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 3n2c_1_K DATA FIRST_RESID 2 DATA SEQUENCE TITVLQGGNV LDLERGVLLE HHHVVIDGER IVEVTDRPVD LPNAQAIDVR DATA SEQUENCE GKTVMPGFID CHVHVLASNA NLGVNATQPN ILAAIRSLPI LDAMLSRGFT DATA SEQUENCE SVRDAGGADW SLMQAVETGL VSGPRIFPSG KALSQTGGHG DFRPRGDLLE DATA SEQUENCE PCSCCFRTGA IARVVDGVEG VRLAVREEIQ KGATQIXIMA SGGVASPTDP DATA SEQUENCE IANTQYSEDE IRAIVDEAEA ANTYVMAHAY TGRAIARAVR CGVRTIEHGN DATA SEQUENCE LVDEAAAKLM HEHGAFVVPT LVTYDALAKH GAEFGMPPES VAKVASVQQK DATA SEQUENCE GRESLEIYAN AGVKMGFGSD LLGEMHAFQS GEFRIRAEVL GNLEALRSAT DATA SEQUENCE TVAAEIVNMQ GQLGVIAVGA IADLVVLDGN PLEDIGVVAD EGARVEYVLQ DATA SEQUENCE RGTLVKRQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.693 174.700 -0.011 0.000 1.109 2 T CA 0.000 62.094 62.100 -0.009 0.000 1.349 2 T CB 0.000 68.863 68.868 -0.008 0.000 0.612 3 I N 3.232 123.795 120.570 -0.012 0.000 2.336 3 I HA 0.674 4.844 4.170 0.000 0.000 0.292 3 I C -1.164 174.942 176.117 -0.018 0.000 0.991 3 I CA 0.050 61.341 61.300 -0.015 0.000 1.227 3 I CB 1.577 39.568 38.000 -0.015 0.000 1.366 3 I HN 0.295 nan 8.210 nan 0.000 0.466 4 T N 5.837 120.379 114.554 -0.021 0.000 2.893 4 T HA 0.591 4.941 4.350 0.000 0.000 0.291 4 T C -0.840 173.843 174.700 -0.028 0.000 1.028 4 T CA -0.619 61.464 62.100 -0.028 0.000 0.995 4 T CB 1.984 70.832 68.868 -0.032 0.000 1.051 4 T HN 0.246 nan 8.240 nan 0.000 0.470 5 V N 3.228 123.122 119.914 -0.033 0.000 2.483 5 V HA 0.417 4.537 4.120 0.000 0.000 0.297 5 V C -0.389 175.686 176.094 -0.032 0.000 1.027 5 V CA -0.894 61.392 62.300 -0.022 0.000 0.855 5 V CB 1.557 33.369 31.823 -0.019 0.000 0.995 5 V HN 0.749 nan 8.190 nan 0.000 0.424 6 L N 5.800 127.007 121.223 -0.026 0.000 2.326 6 L HA 0.562 4.902 4.340 0.000 0.000 0.278 6 L C 0.187 177.081 176.870 0.040 0.000 1.092 6 L CA -0.130 54.686 54.840 -0.041 0.000 0.810 6 L CB 0.990 43.013 42.059 -0.061 0.000 1.153 6 L HN 0.760 nan 8.230 nan 0.000 0.439 7 Q N 1.837 121.665 119.800 0.047 0.000 2.347 7 Q HA 0.554 4.894 4.340 0.000 0.000 0.271 7 Q C 0.368 176.398 176.000 0.051 0.000 1.064 7 Q CA -0.359 55.558 55.803 0.190 0.000 0.800 7 Q CB 2.212 31.100 28.738 0.249 0.000 1.304 7 Q HN 0.786 nan 8.270 nan 0.000 0.438 8 G N 1.560 110.286 108.800 -0.123 0.000 2.184 8 G HA2 -0.275 3.685 3.960 0.000 0.000 0.264 8 G HA3 -0.275 3.685 3.960 0.000 0.000 0.264 8 G C 0.436 175.274 174.900 -0.104 0.000 0.975 8 G CA -0.130 44.901 45.100 -0.115 0.000 0.642 8 G HN 1.052 nan 8.290 nan 0.000 0.536 9 G N -0.459 108.273 108.800 -0.114 0.000 2.594 9 G HA2 0.414 4.375 3.960 0.000 0.000 0.243 9 G HA3 0.414 4.375 3.960 0.000 0.000 0.243 9 G C 0.082 174.924 174.900 -0.097 0.000 1.229 9 G CA -0.058 44.992 45.100 -0.083 0.000 0.843 9 G HN 0.496 nan 8.290 nan 0.000 0.578 10 N N 0.371 119.012 118.700 -0.098 0.000 3.083 10 N HA 0.242 4.983 4.740 0.000 0.000 0.260 10 N C -0.316 175.134 175.510 -0.101 0.000 1.163 10 N CA -0.558 52.422 53.050 -0.118 0.000 1.060 10 N CB 1.441 39.856 38.487 -0.119 0.000 1.345 10 N HN 0.183 nan 8.380 nan 0.000 0.515 11 V N 2.603 122.454 119.914 -0.105 0.000 2.458 11 V HA -0.042 4.078 4.120 0.000 0.000 0.287 11 V C 0.656 176.672 176.094 -0.130 0.000 1.009 11 V CA 0.016 62.252 62.300 -0.107 0.000 1.091 11 V CB 0.342 32.108 31.823 -0.095 0.000 0.960 11 V HN 0.572 nan 8.190 nan 0.000 0.476 12 L N 5.170 126.340 121.223 -0.088 0.000 2.360 12 L HA 0.306 4.646 4.340 0.000 0.000 0.276 12 L C 0.341 177.172 176.870 -0.065 0.000 1.121 12 L CA 0.086 54.883 54.840 -0.071 0.000 0.845 12 L CB 0.723 42.757 42.059 -0.041 0.000 1.143 12 L HN 0.640 nan 8.230 nan 0.000 0.452 13 D N 4.807 125.167 120.400 -0.067 0.000 2.460 13 D HA 0.163 4.804 4.640 0.000 0.000 0.232 13 D C 0.728 177.015 176.300 -0.021 0.000 1.079 13 D CA -0.271 53.700 54.000 -0.048 0.000 0.864 13 D CB 1.563 42.323 40.800 -0.066 0.000 1.048 13 D HN 0.489 nan 8.370 nan 0.000 0.523 14 L N 3.073 124.294 121.223 -0.003 0.000 2.131 14 L HA -0.109 4.231 4.340 0.000 0.000 0.206 14 L C 2.512 179.395 176.870 0.020 0.000 1.087 14 L CA 0.791 55.641 54.840 0.016 0.000 0.767 14 L CB 0.031 42.110 42.059 0.032 0.000 0.917 14 L HN 0.438 nan 8.230 nan 0.000 0.441 15 E N 0.293 120.503 120.200 0.017 0.000 2.208 15 E HA -0.212 4.138 4.350 0.000 0.000 0.193 15 E C 1.909 178.518 176.600 0.014 0.000 0.988 15 E CA 1.015 57.427 56.400 0.020 0.000 0.828 15 E CB -0.197 29.515 29.700 0.020 0.000 0.763 15 E HN 0.499 nan 8.360 nan 0.000 0.478 16 R N -0.076 120.427 120.500 0.005 0.000 2.254 16 R HA 0.148 4.488 4.340 0.000 0.000 0.195 16 R C 1.181 177.481 176.300 0.000 0.000 0.957 16 R CA 0.535 56.636 56.100 0.001 0.000 1.024 16 R CB 0.311 30.606 30.300 -0.009 0.000 0.952 16 R HN 0.342 nan 8.270 nan 0.000 0.484 17 G N 1.133 109.934 108.800 0.002 0.000 2.147 17 G HA2 -0.252 3.708 3.960 0.000 0.000 0.244 17 G HA3 -0.252 3.708 3.960 0.000 0.000 0.244 17 G C 0.025 174.922 174.900 -0.005 0.000 1.005 17 G CA 0.344 45.447 45.100 0.005 0.000 0.713 17 G HN 0.256 nan 8.290 nan 0.000 0.515 18 V N -3.079 116.824 119.914 -0.019 0.000 3.114 18 V HA 0.825 4.945 4.120 0.000 0.000 0.308 18 V C 0.492 176.553 176.094 -0.055 0.000 1.168 18 V CA -1.776 60.505 62.300 -0.030 0.000 1.015 18 V CB 1.898 33.705 31.823 -0.027 0.000 1.050 18 V HN 0.307 nan 8.190 nan 0.000 0.433 19 L N 1.953 123.138 121.223 -0.064 0.000 2.395 19 L HA 0.503 4.843 4.340 0.000 0.000 0.269 19 L C -0.454 176.335 176.870 -0.135 0.000 1.133 19 L CA -0.324 54.459 54.840 -0.096 0.000 0.812 19 L CB 0.835 42.842 42.059 -0.085 0.000 1.125 19 L HN 0.507 nan 8.230 nan 0.000 0.452 20 L N 3.621 124.713 121.223 -0.219 0.000 2.371 20 L HA 0.243 4.583 4.340 0.000 0.000 0.262 20 L C 0.262 176.995 176.870 -0.229 0.000 1.054 20 L CA -0.643 53.983 54.840 -0.355 0.000 0.924 20 L CB 0.529 42.078 42.059 -0.850 0.000 1.295 20 L HN 0.607 nan 8.230 nan 0.000 0.441 21 E N 2.979 123.110 120.200 -0.116 0.000 2.404 21 E HA -0.043 4.307 4.350 0.000 0.000 0.261 21 E C 0.027 176.579 176.600 -0.080 0.000 1.074 21 E CA -0.236 56.035 56.400 -0.216 0.000 0.917 21 E CB 0.280 29.750 29.700 -0.382 0.000 0.965 21 E HN 0.579 nan 8.360 nan 0.000 0.433 22 H N -0.442 118.634 119.070 0.009 0.000 2.820 22 H HA -0.170 4.386 4.556 0.000 0.000 0.295 22 H C -0.753 174.438 175.328 -0.228 0.000 1.187 22 H CA 1.163 57.148 56.048 -0.104 0.000 1.144 22 H CB -2.471 27.251 29.762 -0.067 0.000 1.354 22 H HN 0.547 nan 8.280 nan 0.000 0.395 23 H N 1.058 120.002 119.070 -0.211 0.000 2.517 23 H HA 0.276 4.832 4.556 0.000 0.000 0.317 23 H C 0.826 175.999 175.328 -0.259 0.000 1.080 23 H CA -0.194 55.741 56.048 -0.188 0.000 1.301 23 H CB 0.633 30.347 29.762 -0.079 0.000 1.425 23 H HN 0.279 nan 8.280 nan 0.000 0.471 24 H N 2.245 121.336 119.070 0.034 0.000 2.481 24 H HA 0.302 4.858 4.556 0.000 0.000 0.339 24 H C -0.386 174.953 175.328 0.018 0.000 1.131 24 H CA -0.617 55.438 56.048 0.012 0.000 1.301 24 H CB 1.341 31.091 29.762 -0.019 0.000 1.476 24 H HN 0.264 nan 8.280 nan 0.000 0.529 25 V N 3.475 123.456 119.914 0.112 0.000 2.350 25 V HA 0.132 4.252 4.120 0.000 0.000 0.285 25 V C 0.210 176.325 176.094 0.035 0.000 1.014 25 V CA -0.824 61.510 62.300 0.057 0.000 0.831 25 V CB 1.364 33.198 31.823 0.019 0.000 1.000 25 V HN 0.427 nan 8.190 nan 0.000 0.433 26 V N 6.143 126.074 119.914 0.029 0.000 2.407 26 V HA 0.480 4.600 4.120 0.000 0.000 0.278 26 V C -0.090 176.005 176.094 0.002 0.000 1.037 26 V CA -0.333 61.972 62.300 0.009 0.000 0.900 26 V CB 1.404 33.230 31.823 0.004 0.000 0.983 26 V HN 0.600 nan 8.190 nan 0.000 0.459 27 I N 3.791 124.357 120.570 -0.007 0.000 2.465 27 I HA 0.490 4.660 4.170 0.000 0.000 0.291 27 I C -0.649 175.462 176.117 -0.010 0.000 1.014 27 I CA -0.544 60.750 61.300 -0.009 0.000 1.093 27 I CB 1.766 39.756 38.000 -0.015 0.000 1.267 27 I HN 0.615 nan 8.210 nan 0.000 0.431 28 D N 3.800 124.196 120.400 -0.007 0.000 2.492 28 D HA 0.589 5.229 4.640 0.000 0.000 0.248 28 D C 0.842 177.138 176.300 -0.006 0.000 1.101 28 D CA 0.716 54.712 54.000 -0.007 0.000 0.840 28 D CB 1.772 42.569 40.800 -0.005 0.000 1.209 28 D HN 0.833 nan 8.370 nan 0.000 0.524 29 G N 4.457 113.253 108.800 -0.007 0.000 4.430 29 G HA2 -0.355 3.605 3.960 0.000 0.000 0.332 29 G HA3 -0.355 3.605 3.960 0.000 0.000 0.332 29 G C 0.794 175.690 174.900 -0.008 0.000 1.338 29 G CA 0.740 45.837 45.100 -0.007 0.000 1.024 29 G HN 0.571 nan 8.290 nan 0.000 0.750 30 E N 0.191 120.388 120.200 -0.005 0.000 2.639 30 E HA 0.218 4.568 4.350 0.000 0.000 0.225 30 E C 0.860 177.458 176.600 -0.003 0.000 0.921 30 E CA -0.207 56.190 56.400 -0.006 0.000 1.184 30 E CB 1.193 30.891 29.700 -0.004 0.000 1.160 30 E HN 0.462 nan 8.360 nan 0.000 0.547 31 R N 0.845 121.344 120.500 -0.001 0.000 2.803 31 R HA 0.517 4.857 4.340 0.000 0.000 0.276 31 R C -0.432 175.869 176.300 0.001 0.000 0.978 31 R CA -0.771 55.331 56.100 0.002 0.000 0.939 31 R CB 2.083 32.387 30.300 0.007 0.000 1.179 31 R HN -0.094 nan 8.270 nan 0.000 0.472 32 I N 1.874 122.446 120.570 0.003 0.000 2.529 32 I HA 0.003 4.173 4.170 0.000 0.000 0.284 32 I C 1.076 177.198 176.117 0.008 0.000 1.082 32 I CA -0.131 61.172 61.300 0.005 0.000 1.406 32 I CB 1.087 39.091 38.000 0.007 0.000 1.405 32 I HN 0.431 nan 8.210 nan 0.000 0.548 33 V N 3.384 123.303 119.914 0.008 0.000 2.922 33 V HA 0.167 4.287 4.120 0.000 0.000 0.242 33 V C 0.502 176.604 176.094 0.013 0.000 1.094 33 V CA 0.547 62.852 62.300 0.008 0.000 1.106 33 V CB -0.152 31.673 31.823 0.003 0.000 0.799 33 V HN 0.828 nan 8.190 nan 0.000 0.474 34 E N -0.100 120.111 120.200 0.018 0.000 2.321 34 E HA 0.489 4.839 4.350 0.000 0.000 0.281 34 E C -1.972 174.655 176.600 0.045 0.000 0.910 34 E CA -0.324 56.092 56.400 0.027 0.000 0.770 34 E CB 2.806 32.516 29.700 0.017 0.000 1.225 34 E HN 0.007 nan 8.360 nan 0.000 0.417 35 V N 3.517 123.469 119.914 0.064 0.000 2.266 35 V HA 0.376 4.496 4.120 0.000 0.000 0.271 35 V C -0.047 176.126 176.094 0.133 0.000 1.032 35 V CA -0.450 61.916 62.300 0.110 0.000 0.806 35 V CB 0.992 32.885 31.823 0.117 0.000 1.052 35 V HN 0.649 nan 8.190 nan 0.000 0.449 36 T N 1.384 115.978 114.554 0.067 0.000 2.916 36 T HA 0.435 4.785 4.350 0.000 0.000 0.292 36 T C 0.261 174.854 174.700 -0.178 0.000 1.064 36 T CA -0.284 61.788 62.100 -0.047 0.000 1.011 36 T CB 1.925 70.791 68.868 -0.004 0.000 1.152 36 T HN 0.753 nan 8.240 nan 0.000 0.510 37 D N 0.801 121.026 120.400 -0.292 0.000 2.398 37 D HA 0.105 4.745 4.640 0.000 0.000 0.210 37 D C 0.516 176.852 176.300 0.060 0.000 1.094 37 D CA -0.338 53.556 54.000 -0.176 0.000 0.839 37 D CB 0.175 40.756 40.800 -0.365 0.000 0.963 37 D HN 0.165 nan 8.370 nan 0.000 0.506 38 R N 1.757 122.268 120.500 0.018 0.000 2.756 38 R HA 0.154 4.494 4.340 0.000 0.000 0.264 38 R C -2.086 174.169 176.300 -0.076 0.000 1.026 38 R CA -1.080 55.008 56.100 -0.021 0.000 1.121 38 R CB -0.533 29.742 30.300 -0.042 0.000 0.999 38 R HN 0.123 nan 8.270 nan 0.000 0.449 39 P HA -0.080 nan 4.420 nan 0.000 0.256 39 P C 0.075 177.259 177.300 -0.195 0.000 1.189 39 P CA 0.273 63.294 63.100 -0.133 0.000 0.808 39 P CB 0.182 31.837 31.700 -0.075 0.000 0.793 40 V N 4.553 124.257 119.914 -0.351 0.000 2.479 40 V HA 0.017 4.137 4.120 0.000 0.000 0.281 40 V C 0.518 176.508 176.094 -0.174 0.000 1.031 40 V CA -0.085 62.026 62.300 -0.316 0.000 1.038 40 V CB 0.040 31.562 31.823 -0.501 0.000 0.981 40 V HN 0.478 nan 8.190 nan 0.000 0.478 41 D N 7.003 127.333 120.400 -0.117 0.000 2.374 41 D HA 0.178 4.819 4.640 0.000 0.000 0.240 41 D C -0.276 175.985 176.300 -0.066 0.000 1.229 41 D CA -0.347 53.607 54.000 -0.077 0.000 0.895 41 D CB 0.608 41.373 40.800 -0.057 0.000 1.046 41 D HN 0.652 nan 8.370 nan 0.000 0.498 42 L N 2.934 124.120 121.223 -0.062 0.000 2.283 42 L HA 0.508 4.848 4.340 0.000 0.000 0.281 42 L C -2.077 174.771 176.870 -0.035 0.000 1.033 42 L CA -1.250 53.562 54.840 -0.047 0.000 0.848 42 L CB 1.262 43.292 42.059 -0.049 0.000 1.226 42 L HN 0.036 nan 8.230 nan 0.000 0.429 43 P HA 0.079 nan 4.420 nan 0.000 0.212 43 P C 0.668 177.957 177.300 -0.020 0.000 1.171 43 P CA 0.818 63.904 63.100 -0.023 0.000 0.892 43 P CB 0.317 32.005 31.700 -0.021 0.000 0.769 44 N N -1.461 117.228 118.700 -0.019 0.000 2.184 44 N HA 0.293 5.033 4.740 0.000 0.000 0.206 44 N C -0.025 175.474 175.510 -0.017 0.000 1.151 44 N CA -0.255 52.786 53.050 -0.016 0.000 0.878 44 N CB 0.207 38.685 38.487 -0.013 0.000 1.014 44 N HN 0.045 nan 8.380 nan 0.000 0.512 45 A N 0.725 123.533 122.820 -0.021 0.000 2.445 45 A HA 0.063 4.383 4.320 0.000 0.000 0.242 45 A C 0.109 177.680 177.584 -0.022 0.000 1.075 45 A CA 0.028 52.052 52.037 -0.022 0.000 0.777 45 A CB 0.388 19.372 19.000 -0.027 0.000 1.013 45 A HN 0.337 nan 8.150 nan 0.000 0.493 46 Q N 0.938 120.725 119.800 -0.022 0.000 2.267 46 Q HA 0.498 4.838 4.340 0.000 0.000 0.255 46 Q C -0.274 175.708 176.000 -0.031 0.000 0.923 46 Q CA -0.343 55.446 55.803 -0.023 0.000 0.925 46 Q CB 1.056 29.782 28.738 -0.020 0.000 1.195 46 Q HN 0.843 nan 8.270 nan 0.000 0.417 47 A N 5.279 128.081 122.820 -0.030 0.000 2.309 47 A HA 0.598 4.918 4.320 0.000 0.000 0.298 47 A C -0.601 176.949 177.584 -0.058 0.000 1.165 47 A CA -0.528 51.488 52.037 -0.036 0.000 0.821 47 A CB 0.427 19.412 19.000 -0.024 0.000 1.102 47 A HN 0.794 nan 8.150 nan 0.000 0.500 48 I N 2.060 122.577 120.570 -0.088 0.000 2.468 48 I HA 0.199 4.369 4.170 0.000 0.000 0.284 48 I C -0.994 175.040 176.117 -0.139 0.000 1.038 48 I CA -0.664 60.536 61.300 -0.168 0.000 1.083 48 I CB 1.947 39.759 38.000 -0.313 0.000 1.223 48 I HN 0.559 nan 8.210 nan 0.000 0.443 49 D N 5.783 126.126 120.400 -0.094 0.000 2.343 49 D HA 0.269 4.909 4.640 0.000 0.000 0.255 49 D C 0.251 176.518 176.300 -0.055 0.000 1.187 49 D CA 0.101 54.077 54.000 -0.039 0.000 0.875 49 D CB 1.514 42.318 40.800 0.005 0.000 1.136 49 D HN 0.278 nan 8.370 nan 0.000 0.469 50 V N 4.573 124.464 119.914 -0.039 0.000 3.078 50 V HA 0.117 4.237 4.120 0.000 0.000 0.344 50 V C 0.783 176.871 176.094 -0.009 0.000 1.409 50 V CA -0.761 61.520 62.300 -0.031 0.000 1.146 50 V CB -0.692 31.091 31.823 -0.066 0.000 1.126 50 V HN 0.533 nan 8.190 nan 0.000 0.513 51 R N 2.051 122.558 120.500 0.010 0.000 2.585 51 R HA 0.221 4.561 4.340 0.000 0.000 0.275 51 R C 0.898 177.205 176.300 0.012 0.000 1.018 51 R CA 1.256 57.369 56.100 0.022 0.000 1.072 51 R CB -0.031 30.301 30.300 0.053 0.000 0.953 51 R HN 0.842 nan 8.270 nan 0.000 0.419 52 G N 2.290 111.082 108.800 -0.013 0.000 2.225 52 G HA2 -0.328 3.632 3.960 0.000 0.000 0.267 52 G HA3 -0.328 3.632 3.960 0.000 0.000 0.267 52 G C -0.442 174.445 174.900 -0.022 0.000 1.024 52 G CA 0.946 46.032 45.100 -0.023 0.000 0.784 52 G HN 0.686 nan 8.290 nan 0.000 0.507 53 K N -0.435 119.949 120.400 -0.028 0.000 2.469 53 K HA 0.507 4.827 4.320 0.000 0.000 0.254 53 K C -0.238 176.341 176.600 -0.034 0.000 0.939 53 K CA -0.723 55.554 56.287 -0.017 0.000 0.812 53 K CB 1.559 34.069 32.500 0.016 0.000 1.301 53 K HN 0.039 nan 8.250 nan 0.000 0.433 54 T N 1.723 116.257 114.554 -0.032 0.000 2.769 54 T HA 0.111 4.461 4.350 0.000 0.000 0.293 54 T C -0.035 174.639 174.700 -0.043 0.000 0.931 54 T CA -0.397 61.677 62.100 -0.044 0.000 1.139 54 T CB 0.216 69.061 68.868 -0.039 0.000 0.881 54 T HN 0.130 nan 8.240 nan 0.000 0.532 55 V N 6.779 126.661 119.914 -0.054 0.000 2.406 55 V HA 0.504 4.624 4.120 0.000 0.000 0.272 55 V C 0.273 176.326 176.094 -0.067 0.000 1.043 55 V CA -0.441 61.824 62.300 -0.059 0.000 0.915 55 V CB 0.324 32.115 31.823 -0.053 0.000 0.988 55 V HN 0.916 nan 8.190 nan 0.000 0.466 56 M N 5.432 124.980 119.600 -0.087 0.000 2.631 56 M HA 0.782 5.262 4.480 0.000 0.000 0.288 56 M C -3.101 173.118 176.300 -0.134 0.000 1.260 56 M CA -2.268 52.979 55.300 -0.090 0.000 0.842 56 M CB 2.491 35.054 32.600 -0.062 0.000 1.743 56 M HN 0.172 nan 8.290 nan 0.000 0.461 57 P HA 0.213 nan 4.420 nan 0.000 0.271 57 P C -0.115 177.030 177.300 -0.258 0.000 1.218 57 P CA 0.098 63.127 63.100 -0.119 0.000 0.780 57 P CB 0.396 32.073 31.700 -0.039 0.000 0.901 58 G N 2.378 111.020 108.800 -0.263 0.000 2.378 58 G HA2 0.282 4.242 3.960 0.000 0.000 0.255 58 G HA3 0.282 4.242 3.960 0.000 0.000 0.255 58 G C -0.530 174.200 174.900 -0.283 0.000 1.270 58 G CA -0.284 44.569 45.100 -0.412 0.000 0.876 58 G HN 0.218 nan 8.290 nan 0.000 0.521 59 F N 1.017 120.865 119.950 -0.171 0.000 2.518 59 F HA 0.315 4.842 4.527 0.000 0.000 0.359 59 F C 0.928 176.751 175.800 0.038 0.000 1.118 59 F CA -0.626 57.252 58.000 -0.204 0.000 1.287 59 F CB 0.467 39.051 39.000 -0.694 0.000 1.132 59 F HN 0.170 nan 8.300 nan 0.000 0.587 60 I N 2.649 123.418 120.570 0.332 0.000 2.382 60 I HA 0.156 4.326 4.170 0.000 0.000 0.286 60 I C -0.417 175.977 176.117 0.462 0.000 1.002 60 I CA -0.700 60.826 61.300 0.377 0.000 1.135 60 I CB 1.346 39.503 38.000 0.261 0.000 1.288 60 I HN 0.481 nan 8.210 nan 0.000 0.448 61 D N 5.366 126.093 120.400 0.544 0.000 2.277 61 D HA 0.154 4.794 4.640 0.000 0.000 0.249 61 D C 0.353 176.821 176.300 0.280 0.000 1.134 61 D CA -0.245 54.028 54.000 0.454 0.000 0.863 61 D CB 1.632 42.530 40.800 0.164 0.000 1.143 61 D HN 0.594 nan 8.370 nan 0.000 0.458 62 C N 2.624 122.071 119.300 0.244 0.000 2.697 62 C HA 0.136 4.596 4.460 0.000 0.000 0.267 62 C C 0.870 175.925 174.990 0.109 0.000 1.278 62 C CA -0.259 58.846 59.018 0.146 0.000 1.708 62 C CB -1.554 26.249 27.740 0.105 0.000 1.860 62 C HN 0.598 nan 8.230 nan 0.000 0.589 63 H N 0.325 119.383 119.070 -0.019 0.000 2.895 63 H HA 0.478 5.034 4.556 0.000 0.000 0.282 63 H C -0.720 174.520 175.328 -0.147 0.000 1.338 63 H CA -0.182 55.798 56.048 -0.113 0.000 1.595 63 H CB 0.507 30.170 29.762 -0.165 0.000 1.771 63 H HN 0.118 nan 8.280 nan 0.000 0.573 64 V N 0.853 120.687 119.914 -0.133 0.000 3.019 64 V HA 0.556 4.676 4.120 0.000 0.000 0.317 64 V C -0.464 175.481 176.094 -0.249 0.000 1.094 64 V CA -0.812 61.439 62.300 -0.081 0.000 1.000 64 V CB 2.332 34.154 31.823 -0.003 0.000 1.060 64 V HN 0.680 nan 8.190 nan 0.000 0.443 65 H N 1.750 120.896 119.070 0.127 0.000 2.791 65 H HA 0.441 4.997 4.556 0.000 0.000 0.272 65 H C 0.720 176.129 175.328 0.135 0.000 1.188 65 H CA -0.314 55.800 56.048 0.110 0.000 1.436 65 H CB 1.678 31.512 29.762 0.120 0.000 1.467 65 H HN 0.553 nan 8.280 nan 0.000 0.500 66 V N 2.571 122.574 119.914 0.148 0.000 2.332 66 V HA -0.233 3.887 4.120 0.000 0.000 0.248 66 V C 2.151 178.249 176.094 0.006 0.000 1.055 66 V CA 1.519 63.839 62.300 0.034 0.000 1.038 66 V CB -0.194 31.632 31.823 0.005 0.000 0.651 66 V HN 0.533 nan 8.190 nan 0.000 0.450 67 L N 0.383 121.638 121.223 0.053 0.000 2.627 67 L HA 0.296 4.636 4.340 0.000 0.000 0.232 67 L C 1.267 178.152 176.870 0.025 0.000 1.150 67 L CA -0.067 54.785 54.840 0.021 0.000 0.917 67 L CB -0.270 41.802 42.059 0.021 0.000 1.104 67 L HN 0.242 nan 8.230 nan 0.000 0.445 68 A N -0.052 122.822 122.820 0.090 0.000 2.915 68 A HA 0.209 4.529 4.320 0.000 0.000 0.292 68 A C 1.556 179.207 177.584 0.112 0.000 1.632 68 A CA 0.216 52.315 52.037 0.103 0.000 1.337 68 A CB -0.169 18.949 19.000 0.197 0.000 1.111 68 A HN 0.414 nan 8.150 nan 0.000 0.569 69 S N 1.512 117.222 115.700 0.016 0.000 2.453 69 S HA -0.062 4.408 4.470 0.000 0.000 0.231 69 S C 0.593 175.189 174.600 -0.008 0.000 1.005 69 S CA 0.606 58.799 58.200 -0.011 0.000 0.949 69 S CB -0.555 62.622 63.200 -0.038 0.000 0.774 69 S HN 0.951 nan 8.310 nan 0.000 0.510 70 N N -1.774 116.920 118.700 -0.011 0.000 2.647 70 N HA 0.683 5.423 4.740 0.000 0.000 0.266 70 N C 0.608 176.112 175.510 -0.010 0.000 1.373 70 N CA -0.445 52.592 53.050 -0.022 0.000 0.807 70 N CB 0.984 39.445 38.487 -0.044 0.000 1.513 70 N HN -0.053 nan 8.380 nan 0.000 0.505 71 A N 0.565 123.392 122.820 0.011 0.000 1.898 71 A HA -0.110 4.210 4.320 0.000 0.000 0.216 71 A C 1.039 178.623 177.584 0.001 0.000 1.181 71 A CA 1.161 53.223 52.037 0.043 0.000 0.620 71 A CB -0.898 18.178 19.000 0.127 0.000 0.819 71 A HN 0.745 nan 8.150 nan 0.000 0.442 72 N N 1.051 119.739 118.700 -0.020 0.000 2.406 72 N HA 0.162 4.902 4.740 0.000 0.000 0.269 72 N C 0.552 175.957 175.510 -0.175 0.000 1.210 72 N CA 0.090 53.100 53.050 -0.067 0.000 0.966 72 N CB 0.089 38.550 38.487 -0.044 0.000 1.293 72 N HN 0.383 nan 8.380 nan 0.000 0.491 73 L N 1.891 122.949 121.223 -0.276 0.000 2.291 73 L HA 0.023 4.363 4.340 0.000 0.000 0.214 73 L C 2.091 178.401 176.870 -0.932 0.000 1.120 73 L CA 0.837 55.356 54.840 -0.534 0.000 0.799 73 L CB -0.202 41.530 42.059 -0.545 0.000 0.925 73 L HN 0.574 nan 8.230 nan 0.000 0.446 74 G N -0.945 107.366 108.800 -0.814 0.000 2.421 74 G HA2 -0.172 3.788 3.960 0.000 0.000 0.217 74 G HA3 -0.172 3.788 3.960 0.000 0.000 0.217 74 G C 1.511 176.234 174.900 -0.294 0.000 1.143 74 G CA 0.554 45.284 45.100 -0.615 0.000 0.784 74 G HN 0.202 nan 8.290 nan 0.000 0.541 75 V N 0.554 120.337 119.914 -0.217 0.000 3.235 75 V HA 0.054 4.174 4.120 0.000 0.000 0.259 75 V C 2.239 178.258 176.094 -0.125 0.000 1.133 75 V CA 1.293 63.518 62.300 -0.125 0.000 1.128 75 V CB -0.075 31.701 31.823 -0.077 0.000 0.757 75 V HN 0.445 nan 8.190 nan 0.000 0.469 76 N N 0.389 118.982 118.700 -0.179 0.000 2.309 76 N HA -0.065 4.675 4.740 0.000 0.000 0.182 76 N C 1.760 177.196 175.510 -0.123 0.000 1.018 76 N CA 1.341 54.304 53.050 -0.145 0.000 0.876 76 N CB -0.118 38.266 38.487 -0.171 0.000 0.972 76 N HN 0.471 nan 8.380 nan 0.000 0.434 77 A N -0.554 122.173 122.820 -0.154 0.000 1.929 77 A HA -0.084 4.236 4.320 0.000 0.000 0.216 77 A C 2.112 179.674 177.584 -0.035 0.000 1.176 77 A CA 1.816 53.806 52.037 -0.079 0.000 0.628 77 A CB -1.056 17.907 19.000 -0.062 0.000 0.816 77 A HN 0.514 nan 8.150 nan 0.000 0.444 78 T N -0.617 113.911 114.554 -0.044 0.000 3.148 78 T HA 0.090 4.440 4.350 0.000 0.000 0.253 78 T C 0.832 175.521 174.700 -0.018 0.000 1.134 78 T CA 0.278 62.367 62.100 -0.019 0.000 1.051 78 T CB -0.570 68.288 68.868 -0.017 0.000 0.959 78 T HN 0.712 nan 8.240 nan 0.000 0.525 79 Q N 1.665 121.448 119.800 -0.028 0.000 2.337 79 Q HA 0.300 4.640 4.340 0.000 0.000 0.270 79 Q C -2.759 173.234 176.000 -0.012 0.000 1.002 79 Q CA -2.059 53.730 55.803 -0.023 0.000 0.888 79 Q CB -0.048 28.671 28.738 -0.031 0.000 1.222 79 Q HN 0.088 nan 8.270 nan 0.000 0.400 80 P HA -0.037 nan 4.420 nan 0.000 0.265 80 P C -0.097 177.202 177.300 -0.001 0.000 1.187 80 P CA -0.019 63.079 63.100 -0.003 0.000 0.766 80 P CB 0.549 32.245 31.700 -0.007 0.000 0.820 81 N N 2.442 121.147 118.700 0.007 0.000 2.036 81 N HA -0.206 4.534 4.740 0.000 0.000 0.199 81 N C 1.509 177.022 175.510 0.006 0.000 1.036 81 N CA 1.257 54.315 53.050 0.014 0.000 0.870 81 N CB -0.844 37.655 38.487 0.020 0.000 1.055 81 N HN 0.468 nan 8.380 nan 0.000 0.436 82 I N 0.296 120.866 120.570 -0.000 0.000 2.394 82 I HA -0.106 4.064 4.170 0.000 0.000 0.251 82 I C 1.657 177.767 176.117 -0.012 0.000 1.136 82 I CA 1.026 62.322 61.300 -0.006 0.000 1.425 82 I CB -0.495 37.501 38.000 -0.007 0.000 1.079 82 I HN 0.171 nan 8.210 nan 0.000 0.425 83 L N 1.027 122.242 121.223 -0.013 0.000 2.191 83 L HA -0.143 4.197 4.340 0.000 0.000 0.212 83 L C 2.756 179.613 176.870 -0.022 0.000 1.103 83 L CA 1.147 55.976 54.840 -0.018 0.000 0.769 83 L CB -0.417 41.631 42.059 -0.018 0.000 0.908 83 L HN 0.329 nan 8.230 nan 0.000 0.438 84 A N -0.415 122.395 122.820 -0.018 0.000 1.872 84 A HA -0.109 4.211 4.320 0.000 0.000 0.214 84 A C 2.466 180.037 177.584 -0.022 0.000 1.187 84 A CA 1.378 53.403 52.037 -0.020 0.000 0.614 84 A CB -0.664 18.328 19.000 -0.012 0.000 0.826 84 A HN 0.401 nan 8.150 nan 0.000 0.442 85 A N -0.106 122.704 122.820 -0.016 0.000 1.933 85 A HA -0.058 4.262 4.320 0.000 0.000 0.218 85 A C 1.966 179.533 177.584 -0.029 0.000 1.175 85 A CA 1.609 53.634 52.037 -0.019 0.000 0.628 85 A CB -0.477 18.516 19.000 -0.011 0.000 0.814 85 A HN 0.400 nan 8.150 nan 0.000 0.444 86 I N -0.244 120.308 120.570 -0.029 0.000 2.315 86 I HA -0.158 4.012 4.170 0.000 0.000 0.248 86 I C 2.366 178.457 176.117 -0.043 0.000 1.117 86 I CA 1.286 62.566 61.300 -0.034 0.000 1.404 86 I CB -1.194 36.788 38.000 -0.029 0.000 1.071 86 I HN 0.351 nan 8.210 nan 0.000 0.419 87 R N 0.577 121.050 120.500 -0.045 0.000 2.280 87 R HA -0.066 4.274 4.340 0.000 0.000 0.207 87 R C 2.267 178.521 176.300 -0.076 0.000 1.043 87 R CA 1.228 57.293 56.100 -0.057 0.000 1.006 87 R CB -0.150 30.118 30.300 -0.053 0.000 0.885 87 R HN 0.458 nan 8.270 nan 0.000 0.467 88 S N 0.280 115.938 115.700 -0.070 0.000 2.470 88 S HA 0.029 4.499 4.470 0.000 0.000 0.225 88 S C 1.959 176.507 174.600 -0.087 0.000 1.006 88 S CA 0.176 58.324 58.200 -0.087 0.000 0.934 88 S CB -0.100 63.062 63.200 -0.062 0.000 0.778 88 S HN 0.197 nan 8.310 nan 0.000 0.517 89 L N 1.179 122.361 121.223 -0.068 0.000 2.046 89 L HA 0.041 4.381 4.340 0.000 0.000 0.208 89 L C -0.633 176.199 176.870 -0.063 0.000 1.077 89 L CA 1.095 55.899 54.840 -0.060 0.000 0.747 89 L CB -1.916 40.113 42.059 -0.049 0.000 0.896 89 L HN 0.290 nan 8.230 nan 0.000 0.432 90 P HA -0.088 nan 4.420 nan 0.000 0.219 90 P C 1.853 179.101 177.300 -0.085 0.000 1.150 90 P CA 1.219 64.278 63.100 -0.069 0.000 0.814 90 P CB 0.109 31.767 31.700 -0.071 0.000 0.787 91 I N -1.208 119.285 120.570 -0.128 0.000 2.179 91 I HA -0.220 3.950 4.170 0.000 0.000 0.242 91 I C 2.242 178.287 176.117 -0.119 0.000 1.088 91 I CA 1.322 62.510 61.300 -0.188 0.000 1.357 91 I CB -0.681 37.106 38.000 -0.355 0.000 1.051 91 I HN -0.124 nan 8.210 nan 0.000 0.409 92 L N 0.314 121.482 121.223 -0.092 0.000 2.131 92 L HA -0.257 4.083 4.340 0.000 0.000 0.210 92 L C 2.062 178.918 176.870 -0.024 0.000 1.092 92 L CA 1.378 56.187 54.840 -0.052 0.000 0.759 92 L CB -0.444 41.584 42.059 -0.052 0.000 0.903 92 L HN 0.251 nan 8.230 nan 0.000 0.435 93 D N -0.696 119.686 120.400 -0.030 0.000 2.194 93 D HA -0.077 4.563 4.640 0.000 0.000 0.204 93 D C 2.149 178.452 176.300 0.005 0.000 0.964 93 D CA 1.049 55.041 54.000 -0.013 0.000 0.846 93 D CB 0.196 40.983 40.800 -0.023 0.000 0.962 93 D HN 0.246 nan 8.370 nan 0.000 0.490 94 A N -0.149 122.668 122.820 -0.004 0.000 1.969 94 A HA -0.089 4.231 4.320 0.000 0.000 0.218 94 A C 2.207 179.834 177.584 0.073 0.000 1.169 94 A CA 0.975 53.023 52.037 0.019 0.000 0.635 94 A CB -0.437 18.558 19.000 -0.009 0.000 0.810 94 A HN 0.227 nan 8.150 nan 0.000 0.445 95 M N -1.438 118.202 119.600 0.067 0.000 2.200 95 M HA -0.030 4.450 4.480 0.000 0.000 0.265 95 M C 2.085 178.530 176.300 0.242 0.000 1.066 95 M CA 1.079 56.459 55.300 0.134 0.000 1.127 95 M CB -0.220 32.411 32.600 0.051 0.000 1.379 95 M HN 0.441 nan 8.290 nan 0.000 0.420 96 L N 0.153 121.463 121.223 0.144 0.000 2.179 96 L HA -0.060 4.280 4.340 0.000 0.000 0.208 96 L C 2.518 179.454 176.870 0.109 0.000 1.096 96 L CA 1.728 56.644 54.840 0.127 0.000 0.779 96 L CB -0.508 41.587 42.059 0.059 0.000 0.922 96 L HN 0.289 nan 8.230 nan 0.000 0.443 97 S N -1.450 114.308 115.700 0.097 0.000 2.428 97 S HA -0.109 4.361 4.470 0.000 0.000 0.230 97 S C 2.044 176.712 174.600 0.113 0.000 1.014 97 S CA 0.357 58.600 58.200 0.073 0.000 0.957 97 S CB -0.550 62.677 63.200 0.045 0.000 0.784 97 S HN 0.461 nan 8.310 nan 0.000 0.499 98 R N 0.899 121.523 120.500 0.206 0.000 2.339 98 R HA 0.154 4.494 4.340 0.000 0.000 0.199 98 R C 1.544 178.024 176.300 0.298 0.000 1.018 98 R CA 0.570 56.846 56.100 0.293 0.000 1.036 98 R CB -0.244 30.326 30.300 0.450 0.000 0.899 98 R HN 0.681 nan 8.270 nan 0.000 0.473 99 G N -0.205 108.710 108.800 0.191 0.000 2.201 99 G HA2 -0.238 3.722 3.960 0.000 0.000 0.212 99 G HA3 -0.238 3.722 3.960 0.000 0.000 0.212 99 G C -0.013 174.806 174.900 -0.135 0.000 0.994 99 G CA -0.637 44.440 45.100 -0.040 0.000 0.644 99 G HN 0.197 nan 8.290 nan 0.000 0.508 100 F N 2.909 122.986 119.950 0.211 0.000 2.468 100 F HA 0.391 4.918 4.527 0.000 0.000 0.356 100 F C 2.029 177.870 175.800 0.069 0.000 1.167 100 F CA 0.809 58.923 58.000 0.190 0.000 1.135 100 F CB 1.104 40.236 39.000 0.219 0.000 1.197 100 F HN 0.121 nan 8.300 nan 0.000 0.569 101 T N -2.161 112.462 114.554 0.115 0.000 3.067 101 T HA 0.119 4.469 4.350 0.000 0.000 0.261 101 T C 0.643 175.390 174.700 0.078 0.000 1.110 101 T CA 0.216 62.348 62.100 0.052 0.000 1.113 101 T CB 0.066 68.918 68.868 -0.027 0.000 0.917 101 T HN 0.320 nan 8.240 nan 0.000 0.499 102 S N 0.163 115.957 115.700 0.157 0.000 2.546 102 S HA 0.711 5.181 4.470 0.000 0.000 0.274 102 S C -0.966 173.774 174.600 0.233 0.000 1.121 102 S CA -0.757 57.530 58.200 0.145 0.000 0.887 102 S CB 2.341 65.656 63.200 0.191 0.000 1.094 102 S HN 0.608 nan 8.310 nan 0.000 0.474 103 V N 0.060 120.080 119.914 0.177 0.000 3.078 103 V HA 0.759 4.879 4.120 0.000 0.000 0.311 103 V C -0.846 175.408 176.094 0.267 0.000 1.138 103 V CA -1.128 61.289 62.300 0.195 0.000 1.007 103 V CB 2.013 33.892 31.823 0.094 0.000 1.045 103 V HN 0.872 nan 8.190 nan 0.000 0.432 104 R N 1.446 122.076 120.500 0.215 0.000 2.388 104 R HA 0.432 4.772 4.340 0.000 0.000 0.314 104 R C -0.945 175.371 176.300 0.027 0.000 0.959 104 R CA -0.405 55.811 56.100 0.193 0.000 0.851 104 R CB 1.182 31.571 30.300 0.149 0.000 1.168 104 R HN 1.050 nan 8.270 nan 0.000 0.472 105 D N 2.389 122.801 120.400 0.020 0.000 2.399 105 D HA 0.126 4.766 4.640 0.000 0.000 0.241 105 D C 0.260 176.467 176.300 -0.156 0.000 1.133 105 D CA 0.319 54.283 54.000 -0.061 0.000 0.890 105 D CB 1.379 42.185 40.800 0.010 0.000 1.201 105 D HN 0.590 nan 8.370 nan 0.000 0.432 106 A N 2.686 125.310 122.820 -0.327 0.000 2.503 106 A HA 0.588 4.908 4.320 0.000 0.000 0.263 106 A C 0.584 178.186 177.584 0.030 0.000 1.258 106 A CA 0.295 52.097 52.037 -0.393 0.000 0.936 106 A CB -0.277 18.046 19.000 -1.128 0.000 1.070 106 A HN 0.812 nan 8.150 nan 0.000 0.522 107 G N -2.039 106.847 108.800 0.144 0.000 2.789 107 G HA2 0.517 4.477 3.960 0.000 0.000 0.353 107 G HA3 0.517 4.477 3.960 0.000 0.000 0.353 107 G C 0.361 175.386 174.900 0.208 0.000 1.220 107 G CA 0.280 45.499 45.100 0.199 0.000 1.204 107 G HN 1.659 nan 8.290 nan 0.000 0.574 108 G N 0.357 109.231 108.800 0.124 0.000 4.386 108 G HA2 0.545 4.505 3.960 0.000 0.000 0.185 108 G HA3 0.545 4.505 3.960 0.000 0.000 0.185 108 G C 0.918 175.862 174.900 0.072 0.000 1.725 108 G CA 1.422 46.578 45.100 0.092 0.000 0.941 108 G HN 2.308 nan 8.290 nan 0.000 0.315 109 A N 1.401 124.265 122.820 0.072 0.000 2.425 109 A HA 0.562 4.882 4.320 0.000 0.000 0.242 109 A C 0.229 177.850 177.584 0.062 0.000 1.077 109 A CA 1.095 53.163 52.037 0.051 0.000 0.781 109 A CB 0.108 19.128 19.000 0.034 0.000 1.020 109 A HN 0.903 nan 8.150 nan 0.000 0.494 110 D N -0.268 120.172 120.400 0.067 0.000 2.687 110 D HA 0.115 4.755 4.640 0.000 0.000 0.264 110 D C 0.536 176.921 176.300 0.142 0.000 1.091 110 D CA -0.851 53.217 54.000 0.114 0.000 1.123 110 D CB -0.100 40.778 40.800 0.129 0.000 1.407 110 D HN 0.549 nan 8.370 nan 0.000 0.591 111 W N 0.836 122.137 121.300 0.002 0.000 2.387 111 W HA -0.157 4.503 4.660 0.000 0.000 0.272 111 W C 1.636 178.151 176.519 -0.008 0.000 1.224 111 W CA 2.139 59.482 57.345 -0.003 0.000 1.210 111 W CB -0.132 29.329 29.460 0.002 0.000 1.125 111 W HN 0.320 nan 8.180 nan 0.000 0.572 112 S N 0.572 116.300 115.700 0.046 0.000 2.371 112 S HA -0.167 4.303 4.470 0.000 0.000 0.224 112 S C 1.842 176.331 174.600 -0.185 0.000 1.029 112 S CA 1.375 59.503 58.200 -0.119 0.000 0.978 112 S CB -0.697 62.529 63.200 0.043 0.000 0.833 112 S HN 0.298 nan 8.310 nan 0.000 0.466 113 L N 0.843 122.003 121.223 -0.106 0.000 2.156 113 L HA 0.025 4.365 4.340 0.000 0.000 0.208 113 L C 2.561 179.334 176.870 -0.160 0.000 1.095 113 L CA 0.886 55.661 54.840 -0.109 0.000 0.770 113 L CB -0.342 41.682 42.059 -0.058 0.000 0.914 113 L HN 0.366 nan 8.230 nan 0.000 0.439 114 M N -0.995 118.484 119.600 -0.200 0.000 2.132 114 M HA -0.219 4.261 4.480 0.000 0.000 0.263 114 M C 2.347 178.452 176.300 -0.325 0.000 1.065 114 M CA 1.583 56.737 55.300 -0.244 0.000 1.122 114 M CB 0.004 32.471 32.600 -0.221 0.000 1.365 114 M HN 0.212 nan 8.290 nan 0.000 0.411 115 Q N 0.122 119.627 119.800 -0.491 0.000 2.084 115 Q HA -0.120 4.220 4.340 0.000 0.000 0.202 115 Q C 2.156 177.984 176.000 -0.287 0.000 0.978 115 Q CA 1.862 57.371 55.803 -0.491 0.000 0.844 115 Q CB -0.668 27.628 28.738 -0.738 0.000 0.898 115 Q HN 0.688 nan 8.270 nan 0.000 0.426 116 A N 0.832 123.511 122.820 -0.236 0.000 1.908 116 A HA -0.165 4.155 4.320 0.000 0.000 0.218 116 A C 2.306 179.813 177.584 -0.128 0.000 1.181 116 A CA 2.182 54.127 52.037 -0.154 0.000 0.627 116 A CB -0.837 18.089 19.000 -0.123 0.000 0.818 116 A HN 0.314 nan 8.150 nan 0.000 0.445 117 V N -2.709 117.124 119.914 -0.136 0.000 2.488 117 V HA -0.103 4.017 4.120 0.000 0.000 0.246 117 V C 1.817 177.844 176.094 -0.112 0.000 1.046 117 V CA 2.054 64.287 62.300 -0.112 0.000 1.053 117 V CB -0.854 30.903 31.823 -0.110 0.000 0.679 117 V HN 0.560 nan 8.190 nan 0.000 0.458 118 E N 1.276 121.393 120.200 -0.139 0.000 2.216 118 E HA -0.071 4.279 4.350 0.000 0.000 0.192 118 E C 2.101 178.642 176.600 -0.099 0.000 0.988 118 E CA 1.497 57.825 56.400 -0.120 0.000 0.834 118 E CB -0.095 29.522 29.700 -0.138 0.000 0.772 118 E HN 0.874 nan 8.360 nan 0.000 0.479 119 T N -2.931 111.558 114.554 -0.109 0.000 3.122 119 T HA 0.276 4.626 4.350 0.000 0.000 0.250 119 T C 1.339 175.998 174.700 -0.068 0.000 1.067 119 T CA 0.299 62.348 62.100 -0.084 0.000 0.966 119 T CB 0.616 69.428 68.868 -0.094 0.000 1.002 119 T HN 0.192 nan 8.240 nan 0.000 0.542 120 G N 0.970 109.729 108.800 -0.069 0.000 2.147 120 G HA2 -0.220 3.740 3.960 0.000 0.000 0.244 120 G HA3 -0.220 3.740 3.960 0.000 0.000 0.244 120 G C 0.412 175.281 174.900 -0.051 0.000 1.005 120 G CA 0.333 45.400 45.100 -0.054 0.000 0.713 120 G HN 0.483 nan 8.290 nan 0.000 0.515 121 L N -0.922 120.264 121.223 -0.062 0.000 2.162 121 L HA 0.389 4.729 4.340 0.000 0.000 0.205 121 L C 1.326 178.166 176.870 -0.051 0.000 1.086 121 L CA 1.276 56.083 54.840 -0.055 0.000 0.778 121 L CB 0.330 42.351 42.059 -0.064 0.000 0.928 121 L HN 0.203 nan 8.230 nan 0.000 0.446 122 V N -1.298 118.581 119.914 -0.057 0.000 2.638 122 V HA 0.282 4.402 4.120 0.000 0.000 0.306 122 V C -0.181 175.884 176.094 -0.049 0.000 1.052 122 V CA -0.863 61.406 62.300 -0.051 0.000 0.885 122 V CB 1.899 33.690 31.823 -0.055 0.000 0.999 122 V HN -0.000 nan 8.190 nan 0.000 0.424 123 S N 3.158 118.835 115.700 -0.039 0.000 2.498 123 S HA 0.631 5.101 4.470 0.000 0.000 0.281 123 S C 0.278 174.859 174.600 -0.030 0.000 1.265 123 S CA 0.641 58.822 58.200 -0.031 0.000 1.071 123 S CB -0.217 62.969 63.200 -0.023 0.000 0.894 123 S HN 1.332 nan 8.310 nan 0.000 0.491 124 G N 4.883 113.666 108.800 -0.029 0.000 2.466 124 G HA2 0.459 4.419 3.960 0.000 0.000 0.291 124 G HA3 0.459 4.419 3.960 0.000 0.000 0.291 124 G C -3.511 171.378 174.900 -0.019 0.000 1.460 124 G CA -0.917 44.170 45.100 -0.022 0.000 0.791 124 G HN 0.469 nan 8.290 nan 0.000 0.505 125 P HA 0.240 nan 4.420 nan 0.000 0.272 125 P C -0.326 176.936 177.300 -0.063 0.000 1.240 125 P CA -0.418 62.684 63.100 0.004 0.000 0.791 125 P CB 0.806 32.545 31.700 0.065 0.000 0.978 126 R N 1.839 122.278 120.500 -0.102 0.000 2.351 126 R HA 0.228 4.568 4.340 0.000 0.000 0.318 126 R C -0.232 175.865 176.300 -0.338 0.000 1.055 126 R CA -0.080 55.880 56.100 -0.233 0.000 0.968 126 R CB -0.792 29.342 30.300 -0.277 0.000 0.974 126 R HN 0.375 nan 8.270 nan 0.000 0.439 127 I N 5.690 126.070 120.570 -0.318 0.000 2.365 127 I HA 0.174 4.344 4.170 0.000 0.000 0.291 127 I C -0.430 175.474 176.117 -0.355 0.000 1.004 127 I CA -0.388 60.768 61.300 -0.239 0.000 1.311 127 I CB 0.976 38.905 38.000 -0.118 0.000 1.401 127 I HN 0.538 nan 8.210 nan 0.000 0.491 128 F N 7.568 127.526 119.950 0.013 0.000 2.303 128 F HA 0.326 4.853 4.527 0.000 0.000 0.368 128 F C -1.987 173.812 175.800 -0.002 0.000 1.105 128 F CA -2.246 55.761 58.000 0.013 0.000 1.153 128 F CB 0.741 39.755 39.000 0.023 0.000 1.362 128 F HN 0.234 nan 8.300 nan 0.000 0.511 129 P HA 0.128 nan 4.420 nan 0.000 0.280 129 P C -0.012 177.326 177.300 0.063 0.000 1.244 129 P CA -0.156 62.998 63.100 0.090 0.000 0.784 129 P CB 1.907 33.664 31.700 0.094 0.000 0.913 130 S N 1.537 117.257 115.700 0.033 0.000 2.478 130 S HA 0.233 4.703 4.470 0.000 0.000 0.222 130 S C 1.254 175.865 174.600 0.018 0.000 1.008 130 S CA 0.734 58.935 58.200 0.002 0.000 0.928 130 S CB -0.615 62.579 63.200 -0.010 0.000 0.781 130 S HN 0.910 nan 8.310 nan 0.000 0.518 131 G N 2.130 110.956 108.800 0.043 0.000 2.498 131 G HA2 -0.210 3.750 3.960 0.000 0.000 0.251 131 G HA3 -0.210 3.750 3.960 0.000 0.000 0.251 131 G C -0.791 174.138 174.900 0.048 0.000 1.170 131 G CA -0.388 44.740 45.100 0.048 0.000 0.944 131 G HN 0.282 nan 8.290 nan 0.000 0.567 132 K N 1.258 121.681 120.400 0.037 0.000 2.118 132 K HA 0.705 5.025 4.320 0.000 0.000 0.267 132 K C 0.676 177.300 176.600 0.040 0.000 0.991 132 K CA 0.207 56.517 56.287 0.040 0.000 0.916 132 K CB 1.450 33.964 32.500 0.023 0.000 1.041 132 K HN 1.133 nan 8.250 nan 0.000 0.455 133 A N 2.999 125.851 122.820 0.054 0.000 2.351 133 A HA 0.413 4.733 4.320 0.000 0.000 0.257 133 A C -0.029 177.591 177.584 0.061 0.000 1.087 133 A CA -0.484 51.591 52.037 0.063 0.000 0.798 133 A CB 0.150 19.198 19.000 0.080 0.000 1.033 133 A HN 0.629 nan 8.150 nan 0.000 0.488 134 L N 1.596 122.878 121.223 0.099 0.000 2.289 134 L HA 0.583 4.923 4.340 0.000 0.000 0.285 134 L C 0.394 177.408 176.870 0.239 0.000 1.049 134 L CA -0.206 54.728 54.840 0.158 0.000 0.804 134 L CB 1.460 43.610 42.059 0.152 0.000 1.195 134 L HN 0.696 nan 8.230 nan 0.000 0.428 135 S N 2.123 117.906 115.700 0.137 0.000 2.548 135 S HA 0.451 4.922 4.470 0.000 0.000 0.276 135 S C -0.781 173.678 174.600 -0.236 0.000 1.129 135 S CA -0.869 57.270 58.200 -0.102 0.000 0.931 135 S CB 1.809 64.922 63.200 -0.145 0.000 1.068 135 S HN 0.637 nan 8.310 nan 0.000 0.480 136 Q N 2.024 121.415 119.800 -0.682 0.000 2.443 136 Q HA 0.435 4.775 4.340 0.000 0.000 0.232 136 Q C -0.190 175.675 176.000 -0.226 0.000 1.026 136 Q CA -0.443 55.091 55.803 -0.448 0.000 0.924 136 Q CB -0.322 28.060 28.738 -0.593 0.000 1.256 136 Q HN 0.508 nan 8.270 nan 0.000 0.519 137 T N 1.274 115.751 114.554 -0.129 0.000 2.867 137 T HA 0.324 4.674 4.350 0.000 0.000 0.297 137 T C 1.139 175.783 174.700 -0.094 0.000 0.989 137 T CA 0.887 62.934 62.100 -0.089 0.000 1.159 137 T CB -0.061 68.777 68.868 -0.049 0.000 0.928 137 T HN 0.972 nan 8.240 nan 0.000 0.538 138 G N 2.567 111.314 108.800 -0.088 0.000 2.168 138 G HA2 -0.184 3.776 3.960 0.000 0.000 0.263 138 G HA3 -0.184 3.776 3.960 0.000 0.000 0.263 138 G C 0.565 175.413 174.900 -0.087 0.000 0.977 138 G CA 0.075 45.131 45.100 -0.073 0.000 0.659 138 G HN 1.120 nan 8.290 nan 0.000 0.533 139 G N -1.604 107.117 108.800 -0.130 0.000 2.509 139 G HA2 0.431 4.391 3.960 0.000 0.000 0.269 139 G HA3 0.431 4.391 3.960 0.000 0.000 0.269 139 G C 0.604 175.447 174.900 -0.095 0.000 1.416 139 G CA 0.521 45.546 45.100 -0.125 0.000 1.052 139 G HN 0.440 nan 8.290 nan 0.000 0.542 140 H N -0.958 117.996 119.070 -0.192 0.000 2.548 140 H HA 0.121 4.678 4.556 0.000 0.000 0.268 140 H C 2.183 177.287 175.328 -0.373 0.000 0.975 140 H CA 1.142 57.062 56.048 -0.213 0.000 1.195 140 H CB 0.010 29.683 29.762 -0.148 0.000 1.397 140 H HN 0.396 nan 8.280 nan 0.000 0.572 141 G N -1.151 107.387 108.800 -0.436 0.000 3.159 141 G HA2 -0.017 3.943 3.960 0.000 0.000 0.232 141 G HA3 -0.017 3.943 3.960 0.000 0.000 0.232 141 G C -0.228 174.197 174.900 -0.792 0.000 1.116 141 G CA -0.190 44.525 45.100 -0.641 0.000 0.767 141 G HN 0.220 nan 8.290 nan 0.000 0.547 142 D N 0.217 120.252 120.400 -0.609 0.000 2.317 142 D HA 0.320 4.960 4.640 0.000 0.000 0.234 142 D C -0.073 175.948 176.300 -0.464 0.000 1.112 142 D CA -0.725 53.022 54.000 -0.421 0.000 0.840 142 D CB 0.898 41.574 40.800 -0.207 0.000 1.078 142 D HN 0.043 nan 8.370 nan 0.000 0.486 143 F N 1.692 121.621 119.950 -0.035 0.000 2.695 143 F HA 0.257 4.784 4.527 0.000 0.000 0.303 143 F C 1.515 177.308 175.800 -0.012 0.000 1.091 143 F CA -0.413 57.571 58.000 -0.027 0.000 1.300 143 F CB 0.021 38.999 39.000 -0.036 0.000 1.071 143 F HN 0.010 nan 8.300 nan 0.000 0.578 144 R N 2.383 122.944 120.500 0.102 0.000 2.623 144 R HA 0.095 4.435 4.340 0.000 0.000 0.271 144 R C -1.897 174.436 176.300 0.055 0.000 1.043 144 R CA -1.233 54.908 56.100 0.068 0.000 1.083 144 R CB 0.024 30.343 30.300 0.032 0.000 0.974 144 R HN -0.012 nan 8.270 nan 0.000 0.436 145 P HA 0.054 nan 4.420 nan 0.000 0.293 145 P C -0.512 176.803 177.300 0.026 0.000 1.298 145 P CA -0.216 62.908 63.100 0.039 0.000 0.757 145 P CB 0.520 32.241 31.700 0.035 0.000 1.262 146 R N -0.868 119.646 120.500 0.022 0.000 2.555 146 R HA 0.215 4.555 4.340 0.000 0.000 0.272 146 R C 1.560 177.868 176.300 0.014 0.000 1.089 146 R CA 0.116 56.226 56.100 0.016 0.000 1.126 146 R CB -0.936 29.373 30.300 0.015 0.000 1.250 146 R HN 0.613 nan 8.270 nan 0.000 0.551 147 G N -0.697 108.112 108.800 0.015 0.000 2.583 147 G HA2 -0.021 3.940 3.960 0.000 0.000 0.215 147 G HA3 -0.021 3.940 3.960 0.000 0.000 0.215 147 G C -0.063 174.844 174.900 0.011 0.000 1.481 147 G CA 0.370 45.478 45.100 0.013 0.000 0.948 147 G HN 0.279 nan 8.290 nan 0.000 0.511 148 D N -1.535 118.872 120.400 0.012 0.000 2.643 148 D HA 0.421 5.061 4.640 0.000 0.000 0.283 148 D C -1.270 175.036 176.300 0.011 0.000 1.242 148 D CA -0.431 53.575 54.000 0.010 0.000 0.863 148 D CB 2.160 42.965 40.800 0.009 0.000 1.382 148 D HN -0.003 nan 8.370 nan 0.000 0.444 149 L N 1.810 123.037 121.223 0.008 0.000 2.337 149 L HA 0.430 4.770 4.340 0.000 0.000 0.269 149 L C -0.513 176.362 176.870 0.009 0.000 1.018 149 L CA -0.310 54.534 54.840 0.007 0.000 0.876 149 L CB 0.987 43.047 42.059 0.002 0.000 1.236 149 L HN 0.068 nan 8.230 nan 0.000 0.436 150 L N 2.628 123.859 121.223 0.012 0.000 2.317 150 L HA 0.396 4.736 4.340 0.000 0.000 0.281 150 L C 0.272 177.151 176.870 0.015 0.000 1.024 150 L CA -0.745 54.104 54.840 0.014 0.000 0.810 150 L CB 1.980 44.049 42.059 0.017 0.000 1.240 150 L HN 0.534 nan 8.230 nan 0.000 0.427 151 E N 4.287 124.495 120.200 0.014 0.000 2.415 151 E HA 0.076 4.426 4.350 0.000 0.000 0.260 151 E C -2.055 174.555 176.600 0.017 0.000 1.016 151 E CA -1.134 55.272 56.400 0.011 0.000 0.924 151 E CB 0.243 29.948 29.700 0.009 0.000 0.961 151 E HN 0.281 nan 8.360 nan 0.000 0.459 152 P HA 0.100 nan 4.420 nan 0.000 0.238 152 P C 0.314 177.609 177.300 -0.008 0.000 1.758 152 P CA -0.421 62.690 63.100 0.019 0.000 1.142 152 P CB -0.078 31.637 31.700 0.024 0.000 1.722 153 C N 0.535 119.833 119.300 -0.004 0.000 2.491 153 C HA -0.018 4.442 4.460 0.000 0.000 0.277 153 C C 1.920 176.806 174.990 -0.173 0.000 1.455 153 C CA 0.544 59.519 59.018 -0.072 0.000 1.758 153 C CB -1.896 25.841 27.740 -0.004 0.000 1.745 153 C HN 0.470 nan 8.230 nan 0.000 0.558 154 S N -0.990 114.718 115.700 0.014 0.000 2.603 154 S HA -0.015 4.455 4.470 0.000 0.000 0.220 154 S C 1.371 175.976 174.600 0.008 0.000 0.967 154 S CA 0.850 59.130 58.200 0.132 0.000 0.920 154 S CB -1.214 62.117 63.200 0.218 0.000 0.773 154 S HN 0.758 nan 8.310 nan 0.000 0.529 155 C N 1.166 120.424 119.300 -0.070 0.000 2.432 155 C HA -0.001 4.459 4.460 0.000 0.000 0.282 155 C C 2.461 177.406 174.990 -0.076 0.000 1.388 155 C CA 0.364 59.356 59.018 -0.042 0.000 1.777 155 C CB -1.645 26.074 27.740 -0.035 0.000 1.882 155 C HN 0.826 nan 8.230 nan 0.000 0.520 156 C N -1.734 117.435 119.300 -0.218 0.000 2.791 156 C HA 0.289 4.750 4.460 0.000 0.000 0.270 156 C C 1.936 176.853 174.990 -0.122 0.000 1.257 156 C CA -0.282 58.611 59.018 -0.207 0.000 1.699 156 C CB -1.991 25.565 27.740 -0.307 0.000 1.904 156 C HN 0.571 nan 8.230 nan 0.000 0.603 157 F N 0.600 120.563 119.950 0.021 0.000 2.437 157 F HA 0.171 4.698 4.527 0.000 0.000 0.288 157 F C 1.413 177.224 175.800 0.018 0.000 1.085 157 F CA -0.270 57.741 58.000 0.018 0.000 1.430 157 F CB 0.046 39.055 39.000 0.015 0.000 1.120 157 F HN -0.067 nan 8.300 nan 0.000 0.556 158 R N 1.556 122.169 120.500 0.189 0.000 2.370 158 R HA 0.053 4.393 4.340 0.000 0.000 0.309 158 R C 1.139 177.487 176.300 0.080 0.000 1.059 158 R CA 0.318 56.483 56.100 0.109 0.000 0.981 158 R CB -0.020 30.326 30.300 0.076 0.000 0.972 158 R HN 0.223 nan 8.270 nan 0.000 0.437 159 T N -1.341 113.252 114.554 0.065 0.000 3.067 159 T HA -0.026 4.324 4.350 0.000 0.000 0.261 159 T C 1.665 176.382 174.700 0.029 0.000 1.110 159 T CA 0.834 62.964 62.100 0.050 0.000 1.113 159 T CB 0.183 69.077 68.868 0.044 0.000 0.917 159 T HN 0.580 nan 8.240 nan 0.000 0.499 160 G N 0.974 109.783 108.800 0.016 0.000 2.920 160 G HA2 0.451 4.411 3.960 0.000 0.000 0.208 160 G HA3 0.451 4.411 3.960 0.000 0.000 0.208 160 G C 0.579 175.468 174.900 -0.019 0.000 1.159 160 G CA 0.025 45.119 45.100 -0.010 0.000 0.784 160 G HN 0.818 nan 8.290 nan 0.000 0.535 161 A N 0.653 123.481 122.820 0.013 0.000 2.409 161 A HA 0.540 4.860 4.320 0.000 0.000 0.262 161 A C 1.297 178.906 177.584 0.043 0.000 1.113 161 A CA -0.467 51.592 52.037 0.038 0.000 0.790 161 A CB 0.478 19.515 19.000 0.062 0.000 1.046 161 A HN 0.063 nan 8.150 nan 0.000 0.496 162 I N 1.165 121.774 120.570 0.064 0.000 2.277 162 I HA 0.009 4.179 4.170 0.000 0.000 0.243 162 I C 1.465 177.623 176.117 0.068 0.000 1.094 162 I CA 1.802 63.121 61.300 0.033 0.000 1.393 162 I CB -1.373 36.616 38.000 -0.019 0.000 1.078 162 I HN 0.668 nan 8.210 nan 0.000 0.417 163 A N 1.326 124.201 122.820 0.093 0.000 2.435 163 A HA 0.758 5.078 4.320 0.000 0.000 0.296 163 A C -0.136 177.462 177.584 0.022 0.000 1.147 163 A CA -0.639 51.418 52.037 0.034 0.000 0.775 163 A CB 1.547 20.524 19.000 -0.038 0.000 1.340 163 A HN 0.300 nan 8.150 nan 0.000 0.427 164 R N -0.288 120.213 120.500 0.002 0.000 2.740 164 R HA 0.711 5.051 4.340 0.000 0.000 0.282 164 R C -1.765 174.525 176.300 -0.017 0.000 0.969 164 R CA -0.718 55.374 56.100 -0.014 0.000 0.918 164 R CB 1.531 31.815 30.300 -0.026 0.000 1.175 164 R HN 0.256 nan 8.270 nan 0.000 0.464 165 V N 3.197 123.093 119.914 -0.029 0.000 2.353 165 V HA 0.248 4.368 4.120 0.000 0.000 0.264 165 V C -0.033 176.063 176.094 0.004 0.000 1.049 165 V CA -0.456 61.827 62.300 -0.028 0.000 0.896 165 V CB 0.839 32.633 31.823 -0.049 0.000 1.025 165 V HN 0.599 nan 8.190 nan 0.000 0.475 166 V N 1.957 121.906 119.914 0.058 0.000 2.604 166 V HA 0.783 4.903 4.120 0.000 0.000 0.305 166 V C -0.886 175.310 176.094 0.170 0.000 1.043 166 V CA -0.855 61.499 62.300 0.091 0.000 0.888 166 V CB 2.076 33.950 31.823 0.087 0.000 0.995 166 V HN 0.731 nan 8.190 nan 0.000 0.429 167 D N 1.336 121.808 120.400 0.120 0.000 2.601 167 D HA 0.803 5.443 4.640 0.000 0.000 0.230 167 D C 0.139 176.499 176.300 0.099 0.000 1.106 167 D CA 0.543 54.632 54.000 0.148 0.000 0.873 167 D CB 1.832 42.676 40.800 0.073 0.000 1.515 167 D HN 1.391 nan 8.370 nan 0.000 0.468 168 G N -0.812 108.049 108.800 0.101 0.000 2.721 168 G HA2 -0.156 3.804 3.960 0.000 0.000 0.686 168 G HA3 -0.156 3.804 3.960 0.000 0.000 0.686 168 G C 0.631 175.539 174.900 0.012 0.000 1.236 168 G CA -0.470 44.658 45.100 0.047 0.000 0.786 168 G HN 0.425 nan 8.290 nan 0.000 0.616 169 V N 1.459 121.371 119.914 -0.003 0.000 2.343 169 V HA -0.150 3.970 4.120 0.000 0.000 0.247 169 V C 2.619 178.695 176.094 -0.030 0.000 1.051 169 V CA 2.721 65.004 62.300 -0.028 0.000 1.036 169 V CB -0.397 31.414 31.823 -0.020 0.000 0.654 169 V HN 0.787 nan 8.190 nan 0.000 0.451 170 E N 0.516 120.707 120.200 -0.016 0.000 2.158 170 E HA -0.073 4.277 4.350 0.000 0.000 0.191 170 E C 2.357 178.947 176.600 -0.017 0.000 0.982 170 E CA 1.224 57.614 56.400 -0.016 0.000 0.823 170 E CB -0.508 29.187 29.700 -0.010 0.000 0.766 170 E HN 0.618 nan 8.360 nan 0.000 0.468 171 G N 1.803 110.598 108.800 -0.009 0.000 2.418 171 G HA2 -0.212 3.748 3.960 0.000 0.000 0.217 171 G HA3 -0.212 3.748 3.960 0.000 0.000 0.217 171 G C 1.828 176.718 174.900 -0.016 0.000 1.158 171 G CA 1.425 46.522 45.100 -0.004 0.000 0.771 171 G HN 0.301 nan 8.290 nan 0.000 0.545 172 V N -1.408 118.484 119.914 -0.036 0.000 2.719 172 V HA 0.172 4.292 4.120 0.000 0.000 0.252 172 V C 2.418 178.467 176.094 -0.075 0.000 1.065 172 V CA 1.746 63.999 62.300 -0.079 0.000 1.086 172 V CB -0.429 31.277 31.823 -0.195 0.000 0.700 172 V HN 0.316 nan 8.190 nan 0.000 0.467 173 R N -0.255 120.209 120.500 -0.060 0.000 2.092 173 R HA -0.036 4.304 4.340 0.000 0.000 0.231 173 R C 2.231 178.507 176.300 -0.040 0.000 1.119 173 R CA 1.784 57.853 56.100 -0.050 0.000 0.970 173 R CB -0.280 29.996 30.300 -0.040 0.000 0.864 173 R HN 0.553 nan 8.270 nan 0.000 0.440 174 L N 0.611 121.814 121.223 -0.034 0.000 2.072 174 L HA 0.010 4.350 4.340 0.000 0.000 0.205 174 L C 2.274 179.124 176.870 -0.033 0.000 1.079 174 L CA 2.000 56.822 54.840 -0.029 0.000 0.752 174 L CB -0.576 41.468 42.059 -0.024 0.000 0.906 174 L HN 0.195 nan 8.230 nan 0.000 0.436 175 A N -0.909 121.891 122.820 -0.033 0.000 1.892 175 A HA -0.203 4.117 4.320 0.000 0.000 0.218 175 A C 2.263 179.826 177.584 -0.035 0.000 1.188 175 A CA 2.317 54.335 52.037 -0.032 0.000 0.631 175 A CB -1.247 17.739 19.000 -0.023 0.000 0.822 175 A HN 0.313 nan 8.150 nan 0.000 0.447 176 V N -0.183 119.706 119.914 -0.042 0.000 2.343 176 V HA -0.270 3.850 4.120 0.000 0.000 0.247 176 V C 2.614 178.683 176.094 -0.041 0.000 1.051 176 V CA 2.269 64.541 62.300 -0.045 0.000 1.036 176 V CB -0.822 30.969 31.823 -0.054 0.000 0.654 176 V HN 0.526 nan 8.190 nan 0.000 0.451 177 R N -0.352 120.125 120.500 -0.039 0.000 2.120 177 R HA -0.165 4.175 4.340 0.000 0.000 0.234 177 R C 2.283 178.559 176.300 -0.039 0.000 1.123 177 R CA 1.546 57.624 56.100 -0.037 0.000 0.975 177 R CB -0.179 30.102 30.300 -0.033 0.000 0.866 177 R HN 0.648 nan 8.270 nan 0.000 0.446 178 E N 0.178 120.355 120.200 -0.038 0.000 2.028 178 E HA -0.131 4.219 4.350 0.000 0.000 0.190 178 E C 1.893 178.469 176.600 -0.039 0.000 0.984 178 E CA 0.692 57.069 56.400 -0.038 0.000 0.800 178 E CB 0.102 29.780 29.700 -0.036 0.000 0.758 178 E HN 0.194 nan 8.360 nan 0.000 0.448 179 E N 0.581 120.761 120.200 -0.033 0.000 2.153 179 E HA -0.172 4.178 4.350 0.000 0.000 0.194 179 E C 2.089 178.671 176.600 -0.029 0.000 0.988 179 E CA 0.752 57.137 56.400 -0.024 0.000 0.811 179 E CB -0.092 29.596 29.700 -0.020 0.000 0.746 179 E HN 0.313 nan 8.360 nan 0.000 0.466 180 I N 1.107 121.653 120.570 -0.039 0.000 2.286 180 I HA -0.294 3.876 4.170 0.000 0.000 0.245 180 I C 2.617 178.696 176.117 -0.063 0.000 1.104 180 I CA 1.221 62.495 61.300 -0.043 0.000 1.397 180 I CB 0.004 37.978 38.000 -0.042 0.000 1.072 180 I HN 0.056 nan 8.210 nan 0.000 0.417 181 Q N 0.817 120.573 119.800 -0.074 0.000 2.245 181 Q HA -0.152 4.188 4.340 0.000 0.000 0.201 181 Q C 1.864 177.771 176.000 -0.155 0.000 0.955 181 Q CA 1.455 57.192 55.803 -0.110 0.000 0.870 181 Q CB -0.350 28.335 28.738 -0.089 0.000 0.945 181 Q HN 0.260 nan 8.270 nan 0.000 0.461 182 K N -0.248 120.089 120.400 -0.105 0.000 2.147 182 K HA 0.029 4.349 4.320 0.000 0.000 0.205 182 K C 0.593 177.130 176.600 -0.105 0.000 1.049 182 K CA 0.985 57.217 56.287 -0.092 0.000 0.936 182 K CB -0.059 32.431 32.500 -0.017 0.000 0.722 182 K HN 0.503 nan 8.250 nan 0.000 0.446 183 G N -0.117 108.642 108.800 -0.068 0.000 2.165 183 G HA2 -0.073 3.887 3.960 0.000 0.000 0.144 183 G HA3 -0.073 3.887 3.960 0.000 0.000 0.144 183 G C -0.149 174.823 174.900 0.120 0.000 1.049 183 G CA -0.261 44.832 45.100 -0.012 0.000 0.741 183 G HN 0.383 nan 8.290 nan 0.000 0.493 184 A N 0.203 123.058 122.820 0.059 0.000 2.445 184 A HA 0.683 5.003 4.320 0.000 0.000 0.242 184 A C 1.663 179.274 177.584 0.045 0.000 1.075 184 A CA 1.288 53.357 52.037 0.054 0.000 0.777 184 A CB 0.364 19.367 19.000 0.006 0.000 1.013 184 A HN 1.326 nan 8.150 nan 0.000 0.493 185 T N -1.135 113.454 114.554 0.057 0.000 3.044 185 T HA 0.163 4.513 4.350 0.000 0.000 0.255 185 T C 0.586 175.207 174.700 -0.131 0.000 1.073 185 T CA 0.889 63.015 62.100 0.044 0.000 1.125 185 T CB -0.087 68.898 68.868 0.194 0.000 0.908 185 T HN 0.898 nan 8.240 nan 0.000 0.480 186 Q N 0.148 119.824 119.800 -0.207 0.000 2.511 186 Q HA 0.530 4.870 4.340 0.000 0.000 0.289 186 Q C -1.479 174.367 176.000 -0.256 0.000 1.021 186 Q CA -1.070 54.466 55.803 -0.445 0.000 0.785 186 Q CB 1.347 29.561 28.738 -0.874 0.000 1.472 186 Q HN 0.162 nan 8.270 nan 0.000 0.411 190 M N 2.925 122.694 119.600 0.282 0.000 2.103 190 M HA 0.474 4.954 4.480 0.000 0.000 0.350 190 M C 0.683 177.146 176.300 0.271 0.000 1.100 190 M CA -0.349 55.118 55.300 0.280 0.000 1.042 190 M CB 0.456 33.153 32.600 0.162 0.000 1.368 190 M HN 0.930 nan 8.290 nan 0.000 0.404 191 A N 2.514 125.490 122.820 0.260 0.000 2.072 191 A HA 0.184 4.504 4.320 0.000 0.000 0.216 191 A C 1.091 178.731 177.584 0.093 0.000 1.156 191 A CA 1.017 53.157 52.037 0.171 0.000 0.701 191 A CB 0.194 19.260 19.000 0.110 0.000 0.816 191 A HN 0.724 nan 8.150 nan 0.000 0.458 192 S N -2.302 113.448 115.700 0.083 0.000 2.685 192 S HA 0.648 5.118 4.470 0.000 0.000 0.282 192 S C 0.225 174.875 174.600 0.084 0.000 1.159 192 S CA -0.180 58.031 58.200 0.018 0.000 0.833 192 S CB 0.784 63.926 63.200 -0.096 0.000 1.151 192 S HN 0.850 nan 8.310 nan 0.000 0.485 193 G N -0.805 108.019 108.800 0.039 0.000 2.527 193 G HA2 0.541 4.501 3.960 0.000 0.000 0.248 193 G HA3 0.541 4.501 3.960 0.000 0.000 0.248 193 G C 0.304 175.210 174.900 0.010 0.000 1.231 193 G CA -0.090 45.013 45.100 0.004 0.000 0.838 193 G HN 1.110 nan 8.290 nan 0.000 0.570 194 G N -1.359 107.263 108.800 -0.297 0.000 3.247 194 G HA2 0.438 4.398 3.960 0.000 0.000 0.199 194 G HA3 0.438 4.398 3.960 0.000 0.000 0.199 194 G C 0.292 175.209 174.900 0.029 0.000 1.172 194 G CA 0.356 45.315 45.100 -0.235 0.000 0.844 194 G HN 0.685 nan 8.290 nan 0.000 0.619 195 V N 0.161 120.194 119.914 0.199 0.000 3.307 195 V HA 0.256 4.376 4.120 0.000 0.000 0.244 195 V C 2.621 178.860 176.094 0.241 0.000 1.196 195 V CA 1.435 63.850 62.300 0.192 0.000 1.132 195 V CB 0.228 32.171 31.823 0.200 0.000 0.875 195 V HN 0.747 nan 8.190 nan 0.000 0.468 196 A N 0.987 124.039 122.820 0.387 0.000 1.843 196 A HA 0.026 4.346 4.320 0.000 0.000 0.213 196 A C 1.644 179.393 177.584 0.275 0.000 1.202 196 A CA 1.121 53.330 52.037 0.287 0.000 0.607 196 A CB -0.601 18.541 19.000 0.235 0.000 0.847 196 A HN 0.607 nan 8.150 nan 0.000 0.445 197 S N 0.444 116.321 115.700 0.295 0.000 2.549 197 S HA 0.257 4.727 4.470 0.000 0.000 0.283 197 S C -1.341 173.357 174.600 0.163 0.000 1.320 197 S CA -0.507 57.812 58.200 0.200 0.000 1.058 197 S CB 0.738 63.945 63.200 0.012 0.000 0.882 197 S HN 0.328 nan 8.310 nan 0.000 0.498 198 P HA -0.099 nan 4.420 nan 0.000 0.219 198 P C 1.575 178.912 177.300 0.062 0.000 1.150 198 P CA 1.551 64.709 63.100 0.096 0.000 0.814 198 P CB -0.428 31.328 31.700 0.093 0.000 0.787 199 T N -1.937 112.644 114.554 0.044 0.000 2.809 199 T HA -0.052 4.298 4.350 0.000 0.000 0.260 199 T C 0.840 175.553 174.700 0.022 0.000 1.039 199 T CA 0.380 62.494 62.100 0.023 0.000 1.141 199 T CB -1.066 67.804 68.868 0.003 0.000 0.869 199 T HN 0.193 nan 8.240 nan 0.000 0.437 200 D N 3.170 123.587 120.400 0.028 0.000 2.256 200 D HA 0.348 4.988 4.640 0.000 0.000 0.250 200 D C -2.899 173.413 176.300 0.021 0.000 1.093 200 D CA -1.937 52.074 54.000 0.020 0.000 0.882 200 D CB 1.263 42.074 40.800 0.018 0.000 1.185 200 D HN 0.165 nan 8.370 nan 0.000 0.437 201 P HA 0.144 nan 4.420 nan 0.000 0.274 201 P C 0.942 178.242 177.300 0.000 0.000 1.246 201 P CA -0.626 62.474 63.100 0.001 0.000 0.795 201 P CB 1.211 32.908 31.700 -0.005 0.000 1.006 202 I N 0.603 121.165 120.570 -0.013 0.000 2.439 202 I HA -0.197 3.973 4.170 0.000 0.000 0.251 202 I C 1.664 177.787 176.117 0.011 0.000 1.139 202 I CA 1.424 62.722 61.300 -0.003 0.000 1.438 202 I CB -0.269 37.674 38.000 -0.095 0.000 1.085 202 I HN 0.308 nan 8.210 nan 0.000 0.427 203 A N 1.613 124.427 122.820 -0.010 0.000 1.930 203 A HA -0.159 4.161 4.320 0.000 0.000 0.217 203 A C 1.047 178.633 177.584 0.004 0.000 1.175 203 A CA 1.207 53.239 52.037 -0.008 0.000 0.627 203 A CB -0.898 18.093 19.000 -0.016 0.000 0.815 203 A HN 0.743 nan 8.150 nan 0.000 0.443 204 N N 0.201 118.904 118.700 0.005 0.000 2.508 204 N HA 0.305 5.045 4.740 0.000 0.000 0.285 204 N C 0.008 175.524 175.510 0.010 0.000 1.144 204 N CA 0.239 53.293 53.050 0.006 0.000 0.978 204 N CB 0.734 39.222 38.487 0.002 0.000 1.180 204 N HN 0.246 nan 8.380 nan 0.000 0.484 205 T N -1.185 113.376 114.554 0.012 0.000 2.788 205 T HA 0.212 4.562 4.350 0.000 0.000 0.280 205 T C -0.129 174.580 174.700 0.015 0.000 0.984 205 T CA -0.362 61.749 62.100 0.019 0.000 0.972 205 T CB 1.087 69.972 68.868 0.027 0.000 1.039 205 T HN 0.642 nan 8.240 nan 0.000 0.530 206 Q N -0.330 119.486 119.800 0.027 0.000 2.421 206 Q HA 0.502 4.842 4.340 0.000 0.000 0.280 206 Q C -1.633 174.415 176.000 0.081 0.000 1.085 206 Q CA -0.978 54.817 55.803 -0.014 0.000 0.807 206 Q CB 2.379 31.071 28.738 -0.077 0.000 1.405 206 Q HN 0.834 nan 8.270 nan 0.000 0.419 207 Y N -0.403 119.909 120.300 0.021 0.000 2.535 207 Y HA -0.289 4.261 4.550 0.000 0.000 0.023 207 Y C 0.193 176.099 175.900 0.011 0.000 1.731 207 Y CA 0.076 58.185 58.100 0.015 0.000 1.399 207 Y CB -0.273 38.198 38.460 0.019 0.000 2.046 207 Y HN 0.753 nan 8.280 nan 0.000 0.258 208 S N 1.727 117.554 115.700 0.213 0.000 2.593 208 S HA 0.186 4.656 4.470 0.000 0.000 0.269 208 S C 0.727 175.364 174.600 0.063 0.000 1.334 208 S CA -0.067 58.194 58.200 0.102 0.000 1.015 208 S CB 1.623 64.867 63.200 0.074 0.000 0.912 208 S HN 0.685 nan 8.310 nan 0.000 0.541 209 E N 0.452 120.673 120.200 0.036 0.000 2.204 209 E HA -0.109 4.241 4.350 0.000 0.000 0.194 209 E C 0.914 177.509 176.600 -0.007 0.000 0.989 209 E CA 1.043 57.451 56.400 0.013 0.000 0.824 209 E CB -0.077 29.629 29.700 0.011 0.000 0.756 209 E HN 0.655 nan 8.360 nan 0.000 0.477 210 D N 0.696 121.094 120.400 -0.004 0.000 2.144 210 D HA -0.123 4.517 4.640 0.000 0.000 0.200 210 D C 1.596 177.872 176.300 -0.041 0.000 0.978 210 D CA 0.918 54.909 54.000 -0.016 0.000 0.833 210 D CB 0.004 40.801 40.800 -0.005 0.000 0.961 210 D HN 0.203 nan 8.370 nan 0.000 0.470 211 E N 0.009 120.179 120.200 -0.052 0.000 2.028 211 E HA -0.096 4.254 4.350 0.000 0.000 0.191 211 E C 2.272 178.756 176.600 -0.193 0.000 0.988 211 E CA 0.587 56.906 56.400 -0.135 0.000 0.799 211 E CB -0.043 29.555 29.700 -0.170 0.000 0.755 211 E HN 0.265 nan 8.360 nan 0.000 0.447 212 I N 0.704 121.180 120.570 -0.156 0.000 2.286 212 I HA -0.279 3.891 4.170 0.000 0.000 0.248 212 I C 2.502 178.566 176.117 -0.089 0.000 1.115 212 I CA 1.093 62.314 61.300 -0.132 0.000 1.392 212 I CB -0.224 37.745 38.000 -0.052 0.000 1.065 212 I HN 0.016 nan 8.210 nan 0.000 0.418 213 R N 0.653 121.114 120.500 -0.065 0.000 2.081 213 R HA -0.118 4.223 4.340 0.000 0.000 0.235 213 R C 2.478 178.745 176.300 -0.054 0.000 1.131 213 R CA 1.471 57.541 56.100 -0.049 0.000 0.960 213 R CB -0.419 29.860 30.300 -0.036 0.000 0.856 213 R HN 0.382 nan 8.270 nan 0.000 0.436 214 A N 0.862 123.642 122.820 -0.067 0.000 1.972 214 A HA -0.134 4.186 4.320 0.000 0.000 0.219 214 A C 2.074 179.613 177.584 -0.074 0.000 1.169 214 A CA 1.171 53.169 52.037 -0.065 0.000 0.635 214 A CB -0.401 18.558 19.000 -0.069 0.000 0.810 214 A HN 0.193 nan 8.150 nan 0.000 0.446 215 I N -0.823 119.686 120.570 -0.102 0.000 2.202 215 I HA -0.193 3.977 4.170 0.000 0.000 0.242 215 I C 2.364 178.444 176.117 -0.062 0.000 1.091 215 I CA 1.021 62.261 61.300 -0.099 0.000 1.368 215 I CB -0.340 37.574 38.000 -0.144 0.000 1.058 215 I HN 0.142 nan 8.210 nan 0.000 0.410 216 V N 0.870 120.754 119.914 -0.051 0.000 2.287 216 V HA -0.313 3.807 4.120 0.000 0.000 0.248 216 V C 2.028 178.111 176.094 -0.018 0.000 1.053 216 V CA 2.084 64.369 62.300 -0.024 0.000 1.027 216 V CB -0.648 31.162 31.823 -0.022 0.000 0.646 216 V HN 0.412 nan 8.190 nan 0.000 0.447 217 D N -0.562 119.823 120.400 -0.026 0.000 2.178 217 D HA -0.120 4.520 4.640 0.000 0.000 0.201 217 D C 2.231 178.519 176.300 -0.019 0.000 0.980 217 D CA 0.890 54.878 54.000 -0.019 0.000 0.842 217 D CB -0.087 40.700 40.800 -0.022 0.000 0.948 217 D HN 0.426 nan 8.370 nan 0.000 0.472 218 E N 0.097 120.280 120.200 -0.028 0.000 2.250 218 E HA 0.098 4.448 4.350 0.000 0.000 0.192 218 E C 1.974 178.557 176.600 -0.029 0.000 0.986 218 E CA 0.253 56.636 56.400 -0.029 0.000 0.849 218 E CB 0.085 29.762 29.700 -0.038 0.000 0.797 218 E HN 0.167 nan 8.360 nan 0.000 0.482 219 A N 1.461 124.263 122.820 -0.030 0.000 1.898 219 A HA -0.161 4.159 4.320 0.000 0.000 0.216 219 A C 2.019 179.599 177.584 -0.006 0.000 1.181 219 A CA 1.201 53.220 52.037 -0.031 0.000 0.620 219 A CB -0.356 18.623 19.000 -0.035 0.000 0.819 219 A HN 0.140 nan 8.150 nan 0.000 0.442 220 E N -0.299 119.906 120.200 0.008 0.000 2.153 220 E HA -0.112 4.238 4.350 0.000 0.000 0.194 220 E C 2.077 178.683 176.600 0.010 0.000 0.988 220 E CA 0.823 57.235 56.400 0.020 0.000 0.811 220 E CB -0.231 29.480 29.700 0.019 0.000 0.746 220 E HN 0.608 nan 8.360 nan 0.000 0.466 221 A N 0.682 123.502 122.820 -0.001 0.000 2.172 221 A HA 0.069 4.389 4.320 0.000 0.000 0.216 221 A C 1.882 179.463 177.584 -0.005 0.000 1.154 221 A CA 1.171 53.206 52.037 -0.004 0.000 0.701 221 A CB -0.017 18.977 19.000 -0.010 0.000 0.789 221 A HN 0.209 nan 8.150 nan 0.000 0.465 222 A N -0.684 122.133 122.820 -0.006 0.000 2.535 222 A HA 0.390 4.710 4.320 0.000 0.000 0.273 222 A C 0.409 177.996 177.584 0.005 0.000 1.267 222 A CA -0.114 51.919 52.037 -0.006 0.000 0.940 222 A CB -0.234 18.755 19.000 -0.018 0.000 1.101 222 A HN 0.353 nan 8.150 nan 0.000 0.521 223 N N 0.363 119.072 118.700 0.015 0.000 2.725 223 N HA -0.139 4.601 4.740 0.000 0.000 0.251 223 N C 0.057 175.594 175.510 0.046 0.000 1.031 223 N CA 1.716 54.785 53.050 0.031 0.000 0.720 223 N CB -1.555 36.950 38.487 0.029 0.000 0.930 223 N HN 0.754 nan 8.380 nan 0.000 0.543 224 T N -2.071 112.509 114.554 0.045 0.000 2.598 224 T HA 0.728 5.078 4.350 0.000 0.000 0.289 224 T C -1.351 173.415 174.700 0.109 0.000 1.056 224 T CA -0.333 61.803 62.100 0.059 0.000 1.088 224 T CB 1.264 70.092 68.868 -0.066 0.000 1.519 224 T HN 0.224 nan 8.240 nan 0.000 0.488 225 Y N -1.317 118.970 120.300 -0.021 0.000 2.818 225 Y HA 0.849 5.399 4.550 0.000 0.000 0.322 225 Y C -1.533 174.358 175.900 -0.015 0.000 1.323 225 Y CA -1.312 56.777 58.100 -0.017 0.000 1.090 225 Y CB 0.666 39.114 38.460 -0.019 0.000 1.328 225 Y HN 0.415 nan 8.280 nan 0.000 0.482 226 V N 3.245 123.275 119.914 0.194 0.000 2.581 226 V HA 0.506 4.626 4.120 0.000 0.000 0.303 226 V C -0.110 176.125 176.094 0.235 0.000 1.041 226 V CA -0.949 61.405 62.300 0.091 0.000 0.907 226 V CB 1.502 33.359 31.823 0.057 0.000 0.994 226 V HN 0.836 nan 8.190 nan 0.000 0.442 227 M N 2.836 122.518 119.600 0.137 0.000 2.436 227 M HA 0.969 5.449 4.480 0.000 0.000 0.331 227 M C -0.622 175.755 176.300 0.130 0.000 1.135 227 M CA -0.611 54.787 55.300 0.163 0.000 0.987 227 M CB 2.080 34.773 32.600 0.156 0.000 1.687 227 M HN 0.603 nan 8.290 nan 0.000 0.445 228 A N 1.299 124.202 122.820 0.137 0.000 2.393 228 A HA 0.594 4.914 4.320 0.000 0.000 0.306 228 A C -1.454 176.238 177.584 0.181 0.000 1.050 228 A CA -0.675 51.454 52.037 0.152 0.000 0.724 228 A CB 0.867 19.934 19.000 0.112 0.000 1.248 228 A HN 1.007 nan 8.150 nan 0.000 0.424 229 H N 1.471 120.626 119.070 0.142 0.000 2.690 229 H HA 0.671 5.227 4.556 0.000 0.000 0.314 229 H C -0.273 175.071 175.328 0.027 0.000 1.069 229 H CA 0.566 56.705 56.048 0.152 0.000 1.436 229 H CB 0.841 30.739 29.762 0.226 0.000 1.462 229 H HN 0.923 nan 8.280 nan 0.000 0.511 230 A N 4.829 127.318 122.820 -0.552 0.000 2.517 230 A HA 0.401 4.721 4.320 0.000 0.000 0.297 230 A C -1.441 175.872 177.584 -0.452 0.000 1.050 230 A CA -0.705 51.044 52.037 -0.480 0.000 0.694 230 A CB 0.556 19.471 19.000 -0.142 0.000 1.277 230 A HN 0.689 nan 8.150 nan 0.000 0.400 231 Y N 0.965 121.131 120.300 -0.222 0.000 2.488 231 Y HA 0.172 4.722 4.550 0.000 0.000 0.262 231 Y C 2.019 177.878 175.900 -0.069 0.000 1.108 231 Y CA 1.201 59.224 58.100 -0.129 0.000 1.299 231 Y CB -0.482 37.885 38.460 -0.155 0.000 1.231 231 Y HN 0.712 nan 8.280 nan 0.000 0.507 232 T N -0.574 114.051 114.554 0.117 0.000 2.940 232 T HA 0.214 4.564 4.350 0.000 0.000 0.309 232 T C 1.577 176.302 174.700 0.042 0.000 1.056 232 T CA 0.122 62.252 62.100 0.051 0.000 1.137 232 T CB 1.226 70.110 68.868 0.027 0.000 0.976 232 T HN 0.477 nan 8.240 nan 0.000 0.547 233 G N 1.271 110.092 108.800 0.035 0.000 2.432 233 G HA2 -0.231 3.729 3.960 0.000 0.000 0.219 233 G HA3 -0.231 3.729 3.960 0.000 0.000 0.219 233 G C 1.485 176.406 174.900 0.036 0.000 1.135 233 G CA 0.655 45.779 45.100 0.041 0.000 0.767 233 G HN 0.855 nan 8.290 nan 0.000 0.550 234 R N 0.648 121.163 120.500 0.025 0.000 2.094 234 R HA -0.070 4.270 4.340 0.000 0.000 0.239 234 R C 2.781 179.096 176.300 0.024 0.000 1.137 234 R CA 1.795 57.909 56.100 0.022 0.000 0.943 234 R CB -0.525 29.785 30.300 0.016 0.000 0.850 234 R HN 0.259 nan 8.270 nan 0.000 0.433 235 A N 0.784 123.616 122.820 0.021 0.000 1.969 235 A HA -0.084 4.236 4.320 0.000 0.000 0.218 235 A C 2.172 179.766 177.584 0.017 0.000 1.169 235 A CA 1.297 53.343 52.037 0.015 0.000 0.635 235 A CB -0.395 18.605 19.000 -0.000 0.000 0.810 235 A HN 0.412 nan 8.150 nan 0.000 0.445 236 I N -0.325 120.261 120.570 0.025 0.000 2.252 236 I HA -0.228 3.942 4.170 0.000 0.000 0.245 236 I C 2.951 179.092 176.117 0.041 0.000 1.102 236 I CA 0.933 62.255 61.300 0.036 0.000 1.385 236 I CB -0.365 37.674 38.000 0.064 0.000 1.064 236 I HN 0.328 nan 8.210 nan 0.000 0.414 237 A N 2.041 124.888 122.820 0.045 0.000 1.865 237 A HA -0.253 4.067 4.320 0.000 0.000 0.217 237 A C 2.361 179.964 177.584 0.031 0.000 1.191 237 A CA 2.259 54.325 52.037 0.050 0.000 0.623 237 A CB -0.712 18.318 19.000 0.050 0.000 0.826 237 A HN 0.497 nan 8.150 nan 0.000 0.444 238 R N -0.049 120.466 120.500 0.025 0.000 2.096 238 R HA 0.121 4.461 4.340 0.000 0.000 0.235 238 R C 2.178 178.480 176.300 0.003 0.000 1.127 238 R CA 1.522 57.631 56.100 0.015 0.000 0.968 238 R CB -0.889 29.424 30.300 0.023 0.000 0.861 238 R HN 0.329 nan 8.270 nan 0.000 0.440 239 A N 1.334 124.161 122.820 0.012 0.000 1.902 239 A HA -0.083 4.237 4.320 0.000 0.000 0.217 239 A C 2.428 180.001 177.584 -0.019 0.000 1.181 239 A CA 1.719 53.763 52.037 0.011 0.000 0.623 239 A CB -0.618 18.399 19.000 0.028 0.000 0.818 239 A HN 0.173 nan 8.150 nan 0.000 0.443 240 V N -0.439 119.459 119.914 -0.027 0.000 2.379 240 V HA -0.187 3.933 4.120 0.000 0.000 0.245 240 V C 2.579 178.528 176.094 -0.242 0.000 1.044 240 V CA 1.968 64.219 62.300 -0.083 0.000 1.036 240 V CB -0.763 31.057 31.823 -0.004 0.000 0.664 240 V HN 0.516 nan 8.190 nan 0.000 0.453 241 R N -0.759 119.636 120.500 -0.176 0.000 2.105 241 R HA -0.200 4.140 4.340 0.000 0.000 0.239 241 R C 2.281 178.482 176.300 -0.166 0.000 1.135 241 R CA 1.945 57.924 56.100 -0.201 0.000 0.967 241 R CB -0.552 29.721 30.300 -0.044 0.000 0.861 241 R HN 0.500 nan 8.270 nan 0.000 0.442 242 C N -1.373 117.866 119.300 -0.102 0.000 2.446 242 C HA 0.100 4.560 4.460 0.000 0.000 0.279 242 C C 1.482 176.424 174.990 -0.080 0.000 1.366 242 C CA 0.910 59.886 59.018 -0.070 0.000 1.763 242 C CB -0.352 27.364 27.740 -0.040 0.000 1.929 242 C HN 0.820 nan 8.230 nan 0.000 0.509 243 G N 0.167 108.904 108.800 -0.107 0.000 2.186 243 G HA2 -0.070 3.890 3.960 0.000 0.000 0.130 243 G HA3 -0.070 3.890 3.960 0.000 0.000 0.130 243 G C -0.015 174.869 174.900 -0.026 0.000 1.031 243 G CA 0.096 45.144 45.100 -0.088 0.000 0.697 243 G HN 0.920 nan 8.290 nan 0.000 0.494 244 V N -1.297 118.610 119.914 -0.012 0.000 2.715 244 V HA 0.655 4.775 4.120 0.000 0.000 0.299 244 V C 1.528 177.661 176.094 0.064 0.000 1.054 244 V CA 0.583 62.910 62.300 0.046 0.000 1.077 244 V CB 1.441 33.297 31.823 0.055 0.000 0.972 244 V HN 0.417 nan 8.190 nan 0.000 0.484 245 R N 2.799 123.373 120.500 0.123 0.000 2.066 245 R HA 0.093 4.433 4.340 0.000 0.000 0.224 245 R C 1.003 177.388 176.300 0.142 0.000 1.122 245 R CA 1.288 57.450 56.100 0.104 0.000 0.974 245 R CB -0.008 30.295 30.300 0.005 0.000 0.871 245 R HN 1.017 nan 8.270 nan 0.000 0.435 246 T N -1.591 113.046 114.554 0.139 0.000 2.887 246 T HA 0.507 4.857 4.350 0.000 0.000 0.288 246 T C -0.277 174.488 174.700 0.108 0.000 1.021 246 T CA -0.950 61.229 62.100 0.132 0.000 1.000 246 T CB 1.809 70.725 68.868 0.080 0.000 1.034 246 T HN -0.079 nan 8.240 nan 0.000 0.467 247 I N 2.708 123.320 120.570 0.070 0.000 2.378 247 I HA 0.374 4.544 4.170 0.000 0.000 0.291 247 I C 0.040 176.175 176.117 0.031 0.000 0.992 247 I CA -0.753 60.578 61.300 0.050 0.000 1.154 247 I CB 1.859 39.874 38.000 0.025 0.000 1.315 247 I HN 0.747 nan 8.210 nan 0.000 0.448 248 E N 6.165 126.393 120.200 0.046 0.000 2.313 248 E HA 0.297 4.647 4.350 0.000 0.000 0.272 248 E C 0.571 177.107 176.600 -0.108 0.000 1.038 248 E CA -0.254 56.101 56.400 -0.076 0.000 0.863 248 E CB 0.832 30.532 29.700 -0.000 0.000 1.060 248 E HN 0.538 nan 8.360 nan 0.000 0.402 249 H N 1.520 120.586 119.070 -0.006 0.000 1.456 249 H HA -0.304 4.252 4.556 0.000 0.000 0.090 249 H C 0.983 176.389 175.328 0.130 0.000 0.611 249 H CA 1.444 57.537 56.048 0.075 0.000 1.901 249 H CB -1.445 28.343 29.762 0.044 0.000 2.256 249 H HN 0.877 nan 8.280 nan 0.000 0.961 250 G N 1.554 110.508 108.800 0.255 0.000 2.212 250 G HA2 -0.308 3.652 3.960 0.000 0.000 0.255 250 G HA3 -0.308 3.652 3.960 0.000 0.000 0.255 250 G C 0.501 175.575 174.900 0.290 0.000 1.062 250 G CA 0.944 46.204 45.100 0.267 0.000 0.815 250 G HN 0.600 nan 8.290 nan 0.000 0.497 251 N N -0.433 118.451 118.700 0.306 0.000 2.459 251 N HA 0.088 4.828 4.740 0.000 0.000 0.181 251 N C 1.453 176.973 175.510 0.017 0.000 1.046 251 N CA 0.931 54.060 53.050 0.133 0.000 0.904 251 N CB -0.017 38.482 38.487 0.020 0.000 0.964 251 N HN 0.597 nan 8.380 nan 0.000 0.444 252 L N 0.665 121.923 121.223 0.058 0.000 2.999 252 L HA 0.346 4.686 4.340 0.000 0.000 0.263 252 L C -0.476 176.399 176.870 0.008 0.000 1.320 252 L CA -0.568 54.267 54.840 -0.007 0.000 0.913 252 L CB 0.295 42.339 42.059 -0.025 0.000 1.296 252 L HN -0.161 nan 8.230 nan 0.000 0.546 253 V N -2.230 117.682 119.914 -0.004 0.000 2.924 253 V HA 0.275 4.395 4.120 0.000 0.000 0.305 253 V C 0.044 176.116 176.094 -0.037 0.000 1.073 253 V CA -0.642 61.658 62.300 -0.000 0.000 1.098 253 V CB 0.664 32.475 31.823 -0.020 0.000 1.000 253 V HN 0.457 nan 8.190 nan 0.000 0.484 254 D N 1.223 121.617 120.400 -0.010 0.000 2.392 254 D HA 0.314 4.954 4.640 0.000 0.000 0.246 254 D C 0.811 177.105 176.300 -0.009 0.000 1.013 254 D CA -0.548 53.440 54.000 -0.020 0.000 0.993 254 D CB 0.869 41.664 40.800 -0.009 0.000 1.219 254 D HN 0.678 nan 8.370 nan 0.000 0.538 255 E N 0.002 120.192 120.200 -0.016 0.000 2.418 255 E HA -0.126 4.224 4.350 0.000 0.000 0.197 255 E C 1.303 177.911 176.600 0.014 0.000 1.026 255 E CA 0.580 56.976 56.400 -0.006 0.000 0.862 255 E CB -0.154 29.535 29.700 -0.018 0.000 0.799 255 E HN 0.467 nan 8.360 nan 0.000 0.518 256 A N 1.692 124.522 122.820 0.016 0.000 1.930 256 A HA 0.220 4.540 4.320 0.000 0.000 0.215 256 A C 2.442 180.052 177.584 0.042 0.000 1.176 256 A CA 1.329 53.380 52.037 0.023 0.000 0.632 256 A CB -0.424 18.587 19.000 0.018 0.000 0.819 256 A HN 0.376 nan 8.150 nan 0.000 0.445 257 A N -0.128 122.724 122.820 0.053 0.000 1.929 257 A HA 0.279 4.599 4.320 0.000 0.000 0.216 257 A C 2.429 180.078 177.584 0.109 0.000 1.176 257 A CA 1.689 53.774 52.037 0.079 0.000 0.628 257 A CB -0.842 18.206 19.000 0.080 0.000 0.816 257 A HN 0.946 nan 8.150 nan 0.000 0.444 258 A N -0.280 122.613 122.820 0.122 0.000 1.969 258 A HA -0.114 4.206 4.320 0.000 0.000 0.218 258 A C 2.120 179.777 177.584 0.122 0.000 1.169 258 A CA 1.772 53.911 52.037 0.170 0.000 0.635 258 A CB -0.382 18.730 19.000 0.186 0.000 0.810 258 A HN 0.498 nan 8.150 nan 0.000 0.445 259 K N -0.615 119.832 120.400 0.080 0.000 2.026 259 K HA -0.116 4.204 4.320 0.000 0.000 0.208 259 K C 1.885 178.515 176.600 0.051 0.000 1.048 259 K CA 1.532 57.856 56.287 0.063 0.000 0.929 259 K CB -0.305 32.215 32.500 0.033 0.000 0.713 259 K HN 0.361 nan 8.250 nan 0.000 0.439 260 L N 1.177 122.427 121.223 0.046 0.000 2.191 260 L HA -0.139 4.201 4.340 0.000 0.000 0.212 260 L C 2.277 179.197 176.870 0.083 0.000 1.103 260 L CA 1.355 56.214 54.840 0.032 0.000 0.769 260 L CB -0.122 41.998 42.059 0.102 0.000 0.908 260 L HN 0.279 nan 8.230 nan 0.000 0.438 261 M N -1.952 117.710 119.600 0.104 0.000 2.098 261 M HA -0.210 4.270 4.480 0.000 0.000 0.262 261 M C 2.357 178.675 176.300 0.030 0.000 1.072 261 M CA 1.788 57.142 55.300 0.090 0.000 1.133 261 M CB -0.568 32.072 32.600 0.067 0.000 1.344 261 M HN 0.386 nan 8.290 nan 0.000 0.414 262 H N 0.514 119.555 119.070 -0.048 0.000 2.387 262 H HA -0.125 4.431 4.556 0.000 0.000 0.299 262 H C 1.685 176.952 175.328 -0.102 0.000 1.090 262 H CA 2.075 58.072 56.048 -0.085 0.000 1.332 262 H CB 0.027 29.753 29.762 -0.060 0.000 1.386 262 H HN 0.404 nan 8.280 nan 0.000 0.516 263 E N -1.119 118.952 120.200 -0.215 0.000 2.110 263 E HA -0.176 4.174 4.350 0.000 0.000 0.193 263 E C 1.769 178.161 176.600 -0.347 0.000 0.988 263 E CA 1.327 57.534 56.400 -0.322 0.000 0.804 263 E CB -0.036 29.490 29.700 -0.290 0.000 0.745 263 E HN 0.758 nan 8.360 nan 0.000 0.458 264 H N -1.583 117.409 119.070 -0.131 0.000 2.465 264 H HA 0.125 4.681 4.556 0.000 0.000 0.289 264 H C 1.167 176.404 175.328 -0.151 0.000 1.022 264 H CA 0.607 56.589 56.048 -0.110 0.000 1.340 264 H CB 0.818 30.541 29.762 -0.065 0.000 1.437 264 H HN 0.292 nan 8.280 nan 0.000 0.539 265 G N -0.142 108.594 108.800 -0.107 0.000 2.141 265 G HA2 -0.148 3.812 3.960 0.000 0.000 0.164 265 G HA3 -0.148 3.812 3.960 0.000 0.000 0.164 265 G C 0.073 174.782 174.900 -0.318 0.000 1.009 265 G CA -0.135 44.821 45.100 -0.239 0.000 0.677 265 G HN 0.590 nan 8.290 nan 0.000 0.508 266 A N 0.139 122.850 122.820 -0.182 0.000 2.409 266 A HA 0.732 5.052 4.320 0.000 0.000 0.267 266 A C 0.108 177.554 177.584 -0.231 0.000 1.127 266 A CA -0.056 51.908 52.037 -0.122 0.000 0.795 266 A CB 0.120 19.112 19.000 -0.014 0.000 1.061 266 A HN 0.594 nan 8.150 nan 0.000 0.502 267 F N 1.599 121.494 119.950 -0.090 0.000 2.375 267 F HA 0.473 5.000 4.527 0.000 0.000 0.333 267 F C 0.417 176.127 175.800 -0.151 0.000 1.104 267 F CA -0.323 57.607 58.000 -0.115 0.000 1.149 267 F CB 1.509 40.442 39.000 -0.113 0.000 1.190 267 F HN 0.266 nan 8.300 nan 0.000 0.533 268 V N 2.886 122.773 119.914 -0.045 0.000 2.495 268 V HA 0.395 4.515 4.120 0.000 0.000 0.298 268 V C -0.576 175.477 176.094 -0.068 0.000 1.031 268 V CA -0.881 61.322 62.300 -0.161 0.000 0.871 268 V CB 1.773 33.257 31.823 -0.566 0.000 0.988 268 V HN 0.479 nan 8.190 nan 0.000 0.432 269 V N 6.820 126.709 119.914 -0.041 0.000 2.275 269 V HA 0.335 4.455 4.120 0.000 0.000 0.272 269 V C -2.380 173.661 176.094 -0.088 0.000 1.028 269 V CA -1.715 60.560 62.300 -0.042 0.000 0.810 269 V CB 1.048 32.867 31.823 -0.007 0.000 1.043 269 V HN 0.731 nan 8.190 nan 0.000 0.453 270 P HA 0.355 nan 4.420 nan 0.000 0.277 270 P C 0.110 177.359 177.300 -0.085 0.000 1.240 270 P CA -0.164 62.946 63.100 0.017 0.000 0.798 270 P CB 0.701 32.469 31.700 0.114 0.000 0.979 271 T N -1.478 113.077 114.554 0.002 0.000 3.585 271 T HA 0.320 4.670 4.350 0.000 0.000 0.252 271 T C 0.837 175.535 174.700 -0.003 0.000 1.382 271 T CA -0.443 61.587 62.100 -0.117 0.000 1.584 271 T CB -1.007 67.699 68.868 -0.270 0.000 0.892 271 T HN 0.088 nan 8.240 nan 0.000 0.671 272 L N 0.393 121.643 121.223 0.045 0.000 2.156 272 L HA 0.048 4.388 4.340 0.000 0.000 0.208 272 L C 2.660 179.582 176.870 0.086 0.000 1.095 272 L CA 0.576 55.528 54.840 0.187 0.000 0.770 272 L CB -0.401 41.723 42.059 0.109 0.000 0.914 272 L HN 0.427 nan 8.230 nan 0.000 0.439 273 V N -0.436 119.453 119.914 -0.042 0.000 2.594 273 V HA -0.282 3.838 4.120 0.000 0.000 0.253 273 V C 2.575 178.630 176.094 -0.065 0.000 1.069 273 V CA 2.387 64.664 62.300 -0.038 0.000 1.082 273 V CB -0.059 31.751 31.823 -0.023 0.000 0.680 273 V HN 0.507 nan 8.190 nan 0.000 0.469 274 T N -1.436 113.014 114.554 -0.172 0.000 3.023 274 T HA -0.118 4.232 4.350 0.000 0.000 0.266 274 T C 1.520 176.088 174.700 -0.221 0.000 1.093 274 T CA 1.433 63.404 62.100 -0.216 0.000 1.129 274 T CB -0.251 68.446 68.868 -0.285 0.000 0.899 274 T HN 0.669 nan 8.240 nan 0.000 0.491 275 Y N 1.190 121.501 120.300 0.017 0.000 2.337 275 Y HA 0.123 4.673 4.550 0.000 0.000 0.293 275 Y C 2.330 178.204 175.900 -0.043 0.000 1.123 275 Y CA 0.459 58.556 58.100 -0.004 0.000 1.201 275 Y CB -0.361 38.097 38.460 -0.004 0.000 1.011 275 Y HN 0.223 nan 8.280 nan 0.000 0.545 276 D N -0.261 120.180 120.400 0.069 0.000 2.224 276 D HA -0.065 4.575 4.640 0.000 0.000 0.205 276 D C 2.188 178.417 176.300 -0.119 0.000 0.965 276 D CA 1.172 55.152 54.000 -0.034 0.000 0.852 276 D CB -0.266 40.504 40.800 -0.051 0.000 0.947 276 D HN 0.314 nan 8.370 nan 0.000 0.494 277 A N 0.251 123.015 122.820 -0.094 0.000 1.929 277 A HA -0.004 4.316 4.320 0.000 0.000 0.216 277 A C 2.128 179.687 177.584 -0.041 0.000 1.176 277 A CA 0.570 52.560 52.037 -0.079 0.000 0.628 277 A CB -0.503 18.530 19.000 0.054 0.000 0.816 277 A HN 0.202 nan 8.150 nan 0.000 0.444 278 L N -0.792 120.425 121.223 -0.009 0.000 2.554 278 L HA 0.005 4.345 4.340 0.000 0.000 0.226 278 L C 2.740 179.585 176.870 -0.042 0.000 1.137 278 L CA 0.431 55.276 54.840 0.008 0.000 0.863 278 L CB -0.328 41.765 42.059 0.056 0.000 0.985 278 L HN 0.452 nan 8.230 nan 0.000 0.451 279 A N 0.373 123.143 122.820 -0.084 0.000 1.840 279 A HA -0.154 4.167 4.320 0.000 0.000 0.214 279 A C 2.272 179.736 177.584 -0.200 0.000 1.198 279 A CA 1.337 53.306 52.037 -0.113 0.000 0.608 279 A CB -0.165 18.773 19.000 -0.103 0.000 0.839 279 A HN 0.131 nan 8.150 nan 0.000 0.443 280 K N -0.510 119.675 120.400 -0.358 0.000 2.076 280 K HA 0.004 4.324 4.320 0.000 0.000 0.204 280 K C 0.386 176.610 176.600 -0.627 0.000 1.051 280 K CA 1.165 57.106 56.287 -0.577 0.000 0.949 280 K CB 0.031 31.986 32.500 -0.908 0.000 0.726 280 K HN 0.634 nan 8.250 nan 0.000 0.443 281 H N -1.510 117.417 119.070 -0.238 0.000 2.534 281 H HA 0.329 4.885 4.556 0.000 0.000 0.250 281 H C 0.918 176.086 175.328 -0.267 0.000 1.256 281 H CA 0.029 55.812 56.048 -0.442 0.000 1.000 281 H CB 0.390 29.631 29.762 -0.868 0.000 1.801 281 H HN 0.203 nan 8.280 nan 0.000 0.569 282 G N 0.848 109.603 108.800 -0.075 0.000 2.607 282 G HA2 -0.075 3.885 3.960 0.000 0.000 0.215 282 G HA3 -0.075 3.885 3.960 0.000 0.000 0.215 282 G C 1.587 176.502 174.900 0.024 0.000 1.275 282 G CA 0.765 45.865 45.100 -0.001 0.000 0.842 282 G HN 0.434 nan 8.290 nan 0.000 0.555 283 A N 0.065 122.887 122.820 0.004 0.000 2.168 283 A HA 0.135 4.455 4.320 0.000 0.000 0.215 283 A C 2.034 179.634 177.584 0.027 0.000 1.152 283 A CA 1.758 53.808 52.037 0.022 0.000 0.716 283 A CB -0.310 18.697 19.000 0.010 0.000 0.794 283 A HN 0.541 nan 8.150 nan 0.000 0.465 284 E N -0.979 119.210 120.200 -0.018 0.000 2.106 284 E HA -0.115 4.235 4.350 0.000 0.000 0.192 284 E C 0.032 176.693 176.600 0.102 0.000 0.984 284 E CA 0.777 57.152 56.400 -0.041 0.000 0.806 284 E CB -0.070 29.516 29.700 -0.190 0.000 0.750 284 E HN 0.506 nan 8.360 nan 0.000 0.458 285 F N 0.052 120.046 119.950 0.074 0.000 2.898 285 F HA 0.343 4.870 4.527 0.000 0.000 0.290 285 F C 1.315 177.135 175.800 0.032 0.000 1.195 285 F CA 0.225 58.255 58.000 0.051 0.000 1.387 285 F CB 0.449 39.487 39.000 0.064 0.000 0.976 285 F HN 0.188 nan 8.300 nan 0.000 0.510 286 G N 0.310 109.228 108.800 0.197 0.000 2.179 286 G HA2 -0.366 3.594 3.960 0.000 0.000 0.260 286 G HA3 -0.366 3.594 3.960 0.000 0.000 0.260 286 G C 0.594 175.543 174.900 0.082 0.000 0.977 286 G CA 0.243 45.409 45.100 0.111 0.000 0.641 286 G HN 0.389 nan 8.290 nan 0.000 0.533 287 M N 1.691 121.350 119.600 0.098 0.000 2.248 287 M HA 0.484 4.965 4.480 0.000 0.000 0.337 287 M C -1.856 174.477 176.300 0.055 0.000 1.121 287 M CA -1.155 54.188 55.300 0.073 0.000 1.155 287 M CB 0.533 33.184 32.600 0.086 0.000 1.514 287 M HN -0.031 nan 8.290 nan 0.000 0.452 288 P HA 0.106 nan 4.420 nan 0.000 0.268 288 P C -2.349 174.977 177.300 0.043 0.000 1.205 288 P CA -0.866 62.261 63.100 0.045 0.000 0.771 288 P CB 0.184 31.915 31.700 0.052 0.000 0.858 289 P HA -0.190 nan 4.420 nan 0.000 0.216 289 P C 1.375 178.690 177.300 0.026 0.000 1.153 289 P CA 1.468 64.584 63.100 0.026 0.000 0.848 289 P CB -0.168 31.544 31.700 0.020 0.000 0.787 290 E N -0.087 120.131 120.200 0.030 0.000 2.110 290 E HA -0.133 4.217 4.350 0.000 0.000 0.193 290 E C 1.814 178.436 176.600 0.037 0.000 0.988 290 E CA 1.392 57.809 56.400 0.029 0.000 0.804 290 E CB -1.444 28.275 29.700 0.031 0.000 0.745 290 E HN 0.153 nan 8.360 nan 0.000 0.458 291 S N 1.085 116.816 115.700 0.053 0.000 2.387 291 S HA -0.128 4.342 4.470 0.000 0.000 0.230 291 S C 2.209 176.843 174.600 0.056 0.000 1.035 291 S CA 1.585 59.827 58.200 0.071 0.000 1.014 291 S CB -0.327 62.923 63.200 0.084 0.000 0.836 291 S HN 0.224 nan 8.310 nan 0.000 0.466 292 V N 1.410 121.348 119.914 0.039 0.000 2.719 292 V HA 0.029 4.149 4.120 0.000 0.000 0.252 292 V C 2.437 178.536 176.094 0.008 0.000 1.065 292 V CA 1.178 63.493 62.300 0.025 0.000 1.086 292 V CB -1.170 30.662 31.823 0.014 0.000 0.700 292 V HN 0.511 nan 8.190 nan 0.000 0.467 293 A N -0.159 122.666 122.820 0.007 0.000 2.121 293 A HA -0.102 4.218 4.320 0.000 0.000 0.218 293 A C 2.199 179.773 177.584 -0.018 0.000 1.154 293 A CA 1.311 53.344 52.037 -0.006 0.000 0.679 293 A CB -0.270 18.728 19.000 -0.002 0.000 0.795 293 A HN 0.539 nan 8.150 nan 0.000 0.458 294 K N -1.272 119.121 120.400 -0.011 0.000 2.353 294 K HA 0.216 4.536 4.320 0.000 0.000 0.195 294 K C 1.184 177.749 176.600 -0.059 0.000 1.031 294 K CA 0.203 56.468 56.287 -0.037 0.000 1.079 294 K CB 0.507 32.994 32.500 -0.022 0.000 0.857 294 K HN 0.214 nan 8.250 nan 0.000 0.535 295 V N 0.696 120.599 119.914 -0.019 0.000 3.406 295 V HA 0.061 4.181 4.120 0.000 0.000 0.263 295 V C 1.547 177.616 176.094 -0.042 0.000 1.172 295 V CA 0.923 63.223 62.300 0.000 0.000 1.140 295 V CB 0.202 32.071 31.823 0.075 0.000 0.784 295 V HN 0.253 nan 8.190 nan 0.000 0.467 296 A N -0.199 122.588 122.820 -0.056 0.000 2.235 296 A HA 0.035 4.355 4.320 0.000 0.000 0.208 296 A C 2.137 179.662 177.584 -0.097 0.000 1.172 296 A CA 1.285 53.282 52.037 -0.067 0.000 0.786 296 A CB -0.244 18.723 19.000 -0.054 0.000 0.804 296 A HN 0.735 nan 8.150 nan 0.000 0.479 297 S N -1.743 113.874 115.700 -0.137 0.000 2.593 297 S HA 0.022 4.492 4.470 0.000 0.000 0.235 297 S C 1.428 175.879 174.600 -0.249 0.000 1.059 297 S CA 0.752 58.852 58.200 -0.167 0.000 0.953 297 S CB -0.576 62.532 63.200 -0.154 0.000 0.897 297 S HN 0.560 nan 8.310 nan 0.000 0.507 298 V N 1.790 121.493 119.914 -0.352 0.000 2.591 298 V HA -0.073 4.047 4.120 0.000 0.000 0.249 298 V C 2.678 178.455 176.094 -0.529 0.000 1.053 298 V CA 1.351 63.316 62.300 -0.559 0.000 1.068 298 V CB -1.610 29.681 31.823 -0.887 0.000 0.689 298 V HN 0.670 nan 8.190 nan 0.000 0.462 299 Q N 0.419 119.988 119.800 -0.385 0.000 2.230 299 Q HA -0.154 4.186 4.340 0.000 0.000 0.202 299 Q C 2.074 177.984 176.000 -0.150 0.000 0.963 299 Q CA 1.239 56.903 55.803 -0.232 0.000 0.866 299 Q CB -0.458 28.230 28.738 -0.082 0.000 0.931 299 Q HN 0.660 nan 8.270 nan 0.000 0.452 300 Q N 1.741 121.451 119.800 -0.150 0.000 1.948 300 Q HA -0.131 4.209 4.340 0.000 0.000 0.205 300 Q C 1.549 177.486 176.000 -0.105 0.000 0.992 300 Q CA 1.524 57.261 55.803 -0.110 0.000 0.849 300 Q CB -0.329 28.344 28.738 -0.109 0.000 0.918 300 Q HN 0.257 nan 8.270 nan 0.000 0.421 301 K N 0.536 120.862 120.400 -0.124 0.000 2.487 301 K HA 0.070 4.390 4.320 0.000 0.000 0.192 301 K C 1.751 178.286 176.600 -0.110 0.000 1.027 301 K CA 0.565 56.785 56.287 -0.112 0.000 1.054 301 K CB -0.418 32.015 32.500 -0.113 0.000 0.824 301 K HN 0.393 nan 8.250 nan 0.000 0.510 302 G N 0.472 109.201 108.800 -0.118 0.000 2.402 302 G HA2 -0.231 3.729 3.960 0.000 0.000 0.216 302 G HA3 -0.231 3.729 3.960 0.000 0.000 0.216 302 G C 1.491 176.374 174.900 -0.028 0.000 1.162 302 G CA 0.284 45.338 45.100 -0.077 0.000 0.777 302 G HN 0.229 nan 8.290 nan 0.000 0.539 303 R N -0.076 120.403 120.500 -0.034 0.000 2.115 303 R HA 0.044 4.384 4.340 0.000 0.000 0.226 303 R C 2.393 178.668 176.300 -0.041 0.000 1.100 303 R CA 1.032 57.120 56.100 -0.020 0.000 0.980 303 R CB -0.156 30.133 30.300 -0.017 0.000 0.875 303 R HN 0.439 nan 8.270 nan 0.000 0.445 304 E N 0.408 120.568 120.200 -0.067 0.000 2.152 304 E HA -0.131 4.219 4.350 0.000 0.000 0.192 304 E C 1.794 178.308 176.600 -0.143 0.000 0.983 304 E CA 1.227 57.575 56.400 -0.088 0.000 0.818 304 E CB 0.190 29.838 29.700 -0.087 0.000 0.758 304 E HN 0.291 nan 8.360 nan 0.000 0.467 305 S N 0.264 115.857 115.700 -0.178 0.000 2.399 305 S HA -0.162 4.308 4.470 0.000 0.000 0.231 305 S C 1.910 176.214 174.600 -0.494 0.000 1.022 305 S CA 0.621 58.598 58.200 -0.371 0.000 0.983 305 S CB -0.299 62.740 63.200 -0.268 0.000 0.803 305 S HN 0.128 nan 8.310 nan 0.000 0.480 306 L N 2.114 123.250 121.223 -0.146 0.000 2.012 306 L HA -0.038 4.302 4.340 0.000 0.000 0.210 306 L C 2.801 179.664 176.870 -0.011 0.000 1.073 306 L CA 1.755 56.609 54.840 0.024 0.000 0.748 306 L CB -1.196 40.894 42.059 0.053 0.000 0.891 306 L HN 0.422 nan 8.230 nan 0.000 0.431 307 E N -0.726 119.435 120.200 -0.066 0.000 2.150 307 E HA -0.160 4.190 4.350 0.000 0.000 0.193 307 E C 2.326 178.878 176.600 -0.079 0.000 0.985 307 E CA 0.904 57.275 56.400 -0.050 0.000 0.814 307 E CB -0.095 29.576 29.700 -0.049 0.000 0.752 307 E HN 0.478 nan 8.360 nan 0.000 0.466 308 I N 0.419 120.881 120.570 -0.180 0.000 2.226 308 I HA -0.280 3.890 4.170 0.000 0.000 0.245 308 I C 1.944 177.997 176.117 -0.106 0.000 1.100 308 I CA 1.097 62.279 61.300 -0.197 0.000 1.374 308 I CB -0.277 37.538 38.000 -0.308 0.000 1.057 308 I HN 0.102 nan 8.210 nan 0.000 0.413 309 Y N 0.793 121.092 120.300 -0.002 0.000 2.314 309 Y HA -0.064 4.486 4.550 0.000 0.000 0.293 309 Y C 2.634 178.525 175.900 -0.015 0.000 1.129 309 Y CA 0.485 58.584 58.100 -0.002 0.000 1.201 309 Y CB -1.228 37.240 38.460 0.014 0.000 0.999 309 Y HN 0.089 nan 8.280 nan 0.000 0.541 310 A N 0.759 123.656 122.820 0.128 0.000 1.877 310 A HA -0.198 4.122 4.320 0.000 0.000 0.216 310 A C 2.086 179.680 177.584 0.016 0.000 1.186 310 A CA 1.960 54.034 52.037 0.063 0.000 0.620 310 A CB -0.659 18.366 19.000 0.042 0.000 0.822 310 A HN 0.442 nan 8.150 nan 0.000 0.443 311 N N 0.299 119.000 118.700 0.000 0.000 2.270 311 N HA -0.010 4.730 4.740 0.000 0.000 0.181 311 N C 1.649 177.130 175.510 -0.048 0.000 1.016 311 N CA 1.355 54.390 53.050 -0.025 0.000 0.870 311 N CB -0.428 38.043 38.487 -0.027 0.000 0.979 311 N HN 0.478 nan 8.380 nan 0.000 0.431 312 A N 0.211 123.013 122.820 -0.029 0.000 2.123 312 A HA 0.381 4.701 4.320 0.000 0.000 0.214 312 A C 1.302 178.780 177.584 -0.177 0.000 1.152 312 A CA 0.789 52.792 52.037 -0.057 0.000 0.728 312 A CB -0.291 18.725 19.000 0.027 0.000 0.814 312 A HN 0.299 nan 8.150 nan 0.000 0.464 313 G N -0.758 107.961 108.800 -0.135 0.000 2.303 313 G HA2 -0.100 3.861 3.960 0.000 0.000 0.260 313 G HA3 -0.100 3.861 3.960 0.000 0.000 0.260 313 G C -0.210 174.662 174.900 -0.047 0.000 1.106 313 G CA -0.008 44.971 45.100 -0.202 0.000 0.900 313 G HN 0.920 nan 8.290 nan 0.000 0.495 314 V N 0.120 120.049 119.914 0.026 0.000 2.333 314 V HA 0.414 4.534 4.120 0.000 0.000 0.274 314 V C 0.721 176.785 176.094 -0.049 0.000 1.028 314 V CA -1.116 61.179 62.300 -0.008 0.000 0.851 314 V CB 1.359 33.172 31.823 -0.017 0.000 1.000 314 V HN 0.391 nan 8.190 nan 0.000 0.456 315 K N 4.863 125.212 120.400 -0.085 0.000 2.451 315 K HA 0.306 4.626 4.320 0.000 0.000 0.280 315 K C -0.302 176.327 176.600 0.048 0.000 1.020 315 K CA 0.662 56.950 56.287 0.002 0.000 1.008 315 K CB 0.259 32.769 32.500 0.017 0.000 0.917 315 K HN 0.607 nan 8.250 nan 0.000 0.478 316 M N 2.355 122.001 119.600 0.076 0.000 2.114 316 M HA 0.293 4.773 4.480 0.000 0.000 0.332 316 M C 0.429 176.791 176.300 0.103 0.000 1.014 316 M CA -0.467 54.869 55.300 0.061 0.000 0.956 316 M CB 1.967 34.609 32.600 0.071 0.000 1.551 316 M HN 0.763 nan 8.290 nan 0.000 0.427 317 G N 1.755 110.609 108.800 0.090 0.000 2.522 317 G HA2 0.513 4.473 3.960 0.000 0.000 0.304 317 G HA3 0.513 4.473 3.960 0.000 0.000 0.304 317 G C -1.502 173.467 174.900 0.116 0.000 1.210 317 G CA -0.441 44.722 45.100 0.105 0.000 0.960 317 G HN 0.580 nan 8.290 nan 0.000 0.497 318 F N 0.367 120.315 119.950 -0.003 0.000 2.404 318 F HA 0.610 5.137 4.527 0.000 0.000 0.345 318 F C 0.484 176.273 175.800 -0.018 0.000 1.110 318 F CA -0.240 57.732 58.000 -0.046 0.000 1.130 318 F CB 1.526 40.490 39.000 -0.061 0.000 1.129 318 F HN 0.535 nan 8.300 nan 0.000 0.500 319 G N 3.035 111.487 108.800 -0.581 0.000 2.732 319 G HA2 0.400 4.360 3.960 0.000 0.000 0.295 319 G HA3 0.400 4.360 3.960 0.000 0.000 0.295 319 G C -0.415 174.196 174.900 -0.483 0.000 1.456 319 G CA -0.096 44.789 45.100 -0.358 0.000 1.050 319 G HN 0.794 nan 8.290 nan 0.000 0.525 320 S N 1.547 117.081 115.700 -0.276 0.000 2.438 320 S HA 0.128 4.598 4.470 0.000 0.000 0.220 320 S C 0.955 175.462 174.600 -0.155 0.000 1.045 320 S CA 1.125 59.201 58.200 -0.207 0.000 0.940 320 S CB -0.090 63.053 63.200 -0.095 0.000 0.863 320 S HN 0.811 nan 8.310 nan 0.000 0.539 321 D N 0.610 120.970 120.400 -0.066 0.000 2.723 321 D HA -0.117 4.523 4.640 0.000 0.000 0.236 321 D C -0.872 175.409 176.300 -0.031 0.000 1.138 321 D CA 0.328 54.335 54.000 0.012 0.000 0.676 321 D CB -1.977 38.761 40.800 -0.104 0.000 1.069 321 D HN 0.529 nan 8.370 nan 0.000 0.430 322 L N -0.098 121.053 121.223 -0.120 0.000 2.375 322 L HA 0.536 4.876 4.340 0.000 0.000 0.271 322 L C 0.590 177.164 176.870 -0.494 0.000 1.107 322 L CA -0.644 54.047 54.840 -0.247 0.000 0.806 322 L CB 1.063 42.977 42.059 -0.240 0.000 1.146 322 L HN 0.026 nan 8.230 nan 0.000 0.447 323 L N 2.013 123.058 121.223 -0.296 0.000 2.385 323 L HA 0.758 5.098 4.340 0.000 0.000 0.273 323 L C 0.628 177.474 176.870 -0.040 0.000 0.990 323 L CA -0.572 54.181 54.840 -0.145 0.000 0.821 323 L CB 1.519 43.581 42.059 0.006 0.000 1.279 323 L HN 0.845 nan 8.230 nan 0.000 0.412 324 G N 2.252 111.134 108.800 0.137 0.000 2.539 324 G HA2 -0.271 3.689 3.960 0.000 0.000 0.256 324 G HA3 -0.271 3.689 3.960 0.000 0.000 0.256 324 G C 0.670 175.646 174.900 0.127 0.000 1.233 324 G CA 0.333 45.497 45.100 0.106 0.000 0.936 324 G HN 0.888 nan 8.290 nan 0.000 0.571 325 E N 0.574 120.708 120.200 -0.111 0.000 2.472 325 E HA -0.021 4.329 4.350 0.000 0.000 0.200 325 E C 2.415 178.963 176.600 -0.087 0.000 1.046 325 E CA 1.379 57.676 56.400 -0.171 0.000 0.871 325 E CB -0.255 29.205 29.700 -0.399 0.000 0.806 325 E HN 0.684 nan 8.360 nan 0.000 0.533 326 M N 0.303 119.938 119.600 0.057 0.000 2.549 326 M HA -0.042 4.438 4.480 0.000 0.000 0.260 326 M C 1.254 177.605 176.300 0.085 0.000 1.076 326 M CA 0.846 56.288 55.300 0.237 0.000 1.090 326 M CB -0.417 32.378 32.600 0.325 0.000 1.418 326 M HN 0.163 nan 8.290 nan 0.000 0.486 327 H N -0.242 118.834 119.070 0.011 0.000 2.518 327 H HA -0.063 4.493 4.556 0.000 0.000 0.292 327 H C 2.076 177.361 175.328 -0.072 0.000 1.068 327 H CA 1.306 57.346 56.048 -0.013 0.000 1.275 327 H CB 0.028 29.770 29.762 -0.032 0.000 1.375 327 H HN 0.446 nan 8.280 nan 0.000 0.563 328 A N 0.209 122.952 122.820 -0.128 0.000 2.019 328 A HA -0.123 4.197 4.320 0.000 0.000 0.219 328 A C 1.241 178.668 177.584 -0.262 0.000 1.164 328 A CA 0.929 52.791 52.037 -0.293 0.000 0.644 328 A CB -0.597 18.078 19.000 -0.543 0.000 0.805 328 A HN 0.399 nan 8.150 nan 0.000 0.449 329 F N -0.228 119.792 119.950 0.117 0.000 2.663 329 F HA 0.141 4.668 4.527 0.000 0.000 0.299 329 F C 1.970 177.848 175.800 0.130 0.000 1.143 329 F CA 0.170 58.243 58.000 0.121 0.000 1.387 329 F CB -0.093 38.974 39.000 0.111 0.000 1.019 329 F HN 0.307 nan 8.300 nan 0.000 0.523 330 Q N 0.342 120.289 119.800 0.244 0.000 2.135 330 Q HA -0.178 4.162 4.340 0.000 0.000 0.204 330 Q C 2.002 178.236 176.000 0.389 0.000 0.981 330 Q CA 1.864 57.798 55.803 0.218 0.000 0.856 330 Q CB 0.012 28.808 28.738 0.096 0.000 0.902 330 Q HN 0.340 nan 8.270 nan 0.000 0.425 331 S N -0.410 115.555 115.700 0.443 0.000 2.453 331 S HA -0.047 4.423 4.470 0.000 0.000 0.231 331 S C 1.645 176.539 174.600 0.490 0.000 1.005 331 S CA 0.705 59.231 58.200 0.543 0.000 0.949 331 S CB -0.144 63.279 63.200 0.371 0.000 0.774 331 S HN 0.635 nan 8.310 nan 0.000 0.510 332 G N 1.217 110.233 108.800 0.360 0.000 2.498 332 G HA2 -0.208 3.752 3.960 0.000 0.000 0.219 332 G HA3 -0.208 3.752 3.960 0.000 0.000 0.219 332 G C 1.181 176.210 174.900 0.215 0.000 1.119 332 G CA 0.816 46.076 45.100 0.267 0.000 0.766 332 G HN 0.527 nan 8.290 nan 0.000 0.552 333 E N -0.168 120.153 120.200 0.202 0.000 2.274 333 E HA -0.005 4.345 4.350 0.000 0.000 0.194 333 E C 1.766 178.435 176.600 0.114 0.000 0.996 333 E CA 0.370 56.771 56.400 0.003 0.000 0.840 333 E CB -0.320 29.130 29.700 -0.416 0.000 0.772 333 E HN 0.428 nan 8.360 nan 0.000 0.491 334 F N 0.422 120.589 119.950 0.362 0.000 2.146 334 F HA -0.014 4.513 4.527 0.000 0.000 0.298 334 F C 2.436 178.314 175.800 0.131 0.000 1.096 334 F CA 1.285 59.437 58.000 0.253 0.000 1.275 334 F CB -0.193 38.863 39.000 0.093 0.000 1.008 334 F HN -0.027 nan 8.300 nan 0.000 0.480 335 R N 0.177 120.853 120.500 0.293 0.000 2.066 335 R HA -0.123 4.217 4.340 0.000 0.000 0.232 335 R C 2.214 178.589 176.300 0.125 0.000 1.131 335 R CA 1.591 57.796 56.100 0.175 0.000 0.955 335 R CB -0.496 29.887 30.300 0.138 0.000 0.851 335 R HN 0.279 nan 8.270 nan 0.000 0.432 336 I N 0.022 120.655 120.570 0.105 0.000 2.286 336 I HA -0.267 3.903 4.170 0.000 0.000 0.248 336 I C 2.311 178.467 176.117 0.066 0.000 1.115 336 I CA 1.310 62.649 61.300 0.065 0.000 1.392 336 I CB -0.235 37.790 38.000 0.041 0.000 1.065 336 I HN 0.121 nan 8.210 nan 0.000 0.418 337 R N 0.720 121.270 120.500 0.083 0.000 2.090 337 R HA -0.018 4.322 4.340 0.000 0.000 0.228 337 R C 2.463 178.824 176.300 0.102 0.000 1.110 337 R CA 1.255 57.407 56.100 0.087 0.000 0.973 337 R CB -0.309 30.048 30.300 0.096 0.000 0.869 337 R HN 0.346 nan 8.270 nan 0.000 0.440 338 A N 1.040 123.934 122.820 0.124 0.000 1.968 338 A HA -0.142 4.178 4.320 0.000 0.000 0.217 338 A C 1.745 179.373 177.584 0.072 0.000 1.169 338 A CA 1.120 53.220 52.037 0.105 0.000 0.638 338 A CB -0.170 18.899 19.000 0.114 0.000 0.812 338 A HN 0.260 nan 8.150 nan 0.000 0.446 339 E N -0.728 119.512 120.200 0.066 0.000 2.268 339 E HA -0.060 4.290 4.350 0.000 0.000 0.195 339 E C 1.589 178.211 176.600 0.036 0.000 0.995 339 E CA 1.097 57.524 56.400 0.046 0.000 0.836 339 E CB 0.050 29.776 29.700 0.042 0.000 0.763 339 E HN 0.442 nan 8.360 nan 0.000 0.491 340 V N -0.266 119.673 119.914 0.041 0.000 2.908 340 V HA 0.025 4.145 4.120 0.000 0.000 0.240 340 V C 1.425 177.541 176.094 0.036 0.000 1.117 340 V CA 0.733 63.052 62.300 0.031 0.000 1.133 340 V CB 0.299 32.139 31.823 0.028 0.000 0.857 340 V HN 0.186 nan 8.190 nan 0.000 0.478 341 L N 0.119 121.372 121.223 0.050 0.000 3.016 341 L HA 0.612 4.952 4.340 0.000 0.000 0.267 341 L C 0.817 177.720 176.870 0.055 0.000 1.182 341 L CA 0.428 55.299 54.840 0.052 0.000 0.997 341 L CB 0.516 42.613 42.059 0.064 0.000 1.354 341 L HN 0.448 nan 8.230 nan 0.000 0.569 342 G N 1.560 110.394 108.800 0.056 0.000 2.722 342 G HA2 -0.255 3.705 3.960 0.000 0.000 0.686 342 G HA3 -0.255 3.705 3.960 0.000 0.000 0.686 342 G C 0.462 175.406 174.900 0.073 0.000 1.282 342 G CA -0.001 45.133 45.100 0.056 0.000 0.817 342 G HN 0.473 nan 8.290 nan 0.000 0.605 343 N N 0.829 119.571 118.700 0.070 0.000 2.309 343 N HA -0.101 4.639 4.740 0.000 0.000 0.182 343 N C 2.251 177.813 175.510 0.087 0.000 1.018 343 N CA 1.074 54.176 53.050 0.087 0.000 0.876 343 N CB 0.306 38.830 38.487 0.062 0.000 0.972 343 N HN 0.541 nan 8.380 nan 0.000 0.434 344 L N 0.869 122.132 121.223 0.066 0.000 2.093 344 L HA -0.114 4.226 4.340 0.000 0.000 0.208 344 L C 2.486 179.405 176.870 0.082 0.000 1.085 344 L CA 1.483 56.361 54.840 0.063 0.000 0.755 344 L CB -0.147 41.939 42.059 0.044 0.000 0.904 344 L HN 0.118 nan 8.230 nan 0.000 0.435 345 E N 0.036 120.287 120.200 0.085 0.000 2.107 345 E HA -0.131 4.219 4.350 0.000 0.000 0.191 345 E C 2.011 178.688 176.600 0.128 0.000 0.982 345 E CA 1.298 57.755 56.400 0.095 0.000 0.809 345 E CB -0.052 29.697 29.700 0.082 0.000 0.756 345 E HN 0.458 nan 8.360 nan 0.000 0.459 346 A N 0.128 123.039 122.820 0.152 0.000 2.015 346 A HA -0.083 4.237 4.320 0.000 0.000 0.219 346 A C 2.128 179.895 177.584 0.304 0.000 1.163 346 A CA 0.961 53.131 52.037 0.222 0.000 0.646 346 A CB -0.482 18.674 19.000 0.260 0.000 0.806 346 A HN 0.314 nan 8.150 nan 0.000 0.448 347 L N -1.501 119.865 121.223 0.238 0.000 2.240 347 L HA -0.033 4.307 4.340 0.000 0.000 0.211 347 L C 2.711 179.695 176.870 0.190 0.000 1.106 347 L CA 0.577 55.555 54.840 0.230 0.000 0.793 347 L CB -0.316 41.817 42.059 0.123 0.000 0.927 347 L HN 0.340 nan 8.230 nan 0.000 0.446 348 R N -0.662 119.929 120.500 0.152 0.000 2.115 348 R HA -0.079 4.262 4.340 0.000 0.000 0.226 348 R C 2.483 178.870 176.300 0.145 0.000 1.100 348 R CA 1.146 57.324 56.100 0.130 0.000 0.980 348 R CB -0.193 30.171 30.300 0.107 0.000 0.875 348 R HN 0.221 nan 8.270 nan 0.000 0.445 349 S N 0.672 116.471 115.700 0.166 0.000 2.380 349 S HA -0.198 4.272 4.470 0.000 0.000 0.229 349 S C 1.774 176.497 174.600 0.206 0.000 1.043 349 S CA 1.709 60.023 58.200 0.189 0.000 1.038 349 S CB -0.056 63.285 63.200 0.235 0.000 0.872 349 S HN 0.506 nan 8.310 nan 0.000 0.456 350 A N 0.240 123.152 122.820 0.152 0.000 2.348 350 A HA 0.290 4.610 4.320 0.000 0.000 0.224 350 A C 1.676 179.365 177.584 0.175 0.000 1.227 350 A CA 0.819 52.928 52.037 0.120 0.000 0.885 350 A CB -0.157 18.766 19.000 -0.128 0.000 0.933 350 A HN 0.588 nan 8.150 nan 0.000 0.506 351 T N -3.902 110.746 114.554 0.156 0.000 2.995 351 T HA 0.035 4.385 4.350 0.000 0.000 0.170 351 T C 1.864 176.618 174.700 0.091 0.000 0.844 351 T CA 1.242 63.417 62.100 0.126 0.000 1.137 351 T CB -0.996 67.944 68.868 0.120 0.000 2.193 351 T HN 0.242 nan 8.240 nan 0.000 0.384 352 T N 1.034 115.638 114.554 0.084 0.000 2.833 352 T HA -0.032 4.318 4.350 0.000 0.000 0.269 352 T C 2.060 176.803 174.700 0.072 0.000 1.054 352 T CA 1.327 63.468 62.100 0.068 0.000 1.135 352 T CB -1.025 67.881 68.868 0.064 0.000 0.869 352 T HN 0.233 nan 8.240 nan 0.000 0.466 353 V N 1.877 121.846 119.914 0.092 0.000 2.407 353 V HA 0.101 4.221 4.120 0.000 0.000 0.245 353 V C 3.211 179.326 176.094 0.034 0.000 1.041 353 V CA 1.191 63.556 62.300 0.108 0.000 1.040 353 V CB -1.340 30.569 31.823 0.144 0.000 0.671 353 V HN 0.624 nan 8.190 nan 0.000 0.455 354 A N 0.333 123.182 122.820 0.049 0.000 1.933 354 A HA -0.061 4.259 4.320 0.000 0.000 0.218 354 A C 2.385 179.945 177.584 -0.041 0.000 1.175 354 A CA 1.964 54.014 52.037 0.021 0.000 0.628 354 A CB -0.681 18.385 19.000 0.111 0.000 0.814 354 A HN 0.549 nan 8.150 nan 0.000 0.444 355 A N -0.672 122.141 122.820 -0.010 0.000 1.969 355 A HA -0.121 4.199 4.320 0.000 0.000 0.218 355 A C 1.989 179.514 177.584 -0.098 0.000 1.169 355 A CA 1.587 53.607 52.037 -0.028 0.000 0.635 355 A CB -0.411 18.599 19.000 0.017 0.000 0.810 355 A HN 0.634 nan 8.150 nan 0.000 0.445 356 E N -0.260 119.873 120.200 -0.110 0.000 2.152 356 E HA -0.109 4.241 4.350 0.000 0.000 0.192 356 E C 1.805 178.162 176.600 -0.405 0.000 0.983 356 E CA 0.766 57.072 56.400 -0.156 0.000 0.818 356 E CB -0.160 29.526 29.700 -0.024 0.000 0.758 356 E HN 0.686 nan 8.360 nan 0.000 0.467 357 I N 0.804 121.029 120.570 -0.575 0.000 2.163 357 I HA -0.237 3.933 4.170 0.000 0.000 0.243 357 I C 2.240 178.028 176.117 -0.549 0.000 1.085 357 I CA 1.103 61.920 61.300 -0.806 0.000 1.347 357 I CB -0.141 37.498 38.000 -0.602 0.000 1.044 357 I HN 0.124 nan 8.210 nan 0.000 0.408 358 V N -1.649 118.035 119.914 -0.383 0.000 3.646 358 V HA 0.167 4.287 4.120 0.000 0.000 0.277 358 V C 0.341 176.237 176.094 -0.331 0.000 1.274 358 V CA 0.258 62.296 62.300 -0.437 0.000 1.164 358 V CB -1.651 29.689 31.823 -0.805 0.000 0.926 358 V HN 0.649 nan 8.190 nan 0.000 0.442 359 N N 0.599 119.158 118.700 -0.234 0.000 2.740 359 N HA -0.160 4.580 4.740 0.000 0.000 0.248 359 N C 0.140 175.607 175.510 -0.071 0.000 1.062 359 N CA 1.068 54.044 53.050 -0.123 0.000 0.704 359 N CB -0.755 37.699 38.487 -0.055 0.000 0.968 359 N HN 0.482 nan 8.380 nan 0.000 0.547 360 M N 0.313 119.869 119.600 -0.074 0.000 3.189 360 M HA 0.092 4.573 4.480 0.000 0.000 0.365 360 M C 1.374 177.676 176.300 0.004 0.000 1.447 360 M CA -0.121 55.177 55.300 -0.003 0.000 0.739 360 M CB 0.739 33.369 32.600 0.051 0.000 1.411 360 M HN 0.223 nan 8.290 nan 0.000 0.494 361 Q N -0.306 119.489 119.800 -0.008 0.000 2.084 361 Q HA -0.050 4.290 4.340 0.000 0.000 0.202 361 Q C 1.375 177.387 176.000 0.019 0.000 0.978 361 Q CA 2.251 58.057 55.803 0.005 0.000 0.844 361 Q CB -0.853 27.889 28.738 0.007 0.000 0.898 361 Q HN 0.574 nan 8.270 nan 0.000 0.426 362 G N -0.384 108.429 108.800 0.020 0.000 2.813 362 G HA2 -0.071 3.889 3.960 0.000 0.000 0.209 362 G HA3 -0.071 3.889 3.960 0.000 0.000 0.209 362 G C 1.156 176.072 174.900 0.027 0.000 1.150 362 G CA 0.177 45.291 45.100 0.023 0.000 0.785 362 G HN 0.228 nan 8.290 nan 0.000 0.535 363 Q N -0.854 118.967 119.800 0.034 0.000 2.481 363 Q HA 0.438 4.779 4.340 0.000 0.000 0.219 363 Q C 0.980 177.006 176.000 0.043 0.000 0.920 363 Q CA 0.271 56.099 55.803 0.041 0.000 0.915 363 Q CB 0.243 29.015 28.738 0.057 0.000 1.057 363 Q HN 0.353 nan 8.270 nan 0.000 0.581 364 L N -2.171 119.083 121.223 0.052 0.000 2.341 364 L HA 0.597 4.937 4.340 0.000 0.000 0.267 364 L C 1.024 177.919 176.870 0.041 0.000 1.022 364 L CA -0.005 54.868 54.840 0.054 0.000 0.844 364 L CB 1.291 43.406 42.059 0.093 0.000 1.436 364 L HN 0.425 nan 8.230 nan 0.000 0.483 365 G N -0.114 108.711 108.800 0.041 0.000 2.257 365 G HA2 -0.245 3.715 3.960 0.000 0.000 0.267 365 G HA3 -0.245 3.715 3.960 0.000 0.000 0.267 365 G C -0.260 174.658 174.900 0.031 0.000 0.984 365 G CA 0.406 45.532 45.100 0.043 0.000 0.626 365 G HN 0.598 nan 8.290 nan 0.000 0.540 366 V N 1.117 121.042 119.914 0.019 0.000 2.711 366 V HA 0.624 4.744 4.120 0.000 0.000 0.304 366 V C -0.180 175.916 176.094 0.003 0.000 1.097 366 V CA -1.139 61.168 62.300 0.012 0.000 0.906 366 V CB 1.560 33.394 31.823 0.018 0.000 1.015 366 V HN 0.386 nan 8.190 nan 0.000 0.427 367 I N 6.974 127.540 120.570 -0.006 0.000 2.494 367 I HA 0.613 4.783 4.170 0.000 0.000 0.289 367 I C 0.569 176.689 176.117 0.004 0.000 1.106 367 I CA 0.824 62.120 61.300 -0.007 0.000 1.369 367 I CB 0.544 38.533 38.000 -0.017 0.000 1.410 367 I HN 0.833 nan 8.210 nan 0.000 0.523 368 A N 5.418 128.244 122.820 0.010 0.000 2.588 368 A HA 0.703 5.023 4.320 0.000 0.000 0.290 368 A C -0.909 176.686 177.584 0.018 0.000 1.136 368 A CA -0.592 51.455 52.037 0.016 0.000 0.681 368 A CB 1.249 20.259 19.000 0.016 0.000 1.282 368 A HN 0.237 nan 8.150 nan 0.000 0.421 369 V N 1.325 121.252 119.914 0.021 0.000 2.470 369 V HA 0.479 4.599 4.120 0.000 0.000 0.276 369 V C 1.458 177.562 176.094 0.016 0.000 1.040 369 V CA 1.712 64.023 62.300 0.019 0.000 1.008 369 V CB 0.035 31.870 31.823 0.020 0.000 0.990 369 V HN 2.278 nan 8.190 nan 0.000 0.477 370 G N 4.079 112.887 108.800 0.014 0.000 2.234 370 G HA2 -0.135 3.825 3.960 0.000 0.000 0.235 370 G HA3 -0.135 3.825 3.960 0.000 0.000 0.235 370 G C 0.490 175.400 174.900 0.015 0.000 0.997 370 G CA 0.115 45.223 45.100 0.014 0.000 0.623 370 G HN 1.425 nan 8.290 nan 0.000 0.514 371 A N 0.502 123.331 122.820 0.015 0.000 2.445 371 A HA 0.635 4.955 4.320 0.000 0.000 0.242 371 A C 0.760 178.352 177.584 0.013 0.000 1.075 371 A CA -0.010 52.036 52.037 0.016 0.000 0.777 371 A CB 0.168 19.177 19.000 0.015 0.000 1.013 371 A HN 0.824 nan 8.150 nan 0.000 0.493 372 I N 1.665 122.245 120.570 0.017 0.000 2.668 372 I HA 0.053 4.223 4.170 0.000 0.000 0.285 372 I C 1.202 177.321 176.117 0.002 0.000 1.168 372 I CA 0.205 61.513 61.300 0.013 0.000 1.424 372 I CB 0.895 38.909 38.000 0.023 0.000 1.377 372 I HN 0.715 nan 8.210 nan 0.000 0.560 373 A N 5.767 128.584 122.820 -0.005 0.000 2.981 373 A HA 0.111 4.431 4.320 0.000 0.000 0.280 373 A C -0.381 177.188 177.584 -0.025 0.000 1.797 373 A CA -0.149 51.879 52.037 -0.016 0.000 1.456 373 A CB -0.795 18.195 19.000 -0.017 0.000 1.057 373 A HN 0.627 nan 8.150 nan 0.000 0.602 374 D N 1.752 122.134 120.400 -0.031 0.000 2.485 374 D HA 0.530 5.170 4.640 0.000 0.000 0.229 374 D C -0.496 175.752 176.300 -0.088 0.000 1.101 374 D CA 0.304 54.275 54.000 -0.049 0.000 0.906 374 D CB 0.787 41.568 40.800 -0.031 0.000 1.019 374 D HN 0.409 nan 8.370 nan 0.000 0.516 375 L N 1.200 122.365 121.223 -0.097 0.000 2.342 375 L HA 0.683 5.023 4.340 0.000 0.000 0.271 375 L C -0.542 176.228 176.870 -0.165 0.000 1.008 375 L CA -1.133 53.633 54.840 -0.124 0.000 0.818 375 L CB 2.278 44.288 42.059 -0.082 0.000 1.296 375 L HN -0.063 nan 8.230 nan 0.000 0.427 376 V N 2.708 122.489 119.914 -0.223 0.000 2.483 376 V HA 0.337 4.457 4.120 0.000 0.000 0.297 376 V C -0.314 175.701 176.094 -0.132 0.000 1.027 376 V CA -0.668 61.485 62.300 -0.245 0.000 0.855 376 V CB 2.153 33.647 31.823 -0.547 0.000 0.995 376 V HN 0.397 nan 8.190 nan 0.000 0.424 377 V N 6.617 126.512 119.914 -0.032 0.000 2.432 377 V HA 0.400 4.520 4.120 0.000 0.000 0.271 377 V C -0.134 175.974 176.094 0.023 0.000 1.046 377 V CA -0.189 62.129 62.300 0.030 0.000 0.945 377 V CB 1.321 33.240 31.823 0.161 0.000 0.992 377 V HN 0.601 nan 8.190 nan 0.000 0.471 378 L N 4.624 125.848 121.223 0.003 0.000 2.342 378 L HA 0.625 4.965 4.340 0.000 0.000 0.271 378 L C -0.533 176.340 176.870 0.004 0.000 1.008 378 L CA -0.194 54.647 54.840 0.000 0.000 0.818 378 L CB 2.135 44.190 42.059 -0.007 0.000 1.296 378 L HN 0.649 nan 8.230 nan 0.000 0.427 379 D N 2.269 122.670 120.400 0.001 0.000 2.349 379 D HA 0.631 5.271 4.640 0.000 0.000 0.232 379 D C -0.045 176.251 176.300 -0.007 0.000 1.071 379 D CA 0.991 54.991 54.000 0.001 0.000 0.832 379 D CB 0.893 41.695 40.800 0.003 0.000 1.086 379 D HN 0.903 nan 8.370 nan 0.000 0.504 380 G N 2.860 111.654 108.800 -0.010 0.000 2.612 380 G HA2 -0.143 3.818 3.960 0.000 0.000 0.686 380 G HA3 -0.143 3.818 3.960 0.000 0.000 0.686 380 G C -0.737 174.149 174.900 -0.022 0.000 1.274 380 G CA -1.067 44.025 45.100 -0.014 0.000 0.849 380 G HN 0.580 nan 8.290 nan 0.000 0.595 381 N N 1.257 119.943 118.700 -0.022 0.000 2.419 381 N HA 0.524 5.264 4.740 0.000 0.000 0.264 381 N C -0.546 174.947 175.510 -0.029 0.000 1.031 381 N CA -2.042 50.992 53.050 -0.027 0.000 0.951 381 N CB 1.767 40.240 38.487 -0.023 0.000 1.101 381 N HN 0.216 nan 8.380 nan 0.000 0.488 382 P HA -0.044 nan 4.420 nan 0.000 0.229 382 P C 1.235 178.519 177.300 -0.027 0.000 1.160 382 P CA 0.517 63.586 63.100 -0.052 0.000 0.777 382 P CB 0.602 32.255 31.700 -0.078 0.000 0.814 383 L N -0.163 121.051 121.223 -0.016 0.000 2.217 383 L HA -0.090 4.250 4.340 0.000 0.000 0.211 383 L C 2.461 179.331 176.870 0.001 0.000 1.107 383 L CA 1.590 56.428 54.840 -0.003 0.000 0.783 383 L CB -0.686 41.370 42.059 -0.006 0.000 0.919 383 L HN -0.097 nan 8.230 nan 0.000 0.442 384 E N -1.426 118.772 120.200 -0.004 0.000 2.206 384 E HA 0.065 4.415 4.350 0.000 0.000 0.195 384 E C 0.078 176.680 176.600 0.003 0.000 0.935 384 E CA 0.353 56.754 56.400 0.001 0.000 0.875 384 E CB 0.109 29.808 29.700 -0.002 0.000 0.841 384 E HN 0.198 nan 8.360 nan 0.000 0.477 385 D N 0.202 120.600 120.400 -0.003 0.000 2.462 385 D HA 0.177 4.817 4.640 0.000 0.000 0.245 385 D C 0.160 176.453 176.300 -0.012 0.000 1.122 385 D CA -0.360 53.639 54.000 -0.001 0.000 0.864 385 D CB 0.985 41.784 40.800 -0.002 0.000 1.098 385 D HN -0.182 nan 8.370 nan 0.000 0.541 386 I N 3.092 123.662 120.570 0.001 0.000 3.111 386 I HA 0.190 4.360 4.170 0.000 0.000 0.272 386 I C 1.961 178.069 176.117 -0.015 0.000 1.268 386 I CA 0.715 62.009 61.300 -0.009 0.000 1.467 386 I CB -0.077 37.951 38.000 0.046 0.000 1.087 386 I HN 0.585 nan 8.210 nan 0.000 0.467 387 G N -0.074 108.729 108.800 0.004 0.000 2.509 387 G HA2 -0.157 3.803 3.960 0.000 0.000 0.218 387 G HA3 -0.157 3.803 3.960 0.000 0.000 0.218 387 G C 1.642 176.538 174.900 -0.007 0.000 1.124 387 G CA 0.947 46.055 45.100 0.014 0.000 0.776 387 G HN 0.443 nan 8.290 nan 0.000 0.547 388 V N -1.299 118.595 119.914 -0.032 0.000 2.913 388 V HA -0.022 4.098 4.120 0.000 0.000 0.260 388 V C 2.197 178.247 176.094 -0.073 0.000 1.098 388 V CA 1.603 63.879 62.300 -0.039 0.000 1.121 388 V CB -0.221 31.580 31.823 -0.037 0.000 0.714 388 V HN 0.143 nan 8.190 nan 0.000 0.487 389 V N 0.280 120.104 119.914 -0.150 0.000 2.908 389 V HA 0.416 4.536 4.120 0.000 0.000 0.240 389 V C 2.499 178.508 176.094 -0.141 0.000 1.117 389 V CA 1.010 63.139 62.300 -0.286 0.000 1.133 389 V CB -0.359 30.997 31.823 -0.778 0.000 0.857 389 V HN 0.511 nan 8.190 nan 0.000 0.478 390 A N -0.450 122.346 122.820 -0.039 0.000 2.359 390 A HA 0.115 4.435 4.320 0.000 0.000 0.240 390 A C 0.931 178.590 177.584 0.126 0.000 1.306 390 A CA 0.431 52.538 52.037 0.117 0.000 0.898 390 A CB -0.471 18.636 19.000 0.178 0.000 0.956 390 A HN 0.381 nan 8.150 nan 0.000 0.497 391 D N 0.549 121.001 120.400 0.087 0.000 2.738 391 D HA 0.116 4.756 4.640 0.000 0.000 0.246 391 D C 0.464 176.827 176.300 0.104 0.000 1.270 391 D CA 0.025 54.081 54.000 0.094 0.000 0.833 391 D CB -0.479 40.358 40.800 0.061 0.000 1.040 391 D HN 0.470 nan 8.370 nan 0.000 0.487 392 E N -0.258 120.026 120.200 0.141 0.000 2.791 392 E HA -0.218 4.132 4.350 0.000 0.000 0.271 392 E C 0.493 177.166 176.600 0.122 0.000 1.044 392 E CA 0.574 57.059 56.400 0.142 0.000 0.814 392 E CB -1.256 28.508 29.700 0.106 0.000 1.400 392 E HN 0.572 nan 8.360 nan 0.000 0.423 393 G N -1.106 107.758 108.800 0.106 0.000 2.324 393 G HA2 -0.217 3.743 3.960 0.000 0.000 0.292 393 G HA3 -0.217 3.743 3.960 0.000 0.000 0.292 393 G C 0.687 175.618 174.900 0.051 0.000 1.079 393 G CA 0.744 45.892 45.100 0.081 0.000 1.026 393 G HN 0.832 nan 8.290 nan 0.000 0.506 394 A N -0.471 122.373 122.820 0.041 0.000 2.119 394 A HA 0.264 4.584 4.320 0.000 0.000 0.217 394 A C 1.832 179.423 177.584 0.011 0.000 1.153 394 A CA 1.405 53.458 52.037 0.027 0.000 0.692 394 A CB 0.072 19.090 19.000 0.031 0.000 0.799 394 A HN 0.536 nan 8.150 nan 0.000 0.458 395 R N -0.765 119.739 120.500 0.008 0.000 2.989 395 R HA 0.369 4.709 4.340 0.000 0.000 0.340 395 R C -1.126 175.173 176.300 -0.003 0.000 1.205 395 R CA 0.005 56.104 56.100 -0.002 0.000 1.235 395 R CB 1.218 31.516 30.300 -0.003 0.000 1.394 395 R HN 0.147 nan 8.270 nan 0.000 0.598 396 V N 1.650 121.560 119.914 -0.007 0.000 2.487 396 V HA 0.273 4.393 4.120 0.000 0.000 0.298 396 V C 0.225 176.282 176.094 -0.061 0.000 1.028 396 V CA -0.335 61.956 62.300 -0.015 0.000 0.860 396 V CB 1.600 33.427 31.823 0.006 0.000 0.991 396 V HN 0.504 nan 8.190 nan 0.000 0.427 397 E N 5.520 125.662 120.200 -0.097 0.000 2.485 397 E HA 0.126 4.476 4.350 0.000 0.000 0.213 397 E C -0.924 175.356 176.600 -0.532 0.000 0.923 397 E CA 0.112 56.338 56.400 -0.291 0.000 1.054 397 E CB 0.780 30.286 29.700 -0.323 0.000 1.077 397 E HN 0.651 nan 8.360 nan 0.000 0.509 398 Y N 0.550 120.830 120.300 -0.034 0.000 2.386 398 Y HA 0.446 4.996 4.550 0.000 0.000 0.334 398 Y C -0.576 175.286 175.900 -0.063 0.000 1.002 398 Y CA -1.055 57.021 58.100 -0.041 0.000 1.068 398 Y CB 2.497 40.934 38.460 -0.038 0.000 1.203 398 Y HN -0.262 nan 8.280 nan 0.000 0.443 399 V N 5.199 125.160 119.914 0.078 0.000 2.409 399 V HA 0.444 4.564 4.120 0.000 0.000 0.291 399 V C -0.717 175.385 176.094 0.014 0.000 1.020 399 V CA -0.692 61.610 62.300 0.002 0.000 0.848 399 V CB 1.449 33.257 31.823 -0.025 0.000 0.990 399 V HN 0.499 nan 8.190 nan 0.000 0.430 400 L N 4.152 125.365 121.223 -0.018 0.000 2.325 400 L HA 0.637 4.977 4.340 0.000 0.000 0.278 400 L C -0.136 176.713 176.870 -0.035 0.000 1.023 400 L CA 0.223 55.051 54.840 -0.019 0.000 0.811 400 L CB 1.644 43.686 42.059 -0.029 0.000 1.249 400 L HN 0.714 nan 8.230 nan 0.000 0.431 401 Q N 3.175 122.960 119.800 -0.025 0.000 2.269 401 Q HA 0.401 4.741 4.340 0.000 0.000 0.263 401 Q C -0.839 175.147 176.000 -0.024 0.000 0.983 401 Q CA -0.710 55.076 55.803 -0.027 0.000 0.777 401 Q CB 1.163 29.886 28.738 -0.025 0.000 1.273 401 Q HN 0.488 nan 8.270 nan 0.000 0.440 402 R N 2.774 123.261 120.500 -0.022 0.000 3.127 402 R HA -0.329 4.011 4.340 0.000 0.000 0.247 402 R C 0.686 176.976 176.300 -0.016 0.000 0.896 402 R CA 0.761 56.851 56.100 -0.017 0.000 0.624 402 R CB -1.932 28.356 30.300 -0.020 0.000 1.154 402 R HN 1.179 nan 8.270 nan 0.000 0.474 403 G N -0.854 107.936 108.800 -0.017 0.000 4.655 403 G HA2 -0.454 3.506 3.960 0.000 0.000 0.220 403 G HA3 -0.454 3.506 3.960 0.000 0.000 0.220 403 G C 0.309 175.199 174.900 -0.017 0.000 1.403 403 G CA 0.699 45.788 45.100 -0.017 0.000 0.931 403 G HN 0.819 nan 8.290 nan 0.000 0.654 404 T N 2.035 116.580 114.554 -0.014 0.000 2.934 404 T HA 0.391 4.741 4.350 0.000 0.000 0.306 404 T C 0.499 175.196 174.700 -0.004 0.000 1.042 404 T CA 0.394 62.488 62.100 -0.010 0.000 1.145 404 T CB 0.715 69.578 68.868 -0.010 0.000 0.982 404 T HN 1.422 nan 8.240 nan 0.000 0.544 405 L N 6.148 127.376 121.223 0.008 0.000 2.367 405 L HA 0.384 4.724 4.340 0.000 0.000 0.275 405 L C 0.600 177.487 176.870 0.029 0.000 1.129 405 L CA 0.321 55.180 54.840 0.032 0.000 0.839 405 L CB 0.716 42.811 42.059 0.060 0.000 1.133 405 L HN 0.663 nan 8.230 nan 0.000 0.453 406 V N 2.890 122.822 119.914 0.029 0.000 2.721 406 V HA 0.288 4.408 4.120 0.000 0.000 0.236 406 V C 0.697 176.799 176.094 0.014 0.000 1.116 406 V CA 0.383 62.691 62.300 0.014 0.000 1.148 406 V CB -0.269 31.555 31.823 0.003 0.000 0.886 406 V HN 0.638 nan 8.190 nan 0.000 0.490 407 K N 1.454 121.862 120.400 0.014 0.000 2.164 407 K HA 0.586 4.906 4.320 0.000 0.000 0.258 407 K C -0.701 175.871 176.600 -0.047 0.000 0.951 407 K CA -0.433 55.847 56.287 -0.012 0.000 0.844 407 K CB 2.439 34.930 32.500 -0.016 0.000 1.099 407 K HN 0.118 nan 8.250 nan 0.000 0.435 408 R N 2.533 122.979 120.500 -0.090 0.000 2.502 408 R HA 0.222 4.562 4.340 0.000 0.000 0.298 408 R C -1.036 175.160 176.300 -0.173 0.000 1.018 408 R CA -0.338 55.645 56.100 -0.196 0.000 0.899 408 R CB 1.238 31.460 30.300 -0.129 0.000 1.181 408 R HN 0.598 nan 8.270 nan 0.000 0.444 409 Q N 0.000 119.665 119.800 -0.225 0.000 2.315 409 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 409 Q CA 0.000 55.715 55.803 -0.146 0.000 1.022 409 Q CB 0.000 28.677 28.738 -0.101 0.000 1.108 409 Q HN 0.000 nan 8.270 nan 0.000 0.481