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 1tw2_1_B DATA FIRST_RESID 3 DATA SEQUENCE EPTVAARPQQ IDALRTLIRL GSLHTPMVVR TAATLRLVDH ILAGARTVKA DATA SEQUENCE LAARTDTRPE ALLRLIRHLV AIGLLEEDAP GEFVPTEVGE LLADDHPAAQ DATA SEQUENCE RAWHDLTQAV ARADISFTRL PDAIRTGRPT YESIYGKPFY EDLAGRPDLR DATA SEQUENCE ASFDSLLACD QDVAFDAPAA AYDWTNVRHV LDVGGGKGGF AAAIARRAPH DATA SEQUENCE VSATVLEMAG TVDTARSYLK DEGLSDRVDV VEGDFFEPLP RKADAIILSF DATA SEQUENCE VLLNWPDHDA VRILTRCAEA LEPGGRILIH ERDDLHENSF NEQFTELDLR DATA SEQUENCE MLVFLGGALR TREKWDGLAA SAGLVVEEVR QLPSPTIPYD LSLLVLAPAA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 E HA 0.000 nan 4.350 nan 0.000 0.291 3 E C 0.000 176.600 176.600 0.001 0.000 1.382 3 E CA 0.000 56.400 56.400 0.001 0.000 0.976 3 E CB 0.000 29.700 29.700 0.001 0.000 0.812 4 P HA 0.394 nan 4.420 nan 0.000 0.274 4 P C -0.989 176.311 177.300 0.001 0.000 1.246 4 P CA -0.566 62.535 63.100 0.001 0.000 0.795 4 P CB 0.542 32.242 31.700 0.001 0.000 1.006 5 T N 0.366 114.920 114.554 0.001 0.000 2.794 5 T HA 0.488 4.838 4.350 0.000 0.000 0.280 5 T C -0.571 174.130 174.700 0.001 0.000 0.987 5 T CA -0.604 61.497 62.100 0.001 0.000 0.993 5 T CB 1.244 70.112 68.868 0.001 0.000 0.939 5 T HN 0.428 nan 8.240 nan 0.000 0.449 6 V N 1.321 121.236 119.914 0.001 0.000 2.531 6 V HA 0.860 4.980 4.120 0.000 0.000 0.301 6 V C -0.411 175.684 176.094 0.002 0.000 1.034 6 V CA -1.013 61.288 62.300 0.002 0.000 0.865 6 V CB 1.199 33.023 31.823 0.002 0.000 0.995 6 V HN 1.018 nan 8.190 nan 0.000 0.424 7 A N 5.815 128.636 122.820 0.002 0.000 2.910 7 A HA 0.861 5.181 4.320 0.000 0.000 0.316 7 A C 0.740 178.325 177.584 0.003 0.000 1.493 7 A CA 0.176 52.215 52.037 0.002 0.000 1.150 7 A CB -0.438 18.564 19.000 0.002 0.000 1.159 7 A HN 1.974 nan 8.150 nan 0.000 0.526 8 A N 2.262 125.083 122.820 0.003 0.000 2.366 8 A HA 0.616 4.937 4.320 0.000 0.000 0.249 8 A C 0.662 178.248 177.584 0.003 0.000 1.084 8 A CA -0.304 51.735 52.037 0.003 0.000 0.794 8 A CB 0.262 19.263 19.000 0.003 0.000 1.034 8 A HN 0.806 nan 8.150 nan 0.000 0.491 9 R N 0.654 121.156 120.500 0.004 0.000 2.532 9 R HA 0.469 4.810 4.340 0.000 0.000 0.272 9 R C -2.183 174.119 176.300 0.004 0.000 1.032 9 R CA -1.310 54.793 56.100 0.005 0.000 1.089 9 R CB 0.150 30.453 30.300 0.005 0.000 1.098 9 R HN 0.630 nan 8.270 nan 0.000 0.526 10 P HA -0.001 nan 4.420 nan 0.000 0.272 10 P C -0.273 177.030 177.300 0.005 0.000 1.223 10 P CA -0.301 62.802 63.100 0.005 0.000 0.784 10 P CB 0.878 32.581 31.700 0.005 0.000 0.923 11 Q N 1.147 120.950 119.800 0.004 0.000 2.030 11 Q HA -0.168 4.172 4.340 0.000 0.000 0.204 11 Q C 1.121 177.123 176.000 0.004 0.000 0.986 11 Q CA 1.778 57.583 55.803 0.004 0.000 0.843 11 Q CB -0.186 28.553 28.738 0.003 0.000 0.904 11 Q HN 0.666 nan 8.270 nan 0.000 0.420 12 Q N 0.182 119.984 119.800 0.004 0.000 2.579 12 Q HA 0.265 4.605 4.340 0.000 0.000 0.344 12 Q C 1.152 177.155 176.000 0.006 0.000 0.997 12 Q CA -0.211 55.594 55.803 0.005 0.000 0.991 12 Q CB -0.089 28.651 28.738 0.004 0.000 1.279 12 Q HN 0.267 nan 8.270 nan 0.000 0.420 13 I N 0.369 120.943 120.570 0.007 0.000 2.614 13 I HA -0.249 3.921 4.170 0.000 0.000 0.258 13 I C 0.884 177.006 176.117 0.010 0.000 1.189 13 I CA 1.200 62.505 61.300 0.008 0.000 1.462 13 I CB 0.362 38.367 38.000 0.008 0.000 1.092 13 I HN 0.317 nan 8.210 nan 0.000 0.442 14 D N 1.142 121.547 120.400 0.008 0.000 2.110 14 D HA -0.082 4.558 4.640 0.000 0.000 0.202 14 D C 2.261 178.567 176.300 0.009 0.000 0.975 14 D CA 1.425 55.431 54.000 0.009 0.000 0.839 14 D CB -0.249 40.555 40.800 0.007 0.000 0.996 14 D HN 0.422 nan 8.370 nan 0.000 0.464 15 A N 1.126 123.950 122.820 0.007 0.000 1.948 15 A HA -0.162 4.159 4.320 0.000 0.000 0.220 15 A C 2.404 179.994 177.584 0.009 0.000 1.177 15 A CA 1.036 53.077 52.037 0.007 0.000 0.636 15 A CB -0.878 18.125 19.000 0.005 0.000 0.815 15 A HN 0.188 nan 8.150 nan 0.000 0.449 16 L N -0.414 120.815 121.223 0.010 0.000 2.046 16 L HA -0.213 4.128 4.340 0.000 0.000 0.208 16 L C 2.890 179.770 176.870 0.017 0.000 1.077 16 L CA 1.840 56.688 54.840 0.013 0.000 0.747 16 L CB -0.379 41.687 42.059 0.012 0.000 0.896 16 L HN 0.606 nan 8.230 nan 0.000 0.432 17 R N -1.393 119.117 120.500 0.018 0.000 2.189 17 R HA -0.061 4.279 4.340 0.000 0.000 0.218 17 R C 1.763 178.077 176.300 0.022 0.000 1.074 17 R CA 1.401 57.515 56.100 0.023 0.000 0.991 17 R CB -0.806 29.508 30.300 0.024 0.000 0.883 17 R HN 0.141 nan 8.270 nan 0.000 0.457 18 T N 1.869 116.433 114.554 0.016 0.000 2.812 18 T HA -0.065 4.285 4.350 0.000 0.000 0.264 18 T C 1.687 176.395 174.700 0.013 0.000 1.042 18 T CA 1.103 63.211 62.100 0.013 0.000 1.140 18 T CB -0.131 68.743 68.868 0.009 0.000 0.870 18 T HN 0.133 nan 8.240 nan 0.000 0.445 19 L N 1.158 122.390 121.223 0.014 0.000 2.005 19 L HA 0.099 4.440 4.340 0.000 0.000 0.207 19 L C 2.129 179.011 176.870 0.020 0.000 1.072 19 L CA 1.554 56.403 54.840 0.014 0.000 0.744 19 L CB -0.685 41.382 42.059 0.014 0.000 0.895 19 L HN 0.231 nan 8.230 nan 0.000 0.433 20 I N -0.627 119.958 120.570 0.027 0.000 2.264 20 I HA -0.300 3.870 4.170 0.000 0.000 0.248 20 I C 2.755 178.901 176.117 0.049 0.000 1.111 20 I CA 1.407 62.731 61.300 0.039 0.000 1.382 20 I CB -0.392 37.633 38.000 0.042 0.000 1.060 20 I HN 0.309 nan 8.210 nan 0.000 0.418 21 R N 1.118 121.642 120.500 0.039 0.000 2.066 21 R HA -0.124 4.216 4.340 0.000 0.000 0.232 21 R C 2.332 178.639 176.300 0.011 0.000 1.131 21 R CA 1.361 57.481 56.100 0.034 0.000 0.955 21 R CB -0.177 30.139 30.300 0.027 0.000 0.851 21 R HN 0.309 nan 8.270 nan 0.000 0.432 22 L N -0.502 120.725 121.223 0.007 0.000 2.201 22 L HA -0.042 4.298 4.340 0.000 0.000 0.212 22 L C 2.212 179.079 176.870 -0.004 0.000 1.105 22 L CA 1.206 56.044 54.840 -0.004 0.000 0.775 22 L CB -0.268 41.789 42.059 -0.003 0.000 0.913 22 L HN 0.400 nan 8.230 nan 0.000 0.440 23 G N -1.247 107.559 108.800 0.010 0.000 2.985 23 G HA2 -0.080 3.880 3.960 0.000 0.000 0.209 23 G HA3 -0.080 3.880 3.960 0.000 0.000 0.209 23 G C 0.692 175.608 174.900 0.026 0.000 1.165 23 G CA 0.302 45.411 45.100 0.016 0.000 0.776 23 G HN 0.319 nan 8.290 nan 0.000 0.541 24 S N -0.058 115.654 115.700 0.021 0.000 2.523 24 S HA 0.322 4.793 4.470 0.000 0.000 0.275 24 S C 0.970 175.559 174.600 -0.017 0.000 1.281 24 S CA -0.641 57.580 58.200 0.036 0.000 1.050 24 S CB 1.634 64.826 63.200 -0.012 0.000 0.937 24 S HN -0.008 nan 8.310 nan 0.000 0.492 25 L N 4.185 125.443 121.223 0.060 0.000 2.298 25 L HA 0.123 4.463 4.340 0.000 0.000 0.209 25 L C 2.588 179.479 176.870 0.034 0.000 1.084 25 L CA 1.262 56.126 54.840 0.040 0.000 0.816 25 L CB -0.621 41.477 42.059 0.065 0.000 0.967 25 L HN 1.013 nan 8.230 nan 0.000 0.460 26 H N -2.482 116.594 119.070 0.011 0.000 2.387 26 H HA -0.123 4.434 4.556 0.000 0.000 0.299 26 H C 1.528 176.894 175.328 0.063 0.000 1.099 26 H CA 1.760 57.806 56.048 -0.003 0.000 1.315 26 H CB -1.214 28.495 29.762 -0.087 0.000 1.380 26 H HN 0.226 nan 8.280 nan 0.000 0.513 27 T N 2.904 117.191 114.554 -0.445 0.000 2.643 27 T HA -0.055 4.295 4.350 0.000 0.000 0.264 27 T C -0.457 174.246 174.700 0.005 0.000 1.045 27 T CA 2.015 64.053 62.100 -0.103 0.000 1.155 27 T CB -0.938 67.840 68.868 -0.150 0.000 0.863 27 T HN 0.436 nan 8.240 nan 0.000 0.420 28 P HA -0.032 nan 4.420 nan 0.000 0.219 28 P C 1.440 178.787 177.300 0.079 0.000 1.146 28 P CA 1.074 64.200 63.100 0.044 0.000 0.808 28 P CB -0.151 31.562 31.700 0.022 0.000 0.779 29 M N -0.938 118.705 119.600 0.070 0.000 2.254 29 M HA -0.049 4.431 4.480 0.000 0.000 0.265 29 M C 2.176 178.535 176.300 0.100 0.000 1.066 29 M CA 0.964 56.316 55.300 0.087 0.000 1.123 29 M CB -1.578 31.071 32.600 0.082 0.000 1.388 29 M HN -0.173 nan 8.290 nan 0.000 0.425 30 V N -0.358 119.627 119.914 0.117 0.000 2.343 30 V HA -0.197 3.923 4.120 0.000 0.000 0.247 30 V C 2.575 178.727 176.094 0.097 0.000 1.051 30 V CA 1.266 63.646 62.300 0.132 0.000 1.036 30 V CB -0.713 31.258 31.823 0.246 0.000 0.654 30 V HN 0.187 nan 8.190 nan 0.000 0.451 31 V N -0.138 119.829 119.914 0.089 0.000 2.343 31 V HA -0.278 3.842 4.120 0.000 0.000 0.247 31 V C 2.562 178.726 176.094 0.117 0.000 1.051 31 V CA 2.200 64.545 62.300 0.075 0.000 1.036 31 V CB -0.742 31.130 31.823 0.081 0.000 0.654 31 V HN 0.456 nan 8.190 nan 0.000 0.451 32 R N 0.010 120.603 120.500 0.155 0.000 2.115 32 R HA -0.112 4.229 4.340 0.000 0.000 0.226 32 R C 2.493 178.865 176.300 0.120 0.000 1.100 32 R CA 1.687 57.890 56.100 0.172 0.000 0.980 32 R CB -0.521 29.870 30.300 0.152 0.000 0.875 32 R HN 0.709 nan 8.270 nan 0.000 0.445 33 T N -1.561 113.050 114.554 0.095 0.000 2.942 33 T HA 0.085 4.436 4.350 0.000 0.000 0.265 33 T C 2.012 176.753 174.700 0.068 0.000 1.062 33 T CA 0.806 62.951 62.100 0.075 0.000 1.139 33 T CB 0.013 68.918 68.868 0.062 0.000 0.883 33 T HN 0.184 nan 8.240 nan 0.000 0.468 34 A N 1.781 124.640 122.820 0.065 0.000 1.908 34 A HA 0.243 4.563 4.320 0.000 0.000 0.218 34 A C 2.840 180.462 177.584 0.062 0.000 1.181 34 A CA 2.116 54.185 52.037 0.053 0.000 0.627 34 A CB -1.492 17.529 19.000 0.036 0.000 0.818 34 A HN 0.820 nan 8.150 nan 0.000 0.445 35 A N -1.170 121.692 122.820 0.071 0.000 1.898 35 A HA -0.062 4.259 4.320 0.000 0.000 0.216 35 A C 2.305 179.938 177.584 0.082 0.000 1.181 35 A CA 2.254 54.337 52.037 0.077 0.000 0.620 35 A CB -1.209 17.861 19.000 0.118 0.000 0.819 35 A HN 0.444 nan 8.150 nan 0.000 0.442 36 T N 0.490 115.096 114.554 0.086 0.000 2.777 36 T HA -0.027 4.323 4.350 0.000 0.000 0.266 36 T C 1.614 176.361 174.700 0.078 0.000 1.040 36 T CA 1.311 63.456 62.100 0.075 0.000 1.141 36 T CB -0.332 68.578 68.868 0.069 0.000 0.868 36 T HN 0.351 nan 8.240 nan 0.000 0.444 37 L N 0.220 121.493 121.223 0.082 0.000 2.551 37 L HA 0.189 4.529 4.340 0.000 0.000 0.228 37 L C 0.819 177.797 176.870 0.179 0.000 1.153 37 L CA 0.274 55.173 54.840 0.099 0.000 0.851 37 L CB -0.400 41.698 42.059 0.066 0.000 0.959 37 L HN 0.215 nan 8.230 nan 0.000 0.451 38 R N -1.086 119.496 120.500 0.137 0.000 3.422 38 R HA -0.224 4.117 4.340 0.000 0.000 0.267 38 R C 1.182 177.588 176.300 0.177 0.000 1.074 38 R CA 0.097 56.260 56.100 0.105 0.000 0.718 38 R CB -1.653 28.678 30.300 0.052 0.000 1.157 38 R HN 0.183 nan 8.270 nan 0.000 0.440 39 L N -0.100 121.218 121.223 0.159 0.000 2.046 39 L HA -0.097 4.243 4.340 0.000 0.000 0.208 39 L C 1.914 178.859 176.870 0.125 0.000 1.077 39 L CA 1.946 56.885 54.840 0.165 0.000 0.747 39 L CB -0.182 41.929 42.059 0.085 0.000 0.896 39 L HN 0.231 nan 8.230 nan 0.000 0.432 40 V N -0.212 119.741 119.914 0.065 0.000 2.667 40 V HA -0.211 3.909 4.120 0.000 0.000 0.252 40 V C 2.063 178.166 176.094 0.015 0.000 1.065 40 V CA 1.665 63.989 62.300 0.040 0.000 1.083 40 V CB -0.735 31.100 31.823 0.020 0.000 0.692 40 V HN 0.457 nan 8.190 nan 0.000 0.468 41 D N -0.765 119.612 120.400 -0.039 0.000 2.183 41 D HA -0.119 4.522 4.640 0.000 0.000 0.203 41 D C 1.955 178.164 176.300 -0.152 0.000 0.969 41 D CA 1.191 55.120 54.000 -0.118 0.000 0.842 41 D CB -0.128 40.549 40.800 -0.205 0.000 0.957 41 D HN 0.577 nan 8.370 nan 0.000 0.484 42 H N 0.249 119.334 119.070 0.025 0.000 2.462 42 H HA 0.094 4.651 4.556 0.000 0.000 0.292 42 H C 2.208 177.554 175.328 0.030 0.000 1.049 42 H CA 0.504 56.567 56.048 0.025 0.000 1.334 42 H CB 0.272 30.049 29.762 0.024 0.000 1.404 42 H HN 0.093 nan 8.280 nan 0.000 0.544 43 I N 0.155 120.801 120.570 0.127 0.000 2.193 43 I HA -0.211 3.959 4.170 0.000 0.000 0.240 43 I C 1.625 177.779 176.117 0.063 0.000 1.084 43 I CA 1.025 62.383 61.300 0.095 0.000 1.365 43 I CB -0.137 37.917 38.000 0.090 0.000 1.064 43 I HN 0.214 nan 8.210 nan 0.000 0.410 44 L N 0.686 121.933 121.223 0.041 0.000 2.456 44 L HA -0.098 4.242 4.340 0.000 0.000 0.224 44 L C 2.079 178.961 176.870 0.020 0.000 1.148 44 L CA 0.555 55.410 54.840 0.026 0.000 0.825 44 L CB -0.465 41.603 42.059 0.015 0.000 0.937 44 L HN 0.219 nan 8.230 nan 0.000 0.450 45 A N -0.572 122.263 122.820 0.024 0.000 2.415 45 A HA 0.484 4.804 4.320 0.000 0.000 0.248 45 A C 1.422 179.032 177.584 0.043 0.000 1.299 45 A CA 0.506 52.558 52.037 0.025 0.000 0.899 45 A CB -0.106 18.900 19.000 0.010 0.000 0.997 45 A HN 0.432 nan 8.150 nan 0.000 0.506 46 G N -2.001 106.827 108.800 0.047 0.000 2.143 46 G HA2 0.192 4.152 3.960 0.000 0.000 0.175 46 G HA3 0.192 4.152 3.960 0.000 0.000 0.175 46 G C 0.200 175.132 174.900 0.053 0.000 1.004 46 G CA -0.055 45.071 45.100 0.044 0.000 0.671 46 G HN 1.523 nan 8.290 nan 0.000 0.512 47 A N 0.299 123.162 122.820 0.071 0.000 2.252 47 A HA 0.801 5.121 4.320 0.000 0.000 0.309 47 A C 1.156 178.784 177.584 0.073 0.000 1.285 47 A CA -0.260 51.821 52.037 0.072 0.000 0.900 47 A CB 0.461 19.515 19.000 0.090 0.000 1.157 47 A HN 0.262 nan 8.150 nan 0.000 0.536 48 R N 0.979 121.517 120.500 0.062 0.000 2.316 48 R HA 0.085 4.425 4.340 0.000 0.000 0.201 48 R C 0.286 176.631 176.300 0.077 0.000 0.888 48 R CA 1.137 57.273 56.100 0.060 0.000 1.041 48 R CB 0.457 30.779 30.300 0.037 0.000 1.115 48 R HN 0.824 nan 8.270 nan 0.000 0.559 49 T N -2.503 112.097 114.554 0.076 0.000 2.950 49 T HA 0.274 4.624 4.350 0.000 0.000 0.288 49 T C 1.453 176.213 174.700 0.099 0.000 1.035 49 T CA -0.761 61.391 62.100 0.088 0.000 1.028 49 T CB 2.251 71.153 68.868 0.057 0.000 1.109 49 T HN -0.263 nan 8.240 nan 0.000 0.514 50 V N 1.232 121.214 119.914 0.113 0.000 2.407 50 V HA -0.138 3.982 4.120 0.000 0.000 0.248 50 V C 2.772 178.886 176.094 0.033 0.000 1.055 50 V CA 2.291 64.632 62.300 0.069 0.000 1.049 50 V CB -0.978 30.880 31.823 0.058 0.000 0.662 50 V HN 1.038 nan 8.190 nan 0.000 0.455 51 K N 1.339 121.759 120.400 0.034 0.000 2.032 51 K HA -0.181 4.139 4.320 0.000 0.000 0.209 51 K C 2.059 178.664 176.600 0.008 0.000 1.048 51 K CA 2.039 58.336 56.287 0.017 0.000 0.927 51 K CB -0.608 31.903 32.500 0.019 0.000 0.712 51 K HN 0.367 nan 8.250 nan 0.000 0.441 52 A N 0.728 123.559 122.820 0.018 0.000 1.930 52 A HA -0.042 4.278 4.320 0.000 0.000 0.217 52 A C 2.227 179.806 177.584 -0.008 0.000 1.175 52 A CA 1.390 53.434 52.037 0.011 0.000 0.627 52 A CB -0.620 18.396 19.000 0.027 0.000 0.815 52 A HN 0.353 nan 8.150 nan 0.000 0.443 53 L N -0.824 120.400 121.223 0.001 0.000 2.046 53 L HA -0.191 4.149 4.340 0.000 0.000 0.208 53 L C 3.078 179.904 176.870 -0.074 0.000 1.077 53 L CA 1.049 55.873 54.840 -0.027 0.000 0.747 53 L CB -0.467 41.599 42.059 0.012 0.000 0.896 53 L HN 0.451 nan 8.230 nan 0.000 0.432 54 A N -0.235 122.558 122.820 -0.044 0.000 1.969 54 A HA -0.128 4.192 4.320 0.000 0.000 0.218 54 A C 2.471 180.019 177.584 -0.060 0.000 1.169 54 A CA 1.602 53.611 52.037 -0.048 0.000 0.635 54 A CB -0.522 18.463 19.000 -0.026 0.000 0.810 54 A HN 0.418 nan 8.150 nan 0.000 0.445 55 A N -0.085 122.702 122.820 -0.055 0.000 1.872 55 A HA -0.089 4.232 4.320 0.000 0.000 0.214 55 A C 2.245 179.773 177.584 -0.094 0.000 1.187 55 A CA 1.273 53.277 52.037 -0.054 0.000 0.614 55 A CB -0.386 18.596 19.000 -0.031 0.000 0.826 55 A HN 0.525 nan 8.150 nan 0.000 0.442 56 R N -0.452 119.954 120.500 -0.156 0.000 2.115 56 R HA -0.066 4.274 4.340 0.000 0.000 0.226 56 R C 2.232 178.271 176.300 -0.435 0.000 1.100 56 R CA 1.706 57.630 56.100 -0.293 0.000 0.980 56 R CB -0.563 29.482 30.300 -0.424 0.000 0.875 56 R HN 0.721 nan 8.270 nan 0.000 0.445 57 T N -2.378 111.961 114.554 -0.359 0.000 3.067 57 T HA -0.037 4.313 4.350 0.000 0.000 0.261 57 T C 0.302 174.937 174.700 -0.108 0.000 1.110 57 T CA 0.434 62.394 62.100 -0.234 0.000 1.113 57 T CB -0.000 68.782 68.868 -0.143 0.000 0.917 57 T HN 0.129 nan 8.240 nan 0.000 0.499 58 D N 1.692 122.036 120.400 -0.093 0.000 2.778 58 D HA -0.119 4.522 4.640 0.000 0.000 0.246 58 D C -0.145 176.133 176.300 -0.035 0.000 1.107 58 D CA 1.069 55.039 54.000 -0.050 0.000 0.732 58 D CB -1.351 39.429 40.800 -0.034 0.000 1.055 58 D HN 0.837 nan 8.370 nan 0.000 0.429 59 T N -2.242 112.289 114.554 -0.037 0.000 2.907 59 T HA 0.644 4.994 4.350 0.000 0.000 0.290 59 T C 0.252 174.939 174.700 -0.022 0.000 1.066 59 T CA -1.111 60.974 62.100 -0.025 0.000 1.012 59 T CB 1.661 70.513 68.868 -0.026 0.000 1.184 59 T HN 0.181 nan 8.240 nan 0.000 0.522 60 R N 1.723 122.213 120.500 -0.016 0.000 2.296 60 R HA 0.263 4.603 4.340 0.000 0.000 0.323 60 R C -1.666 174.625 176.300 -0.015 0.000 1.067 60 R CA -1.906 54.186 56.100 -0.013 0.000 0.946 60 R CB 0.463 30.756 30.300 -0.010 0.000 0.991 60 R HN 0.476 nan 8.270 nan 0.000 0.448 61 P HA -0.293 nan 4.420 nan 0.000 0.220 61 P C 0.627 177.919 177.300 -0.014 0.000 1.155 61 P CA 1.523 64.616 63.100 -0.011 0.000 0.880 61 P CB 0.232 31.931 31.700 -0.003 0.000 0.790 62 E N -0.616 119.578 120.200 -0.010 0.000 2.107 62 E HA -0.078 4.272 4.350 0.000 0.000 0.191 62 E C 2.008 178.598 176.600 -0.017 0.000 0.982 62 E CA 1.440 57.834 56.400 -0.010 0.000 0.809 62 E CB -1.153 28.544 29.700 -0.005 0.000 0.756 62 E HN 0.203 nan 8.360 nan 0.000 0.459 63 A N 1.689 124.498 122.820 -0.017 0.000 1.929 63 A HA -0.031 4.289 4.320 0.000 0.000 0.216 63 A C 2.252 179.820 177.584 -0.026 0.000 1.176 63 A CA 0.885 52.911 52.037 -0.018 0.000 0.628 63 A CB -0.576 18.416 19.000 -0.013 0.000 0.816 63 A HN 0.210 nan 8.150 nan 0.000 0.444 64 L N -0.526 120.678 121.223 -0.031 0.000 2.079 64 L HA -0.140 4.200 4.340 0.000 0.000 0.210 64 L C 2.220 179.042 176.870 -0.080 0.000 1.081 64 L CA 1.916 56.728 54.840 -0.046 0.000 0.752 64 L CB -0.556 41.477 42.059 -0.043 0.000 0.896 64 L HN 0.387 nan 8.230 nan 0.000 0.433 65 L N -0.714 120.461 121.223 -0.079 0.000 2.131 65 L HA -0.159 4.182 4.340 0.000 0.000 0.210 65 L C 2.592 179.397 176.870 -0.108 0.000 1.092 65 L CA 1.560 56.327 54.840 -0.122 0.000 0.759 65 L CB -0.596 41.424 42.059 -0.064 0.000 0.903 65 L HN 0.223 nan 8.230 nan 0.000 0.435 66 R N -0.901 119.565 120.500 -0.057 0.000 2.075 66 R HA -0.118 4.222 4.340 0.000 0.000 0.232 66 R C 2.213 178.504 176.300 -0.015 0.000 1.126 66 R CA 1.554 57.635 56.100 -0.031 0.000 0.963 66 R CB -0.727 29.560 30.300 -0.021 0.000 0.858 66 R HN 0.347 nan 8.270 nan 0.000 0.435 67 L N 1.140 122.351 121.223 -0.020 0.000 2.046 67 L HA -0.115 4.225 4.340 0.000 0.000 0.208 67 L C 2.114 178.974 176.870 -0.017 0.000 1.077 67 L CA 1.538 56.383 54.840 0.008 0.000 0.747 67 L CB -0.166 41.894 42.059 0.000 0.000 0.896 67 L HN 0.086 nan 8.230 nan 0.000 0.432 68 I N -1.191 119.311 120.570 -0.113 0.000 2.394 68 I HA -0.257 3.913 4.170 0.000 0.000 0.251 68 I C 2.653 178.656 176.117 -0.190 0.000 1.136 68 I CA 0.803 61.965 61.300 -0.229 0.000 1.425 68 I CB -0.299 37.407 38.000 -0.491 0.000 1.079 68 I HN 0.241 nan 8.210 nan 0.000 0.425 69 R N -0.160 120.270 120.500 -0.117 0.000 2.094 69 R HA -0.246 4.094 4.340 0.000 0.000 0.239 69 R C 2.454 178.795 176.300 0.068 0.000 1.137 69 R CA 1.844 57.934 56.100 -0.017 0.000 0.943 69 R CB -0.511 29.799 30.300 0.015 0.000 0.850 69 R HN 0.492 nan 8.270 nan 0.000 0.433 70 H N 0.192 119.255 119.070 -0.011 0.000 2.428 70 H HA -0.021 4.535 4.556 0.000 0.000 0.296 70 H C 2.092 177.430 175.328 0.016 0.000 1.062 70 H CA 0.946 57.009 56.048 0.025 0.000 1.350 70 H CB 0.181 29.979 29.762 0.061 0.000 1.403 70 H HN 0.162 nan 8.280 nan 0.000 0.533 71 L N 0.149 121.345 121.223 -0.044 0.000 2.191 71 L HA -0.157 4.183 4.340 0.000 0.000 0.212 71 L C 2.588 179.417 176.870 -0.068 0.000 1.103 71 L CA 0.483 55.270 54.840 -0.090 0.000 0.769 71 L CB -0.186 41.845 42.059 -0.045 0.000 0.908 71 L HN 0.137 nan 8.230 nan 0.000 0.438 72 V N -0.078 119.823 119.914 -0.023 0.000 2.283 72 V HA -0.228 3.892 4.120 0.000 0.000 0.243 72 V C 2.742 178.833 176.094 -0.005 0.000 1.039 72 V CA 1.727 64.045 62.300 0.030 0.000 1.016 72 V CB -0.735 31.152 31.823 0.108 0.000 0.650 72 V HN 0.461 nan 8.190 nan 0.000 0.449 73 A N 0.712 123.522 122.820 -0.017 0.000 1.986 73 A HA -0.208 4.112 4.320 0.000 0.000 0.220 73 A C 2.078 179.614 177.584 -0.080 0.000 1.171 73 A CA 2.215 54.241 52.037 -0.018 0.000 0.640 73 A CB -0.703 18.326 19.000 0.048 0.000 0.811 73 A HN 0.754 nan 8.150 nan 0.000 0.451 74 I N -5.016 115.442 120.570 -0.187 0.000 3.578 74 I HA 0.420 4.590 4.170 0.000 0.000 0.295 74 I C 1.282 177.340 176.117 -0.099 0.000 1.280 74 I CA 0.856 62.049 61.300 -0.178 0.000 1.347 74 I CB -0.048 37.773 38.000 -0.298 0.000 1.051 74 I HN 0.391 nan 8.210 nan 0.000 0.460 75 G N 1.558 110.317 108.800 -0.069 0.000 2.163 75 G HA2 -0.219 3.741 3.960 0.000 0.000 0.213 75 G HA3 -0.219 3.741 3.960 0.000 0.000 0.213 75 G C 0.394 175.275 174.900 -0.032 0.000 0.991 75 G CA 0.246 45.324 45.100 -0.037 0.000 0.653 75 G HN 0.288 nan 8.290 nan 0.000 0.518 76 L N -0.274 120.923 121.223 -0.044 0.000 2.307 76 L HA 0.533 4.873 4.340 0.000 0.000 0.211 76 L C 1.418 178.287 176.870 -0.002 0.000 1.099 76 L CA 1.233 56.053 54.840 -0.033 0.000 0.816 76 L CB -0.055 41.974 42.059 -0.049 0.000 0.952 76 L HN 0.399 nan 8.230 nan 0.000 0.455 77 L N -1.145 120.089 121.223 0.019 0.000 2.327 77 L HA 0.503 4.843 4.340 0.000 0.000 0.258 77 L C -0.543 176.391 176.870 0.107 0.000 1.024 77 L CA -0.670 54.215 54.840 0.074 0.000 0.825 77 L CB 2.418 44.534 42.059 0.096 0.000 1.386 77 L HN 0.054 nan 8.230 nan 0.000 0.417 78 E N -0.166 120.123 120.200 0.148 0.000 2.430 78 E HA 0.353 4.703 4.350 0.000 0.000 0.279 78 E C -1.550 175.100 176.600 0.084 0.000 1.003 78 E CA -0.919 55.558 56.400 0.128 0.000 0.801 78 E CB 2.170 31.901 29.700 0.052 0.000 1.313 78 E HN 0.482 nan 8.360 nan 0.000 0.459 79 E N 0.505 120.681 120.200 -0.040 0.000 2.152 79 E HA 0.056 4.407 4.350 0.000 0.000 0.285 79 E C -0.611 175.885 176.600 -0.172 0.000 1.043 79 E CA -0.088 56.135 56.400 -0.296 0.000 0.839 79 E CB 1.012 30.514 29.700 -0.331 0.000 1.069 79 E HN 0.482 nan 8.360 nan 0.000 0.399 80 D N 2.701 122.996 120.400 -0.174 0.000 2.305 80 D HA 0.175 4.815 4.640 0.000 0.000 0.206 80 D C -0.713 175.520 176.300 -0.111 0.000 0.974 80 D CA 0.445 54.383 54.000 -0.103 0.000 0.871 80 D CB 0.528 41.286 40.800 -0.069 0.000 0.947 80 D HN 0.433 nan 8.370 nan 0.000 0.516 81 A N -1.129 121.591 122.820 -0.168 0.000 2.590 81 A HA 0.436 4.756 4.320 0.000 0.000 0.294 81 A C -2.261 175.207 177.584 -0.193 0.000 1.046 81 A CA -0.934 51.021 52.037 -0.138 0.000 0.684 81 A CB 0.500 19.444 19.000 -0.094 0.000 1.279 81 A HN -0.191 nan 8.150 nan 0.000 0.415 82 P HA -0.147 nan 4.420 nan 0.000 0.216 82 P C 1.682 178.888 177.300 -0.156 0.000 1.154 82 P CA 2.494 65.515 63.100 -0.131 0.000 0.865 82 P CB 0.216 31.878 31.700 -0.062 0.000 0.789 83 G N -0.008 108.725 108.800 -0.112 0.000 2.434 83 G HA2 -0.154 3.807 3.960 0.000 0.000 0.214 83 G HA3 -0.154 3.807 3.960 0.000 0.000 0.214 83 G C 0.442 175.262 174.900 -0.134 0.000 1.202 83 G CA 0.228 45.292 45.100 -0.060 0.000 0.788 83 G HN 0.416 nan 8.290 nan 0.000 0.539 84 E N -0.357 119.724 120.200 -0.197 0.000 2.266 84 E HA 0.498 4.849 4.350 0.000 0.000 0.277 84 E C -1.513 174.889 176.600 -0.331 0.000 1.018 84 E CA -0.832 55.489 56.400 -0.132 0.000 0.840 84 E CB 1.230 30.904 29.700 -0.043 0.000 1.082 84 E HN 0.126 nan 8.360 nan 0.000 0.395 85 F N 1.726 121.685 119.950 0.015 0.000 2.480 85 F HA 0.510 5.037 4.527 0.000 0.000 0.329 85 F C -0.259 175.550 175.800 0.015 0.000 1.091 85 F CA -0.844 57.164 58.000 0.014 0.000 0.972 85 F CB 2.146 41.156 39.000 0.016 0.000 1.150 85 F HN 0.239 nan 8.300 nan 0.000 0.467 86 V N 3.488 123.502 119.914 0.166 0.000 2.888 86 V HA 0.446 4.566 4.120 0.000 0.000 0.309 86 V C -2.320 173.822 176.094 0.080 0.000 1.114 86 V CA -2.076 60.279 62.300 0.093 0.000 0.940 86 V CB 2.815 34.662 31.823 0.041 0.000 1.021 86 V HN 0.491 nan 8.190 nan 0.000 0.426 87 P HA 0.150 nan 4.420 nan 0.000 0.268 87 P C -0.037 177.279 177.300 0.027 0.000 1.205 87 P CA 0.228 63.352 63.100 0.039 0.000 0.771 87 P CB 0.489 32.206 31.700 0.029 0.000 0.858 88 T N -0.976 113.589 114.554 0.017 0.000 2.771 88 T HA 0.147 4.498 4.350 0.000 0.000 0.290 88 T C 1.265 175.967 174.700 0.003 0.000 1.005 88 T CA -0.306 61.800 62.100 0.009 0.000 0.944 88 T CB 0.390 69.259 68.868 0.002 0.000 1.147 88 T HN 0.341 nan 8.240 nan 0.000 0.534 89 E N -0.488 119.712 120.200 0.001 0.000 2.118 89 E HA -0.108 4.242 4.350 0.000 0.000 0.195 89 E C 2.101 178.693 176.600 -0.014 0.000 0.992 89 E CA 1.043 57.445 56.400 0.002 0.000 0.804 89 E CB -0.268 29.434 29.700 0.004 0.000 0.741 89 E HN 0.467 nan 8.360 nan 0.000 0.458 90 V N 0.078 119.976 119.914 -0.027 0.000 2.407 90 V HA -0.113 4.007 4.120 0.000 0.000 0.245 90 V C 2.283 178.335 176.094 -0.069 0.000 1.041 90 V CA 1.761 64.029 62.300 -0.053 0.000 1.040 90 V CB -0.699 31.095 31.823 -0.050 0.000 0.671 90 V HN 0.401 nan 8.190 nan 0.000 0.455 91 G N -0.794 107.979 108.800 -0.045 0.000 2.470 91 G HA2 -0.247 3.713 3.960 0.000 0.000 0.220 91 G HA3 -0.247 3.713 3.960 0.000 0.000 0.220 91 G C 1.435 176.311 174.900 -0.041 0.000 1.121 91 G CA 0.730 45.805 45.100 -0.042 0.000 0.766 91 G HN 0.551 nan 8.290 nan 0.000 0.553 92 E N -0.272 119.910 120.200 -0.030 0.000 2.268 92 E HA 0.048 4.398 4.350 0.000 0.000 0.195 92 E C 2.215 178.796 176.600 -0.031 0.000 0.995 92 E CA 0.130 56.530 56.400 0.000 0.000 0.836 92 E CB -0.086 29.637 29.700 0.039 0.000 0.763 92 E HN 0.426 nan 8.360 nan 0.000 0.491 93 L N 0.389 121.508 121.223 -0.172 0.000 2.551 93 L HA -0.050 4.290 4.340 0.000 0.000 0.228 93 L C 1.599 178.328 176.870 -0.234 0.000 1.153 93 L CA 0.445 55.021 54.840 -0.440 0.000 0.851 93 L CB -0.194 41.546 42.059 -0.532 0.000 0.959 93 L HN 0.211 nan 8.230 nan 0.000 0.451 94 L N 0.059 121.212 121.223 -0.117 0.000 2.592 94 L HA 0.233 4.573 4.340 0.000 0.000 0.227 94 L C 1.335 178.198 176.870 -0.011 0.000 1.127 94 L CA -0.467 54.334 54.840 -0.064 0.000 0.884 94 L CB -0.072 41.952 42.059 -0.058 0.000 1.065 94 L HN 0.125 nan 8.230 nan 0.000 0.457 95 A N 0.113 122.940 122.820 0.011 0.000 2.462 95 A HA -0.049 4.271 4.320 0.000 0.000 0.243 95 A C 0.942 178.561 177.584 0.058 0.000 1.076 95 A CA -0.047 52.012 52.037 0.036 0.000 0.773 95 A CB 0.313 19.350 19.000 0.061 0.000 1.010 95 A HN 0.257 nan 8.150 nan 0.000 0.493 96 D N 0.659 121.078 120.400 0.031 0.000 2.269 96 D HA -0.135 4.505 4.640 0.000 0.000 0.208 96 D C 0.922 177.252 176.300 0.050 0.000 0.963 96 D CA 1.620 55.639 54.000 0.033 0.000 0.864 96 D CB 0.144 40.944 40.800 0.000 0.000 0.936 96 D HN 0.640 nan 8.370 nan 0.000 0.505 97 D N -1.371 119.058 120.400 0.050 0.000 2.340 97 D HA -0.096 4.544 4.640 0.000 0.000 0.217 97 D C 0.450 176.782 176.300 0.052 0.000 1.081 97 D CA -0.274 53.749 54.000 0.038 0.000 0.842 97 D CB -0.927 39.880 40.800 0.012 0.000 0.934 97 D HN 0.278 nan 8.370 nan 0.000 0.511 98 H N 2.183 121.260 119.070 0.011 0.000 2.886 98 H HA 0.047 4.603 4.556 0.000 0.000 0.329 98 H C -1.280 174.063 175.328 0.025 0.000 1.044 98 H CA -0.806 55.250 56.048 0.014 0.000 1.456 98 H CB 1.603 31.373 29.762 0.012 0.000 1.464 98 H HN -0.070 nan 8.280 nan 0.000 0.573 99 P HA -0.080 nan 4.420 nan 0.000 0.222 99 P C 0.937 178.333 177.300 0.159 0.000 1.147 99 P CA 1.136 64.248 63.100 0.020 0.000 0.790 99 P CB 0.089 31.738 31.700 -0.085 0.000 0.780 100 A N 0.431 123.468 122.820 0.362 0.000 2.168 100 A HA 0.362 4.682 4.320 0.000 0.000 0.215 100 A C 1.562 179.292 177.584 0.243 0.000 1.152 100 A CA 1.054 53.234 52.037 0.238 0.000 0.716 100 A CB -1.075 18.029 19.000 0.174 0.000 0.794 100 A HN 0.214 nan 8.150 nan 0.000 0.465 101 A N -1.641 121.342 122.820 0.272 0.000 2.887 101 A HA -0.236 4.084 4.320 0.000 0.000 0.257 101 A C 1.179 179.001 177.584 0.398 0.000 1.372 101 A CA 1.273 53.485 52.037 0.291 0.000 0.879 101 A CB -2.105 17.085 19.000 0.316 0.000 1.082 101 A HN 0.450 nan 8.150 nan 0.000 0.703 102 Q N -0.617 119.333 119.800 0.250 0.000 2.364 102 Q HA -0.096 4.244 4.340 0.000 0.000 0.207 102 Q C 2.045 178.145 176.000 0.166 0.000 0.970 102 Q CA 1.424 57.355 55.803 0.214 0.000 0.888 102 Q CB -0.222 28.474 28.738 -0.069 0.000 0.951 102 Q HN 0.872 nan 8.270 nan 0.000 0.469 103 R N 0.135 120.700 120.500 0.109 0.000 2.066 103 R HA -0.058 4.282 4.340 0.000 0.000 0.232 103 R C 1.920 178.305 176.300 0.143 0.000 1.131 103 R CA 1.269 57.423 56.100 0.090 0.000 0.955 103 R CB -0.013 30.318 30.300 0.052 0.000 0.851 103 R HN 0.198 nan 8.270 nan 0.000 0.432 104 A N -0.237 122.654 122.820 0.118 0.000 1.929 104 A HA -0.144 4.176 4.320 0.000 0.000 0.216 104 A C 1.772 179.374 177.584 0.029 0.000 1.176 104 A CA 0.905 52.955 52.037 0.021 0.000 0.628 104 A CB -0.867 18.079 19.000 -0.090 0.000 0.816 104 A HN 0.531 nan 8.150 nan 0.000 0.444 105 W N -0.594 120.795 121.300 0.148 0.000 2.465 105 W HA -0.060 4.600 4.660 0.000 0.000 0.268 105 W C 1.811 178.418 176.519 0.148 0.000 1.242 105 W CA 1.276 58.721 57.345 0.166 0.000 1.248 105 W CB -0.143 29.439 29.460 0.204 0.000 1.118 105 W HN 0.489 nan 8.180 nan 0.000 0.587 106 H N -1.403 117.816 119.070 0.248 0.000 2.520 106 H HA 0.047 4.603 4.556 0.000 0.000 0.284 106 H C -0.138 175.260 175.328 0.118 0.000 1.037 106 H CA -0.027 56.124 56.048 0.172 0.000 1.168 106 H CB 0.160 30.001 29.762 0.132 0.000 1.497 106 H HN -0.135 nan 8.280 nan 0.000 0.547 107 D N 1.364 121.873 120.400 0.180 0.000 2.339 107 D HA 0.026 4.666 4.640 0.000 0.000 0.241 107 D C 1.107 177.455 176.300 0.079 0.000 1.183 107 D CA -0.244 53.821 54.000 0.107 0.000 0.859 107 D CB 1.057 41.895 40.800 0.063 0.000 1.067 107 D HN 0.225 nan 8.370 nan 0.000 0.484 108 L N 2.845 124.115 121.223 0.078 0.000 2.456 108 L HA -0.087 4.253 4.340 0.000 0.000 0.224 108 L C 2.222 179.110 176.870 0.030 0.000 1.148 108 L CA 0.683 55.561 54.840 0.063 0.000 0.825 108 L CB -0.103 41.998 42.059 0.070 0.000 0.937 108 L HN 0.379 nan 8.230 nan 0.000 0.450 109 T N -1.302 113.265 114.554 0.022 0.000 3.081 109 T HA 0.054 4.405 4.350 0.000 0.000 0.255 109 T C 0.839 175.525 174.700 -0.023 0.000 1.113 109 T CA 0.435 62.533 62.100 -0.002 0.000 1.082 109 T CB 0.124 68.997 68.868 0.009 0.000 0.939 109 T HN 0.318 nan 8.240 nan 0.000 0.506 110 Q N -0.824 118.966 119.800 -0.016 0.000 2.240 110 Q HA 0.683 5.023 4.340 0.000 0.000 0.260 110 Q C 1.290 177.274 176.000 -0.027 0.000 1.018 110 Q CA -0.475 55.309 55.803 -0.033 0.000 0.898 110 Q CB 1.422 30.134 28.738 -0.044 0.000 1.301 110 Q HN 0.147 nan 8.270 nan 0.000 0.469 111 A N 0.551 123.361 122.820 -0.017 0.000 1.902 111 A HA -0.124 4.196 4.320 0.000 0.000 0.217 111 A C 1.809 179.432 177.584 0.065 0.000 1.181 111 A CA 1.629 53.664 52.037 -0.004 0.000 0.623 111 A CB -0.505 18.535 19.000 0.067 0.000 0.818 111 A HN 0.483 nan 8.150 nan 0.000 0.443 112 V N -0.585 119.413 119.914 0.139 0.000 2.346 112 V HA -0.093 4.027 4.120 0.000 0.000 0.244 112 V C 3.002 179.236 176.094 0.232 0.000 1.037 112 V CA 1.650 64.109 62.300 0.266 0.000 1.029 112 V CB -1.059 31.008 31.823 0.408 0.000 0.663 112 V HN 0.579 nan 8.190 nan 0.000 0.454 113 A N 0.264 123.188 122.820 0.173 0.000 1.898 113 A HA -0.221 4.099 4.320 0.000 0.000 0.216 113 A C 2.369 180.028 177.584 0.125 0.000 1.181 113 A CA 1.904 54.031 52.037 0.151 0.000 0.620 113 A CB -0.563 18.505 19.000 0.113 0.000 0.819 113 A HN 0.469 nan 8.150 nan 0.000 0.442 114 R N -0.168 120.371 120.500 0.065 0.000 2.103 114 R HA -0.164 4.176 4.340 0.000 0.000 0.242 114 R C 2.181 178.515 176.300 0.056 0.000 1.142 114 R CA 1.661 57.776 56.100 0.025 0.000 0.960 114 R CB -0.438 29.788 30.300 -0.123 0.000 0.858 114 R HN 0.426 nan 8.270 nan 0.000 0.439 115 A N 0.712 123.522 122.820 -0.016 0.000 2.019 115 A HA -0.156 4.164 4.320 0.000 0.000 0.219 115 A C 1.522 179.077 177.584 -0.048 0.000 1.164 115 A CA 1.726 53.661 52.037 -0.170 0.000 0.644 115 A CB -0.365 18.098 19.000 -0.895 0.000 0.805 115 A HN 0.393 nan 8.150 nan 0.000 0.449 116 D N -0.249 120.291 120.400 0.234 0.000 2.264 116 D HA -0.085 4.556 4.640 0.000 0.000 0.208 116 D C 1.502 178.024 176.300 0.370 0.000 0.966 116 D CA 0.632 54.925 54.000 0.487 0.000 0.864 116 D CB -0.245 40.826 40.800 0.451 0.000 0.933 116 D HN 0.366 nan 8.370 nan 0.000 0.499 117 I N 1.112 121.822 120.570 0.233 0.000 2.399 117 I HA -0.252 3.918 4.170 0.000 0.000 0.254 117 I C 2.238 178.408 176.117 0.088 0.000 1.146 117 I CA 0.888 62.273 61.300 0.143 0.000 1.412 117 I CB -0.508 37.541 38.000 0.082 0.000 1.076 117 I HN -0.133 nan 8.210 nan 0.000 0.432 118 S N 0.028 115.777 115.700 0.082 0.000 2.402 118 S HA -0.208 4.262 4.470 0.000 0.000 0.233 118 S C 1.924 176.512 174.600 -0.021 0.000 1.030 118 S CA 1.319 59.522 58.200 0.006 0.000 1.003 118 S CB -0.664 62.576 63.200 0.065 0.000 0.813 118 S HN 0.426 nan 8.310 nan 0.000 0.477 119 F N 2.107 122.144 119.950 0.145 0.000 2.250 119 F HA -0.164 4.364 4.527 0.000 0.000 0.301 119 F C 2.849 178.679 175.800 0.049 0.000 1.077 119 F CA 1.211 59.265 58.000 0.090 0.000 1.348 119 F CB -1.024 38.028 39.000 0.087 0.000 1.040 119 F HN 0.297 nan 8.300 nan 0.000 0.509 120 T N -1.617 113.050 114.554 0.188 0.000 2.918 120 T HA -0.198 4.152 4.350 0.000 0.000 0.271 120 T C 1.335 176.072 174.700 0.061 0.000 1.104 120 T CA 0.961 63.120 62.100 0.098 0.000 1.114 120 T CB -0.345 68.549 68.868 0.043 0.000 0.855 120 T HN 0.313 nan 8.240 nan 0.000 0.518 121 R N 0.233 120.764 120.500 0.053 0.000 2.700 121 R HA 0.368 4.708 4.340 0.000 0.000 0.399 121 R C 1.326 177.652 176.300 0.044 0.000 1.115 121 R CA -0.364 55.754 56.100 0.029 0.000 1.058 121 R CB 0.207 30.504 30.300 -0.005 0.000 1.389 121 R HN 0.225 nan 8.270 nan 0.000 0.582 122 L N 1.912 123.189 121.223 0.089 0.000 2.131 122 L HA -0.034 4.307 4.340 0.000 0.000 0.210 122 L C -0.967 175.943 176.870 0.068 0.000 1.092 122 L CA 2.050 56.954 54.840 0.106 0.000 0.759 122 L CB -0.858 41.323 42.059 0.204 0.000 0.903 122 L HN 0.037 nan 8.230 nan 0.000 0.435 123 P HA -0.121 nan 4.420 nan 0.000 0.216 123 P C 1.064 178.381 177.300 0.029 0.000 1.150 123 P CA 1.283 64.406 63.100 0.039 0.000 0.837 123 P CB 0.028 31.748 31.700 0.032 0.000 0.786 124 D N -0.484 119.930 120.400 0.023 0.000 2.149 124 D HA -0.137 4.504 4.640 0.000 0.000 0.198 124 D C 1.992 178.302 176.300 0.017 0.000 0.990 124 D CA 1.645 55.655 54.000 0.016 0.000 0.839 124 D CB -0.796 40.010 40.800 0.010 0.000 0.948 124 D HN 0.096 nan 8.370 nan 0.000 0.460 125 A N 0.801 123.633 122.820 0.018 0.000 1.930 125 A HA -0.107 4.214 4.320 0.000 0.000 0.217 125 A C 2.139 179.734 177.584 0.019 0.000 1.175 125 A CA 0.700 52.745 52.037 0.013 0.000 0.627 125 A CB -0.335 18.666 19.000 0.002 0.000 0.815 125 A HN 0.115 nan 8.150 nan 0.000 0.443 126 I N -0.176 120.410 120.570 0.028 0.000 2.439 126 I HA -0.137 4.034 4.170 0.000 0.000 0.251 126 I C 2.400 178.531 176.117 0.024 0.000 1.139 126 I CA 1.054 62.371 61.300 0.029 0.000 1.438 126 I CB -1.165 36.857 38.000 0.037 0.000 1.085 126 I HN 0.365 nan 8.210 nan 0.000 0.427 127 R N 0.501 121.014 120.500 0.022 0.000 2.115 127 R HA -0.080 4.261 4.340 0.000 0.000 0.226 127 R C 1.977 178.287 176.300 0.017 0.000 1.100 127 R CA 1.930 58.041 56.100 0.018 0.000 0.980 127 R CB -0.396 29.914 30.300 0.016 0.000 0.875 127 R HN 0.517 nan 8.270 nan 0.000 0.445 128 T N -4.686 109.879 114.554 0.017 0.000 2.959 128 T HA 0.218 4.568 4.350 0.000 0.000 0.254 128 T C 1.362 176.074 174.700 0.021 0.000 1.003 128 T CA 0.539 62.650 62.100 0.018 0.000 0.950 128 T CB 0.999 69.877 68.868 0.018 0.000 1.090 128 T HN 0.330 nan 8.240 nan 0.000 0.503 129 G N 1.995 110.806 108.800 0.019 0.000 2.168 129 G HA2 -0.227 3.733 3.960 0.000 0.000 0.263 129 G HA3 -0.227 3.733 3.960 0.000 0.000 0.263 129 G C 0.091 175.002 174.900 0.018 0.000 0.977 129 G CA 0.079 45.190 45.100 0.018 0.000 0.659 129 G HN 0.660 nan 8.290 nan 0.000 0.533 130 R N 0.316 120.828 120.500 0.019 0.000 2.711 130 R HA 0.501 4.841 4.340 0.000 0.000 0.284 130 R C -2.372 173.937 176.300 0.015 0.000 0.968 130 R CA -1.866 54.249 56.100 0.025 0.000 0.924 130 R CB 1.782 32.102 30.300 0.035 0.000 1.162 130 R HN 0.148 nan 8.270 nan 0.000 0.465 131 P HA 0.083 nan 4.420 nan 0.000 0.272 131 P C 0.010 177.335 177.300 0.042 0.000 1.230 131 P CA -0.014 63.097 63.100 0.018 0.000 0.788 131 P CB 0.841 32.555 31.700 0.023 0.000 0.949 132 T N -0.031 114.553 114.554 0.050 0.000 2.990 132 T HA 0.004 4.354 4.350 0.000 0.000 0.250 132 T C 1.358 176.097 174.700 0.065 0.000 1.041 132 T CA 0.255 62.375 62.100 0.034 0.000 1.010 132 T CB -0.661 68.203 68.868 -0.006 0.000 1.003 132 T HN 0.375 nan 8.240 nan 0.000 0.499 133 Y N 2.169 122.471 120.300 0.003 0.000 2.207 133 Y HA -0.118 4.432 4.550 0.000 0.000 0.287 133 Y C 2.360 178.295 175.900 0.058 0.000 1.156 133 Y CA 1.824 59.955 58.100 0.050 0.000 1.182 133 Y CB 0.169 38.675 38.460 0.076 0.000 0.979 133 Y HN 0.237 nan 8.280 nan 0.000 0.521 134 E N -0.417 119.921 120.200 0.229 0.000 2.107 134 E HA -0.187 4.163 4.350 0.000 0.000 0.191 134 E C 2.207 178.817 176.600 0.016 0.000 0.982 134 E CA 1.259 57.747 56.400 0.148 0.000 0.809 134 E CB -0.205 29.576 29.700 0.136 0.000 0.756 134 E HN 0.554 nan 8.360 nan 0.000 0.459 135 S N 0.209 115.899 115.700 -0.017 0.000 2.442 135 S HA -0.093 4.377 4.470 0.000 0.000 0.236 135 S C 1.905 176.417 174.600 -0.147 0.000 1.007 135 S CA 0.653 58.817 58.200 -0.061 0.000 0.965 135 S CB -0.195 62.977 63.200 -0.047 0.000 0.773 135 S HN 0.273 nan 8.310 nan 0.000 0.504 136 I N -0.716 119.697 120.570 -0.262 0.000 2.429 136 I HA 0.091 4.261 4.170 0.000 0.000 0.247 136 I C 1.495 177.267 176.117 -0.575 0.000 1.099 136 I CA 1.119 62.109 61.300 -0.517 0.000 1.422 136 I CB -0.640 36.866 38.000 -0.822 0.000 1.112 136 I HN 0.319 nan 8.210 nan 0.000 0.430 137 Y N 0.128 120.258 120.300 -0.283 0.000 2.481 137 Y HA 0.347 4.897 4.550 0.000 0.000 0.247 137 Y C 1.764 177.581 175.900 -0.138 0.000 1.151 137 Y CA 0.391 58.322 58.100 -0.281 0.000 1.238 137 Y CB 0.956 39.084 38.460 -0.553 0.000 1.179 137 Y HN 0.312 nan 8.280 nan 0.000 0.524 138 G N 0.570 109.387 108.800 0.028 0.000 2.336 138 G HA2 -0.252 3.708 3.960 0.000 0.000 0.233 138 G HA3 -0.252 3.708 3.960 0.000 0.000 0.233 138 G C 0.274 175.214 174.900 0.066 0.000 1.053 138 G CA 0.018 45.139 45.100 0.036 0.000 0.625 138 G HN 0.280 nan 8.290 nan 0.000 0.511 139 K N 0.821 121.288 120.400 0.112 0.000 2.350 139 K HA 0.603 4.923 4.320 0.000 0.000 0.241 139 K C -2.777 173.945 176.600 0.203 0.000 0.994 139 K CA -2.207 54.153 56.287 0.122 0.000 0.839 139 K CB 2.436 34.986 32.500 0.084 0.000 1.244 139 K HN -0.009 nan 8.250 nan 0.000 0.443 140 P HA 0.004 nan 4.420 nan 0.000 0.272 140 P C 0.194 177.506 177.300 0.020 0.000 1.240 140 P CA -0.296 62.888 63.100 0.140 0.000 0.791 140 P CB 0.340 32.108 31.700 0.115 0.000 0.978 141 F N 1.091 120.801 119.950 -0.399 0.000 2.032 141 F HA -0.291 4.236 4.527 0.000 0.000 0.297 141 F C 1.952 177.384 175.800 -0.613 0.000 1.125 141 F CA 1.905 59.355 58.000 -0.916 0.000 1.202 141 F CB -1.014 37.321 39.000 -1.109 0.000 0.958 141 F HN 0.304 nan 8.300 nan 0.000 0.491 142 Y N -0.220 119.962 120.300 -0.195 0.000 2.457 142 Y HA -0.066 4.484 4.550 0.000 0.000 0.292 142 Y C 2.357 178.168 175.900 -0.147 0.000 1.125 142 Y CA 0.852 58.827 58.100 -0.208 0.000 1.254 142 Y CB -0.354 38.119 38.460 0.022 0.000 1.012 142 Y HN 0.194 nan 8.280 nan 0.000 0.555 143 E N 0.093 120.324 120.200 0.053 0.000 2.107 143 E HA -0.208 4.142 4.350 0.000 0.000 0.191 143 E C 1.368 177.949 176.600 -0.033 0.000 0.982 143 E CA 1.240 57.657 56.400 0.029 0.000 0.809 143 E CB -0.047 29.686 29.700 0.055 0.000 0.756 143 E HN 0.418 nan 8.360 nan 0.000 0.459 144 D N 0.743 121.093 120.400 -0.084 0.000 2.084 144 D HA -0.134 4.507 4.640 0.000 0.000 0.194 144 D C 1.961 178.153 176.300 -0.179 0.000 0.990 144 D CA 0.927 54.868 54.000 -0.098 0.000 0.826 144 D CB -0.019 40.769 40.800 -0.019 0.000 0.971 144 D HN 0.035 nan 8.370 nan 0.000 0.453 145 L N 0.098 121.130 121.223 -0.318 0.000 2.127 145 L HA -0.164 4.177 4.340 0.000 0.000 0.211 145 L C 2.533 179.330 176.870 -0.122 0.000 1.089 145 L CA 1.217 55.893 54.840 -0.273 0.000 0.757 145 L CB -0.799 41.035 42.059 -0.373 0.000 0.899 145 L HN 0.097 nan 8.230 nan 0.000 0.434 146 A N 0.385 123.159 122.820 -0.077 0.000 1.930 146 A HA -0.071 4.250 4.320 0.000 0.000 0.217 146 A C 2.189 179.754 177.584 -0.033 0.000 1.175 146 A CA 1.602 53.619 52.037 -0.032 0.000 0.627 146 A CB -0.858 18.137 19.000 -0.007 0.000 0.815 146 A HN 0.443 nan 8.150 nan 0.000 0.443 147 G N -1.989 106.787 108.800 -0.041 0.000 3.181 147 G HA2 0.321 4.281 3.960 0.000 0.000 0.219 147 G HA3 0.321 4.281 3.960 0.000 0.000 0.219 147 G C 0.500 175.374 174.900 -0.043 0.000 1.182 147 G CA -0.062 45.019 45.100 -0.033 0.000 0.791 147 G HN 0.283 nan 8.290 nan 0.000 0.537 148 R N 0.005 120.469 120.500 -0.059 0.000 2.818 148 R HA 0.355 4.695 4.340 0.000 0.000 0.258 148 R C -1.972 174.292 176.300 -0.060 0.000 1.797 148 R CA -1.497 54.563 56.100 -0.067 0.000 1.532 148 R CB 1.181 31.422 30.300 -0.099 0.000 1.413 148 R HN -0.105 nan 8.270 nan 0.000 0.622 149 P HA -0.237 nan 4.420 nan 0.000 0.217 149 P C 0.543 177.828 177.300 -0.025 0.000 1.151 149 P CA 1.547 64.632 63.100 -0.026 0.000 0.849 149 P CB 0.278 31.968 31.700 -0.017 0.000 0.787 150 D N -0.482 119.899 120.400 -0.033 0.000 2.117 150 D HA -0.139 4.501 4.640 0.000 0.000 0.198 150 D C 1.990 178.267 176.300 -0.038 0.000 0.982 150 D CA 1.151 55.132 54.000 -0.031 0.000 0.828 150 D CB -1.197 39.584 40.800 -0.032 0.000 0.967 150 D HN 0.207 nan 8.370 nan 0.000 0.464 151 L N -0.253 120.932 121.223 -0.064 0.000 2.056 151 L HA -0.063 4.277 4.340 0.000 0.000 0.207 151 L C 2.871 179.712 176.870 -0.049 0.000 1.078 151 L CA 0.766 55.555 54.840 -0.086 0.000 0.749 151 L CB -0.445 41.515 42.059 -0.165 0.000 0.901 151 L HN 0.023 nan 8.230 nan 0.000 0.433 152 R N 1.091 121.563 120.500 -0.047 0.000 2.094 152 R HA -0.198 4.143 4.340 0.000 0.000 0.239 152 R C 2.222 178.571 176.300 0.081 0.000 1.137 152 R CA 2.100 58.211 56.100 0.017 0.000 0.943 152 R CB -0.736 29.566 30.300 0.004 0.000 0.850 152 R HN 0.311 nan 8.270 nan 0.000 0.433 153 A N -0.495 122.346 122.820 0.035 0.000 1.969 153 A HA -0.121 4.199 4.320 0.000 0.000 0.218 153 A C 2.176 179.766 177.584 0.011 0.000 1.169 153 A CA 1.818 53.870 52.037 0.026 0.000 0.635 153 A CB -0.725 18.279 19.000 0.006 0.000 0.810 153 A HN 0.621 nan 8.150 nan 0.000 0.445 154 S N -1.631 114.073 115.700 0.007 0.000 2.446 154 S HA -0.042 4.429 4.470 0.000 0.000 0.225 154 S C 1.756 176.336 174.600 -0.033 0.000 1.016 154 S CA 0.936 59.116 58.200 -0.034 0.000 0.943 154 S CB -0.594 62.578 63.200 -0.046 0.000 0.786 154 S HN 0.474 nan 8.310 nan 0.000 0.508 155 F N 3.399 123.293 119.950 -0.092 0.000 2.084 155 F HA -0.007 4.521 4.527 0.000 0.000 0.296 155 F C 1.773 177.555 175.800 -0.029 0.000 1.111 155 F CA 1.812 59.779 58.000 -0.054 0.000 1.224 155 F CB -0.567 38.445 39.000 0.020 0.000 0.991 155 F HN 0.091 nan 8.300 nan 0.000 0.471 156 D N -0.286 120.123 120.400 0.016 0.000 2.133 156 D HA -0.172 4.469 4.640 0.000 0.000 0.195 156 D C 2.420 178.627 176.300 -0.154 0.000 0.997 156 D CA 1.730 55.687 54.000 -0.070 0.000 0.840 156 D CB -0.529 40.298 40.800 0.045 0.000 0.947 156 D HN 0.268 nan 8.370 nan 0.000 0.452 157 S N -0.203 115.416 115.700 -0.135 0.000 2.436 157 S HA 0.057 4.527 4.470 0.000 0.000 0.228 157 S C 2.120 176.597 174.600 -0.206 0.000 1.014 157 S CA 0.061 58.180 58.200 -0.134 0.000 0.950 157 S CB 0.135 63.278 63.200 -0.095 0.000 0.784 157 S HN 0.192 nan 8.310 nan 0.000 0.504 158 L N 0.977 121.994 121.223 -0.343 0.000 2.072 158 L HA -0.012 4.329 4.340 0.000 0.000 0.205 158 L C 2.127 178.805 176.870 -0.321 0.000 1.079 158 L CA 0.963 55.478 54.840 -0.542 0.000 0.752 158 L CB -0.409 41.028 42.059 -1.037 0.000 0.906 158 L HN 0.293 nan 8.230 nan 0.000 0.436 159 L N -0.460 120.553 121.223 -0.351 0.000 2.093 159 L HA -0.129 4.211 4.340 0.000 0.000 0.208 159 L C 2.465 179.277 176.870 -0.096 0.000 1.085 159 L CA 1.228 55.949 54.840 -0.197 0.000 0.755 159 L CB -0.739 41.126 42.059 -0.323 0.000 0.904 159 L HN 0.244 nan 8.230 nan 0.000 0.435 160 A N -1.543 121.214 122.820 -0.105 0.000 2.238 160 A HA -0.050 4.270 4.320 0.000 0.000 0.208 160 A C 2.179 179.726 177.584 -0.062 0.000 1.177 160 A CA 0.182 52.181 52.037 -0.064 0.000 0.804 160 A CB -0.733 18.207 19.000 -0.101 0.000 0.823 160 A HN 0.473 nan 8.150 nan 0.000 0.482 161 C N 0.165 119.438 119.300 -0.045 0.000 2.180 161 C HA -0.273 4.188 4.460 0.000 0.000 0.233 161 C C 1.306 176.290 174.990 -0.010 0.000 1.039 161 C CA 2.067 61.086 59.018 0.001 0.000 1.835 161 C CB -0.657 27.129 27.740 0.076 0.000 1.693 161 C HN 0.754 nan 8.230 nan 0.000 0.375 162 D N -0.181 120.194 120.400 -0.041 0.000 2.615 162 D HA 0.113 4.754 4.640 0.000 0.000 0.236 162 D C 1.427 177.688 176.300 -0.066 0.000 1.233 162 D CA 0.178 54.149 54.000 -0.048 0.000 0.829 162 D CB -0.649 40.108 40.800 -0.072 0.000 1.024 162 D HN 0.840 nan 8.370 nan 0.000 0.490 163 Q N 0.516 120.291 119.800 -0.041 0.000 2.368 163 Q HA -0.166 4.174 4.340 0.000 0.000 0.210 163 Q C 0.572 176.657 176.000 0.141 0.000 0.982 163 Q CA 1.157 56.987 55.803 0.045 0.000 0.884 163 Q CB -0.112 28.669 28.738 0.072 0.000 0.933 163 Q HN 0.126 nan 8.270 nan 0.000 0.460 164 D N 0.438 120.906 120.400 0.113 0.000 2.218 164 D HA -0.097 4.543 4.640 0.000 0.000 0.204 164 D C 1.490 177.850 176.300 0.101 0.000 0.976 164 D CA 1.406 55.498 54.000 0.152 0.000 0.853 164 D CB 0.416 41.291 40.800 0.125 0.000 0.939 164 D HN 0.277 nan 8.370 nan 0.000 0.481 165 V N 0.258 120.195 119.914 0.038 0.000 3.350 165 V HA 0.141 4.261 4.120 0.000 0.000 0.246 165 V C 2.043 178.096 176.094 -0.068 0.000 1.363 165 V CA 0.635 62.935 62.300 -0.001 0.000 1.162 165 V CB 0.638 32.451 31.823 -0.016 0.000 0.947 165 V HN 0.080 nan 8.190 nan 0.000 0.454 166 A N -0.620 122.089 122.820 -0.186 0.000 2.119 166 A HA 0.039 4.359 4.320 0.000 0.000 0.217 166 A C 1.691 178.984 177.584 -0.485 0.000 1.153 166 A CA 1.288 53.106 52.037 -0.365 0.000 0.692 166 A CB -0.506 18.172 19.000 -0.537 0.000 0.799 166 A HN 0.535 nan 8.150 nan 0.000 0.458 167 F N -0.841 118.995 119.950 -0.189 0.000 2.695 167 F HA 0.087 4.614 4.527 0.000 0.000 0.303 167 F C 1.400 177.065 175.800 -0.225 0.000 1.091 167 F CA -0.232 57.543 58.000 -0.376 0.000 1.300 167 F CB 0.400 39.174 39.000 -0.376 0.000 1.071 167 F HN 0.101 nan 8.300 nan 0.000 0.578 168 D N 0.813 121.234 120.400 0.036 0.000 2.144 168 D HA -0.139 4.501 4.640 0.000 0.000 0.200 168 D C 2.334 178.678 176.300 0.073 0.000 0.978 168 D CA 1.277 55.318 54.000 0.069 0.000 0.833 168 D CB -0.175 40.655 40.800 0.048 0.000 0.961 168 D HN 0.256 nan 8.370 nan 0.000 0.470 169 A N 1.300 124.137 122.820 0.029 0.000 1.855 169 A HA -0.065 4.255 4.320 0.000 0.000 0.215 169 A C -0.252 177.387 177.584 0.092 0.000 1.191 169 A CA 1.110 53.179 52.037 0.054 0.000 0.613 169 A CB -1.453 17.567 19.000 0.034 0.000 0.829 169 A HN 0.174 nan 8.150 nan 0.000 0.442 170 P HA -0.090 nan 4.420 nan 0.000 0.218 170 P C 1.579 179.107 177.300 0.379 0.000 1.148 170 P CA 1.812 64.963 63.100 0.085 0.000 0.822 170 P CB -0.109 31.324 31.700 -0.445 0.000 0.784 171 A N 0.044 123.107 122.820 0.404 0.000 1.969 171 A HA -0.009 4.311 4.320 0.000 0.000 0.218 171 A C 2.233 180.186 177.584 0.615 0.000 1.169 171 A CA 1.785 54.207 52.037 0.641 0.000 0.635 171 A CB -1.402 17.843 19.000 0.408 0.000 0.810 171 A HN 0.212 nan 8.150 nan 0.000 0.445 172 A N -0.744 122.288 122.820 0.354 0.000 2.169 172 A HA 0.470 4.791 4.320 0.000 0.000 0.212 172 A C 1.924 179.618 177.584 0.184 0.000 1.153 172 A CA 1.021 53.214 52.037 0.260 0.000 0.756 172 A CB -0.491 18.608 19.000 0.165 0.000 0.813 172 A HN 0.936 nan 8.150 nan 0.000 0.471 173 A N -1.786 121.155 122.820 0.202 0.000 2.291 173 A HA 0.430 4.750 4.320 0.000 0.000 0.220 173 A C 0.026 177.687 177.584 0.128 0.000 1.262 173 A CA 0.208 52.330 52.037 0.142 0.000 0.867 173 A CB -0.429 18.664 19.000 0.155 0.000 0.888 173 A HN 0.453 nan 8.150 nan 0.000 0.487 174 Y N -0.907 119.272 120.300 -0.202 0.000 2.479 174 Y HA 0.423 4.973 4.550 0.000 0.000 0.338 174 Y C -1.340 174.082 175.900 -0.798 0.000 1.055 174 Y CA -2.019 55.743 58.100 -0.564 0.000 1.023 174 Y CB 1.432 39.343 38.460 -0.915 0.000 1.287 174 Y HN 0.157 nan 8.280 nan 0.000 0.447 175 D N 3.470 123.278 120.400 -0.987 0.000 2.325 175 D HA 0.084 4.724 4.640 0.000 0.000 0.251 175 D C -0.422 175.419 176.300 -0.765 0.000 1.196 175 D CA 0.037 53.630 54.000 -0.679 0.000 0.866 175 D CB 0.507 41.028 40.800 -0.465 0.000 1.101 175 D HN 0.608 nan 8.370 nan 0.000 0.476 176 W N 2.645 123.919 121.300 -0.042 0.000 3.388 176 W HA 0.102 4.763 4.660 0.000 0.000 0.324 176 W C 1.956 178.583 176.519 0.180 0.000 1.250 176 W CA -0.388 56.996 57.345 0.064 0.000 1.809 176 W CB 0.100 29.607 29.460 0.079 0.000 1.083 176 W HN 0.316 nan 8.180 nan 0.000 0.685 177 T N 1.008 115.680 114.554 0.197 0.000 2.622 177 T HA -0.207 4.143 4.350 0.000 0.000 0.266 177 T C 1.292 176.067 174.700 0.125 0.000 1.047 177 T CA 1.401 63.567 62.100 0.110 0.000 1.159 177 T CB -0.279 68.580 68.868 -0.016 0.000 0.863 177 T HN 0.044 nan 8.240 nan 0.000 0.422 178 N N 1.568 120.319 118.700 0.084 0.000 2.389 178 N HA 0.180 4.920 4.740 0.000 0.000 0.237 178 N C -1.000 174.603 175.510 0.156 0.000 1.148 178 N CA 0.058 53.160 53.050 0.086 0.000 0.854 178 N CB 0.353 38.855 38.487 0.026 0.000 1.115 178 N HN 0.198 nan 8.380 nan 0.000 0.492 179 V N 0.891 120.966 119.914 0.269 0.000 2.350 179 V HA 0.292 4.413 4.120 0.000 0.000 0.285 179 V C 1.002 177.237 176.094 0.235 0.000 1.014 179 V CA -0.575 61.892 62.300 0.277 0.000 0.831 179 V CB 1.943 34.021 31.823 0.425 0.000 1.000 179 V HN 0.019 nan 8.190 nan 0.000 0.433 180 R N 1.538 122.146 120.500 0.180 0.000 2.052 180 R HA 0.168 4.508 4.340 0.000 0.000 0.224 180 R C 0.401 176.771 176.300 0.117 0.000 1.149 180 R CA 0.746 56.937 56.100 0.152 0.000 0.962 180 R CB 0.061 30.447 30.300 0.142 0.000 0.856 180 R HN 0.739 nan 8.270 nan 0.000 0.433 181 H N -0.592 118.495 119.070 0.029 0.000 2.538 181 H HA 0.472 5.028 4.556 0.000 0.000 0.353 181 H C -1.486 173.841 175.328 -0.002 0.000 1.109 181 H CA -0.692 55.350 56.048 -0.008 0.000 1.192 181 H CB 1.415 31.172 29.762 -0.008 0.000 1.555 181 H HN -0.193 nan 8.280 nan 0.000 0.518 182 V N 5.983 125.689 119.914 -0.347 0.000 2.495 182 V HA 0.236 4.356 4.120 0.000 0.000 0.298 182 V C -0.432 175.528 176.094 -0.224 0.000 1.031 182 V CA -0.843 61.329 62.300 -0.213 0.000 0.871 182 V CB 1.717 33.361 31.823 -0.299 0.000 0.988 182 V HN 0.616 nan 8.190 nan 0.000 0.432 183 L N 3.855 125.034 121.223 -0.074 0.000 2.298 183 L HA 0.570 4.910 4.340 0.000 0.000 0.284 183 L C -0.894 175.916 176.870 -0.100 0.000 1.013 183 L CA -0.355 54.462 54.840 -0.038 0.000 0.824 183 L CB 1.558 43.637 42.059 0.034 0.000 1.221 183 L HN 0.662 nan 8.230 nan 0.000 0.418 184 D N 4.422 124.751 120.400 -0.118 0.000 2.412 184 D HA 0.189 4.830 4.640 0.000 0.000 0.224 184 D C -0.585 175.694 176.300 -0.036 0.000 1.093 184 D CA -0.230 53.693 54.000 -0.129 0.000 0.850 184 D CB 1.507 42.192 40.800 -0.190 0.000 1.046 184 D HN 0.144 nan 8.370 nan 0.000 0.507 185 V N 3.759 123.663 119.914 -0.017 0.000 2.427 185 V HA 0.418 4.538 4.120 0.000 0.000 0.268 185 V C 1.436 177.608 176.094 0.131 0.000 1.046 185 V CA 0.129 62.457 62.300 0.048 0.000 0.970 185 V CB 0.691 32.494 31.823 -0.033 0.000 1.001 185 V HN 0.860 nan 8.190 nan 0.000 0.476 186 G N 4.317 113.254 108.800 0.229 0.000 2.298 186 G HA2 -0.177 3.783 3.960 0.000 0.000 0.287 186 G HA3 -0.177 3.783 3.960 0.000 0.000 0.287 186 G C 0.696 175.711 174.900 0.191 0.000 1.075 186 G CA 0.026 45.287 45.100 0.269 0.000 0.960 186 G HN 1.351 nan 8.290 nan 0.000 0.502 187 G N -0.503 108.362 108.800 0.108 0.000 3.327 187 G HA2 0.567 4.527 3.960 0.000 0.000 0.240 187 G HA3 0.567 4.527 3.960 0.000 0.000 0.240 187 G C 1.524 176.451 174.900 0.046 0.000 1.222 187 G CA 1.296 46.433 45.100 0.061 0.000 0.871 187 G HN 2.020 nan 8.290 nan 0.000 0.525 188 G N 1.112 109.970 108.800 0.098 0.000 2.550 188 G HA2 -0.327 3.633 3.960 0.000 0.000 0.277 188 G HA3 -0.327 3.633 3.960 0.000 0.000 0.277 188 G C 0.843 175.755 174.900 0.019 0.000 1.190 188 G CA 0.341 45.489 45.100 0.079 0.000 0.971 188 G HN 0.436 nan 8.290 nan 0.000 0.559 189 K N 1.909 122.285 120.400 -0.040 0.000 2.504 189 K HA 0.389 4.709 4.320 0.000 0.000 0.199 189 K C 1.527 178.060 176.600 -0.111 0.000 1.028 189 K CA 0.798 57.032 56.287 -0.089 0.000 1.164 189 K CB 0.045 32.427 32.500 -0.197 0.000 0.877 189 K HN 1.982 nan 8.250 nan 0.000 0.508 190 G N 0.842 109.591 108.800 -0.085 0.000 2.132 190 G HA2 -0.256 3.705 3.960 0.000 0.000 0.234 190 G HA3 -0.256 3.705 3.960 0.000 0.000 0.234 190 G C 0.808 175.668 174.900 -0.066 0.000 0.989 190 G CA 0.013 45.087 45.100 -0.043 0.000 0.676 190 G HN 0.465 nan 8.290 nan 0.000 0.522 191 G N -0.159 108.511 108.800 -0.216 0.000 2.408 191 G HA2 0.040 4.001 3.960 0.000 0.000 0.217 191 G HA3 0.040 4.001 3.960 0.000 0.000 0.217 191 G C 1.434 176.142 174.900 -0.320 0.000 1.150 191 G CA 1.363 46.374 45.100 -0.149 0.000 0.776 191 G HN 0.624 nan 8.290 nan 0.000 0.542 192 F N 1.527 120.817 119.950 -1.101 0.000 2.163 192 F HA 0.112 4.639 4.527 0.000 0.000 0.297 192 F C 2.932 178.487 175.800 -0.408 0.000 1.094 192 F CA 0.663 58.105 58.000 -0.929 0.000 1.290 192 F CB 0.243 38.639 39.000 -1.008 0.000 1.017 192 F HN 0.261 nan 8.300 nan 0.000 0.483 193 A N 0.313 123.035 122.820 -0.165 0.000 1.978 193 A HA -0.167 4.153 4.320 0.000 0.000 0.220 193 A C 2.219 179.726 177.584 -0.128 0.000 1.170 193 A CA 1.630 53.547 52.037 -0.201 0.000 0.636 193 A CB -1.164 17.731 19.000 -0.175 0.000 0.810 193 A HN 0.468 nan 8.150 nan 0.000 0.448 194 A N -0.219 122.586 122.820 -0.025 0.000 1.872 194 A HA 0.243 4.563 4.320 0.000 0.000 0.214 194 A C 2.500 180.090 177.584 0.011 0.000 1.187 194 A CA 1.816 53.870 52.037 0.027 0.000 0.614 194 A CB -0.989 18.122 19.000 0.185 0.000 0.826 194 A HN 1.024 nan 8.150 nan 0.000 0.442 195 A N -0.093 122.764 122.820 0.061 0.000 1.933 195 A HA -0.068 4.252 4.320 0.000 0.000 0.218 195 A C 2.095 179.676 177.584 -0.005 0.000 1.175 195 A CA 1.506 53.592 52.037 0.081 0.000 0.628 195 A CB -0.597 18.507 19.000 0.173 0.000 0.814 195 A HN 0.495 nan 8.150 nan 0.000 0.444 196 I N -0.362 120.142 120.570 -0.110 0.000 2.252 196 I HA -0.251 3.920 4.170 0.000 0.000 0.245 196 I C 2.919 178.793 176.117 -0.404 0.000 1.102 196 I CA 1.035 62.080 61.300 -0.425 0.000 1.385 196 I CB -0.260 37.275 38.000 -0.774 0.000 1.064 196 I HN 0.345 nan 8.210 nan 0.000 0.414 197 A N 1.456 124.108 122.820 -0.281 0.000 1.969 197 A HA -0.180 4.140 4.320 0.000 0.000 0.218 197 A C 2.336 179.833 177.584 -0.145 0.000 1.169 197 A CA 1.509 53.409 52.037 -0.228 0.000 0.635 197 A CB -0.518 18.378 19.000 -0.173 0.000 0.810 197 A HN 0.523 nan 8.150 nan 0.000 0.445 198 R N -1.284 119.161 120.500 -0.092 0.000 2.280 198 R HA 0.172 4.513 4.340 0.000 0.000 0.195 198 R C 1.808 178.094 176.300 -0.023 0.000 0.935 198 R CA 0.833 56.905 56.100 -0.046 0.000 1.033 198 R CB -0.216 30.070 30.300 -0.022 0.000 0.964 198 R HN 0.331 nan 8.270 nan 0.000 0.489 199 R N 1.197 121.675 120.500 -0.037 0.000 2.127 199 R HA 0.167 4.507 4.340 0.000 0.000 0.217 199 R C 0.043 176.358 176.300 0.026 0.000 1.074 199 R CA 1.211 57.320 56.100 0.015 0.000 0.991 199 R CB 0.454 30.777 30.300 0.039 0.000 0.895 199 R HN 0.259 nan 8.270 nan 0.000 0.450 200 A N 0.524 123.302 122.820 -0.070 0.000 2.763 200 A HA 0.386 4.706 4.320 0.000 0.000 0.325 200 A C -2.219 175.301 177.584 -0.108 0.000 1.209 200 A CA -1.346 50.660 52.037 -0.052 0.000 0.764 200 A CB 1.157 20.018 19.000 -0.231 0.000 1.120 200 A HN 0.090 nan 8.150 nan 0.000 0.463 201 P HA -0.204 nan 4.420 nan 0.000 0.220 201 P C 1.007 178.321 177.300 0.023 0.000 1.148 201 P CA 1.456 64.568 63.100 0.019 0.000 0.803 201 P CB -0.165 31.572 31.700 0.062 0.000 0.782 202 H N -1.243 117.823 119.070 -0.007 0.000 2.529 202 H HA 0.103 4.660 4.556 0.000 0.000 0.277 202 H C 0.389 175.713 175.328 -0.006 0.000 0.999 202 H CA 0.101 56.150 56.048 0.003 0.000 1.256 202 H CB -1.089 28.686 29.762 0.023 0.000 1.402 202 H HN -0.087 nan 8.280 nan 0.000 0.566 203 V N 1.949 121.582 119.914 -0.468 0.000 2.649 203 V HA 0.155 4.276 4.120 0.000 0.000 0.292 203 V C 0.466 176.419 176.094 -0.235 0.000 1.055 203 V CA -0.297 61.770 62.300 -0.387 0.000 1.023 203 V CB 1.557 33.070 31.823 -0.517 0.000 0.992 203 V HN 0.295 nan 8.190 nan 0.000 0.480 204 S N 2.356 117.947 115.700 -0.182 0.000 2.549 204 S HA 0.870 5.340 4.470 0.000 0.000 0.297 204 S C -0.129 174.139 174.600 -0.552 0.000 1.115 204 S CA -0.267 57.817 58.200 -0.194 0.000 1.059 204 S CB 1.720 64.946 63.200 0.044 0.000 1.046 204 S HN 1.072 nan 8.310 nan 0.000 0.506 205 A N 1.719 124.246 122.820 -0.489 0.000 2.515 205 A HA 0.837 5.157 4.320 0.000 0.000 0.296 205 A C -0.813 176.607 177.584 -0.274 0.000 1.094 205 A CA -0.704 50.969 52.037 -0.606 0.000 0.718 205 A CB 1.546 20.304 19.000 -0.405 0.000 1.307 205 A HN 0.603 nan 8.150 nan 0.000 0.408 206 T N 0.990 115.465 114.554 -0.131 0.000 2.812 206 T HA 0.515 4.866 4.350 0.000 0.000 0.282 206 T C -0.707 173.979 174.700 -0.024 0.000 0.990 206 T CA -0.323 61.798 62.100 0.035 0.000 0.960 206 T CB 1.307 70.290 68.868 0.191 0.000 0.948 206 T HN 0.501 nan 8.240 nan 0.000 0.438 207 V N 4.358 124.259 119.914 -0.022 0.000 2.432 207 V HA 0.402 4.523 4.120 0.000 0.000 0.275 207 V C -0.175 175.923 176.094 0.006 0.000 1.043 207 V CA -0.758 61.530 62.300 -0.021 0.000 0.925 207 V CB 1.208 33.020 31.823 -0.019 0.000 0.985 207 V HN 0.661 nan 8.190 nan 0.000 0.466 208 L N 5.840 127.074 121.223 0.017 0.000 2.282 208 L HA 0.737 5.077 4.340 0.000 0.000 0.288 208 L C -0.214 176.676 176.870 0.033 0.000 1.033 208 L CA 0.775 55.631 54.840 0.027 0.000 0.807 208 L CB 0.872 42.958 42.059 0.045 0.000 1.209 208 L HN 0.664 nan 8.230 nan 0.000 0.423 209 E N 3.564 123.765 120.200 0.002 0.000 2.447 209 E HA 0.424 4.774 4.350 0.000 0.000 0.279 209 E C -1.215 175.354 176.600 -0.051 0.000 1.053 209 E CA -0.631 55.763 56.400 -0.010 0.000 0.840 209 E CB 1.912 31.625 29.700 0.021 0.000 1.409 209 E HN 0.613 nan 8.360 nan 0.000 0.461 210 M N 0.560 120.124 119.600 -0.060 0.000 2.267 210 M HA 0.498 4.978 4.480 0.000 0.000 0.303 210 M C 0.558 176.843 176.300 -0.025 0.000 1.164 210 M CA -0.710 54.549 55.300 -0.069 0.000 1.060 210 M CB 0.676 33.223 32.600 -0.088 0.000 1.455 210 M HN 0.586 nan 8.290 nan 0.000 0.483 211 A N 0.654 123.460 122.820 -0.023 0.000 2.561 211 A HA 0.395 4.715 4.320 0.000 0.000 0.234 211 A C 1.184 178.770 177.584 0.004 0.000 1.055 211 A CA 0.860 52.892 52.037 -0.008 0.000 0.756 211 A CB -0.879 18.115 19.000 -0.009 0.000 0.986 211 A HN 1.149 nan 8.150 nan 0.000 0.505 212 G N 1.270 110.075 108.800 0.009 0.000 3.909 212 G HA2 -0.355 3.606 3.960 0.000 0.000 0.218 212 G HA3 -0.355 3.606 3.960 0.000 0.000 0.218 212 G C 1.347 176.264 174.900 0.028 0.000 1.404 212 G CA 1.144 46.255 45.100 0.017 0.000 0.905 212 G HN 1.297 nan 8.290 nan 0.000 0.589 213 T N 2.166 116.744 114.554 0.039 0.000 2.759 213 T HA -0.065 4.286 4.350 0.000 0.000 0.269 213 T C 2.702 177.423 174.700 0.036 0.000 1.042 213 T CA 3.557 65.687 62.100 0.050 0.000 1.140 213 T CB -0.593 68.317 68.868 0.071 0.000 0.864 213 T HN 1.463 nan 8.240 nan 0.000 0.455 214 V N 1.204 121.133 119.914 0.025 0.000 2.407 214 V HA -0.170 3.950 4.120 0.000 0.000 0.248 214 V C 1.966 178.076 176.094 0.027 0.000 1.055 214 V CA 1.874 64.187 62.300 0.022 0.000 1.049 214 V CB -0.752 31.078 31.823 0.012 0.000 0.662 214 V HN 0.268 nan 8.190 nan 0.000 0.455 215 D N 0.256 120.671 120.400 0.025 0.000 2.178 215 D HA -0.104 4.536 4.640 0.000 0.000 0.202 215 D C 2.256 178.578 176.300 0.038 0.000 0.974 215 D CA 1.987 56.002 54.000 0.026 0.000 0.841 215 D CB -0.346 40.466 40.800 0.020 0.000 0.953 215 D HN 0.516 nan 8.370 nan 0.000 0.478 216 T N 0.197 114.775 114.554 0.041 0.000 2.896 216 T HA 0.040 4.390 4.350 0.000 0.000 0.263 216 T C 1.937 176.684 174.700 0.078 0.000 1.050 216 T CA 1.017 63.148 62.100 0.052 0.000 1.140 216 T CB 0.018 68.909 68.868 0.038 0.000 0.877 216 T HN 0.152 nan 8.240 nan 0.000 0.457 217 A N 1.514 124.373 122.820 0.065 0.000 1.930 217 A HA -0.069 4.251 4.320 0.000 0.000 0.217 217 A C 2.327 179.980 177.584 0.115 0.000 1.175 217 A CA 1.354 53.443 52.037 0.086 0.000 0.627 217 A CB -0.409 18.621 19.000 0.049 0.000 0.815 217 A HN 0.398 nan 8.150 nan 0.000 0.443 218 R N 0.134 120.678 120.500 0.072 0.000 2.073 218 R HA -0.122 4.218 4.340 0.000 0.000 0.234 218 R C 2.665 178.997 176.300 0.054 0.000 1.134 218 R CA 1.846 57.977 56.100 0.052 0.000 0.952 218 R CB -0.344 29.974 30.300 0.031 0.000 0.850 218 R HN 0.715 nan 8.270 nan 0.000 0.433 219 S N -0.415 115.323 115.700 0.064 0.000 2.428 219 S HA -0.158 4.313 4.470 0.000 0.000 0.230 219 S C 1.908 176.546 174.600 0.063 0.000 1.014 219 S CA 0.636 58.865 58.200 0.049 0.000 0.957 219 S CB -0.458 62.768 63.200 0.044 0.000 0.784 219 S HN 0.454 nan 8.310 nan 0.000 0.499 220 Y N 2.260 122.561 120.300 0.001 0.000 2.181 220 Y HA 0.067 4.618 4.550 0.000 0.000 0.288 220 Y C 1.942 177.840 175.900 -0.003 0.000 1.146 220 Y CA 1.406 59.507 58.100 0.003 0.000 1.164 220 Y CB -0.407 38.059 38.460 0.009 0.000 0.982 220 Y HN 0.207 nan 8.280 nan 0.000 0.515 221 L N 0.532 121.766 121.223 0.018 0.000 2.093 221 L HA -0.193 4.148 4.340 0.000 0.000 0.208 221 L C 2.657 179.451 176.870 -0.125 0.000 1.085 221 L CA 1.688 56.485 54.840 -0.072 0.000 0.755 221 L CB -0.559 41.523 42.059 0.038 0.000 0.904 221 L HN 0.184 nan 8.230 nan 0.000 0.435 222 K N 0.211 120.565 120.400 -0.077 0.000 2.032 222 K HA -0.226 4.094 4.320 0.000 0.000 0.209 222 K C 1.459 177.996 176.600 -0.105 0.000 1.048 222 K CA 1.968 58.214 56.287 -0.069 0.000 0.927 222 K CB -0.037 32.442 32.500 -0.035 0.000 0.712 222 K HN 0.202 nan 8.250 nan 0.000 0.441 223 D N 0.727 121.041 120.400 -0.143 0.000 2.312 223 D HA -0.080 4.560 4.640 0.000 0.000 0.211 223 D C 1.358 177.532 176.300 -0.209 0.000 0.964 223 D CA 0.681 54.589 54.000 -0.153 0.000 0.877 223 D CB 0.155 40.875 40.800 -0.133 0.000 0.924 223 D HN 0.266 nan 8.370 nan 0.000 0.515 224 E N -0.315 119.702 120.200 -0.306 0.000 2.478 224 E HA 0.105 4.455 4.350 0.000 0.000 0.194 224 E C 1.317 177.825 176.600 -0.154 0.000 1.045 224 E CA 0.384 56.620 56.400 -0.274 0.000 0.868 224 E CB 0.315 29.784 29.700 -0.386 0.000 0.885 224 E HN 0.261 nan 8.360 nan 0.000 0.505 225 G N 1.441 110.165 108.800 -0.126 0.000 2.147 225 G HA2 -0.268 3.692 3.960 0.000 0.000 0.244 225 G HA3 -0.268 3.692 3.960 0.000 0.000 0.244 225 G C 0.667 175.523 174.900 -0.074 0.000 1.005 225 G CA 0.471 45.521 45.100 -0.083 0.000 0.713 225 G HN 0.330 nan 8.290 nan 0.000 0.515 226 L N 0.863 122.035 121.223 -0.086 0.000 2.808 226 L HA 0.190 4.530 4.340 0.000 0.000 0.246 226 L C 2.510 179.346 176.870 -0.056 0.000 1.153 226 L CA 0.817 55.614 54.840 -0.071 0.000 0.956 226 L CB 0.355 42.366 42.059 -0.080 0.000 1.270 226 L HN 0.370 nan 8.230 nan 0.000 0.528 227 S N -0.559 115.112 115.700 -0.048 0.000 2.423 227 S HA -0.184 4.287 4.470 0.000 0.000 0.231 227 S C 1.606 176.191 174.600 -0.024 0.000 1.014 227 S CA 1.092 59.273 58.200 -0.031 0.000 0.965 227 S CB -0.329 62.855 63.200 -0.026 0.000 0.785 227 S HN 0.592 nan 8.310 nan 0.000 0.495 228 D N 1.824 122.209 120.400 -0.025 0.000 2.310 228 D HA -0.163 4.477 4.640 0.000 0.000 0.212 228 D C 1.738 178.026 176.300 -0.019 0.000 0.965 228 D CA 0.753 54.742 54.000 -0.018 0.000 0.879 228 D CB -0.342 40.447 40.800 -0.018 0.000 0.921 228 D HN 0.529 nan 8.370 nan 0.000 0.510 229 R N -0.263 120.217 120.500 -0.034 0.000 2.307 229 R HA 0.265 4.606 4.340 0.000 0.000 0.200 229 R C -0.112 176.151 176.300 -0.062 0.000 0.893 229 R CA 0.016 56.087 56.100 -0.048 0.000 1.042 229 R CB 1.729 31.987 30.300 -0.069 0.000 1.059 229 R HN 0.018 nan 8.270 nan 0.000 0.530 230 V N 2.512 122.396 119.914 -0.050 0.000 2.488 230 V HA 0.201 4.321 4.120 0.000 0.000 0.293 230 V C -0.867 175.215 176.094 -0.019 0.000 1.027 230 V CA -1.057 61.209 62.300 -0.056 0.000 0.862 230 V CB 2.094 33.876 31.823 -0.069 0.000 1.008 230 V HN 0.007 nan 8.190 nan 0.000 0.428 231 D N 2.645 123.047 120.400 0.004 0.000 2.348 231 D HA 0.631 5.271 4.640 0.000 0.000 0.249 231 D C -0.371 175.936 176.300 0.013 0.000 1.110 231 D CA -0.117 53.894 54.000 0.017 0.000 0.967 231 D CB 2.570 43.393 40.800 0.038 0.000 1.139 231 D HN 0.282 nan 8.370 nan 0.000 0.466 232 V N 0.651 120.574 119.914 0.014 0.000 2.789 232 V HA 0.470 4.590 4.120 0.000 0.000 0.311 232 V C -0.304 175.798 176.094 0.012 0.000 1.073 232 V CA -0.778 61.530 62.300 0.014 0.000 0.921 232 V CB 2.372 34.205 31.823 0.017 0.000 1.009 232 V HN 0.267 nan 8.190 nan 0.000 0.426 233 V N 2.801 122.721 119.914 0.010 0.000 2.567 233 V HA 0.322 4.443 4.120 0.000 0.000 0.298 233 V C -0.148 175.945 176.094 -0.002 0.000 1.047 233 V CA -0.600 61.703 62.300 0.005 0.000 0.880 233 V CB 1.781 33.609 31.823 0.008 0.000 1.009 233 V HN 0.967 nan 8.190 nan 0.000 0.429 234 E N 2.675 122.871 120.200 -0.006 0.000 2.366 234 E HA 0.515 4.865 4.350 0.000 0.000 0.266 234 E C 0.385 176.970 176.600 -0.025 0.000 1.015 234 E CA 0.682 57.072 56.400 -0.017 0.000 0.906 234 E CB 1.010 30.702 29.700 -0.014 0.000 0.979 234 E HN 0.932 nan 8.360 nan 0.000 0.443 235 G N 3.172 111.945 108.800 -0.046 0.000 2.427 235 G HA2 0.139 4.100 3.960 0.000 0.000 0.306 235 G HA3 0.139 4.100 3.960 0.000 0.000 0.306 235 G C -1.760 173.070 174.900 -0.117 0.000 1.280 235 G CA -0.622 44.445 45.100 -0.056 0.000 0.837 235 G HN 0.502 nan 8.290 nan 0.000 0.482 236 D N -0.439 119.895 120.400 -0.110 0.000 2.620 236 D HA 0.451 5.091 4.640 0.000 0.000 0.252 236 D C 0.758 176.982 176.300 -0.126 0.000 1.207 236 D CA -0.920 52.968 54.000 -0.187 0.000 0.884 236 D CB 1.153 41.913 40.800 -0.066 0.000 1.262 236 D HN 0.243 nan 8.370 nan 0.000 0.552 237 F N 2.260 122.098 119.950 -0.187 0.000 2.802 237 F HA 0.268 4.795 4.527 0.000 0.000 0.300 237 F C 0.978 176.548 175.800 -0.383 0.000 1.168 237 F CA -0.530 57.302 58.000 -0.280 0.000 1.433 237 F CB -1.273 37.527 39.000 -0.333 0.000 1.115 237 F HN 0.173 nan 8.300 nan 0.000 0.582 238 F N 0.308 120.365 119.950 0.179 0.000 2.661 238 F HA 0.132 4.659 4.527 0.000 0.000 0.298 238 F C 1.236 177.046 175.800 0.017 0.000 1.137 238 F CA 0.144 58.177 58.000 0.054 0.000 1.454 238 F CB -0.041 38.941 39.000 -0.029 0.000 1.103 238 F HN -0.044 nan 8.300 nan 0.000 0.577 239 E N -0.390 119.898 120.200 0.147 0.000 2.243 239 E HA 0.346 4.696 4.350 0.000 0.000 0.260 239 E C -2.381 174.252 176.600 0.055 0.000 0.985 239 E CA -2.639 53.812 56.400 0.085 0.000 0.858 239 E CB 0.515 30.249 29.700 0.056 0.000 1.210 239 E HN -0.290 nan 8.360 nan 0.000 0.411 240 P HA 0.010 nan 4.420 nan 0.000 0.265 240 P C -0.591 176.721 177.300 0.020 0.000 1.187 240 P CA 0.399 63.514 63.100 0.024 0.000 0.766 240 P CB 0.336 32.046 31.700 0.017 0.000 0.820 241 L N 5.394 126.626 121.223 0.015 0.000 2.418 241 L HA 0.197 4.537 4.340 0.000 0.000 0.265 241 L C -0.908 175.966 176.870 0.007 0.000 1.143 241 L CA -1.626 53.223 54.840 0.015 0.000 0.809 241 L CB 0.217 42.283 42.059 0.012 0.000 1.124 241 L HN 0.339 nan 8.230 nan 0.000 0.456 242 P HA -0.077 nan 4.420 nan 0.000 0.220 242 P C -0.122 177.170 177.300 -0.014 0.000 1.144 242 P CA 1.236 64.335 63.100 -0.002 0.000 0.800 242 P CB 0.179 31.881 31.700 0.004 0.000 0.772 243 R N -1.517 118.974 120.500 -0.014 0.000 2.644 243 R HA 0.194 4.534 4.340 0.000 0.000 0.257 243 R C -0.710 175.577 176.300 -0.022 0.000 1.082 243 R CA -0.714 55.363 56.100 -0.039 0.000 0.927 243 R CB 1.444 31.702 30.300 -0.070 0.000 1.258 243 R HN -0.176 nan 8.270 nan 0.000 0.459 244 K N 1.165 121.546 120.400 -0.031 0.000 2.180 244 K HA 0.575 4.895 4.320 0.000 0.000 0.251 244 K C -0.434 176.171 176.600 0.009 0.000 1.014 244 K CA -0.044 56.238 56.287 -0.009 0.000 0.913 244 K CB 1.174 33.668 32.500 -0.010 0.000 1.008 244 K HN 0.623 nan 8.250 nan 0.000 0.490 245 A N 0.805 123.652 122.820 0.044 0.000 2.612 245 A HA 0.238 4.558 4.320 0.000 0.000 0.293 245 A C -0.454 177.181 177.584 0.085 0.000 1.075 245 A CA -0.734 51.362 52.037 0.097 0.000 0.680 245 A CB 1.121 20.202 19.000 0.135 0.000 1.279 245 A HN 0.721 nan 8.150 nan 0.000 0.411 246 D N 0.233 120.702 120.400 0.115 0.000 2.213 246 D HA 0.272 4.912 4.640 0.000 0.000 0.205 246 D C 0.777 177.150 176.300 0.121 0.000 0.961 246 D CA 1.724 55.793 54.000 0.115 0.000 0.853 246 D CB 0.420 41.306 40.800 0.143 0.000 0.967 246 D HN 0.751 nan 8.370 nan 0.000 0.496 247 A N 0.715 123.608 122.820 0.121 0.000 2.393 247 A HA 0.653 4.973 4.320 0.000 0.000 0.306 247 A C -0.852 176.736 177.584 0.007 0.000 1.050 247 A CA -0.525 51.558 52.037 0.078 0.000 0.724 247 A CB 1.505 20.633 19.000 0.212 0.000 1.248 247 A HN 0.020 nan 8.150 nan 0.000 0.424 248 I N 3.939 124.479 120.570 -0.051 0.000 2.439 248 I HA 0.314 4.485 4.170 0.000 0.000 0.285 248 I C -0.758 175.291 176.117 -0.115 0.000 1.021 248 I CA -0.472 60.786 61.300 -0.070 0.000 1.091 248 I CB 1.510 39.482 38.000 -0.046 0.000 1.242 248 I HN 0.463 nan 8.210 nan 0.000 0.439 249 I N 6.998 127.481 120.570 -0.145 0.000 2.428 249 I HA 0.414 4.584 4.170 0.000 0.000 0.296 249 I C -0.220 175.849 176.117 -0.080 0.000 0.985 249 I CA -0.577 60.623 61.300 -0.167 0.000 1.260 249 I CB 1.648 39.435 38.000 -0.356 0.000 1.389 249 I HN 0.457 nan 8.210 nan 0.000 0.484 250 L N 4.658 125.874 121.223 -0.011 0.000 2.529 250 L HA 0.199 4.540 4.340 0.000 0.000 0.258 250 L C -0.185 176.775 176.870 0.151 0.000 1.032 250 L CA -0.063 54.793 54.840 0.027 0.000 0.899 250 L CB 1.568 43.602 42.059 -0.041 0.000 1.174 250 L HN 0.554 nan 8.230 nan 0.000 0.458 251 S N 2.677 118.549 115.700 0.288 0.000 2.461 251 S HA 0.499 4.969 4.470 0.000 0.000 0.322 251 S C 0.152 175.084 174.600 0.553 0.000 1.063 251 S CA -0.162 58.354 58.200 0.527 0.000 1.120 251 S CB -0.049 63.603 63.200 0.754 0.000 0.968 251 S HN 0.456 nan 8.310 nan 0.000 0.467 252 F N 2.980 123.090 119.950 0.267 0.000 3.027 252 F HA -0.202 4.325 4.527 0.001 0.000 0.276 252 F C 0.854 176.799 175.800 0.242 0.000 0.967 252 F CA 0.512 58.642 58.000 0.218 0.000 0.929 252 F CB -1.755 37.375 39.000 0.217 0.000 0.873 252 F HN 0.451 nan 8.300 nan 0.000 0.787 253 V N -0.684 119.406 119.914 0.294 0.000 2.854 253 V HA -0.046 4.074 4.120 0.000 0.000 0.236 253 V C 1.993 178.284 176.094 0.328 0.000 1.157 253 V CA 1.040 63.528 62.300 0.314 0.000 1.187 253 V CB -0.097 31.826 31.823 0.167 0.000 0.949 253 V HN 0.399 nan 8.190 nan 0.000 0.488 254 L N 1.061 122.425 121.223 0.235 0.000 2.079 254 L HA -0.189 4.151 4.340 0.000 0.000 0.210 254 L C 2.560 179.564 176.870 0.224 0.000 1.081 254 L CA 1.994 56.998 54.840 0.272 0.000 0.752 254 L CB -0.786 41.432 42.059 0.265 0.000 0.896 254 L HN 0.465 nan 8.230 nan 0.000 0.433 255 L N -1.901 119.403 121.223 0.135 0.000 2.189 255 L HA -0.225 4.115 4.340 0.000 0.000 0.214 255 L C 1.713 178.560 176.870 -0.039 0.000 1.097 255 L CA 1.879 56.733 54.840 0.024 0.000 0.764 255 L CB -0.923 41.135 42.059 -0.001 0.000 0.900 255 L HN 0.315 nan 8.230 nan 0.000 0.436 256 N N -1.297 117.373 118.700 -0.050 0.000 2.585 256 N HA -0.057 4.684 4.740 0.000 0.000 0.188 256 N C -0.566 174.550 175.510 -0.657 0.000 1.102 256 N CA 0.696 53.519 53.050 -0.378 0.000 0.920 256 N CB -0.078 38.123 38.487 -0.476 0.000 0.963 256 N HN 0.432 nan 8.380 nan 0.000 0.447 257 W N 0.511 121.844 121.300 0.055 0.000 2.819 257 W HA 0.390 5.050 4.660 0.000 0.000 0.337 257 W C -2.431 174.062 176.519 -0.042 0.000 1.077 257 W CA -2.137 55.233 57.345 0.041 0.000 1.226 257 W CB 0.854 30.365 29.460 0.085 0.000 1.419 257 W HN -0.273 nan 8.180 nan 0.000 0.502 258 P HA 0.002 nan 4.420 nan 0.000 0.270 258 P C 0.610 177.910 177.300 0.000 0.000 1.223 258 P CA 0.131 63.253 63.100 0.037 0.000 0.785 258 P CB 0.941 32.653 31.700 0.019 0.000 0.923 259 D N 0.425 120.836 120.400 0.018 0.000 2.248 259 D HA -0.270 4.370 4.640 0.000 0.000 0.189 259 D C 1.699 178.026 176.300 0.045 0.000 1.011 259 D CA 1.875 55.890 54.000 0.026 0.000 0.868 259 D CB -0.668 40.162 40.800 0.050 0.000 0.931 259 D HN 0.655 nan 8.370 nan 0.000 0.449 260 H N -0.380 118.735 119.070 0.074 0.000 2.395 260 H HA -0.006 4.550 4.556 0.001 0.000 0.299 260 H C 1.143 176.525 175.328 0.090 0.000 1.070 260 H CA 1.237 57.324 56.048 0.064 0.000 1.356 260 H CB -0.266 29.524 29.762 0.046 0.000 1.401 260 H HN 0.091 nan 8.280 nan 0.000 0.524 261 D N 1.558 121.731 120.400 -0.380 0.000 2.144 261 D HA -0.009 4.632 4.640 0.000 0.000 0.200 261 D C 2.310 178.634 176.300 0.040 0.000 0.978 261 D CA 1.437 55.395 54.000 -0.069 0.000 0.833 261 D CB -0.221 40.581 40.800 0.002 0.000 0.961 261 D HN 0.550 nan 8.370 nan 0.000 0.470 262 A N 0.429 123.264 122.820 0.026 0.000 2.014 262 A HA -0.043 4.277 4.320 0.000 0.000 0.218 262 A C 2.438 180.012 177.584 -0.017 0.000 1.163 262 A CA 0.545 52.579 52.037 -0.006 0.000 0.652 262 A CB -0.386 18.653 19.000 0.065 0.000 0.808 262 A HN 0.113 nan 8.150 nan 0.000 0.449 263 V N 0.137 120.063 119.914 0.021 0.000 2.427 263 V HA -0.226 3.894 4.120 0.000 0.000 0.248 263 V C 2.642 178.752 176.094 0.027 0.000 1.051 263 V CA 2.008 64.327 62.300 0.032 0.000 1.048 263 V CB -0.708 31.148 31.823 0.055 0.000 0.666 263 V HN 0.522 nan 8.190 nan 0.000 0.456 264 R N -0.329 120.204 120.500 0.055 0.000 2.066 264 R HA -0.075 4.265 4.340 0.000 0.000 0.232 264 R C 2.260 178.570 176.300 0.016 0.000 1.131 264 R CA 1.655 57.807 56.100 0.088 0.000 0.955 264 R CB -0.466 29.959 30.300 0.208 0.000 0.851 264 R HN 0.421 nan 8.270 nan 0.000 0.432 265 I N 1.044 121.546 120.570 -0.114 0.000 2.208 265 I HA -0.304 3.867 4.170 0.000 0.000 0.245 265 I C 2.291 178.282 176.117 -0.210 0.000 1.097 265 I CA 1.360 62.455 61.300 -0.342 0.000 1.363 265 I CB -0.225 37.351 38.000 -0.707 0.000 1.051 265 I HN 0.145 nan 8.210 nan 0.000 0.413 266 L N -0.277 120.872 121.223 -0.123 0.000 2.156 266 L HA -0.160 4.180 4.340 0.000 0.000 0.208 266 L C 2.541 179.387 176.870 -0.040 0.000 1.095 266 L CA 1.224 56.023 54.840 -0.069 0.000 0.770 266 L CB -0.597 41.453 42.059 -0.014 0.000 0.914 266 L HN 0.243 nan 8.230 nan 0.000 0.439 267 T N -1.161 113.379 114.554 -0.023 0.000 2.777 267 T HA -0.167 4.183 4.350 0.000 0.000 0.266 267 T C 2.024 176.719 174.700 -0.009 0.000 1.040 267 T CA 0.972 63.069 62.100 -0.004 0.000 1.141 267 T CB -0.062 68.815 68.868 0.015 0.000 0.868 267 T HN 0.086 nan 8.240 nan 0.000 0.444 268 R N 0.599 121.087 120.500 -0.020 0.000 2.096 268 R HA -0.007 4.333 4.340 0.000 0.000 0.235 268 R C 2.569 178.853 176.300 -0.027 0.000 1.127 268 R CA 1.094 57.185 56.100 -0.016 0.000 0.968 268 R CB -1.148 29.138 30.300 -0.022 0.000 0.861 268 R HN 0.433 nan 8.270 nan 0.000 0.440 269 C N -0.993 118.277 119.300 -0.051 0.000 2.446 269 C HA 0.049 4.509 4.460 0.000 0.000 0.277 269 C C 2.690 177.664 174.990 -0.026 0.000 1.275 269 C CA 0.556 59.546 59.018 -0.047 0.000 1.727 269 C CB -1.110 26.586 27.740 -0.074 0.000 2.010 269 C HN 0.584 nan 8.230 nan 0.000 0.486 270 A N 0.499 123.307 122.820 -0.020 0.000 1.969 270 A HA -0.182 4.139 4.320 0.000 0.000 0.218 270 A C 1.975 179.558 177.584 -0.002 0.000 1.169 270 A CA 1.533 53.565 52.037 -0.008 0.000 0.635 270 A CB -0.494 18.505 19.000 -0.003 0.000 0.810 270 A HN 0.714 nan 8.150 nan 0.000 0.445 271 E N -0.628 119.571 120.200 -0.002 0.000 2.216 271 E HA 0.071 4.421 4.350 0.000 0.000 0.192 271 E C 1.790 178.392 176.600 0.003 0.000 0.988 271 E CA 0.648 57.050 56.400 0.003 0.000 0.834 271 E CB -0.092 29.611 29.700 0.006 0.000 0.772 271 E HN 0.594 nan 8.360 nan 0.000 0.479 272 A N 0.487 123.307 122.820 0.000 0.000 2.275 272 A HA 0.106 4.426 4.320 0.000 0.000 0.212 272 A C 0.546 178.134 177.584 0.007 0.000 1.201 272 A CA -0.211 51.827 52.037 0.002 0.000 0.843 272 A CB 0.147 19.148 19.000 0.002 0.000 0.873 272 A HN 0.090 nan 8.150 nan 0.000 0.492 273 L N 1.574 122.801 121.223 0.007 0.000 2.281 273 L HA 0.271 4.611 4.340 0.000 0.000 0.285 273 L C 0.022 176.902 176.870 0.018 0.000 1.074 273 L CA -0.305 54.543 54.840 0.013 0.000 0.817 273 L CB 0.460 42.523 42.059 0.007 0.000 1.168 273 L HN 0.248 nan 8.230 nan 0.000 0.434 274 E N 5.668 125.883 120.200 0.027 0.000 2.408 274 E HA 0.152 4.502 4.350 0.000 0.000 0.259 274 E C -2.178 174.439 176.600 0.028 0.000 1.110 274 E CA -1.626 54.791 56.400 0.028 0.000 0.929 274 E CB -0.209 29.514 29.700 0.039 0.000 0.971 274 E HN 0.437 nan 8.360 nan 0.000 0.438 275 P HA -0.023 nan 4.420 nan 0.000 0.262 275 P C 0.660 177.978 177.300 0.029 0.000 1.182 275 P CA 0.992 64.106 63.100 0.023 0.000 0.761 275 P CB 0.222 31.934 31.700 0.019 0.000 0.795 276 G N 1.930 110.747 108.800 0.028 0.000 2.168 276 G HA2 -0.176 3.784 3.960 0.000 0.000 0.263 276 G HA3 -0.176 3.784 3.960 0.000 0.000 0.263 276 G C 0.614 175.544 174.900 0.049 0.000 0.977 276 G CA -0.057 45.063 45.100 0.033 0.000 0.659 276 G HN 0.904 nan 8.290 nan 0.000 0.533 277 G N -0.977 107.853 108.800 0.050 0.000 2.528 277 G HA2 0.652 4.612 3.960 0.000 0.000 0.289 277 G HA3 0.652 4.612 3.960 0.000 0.000 0.289 277 G C -0.108 174.822 174.900 0.050 0.000 1.192 277 G CA -0.609 44.530 45.100 0.065 0.000 0.921 277 G HN 0.360 nan 8.290 nan 0.000 0.512 278 R N -0.589 119.936 120.500 0.042 0.000 2.725 278 R HA 0.393 4.733 4.340 0.000 0.000 0.277 278 R C -1.020 175.232 176.300 -0.081 0.000 0.987 278 R CA -0.806 55.286 56.100 -0.013 0.000 0.901 278 R CB 2.215 32.518 30.300 0.005 0.000 1.207 278 R HN 0.435 nan 8.270 nan 0.000 0.463 279 I N 3.410 123.926 120.570 -0.089 0.000 2.331 279 I HA 0.305 4.475 4.170 0.000 0.000 0.292 279 I C -0.090 175.932 176.117 -0.159 0.000 0.998 279 I CA -0.471 60.764 61.300 -0.108 0.000 1.267 279 I CB 0.944 38.901 38.000 -0.072 0.000 1.386 279 I HN 0.193 nan 8.210 nan 0.000 0.476 280 L N 7.817 128.928 121.223 -0.188 0.000 2.294 280 L HA 0.527 4.867 4.340 0.000 0.000 0.283 280 L C -0.408 176.401 176.870 -0.101 0.000 1.015 280 L CA -0.481 54.242 54.840 -0.195 0.000 0.831 280 L CB 1.004 42.897 42.059 -0.276 0.000 1.217 280 L HN 0.471 nan 8.230 nan 0.000 0.420 281 I N 2.556 123.049 120.570 -0.128 0.000 2.312 281 I HA 0.143 4.314 4.170 0.000 0.000 0.291 281 I C -0.087 175.995 176.117 -0.058 0.000 1.031 281 I CA -0.437 60.782 61.300 -0.135 0.000 1.293 281 I CB 0.764 38.553 38.000 -0.352 0.000 1.403 281 I HN 0.538 nan 8.210 nan 0.000 0.484 282 H N 6.652 125.716 119.070 -0.011 0.000 2.640 282 H HA 0.466 5.023 4.556 0.000 0.000 0.297 282 H C -0.526 174.681 175.328 -0.200 0.000 1.073 282 H CA 0.221 56.296 56.048 0.045 0.000 1.305 282 H CB 0.783 30.749 29.762 0.340 0.000 1.404 282 H HN 0.733 nan 8.280 nan 0.000 0.459 283 E N 3.168 122.992 120.200 -0.627 0.000 1.869 283 E HA 0.364 4.714 4.350 0.000 0.000 0.121 283 E C -0.701 175.604 176.600 -0.492 0.000 1.708 283 E CA -0.823 55.032 56.400 -0.908 0.000 1.029 283 E CB 1.142 30.483 29.700 -0.599 0.000 1.888 283 E HN 0.606 nan 8.360 nan 0.000 0.649 284 R N 0.474 120.815 120.500 -0.265 0.000 2.854 284 R HA 0.477 4.817 4.340 0.000 0.000 0.271 284 R C -0.931 175.429 176.300 0.100 0.000 0.996 284 R CA -0.600 55.477 56.100 -0.038 0.000 0.961 284 R CB 1.467 31.761 30.300 -0.011 0.000 1.182 284 R HN 0.395 nan 8.270 nan 0.000 0.479 285 D N 0.245 120.730 120.400 0.141 0.000 2.651 285 D HA 0.120 4.760 4.640 0.000 0.000 0.280 285 D C -1.041 175.382 176.300 0.206 0.000 1.496 285 D CA -0.290 53.834 54.000 0.207 0.000 0.792 285 D CB 0.337 41.164 40.800 0.044 0.000 1.144 285 D HN 0.428 nan 8.370 nan 0.000 0.470 286 D N 0.505 121.031 120.400 0.210 0.000 2.472 286 D HA 0.070 4.710 4.640 0.000 0.000 0.237 286 D C 0.492 176.859 176.300 0.111 0.000 1.141 286 D CA 0.352 54.445 54.000 0.156 0.000 0.875 286 D CB 0.797 41.698 40.800 0.168 0.000 1.192 286 D HN 0.230 nan 8.370 nan 0.000 0.450 287 L N 1.951 123.220 121.223 0.076 0.000 2.456 287 L HA 0.038 4.379 4.340 0.000 0.000 0.272 287 L C 1.737 178.619 176.870 0.020 0.000 1.189 287 L CA 0.030 54.912 54.840 0.070 0.000 0.846 287 L CB 0.380 42.481 42.059 0.070 0.000 1.111 287 L HN 0.604 nan 8.230 nan 0.000 0.475 288 H N 1.880 120.921 119.070 -0.048 0.000 2.352 288 H HA -0.235 4.321 4.556 0.001 0.000 0.299 288 H C 1.814 177.129 175.328 -0.022 0.000 1.097 288 H CA 2.227 58.212 56.048 -0.105 0.000 1.311 288 H CB 0.289 30.026 29.762 -0.040 0.000 1.377 288 H HN 0.786 nan 8.280 nan 0.000 0.504 289 E N -0.140 120.169 120.200 0.182 0.000 2.219 289 E HA -0.219 4.131 4.350 0.000 0.000 0.198 289 E C 0.843 177.496 176.600 0.089 0.000 0.998 289 E CA 1.651 58.149 56.400 0.163 0.000 0.818 289 E CB -0.293 29.479 29.700 0.119 0.000 0.741 289 E HN 0.685 nan 8.360 nan 0.000 0.477 290 N N 0.478 119.180 118.700 0.003 0.000 2.279 290 N HA 0.052 4.792 4.740 0.000 0.000 0.226 290 N C 0.299 175.720 175.510 -0.149 0.000 1.126 290 N CA 0.301 53.341 53.050 -0.017 0.000 0.846 290 N CB 0.887 39.383 38.487 0.015 0.000 1.050 290 N HN 0.173 nan 8.380 nan 0.000 0.502 291 S N -0.524 114.952 115.700 -0.373 0.000 2.554 291 S HA 0.192 4.663 4.470 0.000 0.000 0.226 291 S C 0.055 174.165 174.600 -0.816 0.000 0.980 291 S CA -0.563 57.089 58.200 -0.913 0.000 0.939 291 S CB -0.319 61.917 63.200 -1.606 0.000 0.832 291 S HN 0.112 nan 8.310 nan 0.000 0.486 292 F N 3.914 123.672 119.950 -0.319 0.000 2.894 292 F HA 0.440 4.967 4.527 0.000 0.000 0.310 292 F C 0.395 176.136 175.800 -0.099 0.000 1.204 292 F CA -0.870 57.013 58.000 -0.195 0.000 1.290 292 F CB -0.510 38.393 39.000 -0.162 0.000 1.317 292 F HN 0.421 nan 8.300 nan 0.000 0.545 293 N N -2.698 116.008 118.700 0.011 0.000 2.610 293 N HA 0.283 5.023 4.740 0.000 0.000 0.264 293 N C 0.007 175.546 175.510 0.047 0.000 1.348 293 N CA -0.991 52.087 53.050 0.047 0.000 0.819 293 N CB 0.852 39.374 38.487 0.058 0.000 1.521 293 N HN 0.036 nan 8.380 nan 0.000 0.497 294 E N -0.555 119.667 120.200 0.036 0.000 2.274 294 E HA -0.128 4.222 4.350 0.000 0.000 0.194 294 E C 0.565 177.171 176.600 0.010 0.000 0.996 294 E CA 0.943 57.350 56.400 0.012 0.000 0.840 294 E CB -0.126 29.570 29.700 -0.007 0.000 0.772 294 E HN 0.549 nan 8.360 nan 0.000 0.491 295 Q N -0.579 119.247 119.800 0.043 0.000 2.472 295 Q HA 0.025 4.365 4.340 0.000 0.000 0.208 295 Q C 1.117 177.086 176.000 -0.052 0.000 0.958 295 Q CA 0.602 56.430 55.803 0.042 0.000 0.932 295 Q CB 0.038 28.878 28.738 0.170 0.000 1.007 295 Q HN 0.356 nan 8.270 nan 0.000 0.508 296 F N -0.531 119.311 119.950 -0.180 0.000 2.453 296 F HA -0.007 4.520 4.527 0.000 0.000 0.284 296 F C 2.057 177.742 175.800 -0.191 0.000 1.065 296 F CA 1.140 58.997 58.000 -0.240 0.000 1.411 296 F CB 0.037 38.898 39.000 -0.231 0.000 1.131 296 F HN 0.073 nan 8.300 nan 0.000 0.582 297 T N -2.295 112.346 114.554 0.144 0.000 2.995 297 T HA -0.070 4.280 4.350 0.000 0.000 0.269 297 T C 1.568 176.221 174.700 -0.079 0.000 1.091 297 T CA 1.310 63.443 62.100 0.054 0.000 1.128 297 T CB -0.420 68.478 68.868 0.050 0.000 0.891 297 T HN 0.397 nan 8.240 nan 0.000 0.492 298 E N 0.463 120.600 120.200 -0.106 0.000 2.028 298 E HA -0.015 4.335 4.350 0.000 0.000 0.191 298 E C 2.015 178.524 176.600 -0.150 0.000 0.988 298 E CA 0.924 57.251 56.400 -0.122 0.000 0.799 298 E CB -0.203 29.427 29.700 -0.117 0.000 0.755 298 E HN 0.291 nan 8.360 nan 0.000 0.447 299 L N 1.540 122.634 121.223 -0.215 0.000 2.056 299 L HA -0.166 4.175 4.340 0.000 0.000 0.207 299 L C 1.827 178.517 176.870 -0.300 0.000 1.078 299 L CA 2.045 56.737 54.840 -0.246 0.000 0.749 299 L CB -0.450 41.457 42.059 -0.252 0.000 0.901 299 L HN 0.042 nan 8.230 nan 0.000 0.433 300 D N -1.184 118.988 120.400 -0.380 0.000 2.117 300 D HA -0.185 4.455 4.640 0.000 0.000 0.198 300 D C 2.133 178.311 176.300 -0.204 0.000 0.982 300 D CA 1.402 55.182 54.000 -0.366 0.000 0.828 300 D CB -0.037 40.475 40.800 -0.480 0.000 0.967 300 D HN 0.418 nan 8.370 nan 0.000 0.464 301 L N -0.285 120.874 121.223 -0.107 0.000 2.131 301 L HA 0.076 4.416 4.340 0.000 0.000 0.206 301 L C 2.695 179.521 176.870 -0.074 0.000 1.087 301 L CA 0.357 55.207 54.840 0.017 0.000 0.767 301 L CB -0.306 41.868 42.059 0.192 0.000 0.917 301 L HN -0.004 nan 8.230 nan 0.000 0.441 302 R N -0.495 119.908 120.500 -0.161 0.000 2.103 302 R HA -0.218 4.122 4.340 0.000 0.000 0.242 302 R C 2.196 177.952 176.300 -0.908 0.000 1.142 302 R CA 1.551 57.156 56.100 -0.826 0.000 0.960 302 R CB -0.407 29.376 30.300 -0.862 0.000 0.858 302 R HN 0.237 nan 8.270 nan 0.000 0.439 303 M N 0.319 119.617 119.600 -0.502 0.000 2.132 303 M HA -0.110 4.370 4.480 0.000 0.000 0.263 303 M C 2.077 178.205 176.300 -0.287 0.000 1.065 303 M CA 1.150 56.226 55.300 -0.373 0.000 1.122 303 M CB -0.535 31.906 32.600 -0.264 0.000 1.365 303 M HN 0.079 nan 8.290 nan 0.000 0.411 304 L N -0.956 120.130 121.223 -0.227 0.000 2.013 304 L HA -0.154 4.186 4.340 0.000 0.000 0.212 304 L C 2.162 178.943 176.870 -0.149 0.000 1.073 304 L CA 1.806 56.557 54.840 -0.148 0.000 0.753 304 L CB -0.843 41.161 42.059 -0.092 0.000 0.890 304 L HN 0.160 nan 8.230 nan 0.000 0.432 305 V N -1.348 118.428 119.914 -0.231 0.000 2.725 305 V HA -0.097 4.024 4.120 0.000 0.000 0.247 305 V C 2.120 178.234 176.094 0.033 0.000 1.058 305 V CA 1.158 63.347 62.300 -0.185 0.000 1.080 305 V CB -0.160 31.367 31.823 -0.493 0.000 0.713 305 V HN 0.420 nan 8.190 nan 0.000 0.465 306 F N -1.128 118.642 119.950 -0.299 0.000 2.187 306 F HA 0.028 4.555 4.527 0.000 0.000 0.295 306 F C 1.808 177.385 175.800 -0.371 0.000 1.091 306 F CA 0.980 58.777 58.000 -0.338 0.000 1.308 306 F CB 0.346 38.964 39.000 -0.637 0.000 1.030 306 F HN 0.120 nan 8.300 nan 0.000 0.487 307 L N -1.906 119.217 121.223 -0.168 0.000 3.467 307 L HA 0.322 4.662 4.340 0.000 0.000 0.315 307 L C 1.186 177.948 176.870 -0.180 0.000 1.184 307 L CA 0.469 55.148 54.840 -0.267 0.000 1.124 307 L CB 1.139 42.922 42.059 -0.460 0.000 1.585 307 L HN 0.164 nan 8.230 nan 0.000 0.617 308 G N 0.403 109.128 108.800 -0.124 0.000 2.143 308 G HA2 -0.223 3.737 3.960 0.000 0.000 0.248 308 G HA3 -0.223 3.737 3.960 0.000 0.000 0.248 308 G C 0.531 175.385 174.900 -0.078 0.000 0.991 308 G CA 0.097 45.157 45.100 -0.067 0.000 0.689 308 G HN 0.504 nan 8.290 nan 0.000 0.522 309 G N -0.974 107.742 108.800 -0.141 0.000 2.532 309 G HA2 0.967 4.927 3.960 0.000 0.000 0.291 309 G HA3 0.967 4.927 3.960 0.000 0.000 0.291 309 G C -0.035 174.791 174.900 -0.123 0.000 1.349 309 G CA 0.263 45.286 45.100 -0.128 0.000 1.038 309 G HN 1.791 nan 8.290 nan 0.000 0.518 310 A N -1.388 121.357 122.820 -0.125 0.000 2.594 310 A HA 0.569 4.889 4.320 0.000 0.000 0.296 310 A C -0.753 176.731 177.584 -0.166 0.000 1.061 310 A CA -0.679 51.274 52.037 -0.140 0.000 0.689 310 A CB 0.657 19.594 19.000 -0.105 0.000 1.280 310 A HN 0.675 nan 8.150 nan 0.000 0.406 311 L N 1.408 122.495 121.223 -0.227 0.000 2.426 311 L HA 0.387 4.727 4.340 0.000 0.000 0.271 311 L C 0.639 177.448 176.870 -0.102 0.000 1.169 311 L CA 0.157 54.861 54.840 -0.226 0.000 0.836 311 L CB 0.484 42.198 42.059 -0.575 0.000 1.112 311 L HN 0.689 nan 8.230 nan 0.000 0.465 312 R N 1.253 121.692 120.500 -0.103 0.000 2.393 312 R HA 0.316 4.656 4.340 0.000 0.000 0.315 312 R C -0.152 176.134 176.300 -0.024 0.000 0.952 312 R CA -0.523 55.419 56.100 -0.263 0.000 0.842 312 R CB 1.851 31.596 30.300 -0.926 0.000 1.163 312 R HN 0.709 nan 8.270 nan 0.000 0.450 313 T N -0.783 113.789 114.554 0.030 0.000 2.726 313 T HA 0.105 4.456 4.350 0.000 0.000 0.294 313 T C 1.380 176.181 174.700 0.170 0.000 1.013 313 T CA -0.632 61.550 62.100 0.136 0.000 0.996 313 T CB 1.167 70.101 68.868 0.109 0.000 1.016 313 T HN 0.572 nan 8.240 nan 0.000 0.529 314 R N 0.742 121.359 120.500 0.195 0.000 2.113 314 R HA -0.194 4.146 4.340 0.000 0.000 0.244 314 R C 2.247 178.669 176.300 0.202 0.000 1.142 314 R CA 2.423 58.656 56.100 0.221 0.000 0.953 314 R CB -0.496 29.888 30.300 0.141 0.000 0.860 314 R HN 0.882 nan 8.270 nan 0.000 0.438 315 E N -0.316 119.952 120.200 0.112 0.000 2.274 315 E HA -0.110 4.241 4.350 0.000 0.000 0.194 315 E C 1.567 178.198 176.600 0.051 0.000 0.996 315 E CA 0.953 57.398 56.400 0.075 0.000 0.840 315 E CB -0.041 29.680 29.700 0.034 0.000 0.772 315 E HN 0.178 nan 8.360 nan 0.000 0.491 316 K N -0.321 120.073 120.400 -0.010 0.000 2.288 316 K HA -0.014 4.306 4.320 0.000 0.000 0.201 316 K C 1.093 177.603 176.600 -0.150 0.000 1.048 316 K CA 0.857 57.065 56.287 -0.132 0.000 0.956 316 K CB -0.192 32.150 32.500 -0.262 0.000 0.746 316 K HN 0.244 nan 8.250 nan 0.000 0.461 317 W N 0.972 122.279 121.300 0.011 0.000 2.443 317 W HA -0.090 4.570 4.660 0.001 0.000 0.296 317 W C 1.613 178.134 176.519 0.004 0.000 1.202 317 W CA 0.440 57.787 57.345 0.003 0.000 1.312 317 W CB -0.043 29.416 29.460 -0.002 0.000 1.120 317 W HN 0.045 nan 8.180 nan 0.000 0.536 318 D N -0.373 120.160 120.400 0.221 0.000 2.158 318 D HA -0.163 4.478 4.640 0.000 0.000 0.197 318 D C 2.303 178.656 176.300 0.088 0.000 0.995 318 D CA 1.886 55.964 54.000 0.130 0.000 0.846 318 D CB -0.887 39.968 40.800 0.091 0.000 0.941 318 D HN 0.282 nan 8.370 nan 0.000 0.456 319 G N 0.272 109.108 108.800 0.060 0.000 2.430 319 G HA2 -0.141 3.819 3.960 0.000 0.000 0.216 319 G HA3 -0.141 3.819 3.960 0.000 0.000 0.216 319 G C 1.639 176.559 174.900 0.032 0.000 1.146 319 G CA 0.081 45.200 45.100 0.032 0.000 0.793 319 G HN 0.193 nan 8.290 nan 0.000 0.537 320 L N 1.282 122.524 121.223 0.031 0.000 2.027 320 L HA 0.170 4.510 4.340 0.000 0.000 0.206 320 L C 3.133 180.053 176.870 0.082 0.000 1.074 320 L CA 2.034 56.897 54.840 0.038 0.000 0.745 320 L CB -0.566 41.498 42.059 0.008 0.000 0.898 320 L HN 0.226 nan 8.230 nan 0.000 0.433 321 A N -0.652 122.243 122.820 0.125 0.000 1.877 321 A HA -0.166 4.154 4.320 0.000 0.000 0.216 321 A C 2.441 180.063 177.584 0.063 0.000 1.186 321 A CA 1.930 54.029 52.037 0.103 0.000 0.620 321 A CB -1.237 17.831 19.000 0.113 0.000 0.822 321 A HN 0.530 nan 8.150 nan 0.000 0.443 322 A N -1.047 121.807 122.820 0.057 0.000 1.940 322 A HA -0.123 4.197 4.320 0.000 0.000 0.219 322 A C 2.458 180.063 177.584 0.035 0.000 1.176 322 A CA 2.161 54.222 52.037 0.041 0.000 0.631 322 A CB -0.940 18.082 19.000 0.037 0.000 0.814 322 A HN 0.511 nan 8.150 nan 0.000 0.446 323 S N -0.816 114.906 115.700 0.037 0.000 2.423 323 S HA 0.071 4.541 4.470 0.000 0.000 0.231 323 S C 1.697 176.317 174.600 0.034 0.000 1.014 323 S CA 1.069 59.289 58.200 0.033 0.000 0.965 323 S CB -0.313 62.907 63.200 0.035 0.000 0.785 323 S HN 0.774 nan 8.310 nan 0.000 0.495 324 A N -0.145 122.696 122.820 0.035 0.000 2.307 324 A HA 0.526 4.846 4.320 0.000 0.000 0.218 324 A C 1.370 178.968 177.584 0.023 0.000 1.228 324 A CA 0.560 52.615 52.037 0.029 0.000 0.857 324 A CB -0.900 18.116 19.000 0.027 0.000 0.897 324 A HN 1.065 nan 8.150 nan 0.000 0.495 325 G N -0.693 108.122 108.800 0.025 0.000 2.246 325 G HA2 -0.219 3.741 3.960 0.000 0.000 0.273 325 G HA3 -0.219 3.741 3.960 0.000 0.000 0.273 325 G C -0.071 174.841 174.900 0.020 0.000 1.055 325 G CA 0.810 45.922 45.100 0.021 0.000 0.851 325 G HN 0.504 nan 8.290 nan 0.000 0.500 326 L N -1.875 119.363 121.223 0.025 0.000 2.230 326 L HA 0.953 5.293 4.340 0.000 0.000 0.255 326 L C -0.047 176.841 176.870 0.029 0.000 1.039 326 L CA -1.476 53.378 54.840 0.023 0.000 0.846 326 L CB 2.254 44.327 42.059 0.022 0.000 1.419 326 L HN 0.093 nan 8.230 nan 0.000 0.435 327 V N 0.286 120.214 119.914 0.025 0.000 2.971 327 V HA 0.435 4.555 4.120 0.000 0.000 0.309 327 V C -0.963 175.144 176.094 0.022 0.000 1.130 327 V CA -0.583 61.734 62.300 0.028 0.000 0.964 327 V CB 2.580 34.417 31.823 0.023 0.000 1.029 327 V HN 0.343 nan 8.190 nan 0.000 0.427 328 V N 6.521 126.452 119.914 0.028 0.000 2.370 328 V HA 0.250 4.370 4.120 0.000 0.000 0.257 328 V C 1.269 177.367 176.094 0.006 0.000 1.064 328 V CA 0.172 62.477 62.300 0.010 0.000 0.975 328 V CB 0.391 32.227 31.823 0.021 0.000 1.067 328 V HN 1.026 nan 8.190 nan 0.000 0.485 329 E N 3.813 124.013 120.200 -0.000 0.000 2.051 329 E HA -0.121 4.229 4.350 0.000 0.000 0.192 329 E C 0.575 177.176 176.600 0.002 0.000 0.991 329 E CA 1.322 57.724 56.400 0.004 0.000 0.799 329 E CB 0.363 30.067 29.700 0.008 0.000 0.748 329 E HN 0.962 nan 8.360 nan 0.000 0.449 330 E N -1.751 118.445 120.200 -0.008 0.000 2.417 330 E HA 0.412 4.763 4.350 0.000 0.000 0.280 330 E C -1.449 175.133 176.600 -0.030 0.000 1.112 330 E CA -0.672 55.722 56.400 -0.009 0.000 0.863 330 E CB 1.447 31.147 29.700 0.001 0.000 1.346 330 E HN -0.158 nan 8.360 nan 0.000 0.443 331 V N 0.775 120.672 119.914 -0.027 0.000 2.588 331 V HA 0.560 4.680 4.120 0.000 0.000 0.304 331 V C -0.634 175.452 176.094 -0.014 0.000 1.042 331 V CA -0.836 61.437 62.300 -0.045 0.000 0.877 331 V CB 1.523 33.310 31.823 -0.061 0.000 0.996 331 V HN 0.567 nan 8.190 nan 0.000 0.425 332 R N 3.077 123.575 120.500 -0.004 0.000 2.295 332 R HA 0.520 4.860 4.340 0.000 0.000 0.324 332 R C -0.385 175.932 176.300 0.029 0.000 0.968 332 R CA -0.559 55.554 56.100 0.021 0.000 0.837 332 R CB 1.161 31.486 30.300 0.042 0.000 1.133 332 R HN 0.607 nan 8.270 nan 0.000 0.450 333 Q N 2.639 122.458 119.800 0.032 0.000 2.354 333 Q HA 0.243 4.583 4.340 0.000 0.000 0.244 333 Q C -0.449 175.582 176.000 0.053 0.000 0.969 333 Q CA -0.262 55.565 55.803 0.040 0.000 0.885 333 Q CB 1.076 29.836 28.738 0.036 0.000 1.241 333 Q HN 0.299 nan 8.270 nan 0.000 0.461 334 L N 3.901 125.161 121.223 0.062 0.000 2.502 334 L HA 0.332 4.672 4.340 0.000 0.000 0.247 334 L C -2.167 174.725 176.870 0.036 0.000 1.180 334 L CA -1.773 53.107 54.840 0.066 0.000 0.956 334 L CB 0.336 42.462 42.059 0.111 0.000 1.282 334 L HN 0.322 nan 8.230 nan 0.000 0.470 335 P HA 0.313 nan 4.420 nan 0.000 0.272 335 P C -0.237 177.050 177.300 -0.022 0.000 1.230 335 P CA -0.005 63.093 63.100 -0.003 0.000 0.788 335 P CB 1.793 33.495 31.700 0.003 0.000 0.949 336 S N 0.655 116.323 115.700 -0.053 0.000 2.543 336 S HA 0.453 4.923 4.470 0.000 0.000 0.274 336 S C -2.361 172.191 174.600 -0.081 0.000 1.149 336 S CA -0.902 57.259 58.200 -0.066 0.000 0.866 336 S CB 1.413 64.563 63.200 -0.084 0.000 1.111 336 S HN 0.300 nan 8.310 nan 0.000 0.457 337 P HA 0.144 nan 4.420 nan 0.000 0.231 337 P C 1.075 178.331 177.300 -0.073 0.000 1.168 337 P CA 0.736 63.802 63.100 -0.058 0.000 0.779 337 P CB -0.187 31.489 31.700 -0.039 0.000 0.844 338 T N 0.628 115.127 114.554 -0.092 0.000 3.055 338 T HA 0.126 4.476 4.350 0.000 0.000 0.265 338 T C 1.061 175.675 174.700 -0.143 0.000 1.111 338 T CA 0.569 62.610 62.100 -0.099 0.000 1.118 338 T CB -0.382 68.430 68.868 -0.094 0.000 0.909 338 T HN 0.209 nan 8.240 nan 0.000 0.501 339 I N -1.108 119.334 120.570 -0.214 0.000 2.619 339 I HA 0.401 4.571 4.170 0.000 0.000 0.292 339 I C -2.329 173.606 176.117 -0.304 0.000 1.100 339 I CA -2.792 58.296 61.300 -0.353 0.000 1.043 339 I CB 2.215 39.767 38.000 -0.747 0.000 1.239 339 I HN -0.347 nan 8.210 nan 0.000 0.420 340 P HA -0.054 nan 4.420 nan 0.000 0.226 340 P C -0.352 176.959 177.300 0.018 0.000 1.153 340 P CA 1.274 64.355 63.100 -0.033 0.000 0.777 340 P CB -0.271 31.466 31.700 0.061 0.000 0.794 341 Y N -1.782 118.535 120.300 0.028 0.000 2.602 341 Y HA 0.767 5.318 4.550 0.001 0.000 0.330 341 Y C -0.451 175.471 175.900 0.037 0.000 1.114 341 Y CA -1.897 56.229 58.100 0.043 0.000 1.182 341 Y CB 0.305 38.806 38.460 0.069 0.000 1.305 341 Y HN -0.393 nan 8.280 nan 0.000 0.502 342 D N 1.393 121.936 120.400 0.239 0.000 2.217 342 D HA 0.411 5.051 4.640 0.000 0.000 0.243 342 D C -0.561 175.870 176.300 0.219 0.000 1.054 342 D CA -0.261 53.820 54.000 0.135 0.000 0.838 342 D CB 1.647 42.508 40.800 0.101 0.000 1.162 342 D HN 0.597 nan 8.370 nan 0.000 0.472 343 L N 1.246 122.558 121.223 0.149 0.000 2.453 343 L HA 0.433 4.773 4.340 0.000 0.000 0.261 343 L C 0.535 177.436 176.870 0.051 0.000 1.179 343 L CA -0.164 54.744 54.840 0.113 0.000 0.813 343 L CB 0.704 42.831 42.059 0.112 0.000 1.110 343 L HN 0.340 nan 8.230 nan 0.000 0.466 344 S N 1.742 117.423 115.700 -0.032 0.000 2.632 344 S HA 0.606 5.077 4.470 0.000 0.000 0.289 344 S C -0.943 173.643 174.600 -0.023 0.000 1.115 344 S CA -0.791 57.393 58.200 -0.027 0.000 0.889 344 S CB 2.290 65.443 63.200 -0.078 0.000 1.116 344 S HN 0.434 nan 8.310 nan 0.000 0.486 345 L N 2.430 123.659 121.223 0.009 0.000 2.388 345 L HA 0.473 4.813 4.340 0.000 0.000 0.267 345 L C -1.886 174.935 176.870 -0.081 0.000 0.995 345 L CA -0.692 54.167 54.840 0.031 0.000 0.864 345 L CB 0.694 42.827 42.059 0.123 0.000 1.216 345 L HN 0.640 nan 8.230 nan 0.000 0.430 346 L N 5.037 126.143 121.223 -0.194 0.000 2.319 346 L HA 0.333 4.673 4.340 0.000 0.000 0.280 346 L C 0.323 177.088 176.870 -0.175 0.000 1.099 346 L CA -0.160 54.540 54.840 -0.233 0.000 0.828 346 L CB 1.388 43.189 42.059 -0.431 0.000 1.150 346 L HN 0.369 nan 8.230 nan 0.000 0.442 347 V N 4.422 124.264 119.914 -0.119 0.000 2.370 347 V HA 0.604 4.724 4.120 0.000 0.000 0.279 347 V C -0.637 175.413 176.094 -0.072 0.000 1.029 347 V CA -0.435 61.803 62.300 -0.104 0.000 0.870 347 V CB 1.356 33.148 31.823 -0.051 0.000 0.984 347 V HN 0.533 nan 8.190 nan 0.000 0.451 348 L N 6.567 127.746 121.223 -0.074 0.000 2.341 348 L HA 0.937 5.277 4.340 0.000 0.000 0.278 348 L C 0.406 177.263 176.870 -0.023 0.000 1.005 348 L CA 0.162 54.977 54.840 -0.041 0.000 0.818 348 L CB 1.482 43.516 42.059 -0.040 0.000 1.259 348 L HN 1.031 nan 8.230 nan 0.000 0.418 349 A N 4.399 127.217 122.820 -0.004 0.000 2.346 349 A HA 0.988 5.308 4.320 0.000 0.000 0.313 349 A C -2.672 174.917 177.584 0.007 0.000 1.140 349 A CA -1.799 50.240 52.037 0.005 0.000 0.826 349 A CB 0.834 19.841 19.000 0.012 0.000 1.332 349 A HN 0.498 nan 8.150 nan 0.000 0.457 350 P HA 0.193 nan 4.420 nan 0.000 0.268 350 P C 0.752 178.060 177.300 0.013 0.000 1.208 350 P CA 0.705 63.811 63.100 0.011 0.000 0.777 350 P CB 0.664 32.371 31.700 0.011 0.000 0.875 351 A N 2.030 124.859 122.820 0.014 0.000 1.940 351 A HA 0.160 4.480 4.320 0.000 0.000 0.219 351 A C 1.047 178.639 177.584 0.013 0.000 1.176 351 A CA 2.205 54.252 52.037 0.015 0.000 0.631 351 A CB -0.870 18.140 19.000 0.017 0.000 0.814 351 A HN 0.690 nan 8.150 nan 0.000 0.446 352 A N 0.000 122.827 122.820 0.012 0.000 2.254 352 A HA 0.000 4.320 4.320 0.000 0.000 0.244 352 A CA 0.000 52.043 52.037 0.011 0.000 0.836 352 A CB 0.000 19.006 19.000 0.010 0.000 0.831 352 A HN 0.000 nan 8.150 nan 0.000 0.486