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_F 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 0.000 176.380 176.300 0.132 0.000 1.140 1 M CA 0.000 55.387 55.300 0.146 0.000 0.988 1 M CB 0.000 32.643 32.600 0.072 0.000 1.302 2 L N 4.703 126.018 121.223 0.154 0.000 2.410 2 L HA 0.560 4.900 4.340 -0.000 0.000 0.273 2 L C -0.959 176.004 176.870 0.155 0.000 1.144 2 L CA 1.312 56.187 54.840 0.057 0.000 0.863 2 L CB 0.582 42.508 42.059 -0.221 0.000 1.140 2 L HN 0.744 nan 8.230 nan 0.000 0.463 3 D N 3.566 124.060 120.400 0.156 0.000 2.584 3 D HA 0.034 4.674 4.640 -0.000 0.000 0.238 3 D C 0.211 176.648 176.300 0.228 0.000 1.302 3 D CA -0.359 53.755 54.000 0.190 0.000 0.884 3 D CB -0.133 40.737 40.800 0.116 0.000 1.456 3 D HN 0.409 nan 8.370 nan 0.000 0.528 4 F N 1.789 121.792 119.950 0.087 0.000 2.293 4 F HA 0.000 4.527 4.527 0.000 0.000 0.300 4 F C 0.592 176.559 175.800 0.279 0.000 1.086 4 F CA 1.216 59.288 58.000 0.120 0.000 1.375 4 F CB 0.126 39.159 39.000 0.056 0.000 1.045 4 F HN 0.337 nan 8.300 nan 0.000 0.516 5 Y N 0.440 120.714 120.300 -0.043 0.000 2.571 5 Y HA 0.536 5.086 4.550 -0.000 0.000 0.275 5 Y C 1.216 177.027 175.900 -0.148 0.000 1.179 5 Y CA -0.768 57.232 58.100 -0.168 0.000 1.242 5 Y CB -0.847 37.545 38.460 -0.115 0.000 1.126 5 Y HN 0.095 nan 8.280 nan 0.000 0.524 6 A N 0.153 122.991 122.820 0.030 0.000 2.560 6 A HA -0.223 4.097 4.320 -0.000 0.000 0.299 6 A C 1.198 178.747 177.584 -0.057 0.000 1.484 6 A CA 0.642 52.666 52.037 -0.022 0.000 0.749 6 A CB -1.775 17.186 19.000 -0.064 0.000 1.072 6 A HN 0.364 nan 8.150 nan 0.000 0.426 7 L N -0.588 120.605 121.223 -0.050 0.000 2.291 7 L HA -0.101 4.239 4.340 -0.000 0.000 0.214 7 L C 2.233 179.049 176.870 -0.091 0.000 1.120 7 L CA 2.093 56.847 54.840 -0.142 0.000 0.799 7 L CB -1.003 40.974 42.059 -0.136 0.000 0.925 7 L HN 0.772 nan 8.230 nan 0.000 0.446 8 E N -0.104 120.081 120.200 -0.025 0.000 2.331 8 E HA -0.227 4.123 4.350 -0.000 0.000 0.199 8 E C 1.225 177.821 176.600 -0.007 0.000 1.008 8 E CA 0.868 57.270 56.400 0.004 0.000 0.843 8 E CB 0.144 29.854 29.700 0.016 0.000 0.761 8 E HN 0.425 nan 8.360 nan 0.000 0.507 9 D N -0.166 120.209 120.400 -0.041 0.000 2.277 9 D HA -0.059 4.581 4.640 -0.000 0.000 0.208 9 D C 1.310 177.586 176.300 -0.040 0.000 0.962 9 D CA 0.606 54.581 54.000 -0.042 0.000 0.865 9 D CB 0.180 40.941 40.800 -0.066 0.000 0.939 9 D HN 0.216 nan 8.370 nan 0.000 0.510 10 L N 0.189 121.365 121.223 -0.078 0.000 2.612 10 L HA 0.205 4.545 4.340 -0.000 0.000 0.230 10 L C 0.276 177.218 176.870 0.121 0.000 1.140 10 L CA 0.151 54.965 54.840 -0.042 0.000 0.896 10 L CB -0.212 41.639 42.059 -0.347 0.000 1.065 10 L HN -0.132 nan 8.230 nan 0.000 0.447 11 L N 0.116 121.392 121.223 0.087 0.000 2.325 11 L HA 0.369 4.709 4.340 -0.000 0.000 0.278 11 L C 0.838 177.758 176.870 0.083 0.000 1.023 11 L CA -0.552 54.359 54.840 0.118 0.000 0.811 11 L CB 1.825 43.943 42.059 0.097 0.000 1.249 11 L HN 0.054 nan 8.230 nan 0.000 0.431 12 T N -1.148 113.458 114.554 0.087 0.000 2.813 12 T HA 0.188 4.538 4.350 -0.000 0.000 0.297 12 T C -1.946 172.783 174.700 0.050 0.000 1.036 12 T CA -1.288 60.850 62.100 0.063 0.000 1.044 12 T CB 1.014 69.917 68.868 0.057 0.000 0.993 12 T HN 0.341 nan 8.240 nan 0.000 0.535 13 P HA -0.064 nan 4.420 nan 0.000 0.216 13 P C 1.573 178.896 177.300 0.038 0.000 1.153 13 P CA 0.897 64.019 63.100 0.037 0.000 0.848 13 P CB 0.071 31.791 31.700 0.033 0.000 0.787 14 E N 0.108 120.330 120.200 0.037 0.000 2.072 14 E HA -0.219 4.131 4.350 -0.000 0.000 0.191 14 E C 1.766 178.388 176.600 0.037 0.000 0.985 14 E CA 1.154 57.576 56.400 0.037 0.000 0.801 14 E CB -0.151 29.569 29.700 0.033 0.000 0.750 14 E HN 0.300 nan 8.360 nan 0.000 0.452 15 E N 0.453 120.673 120.200 0.033 0.000 2.051 15 E HA -0.170 4.180 4.350 -0.000 0.000 0.192 15 E C 2.113 178.726 176.600 0.021 0.000 0.991 15 E CA 1.075 57.487 56.400 0.020 0.000 0.799 15 E CB 0.001 29.715 29.700 0.024 0.000 0.748 15 E HN 0.180 nan 8.360 nan 0.000 0.449 16 K N 0.573 120.993 120.400 0.033 0.000 2.283 16 K HA -0.100 4.220 4.320 -0.000 0.000 0.202 16 K C 2.012 178.640 176.600 0.047 0.000 1.048 16 K CA 0.590 56.898 56.287 0.036 0.000 0.948 16 K CB 0.110 32.634 32.500 0.039 0.000 0.742 16 K HN 0.026 nan 8.250 nan 0.000 0.458 17 E N 1.050 121.280 120.200 0.050 0.000 2.122 17 E HA -0.097 4.253 4.350 -0.000 0.000 0.190 17 E C 2.045 178.693 176.600 0.080 0.000 0.977 17 E CA 0.850 57.287 56.400 0.062 0.000 0.820 17 E CB 0.138 29.872 29.700 0.056 0.000 0.770 17 E HN 0.172 nan 8.360 nan 0.000 0.462 18 V N 0.095 120.055 119.914 0.076 0.000 2.594 18 V HA -0.184 3.936 4.120 -0.000 0.000 0.253 18 V C 2.352 178.515 176.094 0.115 0.000 1.069 18 V CA 1.940 64.303 62.300 0.106 0.000 1.082 18 V CB -0.505 31.367 31.823 0.081 0.000 0.680 18 V HN 0.132 nan 8.190 nan 0.000 0.469 19 Q N 0.297 120.142 119.800 0.075 0.000 2.049 19 Q HA -0.160 4.180 4.340 -0.000 0.000 0.198 19 Q C 2.319 178.391 176.000 0.120 0.000 0.971 19 Q CA 1.520 57.370 55.803 0.079 0.000 0.833 19 Q CB -0.076 28.685 28.738 0.038 0.000 0.896 19 Q HN 0.617 nan 8.270 nan 0.000 0.434 20 K N 0.581 121.045 120.400 0.107 0.000 2.026 20 K HA -0.099 4.221 4.320 -0.000 0.000 0.208 20 K C 2.081 178.769 176.600 0.146 0.000 1.048 20 K CA 1.261 57.615 56.287 0.113 0.000 0.929 20 K CB -0.662 31.892 32.500 0.090 0.000 0.713 20 K HN 0.256 nan 8.250 nan 0.000 0.439 21 A N 1.706 124.619 122.820 0.156 0.000 1.877 21 A HA -0.110 4.210 4.320 -0.000 0.000 0.216 21 A C 2.494 180.256 177.584 0.296 0.000 1.186 21 A CA 2.302 54.454 52.037 0.192 0.000 0.620 21 A CB -0.776 18.322 19.000 0.164 0.000 0.822 21 A HN 0.321 nan 8.150 nan 0.000 0.443 22 A N -0.271 122.757 122.820 0.345 0.000 1.892 22 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 22 A C 2.278 180.105 177.584 0.405 0.000 1.188 22 A CA 2.084 54.428 52.037 0.512 0.000 0.631 22 A CB -0.548 18.648 19.000 0.327 0.000 0.822 22 A HN 0.576 nan 8.150 nan 0.000 0.447 23 R N -0.637 120.018 120.500 0.259 0.000 2.092 23 R HA -0.095 4.245 4.340 -0.000 0.000 0.231 23 R C 2.423 178.829 176.300 0.177 0.000 1.119 23 R CA 1.388 57.603 56.100 0.192 0.000 0.970 23 R CB -0.222 30.171 30.300 0.156 0.000 0.864 23 R HN 0.542 nan 8.270 nan 0.000 0.440 24 R N -0.463 120.156 120.500 0.198 0.000 2.073 24 R HA -0.160 4.180 4.340 -0.000 0.000 0.234 24 R C 2.218 178.650 176.300 0.221 0.000 1.134 24 R CA 1.673 57.879 56.100 0.176 0.000 0.952 24 R CB -0.564 29.834 30.300 0.164 0.000 0.850 24 R HN 0.240 nan 8.270 nan 0.000 0.433 25 F N 1.857 121.893 119.950 0.143 0.000 2.046 25 F HA -0.168 4.359 4.527 0.000 0.000 0.297 25 F C 1.861 177.769 175.800 0.179 0.000 1.123 25 F CA 1.497 59.587 58.000 0.149 0.000 1.199 25 F CB -0.639 38.457 39.000 0.159 0.000 0.972 25 F HN -0.127 nan 8.300 nan 0.000 0.474 26 L N 0.023 121.084 121.223 -0.270 0.000 2.131 26 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 26 L C 2.451 179.238 176.870 -0.139 0.000 1.092 26 L CA 1.696 56.330 54.840 -0.343 0.000 0.759 26 L CB -0.823 41.207 42.059 -0.049 0.000 0.903 26 L HN 0.218 nan 8.230 nan 0.000 0.435 27 E N 0.474 120.654 120.200 -0.035 0.000 2.072 27 E HA -0.247 4.103 4.350 -0.000 0.000 0.191 27 E C 2.218 178.804 176.600 -0.024 0.000 0.985 27 E CA 1.248 57.640 56.400 -0.014 0.000 0.801 27 E CB 0.099 29.815 29.700 0.027 0.000 0.750 27 E HN 0.286 nan 8.360 nan 0.000 0.452 28 K N 0.052 120.452 120.400 -0.000 0.000 2.098 28 K HA -0.075 4.245 4.320 -0.000 0.000 0.203 28 K C 1.312 177.936 176.600 0.040 0.000 1.051 28 K CA 1.347 57.651 56.287 0.029 0.000 0.957 28 K CB 0.164 32.713 32.500 0.083 0.000 0.738 28 K HN 0.061 nan 8.250 nan 0.000 0.447 29 E N -1.140 119.054 120.200 -0.011 0.000 2.489 29 E HA 0.104 4.454 4.350 -0.000 0.000 0.204 29 E C 0.907 177.588 176.600 0.135 0.000 1.006 29 E CA 0.296 56.738 56.400 0.070 0.000 0.936 29 E CB 1.141 30.881 29.700 0.066 0.000 1.002 29 E HN 0.366 nan 8.360 nan 0.000 0.488 30 A N 0.435 123.263 122.820 0.014 0.000 1.933 30 A HA 0.101 4.421 4.320 -0.000 0.000 0.198 30 A C 1.735 179.292 177.584 -0.045 0.000 1.617 30 A CA -0.193 51.913 52.037 0.116 0.000 1.039 30 A CB -0.227 18.852 19.000 0.131 0.000 1.066 30 A HN 0.139 nan 8.150 nan 0.000 0.484 31 L N 1.150 122.326 121.223 -0.078 0.000 2.043 31 L HA -0.040 4.300 4.340 -0.000 0.000 0.212 31 L C -1.005 175.735 176.870 -0.216 0.000 1.075 31 L CA 2.522 57.292 54.840 -0.118 0.000 0.752 31 L CB -1.063 40.943 42.059 -0.089 0.000 0.891 31 L HN 0.199 nan 8.230 nan 0.000 0.432 32 P HA -0.114 nan 4.420 nan 0.000 0.222 32 P C 0.797 177.614 177.300 -0.805 0.000 1.147 32 P CA 1.525 64.287 63.100 -0.565 0.000 0.790 32 P CB -0.099 31.165 31.700 -0.728 0.000 0.780 33 H N -2.627 116.088 119.070 -0.591 0.000 2.885 33 H HA 0.187 4.743 4.556 -0.000 0.000 0.260 33 H C 1.772 176.512 175.328 -0.980 0.000 0.985 33 H CA -0.319 55.125 56.048 -1.006 0.000 1.210 33 H CB -0.192 28.488 29.762 -1.802 0.000 1.466 33 H HN 0.019 nan 8.280 nan 0.000 0.493 34 I N 2.812 123.097 120.570 -0.475 0.000 2.181 34 I HA -0.351 3.819 4.170 -0.000 0.000 0.247 34 I C 2.738 178.896 176.117 0.069 0.000 1.081 34 I CA 1.623 62.893 61.300 -0.050 0.000 1.340 34 I CB -0.187 37.832 38.000 0.031 0.000 1.036 34 I HN 0.112 nan 8.210 nan 0.000 0.417 35 R N 0.538 121.033 120.500 -0.009 0.000 2.081 35 R HA -0.156 4.184 4.340 -0.000 0.000 0.235 35 R C 1.788 178.162 176.300 0.123 0.000 1.131 35 R CA 2.203 58.337 56.100 0.057 0.000 0.960 35 R CB -0.913 29.366 30.300 -0.035 0.000 0.856 35 R HN 0.373 nan 8.270 nan 0.000 0.436 36 D N -0.343 120.066 120.400 0.016 0.000 2.123 36 D HA -0.147 4.493 4.640 -0.000 0.000 0.200 36 D C 1.656 178.104 176.300 0.247 0.000 0.976 36 D CA 0.975 55.025 54.000 0.083 0.000 0.831 36 D CB -0.352 40.452 40.800 0.006 0.000 0.974 36 D HN 0.316 nan 8.370 nan 0.000 0.469 37 W N 0.441 121.834 121.300 0.154 0.000 2.358 37 W HA -0.098 4.562 4.660 -0.000 0.000 0.303 37 W C 2.321 178.936 176.519 0.161 0.000 1.208 37 W CA -0.250 57.173 57.345 0.129 0.000 1.274 37 W CB -1.538 27.987 29.460 0.108 0.000 1.138 37 W HN 0.159 nan 8.180 nan 0.000 0.515 38 W N 1.170 122.633 121.300 0.272 0.000 2.388 38 W HA -0.158 4.502 4.660 -0.000 0.000 0.294 38 W C 2.499 179.097 176.519 0.132 0.000 1.212 38 W CA 2.300 59.751 57.345 0.177 0.000 1.271 38 W CB -0.349 29.183 29.460 0.121 0.000 1.126 38 W HN -0.041 nan 8.180 nan 0.000 0.535 39 E N 0.221 120.656 120.200 0.392 0.000 2.047 39 E HA -0.246 4.104 4.350 -0.000 0.000 0.191 39 E C 2.020 178.668 176.600 0.080 0.000 0.987 39 E CA 1.719 58.264 56.400 0.243 0.000 0.799 39 E CB -0.255 29.583 29.700 0.230 0.000 0.752 39 E HN 0.456 nan 8.360 nan 0.000 0.449 40 E N -0.569 119.699 120.200 0.114 0.000 2.482 40 E HA 0.012 4.362 4.350 -0.000 0.000 0.196 40 E C 0.805 177.418 176.600 0.021 0.000 1.047 40 E CA 0.567 57.011 56.400 0.073 0.000 0.869 40 E CB 0.201 29.967 29.700 0.111 0.000 0.836 40 E HN 0.300 nan 8.360 nan 0.000 0.520 41 G N 1.334 110.118 108.800 -0.026 0.000 2.298 41 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.287 41 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.287 41 G C -0.312 174.591 174.900 0.004 0.000 1.075 41 G CA 0.467 45.511 45.100 -0.094 0.000 0.960 41 G HN 0.362 nan 8.290 nan 0.000 0.502 42 V N 0.005 119.957 119.914 0.063 0.000 2.735 42 V HA 0.837 4.957 4.120 -0.000 0.000 0.310 42 V C -0.390 175.724 176.094 0.033 0.000 1.061 42 V CA -1.527 60.804 62.300 0.051 0.000 0.913 42 V CB 1.870 33.699 31.823 0.010 0.000 1.005 42 V HN 0.709 nan 8.190 nan 0.000 0.428 43 F N 8.733 128.635 119.950 -0.081 0.000 2.410 43 F HA 0.679 5.206 4.527 -0.000 0.000 0.349 43 F C -1.844 173.771 175.800 -0.309 0.000 1.117 43 F CA -2.350 55.576 58.000 -0.123 0.000 1.104 43 F CB 1.750 40.732 39.000 -0.031 0.000 1.122 43 F HN 0.397 nan 8.300 nan 0.000 0.483 44 P HA 0.036 nan 4.420 nan 0.000 0.263 44 P C 0.669 177.471 177.300 -0.830 0.000 1.601 44 P CA 0.074 62.478 63.100 -1.160 0.000 1.161 44 P CB 0.122 30.685 31.700 -1.896 0.000 1.730 45 T N 0.096 114.463 114.554 -0.311 0.000 2.803 45 T HA -0.260 4.090 4.350 -0.000 0.000 0.269 45 T C 1.629 176.192 174.700 -0.227 0.000 1.052 45 T CA 1.746 63.765 62.100 -0.135 0.000 1.136 45 T CB -1.515 67.352 68.868 -0.000 0.000 0.864 45 T HN 0.527 nan 8.240 nan 0.000 0.467 46 H N 0.173 119.062 119.070 -0.302 0.000 2.518 46 H HA 0.125 4.681 4.556 0.000 0.000 0.292 46 H C 1.792 176.942 175.328 -0.296 0.000 1.068 46 H CA 0.607 56.511 56.048 -0.241 0.000 1.275 46 H CB -0.401 29.244 29.762 -0.195 0.000 1.375 46 H HN 0.247 nan 8.280 nan 0.000 0.563 47 L N 0.460 121.107 121.223 -0.959 0.000 2.446 47 L HA 0.125 4.465 4.340 -0.000 0.000 0.219 47 L C 2.014 178.205 176.870 -1.131 0.000 1.116 47 L CA 0.570 54.784 54.840 -1.044 0.000 0.844 47 L CB -0.380 40.953 42.059 -1.209 0.000 0.970 47 L HN 0.451 nan 8.230 nan 0.000 0.457 48 I N 0.397 120.528 120.570 -0.731 0.000 2.179 48 I HA -0.227 3.943 4.170 -0.000 0.000 0.242 48 I C -0.388 175.629 176.117 -0.166 0.000 1.088 48 I CA 1.311 62.356 61.300 -0.424 0.000 1.357 48 I CB -1.273 36.585 38.000 -0.236 0.000 1.051 48 I HN 0.211 nan 8.210 nan 0.000 0.409 49 P HA -0.085 nan 4.420 nan 0.000 0.221 49 P C 1.352 178.583 177.300 -0.114 0.000 1.150 49 P CA 1.011 64.069 63.100 -0.070 0.000 0.800 49 P CB -0.018 31.650 31.700 -0.054 0.000 0.787 50 R N -1.503 118.869 120.500 -0.214 0.000 2.090 50 R HA 0.031 4.371 4.340 -0.000 0.000 0.228 50 R C 2.014 178.136 176.300 -0.298 0.000 1.110 50 R CA 1.057 57.000 56.100 -0.262 0.000 0.973 50 R CB -1.343 28.857 30.300 -0.168 0.000 0.869 50 R HN 0.252 nan 8.270 nan 0.000 0.440 51 F N 1.305 121.150 119.950 -0.175 0.000 2.113 51 F HA -0.011 4.516 4.527 -0.000 0.000 0.297 51 F C 2.623 178.304 175.800 -0.197 0.000 1.103 51 F CA 0.454 58.332 58.000 -0.203 0.000 1.248 51 F CB -1.377 37.775 39.000 0.254 0.000 0.999 51 F HN 0.028 nan 8.300 nan 0.000 0.475 52 A N 0.041 122.956 122.820 0.159 0.000 1.892 52 A HA -0.259 4.061 4.320 -0.000 0.000 0.218 52 A C 2.154 179.726 177.584 -0.019 0.000 1.188 52 A CA 2.069 54.167 52.037 0.101 0.000 0.631 52 A CB -1.026 18.032 19.000 0.097 0.000 0.822 52 A HN 0.411 nan 8.150 nan 0.000 0.447 53 E N -0.958 119.179 120.200 -0.104 0.000 2.204 53 E HA -0.132 4.218 4.350 -0.000 0.000 0.195 53 E C 1.432 177.906 176.600 -0.211 0.000 0.990 53 E CA 0.980 57.293 56.400 -0.145 0.000 0.821 53 E CB -0.148 29.449 29.700 -0.172 0.000 0.750 53 E HN 0.513 nan 8.360 nan 0.000 0.477 54 L N -1.064 119.930 121.223 -0.382 0.000 2.558 54 L HA 0.183 4.523 4.340 -0.000 0.000 0.225 54 L C 1.302 178.081 176.870 -0.150 0.000 1.128 54 L CA 0.782 55.350 54.840 -0.453 0.000 0.868 54 L CB 0.348 41.746 42.059 -1.102 0.000 1.006 54 L HN 0.213 nan 8.230 nan 0.000 0.454 55 G N -1.681 107.098 108.800 -0.035 0.000 2.137 55 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.237 55 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.237 55 G C 0.713 175.815 174.900 0.337 0.000 1.002 55 G CA 0.137 45.316 45.100 0.130 0.000 0.702 55 G HN 0.154 nan 8.290 nan 0.000 0.515 56 F N -0.546 119.462 119.950 0.097 0.000 2.456 56 F HA 0.297 4.824 4.527 -0.000 0.000 0.298 56 F C 1.509 177.375 175.800 0.110 0.000 1.104 56 F CA -0.287 57.777 58.000 0.107 0.000 1.435 56 F CB -0.196 38.857 39.000 0.088 0.000 1.078 56 F HN 0.110 nan 8.300 nan 0.000 0.546 57 L N 0.083 121.492 121.223 0.310 0.000 2.268 57 L HA 0.425 4.765 4.340 -0.000 0.000 0.289 57 L C 1.043 177.952 176.870 0.065 0.000 1.064 57 L CA -0.499 54.456 54.840 0.190 0.000 0.824 57 L CB 0.125 42.317 42.059 0.222 0.000 1.202 57 L HN 0.332 nan 8.230 nan 0.000 0.433 58 G N 4.622 113.397 108.800 -0.042 0.000 2.314 58 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.292 58 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.292 58 G C -1.080 173.743 174.900 -0.129 0.000 1.059 58 G CA 0.074 45.092 45.100 -0.137 0.000 0.982 58 G HN 0.543 nan 8.290 nan 0.000 0.505 59 P HA -0.199 nan 4.420 nan 0.000 0.216 59 P C 1.964 179.213 177.300 -0.085 0.000 1.150 59 P CA 2.268 65.341 63.100 -0.045 0.000 0.843 59 P CB -0.242 31.477 31.700 0.030 0.000 0.787 60 T N -3.414 111.035 114.554 -0.174 0.000 3.088 60 T HA 0.086 4.436 4.350 -0.000 0.000 0.259 60 T C 1.132 175.729 174.700 -0.172 0.000 1.122 60 T CA -0.069 61.944 62.100 -0.144 0.000 1.095 60 T CB -0.802 67.969 68.868 -0.161 0.000 0.930 60 T HN -0.056 nan 8.240 nan 0.000 0.508 61 L N 1.720 122.810 121.223 -0.222 0.000 2.473 61 L HA 0.301 4.641 4.340 -0.000 0.000 0.268 61 L C -2.230 174.548 176.870 -0.153 0.000 1.215 61 L CA -2.233 52.421 54.840 -0.310 0.000 0.823 61 L CB 0.004 41.856 42.059 -0.345 0.000 1.099 61 L HN -0.013 nan 8.230 nan 0.000 0.483 62 P HA 0.064 nan 4.420 nan 0.000 0.267 62 P C -2.081 175.247 177.300 0.047 0.000 1.205 62 P CA -0.965 62.153 63.100 0.029 0.000 0.765 62 P CB 0.284 32.083 31.700 0.165 0.000 0.828 63 P HA -0.218 nan 4.420 nan 0.000 0.220 63 P C 1.002 178.289 177.300 -0.022 0.000 1.144 63 P CA 1.457 64.558 63.100 0.002 0.000 0.800 63 P CB -0.185 31.511 31.700 -0.006 0.000 0.772 64 E N -1.555 118.605 120.200 -0.068 0.000 2.118 64 E HA -0.208 4.142 4.350 -0.000 0.000 0.195 64 E C 0.873 177.294 176.600 -0.298 0.000 0.992 64 E CA 1.195 57.459 56.400 -0.226 0.000 0.804 64 E CB -0.642 28.825 29.700 -0.388 0.000 0.741 64 E HN 0.448 nan 8.360 nan 0.000 0.458 65 Y N -0.477 119.837 120.300 0.023 0.000 2.493 65 Y HA 0.289 4.839 4.550 -0.000 0.000 0.275 65 Y C 1.369 177.277 175.900 0.013 0.000 1.183 65 Y CA 0.292 58.410 58.100 0.030 0.000 1.258 65 Y CB 0.992 39.489 38.460 0.062 0.000 1.108 65 Y HN 0.133 nan 8.280 nan 0.000 0.521 66 G N -0.393 108.461 108.800 0.091 0.000 2.141 66 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.231 66 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.231 66 G C 0.560 175.492 174.900 0.053 0.000 0.984 66 G CA -0.173 44.965 45.100 0.063 0.000 0.660 66 G HN 0.715 nan 8.290 nan 0.000 0.525 67 G N -1.063 107.765 108.800 0.047 0.000 2.451 67 G HA2 0.704 4.664 3.960 -0.000 0.000 0.303 67 G HA3 0.704 4.664 3.960 -0.000 0.000 0.303 67 G C 1.067 175.971 174.900 0.007 0.000 1.166 67 G CA 0.354 45.461 45.100 0.011 0.000 0.884 67 G HN 1.242 nan 8.290 nan 0.000 0.514 68 A N 0.018 122.841 122.820 0.006 0.000 2.167 68 A HA 0.388 4.708 4.320 -0.000 0.000 0.214 68 A C 2.165 179.752 177.584 0.004 0.000 1.151 68 A CA 1.374 53.421 52.037 0.017 0.000 0.735 68 A CB -0.660 18.365 19.000 0.042 0.000 0.802 68 A HN 2.325 nan 8.150 nan 0.000 0.467 69 G N -0.276 108.513 108.800 -0.018 0.000 2.296 69 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.282 69 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.282 69 G C 0.510 175.403 174.900 -0.012 0.000 1.014 69 G CA 0.911 45.998 45.100 -0.022 0.000 0.812 69 G HN 1.675 nan 8.290 nan 0.000 0.508 70 V N -2.261 117.649 119.914 -0.006 0.000 3.403 70 V HA 0.894 5.014 4.120 -0.000 0.000 0.305 70 V C 1.151 177.242 176.094 -0.004 0.000 1.060 70 V CA 0.021 62.325 62.300 0.006 0.000 1.053 70 V CB 1.201 33.039 31.823 0.026 0.000 1.198 70 V HN 1.331 nan 8.190 nan 0.000 0.447 71 S N 0.538 116.240 115.700 0.003 0.000 2.608 71 S HA 0.172 4.642 4.470 -0.000 0.000 0.261 71 S C 1.100 175.706 174.600 0.011 0.000 1.314 71 S CA 0.346 58.543 58.200 -0.004 0.000 0.992 71 S CB 0.769 63.971 63.200 0.003 0.000 0.935 71 S HN 0.900 nan 8.310 nan 0.000 0.564 72 S N 0.889 116.582 115.700 -0.011 0.000 2.406 72 S HA 0.022 4.492 4.470 -0.000 0.000 0.228 72 S C 2.265 176.946 174.600 0.135 0.000 1.020 72 S CA 0.798 59.010 58.200 0.020 0.000 0.965 72 S CB -1.020 62.029 63.200 -0.253 0.000 0.798 72 S HN 0.869 nan 8.310 nan 0.000 0.488 73 A N 1.868 124.708 122.820 0.033 0.000 1.883 73 A HA 0.004 4.324 4.320 -0.000 0.000 0.217 73 A C 2.369 179.756 177.584 -0.328 0.000 1.186 73 A CA 1.825 53.789 52.037 -0.121 0.000 0.624 73 A CB -1.176 17.830 19.000 0.010 0.000 0.822 73 A HN 0.518 nan 8.150 nan 0.000 0.444 74 A N -1.490 121.250 122.820 -0.133 0.000 1.908 74 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 74 A C 2.160 179.675 177.584 -0.116 0.000 1.181 74 A CA 1.794 53.763 52.037 -0.114 0.000 0.627 74 A CB -0.825 18.167 19.000 -0.015 0.000 0.818 74 A HN 0.817 nan 8.150 nan 0.000 0.445 75 Y N 1.102 121.305 120.300 -0.163 0.000 2.352 75 Y HA 0.010 4.560 4.550 -0.000 0.000 0.292 75 Y C 2.256 178.000 175.900 -0.260 0.000 1.136 75 Y CA 0.890 58.913 58.100 -0.129 0.000 1.227 75 Y CB -0.852 37.611 38.460 0.005 0.000 0.991 75 Y HN 0.179 nan 8.280 nan 0.000 0.545 76 G N 0.157 108.537 108.800 -0.700 0.000 2.394 76 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.215 76 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.215 76 G C 1.644 175.939 174.900 -1.008 0.000 1.165 76 G CA 0.889 45.093 45.100 -1.493 0.000 0.784 76 G HN 0.447 nan 8.290 nan 0.000 0.535 77 L N 0.591 121.326 121.223 -0.814 0.000 2.217 77 L HA 0.069 4.409 4.340 -0.000 0.000 0.211 77 L C 2.693 179.465 176.870 -0.163 0.000 1.107 77 L CA 0.615 55.235 54.840 -0.366 0.000 0.783 77 L CB -0.288 41.599 42.059 -0.288 0.000 0.919 77 L HN 0.441 nan 8.230 nan 0.000 0.442 78 I N -3.567 116.844 120.570 -0.266 0.000 2.286 78 I HA -0.177 3.993 4.170 -0.000 0.000 0.245 78 I C 2.449 178.382 176.117 -0.307 0.000 1.104 78 I CA 1.220 62.302 61.300 -0.362 0.000 1.397 78 I CB -0.829 36.808 38.000 -0.605 0.000 1.072 78 I HN 0.046 nan 8.210 nan 0.000 0.417 79 C N 0.457 119.586 119.300 -0.284 0.000 2.429 79 C HA -0.171 4.289 4.460 -0.000 0.000 0.277 79 C C 2.706 177.669 174.990 -0.046 0.000 1.262 79 C CA 1.152 60.051 59.018 -0.198 0.000 1.733 79 C CB -1.423 26.140 27.740 -0.296 0.000 2.010 79 C HN 0.687 nan 8.230 nan 0.000 0.483 80 Y N 2.124 122.374 120.300 -0.084 0.000 2.053 80 Y HA -0.227 4.324 4.550 0.000 0.000 0.277 80 Y C 2.520 178.431 175.900 0.018 0.000 1.159 80 Y CA 2.071 60.195 58.100 0.040 0.000 1.125 80 Y CB -0.300 38.243 38.460 0.139 0.000 0.969 80 Y HN 0.270 nan 8.280 nan 0.000 0.492 81 E N 0.309 120.615 120.200 0.175 0.000 2.110 81 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 81 E C 2.383 178.992 176.600 0.015 0.000 0.988 81 E CA 1.262 57.724 56.400 0.103 0.000 0.804 81 E CB -0.555 29.232 29.700 0.145 0.000 0.745 81 E HN 0.555 nan 8.360 nan 0.000 0.458 82 L N 0.503 121.711 121.223 -0.026 0.000 1.994 82 L HA -0.211 4.128 4.340 -0.000 0.000 0.208 82 L C 2.600 179.491 176.870 0.035 0.000 1.071 82 L CA 1.485 56.324 54.840 -0.002 0.000 0.745 82 L CB -0.264 41.754 42.059 -0.069 0.000 0.892 82 L HN 0.100 nan 8.230 nan 0.000 0.431 83 E N 0.070 120.269 120.200 -0.002 0.000 2.150 83 E HA -0.261 4.089 4.350 -0.000 0.000 0.193 83 E C 2.248 178.850 176.600 0.003 0.000 0.985 83 E CA 0.845 57.258 56.400 0.022 0.000 0.814 83 E CB 0.002 29.688 29.700 -0.024 0.000 0.752 83 E HN 0.176 nan 8.360 nan 0.000 0.466 84 R N -0.336 120.093 120.500 -0.119 0.000 2.139 84 R HA -0.157 4.183 4.340 -0.000 0.000 0.243 84 R C 1.699 177.992 176.300 -0.011 0.000 1.145 84 R CA 1.541 57.544 56.100 -0.163 0.000 0.976 84 R CB -0.020 30.162 30.300 -0.198 0.000 0.866 84 R HN 0.137 nan 8.270 nan 0.000 0.449 85 V N -0.506 119.434 119.914 0.044 0.000 2.341 85 V HA 0.032 4.152 4.120 -0.000 0.000 0.240 85 V C 0.735 176.879 176.094 0.084 0.000 1.035 85 V CA 1.404 63.729 62.300 0.042 0.000 1.033 85 V CB -0.064 31.791 31.823 0.052 0.000 0.678 85 V HN 0.397 nan 8.190 nan 0.000 0.464 86 D N -1.876 118.607 120.400 0.138 0.000 2.812 86 D HA 0.113 4.753 4.640 -0.000 0.000 0.210 86 D C 0.352 176.772 176.300 0.199 0.000 1.260 86 D CA 0.057 54.133 54.000 0.127 0.000 0.817 86 D CB 2.122 43.009 40.800 0.144 0.000 1.694 86 D HN 0.003 nan 8.370 nan 0.000 0.530 87 S N 1.448 117.269 115.700 0.202 0.000 2.420 87 S HA -0.119 4.351 4.470 -0.000 0.000 0.237 87 S C 1.812 176.585 174.600 0.287 0.000 1.023 87 S CA 1.415 59.747 58.200 0.219 0.000 0.991 87 S CB -0.015 63.302 63.200 0.195 0.000 0.792 87 S HN 0.656 nan 8.310 nan 0.000 0.488 88 G N 1.618 110.623 108.800 0.342 0.000 2.408 88 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.217 88 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.217 88 G C 1.289 176.522 174.900 0.555 0.000 1.150 88 G CA 0.463 45.825 45.100 0.437 0.000 0.776 88 G HN 0.457 nan 8.290 nan 0.000 0.542 89 L N -0.267 121.253 121.223 0.494 0.000 2.093 89 L HA 0.020 4.360 4.340 -0.000 0.000 0.208 89 L C 2.950 180.063 176.870 0.405 0.000 1.085 89 L CA 0.779 55.945 54.840 0.544 0.000 0.755 89 L CB -0.398 41.895 42.059 0.391 0.000 0.904 89 L HN 0.112 nan 8.230 nan 0.000 0.435 90 R N 0.243 120.903 120.500 0.268 0.000 2.115 90 R HA -0.080 4.260 4.340 -0.000 0.000 0.226 90 R C 2.240 178.665 176.300 0.208 0.000 1.100 90 R CA 1.404 57.603 56.100 0.166 0.000 0.980 90 R CB -0.237 30.129 30.300 0.109 0.000 0.875 90 R HN 0.248 nan 8.270 nan 0.000 0.445 91 S N 0.687 116.552 115.700 0.275 0.000 2.368 91 S HA -0.149 4.321 4.470 -0.000 0.000 0.225 91 S C 1.529 176.238 174.600 0.183 0.000 1.030 91 S CA 1.363 59.704 58.200 0.235 0.000 0.999 91 S CB -0.428 62.953 63.200 0.301 0.000 0.844 91 S HN 0.418 nan 8.310 nan 0.000 0.459 92 F N 2.466 122.505 119.950 0.148 0.000 2.095 92 F HA -0.156 4.371 4.527 0.000 0.000 0.298 92 F C 2.094 177.981 175.800 0.145 0.000 1.104 92 F CA 1.224 59.280 58.000 0.094 0.000 1.232 92 F CB -0.421 38.691 39.000 0.187 0.000 0.987 92 F HN -0.033 nan 8.300 nan 0.000 0.475 93 V N -0.514 119.565 119.914 0.274 0.000 2.490 93 V HA -0.266 3.854 4.120 -0.000 0.000 0.250 93 V C 2.390 178.533 176.094 0.082 0.000 1.061 93 V CA 1.954 64.356 62.300 0.170 0.000 1.064 93 V CB -0.929 31.000 31.823 0.176 0.000 0.670 93 V HN 0.356 nan 8.190 nan 0.000 0.461 94 S N -0.054 115.694 115.700 0.080 0.000 2.368 94 S HA -0.139 4.331 4.470 -0.000 0.000 0.224 94 S C 2.044 176.621 174.600 -0.038 0.000 1.029 94 S CA 1.418 59.662 58.200 0.074 0.000 0.988 94 S CB -0.161 63.056 63.200 0.028 0.000 0.838 94 S HN 0.389 nan 8.310 nan 0.000 0.462 95 V N 1.786 121.632 119.914 -0.113 0.000 2.237 95 V HA -0.228 3.892 4.120 -0.000 0.000 0.245 95 V C 2.606 178.612 176.094 -0.146 0.000 1.046 95 V CA 2.134 64.344 62.300 -0.149 0.000 1.007 95 V CB -0.800 30.921 31.823 -0.169 0.000 0.638 95 V HN 0.388 nan 8.190 nan 0.000 0.445 96 Q N 0.196 119.836 119.800 -0.268 0.000 2.096 96 Q HA -0.173 4.167 4.340 -0.000 0.000 0.204 96 Q C 2.259 178.212 176.000 -0.079 0.000 0.982 96 Q CA 2.483 58.157 55.803 -0.215 0.000 0.850 96 Q CB -0.236 28.297 28.738 -0.342 0.000 0.901 96 Q HN 0.669 nan 8.270 nan 0.000 0.422 97 S N -1.034 114.626 115.700 -0.066 0.000 2.356 97 S HA 0.033 4.503 4.470 -0.000 0.000 0.219 97 S C 1.889 176.452 174.600 -0.061 0.000 1.036 97 S CA 0.962 59.109 58.200 -0.089 0.000 0.965 97 S CB -0.006 63.083 63.200 -0.185 0.000 0.864 97 S HN 0.312 nan 8.310 nan 0.000 0.471 98 S N 0.846 116.527 115.700 -0.031 0.000 2.503 98 S HA 0.347 4.817 4.470 -0.000 0.000 0.215 98 S C 1.314 175.918 174.600 0.007 0.000 1.003 98 S CA 0.120 58.307 58.200 -0.022 0.000 0.910 98 S CB 0.082 63.264 63.200 -0.030 0.000 0.790 98 S HN 0.279 nan 8.310 nan 0.000 0.514 99 L N 0.306 121.512 121.223 -0.029 0.000 2.664 99 L HA 0.303 4.643 4.340 -0.000 0.000 0.233 99 L C 1.055 178.085 176.870 0.266 0.000 1.113 99 L CA 0.118 54.935 54.840 -0.038 0.000 0.896 99 L CB 0.351 42.196 42.059 -0.358 0.000 1.163 99 L HN 0.154 nan 8.230 nan 0.000 0.497 100 V N -1.628 118.384 119.914 0.164 0.000 3.278 100 V HA 0.036 4.156 4.120 -0.000 0.000 0.215 100 V C 2.008 178.166 176.094 0.107 0.000 1.287 100 V CA 0.201 62.587 62.300 0.143 0.000 1.302 100 V CB 0.203 32.058 31.823 0.052 0.000 1.228 100 V HN 0.099 nan 8.190 nan 0.000 0.523 101 M N -0.361 119.278 119.600 0.066 0.000 2.073 101 M HA -0.258 4.222 4.480 -0.000 0.000 0.258 101 M C 2.268 178.609 176.300 0.069 0.000 1.070 101 M CA 2.712 58.040 55.300 0.046 0.000 1.103 101 M CB -0.574 32.027 32.600 0.001 0.000 1.321 101 M HN 0.550 nan 8.290 nan 0.000 0.405 102 Y N 1.687 121.981 120.300 -0.010 0.000 2.053 102 Y HA -0.195 4.355 4.550 -0.000 0.000 0.277 102 Y C -0.688 175.245 175.900 0.055 0.000 1.159 102 Y CA 2.243 60.347 58.100 0.006 0.000 1.125 102 Y CB -1.826 36.627 38.460 -0.012 0.000 0.969 102 Y HN 0.130 nan 8.280 nan 0.000 0.492 103 P HA -0.212 nan 4.420 nan 0.000 0.216 103 P C 1.785 179.072 177.300 -0.020 0.000 1.150 103 P CA 2.105 65.260 63.100 0.092 0.000 0.837 103 P CB -0.209 31.797 31.700 0.510 0.000 0.786 104 I N -1.807 118.763 120.570 -0.000 0.000 2.252 104 I HA -0.255 3.915 4.170 -0.000 0.000 0.245 104 I C 2.764 178.813 176.117 -0.112 0.000 1.102 104 I CA 1.434 62.725 61.300 -0.015 0.000 1.385 104 I CB -0.678 37.347 38.000 0.040 0.000 1.064 104 I HN -0.122 nan 8.210 nan 0.000 0.414 105 Y N 1.465 121.580 120.300 -0.309 0.000 2.163 105 Y HA -0.206 4.344 4.550 -0.000 0.000 0.288 105 Y C 2.445 178.060 175.900 -0.476 0.000 1.136 105 Y CA 1.554 59.404 58.100 -0.416 0.000 1.147 105 Y CB -0.253 37.976 38.460 -0.385 0.000 0.987 105 Y HN 0.095 nan 8.280 nan 0.000 0.509 106 A N -1.539 120.872 122.820 -0.681 0.000 1.970 106 A HA -0.049 4.271 4.320 -0.000 0.000 0.216 106 A C 1.075 178.117 177.584 -0.903 0.000 1.170 106 A CA 1.385 52.828 52.037 -0.990 0.000 0.645 106 A CB -0.672 17.386 19.000 -1.569 0.000 0.816 106 A HN 0.590 nan 8.150 nan 0.000 0.447 107 Y N -1.022 119.141 120.300 -0.227 0.000 2.527 107 Y HA 0.369 4.919 4.550 -0.000 0.000 0.247 107 Y C 1.451 177.273 175.900 -0.131 0.000 1.138 107 Y CA -0.840 57.175 58.100 -0.141 0.000 1.228 107 Y CB -0.407 38.016 38.460 -0.062 0.000 1.252 107 Y HN 0.219 nan 8.280 nan 0.000 0.531 108 G N 0.678 109.447 108.800 -0.053 0.000 2.562 108 G HA2 0.388 4.348 3.960 -0.000 0.000 0.275 108 G HA3 0.388 4.348 3.960 -0.000 0.000 0.275 108 G C 0.153 175.020 174.900 -0.055 0.000 1.196 108 G CA -0.215 44.862 45.100 -0.037 0.000 0.908 108 G HN 0.201 nan 8.290 nan 0.000 0.524 109 S N -0.771 114.917 115.700 -0.021 0.000 2.624 109 S HA 0.168 4.638 4.470 -0.000 0.000 0.263 109 S C 1.112 175.697 174.600 -0.025 0.000 1.287 109 S CA 0.034 58.222 58.200 -0.020 0.000 0.990 109 S CB 1.629 64.829 63.200 -0.000 0.000 0.950 109 S HN 0.597 nan 8.310 nan 0.000 0.561 110 E N 0.452 120.644 120.200 -0.013 0.000 2.204 110 E HA -0.157 4.193 4.350 -0.000 0.000 0.194 110 E C 1.836 178.449 176.600 0.022 0.000 0.989 110 E CA 1.655 58.066 56.400 0.018 0.000 0.824 110 E CB -0.259 29.456 29.700 0.026 0.000 0.756 110 E HN 0.850 nan 8.360 nan 0.000 0.477 111 E N -0.231 119.965 120.200 -0.006 0.000 2.107 111 E HA -0.203 4.147 4.350 -0.000 0.000 0.191 111 E C 1.867 178.416 176.600 -0.084 0.000 0.982 111 E CA 0.853 57.231 56.400 -0.038 0.000 0.809 111 E CB 0.006 29.684 29.700 -0.036 0.000 0.756 111 E HN 0.372 nan 8.360 nan 0.000 0.459 112 Q N 0.322 120.102 119.800 -0.033 0.000 2.123 112 Q HA -0.095 4.245 4.340 -0.000 0.000 0.199 112 Q C 2.163 178.182 176.000 0.032 0.000 0.966 112 Q CA 1.160 56.973 55.803 0.016 0.000 0.845 112 Q CB 0.056 28.887 28.738 0.156 0.000 0.907 112 Q HN 0.159 nan 8.270 nan 0.000 0.439 113 K N 0.656 121.064 120.400 0.012 0.000 2.026 113 K HA -0.102 4.218 4.320 -0.000 0.000 0.208 113 K C 2.128 178.806 176.600 0.129 0.000 1.048 113 K CA 1.075 57.356 56.287 -0.011 0.000 0.929 113 K CB -0.078 32.314 32.500 -0.179 0.000 0.713 113 K HN 0.121 nan 8.250 nan 0.000 0.439 114 R N 0.799 121.389 120.500 0.150 0.000 2.115 114 R HA -0.125 4.215 4.340 -0.000 0.000 0.230 114 R C 2.305 178.598 176.300 -0.011 0.000 1.111 114 R CA 1.112 57.290 56.100 0.130 0.000 0.976 114 R CB -0.115 30.220 30.300 0.058 0.000 0.870 114 R HN 0.378 nan 8.270 nan 0.000 0.445 115 E N -0.022 120.075 120.200 -0.173 0.000 2.046 115 E HA -0.136 4.214 4.350 -0.000 0.000 0.190 115 E C 1.151 177.509 176.600 -0.403 0.000 0.982 115 E CA 1.119 57.273 56.400 -0.409 0.000 0.800 115 E CB 0.141 29.381 29.700 -0.768 0.000 0.756 115 E HN 0.173 nan 8.360 nan 0.000 0.449 116 F N 0.171 120.140 119.950 0.031 0.000 2.419 116 F HA 0.144 4.671 4.527 0.000 0.000 0.283 116 F C 2.103 177.927 175.800 0.040 0.000 1.044 116 F CA 0.097 58.111 58.000 0.024 0.000 1.376 116 F CB -0.646 38.360 39.000 0.010 0.000 1.131 116 F HN -0.047 nan 8.300 nan 0.000 0.585 117 L N 0.516 121.879 121.223 0.233 0.000 2.034 117 L HA -0.223 4.117 4.340 -0.000 0.000 0.217 117 L C -0.478 176.484 176.870 0.152 0.000 1.077 117 L CA 1.886 56.825 54.840 0.166 0.000 0.769 117 L CB -2.062 40.078 42.059 0.135 0.000 0.890 117 L HN 0.109 nan 8.230 nan 0.000 0.435 118 P HA -0.136 nan 4.420 nan 0.000 0.217 118 P C 1.348 178.703 177.300 0.091 0.000 1.151 118 P CA 1.298 64.462 63.100 0.107 0.000 0.828 118 P CB 0.051 31.800 31.700 0.082 0.000 0.788 119 K N -0.751 119.709 120.400 0.100 0.000 2.155 119 K HA 0.007 4.327 4.320 -0.000 0.000 0.203 119 K C 1.995 178.660 176.600 0.108 0.000 1.052 119 K CA 0.960 57.300 56.287 0.089 0.000 0.948 119 K CB -0.528 32.026 32.500 0.090 0.000 0.728 119 K HN 0.166 nan 8.250 nan 0.000 0.448 120 L N 0.468 121.768 121.223 0.129 0.000 2.072 120 L HA -0.100 4.240 4.340 -0.000 0.000 0.205 120 L C 2.568 179.513 176.870 0.125 0.000 1.079 120 L CA 0.959 55.875 54.840 0.126 0.000 0.752 120 L CB -0.543 41.581 42.059 0.109 0.000 0.906 120 L HN 0.156 nan 8.230 nan 0.000 0.436 121 A N 0.170 123.055 122.820 0.108 0.000 1.972 121 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 121 A C 2.136 179.784 177.584 0.107 0.000 1.169 121 A CA 1.274 53.371 52.037 0.100 0.000 0.635 121 A CB -0.381 18.668 19.000 0.082 0.000 0.810 121 A HN 0.374 nan 8.150 nan 0.000 0.446 122 R N -1.058 119.502 120.500 0.099 0.000 2.426 122 R HA 0.239 4.579 4.340 -0.000 0.000 0.263 122 R C 1.024 177.387 176.300 0.105 0.000 0.961 122 R CA 0.368 56.518 56.100 0.084 0.000 1.086 122 R CB -0.148 30.186 30.300 0.057 0.000 1.186 122 R HN 0.552 nan 8.270 nan 0.000 0.537 123 G N 2.266 111.161 108.800 0.157 0.000 2.321 123 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.287 123 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.287 123 G C 0.543 175.535 174.900 0.152 0.000 1.018 123 G CA 1.035 46.258 45.100 0.206 0.000 0.855 123 G HN 0.571 nan 8.290 nan 0.000 0.507 124 E N -1.266 119.001 120.200 0.112 0.000 2.364 124 E HA 0.305 4.655 4.350 -0.000 0.000 0.196 124 E C 1.168 177.784 176.600 0.027 0.000 0.990 124 E CA 0.055 56.492 56.400 0.062 0.000 0.886 124 E CB 0.111 29.833 29.700 0.037 0.000 0.866 124 E HN 0.573 nan 8.360 nan 0.000 0.493 125 M N 2.078 121.724 119.600 0.078 0.000 2.122 125 M HA 0.235 4.715 4.480 -0.000 0.000 0.269 125 M C -1.690 174.762 176.300 0.253 0.000 0.954 125 M CA -0.588 54.742 55.300 0.049 0.000 0.998 125 M CB 1.946 34.538 32.600 -0.013 0.000 1.755 125 M HN -0.081 nan 8.290 nan 0.000 0.459 126 V N 5.213 125.406 119.914 0.465 0.000 2.546 126 V HA 0.956 5.076 4.120 -0.000 0.000 0.284 126 V C 0.062 176.259 176.094 0.170 0.000 1.050 126 V CA 0.347 62.831 62.300 0.307 0.000 0.981 126 V CB 1.273 33.302 31.823 0.343 0.000 0.990 126 V HN 0.954 nan 8.190 nan 0.000 0.474 127 G N 4.310 113.139 108.800 0.047 0.000 2.644 127 G HA2 0.726 4.686 3.960 -0.000 0.000 0.307 127 G HA3 0.726 4.686 3.960 -0.000 0.000 0.307 127 G C -0.622 174.272 174.900 -0.010 0.000 1.250 127 G CA -0.187 44.913 45.100 0.000 0.000 0.996 127 G HN 1.569 nan 8.290 nan 0.000 0.489 128 C N -1.925 117.393 119.300 0.030 0.000 3.154 128 C HA 0.881 5.341 4.460 -0.000 0.000 0.312 128 C C -1.193 173.913 174.990 0.192 0.000 1.349 128 C CA -1.438 57.635 59.018 0.091 0.000 1.518 128 C CB 1.016 28.811 27.740 0.091 0.000 1.934 128 C HN 0.715 nan 8.230 nan 0.000 0.462 129 F N 1.347 121.338 119.950 0.068 0.000 2.499 129 F HA 0.656 5.183 4.527 -0.000 0.000 0.333 129 F C 0.275 176.182 175.800 0.179 0.000 1.138 129 F CA -0.167 57.922 58.000 0.148 0.000 0.945 129 F CB 1.355 40.448 39.000 0.155 0.000 1.181 129 F HN 1.068 nan 8.300 nan 0.000 0.435 130 G N 6.692 115.472 108.800 -0.034 0.000 2.800 130 G HA2 0.419 4.379 3.960 -0.000 0.000 0.340 130 G HA3 0.419 4.379 3.960 -0.000 0.000 0.340 130 G C -0.395 174.523 174.900 0.031 0.000 1.089 130 G CA -0.246 44.874 45.100 0.033 0.000 1.144 130 G HN 0.738 nan 8.290 nan 0.000 0.461 131 L N 2.119 123.386 121.223 0.073 0.000 2.519 131 L HA 0.391 4.731 4.340 -0.000 0.000 0.194 131 L C 1.417 178.354 176.870 0.112 0.000 1.072 131 L CA 0.875 55.763 54.840 0.080 0.000 0.845 131 L CB -0.055 42.045 42.059 0.068 0.000 1.138 131 L HN 0.255 nan 8.230 nan 0.000 0.487 132 T N 1.896 116.550 114.554 0.165 0.000 2.928 132 T HA 0.168 4.518 4.350 -0.000 0.000 0.305 132 T C -0.152 174.618 174.700 0.116 0.000 1.035 132 T CA 0.212 62.408 62.100 0.159 0.000 1.145 132 T CB 0.296 69.307 68.868 0.239 0.000 0.963 132 T HN 0.245 nan 8.240 nan 0.000 0.545 133 E N 2.725 122.980 120.200 0.091 0.000 2.299 133 E HA 0.251 4.601 4.350 -0.000 0.000 0.265 133 E C -1.793 174.842 176.600 0.059 0.000 0.911 133 E CA -2.426 54.001 56.400 0.046 0.000 0.789 133 E CB 1.663 31.373 29.700 0.017 0.000 1.246 133 E HN 0.213 nan 8.360 nan 0.000 0.427 134 P HA -0.176 nan 4.420 nan 0.000 0.219 134 P C 0.045 177.377 177.300 0.052 0.000 1.144 134 P CA 1.264 64.377 63.100 0.023 0.000 0.806 134 P CB 0.221 31.905 31.700 -0.026 0.000 0.771 135 D N -1.770 118.654 120.400 0.040 0.000 2.349 135 D HA 0.248 4.888 4.640 -0.000 0.000 0.215 135 D C 0.882 177.214 176.300 0.053 0.000 1.016 135 D CA 0.703 54.726 54.000 0.038 0.000 0.870 135 D CB 0.068 40.877 40.800 0.016 0.000 0.917 135 D HN 0.085 nan 8.370 nan 0.000 0.524 136 G N -0.679 108.165 108.800 0.074 0.000 2.661 136 G HA2 0.179 4.139 3.960 -0.000 0.000 0.262 136 G HA3 0.179 4.139 3.960 -0.000 0.000 0.262 136 G C 0.725 175.668 174.900 0.073 0.000 1.310 136 G CA -0.385 44.761 45.100 0.076 0.000 1.160 136 G HN 0.081 nan 8.290 nan 0.000 0.598 137 G N 0.397 109.255 108.800 0.096 0.000 2.679 137 G HA2 0.158 4.118 3.960 -0.000 0.000 0.212 137 G HA3 0.158 4.118 3.960 -0.000 0.000 0.212 137 G C 1.660 176.591 174.900 0.051 0.000 1.137 137 G CA 1.622 46.776 45.100 0.089 0.000 0.787 137 G HN 0.896 nan 8.290 nan 0.000 0.534 138 S N -0.141 115.582 115.700 0.037 0.000 2.461 138 S HA -0.004 4.466 4.470 -0.000 0.000 0.228 138 S C 0.697 175.308 174.600 0.020 0.000 1.005 138 S CA 0.378 58.591 58.200 0.022 0.000 0.942 138 S CB 0.137 63.355 63.200 0.029 0.000 0.776 138 S HN 0.366 nan 8.310 nan 0.000 0.514 139 D N 1.293 121.707 120.400 0.024 0.000 2.485 139 D HA 0.240 4.880 4.640 -0.000 0.000 0.256 139 D C -1.772 174.537 176.300 0.016 0.000 1.141 139 D CA -2.326 51.682 54.000 0.014 0.000 0.942 139 D CB 1.125 41.942 40.800 0.029 0.000 1.003 139 D HN 0.067 nan 8.370 nan 0.000 0.507 140 P HA -0.144 nan 4.420 nan 0.000 0.223 140 P C 1.091 178.413 177.300 0.036 0.000 1.151 140 P CA 0.564 63.673 63.100 0.015 0.000 0.787 140 P CB 0.278 31.974 31.700 -0.007 0.000 0.788 141 Y N 1.182 121.443 120.300 -0.065 0.000 2.301 141 Y HA 0.239 4.789 4.550 -0.000 0.000 0.295 141 Y C 2.597 178.480 175.900 -0.029 0.000 1.119 141 Y CA 1.654 59.723 58.100 -0.052 0.000 1.162 141 Y CB -0.862 37.556 38.460 -0.070 0.000 1.046 141 Y HN -0.126 nan 8.280 nan 0.000 0.538 142 G N 0.242 109.041 108.800 -0.001 0.000 2.422 142 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.218 142 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.218 142 G C 1.235 176.073 174.900 -0.103 0.000 1.146 142 G CA 0.957 46.018 45.100 -0.064 0.000 0.769 142 G HN 0.368 nan 8.290 nan 0.000 0.547 143 N N -0.027 118.634 118.700 -0.065 0.000 2.268 143 N HA 0.116 4.856 4.740 -0.000 0.000 0.204 143 N C 0.597 176.070 175.510 -0.062 0.000 1.124 143 N CA -0.158 52.863 53.050 -0.048 0.000 0.838 143 N CB 0.290 38.773 38.487 -0.005 0.000 0.994 143 N HN 0.316 nan 8.380 nan 0.000 0.489 144 M N 1.339 120.872 119.600 -0.111 0.000 2.821 144 M HA 0.086 4.566 4.480 -0.000 0.000 0.305 144 M C 0.125 176.365 176.300 -0.100 0.000 1.466 144 M CA 0.182 55.427 55.300 -0.091 0.000 1.526 144 M CB 0.001 32.535 32.600 -0.110 0.000 1.321 144 M HN -0.191 nan 8.290 nan 0.000 0.492 145 K N 1.412 121.774 120.400 -0.063 0.000 2.404 145 K HA 0.125 4.445 4.320 -0.000 0.000 0.194 145 K C -0.018 176.558 176.600 -0.041 0.000 1.023 145 K CA 0.127 56.381 56.287 -0.056 0.000 1.094 145 K CB 0.274 32.747 32.500 -0.045 0.000 0.841 145 K HN 0.522 nan 8.250 nan 0.000 0.523 146 T N 2.397 116.933 114.554 -0.031 0.000 2.779 146 T HA 0.170 4.520 4.350 -0.000 0.000 0.296 146 T C 0.145 174.837 174.700 -0.014 0.000 0.938 146 T CA -0.216 61.869 62.100 -0.025 0.000 1.119 146 T CB 0.607 69.465 68.868 -0.016 0.000 0.891 146 T HN -0.021 nan 8.240 nan 0.000 0.526 147 R N 1.696 122.185 120.500 -0.018 0.000 2.598 147 R HA 0.785 5.125 4.340 -0.000 0.000 0.279 147 R C -0.566 175.731 176.300 -0.004 0.000 0.984 147 R CA -0.852 55.252 56.100 0.006 0.000 0.999 147 R CB 1.710 32.017 30.300 0.012 0.000 1.114 147 R HN 0.681 nan 8.270 nan 0.000 0.493 148 A N 2.603 125.462 122.820 0.065 0.000 2.385 148 A HA 0.502 4.822 4.320 -0.000 0.000 0.290 148 A C -0.584 177.214 177.584 0.356 0.000 1.094 148 A CA -0.811 51.288 52.037 0.104 0.000 0.729 148 A CB 1.080 20.086 19.000 0.010 0.000 1.194 148 A HN 0.741 nan 8.150 nan 0.000 0.442 149 R N 2.258 122.951 120.500 0.322 0.000 2.534 149 R HA 0.724 5.064 4.340 -0.000 0.000 0.301 149 R C -0.389 175.941 176.300 0.051 0.000 0.961 149 R CA -0.677 55.553 56.100 0.217 0.000 0.871 149 R CB 1.556 31.902 30.300 0.077 0.000 1.170 149 R HN 0.760 nan 8.270 nan 0.000 0.446 154 T N -2.765 111.715 114.554 -0.125 0.000 2.906 154 T HA 0.728 5.078 4.350 -0.000 0.000 0.295 154 T C -0.971 173.680 174.700 -0.082 0.000 1.075 154 T CA -0.666 61.433 62.100 -0.001 0.000 1.005 154 T CB 1.788 70.667 68.868 0.020 0.000 1.136 154 T HN -0.042 nan 8.240 nan 0.000 0.498 155 W N 0.710 121.997 121.300 -0.022 0.000 2.689 155 W HA 0.664 5.324 4.660 -0.000 0.000 0.340 155 W C -0.641 175.793 176.519 -0.142 0.000 1.060 155 W CA -0.986 56.315 57.345 -0.073 0.000 1.218 155 W CB 1.820 31.217 29.460 -0.104 0.000 1.410 155 W HN 0.645 nan 8.180 nan 0.000 0.528 156 V N 5.075 125.053 119.914 0.106 0.000 2.384 156 V HA 0.544 4.664 4.120 -0.000 0.000 0.287 156 V C -1.126 174.944 176.094 -0.040 0.000 1.020 156 V CA -0.780 61.525 62.300 0.009 0.000 0.850 156 V CB 0.691 32.516 31.823 0.003 0.000 0.987 156 V HN 0.383 nan 8.190 nan 0.000 0.436 157 L N 6.842 127.999 121.223 -0.110 0.000 2.325 157 L HA 0.663 5.003 4.340 -0.000 0.000 0.278 157 L C 0.015 176.837 176.870 -0.080 0.000 1.023 157 L CA -0.022 54.726 54.840 -0.153 0.000 0.811 157 L CB 1.761 43.655 42.059 -0.275 0.000 1.249 157 L HN 0.611 nan 8.230 nan 0.000 0.431 158 N N 1.866 120.525 118.700 -0.068 0.000 2.454 158 N HA 0.791 5.531 4.740 -0.000 0.000 0.291 158 N C -0.528 174.949 175.510 -0.055 0.000 1.079 158 N CA -0.271 52.747 53.050 -0.053 0.000 0.893 158 N CB 2.621 41.085 38.487 -0.038 0.000 1.512 158 N HN 0.771 nan 8.380 nan 0.000 0.497 159 G N 0.082 108.843 108.800 -0.066 0.000 2.315 159 G HA2 0.359 4.319 3.960 -0.000 0.000 0.294 159 G HA3 0.359 4.319 3.960 -0.000 0.000 0.294 159 G C -1.720 173.128 174.900 -0.087 0.000 1.300 159 G CA -0.406 44.655 45.100 -0.064 0.000 0.843 159 G HN 0.303 nan 8.290 nan 0.000 0.527 160 T N 0.870 115.375 114.554 -0.081 0.000 2.912 160 T HA 0.695 5.045 4.350 -0.000 0.000 0.299 160 T C -1.009 173.643 174.700 -0.080 0.000 1.052 160 T CA -0.755 61.282 62.100 -0.105 0.000 0.996 160 T CB 1.953 70.758 68.868 -0.105 0.000 1.070 160 T HN 0.489 nan 8.240 nan 0.000 0.465 161 K N 2.108 122.453 120.400 -0.093 0.000 2.375 161 K HA 0.665 4.985 4.320 -0.000 0.000 0.249 161 K C -0.626 175.922 176.600 -0.088 0.000 0.942 161 K CA -0.988 55.271 56.287 -0.046 0.000 0.806 161 K CB 2.041 34.536 32.500 -0.008 0.000 1.227 161 K HN 0.366 nan 8.250 nan 0.000 0.430 162 M N -0.105 119.455 119.600 -0.067 0.000 2.792 162 M HA 0.330 4.810 4.480 -0.000 0.000 0.294 162 M C -0.612 175.651 176.300 -0.061 0.000 1.215 162 M CA -1.094 54.066 55.300 -0.233 0.000 0.883 162 M CB 0.208 32.576 32.600 -0.386 0.000 1.620 162 M HN 0.629 nan 8.290 nan 0.000 0.511 163 W N 1.490 122.824 121.300 0.057 0.000 7.467 163 W HA -0.200 4.460 4.660 -0.000 0.000 0.416 163 W C -0.521 176.061 176.519 0.104 0.000 1.623 163 W CA -0.306 57.090 57.345 0.086 0.000 1.204 163 W CB -1.860 27.665 29.460 0.109 0.000 2.836 163 W HN 0.141 nan 8.180 nan 0.000 1.656 164 I N 0.966 121.657 120.570 0.203 0.000 2.304 164 I HA 0.136 4.306 4.170 -0.000 0.000 0.291 164 I C 1.196 177.413 176.117 0.166 0.000 1.018 164 I CA -0.725 60.687 61.300 0.186 0.000 1.260 164 I CB 0.076 38.152 38.000 0.126 0.000 1.390 164 I HN -0.137 nan 8.210 nan 0.000 0.475 165 T N 6.731 121.388 114.554 0.170 0.000 2.932 165 T HA 0.045 4.395 4.350 -0.000 0.000 0.312 165 T C 1.003 175.748 174.700 0.075 0.000 1.071 165 T CA 0.176 62.350 62.100 0.124 0.000 1.128 165 T CB 0.096 69.025 68.868 0.101 0.000 0.984 165 T HN 0.599 nan 8.240 nan 0.000 0.549 166 N N 0.364 119.089 118.700 0.042 0.000 2.778 166 N HA -0.181 4.559 4.740 -0.000 0.000 0.249 166 N C 1.407 176.943 175.510 0.043 0.000 1.069 166 N CA 1.147 54.214 53.050 0.027 0.000 0.831 166 N CB -1.477 37.013 38.487 0.005 0.000 1.142 166 N HN 0.853 nan 8.380 nan 0.000 0.573 167 G N 0.126 108.962 108.800 0.061 0.000 2.513 167 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.219 167 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.219 167 G C 1.334 176.268 174.900 0.056 0.000 1.160 167 G CA 1.497 46.637 45.100 0.067 0.000 0.767 167 G HN 0.510 nan 8.290 nan 0.000 0.571 168 N N -0.332 118.388 118.700 0.034 0.000 2.336 168 N HA 0.218 4.958 4.740 -0.000 0.000 0.189 168 N C 1.563 177.070 175.510 -0.005 0.000 1.113 168 N CA 0.048 53.110 53.050 0.021 0.000 0.858 168 N CB 0.292 38.792 38.487 0.021 0.000 0.970 168 N HN 0.284 nan 8.380 nan 0.000 0.471 169 L N -0.826 120.391 121.223 -0.010 0.000 2.693 169 L HA 0.455 4.795 4.340 -0.000 0.000 0.235 169 L C 0.343 177.126 176.870 -0.145 0.000 1.127 169 L CA -0.332 54.487 54.840 -0.035 0.000 0.914 169 L CB 0.064 42.151 42.059 0.045 0.000 1.193 169 L HN 0.019 nan 8.230 nan 0.000 0.502 170 A N -0.910 121.830 122.820 -0.133 0.000 2.306 170 A HA 0.436 4.756 4.320 -0.000 0.000 0.314 170 A C 0.118 177.527 177.584 -0.292 0.000 1.164 170 A CA -0.328 51.598 52.037 -0.186 0.000 0.822 170 A CB 0.349 19.325 19.000 -0.040 0.000 1.130 170 A HN 0.306 nan 8.150 nan 0.000 0.496 171 H N 0.886 119.941 119.070 -0.025 0.000 2.516 171 H HA 0.317 4.873 4.556 -0.000 0.000 0.284 171 H C -0.136 175.097 175.328 -0.158 0.000 0.999 171 H CA 0.422 56.432 56.048 -0.064 0.000 1.303 171 H CB 0.303 30.053 29.762 -0.020 0.000 1.452 171 H HN 0.408 nan 8.280 nan 0.000 0.530 172 L N 0.632 121.813 121.223 -0.070 0.000 2.386 172 L HA 0.741 5.081 4.340 -0.000 0.000 0.271 172 L C -1.190 175.568 176.870 -0.187 0.000 0.993 172 L CA -1.059 53.648 54.840 -0.222 0.000 0.819 172 L CB 1.684 43.516 42.059 -0.377 0.000 1.294 172 L HN 0.033 nan 8.230 nan 0.000 0.414 173 A N 4.595 127.277 122.820 -0.230 0.000 2.310 173 A HA 0.627 4.947 4.320 -0.000 0.000 0.304 173 A C -0.990 176.498 177.584 -0.161 0.000 1.231 173 A CA -0.551 51.413 52.037 -0.123 0.000 0.799 173 A CB 0.917 19.892 19.000 -0.042 0.000 1.162 173 A HN 0.482 nan 8.150 nan 0.000 0.486 174 V N 4.364 124.187 119.914 -0.153 0.000 2.377 174 V HA 0.066 4.186 4.120 -0.000 0.000 0.254 174 V C -0.077 175.724 176.094 -0.489 0.000 1.060 174 V CA 0.373 62.482 62.300 -0.319 0.000 1.068 174 V CB -0.783 30.940 31.823 -0.166 0.000 1.113 174 V HN 0.660 nan 8.190 nan 0.000 0.484 175 I N 4.611 124.907 120.570 -0.455 0.000 2.385 175 I HA 0.434 4.604 4.170 -0.000 0.000 0.294 175 I C -0.310 175.484 176.117 -0.540 0.000 0.988 175 I CA -0.358 60.736 61.300 -0.345 0.000 1.265 175 I CB 1.410 39.358 38.000 -0.086 0.000 1.388 175 I HN 0.505 nan 8.210 nan 0.000 0.480 176 W N 6.478 127.715 121.300 -0.106 0.000 2.417 176 W HA 0.778 5.438 4.660 -0.000 0.000 0.315 176 W C -0.086 176.419 176.519 -0.022 0.000 1.045 176 W CA -0.401 56.891 57.345 -0.089 0.000 1.221 176 W CB 1.331 30.683 29.460 -0.180 0.000 1.309 176 W HN 0.586 nan 8.180 nan 0.000 0.453 177 A N 2.723 125.675 122.820 0.219 0.000 2.530 177 A HA 0.852 5.172 4.320 -0.000 0.000 0.288 177 A C -1.050 176.615 177.584 0.135 0.000 1.172 177 A CA -1.054 51.067 52.037 0.141 0.000 0.733 177 A CB 1.846 20.900 19.000 0.090 0.000 1.320 177 A HN 0.546 nan 8.150 nan 0.000 0.419 178 K N -0.219 120.229 120.400 0.080 0.000 2.258 178 K HA 0.531 4.851 4.320 -0.000 0.000 0.236 178 K C -1.266 175.400 176.600 0.109 0.000 1.008 178 K CA -0.579 55.754 56.287 0.076 0.000 0.869 178 K CB 1.384 33.887 32.500 0.005 0.000 1.171 178 K HN 0.876 nan 8.250 nan 0.000 0.447 184 V N 5.352 125.356 119.914 0.150 0.000 2.508 184 V HA 0.436 4.556 4.120 -0.000 0.000 0.281 184 V C 0.270 176.400 176.094 0.059 0.000 1.041 184 V CA -0.054 62.325 62.300 0.132 0.000 1.016 184 V CB 0.262 32.176 31.823 0.151 0.000 0.984 184 V HN 0.623 nan 8.190 nan 0.000 0.478 185 L N 3.614 124.846 121.223 0.015 0.000 2.333 185 L HA 0.887 5.227 4.340 -0.000 0.000 0.263 185 L C 0.376 177.005 176.870 -0.401 0.000 1.014 185 L CA -0.616 54.066 54.840 -0.264 0.000 0.820 185 L CB 2.378 44.104 42.059 -0.554 0.000 1.352 185 L HN 0.729 nan 8.230 nan 0.000 0.421 186 G N 0.732 109.031 108.800 -0.836 0.000 2.544 186 G HA2 0.708 4.668 3.960 -0.000 0.000 0.313 186 G HA3 0.708 4.668 3.960 -0.000 0.000 0.313 186 G C -1.512 172.644 174.900 -1.240 0.000 1.316 186 G CA -0.205 44.130 45.100 -1.275 0.000 0.944 186 G HN 0.222 nan 8.290 nan 0.000 0.489 187 F N 1.031 120.571 119.950 -0.682 0.000 2.495 187 F HA 0.453 4.980 4.527 -0.000 0.000 0.327 187 F C 0.355 175.906 175.800 -0.414 0.000 1.103 187 F CA -1.013 56.707 58.000 -0.467 0.000 0.949 187 F CB 2.315 41.081 39.000 -0.391 0.000 1.142 187 F HN 0.112 nan 8.300 nan 0.000 0.457 188 L N 4.387 125.525 121.223 -0.142 0.000 2.358 188 L HA 0.350 4.690 4.340 -0.000 0.000 0.274 188 L C -0.706 176.056 176.870 -0.179 0.000 1.136 188 L CA -0.586 54.124 54.840 -0.216 0.000 0.970 188 L CB 0.020 41.940 42.059 -0.231 0.000 1.314 188 L HN 0.348 nan 8.230 nan 0.000 0.427 189 V N 4.415 124.206 119.914 -0.207 0.000 2.408 189 V HA 0.228 4.348 4.120 -0.000 0.000 0.267 189 V C -1.946 173.922 176.094 -0.377 0.000 1.047 189 V CA -1.630 60.518 62.300 -0.252 0.000 0.937 189 V CB 0.974 32.644 31.823 -0.254 0.000 0.999 189 V HN 0.465 nan 8.190 nan 0.000 0.472 190 P HA 0.111 nan 4.420 nan 0.000 0.269 190 P C 1.040 178.031 177.300 -0.515 0.000 1.209 190 P CA -0.004 62.928 63.100 -0.280 0.000 0.776 190 P CB 0.552 32.173 31.700 -0.132 0.000 0.876 191 T N -2.596 111.681 114.554 -0.461 0.000 3.113 191 T HA -0.064 4.286 4.350 -0.000 0.000 0.256 191 T C 0.779 175.349 174.700 -0.217 0.000 1.131 191 T CA 0.709 62.437 62.100 -0.620 0.000 1.074 191 T CB -0.589 68.130 68.868 -0.247 0.000 0.944 191 T HN 0.380 nan 8.240 nan 0.000 0.516 192 D N 1.230 121.554 120.400 -0.126 0.000 2.369 192 D HA 0.025 4.665 4.640 -0.000 0.000 0.211 192 D C 0.979 177.273 176.300 -0.010 0.000 1.077 192 D CA -0.027 53.964 54.000 -0.017 0.000 0.842 192 D CB -0.746 40.061 40.800 0.010 0.000 0.947 192 D HN 0.430 nan 8.370 nan 0.000 0.509 193 T N 1.139 115.656 114.554 -0.061 0.000 2.902 193 T HA 0.180 4.530 4.350 -0.000 0.000 0.301 193 T C -2.163 172.561 174.700 0.040 0.000 1.012 193 T CA -1.308 60.779 62.100 -0.021 0.000 1.151 193 T CB 0.610 69.446 68.868 -0.054 0.000 0.946 193 T HN -0.088 nan 8.240 nan 0.000 0.542 194 P HA 0.186 nan 4.420 nan 0.000 0.265 194 P C 1.050 178.389 177.300 0.065 0.000 1.187 194 P CA 0.996 64.126 63.100 0.049 0.000 0.766 194 P CB 0.169 31.886 31.700 0.027 0.000 0.820 195 G N 1.542 110.381 108.800 0.066 0.000 2.175 195 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.244 195 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.244 195 G C -0.322 174.626 174.900 0.080 0.000 0.982 195 G CA -0.288 44.842 45.100 0.051 0.000 0.641 195 G HN 0.546 nan 8.290 nan 0.000 0.527 196 F N 2.562 122.489 119.950 -0.039 0.000 2.388 196 F HA 0.704 5.231 4.527 -0.000 0.000 0.358 196 F C -0.096 175.680 175.800 -0.039 0.000 1.122 196 F CA -0.787 57.186 58.000 -0.045 0.000 1.056 196 F CB 1.193 40.165 39.000 -0.047 0.000 1.155 196 F HN 0.019 nan 8.300 nan 0.000 0.461 197 Q N 5.030 124.607 119.800 -0.372 0.000 2.353 197 Q HA 0.669 5.009 4.340 -0.000 0.000 0.268 197 Q C -1.226 174.565 176.000 -0.349 0.000 1.045 197 Q CA -0.917 54.750 55.803 -0.227 0.000 0.811 197 Q CB 2.144 30.791 28.738 -0.151 0.000 1.305 197 Q HN 0.747 nan 8.270 nan 0.000 0.447 198 A N 3.196 125.923 122.820 -0.155 0.000 2.311 198 A HA 0.710 5.030 4.320 -0.000 0.000 0.306 198 A C -0.570 176.970 177.584 -0.073 0.000 1.189 198 A CA -0.684 51.280 52.037 -0.120 0.000 0.791 198 A CB 0.875 19.880 19.000 0.010 0.000 1.172 198 A HN 0.599 nan 8.150 nan 0.000 0.481 199 R N 2.332 122.777 120.500 -0.093 0.000 2.494 199 R HA 0.380 4.720 4.340 -0.000 0.000 0.305 199 R C -0.766 175.497 176.300 -0.062 0.000 0.959 199 R CA -0.617 55.442 56.100 -0.069 0.000 0.864 199 R CB 2.227 32.477 30.300 -0.083 0.000 1.159 199 R HN 0.813 nan 8.270 nan 0.000 0.446 200 E N 1.316 121.497 120.200 -0.032 0.000 2.404 200 E HA 0.095 4.445 4.350 -0.000 0.000 0.261 200 E C -0.341 176.243 176.600 -0.026 0.000 1.074 200 E CA -0.212 56.180 56.400 -0.014 0.000 0.917 200 E CB 1.070 30.775 29.700 0.008 0.000 0.965 200 E HN 0.148 nan 8.360 nan 0.000 0.433 201 V N 3.671 123.583 119.914 -0.003 0.000 2.465 201 V HA 0.155 4.275 4.120 -0.000 0.000 0.279 201 V C 0.238 176.360 176.094 0.047 0.000 1.045 201 V CA -0.388 61.914 62.300 0.003 0.000 0.938 201 V CB 1.017 32.876 31.823 0.059 0.000 0.986 201 V HN 0.519 nan 8.190 nan 0.000 0.467 202 K N 3.402 123.825 120.400 0.037 0.000 2.258 202 K HA 0.645 4.965 4.320 -0.000 0.000 0.236 202 K C 0.244 176.878 176.600 0.055 0.000 1.008 202 K CA -1.072 55.236 56.287 0.036 0.000 0.869 202 K CB 0.966 33.475 32.500 0.016 0.000 1.171 202 K HN 0.535 nan 8.250 nan 0.000 0.447 203 R N -0.153 120.367 120.500 0.034 0.000 3.423 203 R HA -0.178 4.162 4.340 -0.000 0.000 0.271 203 R C -0.672 175.657 176.300 0.049 0.000 1.093 203 R CA 0.594 56.716 56.100 0.036 0.000 0.730 203 R CB -1.738 28.591 30.300 0.048 0.000 1.190 203 R HN 0.408 nan 8.270 nan 0.000 0.437 204 K N 0.626 121.044 120.400 0.029 0.000 2.258 204 K HA 0.251 4.571 4.320 -0.000 0.000 0.284 204 K C 0.811 177.388 176.600 -0.037 0.000 1.051 204 K CA -0.343 55.962 56.287 0.029 0.000 0.923 204 K CB 0.616 33.136 32.500 0.033 0.000 1.046 204 K HN -0.005 nan 8.250 nan 0.000 0.474 205 M N 1.461 121.069 119.600 0.014 0.000 2.576 205 M HA 0.137 4.617 4.480 -0.000 0.000 0.322 205 M C -0.368 176.033 176.300 0.167 0.000 1.184 205 M CA 0.155 55.487 55.300 0.052 0.000 0.967 205 M CB -0.129 32.524 32.600 0.088 0.000 1.372 205 M HN 0.413 nan 8.290 nan 0.000 0.509 206 S N 0.095 115.871 115.700 0.126 0.000 2.535 206 S HA 0.534 5.004 4.470 -0.000 0.000 0.272 206 S C -0.298 174.414 174.600 0.187 0.000 1.149 206 S CA -0.511 57.832 58.200 0.238 0.000 0.888 206 S CB 0.876 64.152 63.200 0.127 0.000 1.110 206 S HN 0.306 nan 8.310 nan 0.000 0.463 207 L N 3.328 124.754 121.223 0.339 0.000 3.660 207 L HA -0.160 4.180 4.340 -0.000 0.000 0.440 207 L C 1.136 178.089 176.870 0.140 0.000 1.262 207 L CA 1.001 56.015 54.840 0.290 0.000 0.837 207 L CB -0.814 41.366 42.059 0.202 0.000 1.689 207 L HN 0.844 nan 8.230 nan 0.000 0.890 208 R N 0.037 120.454 120.500 -0.139 0.000 2.148 208 R HA 0.192 4.532 4.340 -0.000 0.000 0.223 208 R C 1.254 177.486 176.300 -0.113 0.000 1.088 208 R CA 0.940 56.792 56.100 -0.412 0.000 0.985 208 R CB 0.050 29.628 30.300 -1.203 0.000 0.880 208 R HN 0.630 nan 8.270 nan 0.000 0.451 209 A N 1.490 124.386 122.820 0.127 0.000 3.056 209 A HA 0.299 4.619 4.320 -0.000 0.000 0.274 209 A C -0.335 177.532 177.584 0.472 0.000 1.661 209 A CA 0.062 52.289 52.037 0.318 0.000 1.363 209 A CB 0.039 19.309 19.000 0.451 0.000 1.139 209 A HN 0.125 nan 8.150 nan 0.000 0.598 210 S N 0.249 116.188 115.700 0.398 0.000 2.678 210 S HA 0.328 4.798 4.470 -0.000 0.000 0.290 210 S C -1.115 173.600 174.600 0.192 0.000 1.047 210 S CA 0.061 58.475 58.200 0.357 0.000 0.851 210 S CB 0.619 63.999 63.200 0.301 0.000 1.058 210 S HN 1.689 nan 8.310 nan 0.000 0.451 211 V N 2.667 122.636 119.914 0.092 0.000 2.394 211 V HA 0.914 5.034 4.120 -0.000 0.000 0.282 211 V C -0.481 175.671 176.094 0.097 0.000 1.031 211 V CA 0.194 62.546 62.300 0.087 0.000 0.881 211 V CB 1.081 32.939 31.823 0.059 0.000 0.982 211 V HN 0.929 nan 8.190 nan 0.000 0.451 212 T N 5.337 119.965 114.554 0.122 0.000 2.812 212 T HA 0.682 5.032 4.350 -0.000 0.000 0.282 212 T C -0.229 174.531 174.700 0.100 0.000 0.990 212 T CA -0.397 61.800 62.100 0.162 0.000 0.960 212 T CB 1.499 70.528 68.868 0.268 0.000 0.948 212 T HN 0.909 nan 8.240 nan 0.000 0.438 213 S N 1.698 117.438 115.700 0.067 0.000 2.709 213 S HA 0.597 5.067 4.470 -0.000 0.000 0.302 213 S C -0.916 173.637 174.600 -0.079 0.000 1.127 213 S CA -1.075 57.119 58.200 -0.010 0.000 0.905 213 S CB 2.169 65.368 63.200 -0.002 0.000 1.151 213 S HN 0.791 nan 8.310 nan 0.000 0.510 214 E N 1.204 121.322 120.200 -0.137 0.000 2.158 214 E HA 0.475 4.825 4.350 -0.000 0.000 0.271 214 E C -1.511 174.976 176.600 -0.189 0.000 0.911 214 E CA -0.513 55.770 56.400 -0.195 0.000 0.767 214 E CB 0.666 30.226 29.700 -0.233 0.000 1.120 214 E HN 0.478 nan 8.360 nan 0.000 0.405 215 L N 4.225 125.326 121.223 -0.203 0.000 2.282 215 L HA 0.479 4.819 4.340 -0.000 0.000 0.288 215 L C -0.723 175.945 176.870 -0.337 0.000 1.033 215 L CA -1.067 53.577 54.840 -0.326 0.000 0.807 215 L CB 1.627 43.522 42.059 -0.274 0.000 1.209 215 L HN 0.344 nan 8.230 nan 0.000 0.423 216 V N 5.098 124.753 119.914 -0.431 0.000 2.376 216 V HA 0.352 4.472 4.120 -0.000 0.000 0.287 216 V C -0.279 175.597 176.094 -0.363 0.000 1.015 216 V CA -0.391 61.723 62.300 -0.310 0.000 0.834 216 V CB 1.828 33.519 31.823 -0.220 0.000 1.001 216 V HN 0.458 nan 8.190 nan 0.000 0.428 217 L N 4.551 125.624 121.223 -0.249 0.000 2.276 217 L HA 0.521 4.861 4.340 -0.000 0.000 0.286 217 L C 0.217 177.036 176.870 -0.085 0.000 1.024 217 L CA 0.241 54.993 54.840 -0.147 0.000 0.826 217 L CB 1.260 43.278 42.059 -0.068 0.000 1.211 217 L HN 0.623 nan 8.230 nan 0.000 0.422 218 E N 2.762 122.927 120.200 -0.058 0.000 2.101 218 E HA 0.227 4.577 4.350 -0.000 0.000 0.260 218 E C -0.383 176.206 176.600 -0.020 0.000 0.897 218 E CA -0.427 55.948 56.400 -0.042 0.000 0.744 218 E CB 0.591 30.265 29.700 -0.044 0.000 1.140 218 E HN 0.475 nan 8.360 nan 0.000 0.419 219 E N 1.342 121.528 120.200 -0.022 0.000 2.360 219 E HA -0.168 4.182 4.350 -0.000 0.000 0.238 219 E C -1.262 175.335 176.600 -0.006 0.000 1.186 219 E CA 0.294 56.685 56.400 -0.015 0.000 0.719 219 E CB -1.063 28.630 29.700 -0.012 0.000 1.236 219 E HN 0.250 nan 8.360 nan 0.000 0.386 220 V N 2.040 121.952 119.914 -0.004 0.000 2.521 220 V HA 0.124 4.244 4.120 -0.000 0.000 0.286 220 V C 1.025 177.109 176.094 -0.018 0.000 1.034 220 V CA 0.216 62.524 62.300 0.012 0.000 1.045 220 V CB 0.984 32.843 31.823 0.060 0.000 0.974 220 V HN 0.153 nan 8.190 nan 0.000 0.480 221 R N 4.251 124.748 120.500 -0.004 0.000 2.254 221 R HA 0.603 4.943 4.340 -0.000 0.000 0.318 221 R C -1.113 175.188 176.300 0.003 0.000 1.031 221 R CA -0.401 55.700 56.100 0.002 0.000 0.905 221 R CB 1.423 31.729 30.300 0.009 0.000 1.050 221 R HN 0.485 nan 8.270 nan 0.000 0.456 222 V N 4.507 124.439 119.914 0.030 0.000 2.623 222 V HA 0.309 4.429 4.120 -0.000 0.000 0.304 222 V C -2.048 174.158 176.094 0.186 0.000 1.054 222 V CA -2.075 60.262 62.300 0.061 0.000 0.882 222 V CB 2.243 34.056 31.823 -0.017 0.000 1.002 222 V HN 0.664 nan 8.190 nan 0.000 0.424 223 P HA 0.107 nan 4.420 nan 0.000 0.272 223 P C 0.291 177.774 177.300 0.304 0.000 1.230 223 P CA 0.046 63.259 63.100 0.188 0.000 0.788 223 P CB 1.489 33.259 31.700 0.116 0.000 0.949 224 E N 1.385 121.774 120.200 0.315 0.000 2.418 224 E HA -0.122 4.228 4.350 -0.000 0.000 0.197 224 E C 1.575 178.304 176.600 0.216 0.000 1.026 224 E CA 1.283 57.918 56.400 0.392 0.000 0.862 224 E CB -0.778 29.110 29.700 0.314 0.000 0.799 224 E HN 0.390 nan 8.360 nan 0.000 0.518 225 S N -0.859 114.933 115.700 0.152 0.000 2.603 225 S HA 0.006 4.476 4.470 -0.000 0.000 0.220 225 S C 1.185 175.849 174.600 0.106 0.000 0.967 225 S CA 0.083 58.343 58.200 0.101 0.000 0.920 225 S CB 0.048 63.293 63.200 0.075 0.000 0.773 225 S HN 0.232 nan 8.310 nan 0.000 0.529 226 L N 1.110 122.411 121.223 0.130 0.000 2.808 226 L HA 0.484 4.824 4.340 -0.000 0.000 0.246 226 L C 0.602 177.504 176.870 0.054 0.000 1.153 226 L CA 0.082 54.992 54.840 0.116 0.000 0.956 226 L CB 0.093 42.224 42.059 0.121 0.000 1.270 226 L HN 0.272 nan 8.230 nan 0.000 0.528 227 R N 0.498 121.004 120.500 0.011 0.000 2.255 227 R HA 0.290 4.630 4.340 -0.000 0.000 0.326 227 R C -0.704 175.447 176.300 -0.248 0.000 0.986 227 R CA -0.923 55.029 56.100 -0.247 0.000 0.847 227 R CB 0.734 30.828 30.300 -0.344 0.000 1.111 227 R HN -0.132 nan 8.270 nan 0.000 0.452 228 L N 8.777 129.803 121.223 -0.328 0.000 2.780 228 L HA -0.016 4.324 4.340 -0.000 0.000 0.275 228 L C -1.236 175.537 176.870 -0.162 0.000 1.153 228 L CA -0.922 53.801 54.840 -0.196 0.000 0.993 228 L CB 0.514 42.453 42.059 -0.199 0.000 1.319 228 L HN 0.658 nan 8.230 nan 0.000 0.479 229 P HA -0.240 nan 4.420 nan 0.000 0.213 229 P C 1.248 178.528 177.300 -0.033 0.000 1.170 229 P CA 1.552 64.627 63.100 -0.042 0.000 0.902 229 P CB 0.381 32.074 31.700 -0.012 0.000 0.789 230 K N 0.335 120.747 120.400 0.020 0.000 2.097 230 K HA 0.061 4.381 4.320 -0.000 0.000 0.206 230 K C 1.366 177.931 176.600 -0.058 0.000 1.049 230 K CA 0.826 57.150 56.287 0.062 0.000 0.933 230 K CB -1.255 31.387 32.500 0.237 0.000 0.717 230 K HN 0.115 nan 8.250 nan 0.000 0.442 231 A N 1.461 124.190 122.820 -0.152 0.000 2.504 231 A HA 0.072 4.392 4.320 -0.000 0.000 0.280 231 A C -0.794 176.654 177.584 -0.226 0.000 1.125 231 A CA 0.483 52.306 52.037 -0.357 0.000 0.873 231 A CB -0.762 18.121 19.000 -0.194 0.000 0.997 231 A HN 0.103 nan 8.150 nan 0.000 0.542 232 L N 2.229 123.311 121.223 -0.235 0.000 2.404 232 L HA 0.746 5.086 4.340 -0.000 0.000 0.272 232 L C 0.609 177.409 176.870 -0.118 0.000 0.980 232 L CA 0.910 55.673 54.840 -0.129 0.000 0.836 232 L CB 0.922 42.929 42.059 -0.087 0.000 1.238 232 L HN 1.386 nan 8.230 nan 0.000 0.408 233 G N 1.902 110.661 108.800 -0.069 0.000 2.756 233 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.678 233 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.678 233 G C 0.659 175.498 174.900 -0.102 0.000 1.349 233 G CA -0.194 44.864 45.100 -0.070 0.000 0.847 233 G HN 0.644 nan 8.290 nan 0.000 0.548 234 L N 0.467 121.627 121.223 -0.105 0.000 2.127 234 L HA -0.099 4.241 4.340 -0.000 0.000 0.211 234 L C 3.066 179.827 176.870 -0.181 0.000 1.089 234 L CA 2.670 57.432 54.840 -0.130 0.000 0.757 234 L CB -0.372 41.611 42.059 -0.126 0.000 0.899 234 L HN 0.874 nan 8.230 nan 0.000 0.434 235 K N -0.493 119.818 120.400 -0.150 0.000 2.211 235 K HA -0.156 4.164 4.320 -0.000 0.000 0.204 235 K C 1.853 178.383 176.600 -0.117 0.000 1.047 235 K CA 1.283 57.503 56.287 -0.111 0.000 0.935 235 K CB -0.392 32.064 32.500 -0.073 0.000 0.728 235 K HN 0.271 nan 8.250 nan 0.000 0.452 236 A N 2.803 125.474 122.820 -0.248 0.000 1.855 236 A HA -0.030 4.290 4.320 -0.000 0.000 0.215 236 A C -0.096 177.323 177.584 -0.275 0.000 1.191 236 A CA 0.916 52.730 52.037 -0.372 0.000 0.613 236 A CB -1.292 17.377 19.000 -0.551 0.000 0.829 236 A HN 0.372 nan 8.150 nan 0.000 0.442 237 P HA -0.085 nan 4.420 nan 0.000 0.219 237 P C 1.606 178.797 177.300 -0.181 0.000 1.150 237 P CA 0.776 63.412 63.100 -0.773 0.000 0.814 237 P CB -0.138 30.654 31.700 -1.513 0.000 0.787 238 L N 0.577 121.701 121.223 -0.165 0.000 2.046 238 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 238 L C 2.873 179.735 176.870 -0.014 0.000 1.077 238 L CA 2.255 57.050 54.840 -0.074 0.000 0.747 238 L CB -1.236 40.778 42.059 -0.076 0.000 0.896 238 L HN 0.129 nan 8.230 nan 0.000 0.432 239 S N -1.094 114.643 115.700 0.061 0.000 2.400 239 S HA -0.216 4.254 4.470 -0.000 0.000 0.232 239 S C 2.072 176.688 174.600 0.026 0.000 1.025 239 S CA 1.341 59.614 58.200 0.120 0.000 0.993 239 S CB -1.067 62.345 63.200 0.353 0.000 0.808 239 S HN 0.430 nan 8.310 nan 0.000 0.478 240 C N 1.476 120.852 119.300 0.127 0.000 2.446 240 C HA 0.157 4.617 4.460 -0.000 0.000 0.277 240 C C 2.716 177.591 174.990 -0.191 0.000 1.275 240 C CA 0.424 59.456 59.018 0.024 0.000 1.727 240 C CB -1.572 26.291 27.740 0.206 0.000 2.010 240 C HN 0.585 nan 8.230 nan 0.000 0.486 241 L N 0.361 121.484 121.223 -0.166 0.000 2.046 241 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 241 L C 2.705 179.518 176.870 -0.095 0.000 1.077 241 L CA 1.723 56.465 54.840 -0.164 0.000 0.747 241 L CB -1.392 40.610 42.059 -0.095 0.000 0.896 241 L HN 0.348 nan 8.230 nan 0.000 0.432 242 T N -0.884 113.627 114.554 -0.072 0.000 2.699 242 T HA -0.222 4.128 4.350 -0.000 0.000 0.268 242 T C 1.951 176.618 174.700 -0.055 0.000 1.036 242 T CA 1.225 63.298 62.100 -0.045 0.000 1.147 242 T CB -0.152 68.688 68.868 -0.047 0.000 0.862 242 T HN 0.309 nan 8.240 nan 0.000 0.446 243 Q N 0.748 120.443 119.800 -0.175 0.000 2.020 243 Q HA -0.025 4.315 4.340 -0.000 0.000 0.202 243 Q C 2.820 178.848 176.000 0.047 0.000 0.982 243 Q CA 1.711 57.411 55.803 -0.172 0.000 0.838 243 Q CB -0.833 27.597 28.738 -0.513 0.000 0.899 243 Q HN 0.587 nan 8.270 nan 0.000 0.423 244 A N 1.358 124.152 122.820 -0.044 0.000 1.883 244 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 244 A C 2.171 179.767 177.584 0.020 0.000 1.186 244 A CA 1.637 53.666 52.037 -0.013 0.000 0.624 244 A CB -0.542 18.364 19.000 -0.156 0.000 0.822 244 A HN 0.287 nan 8.150 nan 0.000 0.444 245 R N -1.836 118.669 120.500 0.008 0.000 2.152 245 R HA -0.122 4.218 4.340 -0.000 0.000 0.232 245 R C 1.915 178.239 176.300 0.041 0.000 1.117 245 R CA 1.490 57.598 56.100 0.014 0.000 0.981 245 R CB -0.486 29.812 30.300 -0.004 0.000 0.870 245 R HN 0.681 nan 8.270 nan 0.000 0.451 246 F N 0.566 120.504 119.950 -0.019 0.000 2.113 246 F HA -0.019 4.508 4.527 0.000 0.000 0.297 246 F C 2.134 177.972 175.800 0.064 0.000 1.103 246 F CA 1.707 59.725 58.000 0.029 0.000 1.248 246 F CB -0.668 38.359 39.000 0.044 0.000 0.999 246 F HN -0.050 nan 8.300 nan 0.000 0.475 247 G N 0.995 109.664 108.800 -0.217 0.000 2.422 247 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.218 247 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.218 247 G C 1.792 176.548 174.900 -0.239 0.000 1.146 247 G CA 1.153 45.948 45.100 -0.508 0.000 0.769 247 G HN 0.498 nan 8.290 nan 0.000 0.547 248 I N 1.363 121.868 120.570 -0.109 0.000 2.286 248 I HA -0.167 4.003 4.170 -0.000 0.000 0.248 248 I C 3.244 179.327 176.117 -0.057 0.000 1.115 248 I CA 0.866 62.149 61.300 -0.028 0.000 1.392 248 I CB -0.179 37.848 38.000 0.045 0.000 1.065 248 I HN 0.239 nan 8.210 nan 0.000 0.418 249 A N 0.018 122.763 122.820 -0.125 0.000 1.972 249 A HA -0.223 4.097 4.320 -0.000 0.000 0.219 249 A C 1.964 179.408 177.584 -0.235 0.000 1.169 249 A CA 1.334 53.257 52.037 -0.190 0.000 0.635 249 A CB -0.868 17.982 19.000 -0.251 0.000 0.810 249 A HN 0.535 nan 8.150 nan 0.000 0.446 250 W N -0.448 120.673 121.300 -0.298 0.000 2.444 250 W HA 0.118 4.778 4.660 -0.000 0.000 0.308 250 W C 2.594 179.072 176.519 -0.069 0.000 1.183 250 W CA 1.190 58.412 57.345 -0.205 0.000 1.340 250 W CB -0.698 28.540 29.460 -0.369 0.000 1.138 250 W HN 0.336 nan 8.180 nan 0.000 0.510 251 G N 0.273 109.134 108.800 0.102 0.000 2.469 251 G HA2 -0.293 3.666 3.960 -0.000 0.000 0.219 251 G HA3 -0.293 3.666 3.960 -0.000 0.000 0.219 251 G C 1.628 176.492 174.900 -0.059 0.000 1.150 251 G CA 1.592 46.694 45.100 0.004 0.000 0.763 251 G HN 0.325 nan 8.290 nan 0.000 0.561 252 A N 0.343 123.141 122.820 -0.036 0.000 1.917 252 A HA -0.123 4.197 4.320 -0.000 0.000 0.219 252 A C 2.399 179.933 177.584 -0.084 0.000 1.182 252 A CA 2.378 54.384 52.037 -0.051 0.000 0.633 252 A CB -0.380 18.594 19.000 -0.044 0.000 0.819 252 A HN 0.309 nan 8.150 nan 0.000 0.448 253 M N -0.324 119.234 119.600 -0.069 0.000 2.149 253 M HA -0.082 4.398 4.480 -0.000 0.000 0.261 253 M C 2.221 178.448 176.300 -0.122 0.000 1.064 253 M CA 1.160 56.453 55.300 -0.012 0.000 1.102 253 M CB -1.877 30.771 32.600 0.080 0.000 1.369 253 M HN 0.449 nan 8.290 nan 0.000 0.408 254 G N -0.947 107.471 108.800 -0.636 0.000 2.408 254 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.217 254 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.217 254 G C 1.604 176.204 174.900 -0.499 0.000 1.150 254 G CA 0.969 45.382 45.100 -1.145 0.000 0.776 254 G HN 0.564 nan 8.290 nan 0.000 0.542 255 A N 0.264 122.876 122.820 -0.347 0.000 1.968 255 A HA 0.203 4.522 4.320 -0.000 0.000 0.217 255 A C 2.314 179.684 177.584 -0.357 0.000 1.169 255 A CA 1.097 52.878 52.037 -0.427 0.000 0.638 255 A CB -0.317 18.519 19.000 -0.273 0.000 0.812 255 A HN 0.372 nan 8.150 nan 0.000 0.446 256 L N -0.406 120.717 121.223 -0.168 0.000 2.017 256 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 256 L C 2.607 179.459 176.870 -0.029 0.000 1.073 256 L CA 2.214 57.028 54.840 -0.044 0.000 0.745 256 L CB -0.300 41.809 42.059 0.084 0.000 0.894 256 L HN 0.679 nan 8.230 nan 0.000 0.432 257 E N -0.109 120.069 120.200 -0.037 0.000 2.058 257 E HA -0.292 4.058 4.350 -0.000 0.000 0.194 257 E C 2.032 178.620 176.600 -0.020 0.000 0.997 257 E CA 1.393 57.760 56.400 -0.054 0.000 0.801 257 E CB -0.140 29.559 29.700 -0.001 0.000 0.746 257 E HN 0.587 nan 8.360 nan 0.000 0.450 258 A N 0.951 123.688 122.820 -0.139 0.000 1.877 258 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 258 A C 2.487 180.014 177.584 -0.095 0.000 1.186 258 A CA 2.125 54.067 52.037 -0.157 0.000 0.620 258 A CB -1.009 17.793 19.000 -0.330 0.000 0.822 258 A HN 0.374 nan 8.150 nan 0.000 0.443 259 V N -3.236 116.602 119.914 -0.126 0.000 2.548 259 V HA -0.182 3.938 4.120 -0.000 0.000 0.249 259 V C 2.312 178.417 176.094 0.019 0.000 1.055 259 V CA 1.899 64.178 62.300 -0.035 0.000 1.065 259 V CB -1.352 30.444 31.823 -0.046 0.000 0.681 259 V HN 0.554 nan 8.190 nan 0.000 0.462 260 Y N 1.957 122.200 120.300 -0.095 0.000 2.133 260 Y HA -0.122 4.428 4.550 0.000 0.000 0.287 260 Y C 2.564 178.422 175.900 -0.071 0.000 1.134 260 Y CA 2.365 60.410 58.100 -0.092 0.000 1.133 260 Y CB -0.376 38.010 38.460 -0.123 0.000 0.987 260 Y HN 0.318 nan 8.280 nan 0.000 0.502 261 E N 0.692 120.853 120.200 -0.065 0.000 2.097 261 E HA -0.265 4.085 4.350 -0.000 0.000 0.196 261 E C 2.183 178.702 176.600 -0.135 0.000 1.000 261 E CA 1.819 58.126 56.400 -0.155 0.000 0.804 261 E CB -0.354 29.342 29.700 -0.006 0.000 0.740 261 E HN 0.748 nan 8.360 nan 0.000 0.454 262 E N -0.771 119.401 120.200 -0.046 0.000 2.152 262 E HA -0.126 4.224 4.350 -0.000 0.000 0.192 262 E C 1.866 178.473 176.600 0.010 0.000 0.983 262 E CA 0.894 57.311 56.400 0.028 0.000 0.818 262 E CB -0.116 29.642 29.700 0.097 0.000 0.758 262 E HN 0.253 nan 8.360 nan 0.000 0.467 263 A N 1.242 124.016 122.820 -0.078 0.000 1.873 263 A HA -0.119 4.201 4.320 -0.000 0.000 0.215 263 A C 2.480 180.016 177.584 -0.081 0.000 1.186 263 A CA 1.602 53.587 52.037 -0.087 0.000 0.616 263 A CB -1.049 17.884 19.000 -0.112 0.000 0.823 263 A HN 0.352 nan 8.150 nan 0.000 0.442 264 V N -1.758 118.014 119.914 -0.236 0.000 2.427 264 V HA -0.061 4.059 4.120 -0.000 0.000 0.248 264 V C 2.457 178.496 176.094 -0.092 0.000 1.051 264 V CA 2.077 64.248 62.300 -0.215 0.000 1.048 264 V CB -1.233 30.356 31.823 -0.391 0.000 0.666 264 V HN 0.549 nan 8.190 nan 0.000 0.456 265 A N -0.032 122.753 122.820 -0.058 0.000 1.877 265 A HA -0.154 4.166 4.320 -0.000 0.000 0.216 265 A C 2.145 179.777 177.584 0.079 0.000 1.186 265 A CA 2.097 54.139 52.037 0.009 0.000 0.620 265 A CB -1.034 17.985 19.000 0.033 0.000 0.822 265 A HN 0.736 nan 8.150 nan 0.000 0.443 266 F N 0.777 120.706 119.950 -0.034 0.000 2.134 266 F HA -0.034 4.493 4.527 -0.000 0.000 0.299 266 F C 2.520 178.284 175.800 -0.060 0.000 1.097 266 F CA 1.204 59.188 58.000 -0.028 0.000 1.264 266 F CB -0.247 38.723 39.000 -0.050 0.000 1.001 266 F HN 0.250 nan 8.300 nan 0.000 0.479 267 A N 0.142 123.047 122.820 0.142 0.000 1.933 267 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 267 A C 2.193 179.746 177.584 -0.052 0.000 1.175 267 A CA 1.871 53.927 52.037 0.032 0.000 0.628 267 A CB -0.610 18.397 19.000 0.011 0.000 0.814 267 A HN 0.455 nan 8.150 nan 0.000 0.444 268 K N 0.141 120.510 120.400 -0.052 0.000 2.155 268 K HA -0.067 4.253 4.320 -0.000 0.000 0.203 268 K C 2.025 178.574 176.600 -0.085 0.000 1.052 268 K CA 1.428 57.677 56.287 -0.063 0.000 0.948 268 K CB -0.089 32.380 32.500 -0.051 0.000 0.728 268 K HN 0.617 nan 8.250 nan 0.000 0.448 269 S N 0.148 115.779 115.700 -0.115 0.000 2.575 269 S HA 0.129 4.599 4.470 -0.000 0.000 0.215 269 S C 0.521 174.991 174.600 -0.218 0.000 0.966 269 S CA -0.405 57.710 58.200 -0.142 0.000 0.911 269 S CB 0.204 63.333 63.200 -0.119 0.000 0.780 269 S HN 0.001 nan 8.310 nan 0.000 0.514 270 R N 1.742 122.075 120.500 -0.279 0.000 2.670 270 R HA 0.659 4.998 4.340 -0.000 0.000 0.289 270 R C -0.947 175.236 176.300 -0.195 0.000 0.965 270 R CA 0.016 55.922 56.100 -0.324 0.000 0.899 270 R CB 1.964 31.914 30.300 -0.583 0.000 1.173 270 R HN 0.304 nan 8.270 nan 0.000 0.456 271 S N 0.581 116.188 115.700 -0.156 0.000 2.549 271 S HA 0.508 4.978 4.470 -0.000 0.000 0.280 271 S C -0.405 174.143 174.600 -0.087 0.000 1.109 271 S CA -0.572 57.568 58.200 -0.100 0.000 0.905 271 S CB 2.270 65.426 63.200 -0.075 0.000 1.081 271 S HN 0.496 nan 8.310 nan 0.000 0.477 272 T N 0.769 115.302 114.554 -0.034 0.000 3.499 272 T HA 0.341 4.691 4.350 -0.000 0.000 0.227 272 T C -0.315 174.366 174.700 -0.032 0.000 0.946 272 T CA 0.248 62.328 62.100 -0.033 0.000 1.368 272 T CB -0.363 68.543 68.868 0.063 0.000 1.227 272 T HN 0.568 nan 8.240 nan 0.000 0.398 273 F N 1.959 121.889 119.950 -0.034 0.000 2.894 273 F HA 0.492 5.019 4.527 0.000 0.000 0.310 273 F C 1.334 177.117 175.800 -0.029 0.000 1.204 273 F CA -0.398 57.585 58.000 -0.029 0.000 1.290 273 F CB -0.126 38.859 39.000 -0.024 0.000 1.317 273 F HN 0.504 nan 8.300 nan 0.000 0.545 274 G N 0.724 109.560 108.800 0.060 0.000 2.164 274 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.212 274 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.212 274 G C -0.202 174.712 174.900 0.024 0.000 1.031 274 G CA 0.043 45.161 45.100 0.030 0.000 0.730 274 G HN 0.509 nan 8.290 nan 0.000 0.501 275 E N -1.703 118.509 120.200 0.019 0.000 2.447 275 E HA 0.640 4.989 4.350 -0.000 0.000 0.279 275 E C -3.363 173.231 176.600 -0.011 0.000 1.053 275 E CA -2.307 54.096 56.400 0.004 0.000 0.840 275 E CB 1.169 30.877 29.700 0.012 0.000 1.409 275 E HN 0.108 nan 8.360 nan 0.000 0.461 276 P HA 0.141 nan 4.420 nan 0.000 0.278 276 P C 0.376 177.659 177.300 -0.029 0.000 1.266 276 P CA -0.667 62.409 63.100 -0.039 0.000 0.807 276 P CB 0.664 32.336 31.700 -0.046 0.000 1.094 277 L N 1.189 122.385 121.223 -0.045 0.000 2.046 277 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 277 L C 2.354 179.212 176.870 -0.019 0.000 1.077 277 L CA 2.128 56.954 54.840 -0.023 0.000 0.747 277 L CB -2.179 39.863 42.059 -0.029 0.000 0.896 277 L HN 0.449 nan 8.230 nan 0.000 0.432 278 A N -1.380 121.421 122.820 -0.032 0.000 2.139 278 A HA -0.263 4.057 4.320 -0.000 0.000 0.221 278 A C 2.362 179.928 177.584 -0.031 0.000 1.159 278 A CA 1.794 53.810 52.037 -0.035 0.000 0.662 278 A CB -0.547 18.426 19.000 -0.044 0.000 0.796 278 A HN 0.433 nan 8.150 nan 0.000 0.463 279 K N -0.598 119.787 120.400 -0.024 0.000 2.393 279 K HA 0.026 4.346 4.320 -0.000 0.000 0.193 279 K C -0.263 176.326 176.600 -0.018 0.000 1.026 279 K CA -0.021 56.254 56.287 -0.020 0.000 1.064 279 K CB 0.134 32.624 32.500 -0.016 0.000 0.833 279 K HN 0.142 nan 8.250 nan 0.000 0.521 280 K N 1.390 121.780 120.400 -0.016 0.000 2.249 280 K HA 0.052 4.372 4.320 -0.000 0.000 0.280 280 K C 0.746 177.331 176.600 -0.026 0.000 1.033 280 K CA 0.110 56.387 56.287 -0.017 0.000 0.946 280 K CB 1.260 33.755 32.500 -0.008 0.000 1.005 280 K HN 0.144 nan 8.250 nan 0.000 0.469 281 Q N 1.333 121.115 119.800 -0.029 0.000 2.061 281 Q HA -0.153 4.187 4.340 -0.000 0.000 0.204 281 Q C 1.781 177.758 176.000 -0.039 0.000 0.984 281 Q CA 1.506 57.288 55.803 -0.034 0.000 0.846 281 Q CB -0.070 28.648 28.738 -0.034 0.000 0.902 281 Q HN 0.481 nan 8.270 nan 0.000 0.421 282 L N 0.268 121.470 121.223 -0.036 0.000 2.131 282 L HA -0.158 4.182 4.340 -0.000 0.000 0.210 282 L C 2.457 179.302 176.870 -0.042 0.000 1.092 282 L CA 0.845 55.662 54.840 -0.038 0.000 0.759 282 L CB -0.570 41.470 42.059 -0.032 0.000 0.903 282 L HN 0.235 nan 8.230 nan 0.000 0.435 283 V N -3.778 116.115 119.914 -0.035 0.000 2.535 283 V HA -0.153 3.967 4.120 -0.000 0.000 0.246 283 V C 2.150 178.213 176.094 -0.051 0.000 1.045 283 V CA 0.849 63.127 62.300 -0.036 0.000 1.058 283 V CB -0.597 31.215 31.823 -0.019 0.000 0.689 283 V HN 0.399 nan 8.190 nan 0.000 0.461 284 Q N 0.875 120.645 119.800 -0.050 0.000 2.135 284 Q HA -0.138 4.202 4.340 -0.000 0.000 0.204 284 Q C 2.507 178.460 176.000 -0.078 0.000 0.981 284 Q CA 2.023 57.791 55.803 -0.058 0.000 0.856 284 Q CB -0.468 28.241 28.738 -0.049 0.000 0.902 284 Q HN 0.787 nan 8.270 nan 0.000 0.425 285 A N 1.568 124.340 122.820 -0.080 0.000 1.908 285 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 285 A C 1.935 179.432 177.584 -0.146 0.000 1.181 285 A CA 1.604 53.578 52.037 -0.105 0.000 0.627 285 A CB -0.302 18.646 19.000 -0.087 0.000 0.818 285 A HN 0.215 nan 8.150 nan 0.000 0.445 286 K N -0.431 119.894 120.400 -0.125 0.000 2.097 286 K HA 0.008 4.328 4.320 -0.000 0.000 0.205 286 K C 1.800 178.306 176.600 -0.157 0.000 1.050 286 K CA 1.280 57.477 56.287 -0.149 0.000 0.938 286 K CB -0.325 32.116 32.500 -0.099 0.000 0.718 286 K HN 0.475 nan 8.250 nan 0.000 0.442 287 L N 0.332 121.497 121.223 -0.097 0.000 2.109 287 L HA -0.079 4.261 4.340 -0.000 0.000 0.207 287 L C 2.600 179.428 176.870 -0.069 0.000 1.086 287 L CA 0.804 55.634 54.840 -0.016 0.000 0.760 287 L CB -0.576 41.475 42.059 -0.013 0.000 0.910 287 L HN 0.166 nan 8.230 nan 0.000 0.437 288 A N 0.195 122.927 122.820 -0.146 0.000 1.908 288 A HA -0.271 4.049 4.320 -0.000 0.000 0.218 288 A C 2.194 179.575 177.584 -0.339 0.000 1.181 288 A CA 2.065 53.977 52.037 -0.209 0.000 0.627 288 A CB -0.456 18.440 19.000 -0.172 0.000 0.818 288 A HN 0.384 nan 8.150 nan 0.000 0.445 289 E N -0.298 119.637 120.200 -0.442 0.000 2.072 289 E HA -0.138 4.212 4.350 -0.000 0.000 0.191 289 E C 2.021 178.039 176.600 -0.969 0.000 0.985 289 E CA 1.600 57.507 56.400 -0.822 0.000 0.801 289 E CB -0.335 28.802 29.700 -0.938 0.000 0.750 289 E HN 0.638 nan 8.360 nan 0.000 0.452 290 M N -0.453 118.809 119.600 -0.562 0.000 2.080 290 M HA -0.154 4.326 4.480 -0.000 0.000 0.260 290 M C 2.182 178.266 176.300 -0.360 0.000 1.068 290 M CA 1.166 56.288 55.300 -0.296 0.000 1.109 290 M CB -0.316 32.271 32.600 -0.022 0.000 1.342 290 M HN 0.218 nan 8.290 nan 0.000 0.405 291 L N 0.575 121.511 121.223 -0.478 0.000 2.056 291 L HA -0.073 4.267 4.340 -0.000 0.000 0.207 291 L C 2.584 179.249 176.870 -0.341 0.000 1.078 291 L CA 2.053 56.550 54.840 -0.572 0.000 0.749 291 L CB -0.847 40.853 42.059 -0.598 0.000 0.901 291 L HN 0.209 nan 8.230 nan 0.000 0.433 292 A N -1.057 121.563 122.820 -0.333 0.000 1.883 292 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 292 A C 2.049 179.596 177.584 -0.062 0.000 1.186 292 A CA 1.898 53.802 52.037 -0.222 0.000 0.624 292 A CB -1.187 17.655 19.000 -0.263 0.000 0.822 292 A HN 0.658 nan 8.150 nan 0.000 0.444 293 W N -0.534 120.685 121.300 -0.136 0.000 2.388 293 W HA -0.099 4.561 4.660 -0.000 0.000 0.294 293 W C 2.340 178.782 176.519 -0.129 0.000 1.212 293 W CA 1.020 58.292 57.345 -0.121 0.000 1.271 293 W CB -1.317 28.073 29.460 -0.116 0.000 1.126 293 W HN 0.658 nan 8.180 nan 0.000 0.535 294 H N -0.085 118.991 119.070 0.010 0.000 2.353 294 H HA -0.120 4.436 4.556 0.000 0.000 0.300 294 H C 1.628 176.899 175.328 -0.096 0.000 1.090 294 H CA 2.414 58.419 56.048 -0.072 0.000 1.327 294 H CB -0.149 29.506 29.762 -0.178 0.000 1.383 294 H HN -0.042 nan 8.280 nan 0.000 0.508 295 T N 0.779 115.299 114.554 -0.058 0.000 2.746 295 T HA -0.116 4.234 4.350 -0.000 0.000 0.267 295 T C 1.862 176.427 174.700 -0.224 0.000 1.039 295 T CA 1.509 63.502 62.100 -0.179 0.000 1.142 295 T CB -0.121 68.551 68.868 -0.327 0.000 0.866 295 T HN 0.490 nan 8.240 nan 0.000 0.444 296 E N 0.540 120.652 120.200 -0.146 0.000 2.077 296 E HA -0.046 4.304 4.350 -0.000 0.000 0.193 296 E C 2.574 179.098 176.600 -0.128 0.000 0.989 296 E CA 0.893 57.235 56.400 -0.097 0.000 0.800 296 E CB -0.379 29.319 29.700 -0.003 0.000 0.746 296 E HN 0.528 nan 8.360 nan 0.000 0.452 297 G N 1.198 109.896 108.800 -0.169 0.000 2.418 297 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.217 297 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.217 297 G C 1.568 176.252 174.900 -0.361 0.000 1.158 297 G CA 0.369 45.321 45.100 -0.246 0.000 0.771 297 G HN 0.084 nan 8.290 nan 0.000 0.545 298 L N -0.189 120.792 121.223 -0.404 0.000 2.046 298 L HA -0.035 4.305 4.340 -0.000 0.000 0.208 298 L C 2.965 179.673 176.870 -0.271 0.000 1.077 298 L CA 0.748 55.325 54.840 -0.439 0.000 0.747 298 L CB -0.373 41.487 42.059 -0.332 0.000 0.896 298 L HN 0.219 nan 8.230 nan 0.000 0.432 299 L N -0.665 120.482 121.223 -0.126 0.000 2.046 299 L HA -0.263 4.077 4.340 -0.000 0.000 0.208 299 L C 2.532 179.468 176.870 0.110 0.000 1.077 299 L CA 1.169 56.047 54.840 0.062 0.000 0.747 299 L CB -0.364 41.723 42.059 0.046 0.000 0.896 299 L HN 0.279 nan 8.230 nan 0.000 0.432 300 L N -0.693 120.499 121.223 -0.051 0.000 2.017 300 L HA -0.223 4.117 4.340 -0.000 0.000 0.208 300 L C 2.887 179.674 176.870 -0.137 0.000 1.073 300 L CA 1.300 56.098 54.840 -0.071 0.000 0.745 300 L CB -0.768 41.217 42.059 -0.124 0.000 0.894 300 L HN 0.264 nan 8.230 nan 0.000 0.432 301 A N -0.373 122.221 122.820 -0.377 0.000 1.877 301 A HA -0.289 4.031 4.320 -0.000 0.000 0.216 301 A C 1.999 179.443 177.584 -0.234 0.000 1.186 301 A CA 1.817 53.404 52.037 -0.750 0.000 0.620 301 A CB -1.160 16.710 19.000 -1.882 0.000 0.822 301 A HN 0.650 nan 8.150 nan 0.000 0.443 302 W N 0.825 121.976 121.300 -0.247 0.000 2.354 302 W HA -0.231 4.429 4.660 -0.000 0.000 0.315 302 W C 2.198 178.832 176.519 0.191 0.000 1.206 302 W CA 2.310 59.770 57.345 0.193 0.000 1.290 302 W CB -0.267 29.248 29.460 0.091 0.000 1.152 302 W HN 0.256 nan 8.180 nan 0.000 0.489 303 R N 0.533 120.932 120.500 -0.168 0.000 2.105 303 R HA -0.162 4.178 4.340 -0.000 0.000 0.239 303 R C 2.037 178.146 176.300 -0.318 0.000 1.135 303 R CA 1.953 57.725 56.100 -0.547 0.000 0.967 303 R CB -1.228 29.050 30.300 -0.037 0.000 0.861 303 R HN 0.364 nan 8.270 nan 0.000 0.442 304 L N -0.193 120.990 121.223 -0.068 0.000 2.156 304 L HA 0.158 4.498 4.340 -0.000 0.000 0.208 304 L C 2.086 179.033 176.870 0.128 0.000 1.095 304 L CA 1.738 56.613 54.840 0.059 0.000 0.770 304 L CB -0.661 41.505 42.059 0.179 0.000 0.914 304 L HN 0.295 nan 8.230 nan 0.000 0.439 305 A N -0.968 122.016 122.820 0.274 0.000 1.897 305 A HA -0.131 4.189 4.320 -0.000 0.000 0.215 305 A C 2.272 179.811 177.584 -0.075 0.000 1.181 305 A CA 0.998 53.192 52.037 0.262 0.000 0.620 305 A CB -0.310 18.976 19.000 0.477 0.000 0.821 305 A HN 0.249 nan 8.150 nan 0.000 0.443 306 R N -0.129 120.217 120.500 -0.257 0.000 2.075 306 R HA 0.035 4.375 4.340 -0.000 0.000 0.232 306 R C 1.941 178.122 176.300 -0.199 0.000 1.126 306 R CA 1.090 57.014 56.100 -0.293 0.000 0.963 306 R CB -1.212 28.758 30.300 -0.550 0.000 0.858 306 R HN 0.575 nan 8.270 nan 0.000 0.435 307 L N 0.598 121.707 121.223 -0.190 0.000 2.217 307 L HA -0.043 4.297 4.340 -0.000 0.000 0.211 307 L C 2.550 179.351 176.870 -0.115 0.000 1.107 307 L CA 1.057 55.821 54.840 -0.127 0.000 0.783 307 L CB -0.328 41.669 42.059 -0.103 0.000 0.919 307 L HN 0.139 nan 8.230 nan 0.000 0.442 308 K N 0.198 120.509 120.400 -0.149 0.000 2.025 308 K HA -0.186 4.134 4.320 -0.000 0.000 0.207 308 K C 1.580 178.088 176.600 -0.154 0.000 1.049 308 K CA 1.625 57.795 56.287 -0.195 0.000 0.933 308 K CB 0.044 32.312 32.500 -0.387 0.000 0.714 308 K HN 0.213 nan 8.250 nan 0.000 0.438 309 D N 0.894 121.211 120.400 -0.138 0.000 2.219 309 D HA -0.138 4.502 4.640 -0.000 0.000 0.205 309 D C 1.162 177.424 176.300 -0.062 0.000 0.970 309 D CA 1.093 55.037 54.000 -0.093 0.000 0.851 309 D CB 0.078 40.833 40.800 -0.075 0.000 0.943 309 D HN 0.577 nan 8.370 nan 0.000 0.488 310 E N -0.241 119.920 120.200 -0.064 0.000 2.437 310 E HA 0.235 4.585 4.350 -0.000 0.000 0.189 310 E C 1.034 177.612 176.600 -0.037 0.000 1.054 310 E CA 0.360 56.734 56.400 -0.043 0.000 0.874 310 E CB -0.035 29.640 29.700 -0.042 0.000 1.011 310 E HN 0.052 nan 8.360 nan 0.000 0.474 311 G N 2.103 110.876 108.800 -0.045 0.000 2.198 311 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.260 311 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.260 311 G C 0.580 175.462 174.900 -0.031 0.000 1.025 311 G CA 0.755 45.835 45.100 -0.034 0.000 0.769 311 G HN 0.368 nan 8.290 nan 0.000 0.507 312 K N -1.202 119.174 120.400 -0.041 0.000 2.374 312 K HA 0.297 4.617 4.320 -0.000 0.000 0.202 312 K C 0.829 177.408 176.600 -0.036 0.000 1.040 312 K CA -0.583 55.685 56.287 -0.033 0.000 1.085 312 K CB 0.732 33.213 32.500 -0.032 0.000 0.873 312 K HN 0.315 nan 8.250 nan 0.000 0.539 313 L N 2.728 123.922 121.223 -0.049 0.000 2.455 313 L HA 0.058 4.398 4.340 -0.000 0.000 0.272 313 L C 0.133 176.985 176.870 -0.029 0.000 1.174 313 L CA 0.727 55.539 54.840 -0.047 0.000 0.869 313 L CB 0.587 42.601 42.059 -0.074 0.000 1.130 313 L HN 0.137 nan 8.230 nan 0.000 0.474 314 T N 2.088 116.631 114.554 -0.018 0.000 2.940 314 T HA 0.582 4.932 4.350 -0.000 0.000 0.288 314 T C -2.018 172.680 174.700 -0.002 0.000 1.033 314 T CA -1.784 60.311 62.100 -0.008 0.000 1.033 314 T CB 1.607 70.473 68.868 -0.003 0.000 1.079 314 T HN 0.462 nan 8.240 nan 0.000 0.496 315 P HA -0.012 nan 4.420 nan 0.000 0.215 315 P C 1.694 179.007 177.300 0.021 0.000 1.153 315 P CA 1.539 64.647 63.100 0.012 0.000 0.853 315 P CB -0.246 31.463 31.700 0.014 0.000 0.788 316 A N -0.293 122.541 122.820 0.022 0.000 1.940 316 A HA -0.284 4.036 4.320 -0.000 0.000 0.219 316 A C 2.233 179.821 177.584 0.005 0.000 1.176 316 A CA 1.684 53.736 52.037 0.026 0.000 0.631 316 A CB -1.326 17.688 19.000 0.023 0.000 0.814 316 A HN 0.217 nan 8.150 nan 0.000 0.446 317 Q N -0.604 119.196 119.800 -0.001 0.000 2.084 317 Q HA -0.125 4.215 4.340 -0.000 0.000 0.202 317 Q C 2.157 178.147 176.000 -0.017 0.000 0.978 317 Q CA 1.670 57.468 55.803 -0.009 0.000 0.844 317 Q CB -0.389 28.346 28.738 -0.006 0.000 0.898 317 Q HN 0.501 nan 8.270 nan 0.000 0.426 318 V N 0.389 120.299 119.914 -0.007 0.000 2.343 318 V HA -0.247 3.873 4.120 -0.000 0.000 0.247 318 V C 2.224 178.261 176.094 -0.094 0.000 1.051 318 V CA 1.800 64.093 62.300 -0.011 0.000 1.036 318 V CB -0.485 31.351 31.823 0.021 0.000 0.654 318 V HN 0.291 nan 8.190 nan 0.000 0.451 319 S N 0.091 115.740 115.700 -0.085 0.000 2.383 319 S HA -0.189 4.281 4.470 -0.000 0.000 0.229 319 S C 1.879 176.325 174.600 -0.256 0.000 1.030 319 S CA 1.845 59.927 58.200 -0.197 0.000 1.002 319 S CB -0.404 62.856 63.200 0.100 0.000 0.829 319 S HN 0.487 nan 8.310 nan 0.000 0.467 320 L N 1.950 123.096 121.223 -0.128 0.000 2.027 320 L HA 0.086 4.426 4.340 -0.000 0.000 0.206 320 L C 2.217 179.006 176.870 -0.135 0.000 1.074 320 L CA 2.147 56.919 54.840 -0.114 0.000 0.745 320 L CB -1.401 40.620 42.059 -0.063 0.000 0.898 320 L HN 0.201 nan 8.230 nan 0.000 0.433 321 A N -0.512 122.230 122.820 -0.129 0.000 1.929 321 A HA -0.140 4.180 4.320 -0.000 0.000 0.216 321 A C 2.389 179.873 177.584 -0.167 0.000 1.176 321 A CA 1.490 53.444 52.037 -0.139 0.000 0.628 321 A CB -0.577 18.345 19.000 -0.129 0.000 0.816 321 A HN 0.449 nan 8.150 nan 0.000 0.444 322 K N 0.167 120.438 120.400 -0.214 0.000 2.001 322 K HA -0.147 4.173 4.320 -0.000 0.000 0.208 322 K C 2.285 178.770 176.600 -0.191 0.000 1.048 322 K CA 1.368 57.523 56.287 -0.221 0.000 0.932 322 K CB -0.428 31.871 32.500 -0.336 0.000 0.715 322 K HN 0.440 nan 8.250 nan 0.000 0.437 323 R N 0.576 120.898 120.500 -0.296 0.000 2.097 323 R HA -0.179 4.161 4.340 -0.000 0.000 0.236 323 R C 2.142 178.416 176.300 -0.043 0.000 1.135 323 R CA 1.740 57.718 56.100 -0.205 0.000 0.934 323 R CB -0.220 29.898 30.300 -0.303 0.000 0.846 323 R HN 0.267 nan 8.270 nan 0.000 0.431 324 Q N 0.607 120.367 119.800 -0.068 0.000 2.002 324 Q HA -0.140 4.200 4.340 -0.000 0.000 0.204 324 Q C 1.952 177.934 176.000 -0.031 0.000 0.988 324 Q CA 2.017 57.810 55.803 -0.017 0.000 0.843 324 Q CB -0.756 27.945 28.738 -0.061 0.000 0.908 324 Q HN 0.576 nan 8.270 nan 0.000 0.420 325 N N -0.256 118.398 118.700 -0.076 0.000 2.120 325 N HA -0.119 4.621 4.740 -0.000 0.000 0.188 325 N C 1.918 177.405 175.510 -0.039 0.000 1.024 325 N CA 1.214 54.206 53.050 -0.096 0.000 0.852 325 N CB 0.051 38.455 38.487 -0.138 0.000 1.003 325 N HN -0.012 nan 8.380 nan 0.000 0.424 326 V N 0.910 120.848 119.914 0.039 0.000 2.343 326 V HA -0.224 3.896 4.120 -0.000 0.000 0.247 326 V C 1.877 178.090 176.094 0.199 0.000 1.051 326 V CA 1.371 63.743 62.300 0.120 0.000 1.036 326 V CB -0.701 31.235 31.823 0.188 0.000 0.654 326 V HN 0.554 nan 8.190 nan 0.000 0.451 327 W N 1.280 122.601 121.300 0.035 0.000 2.335 327 W HA -0.231 4.429 4.660 -0.000 0.000 0.311 327 W C 2.444 178.774 176.519 -0.315 0.000 1.213 327 W CA 1.694 59.003 57.345 -0.060 0.000 1.274 327 W CB 0.010 29.499 29.460 0.048 0.000 1.148 327 W HN 0.209 nan 8.180 nan 0.000 0.498 328 K N 0.152 120.317 120.400 -0.391 0.000 2.057 328 K HA -0.166 4.154 4.320 -0.000 0.000 0.207 328 K C 2.295 178.649 176.600 -0.409 0.000 1.049 328 K CA 1.648 57.434 56.287 -0.835 0.000 0.931 328 K CB -0.603 31.456 32.500 -0.735 0.000 0.714 328 K HN 0.124 nan 8.250 nan 0.000 0.440 329 A N 1.355 124.061 122.820 -0.190 0.000 1.902 329 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 329 A C 2.102 179.610 177.584 -0.127 0.000 1.181 329 A CA 1.146 53.126 52.037 -0.095 0.000 0.623 329 A CB -0.501 18.464 19.000 -0.058 0.000 0.818 329 A HN 0.233 nan 8.150 nan 0.000 0.443 330 L N -0.070 121.049 121.223 -0.174 0.000 2.017 330 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 330 L C 2.475 179.156 176.870 -0.316 0.000 1.073 330 L CA 2.395 57.108 54.840 -0.212 0.000 0.745 330 L CB -0.882 41.031 42.059 -0.244 0.000 0.894 330 L HN 0.515 nan 8.230 nan 0.000 0.432 331 Q N -0.574 118.897 119.800 -0.549 0.000 2.061 331 Q HA -0.204 4.136 4.340 -0.000 0.000 0.204 331 Q C 2.255 178.178 176.000 -0.128 0.000 0.984 331 Q CA 1.841 57.334 55.803 -0.515 0.000 0.846 331 Q CB -0.466 27.764 28.738 -0.845 0.000 0.902 331 Q HN 0.696 nan 8.270 nan 0.000 0.421 332 A N 1.001 123.829 122.820 0.014 0.000 1.933 332 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 332 A C 2.281 179.867 177.584 0.003 0.000 1.175 332 A CA 1.567 53.672 52.037 0.112 0.000 0.628 332 A CB -0.746 18.358 19.000 0.173 0.000 0.814 332 A HN 0.407 nan 8.150 nan 0.000 0.444 333 A N -0.206 122.588 122.820 -0.042 0.000 1.930 333 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 333 A C 2.236 179.785 177.584 -0.059 0.000 1.175 333 A CA 1.461 53.473 52.037 -0.042 0.000 0.627 333 A CB -0.384 18.596 19.000 -0.033 0.000 0.815 333 A HN 0.563 nan 8.150 nan 0.000 0.443 334 R N -1.158 119.292 120.500 -0.083 0.000 2.073 334 R HA 0.055 4.395 4.340 -0.000 0.000 0.229 334 R C 2.223 178.478 176.300 -0.075 0.000 1.120 334 R CA 1.538 57.586 56.100 -0.086 0.000 0.967 334 R CB -0.352 29.881 30.300 -0.112 0.000 0.862 334 R HN 0.489 nan 8.270 nan 0.000 0.436 335 M N 0.047 119.609 119.600 -0.063 0.000 2.213 335 M HA -0.120 4.360 4.480 -0.000 0.000 0.263 335 M C 2.324 178.583 176.300 -0.070 0.000 1.062 335 M CA 1.516 56.782 55.300 -0.057 0.000 1.105 335 M CB -0.123 32.452 32.600 -0.041 0.000 1.385 335 M HN 0.280 nan 8.290 nan 0.000 0.417 336 A N -0.187 122.591 122.820 -0.069 0.000 1.897 336 A HA -0.109 4.211 4.320 -0.000 0.000 0.215 336 A C 2.179 179.672 177.584 -0.152 0.000 1.181 336 A CA 1.093 53.072 52.037 -0.096 0.000 0.620 336 A CB -0.484 18.476 19.000 -0.067 0.000 0.821 336 A HN 0.280 nan 8.150 nan 0.000 0.443 337 R N 0.479 120.900 120.500 -0.130 0.000 2.081 337 R HA -0.166 4.174 4.340 -0.000 0.000 0.235 337 R C 1.711 177.914 176.300 -0.162 0.000 1.131 337 R CA 2.006 58.011 56.100 -0.158 0.000 0.960 337 R CB -0.819 29.416 30.300 -0.108 0.000 0.856 337 R HN 0.571 nan 8.270 nan 0.000 0.436 338 D N 0.256 120.587 120.400 -0.116 0.000 2.104 338 D HA -0.140 4.500 4.640 -0.000 0.000 0.194 338 D C 2.061 178.301 176.300 -0.099 0.000 0.994 338 D CA 1.403 55.349 54.000 -0.091 0.000 0.830 338 D CB -0.188 40.572 40.800 -0.067 0.000 0.959 338 D HN 0.308 nan 8.370 nan 0.000 0.452 339 I N -0.002 120.500 120.570 -0.114 0.000 2.286 339 I HA -0.214 3.956 4.170 -0.000 0.000 0.248 339 I C 2.303 178.318 176.117 -0.171 0.000 1.115 339 I CA 0.570 61.815 61.300 -0.091 0.000 1.392 339 I CB -0.140 37.812 38.000 -0.080 0.000 1.065 339 I HN 0.098 nan 8.210 nan 0.000 0.418 340 L N 0.285 121.243 121.223 -0.442 0.000 2.376 340 L HA 0.033 4.373 4.340 -0.000 0.000 0.219 340 L C 1.592 178.176 176.870 -0.478 0.000 1.133 340 L CA 0.575 54.832 54.840 -0.971 0.000 0.816 340 L CB -1.080 40.342 42.059 -1.063 0.000 0.933 340 L HN 0.514 nan 8.230 nan 0.000 0.449 341 G N 0.166 108.837 108.800 -0.215 0.000 2.566 341 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.280 341 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.280 341 G C 0.875 175.706 174.900 -0.114 0.000 1.225 341 G CA -0.040 45.004 45.100 -0.092 0.000 0.966 341 G HN 0.319 nan 8.290 nan 0.000 0.560 342 G N -0.769 107.999 108.800 -0.053 0.000 2.469 342 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.220 342 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.220 342 G C 2.125 176.978 174.900 -0.078 0.000 1.136 342 G CA 2.187 47.259 45.100 -0.047 0.000 0.759 342 G HN 1.403 nan 8.290 nan 0.000 0.562 343 S N 0.562 116.191 115.700 -0.119 0.000 2.442 343 S HA -0.035 4.435 4.470 -0.000 0.000 0.236 343 S C 2.320 176.729 174.600 -0.318 0.000 1.007 343 S CA 0.941 59.026 58.200 -0.192 0.000 0.965 343 S CB -0.238 62.781 63.200 -0.303 0.000 0.773 343 S HN 0.545 nan 8.310 nan 0.000 0.504 344 G N 1.700 110.282 108.800 -0.364 0.000 2.744 344 G HA2 0.034 3.994 3.960 -0.000 0.000 0.211 344 G HA3 0.034 3.994 3.960 -0.000 0.000 0.211 344 G C 1.142 175.964 174.900 -0.130 0.000 1.143 344 G CA 0.249 45.172 45.100 -0.295 0.000 0.788 344 G HN 0.689 nan 8.290 nan 0.000 0.534 345 I N -2.107 118.412 120.570 -0.085 0.000 3.684 345 I HA 0.319 4.489 4.170 -0.000 0.000 0.304 345 I C 0.106 176.217 176.117 -0.009 0.000 1.278 345 I CA 0.069 61.346 61.300 -0.039 0.000 1.272 345 I CB 0.269 38.254 38.000 -0.024 0.000 1.029 345 I HN -0.250 nan 8.210 nan 0.000 0.458 346 T N 1.370 115.925 114.554 0.002 0.000 2.888 346 T HA 0.469 4.819 4.350 -0.000 0.000 0.284 346 T C 0.767 175.471 174.700 0.007 0.000 1.017 346 T CA -0.549 61.565 62.100 0.023 0.000 1.022 346 T CB 2.241 71.136 68.868 0.045 0.000 1.013 346 T HN 0.140 nan 8.240 nan 0.000 0.465 347 L N 1.815 123.030 121.223 -0.013 0.000 2.749 347 L HA 0.050 4.390 4.340 -0.000 0.000 0.245 347 L C 2.129 178.915 176.870 -0.141 0.000 1.156 347 L CA 0.826 55.621 54.840 -0.075 0.000 0.890 347 L CB -0.241 41.809 42.059 -0.015 0.000 1.036 347 L HN 0.747 nan 8.230 nan 0.000 0.441 348 E N -0.490 119.651 120.200 -0.099 0.000 2.445 348 E HA -0.119 4.231 4.350 -0.000 0.000 0.189 348 E C 0.443 176.773 176.600 -0.450 0.000 1.069 348 E CA 0.351 56.618 56.400 -0.222 0.000 0.871 348 E CB 0.348 29.992 29.700 -0.093 0.000 0.991 348 E HN 0.532 nan 8.360 nan 0.000 0.481 349 Y N -1.677 118.446 120.300 -0.296 0.000 2.666 349 Y HA 0.127 4.676 4.550 -0.000 0.000 0.260 349 Y C 0.595 176.363 175.900 -0.221 0.000 1.089 349 Y CA -0.076 57.848 58.100 -0.293 0.000 1.246 349 Y CB 0.596 38.923 38.460 -0.221 0.000 1.353 349 Y HN 0.151 nan 8.280 nan 0.000 0.558 350 H N -1.878 117.155 119.070 -0.062 0.000 5.017 350 H HA -0.337 4.219 4.556 0.000 0.000 0.071 350 H C 2.078 177.389 175.328 -0.028 0.000 0.562 350 H CA 1.487 57.480 56.048 -0.093 0.000 1.051 350 H CB -1.763 28.013 29.762 0.023 0.000 0.480 350 H HN 0.363 nan 8.280 nan 0.000 0.749 351 A N 1.293 124.207 122.820 0.158 0.000 1.915 351 A HA -0.220 4.100 4.320 -0.000 0.000 0.220 351 A C 2.615 180.198 177.584 -0.001 0.000 1.198 351 A CA 2.586 54.667 52.037 0.072 0.000 0.647 351 A CB -0.971 18.017 19.000 -0.021 0.000 0.825 351 A HN 0.539 nan 8.150 nan 0.000 0.456 352 I N -1.525 119.005 120.570 -0.066 0.000 2.546 352 I HA -0.145 4.025 4.170 -0.000 0.000 0.255 352 I C 2.562 178.547 176.117 -0.220 0.000 1.163 352 I CA 1.169 62.402 61.300 -0.111 0.000 1.457 352 I CB -0.159 37.782 38.000 -0.099 0.000 1.092 352 I HN 0.425 nan 8.210 nan 0.000 0.434 353 R N -0.281 119.993 120.500 -0.376 0.000 2.075 353 R HA -0.190 4.149 4.340 -0.000 0.000 0.232 353 R C 2.368 178.375 176.300 -0.489 0.000 1.126 353 R CA 1.400 57.037 56.100 -0.772 0.000 0.963 353 R CB -0.289 29.442 30.300 -0.948 0.000 0.858 353 R HN 0.429 nan 8.270 nan 0.000 0.435 354 H N 0.264 119.205 119.070 -0.215 0.000 2.357 354 H HA -0.149 4.407 4.556 -0.000 0.000 0.301 354 H C 2.066 177.344 175.328 -0.084 0.000 1.082 354 H CA 1.809 57.786 56.048 -0.119 0.000 1.342 354 H CB -0.276 29.432 29.762 -0.090 0.000 1.389 354 H HN 0.293 nan 8.280 nan 0.000 0.511 355 M N 0.467 120.083 119.600 0.026 0.000 2.082 355 M HA -0.196 4.284 4.480 -0.000 0.000 0.258 355 M C 2.137 178.439 176.300 0.002 0.000 1.069 355 M CA 1.601 56.896 55.300 -0.008 0.000 1.102 355 M CB -0.191 32.389 32.600 -0.033 0.000 1.336 355 M HN 0.170 nan 8.290 nan 0.000 0.404 356 L N -0.238 120.989 121.223 0.007 0.000 2.056 356 L HA -0.241 4.099 4.340 -0.000 0.000 0.207 356 L C 1.986 178.929 176.870 0.121 0.000 1.078 356 L CA 1.638 56.531 54.840 0.088 0.000 0.749 356 L CB -0.828 41.348 42.059 0.195 0.000 0.901 356 L HN 0.459 nan 8.230 nan 0.000 0.433 357 N N -0.017 118.752 118.700 0.115 0.000 2.084 357 N HA -0.190 4.550 4.740 -0.000 0.000 0.190 357 N C 1.848 177.397 175.510 0.065 0.000 1.030 357 N CA 0.904 54.037 53.050 0.140 0.000 0.849 357 N CB -0.123 38.445 38.487 0.135 0.000 1.012 357 N HN 0.233 nan 8.380 nan 0.000 0.423 358 L N 0.717 121.975 121.223 0.057 0.000 2.353 358 L HA -0.134 4.206 4.340 -0.000 0.000 0.220 358 L C 2.117 179.015 176.870 0.047 0.000 1.133 358 L CA 0.708 55.572 54.840 0.040 0.000 0.798 358 L CB -0.155 41.920 42.059 0.027 0.000 0.922 358 L HN 0.216 nan 8.230 nan 0.000 0.445 359 E N -0.498 119.724 120.200 0.038 0.000 2.208 359 E HA -0.141 4.209 4.350 -0.000 0.000 0.193 359 E C 2.001 178.628 176.600 0.044 0.000 0.988 359 E CA 1.184 57.625 56.400 0.068 0.000 0.828 359 E CB 0.151 29.878 29.700 0.046 0.000 0.763 359 E HN 0.219 nan 8.360 nan 0.000 0.478 360 T N -0.837 113.676 114.554 -0.068 0.000 2.852 360 T HA -0.046 4.304 4.350 -0.000 0.000 0.256 360 T C 1.766 176.143 174.700 -0.537 0.000 1.038 360 T CA 1.101 63.047 62.100 -0.257 0.000 1.141 360 T CB -0.119 68.598 68.868 -0.251 0.000 0.869 360 T HN -0.006 nan 8.240 nan 0.000 0.439 361 V N 0.959 120.585 119.914 -0.481 0.000 2.392 361 V HA -0.183 3.937 4.120 -0.000 0.000 0.249 361 V C 2.068 178.122 176.094 -0.066 0.000 1.059 361 V CA 1.619 63.655 62.300 -0.439 0.000 1.051 361 V CB -0.791 30.992 31.823 -0.067 0.000 0.658 361 V HN 0.535 nan 8.190 nan 0.000 0.455 362 Y N 1.277 121.522 120.300 -0.091 0.000 2.333 362 Y HA -0.191 4.359 4.550 0.000 0.000 0.290 362 Y C 2.400 178.315 175.900 0.025 0.000 1.144 362 Y CA 2.010 60.126 58.100 0.027 0.000 1.228 362 Y CB -0.259 38.238 38.460 0.062 0.000 0.985 362 Y HN 0.247 nan 8.280 nan 0.000 0.542 363 T N 0.071 114.577 114.554 -0.080 0.000 3.004 363 T HA 0.017 4.367 4.350 -0.000 0.000 0.243 363 T C -0.034 174.671 174.700 0.010 0.000 1.020 363 T CA 0.620 62.648 62.100 -0.120 0.000 1.145 363 T CB -0.462 68.337 68.868 -0.115 0.000 0.876 363 T HN 0.274 nan 8.240 nan 0.000 0.449 364 Y N 1.511 121.801 120.300 -0.017 0.000 2.260 364 Y HA 0.443 4.993 4.550 0.000 0.000 0.339 364 Y C 0.578 176.497 175.900 0.032 0.000 1.317 364 Y CA -1.979 56.124 58.100 0.005 0.000 1.514 364 Y CB -0.180 38.296 38.460 0.027 0.000 1.382 364 Y HN 0.167 nan 8.280 nan 0.000 0.581 365 E N -0.375 119.957 120.200 0.220 0.000 2.586 365 E HA -0.148 4.202 4.350 -0.000 0.000 0.259 365 E C 0.348 177.071 176.600 0.206 0.000 1.107 365 E CA 1.388 57.854 56.400 0.109 0.000 0.754 365 E CB -1.929 27.824 29.700 0.088 0.000 1.335 365 E HN 1.592 nan 8.360 nan 0.000 0.411 366 G N 0.285 109.137 108.800 0.087 0.000 3.409 366 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.686 366 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.686 366 G C 0.302 175.127 174.900 -0.124 0.000 1.017 366 G CA 0.135 45.151 45.100 -0.140 0.000 0.854 366 G HN 0.634 nan 8.290 nan 0.000 0.508 367 T N 0.628 115.073 114.554 -0.182 0.000 2.748 367 T HA 0.305 4.655 4.350 -0.000 0.000 0.304 367 T C 1.461 176.039 174.700 -0.203 0.000 1.041 367 T CA 0.560 62.539 62.100 -0.201 0.000 1.033 367 T CB 1.108 69.855 68.868 -0.201 0.000 0.995 367 T HN 0.832 nan 8.240 nan 0.000 0.536 368 H N 0.700 119.515 119.070 -0.424 0.000 2.353 368 H HA -0.139 4.417 4.556 0.000 0.000 0.298 368 H C 1.390 176.585 175.328 -0.222 0.000 1.103 368 H CA 2.496 58.347 56.048 -0.328 0.000 1.293 368 H CB -0.205 29.222 29.762 -0.558 0.000 1.372 368 H HN 0.684 nan 8.280 nan 0.000 0.501 369 D N 0.169 120.501 120.400 -0.113 0.000 2.144 369 D HA -0.123 4.517 4.640 -0.000 0.000 0.200 369 D C 2.390 178.578 176.300 -0.187 0.000 0.978 369 D CA 1.359 55.284 54.000 -0.125 0.000 0.833 369 D CB -0.216 40.520 40.800 -0.108 0.000 0.961 369 D HN 0.454 nan 8.370 nan 0.000 0.470 370 V N -0.679 119.119 119.914 -0.194 0.000 2.515 370 V HA -0.159 3.961 4.120 -0.000 0.000 0.250 370 V C 2.061 178.050 176.094 -0.174 0.000 1.058 370 V CA 1.442 63.663 62.300 -0.132 0.000 1.064 370 V CB -0.665 31.088 31.823 -0.116 0.000 0.675 370 V HN 0.159 nan 8.190 nan 0.000 0.461 371 H N 0.844 119.856 119.070 -0.096 0.000 2.428 371 H HA -0.008 4.548 4.556 -0.000 0.000 0.296 371 H C 2.539 177.769 175.328 -0.163 0.000 1.062 371 H CA 1.938 57.917 56.048 -0.115 0.000 1.350 371 H CB -0.560 29.095 29.762 -0.179 0.000 1.403 371 H HN 0.480 nan 8.280 nan 0.000 0.533 372 T N 1.871 116.339 114.554 -0.143 0.000 2.746 372 T HA -0.089 4.261 4.350 -0.000 0.000 0.267 372 T C 2.185 176.774 174.700 -0.186 0.000 1.039 372 T CA 0.548 62.548 62.100 -0.167 0.000 1.142 372 T CB -0.105 68.661 68.868 -0.170 0.000 0.866 372 T HN 0.071 nan 8.240 nan 0.000 0.444 373 L N 0.965 121.999 121.223 -0.314 0.000 2.093 373 L HA -0.007 4.333 4.340 -0.000 0.000 0.208 373 L C 2.617 179.325 176.870 -0.270 0.000 1.085 373 L CA 1.203 55.690 54.840 -0.589 0.000 0.755 373 L CB -1.491 39.631 42.059 -1.561 0.000 0.904 373 L HN 0.180 nan 8.230 nan 0.000 0.435 374 V N -0.075 119.864 119.914 0.042 0.000 2.261 374 V HA -0.295 3.825 4.120 -0.000 0.000 0.246 374 V C 2.613 178.757 176.094 0.083 0.000 1.047 374 V CA 1.487 63.914 62.300 0.212 0.000 1.015 374 V CB -0.344 31.604 31.823 0.207 0.000 0.642 374 V HN 0.315 nan 8.190 nan 0.000 0.446 375 L N 0.156 121.393 121.223 0.023 0.000 2.046 375 L HA -0.088 4.252 4.340 -0.000 0.000 0.208 375 L C 2.670 179.530 176.870 -0.017 0.000 1.077 375 L CA 1.761 56.600 54.840 -0.002 0.000 0.747 375 L CB -1.242 40.802 42.059 -0.025 0.000 0.896 375 L HN 0.480 nan 8.230 nan 0.000 0.432 376 G N -0.348 108.421 108.800 -0.053 0.000 2.440 376 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.218 376 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.218 376 G C 1.779 176.662 174.900 -0.028 0.000 1.154 376 G CA 0.598 45.661 45.100 -0.060 0.000 0.767 376 G HN 0.224 nan 8.290 nan 0.000 0.552 377 R N 0.328 120.829 120.500 0.001 0.000 2.066 377 R HA -0.041 4.299 4.340 -0.000 0.000 0.232 377 R C 2.335 178.660 176.300 0.041 0.000 1.131 377 R CA 1.368 57.500 56.100 0.053 0.000 0.955 377 R CB -0.403 29.994 30.300 0.161 0.000 0.851 377 R HN 0.309 nan 8.270 nan 0.000 0.432 378 E N 0.496 120.719 120.200 0.039 0.000 2.110 378 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 378 E C 2.049 178.657 176.600 0.013 0.000 0.988 378 E CA 1.238 57.653 56.400 0.026 0.000 0.804 378 E CB -0.060 29.655 29.700 0.025 0.000 0.745 378 E HN 0.435 nan 8.360 nan 0.000 0.458 379 I N 0.326 120.900 120.570 0.007 0.000 2.286 379 I HA -0.202 3.968 4.170 -0.000 0.000 0.245 379 I C 2.564 178.682 176.117 0.001 0.000 1.104 379 I CA 1.614 62.914 61.300 0.001 0.000 1.397 379 I CB -0.184 37.813 38.000 -0.005 0.000 1.072 379 I HN 0.126 nan 8.210 nan 0.000 0.417 380 T N -2.958 111.596 114.554 0.001 0.000 3.015 380 T HA 0.279 4.629 4.350 -0.000 0.000 0.250 380 T C 1.634 176.338 174.700 0.006 0.000 1.057 380 T CA 0.534 62.635 62.100 0.001 0.000 1.066 380 T CB 0.638 69.503 68.868 -0.004 0.000 0.959 380 T HN 0.462 nan 8.240 nan 0.000 0.488 381 G N 1.401 110.209 108.800 0.013 0.000 2.159 381 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.256 381 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.256 381 G C -0.126 174.786 174.900 0.020 0.000 0.977 381 G CA 0.313 45.422 45.100 0.016 0.000 0.652 381 G HN 0.644 nan 8.290 nan 0.000 0.531 382 L N 0.017 121.253 121.223 0.022 0.000 2.329 382 L HA 0.460 4.800 4.340 -0.000 0.000 0.279 382 L C 0.282 177.181 176.870 0.048 0.000 1.014 382 L CA -0.921 53.934 54.840 0.025 0.000 0.814 382 L CB 1.862 43.928 42.059 0.011 0.000 1.257 382 L HN 0.208 nan 8.230 nan 0.000 0.424 383 N N 1.220 119.962 118.700 0.070 0.000 2.414 383 N HA 0.392 5.132 4.740 -0.000 0.000 0.256 383 N C 0.242 175.818 175.510 0.110 0.000 1.029 383 N CA -0.032 53.104 53.050 0.143 0.000 0.948 383 N CB 1.380 39.951 38.487 0.140 0.000 1.102 383 N HN 0.771 nan 8.380 nan 0.000 0.496 384 A N 3.826 126.683 122.820 0.061 0.000 2.431 384 A HA 0.250 4.570 4.320 -0.000 0.000 0.239 384 A C 0.002 177.552 177.584 -0.057 0.000 1.230 384 A CA -0.441 51.575 52.037 -0.036 0.000 0.928 384 A CB -0.108 18.821 19.000 -0.119 0.000 1.006 384 A HN 0.587 nan 8.150 nan 0.000 0.520 385 F N 0.000 119.935 119.950 -0.025 0.000 2.286 385 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 385 F CA 0.000 57.984 58.000 -0.027 0.000 1.383 385 F CB 0.000 38.983 39.000 -0.029 0.000 1.145 385 F HN 0.000 nan 8.300 nan 0.000 0.574