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 2eba_1_D DATA FIRST_RESID 1 DATA SEQUENCE MLDFYALEDL LTPEEKEVQK AARRFLEKEA LPHIRDWWEE GVFPTHLIPR DATA SEQUENCE FAELGFLGPT LPPEYGGAGV SSAAYGLICY ELERVDSGLR SFVSVQSSLV DATA SEQUENCE MYPIYAYGSE EQKREFLPKL ARGEMVGCFG LTEPDGGSDP YGNMKTRARR DATA SEQUENCE XXDTWVLNGT KMWITNGNLA HLAVIWAKDX XXEVLGFLVP TDTPGFQARE DATA SEQUENCE VKRKMSLRAS VTSELVLEEV RVPESLRLPK ALGLKAPLSC LTQARFGIAW DATA SEQUENCE GAMGALEAVY EEAVAFAKSR STFGEPLAKK QLVQAKLAEM LAWHTEGLLL DATA SEQUENCE AWRLARLKDE GKLTPAQVSL AKRQNVWKAL QAARMARDIL GGSGITLEYH DATA SEQUENCE AIRHMLNLET VYTYEGTHDV HTLVLGREIT GLNAF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.381 176.300 0.135 0.000 1.140 1 M CA 0.000 55.391 55.300 0.151 0.000 0.988 1 M CB 0.000 32.665 32.600 0.109 0.000 1.302 2 L N 2.470 123.783 121.223 0.149 0.000 2.462 2 L HA 0.482 4.824 4.340 0.002 0.000 0.272 2 L C -0.921 176.042 176.870 0.156 0.000 1.166 2 L CA 1.554 56.426 54.840 0.054 0.000 0.880 2 L CB 0.180 42.100 42.059 -0.231 0.000 1.142 2 L HN 0.751 nan 8.230 nan 0.000 0.473 3 D N 3.673 124.167 120.400 0.156 0.000 2.584 3 D HA 0.027 4.669 4.640 0.002 0.000 0.238 3 D C 0.224 176.659 176.300 0.225 0.000 1.302 3 D CA -0.351 53.762 54.000 0.187 0.000 0.884 3 D CB -0.058 40.810 40.800 0.113 0.000 1.456 3 D HN 0.413 nan 8.370 nan 0.000 0.528 4 F N 1.903 121.901 119.950 0.081 0.000 2.186 4 F HA -0.001 4.528 4.527 0.002 0.000 0.299 4 F C 0.577 176.530 175.800 0.255 0.000 1.090 4 F CA 1.236 59.303 58.000 0.111 0.000 1.307 4 F CB 0.137 39.166 39.000 0.048 0.000 1.019 4 F HN 0.288 nan 8.300 nan 0.000 0.489 5 Y N 0.801 121.029 120.300 -0.120 0.000 2.746 5 Y HA 0.543 5.094 4.550 0.002 0.000 0.312 5 Y C 1.112 176.903 175.900 -0.181 0.000 1.117 5 Y CA -1.109 56.848 58.100 -0.238 0.000 1.324 5 Y CB -0.988 37.373 38.460 -0.164 0.000 1.173 5 Y HN 0.132 nan 8.280 nan 0.000 0.529 6 A N 0.315 123.135 122.820 -0.001 0.000 2.311 6 A HA -0.227 4.094 4.320 0.002 0.000 0.284 6 A C 1.142 178.675 177.584 -0.085 0.000 1.409 6 A CA 0.507 52.521 52.037 -0.039 0.000 0.764 6 A CB -1.500 17.456 19.000 -0.074 0.000 1.095 6 A HN 0.387 nan 8.150 nan 0.000 0.369 7 L N -0.454 120.717 121.223 -0.087 0.000 2.551 7 L HA -0.060 4.282 4.340 0.002 0.000 0.228 7 L C 2.144 178.932 176.870 -0.137 0.000 1.153 7 L CA 1.906 56.621 54.840 -0.209 0.000 0.851 7 L CB -1.120 40.802 42.059 -0.229 0.000 0.959 7 L HN 0.756 nan 8.230 nan 0.000 0.451 8 E N -0.153 120.016 120.200 -0.051 0.000 2.152 8 E HA -0.190 4.162 4.350 0.002 0.000 0.192 8 E C 1.210 177.799 176.600 -0.018 0.000 0.983 8 E CA 0.691 57.086 56.400 -0.008 0.000 0.818 8 E CB 0.178 29.885 29.700 0.011 0.000 0.758 8 E HN 0.371 nan 8.360 nan 0.000 0.467 9 D N 0.257 120.629 120.400 -0.048 0.000 2.357 9 D HA -0.146 4.495 4.640 0.002 0.000 0.216 9 D C 1.104 177.379 176.300 -0.041 0.000 0.973 9 D CA 0.909 54.882 54.000 -0.045 0.000 0.912 9 D CB 0.080 40.839 40.800 -0.068 0.000 0.900 9 D HN 0.228 nan 8.370 nan 0.000 0.501 10 L N -0.481 120.703 121.223 -0.066 0.000 2.728 10 L HA 0.226 4.568 4.340 0.002 0.000 0.238 10 L C 0.437 177.392 176.870 0.142 0.000 1.143 10 L CA -0.119 54.716 54.840 -0.009 0.000 0.937 10 L CB 0.296 42.218 42.059 -0.227 0.000 1.225 10 L HN -0.158 nan 8.230 nan 0.000 0.507 11 L N -0.467 120.819 121.223 0.106 0.000 2.352 11 L HA 0.448 4.790 4.340 0.002 0.000 0.269 11 L C 0.816 177.743 176.870 0.096 0.000 1.034 11 L CA -0.597 54.327 54.840 0.140 0.000 0.806 11 L CB 1.648 43.778 42.059 0.118 0.000 1.244 11 L HN 0.066 nan 8.230 nan 0.000 0.447 12 T N -2.513 112.097 114.554 0.093 0.000 2.849 12 T HA 0.271 4.623 4.350 0.002 0.000 0.284 12 T C -1.934 172.798 174.700 0.054 0.000 1.004 12 T CA -1.686 60.455 62.100 0.067 0.000 1.021 12 T CB 1.245 70.150 68.868 0.061 0.000 1.013 12 T HN 0.331 nan 8.240 nan 0.000 0.527 13 P HA -0.055 nan 4.420 nan 0.000 0.218 13 P C 1.404 178.728 177.300 0.040 0.000 1.148 13 P CA 1.051 64.175 63.100 0.039 0.000 0.822 13 P CB 0.119 31.839 31.700 0.034 0.000 0.784 14 E N -0.158 120.066 120.200 0.040 0.000 2.072 14 E HA -0.180 4.172 4.350 0.002 0.000 0.191 14 E C 1.946 178.570 176.600 0.040 0.000 0.985 14 E CA 1.008 57.431 56.400 0.039 0.000 0.801 14 E CB -0.081 29.640 29.700 0.035 0.000 0.750 14 E HN 0.371 nan 8.360 nan 0.000 0.452 15 E N 0.533 120.757 120.200 0.040 0.000 2.072 15 E HA -0.149 4.203 4.350 0.002 0.000 0.191 15 E C 1.890 178.509 176.600 0.030 0.000 0.985 15 E CA 0.964 57.382 56.400 0.030 0.000 0.801 15 E CB 0.100 29.825 29.700 0.041 0.000 0.750 15 E HN 0.092 nan 8.360 nan 0.000 0.452 16 K N 0.561 120.986 120.400 0.041 0.000 2.362 16 K HA -0.096 4.225 4.320 0.002 0.000 0.200 16 K C 1.948 178.578 176.600 0.051 0.000 1.046 16 K CA 0.582 56.894 56.287 0.042 0.000 0.952 16 K CB 0.137 32.663 32.500 0.043 0.000 0.753 16 K HN 0.019 nan 8.250 nan 0.000 0.466 17 E N 1.038 121.269 120.200 0.053 0.000 2.122 17 E HA -0.102 4.249 4.350 0.002 0.000 0.190 17 E C 2.080 178.728 176.600 0.081 0.000 0.977 17 E CA 0.956 57.394 56.400 0.063 0.000 0.820 17 E CB 0.116 29.850 29.700 0.056 0.000 0.770 17 E HN 0.176 nan 8.360 nan 0.000 0.462 18 V N 0.189 120.151 119.914 0.079 0.000 2.490 18 V HA -0.207 3.914 4.120 0.002 0.000 0.250 18 V C 2.384 178.550 176.094 0.120 0.000 1.061 18 V CA 2.024 64.390 62.300 0.111 0.000 1.064 18 V CB -0.535 31.341 31.823 0.087 0.000 0.670 18 V HN 0.143 nan 8.190 nan 0.000 0.461 19 Q N 0.456 120.303 119.800 0.078 0.000 1.994 19 Q HA -0.181 4.161 4.340 0.002 0.000 0.198 19 Q C 2.393 178.465 176.000 0.120 0.000 0.976 19 Q CA 1.851 57.702 55.803 0.080 0.000 0.828 19 Q CB -0.150 28.614 28.738 0.043 0.000 0.894 19 Q HN 0.655 nan 8.270 nan 0.000 0.432 20 K N 0.492 120.955 120.400 0.104 0.000 2.044 20 K HA -0.147 4.174 4.320 0.002 0.000 0.210 20 K C 2.111 178.798 176.600 0.145 0.000 1.049 20 K CA 1.302 57.656 56.287 0.111 0.000 0.927 20 K CB -0.589 31.964 32.500 0.088 0.000 0.713 20 K HN 0.276 nan 8.250 nan 0.000 0.443 21 A N 1.747 124.658 122.820 0.153 0.000 1.883 21 A HA -0.126 4.195 4.320 0.002 0.000 0.217 21 A C 2.507 180.268 177.584 0.295 0.000 1.186 21 A CA 2.277 54.426 52.037 0.186 0.000 0.624 21 A CB -0.743 18.352 19.000 0.158 0.000 0.822 21 A HN 0.350 nan 8.150 nan 0.000 0.444 22 A N -0.566 122.464 122.820 0.351 0.000 1.908 22 A HA -0.202 4.119 4.320 0.002 0.000 0.218 22 A C 2.270 180.097 177.584 0.404 0.000 1.181 22 A CA 1.890 54.243 52.037 0.527 0.000 0.627 22 A CB -0.492 18.708 19.000 0.334 0.000 0.818 22 A HN 0.560 nan 8.150 nan 0.000 0.445 23 R N -0.661 119.996 120.500 0.261 0.000 2.066 23 R HA -0.080 4.262 4.340 0.002 0.000 0.232 23 R C 2.490 178.898 176.300 0.180 0.000 1.131 23 R CA 1.366 57.583 56.100 0.195 0.000 0.955 23 R CB -0.220 30.174 30.300 0.157 0.000 0.851 23 R HN 0.524 nan 8.270 nan 0.000 0.432 24 R N -0.408 120.209 120.500 0.195 0.000 2.083 24 R HA -0.177 4.165 4.340 0.002 0.000 0.237 24 R C 2.209 178.648 176.300 0.232 0.000 1.137 24 R CA 1.665 57.870 56.100 0.175 0.000 0.951 24 R CB -0.615 29.782 30.300 0.161 0.000 0.851 24 R HN 0.218 nan 8.270 nan 0.000 0.434 25 F N 2.028 122.057 119.950 0.132 0.000 2.010 25 F HA -0.202 4.326 4.527 0.002 0.000 0.296 25 F C 1.923 177.823 175.800 0.166 0.000 1.146 25 F CA 1.561 59.645 58.000 0.139 0.000 1.181 25 F CB -0.884 38.209 39.000 0.155 0.000 0.965 25 F HN -0.136 nan 8.300 nan 0.000 0.480 26 L N 0.086 121.166 121.223 -0.238 0.000 2.189 26 L HA -0.211 4.131 4.340 0.002 0.000 0.214 26 L C 2.343 179.127 176.870 -0.143 0.000 1.097 26 L CA 1.850 56.475 54.840 -0.359 0.000 0.764 26 L CB -0.878 41.135 42.059 -0.077 0.000 0.900 26 L HN 0.296 nan 8.230 nan 0.000 0.436 27 E N 0.155 120.337 120.200 -0.030 0.000 2.358 27 E HA -0.182 4.170 4.350 0.002 0.000 0.195 27 E C 2.111 178.697 176.600 -0.023 0.000 1.010 27 E CA 0.590 56.981 56.400 -0.014 0.000 0.856 27 E CB 0.242 29.960 29.700 0.029 0.000 0.795 27 E HN 0.333 nan 8.360 nan 0.000 0.504 28 K N -0.147 120.257 120.400 0.006 0.000 2.168 28 K HA 0.047 4.368 4.320 0.002 0.000 0.201 28 K C 1.598 178.211 176.600 0.023 0.000 1.049 28 K CA 0.821 57.129 56.287 0.035 0.000 0.974 28 K CB 0.277 32.847 32.500 0.116 0.000 0.792 28 K HN -0.037 nan 8.250 nan 0.000 0.463 29 E N -1.253 118.946 120.200 -0.002 0.000 2.431 29 E HA 0.119 4.470 4.350 0.002 0.000 0.200 29 E C 0.920 177.591 176.600 0.117 0.000 0.995 29 E CA 0.459 56.898 56.400 0.066 0.000 0.915 29 E CB 0.929 30.678 29.700 0.082 0.000 0.930 29 E HN 0.381 nan 8.360 nan 0.000 0.496 30 A N 0.077 122.886 122.820 -0.018 0.000 1.933 30 A HA 0.111 4.433 4.320 0.002 0.000 0.198 30 A C 1.678 179.210 177.584 -0.086 0.000 1.617 30 A CA -0.228 51.883 52.037 0.123 0.000 1.039 30 A CB -0.328 18.798 19.000 0.210 0.000 1.066 30 A HN 0.157 nan 8.150 nan 0.000 0.484 31 L N 0.830 121.990 121.223 -0.106 0.000 2.081 31 L HA -0.064 4.278 4.340 0.002 0.000 0.212 31 L C -1.099 175.631 176.870 -0.234 0.000 1.080 31 L CA 2.220 56.980 54.840 -0.134 0.000 0.754 31 L CB -0.694 41.307 42.059 -0.097 0.000 0.893 31 L HN 0.203 nan 8.230 nan 0.000 0.433 32 P HA -0.070 nan 4.420 nan 0.000 0.234 32 P C 0.398 177.284 177.300 -0.690 0.000 1.167 32 P CA 1.244 64.027 63.100 -0.528 0.000 0.763 32 P CB 0.027 31.340 31.700 -0.644 0.000 0.835 33 H N -2.952 115.810 119.070 -0.512 0.000 3.058 33 H HA 0.212 4.769 4.556 0.002 0.000 0.266 33 H C 1.544 176.343 175.328 -0.881 0.000 1.135 33 H CA -0.462 55.045 56.048 -0.902 0.000 1.174 33 H CB 0.050 28.821 29.762 -1.652 0.000 1.581 33 H HN 0.047 nan 8.280 nan 0.000 0.553 34 I N 1.873 122.243 120.570 -0.334 0.000 2.264 34 I HA -0.201 3.970 4.170 0.002 0.000 0.248 34 I C 2.642 178.819 176.117 0.101 0.000 1.111 34 I CA 1.330 62.634 61.300 0.006 0.000 1.382 34 I CB -0.253 37.780 38.000 0.054 0.000 1.060 34 I HN 0.032 nan 8.210 nan 0.000 0.418 35 R N 0.120 120.633 120.500 0.022 0.000 2.081 35 R HA -0.169 4.172 4.340 0.002 0.000 0.235 35 R C 1.807 178.182 176.300 0.125 0.000 1.131 35 R CA 1.878 58.014 56.100 0.061 0.000 0.960 35 R CB -0.221 30.066 30.300 -0.022 0.000 0.856 35 R HN 0.381 nan 8.270 nan 0.000 0.436 36 D N -0.783 119.637 120.400 0.034 0.000 2.162 36 D HA -0.153 4.488 4.640 0.002 0.000 0.203 36 D C 1.699 178.128 176.300 0.215 0.000 0.967 36 D CA 0.748 54.790 54.000 0.071 0.000 0.840 36 D CB -0.167 40.617 40.800 -0.027 0.000 0.972 36 D HN 0.342 nan 8.370 nan 0.000 0.482 37 W N 0.182 121.567 121.300 0.141 0.000 2.388 37 W HA -0.067 4.594 4.660 0.002 0.000 0.294 37 W C 2.201 178.821 176.519 0.169 0.000 1.212 37 W CA -0.297 57.116 57.345 0.114 0.000 1.271 37 W CB -1.385 28.124 29.460 0.082 0.000 1.126 37 W HN 0.138 nan 8.180 nan 0.000 0.535 38 W N 1.433 122.890 121.300 0.263 0.000 2.378 38 W HA -0.150 4.511 4.660 0.002 0.000 0.313 38 W C 2.329 178.926 176.519 0.129 0.000 1.197 38 W CA 2.285 59.733 57.345 0.172 0.000 1.304 38 W CB -0.391 29.140 29.460 0.120 0.000 1.148 38 W HN -0.143 nan 8.180 nan 0.000 0.494 39 E N -0.003 120.488 120.200 0.486 0.000 2.065 39 E HA -0.304 4.048 4.350 0.002 0.000 0.201 39 E C 1.717 178.395 176.600 0.130 0.000 1.016 39 E CA 2.097 58.685 56.400 0.315 0.000 0.818 39 E CB -0.540 29.305 29.700 0.242 0.000 0.749 39 E HN 0.542 nan 8.360 nan 0.000 0.453 40 E N -0.324 119.956 120.200 0.134 0.000 2.478 40 E HA 0.042 4.393 4.350 0.002 0.000 0.198 40 E C 0.949 177.571 176.600 0.035 0.000 1.046 40 E CA 0.367 56.818 56.400 0.084 0.000 0.870 40 E CB 0.077 29.845 29.700 0.113 0.000 0.818 40 E HN 0.342 nan 8.360 nan 0.000 0.527 41 G N 1.630 110.424 108.800 -0.010 0.000 2.272 41 G HA2 -0.260 3.701 3.960 0.002 0.000 0.280 41 G HA3 -0.260 3.701 3.960 0.002 0.000 0.280 41 G C -0.244 174.660 174.900 0.008 0.000 1.067 41 G CA 0.437 45.489 45.100 -0.079 0.000 0.902 41 G HN 0.283 nan 8.290 nan 0.000 0.500 42 V N -0.205 119.747 119.914 0.062 0.000 2.735 42 V HA 0.817 4.939 4.120 0.002 0.000 0.310 42 V C -0.354 175.740 176.094 0.000 0.000 1.061 42 V CA -1.473 60.856 62.300 0.049 0.000 0.913 42 V CB 1.837 33.682 31.823 0.037 0.000 1.005 42 V HN 0.640 nan 8.190 nan 0.000 0.428 43 F N 8.760 128.642 119.950 -0.114 0.000 2.411 43 F HA 0.660 5.188 4.527 0.002 0.000 0.350 43 F C -1.800 173.776 175.800 -0.374 0.000 1.114 43 F CA -2.275 55.609 58.000 -0.194 0.000 1.135 43 F CB 1.688 40.635 39.000 -0.089 0.000 1.120 43 F HN 0.385 nan 8.300 nan 0.000 0.495 44 P HA 0.034 nan 4.420 nan 0.000 0.263 44 P C 0.582 177.393 177.300 -0.815 0.000 1.601 44 P CA 0.031 62.395 63.100 -1.227 0.000 1.161 44 P CB 0.064 30.493 31.700 -2.118 0.000 1.730 45 T N -0.778 113.602 114.554 -0.290 0.000 3.007 45 T HA -0.191 4.160 4.350 0.002 0.000 0.270 45 T C 1.407 176.007 174.700 -0.167 0.000 1.107 45 T CA 1.180 63.201 62.100 -0.132 0.000 1.118 45 T CB -1.280 67.597 68.868 0.015 0.000 0.889 45 T HN 0.539 nan 8.240 nan 0.000 0.506 46 H N -0.909 118.003 119.070 -0.262 0.000 2.556 46 H HA 0.398 4.955 4.556 0.002 0.000 0.268 46 H C 1.710 176.903 175.328 -0.225 0.000 0.996 46 H CA -0.137 55.807 56.048 -0.175 0.000 1.157 46 H CB -0.156 29.538 29.762 -0.113 0.000 1.355 46 H HN 0.255 nan 8.280 nan 0.000 0.597 47 L N 0.321 121.002 121.223 -0.905 0.000 2.554 47 L HA 0.237 4.578 4.340 0.002 0.000 0.225 47 L C 1.729 178.008 176.870 -0.983 0.000 1.104 47 L CA 0.426 54.681 54.840 -0.975 0.000 0.866 47 L CB -0.105 41.254 42.059 -1.167 0.000 1.047 47 L HN 0.384 nan 8.230 nan 0.000 0.468 48 I N 0.933 121.091 120.570 -0.686 0.000 2.179 48 I HA -0.167 4.004 4.170 0.002 0.000 0.242 48 I C -0.393 175.648 176.117 -0.126 0.000 1.088 48 I CA 1.149 62.196 61.300 -0.421 0.000 1.357 48 I CB -1.370 36.499 38.000 -0.218 0.000 1.051 48 I HN 0.202 nan 8.210 nan 0.000 0.409 49 P HA -0.152 nan 4.420 nan 0.000 0.218 49 P C 1.365 178.626 177.300 -0.065 0.000 1.149 49 P CA 1.403 64.481 63.100 -0.036 0.000 0.817 49 P CB -0.188 31.495 31.700 -0.029 0.000 0.785 50 R N -1.080 119.339 120.500 -0.135 0.000 2.062 50 R HA -0.026 4.316 4.340 0.002 0.000 0.229 50 R C 2.361 178.552 176.300 -0.182 0.000 1.128 50 R CA 0.938 56.936 56.100 -0.169 0.000 0.960 50 R CB -1.483 28.771 30.300 -0.076 0.000 0.855 50 R HN 0.188 nan 8.270 nan 0.000 0.432 51 F N 1.346 121.220 119.950 -0.127 0.000 2.065 51 F HA -0.203 4.326 4.527 0.002 0.000 0.298 51 F C 2.631 178.308 175.800 -0.206 0.000 1.112 51 F CA 0.898 58.800 58.000 -0.163 0.000 1.212 51 F CB -1.444 37.729 39.000 0.288 0.000 0.975 51 F HN 0.075 nan 8.300 nan 0.000 0.476 52 A N -0.006 122.933 122.820 0.198 0.000 1.851 52 A HA -0.249 4.072 4.320 0.002 0.000 0.216 52 A C 2.119 179.695 177.584 -0.013 0.000 1.195 52 A CA 1.968 54.078 52.037 0.123 0.000 0.622 52 A CB -1.117 17.956 19.000 0.121 0.000 0.831 52 A HN 0.412 nan 8.150 nan 0.000 0.444 53 E N -0.640 119.513 120.200 -0.078 0.000 2.219 53 E HA -0.191 4.160 4.350 0.002 0.000 0.198 53 E C 1.360 177.849 176.600 -0.184 0.000 0.998 53 E CA 1.271 57.600 56.400 -0.117 0.000 0.818 53 E CB -0.254 29.366 29.700 -0.134 0.000 0.741 53 E HN 0.516 nan 8.360 nan 0.000 0.477 54 L N -1.022 119.997 121.223 -0.341 0.000 2.591 54 L HA 0.215 4.557 4.340 0.002 0.000 0.228 54 L C 1.362 178.143 176.870 -0.148 0.000 1.133 54 L CA 0.790 55.393 54.840 -0.395 0.000 0.880 54 L CB 0.006 41.547 42.059 -0.863 0.000 1.033 54 L HN 0.183 nan 8.230 nan 0.000 0.450 55 G N -1.696 107.087 108.800 -0.028 0.000 2.149 55 G HA2 -0.308 3.654 3.960 0.002 0.000 0.235 55 G HA3 -0.308 3.654 3.960 0.002 0.000 0.235 55 G C 0.724 175.823 174.900 0.332 0.000 1.018 55 G CA 0.118 45.295 45.100 0.129 0.000 0.728 55 G HN 0.164 nan 8.290 nan 0.000 0.508 56 F N -0.515 119.497 119.950 0.103 0.000 2.456 56 F HA 0.310 4.838 4.527 0.002 0.000 0.298 56 F C 1.528 177.396 175.800 0.114 0.000 1.104 56 F CA -0.337 57.725 58.000 0.104 0.000 1.435 56 F CB -0.185 38.856 39.000 0.069 0.000 1.078 56 F HN 0.106 nan 8.300 nan 0.000 0.546 57 L N 0.194 121.611 121.223 0.325 0.000 2.295 57 L HA 0.399 4.741 4.340 0.002 0.000 0.288 57 L C 1.077 177.997 176.870 0.082 0.000 1.079 57 L CA -0.463 54.502 54.840 0.209 0.000 0.830 57 L CB -0.056 42.147 42.059 0.239 0.000 1.200 57 L HN 0.346 nan 8.230 nan 0.000 0.438 58 G N 4.693 113.485 108.800 -0.014 0.000 2.314 58 G HA2 -0.216 3.745 3.960 0.002 0.000 0.292 58 G HA3 -0.216 3.745 3.960 0.002 0.000 0.292 58 G C -1.035 173.791 174.900 -0.123 0.000 1.059 58 G CA 0.072 45.101 45.100 -0.117 0.000 0.982 58 G HN 0.545 nan 8.290 nan 0.000 0.505 59 P HA -0.220 nan 4.420 nan 0.000 0.216 59 P C 2.010 179.252 177.300 -0.096 0.000 1.153 59 P CA 2.401 65.468 63.100 -0.054 0.000 0.858 59 P CB -0.299 31.406 31.700 0.008 0.000 0.789 60 T N -3.290 111.152 114.554 -0.188 0.000 3.085 60 T HA 0.068 4.419 4.350 0.002 0.000 0.263 60 T C 1.164 175.753 174.700 -0.185 0.000 1.127 60 T CA -0.031 61.974 62.100 -0.158 0.000 1.103 60 T CB -0.846 67.916 68.868 -0.177 0.000 0.921 60 T HN -0.052 nan 8.240 nan 0.000 0.510 61 L N 1.788 122.869 121.223 -0.237 0.000 2.467 61 L HA 0.285 4.626 4.340 0.002 0.000 0.270 61 L C -2.224 174.546 176.870 -0.167 0.000 1.205 61 L CA -2.158 52.485 54.840 -0.327 0.000 0.828 61 L CB -0.034 41.812 42.059 -0.356 0.000 1.101 61 L HN -0.004 nan 8.230 nan 0.000 0.479 62 P HA 0.056 nan 4.420 nan 0.000 0.267 62 P C -2.081 175.243 177.300 0.039 0.000 1.205 62 P CA -0.936 62.178 63.100 0.022 0.000 0.765 62 P CB 0.246 32.044 31.700 0.163 0.000 0.828 63 P HA -0.207 nan 4.420 nan 0.000 0.220 63 P C 0.985 178.266 177.300 -0.031 0.000 1.144 63 P CA 1.431 64.528 63.100 -0.004 0.000 0.800 63 P CB -0.184 31.510 31.700 -0.011 0.000 0.772 64 E N -1.592 118.562 120.200 -0.077 0.000 2.118 64 E HA -0.201 4.150 4.350 0.002 0.000 0.195 64 E C 0.848 177.248 176.600 -0.333 0.000 0.992 64 E CA 1.170 57.425 56.400 -0.241 0.000 0.804 64 E CB -0.594 28.870 29.700 -0.394 0.000 0.741 64 E HN 0.450 nan 8.360 nan 0.000 0.458 65 Y N -0.522 119.788 120.300 0.017 0.000 2.493 65 Y HA 0.295 4.846 4.550 0.002 0.000 0.275 65 Y C 1.364 177.268 175.900 0.007 0.000 1.183 65 Y CA 0.270 58.384 58.100 0.023 0.000 1.258 65 Y CB 1.092 39.584 38.460 0.053 0.000 1.108 65 Y HN 0.125 nan 8.280 nan 0.000 0.521 66 G N -0.344 108.506 108.800 0.083 0.000 2.141 66 G HA2 -0.193 3.768 3.960 0.002 0.000 0.231 66 G HA3 -0.193 3.768 3.960 0.002 0.000 0.231 66 G C 0.565 175.494 174.900 0.048 0.000 0.984 66 G CA -0.179 44.955 45.100 0.057 0.000 0.660 66 G HN 0.709 nan 8.290 nan 0.000 0.525 67 G N -1.058 107.765 108.800 0.039 0.000 2.476 67 G HA2 0.700 4.661 3.960 0.002 0.000 0.286 67 G HA3 0.700 4.661 3.960 0.002 0.000 0.286 67 G C 1.070 175.970 174.900 0.001 0.000 1.177 67 G CA 0.329 45.431 45.100 0.003 0.000 0.870 67 G HN 1.253 nan 8.290 nan 0.000 0.528 68 A N -0.114 122.706 122.820 0.001 0.000 2.167 68 A HA 0.397 4.718 4.320 0.002 0.000 0.214 68 A C 2.138 179.722 177.584 -0.001 0.000 1.151 68 A CA 1.312 53.356 52.037 0.012 0.000 0.735 68 A CB -0.655 18.368 19.000 0.038 0.000 0.802 68 A HN 2.316 nan 8.150 nan 0.000 0.467 69 G N -0.193 108.593 108.800 -0.024 0.000 2.321 69 G HA2 -0.188 3.774 3.960 0.002 0.000 0.287 69 G HA3 -0.188 3.774 3.960 0.002 0.000 0.287 69 G C 0.498 175.389 174.900 -0.016 0.000 1.018 69 G CA 0.888 45.972 45.100 -0.027 0.000 0.855 69 G HN 1.666 nan 8.290 nan 0.000 0.507 70 V N -2.376 117.531 119.914 -0.011 0.000 3.369 70 V HA 0.901 5.022 4.120 0.002 0.000 0.309 70 V C 1.138 177.228 176.094 -0.006 0.000 1.069 70 V CA -0.014 62.288 62.300 0.003 0.000 1.042 70 V CB 1.221 33.057 31.823 0.022 0.000 1.192 70 V HN 1.299 nan 8.190 nan 0.000 0.447 71 S N 0.613 116.315 115.700 0.004 0.000 2.606 71 S HA 0.160 4.631 4.470 0.002 0.000 0.257 71 S C 1.113 175.724 174.600 0.017 0.000 1.327 71 S CA 0.376 58.577 58.200 0.002 0.000 0.984 71 S CB 0.723 63.930 63.200 0.012 0.000 0.941 71 S HN 0.898 nan 8.310 nan 0.000 0.576 72 S N 0.832 116.539 115.700 0.012 0.000 2.387 72 S HA 0.026 4.498 4.470 0.002 0.000 0.226 72 S C 2.275 176.970 174.600 0.159 0.000 1.026 72 S CA 0.796 59.042 58.200 0.076 0.000 0.972 72 S CB -1.030 62.073 63.200 -0.161 0.000 0.814 72 S HN 0.870 nan 8.310 nan 0.000 0.477 73 A N 1.776 124.630 122.820 0.057 0.000 1.908 73 A HA 0.001 4.323 4.320 0.002 0.000 0.218 73 A C 2.347 179.723 177.584 -0.347 0.000 1.181 73 A CA 1.816 53.784 52.037 -0.116 0.000 0.627 73 A CB -1.105 17.923 19.000 0.046 0.000 0.818 73 A HN 0.518 nan 8.150 nan 0.000 0.445 74 A N -1.477 121.262 122.820 -0.134 0.000 1.902 74 A HA -0.113 4.208 4.320 0.002 0.000 0.217 74 A C 2.158 179.668 177.584 -0.123 0.000 1.181 74 A CA 1.759 53.728 52.037 -0.114 0.000 0.623 74 A CB -0.800 18.192 19.000 -0.015 0.000 0.818 74 A HN 0.772 nan 8.150 nan 0.000 0.443 75 Y N 1.019 121.202 120.300 -0.195 0.000 2.181 75 Y HA -0.046 4.505 4.550 0.002 0.000 0.288 75 Y C 2.400 178.094 175.900 -0.344 0.000 1.146 75 Y CA 1.202 59.200 58.100 -0.170 0.000 1.164 75 Y CB -1.014 37.435 38.460 -0.018 0.000 0.982 75 Y HN 0.191 nan 8.280 nan 0.000 0.515 76 G N 0.445 108.783 108.800 -0.770 0.000 2.422 76 G HA2 -0.227 3.735 3.960 0.002 0.000 0.218 76 G HA3 -0.227 3.735 3.960 0.002 0.000 0.218 76 G C 1.753 175.999 174.900 -1.091 0.000 1.146 76 G CA 1.118 45.206 45.100 -1.688 0.000 0.769 76 G HN 0.469 nan 8.290 nan 0.000 0.547 77 L N 0.422 121.118 121.223 -0.878 0.000 2.141 77 L HA 0.009 4.350 4.340 0.002 0.000 0.209 77 L C 2.760 179.526 176.870 -0.173 0.000 1.094 77 L CA 0.917 55.523 54.840 -0.389 0.000 0.763 77 L CB -0.346 41.534 42.059 -0.298 0.000 0.908 77 L HN 0.456 nan 8.230 nan 0.000 0.437 78 I N -3.655 116.754 120.570 -0.269 0.000 2.406 78 I HA -0.160 4.011 4.170 0.002 0.000 0.249 78 I C 2.471 178.394 176.117 -0.323 0.000 1.122 78 I CA 1.136 62.217 61.300 -0.365 0.000 1.431 78 I CB -0.733 36.885 38.000 -0.638 0.000 1.087 78 I HN 0.050 nan 8.210 nan 0.000 0.424 79 C N 0.492 119.613 119.300 -0.298 0.000 2.425 79 C HA -0.168 4.294 4.460 0.002 0.000 0.277 79 C C 2.708 177.671 174.990 -0.045 0.000 1.280 79 C CA 1.177 60.066 59.018 -0.215 0.000 1.744 79 C CB -1.351 26.194 27.740 -0.326 0.000 1.989 79 C HN 0.692 nan 8.230 nan 0.000 0.491 80 Y N 2.012 122.261 120.300 -0.086 0.000 2.097 80 Y HA -0.208 4.343 4.550 0.002 0.000 0.282 80 Y C 2.518 178.427 175.900 0.014 0.000 1.152 80 Y CA 2.020 60.141 58.100 0.036 0.000 1.136 80 Y CB -0.274 38.266 38.460 0.134 0.000 0.975 80 Y HN 0.268 nan 8.280 nan 0.000 0.498 81 E N 0.323 120.634 120.200 0.186 0.000 2.106 81 E HA -0.176 4.175 4.350 0.002 0.000 0.192 81 E C 2.371 178.980 176.600 0.015 0.000 0.984 81 E CA 1.230 57.694 56.400 0.107 0.000 0.806 81 E CB -0.536 29.250 29.700 0.144 0.000 0.750 81 E HN 0.550 nan 8.360 nan 0.000 0.458 82 L N 0.546 121.749 121.223 -0.034 0.000 1.994 82 L HA -0.214 4.128 4.340 0.002 0.000 0.208 82 L C 2.612 179.505 176.870 0.038 0.000 1.071 82 L CA 1.536 56.371 54.840 -0.009 0.000 0.745 82 L CB -0.296 41.715 42.059 -0.080 0.000 0.892 82 L HN 0.105 nan 8.230 nan 0.000 0.431 83 E N 0.088 120.291 120.200 0.005 0.000 2.153 83 E HA -0.261 4.090 4.350 0.002 0.000 0.194 83 E C 2.252 178.858 176.600 0.010 0.000 0.988 83 E CA 0.808 57.227 56.400 0.031 0.000 0.811 83 E CB 0.002 29.695 29.700 -0.012 0.000 0.746 83 E HN 0.181 nan 8.360 nan 0.000 0.466 84 R N -0.339 120.098 120.500 -0.105 0.000 2.159 84 R HA -0.138 4.203 4.340 0.002 0.000 0.237 84 R C 1.603 177.908 176.300 0.009 0.000 1.131 84 R CA 1.377 57.388 56.100 -0.148 0.000 0.982 84 R CB 0.057 30.240 30.300 -0.194 0.000 0.868 84 R HN 0.134 nan 8.270 nan 0.000 0.453 85 V N -0.622 119.328 119.914 0.060 0.000 2.326 85 V HA 0.043 4.165 4.120 0.002 0.000 0.238 85 V C 0.312 176.465 176.094 0.098 0.000 1.038 85 V CA 1.434 63.766 62.300 0.053 0.000 1.032 85 V CB -0.117 31.744 31.823 0.064 0.000 0.675 85 V HN 0.385 nan 8.190 nan 0.000 0.467 86 D N -2.672 117.823 120.400 0.159 0.000 2.836 86 D HA 0.260 4.901 4.640 0.002 0.000 0.215 86 D C 0.517 176.952 176.300 0.226 0.000 1.255 86 D CA 0.026 54.124 54.000 0.163 0.000 0.822 86 D CB 1.798 42.708 40.800 0.182 0.000 1.656 86 D HN -0.066 nan 8.370 nan 0.000 0.511 87 S N 1.415 117.257 115.700 0.236 0.000 2.419 87 S HA -0.068 4.403 4.470 0.002 0.000 0.235 87 S C 1.961 176.736 174.600 0.291 0.000 1.019 87 S CA 1.145 59.487 58.200 0.236 0.000 0.982 87 S CB -0.142 63.185 63.200 0.212 0.000 0.789 87 S HN 0.650 nan 8.310 nan 0.000 0.490 88 G N 1.509 110.512 108.800 0.339 0.000 2.422 88 G HA2 -0.076 3.885 3.960 0.002 0.000 0.218 88 G HA3 -0.076 3.885 3.960 0.002 0.000 0.218 88 G C 1.276 176.492 174.900 0.527 0.000 1.140 88 G CA 0.387 45.734 45.100 0.412 0.000 0.775 88 G HN 0.455 nan 8.290 nan 0.000 0.545 89 L N -0.332 121.172 121.223 0.468 0.000 2.109 89 L HA 0.051 4.393 4.340 0.002 0.000 0.207 89 L C 2.945 180.077 176.870 0.437 0.000 1.086 89 L CA 0.613 55.779 54.840 0.544 0.000 0.760 89 L CB -0.362 41.942 42.059 0.409 0.000 0.910 89 L HN 0.104 nan 8.230 nan 0.000 0.437 90 R N 0.256 120.927 120.500 0.285 0.000 2.090 90 R HA -0.081 4.260 4.340 0.002 0.000 0.228 90 R C 2.262 178.693 176.300 0.219 0.000 1.110 90 R CA 1.453 57.658 56.100 0.176 0.000 0.973 90 R CB -0.258 30.112 30.300 0.116 0.000 0.869 90 R HN 0.235 nan 8.270 nan 0.000 0.440 91 S N 0.792 116.662 115.700 0.284 0.000 2.370 91 S HA -0.170 4.302 4.470 0.002 0.000 0.226 91 S C 1.566 176.288 174.600 0.204 0.000 1.033 91 S CA 1.507 59.855 58.200 0.248 0.000 1.011 91 S CB -0.475 62.912 63.200 0.312 0.000 0.852 91 S HN 0.421 nan 8.310 nan 0.000 0.457 92 F N 2.407 122.461 119.950 0.174 0.000 2.069 92 F HA -0.180 4.348 4.527 0.002 0.000 0.298 92 F C 2.141 178.045 175.800 0.173 0.000 1.113 92 F CA 1.338 59.411 58.000 0.122 0.000 1.214 92 F CB -0.464 38.670 39.000 0.222 0.000 0.978 92 F HN -0.029 nan 8.300 nan 0.000 0.474 93 V N -0.458 119.638 119.914 0.303 0.000 2.407 93 V HA -0.282 3.839 4.120 0.002 0.000 0.248 93 V C 2.410 178.565 176.094 0.100 0.000 1.055 93 V CA 1.953 64.364 62.300 0.185 0.000 1.049 93 V CB -0.952 30.972 31.823 0.169 0.000 0.662 93 V HN 0.365 nan 8.190 nan 0.000 0.455 94 S N 0.060 115.817 115.700 0.095 0.000 2.348 94 S HA -0.175 4.296 4.470 0.002 0.000 0.221 94 S C 2.062 176.655 174.600 -0.013 0.000 1.033 94 S CA 1.615 59.866 58.200 0.085 0.000 1.010 94 S CB -0.318 62.897 63.200 0.026 0.000 0.891 94 S HN 0.380 nan 8.310 nan 0.000 0.442 95 V N 1.824 121.685 119.914 -0.089 0.000 2.255 95 V HA -0.256 3.865 4.120 0.002 0.000 0.247 95 V C 2.621 178.642 176.094 -0.122 0.000 1.051 95 V CA 2.259 64.484 62.300 -0.126 0.000 1.018 95 V CB -0.825 30.910 31.823 -0.145 0.000 0.641 95 V HN 0.407 nan 8.190 nan 0.000 0.445 96 Q N 0.087 119.746 119.800 -0.235 0.000 2.084 96 Q HA -0.163 4.179 4.340 0.002 0.000 0.202 96 Q C 2.264 178.229 176.000 -0.059 0.000 0.978 96 Q CA 2.427 58.113 55.803 -0.195 0.000 0.844 96 Q CB -0.223 28.317 28.738 -0.331 0.000 0.898 96 Q HN 0.669 nan 8.270 nan 0.000 0.426 97 S N -0.941 114.737 115.700 -0.035 0.000 2.341 97 S HA 0.029 4.501 4.470 0.002 0.000 0.216 97 S C 1.866 176.457 174.600 -0.015 0.000 1.034 97 S CA 0.986 59.157 58.200 -0.048 0.000 0.964 97 S CB -0.034 63.096 63.200 -0.117 0.000 0.882 97 S HN 0.320 nan 8.310 nan 0.000 0.469 98 S N 0.822 116.531 115.700 0.015 0.000 2.517 98 S HA 0.351 4.823 4.470 0.002 0.000 0.214 98 S C 1.252 175.867 174.600 0.025 0.000 0.991 98 S CA 0.120 58.333 58.200 0.022 0.000 0.906 98 S CB 0.091 63.299 63.200 0.012 0.000 0.789 98 S HN 0.279 nan 8.310 nan 0.000 0.513 99 L N 0.124 121.347 121.223 0.000 0.000 2.731 99 L HA 0.311 4.653 4.340 0.002 0.000 0.240 99 L C 1.045 178.090 176.870 0.291 0.000 1.120 99 L CA 0.142 54.980 54.840 -0.004 0.000 0.913 99 L CB 0.417 42.285 42.059 -0.317 0.000 1.213 99 L HN 0.155 nan 8.230 nan 0.000 0.515 100 V N -1.510 118.511 119.914 0.179 0.000 3.161 100 V HA 0.049 4.171 4.120 0.002 0.000 0.221 100 V C 1.976 178.134 176.094 0.107 0.000 1.296 100 V CA 0.297 62.686 62.300 0.149 0.000 1.306 100 V CB 0.352 32.210 31.823 0.058 0.000 1.171 100 V HN 0.125 nan 8.190 nan 0.000 0.513 101 M N -0.480 119.162 119.600 0.070 0.000 2.117 101 M HA -0.172 4.309 4.480 0.002 0.000 0.262 101 M C 2.249 178.572 176.300 0.038 0.000 1.065 101 M CA 2.370 57.693 55.300 0.039 0.000 1.114 101 M CB -0.465 32.136 32.600 0.001 0.000 1.361 101 M HN 0.540 nan 8.290 nan 0.000 0.408 102 Y N 2.079 122.378 120.300 -0.002 0.000 2.097 102 Y HA -0.164 4.387 4.550 0.002 0.000 0.282 102 Y C -0.704 175.226 175.900 0.051 0.000 1.152 102 Y CA 2.024 60.128 58.100 0.007 0.000 1.136 102 Y CB -1.697 36.757 38.460 -0.009 0.000 0.975 102 Y HN 0.099 nan 8.280 nan 0.000 0.498 103 P HA -0.193 nan 4.420 nan 0.000 0.218 103 P C 1.700 178.993 177.300 -0.013 0.000 1.148 103 P CA 1.946 65.133 63.100 0.145 0.000 0.822 103 P CB -0.162 31.866 31.700 0.547 0.000 0.784 104 I N -1.778 118.784 120.570 -0.014 0.000 2.252 104 I HA -0.241 3.930 4.170 0.002 0.000 0.245 104 I C 2.743 178.784 176.117 -0.126 0.000 1.102 104 I CA 1.332 62.615 61.300 -0.028 0.000 1.385 104 I CB -0.644 37.370 38.000 0.024 0.000 1.064 104 I HN -0.127 nan 8.210 nan 0.000 0.414 105 Y N 1.471 121.565 120.300 -0.344 0.000 2.200 105 Y HA -0.180 4.371 4.550 0.002 0.000 0.290 105 Y C 2.426 178.030 175.900 -0.493 0.000 1.137 105 Y CA 1.478 59.309 58.100 -0.448 0.000 1.163 105 Y CB -0.214 37.982 38.460 -0.441 0.000 0.988 105 Y HN 0.090 nan 8.280 nan 0.000 0.518 106 A N -1.508 120.896 122.820 -0.692 0.000 1.975 106 A HA -0.036 4.285 4.320 0.002 0.000 0.215 106 A C 1.033 178.129 177.584 -0.812 0.000 1.170 106 A CA 1.324 52.796 52.037 -0.942 0.000 0.656 106 A CB -0.646 17.488 19.000 -1.444 0.000 0.821 106 A HN 0.573 nan 8.150 nan 0.000 0.449 107 Y N -0.968 119.217 120.300 -0.192 0.000 2.527 107 Y HA 0.376 4.927 4.550 0.002 0.000 0.247 107 Y C 1.406 177.238 175.900 -0.114 0.000 1.138 107 Y CA -0.834 57.199 58.100 -0.112 0.000 1.228 107 Y CB -0.373 38.072 38.460 -0.024 0.000 1.252 107 Y HN 0.222 nan 8.280 nan 0.000 0.531 108 G N 0.590 109.366 108.800 -0.040 0.000 2.562 108 G HA2 0.401 4.363 3.960 0.002 0.000 0.275 108 G HA3 0.401 4.363 3.960 0.002 0.000 0.275 108 G C 0.078 174.947 174.900 -0.051 0.000 1.196 108 G CA -0.285 44.797 45.100 -0.032 0.000 0.908 108 G HN 0.189 nan 8.290 nan 0.000 0.524 109 S N -0.785 114.903 115.700 -0.019 0.000 2.614 109 S HA 0.170 4.642 4.470 0.002 0.000 0.265 109 S C 1.091 175.678 174.600 -0.023 0.000 1.303 109 S CA -0.007 58.182 58.200 -0.017 0.000 1.000 109 S CB 1.688 64.890 63.200 0.003 0.000 0.935 109 S HN 0.593 nan 8.310 nan 0.000 0.551 110 E N 0.438 120.632 120.200 -0.011 0.000 2.204 110 E HA -0.149 4.202 4.350 0.002 0.000 0.195 110 E C 1.804 178.419 176.600 0.026 0.000 0.990 110 E CA 1.620 58.031 56.400 0.019 0.000 0.821 110 E CB -0.240 29.477 29.700 0.029 0.000 0.750 110 E HN 0.837 nan 8.360 nan 0.000 0.477 111 E N -0.164 120.035 120.200 -0.001 0.000 2.046 111 E HA -0.216 4.135 4.350 0.002 0.000 0.190 111 E C 1.972 178.532 176.600 -0.067 0.000 0.982 111 E CA 1.015 57.397 56.400 -0.030 0.000 0.800 111 E CB -0.015 29.668 29.700 -0.028 0.000 0.756 111 E HN 0.367 nan 8.360 nan 0.000 0.449 112 Q N 0.357 120.147 119.800 -0.018 0.000 2.084 112 Q HA -0.164 4.178 4.340 0.002 0.000 0.202 112 Q C 2.214 178.249 176.000 0.059 0.000 0.978 112 Q CA 1.460 57.292 55.803 0.049 0.000 0.844 112 Q CB -0.021 28.817 28.738 0.168 0.000 0.898 112 Q HN 0.166 nan 8.270 nan 0.000 0.426 113 K N 0.501 120.914 120.400 0.021 0.000 2.026 113 K HA -0.105 4.216 4.320 0.002 0.000 0.208 113 K C 2.139 178.817 176.600 0.131 0.000 1.048 113 K CA 1.079 57.358 56.287 -0.013 0.000 0.929 113 K CB -0.086 32.289 32.500 -0.208 0.000 0.713 113 K HN 0.131 nan 8.250 nan 0.000 0.439 114 R N 0.798 121.392 120.500 0.158 0.000 2.115 114 R HA -0.124 4.217 4.340 0.002 0.000 0.230 114 R C 2.310 178.608 176.300 -0.004 0.000 1.111 114 R CA 1.113 57.297 56.100 0.141 0.000 0.976 114 R CB -0.116 30.223 30.300 0.065 0.000 0.870 114 R HN 0.371 nan 8.270 nan 0.000 0.445 115 E N -0.030 120.073 120.200 -0.161 0.000 2.047 115 E HA -0.145 4.207 4.350 0.002 0.000 0.191 115 E C 1.118 177.464 176.600 -0.423 0.000 0.987 115 E CA 1.172 57.327 56.400 -0.408 0.000 0.799 115 E CB 0.140 29.381 29.700 -0.765 0.000 0.752 115 E HN 0.184 nan 8.360 nan 0.000 0.449 116 F N 0.019 119.985 119.950 0.027 0.000 2.419 116 F HA 0.156 4.684 4.527 0.002 0.000 0.283 116 F C 2.069 177.889 175.800 0.034 0.000 1.044 116 F CA 0.031 58.041 58.000 0.018 0.000 1.376 116 F CB -0.565 38.437 39.000 0.004 0.000 1.131 116 F HN -0.052 nan 8.300 nan 0.000 0.585 117 L N 0.567 121.928 121.223 0.229 0.000 2.034 117 L HA -0.226 4.115 4.340 0.002 0.000 0.217 117 L C -0.494 176.466 176.870 0.149 0.000 1.077 117 L CA 1.920 56.858 54.840 0.163 0.000 0.769 117 L CB -1.995 40.145 42.059 0.136 0.000 0.890 117 L HN 0.111 nan 8.230 nan 0.000 0.435 118 P HA -0.137 nan 4.420 nan 0.000 0.217 118 P C 1.330 178.683 177.300 0.087 0.000 1.151 118 P CA 1.298 64.460 63.100 0.103 0.000 0.828 118 P CB 0.043 31.789 31.700 0.077 0.000 0.788 119 K N -0.711 119.745 120.400 0.093 0.000 2.148 119 K HA -0.015 4.306 4.320 0.002 0.000 0.204 119 K C 1.987 178.648 176.600 0.100 0.000 1.050 119 K CA 0.973 57.309 56.287 0.082 0.000 0.942 119 K CB -0.537 32.010 32.500 0.077 0.000 0.724 119 K HN 0.170 nan 8.250 nan 0.000 0.446 120 L N 0.354 121.650 121.223 0.121 0.000 2.072 120 L HA -0.084 4.257 4.340 0.002 0.000 0.205 120 L C 2.548 179.491 176.870 0.121 0.000 1.079 120 L CA 0.861 55.772 54.840 0.119 0.000 0.752 120 L CB -0.498 41.624 42.059 0.104 0.000 0.906 120 L HN 0.156 nan 8.230 nan 0.000 0.436 121 A N 0.202 123.085 122.820 0.105 0.000 1.972 121 A HA -0.143 4.179 4.320 0.002 0.000 0.219 121 A C 2.085 179.734 177.584 0.108 0.000 1.169 121 A CA 1.215 53.312 52.037 0.099 0.000 0.635 121 A CB -0.358 18.690 19.000 0.080 0.000 0.810 121 A HN 0.370 nan 8.150 nan 0.000 0.446 122 R N -1.032 119.528 120.500 0.099 0.000 2.426 122 R HA 0.254 4.595 4.340 0.002 0.000 0.263 122 R C 1.037 177.402 176.300 0.108 0.000 0.961 122 R CA 0.359 56.511 56.100 0.086 0.000 1.086 122 R CB -0.166 30.169 30.300 0.059 0.000 1.186 122 R HN 0.544 nan 8.270 nan 0.000 0.537 123 G N 2.134 111.029 108.800 0.159 0.000 2.296 123 G HA2 -0.361 3.601 3.960 0.002 0.000 0.282 123 G HA3 -0.361 3.601 3.960 0.002 0.000 0.282 123 G C 0.599 175.592 174.900 0.155 0.000 1.014 123 G CA 1.048 46.272 45.100 0.206 0.000 0.812 123 G HN 0.576 nan 8.290 nan 0.000 0.508 124 E N -1.249 119.017 120.200 0.111 0.000 2.318 124 E HA 0.295 4.646 4.350 0.002 0.000 0.193 124 E C 1.144 177.754 176.600 0.017 0.000 0.998 124 E CA 0.111 56.548 56.400 0.063 0.000 0.859 124 E CB 0.079 29.801 29.700 0.037 0.000 0.812 124 E HN 0.565 nan 8.360 nan 0.000 0.492 125 M N 1.893 121.523 119.600 0.050 0.000 2.149 125 M HA 0.223 4.704 4.480 0.002 0.000 0.273 125 M C -1.668 174.767 176.300 0.225 0.000 0.972 125 M CA -0.590 54.683 55.300 -0.044 0.000 0.984 125 M CB 1.994 34.521 32.600 -0.122 0.000 1.699 125 M HN -0.079 nan 8.290 nan 0.000 0.462 126 V N 5.191 125.390 119.914 0.474 0.000 2.607 126 V HA 0.966 5.087 4.120 0.002 0.000 0.289 126 V C 0.035 176.247 176.094 0.197 0.000 1.053 126 V CA 0.330 62.818 62.300 0.313 0.000 0.996 126 V CB 1.372 33.395 31.823 0.334 0.000 0.995 126 V HN 0.958 nan 8.190 nan 0.000 0.476 127 G N 4.072 112.906 108.800 0.057 0.000 2.685 127 G HA2 0.734 4.695 3.960 0.002 0.000 0.298 127 G HA3 0.734 4.695 3.960 0.002 0.000 0.298 127 G C -0.720 174.180 174.900 0.000 0.000 1.277 127 G CA -0.185 44.923 45.100 0.013 0.000 0.986 127 G HN 1.658 nan 8.290 nan 0.000 0.487 128 C N -1.948 117.375 119.300 0.039 0.000 3.086 128 C HA 0.809 5.270 4.460 0.002 0.000 0.311 128 C C -1.159 173.944 174.990 0.188 0.000 1.260 128 C CA -1.421 57.655 59.018 0.096 0.000 1.426 128 C CB 0.779 28.574 27.740 0.093 0.000 1.826 128 C HN 0.693 nan 8.230 nan 0.000 0.474 129 F N 2.268 122.259 119.950 0.069 0.000 2.361 129 F HA 0.647 5.176 4.527 0.002 0.000 0.364 129 F C 0.514 176.416 175.800 0.171 0.000 1.117 129 F CA -0.047 58.041 58.000 0.145 0.000 1.071 129 F CB 1.131 40.225 39.000 0.156 0.000 1.188 129 F HN 1.055 nan 8.300 nan 0.000 0.464 130 G N 7.011 115.819 108.800 0.013 0.000 2.800 130 G HA2 0.406 4.368 3.960 0.002 0.000 0.340 130 G HA3 0.406 4.368 3.960 0.002 0.000 0.340 130 G C -0.303 174.627 174.900 0.051 0.000 1.089 130 G CA -0.261 44.873 45.100 0.057 0.000 1.144 130 G HN 0.744 nan 8.290 nan 0.000 0.461 131 L N 2.176 123.465 121.223 0.109 0.000 2.519 131 L HA 0.392 4.733 4.340 0.002 0.000 0.194 131 L C 1.437 178.381 176.870 0.122 0.000 1.072 131 L CA 0.909 55.812 54.840 0.105 0.000 0.845 131 L CB -0.088 42.048 42.059 0.128 0.000 1.138 131 L HN 0.257 nan 8.230 nan 0.000 0.487 132 T N 1.937 116.595 114.554 0.173 0.000 2.928 132 T HA 0.180 4.531 4.350 0.002 0.000 0.305 132 T C -0.154 174.617 174.700 0.118 0.000 1.035 132 T CA 0.211 62.408 62.100 0.162 0.000 1.145 132 T CB 0.278 69.289 68.868 0.238 0.000 0.963 132 T HN 0.247 nan 8.240 nan 0.000 0.545 133 E N 2.815 123.068 120.200 0.088 0.000 2.359 133 E HA 0.258 4.610 4.350 0.002 0.000 0.266 133 E C -1.766 174.866 176.600 0.054 0.000 0.920 133 E CA -2.426 53.997 56.400 0.038 0.000 0.788 133 E CB 1.590 31.296 29.700 0.010 0.000 1.279 133 E HN 0.211 nan 8.360 nan 0.000 0.438 134 P HA -0.187 nan 4.420 nan 0.000 0.217 134 P C 0.184 177.517 177.300 0.054 0.000 1.148 134 P CA 1.249 64.362 63.100 0.022 0.000 0.834 134 P CB 0.206 31.889 31.700 -0.028 0.000 0.783 135 D N -1.446 118.977 120.400 0.038 0.000 2.363 135 D HA 0.198 4.839 4.640 0.002 0.000 0.220 135 D C 0.895 177.229 176.300 0.057 0.000 0.994 135 D CA 0.921 54.944 54.000 0.039 0.000 0.890 135 D CB -0.248 40.562 40.800 0.018 0.000 0.906 135 D HN 0.129 nan 8.370 nan 0.000 0.530 136 G N -0.917 107.932 108.800 0.082 0.000 3.313 136 G HA2 0.089 4.050 3.960 0.002 0.000 0.659 136 G HA3 0.089 4.050 3.960 0.002 0.000 0.659 136 G C 0.798 175.746 174.900 0.080 0.000 1.286 136 G CA -0.409 44.745 45.100 0.090 0.000 1.077 136 G HN 0.124 nan 8.290 nan 0.000 0.551 137 G N 0.460 109.322 108.800 0.103 0.000 2.559 137 G HA2 0.130 4.091 3.960 0.002 0.000 0.216 137 G HA3 0.130 4.091 3.960 0.002 0.000 0.216 137 G C 1.762 176.693 174.900 0.053 0.000 1.126 137 G CA 1.726 46.880 45.100 0.090 0.000 0.778 137 G HN 1.042 nan 8.290 nan 0.000 0.543 138 S N -0.109 115.616 115.700 0.041 0.000 2.453 138 S HA -0.024 4.447 4.470 0.002 0.000 0.231 138 S C 0.795 175.415 174.600 0.032 0.000 1.005 138 S CA 0.441 58.658 58.200 0.029 0.000 0.949 138 S CB 0.087 63.306 63.200 0.031 0.000 0.774 138 S HN 0.386 nan 8.310 nan 0.000 0.510 139 D N 1.435 121.855 120.400 0.034 0.000 2.493 139 D HA 0.224 4.865 4.640 0.002 0.000 0.235 139 D C -1.451 174.863 176.300 0.024 0.000 1.117 139 D CA -2.435 51.581 54.000 0.025 0.000 0.930 139 D CB 1.126 41.948 40.800 0.037 0.000 1.010 139 D HN 0.067 nan 8.370 nan 0.000 0.514 140 P HA -0.213 nan 4.420 nan 0.000 0.215 140 P C 1.300 178.625 177.300 0.042 0.000 1.157 140 P CA 0.992 64.102 63.100 0.016 0.000 0.868 140 P CB 0.199 31.887 31.700 -0.019 0.000 0.788 141 Y N 0.992 121.252 120.300 -0.068 0.000 2.269 141 Y HA 0.180 4.732 4.550 0.002 0.000 0.294 141 Y C 2.699 178.581 175.900 -0.030 0.000 1.120 141 Y CA 1.799 59.866 58.100 -0.054 0.000 1.159 141 Y CB -0.958 37.458 38.460 -0.073 0.000 1.024 141 Y HN -0.114 nan 8.280 nan 0.000 0.532 142 G N 0.115 108.943 108.800 0.047 0.000 2.432 142 G HA2 -0.254 3.708 3.960 0.002 0.000 0.219 142 G HA3 -0.254 3.708 3.960 0.002 0.000 0.219 142 G C 1.267 176.120 174.900 -0.078 0.000 1.135 142 G CA 1.023 46.110 45.100 -0.022 0.000 0.767 142 G HN 0.370 nan 8.290 nan 0.000 0.550 143 N N -0.162 118.506 118.700 -0.052 0.000 2.230 143 N HA 0.128 4.870 4.740 0.002 0.000 0.202 143 N C 0.558 176.034 175.510 -0.057 0.000 1.119 143 N CA -0.177 52.848 53.050 -0.041 0.000 0.851 143 N CB 0.277 38.763 38.487 -0.001 0.000 0.990 143 N HN 0.275 nan 8.380 nan 0.000 0.497 144 M N 1.426 120.963 119.600 -0.104 0.000 2.618 144 M HA 0.070 4.551 4.480 0.002 0.000 0.322 144 M C 0.115 176.354 176.300 -0.102 0.000 1.471 144 M CA 0.304 55.550 55.300 -0.090 0.000 1.450 144 M CB -0.015 32.520 32.600 -0.108 0.000 1.444 144 M HN -0.176 nan 8.290 nan 0.000 0.471 145 K N 1.456 121.817 120.400 -0.065 0.000 2.404 145 K HA 0.127 4.448 4.320 0.002 0.000 0.194 145 K C 0.025 176.598 176.600 -0.046 0.000 1.023 145 K CA 0.103 56.355 56.287 -0.059 0.000 1.094 145 K CB 0.310 32.781 32.500 -0.047 0.000 0.841 145 K HN 0.506 nan 8.250 nan 0.000 0.523 146 T N 2.342 116.873 114.554 -0.039 0.000 2.779 146 T HA 0.170 4.522 4.350 0.002 0.000 0.296 146 T C 0.222 174.906 174.700 -0.027 0.000 0.938 146 T CA -0.203 61.876 62.100 -0.036 0.000 1.119 146 T CB 0.652 69.503 68.868 -0.029 0.000 0.891 146 T HN -0.002 nan 8.240 nan 0.000 0.526 147 R N 1.533 122.016 120.500 -0.029 0.000 2.674 147 R HA 0.816 5.158 4.340 0.002 0.000 0.266 147 R C -0.580 175.710 176.300 -0.017 0.000 1.016 147 R CA -0.895 55.202 56.100 -0.004 0.000 1.062 147 R CB 1.629 31.933 30.300 0.007 0.000 1.142 147 R HN 0.673 nan 8.270 nan 0.000 0.517 148 A N 2.048 124.902 122.820 0.056 0.000 2.442 148 A HA 0.523 4.845 4.320 0.002 0.000 0.284 148 A C -0.799 177.017 177.584 0.387 0.000 1.058 148 A CA -0.726 51.373 52.037 0.103 0.000 0.738 148 A CB 1.105 20.076 19.000 -0.049 0.000 1.242 148 A HN 0.585 nan 8.150 nan 0.000 0.421 149 R N 1.423 122.136 120.500 0.354 0.000 2.437 149 R HA 0.549 4.891 4.340 0.002 0.000 0.310 149 R C 0.080 176.410 176.300 0.051 0.000 0.955 149 R CA -0.774 55.465 56.100 0.232 0.000 0.851 149 R CB 2.393 32.742 30.300 0.082 0.000 1.161 149 R HN 0.855 nan 8.270 nan 0.000 0.446 154 T N -3.063 111.400 114.554 -0.151 0.000 2.896 154 T HA 0.731 5.082 4.350 0.002 0.000 0.297 154 T C -0.912 173.703 174.700 -0.141 0.000 1.108 154 T CA -0.670 61.412 62.100 -0.031 0.000 1.004 154 T CB 1.847 70.722 68.868 0.012 0.000 1.159 154 T HN -0.034 nan 8.240 nan 0.000 0.499 155 W N 0.452 121.747 121.300 -0.007 0.000 2.639 155 W HA 0.668 5.330 4.660 0.002 0.000 0.347 155 W C -0.623 175.827 176.519 -0.114 0.000 1.067 155 W CA -0.887 56.426 57.345 -0.053 0.000 1.218 155 W CB 1.933 31.343 29.460 -0.083 0.000 1.393 155 W HN 0.649 nan 8.180 nan 0.000 0.557 156 V N 4.636 124.642 119.914 0.154 0.000 2.409 156 V HA 0.548 4.670 4.120 0.002 0.000 0.290 156 V C -1.269 174.820 176.094 -0.008 0.000 1.017 156 V CA -0.866 61.456 62.300 0.037 0.000 0.841 156 V CB 0.515 32.347 31.823 0.014 0.000 1.003 156 V HN 0.432 nan 8.190 nan 0.000 0.426 157 L N 6.602 127.770 121.223 -0.093 0.000 2.334 157 L HA 0.651 4.992 4.340 0.002 0.000 0.277 157 L C 0.237 177.058 176.870 -0.082 0.000 1.075 157 L CA 0.282 55.030 54.840 -0.153 0.000 0.804 157 L CB 1.125 43.034 42.059 -0.250 0.000 1.174 157 L HN 0.662 nan 8.230 nan 0.000 0.438 158 N N 1.702 120.356 118.700 -0.077 0.000 2.578 158 N HA 0.700 5.442 4.740 0.002 0.000 0.282 158 N C -0.639 174.833 175.510 -0.064 0.000 1.119 158 N CA -0.069 52.945 53.050 -0.060 0.000 0.948 158 N CB 2.319 40.782 38.487 -0.041 0.000 1.546 158 N HN 0.768 nan 8.380 nan 0.000 0.525 159 G N 0.059 108.814 108.800 -0.076 0.000 2.321 159 G HA2 0.412 4.373 3.960 0.002 0.000 0.296 159 G HA3 0.412 4.373 3.960 0.002 0.000 0.296 159 G C -1.710 173.131 174.900 -0.098 0.000 1.287 159 G CA -0.365 44.690 45.100 -0.075 0.000 0.846 159 G HN 0.274 nan 8.290 nan 0.000 0.508 160 T N 0.823 115.323 114.554 -0.090 0.000 2.909 160 T HA 0.685 5.037 4.350 0.002 0.000 0.299 160 T C -1.078 173.568 174.700 -0.090 0.000 1.073 160 T CA -0.732 61.300 62.100 -0.113 0.000 0.999 160 T CB 1.971 70.773 68.868 -0.110 0.000 1.098 160 T HN 0.442 nan 8.240 nan 0.000 0.477 161 K N 2.321 122.656 120.400 -0.108 0.000 2.316 161 K HA 0.622 4.943 4.320 0.002 0.000 0.251 161 K C -0.930 175.608 176.600 -0.103 0.000 0.934 161 K CA -0.853 55.396 56.287 -0.063 0.000 0.802 161 K CB 2.172 34.653 32.500 -0.032 0.000 1.171 161 K HN 0.418 nan 8.250 nan 0.000 0.426 162 M N 1.144 120.696 119.600 -0.080 0.000 2.465 162 M HA 0.259 4.741 4.480 0.002 0.000 0.316 162 M C -0.900 175.359 176.300 -0.068 0.000 1.121 162 M CA -0.323 54.823 55.300 -0.256 0.000 0.934 162 M CB 1.096 33.447 32.600 -0.414 0.000 1.692 162 M HN 0.689 nan 8.290 nan 0.000 0.444 163 W N 2.852 124.184 121.300 0.053 0.000 4.543 163 W HA -0.180 4.481 4.660 0.002 0.000 0.375 163 W C -0.608 175.972 176.519 0.102 0.000 1.434 163 W CA -0.392 57.002 57.345 0.081 0.000 0.818 163 W CB -1.809 27.712 29.460 0.102 0.000 2.575 163 W HN 0.324 nan 8.180 nan 0.000 1.345 164 I N 1.052 121.743 120.570 0.203 0.000 2.301 164 I HA 0.150 4.321 4.170 0.002 0.000 0.292 164 I C 1.318 177.535 176.117 0.166 0.000 1.046 164 I CA -0.398 61.015 61.300 0.187 0.000 1.282 164 I CB -0.003 38.073 38.000 0.127 0.000 1.409 164 I HN -0.130 nan 8.210 nan 0.000 0.484 165 T N 6.887 121.545 114.554 0.174 0.000 2.940 165 T HA 0.024 4.376 4.350 0.002 0.000 0.309 165 T C 1.016 175.762 174.700 0.077 0.000 1.056 165 T CA 0.216 62.393 62.100 0.128 0.000 1.137 165 T CB 0.054 68.989 68.868 0.113 0.000 0.976 165 T HN 0.603 nan 8.240 nan 0.000 0.547 166 N N 0.448 119.173 118.700 0.042 0.000 2.753 166 N HA -0.177 4.565 4.740 0.002 0.000 0.251 166 N C 1.394 176.928 175.510 0.040 0.000 1.097 166 N CA 1.114 54.178 53.050 0.023 0.000 0.786 166 N CB -1.460 37.029 38.487 0.004 0.000 1.137 166 N HN 0.857 nan 8.380 nan 0.000 0.566 167 G N 0.003 108.838 108.800 0.058 0.000 2.505 167 G HA2 -0.295 3.666 3.960 0.002 0.000 0.220 167 G HA3 -0.295 3.666 3.960 0.002 0.000 0.220 167 G C 1.322 176.254 174.900 0.054 0.000 1.145 167 G CA 1.434 46.572 45.100 0.064 0.000 0.761 167 G HN 0.497 nan 8.290 nan 0.000 0.571 168 N N -0.566 118.153 118.700 0.031 0.000 2.280 168 N HA 0.265 5.007 4.740 0.002 0.000 0.192 168 N C 1.692 177.196 175.510 -0.011 0.000 1.109 168 N CA -0.013 53.048 53.050 0.018 0.000 0.855 168 N CB 0.405 38.902 38.487 0.017 0.000 0.974 168 N HN 0.280 nan 8.380 nan 0.000 0.482 169 L N -0.764 120.448 121.223 -0.018 0.000 2.515 169 L HA 0.410 4.751 4.340 0.002 0.000 0.223 169 L C 0.697 177.469 176.870 -0.163 0.000 1.079 169 L CA -0.215 54.598 54.840 -0.045 0.000 0.857 169 L CB 0.034 42.112 42.059 0.031 0.000 1.050 169 L HN 0.036 nan 8.230 nan 0.000 0.476 170 A N -0.739 122.008 122.820 -0.123 0.000 2.340 170 A HA 0.296 4.618 4.320 0.002 0.000 0.268 170 A C 0.154 177.562 177.584 -0.293 0.000 1.100 170 A CA -0.191 51.745 52.037 -0.169 0.000 0.803 170 A CB 0.142 19.129 19.000 -0.023 0.000 1.043 170 A HN 0.323 nan 8.150 nan 0.000 0.488 171 H N 0.533 119.592 119.070 -0.019 0.000 2.639 171 H HA 0.353 4.910 4.556 0.002 0.000 0.267 171 H C -0.323 174.920 175.328 -0.141 0.000 0.958 171 H CA 0.128 56.141 56.048 -0.058 0.000 1.221 171 H CB 0.230 29.980 29.762 -0.020 0.000 1.446 171 H HN 0.378 nan 8.280 nan 0.000 0.512 172 L N 0.967 122.188 121.223 -0.003 0.000 2.362 172 L HA 0.743 5.084 4.340 0.002 0.000 0.275 172 L C -1.054 175.741 176.870 -0.125 0.000 0.998 172 L CA -0.892 53.860 54.840 -0.148 0.000 0.820 172 L CB 1.564 43.478 42.059 -0.241 0.000 1.270 172 L HN 0.071 nan 8.230 nan 0.000 0.415 173 A N 4.806 127.524 122.820 -0.171 0.000 2.340 173 A HA 0.634 4.955 4.320 0.002 0.000 0.297 173 A C -1.052 176.453 177.584 -0.132 0.000 1.195 173 A CA -0.544 51.447 52.037 -0.078 0.000 0.769 173 A CB 0.990 20.006 19.000 0.027 0.000 1.163 173 A HN 0.427 nan 8.150 nan 0.000 0.472 174 V N 4.320 124.153 119.914 -0.135 0.000 2.381 174 V HA 0.115 4.236 4.120 0.002 0.000 0.257 174 V C -0.085 175.733 176.094 -0.460 0.000 1.057 174 V CA 0.289 62.407 62.300 -0.304 0.000 1.013 174 V CB -0.456 31.256 31.823 -0.185 0.000 1.069 174 V HN 0.675 nan 8.190 nan 0.000 0.484 175 I N 4.734 125.037 120.570 -0.444 0.000 2.437 175 I HA 0.475 4.647 4.170 0.002 0.000 0.298 175 I C -0.397 175.381 176.117 -0.564 0.000 0.984 175 I CA -0.445 60.645 61.300 -0.351 0.000 1.214 175 I CB 1.582 39.524 38.000 -0.096 0.000 1.365 175 I HN 0.525 nan 8.210 nan 0.000 0.469 176 W N 6.125 127.369 121.300 -0.094 0.000 2.471 176 W HA 0.789 5.450 4.660 0.002 0.000 0.318 176 W C -0.149 176.356 176.519 -0.022 0.000 1.034 176 W CA -0.410 56.890 57.345 -0.076 0.000 1.224 176 W CB 1.417 30.776 29.460 -0.168 0.000 1.335 176 W HN 0.594 nan 8.180 nan 0.000 0.452 177 A N 2.692 125.649 122.820 0.228 0.000 2.524 177 A HA 0.889 5.211 4.320 0.002 0.000 0.286 177 A C -1.016 176.647 177.584 0.132 0.000 1.203 177 A CA -1.096 51.019 52.037 0.130 0.000 0.736 177 A CB 1.807 20.838 19.000 0.051 0.000 1.322 177 A HN 0.541 nan 8.150 nan 0.000 0.424 178 K N -0.058 120.385 120.400 0.071 0.000 2.295 178 K HA 0.543 4.864 4.320 0.002 0.000 0.239 178 K C -1.354 175.305 176.600 0.099 0.000 0.991 178 K CA -0.685 55.643 56.287 0.068 0.000 0.845 178 K CB 1.584 34.080 32.500 -0.008 0.000 1.197 178 K HN 0.855 nan 8.250 nan 0.000 0.441 184 V N 5.291 125.293 119.914 0.147 0.000 2.488 184 V HA 0.479 4.600 4.120 0.002 0.000 0.277 184 V C 0.208 176.345 176.094 0.072 0.000 1.046 184 V CA -0.159 62.221 62.300 0.132 0.000 0.986 184 V CB 0.405 32.312 31.823 0.140 0.000 0.989 184 V HN 0.623 nan 8.190 nan 0.000 0.475 185 L N 3.555 124.807 121.223 0.048 0.000 2.333 185 L HA 0.885 5.226 4.340 0.002 0.000 0.263 185 L C 0.366 177.049 176.870 -0.313 0.000 1.014 185 L CA -0.618 54.094 54.840 -0.214 0.000 0.820 185 L CB 2.383 44.143 42.059 -0.499 0.000 1.352 185 L HN 0.729 nan 8.230 nan 0.000 0.421 186 G N 0.804 109.144 108.800 -0.767 0.000 2.544 186 G HA2 0.699 4.660 3.960 0.002 0.000 0.313 186 G HA3 0.699 4.660 3.960 0.002 0.000 0.313 186 G C -1.472 172.715 174.900 -1.189 0.000 1.316 186 G CA -0.190 44.169 45.100 -1.235 0.000 0.944 186 G HN 0.209 nan 8.290 nan 0.000 0.489 187 F N 0.926 120.459 119.950 -0.693 0.000 2.522 187 F HA 0.492 5.020 4.527 0.002 0.000 0.324 187 F C 0.358 175.906 175.800 -0.420 0.000 1.077 187 F CA -1.089 56.626 58.000 -0.474 0.000 0.944 187 F CB 2.280 41.040 39.000 -0.401 0.000 1.175 187 F HN 0.118 nan 8.300 nan 0.000 0.468 188 L N 4.001 125.143 121.223 -0.135 0.000 2.352 188 L HA 0.379 4.720 4.340 0.002 0.000 0.272 188 L C -0.797 175.974 176.870 -0.166 0.000 1.109 188 L CA -0.609 54.105 54.840 -0.210 0.000 0.952 188 L CB 0.197 42.116 42.059 -0.234 0.000 1.314 188 L HN 0.334 nan 8.230 nan 0.000 0.427 189 V N 4.130 123.932 119.914 -0.187 0.000 2.389 189 V HA 0.222 4.343 4.120 0.002 0.000 0.264 189 V C -1.937 173.944 176.094 -0.355 0.000 1.049 189 V CA -1.584 60.579 62.300 -0.227 0.000 0.932 189 V CB 0.886 32.582 31.823 -0.213 0.000 1.011 189 V HN 0.460 nan 8.190 nan 0.000 0.475 190 P HA 0.094 nan 4.420 nan 0.000 0.269 190 P C 1.085 178.073 177.300 -0.519 0.000 1.209 190 P CA 0.045 62.981 63.100 -0.272 0.000 0.776 190 P CB 0.555 32.178 31.700 -0.128 0.000 0.876 191 T N -2.495 111.772 114.554 -0.477 0.000 3.113 191 T HA -0.071 4.280 4.350 0.002 0.000 0.256 191 T C 0.796 175.323 174.700 -0.288 0.000 1.131 191 T CA 0.759 62.452 62.100 -0.678 0.000 1.074 191 T CB -0.577 68.121 68.868 -0.284 0.000 0.944 191 T HN 0.385 nan 8.240 nan 0.000 0.516 192 D N 1.273 121.576 120.400 -0.162 0.000 2.369 192 D HA 0.029 4.670 4.640 0.002 0.000 0.211 192 D C 0.950 177.231 176.300 -0.031 0.000 1.077 192 D CA -0.047 53.927 54.000 -0.043 0.000 0.842 192 D CB -0.705 40.092 40.800 -0.005 0.000 0.947 192 D HN 0.434 nan 8.370 nan 0.000 0.509 193 T N 1.061 115.566 114.554 -0.083 0.000 2.902 193 T HA 0.199 4.550 4.350 0.002 0.000 0.301 193 T C -2.158 172.557 174.700 0.025 0.000 1.012 193 T CA -1.316 60.763 62.100 -0.034 0.000 1.151 193 T CB 0.684 69.516 68.868 -0.060 0.000 0.946 193 T HN -0.088 nan 8.240 nan 0.000 0.542 194 P HA 0.188 nan 4.420 nan 0.000 0.265 194 P C 1.061 178.400 177.300 0.065 0.000 1.187 194 P CA 0.984 64.112 63.100 0.046 0.000 0.766 194 P CB 0.159 31.875 31.700 0.026 0.000 0.820 195 G N 1.372 110.213 108.800 0.068 0.000 2.175 195 G HA2 -0.259 3.702 3.960 0.002 0.000 0.244 195 G HA3 -0.259 3.702 3.960 0.002 0.000 0.244 195 G C -0.296 174.659 174.900 0.091 0.000 0.982 195 G CA -0.227 44.907 45.100 0.056 0.000 0.641 195 G HN 0.554 nan 8.290 nan 0.000 0.527 196 F N 2.515 122.443 119.950 -0.038 0.000 2.388 196 F HA 0.703 5.231 4.527 0.002 0.000 0.358 196 F C -0.098 175.679 175.800 -0.038 0.000 1.122 196 F CA -0.799 57.174 58.000 -0.044 0.000 1.056 196 F CB 1.176 40.148 39.000 -0.046 0.000 1.155 196 F HN 0.019 nan 8.300 nan 0.000 0.461 197 Q N 4.988 124.632 119.800 -0.260 0.000 2.353 197 Q HA 0.669 5.010 4.340 0.002 0.000 0.268 197 Q C -1.247 174.582 176.000 -0.285 0.000 1.045 197 Q CA -0.948 54.762 55.803 -0.155 0.000 0.811 197 Q CB 2.159 30.827 28.738 -0.117 0.000 1.305 197 Q HN 0.749 nan 8.270 nan 0.000 0.447 198 A N 3.070 125.825 122.820 -0.108 0.000 2.311 198 A HA 0.713 5.035 4.320 0.002 0.000 0.306 198 A C -0.584 176.965 177.584 -0.059 0.000 1.189 198 A CA -0.678 51.304 52.037 -0.092 0.000 0.791 198 A CB 0.886 19.906 19.000 0.034 0.000 1.172 198 A HN 0.595 nan 8.150 nan 0.000 0.481 199 R N 2.307 122.757 120.500 -0.084 0.000 2.534 199 R HA 0.377 4.719 4.340 0.002 0.000 0.301 199 R C -0.805 175.459 176.300 -0.060 0.000 0.961 199 R CA -0.605 55.456 56.100 -0.065 0.000 0.871 199 R CB 2.260 32.512 30.300 -0.079 0.000 1.170 199 R HN 0.814 nan 8.270 nan 0.000 0.446 200 E N 1.401 121.582 120.200 -0.032 0.000 2.383 200 E HA 0.104 4.456 4.350 0.002 0.000 0.264 200 E C -0.354 176.229 176.600 -0.027 0.000 1.050 200 E CA -0.268 56.123 56.400 -0.015 0.000 0.896 200 E CB 1.155 30.859 29.700 0.006 0.000 0.982 200 E HN 0.150 nan 8.360 nan 0.000 0.424 201 V N 4.016 123.926 119.914 -0.007 0.000 2.432 201 V HA 0.128 4.249 4.120 0.002 0.000 0.275 201 V C 0.274 176.393 176.094 0.042 0.000 1.043 201 V CA -0.368 61.931 62.300 -0.001 0.000 0.925 201 V CB 0.835 32.688 31.823 0.049 0.000 0.985 201 V HN 0.515 nan 8.190 nan 0.000 0.466 202 K N 3.835 124.253 120.400 0.031 0.000 2.211 202 K HA 0.612 4.933 4.320 0.002 0.000 0.237 202 K C 0.209 176.839 176.600 0.051 0.000 1.002 202 K CA -0.923 55.383 56.287 0.032 0.000 0.885 202 K CB 0.760 33.269 32.500 0.014 0.000 1.136 202 K HN 0.468 nan 8.250 nan 0.000 0.448 203 R N -0.431 120.088 120.500 0.032 0.000 3.423 203 R HA -0.163 4.178 4.340 0.002 0.000 0.271 203 R C -0.824 175.502 176.300 0.043 0.000 1.093 203 R CA 0.515 56.636 56.100 0.034 0.000 0.730 203 R CB -2.484 27.844 30.300 0.046 0.000 1.190 203 R HN 0.587 nan 8.270 nan 0.000 0.437 204 K N 0.533 120.944 120.400 0.018 0.000 2.227 204 K HA 0.313 4.634 4.320 0.002 0.000 0.280 204 K C 1.154 177.715 176.600 -0.064 0.000 1.041 204 K CA -0.384 55.908 56.287 0.008 0.000 0.905 204 K CB 0.601 33.103 32.500 0.004 0.000 1.068 204 K HN -0.090 nan 8.250 nan 0.000 0.470 205 M N 1.265 120.856 119.600 -0.015 0.000 2.404 205 M HA 0.124 4.605 4.480 0.002 0.000 0.271 205 M C -0.201 176.157 176.300 0.097 0.000 1.128 205 M CA 0.280 55.589 55.300 0.015 0.000 0.982 205 M CB -0.048 32.598 32.600 0.077 0.000 1.445 205 M HN 0.395 nan 8.290 nan 0.000 0.495 206 S N -0.050 115.674 115.700 0.039 0.000 2.536 206 S HA 0.559 5.030 4.470 0.002 0.000 0.271 206 S C -0.173 174.472 174.600 0.075 0.000 1.134 206 S CA -0.502 57.787 58.200 0.148 0.000 0.897 206 S CB 0.961 64.217 63.200 0.093 0.000 1.094 206 S HN 0.293 nan 8.310 nan 0.000 0.473 207 L N 3.304 124.652 121.223 0.208 0.000 3.660 207 L HA -0.170 4.171 4.340 0.002 0.000 0.440 207 L C 1.190 178.067 176.870 0.011 0.000 1.262 207 L CA 0.938 55.885 54.840 0.177 0.000 0.837 207 L CB -0.829 41.315 42.059 0.141 0.000 1.689 207 L HN 0.853 nan 8.230 nan 0.000 0.890 208 R N 0.100 120.398 120.500 -0.337 0.000 2.092 208 R HA 0.113 4.455 4.340 0.002 0.000 0.231 208 R C 1.349 177.552 176.300 -0.162 0.000 1.119 208 R CA 1.115 56.922 56.100 -0.487 0.000 0.970 208 R CB -0.069 29.515 30.300 -1.192 0.000 0.864 208 R HN 0.648 nan 8.270 nan 0.000 0.440 209 A N 1.424 124.250 122.820 0.009 0.000 3.048 209 A HA 0.232 4.553 4.320 0.002 0.000 0.264 209 A C -0.274 177.543 177.584 0.389 0.000 1.796 209 A CA 0.232 52.408 52.037 0.232 0.000 1.445 209 A CB -0.106 19.120 19.000 0.377 0.000 1.074 209 A HN 0.151 nan 8.150 nan 0.000 0.621 210 S N -0.199 115.700 115.700 0.331 0.000 2.678 210 S HA 0.342 4.814 4.470 0.002 0.000 0.290 210 S C -1.123 173.579 174.600 0.170 0.000 1.047 210 S CA 0.075 58.471 58.200 0.325 0.000 0.851 210 S CB 0.749 64.115 63.200 0.277 0.000 1.058 210 S HN 1.616 nan 8.310 nan 0.000 0.451 211 V N 2.624 122.590 119.914 0.086 0.000 2.394 211 V HA 0.918 5.039 4.120 0.002 0.000 0.282 211 V C -0.522 175.625 176.094 0.089 0.000 1.031 211 V CA 0.176 62.522 62.300 0.076 0.000 0.881 211 V CB 1.103 32.955 31.823 0.048 0.000 0.982 211 V HN 0.906 nan 8.190 nan 0.000 0.451 212 T N 5.315 119.936 114.554 0.112 0.000 2.812 212 T HA 0.686 5.037 4.350 0.002 0.000 0.282 212 T C -0.233 174.523 174.700 0.093 0.000 0.990 212 T CA -0.397 61.794 62.100 0.153 0.000 0.960 212 T CB 1.522 70.541 68.868 0.252 0.000 0.948 212 T HN 0.909 nan 8.240 nan 0.000 0.438 213 S N 1.673 117.410 115.700 0.062 0.000 2.709 213 S HA 0.606 5.077 4.470 0.002 0.000 0.302 213 S C -0.928 173.624 174.600 -0.082 0.000 1.127 213 S CA -1.073 57.120 58.200 -0.013 0.000 0.905 213 S CB 2.173 65.371 63.200 -0.003 0.000 1.151 213 S HN 0.792 nan 8.310 nan 0.000 0.510 214 E N 1.114 121.233 120.200 -0.136 0.000 2.171 214 E HA 0.499 4.851 4.350 0.002 0.000 0.271 214 E C -1.538 174.949 176.600 -0.187 0.000 0.916 214 E CA -0.520 55.763 56.400 -0.194 0.000 0.774 214 E CB 0.715 30.276 29.700 -0.231 0.000 1.128 214 E HN 0.477 nan 8.360 nan 0.000 0.403 215 L N 4.016 125.114 121.223 -0.208 0.000 2.295 215 L HA 0.509 4.851 4.340 0.002 0.000 0.285 215 L C -0.753 175.911 176.870 -0.343 0.000 1.035 215 L CA -1.099 53.542 54.840 -0.332 0.000 0.806 215 L CB 1.726 43.598 42.059 -0.312 0.000 1.214 215 L HN 0.349 nan 8.230 nan 0.000 0.426 216 V N 4.890 124.545 119.914 -0.431 0.000 2.409 216 V HA 0.355 4.476 4.120 0.002 0.000 0.290 216 V C -0.366 175.510 176.094 -0.363 0.000 1.017 216 V CA -0.387 61.725 62.300 -0.312 0.000 0.841 216 V CB 1.863 33.557 31.823 -0.215 0.000 1.003 216 V HN 0.450 nan 8.190 nan 0.000 0.426 217 L N 4.502 125.567 121.223 -0.264 0.000 2.276 217 L HA 0.526 4.867 4.340 0.002 0.000 0.286 217 L C 0.193 177.008 176.870 -0.091 0.000 1.024 217 L CA 0.214 54.957 54.840 -0.162 0.000 0.826 217 L CB 1.273 43.276 42.059 -0.094 0.000 1.211 217 L HN 0.624 nan 8.230 nan 0.000 0.422 218 E N 2.685 122.849 120.200 -0.059 0.000 2.102 218 E HA 0.232 4.583 4.350 0.002 0.000 0.263 218 E C -0.372 176.217 176.600 -0.018 0.000 0.894 218 E CA -0.456 55.919 56.400 -0.041 0.000 0.746 218 E CB 0.604 30.280 29.700 -0.041 0.000 1.129 218 E HN 0.465 nan 8.360 nan 0.000 0.416 219 E N 1.425 121.612 120.200 -0.021 0.000 2.269 219 E HA -0.169 4.183 4.350 0.002 0.000 0.223 219 E C -1.298 175.301 176.600 -0.002 0.000 1.244 219 E CA 0.299 56.691 56.400 -0.012 0.000 0.713 219 E CB -1.029 28.666 29.700 -0.009 0.000 1.178 219 E HN 0.243 nan 8.360 nan 0.000 0.370 220 V N 2.171 122.085 119.914 -0.000 0.000 2.470 220 V HA 0.146 4.267 4.120 0.002 0.000 0.276 220 V C 1.002 177.091 176.094 -0.008 0.000 1.040 220 V CA 0.104 62.414 62.300 0.018 0.000 1.008 220 V CB 1.029 32.891 31.823 0.066 0.000 0.990 220 V HN 0.156 nan 8.190 nan 0.000 0.477 221 R N 4.273 124.776 120.500 0.005 0.000 2.265 221 R HA 0.599 4.941 4.340 0.002 0.000 0.314 221 R C -1.090 175.222 176.300 0.021 0.000 1.053 221 R CA -0.375 55.735 56.100 0.015 0.000 0.931 221 R CB 1.357 31.667 30.300 0.017 0.000 1.024 221 R HN 0.481 nan 8.270 nan 0.000 0.457 222 V N 4.571 124.522 119.914 0.061 0.000 2.623 222 V HA 0.311 4.432 4.120 0.002 0.000 0.304 222 V C -2.063 174.165 176.094 0.223 0.000 1.054 222 V CA -2.070 60.286 62.300 0.093 0.000 0.882 222 V CB 2.311 34.146 31.823 0.020 0.000 1.002 222 V HN 0.666 nan 8.190 nan 0.000 0.424 223 P HA 0.114 nan 4.420 nan 0.000 0.272 223 P C 0.313 177.808 177.300 0.324 0.000 1.240 223 P CA 0.057 63.278 63.100 0.203 0.000 0.791 223 P CB 1.509 33.283 31.700 0.123 0.000 0.978 224 E N 1.505 121.894 120.200 0.315 0.000 2.268 224 E HA -0.138 4.213 4.350 0.002 0.000 0.195 224 E C 1.697 178.426 176.600 0.215 0.000 0.995 224 E CA 1.585 58.215 56.400 0.382 0.000 0.836 224 E CB -0.874 28.993 29.700 0.279 0.000 0.763 224 E HN 0.406 nan 8.360 nan 0.000 0.491 225 S N -0.777 115.014 115.700 0.152 0.000 2.555 225 S HA -0.047 4.425 4.470 0.002 0.000 0.230 225 S C 1.251 175.916 174.600 0.107 0.000 0.978 225 S CA 0.362 58.623 58.200 0.102 0.000 0.934 225 S CB -0.028 63.218 63.200 0.077 0.000 0.766 225 S HN 0.236 nan 8.310 nan 0.000 0.533 226 L N 0.941 122.243 121.223 0.131 0.000 2.808 226 L HA 0.490 4.832 4.340 0.002 0.000 0.246 226 L C 0.638 177.538 176.870 0.049 0.000 1.153 226 L CA 0.033 54.942 54.840 0.115 0.000 0.956 226 L CB -0.049 42.084 42.059 0.123 0.000 1.270 226 L HN 0.282 nan 8.230 nan 0.000 0.528 227 R N -0.023 120.479 120.500 0.002 0.000 2.428 227 R HA 0.358 4.700 4.340 0.002 0.000 0.294 227 R C -0.773 175.384 176.300 -0.237 0.000 1.000 227 R CA -0.872 55.069 56.100 -0.266 0.000 0.960 227 R CB 0.926 30.993 30.300 -0.388 0.000 1.076 227 R HN -0.133 nan 8.270 nan 0.000 0.475 228 L N 7.994 129.007 121.223 -0.350 0.000 2.485 228 L HA 0.135 4.476 4.340 0.002 0.000 0.279 228 L C -1.328 175.447 176.870 -0.158 0.000 1.124 228 L CA -1.730 52.993 54.840 -0.195 0.000 0.888 228 L CB 0.978 42.922 42.059 -0.192 0.000 1.217 228 L HN 0.672 nan 8.230 nan 0.000 0.464 229 P HA -0.233 nan 4.420 nan 0.000 0.213 229 P C 0.930 178.213 177.300 -0.028 0.000 1.170 229 P CA 1.592 64.668 63.100 -0.040 0.000 0.902 229 P CB 0.387 32.081 31.700 -0.009 0.000 0.789 230 K N -0.247 120.168 120.400 0.025 0.000 2.486 230 K HA 0.161 4.482 4.320 0.002 0.000 0.194 230 K C 1.133 177.709 176.600 -0.039 0.000 1.033 230 K CA 0.289 56.614 56.287 0.064 0.000 1.004 230 K CB -0.566 32.046 32.500 0.188 0.000 0.798 230 K HN 0.110 nan 8.250 nan 0.000 0.495 231 A N 1.430 124.171 122.820 -0.130 0.000 2.545 231 A HA 0.272 4.593 4.320 0.002 0.000 0.297 231 A C -0.887 176.571 177.584 -0.210 0.000 1.340 231 A CA 0.056 51.894 52.037 -0.330 0.000 1.016 231 A CB -0.350 18.554 19.000 -0.161 0.000 1.122 231 A HN 0.065 nan 8.150 nan 0.000 0.537 232 L N 2.302 123.389 121.223 -0.226 0.000 2.404 232 L HA 0.747 5.088 4.340 0.002 0.000 0.272 232 L C 0.553 177.353 176.870 -0.117 0.000 0.980 232 L CA 0.745 55.511 54.840 -0.123 0.000 0.836 232 L CB 0.897 42.906 42.059 -0.083 0.000 1.238 232 L HN 1.325 nan 8.230 nan 0.000 0.408 233 G N 1.819 110.577 108.800 -0.070 0.000 2.746 233 G HA2 -0.194 3.767 3.960 0.002 0.000 0.685 233 G HA3 -0.194 3.767 3.960 0.002 0.000 0.685 233 G C 0.664 175.496 174.900 -0.114 0.000 1.350 233 G CA -0.230 44.826 45.100 -0.073 0.000 0.837 233 G HN 0.639 nan 8.290 nan 0.000 0.564 234 L N 0.479 121.635 121.223 -0.111 0.000 2.127 234 L HA -0.135 4.206 4.340 0.002 0.000 0.211 234 L C 3.103 179.856 176.870 -0.195 0.000 1.089 234 L CA 2.767 57.522 54.840 -0.142 0.000 0.757 234 L CB -0.364 41.613 42.059 -0.137 0.000 0.899 234 L HN 0.888 nan 8.230 nan 0.000 0.434 235 K N -0.441 119.863 120.400 -0.159 0.000 2.152 235 K HA -0.182 4.139 4.320 0.002 0.000 0.206 235 K C 1.879 178.403 176.600 -0.127 0.000 1.048 235 K CA 1.376 57.590 56.287 -0.121 0.000 0.933 235 K CB -0.461 31.992 32.500 -0.080 0.000 0.721 235 K HN 0.285 nan 8.250 nan 0.000 0.447 236 A N 2.842 125.509 122.820 -0.255 0.000 1.841 236 A HA -0.050 4.271 4.320 0.002 0.000 0.214 236 A C -0.054 177.375 177.584 -0.259 0.000 1.195 236 A CA 1.099 52.920 52.037 -0.360 0.000 0.611 236 A CB -1.381 17.267 19.000 -0.587 0.000 0.835 236 A HN 0.379 nan 8.150 nan 0.000 0.443 237 P HA -0.114 nan 4.420 nan 0.000 0.218 237 P C 1.598 178.799 177.300 -0.165 0.000 1.149 237 P CA 0.912 63.578 63.100 -0.723 0.000 0.817 237 P CB -0.191 30.631 31.700 -1.463 0.000 0.785 238 L N 0.595 121.712 121.223 -0.176 0.000 2.046 238 L HA -0.159 4.182 4.340 0.002 0.000 0.208 238 L C 2.915 179.758 176.870 -0.044 0.000 1.077 238 L CA 2.232 57.017 54.840 -0.092 0.000 0.747 238 L CB -1.290 40.711 42.059 -0.098 0.000 0.896 238 L HN 0.124 nan 8.230 nan 0.000 0.432 239 S N -1.234 114.476 115.700 0.017 0.000 2.399 239 S HA -0.205 4.267 4.470 0.002 0.000 0.231 239 S C 2.050 176.597 174.600 -0.089 0.000 1.022 239 S CA 1.259 59.483 58.200 0.040 0.000 0.983 239 S CB -1.058 62.290 63.200 0.246 0.000 0.803 239 S HN 0.437 nan 8.310 nan 0.000 0.480 240 C N 1.355 120.669 119.300 0.024 0.000 2.440 240 C HA 0.192 4.654 4.460 0.002 0.000 0.278 240 C C 2.649 177.501 174.990 -0.231 0.000 1.295 240 C CA 0.345 59.323 59.018 -0.067 0.000 1.738 240 C CB -1.536 26.346 27.740 0.236 0.000 1.987 240 C HN 0.589 nan 8.230 nan 0.000 0.492 241 L N 0.126 121.240 121.223 -0.182 0.000 2.109 241 L HA -0.098 4.244 4.340 0.002 0.000 0.207 241 L C 2.669 179.476 176.870 -0.106 0.000 1.086 241 L CA 1.396 56.129 54.840 -0.178 0.000 0.760 241 L CB -1.168 40.825 42.059 -0.110 0.000 0.910 241 L HN 0.317 nan 8.230 nan 0.000 0.437 242 T N -0.876 113.624 114.554 -0.089 0.000 2.720 242 T HA -0.194 4.157 4.350 0.002 0.000 0.268 242 T C 1.950 176.620 174.700 -0.050 0.000 1.037 242 T CA 1.120 63.190 62.100 -0.050 0.000 1.144 242 T CB -0.109 68.725 68.868 -0.057 0.000 0.864 242 T HN 0.288 nan 8.240 nan 0.000 0.444 243 Q N 0.882 120.579 119.800 -0.171 0.000 2.020 243 Q HA -0.034 4.307 4.340 0.002 0.000 0.202 243 Q C 2.813 178.854 176.000 0.068 0.000 0.982 243 Q CA 1.742 57.458 55.803 -0.145 0.000 0.838 243 Q CB -0.877 27.581 28.738 -0.466 0.000 0.899 243 Q HN 0.577 nan 8.270 nan 0.000 0.423 244 A N 1.391 124.191 122.820 -0.033 0.000 1.908 244 A HA -0.220 4.101 4.320 0.002 0.000 0.218 244 A C 2.169 179.764 177.584 0.018 0.000 1.181 244 A CA 1.656 53.687 52.037 -0.010 0.000 0.627 244 A CB -0.549 18.355 19.000 -0.161 0.000 0.818 244 A HN 0.297 nan 8.150 nan 0.000 0.445 245 R N -1.940 118.567 120.500 0.011 0.000 2.159 245 R HA -0.128 4.213 4.340 0.002 0.000 0.237 245 R C 1.924 178.259 176.300 0.059 0.000 1.131 245 R CA 1.470 57.584 56.100 0.023 0.000 0.982 245 R CB -0.491 29.821 30.300 0.020 0.000 0.868 245 R HN 0.648 nan 8.270 nan 0.000 0.453 246 F N 0.771 120.720 119.950 -0.002 0.000 2.075 246 F HA -0.061 4.467 4.527 0.002 0.000 0.297 246 F C 2.211 178.066 175.800 0.091 0.000 1.113 246 F CA 1.818 59.852 58.000 0.056 0.000 1.218 246 F CB -0.787 38.262 39.000 0.082 0.000 0.984 246 F HN -0.033 nan 8.300 nan 0.000 0.472 247 G N 0.837 109.536 108.800 -0.169 0.000 2.422 247 G HA2 -0.227 3.734 3.960 0.002 0.000 0.218 247 G HA3 -0.227 3.734 3.960 0.002 0.000 0.218 247 G C 1.825 176.597 174.900 -0.214 0.000 1.146 247 G CA 1.181 45.995 45.100 -0.478 0.000 0.769 247 G HN 0.499 nan 8.290 nan 0.000 0.547 248 I N 1.332 121.844 120.570 -0.097 0.000 2.286 248 I HA -0.171 4.000 4.170 0.002 0.000 0.248 248 I C 3.241 179.333 176.117 -0.042 0.000 1.115 248 I CA 0.876 62.163 61.300 -0.020 0.000 1.392 248 I CB -0.171 37.854 38.000 0.042 0.000 1.065 248 I HN 0.245 nan 8.210 nan 0.000 0.418 249 A N -0.019 122.738 122.820 -0.105 0.000 1.972 249 A HA -0.215 4.106 4.320 0.002 0.000 0.219 249 A C 1.939 179.394 177.584 -0.216 0.000 1.169 249 A CA 1.293 53.225 52.037 -0.175 0.000 0.635 249 A CB -0.846 18.009 19.000 -0.242 0.000 0.810 249 A HN 0.532 nan 8.150 nan 0.000 0.446 250 W N -0.474 120.656 121.300 -0.283 0.000 2.441 250 W HA 0.134 4.795 4.660 0.002 0.000 0.302 250 W C 2.580 179.066 176.519 -0.054 0.000 1.191 250 W CA 1.091 58.322 57.345 -0.189 0.000 1.327 250 W CB -0.695 28.563 29.460 -0.336 0.000 1.128 250 W HN 0.331 nan 8.180 nan 0.000 0.522 251 G N 0.285 109.155 108.800 0.117 0.000 2.440 251 G HA2 -0.266 3.696 3.960 0.002 0.000 0.218 251 G HA3 -0.266 3.696 3.960 0.002 0.000 0.218 251 G C 1.653 176.524 174.900 -0.048 0.000 1.154 251 G CA 1.542 46.652 45.100 0.017 0.000 0.767 251 G HN 0.304 nan 8.290 nan 0.000 0.552 252 A N 0.578 123.383 122.820 -0.025 0.000 1.917 252 A HA -0.132 4.190 4.320 0.002 0.000 0.219 252 A C 2.403 179.941 177.584 -0.077 0.000 1.182 252 A CA 2.340 54.351 52.037 -0.044 0.000 0.633 252 A CB -0.367 18.612 19.000 -0.035 0.000 0.819 252 A HN 0.309 nan 8.150 nan 0.000 0.448 253 M N -0.499 119.068 119.600 -0.056 0.000 2.213 253 M HA -0.072 4.410 4.480 0.002 0.000 0.263 253 M C 2.227 178.458 176.300 -0.116 0.000 1.062 253 M CA 1.130 56.432 55.300 0.004 0.000 1.105 253 M CB -1.996 30.646 32.600 0.071 0.000 1.385 253 M HN 0.464 nan 8.290 nan 0.000 0.417 254 G N -0.473 107.972 108.800 -0.592 0.000 2.402 254 G HA2 -0.014 3.947 3.960 0.002 0.000 0.216 254 G HA3 -0.014 3.947 3.960 0.002 0.000 0.216 254 G C 1.627 176.230 174.900 -0.494 0.000 1.162 254 G CA 0.938 45.382 45.100 -1.094 0.000 0.777 254 G HN 0.542 nan 8.290 nan 0.000 0.539 255 A N 0.230 122.838 122.820 -0.352 0.000 2.015 255 A HA 0.185 4.507 4.320 0.002 0.000 0.219 255 A C 2.309 179.667 177.584 -0.376 0.000 1.163 255 A CA 1.119 52.883 52.037 -0.455 0.000 0.646 255 A CB -0.302 18.503 19.000 -0.325 0.000 0.806 255 A HN 0.380 nan 8.150 nan 0.000 0.448 256 L N -0.567 120.546 121.223 -0.183 0.000 2.056 256 L HA -0.169 4.173 4.340 0.002 0.000 0.207 256 L C 2.568 179.415 176.870 -0.039 0.000 1.078 256 L CA 2.019 56.826 54.840 -0.055 0.000 0.749 256 L CB -0.267 41.836 42.059 0.073 0.000 0.901 256 L HN 0.675 nan 8.230 nan 0.000 0.433 257 E N -0.011 120.146 120.200 -0.071 0.000 2.077 257 E HA -0.272 4.079 4.350 0.002 0.000 0.193 257 E C 2.050 178.642 176.600 -0.012 0.000 0.989 257 E CA 1.281 57.633 56.400 -0.079 0.000 0.800 257 E CB -0.105 29.563 29.700 -0.052 0.000 0.746 257 E HN 0.572 nan 8.360 nan 0.000 0.452 258 A N 1.124 123.872 122.820 -0.120 0.000 1.865 258 A HA -0.192 4.130 4.320 0.002 0.000 0.217 258 A C 2.517 180.071 177.584 -0.049 0.000 1.191 258 A CA 2.340 54.307 52.037 -0.116 0.000 0.623 258 A CB -1.195 17.645 19.000 -0.266 0.000 0.826 258 A HN 0.386 nan 8.150 nan 0.000 0.444 259 V N -3.097 116.764 119.914 -0.087 0.000 2.515 259 V HA -0.207 3.915 4.120 0.002 0.000 0.250 259 V C 2.306 178.424 176.094 0.040 0.000 1.058 259 V CA 2.060 64.359 62.300 -0.001 0.000 1.064 259 V CB -1.314 30.496 31.823 -0.022 0.000 0.675 259 V HN 0.570 nan 8.190 nan 0.000 0.461 260 Y N 1.866 122.119 120.300 -0.077 0.000 2.133 260 Y HA -0.079 4.473 4.550 0.002 0.000 0.287 260 Y C 2.547 178.415 175.900 -0.054 0.000 1.134 260 Y CA 2.303 60.357 58.100 -0.076 0.000 1.133 260 Y CB -0.341 38.053 38.460 -0.111 0.000 0.987 260 Y HN 0.322 nan 8.280 nan 0.000 0.502 261 E N 0.727 120.883 120.200 -0.073 0.000 2.085 261 E HA -0.257 4.094 4.350 0.002 0.000 0.194 261 E C 2.207 178.734 176.600 -0.122 0.000 0.994 261 E CA 1.813 58.122 56.400 -0.152 0.000 0.801 261 E CB -0.366 29.336 29.700 0.003 0.000 0.743 261 E HN 0.728 nan 8.360 nan 0.000 0.453 262 E N -0.646 119.540 120.200 -0.024 0.000 2.106 262 E HA -0.164 4.187 4.350 0.002 0.000 0.192 262 E C 1.886 178.512 176.600 0.044 0.000 0.984 262 E CA 0.997 57.432 56.400 0.057 0.000 0.806 262 E CB -0.155 29.625 29.700 0.133 0.000 0.750 262 E HN 0.259 nan 8.360 nan 0.000 0.458 263 A N 1.150 123.942 122.820 -0.047 0.000 1.898 263 A HA -0.126 4.196 4.320 0.002 0.000 0.216 263 A C 2.464 180.018 177.584 -0.051 0.000 1.181 263 A CA 1.619 53.624 52.037 -0.053 0.000 0.620 263 A CB -0.953 17.994 19.000 -0.088 0.000 0.819 263 A HN 0.360 nan 8.150 nan 0.000 0.442 264 V N -2.031 117.758 119.914 -0.208 0.000 2.548 264 V HA 0.012 4.133 4.120 0.002 0.000 0.249 264 V C 2.432 178.474 176.094 -0.086 0.000 1.055 264 V CA 1.926 64.106 62.300 -0.199 0.000 1.065 264 V CB -1.083 30.516 31.823 -0.373 0.000 0.681 264 V HN 0.523 nan 8.190 nan 0.000 0.462 265 A N -0.018 122.774 122.820 -0.047 0.000 1.877 265 A HA -0.127 4.194 4.320 0.002 0.000 0.216 265 A C 2.121 179.745 177.584 0.066 0.000 1.186 265 A CA 2.025 54.068 52.037 0.009 0.000 0.620 265 A CB -0.993 18.030 19.000 0.038 0.000 0.822 265 A HN 0.718 nan 8.150 nan 0.000 0.443 266 F N 0.903 120.838 119.950 -0.024 0.000 2.102 266 F HA -0.052 4.477 4.527 0.002 0.000 0.298 266 F C 2.543 178.311 175.800 -0.052 0.000 1.105 266 F CA 1.274 59.265 58.000 -0.016 0.000 1.239 266 F CB -0.376 38.599 39.000 -0.042 0.000 0.991 266 F HN 0.243 nan 8.300 nan 0.000 0.474 267 A N -0.263 122.613 122.820 0.093 0.000 1.978 267 A HA -0.228 4.093 4.320 0.002 0.000 0.220 267 A C 2.123 179.651 177.584 -0.094 0.000 1.170 267 A CA 1.953 53.983 52.037 -0.011 0.000 0.636 267 A CB -0.637 18.364 19.000 0.001 0.000 0.810 267 A HN 0.429 nan 8.150 nan 0.000 0.448 268 K N -0.059 120.290 120.400 -0.084 0.000 2.305 268 K HA -0.016 4.306 4.320 0.002 0.000 0.199 268 K C 1.960 178.493 176.600 -0.111 0.000 1.047 268 K CA 1.079 57.315 56.287 -0.086 0.000 0.976 268 K CB 0.078 32.539 32.500 -0.065 0.000 0.765 268 K HN 0.627 nan 8.250 nan 0.000 0.474 269 S N -0.746 114.859 115.700 -0.158 0.000 2.535 269 S HA 0.191 4.662 4.470 0.002 0.000 0.214 269 S C 0.660 175.112 174.600 -0.247 0.000 0.980 269 S CA -0.451 57.646 58.200 -0.171 0.000 0.907 269 S CB 0.273 63.388 63.200 -0.142 0.000 0.790 269 S HN -0.036 nan 8.310 nan 0.000 0.510 270 R N 0.951 121.244 120.500 -0.345 0.000 2.732 270 R HA 0.757 5.098 4.340 0.002 0.000 0.278 270 R C -0.818 175.354 176.300 -0.213 0.000 0.976 270 R CA -0.177 55.706 56.100 -0.361 0.000 0.963 270 R CB 1.875 31.788 30.300 -0.644 0.000 1.150 270 R HN 0.176 nan 8.270 nan 0.000 0.478 271 S N 0.001 115.605 115.700 -0.161 0.000 2.632 271 S HA 0.663 5.134 4.470 0.002 0.000 0.289 271 S C -0.558 173.989 174.600 -0.089 0.000 1.115 271 S CA -0.463 57.675 58.200 -0.103 0.000 0.889 271 S CB 1.857 65.003 63.200 -0.090 0.000 1.116 271 S HN 0.647 nan 8.310 nan 0.000 0.486 272 T N 1.284 115.812 114.554 -0.043 0.000 2.639 272 T HA 0.351 4.703 4.350 0.002 0.000 0.156 272 T C -0.575 174.050 174.700 -0.125 0.000 0.817 272 T CA -0.076 61.987 62.100 -0.061 0.000 0.914 272 T CB -0.511 68.421 68.868 0.107 0.000 2.461 272 T HN 0.489 nan 8.240 nan 0.000 0.367 273 F N 2.474 122.405 119.950 -0.033 0.000 2.733 273 F HA 0.480 5.008 4.527 0.002 0.000 0.344 273 F C 1.508 177.291 175.800 -0.028 0.000 1.179 273 F CA -0.288 57.696 58.000 -0.028 0.000 1.316 273 F CB -0.665 38.321 39.000 -0.023 0.000 1.577 273 F HN 0.681 nan 8.300 nan 0.000 0.591 274 G N 0.098 108.925 108.800 0.044 0.000 2.149 274 G HA2 -0.233 3.728 3.960 0.002 0.000 0.235 274 G HA3 -0.233 3.728 3.960 0.002 0.000 0.235 274 G C 0.420 175.333 174.900 0.023 0.000 1.018 274 G CA 0.482 45.596 45.100 0.023 0.000 0.728 274 G HN 0.508 nan 8.290 nan 0.000 0.508 275 E N -1.523 118.692 120.200 0.023 0.000 4.442 275 E HA 0.728 5.079 4.350 0.002 0.000 0.185 275 E C -3.087 173.504 176.600 -0.015 0.000 1.080 275 E CA -1.250 55.153 56.400 0.005 0.000 0.993 275 E CB 0.793 30.501 29.700 0.012 0.000 1.905 275 E HN 0.264 nan 8.360 nan 0.000 0.416 276 P HA 0.271 nan 4.420 nan 0.000 0.305 276 P C -0.158 177.119 177.300 -0.038 0.000 1.296 276 P CA -0.654 62.418 63.100 -0.047 0.000 1.179 276 P CB 1.990 33.659 31.700 -0.052 0.000 1.766 277 L N 0.889 122.075 121.223 -0.061 0.000 2.083 277 L HA -0.087 4.254 4.340 0.002 0.000 0.209 277 L C 2.129 178.982 176.870 -0.028 0.000 1.083 277 L CA 2.145 56.963 54.840 -0.036 0.000 0.752 277 L CB -1.956 40.071 42.059 -0.053 0.000 0.899 277 L HN 0.479 nan 8.230 nan 0.000 0.433 278 A N -1.461 121.333 122.820 -0.043 0.000 2.186 278 A HA -0.235 4.087 4.320 0.002 0.000 0.219 278 A C 2.343 179.907 177.584 -0.034 0.000 1.159 278 A CA 1.555 53.567 52.037 -0.041 0.000 0.680 278 A CB -0.527 18.442 19.000 -0.052 0.000 0.787 278 A HN 0.422 nan 8.150 nan 0.000 0.467 279 K N -0.506 119.878 120.400 -0.027 0.000 2.393 279 K HA 0.031 4.352 4.320 0.002 0.000 0.193 279 K C -0.205 176.384 176.600 -0.019 0.000 1.026 279 K CA -0.020 56.254 56.287 -0.022 0.000 1.064 279 K CB 0.133 32.623 32.500 -0.017 0.000 0.833 279 K HN 0.130 nan 8.250 nan 0.000 0.521 280 K N 1.394 121.784 120.400 -0.016 0.000 2.270 280 K HA 0.038 4.359 4.320 0.002 0.000 0.276 280 K C 0.766 177.349 176.600 -0.028 0.000 1.023 280 K CA 0.170 56.447 56.287 -0.018 0.000 0.955 280 K CB 1.178 33.673 32.500 -0.007 0.000 0.975 280 K HN 0.155 nan 8.250 nan 0.000 0.471 281 Q N 1.249 121.029 119.800 -0.033 0.000 2.096 281 Q HA -0.130 4.211 4.340 0.002 0.000 0.204 281 Q C 1.774 177.749 176.000 -0.043 0.000 0.982 281 Q CA 1.421 57.201 55.803 -0.038 0.000 0.850 281 Q CB -0.026 28.689 28.738 -0.038 0.000 0.901 281 Q HN 0.473 nan 8.270 nan 0.000 0.422 282 L N 0.176 121.375 121.223 -0.040 0.000 2.141 282 L HA -0.134 4.208 4.340 0.002 0.000 0.209 282 L C 2.435 179.279 176.870 -0.044 0.000 1.094 282 L CA 0.715 55.529 54.840 -0.042 0.000 0.763 282 L CB -0.519 41.518 42.059 -0.036 0.000 0.908 282 L HN 0.213 nan 8.230 nan 0.000 0.437 283 V N -3.728 116.165 119.914 -0.036 0.000 2.535 283 V HA -0.149 3.972 4.120 0.002 0.000 0.246 283 V C 2.151 178.215 176.094 -0.050 0.000 1.045 283 V CA 0.874 63.153 62.300 -0.035 0.000 1.058 283 V CB -0.567 31.245 31.823 -0.017 0.000 0.689 283 V HN 0.399 nan 8.190 nan 0.000 0.461 284 Q N 0.818 120.588 119.800 -0.050 0.000 2.124 284 Q HA -0.117 4.224 4.340 0.002 0.000 0.202 284 Q C 2.505 178.458 176.000 -0.078 0.000 0.977 284 Q CA 1.985 57.753 55.803 -0.058 0.000 0.850 284 Q CB -0.433 28.274 28.738 -0.051 0.000 0.901 284 Q HN 0.783 nan 8.270 nan 0.000 0.429 285 A N 1.542 124.313 122.820 -0.082 0.000 1.902 285 A HA -0.224 4.098 4.320 0.002 0.000 0.217 285 A C 1.937 179.431 177.584 -0.150 0.000 1.181 285 A CA 1.571 53.543 52.037 -0.108 0.000 0.623 285 A CB -0.295 18.650 19.000 -0.091 0.000 0.818 285 A HN 0.214 nan 8.150 nan 0.000 0.443 286 K N -0.353 119.970 120.400 -0.129 0.000 2.057 286 K HA -0.025 4.296 4.320 0.002 0.000 0.207 286 K C 1.831 178.333 176.600 -0.163 0.000 1.049 286 K CA 1.376 57.570 56.287 -0.155 0.000 0.931 286 K CB -0.370 32.069 32.500 -0.101 0.000 0.714 286 K HN 0.473 nan 8.250 nan 0.000 0.440 287 L N 0.452 121.617 121.223 -0.096 0.000 2.056 287 L HA -0.125 4.217 4.340 0.002 0.000 0.207 287 L C 2.634 179.469 176.870 -0.058 0.000 1.078 287 L CA 0.951 55.784 54.840 -0.013 0.000 0.749 287 L CB -0.643 41.409 42.059 -0.012 0.000 0.901 287 L HN 0.191 nan 8.230 nan 0.000 0.433 288 A N 0.167 122.905 122.820 -0.138 0.000 1.908 288 A HA -0.278 4.043 4.320 0.002 0.000 0.218 288 A C 2.195 179.582 177.584 -0.330 0.000 1.181 288 A CA 2.096 54.012 52.037 -0.202 0.000 0.627 288 A CB -0.488 18.409 19.000 -0.171 0.000 0.818 288 A HN 0.397 nan 8.150 nan 0.000 0.445 289 E N -0.332 119.606 120.200 -0.435 0.000 2.077 289 E HA -0.143 4.208 4.350 0.002 0.000 0.193 289 E C 2.025 178.050 176.600 -0.957 0.000 0.989 289 E CA 1.616 57.530 56.400 -0.810 0.000 0.800 289 E CB -0.320 28.811 29.700 -0.948 0.000 0.746 289 E HN 0.640 nan 8.360 nan 0.000 0.452 290 M N -0.463 118.804 119.600 -0.554 0.000 2.117 290 M HA -0.141 4.340 4.480 0.002 0.000 0.262 290 M C 2.159 178.260 176.300 -0.332 0.000 1.065 290 M CA 1.053 56.184 55.300 -0.282 0.000 1.114 290 M CB -0.260 32.336 32.600 -0.008 0.000 1.361 290 M HN 0.217 nan 8.290 nan 0.000 0.408 291 L N 0.546 121.504 121.223 -0.442 0.000 2.056 291 L HA -0.053 4.288 4.340 0.002 0.000 0.207 291 L C 2.568 179.239 176.870 -0.333 0.000 1.078 291 L CA 1.974 56.493 54.840 -0.536 0.000 0.749 291 L CB -0.802 40.939 42.059 -0.530 0.000 0.901 291 L HN 0.195 nan 8.230 nan 0.000 0.433 292 A N -1.135 121.489 122.820 -0.326 0.000 1.902 292 A HA -0.220 4.101 4.320 0.002 0.000 0.217 292 A C 2.039 179.591 177.584 -0.052 0.000 1.181 292 A CA 1.774 53.680 52.037 -0.219 0.000 0.623 292 A CB -1.145 17.702 19.000 -0.255 0.000 0.818 292 A HN 0.643 nan 8.150 nan 0.000 0.443 293 W N -0.445 120.772 121.300 -0.138 0.000 2.358 293 W HA -0.107 4.554 4.660 0.002 0.000 0.303 293 W C 2.347 178.789 176.519 -0.129 0.000 1.208 293 W CA 1.040 58.311 57.345 -0.123 0.000 1.274 293 W CB -1.319 28.068 29.460 -0.122 0.000 1.138 293 W HN 0.654 nan 8.180 nan 0.000 0.515 294 H N -0.196 118.880 119.070 0.010 0.000 2.353 294 H HA -0.121 4.436 4.556 0.002 0.000 0.300 294 H C 1.654 176.932 175.328 -0.085 0.000 1.090 294 H CA 2.411 58.419 56.048 -0.066 0.000 1.327 294 H CB -0.156 29.503 29.762 -0.171 0.000 1.383 294 H HN -0.046 nan 8.280 nan 0.000 0.508 295 T N 0.805 115.324 114.554 -0.058 0.000 2.746 295 T HA -0.117 4.234 4.350 0.002 0.000 0.267 295 T C 1.851 176.421 174.700 -0.217 0.000 1.039 295 T CA 1.494 63.498 62.100 -0.161 0.000 1.142 295 T CB -0.109 68.604 68.868 -0.258 0.000 0.866 295 T HN 0.495 nan 8.240 nan 0.000 0.444 296 E N 0.471 120.584 120.200 -0.145 0.000 2.077 296 E HA -0.051 4.301 4.350 0.002 0.000 0.193 296 E C 2.585 179.109 176.600 -0.126 0.000 0.989 296 E CA 0.890 57.231 56.400 -0.097 0.000 0.800 296 E CB -0.365 29.331 29.700 -0.007 0.000 0.746 296 E HN 0.526 nan 8.360 nan 0.000 0.452 297 G N 1.176 109.876 108.800 -0.166 0.000 2.422 297 G HA2 -0.225 3.736 3.960 0.002 0.000 0.218 297 G HA3 -0.225 3.736 3.960 0.002 0.000 0.218 297 G C 1.565 176.262 174.900 -0.339 0.000 1.146 297 G CA 0.321 45.280 45.100 -0.235 0.000 0.769 297 G HN 0.089 nan 8.290 nan 0.000 0.547 298 L N -0.252 120.741 121.223 -0.383 0.000 2.093 298 L HA 0.043 4.384 4.340 0.002 0.000 0.208 298 L C 2.896 179.614 176.870 -0.254 0.000 1.085 298 L CA 0.504 55.099 54.840 -0.408 0.000 0.755 298 L CB -0.268 41.593 42.059 -0.330 0.000 0.904 298 L HN 0.219 nan 8.230 nan 0.000 0.435 299 L N -0.678 120.470 121.223 -0.124 0.000 2.056 299 L HA -0.239 4.102 4.340 0.002 0.000 0.207 299 L C 2.489 179.421 176.870 0.104 0.000 1.078 299 L CA 1.091 55.967 54.840 0.060 0.000 0.749 299 L CB -0.292 41.794 42.059 0.046 0.000 0.901 299 L HN 0.263 nan 8.230 nan 0.000 0.433 300 L N -0.679 120.510 121.223 -0.056 0.000 2.017 300 L HA -0.211 4.131 4.340 0.002 0.000 0.208 300 L C 2.871 179.645 176.870 -0.160 0.000 1.073 300 L CA 1.291 56.084 54.840 -0.079 0.000 0.745 300 L CB -0.787 41.197 42.059 -0.125 0.000 0.894 300 L HN 0.251 nan 8.230 nan 0.000 0.432 301 A N -0.471 122.105 122.820 -0.407 0.000 1.902 301 A HA -0.276 4.045 4.320 0.002 0.000 0.217 301 A C 2.001 179.340 177.584 -0.407 0.000 1.181 301 A CA 1.694 53.238 52.037 -0.822 0.000 0.623 301 A CB -1.046 16.846 19.000 -1.848 0.000 0.818 301 A HN 0.652 nan 8.150 nan 0.000 0.443 302 W N 0.872 121.951 121.300 -0.369 0.000 2.354 302 W HA -0.207 4.454 4.660 0.002 0.000 0.315 302 W C 2.188 178.800 176.519 0.155 0.000 1.206 302 W CA 2.173 59.571 57.345 0.088 0.000 1.290 302 W CB -0.272 29.204 29.460 0.027 0.000 1.152 302 W HN 0.251 nan 8.180 nan 0.000 0.489 303 R N 0.673 121.036 120.500 -0.228 0.000 2.105 303 R HA -0.176 4.166 4.340 0.002 0.000 0.239 303 R C 2.023 178.140 176.300 -0.306 0.000 1.135 303 R CA 2.028 57.801 56.100 -0.544 0.000 0.967 303 R CB -1.326 28.936 30.300 -0.063 0.000 0.861 303 R HN 0.363 nan 8.270 nan 0.000 0.442 304 L N -0.029 121.155 121.223 -0.065 0.000 2.156 304 L HA 0.122 4.464 4.340 0.002 0.000 0.208 304 L C 2.136 179.120 176.870 0.190 0.000 1.095 304 L CA 1.788 56.681 54.840 0.088 0.000 0.770 304 L CB -0.748 41.437 42.059 0.211 0.000 0.914 304 L HN 0.311 nan 8.230 nan 0.000 0.439 305 A N -0.927 122.091 122.820 0.330 0.000 1.898 305 A HA -0.146 4.176 4.320 0.002 0.000 0.216 305 A C 2.320 179.886 177.584 -0.030 0.000 1.181 305 A CA 1.104 53.350 52.037 0.349 0.000 0.620 305 A CB -0.312 19.031 19.000 0.571 0.000 0.819 305 A HN 0.260 nan 8.150 nan 0.000 0.442 306 R N -0.180 120.192 120.500 -0.213 0.000 2.066 306 R HA 0.038 4.380 4.340 0.002 0.000 0.232 306 R C 2.089 178.289 176.300 -0.167 0.000 1.131 306 R CA 1.109 57.067 56.100 -0.237 0.000 0.955 306 R CB -1.308 28.737 30.300 -0.424 0.000 0.851 306 R HN 0.569 nan 8.270 nan 0.000 0.432 307 L N 0.981 122.102 121.223 -0.170 0.000 2.079 307 L HA -0.185 4.156 4.340 0.002 0.000 0.210 307 L C 2.687 179.493 176.870 -0.108 0.000 1.081 307 L CA 1.450 56.221 54.840 -0.115 0.000 0.752 307 L CB -0.418 41.586 42.059 -0.092 0.000 0.896 307 L HN 0.209 nan 8.230 nan 0.000 0.433 308 K N 0.059 120.374 120.400 -0.142 0.000 2.002 308 K HA -0.214 4.107 4.320 0.002 0.000 0.209 308 K C 1.683 178.193 176.600 -0.151 0.000 1.048 308 K CA 1.858 58.027 56.287 -0.197 0.000 0.930 308 K CB -0.012 32.243 32.500 -0.408 0.000 0.714 308 K HN 0.248 nan 8.250 nan 0.000 0.438 309 D N 0.692 121.014 120.400 -0.130 0.000 2.219 309 D HA -0.139 4.502 4.640 0.002 0.000 0.205 309 D C 1.253 177.518 176.300 -0.058 0.000 0.970 309 D CA 1.100 55.049 54.000 -0.085 0.000 0.851 309 D CB 0.052 40.814 40.800 -0.064 0.000 0.943 309 D HN 0.581 nan 8.370 nan 0.000 0.488 310 E N -0.126 120.038 120.200 -0.060 0.000 2.476 310 E HA 0.195 4.547 4.350 0.002 0.000 0.191 310 E C 1.062 177.640 176.600 -0.036 0.000 1.064 310 E CA 0.419 56.794 56.400 -0.041 0.000 0.866 310 E CB -0.093 29.583 29.700 -0.040 0.000 0.952 310 E HN 0.064 nan 8.360 nan 0.000 0.492 311 G N 2.084 110.858 108.800 -0.045 0.000 2.179 311 G HA2 -0.329 3.632 3.960 0.002 0.000 0.257 311 G HA3 -0.329 3.632 3.960 0.002 0.000 0.257 311 G C 0.597 175.478 174.900 -0.031 0.000 1.010 311 G CA 0.791 45.870 45.100 -0.035 0.000 0.736 311 G HN 0.383 nan 8.290 nan 0.000 0.513 312 K N -1.132 119.244 120.400 -0.040 0.000 2.387 312 K HA 0.331 4.652 4.320 0.002 0.000 0.203 312 K C 0.741 177.320 176.600 -0.036 0.000 1.030 312 K CA -0.596 55.671 56.287 -0.032 0.000 1.099 312 K CB 0.760 33.242 32.500 -0.030 0.000 0.863 312 K HN 0.310 nan 8.250 nan 0.000 0.529 313 L N 2.464 123.657 121.223 -0.049 0.000 2.416 313 L HA 0.091 4.432 4.340 0.002 0.000 0.272 313 L C 0.144 176.997 176.870 -0.029 0.000 1.161 313 L CA 0.650 55.463 54.840 -0.045 0.000 0.845 313 L CB 0.727 42.741 42.059 -0.074 0.000 1.119 313 L HN 0.143 nan 8.230 nan 0.000 0.464 314 T N 1.793 116.337 114.554 -0.016 0.000 2.940 314 T HA 0.585 4.937 4.350 0.002 0.000 0.288 314 T C -2.063 172.637 174.700 -0.001 0.000 1.033 314 T CA -1.779 60.316 62.100 -0.008 0.000 1.033 314 T CB 1.631 70.497 68.868 -0.003 0.000 1.079 314 T HN 0.466 nan 8.240 nan 0.000 0.496 315 P HA 0.014 nan 4.420 nan 0.000 0.216 315 P C 1.676 178.992 177.300 0.027 0.000 1.153 315 P CA 1.437 64.545 63.100 0.013 0.000 0.848 315 P CB -0.231 31.474 31.700 0.008 0.000 0.787 316 A N -0.185 122.650 122.820 0.024 0.000 1.908 316 A HA -0.284 4.037 4.320 0.002 0.000 0.218 316 A C 2.241 179.834 177.584 0.014 0.000 1.181 316 A CA 1.699 53.754 52.037 0.030 0.000 0.627 316 A CB -1.367 17.648 19.000 0.024 0.000 0.818 316 A HN 0.204 nan 8.150 nan 0.000 0.445 317 Q N -0.579 119.225 119.800 0.007 0.000 2.096 317 Q HA -0.138 4.204 4.340 0.002 0.000 0.204 317 Q C 2.156 178.154 176.000 -0.003 0.000 0.982 317 Q CA 1.722 57.525 55.803 -0.000 0.000 0.850 317 Q CB -0.413 28.326 28.738 0.001 0.000 0.901 317 Q HN 0.502 nan 8.270 nan 0.000 0.422 318 V N 0.340 120.261 119.914 0.012 0.000 2.343 318 V HA -0.245 3.876 4.120 0.002 0.000 0.247 318 V C 2.231 178.294 176.094 -0.051 0.000 1.051 318 V CA 1.790 64.100 62.300 0.016 0.000 1.036 318 V CB -0.480 31.372 31.823 0.047 0.000 0.654 318 V HN 0.291 nan 8.190 nan 0.000 0.451 319 S N -0.068 115.615 115.700 -0.029 0.000 2.370 319 S HA -0.207 4.264 4.470 0.002 0.000 0.226 319 S C 1.876 176.362 174.600 -0.189 0.000 1.033 319 S CA 1.904 60.056 58.200 -0.079 0.000 1.011 319 S CB -0.409 62.877 63.200 0.144 0.000 0.852 319 S HN 0.465 nan 8.310 nan 0.000 0.457 320 L N 1.810 122.976 121.223 -0.097 0.000 2.017 320 L HA -0.019 4.322 4.340 0.002 0.000 0.208 320 L C 2.316 179.110 176.870 -0.127 0.000 1.073 320 L CA 2.128 56.909 54.840 -0.098 0.000 0.745 320 L CB -1.080 40.947 42.059 -0.053 0.000 0.894 320 L HN 0.234 nan 8.230 nan 0.000 0.432 321 A N -0.782 121.968 122.820 -0.117 0.000 1.930 321 A HA -0.189 4.132 4.320 0.002 0.000 0.217 321 A C 2.420 179.906 177.584 -0.164 0.000 1.175 321 A CA 1.710 53.667 52.037 -0.132 0.000 0.627 321 A CB -0.611 18.317 19.000 -0.120 0.000 0.815 321 A HN 0.430 nan 8.150 nan 0.000 0.443 322 K N 0.042 120.314 120.400 -0.213 0.000 2.025 322 K HA -0.141 4.181 4.320 0.002 0.000 0.207 322 K C 2.291 178.759 176.600 -0.221 0.000 1.049 322 K CA 1.357 57.503 56.287 -0.235 0.000 0.933 322 K CB -0.404 31.885 32.500 -0.352 0.000 0.714 322 K HN 0.470 nan 8.250 nan 0.000 0.438 323 R N 0.561 120.856 120.500 -0.341 0.000 2.082 323 R HA -0.169 4.173 4.340 0.002 0.000 0.234 323 R C 2.147 178.429 176.300 -0.031 0.000 1.136 323 R CA 1.693 57.650 56.100 -0.239 0.000 0.935 323 R CB -0.192 29.906 30.300 -0.336 0.000 0.842 323 R HN 0.245 nan 8.270 nan 0.000 0.430 324 Q N 0.590 120.356 119.800 -0.057 0.000 2.030 324 Q HA -0.142 4.200 4.340 0.002 0.000 0.204 324 Q C 1.923 177.910 176.000 -0.022 0.000 0.986 324 Q CA 1.968 57.771 55.803 0.000 0.000 0.843 324 Q CB -0.711 27.995 28.738 -0.053 0.000 0.904 324 Q HN 0.574 nan 8.270 nan 0.000 0.420 325 N N -0.272 118.387 118.700 -0.070 0.000 2.120 325 N HA -0.114 4.627 4.740 0.002 0.000 0.188 325 N C 1.907 177.393 175.510 -0.040 0.000 1.024 325 N CA 1.178 54.172 53.050 -0.093 0.000 0.852 325 N CB 0.080 38.489 38.487 -0.131 0.000 1.003 325 N HN -0.012 nan 8.380 nan 0.000 0.424 326 V N 0.800 120.739 119.914 0.042 0.000 2.427 326 V HA -0.206 3.915 4.120 0.002 0.000 0.248 326 V C 1.841 178.061 176.094 0.210 0.000 1.051 326 V CA 1.278 63.653 62.300 0.125 0.000 1.048 326 V CB -0.647 31.296 31.823 0.200 0.000 0.666 326 V HN 0.551 nan 8.190 nan 0.000 0.456 327 W N 1.223 122.541 121.300 0.030 0.000 2.358 327 W HA -0.212 4.449 4.660 0.002 0.000 0.303 327 W C 2.406 178.739 176.519 -0.310 0.000 1.208 327 W CA 1.548 58.863 57.345 -0.050 0.000 1.274 327 W CB 0.049 29.555 29.460 0.078 0.000 1.138 327 W HN 0.207 nan 8.180 nan 0.000 0.515 328 K N 0.160 120.292 120.400 -0.447 0.000 2.057 328 K HA -0.157 4.165 4.320 0.002 0.000 0.207 328 K C 2.297 178.628 176.600 -0.448 0.000 1.049 328 K CA 1.600 57.365 56.287 -0.869 0.000 0.931 328 K CB -0.569 31.505 32.500 -0.710 0.000 0.714 328 K HN 0.110 nan 8.250 nan 0.000 0.440 329 A N 1.304 123.997 122.820 -0.212 0.000 1.902 329 A HA -0.150 4.172 4.320 0.002 0.000 0.217 329 A C 2.088 179.592 177.584 -0.132 0.000 1.181 329 A CA 1.135 53.109 52.037 -0.106 0.000 0.623 329 A CB -0.481 18.481 19.000 -0.062 0.000 0.818 329 A HN 0.229 nan 8.150 nan 0.000 0.443 330 L N -0.122 120.991 121.223 -0.184 0.000 2.027 330 L HA -0.180 4.161 4.340 0.002 0.000 0.206 330 L C 2.457 179.139 176.870 -0.314 0.000 1.074 330 L CA 2.325 57.037 54.840 -0.213 0.000 0.745 330 L CB -0.823 41.092 42.059 -0.240 0.000 0.898 330 L HN 0.507 nan 8.230 nan 0.000 0.433 331 Q N -0.681 118.791 119.800 -0.548 0.000 2.084 331 Q HA -0.169 4.172 4.340 0.002 0.000 0.202 331 Q C 2.251 178.198 176.000 -0.088 0.000 0.978 331 Q CA 1.702 57.220 55.803 -0.475 0.000 0.844 331 Q CB -0.406 27.852 28.738 -0.800 0.000 0.898 331 Q HN 0.686 nan 8.270 nan 0.000 0.426 332 A N 0.988 123.830 122.820 0.036 0.000 1.933 332 A HA -0.102 4.219 4.320 0.002 0.000 0.218 332 A C 2.277 179.871 177.584 0.016 0.000 1.175 332 A CA 1.494 53.608 52.037 0.128 0.000 0.628 332 A CB -0.721 18.387 19.000 0.180 0.000 0.814 332 A HN 0.398 nan 8.150 nan 0.000 0.444 333 A N -0.026 122.775 122.820 -0.031 0.000 1.902 333 A HA -0.153 4.168 4.320 0.002 0.000 0.217 333 A C 2.243 179.799 177.584 -0.045 0.000 1.181 333 A CA 1.535 53.553 52.037 -0.030 0.000 0.623 333 A CB -0.420 18.566 19.000 -0.023 0.000 0.818 333 A HN 0.561 nan 8.150 nan 0.000 0.443 334 R N -1.089 119.371 120.500 -0.067 0.000 2.075 334 R HA 0.005 4.346 4.340 0.002 0.000 0.232 334 R C 2.279 178.541 176.300 -0.062 0.000 1.126 334 R CA 1.632 57.690 56.100 -0.070 0.000 0.963 334 R CB -0.383 29.862 30.300 -0.092 0.000 0.858 334 R HN 0.508 nan 8.270 nan 0.000 0.435 335 M N 0.085 119.656 119.600 -0.049 0.000 2.159 335 M HA -0.139 4.342 4.480 0.002 0.000 0.263 335 M C 2.440 178.704 176.300 -0.061 0.000 1.063 335 M CA 1.672 56.943 55.300 -0.047 0.000 1.110 335 M CB -0.234 32.346 32.600 -0.033 0.000 1.374 335 M HN 0.284 nan 8.290 nan 0.000 0.411 336 A N -0.082 122.703 122.820 -0.058 0.000 1.898 336 A HA -0.140 4.181 4.320 0.002 0.000 0.216 336 A C 2.197 179.696 177.584 -0.142 0.000 1.181 336 A CA 1.256 53.243 52.037 -0.084 0.000 0.620 336 A CB -0.552 18.416 19.000 -0.052 0.000 0.819 336 A HN 0.292 nan 8.150 nan 0.000 0.442 337 R N 0.481 120.908 120.500 -0.121 0.000 2.081 337 R HA -0.174 4.168 4.340 0.002 0.000 0.235 337 R C 1.744 177.949 176.300 -0.160 0.000 1.131 337 R CA 2.080 58.089 56.100 -0.152 0.000 0.960 337 R CB -0.861 29.377 30.300 -0.104 0.000 0.856 337 R HN 0.592 nan 8.270 nan 0.000 0.436 338 D N 0.197 120.530 120.400 -0.112 0.000 2.097 338 D HA -0.133 4.508 4.640 0.002 0.000 0.195 338 D C 2.071 178.312 176.300 -0.098 0.000 0.989 338 D CA 1.390 55.337 54.000 -0.089 0.000 0.827 338 D CB -0.201 40.562 40.800 -0.062 0.000 0.966 338 D HN 0.315 nan 8.370 nan 0.000 0.456 339 I N 0.025 120.531 120.570 -0.108 0.000 2.361 339 I HA -0.216 3.956 4.170 0.002 0.000 0.251 339 I C 2.274 178.293 176.117 -0.164 0.000 1.133 339 I CA 0.577 61.828 61.300 -0.081 0.000 1.413 339 I CB -0.142 37.821 38.000 -0.062 0.000 1.073 339 I HN 0.117 nan 8.210 nan 0.000 0.424 340 L N 0.176 121.139 121.223 -0.432 0.000 2.291 340 L HA 0.052 4.393 4.340 0.002 0.000 0.214 340 L C 1.593 178.150 176.870 -0.521 0.000 1.120 340 L CA 0.606 54.871 54.840 -0.958 0.000 0.799 340 L CB -0.981 40.456 42.059 -1.037 0.000 0.925 340 L HN 0.507 nan 8.230 nan 0.000 0.446 341 G N 0.143 108.798 108.800 -0.242 0.000 2.547 341 G HA2 -0.345 3.616 3.960 0.002 0.000 0.271 341 G HA3 -0.345 3.616 3.960 0.002 0.000 0.271 341 G C 0.843 175.661 174.900 -0.137 0.000 1.209 341 G CA -0.057 44.973 45.100 -0.117 0.000 0.959 341 G HN 0.309 nan 8.290 nan 0.000 0.563 342 G N -0.698 108.056 108.800 -0.076 0.000 2.442 342 G HA2 0.032 3.994 3.960 0.002 0.000 0.219 342 G HA3 0.032 3.994 3.960 0.002 0.000 0.219 342 G C 2.096 176.938 174.900 -0.097 0.000 1.141 342 G CA 2.145 47.207 45.100 -0.063 0.000 0.763 342 G HN 1.381 nan 8.290 nan 0.000 0.554 343 S N 0.554 116.166 115.700 -0.148 0.000 2.442 343 S HA -0.027 4.444 4.470 0.002 0.000 0.236 343 S C 2.293 176.703 174.600 -0.317 0.000 1.007 343 S CA 0.900 58.976 58.200 -0.208 0.000 0.965 343 S CB -0.182 62.827 63.200 -0.318 0.000 0.773 343 S HN 0.520 nan 8.310 nan 0.000 0.504 344 G N 1.653 110.234 108.800 -0.365 0.000 2.813 344 G HA2 0.073 4.034 3.960 0.002 0.000 0.209 344 G HA3 0.073 4.034 3.960 0.002 0.000 0.209 344 G C 1.119 175.931 174.900 -0.146 0.000 1.150 344 G CA 0.131 45.049 45.100 -0.303 0.000 0.785 344 G HN 0.683 nan 8.290 nan 0.000 0.535 345 I N -2.209 118.301 120.570 -0.101 0.000 3.684 345 I HA 0.314 4.485 4.170 0.002 0.000 0.304 345 I C 0.126 176.225 176.117 -0.030 0.000 1.278 345 I CA 0.091 61.358 61.300 -0.055 0.000 1.272 345 I CB 0.270 38.248 38.000 -0.036 0.000 1.029 345 I HN -0.249 nan 8.210 nan 0.000 0.458 346 T N 1.432 115.970 114.554 -0.027 0.000 2.888 346 T HA 0.471 4.822 4.350 0.002 0.000 0.284 346 T C 0.767 175.452 174.700 -0.026 0.000 1.017 346 T CA -0.548 61.549 62.100 -0.006 0.000 1.022 346 T CB 2.216 71.093 68.868 0.016 0.000 1.013 346 T HN 0.144 nan 8.240 nan 0.000 0.465 347 L N 1.901 123.097 121.223 -0.045 0.000 2.749 347 L HA 0.027 4.368 4.340 0.002 0.000 0.245 347 L C 2.320 179.104 176.870 -0.144 0.000 1.156 347 L CA 0.764 55.541 54.840 -0.106 0.000 0.890 347 L CB -0.330 41.691 42.059 -0.062 0.000 1.036 347 L HN 0.781 nan 8.230 nan 0.000 0.441 348 E N -0.210 119.933 120.200 -0.096 0.000 2.347 348 E HA -0.187 4.165 4.350 0.002 0.000 0.196 348 E C 1.235 177.610 176.600 -0.375 0.000 1.008 348 E CA 1.003 57.296 56.400 -0.179 0.000 0.852 348 E CB 0.236 29.907 29.700 -0.049 0.000 0.783 348 E HN 0.535 nan 8.360 nan 0.000 0.505 349 Y N -1.486 118.638 120.300 -0.293 0.000 2.430 349 Y HA 0.136 4.687 4.550 0.002 0.000 0.248 349 Y C 0.746 176.487 175.900 -0.264 0.000 1.108 349 Y CA 0.481 58.394 58.100 -0.311 0.000 1.264 349 Y CB 0.668 38.993 38.460 -0.225 0.000 1.172 349 Y HN 0.125 nan 8.280 nan 0.000 0.520 350 H N -2.398 116.632 119.070 -0.067 0.000 4.778 350 H HA -0.276 4.281 4.556 0.002 0.000 0.078 350 H C 2.039 177.337 175.328 -0.050 0.000 0.593 350 H CA 1.159 57.135 56.048 -0.120 0.000 1.029 350 H CB -1.836 27.924 29.762 -0.004 0.000 0.441 350 H HN 0.296 nan 8.280 nan 0.000 0.772 351 A N 1.385 124.302 122.820 0.163 0.000 1.915 351 A HA -0.210 4.111 4.320 0.002 0.000 0.220 351 A C 2.559 180.147 177.584 0.006 0.000 1.198 351 A CA 2.628 54.715 52.037 0.083 0.000 0.647 351 A CB -0.932 18.061 19.000 -0.011 0.000 0.825 351 A HN 0.532 nan 8.150 nan 0.000 0.456 352 I N -1.576 118.954 120.570 -0.067 0.000 2.617 352 I HA -0.137 4.034 4.170 0.002 0.000 0.256 352 I C 2.562 178.551 176.117 -0.213 0.000 1.167 352 I CA 1.132 62.366 61.300 -0.110 0.000 1.469 352 I CB -0.160 37.775 38.000 -0.108 0.000 1.098 352 I HN 0.416 nan 8.210 nan 0.000 0.436 353 R N -0.235 120.041 120.500 -0.374 0.000 2.066 353 R HA -0.201 4.140 4.340 0.002 0.000 0.232 353 R C 2.356 178.414 176.300 -0.402 0.000 1.131 353 R CA 1.487 57.141 56.100 -0.744 0.000 0.955 353 R CB -0.295 29.442 30.300 -0.938 0.000 0.851 353 R HN 0.432 nan 8.270 nan 0.000 0.432 354 H N 0.140 119.106 119.070 -0.173 0.000 2.389 354 H HA -0.136 4.421 4.556 0.002 0.000 0.299 354 H C 2.007 177.305 175.328 -0.050 0.000 1.081 354 H CA 1.720 57.719 56.048 -0.081 0.000 1.345 354 H CB -0.199 29.523 29.762 -0.067 0.000 1.393 354 H HN 0.311 nan 8.280 nan 0.000 0.520 355 M N 0.346 119.979 119.600 0.056 0.000 2.117 355 M HA -0.150 4.331 4.480 0.002 0.000 0.262 355 M C 1.946 178.264 176.300 0.030 0.000 1.065 355 M CA 1.406 56.716 55.300 0.016 0.000 1.114 355 M CB -0.062 32.529 32.600 -0.016 0.000 1.361 355 M HN 0.166 nan 8.290 nan 0.000 0.408 356 L N -0.194 121.058 121.223 0.048 0.000 2.044 356 L HA -0.207 4.134 4.340 0.002 0.000 0.205 356 L C 1.988 178.953 176.870 0.158 0.000 1.075 356 L CA 1.484 56.401 54.840 0.129 0.000 0.747 356 L CB -0.814 41.398 42.059 0.255 0.000 0.903 356 L HN 0.431 nan 8.230 nan 0.000 0.435 357 N N 0.024 118.834 118.700 0.185 0.000 2.104 357 N HA -0.198 4.543 4.740 0.002 0.000 0.190 357 N C 1.844 177.409 175.510 0.091 0.000 1.024 357 N CA 0.928 54.092 53.050 0.190 0.000 0.853 357 N CB -0.101 38.516 38.487 0.216 0.000 1.008 357 N HN 0.238 nan 8.380 nan 0.000 0.424 358 L N 0.650 121.923 121.223 0.084 0.000 2.353 358 L HA -0.121 4.221 4.340 0.002 0.000 0.220 358 L C 2.157 179.064 176.870 0.062 0.000 1.133 358 L CA 0.632 55.507 54.840 0.058 0.000 0.798 358 L CB -0.142 41.942 42.059 0.042 0.000 0.922 358 L HN 0.190 nan 8.230 nan 0.000 0.445 359 E N -0.268 119.963 120.200 0.052 0.000 2.150 359 E HA -0.154 4.197 4.350 0.002 0.000 0.193 359 E C 2.064 178.696 176.600 0.054 0.000 0.985 359 E CA 1.419 57.866 56.400 0.078 0.000 0.814 359 E CB 0.058 29.791 29.700 0.054 0.000 0.752 359 E HN 0.215 nan 8.360 nan 0.000 0.466 360 T N -0.621 113.893 114.554 -0.067 0.000 2.770 360 T HA -0.068 4.284 4.350 0.002 0.000 0.263 360 T C 1.801 176.189 174.700 -0.520 0.000 1.039 360 T CA 1.229 63.169 62.100 -0.266 0.000 1.142 360 T CB -0.174 68.519 68.868 -0.291 0.000 0.868 360 T HN 0.001 nan 8.240 nan 0.000 0.435 361 V N 0.791 120.441 119.914 -0.441 0.000 2.469 361 V HA -0.174 3.947 4.120 0.002 0.000 0.251 361 V C 2.046 178.139 176.094 -0.002 0.000 1.064 361 V CA 1.552 63.635 62.300 -0.363 0.000 1.066 361 V CB -0.800 31.006 31.823 -0.029 0.000 0.667 361 V HN 0.534 nan 8.190 nan 0.000 0.461 362 Y N 1.207 121.472 120.300 -0.058 0.000 2.421 362 Y HA -0.163 4.388 4.550 0.002 0.000 0.292 362 Y C 2.363 178.291 175.900 0.047 0.000 1.136 362 Y CA 1.893 60.024 58.100 0.050 0.000 1.255 362 Y CB -0.204 38.302 38.460 0.078 0.000 0.991 362 Y HN 0.239 nan 8.280 nan 0.000 0.552 363 T N 0.041 114.562 114.554 -0.054 0.000 2.988 363 T HA 0.018 4.370 4.350 0.002 0.000 0.240 363 T C -0.069 174.650 174.700 0.031 0.000 1.014 363 T CA 0.598 62.637 62.100 -0.102 0.000 1.155 363 T CB -0.474 68.330 68.868 -0.106 0.000 0.872 363 T HN 0.256 nan 8.240 nan 0.000 0.440 364 Y N 1.599 121.887 120.300 -0.019 0.000 2.260 364 Y HA 0.425 4.977 4.550 0.002 0.000 0.339 364 Y C 0.548 176.468 175.900 0.033 0.000 1.317 364 Y CA -1.941 56.161 58.100 0.003 0.000 1.514 364 Y CB -0.214 38.260 38.460 0.022 0.000 1.382 364 Y HN 0.231 nan 8.280 nan 0.000 0.581 365 E N -0.082 120.212 120.200 0.157 0.000 2.476 365 E HA -0.148 4.203 4.350 0.002 0.000 0.251 365 E C 0.340 177.046 176.600 0.175 0.000 1.130 365 E CA 1.318 57.752 56.400 0.057 0.000 0.736 365 E CB -1.873 27.826 29.700 -0.002 0.000 1.298 365 E HN 1.550 nan 8.360 nan 0.000 0.400 366 G N 0.304 109.145 108.800 0.067 0.000 3.402 366 G HA2 -0.161 3.800 3.960 0.002 0.000 0.686 366 G HA3 -0.161 3.800 3.960 0.002 0.000 0.686 366 G C 0.310 175.149 174.900 -0.103 0.000 0.983 366 G CA 0.111 45.113 45.100 -0.162 0.000 0.821 366 G HN 0.609 nan 8.290 nan 0.000 0.500 367 T N 0.613 115.065 114.554 -0.170 0.000 2.748 367 T HA 0.318 4.670 4.350 0.002 0.000 0.304 367 T C 1.464 176.070 174.700 -0.157 0.000 1.041 367 T CA 0.557 62.548 62.100 -0.181 0.000 1.033 367 T CB 1.130 69.880 68.868 -0.198 0.000 0.995 367 T HN 0.839 nan 8.240 nan 0.000 0.536 368 H N 0.719 119.546 119.070 -0.406 0.000 2.319 368 H HA -0.142 4.415 4.556 0.002 0.000 0.297 368 H C 1.387 176.592 175.328 -0.206 0.000 1.097 368 H CA 2.542 58.403 56.048 -0.313 0.000 1.285 368 H CB -0.235 29.186 29.762 -0.567 0.000 1.368 368 H HN 0.688 nan 8.280 nan 0.000 0.495 369 D N 0.177 120.511 120.400 -0.109 0.000 2.144 369 D HA -0.129 4.512 4.640 0.002 0.000 0.200 369 D C 2.424 178.605 176.300 -0.199 0.000 0.978 369 D CA 1.448 55.371 54.000 -0.129 0.000 0.833 369 D CB -0.314 40.418 40.800 -0.114 0.000 0.961 369 D HN 0.454 nan 8.370 nan 0.000 0.470 370 V N -0.581 119.209 119.914 -0.205 0.000 2.427 370 V HA -0.186 3.935 4.120 0.002 0.000 0.248 370 V C 2.089 178.068 176.094 -0.192 0.000 1.051 370 V CA 1.496 63.694 62.300 -0.170 0.000 1.048 370 V CB -0.740 31.004 31.823 -0.132 0.000 0.666 370 V HN 0.194 nan 8.190 nan 0.000 0.456 371 H N 0.809 119.812 119.070 -0.111 0.000 2.389 371 H HA -0.046 4.511 4.556 0.002 0.000 0.299 371 H C 2.559 177.786 175.328 -0.168 0.000 1.081 371 H CA 2.018 57.994 56.048 -0.120 0.000 1.345 371 H CB -0.627 29.028 29.762 -0.179 0.000 1.393 371 H HN 0.483 nan 8.280 nan 0.000 0.520 372 T N 1.972 116.440 114.554 -0.143 0.000 2.684 372 T HA -0.100 4.251 4.350 0.002 0.000 0.267 372 T C 2.208 176.795 174.700 -0.188 0.000 1.036 372 T CA 0.630 62.628 62.100 -0.171 0.000 1.148 372 T CB -0.134 68.626 68.868 -0.179 0.000 0.863 372 T HN 0.070 nan 8.240 nan 0.000 0.436 373 L N 0.916 121.945 121.223 -0.324 0.000 2.093 373 L HA -0.017 4.324 4.340 0.002 0.000 0.208 373 L C 2.642 179.364 176.870 -0.246 0.000 1.085 373 L CA 1.221 55.717 54.840 -0.573 0.000 0.755 373 L CB -1.542 39.596 42.059 -1.536 0.000 0.904 373 L HN 0.180 nan 8.230 nan 0.000 0.435 374 V N -0.017 119.918 119.914 0.035 0.000 2.255 374 V HA -0.305 3.816 4.120 0.002 0.000 0.247 374 V C 2.634 178.779 176.094 0.084 0.000 1.051 374 V CA 1.559 63.984 62.300 0.208 0.000 1.018 374 V CB -0.371 31.565 31.823 0.188 0.000 0.641 374 V HN 0.317 nan 8.190 nan 0.000 0.445 375 L N 0.116 121.353 121.223 0.024 0.000 2.046 375 L HA -0.107 4.234 4.340 0.002 0.000 0.208 375 L C 2.678 179.541 176.870 -0.011 0.000 1.077 375 L CA 1.795 56.636 54.840 0.001 0.000 0.747 375 L CB -1.293 40.752 42.059 -0.023 0.000 0.896 375 L HN 0.487 nan 8.230 nan 0.000 0.432 376 G N -0.210 108.563 108.800 -0.045 0.000 2.446 376 G HA2 -0.313 3.648 3.960 0.002 0.000 0.217 376 G HA3 -0.313 3.648 3.960 0.002 0.000 0.217 376 G C 1.767 176.658 174.900 -0.016 0.000 1.168 376 G CA 0.793 45.862 45.100 -0.052 0.000 0.771 376 G HN 0.259 nan 8.290 nan 0.000 0.551 377 R N 0.314 120.825 120.500 0.019 0.000 2.092 377 R HA -0.025 4.316 4.340 0.002 0.000 0.231 377 R C 2.275 178.603 176.300 0.046 0.000 1.119 377 R CA 1.288 57.427 56.100 0.065 0.000 0.970 377 R CB -0.320 30.084 30.300 0.174 0.000 0.864 377 R HN 0.305 nan 8.270 nan 0.000 0.440 378 E N 0.544 120.769 120.200 0.042 0.000 2.150 378 E HA -0.126 4.226 4.350 0.002 0.000 0.193 378 E C 1.976 178.585 176.600 0.015 0.000 0.985 378 E CA 0.932 57.348 56.400 0.027 0.000 0.814 378 E CB 0.034 29.749 29.700 0.026 0.000 0.752 378 E HN 0.444 nan 8.360 nan 0.000 0.466 379 I N 0.199 120.775 120.570 0.009 0.000 2.400 379 I HA -0.177 3.994 4.170 0.002 0.000 0.248 379 I C 2.509 178.628 176.117 0.004 0.000 1.109 379 I CA 1.553 62.855 61.300 0.004 0.000 1.425 379 I CB -0.112 37.887 38.000 -0.003 0.000 1.094 379 I HN 0.094 nan 8.210 nan 0.000 0.425 380 T N -2.871 111.685 114.554 0.004 0.000 3.014 380 T HA 0.271 4.622 4.350 0.002 0.000 0.250 380 T C 1.629 176.334 174.700 0.008 0.000 1.060 380 T CA 0.565 62.667 62.100 0.004 0.000 1.040 380 T CB 0.684 69.552 68.868 -0.001 0.000 0.971 380 T HN 0.467 nan 8.240 nan 0.000 0.497 381 G N 1.396 110.205 108.800 0.014 0.000 2.179 381 G HA2 -0.193 3.769 3.960 0.002 0.000 0.260 381 G HA3 -0.193 3.769 3.960 0.002 0.000 0.260 381 G C -0.098 174.814 174.900 0.020 0.000 0.977 381 G CA 0.324 45.434 45.100 0.016 0.000 0.641 381 G HN 0.644 nan 8.290 nan 0.000 0.533 382 L N 0.281 121.518 121.223 0.023 0.000 2.317 382 L HA 0.437 4.779 4.340 0.002 0.000 0.281 382 L C 0.310 177.211 176.870 0.052 0.000 1.024 382 L CA -0.862 53.995 54.840 0.028 0.000 0.810 382 L CB 1.747 43.814 42.059 0.014 0.000 1.240 382 L HN 0.208 nan 8.230 nan 0.000 0.427 383 N N 1.537 120.280 118.700 0.072 0.000 2.408 383 N HA 0.361 5.102 4.740 0.002 0.000 0.257 383 N C 0.269 175.852 175.510 0.123 0.000 1.064 383 N CA -0.015 53.123 53.050 0.146 0.000 0.952 383 N CB 1.259 39.823 38.487 0.128 0.000 1.093 383 N HN 0.771 nan 8.380 nan 0.000 0.490 384 A N 3.840 126.717 122.820 0.095 0.000 2.470 384 A HA 0.253 4.574 4.320 0.002 0.000 0.251 384 A C -0.089 177.472 177.584 -0.037 0.000 1.245 384 A CA -0.461 51.570 52.037 -0.009 0.000 0.932 384 A CB -0.110 18.834 19.000 -0.094 0.000 1.037 384 A HN 0.571 nan 8.150 nan 0.000 0.522 385 F N 0.000 119.934 119.950 -0.027 0.000 2.286 385 F HA 0.000 4.528 4.527 0.002 0.000 0.279 385 F CA 0.000 57.982 58.000 -0.029 0.000 1.383 385 F CB 0.000 38.980 39.000 -0.033 0.000 1.145 385 F HN 0.000 nan 8.300 nan 0.000 0.574