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 2o1x_1_B DATA FIRST_RESID 8 DATA SEQUENCE SDTPLLDQIH GPKDLKRLSR EQLPALTEEL RGEIVRVCSR GGLHLASSLG DATA SEQUENCE AVDIITALHY VLDSPRDRIL FDVGHQAYAH KILTGRRDQM ADIKKEGGIS DATA SEQUENCE GFTKVSESEH DAITVGHAST SLTNALGMAL ARDAQGKDFH VAAVIGDGSL DATA SEQUENCE TGGMALAALN TIGDMGRKML IVLNDNEMSI SENVGAMNKF MRXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXASVNP FAAMGVRYVG DATA SEQUENCE PVDGHNVQEL VWLLERLVDL DGPTILHIVT TKGKGLSYAE ADPIYWHGPA DATA SEQUENCE KFDPATGEYV PSSAYSWSAA FGEAVTEWAK TDPRTFVVTP AMREGSGLVE DATA SEQUENCE FSRVHPHRYL DVGIAEEVAV TTAAGMALQG MRPVVAIYST FLQRAYDQVL DATA SEQUENCE HDVAIEHLNV TFCIDRAGIV GADGATHNGV FDLSFLRSIP GVRIGLPKDA DATA SEQUENCE AELRGMLKYA QTHDGPFAIR YPRGNTAQVP AGTWPDLKWG EWERLKGGDD DATA SEQUENCE VVILAGGKAL DYALKAAEDL PGVGVVNARF VKPLDEEMLR EVGGRARALI DATA SEQUENCE TVEDNTVVGG FGGAVLEALN SMNLHPTVRV LGIPDEFQEH ATAESVHARA DATA SEQUENCE GIDAPAIRTV LAELGVDVPI EV 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 8 S HA 0.000 nan 4.470 nan 0.000 0.327 8 S C 0.000 174.596 174.600 -0.006 0.000 1.055 8 S CA 0.000 58.198 58.200 -0.004 0.000 1.107 8 S CB 0.000 63.197 63.200 -0.004 0.000 0.593 9 D N 0.759 121.156 120.400 -0.005 0.000 2.429 9 D HA -0.173 4.466 4.640 -0.001 0.000 0.162 9 D C 0.428 176.723 176.300 -0.008 0.000 1.615 9 D CA 2.858 56.855 54.000 -0.006 0.000 1.630 9 D CB -1.413 39.384 40.800 -0.005 0.000 1.347 9 D HN 1.012 nan 8.370 nan 0.000 0.454 10 T N -4.578 109.968 114.554 -0.012 0.000 3.732 10 T HA 0.528 4.877 4.350 -0.001 0.000 0.234 10 T C -2.303 172.385 174.700 -0.020 0.000 1.146 10 T CA -1.019 61.070 62.100 -0.017 0.000 1.454 10 T CB 1.508 70.362 68.868 -0.023 0.000 0.910 10 T HN -0.119 nan 8.240 nan 0.000 0.640 11 P HA -0.059 nan 4.420 nan 0.000 0.214 11 P C 1.668 178.958 177.300 -0.017 0.000 1.163 11 P CA 0.858 63.950 63.100 -0.012 0.000 0.889 11 P CB 0.106 31.802 31.700 -0.006 0.000 0.790 12 L N -1.480 119.733 121.223 -0.016 0.000 2.017 12 L HA -0.144 4.196 4.340 -0.001 0.000 0.208 12 L C 2.608 179.455 176.870 -0.038 0.000 1.073 12 L CA 1.276 56.106 54.840 -0.017 0.000 0.745 12 L CB -1.093 40.961 42.059 -0.007 0.000 0.894 12 L HN -0.049 nan 8.230 nan 0.000 0.432 13 L N -0.116 121.079 121.223 -0.047 0.000 2.191 13 L HA -0.224 4.115 4.340 -0.001 0.000 0.212 13 L C 1.877 178.675 176.870 -0.121 0.000 1.103 13 L CA 1.113 55.907 54.840 -0.077 0.000 0.769 13 L CB -0.354 41.668 42.059 -0.063 0.000 0.908 13 L HN 0.328 nan 8.230 nan 0.000 0.438 14 D N -0.474 119.871 120.400 -0.091 0.000 2.263 14 D HA -0.156 4.484 4.640 -0.001 0.000 0.208 14 D C 1.728 177.938 176.300 -0.150 0.000 0.971 14 D CA 0.868 54.808 54.000 -0.100 0.000 0.867 14 D CB 0.116 40.891 40.800 -0.043 0.000 0.929 14 D HN 0.357 nan 8.370 nan 0.000 0.492 15 Q N -0.333 119.389 119.800 -0.131 0.000 2.219 15 Q HA 0.253 4.593 4.340 -0.001 0.000 0.209 15 Q C 0.122 176.025 176.000 -0.162 0.000 0.854 15 Q CA -0.061 55.687 55.803 -0.093 0.000 0.960 15 Q CB 1.269 30.004 28.738 -0.004 0.000 1.116 15 Q HN 0.322 nan 8.270 nan 0.000 0.500 16 I N 1.322 121.712 120.570 -0.300 0.000 2.354 16 I HA 0.202 4.372 4.170 -0.001 0.000 0.286 16 I C 0.790 176.675 176.117 -0.385 0.000 1.007 16 I CA -0.404 60.760 61.300 -0.228 0.000 1.167 16 I CB 0.948 38.873 38.000 -0.125 0.000 1.320 16 I HN 0.054 nan 8.210 nan 0.000 0.458 17 H N 4.418 123.466 119.070 -0.036 0.000 2.827 17 H HA 0.427 4.982 4.556 -0.001 0.000 0.269 17 H C 0.743 176.035 175.328 -0.060 0.000 1.031 17 H CA 0.065 56.088 56.048 -0.041 0.000 1.202 17 H CB 1.702 31.451 29.762 -0.021 0.000 1.511 17 H HN 0.743 nan 8.280 nan 0.000 0.517 18 G N 0.404 109.213 108.800 0.015 0.000 2.495 18 G HA2 0.148 4.108 3.960 -0.001 0.000 0.294 18 G HA3 0.148 4.108 3.960 -0.001 0.000 0.294 18 G C -2.342 172.514 174.900 -0.072 0.000 1.397 18 G CA -0.922 44.137 45.100 -0.067 0.000 0.790 18 G HN -0.323 nan 8.290 nan 0.000 0.486 19 P HA -0.029 nan 4.420 nan 0.000 0.223 19 P C 1.519 178.830 177.300 0.017 0.000 1.144 19 P CA 1.031 64.122 63.100 -0.014 0.000 0.783 19 P CB 0.301 32.060 31.700 0.099 0.000 0.771 20 K N -0.483 119.934 120.400 0.027 0.000 2.103 20 K HA -0.093 4.227 4.320 -0.001 0.000 0.204 20 K C 1.600 178.209 176.600 0.015 0.000 1.052 20 K CA 1.190 57.489 56.287 0.020 0.000 0.945 20 K CB -0.250 32.271 32.500 0.036 0.000 0.722 20 K HN -0.009 nan 8.250 nan 0.000 0.443 21 D N 0.576 120.993 120.400 0.028 0.000 2.144 21 D HA -0.152 4.487 4.640 -0.001 0.000 0.200 21 D C 1.813 178.129 176.300 0.027 0.000 0.978 21 D CA 0.681 54.702 54.000 0.035 0.000 0.833 21 D CB -0.113 40.717 40.800 0.051 0.000 0.961 21 D HN 0.101 nan 8.370 nan 0.000 0.470 22 L N 1.534 122.770 121.223 0.021 0.000 2.042 22 L HA -0.162 4.178 4.340 -0.001 0.000 0.210 22 L C 1.556 178.474 176.870 0.080 0.000 1.076 22 L CA 1.815 56.694 54.840 0.065 0.000 0.749 22 L CB -0.344 41.759 42.059 0.073 0.000 0.893 22 L HN -0.168 nan 8.230 nan 0.000 0.432 23 K N -0.743 119.629 120.400 -0.048 0.000 2.589 23 K HA 0.000 4.320 4.320 -0.001 0.000 0.192 23 K C 1.738 178.301 176.600 -0.061 0.000 1.029 23 K CA 0.179 56.333 56.287 -0.221 0.000 1.031 23 K CB -0.020 32.314 32.500 -0.276 0.000 0.821 23 K HN 0.385 nan 8.250 nan 0.000 0.502 24 R N 0.276 120.797 120.500 0.036 0.000 2.223 24 R HA 0.147 4.486 4.340 -0.001 0.000 0.198 24 R C 0.448 176.811 176.300 0.105 0.000 0.984 24 R CA 0.111 56.245 56.100 0.058 0.000 1.018 24 R CB 0.139 30.465 30.300 0.045 0.000 0.945 24 R HN 0.095 nan 8.270 nan 0.000 0.479 25 L N 1.416 122.736 121.223 0.163 0.000 2.397 25 L HA 0.114 4.454 4.340 -0.001 0.000 0.271 25 L C 0.484 177.488 176.870 0.223 0.000 1.148 25 L CA -0.107 54.831 54.840 0.163 0.000 0.825 25 L CB 1.190 43.335 42.059 0.143 0.000 1.117 25 L HN -0.008 nan 8.230 nan 0.000 0.456 26 S N 1.526 117.300 115.700 0.123 0.000 2.584 26 S HA 0.127 4.596 4.470 -0.001 0.000 0.270 26 S C 1.300 175.899 174.600 -0.002 0.000 1.346 26 S CA -0.695 57.563 58.200 0.097 0.000 1.018 26 S CB 0.933 64.165 63.200 0.053 0.000 0.899 26 S HN 0.566 nan 8.310 nan 0.000 0.542 27 R N 1.975 122.440 120.500 -0.058 0.000 2.091 27 R HA -0.131 4.209 4.340 -0.001 0.000 0.238 27 R C 1.394 177.618 176.300 -0.126 0.000 1.136 27 R CA 1.304 57.278 56.100 -0.210 0.000 0.959 27 R CB -0.615 29.606 30.300 -0.131 0.000 0.856 27 R HN 0.705 nan 8.270 nan 0.000 0.437 28 E N 1.499 121.665 120.200 -0.056 0.000 2.516 28 E HA -0.158 4.191 4.350 -0.001 0.000 0.199 28 E C 1.309 177.889 176.600 -0.033 0.000 1.069 28 E CA 0.754 57.131 56.400 -0.039 0.000 0.876 28 E CB -0.116 29.572 29.700 -0.019 0.000 0.843 28 E HN 0.523 nan 8.360 nan 0.000 0.530 29 Q N 0.117 119.897 119.800 -0.034 0.000 2.402 29 Q HA 0.187 4.527 4.340 -0.001 0.000 0.206 29 Q C 2.171 178.151 176.000 -0.033 0.000 0.919 29 Q CA -0.009 55.782 55.803 -0.020 0.000 0.923 29 Q CB 0.186 28.926 28.738 0.003 0.000 1.048 29 Q HN 0.260 nan 8.270 nan 0.000 0.515 30 L N 0.647 121.829 121.223 -0.069 0.000 2.046 30 L HA -0.133 4.206 4.340 -0.001 0.000 0.208 30 L C -0.819 176.025 176.870 -0.042 0.000 1.077 30 L CA 1.133 55.928 54.840 -0.075 0.000 0.747 30 L CB -1.330 40.633 42.059 -0.159 0.000 0.896 30 L HN 0.135 nan 8.230 nan 0.000 0.432 31 P HA -0.228 nan 4.420 nan 0.000 0.216 31 P C 1.477 178.765 177.300 -0.020 0.000 1.153 31 P CA 1.929 65.014 63.100 -0.025 0.000 0.858 31 P CB -0.017 31.667 31.700 -0.027 0.000 0.789 32 A N -0.673 122.136 122.820 -0.019 0.000 1.877 32 A HA -0.191 4.129 4.320 -0.001 0.000 0.216 32 A C 2.140 179.717 177.584 -0.011 0.000 1.186 32 A CA 1.578 53.606 52.037 -0.015 0.000 0.620 32 A CB -1.699 17.294 19.000 -0.012 0.000 0.822 32 A HN 0.170 nan 8.150 nan 0.000 0.443 33 L N -0.437 120.781 121.223 -0.009 0.000 2.079 33 L HA -0.124 4.216 4.340 -0.001 0.000 0.210 33 L C 2.424 179.293 176.870 -0.002 0.000 1.081 33 L CA 2.746 57.583 54.840 -0.004 0.000 0.752 33 L CB -1.174 40.887 42.059 0.004 0.000 0.896 33 L HN 0.357 nan 8.230 nan 0.000 0.433 34 T N -0.732 113.821 114.554 -0.002 0.000 2.759 34 T HA -0.167 4.182 4.350 -0.001 0.000 0.269 34 T C 1.791 176.488 174.700 -0.005 0.000 1.042 34 T CA 1.565 63.666 62.100 0.003 0.000 1.140 34 T CB -0.106 68.764 68.868 0.004 0.000 0.864 34 T HN 0.410 nan 8.240 nan 0.000 0.455 35 E N 0.787 120.980 120.200 -0.012 0.000 2.072 35 E HA -0.074 4.276 4.350 -0.001 0.000 0.190 35 E C 2.308 178.903 176.600 -0.009 0.000 0.982 35 E CA 0.859 57.249 56.400 -0.016 0.000 0.803 35 E CB -0.160 29.529 29.700 -0.019 0.000 0.755 35 E HN 0.627 nan 8.360 nan 0.000 0.453 36 E N 0.644 120.839 120.200 -0.008 0.000 2.097 36 E HA -0.174 4.176 4.350 -0.001 0.000 0.196 36 E C 2.290 178.889 176.600 -0.003 0.000 1.000 36 E CA 0.784 57.180 56.400 -0.007 0.000 0.804 36 E CB -0.105 29.587 29.700 -0.012 0.000 0.740 36 E HN 0.214 nan 8.360 nan 0.000 0.454 37 L N 0.284 121.507 121.223 0.000 0.000 2.093 37 L HA -0.148 4.192 4.340 -0.001 0.000 0.208 37 L C 2.576 179.457 176.870 0.020 0.000 1.085 37 L CA 0.942 55.788 54.840 0.009 0.000 0.755 37 L CB -0.287 41.781 42.059 0.014 0.000 0.904 37 L HN 0.078 nan 8.230 nan 0.000 0.435 38 R N -0.100 120.407 120.500 0.012 0.000 2.066 38 R HA -0.098 4.241 4.340 -0.001 0.000 0.232 38 R C 2.395 178.713 176.300 0.030 0.000 1.131 38 R CA 1.254 57.362 56.100 0.014 0.000 0.955 38 R CB -0.827 29.465 30.300 -0.013 0.000 0.851 38 R HN 0.401 nan 8.270 nan 0.000 0.432 39 G N 1.264 110.076 108.800 0.020 0.000 2.529 39 G HA2 -0.388 3.571 3.960 -0.001 0.000 0.219 39 G HA3 -0.388 3.571 3.960 -0.001 0.000 0.219 39 G C 1.331 176.253 174.900 0.037 0.000 1.177 39 G CA 1.414 46.531 45.100 0.028 0.000 0.773 39 G HN 0.359 nan 8.290 nan 0.000 0.573 40 E N 0.290 120.507 120.200 0.028 0.000 2.047 40 E HA -0.029 4.321 4.350 -0.001 0.000 0.191 40 E C 2.532 179.162 176.600 0.051 0.000 0.987 40 E CA 0.775 57.189 56.400 0.024 0.000 0.799 40 E CB -0.326 29.378 29.700 0.007 0.000 0.752 40 E HN 0.510 nan 8.360 nan 0.000 0.449 41 I N 0.155 120.772 120.570 0.078 0.000 2.264 41 I HA -0.276 3.893 4.170 -0.001 0.000 0.248 41 I C 2.115 178.335 176.117 0.171 0.000 1.111 41 I CA 0.811 62.195 61.300 0.140 0.000 1.382 41 I CB -0.234 37.850 38.000 0.140 0.000 1.060 41 I HN 0.099 nan 8.210 nan 0.000 0.418 42 V N 0.667 120.674 119.914 0.154 0.000 2.307 42 V HA -0.243 3.877 4.120 -0.001 0.000 0.245 42 V C 2.510 178.695 176.094 0.150 0.000 1.045 42 V CA 1.755 64.192 62.300 0.230 0.000 1.024 42 V CB -0.794 31.155 31.823 0.210 0.000 0.651 42 V HN 0.370 nan 8.190 nan 0.000 0.449 43 R N -0.278 120.262 120.500 0.067 0.000 2.075 43 R HA -0.097 4.243 4.340 -0.001 0.000 0.232 43 R C 2.307 178.599 176.300 -0.012 0.000 1.126 43 R CA 1.259 57.357 56.100 -0.004 0.000 0.963 43 R CB -0.611 29.685 30.300 -0.006 0.000 0.858 43 R HN 0.390 nan 8.270 nan 0.000 0.435 44 V N 0.529 120.458 119.914 0.026 0.000 2.282 44 V HA -0.362 3.757 4.120 -0.001 0.000 0.249 44 V C 2.281 178.396 176.094 0.034 0.000 1.057 44 V CA 1.897 64.205 62.300 0.013 0.000 1.032 44 V CB -0.366 31.466 31.823 0.015 0.000 0.645 44 V HN 0.505 nan 8.190 nan 0.000 0.447 45 C N 0.199 119.572 119.300 0.122 0.000 2.495 45 C HA 0.004 4.464 4.460 -0.001 0.000 0.275 45 C C 3.041 178.099 174.990 0.112 0.000 1.392 45 C CA 0.494 59.633 59.018 0.203 0.000 1.766 45 C CB -1.057 26.915 27.740 0.387 0.000 1.933 45 C HN 0.751 nan 8.230 nan 0.000 0.519 46 S N 1.332 116.900 115.700 -0.220 0.000 2.440 46 S HA -0.218 4.252 4.470 -0.001 0.000 0.238 46 S C 1.822 176.232 174.600 -0.316 0.000 1.010 46 S CA 0.984 58.702 58.200 -0.803 0.000 0.972 46 S CB -0.613 62.061 63.200 -0.876 0.000 0.774 46 S HN 0.671 nan 8.310 nan 0.000 0.501 47 R N 1.766 122.186 120.500 -0.133 0.000 2.136 47 R HA 0.006 4.345 4.340 -0.001 0.000 0.242 47 R C 1.407 177.702 176.300 -0.008 0.000 1.131 47 R CA 1.824 57.891 56.100 -0.056 0.000 0.937 47 R CB -0.580 29.701 30.300 -0.031 0.000 0.863 47 R HN 0.625 nan 8.270 nan 0.000 0.435 48 G N -3.233 105.588 108.800 0.035 0.000 2.552 48 G HA2 0.166 4.125 3.960 -0.001 0.000 0.137 48 G HA3 0.166 4.125 3.960 -0.001 0.000 0.137 48 G C -0.995 173.932 174.900 0.045 0.000 1.135 48 G CA -0.356 44.775 45.100 0.050 0.000 1.047 48 G HN 0.359 nan 8.290 nan 0.000 0.501 49 G N 0.712 109.511 108.800 -0.002 0.000 2.621 49 G HA2 0.567 4.526 3.960 -0.001 0.000 0.306 49 G HA3 0.567 4.526 3.960 -0.001 0.000 0.306 49 G C -0.296 174.547 174.900 -0.094 0.000 0.893 49 G CA 0.392 45.461 45.100 -0.053 0.000 1.486 49 G HN 0.595 nan 8.290 nan 0.000 0.477 50 L N 0.699 121.862 121.223 -0.100 0.000 2.503 50 L HA 0.464 4.803 4.340 -0.001 0.000 0.248 50 L C -0.471 176.268 176.870 -0.218 0.000 1.126 50 L CA -1.335 53.428 54.840 -0.129 0.000 0.929 50 L CB 1.734 43.848 42.059 0.092 0.000 1.544 50 L HN 0.261 nan 8.230 nan 0.000 0.404 51 H N 2.042 121.105 119.070 -0.012 0.000 2.788 51 H HA 0.163 4.718 4.556 -0.001 0.000 0.254 51 H C 0.494 175.633 175.328 -0.314 0.000 1.541 51 H CA -0.291 55.600 56.048 -0.262 0.000 1.295 51 H CB 1.193 30.727 29.762 -0.380 0.000 1.592 51 H HN 0.382 nan 8.280 nan 0.000 0.545 52 L N 3.092 124.305 121.223 -0.016 0.000 1.937 52 L HA -0.111 4.228 4.340 -0.001 0.000 0.213 52 L C 2.408 179.260 176.870 -0.029 0.000 1.077 52 L CA 2.137 57.006 54.840 0.048 0.000 0.758 52 L CB -0.728 41.448 42.059 0.196 0.000 0.888 52 L HN 0.506 nan 8.230 nan 0.000 0.433 53 A N -1.391 121.448 122.820 0.032 0.000 1.908 53 A HA -0.222 4.097 4.320 -0.001 0.000 0.218 53 A C 2.396 179.972 177.584 -0.013 0.000 1.181 53 A CA 2.248 54.313 52.037 0.047 0.000 0.627 53 A CB -1.150 17.943 19.000 0.155 0.000 0.818 53 A HN 0.587 nan 8.150 nan 0.000 0.445 54 S N -0.237 115.415 115.700 -0.080 0.000 2.368 54 S HA -0.104 4.366 4.470 -0.001 0.000 0.225 54 S C 2.309 176.758 174.600 -0.252 0.000 1.030 54 S CA 1.490 59.587 58.200 -0.171 0.000 0.999 54 S CB -0.245 62.732 63.200 -0.371 0.000 0.844 54 S HN 0.645 nan 8.310 nan 0.000 0.459 55 S N 1.355 116.859 115.700 -0.326 0.000 2.387 55 S HA 0.143 4.613 4.470 -0.001 0.000 0.226 55 S C 1.781 176.308 174.600 -0.121 0.000 1.026 55 S CA 0.540 58.560 58.200 -0.298 0.000 0.972 55 S CB -0.306 62.589 63.200 -0.508 0.000 0.814 55 S HN 0.345 nan 8.310 nan 0.000 0.477 56 L N 0.997 122.172 121.223 -0.080 0.000 2.042 56 L HA -0.117 4.222 4.340 -0.001 0.000 0.210 56 L C 2.622 179.490 176.870 -0.003 0.000 1.076 56 L CA 1.336 56.158 54.840 -0.030 0.000 0.749 56 L CB -0.918 41.123 42.059 -0.030 0.000 0.893 56 L HN 0.435 nan 8.230 nan 0.000 0.432 57 G N -1.136 107.675 108.800 0.019 0.000 2.509 57 G HA2 -0.082 3.878 3.960 -0.001 0.000 0.218 57 G HA3 -0.082 3.878 3.960 -0.001 0.000 0.218 57 G C 1.332 176.332 174.900 0.167 0.000 1.124 57 G CA 0.669 45.847 45.100 0.129 0.000 0.776 57 G HN 0.476 nan 8.290 nan 0.000 0.547 58 A N -0.313 122.547 122.820 0.067 0.000 2.390 58 A HA 0.532 4.852 4.320 -0.001 0.000 0.232 58 A C 2.116 179.757 177.584 0.095 0.000 1.233 58 A CA 0.284 52.363 52.037 0.070 0.000 0.907 58 A CB 0.246 19.259 19.000 0.020 0.000 0.967 58 A HN 0.109 nan 8.150 nan 0.000 0.512 59 V N 0.980 120.947 119.914 0.089 0.000 2.287 59 V HA -0.271 3.848 4.120 -0.001 0.000 0.248 59 V C 2.107 178.266 176.094 0.109 0.000 1.053 59 V CA 2.469 64.821 62.300 0.086 0.000 1.027 59 V CB -0.581 31.276 31.823 0.056 0.000 0.646 59 V HN 0.592 nan 8.190 nan 0.000 0.447 60 D N -0.306 120.168 120.400 0.125 0.000 2.117 60 D HA -0.133 4.506 4.640 -0.001 0.000 0.198 60 D C 2.050 178.408 176.300 0.097 0.000 0.982 60 D CA 1.243 55.307 54.000 0.107 0.000 0.828 60 D CB -0.123 40.756 40.800 0.131 0.000 0.967 60 D HN 0.455 nan 8.370 nan 0.000 0.464 61 I N 1.379 122.006 120.570 0.096 0.000 2.226 61 I HA -0.194 3.975 4.170 -0.001 0.000 0.245 61 I C 2.262 178.465 176.117 0.143 0.000 1.100 61 I CA 0.887 62.241 61.300 0.090 0.000 1.374 61 I CB -0.117 37.921 38.000 0.063 0.000 1.057 61 I HN -0.116 nan 8.210 nan 0.000 0.413 62 I N -0.185 120.508 120.570 0.204 0.000 2.286 62 I HA -0.319 3.850 4.170 -0.001 0.000 0.248 62 I C 2.229 178.529 176.117 0.305 0.000 1.115 62 I CA 1.764 63.254 61.300 0.317 0.000 1.392 62 I CB -0.633 37.571 38.000 0.340 0.000 1.065 62 I HN 0.262 nan 8.210 nan 0.000 0.418 63 T N 0.713 115.392 114.554 0.208 0.000 2.674 63 T HA -0.158 4.192 4.350 -0.001 0.000 0.265 63 T C 2.109 176.931 174.700 0.203 0.000 1.039 63 T CA 1.410 63.622 62.100 0.187 0.000 1.150 63 T CB -0.474 68.460 68.868 0.109 0.000 0.864 63 T HN 0.460 nan 8.240 nan 0.000 0.427 64 A N 1.330 124.235 122.820 0.141 0.000 1.892 64 A HA -0.070 4.250 4.320 -0.001 0.000 0.218 64 A C 2.366 180.047 177.584 0.161 0.000 1.188 64 A CA 1.468 53.584 52.037 0.130 0.000 0.631 64 A CB -1.052 17.994 19.000 0.077 0.000 0.822 64 A HN 0.464 nan 8.150 nan 0.000 0.447 65 L N -1.691 119.608 121.223 0.125 0.000 2.017 65 L HA -0.200 4.139 4.340 -0.001 0.000 0.208 65 L C 2.659 179.555 176.870 0.044 0.000 1.073 65 L CA 1.494 56.363 54.840 0.048 0.000 0.745 65 L CB -0.666 41.382 42.059 -0.018 0.000 0.894 65 L HN 0.482 nan 8.230 nan 0.000 0.432 66 H N -1.923 117.238 119.070 0.152 0.000 2.491 66 H HA -0.168 4.388 4.556 -0.001 0.000 0.290 66 H C 1.938 177.340 175.328 0.123 0.000 1.050 66 H CA 1.381 57.509 56.048 0.134 0.000 1.309 66 H CB 0.131 29.970 29.762 0.129 0.000 1.392 66 H HN 0.371 nan 8.280 nan 0.000 0.554 67 Y N 0.467 120.855 120.300 0.146 0.000 2.263 67 Y HA -0.159 4.390 4.550 -0.001 0.000 0.292 67 Y C 2.321 178.261 175.900 0.065 0.000 1.130 67 Y CA 0.994 59.151 58.100 0.095 0.000 1.179 67 Y CB 0.066 38.571 38.460 0.075 0.000 0.998 67 Y HN -0.117 nan 8.280 nan 0.000 0.532 68 V N 0.089 120.097 119.914 0.155 0.000 2.426 68 V HA -0.072 4.047 4.120 -0.001 0.000 0.242 68 V C 0.812 176.913 176.094 0.012 0.000 1.036 68 V CA 0.660 63.003 62.300 0.071 0.000 1.044 68 V CB -0.235 31.628 31.823 0.066 0.000 0.688 68 V HN 0.059 nan 8.190 nan 0.000 0.462 69 L N 1.560 122.793 121.223 0.017 0.000 2.399 69 L HA 0.393 4.733 4.340 -0.001 0.000 0.265 69 L C -0.137 176.766 176.870 0.055 0.000 1.089 69 L CA -0.387 54.481 54.840 0.048 0.000 0.802 69 L CB 0.746 42.819 42.059 0.023 0.000 1.180 69 L HN 0.305 nan 8.230 nan 0.000 0.454 70 D N 1.139 121.589 120.400 0.084 0.000 2.479 70 D HA 0.066 4.705 4.640 -0.001 0.000 0.247 70 D C -0.307 176.052 176.300 0.099 0.000 1.119 70 D CA -0.309 53.741 54.000 0.084 0.000 0.922 70 D CB 1.473 42.307 40.800 0.057 0.000 1.014 70 D HN 0.370 nan 8.370 nan 0.000 0.510 71 S N 3.156 118.948 115.700 0.153 0.000 2.549 71 S HA 0.212 4.681 4.470 -0.001 0.000 0.283 71 S C -1.514 173.251 174.600 0.276 0.000 1.320 71 S CA -0.765 57.569 58.200 0.225 0.000 1.058 71 S CB 1.234 64.666 63.200 0.387 0.000 0.882 71 S HN 0.404 nan 8.310 nan 0.000 0.498 72 P HA 0.260 nan 4.420 nan 0.000 0.267 72 P C 0.726 177.955 177.300 -0.117 0.000 1.289 72 P CA -0.121 62.955 63.100 -0.039 0.000 0.866 72 P CB 0.219 31.794 31.700 -0.209 0.000 1.309 73 R N 0.233 120.669 120.500 -0.106 0.000 2.083 73 R HA -0.034 4.306 4.340 -0.001 0.000 0.237 73 R C 0.765 176.901 176.300 -0.273 0.000 1.137 73 R CA 1.158 57.137 56.100 -0.201 0.000 0.951 73 R CB -0.843 29.400 30.300 -0.096 0.000 0.851 73 R HN 0.255 nan 8.270 nan 0.000 0.434 74 D N 0.624 120.981 120.400 -0.071 0.000 2.313 74 D HA 0.154 4.794 4.640 -0.001 0.000 0.247 74 D C -0.201 176.097 176.300 -0.002 0.000 1.094 74 D CA 0.036 54.056 54.000 0.033 0.000 0.925 74 D CB 0.806 41.678 40.800 0.120 0.000 1.188 74 D HN -0.131 nan 8.370 nan 0.000 0.430 75 R N 1.664 122.198 120.500 0.057 0.000 2.393 75 R HA 0.477 4.816 4.340 -0.001 0.000 0.315 75 R C -0.473 175.817 176.300 -0.016 0.000 0.952 75 R CA -0.619 55.492 56.100 0.018 0.000 0.842 75 R CB 0.774 31.096 30.300 0.036 0.000 1.163 75 R HN 0.390 nan 8.270 nan 0.000 0.450 76 I N 4.383 124.910 120.570 -0.072 0.000 2.330 76 I HA 0.267 4.436 4.170 -0.001 0.000 0.289 76 I C -0.377 175.545 176.117 -0.325 0.000 1.001 76 I CA -0.894 60.261 61.300 -0.242 0.000 1.193 76 I CB 1.034 38.841 38.000 -0.323 0.000 1.345 76 I HN 0.148 nan 8.210 nan 0.000 0.461 77 L N 7.215 128.219 121.223 -0.365 0.000 2.282 77 L HA 0.459 4.799 4.340 -0.001 0.000 0.288 77 L C -0.629 175.990 176.870 -0.419 0.000 1.033 77 L CA 0.078 54.758 54.840 -0.266 0.000 0.807 77 L CB 0.629 42.616 42.059 -0.120 0.000 1.209 77 L HN 0.307 nan 8.230 nan 0.000 0.423 78 F N 1.609 121.535 119.950 -0.040 0.000 2.415 78 F HA 0.275 4.802 4.527 -0.001 0.000 0.348 78 F C 0.824 176.637 175.800 0.022 0.000 1.119 78 F CA -0.568 57.422 58.000 -0.016 0.000 1.069 78 F CB 1.136 40.120 39.000 -0.027 0.000 1.124 78 F HN 0.441 nan 8.300 nan 0.000 0.472 79 D N 2.830 123.350 120.400 0.200 0.000 2.351 79 D HA 0.225 4.864 4.640 -0.001 0.000 0.251 79 D C 0.968 177.385 176.300 0.195 0.000 1.137 79 D CA 0.490 54.575 54.000 0.142 0.000 0.879 79 D CB 1.157 42.012 40.800 0.090 0.000 1.181 79 D HN 0.551 nan 8.370 nan 0.000 0.448 80 V N 3.815 123.797 119.914 0.114 0.000 0.524 80 V HA -0.439 3.680 4.120 -0.001 0.000 0.092 80 V C 1.663 177.881 176.094 0.206 0.000 2.204 80 V CA 2.141 64.481 62.300 0.066 0.000 3.556 80 V CB -2.006 29.788 31.823 -0.048 0.000 0.846 80 V HN 0.933 nan 8.190 nan 0.000 0.884 81 G N -0.637 108.385 108.800 0.371 0.000 2.175 81 G HA2 -0.331 3.629 3.960 -0.001 0.000 0.244 81 G HA3 -0.331 3.629 3.960 -0.001 0.000 0.244 81 G C 0.450 175.564 174.900 0.357 0.000 0.982 81 G CA 1.010 46.317 45.100 0.345 0.000 0.641 81 G HN 1.841 nan 8.290 nan 0.000 0.527 82 H N 0.942 120.108 119.070 0.160 0.000 2.457 82 H HA 0.024 4.579 4.556 -0.001 0.000 0.294 82 H C 1.891 177.031 175.328 -0.313 0.000 1.064 82 H CA 1.570 57.505 56.048 -0.188 0.000 1.330 82 H CB -0.277 29.097 29.762 -0.646 0.000 1.395 82 H HN 0.588 nan 8.280 nan 0.000 0.541 83 Q N 1.086 120.450 119.800 -0.727 0.000 2.239 83 Q HA 0.322 4.661 4.340 -0.001 0.000 0.219 83 Q C 0.242 176.003 176.000 -0.399 0.000 0.901 83 Q CA 0.374 55.796 55.803 -0.634 0.000 0.949 83 Q CB -0.240 28.174 28.738 -0.540 0.000 1.038 83 Q HN 0.518 nan 8.270 nan 0.000 0.458 84 A N -0.009 122.605 122.820 -0.342 0.000 2.631 84 A HA 0.289 4.608 4.320 -0.001 0.000 0.294 84 A C 0.117 177.700 177.584 -0.001 0.000 1.156 84 A CA -0.485 51.303 52.037 -0.415 0.000 0.963 84 A CB -0.091 18.377 19.000 -0.887 0.000 1.202 84 A HN 0.174 nan 8.150 nan 0.000 0.523 85 Y N -0.173 120.038 120.300 -0.148 0.000 2.200 85 Y HA -0.136 4.413 4.550 -0.001 0.000 0.290 85 Y C 2.716 178.576 175.900 -0.068 0.000 1.137 85 Y CA 0.739 58.787 58.100 -0.086 0.000 1.163 85 Y CB -1.050 37.375 38.460 -0.059 0.000 0.988 85 Y HN 0.439 nan 8.280 nan 0.000 0.518 86 A N -0.409 122.477 122.820 0.110 0.000 1.940 86 A HA -0.285 4.034 4.320 -0.001 0.000 0.219 86 A C 2.074 179.671 177.584 0.022 0.000 1.176 86 A CA 2.023 54.092 52.037 0.054 0.000 0.631 86 A CB -1.221 17.818 19.000 0.065 0.000 0.814 86 A HN 0.602 nan 8.150 nan 0.000 0.446 87 H N 0.380 119.422 119.070 -0.046 0.000 2.289 87 H HA -0.152 4.403 4.556 -0.001 0.000 0.296 87 H C 1.975 177.250 175.328 -0.088 0.000 1.091 87 H CA 2.438 58.464 56.048 -0.038 0.000 1.274 87 H CB -0.063 29.650 29.762 -0.081 0.000 1.364 87 H HN 0.419 nan 8.280 nan 0.000 0.490 88 K N -0.013 120.295 120.400 -0.153 0.000 2.032 88 K HA -0.133 4.186 4.320 -0.001 0.000 0.209 88 K C 2.453 178.933 176.600 -0.199 0.000 1.048 88 K CA 1.730 57.900 56.287 -0.195 0.000 0.927 88 K CB -0.278 32.162 32.500 -0.101 0.000 0.712 88 K HN 0.380 nan 8.250 nan 0.000 0.441 89 I N 1.384 121.869 120.570 -0.140 0.000 2.335 89 I HA -0.251 3.919 4.170 -0.001 0.000 0.251 89 I C 1.933 177.949 176.117 -0.167 0.000 1.129 89 I CA 1.211 62.437 61.300 -0.124 0.000 1.402 89 I CB -0.175 37.782 38.000 -0.070 0.000 1.069 89 I HN 0.071 nan 8.210 nan 0.000 0.424 90 L N 0.040 121.122 121.223 -0.234 0.000 2.611 90 L HA 0.073 4.412 4.340 -0.001 0.000 0.229 90 L C 0.652 177.269 176.870 -0.423 0.000 1.137 90 L CA 0.287 54.949 54.840 -0.297 0.000 0.901 90 L CB -0.438 41.434 42.059 -0.311 0.000 1.098 90 L HN 0.307 nan 8.230 nan 0.000 0.456 91 T N -3.903 110.397 114.554 -0.423 0.000 3.624 91 T HA 0.450 4.799 4.350 -0.001 0.000 0.244 91 T C 0.981 175.566 174.700 -0.191 0.000 1.063 91 T CA 0.049 61.874 62.100 -0.458 0.000 1.252 91 T CB 0.772 69.226 68.868 -0.690 0.000 1.021 91 T HN 0.259 nan 8.240 nan 0.000 0.590 92 G N 2.177 110.909 108.800 -0.113 0.000 2.168 92 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.263 92 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.263 92 G C 0.641 175.527 174.900 -0.024 0.000 0.977 92 G CA 0.178 45.267 45.100 -0.019 0.000 0.659 92 G HN 0.638 nan 8.290 nan 0.000 0.533 93 R N -0.535 119.924 120.500 -0.067 0.000 2.613 93 R HA 0.328 4.667 4.340 -0.001 0.000 0.361 93 R C 2.048 178.306 176.300 -0.070 0.000 1.072 93 R CA -0.064 56.001 56.100 -0.059 0.000 1.089 93 R CB 0.151 30.410 30.300 -0.070 0.000 1.343 93 R HN 0.338 nan 8.270 nan 0.000 0.571 94 R N 1.092 121.553 120.500 -0.065 0.000 2.081 94 R HA -0.134 4.205 4.340 -0.001 0.000 0.235 94 R C 0.493 176.758 176.300 -0.057 0.000 1.131 94 R CA 1.838 57.896 56.100 -0.070 0.000 0.960 94 R CB 0.177 30.434 30.300 -0.072 0.000 0.856 94 R HN 0.141 nan 8.270 nan 0.000 0.436 95 D N 0.781 121.158 120.400 -0.038 0.000 2.149 95 D HA -0.151 4.488 4.640 -0.001 0.000 0.201 95 D C 1.888 178.165 176.300 -0.039 0.000 0.972 95 D CA 0.976 54.957 54.000 -0.030 0.000 0.835 95 D CB -0.180 40.612 40.800 -0.013 0.000 0.966 95 D HN 0.438 nan 8.370 nan 0.000 0.476 96 Q N -0.067 119.707 119.800 -0.044 0.000 2.436 96 Q HA 0.006 4.345 4.340 -0.001 0.000 0.209 96 Q C 1.770 177.724 176.000 -0.078 0.000 0.965 96 Q CA 0.360 56.135 55.803 -0.047 0.000 0.910 96 Q CB -0.259 28.457 28.738 -0.036 0.000 0.980 96 Q HN 0.291 nan 8.270 nan 0.000 0.491 97 M N 1.240 120.778 119.600 -0.102 0.000 2.202 97 M HA -0.095 4.385 4.480 -0.001 0.000 0.262 97 M C 2.280 178.509 176.300 -0.118 0.000 1.063 97 M CA 1.484 56.694 55.300 -0.150 0.000 1.097 97 M CB -1.289 31.219 32.600 -0.154 0.000 1.382 97 M HN 0.308 nan 8.290 nan 0.000 0.413 98 A N 0.560 123.334 122.820 -0.077 0.000 1.940 98 A HA -0.209 4.110 4.320 -0.001 0.000 0.221 98 A C 1.517 179.067 177.584 -0.056 0.000 1.190 98 A CA 2.201 54.204 52.037 -0.057 0.000 0.647 98 A CB -0.667 18.309 19.000 -0.040 0.000 0.821 98 A HN 0.527 nan 8.150 nan 0.000 0.457 99 D N -1.183 119.183 120.400 -0.055 0.000 2.463 99 D HA 0.220 4.859 4.640 -0.001 0.000 0.224 99 D C 0.201 176.469 176.300 -0.053 0.000 1.174 99 D CA -0.342 53.635 54.000 -0.039 0.000 0.829 99 D CB -0.099 40.693 40.800 -0.013 0.000 0.993 99 D HN 0.540 nan 8.370 nan 0.000 0.497 100 I N 1.381 121.883 120.570 -0.112 0.000 2.752 100 I HA -0.187 3.982 4.170 -0.001 0.000 0.289 100 I C 0.603 176.639 176.117 -0.137 0.000 1.197 100 I CA 0.793 61.990 61.300 -0.172 0.000 1.432 100 I CB 0.128 37.940 38.000 -0.313 0.000 1.359 100 I HN 0.089 nan 8.210 nan 0.000 0.571 101 K N 2.803 123.104 120.400 -0.165 0.000 3.606 101 K HA -0.211 4.109 4.320 -0.001 0.000 0.289 101 K C -0.102 176.547 176.600 0.081 0.000 1.221 101 K CA 1.131 57.347 56.287 -0.119 0.000 1.028 101 K CB -1.131 31.291 32.500 -0.129 0.000 1.299 101 K HN 0.620 nan 8.250 nan 0.000 0.454 102 K N 2.231 122.674 120.400 0.070 0.000 2.295 102 K HA 0.086 4.405 4.320 -0.001 0.000 0.270 102 K C 0.277 176.953 176.600 0.127 0.000 1.011 102 K CA -0.194 56.139 56.287 0.078 0.000 0.953 102 K CB 0.640 33.157 32.500 0.029 0.000 0.956 102 K HN 0.123 nan 8.250 nan 0.000 0.477 103 E N 0.549 120.781 120.200 0.053 0.000 2.529 103 E HA -0.125 4.224 4.350 -0.001 0.000 0.259 103 E C 0.739 177.325 176.600 -0.022 0.000 0.966 103 E CA 0.984 57.374 56.400 -0.018 0.000 0.937 103 E CB 0.094 29.775 29.700 -0.031 0.000 0.923 103 E HN 0.766 nan 8.360 nan 0.000 0.468 104 G N 2.703 111.459 108.800 -0.074 0.000 2.212 104 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.266 104 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.266 104 G C 0.483 175.397 174.900 0.024 0.000 0.978 104 G CA 0.207 45.286 45.100 -0.034 0.000 0.632 104 G HN 0.873 nan 8.290 nan 0.000 0.537 105 G N -0.259 108.593 108.800 0.087 0.000 2.537 105 G HA2 0.722 4.682 3.960 -0.001 0.000 0.297 105 G HA3 0.722 4.682 3.960 -0.001 0.000 0.297 105 G C 0.691 175.735 174.900 0.241 0.000 1.310 105 G CA -0.453 44.718 45.100 0.118 0.000 1.027 105 G HN 1.296 nan 8.290 nan 0.000 0.505 106 I N -1.471 119.160 120.570 0.102 0.000 3.060 106 I HA 0.431 4.600 4.170 -0.001 0.000 0.285 106 I C 0.659 176.691 176.117 -0.141 0.000 1.190 106 I CA -0.483 60.846 61.300 0.047 0.000 1.363 106 I CB 1.032 39.016 38.000 -0.026 0.000 1.396 106 I HN 0.405 nan 8.210 nan 0.000 0.607 107 S N 2.725 118.289 115.700 -0.227 0.000 2.584 107 S HA 0.355 4.825 4.470 -0.001 0.000 0.273 107 S C 1.243 175.630 174.600 -0.356 0.000 1.311 107 S CA -0.076 57.825 58.200 -0.499 0.000 1.034 107 S CB 1.131 64.232 63.200 -0.165 0.000 0.939 107 S HN 0.931 nan 8.310 nan 0.000 0.513 108 G N 2.697 111.200 108.800 -0.495 0.000 2.498 108 G HA2 0.076 4.036 3.960 -0.001 0.000 0.219 108 G HA3 0.076 4.036 3.960 -0.001 0.000 0.219 108 G C 0.087 174.632 174.900 -0.592 0.000 1.119 108 G CA 0.450 45.222 45.100 -0.547 0.000 0.766 108 G HN 0.602 nan 8.290 nan 0.000 0.552 109 F N -0.353 119.638 119.950 0.068 0.000 2.594 109 F HA 0.472 4.999 4.527 -0.001 0.000 0.335 109 F C 0.857 176.706 175.800 0.082 0.000 1.058 109 F CA -1.067 56.992 58.000 0.098 0.000 0.981 109 F CB 0.727 39.794 39.000 0.112 0.000 1.289 109 F HN -0.134 nan 8.300 nan 0.000 0.490 110 T N -0.425 114.310 114.554 0.301 0.000 2.940 110 T HA 0.293 4.642 4.350 -0.001 0.000 0.309 110 T C -0.675 174.155 174.700 0.217 0.000 1.056 110 T CA -0.491 61.753 62.100 0.240 0.000 1.137 110 T CB 0.904 69.918 68.868 0.244 0.000 0.976 110 T HN 0.701 nan 8.240 nan 0.000 0.547 111 K N 2.548 123.056 120.400 0.180 0.000 2.535 111 K HA 0.492 4.811 4.320 -0.001 0.000 0.250 111 K C 0.508 177.180 176.600 0.121 0.000 0.948 111 K CA -0.869 55.503 56.287 0.142 0.000 0.796 111 K CB 1.775 34.358 32.500 0.139 0.000 1.216 111 K HN 0.366 nan 8.250 nan 0.000 0.432 112 V N 2.043 122.012 119.914 0.092 0.000 2.343 112 V HA -0.223 3.896 4.120 -0.001 0.000 0.247 112 V C 1.703 177.836 176.094 0.065 0.000 1.051 112 V CA 2.230 64.575 62.300 0.074 0.000 1.036 112 V CB -0.279 31.573 31.823 0.049 0.000 0.654 112 V HN 0.872 nan 8.190 nan 0.000 0.451 113 S N -0.786 114.952 115.700 0.064 0.000 2.402 113 S HA -0.286 4.184 4.470 -0.001 0.000 0.233 113 S C 1.998 176.638 174.600 0.065 0.000 1.030 113 S CA 1.932 60.168 58.200 0.060 0.000 1.003 113 S CB -0.262 62.979 63.200 0.067 0.000 0.813 113 S HN 0.742 nan 8.310 nan 0.000 0.477 114 E N 0.274 120.524 120.200 0.083 0.000 2.112 114 E HA 0.011 4.361 4.350 -0.001 0.000 0.190 114 E C 0.545 177.192 176.600 0.078 0.000 0.979 114 E CA 0.508 56.958 56.400 0.085 0.000 0.814 114 E CB 0.280 30.039 29.700 0.099 0.000 0.762 114 E HN 0.359 nan 8.360 nan 0.000 0.460 115 S N -1.337 114.417 115.700 0.091 0.000 2.537 115 S HA 0.134 4.603 4.470 -0.001 0.000 0.271 115 S C -0.017 174.620 174.600 0.062 0.000 1.148 115 S CA -0.693 57.563 58.200 0.093 0.000 0.868 115 S CB 1.594 64.889 63.200 0.158 0.000 1.115 115 S HN 0.160 nan 8.310 nan 0.000 0.461 116 E N 1.229 121.409 120.200 -0.033 0.000 2.209 116 E HA -0.161 4.188 4.350 -0.001 0.000 0.196 116 E C 0.685 177.222 176.600 -0.106 0.000 0.993 116 E CA 1.422 57.748 56.400 -0.123 0.000 0.819 116 E CB -0.228 29.312 29.700 -0.266 0.000 0.745 116 E HN 0.767 nan 8.360 nan 0.000 0.477 117 H N -0.085 119.062 119.070 0.128 0.000 2.551 117 H HA 0.038 4.593 4.556 -0.001 0.000 0.266 117 H C -0.178 175.357 175.328 0.345 0.000 0.977 117 H CA 0.149 56.336 56.048 0.232 0.000 1.163 117 H CB 0.263 30.159 29.762 0.223 0.000 1.381 117 H HN -0.058 nan 8.280 nan 0.000 0.581 118 D N 0.335 120.945 120.400 0.349 0.000 2.411 118 D HA 0.192 4.831 4.640 -0.001 0.000 0.225 118 D C 0.814 177.222 176.300 0.181 0.000 1.156 118 D CA -0.046 54.141 54.000 0.310 0.000 0.874 118 D CB 1.192 42.150 40.800 0.264 0.000 1.034 118 D HN 0.294 nan 8.370 nan 0.000 0.502 119 A N 3.567 126.479 122.820 0.154 0.000 1.898 119 A HA -0.003 4.316 4.320 -0.001 0.000 0.216 119 A C 1.062 178.685 177.584 0.066 0.000 1.181 119 A CA 0.921 53.006 52.037 0.080 0.000 0.620 119 A CB -0.335 18.691 19.000 0.043 0.000 0.819 119 A HN 0.672 nan 8.150 nan 0.000 0.442 120 I N -4.881 115.739 120.570 0.083 0.000 2.769 120 I HA 0.452 4.622 4.170 -0.001 0.000 0.298 120 I C -1.079 175.086 176.117 0.081 0.000 1.128 120 I CA -0.714 60.624 61.300 0.063 0.000 1.031 120 I CB 2.122 40.148 38.000 0.044 0.000 1.235 120 I HN -0.220 nan 8.210 nan 0.000 0.423 121 T N 5.343 119.927 114.554 0.050 0.000 2.738 121 T HA 0.462 4.812 4.350 -0.001 0.000 0.294 121 T C 0.133 174.843 174.700 0.016 0.000 0.914 121 T CA -0.288 61.840 62.100 0.047 0.000 1.052 121 T CB 0.303 69.176 68.868 0.008 0.000 0.897 121 T HN 0.514 nan 8.240 nan 0.000 0.522 122 V N 1.313 121.253 119.914 0.043 0.000 3.046 122 V HA 1.074 5.194 4.120 -0.001 0.000 0.316 122 V C 0.616 176.608 176.094 -0.171 0.000 1.104 122 V CA -0.382 61.908 62.300 -0.018 0.000 1.006 122 V CB 1.816 33.666 31.823 0.046 0.000 1.058 122 V HN 0.776 nan 8.190 nan 0.000 0.440 123 G N -0.656 108.002 108.800 -0.237 0.000 4.212 123 G HA2 0.120 4.080 3.960 -0.001 0.000 0.199 123 G HA3 0.120 4.080 3.960 -0.001 0.000 0.199 123 G C 0.139 175.004 174.900 -0.057 0.000 0.986 123 G CA -0.281 44.539 45.100 -0.468 0.000 0.985 123 G HN 0.829 nan 8.290 nan 0.000 0.378 124 H N 1.481 120.465 119.070 -0.144 0.000 2.815 124 H HA 0.497 5.052 4.556 -0.001 0.000 0.350 124 H C 0.713 175.971 175.328 -0.116 0.000 1.080 124 H CA 0.000 56.000 56.048 -0.080 0.000 1.433 124 H CB 1.496 31.238 29.762 -0.034 0.000 1.432 124 H HN 0.478 nan 8.280 nan 0.000 0.592 125 A N 1.855 124.627 122.820 -0.078 0.000 2.304 125 A HA 0.293 4.612 4.320 -0.001 0.000 0.271 125 A C 0.848 178.408 177.584 -0.039 0.000 1.091 125 A CA 0.049 52.036 52.037 -0.083 0.000 0.812 125 A CB 0.373 19.279 19.000 -0.157 0.000 1.056 125 A HN 0.893 nan 8.150 nan 0.000 0.489 126 S N -1.368 114.321 115.700 -0.018 0.000 3.315 126 S HA -0.189 4.281 4.470 -0.001 0.000 0.283 126 S C 0.877 175.478 174.600 0.001 0.000 1.279 126 S CA 1.493 59.688 58.200 -0.007 0.000 0.984 126 S CB -2.265 60.924 63.200 -0.019 0.000 1.184 126 S HN 1.845 nan 8.310 nan 0.000 0.653 127 T N -1.622 112.937 114.554 0.007 0.000 3.069 127 T HA 0.234 4.584 4.350 -0.001 0.000 0.252 127 T C 1.793 176.496 174.700 0.004 0.000 1.053 127 T CA 0.815 62.919 62.100 0.006 0.000 0.964 127 T CB 0.077 68.949 68.868 0.007 0.000 1.005 127 T HN 0.637 nan 8.240 nan 0.000 0.532 128 S N 2.397 118.100 115.700 0.005 0.000 2.368 128 S HA -0.000 4.469 4.470 -0.001 0.000 0.224 128 S C 1.970 176.560 174.600 -0.017 0.000 1.029 128 S CA 0.735 58.932 58.200 -0.005 0.000 0.988 128 S CB -0.944 62.251 63.200 -0.008 0.000 0.838 128 S HN 0.527 nan 8.310 nan 0.000 0.462 129 L N 2.009 123.221 121.223 -0.018 0.000 2.072 129 L HA -0.051 4.288 4.340 -0.001 0.000 0.205 129 L C 3.250 180.109 176.870 -0.018 0.000 1.079 129 L CA 1.588 56.413 54.840 -0.025 0.000 0.752 129 L CB -1.724 40.319 42.059 -0.026 0.000 0.906 129 L HN 0.560 nan 8.230 nan 0.000 0.436 130 T N -3.146 111.402 114.554 -0.011 0.000 2.788 130 T HA -0.201 4.148 4.350 -0.001 0.000 0.268 130 T C 1.562 176.258 174.700 -0.006 0.000 1.044 130 T CA 1.845 63.940 62.100 -0.008 0.000 1.139 130 T CB -0.608 68.257 68.868 -0.006 0.000 0.867 130 T HN 0.359 nan 8.240 nan 0.000 0.454 131 N N 1.340 120.037 118.700 -0.005 0.000 2.106 131 N HA 0.103 4.843 4.740 -0.001 0.000 0.188 131 N C 2.348 177.860 175.510 0.003 0.000 1.029 131 N CA 0.881 53.931 53.050 0.000 0.000 0.848 131 N CB -0.327 38.162 38.487 0.002 0.000 1.007 131 N HN 0.517 nan 8.380 nan 0.000 0.423 132 A N 1.090 123.906 122.820 -0.007 0.000 1.908 132 A HA -0.162 4.157 4.320 -0.001 0.000 0.218 132 A C 2.107 179.687 177.584 -0.006 0.000 1.181 132 A CA 1.142 53.175 52.037 -0.007 0.000 0.627 132 A CB -0.790 18.194 19.000 -0.028 0.000 0.818 132 A HN 0.325 nan 8.150 nan 0.000 0.445 133 L N 0.145 121.360 121.223 -0.013 0.000 2.017 133 L HA -0.031 4.308 4.340 -0.001 0.000 0.208 133 L C 2.396 179.260 176.870 -0.009 0.000 1.073 133 L CA 2.484 57.315 54.840 -0.016 0.000 0.745 133 L CB -1.144 40.905 42.059 -0.017 0.000 0.894 133 L HN 0.293 nan 8.230 nan 0.000 0.432 134 G N -0.554 108.245 108.800 -0.001 0.000 2.469 134 G HA2 -0.329 3.631 3.960 -0.001 0.000 0.219 134 G HA3 -0.329 3.631 3.960 -0.001 0.000 0.219 134 G C 1.525 176.436 174.900 0.019 0.000 1.150 134 G CA 1.360 46.464 45.100 0.006 0.000 0.763 134 G HN 0.464 nan 8.290 nan 0.000 0.561 135 M N 0.536 120.156 119.600 0.034 0.000 2.156 135 M HA 0.135 4.614 4.480 -0.001 0.000 0.264 135 M C 3.070 179.391 176.300 0.036 0.000 1.067 135 M CA 1.156 56.502 55.300 0.078 0.000 1.131 135 M CB -0.152 32.523 32.600 0.127 0.000 1.368 135 M HN 0.277 nan 8.290 nan 0.000 0.416 136 A N 0.734 123.545 122.820 -0.016 0.000 1.917 136 A HA -0.167 4.152 4.320 -0.001 0.000 0.219 136 A C 2.114 179.644 177.584 -0.091 0.000 1.182 136 A CA 1.602 53.587 52.037 -0.086 0.000 0.633 136 A CB -1.045 17.916 19.000 -0.065 0.000 0.819 136 A HN 0.463 nan 8.150 nan 0.000 0.448 137 L N -1.151 120.043 121.223 -0.048 0.000 2.056 137 L HA -0.146 4.193 4.340 -0.001 0.000 0.207 137 L C 3.106 179.954 176.870 -0.036 0.000 1.078 137 L CA 0.957 55.772 54.840 -0.041 0.000 0.749 137 L CB -0.587 41.458 42.059 -0.024 0.000 0.901 137 L HN 0.447 nan 8.230 nan 0.000 0.433 138 A N -0.078 122.734 122.820 -0.013 0.000 1.902 138 A HA -0.218 4.101 4.320 -0.001 0.000 0.217 138 A C 2.468 180.051 177.584 -0.001 0.000 1.181 138 A CA 1.380 53.424 52.037 0.011 0.000 0.623 138 A CB -0.565 18.464 19.000 0.049 0.000 0.818 138 A HN 0.268 nan 8.150 nan 0.000 0.443 139 R N -0.003 120.468 120.500 -0.049 0.000 2.094 139 R HA -0.211 4.128 4.340 -0.001 0.000 0.239 139 R C 1.489 177.694 176.300 -0.159 0.000 1.137 139 R CA 2.325 58.312 56.100 -0.187 0.000 0.943 139 R CB -0.687 29.255 30.300 -0.596 0.000 0.850 139 R HN 0.477 nan 8.270 nan 0.000 0.433 140 D N 0.135 120.447 120.400 -0.147 0.000 2.104 140 D HA -0.130 4.509 4.640 -0.001 0.000 0.194 140 D C 1.780 178.042 176.300 -0.064 0.000 0.994 140 D CA 1.641 55.577 54.000 -0.108 0.000 0.830 140 D CB -0.422 40.322 40.800 -0.092 0.000 0.959 140 D HN 0.388 nan 8.370 nan 0.000 0.452 141 A N 0.531 123.324 122.820 -0.044 0.000 1.940 141 A HA -0.248 4.072 4.320 -0.001 0.000 0.219 141 A C 2.095 179.669 177.584 -0.017 0.000 1.176 141 A CA 1.626 53.649 52.037 -0.024 0.000 0.631 141 A CB -0.656 18.335 19.000 -0.014 0.000 0.814 141 A HN 0.231 nan 8.150 nan 0.000 0.446 142 Q N -2.204 117.589 119.800 -0.012 0.000 2.378 142 Q HA 0.208 4.547 4.340 -0.001 0.000 0.205 142 Q C 1.272 177.270 176.000 -0.004 0.000 0.954 142 Q CA 0.646 56.452 55.803 0.005 0.000 0.901 142 Q CB 0.008 28.768 28.738 0.037 0.000 0.981 142 Q HN 0.932 nan 8.270 nan 0.000 0.483 143 G N 0.743 109.526 108.800 -0.028 0.000 2.157 143 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.248 143 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.248 143 G C -0.031 174.846 174.900 -0.038 0.000 0.979 143 G CA 0.246 45.326 45.100 -0.034 0.000 0.650 143 G HN 0.215 nan 8.290 nan 0.000 0.529 144 K N 0.371 120.747 120.400 -0.040 0.000 2.155 144 K HA 0.554 4.874 4.320 -0.001 0.000 0.237 144 K C -0.069 176.443 176.600 -0.147 0.000 1.040 144 K CA 0.232 56.503 56.287 -0.027 0.000 0.912 144 K CB 0.414 32.976 32.500 0.104 0.000 1.137 144 K HN 0.475 nan 8.250 nan 0.000 0.498 145 D N -0.661 119.650 120.400 -0.148 0.000 2.937 145 D HA 0.466 5.105 4.640 -0.001 0.000 0.215 145 D C -1.204 174.973 176.300 -0.206 0.000 1.274 145 D CA -0.791 53.032 54.000 -0.295 0.000 0.869 145 D CB 0.575 41.260 40.800 -0.192 0.000 1.675 145 D HN 0.432 nan 8.370 nan 0.000 0.538 146 F N -1.781 118.035 119.950 -0.224 0.000 2.708 146 F HA 0.482 5.008 4.527 -0.001 0.000 0.309 146 F C -1.069 174.559 175.800 -0.287 0.000 1.120 146 F CA -1.392 56.420 58.000 -0.313 0.000 0.978 146 F CB 0.783 39.689 39.000 -0.158 0.000 1.283 146 F HN 0.293 nan 8.300 nan 0.000 0.439 147 H N 0.605 119.805 119.070 0.218 0.000 2.690 147 H HA 0.641 5.196 4.556 -0.001 0.000 0.365 147 H C -0.750 174.668 175.328 0.149 0.000 1.142 147 H CA -0.491 55.615 56.048 0.096 0.000 1.417 147 H CB 1.496 31.282 29.762 0.040 0.000 1.446 147 H HN 0.542 nan 8.280 nan 0.000 0.599 148 V N 1.777 121.797 119.914 0.178 0.000 2.419 148 V HA 0.503 4.623 4.120 -0.001 0.000 0.287 148 V C -0.377 175.730 176.094 0.022 0.000 1.017 148 V CA -0.731 61.630 62.300 0.102 0.000 0.844 148 V CB 1.118 32.980 31.823 0.063 0.000 1.011 148 V HN 0.926 nan 8.190 nan 0.000 0.429 149 A N 3.877 126.681 122.820 -0.027 0.000 2.330 149 A HA 0.979 5.298 4.320 -0.001 0.000 0.327 149 A C -0.046 177.443 177.584 -0.159 0.000 1.155 149 A CA -0.306 51.672 52.037 -0.098 0.000 0.803 149 A CB 1.544 20.469 19.000 -0.126 0.000 1.208 149 A HN 1.324 nan 8.150 nan 0.000 0.477 150 A N 1.821 124.549 122.820 -0.154 0.000 2.343 150 A HA 0.646 4.966 4.320 -0.001 0.000 0.316 150 A C -0.831 176.646 177.584 -0.178 0.000 1.104 150 A CA -0.440 51.492 52.037 -0.175 0.000 0.768 150 A CB 1.158 20.094 19.000 -0.108 0.000 1.213 150 A HN 1.051 nan 8.150 nan 0.000 0.456 151 V N 4.051 123.829 119.914 -0.226 0.000 2.333 151 V HA 0.419 4.538 4.120 -0.001 0.000 0.274 151 V C -0.200 175.884 176.094 -0.016 0.000 1.028 151 V CA -0.139 62.090 62.300 -0.119 0.000 0.851 151 V CB 0.798 32.559 31.823 -0.105 0.000 1.000 151 V HN 0.762 nan 8.190 nan 0.000 0.456 152 I N 3.849 124.410 120.570 -0.015 0.000 2.466 152 I HA 0.760 4.930 4.170 -0.001 0.000 0.289 152 I C 0.730 176.850 176.117 0.006 0.000 1.026 152 I CA -0.313 60.993 61.300 0.011 0.000 1.078 152 I CB 1.532 39.525 38.000 -0.011 0.000 1.249 152 I HN 0.686 nan 8.210 nan 0.000 0.429 153 G N 4.657 113.483 108.800 0.042 0.000 2.539 153 G HA2 0.076 4.036 3.960 -0.001 0.000 0.258 153 G HA3 0.076 4.036 3.960 -0.001 0.000 0.258 153 G C 0.801 175.690 174.900 -0.018 0.000 1.202 153 G CA 0.027 45.139 45.100 0.020 0.000 0.851 153 G HN 0.816 nan 8.290 nan 0.000 0.556 154 D N 0.713 121.053 120.400 -0.100 0.000 2.190 154 D HA -0.145 4.494 4.640 -0.001 0.000 0.200 154 D C 2.078 178.438 176.300 0.100 0.000 0.992 154 D CA 1.448 55.366 54.000 -0.137 0.000 0.854 154 D CB -0.694 39.866 40.800 -0.400 0.000 0.936 154 D HN 0.468 nan 8.370 nan 0.000 0.462 155 G N 0.512 109.359 108.800 0.077 0.000 2.404 155 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.215 155 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.215 155 G C 1.848 176.774 174.900 0.043 0.000 1.174 155 G CA 1.005 46.149 45.100 0.073 0.000 0.780 155 G HN 0.361 nan 8.290 nan 0.000 0.537 156 S N 0.449 116.167 115.700 0.031 0.000 2.419 156 S HA -0.083 4.386 4.470 -0.001 0.000 0.233 156 S C 2.051 176.672 174.600 0.036 0.000 1.016 156 S CA 0.757 58.964 58.200 0.012 0.000 0.974 156 S CB -0.192 63.019 63.200 0.018 0.000 0.786 156 S HN 0.210 nan 8.310 nan 0.000 0.492 157 L N 2.097 123.367 121.223 0.078 0.000 2.353 157 L HA -0.040 4.299 4.340 -0.001 0.000 0.220 157 L C 1.912 178.849 176.870 0.112 0.000 1.133 157 L CA 1.432 56.343 54.840 0.118 0.000 0.798 157 L CB -1.079 41.101 42.059 0.202 0.000 0.922 157 L HN 0.213 nan 8.230 nan 0.000 0.445 158 T N -0.736 113.870 114.554 0.088 0.000 3.035 158 T HA 0.076 4.425 4.350 -0.001 0.000 0.268 158 T C 1.017 175.727 174.700 0.016 0.000 1.109 158 T CA 0.599 62.730 62.100 0.052 0.000 1.119 158 T CB -0.605 68.285 68.868 0.037 0.000 0.900 158 T HN 0.503 nan 8.240 nan 0.000 0.503 159 G N 0.228 109.031 108.800 0.005 0.000 2.442 159 G HA2 0.432 4.391 3.960 -0.001 0.000 0.249 159 G HA3 0.432 4.391 3.960 -0.001 0.000 0.249 159 G C 1.195 176.095 174.900 -0.001 0.000 1.263 159 G CA -0.225 44.866 45.100 -0.015 0.000 0.846 159 G HN 0.225 nan 8.290 nan 0.000 0.555 160 G N 1.545 110.340 108.800 -0.008 0.000 2.469 160 G HA2 -0.314 3.645 3.960 -0.001 0.000 0.220 160 G HA3 -0.314 3.645 3.960 -0.001 0.000 0.220 160 G C 1.646 176.547 174.900 0.002 0.000 1.136 160 G CA 1.158 46.256 45.100 -0.003 0.000 0.759 160 G HN 0.562 nan 8.290 nan 0.000 0.562 161 M N 0.374 119.973 119.600 -0.002 0.000 2.132 161 M HA 0.070 4.549 4.480 -0.001 0.000 0.263 161 M C 2.877 179.181 176.300 0.006 0.000 1.065 161 M CA 1.492 56.792 55.300 0.000 0.000 1.122 161 M CB -0.045 32.554 32.600 -0.002 0.000 1.365 161 M HN 0.319 nan 8.290 nan 0.000 0.411 162 A N 0.212 123.039 122.820 0.012 0.000 1.873 162 A HA -0.119 4.200 4.320 -0.001 0.000 0.215 162 A C 1.968 179.574 177.584 0.037 0.000 1.186 162 A CA 1.264 53.314 52.037 0.022 0.000 0.616 162 A CB -0.880 18.140 19.000 0.033 0.000 0.823 162 A HN 0.521 nan 8.150 nan 0.000 0.442 163 L N -0.888 120.362 121.223 0.044 0.000 2.056 163 L HA -0.153 4.187 4.340 -0.001 0.000 0.207 163 L C 3.097 179.992 176.870 0.042 0.000 1.078 163 L CA 1.003 55.879 54.840 0.060 0.000 0.749 163 L CB -0.516 41.572 42.059 0.049 0.000 0.901 163 L HN 0.450 nan 8.230 nan 0.000 0.433 164 A N 0.011 122.844 122.820 0.023 0.000 1.898 164 A HA -0.137 4.183 4.320 -0.001 0.000 0.216 164 A C 2.539 180.131 177.584 0.013 0.000 1.181 164 A CA 1.565 53.611 52.037 0.014 0.000 0.620 164 A CB -0.647 18.356 19.000 0.004 0.000 0.819 164 A HN 0.389 nan 8.150 nan 0.000 0.442 165 A N 0.140 122.966 122.820 0.010 0.000 1.865 165 A HA -0.146 4.174 4.320 -0.001 0.000 0.217 165 A C 2.154 179.740 177.584 0.003 0.000 1.191 165 A CA 1.652 53.690 52.037 0.003 0.000 0.623 165 A CB -0.841 18.158 19.000 -0.002 0.000 0.826 165 A HN 0.490 nan 8.150 nan 0.000 0.444 166 L N -0.503 120.725 121.223 0.010 0.000 2.051 166 L HA -0.301 4.039 4.340 -0.001 0.000 0.214 166 L C 2.556 179.438 176.870 0.020 0.000 1.076 166 L CA 1.971 56.816 54.840 0.008 0.000 0.758 166 L CB -0.720 41.364 42.059 0.041 0.000 0.890 166 L HN 0.595 nan 8.230 nan 0.000 0.433 167 N N -0.737 117.981 118.700 0.031 0.000 2.166 167 N HA -0.156 4.584 4.740 -0.001 0.000 0.186 167 N C 1.657 177.174 175.510 0.013 0.000 1.019 167 N CA 1.834 54.900 53.050 0.027 0.000 0.856 167 N CB 0.014 38.516 38.487 0.025 0.000 0.993 167 N HN 0.156 nan 8.380 nan 0.000 0.426 168 T N 0.186 114.744 114.554 0.006 0.000 2.812 168 T HA 0.057 4.406 4.350 -0.001 0.000 0.264 168 T C 1.891 176.587 174.700 -0.005 0.000 1.042 168 T CA 0.774 62.874 62.100 -0.001 0.000 1.140 168 T CB -0.155 68.711 68.868 -0.003 0.000 0.870 168 T HN 0.174 nan 8.240 nan 0.000 0.445 169 I N 1.346 121.911 120.570 -0.008 0.000 2.127 169 I HA -0.168 4.002 4.170 -0.001 0.000 0.241 169 I C 2.842 178.951 176.117 -0.013 0.000 1.075 169 I CA 1.508 62.798 61.300 -0.017 0.000 1.334 169 I CB -0.639 37.345 38.000 -0.028 0.000 1.040 169 I HN 0.319 nan 8.210 nan 0.000 0.405 170 G N -0.190 108.608 108.800 -0.004 0.000 2.440 170 G HA2 -0.336 3.624 3.960 -0.001 0.000 0.218 170 G HA3 -0.336 3.624 3.960 -0.001 0.000 0.218 170 G C 1.339 176.241 174.900 0.003 0.000 1.154 170 G CA 1.190 46.292 45.100 0.004 0.000 0.767 170 G HN 0.335 nan 8.290 nan 0.000 0.552 171 D N 0.292 120.693 120.400 0.002 0.000 2.087 171 D HA -0.115 4.524 4.640 -0.001 0.000 0.192 171 D C 2.577 178.874 176.300 -0.006 0.000 0.993 171 D CA 0.945 54.944 54.000 -0.000 0.000 0.828 171 D CB -0.165 40.634 40.800 -0.001 0.000 0.968 171 D HN 0.121 nan 8.370 nan 0.000 0.448 172 M N -0.120 119.474 119.600 -0.010 0.000 2.279 172 M HA 0.079 4.558 4.480 -0.001 0.000 0.264 172 M C 1.603 177.893 176.300 -0.018 0.000 1.062 172 M CA 1.216 56.507 55.300 -0.015 0.000 1.099 172 M CB -1.610 30.979 32.600 -0.019 0.000 1.394 172 M HN 0.227 nan 8.290 nan 0.000 0.426 173 G N 2.546 111.336 108.800 -0.016 0.000 2.393 173 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.299 173 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.299 173 G C 0.016 174.900 174.900 -0.026 0.000 0.990 173 G CA 0.130 45.220 45.100 -0.017 0.000 1.118 173 G HN 0.304 nan 8.290 nan 0.000 0.513 174 R N -0.441 120.039 120.500 -0.033 0.000 2.596 174 R HA 0.435 4.775 4.340 -0.001 0.000 0.267 174 R C 0.739 177.012 176.300 -0.045 0.000 1.026 174 R CA -1.046 55.028 56.100 -0.044 0.000 1.087 174 R CB 0.566 30.834 30.300 -0.053 0.000 1.132 174 R HN 0.347 nan 8.270 nan 0.000 0.531 175 K N 1.486 121.854 120.400 -0.053 0.000 2.412 175 K HA 0.160 4.479 4.320 -0.001 0.000 0.284 175 K C -0.202 176.374 176.600 -0.040 0.000 1.046 175 K CA 0.819 57.081 56.287 -0.041 0.000 0.999 175 K CB 0.341 32.816 32.500 -0.041 0.000 0.941 175 K HN 0.340 nan 8.250 nan 0.000 0.474 176 M N 4.126 123.708 119.600 -0.030 0.000 2.346 176 M HA 0.170 4.649 4.480 -0.001 0.000 0.287 176 M C -1.842 174.431 176.300 -0.045 0.000 1.100 176 M CA -0.818 54.462 55.300 -0.035 0.000 0.950 176 M CB 1.663 34.236 32.600 -0.046 0.000 1.815 176 M HN 0.370 nan 8.290 nan 0.000 0.497 177 L N 4.696 125.889 121.223 -0.050 0.000 2.305 177 L HA 0.677 5.016 4.340 -0.001 0.000 0.284 177 L C -1.376 175.441 176.870 -0.088 0.000 1.013 177 L CA -0.071 54.725 54.840 -0.074 0.000 0.819 177 L CB 1.197 43.206 42.059 -0.084 0.000 1.227 177 L HN 0.605 nan 8.230 nan 0.000 0.417 178 I N 5.943 126.452 120.570 -0.102 0.000 2.382 178 I HA 0.305 4.474 4.170 -0.001 0.000 0.285 178 I C -0.659 175.389 176.117 -0.115 0.000 1.007 178 I CA -0.781 60.451 61.300 -0.114 0.000 1.142 178 I CB 1.656 39.575 38.000 -0.135 0.000 1.289 178 I HN 0.191 nan 8.210 nan 0.000 0.453 179 V N 7.112 126.964 119.914 -0.102 0.000 2.389 179 V HA 0.154 4.273 4.120 -0.001 0.000 0.264 179 V C 0.046 176.096 176.094 -0.073 0.000 1.049 179 V CA -0.494 61.758 62.300 -0.081 0.000 0.932 179 V CB 1.301 33.083 31.823 -0.069 0.000 1.011 179 V HN 0.424 nan 8.190 nan 0.000 0.475 180 L N 5.844 127.024 121.223 -0.071 0.000 2.283 180 L HA 0.424 4.763 4.340 -0.001 0.000 0.287 180 L C 0.281 177.115 176.870 -0.060 0.000 1.073 180 L CA 0.297 55.083 54.840 -0.091 0.000 0.822 180 L CB 0.610 42.572 42.059 -0.161 0.000 1.186 180 L HN 0.624 nan 8.230 nan 0.000 0.436 181 N N 3.526 122.189 118.700 -0.061 0.000 2.521 181 N HA 0.109 4.848 4.740 -0.001 0.000 0.236 181 N C -1.254 174.205 175.510 -0.085 0.000 1.067 181 N CA -0.258 52.768 53.050 -0.040 0.000 0.939 181 N CB 0.191 38.678 38.487 0.001 0.000 1.201 181 N HN 0.563 nan 8.380 nan 0.000 0.511 182 D N 2.177 122.521 120.400 -0.094 0.000 2.329 182 D HA 0.297 4.937 4.640 -0.001 0.000 0.232 182 D C 0.136 176.401 176.300 -0.059 0.000 1.088 182 D CA -0.254 53.638 54.000 -0.180 0.000 0.835 182 D CB 0.648 41.320 40.800 -0.213 0.000 1.078 182 D HN 0.302 nan 8.370 nan 0.000 0.495 183 N N 2.474 121.156 118.700 -0.030 0.000 2.294 183 N HA -0.030 4.709 4.740 -0.001 0.000 0.186 183 N C -0.022 175.538 175.510 0.083 0.000 1.107 183 N CA 0.196 53.273 53.050 0.044 0.000 0.884 183 N CB 0.252 38.780 38.487 0.069 0.000 1.030 183 N HN 0.611 nan 8.380 nan 0.000 0.482 184 E N -0.299 119.963 120.200 0.104 0.000 2.805 184 E HA -0.233 4.117 4.350 -0.001 0.000 0.266 184 E C -0.482 176.206 176.600 0.146 0.000 1.092 184 E CA 0.746 57.254 56.400 0.180 0.000 0.781 184 E CB -1.512 28.303 29.700 0.192 0.000 1.379 184 E HN 0.253 nan 8.360 nan 0.000 0.433 185 M N 0.327 119.999 119.600 0.120 0.000 2.321 185 M HA 0.376 4.855 4.480 -0.001 0.000 0.315 185 M C 0.605 176.967 176.300 0.102 0.000 1.052 185 M CA -0.523 54.843 55.300 0.112 0.000 0.936 185 M CB 1.811 34.482 32.600 0.119 0.000 1.639 185 M HN 0.017 nan 8.290 nan 0.000 0.433 186 S N 2.225 117.970 115.700 0.076 0.000 3.530 186 S HA 0.498 4.967 4.470 -0.001 0.000 0.180 186 S C 1.372 175.959 174.600 -0.021 0.000 0.889 186 S CA -0.187 58.035 58.200 0.036 0.000 1.478 186 S CB 0.394 63.601 63.200 0.011 0.000 0.612 186 S HN 0.648 nan 8.310 nan 0.000 0.615 187 I N 1.233 121.726 120.570 -0.128 0.000 2.594 187 I HA 0.047 4.217 4.170 -0.001 0.000 0.237 187 I C 1.444 177.513 176.117 -0.080 0.000 1.071 187 I CA 0.732 61.870 61.300 -0.269 0.000 1.427 187 I CB -0.523 37.233 38.000 -0.405 0.000 1.218 187 I HN 0.455 nan 8.210 nan 0.000 0.444 188 S N 1.437 117.118 115.700 -0.032 0.000 2.767 188 S HA 0.089 4.558 4.470 -0.001 0.000 0.253 188 S C 0.250 174.886 174.600 0.059 0.000 1.082 188 S CA -0.352 57.867 58.200 0.032 0.000 1.148 188 S CB -0.837 62.398 63.200 0.059 0.000 0.808 188 S HN 0.544 nan 8.310 nan 0.000 0.466 189 E N 0.885 121.120 120.200 0.058 0.000 7.516 189 E HA -0.250 4.099 4.350 -0.001 0.000 0.417 189 E C -0.957 175.696 176.600 0.087 0.000 0.487 189 E CA 0.137 56.587 56.400 0.082 0.000 0.890 189 E CB -1.317 28.436 29.700 0.089 0.000 0.951 189 E HN 0.750 nan 8.360 nan 0.000 0.265 190 N N 1.304 120.066 118.700 0.104 0.000 2.273 190 N HA 0.194 4.933 4.740 -0.001 0.000 0.227 190 N C 0.225 175.793 175.510 0.096 0.000 1.292 190 N CA 0.608 53.727 53.050 0.114 0.000 0.875 190 N CB 0.532 39.131 38.487 0.186 0.000 1.105 190 N HN 0.409 nan 8.380 nan 0.000 0.434 191 V N -2.445 117.513 119.914 0.074 0.000 3.160 191 V HA 0.860 4.979 4.120 -0.001 0.000 0.310 191 V C 0.630 176.728 176.094 0.007 0.000 1.181 191 V CA -0.228 62.097 62.300 0.043 0.000 1.047 191 V CB 1.307 33.154 31.823 0.041 0.000 1.068 191 V HN 0.896 nan 8.190 nan 0.000 0.441 192 G N -0.417 108.370 108.800 -0.022 0.000 2.148 192 G HA2 0.389 4.348 3.960 -0.001 0.000 0.120 192 G HA3 0.389 4.348 3.960 -0.001 0.000 0.120 192 G C 0.639 175.480 174.900 -0.098 0.000 1.034 192 G CA 0.323 45.393 45.100 -0.051 0.000 0.710 192 G HN 2.648 nan 8.290 nan 0.000 0.495 193 A N -0.297 122.459 122.820 -0.108 0.000 2.734 193 A HA -0.037 4.282 4.320 -0.001 0.000 0.296 193 A C 1.305 178.733 177.584 -0.259 0.000 1.474 193 A CA 1.355 53.305 52.037 -0.145 0.000 0.735 193 A CB -1.952 16.979 19.000 -0.115 0.000 1.062 193 A HN 1.719 nan 8.150 nan 0.000 0.463 194 M N 0.426 119.817 119.600 -0.348 0.000 2.649 194 M HA -0.267 4.212 4.480 -0.001 0.000 0.512 194 M C 1.403 177.223 176.300 -0.800 0.000 1.403 194 M CA 1.587 56.455 55.300 -0.721 0.000 0.937 194 M CB -1.677 30.279 32.600 -1.074 0.000 1.702 194 M HN 0.899 nan 8.290 nan 0.000 0.510 195 N N 1.734 120.191 118.700 -0.405 0.000 2.373 195 N HA -0.322 4.418 4.740 -0.001 0.000 0.208 195 N C 1.022 176.410 175.510 -0.204 0.000 0.466 195 N CA 2.806 55.750 53.050 -0.177 0.000 2.922 195 N CB -0.571 37.981 38.487 0.109 0.000 0.830 195 N HN 0.746 nan 8.380 nan 0.000 0.672 196 K N -1.953 118.237 120.400 -0.349 0.000 2.803 196 K HA 0.078 4.398 4.320 -0.001 0.000 0.166 196 K C -0.151 176.202 176.600 -0.412 0.000 1.975 196 K CA 0.167 56.153 56.287 -0.503 0.000 1.390 196 K CB 0.117 32.014 32.500 -1.005 0.000 2.217 196 K HN 0.154 nan 8.250 nan 0.000 0.591 197 F N 2.782 122.609 119.950 -0.206 0.000 2.629 197 F HA 0.060 4.586 4.527 -0.001 0.000 0.369 197 F C 0.832 176.638 175.800 0.010 0.000 1.125 197 F CA 0.139 58.132 58.000 -0.012 0.000 1.330 197 F CB 0.116 39.132 39.000 0.027 0.000 1.071 197 F HN 0.213 nan 8.300 nan 0.000 0.595 198 M N 2.240 121.891 119.600 0.085 0.000 2.790 198 M HA -0.284 4.196 4.480 -0.001 0.000 0.218 198 M C -0.026 176.211 176.300 -0.105 0.000 0.488 198 M CA 1.149 56.428 55.300 -0.035 0.000 0.710 198 M CB -1.120 31.410 32.600 -0.116 0.000 2.629 198 M HN 1.129 nan 8.290 nan 0.000 0.650 244 S N -1.403 114.308 115.700 0.019 0.000 2.284 244 S HA 0.088 4.558 4.470 -0.001 0.000 0.213 244 S C -0.061 174.564 174.600 0.040 0.000 0.861 244 S CA 0.740 58.962 58.200 0.036 0.000 1.663 244 S CB -1.297 61.938 63.200 0.057 0.000 1.253 244 S HN 1.798 nan 8.310 nan 0.000 0.584 245 V N 3.432 123.361 119.914 0.024 0.000 2.555 245 V HA 0.462 4.582 4.120 -0.001 0.000 0.286 245 V C 0.736 176.796 176.094 -0.056 0.000 1.044 245 V CA -0.344 61.975 62.300 0.031 0.000 1.026 245 V CB 0.077 31.923 31.823 0.039 0.000 0.981 245 V HN 0.625 nan 8.190 nan 0.000 0.480 246 N N 4.590 123.223 118.700 -0.111 0.000 2.580 246 N HA -0.139 4.600 4.740 -0.001 0.000 0.301 246 N C -1.799 173.523 175.510 -0.313 0.000 1.276 246 N CA 0.410 53.300 53.050 -0.267 0.000 0.711 246 N CB 0.178 38.660 38.487 -0.009 0.000 0.978 246 N HN 0.562 nan 8.380 nan 0.000 0.538 247 P HA 0.070 nan 4.420 nan 0.000 0.236 247 P C 0.584 177.540 177.300 -0.573 0.000 1.177 247 P CA 0.844 63.625 63.100 -0.530 0.000 0.773 247 P CB 0.081 31.376 31.700 -0.675 0.000 0.878 248 F N -1.371 118.470 119.950 -0.182 0.000 2.678 248 F HA 0.391 4.917 4.527 -0.002 0.000 0.305 248 F C 2.141 177.919 175.800 -0.036 0.000 1.090 248 F CA -0.198 57.762 58.000 -0.067 0.000 1.272 248 F CB -0.585 38.415 39.000 -0.000 0.000 1.060 248 F HN -0.157 nan 8.300 nan 0.000 0.576 249 A N 0.734 123.600 122.820 0.077 0.000 1.958 249 A HA -0.235 4.084 4.320 -0.001 0.000 0.221 249 A C 2.342 179.959 177.584 0.056 0.000 1.178 249 A CA 1.986 54.061 52.037 0.064 0.000 0.642 249 A CB -0.976 18.037 19.000 0.021 0.000 0.816 249 A HN 0.311 nan 8.150 nan 0.000 0.453 250 A N -1.561 121.281 122.820 0.037 0.000 2.239 250 A HA 0.200 4.519 4.320 -0.001 0.000 0.209 250 A C 1.662 179.275 177.584 0.049 0.000 1.171 250 A CA 1.131 53.184 52.037 0.028 0.000 0.768 250 A CB -0.342 18.659 19.000 0.002 0.000 0.790 250 A HN 0.471 nan 8.150 nan 0.000 0.478 251 M N -1.690 117.961 119.600 0.085 0.000 2.313 251 M HA 0.194 4.674 4.480 -0.001 0.000 0.273 251 M C 1.218 177.556 176.300 0.062 0.000 1.049 251 M CA 0.786 56.137 55.300 0.085 0.000 1.004 251 M CB -0.400 32.282 32.600 0.137 0.000 1.461 251 M HN 0.640 nan 8.290 nan 0.000 0.514 252 G N 2.314 111.151 108.800 0.062 0.000 2.305 252 G HA2 -0.187 3.773 3.960 -0.001 0.000 0.287 252 G HA3 -0.187 3.773 3.960 -0.001 0.000 0.287 252 G C -0.177 174.750 174.900 0.045 0.000 1.036 252 G CA 0.089 45.217 45.100 0.047 0.000 0.887 252 G HN 0.358 nan 8.290 nan 0.000 0.505 253 V N 0.007 119.961 119.914 0.066 0.000 2.513 253 V HA 0.511 4.631 4.120 -0.001 0.000 0.299 253 V C 0.997 177.140 176.094 0.083 0.000 1.035 253 V CA -1.166 61.160 62.300 0.043 0.000 0.889 253 V CB 1.789 33.609 31.823 -0.005 0.000 0.988 253 V HN 0.535 nan 8.190 nan 0.000 0.440 254 R N 2.572 123.106 120.500 0.058 0.000 2.623 254 R HA 0.170 4.509 4.340 -0.001 0.000 0.271 254 R C -1.498 174.884 176.300 0.137 0.000 1.043 254 R CA -0.052 56.099 56.100 0.085 0.000 1.083 254 R CB 0.342 30.663 30.300 0.034 0.000 0.974 254 R HN 0.762 nan 8.270 nan 0.000 0.436 255 Y N 4.129 124.460 120.300 0.051 0.000 2.329 255 Y HA 0.382 4.931 4.550 -0.001 0.000 0.328 255 Y C -1.514 174.440 175.900 0.090 0.000 0.992 255 Y CA -0.704 57.450 58.100 0.089 0.000 1.151 255 Y CB 1.388 39.961 38.460 0.189 0.000 1.150 255 Y HN 0.253 nan 8.280 nan 0.000 0.450 256 V N 6.329 125.943 119.914 -0.500 0.000 2.604 256 V HA 0.935 5.054 4.120 -0.001 0.000 0.305 256 V C 0.347 176.114 176.094 -0.545 0.000 1.043 256 V CA 0.015 62.099 62.300 -0.359 0.000 0.888 256 V CB 0.953 32.678 31.823 -0.164 0.000 0.995 256 V HN 1.211 nan 8.190 nan 0.000 0.429 257 G N 5.330 113.942 108.800 -0.313 0.000 2.447 257 G HA2 -0.033 3.927 3.960 -0.001 0.000 0.220 257 G HA3 -0.033 3.927 3.960 -0.001 0.000 0.220 257 G C -3.030 171.812 174.900 -0.097 0.000 1.261 257 G CA -0.528 44.433 45.100 -0.233 0.000 1.000 257 G HN 0.713 nan 8.290 nan 0.000 0.515 258 P HA 0.466 nan 4.420 nan 0.000 0.268 258 P C 0.313 177.485 177.300 -0.212 0.000 1.205 258 P CA 0.475 63.330 63.100 -0.409 0.000 0.771 258 P CB 1.189 32.562 31.700 -0.546 0.000 0.858 259 V N -1.295 118.506 119.914 -0.189 0.000 3.103 259 V HA 0.491 4.610 4.120 -0.001 0.000 0.318 259 V C -0.105 175.920 176.094 -0.115 0.000 1.114 259 V CA -1.144 61.087 62.300 -0.115 0.000 1.020 259 V CB 1.671 33.451 31.823 -0.072 0.000 1.085 259 V HN 0.395 nan 8.190 nan 0.000 0.446 260 D N 1.739 122.087 120.400 -0.087 0.000 2.346 260 D HA 0.286 4.925 4.640 -0.001 0.000 0.260 260 D C 1.141 177.370 176.300 -0.117 0.000 1.252 260 D CA 0.682 54.629 54.000 -0.088 0.000 0.895 260 D CB 1.065 41.835 40.800 -0.050 0.000 1.097 260 D HN 0.922 nan 8.370 nan 0.000 0.489 261 G N 2.992 111.658 108.800 -0.223 0.000 3.124 261 G HA2 -0.121 3.838 3.960 -0.001 0.000 0.212 261 G HA3 -0.121 3.838 3.960 -0.001 0.000 0.212 261 G C 0.793 175.490 174.900 -0.338 0.000 1.181 261 G CA 0.072 45.001 45.100 -0.284 0.000 0.803 261 G HN 0.592 nan 8.290 nan 0.000 0.529 262 H N -0.934 118.131 119.070 -0.008 0.000 2.893 262 H HA 0.123 4.679 4.556 -0.001 0.000 0.270 262 H C 0.385 175.703 175.328 -0.015 0.000 1.095 262 H CA -0.564 55.478 56.048 -0.010 0.000 1.186 262 H CB 0.401 30.155 29.762 -0.014 0.000 1.562 262 H HN 0.399 nan 8.280 nan 0.000 0.536 263 N N 1.924 120.662 118.700 0.063 0.000 2.807 263 N HA 0.040 4.779 4.740 -0.001 0.000 0.259 263 N C 1.317 176.835 175.510 0.012 0.000 1.149 263 N CA -0.168 52.895 53.050 0.023 0.000 1.042 263 N CB 0.736 39.219 38.487 -0.007 0.000 1.367 263 N HN -0.087 nan 8.380 nan 0.000 0.516 264 V N 3.372 123.296 119.914 0.017 0.000 2.380 264 V HA -0.287 3.832 4.120 -0.001 0.000 0.251 264 V C 2.090 178.174 176.094 -0.016 0.000 1.063 264 V CA 2.005 64.308 62.300 0.005 0.000 1.055 264 V CB -0.241 31.581 31.823 -0.003 0.000 0.657 264 V HN 0.731 nan 8.190 nan 0.000 0.455 265 Q N -0.812 118.970 119.800 -0.029 0.000 2.046 265 Q HA -0.219 4.120 4.340 -0.001 0.000 0.200 265 Q C 2.384 178.396 176.000 0.020 0.000 0.975 265 Q CA 1.828 57.613 55.803 -0.029 0.000 0.836 265 Q CB -0.274 28.438 28.738 -0.045 0.000 0.896 265 Q HN 0.705 nan 8.270 nan 0.000 0.428 266 E N 0.700 120.897 120.200 -0.005 0.000 2.160 266 E HA -0.197 4.152 4.350 -0.001 0.000 0.195 266 E C 1.863 178.524 176.600 0.103 0.000 0.991 266 E CA 0.732 57.135 56.400 0.006 0.000 0.810 266 E CB 0.031 29.697 29.700 -0.056 0.000 0.742 266 E HN 0.352 nan 8.360 nan 0.000 0.466 267 L N -0.034 121.228 121.223 0.065 0.000 2.156 267 L HA -0.133 4.206 4.340 -0.001 0.000 0.208 267 L C 2.516 179.441 176.870 0.092 0.000 1.095 267 L CA 0.378 55.259 54.840 0.067 0.000 0.770 267 L CB -0.154 41.926 42.059 0.035 0.000 0.914 267 L HN 0.026 nan 8.230 nan 0.000 0.439 268 V N -0.992 118.979 119.914 0.095 0.000 2.270 268 V HA -0.309 3.810 4.120 -0.001 0.000 0.245 268 V C 2.102 178.285 176.094 0.149 0.000 1.043 268 V CA 2.036 64.401 62.300 0.108 0.000 1.014 268 V CB -0.611 31.248 31.823 0.060 0.000 0.645 268 V HN 0.601 nan 8.190 nan 0.000 0.447 269 W N 0.402 121.696 121.300 -0.010 0.000 2.302 269 W HA -0.284 4.375 4.660 -0.001 0.000 0.320 269 W C 2.277 178.786 176.519 -0.017 0.000 1.241 269 W CA 2.274 59.614 57.345 -0.009 0.000 1.264 269 W CB -0.421 29.029 29.460 -0.017 0.000 1.154 269 W HN 0.141 nan 8.180 nan 0.000 0.483 270 L N -0.254 121.156 121.223 0.312 0.000 1.989 270 L HA -0.301 4.038 4.340 -0.001 0.000 0.211 270 L C 2.614 179.454 176.870 -0.051 0.000 1.071 270 L CA 1.611 56.527 54.840 0.127 0.000 0.749 270 L CB -1.109 41.050 42.059 0.166 0.000 0.890 270 L HN 0.081 nan 8.230 nan 0.000 0.431 271 L N -0.627 120.582 121.223 -0.024 0.000 2.042 271 L HA -0.248 4.092 4.340 -0.001 0.000 0.210 271 L C 2.563 179.358 176.870 -0.126 0.000 1.076 271 L CA 1.407 56.205 54.840 -0.069 0.000 0.749 271 L CB -0.584 41.455 42.059 -0.034 0.000 0.893 271 L HN 0.344 nan 8.230 nan 0.000 0.432 272 E N -0.127 119.999 120.200 -0.123 0.000 2.118 272 E HA -0.250 4.099 4.350 -0.001 0.000 0.195 272 E C 2.330 178.802 176.600 -0.214 0.000 0.992 272 E CA 1.272 57.578 56.400 -0.156 0.000 0.804 272 E CB -0.017 29.593 29.700 -0.150 0.000 0.741 272 E HN 0.427 nan 8.360 nan 0.000 0.458 273 R N 0.063 120.391 120.500 -0.287 0.000 2.100 273 R HA 0.062 4.401 4.340 -0.001 0.000 0.220 273 R C 2.325 178.509 176.300 -0.194 0.000 1.091 273 R CA 0.460 56.384 56.100 -0.293 0.000 0.986 273 R CB 0.026 30.048 30.300 -0.463 0.000 0.888 273 R HN 0.113 nan 8.270 nan 0.000 0.444 274 L N -0.164 120.959 121.223 -0.167 0.000 2.217 274 L HA -0.075 4.265 4.340 -0.001 0.000 0.211 274 L C 2.062 178.853 176.870 -0.132 0.000 1.107 274 L CA 0.605 55.369 54.840 -0.126 0.000 0.783 274 L CB -0.215 41.781 42.059 -0.106 0.000 0.919 274 L HN 0.048 nan 8.230 nan 0.000 0.442 275 V N 0.072 119.878 119.914 -0.181 0.000 2.548 275 V HA -0.195 3.924 4.120 -0.001 0.000 0.249 275 V C 1.389 177.382 176.094 -0.169 0.000 1.055 275 V CA 1.645 63.786 62.300 -0.265 0.000 1.065 275 V CB -0.291 31.242 31.823 -0.483 0.000 0.681 275 V HN 0.496 nan 8.190 nan 0.000 0.462 276 D N -0.410 119.937 120.400 -0.089 0.000 2.340 276 D HA 0.145 4.784 4.640 -0.001 0.000 0.217 276 D C 0.618 176.908 176.300 -0.017 0.000 1.081 276 D CA -0.013 53.989 54.000 0.004 0.000 0.842 276 D CB 0.094 40.901 40.800 0.012 0.000 0.934 276 D HN 0.328 nan 8.370 nan 0.000 0.511 277 L N 1.398 122.597 121.223 -0.041 0.000 2.456 277 L HA 0.058 4.397 4.340 -0.001 0.000 0.272 277 L C 0.563 177.419 176.870 -0.023 0.000 1.189 277 L CA -0.073 54.745 54.840 -0.035 0.000 0.846 277 L CB 0.414 42.447 42.059 -0.044 0.000 1.111 277 L HN -0.275 nan 8.230 nan 0.000 0.475 278 D N 1.622 122.010 120.400 -0.020 0.000 2.372 278 D HA 0.440 5.079 4.640 -0.001 0.000 0.243 278 D C 0.575 176.863 176.300 -0.020 0.000 1.121 278 D CA 0.932 54.921 54.000 -0.019 0.000 0.898 278 D CB 1.133 41.923 40.800 -0.017 0.000 1.202 278 D HN 0.765 nan 8.370 nan 0.000 0.428 279 G N 1.509 110.295 108.800 -0.023 0.000 2.855 279 G HA2 -0.138 3.821 3.960 -0.001 0.000 0.352 279 G HA3 -0.138 3.821 3.960 -0.001 0.000 0.352 279 G C -2.727 172.157 174.900 -0.027 0.000 1.415 279 G CA -1.016 44.070 45.100 -0.023 0.000 0.871 279 G HN 0.472 nan 8.290 nan 0.000 0.543 280 P HA 0.496 nan 4.420 nan 0.000 0.278 280 P C -0.363 176.913 177.300 -0.040 0.000 1.238 280 P CA 0.054 63.131 63.100 -0.039 0.000 0.794 280 P CB 1.480 33.156 31.700 -0.041 0.000 0.955 281 T N 2.732 117.252 114.554 -0.058 0.000 2.916 281 T HA 0.500 4.850 4.350 -0.001 0.000 0.298 281 T C 0.010 174.650 174.700 -0.099 0.000 1.031 281 T CA -0.352 61.710 62.100 -0.063 0.000 0.993 281 T CB 0.787 69.617 68.868 -0.062 0.000 1.045 281 T HN 0.208 nan 8.240 nan 0.000 0.454 282 I N 3.348 123.851 120.570 -0.112 0.000 2.307 282 I HA 0.285 4.455 4.170 -0.001 0.000 0.289 282 I C -0.541 175.479 176.117 -0.160 0.000 1.021 282 I CA -0.808 60.397 61.300 -0.159 0.000 1.224 282 I CB 1.091 38.940 38.000 -0.252 0.000 1.376 282 I HN 0.313 nan 8.210 nan 0.000 0.470 283 L N 8.031 129.176 121.223 -0.131 0.000 2.283 283 L HA 0.219 4.558 4.340 -0.001 0.000 0.287 283 L C -0.021 176.813 176.870 -0.061 0.000 1.073 283 L CA 0.119 54.887 54.840 -0.120 0.000 0.822 283 L CB 0.003 42.011 42.059 -0.085 0.000 1.186 283 L HN 0.482 nan 8.230 nan 0.000 0.436 284 H N 6.471 125.404 119.070 -0.229 0.000 2.761 284 H HA 0.404 4.959 4.556 -0.001 0.000 0.284 284 H C -0.321 174.947 175.328 -0.100 0.000 1.105 284 H CA -0.829 55.145 56.048 -0.122 0.000 1.352 284 H CB 0.544 30.273 29.762 -0.055 0.000 1.423 284 H HN 0.748 nan 8.280 nan 0.000 0.464 285 I N 2.847 123.500 120.570 0.138 0.000 2.460 285 I HA 0.442 4.612 4.170 -0.001 0.000 0.298 285 I C -1.112 175.007 176.117 0.003 0.000 0.989 285 I CA -1.015 60.279 61.300 -0.009 0.000 1.173 285 I CB 1.859 39.828 38.000 -0.052 0.000 1.338 285 I HN 0.204 nan 8.210 nan 0.000 0.456 286 V N 5.271 125.123 119.914 -0.104 0.000 2.370 286 V HA 0.488 4.607 4.120 -0.001 0.000 0.279 286 V C 0.506 176.496 176.094 -0.174 0.000 1.029 286 V CA -0.022 62.225 62.300 -0.087 0.000 0.870 286 V CB 1.235 33.007 31.823 -0.085 0.000 0.984 286 V HN 1.014 nan 8.190 nan 0.000 0.451 287 T N 0.728 115.196 114.554 -0.144 0.000 2.907 287 T HA 0.549 4.899 4.350 -0.001 0.000 0.290 287 T C -0.328 174.424 174.700 0.087 0.000 1.066 287 T CA -0.732 61.233 62.100 -0.226 0.000 1.012 287 T CB 1.982 70.714 68.868 -0.226 0.000 1.184 287 T HN 0.396 nan 8.240 nan 0.000 0.522 288 T N 2.142 116.929 114.554 0.388 0.000 2.758 288 T HA 0.378 4.727 4.350 -0.001 0.000 0.285 288 T C 0.022 174.822 174.700 0.167 0.000 0.981 288 T CA -0.649 61.587 62.100 0.227 0.000 0.965 288 T CB 0.748 69.720 68.868 0.174 0.000 0.927 288 T HN 0.499 nan 8.240 nan 0.000 0.448 289 K N 2.074 122.544 120.400 0.117 0.000 2.472 289 K HA 0.212 4.532 4.320 -0.001 0.000 0.280 289 K C 1.155 177.793 176.600 0.063 0.000 1.028 289 K CA 0.925 57.271 56.287 0.100 0.000 1.045 289 K CB 0.262 32.835 32.500 0.122 0.000 0.902 289 K HN 1.035 nan 8.250 nan 0.000 0.478 290 G N 2.928 111.748 108.800 0.034 0.000 2.171 290 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.238 290 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.238 290 G C -0.118 174.735 174.900 -0.078 0.000 1.039 290 G CA 0.333 45.424 45.100 -0.015 0.000 0.759 290 G HN 0.572 nan 8.290 nan 0.000 0.501 291 K N 0.489 120.835 120.400 -0.089 0.000 2.416 291 K HA 0.489 4.808 4.320 -0.001 0.000 0.283 291 K C 1.533 178.017 176.600 -0.192 0.000 1.037 291 K CA 1.318 57.484 56.287 -0.201 0.000 0.995 291 K CB 0.202 32.441 32.500 -0.435 0.000 0.938 291 K HN 1.626 nan 8.250 nan 0.000 0.475 292 G N 2.874 111.558 108.800 -0.192 0.000 2.141 292 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.231 292 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.231 292 G C -0.774 174.032 174.900 -0.157 0.000 0.984 292 G CA 0.100 45.103 45.100 -0.160 0.000 0.660 292 G HN 0.550 nan 8.290 nan 0.000 0.525 293 L N 1.604 122.707 121.223 -0.201 0.000 2.415 293 L HA 0.663 5.002 4.340 -0.001 0.000 0.268 293 L C 1.501 178.118 176.870 -0.422 0.000 0.984 293 L CA 0.373 55.041 54.840 -0.287 0.000 0.853 293 L CB 1.445 43.370 42.059 -0.223 0.000 1.215 293 L HN 0.446 nan 8.230 nan 0.000 0.419 294 S N 3.010 118.370 115.700 -0.566 0.000 2.419 294 S HA -0.208 4.262 4.470 -0.001 0.000 0.235 294 S C 1.447 175.750 174.600 -0.496 0.000 1.019 294 S CA 1.399 59.297 58.200 -0.503 0.000 0.982 294 S CB -0.673 62.237 63.200 -0.482 0.000 0.789 294 S HN 0.681 nan 8.310 nan 0.000 0.490 295 Y N 1.975 122.064 120.300 -0.351 0.000 2.220 295 Y HA 0.251 4.800 4.550 -0.001 0.000 0.291 295 Y C 2.982 178.424 175.900 -0.763 0.000 1.129 295 Y CA 0.411 58.217 58.100 -0.490 0.000 1.161 295 Y CB -0.921 37.110 38.460 -0.714 0.000 0.997 295 Y HN 0.366 nan 8.280 nan 0.000 0.522 296 A N 0.464 122.812 122.820 -0.788 0.000 1.930 296 A HA -0.164 4.155 4.320 -0.001 0.000 0.217 296 A C 2.045 179.558 177.584 -0.118 0.000 1.175 296 A CA 1.556 53.292 52.037 -0.501 0.000 0.627 296 A CB -0.556 18.247 19.000 -0.329 0.000 0.815 296 A HN 0.498 nan 8.150 nan 0.000 0.443 297 E N -0.307 119.802 120.200 -0.152 0.000 2.031 297 E HA -0.130 4.219 4.350 -0.001 0.000 0.193 297 E C 2.309 178.909 176.600 -0.000 0.000 0.994 297 E CA 1.044 57.405 56.400 -0.065 0.000 0.800 297 E CB -0.247 29.390 29.700 -0.106 0.000 0.752 297 E HN 0.594 nan 8.360 nan 0.000 0.447 298 A N 0.825 123.640 122.820 -0.008 0.000 1.969 298 A HA -0.125 4.195 4.320 -0.001 0.000 0.218 298 A C 1.148 178.814 177.584 0.137 0.000 1.169 298 A CA 1.107 53.177 52.037 0.055 0.000 0.635 298 A CB 0.211 19.238 19.000 0.046 0.000 0.810 298 A HN 0.107 nan 8.150 nan 0.000 0.445 299 D N -1.714 118.820 120.400 0.223 0.000 2.441 299 D HA 0.322 4.962 4.640 -0.001 0.000 0.287 299 D C -2.384 174.166 176.300 0.417 0.000 1.198 299 D CA -1.884 52.324 54.000 0.346 0.000 0.894 299 D CB 1.002 42.091 40.800 0.482 0.000 1.070 299 D HN 0.040 nan 8.370 nan 0.000 0.499 300 P HA 0.078 nan 4.420 nan 0.000 0.229 300 P C 1.518 178.966 177.300 0.246 0.000 1.160 300 P CA 0.463 63.712 63.100 0.247 0.000 0.777 300 P CB 0.539 32.342 31.700 0.171 0.000 0.814 301 I N -2.295 118.401 120.570 0.211 0.000 2.277 301 I HA -0.196 3.974 4.170 -0.001 0.000 0.243 301 I C 2.402 178.583 176.117 0.106 0.000 1.094 301 I CA 1.129 62.514 61.300 0.142 0.000 1.393 301 I CB -0.706 37.361 38.000 0.112 0.000 1.078 301 I HN -0.132 nan 8.210 nan 0.000 0.417 302 Y N 0.663 120.959 120.300 -0.007 0.000 2.181 302 Y HA -0.234 4.315 4.550 -0.001 0.000 0.288 302 Y C 1.806 177.500 175.900 -0.343 0.000 1.146 302 Y CA 1.424 59.367 58.100 -0.261 0.000 1.164 302 Y CB -0.297 37.870 38.460 -0.488 0.000 0.982 302 Y HN 0.091 nan 8.280 nan 0.000 0.515 303 W N -0.633 120.655 121.300 -0.020 0.000 3.180 303 W HA 0.005 4.664 4.660 -0.001 0.000 0.254 303 W C 2.488 178.967 176.519 -0.067 0.000 1.318 303 W CA 0.745 58.035 57.345 -0.092 0.000 1.608 303 W CB -0.425 29.035 29.460 -0.001 0.000 1.124 303 W HN 0.216 nan 8.180 nan 0.000 0.694 304 H N -0.165 118.928 119.070 0.037 0.000 2.319 304 H HA -0.042 4.514 4.556 -0.001 0.000 0.299 304 H C 0.810 176.142 175.328 0.006 0.000 1.092 304 H CA 1.796 57.888 56.048 0.074 0.000 1.302 304 H CB 0.057 29.873 29.762 0.090 0.000 1.373 304 H HN 0.074 nan 8.280 nan 0.000 0.497 305 G N 2.486 111.228 108.800 -0.097 0.000 4.040 305 G HA2 0.259 4.219 3.960 -0.001 0.000 0.328 305 G HA3 0.259 4.219 3.960 -0.001 0.000 0.328 305 G C -2.778 171.846 174.900 -0.460 0.000 1.503 305 G CA -0.877 44.083 45.100 -0.235 0.000 0.909 305 G HN 0.197 nan 8.290 nan 0.000 0.495 306 P HA 0.323 nan 4.420 nan 0.000 0.272 306 P C 0.193 177.341 177.300 -0.253 0.000 1.240 306 P CA -0.147 62.545 63.100 -0.679 0.000 0.791 306 P CB 1.819 33.288 31.700 -0.386 0.000 0.978 307 A N 1.340 124.087 122.820 -0.122 0.000 3.106 307 A HA 0.331 4.651 4.320 -0.001 0.000 0.306 307 A C 0.205 177.889 177.584 0.166 0.000 1.192 307 A CA -0.579 51.481 52.037 0.037 0.000 0.994 307 A CB -0.834 18.204 19.000 0.063 0.000 1.107 307 A HN 0.641 nan 8.150 nan 0.000 0.585 308 K N -0.181 120.360 120.400 0.235 0.000 6.595 308 K HA -0.133 4.186 4.320 -0.001 0.000 0.817 308 K C -0.973 175.830 176.600 0.339 0.000 2.257 308 K CA 0.766 57.179 56.287 0.211 0.000 1.680 308 K CB -1.313 31.250 32.500 0.103 0.000 2.220 308 K HN 1.130 nan 8.250 nan 0.000 0.275 309 F N 1.319 121.378 119.950 0.181 0.000 2.650 309 F HA 0.645 5.172 4.527 -0.001 0.000 0.320 309 F C -0.766 175.126 175.800 0.153 0.000 1.091 309 F CA -1.354 56.785 58.000 0.230 0.000 0.962 309 F CB 1.161 40.422 39.000 0.434 0.000 1.363 309 F HN 0.225 nan 8.300 nan 0.000 0.482 310 D N 1.758 122.297 120.400 0.232 0.000 2.373 310 D HA 0.433 5.072 4.640 -0.001 0.000 0.227 310 D C -2.054 174.373 176.300 0.210 0.000 1.091 310 D CA -2.675 51.374 54.000 0.081 0.000 0.840 310 D CB 1.835 42.674 40.800 0.066 0.000 1.060 310 D HN 0.181 nan 8.370 nan 0.000 0.502 311 P HA -0.155 nan 4.420 nan 0.000 0.216 311 P C 0.928 178.375 177.300 0.245 0.000 1.150 311 P CA 1.622 64.894 63.100 0.287 0.000 0.843 311 P CB 0.259 32.048 31.700 0.148 0.000 0.787 312 A N -0.650 122.257 122.820 0.145 0.000 1.841 312 A HA -0.087 4.232 4.320 -0.001 0.000 0.214 312 A C 1.586 179.263 177.584 0.154 0.000 1.195 312 A CA 2.187 54.304 52.037 0.134 0.000 0.611 312 A CB -1.873 17.174 19.000 0.077 0.000 0.835 312 A HN 0.335 nan 8.150 nan 0.000 0.443 313 T N -3.548 111.049 114.554 0.071 0.000 2.801 313 T HA 0.453 4.802 4.350 -0.001 0.000 0.324 313 T C 0.893 175.393 174.700 -0.333 0.000 1.088 313 T CA 0.109 62.205 62.100 -0.006 0.000 0.975 313 T CB 0.802 69.655 68.868 -0.025 0.000 1.316 313 T HN 0.626 nan 8.240 nan 0.000 0.533 314 G N -0.521 107.877 108.800 -0.671 0.000 3.993 314 G HA2 0.343 4.303 3.960 -0.001 0.000 0.294 314 G HA3 0.343 4.303 3.960 -0.001 0.000 0.294 314 G C -0.218 174.538 174.900 -0.240 0.000 1.043 314 G CA -0.421 43.861 45.100 -1.363 0.000 0.839 314 G HN 0.685 nan 8.290 nan 0.000 0.516 315 E N 0.680 120.823 120.200 -0.095 0.000 2.197 315 E HA 0.484 4.833 4.350 -0.001 0.000 0.281 315 E C -0.969 175.671 176.600 0.067 0.000 0.995 315 E CA -0.740 55.591 56.400 -0.116 0.000 0.808 315 E CB 1.295 30.917 29.700 -0.130 0.000 1.093 315 E HN 0.464 nan 8.360 nan 0.000 0.394 316 Y N -1.413 118.932 120.300 0.074 0.000 2.562 316 Y HA 0.502 5.052 4.550 -0.001 0.000 0.343 316 Y C -0.315 175.613 175.900 0.047 0.000 1.025 316 Y CA -1.737 56.428 58.100 0.108 0.000 1.082 316 Y CB 0.222 38.717 38.460 0.058 0.000 1.264 316 Y HN 0.092 nan 8.280 nan 0.000 0.478 317 V N 4.574 124.671 119.914 0.304 0.000 2.434 317 V HA 0.121 4.241 4.120 -0.001 0.000 0.281 317 V C -1.987 174.258 176.094 0.253 0.000 1.005 317 V CA -1.030 61.389 62.300 0.197 0.000 1.089 317 V CB -0.245 31.668 31.823 0.149 0.000 0.978 317 V HN 0.609 nan 8.190 nan 0.000 0.474 318 P HA 0.205 nan 4.420 nan 0.000 0.292 318 P C -0.332 177.036 177.300 0.114 0.000 1.326 318 P CA -0.202 62.998 63.100 0.167 0.000 0.787 318 P CB 1.290 33.041 31.700 0.084 0.000 0.903 319 S N 2.376 118.147 115.700 0.117 0.000 2.510 319 S HA 0.175 4.644 4.470 -0.001 0.000 0.279 319 S C 1.109 175.754 174.600 0.077 0.000 1.284 319 S CA -0.163 58.089 58.200 0.086 0.000 1.059 319 S CB -0.170 63.079 63.200 0.081 0.000 0.901 319 S HN 0.472 nan 8.310 nan 0.000 0.491 320 S N 3.980 119.719 115.700 0.065 0.000 2.602 320 S HA 0.508 4.978 4.470 -0.001 0.000 0.240 320 S C 0.585 175.229 174.600 0.074 0.000 0.992 320 S CA -0.163 58.075 58.200 0.063 0.000 0.971 320 S CB -0.055 63.173 63.200 0.047 0.000 0.855 320 S HN 0.925 nan 8.310 nan 0.000 0.481 321 A N 1.015 123.879 122.820 0.073 0.000 2.475 321 A HA 0.450 4.769 4.320 -0.001 0.000 0.239 321 A C 0.498 178.158 177.584 0.127 0.000 1.087 321 A CA -0.049 52.037 52.037 0.082 0.000 0.779 321 A CB -0.076 18.963 19.000 0.064 0.000 1.036 321 A HN 0.542 nan 8.150 nan 0.000 0.506 322 Y N 1.240 121.520 120.300 -0.033 0.000 2.483 322 Y HA 0.363 4.913 4.550 -0.001 0.000 0.243 322 Y C 1.186 177.058 175.900 -0.047 0.000 1.024 322 Y CA 1.158 59.225 58.100 -0.056 0.000 1.091 322 Y CB -0.503 37.892 38.460 -0.109 0.000 1.034 322 Y HN 1.654 nan 8.280 nan 0.000 0.475 323 S N -2.347 113.277 115.700 -0.127 0.000 2.864 323 S HA -0.186 4.283 4.470 -0.001 0.000 0.856 323 S C 0.152 174.604 174.600 -0.246 0.000 0.893 323 S CA 0.082 58.192 58.200 -0.151 0.000 1.458 323 S CB -1.765 61.416 63.200 -0.032 0.000 1.046 323 S HN 0.630 nan 8.310 nan 0.000 0.226 324 W N 2.804 124.058 121.300 -0.077 0.000 2.290 324 W HA -0.211 4.449 4.660 -0.001 0.000 0.318 324 W C 2.891 179.328 176.519 -0.137 0.000 1.248 324 W CA 2.227 59.483 57.345 -0.147 0.000 1.263 324 W CB -1.017 28.417 29.460 -0.043 0.000 1.147 324 W HN 0.873 nan 8.180 nan 0.000 0.494 325 S N -0.013 115.835 115.700 0.246 0.000 2.372 325 S HA -0.310 4.159 4.470 -0.001 0.000 0.227 325 S C 1.910 176.579 174.600 0.114 0.000 1.044 325 S CA 1.848 60.201 58.200 0.255 0.000 1.050 325 S CB -0.993 62.339 63.200 0.220 0.000 0.901 325 S HN 0.358 nan 8.310 nan 0.000 0.447 326 A N 0.894 123.626 122.820 -0.147 0.000 2.014 326 A HA 0.279 4.599 4.320 -0.001 0.000 0.218 326 A C 2.268 179.665 177.584 -0.311 0.000 1.163 326 A CA 1.484 53.328 52.037 -0.323 0.000 0.652 326 A CB -0.771 17.798 19.000 -0.719 0.000 0.808 326 A HN 0.517 nan 8.150 nan 0.000 0.449 327 A N -0.870 121.768 122.820 -0.303 0.000 1.874 327 A HA 0.102 4.422 4.320 -0.001 0.000 0.214 327 A C 1.986 179.581 177.584 0.017 0.000 1.189 327 A CA 1.360 53.342 52.037 -0.092 0.000 0.615 327 A CB -0.719 18.218 19.000 -0.105 0.000 0.830 327 A HN 0.685 nan 8.150 nan 0.000 0.443 328 F N 1.563 121.464 119.950 -0.081 0.000 2.069 328 F HA -0.057 4.469 4.527 -0.001 0.000 0.298 328 F C 2.232 178.083 175.800 0.084 0.000 1.113 328 F CA 1.510 59.513 58.000 0.004 0.000 1.214 328 F CB -0.974 38.050 39.000 0.040 0.000 0.978 328 F HN 0.211 nan 8.300 nan 0.000 0.474 329 G N 0.124 108.834 108.800 -0.151 0.000 2.719 329 G HA2 -0.399 3.560 3.960 -0.001 0.000 0.219 329 G HA3 -0.399 3.560 3.960 -0.001 0.000 0.219 329 G C 1.591 176.436 174.900 -0.091 0.000 1.234 329 G CA 1.285 46.290 45.100 -0.158 0.000 0.788 329 G HN 0.511 nan 8.290 nan 0.000 0.619 330 E N 0.405 120.599 120.200 -0.010 0.000 2.097 330 E HA -0.118 4.231 4.350 -0.001 0.000 0.196 330 E C 2.982 179.646 176.600 0.106 0.000 1.000 330 E CA 0.878 57.317 56.400 0.065 0.000 0.804 330 E CB -0.243 29.514 29.700 0.094 0.000 0.740 330 E HN 0.433 nan 8.360 nan 0.000 0.454 331 A N 0.844 123.703 122.820 0.066 0.000 1.858 331 A HA -0.179 4.140 4.320 -0.001 0.000 0.216 331 A C 2.544 180.337 177.584 0.348 0.000 1.190 331 A CA 1.940 54.105 52.037 0.213 0.000 0.617 331 A CB -0.911 18.173 19.000 0.140 0.000 0.827 331 A HN 0.220 nan 8.150 nan 0.000 0.443 332 V N -2.351 117.598 119.914 0.057 0.000 2.427 332 V HA -0.175 3.945 4.120 -0.001 0.000 0.248 332 V C 2.265 178.576 176.094 0.360 0.000 1.051 332 V CA 2.445 64.825 62.300 0.133 0.000 1.048 332 V CB -2.050 29.634 31.823 -0.231 0.000 0.666 332 V HN 0.432 nan 8.190 nan 0.000 0.456 333 T N 0.082 114.854 114.554 0.364 0.000 2.803 333 T HA -0.233 4.116 4.350 -0.001 0.000 0.269 333 T C 1.793 176.708 174.700 0.358 0.000 1.052 333 T CA 2.178 64.532 62.100 0.423 0.000 1.136 333 T CB -0.236 68.798 68.868 0.278 0.000 0.864 333 T HN 0.750 nan 8.240 nan 0.000 0.467 334 E N -0.536 119.873 120.200 0.349 0.000 2.102 334 E HA -0.037 4.313 4.350 -0.001 0.000 0.190 334 E C 1.948 178.740 176.600 0.320 0.000 0.971 334 E CA 0.243 56.855 56.400 0.354 0.000 0.821 334 E CB -0.060 29.926 29.700 0.477 0.000 0.777 334 E HN 0.594 nan 8.360 nan 0.000 0.460 335 W N 1.283 122.683 121.300 0.166 0.000 2.332 335 W HA -0.189 4.471 4.660 -0.001 0.000 0.321 335 W C 1.963 178.446 176.519 -0.061 0.000 1.219 335 W CA 1.908 59.224 57.345 -0.048 0.000 1.277 335 W CB -0.385 29.051 29.460 -0.039 0.000 1.161 335 W HN 0.163 nan 8.180 nan 0.000 0.476 336 A N 0.603 123.500 122.820 0.128 0.000 2.186 336 A HA -0.220 4.100 4.320 -0.001 0.000 0.219 336 A C 1.922 179.397 177.584 -0.182 0.000 1.159 336 A CA 1.793 53.758 52.037 -0.120 0.000 0.680 336 A CB -0.779 18.046 19.000 -0.292 0.000 0.787 336 A HN 0.424 nan 8.150 nan 0.000 0.467 337 K N -0.672 119.712 120.400 -0.028 0.000 2.097 337 K HA -0.115 4.205 4.320 -0.001 0.000 0.206 337 K C 1.648 178.203 176.600 -0.075 0.000 1.049 337 K CA 1.718 58.042 56.287 0.061 0.000 0.933 337 K CB -0.060 32.502 32.500 0.103 0.000 0.717 337 K HN 0.685 nan 8.250 nan 0.000 0.442 338 T N -2.640 111.787 114.554 -0.212 0.000 3.054 338 T HA 0.066 4.415 4.350 -0.001 0.000 0.255 338 T C -0.195 174.284 174.700 -0.369 0.000 1.035 338 T CA -0.404 61.525 62.100 -0.285 0.000 0.941 338 T CB 0.361 69.013 68.868 -0.359 0.000 1.026 338 T HN -0.093 nan 8.240 nan 0.000 0.533 339 D N 1.611 121.784 120.400 -0.379 0.000 2.389 339 D HA 0.393 5.032 4.640 -0.001 0.000 0.256 339 D C -2.350 173.879 176.300 -0.118 0.000 1.239 339 D CA -2.451 51.356 54.000 -0.322 0.000 0.925 339 D CB 2.030 42.496 40.800 -0.556 0.000 1.145 339 D HN -0.092 nan 8.370 nan 0.000 0.542 340 P HA 0.033 nan 4.420 nan 0.000 0.230 340 P C 0.957 178.295 177.300 0.062 0.000 1.158 340 P CA 0.569 63.669 63.100 0.001 0.000 0.769 340 P CB 0.296 31.995 31.700 -0.000 0.000 0.807 341 R N -1.707 118.833 120.500 0.066 0.000 2.276 341 R HA 0.127 4.466 4.340 -0.001 0.000 0.196 341 R C 0.373 176.788 176.300 0.191 0.000 0.961 341 R CA 0.391 56.562 56.100 0.118 0.000 1.024 341 R CB -0.299 30.050 30.300 0.082 0.000 0.940 341 R HN 0.117 nan 8.270 nan 0.000 0.480 342 T N 1.309 115.984 114.554 0.202 0.000 2.814 342 T HA 0.177 4.526 4.350 -0.001 0.000 0.297 342 T C -0.862 174.015 174.700 0.295 0.000 0.956 342 T CA 0.448 62.710 62.100 0.269 0.000 1.123 342 T CB 0.359 69.437 68.868 0.351 0.000 0.902 342 T HN 0.000 nan 8.240 nan 0.000 0.528 343 F N 3.506 123.541 119.950 0.141 0.000 2.617 343 F HA 0.474 5.001 4.527 -0.001 0.000 0.325 343 F C -0.697 175.145 175.800 0.069 0.000 1.179 343 F CA -0.933 57.154 58.000 0.145 0.000 0.965 343 F CB 1.242 40.298 39.000 0.094 0.000 1.232 343 F HN 0.234 nan 8.300 nan 0.000 0.461 344 V N 6.255 126.242 119.914 0.121 0.000 2.465 344 V HA 0.490 4.609 4.120 -0.001 0.000 0.279 344 V C -0.515 175.622 176.094 0.073 0.000 1.045 344 V CA -0.597 61.686 62.300 -0.028 0.000 0.938 344 V CB 1.442 32.940 31.823 -0.541 0.000 0.986 344 V HN 0.476 nan 8.190 nan 0.000 0.467 345 V N 3.764 123.709 119.914 0.052 0.000 2.487 345 V HA 0.525 4.644 4.120 -0.001 0.000 0.298 345 V C 0.037 176.120 176.094 -0.019 0.000 1.028 345 V CA -0.365 61.931 62.300 -0.006 0.000 0.860 345 V CB 2.006 33.839 31.823 0.017 0.000 0.991 345 V HN 0.921 nan 8.190 nan 0.000 0.427 346 T N 5.893 120.410 114.554 -0.060 0.000 2.856 346 T HA 0.592 4.942 4.350 -0.001 0.000 0.283 346 T C -2.864 171.823 174.700 -0.023 0.000 1.008 346 T CA -2.191 59.915 62.100 0.009 0.000 0.997 346 T CB 2.110 71.033 68.868 0.091 0.000 0.992 346 T HN 0.504 nan 8.240 nan 0.000 0.454 347 P HA 0.399 nan 4.420 nan 0.000 0.234 347 P C 0.144 177.385 177.300 -0.099 0.000 1.799 347 P CA -0.036 63.031 63.100 -0.055 0.000 1.118 347 P CB 0.143 31.814 31.700 -0.049 0.000 1.827 348 A N 2.978 125.758 122.820 -0.067 0.000 3.021 348 A HA -0.172 4.147 4.320 -0.001 0.000 0.257 348 A C 0.672 178.216 177.584 -0.067 0.000 1.277 348 A CA 1.225 53.218 52.037 -0.073 0.000 1.012 348 A CB -2.419 16.500 19.000 -0.134 0.000 1.147 348 A HN 0.441 nan 8.150 nan 0.000 0.861 349 M N -0.840 118.746 119.600 -0.024 0.000 3.075 349 M HA 0.207 4.687 4.480 -0.001 0.000 0.340 349 M C 1.123 177.492 176.300 0.115 0.000 1.329 349 M CA -0.001 55.291 55.300 -0.014 0.000 0.778 349 M CB 0.020 32.547 32.600 -0.121 0.000 1.389 349 M HN 0.552 nan 8.290 nan 0.000 0.499 350 R N 1.332 121.927 120.500 0.159 0.000 2.080 350 R HA -0.158 4.181 4.340 -0.001 0.000 0.236 350 R C 1.543 177.951 176.300 0.181 0.000 1.137 350 R CA 2.111 58.348 56.100 0.229 0.000 0.943 350 R CB 0.348 30.794 30.300 0.243 0.000 0.846 350 R HN 0.357 nan 8.270 nan 0.000 0.431 351 E N -0.395 119.884 120.200 0.131 0.000 2.031 351 E HA -0.146 4.203 4.350 -0.001 0.000 0.193 351 E C 2.072 178.774 176.600 0.170 0.000 0.994 351 E CA 1.460 57.933 56.400 0.122 0.000 0.800 351 E CB -0.865 28.883 29.700 0.081 0.000 0.752 351 E HN 0.598 nan 8.360 nan 0.000 0.447 352 G N 0.903 109.817 108.800 0.190 0.000 2.485 352 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.221 352 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.221 352 G C 1.534 176.685 174.900 0.418 0.000 1.115 352 G CA 1.088 46.382 45.100 0.323 0.000 0.751 352 G HN 0.249 nan 8.290 nan 0.000 0.567 353 S N -0.463 115.460 115.700 0.372 0.000 2.557 353 S HA 0.398 4.868 4.470 -0.001 0.000 0.223 353 S C 1.482 176.333 174.600 0.417 0.000 0.969 353 S CA 0.485 58.937 58.200 0.419 0.000 0.927 353 S CB 0.448 63.893 63.200 0.407 0.000 0.806 353 S HN 1.190 nan 8.310 nan 0.000 0.489 354 G N 1.732 110.705 108.800 0.289 0.000 2.198 354 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.257 354 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.257 354 G C 0.273 175.290 174.900 0.195 0.000 1.042 354 G CA 0.063 45.290 45.100 0.212 0.000 0.791 354 G HN 0.526 nan 8.290 nan 0.000 0.502 355 L N -0.035 121.319 121.223 0.218 0.000 2.741 355 L HA 0.191 4.530 4.340 -0.001 0.000 0.237 355 L C 2.306 179.250 176.870 0.124 0.000 1.178 355 L CA -0.337 54.630 54.840 0.212 0.000 0.973 355 L CB 0.335 42.570 42.059 0.294 0.000 1.255 355 L HN 0.213 nan 8.230 nan 0.000 0.498 356 V N 0.191 120.156 119.914 0.084 0.000 2.229 356 V HA -0.273 3.846 4.120 -0.001 0.000 0.243 356 V C 2.429 178.517 176.094 -0.011 0.000 1.042 356 V CA 2.187 64.496 62.300 0.016 0.000 1.000 356 V CB -0.284 31.558 31.823 0.033 0.000 0.637 356 V HN 0.562 nan 8.190 nan 0.000 0.446 357 E N 0.140 120.353 120.200 0.022 0.000 2.085 357 E HA -0.304 4.045 4.350 -0.001 0.000 0.194 357 E C 2.030 178.623 176.600 -0.011 0.000 0.994 357 E CA 1.947 58.343 56.400 -0.006 0.000 0.801 357 E CB -0.443 29.265 29.700 0.013 0.000 0.743 357 E HN 0.518 nan 8.360 nan 0.000 0.453 358 F N 1.344 121.268 119.950 -0.044 0.000 2.126 358 F HA -0.241 4.285 4.527 -0.001 0.000 0.299 358 F C 2.365 178.110 175.800 -0.091 0.000 1.096 358 F CA 1.986 59.991 58.000 0.009 0.000 1.255 358 F CB -0.341 38.684 39.000 0.042 0.000 0.997 358 F HN 0.188 nan 8.300 nan 0.000 0.479 359 S N -0.212 115.427 115.700 -0.102 0.000 2.428 359 S HA -0.116 4.353 4.470 -0.001 0.000 0.230 359 S C 1.908 176.311 174.600 -0.328 0.000 1.014 359 S CA 0.836 58.747 58.200 -0.481 0.000 0.957 359 S CB -0.473 62.180 63.200 -0.911 0.000 0.784 359 S HN 0.474 nan 8.310 nan 0.000 0.499 360 R N 0.261 120.611 120.500 -0.251 0.000 2.140 360 R HA 0.248 4.587 4.340 -0.001 0.000 0.213 360 R C 1.886 178.008 176.300 -0.297 0.000 1.059 360 R CA 0.805 56.772 56.100 -0.222 0.000 1.000 360 R CB -0.180 30.029 30.300 -0.152 0.000 0.910 360 R HN 0.323 nan 8.270 nan 0.000 0.455 361 V N -0.243 119.431 119.914 -0.400 0.000 2.878 361 V HA -0.066 4.053 4.120 -0.001 0.000 0.250 361 V C -0.009 175.513 176.094 -0.953 0.000 1.075 361 V CA 1.119 63.051 62.300 -0.613 0.000 1.096 361 V CB -0.239 31.214 31.823 -0.617 0.000 0.724 361 V HN 0.328 nan 8.190 nan 0.000 0.467 362 H N -0.488 118.248 119.070 -0.557 0.000 2.439 362 H HA 0.258 4.813 4.556 -0.001 0.000 0.228 362 H C -1.949 173.149 175.328 -0.384 0.000 1.423 362 H CA -1.539 54.199 56.048 -0.516 0.000 1.386 362 H CB 0.473 29.811 29.762 -0.707 0.000 1.641 362 H HN 0.132 nan 8.280 nan 0.000 0.508 363 P HA -0.223 nan 4.420 nan 0.000 0.219 363 P C 0.813 178.075 177.300 -0.064 0.000 1.146 363 P CA 1.367 64.359 63.100 -0.180 0.000 0.808 363 P CB 0.435 31.952 31.700 -0.305 0.000 0.779 364 H N -0.544 118.525 119.070 -0.001 0.000 2.547 364 H HA 0.182 4.738 4.556 -0.001 0.000 0.266 364 H C 1.137 176.390 175.328 -0.125 0.000 0.988 364 H CA 0.559 56.611 56.048 0.007 0.000 1.147 364 H CB 0.112 29.889 29.762 0.025 0.000 1.365 364 H HN 0.158 nan 8.280 nan 0.000 0.589 365 R N -0.299 120.084 120.500 -0.195 0.000 2.615 365 R HA 0.095 4.435 4.340 -0.001 0.000 0.448 365 R C -0.918 174.997 176.300 -0.643 0.000 1.009 365 R CA -0.295 55.305 56.100 -0.835 0.000 1.111 365 R CB 0.451 30.546 30.300 -0.343 0.000 1.461 365 R HN 0.130 nan 8.270 nan 0.000 0.587 366 Y N 0.602 120.706 120.300 -0.326 0.000 2.499 366 Y HA 0.635 5.185 4.550 -0.001 0.000 0.347 366 Y C -1.619 174.375 175.900 0.157 0.000 0.987 366 Y CA -1.574 56.582 58.100 0.094 0.000 1.044 366 Y CB 1.802 40.424 38.460 0.270 0.000 1.245 366 Y HN 0.007 nan 8.280 nan 0.000 0.461 367 L N 5.487 126.303 121.223 -0.677 0.000 2.588 367 L HA 0.413 4.753 4.340 -0.001 0.000 0.263 367 L C -2.226 174.327 176.870 -0.528 0.000 0.935 367 L CA -0.366 54.247 54.840 -0.377 0.000 0.891 367 L CB 1.934 44.055 42.059 0.103 0.000 1.318 367 L HN 0.741 nan 8.230 nan 0.000 0.409 368 D N 3.507 123.705 120.400 -0.338 0.000 2.427 368 D HA 0.300 4.939 4.640 -0.001 0.000 0.226 368 D C 0.728 176.990 176.300 -0.062 0.000 1.076 368 D CA -0.115 53.792 54.000 -0.154 0.000 0.849 368 D CB 1.814 42.615 40.800 0.001 0.000 1.052 368 D HN 0.465 nan 8.370 nan 0.000 0.515 369 V N 1.984 121.864 119.914 -0.057 0.000 3.620 369 V HA 0.475 4.594 4.120 -0.001 0.000 0.286 369 V C 1.115 177.191 176.094 -0.031 0.000 1.288 369 V CA 0.503 62.781 62.300 -0.037 0.000 1.178 369 V CB -0.877 30.925 31.823 -0.035 0.000 0.986 369 V HN 0.712 nan 8.190 nan 0.000 0.431 370 G N 1.204 109.986 108.800 -0.029 0.000 2.632 370 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.224 370 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.224 370 G C -0.198 174.660 174.900 -0.070 0.000 1.341 370 G CA -0.245 44.836 45.100 -0.032 0.000 0.880 370 G HN 0.645 nan 8.290 nan 0.000 0.566 371 I N 1.603 122.123 120.570 -0.083 0.000 2.528 371 I HA 0.431 4.601 4.170 -0.001 0.000 0.276 371 I C 1.169 177.214 176.117 -0.120 0.000 1.056 371 I CA 0.867 62.078 61.300 -0.148 0.000 1.858 371 I CB -0.562 37.336 38.000 -0.170 0.000 1.448 371 I HN 0.849 nan 8.210 nan 0.000 0.776 372 A N 1.933 124.699 122.820 -0.091 0.000 3.355 372 A HA 0.401 4.720 4.320 -0.001 0.000 0.290 372 A C 0.892 178.453 177.584 -0.039 0.000 0.973 372 A CA -0.470 51.533 52.037 -0.056 0.000 0.933 372 A CB 0.105 19.082 19.000 -0.037 0.000 1.138 372 A HN 0.362 nan 8.150 nan 0.000 0.490 373 E N 0.529 120.704 120.200 -0.041 0.000 2.130 373 E HA -0.238 4.111 4.350 -0.001 0.000 0.196 373 E C 1.398 178.015 176.600 0.029 0.000 0.998 373 E CA 2.119 58.522 56.400 0.006 0.000 0.806 373 E CB -0.067 29.649 29.700 0.027 0.000 0.738 373 E HN 0.782 nan 8.360 nan 0.000 0.459 374 E N -0.189 120.019 120.200 0.013 0.000 2.097 374 E HA -0.175 4.174 4.350 -0.001 0.000 0.196 374 E C 2.047 178.655 176.600 0.014 0.000 1.000 374 E CA 1.321 57.732 56.400 0.017 0.000 0.804 374 E CB -0.253 29.448 29.700 0.001 0.000 0.740 374 E HN 0.095 nan 8.360 nan 0.000 0.454 375 V N 0.812 120.725 119.914 -0.001 0.000 2.453 375 V HA -0.215 3.905 4.120 -0.001 0.000 0.247 375 V C 2.180 178.270 176.094 -0.008 0.000 1.048 375 V CA 1.509 63.804 62.300 -0.009 0.000 1.049 375 V CB -0.817 30.995 31.823 -0.018 0.000 0.672 375 V HN 0.362 nan 8.190 nan 0.000 0.457 376 A N 0.234 123.053 122.820 -0.002 0.000 1.859 376 A HA -0.215 4.104 4.320 -0.001 0.000 0.217 376 A C 2.410 179.997 177.584 0.006 0.000 1.198 376 A CA 2.534 54.571 52.037 -0.001 0.000 0.629 376 A CB -0.915 18.093 19.000 0.014 0.000 0.830 376 A HN 0.319 nan 8.150 nan 0.000 0.446 377 V N -0.338 119.607 119.914 0.051 0.000 2.295 377 V HA -0.212 3.907 4.120 -0.001 0.000 0.246 377 V C 2.649 178.772 176.094 0.049 0.000 1.049 377 V CA 2.467 64.820 62.300 0.088 0.000 1.024 377 V CB -1.177 30.765 31.823 0.197 0.000 0.648 377 V HN 0.644 nan 8.190 nan 0.000 0.447 378 T N -1.238 113.338 114.554 0.037 0.000 3.067 378 T HA -0.086 4.263 4.350 -0.001 0.000 0.261 378 T C 1.861 176.556 174.700 -0.010 0.000 1.110 378 T CA 1.349 63.463 62.100 0.024 0.000 1.113 378 T CB -0.138 68.747 68.868 0.028 0.000 0.917 378 T HN 0.502 nan 8.240 nan 0.000 0.499 379 T N 2.032 116.570 114.554 -0.028 0.000 2.812 379 T HA 0.059 4.408 4.350 -0.001 0.000 0.264 379 T C 2.490 177.136 174.700 -0.091 0.000 1.042 379 T CA 1.007 63.071 62.100 -0.061 0.000 1.140 379 T CB -0.448 68.381 68.868 -0.065 0.000 0.870 379 T HN 0.424 nan 8.240 nan 0.000 0.445 380 A N 1.732 124.503 122.820 -0.081 0.000 1.908 380 A HA 0.042 4.362 4.320 -0.001 0.000 0.218 380 A C 2.664 180.203 177.584 -0.075 0.000 1.181 380 A CA 2.009 53.988 52.037 -0.098 0.000 0.627 380 A CB -1.233 17.694 19.000 -0.122 0.000 0.818 380 A HN 0.506 nan 8.150 nan 0.000 0.445 381 A N -0.554 122.243 122.820 -0.039 0.000 1.917 381 A HA 0.007 4.326 4.320 -0.001 0.000 0.219 381 A C 2.431 179.997 177.584 -0.031 0.000 1.182 381 A CA 2.246 54.273 52.037 -0.016 0.000 0.633 381 A CB -1.467 17.544 19.000 0.017 0.000 0.819 381 A HN 0.800 nan 8.150 nan 0.000 0.448 382 G N -0.846 107.926 108.800 -0.046 0.000 2.421 382 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.216 382 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.216 382 G C 1.647 176.502 174.900 -0.074 0.000 1.171 382 G CA 1.184 46.251 45.100 -0.055 0.000 0.775 382 G HN 0.479 nan 8.290 nan 0.000 0.543 383 M N 0.889 120.420 119.600 -0.114 0.000 2.108 383 M HA -0.023 4.457 4.480 -0.001 0.000 0.261 383 M C 2.995 179.252 176.300 -0.071 0.000 1.066 383 M CA 1.484 56.703 55.300 -0.135 0.000 1.107 383 M CB -0.211 32.254 32.600 -0.226 0.000 1.356 383 M HN 0.314 nan 8.290 nan 0.000 0.406 384 A N 0.078 122.867 122.820 -0.052 0.000 1.898 384 A HA -0.108 4.212 4.320 -0.001 0.000 0.216 384 A C 1.986 179.560 177.584 -0.016 0.000 1.181 384 A CA 1.138 53.161 52.037 -0.023 0.000 0.620 384 A CB -0.667 18.322 19.000 -0.018 0.000 0.819 384 A HN 0.344 nan 8.150 nan 0.000 0.442 385 L N -0.530 120.681 121.223 -0.021 0.000 2.187 385 L HA -0.125 4.214 4.340 -0.001 0.000 0.213 385 L C 1.728 178.588 176.870 -0.016 0.000 1.100 385 L CA 1.580 56.411 54.840 -0.015 0.000 0.765 385 L CB -0.718 41.331 42.059 -0.017 0.000 0.904 385 L HN 0.382 nan 8.230 nan 0.000 0.437 386 Q N -0.903 118.882 119.800 -0.024 0.000 2.211 386 Q HA 0.274 4.614 4.340 -0.001 0.000 0.231 386 Q C 1.205 177.198 176.000 -0.013 0.000 0.865 386 Q CA 0.556 56.346 55.803 -0.022 0.000 0.997 386 Q CB 0.137 28.855 28.738 -0.033 0.000 1.101 386 Q HN 0.528 nan 8.270 nan 0.000 0.468 387 G N 0.143 108.940 108.800 -0.006 0.000 2.176 387 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.253 387 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.253 387 G C 0.431 175.341 174.900 0.017 0.000 0.979 387 G CA 0.134 45.236 45.100 0.005 0.000 0.641 387 G HN 0.202 nan 8.290 nan 0.000 0.530 388 M N -0.394 119.215 119.600 0.015 0.000 2.163 388 M HA 0.474 4.953 4.480 -0.001 0.000 0.305 388 M C 1.004 177.336 176.300 0.055 0.000 1.166 388 M CA -0.093 55.234 55.300 0.044 0.000 1.132 388 M CB 0.294 32.908 32.600 0.023 0.000 1.413 388 M HN 0.007 nan 8.290 nan 0.000 0.478 389 R N 1.706 122.266 120.500 0.099 0.000 2.868 389 R HA 0.330 4.669 4.340 -0.001 0.000 0.289 389 R C -2.471 173.898 176.300 0.115 0.000 1.443 389 R CA -1.554 54.607 56.100 0.102 0.000 1.651 389 R CB 0.015 30.400 30.300 0.142 0.000 1.242 389 R HN 0.369 nan 8.270 nan 0.000 0.621 390 P HA 0.052 nan 4.420 nan 0.000 0.271 390 P C -0.090 177.220 177.300 0.016 0.000 1.216 390 P CA -0.064 63.079 63.100 0.072 0.000 0.771 390 P CB 1.348 33.038 31.700 -0.018 0.000 0.864 391 V N 4.917 124.859 119.914 0.046 0.000 2.357 391 V HA 0.123 4.242 4.120 -0.001 0.000 0.284 391 V C 0.424 176.496 176.094 -0.037 0.000 1.018 391 V CA -0.757 61.545 62.300 0.003 0.000 0.841 391 V CB 1.859 33.746 31.823 0.107 0.000 0.991 391 V HN 0.267 nan 8.190 nan 0.000 0.437 392 V N 5.153 124.948 119.914 -0.198 0.000 2.408 392 V HA 0.530 4.649 4.120 -0.001 0.000 0.267 392 V C 0.699 176.766 176.094 -0.045 0.000 1.047 392 V CA -0.205 61.995 62.300 -0.168 0.000 0.937 392 V CB 1.316 32.920 31.823 -0.364 0.000 0.999 392 V HN 0.940 nan 8.190 nan 0.000 0.472 393 A N 7.099 129.936 122.820 0.029 0.000 2.249 393 A HA 0.834 5.153 4.320 -0.001 0.000 0.314 393 A C -0.630 177.011 177.584 0.095 0.000 1.290 393 A CA -0.342 51.712 52.037 0.029 0.000 0.893 393 A CB 0.323 19.404 19.000 0.135 0.000 1.165 393 A HN 0.861 nan 8.150 nan 0.000 0.530 394 I N 2.005 122.643 120.570 0.114 0.000 2.680 394 I HA 0.385 4.554 4.170 -0.001 0.000 0.291 394 I C -1.420 174.858 176.117 0.268 0.000 1.244 394 I CA -0.744 60.682 61.300 0.211 0.000 1.042 394 I CB 1.270 39.404 38.000 0.223 0.000 1.277 394 I HN 0.625 nan 8.210 nan 0.000 0.423 395 Y N 4.674 125.023 120.300 0.082 0.000 2.578 395 Y HA 0.017 4.566 4.550 -0.001 0.000 0.339 395 Y C 1.740 177.593 175.900 -0.078 0.000 1.231 395 Y CA 0.477 58.550 58.100 -0.046 0.000 1.461 395 Y CB 0.833 39.220 38.460 -0.122 0.000 1.323 395 Y HN 0.706 nan 8.280 nan 0.000 0.590 396 S N 1.408 117.109 115.700 0.002 0.000 2.380 396 S HA -0.263 4.206 4.470 -0.001 0.000 0.229 396 S C 2.033 176.681 174.600 0.079 0.000 1.050 396 S CA 2.563 60.783 58.200 0.033 0.000 1.100 396 S CB -0.565 62.614 63.200 -0.035 0.000 0.984 396 S HN 0.934 nan 8.310 nan 0.000 0.434 397 T N -0.946 113.556 114.554 -0.087 0.000 2.881 397 T HA -0.031 4.318 4.350 -0.001 0.000 0.270 397 T C 1.448 176.092 174.700 -0.092 0.000 1.068 397 T CA 1.263 63.331 62.100 -0.053 0.000 1.131 397 T CB -0.679 68.158 68.868 -0.051 0.000 0.871 397 T HN 0.410 nan 8.240 nan 0.000 0.479 398 F N 0.900 120.850 119.950 -0.000 0.000 2.293 398 F HA 0.332 4.858 4.527 -0.001 0.000 0.297 398 F C 2.020 177.810 175.800 -0.017 0.000 1.089 398 F CA -0.990 56.922 58.000 -0.147 0.000 1.377 398 F CB -1.194 37.694 39.000 -0.187 0.000 1.051 398 F HN 0.112 nan 8.300 nan 0.000 0.511 399 L N 0.565 121.924 121.223 0.226 0.000 2.187 399 L HA -0.232 4.108 4.340 -0.001 0.000 0.213 399 L C 2.177 179.128 176.870 0.135 0.000 1.100 399 L CA 1.687 56.664 54.840 0.230 0.000 0.765 399 L CB -0.904 41.336 42.059 0.302 0.000 0.904 399 L HN 0.208 nan 8.230 nan 0.000 0.437 400 Q N -0.965 118.880 119.800 0.075 0.000 2.077 400 Q HA -0.237 4.102 4.340 -0.001 0.000 0.206 400 Q C 2.142 178.084 176.000 -0.097 0.000 0.989 400 Q CA 1.597 57.289 55.803 -0.186 0.000 0.853 400 Q CB -0.316 28.389 28.738 -0.056 0.000 0.907 400 Q HN 0.418 nan 8.270 nan 0.000 0.418 401 R N -0.139 120.375 120.500 0.023 0.000 2.261 401 R HA -0.095 4.244 4.340 -0.001 0.000 0.236 401 R C 1.061 177.379 176.300 0.030 0.000 1.141 401 R CA 1.186 57.303 56.100 0.029 0.000 1.001 401 R CB -0.152 30.165 30.300 0.027 0.000 0.866 401 R HN 0.206 nan 8.270 nan 0.000 0.468 402 A N -0.811 122.038 122.820 0.049 0.000 2.594 402 A HA 0.057 4.377 4.320 -0.001 0.000 0.287 402 A C 1.073 178.697 177.584 0.066 0.000 1.227 402 A CA -0.563 51.514 52.037 0.068 0.000 0.952 402 A CB -0.193 18.875 19.000 0.113 0.000 1.161 402 A HN 0.265 nan 8.150 nan 0.000 0.524 403 Y N 1.179 121.406 120.300 -0.121 0.000 2.040 403 Y HA -0.333 4.216 4.550 -0.002 0.000 0.275 403 Y C 1.846 177.722 175.900 -0.039 0.000 1.171 403 Y CA 2.615 60.629 58.100 -0.144 0.000 1.123 403 Y CB -0.286 38.007 38.460 -0.278 0.000 0.963 403 Y HN 0.475 nan 8.280 nan 0.000 0.493 404 D N -0.986 119.340 120.400 -0.123 0.000 2.144 404 D HA -0.194 4.446 4.640 -0.001 0.000 0.199 404 D C 1.929 178.172 176.300 -0.096 0.000 0.984 404 D CA 1.504 55.396 54.000 -0.179 0.000 0.834 404 D CB -0.088 40.672 40.800 -0.067 0.000 0.955 404 D HN 0.426 nan 8.370 nan 0.000 0.465 405 Q N -0.345 119.438 119.800 -0.029 0.000 2.084 405 Q HA -0.086 4.254 4.340 -0.001 0.000 0.202 405 Q C 2.346 178.380 176.000 0.056 0.000 0.978 405 Q CA 1.036 56.858 55.803 0.032 0.000 0.844 405 Q CB -0.371 28.401 28.738 0.057 0.000 0.898 405 Q HN 0.245 nan 8.270 nan 0.000 0.426 406 V N 0.505 120.433 119.914 0.024 0.000 2.261 406 V HA -0.254 3.865 4.120 -0.001 0.000 0.246 406 V C 2.104 178.165 176.094 -0.054 0.000 1.047 406 V CA 1.799 64.103 62.300 0.007 0.000 1.015 406 V CB -0.721 31.047 31.823 -0.091 0.000 0.642 406 V HN 0.350 nan 8.190 nan 0.000 0.446 407 L N -0.761 120.358 121.223 -0.173 0.000 1.976 407 L HA -0.204 4.136 4.340 -0.001 0.000 0.209 407 L C 2.738 179.582 176.870 -0.042 0.000 1.071 407 L CA 2.189 56.926 54.840 -0.172 0.000 0.746 407 L CB -0.539 41.304 42.059 -0.360 0.000 0.890 407 L HN 0.488 nan 8.230 nan 0.000 0.432 408 H N -0.862 118.144 119.070 -0.107 0.000 2.355 408 H HA -0.085 4.470 4.556 -0.001 0.000 0.303 408 H C 1.357 176.668 175.328 -0.029 0.000 1.061 408 H CA 1.562 57.574 56.048 -0.060 0.000 1.368 408 H CB 0.233 29.961 29.762 -0.057 0.000 1.412 408 H HN 0.401 nan 8.280 nan 0.000 0.523 409 D N -0.012 120.502 120.400 0.191 0.000 2.305 409 D HA -0.000 4.639 4.640 -0.001 0.000 0.206 409 D C 2.032 178.364 176.300 0.053 0.000 0.974 409 D CA 0.419 54.500 54.000 0.134 0.000 0.871 409 D CB 0.804 41.696 40.800 0.154 0.000 0.947 409 D HN 0.249 nan 8.370 nan 0.000 0.516 410 V N 0.524 120.472 119.914 0.057 0.000 2.854 410 V HA 0.160 4.279 4.120 -0.001 0.000 0.236 410 V C 2.239 178.351 176.094 0.030 0.000 1.157 410 V CA 0.965 63.303 62.300 0.064 0.000 1.187 410 V CB -0.134 31.782 31.823 0.155 0.000 0.949 410 V HN 0.084 nan 8.190 nan 0.000 0.488 411 A N 0.010 122.839 122.820 0.014 0.000 1.970 411 A HA -0.009 4.310 4.320 -0.001 0.000 0.216 411 A C 2.105 179.701 177.584 0.021 0.000 1.170 411 A CA 1.189 53.234 52.037 0.013 0.000 0.645 411 A CB -0.448 18.546 19.000 -0.009 0.000 0.816 411 A HN 0.461 nan 8.150 nan 0.000 0.447 412 I N -0.310 120.242 120.570 -0.029 0.000 2.163 412 I HA -0.184 3.985 4.170 -0.001 0.000 0.243 412 I C 1.573 177.678 176.117 -0.020 0.000 1.085 412 I CA 1.252 62.520 61.300 -0.053 0.000 1.347 412 I CB -0.210 37.706 38.000 -0.140 0.000 1.044 412 I HN 0.250 nan 8.210 nan 0.000 0.408 413 E N -0.485 119.710 120.200 -0.008 0.000 2.419 413 E HA -0.030 4.320 4.350 -0.001 0.000 0.190 413 E C -0.244 176.415 176.600 0.099 0.000 1.040 413 E CA -0.168 56.244 56.400 0.020 0.000 0.900 413 E CB -0.263 29.433 29.700 -0.006 0.000 1.054 413 E HN 0.345 nan 8.360 nan 0.000 0.462 414 H N -0.135 118.915 119.070 -0.034 0.000 2.791 414 H HA -0.178 4.377 4.556 -0.001 0.000 0.302 414 H C -0.314 175.009 175.328 -0.008 0.000 1.198 414 H CA 0.177 56.206 56.048 -0.031 0.000 1.145 414 H CB -1.961 27.779 29.762 -0.036 0.000 1.385 414 H HN 0.151 nan 8.280 nan 0.000 0.409 415 L N -0.143 121.070 121.223 -0.016 0.000 2.482 415 L HA -0.022 4.317 4.340 -0.001 0.000 0.273 415 L C 1.184 178.025 176.870 -0.049 0.000 1.228 415 L CA 0.674 55.503 54.840 -0.020 0.000 0.827 415 L CB 0.154 42.214 42.059 0.002 0.000 1.099 415 L HN 0.412 nan 8.230 nan 0.000 0.494 416 N N 0.738 119.430 118.700 -0.013 0.000 3.050 416 N HA 0.188 4.928 4.740 -0.001 0.000 0.289 416 N C -1.217 174.301 175.510 0.014 0.000 1.209 416 N CA -0.269 52.790 53.050 0.014 0.000 1.154 416 N CB 0.292 38.795 38.487 0.027 0.000 1.444 416 N HN 0.193 nan 8.380 nan 0.000 0.529 417 V N 1.206 121.129 119.914 0.016 0.000 2.407 417 V HA 0.245 4.365 4.120 -0.001 0.000 0.291 417 V C 0.308 176.387 176.094 -0.024 0.000 1.018 417 V CA -0.748 61.511 62.300 -0.067 0.000 0.842 417 V CB 1.691 33.418 31.823 -0.160 0.000 0.996 417 V HN 0.276 nan 8.190 nan 0.000 0.426 418 T N 6.057 120.586 114.554 -0.042 0.000 2.749 418 T HA 0.536 4.885 4.350 -0.001 0.000 0.295 418 T C -0.448 174.201 174.700 -0.085 0.000 0.936 418 T CA 0.171 62.316 62.100 0.075 0.000 1.060 418 T CB 0.025 68.946 68.868 0.089 0.000 0.904 418 T HN 0.297 nan 8.240 nan 0.000 0.500 419 F N 1.999 122.019 119.950 0.117 0.000 2.405 419 F HA 0.365 4.892 4.527 -0.001 0.000 0.355 419 F C 0.500 176.328 175.800 0.046 0.000 1.121 419 F CA -1.005 57.039 58.000 0.074 0.000 1.112 419 F CB 0.598 39.640 39.000 0.070 0.000 1.126 419 F HN 0.422 nan 8.300 nan 0.000 0.481 420 C N 5.874 125.219 119.300 0.075 0.000 2.251 420 C HA 0.561 5.020 4.460 -0.001 0.000 0.323 420 C C 0.272 175.141 174.990 -0.201 0.000 1.241 420 C CA -1.056 57.916 59.018 -0.078 0.000 1.601 420 C CB -0.877 26.597 27.740 -0.443 0.000 2.251 420 C HN 0.592 nan 8.230 nan 0.000 0.488 421 I N 3.682 124.072 120.570 -0.300 0.000 2.307 421 I HA 0.257 4.426 4.170 -0.001 0.000 0.289 421 I C 0.145 175.737 176.117 -0.875 0.000 1.021 421 I CA 0.318 61.397 61.300 -0.368 0.000 1.224 421 I CB 0.460 38.345 38.000 -0.192 0.000 1.376 421 I HN 0.577 nan 8.210 nan 0.000 0.470 422 D N 4.995 124.988 120.400 -0.678 0.000 2.387 422 D HA 0.327 4.967 4.640 -0.001 0.000 0.255 422 D C 0.266 176.194 176.300 -0.619 0.000 1.081 422 D CA -0.443 53.103 54.000 -0.758 0.000 0.994 422 D CB 1.131 41.708 40.800 -0.373 0.000 1.127 422 D HN 0.251 nan 8.370 nan 0.000 0.513 423 R N -0.429 119.733 120.500 -0.562 0.000 3.333 423 R HA -0.163 4.177 4.340 -0.001 0.000 0.256 423 R C -0.733 175.393 176.300 -0.290 0.000 1.010 423 R CA 0.696 56.541 56.100 -0.425 0.000 0.680 423 R CB -2.074 27.884 30.300 -0.571 0.000 1.102 423 R HN 0.369 nan 8.270 nan 0.000 0.440 424 A N 0.308 122.945 122.820 -0.305 0.000 2.363 424 A HA 0.693 5.012 4.320 -0.001 0.000 0.270 424 A C 1.291 178.770 177.584 -0.174 0.000 1.121 424 A CA 0.607 52.498 52.037 -0.243 0.000 0.800 424 A CB 0.658 19.479 19.000 -0.299 0.000 1.052 424 A HN 1.189 nan 8.150 nan 0.000 0.493 425 G N 0.833 109.555 108.800 -0.131 0.000 2.627 425 G HA2 0.018 3.977 3.960 -0.001 0.000 0.214 425 G HA3 0.018 3.977 3.960 -0.001 0.000 0.214 425 G C -0.330 174.551 174.900 -0.032 0.000 1.331 425 G CA -0.306 44.749 45.100 -0.075 0.000 0.891 425 G HN 1.078 nan 8.290 nan 0.000 0.539 426 I N 0.632 121.221 120.570 0.033 0.000 2.710 426 I HA 0.259 4.429 4.170 -0.001 0.000 0.286 426 I C 1.841 177.948 176.117 -0.018 0.000 1.181 426 I CA 1.181 62.480 61.300 -0.001 0.000 1.430 426 I CB 1.535 39.496 38.000 -0.065 0.000 1.367 426 I HN 1.151 nan 8.210 nan 0.000 0.577 427 V N 3.427 123.346 119.914 0.010 0.000 3.661 427 V HA 0.602 4.721 4.120 -0.001 0.000 0.271 427 V C 1.076 177.188 176.094 0.029 0.000 1.315 427 V CA 0.837 63.148 62.300 0.019 0.000 1.072 427 V CB -0.404 31.454 31.823 0.059 0.000 0.830 427 V HN 1.100 nan 8.190 nan 0.000 0.443 428 G N 1.091 109.907 108.800 0.027 0.000 3.298 428 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.260 428 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.260 428 G C 1.251 176.198 174.900 0.079 0.000 1.681 428 G CA 0.713 45.830 45.100 0.027 0.000 1.094 428 G HN 1.468 nan 8.290 nan 0.000 0.575 429 A N -0.018 122.844 122.820 0.069 0.000 1.969 429 A HA 0.169 4.488 4.320 -0.001 0.000 0.218 429 A C 1.826 179.464 177.584 0.090 0.000 1.169 429 A CA 2.407 54.491 52.037 0.079 0.000 0.635 429 A CB -0.472 18.543 19.000 0.025 0.000 0.810 429 A HN 0.544 nan 8.150 nan 0.000 0.445 430 D N -0.501 119.955 120.400 0.093 0.000 2.310 430 D HA 0.237 4.876 4.640 -0.001 0.000 0.212 430 D C 1.458 177.927 176.300 0.281 0.000 0.965 430 D CA 1.205 55.285 54.000 0.134 0.000 0.879 430 D CB -0.301 40.439 40.800 -0.101 0.000 0.921 430 D HN 0.610 nan 8.370 nan 0.000 0.510 431 G N 0.700 109.656 108.800 0.260 0.000 2.598 431 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.244 431 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.244 431 G C 1.177 176.246 174.900 0.282 0.000 1.302 431 G CA 0.803 46.080 45.100 0.294 0.000 0.903 431 G HN 0.407 nan 8.290 nan 0.000 0.575 432 A N -1.376 121.587 122.820 0.239 0.000 1.903 432 A HA -0.062 4.258 4.320 -0.001 0.000 0.219 432 A C 2.804 180.464 177.584 0.126 0.000 1.191 432 A CA 4.107 56.245 52.037 0.168 0.000 0.638 432 A CB -1.536 17.456 19.000 -0.013 0.000 0.823 432 A HN 2.437 nan 8.150 nan 0.000 0.451 433 T N -4.016 110.614 114.554 0.127 0.000 2.977 433 T HA -0.141 4.208 4.350 -0.001 0.000 0.271 433 T C 1.275 176.048 174.700 0.122 0.000 1.105 433 T CA 1.940 64.066 62.100 0.043 0.000 1.116 433 T CB -0.394 68.513 68.868 0.065 0.000 0.878 433 T HN 0.663 nan 8.240 nan 0.000 0.509 434 H N -0.146 119.010 119.070 0.144 0.000 3.170 434 H HA 0.382 4.937 4.556 -0.001 0.000 0.264 434 H C 0.027 175.417 175.328 0.104 0.000 1.113 434 H CA -1.012 55.117 56.048 0.135 0.000 1.194 434 H CB -0.025 29.842 29.762 0.174 0.000 1.553 434 H HN 0.392 nan 8.280 nan 0.000 0.538 435 N N 1.303 120.149 118.700 0.244 0.000 2.416 435 N HA 0.100 4.840 4.740 -0.001 0.000 0.271 435 N C 0.584 176.158 175.510 0.107 0.000 1.245 435 N CA -0.032 53.107 53.050 0.148 0.000 0.940 435 N CB 0.786 39.352 38.487 0.132 0.000 1.175 435 N HN 0.334 nan 8.380 nan 0.000 0.483 436 G N 1.855 110.676 108.800 0.035 0.000 3.102 436 G HA2 0.126 4.085 3.960 -0.001 0.000 0.264 436 G HA3 0.126 4.085 3.960 -0.001 0.000 0.264 436 G C 0.565 175.424 174.900 -0.067 0.000 0.788 436 G CA -0.264 44.844 45.100 0.014 0.000 2.029 436 G HN 0.467 nan 8.290 nan 0.000 0.608 437 V N 0.618 120.430 119.914 -0.170 0.000 3.319 437 V HA 0.290 4.409 4.120 -0.001 0.000 0.317 437 V C 0.824 176.489 176.094 -0.716 0.000 1.411 437 V CA 0.217 62.239 62.300 -0.463 0.000 1.112 437 V CB -0.560 30.933 31.823 -0.549 0.000 1.031 437 V HN 0.564 nan 8.190 nan 0.000 0.448 438 F N -1.213 118.767 119.950 0.050 0.000 2.699 438 F HA 0.251 4.778 4.527 -0.000 0.000 0.295 438 F C 1.632 177.300 175.800 -0.219 0.000 1.052 438 F CA -0.094 57.952 58.000 0.077 0.000 1.239 438 F CB -0.258 38.910 39.000 0.280 0.000 1.018 438 F HN 0.090 nan 8.300 nan 0.000 0.627 439 D N 1.317 121.491 120.400 -0.377 0.000 2.632 439 D HA -0.307 4.332 4.640 -0.001 0.000 0.588 439 D C 1.791 177.718 176.300 -0.621 0.000 0.941 439 D CA 2.857 56.423 54.000 -0.723 0.000 1.653 439 D CB -0.660 39.952 40.800 -0.314 0.000 0.356 439 D HN 0.175 nan 8.370 nan 0.000 0.482 440 L N -0.279 120.769 121.223 -0.292 0.000 2.465 440 L HA -0.021 4.319 4.340 -0.001 0.000 0.224 440 L C 2.195 179.011 176.870 -0.090 0.000 1.145 440 L CA 0.630 55.378 54.840 -0.153 0.000 0.834 440 L CB -0.174 41.842 42.059 -0.072 0.000 0.944 440 L HN 0.084 nan 8.230 nan 0.000 0.451 441 S N 0.476 116.122 115.700 -0.090 0.000 2.355 441 S HA -0.060 4.409 4.470 -0.001 0.000 0.216 441 S C 1.708 176.338 174.600 0.051 0.000 1.037 441 S CA 0.729 58.941 58.200 0.020 0.000 0.955 441 S CB -0.335 62.930 63.200 0.108 0.000 0.877 441 S HN 0.491 nan 8.310 nan 0.000 0.488 442 F N 2.402 122.396 119.950 0.073 0.000 2.206 442 F HA 0.232 4.759 4.527 -0.001 0.000 0.298 442 F C 1.743 177.645 175.800 0.169 0.000 1.090 442 F CA 0.572 58.613 58.000 0.068 0.000 1.323 442 F CB -1.064 37.891 39.000 -0.076 0.000 1.028 442 F HN 0.020 nan 8.300 nan 0.000 0.492 443 L N 0.204 121.342 121.223 -0.140 0.000 2.046 443 L HA -0.109 4.230 4.340 -0.001 0.000 0.208 443 L C 2.886 179.777 176.870 0.034 0.000 1.077 443 L CA 1.376 56.206 54.840 -0.016 0.000 0.747 443 L CB -0.749 41.189 42.059 -0.201 0.000 0.896 443 L HN 0.126 nan 8.230 nan 0.000 0.432 444 R N -0.294 120.213 120.500 0.011 0.000 2.103 444 R HA -0.176 4.163 4.340 -0.001 0.000 0.242 444 R C 2.399 178.742 176.300 0.072 0.000 1.142 444 R CA 1.738 57.866 56.100 0.046 0.000 0.960 444 R CB -0.168 30.161 30.300 0.047 0.000 0.858 444 R HN 0.205 nan 8.270 nan 0.000 0.439 445 S N -0.000 115.766 115.700 0.111 0.000 2.481 445 S HA 0.058 4.527 4.470 -0.001 0.000 0.231 445 S C 0.632 175.296 174.600 0.107 0.000 0.996 445 S CA 0.361 58.633 58.200 0.119 0.000 0.942 445 S CB 0.041 63.345 63.200 0.174 0.000 0.768 445 S HN 0.188 nan 8.310 nan 0.000 0.520 446 I N 3.854 124.485 120.570 0.102 0.000 2.337 446 I HA 0.195 4.365 4.170 -0.001 0.000 0.291 446 I C -2.323 173.808 176.117 0.024 0.000 1.046 446 I CA -2.498 58.833 61.300 0.051 0.000 1.324 446 I CB 0.713 38.729 38.000 0.027 0.000 1.409 446 I HN -0.091 nan 8.210 nan 0.000 0.494 447 P HA -0.035 nan 4.420 nan 0.000 0.261 447 P C 0.892 178.205 177.300 0.021 0.000 1.183 447 P CA 0.711 63.817 63.100 0.010 0.000 0.761 447 P CB 0.629 32.328 31.700 -0.000 0.000 0.785 448 G N 1.780 110.594 108.800 0.022 0.000 2.179 448 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.260 448 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.260 448 G C -0.019 174.872 174.900 -0.015 0.000 0.977 448 G CA -0.088 45.061 45.100 0.082 0.000 0.641 448 G HN 0.534 nan 8.290 nan 0.000 0.533 449 V N 1.319 121.198 119.914 -0.058 0.000 2.368 449 V HA 0.527 4.646 4.120 -0.001 0.000 0.266 449 V C 0.950 176.971 176.094 -0.122 0.000 1.045 449 V CA -0.463 61.764 62.300 -0.122 0.000 0.899 449 V CB 1.026 32.801 31.823 -0.080 0.000 1.006 449 V HN 0.375 nan 8.190 nan 0.000 0.470 450 R N 4.300 124.640 120.500 -0.266 0.000 2.459 450 R HA 0.691 5.030 4.340 -0.001 0.000 0.281 450 R C -0.657 175.790 176.300 0.245 0.000 1.050 450 R CA -0.111 55.932 56.100 -0.095 0.000 1.055 450 R CB 1.023 31.003 30.300 -0.534 0.000 1.045 450 R HN 0.661 nan 8.270 nan 0.000 0.495 451 I N 1.465 122.320 120.570 0.476 0.000 2.478 451 I HA 0.491 4.660 4.170 -0.001 0.000 0.287 451 I C 0.083 176.492 176.117 0.485 0.000 1.042 451 I CA -0.629 60.918 61.300 0.411 0.000 1.067 451 I CB 2.361 40.474 38.000 0.187 0.000 1.233 451 I HN 0.651 nan 8.210 nan 0.000 0.431 452 G N 5.819 114.852 108.800 0.388 0.000 2.574 452 G HA2 0.793 4.753 3.960 -0.001 0.000 0.299 452 G HA3 0.793 4.753 3.960 -0.001 0.000 0.299 452 G C -1.615 173.206 174.900 -0.132 0.000 1.298 452 G CA -0.554 44.544 45.100 -0.004 0.000 0.952 452 G HN 0.273 nan 8.290 nan 0.000 0.477 453 L N 2.561 123.592 121.223 -0.320 0.000 2.342 453 L HA 0.420 4.760 4.340 -0.001 0.000 0.276 453 L C -2.142 174.526 176.870 -0.338 0.000 0.997 453 L CA -1.725 52.933 54.840 -0.303 0.000 0.838 453 L CB 2.112 43.970 42.059 -0.335 0.000 1.224 453 L HN 0.281 nan 8.230 nan 0.000 0.416 454 P HA 0.133 nan 4.420 nan 0.000 0.280 454 P C 0.097 177.356 177.300 -0.069 0.000 1.244 454 P CA -0.559 62.456 63.100 -0.142 0.000 0.784 454 P CB 1.022 32.737 31.700 0.025 0.000 0.913 455 K N 2.492 122.871 120.400 -0.034 0.000 2.211 455 K HA -0.083 4.236 4.320 -0.001 0.000 0.203 455 K C -0.015 176.724 176.600 0.231 0.000 1.050 455 K CA 1.122 57.425 56.287 0.026 0.000 0.945 455 K CB -0.201 32.274 32.500 -0.042 0.000 0.732 455 K HN 0.533 nan 8.250 nan 0.000 0.451 456 D N -2.269 118.313 120.400 0.304 0.000 2.768 456 D HA 0.261 4.900 4.640 -0.001 0.000 0.327 456 D C 0.395 176.733 176.300 0.064 0.000 1.302 456 D CA -0.162 53.926 54.000 0.147 0.000 0.897 456 D CB 0.606 41.394 40.800 -0.020 0.000 1.420 456 D HN -0.101 nan 8.370 nan 0.000 0.494 457 A N 0.108 122.796 122.820 -0.220 0.000 1.902 457 A HA 0.201 4.520 4.320 -0.001 0.000 0.217 457 A C 2.177 179.706 177.584 -0.093 0.000 1.181 457 A CA 2.906 54.833 52.037 -0.183 0.000 0.623 457 A CB -1.414 17.447 19.000 -0.232 0.000 0.818 457 A HN 0.835 nan 8.150 nan 0.000 0.443 458 A N -0.400 122.360 122.820 -0.101 0.000 1.917 458 A HA -0.249 4.070 4.320 -0.001 0.000 0.219 458 A C 2.025 179.592 177.584 -0.028 0.000 1.182 458 A CA 2.036 54.019 52.037 -0.090 0.000 0.633 458 A CB -0.563 18.395 19.000 -0.069 0.000 0.819 458 A HN 0.665 nan 8.150 nan 0.000 0.448 459 E N -0.882 119.324 120.200 0.009 0.000 2.152 459 E HA -0.123 4.227 4.350 -0.001 0.000 0.192 459 E C 1.867 178.504 176.600 0.062 0.000 0.983 459 E CA 0.857 57.272 56.400 0.025 0.000 0.818 459 E CB -0.149 29.544 29.700 -0.012 0.000 0.758 459 E HN 0.486 nan 8.360 nan 0.000 0.467 460 L N 1.367 122.659 121.223 0.115 0.000 1.970 460 L HA -0.202 4.137 4.340 -0.001 0.000 0.212 460 L C 2.136 179.089 176.870 0.138 0.000 1.071 460 L CA 1.902 56.837 54.840 0.159 0.000 0.751 460 L CB -0.606 41.591 42.059 0.229 0.000 0.889 460 L HN -0.031 nan 8.230 nan 0.000 0.432 461 R N -0.250 120.273 120.500 0.039 0.000 2.112 461 R HA -0.189 4.150 4.340 -0.001 0.000 0.242 461 R C 2.243 178.699 176.300 0.260 0.000 1.137 461 R CA 1.738 57.827 56.100 -0.018 0.000 0.944 461 R CB -1.315 28.686 30.300 -0.499 0.000 0.857 461 R HN 0.661 nan 8.270 nan 0.000 0.435 462 G N 0.585 109.509 108.800 0.206 0.000 2.491 462 G HA2 -0.324 3.635 3.960 -0.001 0.000 0.218 462 G HA3 -0.324 3.635 3.960 -0.001 0.000 0.218 462 G C 1.411 176.508 174.900 0.329 0.000 1.180 462 G CA 1.251 46.522 45.100 0.284 0.000 0.774 462 G HN 0.209 nan 8.290 nan 0.000 0.562 463 M N -0.451 119.316 119.600 0.279 0.000 2.108 463 M HA -0.043 4.436 4.480 -0.001 0.000 0.261 463 M C 2.462 179.003 176.300 0.402 0.000 1.066 463 M CA 1.031 56.575 55.300 0.406 0.000 1.107 463 M CB -0.374 32.394 32.600 0.280 0.000 1.356 463 M HN 0.283 nan 8.290 nan 0.000 0.406 464 L N 0.686 122.070 121.223 0.268 0.000 1.970 464 L HA -0.221 4.118 4.340 -0.001 0.000 0.212 464 L C 2.380 179.142 176.870 -0.179 0.000 1.071 464 L CA 2.010 56.913 54.840 0.104 0.000 0.751 464 L CB -0.818 41.346 42.059 0.174 0.000 0.889 464 L HN 0.202 nan 8.230 nan 0.000 0.432 465 K N -1.539 118.799 120.400 -0.103 0.000 2.000 465 K HA -0.329 3.990 4.320 -0.001 0.000 0.218 465 K C 2.285 178.848 176.600 -0.062 0.000 1.053 465 K CA 2.500 58.609 56.287 -0.297 0.000 0.946 465 K CB -0.781 31.877 32.500 0.264 0.000 0.723 465 K HN 0.405 nan 8.250 nan 0.000 0.446 466 Y N 0.648 120.991 120.300 0.070 0.000 2.040 466 Y HA -0.352 4.198 4.550 -0.001 0.000 0.275 466 Y C 2.220 177.990 175.900 -0.215 0.000 1.171 466 Y CA 2.418 60.566 58.100 0.082 0.000 1.123 466 Y CB -0.585 37.978 38.460 0.173 0.000 0.963 466 Y HN 0.302 nan 8.280 nan 0.000 0.493 467 A N -0.278 122.433 122.820 -0.182 0.000 1.908 467 A HA -0.243 4.076 4.320 -0.001 0.000 0.218 467 A C 1.950 179.311 177.584 -0.372 0.000 1.181 467 A CA 1.805 53.421 52.037 -0.702 0.000 0.627 467 A CB -0.673 18.175 19.000 -0.252 0.000 0.818 467 A HN 0.574 nan 8.150 nan 0.000 0.445 468 Q N -0.760 118.889 119.800 -0.251 0.000 2.541 468 Q HA -0.031 4.309 4.340 -0.001 0.000 0.215 468 Q C 0.550 176.537 176.000 -0.023 0.000 0.977 468 Q CA 1.288 57.013 55.803 -0.129 0.000 0.934 468 Q CB -0.244 28.311 28.738 -0.305 0.000 0.988 468 Q HN 0.576 nan 8.270 nan 0.000 0.521 469 T N -0.169 114.296 114.554 -0.148 0.000 3.209 469 T HA 0.157 4.507 4.350 -0.001 0.000 0.295 469 T C -0.441 173.878 174.700 -0.636 0.000 0.977 469 T CA -0.167 61.782 62.100 -0.251 0.000 0.922 469 T CB 0.357 69.122 68.868 -0.172 0.000 1.152 469 T HN 0.181 nan 8.240 nan 0.000 0.527 470 H N 0.714 119.613 119.070 -0.286 0.000 3.012 470 H HA 0.276 4.832 4.556 -0.001 0.000 0.367 470 H C -1.193 174.181 175.328 0.076 0.000 1.211 470 H CA -0.900 55.047 56.048 -0.169 0.000 1.139 470 H CB 1.618 31.165 29.762 -0.359 0.000 1.838 470 H HN 0.090 nan 8.280 nan 0.000 0.550 471 D N 0.705 121.236 120.400 0.218 0.000 2.400 471 D HA 0.323 4.962 4.640 -0.001 0.000 0.238 471 D C 1.195 177.557 176.300 0.103 0.000 1.157 471 D CA 1.457 55.560 54.000 0.172 0.000 0.889 471 D CB 0.777 41.689 40.800 0.187 0.000 1.199 471 D HN 0.882 nan 8.370 nan 0.000 0.436 472 G N 1.167 109.846 108.800 -0.202 0.000 2.712 472 G HA2 -0.098 3.862 3.960 -0.001 0.000 0.683 472 G HA3 -0.098 3.862 3.960 -0.001 0.000 0.683 472 G C -3.005 171.652 174.900 -0.405 0.000 1.320 472 G CA -1.153 43.444 45.100 -0.838 0.000 0.847 472 G HN 0.425 nan 8.290 nan 0.000 0.553 473 P HA 0.645 nan 4.420 nan 0.000 0.279 473 P C -0.751 176.323 177.300 -0.377 0.000 1.239 473 P CA -0.110 62.904 63.100 -0.145 0.000 0.789 473 P CB 0.425 32.115 31.700 -0.015 0.000 0.933 474 F N 1.113 121.078 119.950 0.025 0.000 2.540 474 F HA 0.638 5.165 4.527 -0.001 0.000 0.317 474 F C 0.229 176.165 175.800 0.227 0.000 1.104 474 F CA -0.708 57.282 58.000 -0.016 0.000 0.913 474 F CB 1.920 40.799 39.000 -0.202 0.000 1.170 474 F HN 0.248 nan 8.300 nan 0.000 0.450 475 A N 4.020 127.073 122.820 0.389 0.000 2.350 475 A HA 0.926 5.245 4.320 -0.001 0.000 0.324 475 A C -1.056 176.759 177.584 0.386 0.000 1.118 475 A CA -0.610 51.627 52.037 0.333 0.000 0.783 475 A CB 0.865 19.929 19.000 0.108 0.000 1.236 475 A HN 0.719 nan 8.150 nan 0.000 0.457 476 I N 2.403 123.145 120.570 0.288 0.000 2.497 476 I HA 0.375 4.544 4.170 -0.001 0.000 0.284 476 I C -0.019 176.131 176.117 0.055 0.000 1.060 476 I CA -0.481 60.959 61.300 0.234 0.000 1.071 476 I CB 1.879 40.073 38.000 0.323 0.000 1.216 476 I HN 0.863 nan 8.210 nan 0.000 0.442 477 R N 6.036 126.498 120.500 -0.063 0.000 2.460 477 R HA 0.752 5.091 4.340 -0.001 0.000 0.303 477 R C -1.697 174.416 176.300 -0.313 0.000 0.968 477 R CA -0.652 55.287 56.100 -0.268 0.000 0.889 477 R CB 1.358 31.509 30.300 -0.247 0.000 1.123 477 R HN 0.552 nan 8.270 nan 0.000 0.455 478 Y N -0.803 119.260 120.300 -0.395 0.000 2.562 478 Y HA 0.665 5.215 4.550 -0.001 0.000 0.345 478 Y C -2.950 172.629 175.900 -0.534 0.000 1.045 478 Y CA -3.488 54.203 58.100 -0.682 0.000 1.028 478 Y CB 1.424 39.283 38.460 -1.000 0.000 1.297 478 Y HN 0.490 nan 8.280 nan 0.000 0.463 479 P HA 0.223 nan 4.420 nan 0.000 0.278 479 P C -0.862 176.411 177.300 -0.044 0.000 1.258 479 P CA -0.646 62.325 63.100 -0.216 0.000 0.811 479 P CB 1.391 32.997 31.700 -0.157 0.000 1.063 480 R N 0.690 121.166 120.500 -0.041 0.000 2.458 480 R HA 0.450 4.789 4.340 -0.001 0.000 0.303 480 R C 0.253 176.625 176.300 0.120 0.000 1.013 480 R CA 0.967 57.091 56.100 0.040 0.000 1.026 480 R CB -0.890 29.406 30.300 -0.007 0.000 0.948 480 R HN 0.857 nan 8.270 nan 0.000 0.417 481 G N 2.571 111.498 108.800 0.212 0.000 2.356 481 G HA2 -0.004 3.955 3.960 -0.001 0.000 0.300 481 G HA3 -0.004 3.955 3.960 -0.001 0.000 0.300 481 G C -1.743 173.316 174.900 0.265 0.000 1.331 481 G CA -0.970 44.265 45.100 0.224 0.000 0.905 481 G HN 0.573 nan 8.290 nan 0.000 0.587 482 N N -0.622 118.168 118.700 0.150 0.000 2.477 482 N HA 0.840 5.579 4.740 -0.001 0.000 0.284 482 N C -0.404 175.016 175.510 -0.150 0.000 1.182 482 N CA -0.008 53.050 53.050 0.013 0.000 0.949 482 N CB 1.858 40.363 38.487 0.030 0.000 1.204 482 N HN 0.783 nan 8.380 nan 0.000 0.526 483 T N -1.458 112.911 114.554 -0.309 0.000 2.840 483 T HA 0.623 4.973 4.350 -0.001 0.000 0.317 483 T C -1.490 173.069 174.700 -0.236 0.000 1.401 483 T CA -0.670 61.171 62.100 -0.432 0.000 1.028 483 T CB 0.945 69.113 68.868 -1.166 0.000 1.317 483 T HN 0.513 nan 8.240 nan 0.000 0.495 484 A N 2.621 125.290 122.820 -0.252 0.000 2.440 484 A HA 0.487 4.806 4.320 -0.001 0.000 0.251 484 A C 0.432 177.787 177.584 -0.382 0.000 1.089 484 A CA -0.181 51.694 52.037 -0.269 0.000 0.779 484 A CB 0.021 18.898 19.000 -0.206 0.000 1.022 484 A HN 0.869 nan 8.150 nan 0.000 0.492 485 Q N 1.391 120.798 119.800 -0.655 0.000 2.361 485 Q HA 0.377 4.716 4.340 -0.001 0.000 0.276 485 Q C -0.661 175.120 176.000 -0.365 0.000 1.022 485 Q CA 0.122 55.478 55.803 -0.746 0.000 0.898 485 Q CB 0.437 28.613 28.738 -0.937 0.000 1.246 485 Q HN 0.566 nan 8.270 nan 0.000 0.410 486 V N 4.559 124.315 119.914 -0.264 0.000 3.019 486 V HA 0.480 4.600 4.120 -0.001 0.000 0.317 486 V C -2.155 173.845 176.094 -0.156 0.000 1.094 486 V CA -1.963 60.223 62.300 -0.190 0.000 1.000 486 V CB 1.300 33.016 31.823 -0.178 0.000 1.060 486 V HN 0.870 nan 8.190 nan 0.000 0.443 487 P HA 0.222 nan 4.420 nan 0.000 0.268 487 P C -0.442 176.812 177.300 -0.076 0.000 1.208 487 P CA 0.003 63.053 63.100 -0.083 0.000 0.777 487 P CB 0.257 31.922 31.700 -0.058 0.000 0.875 488 A N 2.051 124.853 122.820 -0.029 0.000 2.511 488 A HA 0.426 4.746 4.320 -0.001 0.000 0.242 488 A C 1.426 179.039 177.584 0.048 0.000 1.069 488 A CA 0.623 52.670 52.037 0.018 0.000 0.763 488 A CB -1.247 17.782 19.000 0.047 0.000 1.001 488 A HN 0.923 nan 8.150 nan 0.000 0.498 489 G N 1.976 110.846 108.800 0.117 0.000 2.143 489 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.249 489 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.249 489 G C 0.339 175.307 174.900 0.113 0.000 0.981 489 G CA 0.406 45.657 45.100 0.251 0.000 0.665 489 G HN 1.174 nan 8.290 nan 0.000 0.528 490 T N 0.420 114.836 114.554 -0.230 0.000 2.743 490 T HA 0.411 4.761 4.350 -0.001 0.000 0.290 490 T C -0.259 174.080 174.700 -0.602 0.000 0.908 490 T CA 0.434 62.363 62.100 -0.284 0.000 1.092 490 T CB 0.065 68.768 68.868 -0.275 0.000 0.882 490 T HN 0.364 nan 8.240 nan 0.000 0.531 491 W N 4.904 126.272 121.300 0.113 0.000 1.949 491 W HA 0.306 4.966 4.660 -0.001 0.000 0.299 491 W C -2.472 174.132 176.519 0.141 0.000 0.959 491 W CA -1.809 55.627 57.345 0.152 0.000 1.665 491 W CB 0.367 29.950 29.460 0.205 0.000 1.829 491 W HN 0.457 nan 8.180 nan 0.000 0.375 492 P HA 0.095 nan 4.420 nan 0.000 0.272 492 P C -0.154 177.301 177.300 0.259 0.000 1.223 492 P CA 0.172 63.398 63.100 0.210 0.000 0.784 492 P CB 1.030 32.809 31.700 0.133 0.000 0.923 493 D N 1.258 121.791 120.400 0.221 0.000 2.210 493 D HA 0.435 5.074 4.640 -0.001 0.000 0.249 493 D C -0.424 176.002 176.300 0.210 0.000 1.078 493 D CA 0.027 54.171 54.000 0.240 0.000 0.875 493 D CB 0.572 41.497 40.800 0.209 0.000 1.175 493 D HN 0.130 nan 8.370 nan 0.000 0.440 494 L N -1.120 120.249 121.223 0.242 0.000 2.455 494 L HA 0.552 4.891 4.340 -0.001 0.000 0.264 494 L C -0.486 176.455 176.870 0.118 0.000 0.968 494 L CA -1.192 53.752 54.840 0.173 0.000 0.827 494 L CB 1.218 43.381 42.059 0.172 0.000 1.317 494 L HN -0.078 nan 8.230 nan 0.000 0.407 495 K N 3.105 123.541 120.400 0.059 0.000 2.361 495 K HA 0.066 4.386 4.320 -0.001 0.000 0.283 495 K C -0.474 175.957 176.600 -0.281 0.000 1.078 495 K CA 0.220 56.483 56.287 -0.039 0.000 1.041 495 K CB 0.197 32.691 32.500 -0.010 0.000 0.932 495 K HN 0.624 nan 8.250 nan 0.000 0.462 496 W N 3.103 123.912 121.300 -0.817 0.000 2.347 496 W HA 0.070 4.730 4.660 -0.001 0.000 0.333 496 W C 0.872 176.713 176.519 -1.131 0.000 1.383 496 W CA 1.949 58.522 57.345 -1.287 0.000 1.283 496 W CB 0.272 28.875 29.460 -1.427 0.000 1.253 496 W HN 0.886 nan 8.180 nan 0.000 0.563 497 G N 3.617 111.201 108.800 -2.026 0.000 2.232 497 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.226 497 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.226 497 G C 0.107 174.778 174.900 -0.382 0.000 0.996 497 G CA 0.039 44.638 45.100 -0.835 0.000 0.626 497 G HN 0.534 nan 8.290 nan 0.000 0.509 498 E N 0.551 120.604 120.200 -0.246 0.000 2.259 498 E HA 0.499 4.848 4.350 -0.001 0.000 0.281 498 E C 0.302 177.037 176.600 0.225 0.000 1.027 498 E CA -0.904 55.458 56.400 -0.064 0.000 0.838 498 E CB 0.481 30.171 29.700 -0.016 0.000 1.066 498 E HN 0.440 nan 8.360 nan 0.000 0.401 499 W N 2.676 124.054 121.300 0.129 0.000 2.671 499 W HA 0.463 5.123 4.660 -0.001 0.000 0.360 499 W C -0.754 175.780 176.519 0.025 0.000 1.128 499 W CA -1.417 55.968 57.345 0.067 0.000 1.184 499 W CB -0.093 29.383 29.460 0.026 0.000 1.415 499 W HN 0.369 nan 8.180 nan 0.000 0.604 500 E N 0.873 121.237 120.200 0.273 0.000 2.212 500 E HA 0.493 4.842 4.350 -0.001 0.000 0.268 500 E C -0.253 176.393 176.600 0.078 0.000 0.902 500 E CA -1.194 55.297 56.400 0.153 0.000 0.779 500 E CB 1.883 31.633 29.700 0.083 0.000 1.172 500 E HN 0.344 nan 8.360 nan 0.000 0.409 501 R N 1.893 122.440 120.500 0.079 0.000 2.570 501 R HA 0.067 4.407 4.340 -0.001 0.000 0.277 501 R C -0.076 176.228 176.300 0.007 0.000 1.039 501 R CA 0.050 56.170 56.100 0.033 0.000 1.065 501 R CB 0.608 30.936 30.300 0.046 0.000 0.964 501 R HN 0.611 nan 8.270 nan 0.000 0.428 502 L N 2.572 123.784 121.223 -0.018 0.000 2.653 502 L HA 0.193 4.532 4.340 -0.001 0.000 0.230 502 L C -0.219 176.641 176.870 -0.017 0.000 1.055 502 L CA 1.032 55.858 54.840 -0.023 0.000 0.880 502 L CB -0.052 41.980 42.059 -0.045 0.000 1.195 502 L HN 0.454 nan 8.230 nan 0.000 0.492 503 K N -0.532 119.858 120.400 -0.018 0.000 2.482 503 K HA 0.638 4.957 4.320 -0.001 0.000 0.251 503 K C -0.038 176.559 176.600 -0.006 0.000 0.936 503 K CA -0.368 55.912 56.287 -0.012 0.000 0.791 503 K CB 1.486 33.975 32.500 -0.017 0.000 1.213 503 K HN -0.017 nan 8.250 nan 0.000 0.428 504 G N 1.040 109.840 108.800 -0.000 0.000 2.699 504 G HA2 0.438 4.397 3.960 -0.001 0.000 0.246 504 G HA3 0.438 4.397 3.960 -0.001 0.000 0.246 504 G C 0.072 174.974 174.900 0.003 0.000 1.219 504 G CA -0.064 45.038 45.100 0.005 0.000 0.866 504 G HN 1.313 nan 8.290 nan 0.000 0.572 505 G N 0.425 109.228 108.800 0.006 0.000 3.239 505 G HA2 0.216 4.175 3.960 -0.001 0.000 0.666 505 G HA3 0.216 4.175 3.960 -0.001 0.000 0.666 505 G C -0.670 174.235 174.900 0.008 0.000 1.313 505 G CA -0.157 44.946 45.100 0.005 0.000 1.001 505 G HN 0.702 nan 8.290 nan 0.000 0.573 506 D N 0.878 121.285 120.400 0.010 0.000 2.560 506 D HA 0.676 5.315 4.640 -0.001 0.000 0.277 506 D C 0.923 177.228 176.300 0.009 0.000 1.194 506 D CA 0.498 54.505 54.000 0.013 0.000 1.092 506 D CB 0.971 41.781 40.800 0.016 0.000 1.169 506 D HN 0.639 nan 8.370 nan 0.000 0.607 507 D N -1.857 118.549 120.400 0.009 0.000 4.242 507 D HA -0.205 4.434 4.640 -0.001 0.000 0.179 507 D C -1.076 175.227 176.300 0.005 0.000 0.932 507 D CA 1.489 55.493 54.000 0.007 0.000 2.179 507 D CB -0.775 40.028 40.800 0.004 0.000 1.139 507 D HN 0.207 nan 8.370 nan 0.000 0.438 508 V N 0.918 120.833 119.914 0.002 0.000 2.487 508 V HA 0.686 4.805 4.120 -0.001 0.000 0.298 508 V C -0.141 175.951 176.094 -0.004 0.000 1.028 508 V CA -0.748 61.552 62.300 -0.001 0.000 0.860 508 V CB 1.786 33.607 31.823 -0.004 0.000 0.991 508 V HN 0.312 nan 8.190 nan 0.000 0.427 509 V N 6.055 125.967 119.914 -0.005 0.000 2.487 509 V HA 0.524 4.643 4.120 -0.001 0.000 0.298 509 V C -0.235 175.846 176.094 -0.022 0.000 1.028 509 V CA -0.464 61.830 62.300 -0.011 0.000 0.860 509 V CB 1.873 33.696 31.823 -0.001 0.000 0.991 509 V HN 0.703 nan 8.190 nan 0.000 0.427 510 I N 5.750 126.299 120.570 -0.035 0.000 2.353 510 I HA 0.448 4.617 4.170 -0.001 0.000 0.293 510 I C -0.562 175.506 176.117 -0.083 0.000 0.992 510 I CA -0.335 60.939 61.300 -0.044 0.000 1.268 510 I CB 1.155 39.131 38.000 -0.040 0.000 1.387 510 I HN 0.354 nan 8.210 nan 0.000 0.478 511 L N 6.680 127.863 121.223 -0.066 0.000 2.325 511 L HA 0.906 5.246 4.340 -0.001 0.000 0.281 511 L C -0.142 176.676 176.870 -0.087 0.000 1.004 511 L CA -0.382 54.380 54.840 -0.131 0.000 0.823 511 L CB 1.466 43.501 42.059 -0.041 0.000 1.236 511 L HN 0.768 nan 8.230 nan 0.000 0.415 512 A N 2.116 124.745 122.820 -0.319 0.000 2.599 512 A HA 0.956 5.275 4.320 -0.001 0.000 0.290 512 A C -0.815 176.466 177.584 -0.505 0.000 1.101 512 A CA -0.150 51.644 52.037 -0.405 0.000 0.674 512 A CB 1.804 20.666 19.000 -0.230 0.000 1.277 512 A HN 0.739 nan 8.150 nan 0.000 0.419 513 G N -1.428 107.066 108.800 -0.511 0.000 2.694 513 G HA2 0.768 4.727 3.960 -0.001 0.000 0.290 513 G HA3 0.768 4.727 3.960 -0.001 0.000 0.290 513 G C 0.576 175.263 174.900 -0.355 0.000 1.386 513 G CA 0.442 45.282 45.100 -0.433 0.000 0.872 513 G HN 2.417 nan 8.290 nan 0.000 0.475 514 G N 0.450 109.064 108.800 -0.309 0.000 2.614 514 G HA2 -0.360 3.599 3.960 -0.001 0.000 0.303 514 G HA3 -0.360 3.599 3.960 -0.001 0.000 0.303 514 G C 1.396 176.133 174.900 -0.271 0.000 1.270 514 G CA 1.439 46.362 45.100 -0.295 0.000 0.988 514 G HN 1.197 nan 8.290 nan 0.000 0.551 515 K N 0.366 120.590 120.400 -0.293 0.000 2.074 515 K HA 0.062 4.381 4.320 -0.001 0.000 0.209 515 K C 3.023 179.330 176.600 -0.488 0.000 1.048 515 K CA 2.743 58.824 56.287 -0.343 0.000 0.926 515 K CB -0.728 31.603 32.500 -0.281 0.000 0.713 515 K HN 1.022 nan 8.250 nan 0.000 0.444 516 A N 0.503 123.099 122.820 -0.374 0.000 1.972 516 A HA -0.140 4.179 4.320 -0.001 0.000 0.219 516 A C 2.031 179.478 177.584 -0.228 0.000 1.169 516 A CA 1.491 53.356 52.037 -0.286 0.000 0.635 516 A CB -0.617 18.248 19.000 -0.226 0.000 0.810 516 A HN 0.387 nan 8.150 nan 0.000 0.446 517 L N -0.044 121.031 121.223 -0.246 0.000 2.131 517 L HA -0.137 4.203 4.340 -0.001 0.000 0.210 517 L C 1.565 178.348 176.870 -0.144 0.000 1.092 517 L CA 2.287 57.014 54.840 -0.188 0.000 0.759 517 L CB -0.624 41.315 42.059 -0.199 0.000 0.903 517 L HN 0.310 nan 8.230 nan 0.000 0.435 518 D N -1.133 119.146 120.400 -0.201 0.000 2.092 518 D HA -0.245 4.395 4.640 -0.001 0.000 0.193 518 D C 2.136 178.422 176.300 -0.022 0.000 0.994 518 D CA 1.923 55.836 54.000 -0.145 0.000 0.828 518 D CB -0.364 40.287 40.800 -0.249 0.000 0.963 518 D HN 0.495 nan 8.370 nan 0.000 0.450 519 Y N 0.780 121.042 120.300 -0.063 0.000 2.181 519 Y HA -0.193 4.356 4.550 -0.001 0.000 0.288 519 Y C 2.538 178.401 175.900 -0.061 0.000 1.146 519 Y CA 0.453 58.516 58.100 -0.061 0.000 1.164 519 Y CB -0.131 38.276 38.460 -0.088 0.000 0.982 519 Y HN -0.054 nan 8.280 nan 0.000 0.515 520 A N 0.535 123.399 122.820 0.072 0.000 1.858 520 A HA -0.184 4.135 4.320 -0.001 0.000 0.216 520 A C 2.166 179.750 177.584 0.001 0.000 1.190 520 A CA 1.536 53.578 52.037 0.009 0.000 0.617 520 A CB -1.077 17.896 19.000 -0.045 0.000 0.827 520 A HN 0.470 nan 8.150 nan 0.000 0.443 521 L N -1.070 120.148 121.223 -0.009 0.000 2.141 521 L HA -0.133 4.206 4.340 -0.001 0.000 0.209 521 L C 2.587 179.462 176.870 0.009 0.000 1.094 521 L CA 1.057 55.890 54.840 -0.011 0.000 0.763 521 L CB -0.386 41.658 42.059 -0.024 0.000 0.908 521 L HN 0.261 nan 8.230 nan 0.000 0.437 522 K N 0.349 120.770 120.400 0.035 0.000 2.103 522 K HA -0.051 4.269 4.320 -0.001 0.000 0.204 522 K C 2.153 178.768 176.600 0.026 0.000 1.052 522 K CA 1.338 57.650 56.287 0.043 0.000 0.945 522 K CB -0.157 32.395 32.500 0.087 0.000 0.722 522 K HN 0.243 nan 8.250 nan 0.000 0.443 523 A N 0.853 123.687 122.820 0.025 0.000 1.933 523 A HA -0.069 4.250 4.320 -0.001 0.000 0.218 523 A C 2.176 179.760 177.584 -0.001 0.000 1.175 523 A CA 1.990 54.031 52.037 0.006 0.000 0.628 523 A CB -0.376 18.626 19.000 0.003 0.000 0.814 523 A HN 0.296 nan 8.150 nan 0.000 0.444 524 A N -1.027 121.792 122.820 -0.001 0.000 2.178 524 A HA 0.135 4.455 4.320 -0.001 0.000 0.211 524 A C 1.526 179.107 177.584 -0.004 0.000 1.157 524 A CA 0.878 52.911 52.037 -0.006 0.000 0.780 524 A CB -0.369 18.625 19.000 -0.010 0.000 0.828 524 A HN 0.585 nan 8.150 nan 0.000 0.476 525 E N 0.171 120.370 120.200 -0.001 0.000 2.240 525 E HA -0.278 4.071 4.350 -0.001 0.000 0.236 525 E C 0.352 176.950 176.600 -0.003 0.000 1.085 525 E CA 1.911 58.311 56.400 -0.001 0.000 0.979 525 E CB -0.107 29.594 29.700 0.002 0.000 0.845 525 E HN 0.550 nan 8.360 nan 0.000 0.483 526 D N -0.640 119.758 120.400 -0.003 0.000 2.559 526 D HA 0.143 4.783 4.640 -0.001 0.000 0.234 526 D C -0.699 175.599 176.300 -0.003 0.000 1.226 526 D CA 0.024 54.022 54.000 -0.003 0.000 0.830 526 D CB 0.372 41.170 40.800 -0.003 0.000 1.028 526 D HN 0.057 nan 8.370 nan 0.000 0.492 527 L N 2.387 123.608 121.223 -0.004 0.000 2.297 527 L HA 0.262 4.601 4.340 -0.001 0.000 0.277 527 L C -1.235 175.633 176.870 -0.004 0.000 1.040 527 L CA -1.457 53.381 54.840 -0.004 0.000 0.867 527 L CB 1.682 43.738 42.059 -0.005 0.000 1.244 527 L HN -0.234 nan 8.230 nan 0.000 0.433 528 P HA -0.137 nan 4.420 nan 0.000 0.218 528 P C 1.416 178.716 177.300 -0.001 0.000 1.148 528 P CA 1.126 64.226 63.100 -0.001 0.000 0.822 528 P CB 0.385 32.084 31.700 -0.001 0.000 0.784 529 G N 0.143 108.943 108.800 -0.001 0.000 2.421 529 G HA2 -0.058 3.901 3.960 -0.001 0.000 0.217 529 G HA3 -0.058 3.901 3.960 -0.001 0.000 0.217 529 G C 0.588 175.488 174.900 -0.001 0.000 1.143 529 G CA 0.165 45.265 45.100 -0.000 0.000 0.784 529 G HN 0.224 nan 8.290 nan 0.000 0.541 530 V N 1.836 121.748 119.914 -0.004 0.000 2.353 530 V HA 0.547 4.667 4.120 -0.001 0.000 0.264 530 V C 0.977 177.066 176.094 -0.008 0.000 1.049 530 V CA -0.571 61.725 62.300 -0.006 0.000 0.896 530 V CB 0.515 32.333 31.823 -0.008 0.000 1.025 530 V HN 0.233 nan 8.190 nan 0.000 0.475 531 G N 3.851 112.646 108.800 -0.008 0.000 2.476 531 G HA2 0.545 4.505 3.960 -0.001 0.000 0.269 531 G HA3 0.545 4.505 3.960 -0.001 0.000 0.269 531 G C -0.758 174.127 174.900 -0.024 0.000 1.195 531 G CA -0.304 44.789 45.100 -0.011 0.000 0.843 531 G HN 0.543 nan 8.290 nan 0.000 0.545 532 V N 0.905 120.799 119.914 -0.034 0.000 2.656 532 V HA 0.502 4.621 4.120 -0.001 0.000 0.307 532 V C -0.394 175.651 176.094 -0.082 0.000 1.051 532 V CA -0.675 61.589 62.300 -0.060 0.000 0.893 532 V CB 1.945 33.733 31.823 -0.058 0.000 0.999 532 V HN 0.558 nan 8.190 nan 0.000 0.426 533 V N 3.000 122.829 119.914 -0.142 0.000 2.487 533 V HA 0.396 4.515 4.120 -0.001 0.000 0.298 533 V C 0.040 175.940 176.094 -0.323 0.000 1.028 533 V CA -0.821 61.351 62.300 -0.213 0.000 0.860 533 V CB 1.929 33.584 31.823 -0.281 0.000 0.991 533 V HN 0.901 nan 8.190 nan 0.000 0.427 534 N N 4.095 122.639 118.700 -0.261 0.000 2.434 534 N HA 0.156 4.896 4.740 -0.001 0.000 0.273 534 N C 0.399 175.657 175.510 -0.420 0.000 1.210 534 N CA -0.020 52.859 53.050 -0.285 0.000 0.992 534 N CB 0.921 39.306 38.487 -0.170 0.000 1.355 534 N HN 0.847 nan 8.380 nan 0.000 0.495 535 A N 4.887 127.300 122.820 -0.678 0.000 3.048 535 A HA 0.052 4.371 4.320 -0.001 0.000 0.264 535 A C 1.571 178.922 177.584 -0.388 0.000 1.796 535 A CA -0.566 50.874 52.037 -0.994 0.000 1.445 535 A CB -0.469 17.759 19.000 -1.287 0.000 1.074 535 A HN 0.736 nan 8.150 nan 0.000 0.621 536 R N 0.370 120.739 120.500 -0.218 0.000 2.313 536 R HA 0.112 4.452 4.340 -0.001 0.000 0.199 536 R C -1.123 174.716 176.300 -0.768 0.000 0.958 536 R CA 0.449 56.230 56.100 -0.530 0.000 1.047 536 R CB -0.406 29.504 30.300 -0.649 0.000 0.955 536 R HN 0.425 nan 8.270 nan 0.000 0.481 537 F N -0.832 119.170 119.950 0.086 0.000 2.551 537 F HA 0.359 4.885 4.527 -0.001 0.000 0.316 537 F C 0.865 176.796 175.800 0.219 0.000 1.089 537 F CA -1.091 56.910 58.000 0.001 0.000 0.915 537 F CB 2.532 41.420 39.000 -0.186 0.000 1.186 537 F HN -0.400 nan 8.300 nan 0.000 0.456 538 V N 0.779 120.905 119.914 0.353 0.000 3.484 538 V HA 0.171 4.290 4.120 -0.001 0.000 0.252 538 V C -0.004 176.260 176.094 0.284 0.000 1.282 538 V CA 0.253 62.759 62.300 0.342 0.000 1.104 538 V CB 0.668 32.623 31.823 0.220 0.000 0.868 538 V HN 0.573 nan 8.190 nan 0.000 0.457 539 K N 0.808 121.377 120.400 0.283 0.000 2.324 539 K HA 0.500 4.820 4.320 -0.001 0.000 0.253 539 K C -2.818 173.942 176.600 0.267 0.000 0.932 539 K CA -2.076 54.341 56.287 0.215 0.000 0.799 539 K CB 1.902 34.493 32.500 0.152 0.000 1.154 539 K HN -0.140 nan 8.250 nan 0.000 0.425 540 P HA -0.265 nan 4.420 nan 0.000 0.240 540 P C -0.986 176.344 177.300 0.050 0.000 1.042 540 P CA 1.012 64.148 63.100 0.061 0.000 0.761 540 P CB -0.010 31.711 31.700 0.035 0.000 0.602 541 L N 2.540 123.760 121.223 -0.005 0.000 2.453 541 L HA 0.196 4.536 4.340 -0.001 0.000 0.261 541 L C 1.357 177.937 176.870 -0.484 0.000 1.179 541 L CA -0.240 54.510 54.840 -0.150 0.000 0.813 541 L CB 0.262 42.325 42.059 0.007 0.000 1.110 541 L HN 0.295 nan 8.230 nan 0.000 0.466 542 D N 1.397 121.076 120.400 -1.202 0.000 2.455 542 D HA 0.004 4.644 4.640 -0.001 0.000 0.234 542 D C 0.922 176.882 176.300 -0.565 0.000 1.224 542 D CA 0.183 53.575 54.000 -1.012 0.000 0.999 542 D CB 0.582 40.334 40.800 -1.747 0.000 1.072 542 D HN 0.456 nan 8.370 nan 0.000 0.514 543 E N 2.279 122.302 120.200 -0.296 0.000 2.072 543 E HA -0.143 4.206 4.350 -0.001 0.000 0.191 543 E C 1.408 177.953 176.600 -0.092 0.000 0.985 543 E CA 0.669 56.983 56.400 -0.144 0.000 0.801 543 E CB 0.288 29.931 29.700 -0.094 0.000 0.750 543 E HN 0.574 nan 8.360 nan 0.000 0.452 544 E N 0.763 120.904 120.200 -0.098 0.000 2.097 544 E HA -0.230 4.119 4.350 -0.001 0.000 0.196 544 E C 2.059 178.644 176.600 -0.024 0.000 1.000 544 E CA 1.097 57.465 56.400 -0.052 0.000 0.804 544 E CB -0.307 29.364 29.700 -0.049 0.000 0.740 544 E HN 0.284 nan 8.360 nan 0.000 0.454 545 M N 0.426 119.998 119.600 -0.047 0.000 2.156 545 M HA -0.110 4.369 4.480 -0.001 0.000 0.264 545 M C 2.258 178.647 176.300 0.148 0.000 1.067 545 M CA 0.914 56.253 55.300 0.065 0.000 1.131 545 M CB 0.055 32.727 32.600 0.119 0.000 1.368 545 M HN 0.117 nan 8.290 nan 0.000 0.416 546 L N 0.386 121.692 121.223 0.139 0.000 2.141 546 L HA -0.111 4.229 4.340 -0.001 0.000 0.209 546 L C 2.453 179.378 176.870 0.092 0.000 1.094 546 L CA 1.702 56.655 54.840 0.188 0.000 0.763 546 L CB -0.714 41.471 42.059 0.211 0.000 0.908 546 L HN 0.319 nan 8.230 nan 0.000 0.437 547 R N -0.414 120.114 120.500 0.047 0.000 2.073 547 R HA -0.232 4.107 4.340 -0.001 0.000 0.234 547 R C 2.306 178.629 176.300 0.039 0.000 1.134 547 R CA 1.995 58.113 56.100 0.030 0.000 0.952 547 R CB -0.285 30.023 30.300 0.012 0.000 0.850 547 R HN 0.577 nan 8.270 nan 0.000 0.433 548 E N -0.475 119.754 120.200 0.047 0.000 2.072 548 E HA -0.123 4.226 4.350 -0.001 0.000 0.191 548 E C 1.839 178.472 176.600 0.056 0.000 0.985 548 E CA 1.244 57.672 56.400 0.047 0.000 0.801 548 E CB 0.232 29.961 29.700 0.048 0.000 0.750 548 E HN 0.220 nan 8.360 nan 0.000 0.452 549 V N 0.093 120.053 119.914 0.077 0.000 2.379 549 V HA -0.091 4.029 4.120 -0.001 0.000 0.245 549 V C 2.274 178.401 176.094 0.055 0.000 1.044 549 V CA 1.736 64.081 62.300 0.074 0.000 1.036 549 V CB -0.412 31.475 31.823 0.106 0.000 0.664 549 V HN 0.456 nan 8.190 nan 0.000 0.453 550 G N -0.244 108.590 108.800 0.055 0.000 2.572 550 G HA2 -0.004 3.955 3.960 -0.001 0.000 0.216 550 G HA3 -0.004 3.955 3.960 -0.001 0.000 0.216 550 G C 1.481 176.400 174.900 0.032 0.000 1.133 550 G CA 0.756 45.877 45.100 0.036 0.000 0.791 550 G HN 0.573 nan 8.290 nan 0.000 0.538 551 G N 0.758 109.579 108.800 0.035 0.000 2.453 551 G HA2 0.014 3.973 3.960 -0.001 0.000 0.215 551 G HA3 0.014 3.973 3.960 -0.001 0.000 0.215 551 G C 1.342 176.261 174.900 0.031 0.000 1.147 551 G CA 0.256 45.376 45.100 0.034 0.000 0.802 551 G HN 0.530 nan 8.290 nan 0.000 0.535 552 R N -0.653 119.866 120.500 0.031 0.000 2.772 552 R HA 0.674 5.014 4.340 -0.001 0.000 0.358 552 R C -0.727 175.587 176.300 0.024 0.000 1.143 552 R CA -0.198 55.917 56.100 0.026 0.000 1.153 552 R CB 0.416 30.730 30.300 0.025 0.000 1.329 552 R HN 0.123 nan 8.270 nan 0.000 0.615 553 A N 1.050 123.884 122.820 0.023 0.000 2.449 553 A HA 0.423 4.743 4.320 -0.001 0.000 0.302 553 A C 0.495 178.088 177.584 0.016 0.000 1.048 553 A CA -0.905 51.143 52.037 0.019 0.000 0.708 553 A CB 1.914 20.925 19.000 0.019 0.000 1.274 553 A HN 0.401 nan 8.150 nan 0.000 0.410 554 R N 0.572 121.080 120.500 0.012 0.000 2.091 554 R HA 0.049 4.389 4.340 -0.001 0.000 0.238 554 R C 0.647 176.953 176.300 0.010 0.000 1.136 554 R CA 2.073 58.180 56.100 0.011 0.000 0.959 554 R CB -0.019 30.285 30.300 0.007 0.000 0.856 554 R HN 1.006 nan 8.270 nan 0.000 0.437 555 A N -0.699 122.125 122.820 0.007 0.000 2.609 555 A HA 0.609 4.929 4.320 -0.001 0.000 0.291 555 A C -1.622 175.962 177.584 -0.001 0.000 1.096 555 A CA -0.815 51.223 52.037 0.002 0.000 0.684 555 A CB 1.415 20.415 19.000 -0.001 0.000 1.282 555 A HN 0.133 nan 8.150 nan 0.000 0.412 556 L N 0.757 121.976 121.223 -0.007 0.000 2.370 556 L HA 0.665 5.004 4.340 -0.001 0.000 0.266 556 L C -0.938 175.920 176.870 -0.019 0.000 1.002 556 L CA -0.505 54.327 54.840 -0.013 0.000 0.818 556 L CB 2.080 44.129 42.059 -0.017 0.000 1.325 556 L HN 0.598 nan 8.230 nan 0.000 0.418 557 I N 1.135 121.694 120.570 -0.018 0.000 2.433 557 I HA 0.419 4.589 4.170 -0.001 0.000 0.292 557 I C -0.205 175.912 176.117 -0.001 0.000 1.001 557 I CA -0.451 60.840 61.300 -0.014 0.000 1.119 557 I CB 2.309 40.302 38.000 -0.012 0.000 1.289 557 I HN 0.609 nan 8.210 nan 0.000 0.438 558 T N 3.008 117.566 114.554 0.006 0.000 2.823 558 T HA 0.766 5.116 4.350 -0.001 0.000 0.279 558 T C -0.572 174.200 174.700 0.120 0.000 0.998 558 T CA -0.708 61.452 62.100 0.099 0.000 0.994 558 T CB 1.840 70.676 68.868 -0.053 0.000 0.960 558 T HN 0.240 nan 8.240 nan 0.000 0.448 559 V N 3.142 123.146 119.914 0.150 0.000 2.588 559 V HA 0.686 4.805 4.120 -0.001 0.000 0.304 559 V C -0.467 175.626 176.094 -0.002 0.000 1.042 559 V CA -0.932 61.395 62.300 0.045 0.000 0.877 559 V CB 1.433 33.250 31.823 -0.010 0.000 0.996 559 V HN 1.128 nan 8.190 nan 0.000 0.425 560 E N 1.480 121.670 120.200 -0.016 0.000 2.308 560 E HA 0.430 4.779 4.350 -0.001 0.000 0.275 560 E C -1.344 175.186 176.600 -0.116 0.000 0.890 560 E CA -0.803 55.548 56.400 -0.081 0.000 0.754 560 E CB 2.499 32.214 29.700 0.025 0.000 1.207 560 E HN 0.456 nan 8.360 nan 0.000 0.426 561 D N 2.424 122.726 120.400 -0.163 0.000 2.801 561 D HA 0.202 4.842 4.640 -0.001 0.000 0.232 561 D C -1.155 175.076 176.300 -0.114 0.000 1.128 561 D CA 0.296 54.215 54.000 -0.135 0.000 1.003 561 D CB -0.666 40.049 40.800 -0.142 0.000 1.110 561 D HN 0.544 nan 8.370 nan 0.000 0.477 562 N N -0.876 117.756 118.700 -0.113 0.000 2.710 562 N HA 0.218 4.957 4.740 -0.001 0.000 0.257 562 N C -0.963 174.456 175.510 -0.151 0.000 1.327 562 N CA -0.638 52.320 53.050 -0.154 0.000 0.861 562 N CB 1.309 39.725 38.487 -0.119 0.000 1.532 562 N HN -0.192 nan 8.380 nan 0.000 0.499 563 T N 0.573 114.984 114.554 -0.239 0.000 2.908 563 T HA -0.024 4.326 4.350 -0.001 0.000 0.325 563 T C 1.261 175.921 174.700 -0.066 0.000 1.092 563 T CA 0.071 62.070 62.100 -0.169 0.000 1.125 563 T CB 0.561 69.330 68.868 -0.166 0.000 1.016 563 T HN 0.318 nan 8.240 nan 0.000 0.550 564 V N 3.709 123.597 119.914 -0.042 0.000 2.548 564 V HA -0.024 4.096 4.120 -0.001 0.000 0.249 564 V C 0.904 176.994 176.094 -0.007 0.000 1.055 564 V CA 1.065 63.353 62.300 -0.020 0.000 1.065 564 V CB 0.192 32.002 31.823 -0.021 0.000 0.681 564 V HN 0.649 nan 8.190 nan 0.000 0.462 565 V N 1.326 121.242 119.914 0.004 0.000 2.405 565 V HA 0.497 4.617 4.120 -0.001 0.000 0.264 565 V C 1.336 177.450 176.094 0.034 0.000 1.048 565 V CA 0.643 62.954 62.300 0.017 0.000 0.966 565 V CB -0.164 31.675 31.823 0.027 0.000 1.015 565 V HN 0.630 nan 8.190 nan 0.000 0.477 566 G N 3.879 112.692 108.800 0.022 0.000 2.203 566 G HA2 -0.186 3.773 3.960 -0.001 0.000 0.263 566 G HA3 -0.186 3.773 3.960 -0.001 0.000 0.263 566 G C 0.561 175.484 174.900 0.037 0.000 1.012 566 G CA 0.392 45.511 45.100 0.031 0.000 0.749 566 G HN 1.215 nan 8.290 nan 0.000 0.512 567 G N -1.052 107.767 108.800 0.032 0.000 2.945 567 G HA2 0.529 4.489 3.960 -0.001 0.000 0.156 567 G HA3 0.529 4.489 3.960 -0.001 0.000 0.156 567 G C 0.865 175.823 174.900 0.096 0.000 1.375 567 G CA 0.253 45.384 45.100 0.052 0.000 1.039 567 G HN 0.476 nan 8.290 nan 0.000 0.586 568 F N 1.596 121.527 119.950 -0.032 0.000 2.134 568 F HA 0.013 4.540 4.527 -0.001 0.000 0.299 568 F C 2.526 178.321 175.800 -0.008 0.000 1.097 568 F CA 2.117 60.108 58.000 -0.015 0.000 1.264 568 F CB -0.598 38.375 39.000 -0.045 0.000 1.001 568 F HN 0.310 nan 8.300 nan 0.000 0.479 569 G N -0.260 108.471 108.800 -0.114 0.000 2.476 569 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.218 569 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.218 569 G C 1.946 176.731 174.900 -0.192 0.000 1.164 569 G CA 0.848 45.826 45.100 -0.203 0.000 0.768 569 G HN 0.641 nan 8.290 nan 0.000 0.560 570 G N 0.836 109.576 108.800 -0.101 0.000 2.408 570 G HA2 0.106 4.066 3.960 -0.001 0.000 0.217 570 G HA3 0.106 4.066 3.960 -0.001 0.000 0.217 570 G C 2.041 176.894 174.900 -0.078 0.000 1.150 570 G CA 1.440 46.498 45.100 -0.071 0.000 0.776 570 G HN 0.675 nan 8.290 nan 0.000 0.542 571 A N 0.309 123.081 122.820 -0.080 0.000 1.902 571 A HA 0.057 4.376 4.320 -0.001 0.000 0.217 571 A C 2.603 180.130 177.584 -0.095 0.000 1.181 571 A CA 1.849 53.858 52.037 -0.048 0.000 0.623 571 A CB -0.639 18.378 19.000 0.029 0.000 0.818 571 A HN 0.252 nan 8.150 nan 0.000 0.443 572 V N 0.251 120.030 119.914 -0.225 0.000 2.295 572 V HA -0.274 3.845 4.120 -0.001 0.000 0.246 572 V C 2.574 178.588 176.094 -0.133 0.000 1.049 572 V CA 2.001 64.176 62.300 -0.209 0.000 1.024 572 V CB -0.885 30.703 31.823 -0.392 0.000 0.648 572 V HN 0.567 nan 8.190 nan 0.000 0.447 573 L N -0.301 120.841 121.223 -0.134 0.000 2.017 573 L HA -0.209 4.130 4.340 -0.001 0.000 0.208 573 L C 2.608 179.427 176.870 -0.085 0.000 1.073 573 L CA 1.823 56.601 54.840 -0.104 0.000 0.745 573 L CB -0.737 41.269 42.059 -0.088 0.000 0.894 573 L HN 0.375 nan 8.230 nan 0.000 0.432 574 E N 0.239 120.399 120.200 -0.067 0.000 2.085 574 E HA -0.228 4.121 4.350 -0.001 0.000 0.194 574 E C 2.300 178.873 176.600 -0.046 0.000 0.994 574 E CA 1.197 57.568 56.400 -0.047 0.000 0.801 574 E CB -0.204 29.478 29.700 -0.029 0.000 0.743 574 E HN 0.513 nan 8.360 nan 0.000 0.453 575 A N 1.357 124.149 122.820 -0.045 0.000 1.858 575 A HA -0.170 4.149 4.320 -0.001 0.000 0.216 575 A C 2.227 179.782 177.584 -0.048 0.000 1.190 575 A CA 1.106 53.122 52.037 -0.035 0.000 0.617 575 A CB -0.787 18.203 19.000 -0.018 0.000 0.827 575 A HN 0.140 nan 8.150 nan 0.000 0.443 576 L N 0.114 121.297 121.223 -0.067 0.000 2.081 576 L HA -0.253 4.086 4.340 -0.001 0.000 0.212 576 L C 2.656 179.444 176.870 -0.136 0.000 1.080 576 L CA 1.724 56.508 54.840 -0.094 0.000 0.754 576 L CB -0.679 41.311 42.059 -0.114 0.000 0.893 576 L HN 0.633 nan 8.230 nan 0.000 0.433 577 N N 0.036 118.656 118.700 -0.133 0.000 2.188 577 N HA -0.170 4.569 4.740 -0.001 0.000 0.184 577 N C 1.843 177.311 175.510 -0.069 0.000 1.018 577 N CA 1.747 54.718 53.050 -0.131 0.000 0.858 577 N CB 0.145 38.577 38.487 -0.092 0.000 0.989 577 N HN 0.373 nan 8.380 nan 0.000 0.426 578 S N -0.073 115.598 115.700 -0.048 0.000 2.489 578 S HA 0.050 4.519 4.470 -0.001 0.000 0.228 578 S C 1.790 176.378 174.600 -0.019 0.000 0.995 578 S CA 0.350 58.535 58.200 -0.025 0.000 0.934 578 S CB -0.121 63.067 63.200 -0.020 0.000 0.771 578 S HN 0.304 nan 8.310 nan 0.000 0.522 579 M N 1.494 121.077 119.600 -0.029 0.000 2.495 579 M HA 0.248 4.727 4.480 -0.001 0.000 0.237 579 M C 0.164 176.463 176.300 -0.001 0.000 1.131 579 M CA -0.144 55.147 55.300 -0.014 0.000 1.032 579 M CB -0.270 32.321 32.600 -0.016 0.000 1.513 579 M HN 0.164 nan 8.290 nan 0.000 0.488 580 N N 2.329 121.024 118.700 -0.007 0.000 2.686 580 N HA -0.174 4.565 4.740 -0.001 0.000 0.261 580 N C -1.523 174.042 175.510 0.093 0.000 1.001 580 N CA 0.761 53.842 53.050 0.052 0.000 0.764 580 N CB -0.704 37.841 38.487 0.096 0.000 0.898 580 N HN 0.368 nan 8.380 nan 0.000 0.544 581 L N 0.612 121.795 121.223 -0.067 0.000 2.354 581 L HA 0.370 4.709 4.340 -0.001 0.000 0.269 581 L C 0.017 176.769 176.870 -0.197 0.000 1.005 581 L CA -0.688 54.155 54.840 0.004 0.000 0.819 581 L CB 1.715 43.764 42.059 -0.016 0.000 1.311 581 L HN 0.183 nan 8.230 nan 0.000 0.423 582 H N 0.617 119.686 119.070 -0.001 0.000 2.779 582 H HA 0.223 4.778 4.556 -0.001 0.000 0.230 582 H C -2.157 173.169 175.328 -0.004 0.000 1.365 582 H CA -1.073 54.973 56.048 -0.004 0.000 1.086 582 H CB -0.176 29.584 29.762 -0.004 0.000 2.038 582 H HN 0.366 nan 8.280 nan 0.000 0.558 583 P HA 0.110 nan 4.420 nan 0.000 0.274 583 P C 0.136 177.450 177.300 0.024 0.000 1.256 583 P CA -0.368 62.755 63.100 0.037 0.000 0.795 583 P CB 1.007 32.718 31.700 0.017 0.000 1.038 584 T N 0.453 115.018 114.554 0.017 0.000 2.834 584 T HA 0.275 4.624 4.350 -0.001 0.000 0.298 584 T C -0.033 174.663 174.700 -0.006 0.000 0.966 584 T CA -0.048 62.056 62.100 0.007 0.000 1.141 584 T CB 0.014 68.885 68.868 0.006 0.000 0.905 584 T HN 0.128 nan 8.240 nan 0.000 0.535 585 V N 5.843 125.748 119.914 -0.015 0.000 2.531 585 V HA 0.481 4.601 4.120 -0.001 0.000 0.301 585 V C 0.008 176.085 176.094 -0.028 0.000 1.034 585 V CA -1.008 61.274 62.300 -0.030 0.000 0.865 585 V CB 1.805 33.598 31.823 -0.050 0.000 0.995 585 V HN 0.677 nan 8.190 nan 0.000 0.424 586 R N 3.173 123.657 120.500 -0.027 0.000 2.265 586 R HA 0.547 4.887 4.340 -0.001 0.000 0.328 586 R C -1.094 175.190 176.300 -0.027 0.000 0.969 586 R CA -0.513 55.573 56.100 -0.024 0.000 0.832 586 R CB 1.954 32.244 30.300 -0.018 0.000 1.139 586 R HN 0.498 nan 8.270 nan 0.000 0.457 587 V N 6.311 126.208 119.914 -0.029 0.000 2.318 587 V HA 0.320 4.439 4.120 -0.001 0.000 0.271 587 V C 0.240 176.325 176.094 -0.016 0.000 1.030 587 V CA -0.525 61.758 62.300 -0.028 0.000 0.844 587 V CB 1.050 32.848 31.823 -0.042 0.000 1.015 587 V HN 0.480 nan 8.190 nan 0.000 0.460 588 L N 5.199 126.419 121.223 -0.006 0.000 2.296 588 L HA 0.974 5.313 4.340 -0.001 0.000 0.286 588 L C 0.659 177.526 176.870 -0.006 0.000 1.023 588 L CA -0.089 54.746 54.840 -0.009 0.000 0.812 588 L CB 1.410 43.461 42.059 -0.014 0.000 1.223 588 L HN 0.737 nan 8.230 nan 0.000 0.421 589 G N 2.323 111.114 108.800 -0.015 0.000 2.578 589 G HA2 0.508 4.467 3.960 -0.001 0.000 0.302 589 G HA3 0.508 4.467 3.960 -0.001 0.000 0.302 589 G C -1.528 173.359 174.900 -0.022 0.000 1.243 589 G CA -0.779 44.307 45.100 -0.024 0.000 0.843 589 G HN 0.245 nan 8.290 nan 0.000 0.486 590 I N 3.285 123.834 120.570 -0.034 0.000 2.416 590 I HA 0.281 4.451 4.170 -0.001 0.000 0.288 590 I C -1.583 174.507 176.117 -0.044 0.000 1.051 590 I CA -1.732 59.550 61.300 -0.030 0.000 1.375 590 I CB 0.976 38.944 38.000 -0.054 0.000 1.407 590 I HN 0.148 nan 8.210 nan 0.000 0.516 591 P HA -0.142 nan 4.420 nan 0.000 0.269 591 P C -0.169 177.103 177.300 -0.046 0.000 1.205 591 P CA 0.006 63.089 63.100 -0.029 0.000 0.780 591 P CB 0.505 32.196 31.700 -0.016 0.000 0.858 592 D N 0.361 120.737 120.400 -0.041 0.000 2.848 592 D HA 0.005 4.645 4.640 -0.001 0.000 0.232 592 D C 0.126 176.370 176.300 -0.094 0.000 1.107 592 D CA 0.309 54.276 54.000 -0.055 0.000 1.020 592 D CB -0.636 40.142 40.800 -0.036 0.000 1.148 592 D HN 0.401 nan 8.370 nan 0.000 0.453 593 E N 0.117 120.246 120.200 -0.117 0.000 2.375 593 E HA 0.183 4.533 4.350 -0.001 0.000 0.280 593 E C -1.082 175.460 176.600 -0.096 0.000 0.972 593 E CA -0.837 55.488 56.400 -0.125 0.000 0.782 593 E CB 0.385 30.071 29.700 -0.024 0.000 1.229 593 E HN -0.120 nan 8.360 nan 0.000 0.439 594 F N 1.287 121.298 119.950 0.102 0.000 2.485 594 F HA 0.184 4.710 4.527 -0.001 0.000 0.327 594 F C 0.832 176.676 175.800 0.074 0.000 1.203 594 F CA 0.187 58.255 58.000 0.113 0.000 1.295 594 F CB 0.626 39.697 39.000 0.118 0.000 1.191 594 F HN 0.321 nan 8.300 nan 0.000 0.588 595 Q N 1.584 121.562 119.800 0.296 0.000 2.327 595 Q HA 0.219 4.558 4.340 -0.001 0.000 0.270 595 Q C -0.404 175.680 176.000 0.139 0.000 1.022 595 Q CA -0.762 55.134 55.803 0.155 0.000 0.773 595 Q CB 1.667 30.468 28.738 0.104 0.000 1.251 595 Q HN 0.508 nan 8.270 nan 0.000 0.457 596 E N 1.348 121.591 120.200 0.071 0.000 2.442 596 E HA -0.045 4.304 4.350 -0.001 0.000 0.260 596 E C -0.047 176.537 176.600 -0.026 0.000 1.148 596 E CA 0.140 56.539 56.400 -0.002 0.000 0.976 596 E CB 0.154 29.746 29.700 -0.179 0.000 0.967 596 E HN 0.512 nan 8.360 nan 0.000 0.454 597 H N -1.040 118.071 119.070 0.069 0.000 2.928 597 H HA 0.472 5.027 4.556 -0.001 0.000 0.338 597 H C -0.188 175.154 175.328 0.023 0.000 1.047 597 H CA -0.029 56.048 56.048 0.048 0.000 1.435 597 H CB 0.481 30.268 29.762 0.042 0.000 1.428 597 H HN 0.562 nan 8.280 nan 0.000 0.590 598 A N 2.226 125.081 122.820 0.058 0.000 2.522 598 A HA 0.444 4.764 4.320 -0.001 0.000 0.294 598 A C -0.210 177.378 177.584 0.007 0.000 1.001 598 A CA -0.688 51.349 52.037 0.001 0.000 0.642 598 A CB 0.098 19.074 19.000 -0.040 0.000 1.326 598 A HN 1.046 nan 8.150 nan 0.000 0.435 599 T N -0.157 114.392 114.554 -0.009 0.000 2.899 599 T HA 0.537 4.886 4.350 -0.001 0.000 0.295 599 T C 1.493 176.153 174.700 -0.066 0.000 1.033 599 T CA 0.253 62.343 62.100 -0.018 0.000 1.084 599 T CB 1.321 70.185 68.868 -0.006 0.000 0.979 599 T HN 2.037 nan 8.240 nan 0.000 0.532 600 A N 1.246 124.010 122.820 -0.094 0.000 1.986 600 A HA -0.137 4.183 4.320 -0.001 0.000 0.220 600 A C 2.097 179.506 177.584 -0.292 0.000 1.171 600 A CA 1.723 53.608 52.037 -0.253 0.000 0.640 600 A CB -0.865 18.015 19.000 -0.199 0.000 0.811 600 A HN 0.910 nan 8.150 nan 0.000 0.451 601 E N 0.322 120.477 120.200 -0.075 0.000 2.152 601 E HA -0.086 4.264 4.350 -0.001 0.000 0.192 601 E C 2.345 178.936 176.600 -0.015 0.000 0.983 601 E CA 1.355 57.764 56.400 0.015 0.000 0.818 601 E CB -0.241 29.489 29.700 0.050 0.000 0.758 601 E HN 0.777 nan 8.360 nan 0.000 0.467 602 S N 0.059 115.737 115.700 -0.037 0.000 2.377 602 S HA -0.083 4.386 4.470 -0.001 0.000 0.223 602 S C 2.198 176.779 174.600 -0.032 0.000 1.030 602 S CA 0.729 58.911 58.200 -0.031 0.000 0.970 602 S CB -0.573 62.611 63.200 -0.028 0.000 0.830 602 S HN 0.065 nan 8.310 nan 0.000 0.473 603 V N 2.565 122.438 119.914 -0.068 0.000 2.332 603 V HA -0.210 3.909 4.120 -0.001 0.000 0.248 603 V C 2.682 178.798 176.094 0.036 0.000 1.055 603 V CA 2.086 64.356 62.300 -0.050 0.000 1.038 603 V CB -1.015 30.748 31.823 -0.100 0.000 0.651 603 V HN 0.518 nan 8.190 nan 0.000 0.450 604 H N 0.339 119.409 119.070 -0.000 0.000 2.357 604 H HA 0.005 4.561 4.556 -0.001 0.000 0.301 604 H C 2.353 177.627 175.328 -0.090 0.000 1.082 604 H CA 1.480 57.515 56.048 -0.022 0.000 1.342 604 H CB -0.775 29.001 29.762 0.023 0.000 1.389 604 H HN 0.444 nan 8.280 nan 0.000 0.511 605 A N 1.270 124.107 122.820 0.029 0.000 1.877 605 A HA -0.183 4.136 4.320 -0.001 0.000 0.216 605 A C 2.449 180.019 177.584 -0.024 0.000 1.186 605 A CA 1.595 53.609 52.037 -0.039 0.000 0.620 605 A CB -0.356 18.618 19.000 -0.044 0.000 0.822 605 A HN 0.327 nan 8.150 nan 0.000 0.443 606 R N -0.784 119.713 120.500 -0.006 0.000 2.148 606 R HA 0.066 4.405 4.340 -0.001 0.000 0.223 606 R C 2.092 178.393 176.300 0.001 0.000 1.088 606 R CA 0.893 56.989 56.100 -0.007 0.000 0.985 606 R CB -0.266 30.030 30.300 -0.007 0.000 0.880 606 R HN 0.494 nan 8.270 nan 0.000 0.451 607 A N 0.143 122.974 122.820 0.019 0.000 2.178 607 A HA 0.212 4.531 4.320 -0.001 0.000 0.211 607 A C 1.331 178.915 177.584 -0.001 0.000 1.157 607 A CA 0.755 52.804 52.037 0.020 0.000 0.780 607 A CB 0.077 19.110 19.000 0.054 0.000 0.828 607 A HN 0.404 nan 8.150 nan 0.000 0.476 608 G N -0.208 108.581 108.800 -0.018 0.000 2.142 608 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.225 608 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.225 608 G C 0.562 175.429 174.900 -0.056 0.000 1.015 608 G CA 0.517 45.593 45.100 -0.039 0.000 0.716 608 G HN 1.348 nan 8.290 nan 0.000 0.508 609 I N -2.192 118.331 120.570 -0.078 0.000 4.154 609 I HA 0.351 4.520 4.170 -0.001 0.000 0.334 609 I C 0.602 176.589 176.117 -0.217 0.000 1.371 609 I CA 0.060 61.303 61.300 -0.096 0.000 1.110 609 I CB 0.231 38.181 38.000 -0.083 0.000 1.085 609 I HN 0.082 nan 8.210 nan 0.000 0.398 610 D N 2.120 122.264 120.400 -0.426 0.000 2.377 610 D HA 0.270 4.909 4.640 -0.001 0.000 0.245 610 D C 1.491 177.534 176.300 -0.429 0.000 1.196 610 D CA 0.285 53.748 54.000 -0.894 0.000 0.962 610 D CB 1.402 41.752 40.800 -0.751 0.000 1.127 610 D HN 0.090 nan 8.370 nan 0.000 0.471 611 A N 1.327 123.931 122.820 -0.359 0.000 1.870 611 A HA -0.167 4.153 4.320 -0.001 0.000 0.219 611 A C -0.342 177.187 177.584 -0.091 0.000 1.224 611 A CA 2.302 54.272 52.037 -0.112 0.000 0.650 611 A CB -2.078 16.899 19.000 -0.038 0.000 0.836 611 A HN 0.636 nan 8.150 nan 0.000 0.454 612 P HA -0.203 nan 4.420 nan 0.000 0.216 612 P C 1.743 179.004 177.300 -0.065 0.000 1.157 612 P CA 2.266 65.325 63.100 -0.069 0.000 0.880 612 P CB -0.199 31.459 31.700 -0.070 0.000 0.791 613 A N -0.913 121.856 122.820 -0.086 0.000 1.902 613 A HA -0.175 4.144 4.320 -0.001 0.000 0.217 613 A C 2.230 179.783 177.584 -0.053 0.000 1.181 613 A CA 1.457 53.453 52.037 -0.068 0.000 0.623 613 A CB -1.591 17.361 19.000 -0.080 0.000 0.818 613 A HN 0.122 nan 8.150 nan 0.000 0.443 614 I N -0.959 119.577 120.570 -0.057 0.000 2.286 614 I HA -0.261 3.908 4.170 -0.001 0.000 0.248 614 I C 2.744 178.844 176.117 -0.028 0.000 1.115 614 I CA 1.228 62.507 61.300 -0.035 0.000 1.392 614 I CB -0.352 37.633 38.000 -0.024 0.000 1.065 614 I HN 0.305 nan 8.210 nan 0.000 0.418 615 R N 0.056 120.538 120.500 -0.030 0.000 2.092 615 R HA -0.109 4.230 4.340 -0.001 0.000 0.231 615 R C 2.307 178.594 176.300 -0.021 0.000 1.119 615 R CA 1.786 57.872 56.100 -0.023 0.000 0.970 615 R CB -0.493 29.793 30.300 -0.023 0.000 0.864 615 R HN 0.354 nan 8.270 nan 0.000 0.440 616 T N 0.713 115.252 114.554 -0.025 0.000 2.737 616 T HA -0.084 4.265 4.350 -0.001 0.000 0.265 616 T C 2.015 176.703 174.700 -0.019 0.000 1.038 616 T CA 1.210 63.297 62.100 -0.022 0.000 1.144 616 T CB -0.150 68.703 68.868 -0.025 0.000 0.866 616 T HN -0.017 nan 8.240 nan 0.000 0.434 617 V N 1.643 121.545 119.914 -0.021 0.000 2.287 617 V HA -0.145 3.974 4.120 -0.001 0.000 0.248 617 V C 2.511 178.596 176.094 -0.015 0.000 1.053 617 V CA 1.514 63.804 62.300 -0.018 0.000 1.027 617 V CB -0.742 31.070 31.823 -0.019 0.000 0.646 617 V HN 0.421 nan 8.190 nan 0.000 0.447 618 L N 0.028 121.242 121.223 -0.015 0.000 2.079 618 L HA -0.218 4.121 4.340 -0.001 0.000 0.210 618 L C 2.656 179.520 176.870 -0.010 0.000 1.081 618 L CA 1.693 56.526 54.840 -0.012 0.000 0.752 618 L CB -0.712 41.340 42.059 -0.012 0.000 0.896 618 L HN 0.380 nan 8.230 nan 0.000 0.433 619 A N -0.433 122.380 122.820 -0.011 0.000 1.929 619 A HA -0.199 4.120 4.320 -0.001 0.000 0.216 619 A C 2.145 179.724 177.584 -0.009 0.000 1.176 619 A CA 1.423 53.455 52.037 -0.010 0.000 0.628 619 A CB -0.387 18.607 19.000 -0.011 0.000 0.816 619 A HN 0.409 nan 8.150 nan 0.000 0.444 620 E N -0.347 119.847 120.200 -0.010 0.000 2.204 620 E HA -0.106 4.244 4.350 -0.001 0.000 0.195 620 E C 1.564 178.160 176.600 -0.007 0.000 0.990 620 E CA 0.809 57.203 56.400 -0.008 0.000 0.821 620 E CB -0.201 29.494 29.700 -0.010 0.000 0.750 620 E HN 0.614 nan 8.360 nan 0.000 0.477 621 L N -1.175 120.044 121.223 -0.007 0.000 2.492 621 L HA 0.090 4.429 4.340 -0.001 0.000 0.223 621 L C 1.477 178.344 176.870 -0.004 0.000 1.132 621 L CA 0.535 55.372 54.840 -0.005 0.000 0.850 621 L CB 0.252 42.308 42.059 -0.006 0.000 0.966 621 L HN 0.361 nan 8.230 nan 0.000 0.454 622 G N -0.725 108.072 108.800 -0.005 0.000 2.184 622 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.206 622 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.206 622 G C 0.250 175.148 174.900 -0.004 0.000 0.995 622 G CA -0.097 45.000 45.100 -0.004 0.000 0.651 622 G HN 0.031 nan 8.290 nan 0.000 0.511 623 V N 1.810 121.721 119.914 -0.004 0.000 2.740 623 V HA 0.300 4.420 4.120 -0.001 0.000 0.303 623 V C 0.286 176.377 176.094 -0.005 0.000 1.054 623 V CA -0.188 62.109 62.300 -0.005 0.000 1.106 623 V CB 1.202 33.022 31.823 -0.006 0.000 0.957 623 V HN 0.258 nan 8.190 nan 0.000 0.486 624 D N 3.512 123.910 120.400 -0.004 0.000 2.374 624 D HA 0.271 4.910 4.640 -0.001 0.000 0.240 624 D C -0.353 175.944 176.300 -0.005 0.000 1.229 624 D CA 0.177 54.174 54.000 -0.004 0.000 0.895 624 D CB 1.085 41.883 40.800 -0.003 0.000 1.046 624 D HN 0.254 nan 8.370 nan 0.000 0.498 625 V N 4.937 124.847 119.914 -0.006 0.000 2.347 625 V HA 0.291 4.411 4.120 -0.001 0.000 0.280 625 V C -1.759 174.331 176.094 -0.007 0.000 1.021 625 V CA -1.522 60.773 62.300 -0.007 0.000 0.847 625 V CB 1.309 33.127 31.823 -0.009 0.000 0.990 625 V HN 0.366 nan 8.190 nan 0.000 0.444 626 P HA 0.310 nan 4.420 nan 0.000 0.270 626 P C 0.751 178.047 177.300 -0.007 0.000 1.223 626 P CA -0.240 62.856 63.100 -0.006 0.000 0.785 626 P CB 0.740 32.437 31.700 -0.005 0.000 0.923 627 I N -1.553 119.013 120.570 -0.007 0.000 3.035 627 I HA 0.096 4.265 4.170 -0.001 0.000 0.271 627 I C -0.236 175.877 176.117 -0.007 0.000 1.190 627 I CA -0.018 61.277 61.300 -0.008 0.000 1.472 627 I CB -0.670 37.325 38.000 -0.007 0.000 1.116 627 I HN 0.351 nan 8.210 nan 0.000 0.443 628 E N 0.591 120.787 120.200 -0.006 0.000 7.683 628 E HA -0.092 4.258 4.350 -0.001 0.000 0.459 628 E C -0.119 176.478 176.600 -0.005 0.000 0.466 628 E CA 0.095 56.492 56.400 -0.005 0.000 0.834 628 E CB -0.420 29.276 29.700 -0.006 0.000 0.971 628 E HN 0.100 nan 8.360 nan 0.000 0.262 629 V N 0.000 119.912 119.914 -0.004 0.000 2.409 629 V HA 0.000 4.119 4.120 -0.001 0.000 0.244 629 V CA 0.000 62.298 62.300 -0.004 0.000 1.235 629 V CB 0.000 31.821 31.823 -0.003 0.000 1.184 629 V HN 0.000 nan 8.190 nan 0.000 0.556