1.084 289 S CB -2.044 61.232 63.200 0.126 0.000 0.950 289 S HN 0.183 nan 8.310 nan 0.000 0.440 290 P HA -0.083 nan 4.420 nan 0.000 0.215 290 P C 1.338 178.585 177.300 -0.089 0.000 1.153 290 P CA 1.297 64.097 63.100 -0.501 0.000 0.853 290 P CB -0.277 30.601 31.700 -1.371 0.000 0.788 291 W N -0.996 120.453 121.300 0.249 0.000 2.436 291 W HA 0.048 4.709 4.660 0.001 0.000 0.284 291 W C 2.018 178.653 176.519 0.193 0.000 1.225 291 W CA 0.672 58.195 57.345 0.297 0.000 1.271 291 W CB -1.038 28.549 29.460 0.212 0.000 1.114 291 W HN -0.007 nan 8.180 nan 0.000 0.559 292 L N 0.175 121.596 121.223 0.330 0.000 2.072 292 L HA -0.130 4.211 4.340 0.001 0.000 0.205 292 L C 2.749 179.674 176.870 0.091 0.000 1.079 292 L CA 1.329 56.279 54.840 0.183 0.000 0.752 292 L CB -1.117 41.038 42.059 0.160 0.000 0.906 292 L HN -0.190 nan 8.230 nan 0.000 0.436 293 A N -0.246 122.603 122.820 0.047 0.000 1.908 293 A HA -0.214 4.106 4.320 0.001 0.000 0.218 293 A C 1.896 179.373 177.584 -0.179 0.000 1.181 293 A CA 1.644 53.612 52.037 -0.115 0.000 0.627 293 A CB -0.743 18.134 19.000 -0.205 0.000 0.818 293 A HN 0.370 nan 8.150 nan 0.000 0.445 294 F N -0.725 119.261 119.950 0.060 0.000 2.797 294 F HA 0.318 4.846 4.527 0.001 0.000 0.302 294 F C 1.836 177.678 175.800 0.070 0.000 1.130 294 F CA 0.677 58.728 58.000 0.085 0.000 1.387 294 F CB 0.073 39.167 39.000 0.157 0.000 1.107 294 F HN 0.380 nan 8.300 nan 0.000 0.577 295 G N -0.707 108.204 108.800 0.185 0.000 2.160 295 G HA2 -0.324 3.637 3.960 0.001 0.000 0.251 295 G HA3 -0.324 3.637 3.960 0.001 0.000 0.251 295 G C 1.043 176.031 174.900 0.146 0.000 1.008 295 G CA 0.337 45.502 45.100 0.108 0.000 0.724 295 G HN 0.426 nan 8.290 nan 0.000 0.514 296 C N -0.239 119.203 119.300 0.236 0.000 2.432 296 C HA 0.385 4.845 4.460 0.001 0.000 0.280 296 C C 1.479 176.529 174.990 0.099 0.000 1.353 296 C CA 1.149 60.289 59.018 0.203 0.000 1.766 296 C CB -1.264 26.714 27.740 0.396 0.000 1.924 296 C HN 0.752 nan 8.230 nan 0.000 0.509 297 I N -1.658 118.980 120.570 0.114 0.000 2.969 297 I HA 0.684 4.855 4.170 0.001 0.000 0.307 297 I C -0.520 175.635 176.117 0.062 0.000 1.149 297 I CA -0.369 60.947 61.300 0.027 0.000 1.008 297 I CB 2.189 40.198 38.000 0.014 0.000 1.232 297 I HN 0.047 nan 8.210 nan 0.000 0.435 298 S N 1.571 117.321 115.700 0.083 0.000 2.599 298 S HA 0.650 5.120 4.470 0.001 0.000 0.294 298 S C -2.437 172.229 174.600 0.110 0.000 1.094 298 S CA -1.433 56.807 58.200 0.068 0.000 0.931 298 S CB 1.936 65.151 63.200 0.026 0.000 1.093 298 S HN 0.546 nan 8.310 nan 0.000 0.488 299 P HA -0.013 nan 4.420 nan 0.000 0.216 299 P C 1.334 178.692 177.300 0.097 0.000 1.150 299 P CA 1.016 64.163 63.100 0.078 0.000 0.837 299 P CB 0.087 31.817 31.700 0.050 0.000 0.786 300 R N -1.817 118.741 120.500 0.096 0.000 2.092 300 R HA -0.103 4.238 4.340 0.001 0.000 0.231 300 R C 2.228 178.623 176.300 0.159 0.000 1.119 300 R CA 1.174 57.352 56.100 0.130 0.000 0.970 300 R CB -0.982 29.382 30.300 0.107 0.000 0.864 300 R HN 0.225 nan 8.270 nan 0.000 0.440 301 F N 1.647 121.575 119.950 -0.036 0.000 2.113 301 F HA -0.108 4.419 4.527 0.001 0.000 0.297 301 F C 1.902 177.680 175.800 -0.036 0.000 1.103 301 F CA 1.219 59.133 58.000 -0.144 0.000 1.248 301 F CB -0.328 38.538 39.000 -0.224 0.000 0.999 301 F HN -0.153 nan 8.300 nan 0.000 0.475 302 I N -0.643 119.766 120.570 -0.267 0.000 2.208 302 I HA -0.326 3.844 4.170 0.001 0.000 0.245 302 I C 2.344 178.466 176.117 0.008 0.000 1.097 302 I CA 1.691 62.830 61.300 -0.269 0.000 1.363 302 I CB -0.786 37.184 38.000 -0.051 0.000 1.051 302 I HN 0.259 nan 8.210 nan 0.000 0.413 303 Y N 1.961 122.242 120.300 -0.030 0.000 2.181 303 Y HA -0.260 4.290 4.550 0.001 0.000 0.288 303 Y C 2.375 178.304 175.900 0.048 0.000 1.146 303 Y CA 1.680 59.792 58.100 0.021 0.000 1.164 303 Y CB -0.346 38.111 38.460 -0.004 0.000 0.982 303 Y HN 0.190 nan 8.280 nan 0.000 0.515 304 E N -0.419 119.737 120.200 -0.074 0.000 2.150 304 E HA -0.179 4.172 4.350 0.001 0.000 0.193 304 E C 2.029 178.645 176.600 0.026 0.000 0.985 304 E CA 1.042 57.401 56.400 -0.068 0.000 0.814 304 E CB -0.009 29.777 29.700 0.143 0.000 0.752 304 E HN 0.502 nan 8.360 nan 0.000 0.466 305 E N 0.309 120.517 120.200 0.014 0.000 2.107 305 E HA -0.112 4.239 4.350 0.001 0.000 0.191 305 E C 2.264 179.035 176.600 0.286 0.000 0.982 305 E CA 0.571 57.118 56.400 0.245 0.000 0.809 305 E CB -0.010 29.763 29.700 0.122 0.000 0.756 305 E HN 0.128 nan 8.360 nan 0.000 0.459 306 V N 1.477 121.466 119.914 0.126 0.000 2.358 306 V HA -0.258 3.863 4.120 0.001 0.000 0.246 306 V C 2.418 178.486 176.094 -0.045 0.000 1.047 306 V CA 1.639 63.903 62.300 -0.061 0.000 1.035 306 V CB -0.466 31.334 31.823 -0.038 0.000 0.658 306 V HN 0.241 nan 8.190 nan 0.000 0.452 307 Q N -0.380 119.333 119.800 -0.145 0.000 2.084 307 Q HA -0.252 4.088 4.340 0.001 0.000 0.202 307 Q C 2.485 178.510 176.000 0.042 0.000 0.978 307 Q CA 1.946 57.673 55.803 -0.126 0.000 0.844 307 Q CB -0.244 28.334 28.738 -0.267 0.000 0.898 307 Q HN 0.519 nan 8.270 nan 0.000 0.426 308 R N -0.421 120.170 120.500 0.151 0.000 2.096 308 R HA -0.193 4.147 4.340 0.001 0.000 0.235 308 R C 2.080 178.625 176.300 0.409 0.000 1.127 308 R CA 1.241 57.515 56.100 0.290 0.000 0.968 308 R CB -0.226 30.314 30.300 0.400 0.000 0.861 308 R HN 0.305 nan 8.270 nan 0.000 0.440 309 Y N 1.363 121.749 120.300 0.144 0.000 2.200 309 Y HA -0.134 4.417 4.550 0.001 0.000 0.290 309 Y C 1.663 177.486 175.900 -0.128 0.000 1.137 309 Y CA 1.877 59.835 58.100 -0.238 0.000 1.163 309 Y CB 0.118 38.162 38.460 -0.693 0.000 0.988 309 Y HN 0.146 nan 8.280 nan 0.000 0.518 310 E N 0.096 120.348 120.200 0.086 0.000 2.265 310 E HA -0.214 4.136 4.350 0.001 0.000 0.196 310 E C 1.950 178.542 176.600 -0.013 0.000 0.996 310 E CA 1.063 57.483 56.400 0.033 0.000 0.832 310 E CB -0.041 29.697 29.700 0.062 0.000 0.756 310 E HN 0.477 nan 8.360 nan 0.000 0.491 311 K N 1.177 121.586 120.400 0.015 0.000 2.141 311 K HA -0.059 4.262 4.320 0.001 0.000 0.202 311 K C 1.474 178.076 176.600 0.004 0.000 1.045 311 K CA 0.765 57.063 56.287 0.019 0.000 0.971 311 K CB 0.295 32.824 32.500 0.048 0.000 0.795 311 K HN -0.022 nan 8.250 nan 0.000 0.459 312 E N -0.291 119.934 120.200 0.041 0.000 2.442 312 E HA 0.013 4.364 4.350 0.001 0.000 0.195 312 E C 1.504 178.071 176.600 -0.056 0.000 1.030 312 E CA 0.083 56.513 56.400 0.051 0.000 0.869 312 E CB 0.618 30.434 29.700 0.193 0.000 0.857 312 E HN 0.122 nan 8.360 nan 0.000 0.505 313 R N -0.188 120.144 120.500 -0.280 0.000 2.096 313 R HA 0.397 4.737 4.340 0.001 0.000 0.130 313 R C 0.030 176.116 176.300 -0.358 0.000 1.990 313 R CA 0.075 55.891 56.100 -0.473 0.000 1.660 313 R CB 0.176 29.747 30.300 -1.216 0.000 1.387 313 R HN 0.017 nan 8.270 nan 0.000 0.482 314 V N -0.072 119.575 119.914 -0.445 0.000 3.178 314 V HA 0.743 4.863 4.120 0.001 0.000 0.302 314 V C -1.901 174.173 176.094 -0.033 0.000 1.262 314 V CA -0.681 61.524 62.300 -0.159 0.000 1.030 314 V CB 2.174 33.946 31.823 -0.086 0.000 1.074 314 V HN 0.563 nan 8.190 nan 0.000 0.438 315 A N 4.165 126.995 122.820 0.017 0.000 2.330 315 A HA 0.977 5.297 4.320 0.001 0.000 0.313 315 A C -0.647 176.982 177.584 0.075 0.000 1.124 315 A CA -0.225 51.853 52.037 0.069 0.000 0.774 315 A CB 1.043 20.077 19.000 0.057 0.000 1.198 315 A HN 1.408 nan 8.150 nan 0.000 0.465 316 N N 1.077 119.843 118.700 0.110 0.000 3.526 316 N HA 0.155 4.895 4.740 0.001 0.000 0.328 316 N C 0.160 175.771 175.510 0.169 0.000 1.601 316 N CA -0.624 52.489 53.050 0.105 0.000 0.834 316 N CB 0.062 38.595 38.487 0.077 0.000 1.983 316 N HN 0.240 nan 8.380 nan 0.000 0.579 317 N N -0.492 118.303 118.700 0.158 0.000 2.309 317 N HA -0.011 4.729 4.740 0.001 0.000 0.182 317 N C 0.657 176.386 175.510 0.366 0.000 1.018 317 N CA 0.944 54.147 53.050 0.255 0.000 0.876 317 N CB 0.002 38.576 38.487 0.145 0.000 0.972 317 N HN 0.519 nan 8.380 nan 0.000 0.434 318 S N -0.628 115.220 115.700 0.246 0.000 2.395 318 S HA -0.070 4.400 4.470 0.001 0.000 0.225 318 S C 2.032 176.813 174.600 0.303 0.000 1.027 318 S CA 1.392 59.769 58.200 0.296 0.000 0.965 318 S CB -0.159 63.146 63.200 0.174 0.000 0.812 318 S HN 0.630 nan 8.310 nan 0.000 0.482 319 T N -0.514 114.151 114.554 0.185 0.000 2.867 319 T HA -0.132 4.218 4.350 0.001 0.000 0.268 319 T C 1.685 176.490 174.700 0.174 0.000 1.057 319 T CA 1.095 63.234 62.100 0.065 0.000 1.136 319 T CB -0.596 68.309 68.868 0.062 0.000 0.874 319 T HN 0.493 nan 8.240 nan 0.000 0.466 320 Y N 0.021 120.439 120.300 0.197 0.000 2.220 320 Y HA 0.096 4.647 4.550 0.001 0.000 0.291 320 Y C 2.370 178.452 175.900 0.303 0.000 1.129 320 Y CA 0.422 58.662 58.100 0.233 0.000 1.161 320 Y CB -0.546 38.058 38.460 0.239 0.000 0.997 320 Y HN 0.232 nan 8.280 nan 0.000 0.522 321 W N 0.289 121.639 121.300 0.083 0.000 2.350 321 W HA -0.217 4.444 4.660 0.001 0.000 0.289 321 W C 2.272 178.929 176.519 0.229 0.000 1.215 321 W CA 1.928 59.334 57.345 0.101 0.000 1.236 321 W CB -0.429 29.178 29.460 0.246 0.000 1.130 321 W HN 0.108 nan 8.180 nan 0.000 0.541 322 V N 1.279 121.319 119.914 0.211 0.000 2.490 322 V HA -0.276 3.844 4.120 0.001 0.000 0.250 322 V C 2.096 178.196 176.094 0.009 0.000 1.061 322 V CA 1.740 63.998 62.300 -0.070 0.000 1.064 322 V CB -0.380 31.304 31.823 -0.231 0.000 0.670 322 V HN 0.076 nan 8.190 nan 0.000 0.461 323 L N -1.261 119.941 121.223 -0.035 0.000 2.109 323 L HA -0.079 4.262 4.340 0.001 0.000 0.207 323 L C 2.349 179.167 176.870 -0.087 0.000 1.086 323 L CA 1.869 56.692 54.840 -0.028 0.000 0.760 323 L CB -0.758 41.293 42.059 -0.012 0.000 0.910 323 L HN 0.437 nan 8.230 nan 0.000 0.437 324 F N 1.394 121.045 119.950 -0.499 0.000 2.120 324 F HA -0.255 4.272 4.527 0.001 0.000 0.300 324 F C 2.559 178.292 175.800 -0.112 0.000 1.095 324 F CA 1.680 59.370 58.000 -0.516 0.000 1.249 324 F CB 0.027 38.309 39.000 -1.197 0.000 0.995 324 F HN 0.036 nan 8.300 nan 0.000 0.480 325 E N 0.516 120.833 120.200 0.195 0.000 2.152 325 E HA -0.124 4.226 4.350 0.001 0.000 0.192 325 E C 2.430 179.182 176.600 0.253 0.000 0.983 325 E CA 0.949 57.547 56.400 0.329 0.000 0.818 325 E CB -0.570 29.353 29.700 0.371 0.000 0.758 325 E HN 0.490 nan 8.360 nan 0.000 0.467 326 L N 0.556 121.882 121.223 0.171 0.000 2.201 326 L HA -0.077 4.264 4.340 0.001 0.000 0.212 326 L C 2.334 179.324 176.870 0.199 0.000 1.105 326 L CA 0.568 55.513 54.840 0.174 0.000 0.775 326 L CB -0.233 41.910 42.059 0.139 0.000 0.913 326 L HN 0.087 nan 8.230 nan 0.000 0.440 327 I N -1.964 118.710 120.570 0.173 0.000 2.546 327 I HA -0.257 3.914 4.170 0.001 0.000 0.255 327 I C 2.054 178.362 176.117 0.317 0.000 1.163 327 I CA 1.222 62.668 61.300 0.244 0.000 1.457 327 I CB -0.194 37.851 38.000 0.076 0.000 1.092 327 I HN 0.351 nan 8.210 nan 0.000 0.434 328 W N 1.228 122.604 121.300 0.128 0.000 2.388 328 W HA -0.145 4.515 4.660 0.001 0.000 0.294 328 W C 2.866 179.426 176.519 0.070 0.000 1.212 328 W CA 1.070 58.402 57.345 -0.021 0.000 1.271 328 W CB -0.111 29.218 29.460 -0.219 0.000 1.126 328 W HN 0.008 nan 8.180 nan 0.000 0.535 329 R N 0.573 121.287 120.500 0.357 0.000 2.073 329 R HA -0.179 4.161 4.340 0.001 0.000 0.234 329 R C 1.642 178.036 176.300 0.156 0.000 1.134 329 R CA 2.283 58.535 56.100 0.255 0.000 0.952 329 R CB -0.592 29.814 30.300 0.176 0.000 0.850 329 R HN 0.002 nan 8.270 nan 0.000 0.433 330 D N -0.469 120.036 120.400 0.175 0.000 2.104 330 D HA -0.210 4.430 4.640 0.001 0.000 0.194 330 D C 1.560 177.854 176.300 -0.011 0.000 0.994 330 D CA 1.269 55.328 54.000 0.098 0.000 0.830 330 D CB -0.417 40.664 40.800 0.468 0.000 0.959 330 D HN 0.251 nan 8.370 nan 0.000 0.452 331 Y N 0.257 120.481 120.300 -0.128 0.000 2.114 331 Y HA -0.258 4.293 4.550 0.001 0.000 0.282 331 Y C 1.996 177.677 175.900 -0.364 0.000 1.165 331 Y CA 1.400 59.157 58.100 -0.572 0.000 1.148 331 Y CB -0.660 37.395 38.460 -0.674 0.000 0.972 331 Y HN -0.072 nan 8.280 nan 0.000 0.504 332 F N -0.083 119.777 119.950 -0.151 0.000 2.234 332 F HA -0.093 4.435 4.527 0.001 0.000 0.299 332 F C 2.553 178.229 175.800 -0.207 0.000 1.087 332 F CA 1.551 59.417 58.000 -0.224 0.000 1.340 332 F CB -0.745 38.202 39.000 -0.088 0.000 1.031 332 F HN 0.002 nan 8.300 nan 0.000 0.500 333 R N 0.197 120.665 120.500 -0.054 0.000 2.066 333 R HA -0.144 4.196 4.340 0.001 0.000 0.232 333 R C 1.928 178.171 176.300 -0.095 0.000 1.131 333 R CA 1.841 57.861 56.100 -0.134 0.000 0.955 333 R CB -1.160 28.965 30.300 -0.290 0.000 0.851 333 R HN 0.151 nan 8.270 nan 0.000 0.432 334 F N 0.056 120.020 119.950 0.025 0.000 2.186 334 F HA 0.000 4.528 4.527 0.001 0.000 0.299 334 F C 1.944 177.678 175.800 -0.111 0.000 1.090 334 F CA 0.565 58.560 58.000 -0.008 0.000 1.307 334 F CB -0.799 38.173 39.000 -0.046 0.000 1.019 334 F HN 0.058 nan 8.300 nan 0.000 0.489 335 L N 0.296 121.448 121.223 -0.119 0.000 2.131 335 L HA -0.179 4.162 4.340 0.001 0.000 0.210 335 L C 2.624 179.463 176.870 -0.051 0.000 1.092 335 L CA 1.829 56.553 54.840 -0.193 0.000 0.759 335 L CB -1.138 40.674 42.059 -0.411 0.000 0.903 335 L HN 0.229 nan 8.230 nan 0.000 0.435 336 S N -1.303 114.392 115.700 -0.007 0.000 2.399 336 S HA -0.163 4.308 4.470 0.001 0.000 0.231 336 S C 2.026 176.648 174.600 0.037 0.000 1.022 336 S CA 1.382 59.577 58.200 -0.009 0.000 0.983 336 S CB -0.768 62.439 63.200 0.012 0.000 0.803 336 S HN 0.485 nan 8.310 nan 0.000 0.480 337 I N 1.569 122.204 120.570 0.108 0.000 2.286 337 I HA -0.075 4.095 4.170 0.001 0.000 0.245 337 I C 2.794 179.006 176.117 0.158 0.000 1.104 337 I CA 1.353 62.751 61.300 0.164 0.000 1.397 337 I CB -0.267 37.869 38.000 0.226 0.000 1.072 337 I HN 0.314 nan 8.210 nan 0.000 0.417 338 K N 0.569 121.036 120.400 0.113 0.000 2.097 338 K HA -0.160 4.160 4.320 0.001 0.000 0.205 338 K C 2.177 178.754 176.600 -0.039 0.000 1.050 338 K CA 1.559 57.878 56.287 0.055 0.000 0.938 338 K CB -0.028 32.480 32.500 0.012 0.000 0.718 338 K HN 0.355 nan 8.250 nan 0.000 0.442 339 C N 0.246 119.521 119.300 -0.041 0.000 2.485 339 C HA 0.216 4.676 4.460 0.001 0.000 0.278 339 C C 1.506 176.444 174.990 -0.087 0.000 1.356 339 C CA 0.278 59.250 59.018 -0.075 0.000 1.747 339 C CB -1.001 26.683 27.740 -0.094 0.000 2.001 339 C HN 0.853 nan 8.230 nan 0.000 0.501 340 G N 1.480 110.246 108.800 -0.056 0.000 2.564 340 G HA2 -0.304 3.656 3.960 0.001 0.000 0.273 340 G HA3 -0.304 3.656 3.960 0.001 0.000 0.273 340 G C 0.405 175.236 174.900 -0.116 0.000 1.242 340 G CA 0.526 45.607 45.100 -0.031 0.000 0.951 340 G HN 0.362 nan 8.290 nan 0.000 0.564 341 N N 1.418 120.076 118.700 -0.070 0.000 2.571 341 N HA -0.022 4.718 4.740 0.001 0.000 0.189 341 N C 2.410 177.583 175.510 -0.561 0.000 1.154 341 N CA 1.482 54.452 53.050 -0.133 0.000 0.907 341 N CB -0.161 38.326 38.487 0.000 0.000 0.977 341 N HN 0.840 nan 8.380 nan 0.000 0.449 342 S N 0.042 115.515 115.700 -0.377 0.000 2.507 342 S HA -0.053 4.418 4.470 0.001 0.000 0.235 342 S C 1.775 176.226 174.600 -0.248 0.000 0.988 342 S CA 0.136 58.166 58.200 -0.283 0.000 0.944 342 S CB -0.277 62.892 63.200 -0.052 0.000 0.762 342 S HN 0.218 nan 8.310 nan 0.000 0.526 343 L N 0.216 121.184 121.223 -0.426 0.000 2.275 343 L HA 0.271 4.612 4.340 0.001 0.000 0.215 343 L C 1.127 177.754 176.870 -0.405 0.000 1.119 343 L CA 1.529 56.075 54.840 -0.491 0.000 0.790 343 L CB -0.634 40.911 42.059 -0.855 0.000 0.919 343 L HN 0.325 nan 8.230 nan 0.000 0.443 344 F N -2.245 117.663 119.950 -0.070 0.000 2.704 344 F HA 0.262 4.789 4.527 0.001 0.000 0.304 344 F C 0.985 176.864 175.800 0.132 0.000 1.094 344 F CA -0.726 57.259 58.000 -0.026 0.000 1.275 344 F CB -0.691 38.132 39.000 -0.296 0.000 1.073 344 F HN 0.019 nan 8.300 nan 0.000 0.586 345 H N 0.259 119.489 119.070 0.267 0.000 2.562 345 H HA 0.116 4.673 4.556 0.001 0.000 0.352 345 H C 1.172 176.586 175.328 0.143 0.000 1.125 345 H CA -0.765 55.366 56.048 0.139 0.000 1.379 345 H CB 1.699 31.528 29.762 0.112 0.000 1.464 345 H HN -0.033 nan 8.280 nan 0.000 0.563 346 L N 2.626 123.861 121.223 0.020 0.000 2.043 346 L HA -0.133 4.208 4.340 0.001 0.000 0.212 346 L C 2.273 179.256 176.870 0.188 0.000 1.075 346 L CA 2.298 57.063 54.840 -0.126 0.000 0.752 346 L CB -0.883 40.959 42.059 -0.362 0.000 0.891 346 L HN 0.857 nan 8.230 nan 0.000 0.432 347 G N -1.716 107.193 108.800 0.181 0.000 2.598 347 G HA2 0.307 4.268 3.960 0.001 0.000 0.215 347 G HA3 0.307 4.268 3.960 0.001 0.000 0.215 347 G C 0.932 175.968 174.900 0.226 0.000 1.131 347 G CA 0.532 45.761 45.100 0.215 0.000 0.785 347 G HN 0.939 nan 8.290 nan 0.000 0.539 348 G N -0.155 108.810 108.800 0.276 0.000 2.804 348 G HA2 -0.175 3.785 3.960 0.001 0.000 0.230 348 G HA3 -0.175 3.785 3.960 0.001 0.000 0.230 348 G C -1.149 173.816 174.900 0.109 0.000 1.386 348 G CA -0.094 45.116 45.100 0.183 0.000 0.875 348 G HN 0.102 nan 8.290 nan 0.000 0.557 349 P HA -0.048 nan 4.420 nan 0.000 0.218 349 P C 1.867 179.190 177.300 0.039 0.000 1.148 349 P CA 1.628 64.746 63.100 0.030 0.000 0.822 349 P CB 0.003 31.714 31.700 0.018 0.000 0.784 350 R N -1.029 119.498 120.500 0.045 0.000 2.193 350 R HA -0.011 4.330 4.340 0.001 0.000 0.213 350 R C 0.350 176.687 176.300 0.062 0.000 1.055 350 R CA 0.369 56.495 56.100 0.042 0.000 0.995 350 R CB -0.442 29.877 30.300 0.033 0.000 0.893 350 R HN 0.001 nan 8.270 nan 0.000 0.459 351 N N 0.732 119.486 118.700 0.090 0.000 2.758 351 N HA -0.152 4.589 4.740 0.001 0.000 0.248 351 N C -0.475 175.102 175.510 0.112 0.000 1.076 351 N CA 0.876 53.989 53.050 0.105 0.000 0.696 351 N CB -1.368 37.167 38.487 0.080 0.000 0.979 351 N HN 0.214 nan 8.380 nan 0.000 0.550 352 V N -0.082 119.917 119.914 0.142 0.000 2.872 352 V HA 0.220 4.340 4.120 0.001 0.000 0.307 352 V C 0.582 176.791 176.094 0.191 0.000 1.072 352 V CA 0.178 62.572 62.300 0.156 0.000 1.148 352 V CB 1.355 33.294 31.823 0.193 0.000 0.954 352 V HN 0.188 nan 8.190 nan 0.000 0.490 353 Q N 3.535 123.426 119.800 0.151 0.000 2.222 353 Q HA 0.860 5.201 4.340 0.001 0.000 0.252 353 Q C 0.282 176.388 176.000 0.176 0.000 0.926 353 Q CA 0.394 56.288 55.803 0.153 0.000 0.899 353 Q CB 1.519 30.312 28.738 0.092 0.000 1.250 353 Q HN 1.404 nan 8.270 nan 0.000 0.441 354 G N 0.626 109.553 108.800 0.212 0.000 2.351 354 G HA2 0.035 3.995 3.960 0.001 0.000 0.279 354 G HA3 0.035 3.995 3.960 0.001 0.000 0.279 354 G C -0.340 174.687 174.900 0.211 0.000 1.297 354 G CA -0.786 44.411 45.100 0.161 0.000 0.886 354 G HN 0.329 nan 8.290 nan 0.000 0.493 355 K N -0.786 119.599 120.400 -0.025 0.000 2.608 355 K HA -0.099 4.221 4.320 0.001 0.000 0.281 355 K C 0.239 176.976 176.600 0.229 0.000 0.670 355 K CA 1.827 58.054 56.287 -0.100 0.000 0.845 355 K CB -0.731 31.508 32.500 -0.434 0.000 0.275 355 K HN 1.379 nan 8.250 nan 0.000 1.060 356 W N -1.027 120.273 121.300 0.000 0.000 3.083 356 W HA -0.165 4.496 4.660 0.001 0.000 0.449 356 W C 0.269 176.766 176.519 -0.037 0.000 1.853 356 W CA 0.347 57.682 57.345 -0.015 0.000 0.460 356 W CB -2.143 27.314 29.460 -0.005 0.000 2.859 356 W HN 0.452 nan 8.180 nan 0.000 0.418 357 S N 1.971 117.780 115.700 0.181 0.000 2.652 357 S HA 0.558 5.028 4.470 0.001 0.000 0.270 357 S C 0.598 175.218 174.600 0.033 0.000 1.243 357 S CA -0.169 58.079 58.200 0.080 0.000 0.999 357 S CB 1.201 64.427 63.200 0.044 0.000 0.973 357 S HN 0.522 nan 8.310 nan 0.000 0.544 358 Q N 0.870 120.671 119.800 0.001 0.000 2.106 358 Q HA 0.163 4.503 4.340 0.001 0.000 0.273 358 Q C -1.107 174.877 176.000 -0.027 0.000 0.853 358 Q CA -0.382 55.388 55.803 -0.055 0.000 1.118 358 Q CB 0.437 29.171 28.738 -0.006 0.000 1.240 358 Q HN 0.727 nan 8.270 nan 0.000 0.445 359 D N 1.611 122.015 120.400 0.007 0.000 2.455 359 D HA -0.120 4.521 4.640 0.001 0.000 0.265 359 D C 0.939 177.280 176.300 0.067 0.000 1.284 359 D CA 0.678 54.699 54.000 0.035 0.000 0.944 359 D CB 1.143 41.966 40.800 0.039 0.000 1.121 359 D HN 0.136 nan 8.370 nan 0.000 0.525 360 Q N 4.444 124.288 119.800 0.074 0.000 2.135 360 Q HA -0.168 4.173 4.340 0.001 0.000 0.204 360 Q C 1.709 177.797 176.000 0.147 0.000 0.981 360 Q CA 1.569 57.449 55.803 0.128 0.000 0.856 360 Q CB 0.118 28.920 28.738 0.106 0.000 0.902 360 Q HN 0.488 nan 8.270 nan 0.000 0.425 361 K N -0.560 119.896 120.400 0.094 0.000 2.026 361 K HA -0.095 4.225 4.320 0.001 0.000 0.208 361 K C 2.058 178.707 176.600 0.082 0.000 1.048 361 K CA 1.264 57.594 56.287 0.073 0.000 0.929 361 K CB -0.228 32.303 32.500 0.052 0.000 0.713 361 K HN 0.249 nan 8.250 nan 0.000 0.439 362 L N 0.087 121.366 121.223 0.094 0.000 2.012 362 L HA -0.226 4.114 4.340 0.001 0.000 0.210 362 L C 2.414 179.366 176.870 0.138 0.000 1.073 362 L CA 1.335 56.238 54.840 0.105 0.000 0.748 362 L CB -0.439 41.667 42.059 0.078 0.000 0.891 362 L HN 0.191 nan 8.230 nan 0.000 0.431 363 F N 1.109 121.062 119.950 0.005 0.000 2.126 363 F HA -0.259 4.269 4.527 0.001 0.000 0.299 363 F C 2.401 178.233 175.800 0.053 0.000 1.096 363 F CA 1.829 59.829 58.000 -0.000 0.000 1.255 363 F CB -0.252 38.693 39.000 -0.092 0.000 0.997 363 F HN 0.077 nan 8.300 nan 0.000 0.479 364 E N -0.205 119.916 120.200 -0.131 0.000 2.153 364 E HA -0.194 4.156 4.350 0.001 0.000 0.194 364 E C 2.340 178.812 176.600 -0.214 0.000 0.988 364 E CA 1.371 57.609 56.400 -0.269 0.000 0.811 364 E CB -0.223 29.433 29.700 -0.072 0.000 0.746 364 E HN 0.570 nan 8.360 nan 0.000 0.466 365 S N -0.172 115.493 115.700 -0.059 0.000 2.406 365 S HA -0.165 4.305 4.470 0.001 0.000 0.228 365 S C 1.676 176.306 174.600 0.051 0.000 1.020 365 S CA 0.460 58.666 58.200 0.010 0.000 0.965 365 S CB -0.489 62.766 63.200 0.092 0.000 0.798 365 S HN 0.484 nan 8.310 nan 0.000 0.488 366 W N 2.786 124.002 121.300 -0.139 0.000 2.408 366 W HA 0.103 4.764 4.660 0.001 0.000 0.311 366 W C 2.704 179.079 176.519 -0.240 0.000 1.190 366 W CA 1.349 58.647 57.345 -0.077 0.000 1.321 366 W CB -0.412 29.033 29.460 -0.025 0.000 1.143 366 W HN 0.172 nan 8.180 nan 0.000 0.501 367 R N 0.215 120.470 120.500 -0.410 0.000 2.103 367 R HA -0.180 4.160 4.340 0.001 0.000 0.242 367 R C 0.888 176.909 176.300 -0.466 0.000 1.142 367 R CA 2.110 57.737 56.100 -0.788 0.000 0.960 367 R CB -0.719 28.725 30.300 -1.427 0.000 0.858 367 R HN 0.109 nan 8.270 nan 0.000 0.439 368 D N -0.392 119.808 120.400 -0.335 0.000 2.325 368 D HA 0.128 4.769 4.640 0.001 0.000 0.225 368 D C 0.172 176.395 176.300 -0.129 0.000 1.096 368 D CA 0.773 54.657 54.000 -0.192 0.000 0.844 368 D CB 0.728 41.435 40.800 -0.155 0.000 0.925 368 D HN 0.347 nan 8.370 nan 0.000 0.513 369 A N 1.082 123.812 122.820 -0.151 0.000 2.791 369 A HA -0.281 4.040 4.320 0.001 0.000 0.292 369 A C 0.505 178.074 177.584 -0.026 0.000 1.487 369 A CA 0.822 52.804 52.037 -0.093 0.000 0.760 369 A CB -2.204 16.748 19.000 -0.079 0.000 1.031 369 A HN 0.330 nan 8.150 nan 0.000 0.503 370 K N -0.424 119.964 120.400 -0.019 0.000 3.271 370 K HA 0.242 4.563 4.320 0.001 0.000 0.192 370 K C 1.223 177.849 176.600 0.042 0.000 1.108 370 K CA 0.431 56.703 56.287 -0.025 0.000 0.902 370 K CB 0.317 32.780 32.500 -0.061 0.000 0.889 370 K HN 0.670 nan 8.250 nan 0.000 0.520 371 T N -3.367 111.263 114.554 0.126 0.000 3.057 371 T HA 0.131 4.481 4.350 0.001 0.000 0.254 371 T C 1.518 176.327 174.700 0.182 0.000 1.094 371 T CA 0.696 62.951 62.100 0.258 0.000 1.088 371 T CB 0.271 69.370 68.868 0.385 0.000 0.934 371 T HN 0.414 nan 8.240 nan 0.000 0.497 372 G N 0.520 109.391 108.800 0.119 0.000 2.175 372 G HA2 -0.209 3.752 3.960 0.001 0.000 0.244 372 G HA3 -0.209 3.752 3.960 0.001 0.000 0.244 372 G C -0.254 174.599 174.900 -0.078 0.000 0.982 372 G CA -0.094 45.023 45.100 0.028 0.000 0.641 372 G HN 0.606 nan 8.290 nan 0.000 0.527 373 Y N 0.205 120.614 120.300 0.182 0.000 2.402 373 Y HA 0.471 5.022 4.550 0.001 0.000 0.332 373 Y C -1.118 174.760 175.900 -0.037 0.000 0.960 373 Y CA -2.069 56.047 58.100 0.027 0.000 1.228 373 Y CB 1.868 40.267 38.460 -0.101 0.000 1.120 373 Y HN -0.044 nan 8.280 nan 0.000 0.491 374 P HA -0.277 nan 4.420 nan 0.000 0.215 374 P C 1.834 179.178 177.300 0.074 0.000 1.163 374 P CA 1.277 64.297 63.100 -0.133 0.000 0.894 374 P CB 0.357 31.913 31.700 -0.239 0.000 0.791 375 L N -0.988 120.352 121.223 0.195 0.000 2.013 375 L HA -0.190 4.151 4.340 0.001 0.000 0.212 375 L C 2.119 179.050 176.870 0.101 0.000 1.073 375 L CA 2.035 57.006 54.840 0.219 0.000 0.753 375 L CB -1.310 40.841 42.059 0.153 0.000 0.890 375 L HN -0.118 nan 8.230 nan 0.000 0.432 376 I N -0.249 120.312 120.570 -0.014 0.000 2.113 376 I HA -0.261 3.909 4.170 0.001 0.000 0.238 376 I C 2.255 178.317 176.117 -0.092 0.000 1.070 376 I CA 1.457 62.677 61.300 -0.134 0.000 1.332 376 I CB -1.622 36.134 38.000 -0.407 0.000 1.044 376 I HN 0.311 nan 8.210 nan 0.000 0.402 377 D N 1.158 121.541 120.400 -0.028 0.000 2.144 377 D HA -0.127 4.514 4.640 0.001 0.000 0.199 377 D C 2.251 178.523 176.300 -0.047 0.000 0.984 377 D CA 1.553 55.543 54.000 -0.017 0.000 0.834 377 D CB -0.097 40.775 40.800 0.121 0.000 0.955 377 D HN 0.321 nan 8.370 nan 0.000 0.465 378 A N 1.397 124.211 122.820 -0.009 0.000 1.883 378 A HA -0.218 4.102 4.320 0.001 0.000 0.217 378 A C 2.067 179.515 177.584 -0.227 0.000 1.186 378 A CA 1.389 53.377 52.037 -0.081 0.000 0.624 378 A CB -0.511 18.439 19.000 -0.083 0.000 0.822 378 A HN 0.150 nan 8.150 nan 0.000 0.444 379 N N -0.565 118.120 118.700 -0.025 0.000 2.084 379 N HA -0.128 4.612 4.740 0.001 0.000 0.190 379 N C 1.708 177.063 175.510 -0.257 0.000 1.030 379 N CA 1.733 54.734 53.050 -0.081 0.000 0.849 379 N CB -0.326 38.141 38.487 -0.033 0.000 1.012 379 N HN 0.321 nan 8.380 nan 0.000 0.423 380 M N 1.235 120.674 119.600 -0.269 0.000 2.213 380 M HA -0.086 4.394 4.480 0.001 0.000 0.263 380 M C 2.021 178.155 176.300 -0.276 0.000 1.062 380 M CA 1.089 56.193 55.300 -0.328 0.000 1.105 380 M CB -0.907 31.433 32.600 -0.434 0.000 1.385 380 M HN 0.113 nan 8.290 nan 0.000 0.417 381 K N 0.326 120.551 120.400 -0.292 0.000 2.062 381 K HA -0.164 4.156 4.320 0.001 0.000 0.205 381 K C 1.996 178.281 176.600 -0.525 0.000 1.051 381 K CA 1.250 57.368 56.287 -0.280 0.000 0.941 381 K CB -0.004 32.401 32.500 -0.159 0.000 0.719 381 K HN 0.340 nan 8.250 nan 0.000 0.440 382 E N 0.583 120.212 120.200 -0.952 0.000 2.085 382 E HA -0.237 4.114 4.350 0.001 0.000 0.194 382 E C 2.057 178.379 176.600 -0.463 0.000 0.994 382 E CA 1.169 56.846 56.400 -1.204 0.000 0.801 382 E CB -0.063 29.051 29.700 -0.976 0.000 0.743 382 E HN 0.229 nan 8.360 nan 0.000 0.453 383 L N 1.066 122.066 121.223 -0.371 0.000 1.989 383 L HA -0.196 4.145 4.340 0.001 0.000 0.211 383 L C 2.488 179.220 176.870 -0.231 0.000 1.071 383 L CA 2.640 57.294 54.840 -0.311 0.000 0.749 383 L CB -0.827 40.995 42.059 -0.396 0.000 0.890 383 L HN 0.218 nan 8.230 nan 0.000 0.431 384 S N -2.877 112.726 115.700 -0.161 0.000 2.447 384 S HA -0.128 4.342 4.470 0.001 0.000 0.233 384 S C 1.670 176.253 174.600 -0.028 0.000 1.006 384 S CA 1.335 59.497 58.200 -0.062 0.000 0.957 384 S CB -0.979 62.259 63.200 0.063 0.000 0.773 384 S HN 0.577 nan 8.310 nan 0.000 0.507 385 T N 1.790 116.324 114.554 -0.033 0.000 2.976 385 T HA 0.045 4.396 4.350 0.001 0.000 0.257 385 T C 2.081 176.848 174.700 0.113 0.000 1.051 385 T CA 1.486 63.630 62.100 0.073 0.000 1.141 385 T CB -0.275 68.704 68.868 0.184 0.000 0.881 385 T HN 0.807 nan 8.240 nan 0.000 0.461 386 T N -1.942 112.670 114.554 0.097 0.000 2.969 386 T HA 0.450 4.801 4.350 0.001 0.000 0.250 386 T C 1.753 176.519 174.700 0.110 0.000 1.021 386 T CA 0.774 62.980 62.100 0.175 0.000 1.003 386 T CB 0.231 69.288 68.868 0.314 0.000 1.040 386 T HN 0.477 nan 8.240 nan 0.000 0.492 387 G N 1.133 109.927 108.800 -0.010 0.000 2.136 387 G HA2 -0.161 3.799 3.960 0.001 0.000 0.242 387 G HA3 -0.161 3.799 3.960 0.001 0.000 0.242 387 G C -0.228 174.618 174.900 -0.091 0.000 0.989 387 G CA 0.181 45.217 45.100 -0.106 0.000 0.682 387 G HN 0.751 nan 8.290 nan 0.000 0.522 388 F N -0.293 119.547 119.950 -0.183 0.000 2.613 388 F HA 0.843 5.371 4.527 0.001 0.000 0.310 388 F C -0.504 175.211 175.800 -0.142 0.000 1.085 388 F CA -1.209 56.688 58.000 -0.172 0.000 0.945 388 F CB 1.856 40.852 39.000 -0.007 0.000 1.298 388 F HN 0.160 nan 8.300 nan 0.000 0.455 389 M N 3.979 122.988 119.600 -0.985 0.000 2.470 389 M HA 0.410 4.891 4.480 0.001 0.000 0.285 389 M C -1.119 174.719 176.300 -0.770 0.000 1.213 389 M CA -0.619 54.326 55.300 -0.591 0.000 0.901 389 M CB 2.189 34.490 32.600 -0.499 0.000 1.718 389 M HN 0.755 nan 8.290 nan 0.000 0.469 390 S N 1.985 117.538 115.700 -0.246 0.000 2.579 390 S HA 0.091 4.561 4.470 0.001 0.000 0.275 390 S C 0.513 174.988 174.600 -0.208 0.000 1.345 390 S CA 0.175 58.334 58.200 -0.068 0.000 1.031 390 S CB 0.835 63.979 63.200 -0.093 0.000 0.892 390 S HN 0.914 nan 8.310 nan 0.000 0.529 391 N N 1.522 120.155 118.700 -0.112 0.000 2.104 391 N HA -0.213 4.528 4.740 0.001 0.000 0.190 391 N C 1.853 177.227 175.510 -0.228 0.000 1.024 391 N CA 1.612 54.566 53.050 -0.160 0.000 0.853 391 N CB -0.317 38.123 38.487 -0.078 0.000 1.008 391 N HN 0.691 nan 8.380 nan 0.000 0.424 392 R N 0.051 120.397 120.500 -0.257 0.000 2.083 392 R HA 0.024 4.364 4.340 0.001 0.000 0.237 392 R C 2.160 178.257 176.300 -0.338 0.000 1.137 392 R CA 2.055 57.941 56.100 -0.357 0.000 0.951 392 R CB -1.333 28.666 30.300 -0.500 0.000 0.851 392 R HN 0.342 nan 8.270 nan 0.000 0.434 393 G N 0.220 108.839 108.800 -0.302 0.000 2.418 393 G HA2 -0.246 3.715 3.960 0.001 0.000 0.217 393 G HA3 -0.246 3.715 3.960 0.001 0.000 0.217 393 G C 1.393 176.178 174.900 -0.192 0.000 1.158 393 G CA 0.742 45.698 45.100 -0.241 0.000 0.771 393 G HN 0.362 nan 8.290 nan 0.000 0.545 394 R N 0.110 120.498 120.500 -0.186 0.000 2.105 394 R HA -0.084 4.257 4.340 0.001 0.000 0.239 394 R C 2.773 178.891 176.300 -0.303 0.000 1.135 394 R CA 1.484 57.532 56.100 -0.087 0.000 0.967 394 R CB -0.376 29.890 30.300 -0.056 0.000 0.861 394 R HN 0.471 nan 8.270 nan 0.000 0.442 395 Q N 0.386 119.923 119.800 -0.438 0.000 2.084 395 Q HA -0.113 4.228 4.340 0.001 0.000 0.202 395 Q C 2.218 177.680 176.000 -0.896 0.000 0.978 395 Q CA 1.246 56.626 55.803 -0.706 0.000 0.844 395 Q CB -0.094 28.176 28.738 -0.780 0.000 0.898 395 Q HN 0.399 nan 8.270 nan 0.000 0.426 396 I N 0.554 120.729 120.570 -0.658 0.000 2.202 396 I HA -0.214 3.957 4.170 0.001 0.000 0.242 396 I C 2.414 178.450 176.117 -0.136 0.000 1.091 396 I CA 1.038 62.078 61.300 -0.433 0.000 1.368 396 I CB -0.454 37.416 38.000 -0.217 0.000 1.058 396 I HN 0.126 nan 8.210 nan 0.000 0.410 397 V N -1.638 118.273 119.914 -0.005 0.000 2.759 397 V HA -0.238 3.882 4.120 0.001 0.000 0.256 397 V C 2.408 178.753 176.094 0.419 0.000 1.080 397 V CA 1.549 64.051 62.300 0.337 0.000 1.101 397 V CB -1.172 30.885 31.823 0.389 0.000 0.698 397 V HN 0.659 nan 8.190 nan 0.000 0.477 398 C N 0.366 119.641 119.300 -0.042 0.000 2.476 398 C HA -0.063 4.398 4.460 0.001 0.000 0.278 398 C C 3.134 178.105 174.990 -0.031 0.000 1.274 398 C CA 1.528 60.367 59.018 -0.299 0.000 1.713 398 C CB -0.607 26.591 27.740 -0.903 0.000 2.039 398 C HN 0.700 nan 8.230 nan 0.000 0.484 399 S N -0.716 114.927 115.700 -0.095 0.000 2.382 399 S HA -0.173 4.297 4.470 0.001 0.000 0.228 399 S C 1.653 176.318 174.600 0.109 0.000 1.027 399 S CA 1.763 59.975 58.200 0.020 0.000 0.991 399 S CB -0.711 62.488 63.200 -0.002 0.000 0.823 399 S HN 0.692 nan 8.310 nan 0.000 0.469 400 F N 1.961 121.920 119.950 0.014 0.000 2.075 400 F HA 0.001 4.529 4.527 0.001 0.000 0.297 400 F C 1.988 177.832 175.800 0.074 0.000 1.113 400 F CA 1.757 59.793 58.000 0.061 0.000 1.218 400 F CB -0.671 38.409 39.000 0.134 0.000 0.984 400 F HN 0.270 nan 8.300 nan 0.000 0.472 401 L N -0.585 120.695 121.223 0.095 0.000 2.046 401 L HA -0.179 4.161 4.340 0.001 0.000 0.208 401 L C 1.992 178.810 176.870 -0.087 0.000 1.077 401 L CA 1.460 56.175 54.840 -0.207 0.000 0.747 401 L CB -0.409 41.328 42.059 -0.538 0.000 0.896 401 L HN 0.079 nan 8.230 nan 0.000 0.432 402 V N -0.127 119.834 119.914 0.078 0.000 2.331 402 V HA -0.130 3.991 4.120 0.001 0.000 0.242 402 V C 2.584 178.698 176.094 0.033 0.000 1.034 402 V CA 1.853 64.254 62.300 0.169 0.000 1.027 402 V CB -0.543 31.467 31.823 0.311 0.000 0.667 402 V HN 0.425 nan 8.190 nan 0.000 0.457 403 R N -0.146 120.377 120.500 0.037 0.000 2.075 403 R HA -0.005 4.336 4.340 0.001 0.000 0.220 403 R C 1.953 178.229 176.300 -0.039 0.000 1.118 403 R CA 1.291 57.415 56.100 0.039 0.000 0.986 403 R CB -0.309 30.148 30.300 0.261 0.000 0.884 403 R HN 0.498 nan 8.270 nan 0.000 0.439 404 D N 0.562 120.891 120.400 -0.119 0.000 2.183 404 D HA -0.030 4.611 4.640 0.001 0.000 0.205 404 D C 1.837 177.931 176.300 -0.343 0.000 0.962 404 D CA 1.170 55.015 54.000 -0.258 0.000 0.849 404 D CB 0.163 40.688 40.800 -0.457 0.000 0.978 404 D HN 0.178 nan 8.370 nan 0.000 0.488 405 M N -0.487 118.857 119.600 -0.426 0.000 2.510 405 M HA 0.152 4.633 4.480 0.001 0.000 0.256 405 M C 1.048 177.267 176.300 -0.135 0.000 1.132 405 M CA 0.387 55.520 55.300 -0.278 0.000 1.105 405 M CB 0.778 33.200 32.600 -0.298 0.000 1.375 405 M HN -0.005 nan 8.290 nan 0.000 0.477 406 G N 2.428 111.159 108.800 -0.116 0.000 2.249 406 G HA2 -0.241 3.719 3.960 0.001 0.000 0.273 406 G HA3 -0.241 3.719 3.960 0.001 0.000 0.273 406 G C -0.090 174.834 174.900 0.040 0.000 1.036 406 G CA 0.039 45.099 45.100 -0.065 0.000 0.824 406 G HN 0.384 nan 8.290 nan 0.000 0.504 407 L N -0.256 121.007 121.223 0.066 0.000 2.399 407 L HA 0.392 4.733 4.340 0.001 0.000 0.265 407 L C 0.818 177.851 176.870 0.271 0.000 1.089 407 L CA -1.041 53.855 54.840 0.094 0.000 0.802 407 L CB 0.685 42.717 42.059 -0.045 0.000 1.180 407 L HN 0.132 nan 8.230 nan 0.000 0.454 408 D N 1.882 122.333 120.400 0.085 0.000 2.451 408 D HA -0.118 4.522 4.640 0.001 0.000 0.254 408 D C 1.033 177.170 176.300 -0.273 0.000 1.204 408 D CA -0.069 53.831 54.000 -0.166 0.000 0.896 408 D CB 0.681 41.281 40.800 -0.334 0.000 1.136 408 D HN 0.525 nan 8.370 nan 0.000 0.499 409 W N 5.304 126.435 121.300 -0.281 0.000 2.364 409 W HA -0.176 4.484 4.660 0.001 0.000 0.281 409 W C 1.078 177.317 176.519 -0.468 0.000 1.219 409 W CA 0.022 57.237 57.345 -0.217 0.000 1.220 409 W CB -0.693 28.779 29.460 0.019 0.000 1.127 409 W HN 0.390 nan 8.180 nan 0.000 0.556 410 R N 0.388 120.206 120.500 -1.136 0.000 2.189 410 R HA -0.055 4.286 4.340 0.001 0.000 0.223 410 R C 2.415 178.436 176.300 -0.465 0.000 1.092 410 R CA 1.717 57.262 56.100 -0.926 0.000 0.989 410 R CB -0.401 29.363 30.300 -0.892 0.000 0.876 410 R HN 0.268 nan 8.270 nan 0.000 0.457 411 M N -0.629 118.560 119.600 -0.685 0.000 2.132 411 M HA -0.046 4.435 4.480 0.001 0.000 0.263 411 M C 2.373 178.484 176.300 -0.316 0.000 1.065 411 M CA 1.798 56.557 55.300 -0.901 0.000 1.122 411 M CB -0.364 31.487 32.600 -1.248 0.000 1.365 411 M HN 0.318 nan 8.290 nan 0.000 0.411 412 G N -0.058 108.432 108.800 -0.517 0.000 2.402 412 G HA2 -0.068 3.893 3.960 0.001 0.000 0.216 412 G HA3 -0.068 3.893 3.960 0.001 0.000 0.216 412 G C 1.642 176.114 174.900 -0.713 0.000 1.162 412 G CA 0.861 45.656 45.100 -0.508 0.000 0.777 412 G HN 0.517 nan 8.290 nan 0.000 0.539 413 A N 0.818 122.776 122.820 -1.437 0.000 1.933 413 A HA -0.018 4.303 4.320 0.001 0.000 0.218 413 A C 2.145 179.553 177.584 -0.294 0.000 1.175 413 A CA 1.874 53.141 52.037 -1.284 0.000 0.628 413 A CB -0.343 18.032 19.000 -1.040 0.000 0.814 413 A HN 0.443 nan 8.150 nan 0.000 0.444 414 E N -1.514 118.710 120.200 0.041 0.000 2.152 414 E HA -0.154 4.196 4.350 0.001 0.000 0.192 414 E C 1.818 178.788 176.600 0.616 0.000 0.983 414 E CA 0.592 57.196 56.400 0.341 0.000 0.818 414 E CB -0.214 29.701 29.700 0.358 0.000 0.758 414 E HN 0.881 nan 8.360 nan 0.000 0.467 415 W N 0.240 121.856 121.300 0.526 0.000 2.388 415 W HA -0.199 4.461 4.660 0.001 0.000 0.294 415 W C 1.279 178.050 176.519 0.420 0.000 1.212 415 W CA 0.633 58.242 57.345 0.441 0.000 1.271 415 W CB -0.048 29.764 29.460 0.587 0.000 1.126 415 W HN 0.056 nan 8.180 nan 0.000 0.535 416 F N 1.362 121.409 119.950 0.162 0.000 2.186 416 F HA -0.165 4.362 4.527 0.001 0.000 0.299 416 F C 2.511 178.237 175.800 -0.123 0.000 1.090 416 F CA 1.906 59.926 58.000 0.034 0.000 1.307 416 F CB -1.229 37.969 39.000 0.331 0.000 1.019 416 F HN 0.006 nan 8.300 nan 0.000 0.489 417 E N -0.474 119.738 120.200 0.020 0.000 2.110 417 E HA -0.190 4.160 4.350 0.001 0.000 0.193 417 E C 1.928 178.277 176.600 -0.418 0.000 0.988 417 E CA 1.909 58.004 56.400 -0.509 0.000 0.804 417 E CB -0.086 29.306 29.700 -0.513 0.000 0.745 417 E HN 0.287 nan 8.360 nan 0.000 0.458 418 T N -0.242 114.187 114.554 -0.209 0.000 2.737 418 T HA -0.141 4.210 4.350 0.001 0.000 0.265 418 T C 1.972 176.466 174.700 -0.344 0.000 1.038 418 T CA 1.337 63.302 62.100 -0.226 0.000 1.144 418 T CB -0.335 68.410 68.868 -0.206 0.000 0.866 418 T HN 0.353 nan 8.240 nan 0.000 0.434 419 C N 0.730 119.705 119.300 -0.543 0.000 2.505 419 C HA 0.325 4.786 4.460 0.001 0.000 0.279 419 C C 1.313 176.106 174.990 -0.327 0.000 1.316 419 C CA -0.673 58.041 59.018 -0.507 0.000 1.720 419 C CB -1.056 26.226 27.740 -0.764 0.000 2.050 419 C HN 0.441 nan 8.230 nan 0.000 0.493 420 L N 2.200 123.248 121.223 -0.291 0.000 2.534 420 L HA 0.007 4.348 4.340 0.001 0.000 0.271 420 L C 1.239 178.025 176.870 -0.140 0.000 1.178 420 L CA -0.032 54.675 54.840 -0.222 0.000 0.907 420 L CB 0.359 42.331 42.059 -0.145 0.000 1.164 420 L HN 0.406 nan 8.230 nan 0.000 0.482 421 L N 2.365 123.454 121.223 -0.224 0.000 2.141 421 L HA -0.168 4.172 4.340 0.001 0.000 0.209 421 L C 1.428 178.162 176.870 -0.228 0.000 1.094 421 L CA 1.052 55.717 54.840 -0.292 0.000 0.763 421 L CB -0.355 41.291 42.059 -0.688 0.000 0.908 421 L HN 0.803 nan 8.230 nan 0.000 0.437 422 D N -2.102 118.157 120.400 -0.236 0.000 2.370 422 D HA -0.107 4.534 4.640 0.001 0.000 0.230 422 D C 0.504 176.733 176.300 -0.119 0.000 1.143 422 D CA -0.562 53.329 54.000 -0.182 0.000 0.834 422 D CB -0.591 40.114 40.800 -0.158 0.000 0.944 422 D HN 0.159 nan 8.370 nan 0.000 0.504 423 Y N 1.986 122.183 120.300 -0.171 0.000 2.810 423 Y HA 0.163 4.714 4.550 0.001 0.000 0.332 423 Y C -0.375 175.454 175.900 -0.118 0.000 1.243 423 Y CA 0.106 58.141 58.100 -0.109 0.000 1.537 423 Y CB 0.412 38.825 38.460 -0.079 0.000 1.265 423 Y HN 0.025 nan 8.280 nan 0.000 0.572 424 D N 9.006 128.884 120.400 -0.871 0.000 2.763 424 D HA 0.181 4.822 4.640 0.001 0.000 0.235 424 D C -2.232 173.645 176.300 -0.706 0.000 1.334 424 D CA -1.786 51.771 54.000 -0.738 0.000 0.950 424 D CB 2.383 42.985 40.800 -0.331 0.000 1.433 424 D HN 0.330 nan 8.370 nan 0.000 0.580 425 P HA -0.173 nan 4.420 nan 0.000 0.216 425 P C 1.566 178.977 177.300 0.184 0.000 1.154 425 P CA 1.031 64.176 63.100 0.076 0.000 0.865 425 P CB 0.173 31.985 31.700 0.187 0.000 0.789 426 C N -0.161 119.145 119.300 0.010 0.000 2.442 426 C HA -0.069 4.391 4.460 0.001 0.000 0.279 426 C C 3.151 178.095 174.990 -0.076 0.000 1.237 426 C CA 1.582 60.601 59.018 0.002 0.000 1.722 426 C CB -1.855 25.880 27.740 -0.007 0.000 2.056 426 C HN 0.297 nan 8.230 nan 0.000 0.469 427 S N 0.721 116.354 115.700 -0.112 0.000 2.387 427 S HA -0.132 4.338 4.470 0.001 0.000 0.226 427 S C 1.697 176.122 174.600 -0.292 0.000 1.026 427 S CA 1.480 59.538 58.200 -0.236 0.000 0.972 427 S CB -0.516 62.627 63.200 -0.094 0.000 0.814 427 S HN 0.683 nan 8.310 nan 0.000 0.477 428 N N 0.595 119.243 118.700 -0.086 0.000 2.062 428 N HA -0.079 4.662 4.740 0.001 0.000 0.191 428 N C 1.439 176.992 175.510 0.072 0.000 1.042 428 N CA 1.611 54.700 53.050 0.066 0.000 0.845 428 N CB -0.404 38.227 38.487 0.240 0.000 1.024 428 N HN 0.393 nan 8.380 nan 0.000 0.424 429 Y N 0.071 120.500 120.300 0.215 0.000 2.352 429 Y HA 0.101 4.652 4.550 0.001 0.000 0.292 429 Y C 2.390 178.262 175.900 -0.046 0.000 1.136 429 Y CA 1.123 59.366 58.100 0.239 0.000 1.227 429 Y CB -0.697 37.920 38.460 0.262 0.000 0.991 429 Y HN 0.175 nan 8.280 nan 0.000 0.545 430 G N 0.147 108.826 108.800 -0.201 0.000 2.433 430 G HA2 -0.266 3.695 3.960 0.001 0.000 0.216 430 G HA3 -0.266 3.695 3.960 0.001 0.000 0.216 430 G C 1.653 176.084 174.900 -0.781 0.000 1.186 430 G CA 1.037 45.788 45.100 -0.580 0.000 0.779 430 G HN 0.306 nan 8.290 nan 0.000 0.543 431 N N -0.130 117.973 118.700 -0.994 0.000 2.223 431 N HA -0.096 4.644 4.740 0.001 0.000 0.185 431 N C 1.956 177.272 175.510 -0.322 0.000 1.016 431 N CA 0.875 53.543 53.050 -0.636 0.000 0.863 431 N CB -0.209 37.933 38.487 -0.575 0.000 0.983 431 N HN 0.534 nan 8.380 nan 0.000 0.429 432 W N 1.486 122.609 121.300 -0.295 0.000 2.381 432 W HA -0.139 4.521 4.660 0.001 0.000 0.301 432 W C 2.725 178.967 176.519 -0.462 0.000 1.205 432 W CA 1.823 59.003 57.345 -0.274 0.000 1.285 432 W CB -0.671 28.714 29.460 -0.126 0.000 1.133 432 W HN 0.132 nan 8.180 nan 0.000 0.521 433 T N -3.003 111.368 114.554 -0.305 0.000 2.788 433 T HA -0.307 4.044 4.350 0.001 0.000 0.268 433 T C 1.563 176.207 174.700 -0.094 0.000 1.044 433 T CA 1.376 63.211 62.100 -0.442 0.000 1.139 433 T CB -1.002 67.735 68.868 -0.219 0.000 0.867 433 T HN 0.056 nan 8.240 nan 0.000 0.454 434 Y N 2.313 122.543 120.300 -0.117 0.000 2.114 434 Y HA 0.140 4.691 4.550 0.001 0.000 0.284 434 Y C 3.017 178.898 175.900 -0.031 0.000 1.143 434 Y CA 0.955 59.056 58.100 0.002 0.000 1.135 434 Y CB -1.124 37.396 38.460 0.101 0.000 0.980 434 Y HN 0.359 nan 8.280 nan 0.000 0.499 435 G N -1.042 107.787 108.800 0.048 0.000 2.422 435 G HA2 -0.183 3.777 3.960 0.001 0.000 0.218 435 G HA3 -0.183 3.777 3.960 0.001 0.000 0.218 435 G C 1.775 176.695 174.900 0.034 0.000 1.146 435 G CA 0.849 45.936 45.100 -0.020 0.000 0.769 435 G HN 0.465 nan 8.290 nan 0.000 0.547 436 A N -0.274 122.554 122.820 0.012 0.000 2.167 436 A HA 0.434 4.754 4.320 0.001 0.000 0.214 436 A C 2.062 179.712 177.584 0.110 0.000 1.151 436 A CA 1.394 53.495 52.037 0.108 0.000 0.735 436 A CB -0.487 18.472 19.000 -0.069 0.000 0.802 436 A HN 1.624 nan 8.150 nan 0.000 0.467 437 G N -1.401 107.416 108.800 0.028 0.000 2.147 437 G HA2 -0.202 3.758 3.960 0.001 0.000 0.244 437 G HA3 -0.202 3.758 3.960 0.001 0.000 0.244 437 G C 0.695 175.605 174.900 0.018 0.000 1.005 437 G CA 0.820 45.933 45.100 0.023 0.000 0.713 437 G HN 1.632 nan 8.290 nan 0.000 0.515 438 V N -2.333 117.563 119.914 -0.030 0.000 3.276 438 V HA 0.711 4.831 4.120 0.001 0.000 0.319 438 V C 1.251 177.323 176.094 -0.037 0.000 1.427 438 V CA 0.647 62.943 62.300 -0.006 0.000 1.102 438 V CB 0.093 31.920 31.823 0.007 0.000 1.020 438 V HN 1.015 nan 8.190 nan 0.000 0.456 439 G N 0.602 109.355 108.800 -0.079 0.000 2.543 439 G HA2 0.279 4.239 3.960 0.001 0.000 0.290 439 G HA3 0.279 4.239 3.960 0.001 0.000 0.290 439 G C -0.002 174.854 174.900 -0.072 0.000 1.310 439 G CA -0.513 44.559 45.100 -0.047 0.000 1.025 439 G HN 0.384 nan 8.290 nan 0.000 0.502 440 N N -0.463 118.224 118.700 -0.021 0.000 2.322 440 N HA 0.111 4.852 4.740 0.001 0.000 0.216 440 N C -0.815 174.675 175.510 -0.034 0.000 1.144 440 N CA -0.041 53.001 53.050 -0.013 0.000 0.830 440 N CB 0.414 38.916 38.487 0.024 0.000 1.034 440 N HN 0.302 nan 8.380 nan 0.000 0.484 441 D N 0.069 120.383 120.400 -0.144 0.000 2.408 441 D HA 0.170 4.810 4.640 0.001 0.000 0.261 441 D C -1.963 174.261 176.300 -0.127 0.000 1.190 441 D CA -2.352 51.584 54.000 -0.106 0.000 0.910 441 D CB 1.284 42.047 40.800 -0.062 0.000 1.097 441 D HN -0.011 nan 8.370 nan 0.000 0.522 442 P HA -0.052 nan 4.420 nan 0.000 0.228 442 P C 1.196 178.493 177.300 -0.006 0.000 1.151 442 P CA 0.357 63.436 63.100 -0.034 0.000 0.770 442 P CB 0.460 32.152 31.700 -0.013 0.000 0.786 443 R N 0.675 121.184 120.500 0.015 0.000 2.193 443 R HA -0.079 4.261 4.340 0.001 0.000 0.229 443 R C 0.997 177.334 176.300 0.061 0.000 1.110 443 R CA 0.891 57.020 56.100 0.048 0.000 0.988 443 R CB -0.202 30.146 30.300 0.079 0.000 0.871 443 R HN 0.424 nan 8.270 nan 0.000 0.458 444 E N -0.025 120.201 120.200 0.043 0.000 2.183 444 E HA 0.160 4.510 4.350 0.001 0.000 0.250 444 E C -0.965 175.652 176.600 0.028 0.000 0.901 444 E CA -0.377 56.067 56.400 0.073 0.000 0.741 444 E CB 1.699 31.499 29.700 0.168 0.000 1.182 444 E HN -0.055 nan 8.360 nan 0.000 0.425 445 D N 1.847 122.273 120.400 0.044 0.000 3.013 445 D HA 0.228 4.868 4.640 0.001 0.000 0.256 445 D C -0.215 176.147 176.300 0.103 0.000 1.573 445 D CA 0.254 54.283 54.000 0.048 0.000 1.197 445 D CB 0.348 41.166 40.800 0.030 0.000 1.041 445 D HN 0.289 nan 8.370 nan 0.000 0.304 446 R N -0.416 120.139 120.500 0.092 0.000 1.124 446 R HA -0.194 4.147 4.340 0.001 0.000 0.425 446 R C -1.655 174.763 176.300 0.197 0.000 1.336 446 R CA -0.011 56.141 56.100 0.088 0.000 0.984 446 R CB -1.283 29.036 30.300 0.032 0.000 3.079 446 R HN 0.353 nan 8.270 nan 0.000 0.509 447 Y N 5.365 125.682 120.300 0.028 0.000 2.331 447 Y HA 0.520 5.071 4.550 0.001 0.000 0.338 447 Y C -0.786 175.144 175.900 0.050 0.000 0.992 447 Y CA -0.949 57.231 58.100 0.134 0.000 1.121 447 Y CB 0.833 39.392 38.460 0.165 0.000 1.184 447 Y HN 0.343 nan 8.280 nan 0.000 0.469 448 F N 4.035 123.650 119.950 -0.559 0.000 2.391 448 F HA 0.270 4.798 4.527 0.001 0.000 0.359 448 F C 0.568 176.042 175.800 -0.543 0.000 1.122 448 F CA -0.496 57.281 58.000 -0.372 0.000 1.120 448 F CB 1.437 40.305 39.000 -0.220 0.000 1.142 448 F HN 0.438 nan 8.300 nan 0.000 0.483 449 S N 4.150 119.796 115.700 -0.091 0.000 2.430 449 S HA 0.185 4.656 4.470 0.001 0.000 0.282 449 S C 1.451 176.085 174.600 0.057 0.000 1.186 449 S CA -0.589 57.644 58.200 0.055 0.000 1.060 449 S CB -0.097 63.194 63.200 0.152 0.000 0.966 449 S HN 0.498 nan 8.310 nan 0.000 0.501 450 I N 7.744 128.342 120.570 0.047 0.000 2.194 450 I HA -0.032 4.138 4.170 0.001 0.000 0.246 450 I C -0.906 175.236 176.117 0.042 0.000 1.093 450 I CA 1.068 62.388 61.300 0.034 0.000 1.355 450 I CB -1.355 36.641 38.000 -0.007 0.000 1.046 450 I HN 0.542 nan 8.210 nan 0.000 0.413 451 P HA -0.163 nan 4.420 nan 0.000 0.214 451 P C 1.636 178.934 177.300 -0.003 0.000 1.162 451 P CA 1.599 64.733 63.100 0.056 0.000 0.879 451 P CB -0.053 31.702 31.700 0.091 0.000 0.786 452 K N -0.480 119.928 120.400 0.014 0.000 2.026 452 K HA -0.168 4.153 4.320 0.001 0.000 0.208 452 K C 2.223 178.796 176.600 -0.044 0.000 1.048 452 K CA 1.207 57.482 56.287 -0.021 0.000 0.929 452 K CB -0.550 31.947 32.500 -0.004 0.000 0.713 452 K HN 0.167 nan 8.250 nan 0.000 0.439 453 Q N 0.332 120.149 119.800 0.030 0.000 2.096 453 Q HA -0.130 4.210 4.340 0.001 0.000 0.204 453 Q C 2.231 178.243 176.000 0.021 0.000 0.982 453 Q CA 1.629 57.510 55.803 0.129 0.000 0.850 453 Q CB -0.426 28.434 28.738 0.203 0.000 0.901 453 Q HN 0.341 nan 8.270 nan 0.000 0.422 454 A N 1.008 123.755 122.820 -0.122 0.000 1.877 454 A HA -0.218 4.103 4.320 0.001 0.000 0.216 454 A C 2.143 179.547 177.584 -0.300 0.000 1.186 454 A CA 1.391 53.184 52.037 -0.407 0.000 0.620 454 A CB -0.426 18.116 19.000 -0.763 0.000 0.822 454 A HN 0.245 nan 8.150 nan 0.000 0.443 455 Q N -0.168 119.516 119.800 -0.192 0.000 2.050 455 Q HA -0.150 4.191 4.340 0.001 0.000 0.202 455 Q C 1.774 177.667 176.000 -0.177 0.000 0.980 455 Q CA 1.639 57.366 55.803 -0.128 0.000 0.840 455 Q CB -0.405 28.275 28.738 -0.096 0.000 0.898 455 Q HN 0.682 nan 8.270 nan 0.000 0.424 456 N N -0.533 117.987 118.700 -0.299 0.000 2.270 456 N HA -0.109 4.631 4.740 0.001 0.000 0.181 456 N C 1.037 176.111 175.510 -0.725 0.000 1.016 456 N CA 1.057 53.764 53.050 -0.573 0.000 0.870 456 N CB -0.104 37.864 38.487 -0.865 0.000 0.979 456 N HN 0.322 nan 8.380 nan 0.000 0.431 457 Y N -0.935 119.328 120.300 -0.063 0.000 2.481 457 Y HA 0.289 4.839 4.550 0.001 0.000 0.247 457 Y C 0.065 175.939 175.900 -0.043 0.000 1.151 457 Y CA -0.498 57.557 58.100 -0.075 0.000 1.238 457 Y CB 0.701 39.096 38.460 -0.109 0.000 1.179 457 Y HN -0.145 nan 8.280 nan 0.000 0.524 458 D N -0.419 120.036 120.400 0.092 0.000 3.453 458 D HA 0.142 4.782 4.640 0.001 0.000 0.312 458 D C -2.092 174.345 176.300 0.228 0.000 1.349 458 D CA -1.440 52.684 54.000 0.206 0.000 0.739 458 D CB 0.583 41.611 40.800 0.379 0.000 1.312 458 D HN -0.104 nan 8.370 nan 0.000 0.628 459 P HA -0.170 nan 4.420 nan 0.000 0.217 459 P C 0.694 178.068 177.300 0.125 0.000 1.148 459 P CA 1.187 64.337 63.100 0.082 0.000 0.828 459 P CB 0.483 32.192 31.700 0.016 0.000 0.783 460 E N -1.370 118.901 120.200 0.117 0.000 2.479 460 E HA 0.152 4.503 4.350 0.001 0.000 0.193 460 E C 1.565 178.215 176.600 0.083 0.000 1.049 460 E CA 0.558 57.011 56.400 0.088 0.000 0.870 460 E CB -0.685 29.052 29.700 0.063 0.000 0.944 460 E HN 0.319 nan 8.360 nan 0.000 0.492 461 G N 2.243 111.127 108.800 0.139 0.000 2.179 461 G HA2 -0.402 3.558 3.960 0.001 0.000 0.257 461 G HA3 -0.402 3.558 3.960 0.001 0.000 0.257 461 G C 0.863 175.776 174.900 0.022 0.000 1.010 461 G CA 0.934 46.015 45.100 -0.032 0.000 0.736 461 G HN 0.419 nan 8.290 nan 0.000 0.513 462 E N -1.362 118.903 120.200 0.108 0.000 2.150 462 E HA -0.094 4.257 4.350 0.001 0.000 0.193 462 E C 1.876 178.580 176.600 0.173 0.000 0.985 462 E CA 1.190 57.657 56.400 0.111 0.000 0.814 462 E CB -0.115 29.646 29.700 0.103 0.000 0.752 462 E HN 0.728 nan 8.360 nan 0.000 0.466 463 Y N 0.809 121.187 120.300 0.131 0.000 2.109 463 Y HA -0.214 4.337 4.550 0.001 0.000 0.285 463 Y C 2.145 178.223 175.900 0.297 0.000 1.131 463 Y CA 1.840 60.067 58.100 0.211 0.000 1.121 463 Y CB -0.719 37.862 38.460 0.202 0.000 0.987 463 Y HN 0.030 nan 8.280 nan 0.000 0.495 464 V N -0.343 119.598 119.914 0.045 0.000 2.392 464 V HA -0.203 3.917 4.120 0.001 0.000 0.249 464 V C 2.369 178.424 176.094 -0.066 0.000 1.059 464 V CA 1.913 64.171 62.300 -0.070 0.000 1.051 464 V CB -2.035 29.739 31.823 -0.083 0.000 0.658 464 V HN 0.455 nan 8.190 nan 0.000 0.455 465 A N -0.034 122.757 122.820 -0.049 0.000 1.972 465 A HA -0.110 4.210 4.320 0.001 0.000 0.219 465 A C 2.092 179.643 177.584 -0.054 0.000 1.169 465 A CA 1.839 53.848 52.037 -0.048 0.000 0.635 465 A CB -0.862 18.122 19.000 -0.027 0.000 0.810 465 A HN 0.711 nan 8.150 nan 0.000 0.446 466 F N -1.448 118.383 119.950 -0.198 0.000 2.234 466 F HA -0.110 4.418 4.527 0.001 0.000 0.299 466 F C 1.763 177.263 175.800 -0.499 0.000 1.087 466 F CA 1.514 59.308 58.000 -0.344 0.000 1.340 466 F CB -0.140 38.615 39.000 -0.408 0.000 1.031 466 F HN 0.381 nan 8.300 nan 0.000 0.500 467 W N 0.077 121.276 121.300 -0.168 0.000 2.630 467 W HA 0.258 4.918 4.660 0.001 0.000 0.271 467 W C 0.124 176.539 176.519 -0.172 0.000 1.244 467 W CA 0.084 57.301 57.345 -0.213 0.000 1.353 467 W CB 0.160 29.505 29.460 -0.192 0.000 1.080 467 W HN -0.297 nan 8.180 nan 0.000 0.594 468 L N 2.796 124.046 121.223 0.046 0.000 2.506 468 L HA 0.181 4.522 4.340 0.001 0.000 0.247 468 L C 1.338 178.195 176.870 -0.021 0.000 1.141 468 L CA -0.449 54.416 54.840 0.042 0.000 0.973 468 L CB 0.528 42.622 42.059 0.058 0.000 1.319 468 L HN 0.037 nan 8.230 nan 0.000 0.455 469 Q N 1.406 121.167 119.800 -0.064 0.000 2.290 469 Q HA -0.268 4.072 4.340 0.001 0.000 0.211 469 Q C 1.546 177.521 176.000 -0.040 0.000 0.991 469 Q CA 1.565 57.319 55.803 -0.082 0.000 0.893 469 Q CB -0.423 28.252 28.738 -0.105 0.000 0.913 469 Q HN 0.801 nan 8.270 nan 0.000 0.428 470 Q N 0.646 120.445 119.800 -0.001 0.000 2.541 470 Q HA -0.033 4.307 4.340 0.001 0.000 0.215 470 Q C 1.568 177.574 176.000 0.009 0.000 0.977 470 Q CA 0.780 56.593 55.803 0.017 0.000 0.934 470 Q CB -0.138 28.635 28.738 0.058 0.000 0.988 470 Q HN 0.502 nan 8.270 nan 0.000 0.521 471 L N -0.641 120.570 121.223 -0.020 0.000 2.590 471 L HA 0.246 4.587 4.340 0.001 0.000 0.227 471 L C 2.456 179.296 176.870 -0.050 0.000 1.099 471 L CA -0.185 54.622 54.840 -0.054 0.000 0.872 471 L CB -0.127 41.862 42.059 -0.117 0.000 1.088 471 L HN 0.061 nan 8.230 nan 0.000 0.479 472 R N 1.530 122.002 120.500 -0.045 0.000 2.096 472 R HA -0.196 4.144 4.340 0.001 0.000 0.240 472 R C 2.481 178.764 176.300 -0.027 0.000 1.139 472 R CA 2.101 58.177 56.100 -0.040 0.000 0.952 472 R CB -0.070 30.200 30.300 -0.050 0.000 0.854 472 R HN 0.409 nan 8.270 nan 0.000 0.436 473 R N 0.163 120.649 120.500 -0.024 0.000 2.148 473 R HA 0.006 4.347 4.340 0.001 0.000 0.223 473 R C 0.577 176.871 176.300 -0.009 0.000 1.088 473 R CA 0.493 56.584 56.100 -0.015 0.000 0.985 473 R CB -0.522 29.770 30.300 -0.013 0.000 0.880 473 R HN 0.142 nan 8.270 nan 0.000 0.451 474 L N 2.706 123.921 121.223 -0.012 0.000 2.464 474 L HA 0.295 4.635 4.340 0.001 0.000 0.264 474 L C -1.945 174.925 176.870 -0.001 0.000 1.199 474 L CA -2.346 52.491 54.840 -0.004 0.000 0.818 474 L CB -0.019 42.034 42.059 -0.010 0.000 1.102 474 L HN -0.060 nan 8.230 nan 0.000 0.473 475 P HA 0.113 nan 4.420 nan 0.000 0.278 475 P C -0.002 177.313 177.300 0.024 0.000 1.258 475 P CA -0.793 62.319 63.100 0.019 0.000 0.811 475 P CB 1.039 32.755 31.700 0.027 0.000 1.063 476 K N 1.797 122.213 120.400 0.027 0.000 2.071 476 K HA -0.268 4.052 4.320 0.001 0.000 0.217 476 K C 1.095 177.737 176.600 0.071 0.000 1.054 476 K CA 2.425 58.737 56.287 0.041 0.000 0.937 476 K CB -0.565 31.964 32.500 0.048 0.000 0.719 476 K HN 0.243 nan 8.250 nan 0.000 0.454 477 E N 0.551 120.795 120.200 0.073 0.000 2.265 477 E HA -0.142 4.209 4.350 0.001 0.000 0.196 477 E C 1.815 178.506 176.600 0.151 0.000 0.996 477 E CA 1.372 57.829 56.400 0.095 0.000 0.832 477 E CB -0.029 29.711 29.700 0.066 0.000 0.756 477 E HN 0.401 nan 8.360 nan 0.000 0.491 478 K N 0.296 120.771 120.400 0.125 0.000 2.308 478 K HA 0.128 4.448 4.320 0.001 0.000 0.197 478 K C 1.664 178.308 176.600 0.073 0.000 1.049 478 K CA 0.165 56.541 56.287 0.149 0.000 0.991 478 K CB 0.347 32.908 32.500 0.103 0.000 0.836 478 K HN -0.058 nan 8.250 nan 0.000 0.500 479 R N -0.373 120.123 120.500 -0.007 0.000 2.127 479 R HA -0.122 4.218 4.340 0.001 0.000 0.238 479 R C 1.176 177.348 176.300 -0.213 0.000 1.134 479 R CA 1.178 57.191 56.100 -0.146 0.000 0.975 479 R CB -0.492 29.676 30.300 -0.220 0.000 0.865 479 R HN 0.344 nan 8.270 nan 0.000 0.447 480 H N -2.164 116.953 119.070 0.079 0.000 2.592 480 H HA 0.033 4.589 4.556 0.001 0.000 0.265 480 H C -0.205 175.230 175.328 0.179 0.000 0.955 480 H CA 0.173 56.278 56.048 0.096 0.000 1.175 480 H CB 0.320 30.154 29.762 0.121 0.000 1.433 480 H HN 0.226 nan 8.280 nan 0.000 0.537 481 W N 3.724 125.071 121.300 0.077 0.000 2.036 481 W HA 0.298 4.959 4.660 0.001 0.000 0.294 481 W C -2.385 174.146 176.519 0.020 0.000 0.948 481 W CA -1.967 55.414 57.345 0.061 0.000 1.774 481 W CB 1.090 30.599 29.460 0.082 0.000 1.950 481 W HN -0.164 nan 8.180 nan 0.000 0.384 482 P HA 0.208 nan 4.420 nan 0.000 0.240 482 P C 0.706 177.816 177.300 -0.317 0.000 1.190 482 P CA 1.231 64.221 63.100 -0.183 0.000 0.781 482 P CB 0.704 32.319 31.700 -0.142 0.000 0.931 483 G N 1.535 110.010 108.800 -0.541 0.000 2.705 483 G HA2 -0.249 3.711 3.960 0.001 0.000 0.686 483 G HA3 -0.249 3.711 3.960 0.001 0.000 0.686 483 G C 0.550 175.318 174.900 -0.221 0.000 1.285 483 G CA -0.072 44.733 45.100 -0.493 0.000 0.800 483 G HN 0.413 nan 8.290 nan 0.000 0.611 484 R N 0.884 121.269 120.500 -0.193 0.000 2.105 484 R HA -0.057 4.284 4.340 0.001 0.000 0.239 484 R C 2.372 178.615 176.300 -0.095 0.000 1.135 484 R CA 2.035 58.062 56.100 -0.123 0.000 0.967 484 R CB -0.223 30.014 30.300 -0.105 0.000 0.861 484 R HN 0.591 nan 8.270 nan 0.000 0.442 485 L N 0.763 121.933 121.223 -0.088 0.000 1.937 485 L HA -0.113 4.227 4.340 0.001 0.000 0.213 485 L C 2.166 179.008 176.870 -0.047 0.000 1.077 485 L CA 2.085 56.887 54.840 -0.062 0.000 0.758 485 L CB -0.901 41.128 42.059 -0.051 0.000 0.888 485 L HN 0.359 nan 8.230 nan 0.000 0.433 486 M N -2.173 117.407 119.600 -0.032 0.000 2.279 486 M HA -0.206 4.275 4.480 0.001 0.000 0.264 486 M C 1.465 177.808 176.300 0.073 0.000 1.062 486 M CA 1.438 56.741 55.300 0.006 0.000 1.099 486 M CB -0.334 32.269 32.600 0.006 0.000 1.394 486 M HN 0.325 nan 8.290 nan 0.000 0.426 487 Y N -0.419 119.811 120.300 -0.116 0.000 2.781 487 Y HA 0.513 5.064 4.550 0.001 0.000 0.182 487 Y C 0.423 176.260 175.900 -0.105 0.000 0.949 487 Y CA 0.027 58.060 58.100 -0.111 0.000 1.525 487 Y CB 0.406 38.784 38.460 -0.136 0.000 1.138 487 Y HN 0.097 nan 8.280 nan 0.000 0.454 488 M N -1.470 117.965 119.600 -0.275 0.000 3.196 488 M HA 0.303 4.784 4.480 0.001 0.000 0.279 488 M C -1.971 174.226 176.300 -0.171 0.000 1.173 488 M CA -0.893 54.231 55.300 -0.292 0.000 0.820 488 M CB 1.659 33.979 32.600 -0.466 0.000 1.621 488 M HN 0.071 nan 8.290 nan 0.000 0.521 489 D N 2.698 123.015 120.400 -0.139 0.000 2.362 489 D HA 0.292 4.933 4.640 0.001 0.000 0.242 489 D C -0.255 175.982 176.300 -0.105 0.000 1.132 489 D CA 0.687 54.627 54.000 -0.100 0.000 0.907 489 D CB 1.658 42.421 40.800 -0.062 0.000 1.195 489 D HN 0.666 nan 8.370 nan 0.000 0.429 490 T N -1.713 112.775 114.554 -0.110 0.000 2.780 490 T HA 0.201 4.551 4.350 0.001 0.000 0.294 490 T C 1.587 176.325 174.700 0.063 0.000 0.949 490 T CA -0.978 61.043 62.100 -0.131 0.000 1.074 490 T CB 1.283 70.006 68.868 -0.242 0.000 0.910 490 T HN 0.210 nan 8.240 nan 0.000 0.501 491 V N 1.570 121.578 119.914 0.156 0.000 2.759 491 V HA 0.144 4.265 4.120 0.001 0.000 0.256 491 V C 0.845 177.053 176.094 0.190 0.000 1.080 491 V CA 1.143 63.544 62.300 0.167 0.000 1.101 491 V CB -1.538 30.403 31.823 0.197 0.000 0.698 491 V HN 1.014 nan 8.190 nan 0.000 0.477 492 V N -4.728 115.363 119.914 0.295 0.000 3.178 492 V HA 0.756 4.877 4.120 0.001 0.000 0.302 492 V C -3.077 173.214 176.094 0.329 0.000 1.262 492 V CA -1.732 60.706 62.300 0.230 0.000 1.030 492 V CB 1.839 33.740 31.823 0.131 0.000 1.074 492 V HN 0.146 nan 8.190 nan 0.000 0.438 493 P HA 0.501 nan 4.420 nan 0.000 0.278 493 P C -0.804 176.618 177.300 0.203 0.000 1.258 493 P CA -0.603 62.648 63.100 0.252 0.000 0.811 493 P CB 1.346 33.137 31.700 0.151 0.000 1.063 494 L N 1.962 123.316 121.223 0.218 0.000 2.326 494 L HA 0.215 4.556 4.340 0.001 0.000 0.278 494 L C 1.976 178.883 176.870 0.061 0.000 1.092 494 L CA -0.625 54.306 54.840 0.151 0.000 0.810 494 L CB 0.424 42.604 42.059 0.201 0.000 1.153 494 L HN 0.368 nan 8.230 nan 0.000 0.439 495 K N 1.049 121.420 120.400 -0.049 0.000 2.063 495 K HA -0.107 4.214 4.320 0.001 0.000 0.208 495 K C 0.263 176.561 176.600 -0.503 0.000 1.048 495 K CA 1.401 57.467 56.287 -0.368 0.000 0.928 495 K CB -0.013 32.084 32.500 -0.671 0.000 0.713 495 K HN 0.484 nan 8.250 nan 0.000 0.442 496 H N -0.463 118.560 119.070 -0.078 0.000 2.762 496 H HA 0.267 4.824 4.556 0.001 0.000 0.310 496 H C 1.006 176.390 175.328 0.093 0.000 1.004 496 H CA 0.170 56.186 56.048 -0.053 0.000 1.267 496 H CB 0.829 30.477 29.762 -0.190 0.000 1.437 496 H HN 0.383 nan 8.280 nan 0.000 0.498 497 G N 4.033 112.947 108.800 0.191 0.000 2.591 497 G HA2 -0.356 3.605 3.960 0.001 0.000 0.298 497 G HA3 -0.356 3.605 3.960 0.001 0.000 0.298 497 G C 0.075 175.078 174.900 0.172 0.000 1.195 497 G CA 0.737 45.928 45.100 0.153 0.000 0.989 497 G HN 0.907 nan 8.290 nan 0.000 0.551 498 N N -2.902 115.896 118.700 0.163 0.000 4.616 498 N HA 0.437 5.177 4.740 0.001 0.000 0.221 498 N C -0.688 174.889 175.510 0.111 0.000 1.188 498 N CA 0.445 53.609 53.050 0.191 0.000 0.689 498 N CB -0.597 38.029 38.487 0.232 0.000 1.625 498 N HN 1.757 nan 8.380 nan 0.000 0.414 499 G N 1.827 110.678 108.800 0.086 0.000 3.191 499 G HA2 0.562 4.522 3.960 0.001 0.000 0.309 499 G HA3 0.562 4.522 3.960 0.001 0.000 0.309 499 G C -2.835 171.906 174.900 -0.266 0.000 1.596 499 G CA -0.301 44.773 45.100 -0.044 0.000 0.955 499 G HN 0.403 nan 8.290 nan 0.000 0.508 500 P HA 0.000 nan 4.420 nan 0.000 0.216 500 P CA 0.000 62.584 63.100 -0.859 0.000 0.800 500 P CB 0.000 31.371 31.700 -0.548 0.000 0.726