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 3ior_1_B DATA FIRST_RESID 1 DATA SEQUENCE KIEEGKLVIW INGDKGYNGL AEVGKKFEKD TGIKVTVEHP DKLEEKFPQV DATA SEQUENCE AATGDGPDII FWAHDRFGGY AQSGLLAEIT PDKAFQDKLY PFTWDAVRYN DATA SEQUENCE GKLIAYPIAV EALSLIYNKD LLPNPPKTWE EIPALDKELK AKGKSALMFN DATA SEQUENCE LQEPYFTWPL IAADGGYAFK YENGKYDIKD VGVDNAGAKA GLTFLVDLIK DATA SEQUENCE NKHMNADTDY SIAEAAFNKG ETAMTINGPW AWSNIDTSKV NYGVTVLPTF DATA SEQUENCE KGQPSKPFVG VLSAGINAAS PNKELAKEFL ENYLLTDEGL EAVNKDKPLG DATA SEQUENCE AVALKSYEEE LAKDPRIAAT MENAQKGEIM PNIPQMSAFW YAVRTAVINA DATA SEQUENCE ASGRQTVDAA LAAAQTNAAA MATLEKLMKA FESLKSFQQX XXXXXXXQQQ DATA SEQUENCE QQQQPPPPPP PPPPPQLPQP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 K HA 0.000 nan 4.320 nan 0.000 0.191 1 K C 0.000 176.553 176.600 -0.078 0.000 0.988 1 K CA 0.000 56.251 56.287 -0.060 0.000 0.838 1 K CB 0.000 32.474 32.500 -0.043 0.000 1.064 2 I N -1.581 118.940 120.570 -0.081 0.000 3.518 2 I HA 0.829 4.999 4.170 -0.000 0.000 0.260 2 I C 1.290 177.363 176.117 -0.073 0.000 1.148 2 I CA 2.827 64.067 61.300 -0.100 0.000 1.440 2 I CB -0.216 37.709 38.000 -0.126 0.000 1.485 2 I HN 1.729 nan 8.210 nan 0.000 0.456 3 E N -1.039 119.127 120.200 -0.057 0.000 2.879 3 E HA 0.554 4.904 4.350 -0.000 0.000 0.286 3 E C 0.899 177.483 176.600 -0.027 0.000 1.111 3 E CA 1.350 57.727 56.400 -0.039 0.000 2.053 3 E CB -0.526 29.147 29.700 -0.045 0.000 2.152 3 E HN 2.486 nan 8.360 nan 0.000 1.073 4 E N -1.220 118.965 120.200 -0.025 0.000 7.468 4 E HA 0.442 4.792 4.350 -0.000 0.000 0.282 4 E C 1.520 178.119 176.600 -0.002 0.000 0.816 4 E CA 1.227 57.619 56.400 -0.013 0.000 1.479 4 E CB -2.561 27.130 29.700 -0.014 0.000 0.915 4 E HN 2.518 nan 8.360 nan 0.000 0.264 5 G N 0.578 109.384 108.800 0.009 0.000 2.148 5 G HA2 0.076 4.036 3.960 -0.000 0.000 0.254 5 G HA3 0.076 4.036 3.960 -0.000 0.000 0.254 5 G C 0.300 175.217 174.900 0.029 0.000 0.981 5 G CA 1.417 46.529 45.100 0.020 0.000 0.670 5 G HN 2.338 nan 8.290 nan 0.000 0.528 6 K N -1.240 119.173 120.400 0.021 0.000 2.575 6 K HA 0.792 5.112 4.320 -0.000 0.000 0.279 6 K C -0.921 175.668 176.600 -0.018 0.000 0.969 6 K CA -1.190 55.109 56.287 0.020 0.000 0.868 6 K CB 1.036 33.544 32.500 0.013 0.000 1.457 6 K HN 0.184 nan 8.250 nan 0.000 0.426 7 L N 2.027 123.218 121.223 -0.053 0.000 2.307 7 L HA 0.676 5.016 4.340 -0.000 0.000 0.284 7 L C -0.930 175.871 176.870 -0.115 0.000 1.023 7 L CA -1.461 53.297 54.840 -0.136 0.000 0.810 7 L CB 1.940 43.812 42.059 -0.311 0.000 1.231 7 L HN 0.585 nan 8.230 nan 0.000 0.423 8 V N 5.785 125.642 119.914 -0.095 0.000 2.444 8 V HA 0.554 4.674 4.120 -0.000 0.000 0.294 8 V C -0.360 175.721 176.094 -0.022 0.000 1.022 8 V CA -0.236 62.043 62.300 -0.035 0.000 0.850 8 V CB 1.674 33.494 31.823 -0.005 0.000 0.992 8 V HN 0.571 nan 8.190 nan 0.000 0.426 9 I N 6.192 126.816 120.570 0.089 0.000 2.648 9 I HA 0.548 4.717 4.170 -0.000 0.000 0.304 9 I C -1.092 175.339 176.117 0.523 0.000 1.009 9 I CA -0.563 60.858 61.300 0.202 0.000 1.114 9 I CB 2.126 40.221 38.000 0.159 0.000 1.293 9 I HN 0.545 nan 8.210 nan 0.000 0.449 10 W N 6.058 127.481 121.300 0.205 0.000 2.702 10 W HA 0.739 5.399 4.660 0.000 0.000 0.331 10 W C -0.623 176.087 176.519 0.320 0.000 1.049 10 W CA -0.947 56.525 57.345 0.213 0.000 1.230 10 W CB 1.454 31.017 29.460 0.172 0.000 1.408 10 W HN 0.163 nan 8.180 nan 0.000 0.492 11 I N 2.908 123.723 120.570 0.408 0.000 2.842 11 I HA 0.250 4.419 4.170 -0.000 0.000 0.297 11 I C -0.710 175.536 176.117 0.215 0.000 1.380 11 I CA -0.800 60.696 61.300 0.327 0.000 1.018 11 I CB 1.750 39.815 38.000 0.108 0.000 1.311 11 I HN 0.255 nan 8.210 nan 0.000 0.439 12 N N 3.759 122.604 118.700 0.242 0.000 2.468 12 N HA 0.185 4.925 4.740 -0.000 0.000 0.265 12 N C 1.112 176.648 175.510 0.043 0.000 1.199 12 N CA 1.205 54.357 53.050 0.170 0.000 0.928 12 N CB 1.580 40.137 38.487 0.117 0.000 1.059 12 N HN 0.761 nan 8.380 nan 0.000 0.467 13 G N 2.528 111.325 108.800 -0.005 0.000 2.499 13 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.221 13 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.221 13 G C 1.039 175.940 174.900 0.003 0.000 1.109 13 G CA 1.089 46.117 45.100 -0.121 0.000 0.749 13 G HN 0.835 nan 8.290 nan 0.000 0.568 14 D N 0.267 120.676 120.400 0.014 0.000 2.264 14 D HA -0.043 4.597 4.640 -0.000 0.000 0.208 14 D C 1.148 177.463 176.300 0.025 0.000 0.966 14 D CA 0.604 54.614 54.000 0.017 0.000 0.864 14 D CB -0.009 40.778 40.800 -0.021 0.000 0.933 14 D HN 0.099 nan 8.370 nan 0.000 0.499 15 K N 0.223 120.641 120.400 0.029 0.000 2.440 15 K HA 0.388 4.708 4.320 -0.000 0.000 0.252 15 K C 1.145 177.766 176.600 0.035 0.000 1.044 15 K CA -0.136 56.159 56.287 0.014 0.000 0.962 15 K CB -0.103 32.391 32.500 -0.009 0.000 1.269 15 K HN 0.073 nan 8.250 nan 0.000 0.505 16 G N 1.474 110.262 108.800 -0.019 0.000 3.455 16 G HA2 0.043 4.003 3.960 -0.000 0.000 0.250 16 G HA3 0.043 4.003 3.960 -0.000 0.000 0.250 16 G C 0.887 175.719 174.900 -0.114 0.000 1.071 16 G CA -0.146 44.908 45.100 -0.076 0.000 1.812 16 G HN 0.615 nan 8.290 nan 0.000 0.643 17 Y N -0.537 119.670 120.300 -0.155 0.000 2.274 17 Y HA -0.163 4.387 4.550 -0.000 0.000 0.290 17 Y C 2.036 177.860 175.900 -0.126 0.000 1.145 17 Y CA 1.494 59.487 58.100 -0.179 0.000 1.203 17 Y CB -0.477 37.798 38.460 -0.308 0.000 0.984 17 Y HN 0.340 nan 8.280 nan 0.000 0.533 18 N N 0.654 118.824 118.700 -0.885 0.000 2.106 18 N HA -0.089 4.651 4.740 -0.000 0.000 0.188 18 N C 2.198 177.568 175.510 -0.233 0.000 1.029 18 N CA 1.199 53.901 53.050 -0.581 0.000 0.848 18 N CB -0.574 37.556 38.487 -0.596 0.000 1.007 18 N HN 0.556 nan 8.380 nan 0.000 0.423 19 G N 0.992 109.679 108.800 -0.189 0.000 2.432 19 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.219 19 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.219 19 G C 1.446 176.323 174.900 -0.038 0.000 1.135 19 G CA 0.399 45.447 45.100 -0.087 0.000 0.767 19 G HN 0.150 nan 8.290 nan 0.000 0.550 20 L N 1.233 122.430 121.223 -0.044 0.000 2.072 20 L HA 0.272 4.612 4.340 -0.000 0.000 0.205 20 L C 3.024 179.948 176.870 0.090 0.000 1.079 20 L CA 2.022 56.872 54.840 0.016 0.000 0.752 20 L CB -0.748 41.277 42.059 -0.057 0.000 0.906 20 L HN 0.196 nan 8.230 nan 0.000 0.436 21 A N -0.575 122.280 122.820 0.058 0.000 1.940 21 A HA -0.256 4.064 4.320 -0.000 0.000 0.219 21 A C 2.122 179.762 177.584 0.094 0.000 1.176 21 A CA 1.973 54.061 52.037 0.086 0.000 0.631 21 A CB -0.686 18.362 19.000 0.080 0.000 0.814 21 A HN 0.645 nan 8.150 nan 0.000 0.446 22 E N -0.402 119.836 120.200 0.063 0.000 2.204 22 E HA -0.082 4.268 4.350 -0.000 0.000 0.194 22 E C 1.809 178.474 176.600 0.108 0.000 0.989 22 E CA 1.076 57.516 56.400 0.067 0.000 0.824 22 E CB -0.180 29.538 29.700 0.030 0.000 0.756 22 E HN 0.486 nan 8.360 nan 0.000 0.477 23 V N 0.425 120.421 119.914 0.136 0.000 2.453 23 V HA -0.099 4.020 4.120 -0.000 0.000 0.247 23 V C 2.342 178.633 176.094 0.330 0.000 1.048 23 V CA 1.708 64.118 62.300 0.183 0.000 1.049 23 V CB -0.833 31.058 31.823 0.114 0.000 0.672 23 V HN 0.376 nan 8.190 nan 0.000 0.457 24 G N 0.064 109.085 108.800 0.368 0.000 2.448 24 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.219 24 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.219 24 G C 1.593 176.644 174.900 0.252 0.000 1.127 24 G CA 1.125 46.415 45.100 0.316 0.000 0.766 24 G HN 0.439 nan 8.290 nan 0.000 0.552 25 K N 1.042 121.551 120.400 0.182 0.000 1.991 25 K HA 0.030 4.350 4.320 -0.000 0.000 0.207 25 K C 2.353 179.035 176.600 0.137 0.000 1.045 25 K CA 1.481 57.848 56.287 0.135 0.000 0.937 25 K CB -0.514 32.042 32.500 0.093 0.000 0.720 25 K HN 0.212 nan 8.250 nan 0.000 0.438 26 K N -0.763 119.726 120.400 0.149 0.000 2.144 26 K HA -0.226 4.094 4.320 -0.000 0.000 0.209 26 K C 2.084 178.768 176.600 0.140 0.000 1.047 26 K CA 1.851 58.232 56.287 0.157 0.000 0.927 26 K CB -0.388 32.232 32.500 0.200 0.000 0.716 26 K HN 0.218 nan 8.250 nan 0.000 0.454 27 F N 1.451 121.359 119.950 -0.070 0.000 2.163 27 F HA -0.089 4.438 4.527 -0.000 0.000 0.297 27 F C 2.290 177.998 175.800 -0.154 0.000 1.094 27 F CA 1.806 59.607 58.000 -0.331 0.000 1.290 27 F CB -0.152 38.690 39.000 -0.263 0.000 1.017 27 F HN 0.169 nan 8.300 nan 0.000 0.483 28 E N 0.460 120.718 120.200 0.097 0.000 2.110 28 E HA -0.268 4.082 4.350 -0.000 0.000 0.193 28 E C 2.221 178.780 176.600 -0.068 0.000 0.988 28 E CA 1.257 57.661 56.400 0.008 0.000 0.804 28 E CB -0.294 29.454 29.700 0.079 0.000 0.745 28 E HN 0.302 nan 8.360 nan 0.000 0.458 29 K N 0.019 120.403 120.400 -0.028 0.000 2.366 29 K HA -0.123 4.196 4.320 -0.000 0.000 0.198 29 K C 0.602 177.177 176.600 -0.043 0.000 1.044 29 K CA 1.357 57.633 56.287 -0.019 0.000 0.973 29 K CB 0.197 32.709 32.500 0.021 0.000 0.767 29 K HN 0.114 nan 8.250 nan 0.000 0.475 30 D N -0.702 119.640 120.400 -0.096 0.000 2.262 30 D HA -0.057 4.583 4.640 -0.000 0.000 0.212 30 D C 1.550 177.749 176.300 -0.168 0.000 0.964 30 D CA 1.378 55.336 54.000 -0.070 0.000 0.875 30 D CB 0.510 41.374 40.800 0.107 0.000 0.996 30 D HN 0.362 nan 8.370 nan 0.000 0.497 31 T N -3.716 110.612 114.554 -0.377 0.000 3.010 31 T HA 0.343 4.693 4.350 -0.000 0.000 0.257 31 T C 1.488 176.047 174.700 -0.234 0.000 1.020 31 T CA 0.516 62.399 62.100 -0.363 0.000 0.938 31 T CB 0.641 69.124 68.868 -0.641 0.000 1.049 31 T HN 0.128 nan 8.240 nan 0.000 0.522 32 G N 1.950 110.636 108.800 -0.190 0.000 2.198 32 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.257 32 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.257 32 G C -0.201 174.663 174.900 -0.060 0.000 1.042 32 G CA 0.166 45.211 45.100 -0.092 0.000 0.791 32 G HN 0.579 nan 8.290 nan 0.000 0.502 33 I N 0.005 120.536 120.570 -0.065 0.000 2.498 33 I HA 0.323 4.493 4.170 -0.000 0.000 0.290 33 I C 0.329 176.552 176.117 0.177 0.000 1.032 33 I CA -1.216 60.129 61.300 0.075 0.000 1.073 33 I CB 1.808 39.908 38.000 0.167 0.000 1.251 33 I HN 0.053 nan 8.210 nan 0.000 0.426 34 K N 5.167 125.634 120.400 0.112 0.000 2.316 34 K HA 0.434 4.754 4.320 -0.000 0.000 0.289 34 K C -0.652 175.979 176.600 0.051 0.000 1.070 34 K CA -0.457 55.880 56.287 0.082 0.000 0.928 34 K CB 1.300 33.828 32.500 0.047 0.000 1.039 34 K HN 0.258 nan 8.250 nan 0.000 0.480 35 V N 3.590 123.527 119.914 0.039 0.000 2.350 35 V HA 0.138 4.258 4.120 -0.000 0.000 0.276 35 V C -0.117 175.967 176.094 -0.016 0.000 1.028 35 V CA -0.571 61.686 62.300 -0.073 0.000 0.860 35 V CB 1.340 33.054 31.823 -0.181 0.000 0.990 35 V HN 0.723 nan 8.190 nan 0.000 0.453 36 T N 4.849 119.397 114.554 -0.009 0.000 2.772 36 T HA 0.495 4.845 4.350 -0.000 0.000 0.288 36 T C -0.163 174.591 174.700 0.089 0.000 0.994 36 T CA -0.350 61.781 62.100 0.051 0.000 0.951 36 T CB 1.421 70.325 68.868 0.059 0.000 0.933 36 T HN 0.304 nan 8.240 nan 0.000 0.447 37 V N 4.130 124.124 119.914 0.134 0.000 2.481 37 V HA 0.416 4.536 4.120 -0.000 0.000 0.286 37 V C 0.252 176.497 176.094 0.252 0.000 1.042 37 V CA -0.590 61.831 62.300 0.202 0.000 0.928 37 V CB 1.396 33.341 31.823 0.204 0.000 0.986 37 V HN 0.832 nan 8.190 nan 0.000 0.462 38 E N 2.448 122.807 120.200 0.264 0.000 2.312 38 E HA 0.563 4.913 4.350 -0.000 0.000 0.267 38 E C -1.352 175.234 176.600 -0.024 0.000 0.894 38 E CA -0.768 55.661 56.400 0.050 0.000 0.773 38 E CB 2.179 31.863 29.700 -0.027 0.000 1.241 38 E HN 0.963 nan 8.360 nan 0.000 0.432 39 H N -0.057 118.803 119.070 -0.349 0.000 2.429 39 H HA 0.322 4.877 4.556 -0.000 0.000 0.231 39 H C -2.535 172.574 175.328 -0.364 0.000 1.416 39 H CA -1.886 53.939 56.048 -0.371 0.000 1.443 39 H CB -0.116 29.354 29.762 -0.488 0.000 1.591 39 H HN 0.208 nan 8.280 nan 0.000 0.507 40 P HA 0.188 nan 4.420 nan 0.000 0.279 40 P C -0.471 176.675 177.300 -0.256 0.000 1.276 40 P CA -0.595 62.251 63.100 -0.424 0.000 0.801 40 P CB 1.411 32.707 31.700 -0.673 0.000 1.127 41 D N -0.100 120.188 120.400 -0.187 0.000 2.264 41 D HA 0.136 4.776 4.640 -0.000 0.000 0.249 41 D C 0.070 176.315 176.300 -0.090 0.000 1.070 41 D CA -0.290 53.650 54.000 -0.100 0.000 0.912 41 D CB 0.230 40.986 40.800 -0.073 0.000 1.193 41 D HN 0.214 nan 8.370 nan 0.000 0.427 42 K N 1.161 121.536 120.400 -0.042 0.000 3.078 42 K HA -0.210 4.110 4.320 -0.000 0.000 0.261 42 K C 0.909 177.466 176.600 -0.072 0.000 0.947 42 K CA 0.140 56.400 56.287 -0.043 0.000 0.702 42 K CB -1.520 30.962 32.500 -0.029 0.000 1.318 42 K HN 0.480 nan 8.250 nan 0.000 0.473 43 L N -0.299 120.859 121.223 -0.107 0.000 2.046 43 L HA -0.155 4.184 4.340 -0.000 0.000 0.208 43 L C 2.303 179.170 176.870 -0.006 0.000 1.077 43 L CA 2.009 56.797 54.840 -0.087 0.000 0.747 43 L CB -0.646 41.317 42.059 -0.159 0.000 0.896 43 L HN 0.265 nan 8.230 nan 0.000 0.432 44 E N 0.149 120.161 120.200 -0.314 0.000 2.396 44 E HA -0.248 4.102 4.350 -0.000 0.000 0.200 44 E C 1.408 177.961 176.600 -0.079 0.000 1.023 44 E CA 1.383 57.530 56.400 -0.422 0.000 0.857 44 E CB -0.347 28.628 29.700 -1.209 0.000 0.775 44 E HN 0.693 nan 8.360 nan 0.000 0.525 45 E N 1.056 121.233 120.200 -0.038 0.000 2.162 45 E HA 0.078 4.427 4.350 -0.000 0.000 0.193 45 E C 1.945 178.593 176.600 0.079 0.000 0.953 45 E CA 0.539 56.954 56.400 0.025 0.000 0.849 45 E CB -0.008 29.691 29.700 -0.003 0.000 0.810 45 E HN 0.335 nan 8.360 nan 0.000 0.470 46 K N 0.295 120.757 120.400 0.103 0.000 2.062 46 K HA -0.069 4.251 4.320 -0.000 0.000 0.205 46 K C 2.149 178.870 176.600 0.202 0.000 1.051 46 K CA 0.686 57.061 56.287 0.147 0.000 0.941 46 K CB -0.343 32.258 32.500 0.169 0.000 0.719 46 K HN 0.021 nan 8.250 nan 0.000 0.440 47 F N 3.730 123.766 119.950 0.143 0.000 2.027 47 F HA -0.215 4.312 4.527 -0.000 0.000 0.297 47 F C -0.991 174.725 175.800 -0.140 0.000 1.129 47 F CA 1.820 59.810 58.000 -0.017 0.000 1.195 47 F CB -1.120 37.783 39.000 -0.161 0.000 0.960 47 F HN -0.009 nan 8.300 nan 0.000 0.485 48 P HA -0.192 nan 4.420 nan 0.000 0.219 48 P C 1.190 178.415 177.300 -0.126 0.000 1.146 48 P CA 1.668 64.737 63.100 -0.051 0.000 0.808 48 P CB -0.137 31.684 31.700 0.201 0.000 0.779 49 Q N 0.043 119.794 119.800 -0.083 0.000 1.990 49 Q HA -0.110 4.230 4.340 -0.000 0.000 0.200 49 Q C 2.309 178.224 176.000 -0.143 0.000 0.980 49 Q CA 2.135 57.890 55.803 -0.080 0.000 0.832 49 Q CB -0.989 27.731 28.738 -0.030 0.000 0.897 49 Q HN 0.188 nan 8.270 nan 0.000 0.427 50 V N -2.084 117.721 119.914 -0.182 0.000 2.407 50 V HA 0.012 4.132 4.120 -0.000 0.000 0.245 50 V C 2.121 178.011 176.094 -0.339 0.000 1.041 50 V CA 1.331 63.503 62.300 -0.213 0.000 1.040 50 V CB -1.498 30.226 31.823 -0.165 0.000 0.671 50 V HN 0.310 nan 8.190 nan 0.000 0.455 51 A N 0.855 123.325 122.820 -0.582 0.000 2.084 51 A HA -0.040 4.279 4.320 -0.000 0.000 0.221 51 A C 2.281 179.622 177.584 -0.403 0.000 1.161 51 A CA 2.335 53.956 52.037 -0.693 0.000 0.653 51 A CB -0.811 17.390 19.000 -1.331 0.000 0.802 51 A HN 0.968 nan 8.150 nan 0.000 0.457 52 A N -1.004 121.634 122.820 -0.303 0.000 2.178 52 A HA 0.168 4.488 4.320 -0.000 0.000 0.211 52 A C 1.955 179.454 177.584 -0.141 0.000 1.157 52 A CA 1.563 53.489 52.037 -0.186 0.000 0.780 52 A CB -0.551 18.367 19.000 -0.137 0.000 0.828 52 A HN 0.641 nan 8.150 nan 0.000 0.476 53 T N -4.723 109.741 114.554 -0.150 0.000 3.069 53 T HA 0.434 4.784 4.350 -0.000 0.000 0.252 53 T C 1.182 175.811 174.700 -0.119 0.000 1.053 53 T CA 0.871 62.904 62.100 -0.113 0.000 0.964 53 T CB 0.407 69.218 68.868 -0.095 0.000 1.005 53 T HN 1.467 nan 8.240 nan 0.000 0.532 54 G N 0.998 109.705 108.800 -0.156 0.000 2.135 54 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.183 54 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.183 54 G C -0.525 174.270 174.900 -0.175 0.000 1.004 54 G CA -0.088 44.920 45.100 -0.153 0.000 0.677 54 G HN 0.577 nan 8.290 nan 0.000 0.512 55 D N -0.885 119.382 120.400 -0.222 0.000 2.658 55 D HA 0.734 5.374 4.640 -0.000 0.000 0.243 55 D C 1.157 177.255 176.300 -0.336 0.000 1.159 55 D CA 0.784 54.650 54.000 -0.222 0.000 1.084 55 D CB 0.233 40.936 40.800 -0.162 0.000 1.227 55 D HN 1.295 nan 8.370 nan 0.000 0.636 56 G N -0.078 108.518 108.800 -0.341 0.000 2.698 56 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.233 56 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.233 56 G C -2.516 172.018 174.900 -0.609 0.000 1.352 56 G CA -0.609 44.137 45.100 -0.589 0.000 0.879 56 G HN 0.479 nan 8.290 nan 0.000 0.567 57 P HA 0.283 nan 4.420 nan 0.000 0.274 57 P C 0.053 177.155 177.300 -0.330 0.000 1.237 57 P CA -0.075 62.609 63.100 -0.694 0.000 0.793 57 P CB 0.831 31.916 31.700 -1.025 0.000 0.977 58 D N 0.535 120.810 120.400 -0.209 0.000 2.137 58 D HA 0.058 4.697 4.640 -0.000 0.000 0.202 58 D C 0.905 177.153 176.300 -0.087 0.000 0.970 58 D CA 1.335 55.257 54.000 -0.130 0.000 0.837 58 D CB 0.269 41.003 40.800 -0.111 0.000 0.981 58 D HN 0.365 nan 8.370 nan 0.000 0.475 59 I N 0.433 120.963 120.570 -0.067 0.000 2.693 59 I HA 0.406 4.576 4.170 -0.000 0.000 0.303 59 I C -0.482 175.650 176.117 0.026 0.000 1.025 59 I CA -0.957 60.333 61.300 -0.017 0.000 1.086 59 I CB 3.061 41.082 38.000 0.036 0.000 1.268 59 I HN -0.222 nan 8.210 nan 0.000 0.440 60 I N 3.448 124.000 120.570 -0.031 0.000 2.569 60 I HA 0.430 4.600 4.170 -0.000 0.000 0.290 60 I C -1.754 174.450 176.117 0.146 0.000 1.088 60 I CA -0.309 61.030 61.300 0.064 0.000 1.047 60 I CB 1.699 39.507 38.000 -0.321 0.000 1.237 60 I HN 0.309 nan 8.210 nan 0.000 0.421 61 F N 7.958 128.120 119.950 0.353 0.000 2.388 61 F HA 0.548 5.075 4.527 -0.000 0.000 0.358 61 F C -0.582 175.517 175.800 0.498 0.000 1.122 61 F CA -0.121 58.109 58.000 0.384 0.000 1.056 61 F CB 1.169 40.334 39.000 0.276 0.000 1.155 61 F HN 0.403 nan 8.300 nan 0.000 0.461 62 W N 2.318 123.785 121.300 0.278 0.000 3.153 62 W HA 0.607 5.267 4.660 -0.000 0.000 0.316 62 W C -1.160 175.253 176.519 -0.176 0.000 1.255 62 W CA -1.381 56.034 57.345 0.117 0.000 1.192 62 W CB 1.609 31.235 29.460 0.276 0.000 1.400 62 W HN 0.587 nan 8.180 nan 0.000 0.568 63 A N 1.693 124.246 122.820 -0.445 0.000 2.586 63 A HA -0.064 4.255 4.320 -0.000 0.000 0.231 63 A C 0.974 178.381 177.584 -0.296 0.000 1.055 63 A CA 1.493 53.352 52.037 -0.297 0.000 0.756 63 A CB -0.129 18.665 19.000 -0.344 0.000 0.988 63 A HN 0.825 nan 8.150 nan 0.000 0.509 64 H N 0.237 119.134 119.070 -0.288 0.000 2.428 64 H HA -0.064 4.491 4.556 -0.000 0.000 0.296 64 H C 1.042 176.261 175.328 -0.182 0.000 1.062 64 H CA 1.555 57.370 56.048 -0.389 0.000 1.350 64 H CB -0.297 29.358 29.762 -0.179 0.000 1.403 64 H HN 0.756 nan 8.280 nan 0.000 0.533 65 D N 0.020 120.003 120.400 -0.695 0.000 2.224 65 D HA -0.135 4.505 4.640 -0.000 0.000 0.205 65 D C 2.056 178.270 176.300 -0.144 0.000 0.965 65 D CA 0.418 54.204 54.000 -0.356 0.000 0.852 65 D CB -0.116 40.426 40.800 -0.430 0.000 0.947 65 D HN 0.127 nan 8.370 nan 0.000 0.494 66 R N -0.531 119.911 120.500 -0.097 0.000 2.241 66 R HA 0.004 4.344 4.340 -0.000 0.000 0.224 66 R C 1.138 177.251 176.300 -0.312 0.000 1.101 66 R CA 0.651 56.658 56.100 -0.154 0.000 0.995 66 R CB -0.713 29.581 30.300 -0.009 0.000 0.870 66 R HN 0.195 nan 8.270 nan 0.000 0.463 67 F N -1.059 118.729 119.950 -0.270 0.000 2.367 67 F HA 0.227 4.754 4.527 -0.000 0.000 0.298 67 F C 2.279 177.942 175.800 -0.228 0.000 1.094 67 F CA 0.804 58.723 58.000 -0.134 0.000 1.409 67 F CB -1.136 37.918 39.000 0.089 0.000 1.064 67 F HN 0.163 nan 8.300 nan 0.000 0.528 68 G N 0.222 108.993 108.800 -0.049 0.000 2.513 68 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.219 68 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.219 68 G C 2.083 176.719 174.900 -0.440 0.000 1.160 68 G CA 1.064 46.008 45.100 -0.261 0.000 0.767 68 G HN 0.489 nan 8.290 nan 0.000 0.571 69 G N -0.693 107.929 108.800 -0.297 0.000 2.422 69 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.218 69 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.218 69 G C 1.583 176.398 174.900 -0.141 0.000 1.140 69 G CA 0.956 45.915 45.100 -0.234 0.000 0.775 69 G HN 0.398 nan 8.290 nan 0.000 0.545 70 Y N 1.204 121.437 120.300 -0.111 0.000 2.109 70 Y HA 0.114 4.664 4.550 -0.000 0.000 0.285 70 Y C 3.142 178.957 175.900 -0.141 0.000 1.131 70 Y CA 0.186 58.231 58.100 -0.092 0.000 1.121 70 Y CB -1.194 37.169 38.460 -0.161 0.000 0.987 70 Y HN 0.228 nan 8.280 nan 0.000 0.495 71 A N -0.037 122.748 122.820 -0.058 0.000 1.978 71 A HA -0.285 4.034 4.320 -0.000 0.000 0.220 71 A C 2.286 179.756 177.584 -0.190 0.000 1.170 71 A CA 1.947 53.891 52.037 -0.155 0.000 0.636 71 A CB -0.875 17.974 19.000 -0.252 0.000 0.810 71 A HN 0.587 nan 8.150 nan 0.000 0.448 72 Q N -0.108 119.476 119.800 -0.359 0.000 2.050 72 Q HA -0.144 4.196 4.340 -0.000 0.000 0.202 72 Q C 1.846 177.870 176.000 0.041 0.000 0.980 72 Q CA 1.864 57.629 55.803 -0.063 0.000 0.840 72 Q CB -0.178 28.539 28.738 -0.035 0.000 0.898 72 Q HN 0.579 nan 8.270 nan 0.000 0.424 73 S N -0.616 115.096 115.700 0.020 0.000 2.595 73 S HA 0.068 4.538 4.470 -0.000 0.000 0.235 73 S C 0.957 175.571 174.600 0.024 0.000 0.974 73 S CA 0.688 58.908 58.200 0.033 0.000 0.942 73 S CB 0.033 63.261 63.200 0.045 0.000 0.766 73 S HN 0.715 nan 8.310 nan 0.000 0.536 74 G N 1.035 109.852 108.800 0.029 0.000 2.182 74 G HA2 -0.229 3.730 3.960 -0.000 0.000 0.248 74 G HA3 -0.229 3.730 3.960 -0.000 0.000 0.248 74 G C 0.442 175.340 174.900 -0.003 0.000 1.042 74 G CA 0.269 45.383 45.100 0.023 0.000 0.775 74 G HN 0.513 nan 8.290 nan 0.000 0.501 75 L N -1.020 120.204 121.223 0.002 0.000 2.477 75 L HA 0.369 4.709 4.340 -0.000 0.000 0.220 75 L C 1.380 178.236 176.870 -0.023 0.000 1.106 75 L CA 0.370 55.193 54.840 -0.029 0.000 0.851 75 L CB 0.006 42.064 42.059 -0.003 0.000 0.994 75 L HN 0.235 nan 8.230 nan 0.000 0.462 76 L N 0.248 121.461 121.223 -0.017 0.000 2.309 76 L HA 0.548 4.888 4.340 -0.000 0.000 0.282 76 L C 0.254 177.117 176.870 -0.011 0.000 1.036 76 L CA -0.637 54.180 54.840 -0.038 0.000 0.806 76 L CB 1.521 43.531 42.059 -0.081 0.000 1.220 76 L HN -0.090 nan 8.230 nan 0.000 0.429 77 A N 2.514 125.328 122.820 -0.012 0.000 2.401 77 A HA 0.168 4.488 4.320 -0.000 0.000 0.259 77 A C 0.175 177.767 177.584 0.013 0.000 1.103 77 A CA -0.306 51.732 52.037 0.003 0.000 0.789 77 A CB 0.309 19.311 19.000 0.003 0.000 1.035 77 A HN 0.802 nan 8.150 nan 0.000 0.491 78 E N 2.090 122.301 120.200 0.019 0.000 2.376 78 E HA 0.272 4.622 4.350 -0.000 0.000 0.266 78 E C -0.152 176.449 176.600 0.003 0.000 1.009 78 E CA -0.180 56.231 56.400 0.019 0.000 0.902 78 E CB 0.287 30.001 29.700 0.024 0.000 0.972 78 E HN 0.582 nan 8.360 nan 0.000 0.439 79 I N 1.280 121.833 120.570 -0.028 0.000 2.797 79 I HA 0.394 4.564 4.170 -0.000 0.000 0.310 79 I C 0.186 176.277 176.117 -0.044 0.000 0.990 79 I CA -0.629 60.638 61.300 -0.056 0.000 1.228 79 I CB 1.837 39.692 38.000 -0.242 0.000 1.406 79 I HN 0.401 nan 8.210 nan 0.000 0.534 80 T N 0.156 114.710 114.554 -0.001 0.000 3.624 80 T HA 0.469 4.818 4.350 -0.000 0.000 0.244 80 T C -2.385 172.325 174.700 0.017 0.000 1.063 80 T CA -1.010 61.093 62.100 0.005 0.000 1.252 80 T CB -0.498 68.382 68.868 0.020 0.000 1.021 80 T HN 0.575 nan 8.240 nan 0.000 0.590 81 P HA 0.399 nan 4.420 nan 0.000 0.281 81 P C -0.439 176.880 177.300 0.033 0.000 1.249 81 P CA -0.329 62.805 63.100 0.057 0.000 0.810 81 P CB 0.875 32.705 31.700 0.217 0.000 1.008 82 D N 0.220 120.659 120.400 0.066 0.000 2.368 82 D HA -0.001 4.639 4.640 -0.000 0.000 0.240 82 D C 1.213 177.551 176.300 0.064 0.000 1.169 82 D CA -0.424 53.609 54.000 0.055 0.000 0.906 82 D CB 0.841 41.679 40.800 0.063 0.000 1.187 82 D HN 0.294 nan 8.370 nan 0.000 0.435 83 K N 0.981 121.390 120.400 0.015 0.000 2.063 83 K HA -0.253 4.067 4.320 -0.000 0.000 0.208 83 K C 1.867 178.489 176.600 0.036 0.000 1.048 83 K CA 1.315 57.596 56.287 -0.010 0.000 0.928 83 K CB -0.550 31.938 32.500 -0.020 0.000 0.713 83 K HN 0.561 nan 8.250 nan 0.000 0.442 84 A N 0.666 123.526 122.820 0.066 0.000 1.986 84 A HA -0.197 4.123 4.320 -0.000 0.000 0.220 84 A C 1.975 179.639 177.584 0.134 0.000 1.171 84 A CA 1.528 53.615 52.037 0.083 0.000 0.640 84 A CB -0.718 18.331 19.000 0.082 0.000 0.811 84 A HN 0.567 nan 8.150 nan 0.000 0.451 85 F N 0.245 120.223 119.950 0.047 0.000 2.219 85 F HA -0.081 4.446 4.527 -0.000 0.000 0.294 85 F C 2.466 178.372 175.800 0.176 0.000 1.086 85 F CA 1.650 59.709 58.000 0.099 0.000 1.330 85 F CB -0.205 38.867 39.000 0.120 0.000 1.047 85 F HN 0.269 nan 8.300 nan 0.000 0.495 86 Q N -0.003 119.872 119.800 0.125 0.000 2.226 86 Q HA -0.197 4.143 4.340 -0.000 0.000 0.204 86 Q C 1.306 177.436 176.000 0.217 0.000 0.975 86 Q CA 1.355 57.269 55.803 0.184 0.000 0.866 86 Q CB -0.311 28.230 28.738 -0.329 0.000 0.915 86 Q HN 0.420 nan 8.270 nan 0.000 0.440 87 D N 0.960 121.389 120.400 0.048 0.000 2.351 87 D HA -0.109 4.531 4.640 -0.000 0.000 0.216 87 D C 1.130 177.396 176.300 -0.056 0.000 0.968 87 D CA 0.962 54.974 54.000 0.021 0.000 0.899 87 D CB 0.078 40.883 40.800 0.007 0.000 0.907 87 D HN 0.336 nan 8.370 nan 0.000 0.514 88 K N -0.165 120.145 120.400 -0.151 0.000 2.418 88 K HA 0.120 4.440 4.320 -0.000 0.000 0.195 88 K C 0.790 177.211 176.600 -0.298 0.000 1.035 88 K CA 0.271 56.417 56.287 -0.235 0.000 1.003 88 K CB 0.775 33.084 32.500 -0.317 0.000 0.793 88 K HN 0.114 nan 8.250 nan 0.000 0.494 89 L N 0.815 121.884 121.223 -0.258 0.000 2.334 89 L HA 0.337 4.676 4.340 -0.000 0.000 0.273 89 L C -0.235 176.423 176.870 -0.353 0.000 1.013 89 L CA -1.364 53.249 54.840 -0.378 0.000 0.816 89 L CB 0.714 42.478 42.059 -0.492 0.000 1.278 89 L HN -0.031 nan 8.230 nan 0.000 0.431 90 Y N 2.159 122.311 120.300 -0.246 0.000 2.804 90 Y HA -0.044 4.506 4.550 -0.000 0.000 0.338 90 Y C -1.362 174.343 175.900 -0.325 0.000 1.252 90 Y CA -1.005 56.958 58.100 -0.228 0.000 1.576 90 Y CB 0.017 38.299 38.460 -0.297 0.000 1.223 90 Y HN 0.462 nan 8.280 nan 0.000 0.536 91 P HA -0.195 nan 4.420 nan 0.000 0.222 91 P C 1.151 178.593 177.300 0.237 0.000 1.147 91 P CA 1.218 64.481 63.100 0.270 0.000 0.790 91 P CB -0.135 31.738 31.700 0.287 0.000 0.780 92 F N -0.198 119.842 119.950 0.151 0.000 2.407 92 F HA -0.053 4.474 4.527 -0.000 0.000 0.299 92 F C 1.834 177.665 175.800 0.053 0.000 1.097 92 F CA 1.293 59.362 58.000 0.115 0.000 1.422 92 F CB -2.224 36.824 39.000 0.081 0.000 1.067 92 F HN -0.140 nan 8.300 nan 0.000 0.539 93 T N -3.151 110.991 114.554 -0.687 0.000 2.881 93 T HA -0.235 4.115 4.350 -0.000 0.000 0.270 93 T C 1.522 176.033 174.700 -0.316 0.000 1.068 93 T CA 1.227 62.990 62.100 -0.562 0.000 1.131 93 T CB -1.279 67.148 68.868 -0.736 0.000 0.871 93 T HN 0.613 nan 8.240 nan 0.000 0.479 94 W N 2.033 123.289 121.300 -0.072 0.000 2.374 94 W HA -0.017 4.643 4.660 0.000 0.000 0.288 94 W C 2.034 178.577 176.519 0.039 0.000 1.218 94 W CA 0.284 57.626 57.345 -0.003 0.000 1.245 94 W CB -0.135 29.333 29.460 0.013 0.000 1.126 94 W HN 0.248 nan 8.180 nan 0.000 0.545 95 D N 0.058 120.626 120.400 0.281 0.000 2.144 95 D HA -0.127 4.512 4.640 -0.000 0.000 0.200 95 D C 2.160 178.514 176.300 0.090 0.000 0.978 95 D CA 1.562 55.713 54.000 0.250 0.000 0.833 95 D CB -0.777 40.209 40.800 0.310 0.000 0.961 95 D HN 0.125 nan 8.370 nan 0.000 0.470 96 A N 0.501 123.315 122.820 -0.010 0.000 2.216 96 A HA -0.011 4.308 4.320 -0.000 0.000 0.214 96 A C 1.765 179.334 177.584 -0.024 0.000 1.160 96 A CA 0.967 52.894 52.037 -0.184 0.000 0.725 96 A CB -0.173 18.560 19.000 -0.445 0.000 0.784 96 A HN 0.225 nan 8.150 nan 0.000 0.472 97 V N -2.666 117.313 119.914 0.110 0.000 3.166 97 V HA 0.338 4.458 4.120 -0.000 0.000 0.332 97 V C 0.116 176.354 176.094 0.240 0.000 1.434 97 V CA -0.393 62.024 62.300 0.194 0.000 1.121 97 V CB -1.131 30.811 31.823 0.199 0.000 1.062 97 V HN 0.570 nan 8.190 nan 0.000 0.489 98 R N -0.325 120.318 120.500 0.237 0.000 2.732 98 R HA 0.801 5.141 4.340 -0.000 0.000 0.278 98 R C -1.585 174.902 176.300 0.311 0.000 0.976 98 R CA -0.869 55.376 56.100 0.241 0.000 0.963 98 R CB 1.926 32.346 30.300 0.200 0.000 1.150 98 R HN 0.235 nan 8.270 nan 0.000 0.478 99 Y N 1.162 121.539 120.300 0.128 0.000 2.358 99 Y HA 0.173 4.723 4.550 -0.000 0.000 0.324 99 Y C -1.082 174.874 175.900 0.094 0.000 1.123 99 Y CA -0.871 57.304 58.100 0.125 0.000 1.067 99 Y CB 1.533 40.070 38.460 0.128 0.000 1.230 99 Y HN 1.018 nan 8.280 nan 0.000 0.429 100 N N 3.823 122.348 118.700 -0.292 0.000 2.721 100 N HA -0.245 4.495 4.740 -0.000 0.000 0.249 100 N C 0.909 176.394 175.510 -0.041 0.000 1.072 100 N CA 1.012 53.948 53.050 -0.189 0.000 0.710 100 N CB -1.011 37.351 38.487 -0.209 0.000 0.993 100 N HN 1.381 nan 8.380 nan 0.000 0.547 101 G N -1.157 107.647 108.800 0.006 0.000 2.179 101 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.260 101 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.260 101 G C -0.090 174.837 174.900 0.045 0.000 0.977 101 G CA 0.755 45.868 45.100 0.021 0.000 0.641 101 G HN 0.476 nan 8.290 nan 0.000 0.533 102 K N 0.200 120.649 120.400 0.082 0.000 2.235 102 K HA 0.643 4.963 4.320 -0.000 0.000 0.266 102 K C -0.085 176.582 176.600 0.112 0.000 0.980 102 K CA -1.019 55.318 56.287 0.082 0.000 0.849 102 K CB 1.686 34.240 32.500 0.090 0.000 1.098 102 K HN 0.017 nan 8.250 nan 0.000 0.445 103 L N 4.239 125.503 121.223 0.069 0.000 2.410 103 L HA 0.077 4.417 4.340 -0.000 0.000 0.273 103 L C 0.674 177.586 176.870 0.069 0.000 1.144 103 L CA 0.532 55.420 54.840 0.081 0.000 0.863 103 L CB 0.272 42.335 42.059 0.007 0.000 1.140 103 L HN 0.688 nan 8.230 nan 0.000 0.463 104 I N 0.023 120.661 120.570 0.115 0.000 4.439 104 I HA 0.668 4.838 4.170 -0.000 0.000 0.331 104 I C 0.397 176.581 176.117 0.111 0.000 1.345 104 I CA -0.043 61.318 61.300 0.100 0.000 1.193 104 I CB 0.040 38.119 38.000 0.131 0.000 1.221 104 I HN 0.387 nan 8.210 nan 0.000 0.429 105 A N -0.127 122.776 122.820 0.139 0.000 2.572 105 A HA 0.764 5.084 4.320 -0.000 0.000 0.295 105 A C -1.817 175.803 177.584 0.060 0.000 1.072 105 A CA -0.449 51.697 52.037 0.181 0.000 0.691 105 A CB 0.676 19.957 19.000 0.467 0.000 1.291 105 A HN 0.117 nan 8.150 nan 0.000 0.404 106 Y N 1.397 121.813 120.300 0.194 0.000 2.316 106 Y HA 0.445 4.995 4.550 -0.000 0.000 0.331 106 Y C -1.995 173.934 175.900 0.048 0.000 1.083 106 Y CA -1.686 56.515 58.100 0.168 0.000 1.206 106 Y CB 1.121 39.686 38.460 0.175 0.000 1.195 106 Y HN 0.394 nan 8.280 nan 0.000 0.497 107 P HA 0.159 nan 4.420 nan 0.000 0.297 107 P C -0.174 177.119 177.300 -0.011 0.000 1.342 107 P CA -0.155 62.906 63.100 -0.064 0.000 0.801 107 P CB 1.272 32.793 31.700 -0.298 0.000 0.920 108 I N 2.317 122.928 120.570 0.068 0.000 2.641 108 I HA 0.221 4.391 4.170 -0.000 0.000 0.232 108 I C 1.308 177.463 176.117 0.063 0.000 1.060 108 I CA 0.497 61.871 61.300 0.123 0.000 1.417 108 I CB -1.608 36.548 38.000 0.261 0.000 1.227 108 I HN 0.286 nan 8.210 nan 0.000 0.434 109 A N 0.428 123.285 122.820 0.061 0.000 2.387 109 A HA 0.746 5.066 4.320 -0.000 0.000 0.298 109 A C -1.037 176.562 177.584 0.026 0.000 1.165 109 A CA -0.381 51.681 52.037 0.041 0.000 0.814 109 A CB 1.813 20.843 19.000 0.050 0.000 1.357 109 A HN -0.004 nan 8.150 nan 0.000 0.443 110 V N 0.680 120.615 119.914 0.035 0.000 2.525 110 V HA 0.448 4.568 4.120 -0.000 0.000 0.299 110 V C -0.542 175.599 176.094 0.078 0.000 1.034 110 V CA -0.352 61.983 62.300 0.059 0.000 0.863 110 V CB 1.483 33.347 31.823 0.068 0.000 0.999 110 V HN 0.981 nan 8.190 nan 0.000 0.423 111 E N 2.831 123.102 120.200 0.118 0.000 2.195 111 E HA 0.857 5.207 4.350 -0.000 0.000 0.271 111 E C -0.620 176.110 176.600 0.217 0.000 0.923 111 E CA -0.346 56.151 56.400 0.163 0.000 0.790 111 E CB 1.990 31.808 29.700 0.196 0.000 1.155 111 E HN 0.977 nan 8.360 nan 0.000 0.402 112 A N 3.364 126.308 122.820 0.207 0.000 2.599 112 A HA 0.420 4.740 4.320 -0.000 0.000 0.294 112 A C -1.586 176.071 177.584 0.123 0.000 1.055 112 A CA -0.786 51.367 52.037 0.194 0.000 0.683 112 A CB 0.643 19.711 19.000 0.113 0.000 1.278 112 A HN 0.578 nan 8.150 nan 0.000 0.412 113 L N 1.320 122.622 121.223 0.132 0.000 2.417 113 L HA 0.565 4.905 4.340 -0.000 0.000 0.268 113 L C 0.650 177.510 176.870 -0.016 0.000 1.158 113 L CA 0.146 54.998 54.840 0.019 0.000 0.819 113 L CB 1.279 43.365 42.059 0.045 0.000 1.112 113 L HN 0.751 nan 8.230 nan 0.000 0.458 114 S N 1.397 117.071 115.700 -0.043 0.000 2.732 114 S HA 0.543 5.013 4.470 -0.000 0.000 0.293 114 S C -1.207 173.355 174.600 -0.063 0.000 1.159 114 S CA -0.697 57.489 58.200 -0.024 0.000 0.847 114 S CB 1.841 65.067 63.200 0.045 0.000 1.169 114 S HN 0.421 nan 8.310 nan 0.000 0.501 115 L N 2.581 123.762 121.223 -0.071 0.000 2.272 115 L HA 0.581 4.921 4.340 -0.000 0.000 0.289 115 L C -1.621 175.230 176.870 -0.032 0.000 1.032 115 L CA -0.469 54.304 54.840 -0.113 0.000 0.810 115 L CB 0.171 42.118 42.059 -0.185 0.000 1.205 115 L HN 0.646 nan 8.230 nan 0.000 0.422 116 I N 6.562 127.067 120.570 -0.109 0.000 2.355 116 I HA 0.281 4.451 4.170 -0.000 0.000 0.288 116 I C -0.967 175.128 176.117 -0.037 0.000 0.999 116 I CA -0.808 60.416 61.300 -0.127 0.000 1.163 116 I CB 1.215 38.901 38.000 -0.523 0.000 1.316 116 I HN 0.449 nan 8.210 nan 0.000 0.454 117 Y N 3.625 123.965 120.300 0.066 0.000 2.446 117 Y HA 0.504 5.054 4.550 -0.000 0.000 0.345 117 Y C -0.378 175.801 175.900 0.464 0.000 0.984 117 Y CA -2.380 55.893 58.100 0.288 0.000 1.058 117 Y CB 0.544 39.070 38.460 0.109 0.000 1.220 117 Y HN 0.472 nan 8.280 nan 0.000 0.455 118 N N 3.507 122.429 118.700 0.369 0.000 2.400 118 N HA 0.045 4.784 4.740 -0.000 0.000 0.267 118 N C 0.475 175.948 175.510 -0.061 0.000 1.208 118 N CA 0.236 53.268 53.050 -0.030 0.000 0.951 118 N CB 0.564 38.908 38.487 -0.239 0.000 1.227 118 N HN 0.865 nan 8.380 nan 0.000 0.488 119 K N 1.691 121.976 120.400 -0.192 0.000 2.218 119 K HA -0.162 4.158 4.320 -0.000 0.000 0.205 119 K C 0.654 177.219 176.600 -0.058 0.000 1.046 119 K CA 1.158 57.353 56.287 -0.152 0.000 0.933 119 K CB 0.272 32.647 32.500 -0.208 0.000 0.728 119 K HN 0.548 nan 8.250 nan 0.000 0.454 120 D N 0.729 121.086 120.400 -0.071 0.000 2.081 120 D HA -0.131 4.509 4.640 -0.000 0.000 0.194 120 D C 1.689 177.976 176.300 -0.023 0.000 0.986 120 D CA 1.353 55.323 54.000 -0.051 0.000 0.837 120 D CB -0.104 40.655 40.800 -0.069 0.000 0.985 120 D HN 0.118 nan 8.370 nan 0.000 0.448 121 L N -0.771 120.441 121.223 -0.018 0.000 2.558 121 L HA 0.209 4.549 4.340 -0.000 0.000 0.225 121 L C 0.490 177.383 176.870 0.038 0.000 1.128 121 L CA 0.332 55.175 54.840 0.005 0.000 0.868 121 L CB -0.240 41.817 42.059 -0.003 0.000 1.006 121 L HN -0.113 nan 8.230 nan 0.000 0.454 122 L N 0.853 122.119 121.223 0.071 0.000 2.514 122 L HA 0.490 4.830 4.340 -0.000 0.000 0.257 122 L C -2.055 174.919 176.870 0.174 0.000 1.101 122 L CA -1.472 53.440 54.840 0.120 0.000 0.911 122 L CB 1.429 43.585 42.059 0.161 0.000 1.162 122 L HN -0.191 nan 8.230 nan 0.000 0.477 123 P HA -0.012 nan 4.420 nan 0.000 0.217 123 P C -0.363 177.030 177.300 0.156 0.000 1.151 123 P CA 0.982 64.146 63.100 0.106 0.000 0.828 123 P CB 0.266 31.995 31.700 0.049 0.000 0.788 124 N N 0.316 119.073 118.700 0.095 0.000 2.392 124 N HA 0.263 5.003 4.740 -0.000 0.000 0.283 124 N C -2.643 172.847 175.510 -0.033 0.000 1.003 124 N CA -1.466 51.604 53.050 0.033 0.000 0.892 124 N CB 1.766 40.251 38.487 -0.004 0.000 1.193 124 N HN 0.054 nan 8.380 nan 0.000 0.487 125 P HA 0.292 nan 4.420 nan 0.000 0.281 125 P C -2.680 174.487 177.300 -0.221 0.000 1.249 125 P CA -1.310 61.601 63.100 -0.316 0.000 0.810 125 P CB 0.021 31.264 31.700 -0.763 0.000 1.008 126 P HA 0.086 nan 4.420 nan 0.000 0.267 126 P C 0.548 177.734 177.300 -0.189 0.000 1.209 126 P CA 0.023 63.026 63.100 -0.162 0.000 0.763 126 P CB 0.567 32.169 31.700 -0.164 0.000 0.816 127 K N 0.720 121.040 120.400 -0.133 0.000 2.366 127 K HA 0.042 4.362 4.320 -0.000 0.000 0.198 127 K C 1.158 177.700 176.600 -0.098 0.000 1.044 127 K CA 0.819 57.035 56.287 -0.118 0.000 0.973 127 K CB -0.128 32.323 32.500 -0.082 0.000 0.767 127 K HN 0.687 nan 8.250 nan 0.000 0.475 128 T N -4.843 109.661 114.554 -0.084 0.000 2.883 128 T HA 0.284 4.634 4.350 -0.000 0.000 0.296 128 T C 0.325 175.012 174.700 -0.022 0.000 1.117 128 T CA -0.859 61.230 62.100 -0.018 0.000 1.006 128 T CB 0.622 69.511 68.868 0.035 0.000 1.191 128 T HN 0.096 nan 8.240 nan 0.000 0.508 129 W N 0.619 121.904 121.300 -0.024 0.000 2.425 129 W HA 0.150 4.810 4.660 -0.000 0.000 0.277 129 W C 2.018 178.640 176.519 0.173 0.000 1.231 129 W CA 0.753 58.088 57.345 -0.017 0.000 1.248 129 W CB -0.102 29.218 29.460 -0.234 0.000 1.117 129 W HN 0.802 nan 8.180 nan 0.000 0.568 130 E N -0.059 120.387 120.200 0.410 0.000 2.358 130 E HA -0.108 4.241 4.350 -0.000 0.000 0.195 130 E C 1.590 178.349 176.600 0.266 0.000 1.010 130 E CA 0.883 57.571 56.400 0.479 0.000 0.856 130 E CB -0.226 29.678 29.700 0.341 0.000 0.795 130 E HN 0.360 nan 8.360 nan 0.000 0.504 131 E N 0.369 120.664 120.200 0.158 0.000 2.152 131 E HA -0.082 4.268 4.350 -0.000 0.000 0.192 131 E C 1.852 178.480 176.600 0.047 0.000 0.983 131 E CA 0.604 57.046 56.400 0.070 0.000 0.818 131 E CB -0.089 29.622 29.700 0.018 0.000 0.758 131 E HN 0.300 nan 8.360 nan 0.000 0.467 132 I N 1.453 122.066 120.570 0.072 0.000 2.264 132 I HA -0.208 3.962 4.170 -0.000 0.000 0.248 132 I C -0.728 175.340 176.117 -0.082 0.000 1.111 132 I CA 1.092 62.403 61.300 0.019 0.000 1.382 132 I CB -1.315 36.724 38.000 0.065 0.000 1.060 132 I HN 0.079 nan 8.210 nan 0.000 0.418 133 P HA -0.119 nan 4.420 nan 0.000 0.214 133 P C 1.597 178.694 177.300 -0.338 0.000 1.162 133 P CA 1.749 64.518 63.100 -0.550 0.000 0.874 133 P CB -0.018 31.612 31.700 -0.117 0.000 0.784 134 A N -0.380 122.386 122.820 -0.091 0.000 1.972 134 A HA -0.167 4.153 4.320 -0.000 0.000 0.219 134 A C 2.176 179.738 177.584 -0.037 0.000 1.169 134 A CA 1.511 53.531 52.037 -0.028 0.000 0.635 134 A CB -1.747 17.259 19.000 0.010 0.000 0.810 134 A HN 0.243 nan 8.150 nan 0.000 0.446 135 L N -0.963 120.230 121.223 -0.050 0.000 2.217 135 L HA -0.094 4.246 4.340 -0.000 0.000 0.211 135 L C 1.835 178.678 176.870 -0.045 0.000 1.107 135 L CA 2.114 56.932 54.840 -0.037 0.000 0.783 135 L CB -0.296 41.745 42.059 -0.030 0.000 0.919 135 L HN 0.281 nan 8.230 nan 0.000 0.442 136 D N 0.378 120.718 120.400 -0.100 0.000 2.149 136 D HA -0.211 4.428 4.640 -0.000 0.000 0.198 136 D C 2.087 178.380 176.300 -0.012 0.000 0.990 136 D CA 1.170 55.123 54.000 -0.077 0.000 0.839 136 D CB 0.134 40.816 40.800 -0.196 0.000 0.948 136 D HN 0.260 nan 8.370 nan 0.000 0.460 137 K N 0.302 120.699 120.400 -0.006 0.000 2.074 137 K HA -0.175 4.145 4.320 -0.000 0.000 0.209 137 K C 2.086 178.695 176.600 0.015 0.000 1.048 137 K CA 1.365 57.665 56.287 0.022 0.000 0.926 137 K CB -0.047 32.467 32.500 0.023 0.000 0.713 137 K HN 0.284 nan 8.250 nan 0.000 0.444 138 E N 0.095 120.299 120.200 0.006 0.000 2.017 138 E HA -0.158 4.192 4.350 -0.000 0.000 0.193 138 E C 1.969 178.576 176.600 0.011 0.000 0.997 138 E CA 1.301 57.706 56.400 0.008 0.000 0.804 138 E CB -0.077 29.626 29.700 0.004 0.000 0.757 138 E HN 0.152 nan 8.360 nan 0.000 0.448 139 L N 0.718 121.948 121.223 0.012 0.000 2.131 139 L HA -0.085 4.255 4.340 -0.000 0.000 0.206 139 L C 2.265 179.148 176.870 0.022 0.000 1.087 139 L CA 0.735 55.585 54.840 0.018 0.000 0.767 139 L CB -0.163 41.909 42.059 0.022 0.000 0.917 139 L HN -0.053 nan 8.230 nan 0.000 0.441 140 K N 0.464 120.881 120.400 0.028 0.000 2.281 140 K HA -0.060 4.260 4.320 -0.000 0.000 0.203 140 K C 1.661 178.277 176.600 0.027 0.000 1.046 140 K CA 1.227 57.535 56.287 0.035 0.000 0.938 140 K CB -0.206 32.325 32.500 0.052 0.000 0.737 140 K HN 0.276 nan 8.250 nan 0.000 0.458 141 A N 1.646 124.479 122.820 0.022 0.000 2.370 141 A HA -0.023 4.297 4.320 -0.000 0.000 0.238 141 A C 0.972 178.564 177.584 0.013 0.000 1.289 141 A CA 0.090 52.137 52.037 0.017 0.000 0.885 141 A CB -0.205 18.805 19.000 0.016 0.000 0.961 141 A HN 0.341 nan 8.150 nan 0.000 0.499 142 K N -2.029 118.379 120.400 0.013 0.000 2.619 142 K HA 0.435 4.755 4.320 -0.000 0.000 0.201 142 K C 0.605 177.211 176.600 0.009 0.000 1.090 142 K CA 0.071 56.363 56.287 0.009 0.000 1.063 142 K CB -0.221 32.283 32.500 0.007 0.000 0.810 142 K HN 0.649 nan 8.250 nan 0.000 0.506 143 G N 1.841 110.649 108.800 0.013 0.000 2.314 143 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.292 143 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.292 143 G C -0.610 174.299 174.900 0.015 0.000 1.059 143 G CA 0.250 45.358 45.100 0.013 0.000 0.982 143 G HN 0.273 nan 8.290 nan 0.000 0.505 144 K N -0.750 119.662 120.400 0.020 0.000 2.466 144 K HA 0.792 5.112 4.320 -0.000 0.000 0.260 144 K C 0.282 176.903 176.600 0.035 0.000 1.011 144 K CA -0.062 56.239 56.287 0.024 0.000 0.871 144 K CB 1.831 34.343 32.500 0.019 0.000 1.404 144 K HN 0.616 nan 8.250 nan 0.000 0.450 145 S N -1.353 114.375 115.700 0.045 0.000 2.726 145 S HA 0.710 5.180 4.470 -0.000 0.000 0.308 145 S C 0.529 175.168 174.600 0.064 0.000 1.115 145 S CA -0.193 58.041 58.200 0.057 0.000 0.965 145 S CB 1.761 65.001 63.200 0.066 0.000 1.145 145 S HN 0.559 nan 8.310 nan 0.000 0.532 146 A N -0.491 122.368 122.820 0.065 0.000 2.035 146 A HA 0.599 4.919 4.320 -0.000 0.000 0.208 146 A C 0.185 177.824 177.584 0.093 0.000 1.206 146 A CA 0.392 52.466 52.037 0.061 0.000 0.773 146 A CB -0.338 18.675 19.000 0.020 0.000 0.878 146 A HN 0.903 nan 8.150 nan 0.000 0.469 147 L N -0.845 120.448 121.223 0.117 0.000 2.545 147 L HA 0.709 5.048 4.340 -0.000 0.000 0.258 147 L C -1.681 175.290 176.870 0.168 0.000 0.942 147 L CA -0.255 54.684 54.840 0.165 0.000 0.855 147 L CB 1.777 43.949 42.059 0.189 0.000 1.374 147 L HN 0.256 nan 8.230 nan 0.000 0.411 148 M N 5.861 125.581 119.600 0.199 0.000 2.255 148 M HA 0.547 5.027 4.480 -0.000 0.000 0.275 148 M C -1.706 174.697 176.300 0.172 0.000 1.050 148 M CA -0.299 55.054 55.300 0.089 0.000 0.978 148 M CB 2.038 34.672 32.600 0.058 0.000 1.761 148 M HN 0.554 nan 8.290 nan 0.000 0.479 149 F N 0.028 119.979 119.950 0.003 0.000 2.645 149 F HA 0.601 5.128 4.527 -0.000 0.000 0.310 149 F C -0.417 175.290 175.800 -0.155 0.000 1.102 149 F CA -1.326 56.636 58.000 -0.064 0.000 0.952 149 F CB 0.691 39.736 39.000 0.075 0.000 1.326 149 F HN 0.488 nan 8.300 nan 0.000 0.456 150 N N 1.553 120.078 118.700 -0.291 0.000 2.301 150 N HA 0.010 4.750 4.740 -0.000 0.000 0.267 150 N C 0.117 175.507 175.510 -0.201 0.000 1.304 150 N CA 0.381 53.161 53.050 -0.450 0.000 0.851 150 N CB 0.446 38.313 38.487 -1.032 0.000 1.070 150 N HN 0.815 nan 8.380 nan 0.000 0.483 151 L N 2.101 123.223 121.223 -0.169 0.000 2.664 151 L HA 0.130 4.470 4.340 -0.000 0.000 0.233 151 L C 1.184 178.052 176.870 -0.002 0.000 1.113 151 L CA -0.025 54.774 54.840 -0.068 0.000 0.896 151 L CB 0.093 42.071 42.059 -0.137 0.000 1.163 151 L HN 0.432 nan 8.230 nan 0.000 0.497 152 Q N 0.369 120.154 119.800 -0.025 0.000 2.472 152 Q HA 0.101 4.441 4.340 -0.000 0.000 0.208 152 Q C -0.034 176.000 176.000 0.057 0.000 0.958 152 Q CA 0.716 56.522 55.803 0.006 0.000 0.932 152 Q CB 0.184 28.917 28.738 -0.009 0.000 1.007 152 Q HN 0.321 nan 8.270 nan 0.000 0.508 153 E N -0.080 120.190 120.200 0.117 0.000 2.275 153 E HA 0.191 4.541 4.350 -0.000 0.000 0.270 153 E C -1.974 174.854 176.600 0.380 0.000 0.882 153 E CA -1.864 54.668 56.400 0.219 0.000 0.758 153 E CB 2.362 32.211 29.700 0.248 0.000 1.195 153 E HN -0.157 nan 8.360 nan 0.000 0.419 154 P HA -0.192 nan 4.420 nan 0.000 0.216 154 P C 1.522 179.236 177.300 0.689 0.000 1.153 154 P CA 1.096 64.507 63.100 0.518 0.000 0.848 154 P CB 0.138 32.182 31.700 0.573 0.000 0.787 155 Y N -0.006 120.559 120.300 0.441 0.000 2.172 155 Y HA -0.288 4.262 4.550 -0.000 0.000 0.280 155 Y C 2.096 178.218 175.900 0.370 0.000 1.209 155 Y CA 1.826 60.160 58.100 0.390 0.000 1.171 155 Y CB -0.880 37.571 38.460 -0.016 0.000 0.965 155 Y HN -0.214 nan 8.280 nan 0.000 0.520 156 F N -0.836 119.451 119.950 0.563 0.000 2.335 156 F HA -0.111 4.416 4.527 -0.000 0.000 0.296 156 F C 2.585 178.588 175.800 0.339 0.000 1.091 156 F CA 1.582 59.847 58.000 0.441 0.000 1.399 156 F CB -0.756 38.511 39.000 0.444 0.000 1.067 156 F HN 0.087 nan 8.300 nan 0.000 0.520 157 T N -3.061 111.838 114.554 0.575 0.000 3.035 157 T HA -0.183 4.167 4.350 -0.000 0.000 0.259 157 T C 1.932 176.774 174.700 0.236 0.000 1.078 157 T CA 0.293 62.637 62.100 0.407 0.000 1.132 157 T CB -0.840 68.246 68.868 0.363 0.000 0.900 157 T HN 0.515 nan 8.240 nan 0.000 0.480 158 W N 3.546 124.944 121.300 0.163 0.000 2.350 158 W HA -0.066 4.594 4.660 -0.000 0.000 0.289 158 W C -1.530 174.923 176.519 -0.110 0.000 1.215 158 W CA 1.083 58.467 57.345 0.065 0.000 1.236 158 W CB -0.953 28.634 29.460 0.212 0.000 1.130 158 W HN 0.278 nan 8.180 nan 0.000 0.541 159 P HA -0.219 nan 4.420 nan 0.000 0.218 159 P C 2.130 179.165 177.300 -0.442 0.000 1.148 159 P CA 1.391 64.299 63.100 -0.320 0.000 0.822 159 P CB -0.400 31.229 31.700 -0.118 0.000 0.784 160 L N -0.685 120.243 121.223 -0.493 0.000 2.049 160 L HA -0.073 4.267 4.340 -0.000 0.000 0.203 160 L C 2.607 179.002 176.870 -0.793 0.000 1.074 160 L CA 1.343 55.711 54.840 -0.787 0.000 0.749 160 L CB -0.734 40.748 42.059 -0.962 0.000 0.907 160 L HN -0.155 nan 8.230 nan 0.000 0.439 161 I N 0.585 120.748 120.570 -0.678 0.000 2.087 161 I HA -0.355 3.815 4.170 -0.000 0.000 0.240 161 I C 2.802 178.452 176.117 -0.778 0.000 1.054 161 I CA 1.607 62.514 61.300 -0.655 0.000 1.311 161 I CB -0.686 37.001 38.000 -0.521 0.000 1.024 161 I HN 0.305 nan 8.210 nan 0.000 0.402 162 A N 0.664 122.768 122.820 -1.193 0.000 1.978 162 A HA -0.172 4.148 4.320 -0.000 0.000 0.220 162 A C 2.558 179.873 177.584 -0.448 0.000 1.170 162 A CA 1.830 53.295 52.037 -0.952 0.000 0.636 162 A CB -0.874 17.423 19.000 -1.171 0.000 0.810 162 A HN 0.490 nan 8.150 nan 0.000 0.448 163 A N 0.075 122.646 122.820 -0.415 0.000 1.896 163 A HA -0.310 4.010 4.320 -0.000 0.000 0.220 163 A C 1.831 179.377 177.584 -0.065 0.000 1.206 163 A CA 2.400 54.319 52.037 -0.197 0.000 0.647 163 A CB -0.796 18.107 19.000 -0.162 0.000 0.828 163 A HN 0.494 nan 8.150 nan 0.000 0.455 164 D N -2.810 117.581 120.400 -0.014 0.000 2.349 164 D HA 0.300 4.940 4.640 -0.000 0.000 0.224 164 D C 1.048 177.359 176.300 0.018 0.000 1.029 164 D CA 1.340 55.379 54.000 0.065 0.000 0.879 164 D CB 0.087 41.015 40.800 0.214 0.000 0.906 164 D HN 0.572 nan 8.370 nan 0.000 0.528 165 G N -1.496 107.301 108.800 -0.004 0.000 2.559 165 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.202 165 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.202 165 G C 0.682 175.680 174.900 0.164 0.000 0.992 165 G CA -0.222 44.916 45.100 0.064 0.000 0.764 165 G HN 0.474 nan 8.290 nan 0.000 0.525 166 G N 0.255 109.064 108.800 0.015 0.000 2.544 166 G HA2 0.655 4.615 3.960 -0.000 0.000 0.242 166 G HA3 0.655 4.615 3.960 -0.000 0.000 0.242 166 G C -0.340 174.680 174.900 0.200 0.000 1.247 166 G CA 0.575 45.664 45.100 -0.018 0.000 0.840 166 G HN 1.658 nan 8.290 nan 0.000 0.578 167 Y N -2.337 118.124 120.300 0.267 0.000 2.583 167 Y HA 0.604 5.153 4.550 -0.000 0.000 0.330 167 Y C 0.584 176.682 175.900 0.330 0.000 1.185 167 Y CA -0.739 57.612 58.100 0.418 0.000 1.107 167 Y CB 0.325 38.907 38.460 0.203 0.000 1.344 167 Y HN 0.782 nan 8.280 nan 0.000 0.463 168 A N 2.166 125.084 122.820 0.163 0.000 1.829 168 A HA 0.220 4.540 4.320 -0.000 0.000 0.216 168 A C -0.169 177.030 177.584 -0.641 0.000 1.207 168 A CA 1.767 53.493 52.037 -0.518 0.000 0.622 168 A CB -0.530 17.916 19.000 -0.924 0.000 0.846 168 A HN 0.621 nan 8.150 nan 0.000 0.447 169 F N -2.902 117.164 119.950 0.194 0.000 2.613 169 F HA 0.542 5.069 4.527 -0.000 0.000 0.314 169 F C -0.082 176.036 175.800 0.530 0.000 1.075 169 F CA -1.149 57.023 58.000 0.286 0.000 0.945 169 F CB 1.649 40.674 39.000 0.043 0.000 1.310 169 F HN -0.112 nan 8.300 nan 0.000 0.467 170 K N 1.906 122.709 120.400 0.671 0.000 2.171 170 K HA 0.138 4.458 4.320 -0.000 0.000 0.274 170 K C -1.412 175.442 176.600 0.422 0.000 1.110 170 K CA -0.078 56.457 56.287 0.413 0.000 0.952 170 K CB -0.776 31.885 32.500 0.269 0.000 1.309 170 K HN 0.463 nan 8.250 nan 0.000 0.414 171 Y N 3.066 123.520 120.300 0.256 0.000 2.436 171 Y HA 0.264 4.814 4.550 -0.000 0.000 0.336 171 Y C -0.410 175.466 175.900 -0.040 0.000 1.049 171 Y CA -0.108 57.988 58.100 -0.007 0.000 1.294 171 Y CB 0.375 38.743 38.460 -0.153 0.000 1.179 171 Y HN 0.649 nan 8.280 nan 0.000 0.520 172 E N 6.254 126.218 120.200 -0.392 0.000 2.481 172 E HA 0.129 4.479 4.350 -0.000 0.000 0.301 172 E C -1.122 175.291 176.600 -0.313 0.000 0.948 172 E CA -0.432 55.788 56.400 -0.301 0.000 0.804 172 E CB 0.709 30.341 29.700 -0.113 0.000 1.265 172 E HN 0.907 nan 8.360 nan 0.000 0.406 173 N N 2.455 120.976 118.700 -0.298 0.000 2.738 173 N HA -0.254 4.486 4.740 -0.000 0.000 0.249 173 N C 0.558 175.902 175.510 -0.276 0.000 1.047 173 N CA 0.920 53.832 53.050 -0.231 0.000 0.707 173 N CB -1.958 36.450 38.487 -0.133 0.000 0.937 173 N HN 0.928 nan 8.380 nan 0.000 0.545 174 G N -1.160 107.367 108.800 -0.455 0.000 2.203 174 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.263 174 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.263 174 G C -0.063 174.696 174.900 -0.235 0.000 1.012 174 G CA 1.157 46.050 45.100 -0.346 0.000 0.749 174 G HN 0.887 nan 8.290 nan 0.000 0.512 175 K N -0.909 119.254 120.400 -0.396 0.000 2.535 175 K HA 0.628 4.948 4.320 -0.000 0.000 0.251 175 K C -0.485 176.119 176.600 0.006 0.000 0.942 175 K CA -1.044 55.188 56.287 -0.090 0.000 0.798 175 K CB 0.739 33.199 32.500 -0.067 0.000 1.267 175 K HN 0.029 nan 8.250 nan 0.000 0.434 176 Y N 0.986 121.452 120.300 0.277 0.000 2.314 176 Y HA 0.252 4.802 4.550 -0.000 0.000 0.334 176 Y C 0.408 176.375 175.900 0.112 0.000 1.266 176 Y CA 0.253 58.502 58.100 0.248 0.000 1.391 176 Y CB 0.839 39.364 38.460 0.109 0.000 1.306 176 Y HN 0.465 nan 8.280 nan 0.000 0.558 177 D N 2.539 123.162 120.400 0.372 0.000 2.461 177 D HA 0.205 4.845 4.640 -0.000 0.000 0.240 177 D C 0.640 177.092 176.300 0.252 0.000 1.094 177 D CA -0.229 53.920 54.000 0.248 0.000 0.868 177 D CB 0.535 41.483 40.800 0.246 0.000 1.062 177 D HN 0.565 nan 8.370 nan 0.000 0.530 178 I N 0.050 120.677 120.570 0.096 0.000 3.291 178 I HA 0.023 4.192 4.170 -0.000 0.000 0.279 178 I C 1.439 177.666 176.117 0.184 0.000 1.294 178 I CA 0.111 61.407 61.300 -0.006 0.000 1.428 178 I CB 0.083 38.001 38.000 -0.137 0.000 1.070 178 I HN -0.074 nan 8.210 nan 0.000 0.478 179 K N 0.844 121.359 120.400 0.192 0.000 2.168 179 K HA 0.053 4.373 4.320 -0.000 0.000 0.201 179 K C 0.417 177.146 176.600 0.215 0.000 1.049 179 K CA 0.537 56.931 56.287 0.179 0.000 0.974 179 K CB -0.232 32.340 32.500 0.120 0.000 0.792 179 K HN 0.190 nan 8.250 nan 0.000 0.463 180 D N 2.593 123.148 120.400 0.260 0.000 2.545 180 D HA 0.033 4.673 4.640 -0.000 0.000 0.227 180 D C -0.641 175.823 176.300 0.274 0.000 1.150 180 D CA 0.010 54.172 54.000 0.270 0.000 1.046 180 D CB -0.259 40.728 40.800 0.312 0.000 1.098 180 D HN -0.259 nan 8.370 nan 0.000 0.502 181 V N 1.469 121.431 119.914 0.081 0.000 2.775 181 V HA 0.507 4.627 4.120 -0.000 0.000 0.299 181 V C 1.469 177.339 176.094 -0.374 0.000 1.062 181 V CA -0.358 61.808 62.300 -0.223 0.000 1.063 181 V CB 1.724 33.426 31.823 -0.201 0.000 0.994 181 V HN 0.530 nan 8.190 nan 0.000 0.483 182 G N 1.708 109.992 108.800 -0.860 0.000 4.959 182 G HA2 0.404 4.364 3.960 -0.000 0.000 0.297 182 G HA3 0.404 4.364 3.960 -0.000 0.000 0.297 182 G C 0.207 174.774 174.900 -0.556 0.000 1.351 182 G CA 0.424 44.788 45.100 -1.226 0.000 1.016 182 G HN 0.911 nan 8.290 nan 0.000 0.592 183 V N -3.225 116.542 119.914 -0.245 0.000 3.427 183 V HA 0.327 4.447 4.120 -0.000 0.000 0.305 183 V C 0.679 176.736 176.094 -0.061 0.000 1.412 183 V CA 0.467 62.730 62.300 -0.061 0.000 1.086 183 V CB 0.876 32.705 31.823 0.010 0.000 0.964 183 V HN 0.082 nan 8.190 nan 0.000 0.439 184 D N 1.387 121.742 120.400 -0.075 0.000 2.392 184 D HA 0.128 4.767 4.640 -0.000 0.000 0.206 184 D C 0.917 177.204 176.300 -0.022 0.000 1.046 184 D CA 0.511 54.486 54.000 -0.041 0.000 0.865 184 D CB 0.202 40.983 40.800 -0.032 0.000 0.969 184 D HN 0.801 nan 8.370 nan 0.000 0.509 185 N N 0.132 118.819 118.700 -0.021 0.000 2.285 185 N HA 0.152 4.892 4.740 -0.000 0.000 0.262 185 N C 1.250 176.768 175.510 0.014 0.000 1.299 185 N CA 0.339 53.396 53.050 0.012 0.000 0.930 185 N CB 0.087 38.604 38.487 0.049 0.000 1.157 185 N HN -0.143 nan 8.380 nan 0.000 0.532 186 A N -0.805 122.032 122.820 0.028 0.000 1.892 186 A HA -0.088 4.232 4.320 -0.000 0.000 0.218 186 A C 2.102 179.705 177.584 0.032 0.000 1.188 186 A CA 2.246 54.300 52.037 0.029 0.000 0.631 186 A CB -1.834 17.184 19.000 0.031 0.000 0.822 186 A HN 0.812 nan 8.150 nan 0.000 0.447 187 G N -1.139 107.679 108.800 0.031 0.000 2.403 187 G HA2 0.106 4.066 3.960 -0.000 0.000 0.216 187 G HA3 0.106 4.066 3.960 -0.000 0.000 0.216 187 G C 1.701 176.581 174.900 -0.034 0.000 1.154 187 G CA 1.278 46.395 45.100 0.027 0.000 0.784 187 G HN 0.820 nan 8.290 nan 0.000 0.538 188 A N 0.720 123.501 122.820 -0.065 0.000 1.930 188 A HA 0.075 4.395 4.320 -0.000 0.000 0.217 188 A C 2.270 179.804 177.584 -0.082 0.000 1.175 188 A CA 1.855 53.821 52.037 -0.119 0.000 0.627 188 A CB -0.291 18.658 19.000 -0.084 0.000 0.815 188 A HN 0.351 nan 8.150 nan 0.000 0.443 189 K N -0.318 120.063 120.400 -0.032 0.000 2.002 189 K HA -0.069 4.251 4.320 -0.000 0.000 0.209 189 K C 2.349 178.956 176.600 0.010 0.000 1.048 189 K CA 1.242 57.523 56.287 -0.010 0.000 0.930 189 K CB -0.340 32.163 32.500 0.005 0.000 0.714 189 K HN 0.414 nan 8.250 nan 0.000 0.438 190 A N 1.083 123.936 122.820 0.056 0.000 1.933 190 A HA -0.102 4.218 4.320 -0.000 0.000 0.218 190 A C 2.356 180.006 177.584 0.110 0.000 1.175 190 A CA 1.979 54.108 52.037 0.153 0.000 0.628 190 A CB -1.275 17.874 19.000 0.249 0.000 0.814 190 A HN 0.462 nan 8.150 nan 0.000 0.444 191 G N -0.116 108.618 108.800 -0.110 0.000 2.514 191 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.217 191 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.217 191 G C 1.480 176.181 174.900 -0.331 0.000 1.198 191 G CA 1.308 46.100 45.100 -0.514 0.000 0.780 191 G HN 0.481 nan 8.290 nan 0.000 0.565 192 L N 0.653 121.772 121.223 -0.173 0.000 2.217 192 L HA 0.083 4.423 4.340 -0.000 0.000 0.211 192 L C 2.976 179.829 176.870 -0.029 0.000 1.107 192 L CA 1.929 56.713 54.840 -0.092 0.000 0.783 192 L CB -0.511 41.514 42.059 -0.055 0.000 0.919 192 L HN 0.200 nan 8.230 nan 0.000 0.442 193 T N -0.823 113.732 114.554 0.001 0.000 2.643 193 T HA -0.243 4.107 4.350 -0.000 0.000 0.264 193 T C 1.616 176.356 174.700 0.066 0.000 1.045 193 T CA 1.975 64.097 62.100 0.036 0.000 1.155 193 T CB -0.571 68.334 68.868 0.061 0.000 0.863 193 T HN 0.331 nan 8.240 nan 0.000 0.420 194 F N 1.365 121.292 119.950 -0.038 0.000 2.045 194 F HA -0.232 4.295 4.527 -0.000 0.000 0.297 194 F C 2.163 177.942 175.800 -0.036 0.000 1.114 194 F CA 1.395 59.388 58.000 -0.013 0.000 1.207 194 F CB -0.465 38.489 39.000 -0.076 0.000 0.964 194 F HN 0.055 nan 8.300 nan 0.000 0.486 195 L N 0.032 121.374 121.223 0.199 0.000 2.043 195 L HA -0.206 4.134 4.340 -0.000 0.000 0.212 195 L C 2.091 179.004 176.870 0.072 0.000 1.075 195 L CA 1.789 56.706 54.840 0.129 0.000 0.752 195 L CB -0.929 41.145 42.059 0.025 0.000 0.891 195 L HN 0.104 nan 8.230 nan 0.000 0.432 196 V N -0.569 119.361 119.914 0.027 0.000 2.453 196 V HA -0.211 3.909 4.120 -0.000 0.000 0.247 196 V C 2.266 178.343 176.094 -0.028 0.000 1.048 196 V CA 1.586 63.885 62.300 -0.003 0.000 1.049 196 V CB -0.860 30.956 31.823 -0.011 0.000 0.672 196 V HN 0.386 nan 8.190 nan 0.000 0.457 197 D N 0.616 120.985 120.400 -0.051 0.000 2.133 197 D HA -0.166 4.474 4.640 -0.000 0.000 0.195 197 D C 2.122 178.349 176.300 -0.122 0.000 0.997 197 D CA 1.383 55.319 54.000 -0.107 0.000 0.840 197 D CB -0.306 40.384 40.800 -0.182 0.000 0.947 197 D HN 0.341 nan 8.370 nan 0.000 0.452 198 L N 0.229 121.414 121.223 -0.065 0.000 2.083 198 L HA -0.111 4.229 4.340 -0.000 0.000 0.209 198 L C 2.334 179.173 176.870 -0.052 0.000 1.083 198 L CA 0.784 55.626 54.840 0.003 0.000 0.752 198 L CB -0.392 41.792 42.059 0.209 0.000 0.899 198 L HN 0.062 nan 8.230 nan 0.000 0.433 199 I N -0.686 119.866 120.570 -0.030 0.000 2.928 199 I HA -0.178 3.991 4.170 -0.000 0.000 0.266 199 I C 2.525 178.600 176.117 -0.070 0.000 1.234 199 I CA 0.822 62.096 61.300 -0.043 0.000 1.483 199 I CB -0.215 37.767 38.000 -0.030 0.000 1.097 199 I HN 0.209 nan 8.210 nan 0.000 0.455 200 K N 1.418 121.765 120.400 -0.088 0.000 2.044 200 K HA -0.014 4.306 4.320 -0.000 0.000 0.204 200 K C 1.733 178.248 176.600 -0.141 0.000 1.045 200 K CA 0.911 57.142 56.287 -0.095 0.000 0.951 200 K CB 0.011 32.462 32.500 -0.081 0.000 0.738 200 K HN 0.284 nan 8.250 nan 0.000 0.443 201 N N 0.826 119.393 118.700 -0.222 0.000 2.513 201 N HA -0.126 4.614 4.740 -0.000 0.000 0.187 201 N C -0.344 174.909 175.510 -0.428 0.000 1.056 201 N CA 0.560 53.387 53.050 -0.372 0.000 0.907 201 N CB 0.172 38.294 38.487 -0.608 0.000 0.954 201 N HN 0.128 nan 8.380 nan 0.000 0.445 202 K N -0.995 119.241 120.400 -0.273 0.000 3.379 202 K HA -0.184 4.136 4.320 -0.000 0.000 0.300 202 K C -0.244 176.325 176.600 -0.052 0.000 1.302 202 K CA 0.651 56.857 56.287 -0.135 0.000 0.877 202 K CB -2.204 30.246 32.500 -0.082 0.000 1.343 202 K HN 0.632 nan 8.250 nan 0.000 0.488 203 H N -1.087 117.992 119.070 0.016 0.000 2.547 203 H HA 0.213 4.768 4.556 -0.000 0.000 0.272 203 H C 1.284 176.633 175.328 0.035 0.000 0.989 203 H CA 0.557 56.628 56.048 0.038 0.000 1.214 203 H CB 0.269 30.071 29.762 0.067 0.000 1.389 203 H HN 0.139 nan 8.280 nan 0.000 0.577 204 M N -0.782 118.875 119.600 0.094 0.000 3.079 204 M HA 0.214 4.693 4.480 -0.000 0.000 0.277 204 M C -1.385 174.903 176.300 -0.020 0.000 1.317 204 M CA -0.799 54.515 55.300 0.024 0.000 0.793 204 M CB 2.680 35.277 32.600 -0.005 0.000 1.690 204 M HN -0.043 nan 8.290 nan 0.000 0.451 205 N N -1.118 117.548 118.700 -0.055 0.000 2.235 205 N HA 0.632 5.372 4.740 -0.000 0.000 0.293 205 N C -0.470 174.995 175.510 -0.075 0.000 1.083 205 N CA -0.098 52.920 53.050 -0.054 0.000 0.801 205 N CB 2.203 40.664 38.487 -0.042 0.000 1.559 205 N HN 0.687 nan 8.380 nan 0.000 0.472 206 A N 1.419 124.205 122.820 -0.057 0.000 2.238 206 A HA 0.027 4.347 4.320 -0.000 0.000 0.210 206 A C 0.963 178.517 177.584 -0.050 0.000 1.179 206 A CA 0.886 52.889 52.037 -0.056 0.000 0.827 206 A CB -0.393 18.583 19.000 -0.040 0.000 0.856 206 A HN 0.884 nan 8.150 nan 0.000 0.488 207 D N -1.618 118.756 120.400 -0.045 0.000 2.339 207 D HA 0.022 4.662 4.640 -0.000 0.000 0.217 207 D C 0.116 176.388 176.300 -0.046 0.000 1.050 207 D CA 0.307 54.285 54.000 -0.037 0.000 0.856 207 D CB -0.529 40.256 40.800 -0.025 0.000 0.922 207 D HN 0.040 nan 8.370 nan 0.000 0.518 208 T N 2.013 116.525 114.554 -0.069 0.000 2.758 208 T HA 0.117 4.467 4.350 -0.000 0.000 0.281 208 T C -0.002 174.636 174.700 -0.103 0.000 0.963 208 T CA 0.289 62.334 62.100 -0.092 0.000 1.201 208 T CB 0.358 69.139 68.868 -0.145 0.000 0.906 208 T HN 0.420 nan 8.240 nan 0.000 0.528 209 D N 2.158 122.514 120.400 -0.074 0.000 2.489 209 D HA 0.155 4.795 4.640 -0.000 0.000 0.232 209 D C 1.110 177.359 176.300 -0.085 0.000 1.230 209 D CA -0.502 53.460 54.000 -0.064 0.000 1.101 209 D CB -0.147 40.650 40.800 -0.005 0.000 1.198 209 D HN 0.291 nan 8.370 nan 0.000 0.611 210 Y N 0.384 120.624 120.300 -0.101 0.000 2.159 210 Y HA 0.033 4.583 4.550 -0.000 0.000 0.285 210 Y C 2.790 178.677 175.900 -0.021 0.000 1.106 210 Y CA 1.892 59.943 58.100 -0.081 0.000 1.095 210 Y CB -0.630 37.797 38.460 -0.054 0.000 1.015 210 Y HN 0.262 nan 8.280 nan 0.000 0.491 211 S N 0.817 116.692 115.700 0.291 0.000 2.393 211 S HA -0.308 4.162 4.470 -0.000 0.000 0.235 211 S C 2.086 176.760 174.600 0.123 0.000 1.061 211 S CA 2.318 60.629 58.200 0.185 0.000 1.129 211 S CB -0.901 62.357 63.200 0.097 0.000 1.011 211 S HN 0.452 nan 8.310 nan 0.000 0.436 212 I N 1.529 122.140 120.570 0.068 0.000 2.127 212 I HA -0.276 3.893 4.170 -0.000 0.000 0.241 212 I C 2.674 178.803 176.117 0.020 0.000 1.075 212 I CA 1.317 62.637 61.300 0.033 0.000 1.334 212 I CB -0.563 37.440 38.000 0.005 0.000 1.040 212 I HN 0.306 nan 8.210 nan 0.000 0.405 213 A N 0.124 122.929 122.820 -0.024 0.000 1.858 213 A HA -0.275 4.045 4.320 -0.000 0.000 0.216 213 A C 2.349 179.935 177.584 0.004 0.000 1.190 213 A CA 2.000 54.005 52.037 -0.054 0.000 0.617 213 A CB -0.775 18.121 19.000 -0.173 0.000 0.827 213 A HN 0.496 nan 8.150 nan 0.000 0.443 214 E N -0.130 120.075 120.200 0.008 0.000 2.038 214 E HA -0.182 4.168 4.350 -0.000 0.000 0.195 214 E C 2.216 178.906 176.600 0.150 0.000 1.000 214 E CA 1.216 57.678 56.400 0.103 0.000 0.803 214 E CB -0.336 29.510 29.700 0.244 0.000 0.750 214 E HN 0.495 nan 8.360 nan 0.000 0.448 215 A N 1.620 124.516 122.820 0.128 0.000 1.882 215 A HA -0.329 3.990 4.320 -0.000 0.000 0.220 215 A C 2.519 180.164 177.584 0.102 0.000 1.253 215 A CA 3.129 55.228 52.037 0.105 0.000 0.664 215 A CB -1.468 17.579 19.000 0.078 0.000 0.838 215 A HN 0.502 nan 8.150 nan 0.000 0.460 216 A N -1.887 120.991 122.820 0.096 0.000 1.927 216 A HA -0.165 4.155 4.320 -0.000 0.000 0.220 216 A C 2.109 179.764 177.584 0.118 0.000 1.185 216 A CA 2.093 54.184 52.037 0.091 0.000 0.639 216 A CB -0.775 18.276 19.000 0.085 0.000 0.820 216 A HN 0.824 nan 8.150 nan 0.000 0.451 217 F N 1.005 120.971 119.950 0.026 0.000 2.113 217 F HA -0.124 4.403 4.527 -0.000 0.000 0.297 217 F C 2.011 177.826 175.800 0.024 0.000 1.103 217 F CA 1.894 59.909 58.000 0.024 0.000 1.248 217 F CB -0.510 38.501 39.000 0.018 0.000 0.999 217 F HN 0.311 nan 8.300 nan 0.000 0.475 218 N N -0.098 118.675 118.700 0.123 0.000 2.430 218 N HA -0.156 4.584 4.740 -0.000 0.000 0.186 218 N C 0.421 175.912 175.510 -0.031 0.000 1.032 218 N CA 0.732 53.809 53.050 0.044 0.000 0.893 218 N CB -0.135 38.416 38.487 0.107 0.000 0.957 218 N HN 0.308 nan 8.380 nan 0.000 0.442 219 K N 0.316 120.694 120.400 -0.037 0.000 3.010 219 K HA 0.135 4.454 4.320 -0.000 0.000 0.211 219 K C 0.182 176.735 176.600 -0.080 0.000 1.146 219 K CA -0.290 55.971 56.287 -0.043 0.000 1.070 219 K CB 0.930 33.426 32.500 -0.006 0.000 0.908 219 K HN 0.031 nan 8.250 nan 0.000 0.463 220 G N 1.874 110.574 108.800 -0.168 0.000 2.451 220 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.296 220 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.296 220 G C 0.473 175.318 174.900 -0.092 0.000 0.922 220 G CA 0.782 45.771 45.100 -0.185 0.000 1.074 220 G HN 0.546 nan 8.290 nan 0.000 0.509 221 E N -1.557 118.611 120.200 -0.053 0.000 2.244 221 E HA 0.070 4.420 4.350 -0.000 0.000 0.196 221 E C 1.128 177.747 176.600 0.031 0.000 0.939 221 E CA 0.682 57.082 56.400 -0.001 0.000 0.884 221 E CB 0.559 30.269 29.700 0.017 0.000 0.850 221 E HN 0.358 nan 8.360 nan 0.000 0.481 222 T N -1.223 113.372 114.554 0.069 0.000 2.887 222 T HA 0.479 4.829 4.350 -0.000 0.000 0.288 222 T C 0.544 175.348 174.700 0.174 0.000 1.021 222 T CA 0.015 62.190 62.100 0.125 0.000 1.000 222 T CB 1.733 70.699 68.868 0.164 0.000 1.034 222 T HN 0.028 nan 8.240 nan 0.000 0.467 223 A N 4.292 127.212 122.820 0.167 0.000 1.929 223 A HA 0.310 4.630 4.320 -0.000 0.000 0.216 223 A C 0.878 178.699 177.584 0.395 0.000 1.176 223 A CA 0.996 53.153 52.037 0.200 0.000 0.628 223 A CB -0.261 18.819 19.000 0.133 0.000 0.816 223 A HN 0.752 nan 8.150 nan 0.000 0.444 224 M N -1.883 117.912 119.600 0.324 0.000 2.572 224 M HA 0.485 4.964 4.480 -0.000 0.000 0.299 224 M C -0.601 175.749 176.300 0.083 0.000 1.205 224 M CA -0.233 55.195 55.300 0.214 0.000 0.876 224 M CB 2.517 35.161 32.600 0.073 0.000 1.728 224 M HN 0.066 nan 8.290 nan 0.000 0.458 225 T N 0.973 115.394 114.554 -0.222 0.000 2.883 225 T HA 0.782 5.131 4.350 -0.000 0.000 0.296 225 T C -1.748 172.851 174.700 -0.168 0.000 1.117 225 T CA -0.489 61.516 62.100 -0.160 0.000 1.006 225 T CB 1.458 70.152 68.868 -0.291 0.000 1.191 225 T HN 0.458 nan 8.240 nan 0.000 0.508 226 I N 4.190 124.732 120.570 -0.047 0.000 2.378 226 I HA 0.598 4.767 4.170 -0.000 0.000 0.291 226 I C 0.110 176.270 176.117 0.072 0.000 0.992 226 I CA -0.235 61.019 61.300 -0.078 0.000 1.154 226 I CB 1.477 39.338 38.000 -0.232 0.000 1.315 226 I HN 0.479 nan 8.210 nan 0.000 0.448 227 N N 3.096 121.778 118.700 -0.030 0.000 3.127 227 N HA 0.498 5.237 4.740 -0.000 0.000 0.239 227 N C -1.069 174.230 175.510 -0.351 0.000 1.407 227 N CA -0.463 52.556 53.050 -0.052 0.000 0.891 227 N CB 2.260 40.720 38.487 -0.044 0.000 1.447 227 N HN 0.610 nan 8.380 nan 0.000 0.507 228 G N 0.679 108.899 108.800 -0.967 0.000 2.461 228 G HA2 0.487 4.447 3.960 -0.000 0.000 0.329 228 G HA3 0.487 4.447 3.960 -0.000 0.000 0.329 228 G C -1.761 172.058 174.900 -1.802 0.000 1.170 228 G CA -1.267 42.956 45.100 -1.461 0.000 0.935 228 G HN 0.322 nan 8.290 nan 0.000 0.492 229 P HA -0.263 nan 4.420 nan 0.000 0.225 229 P C 1.590 178.130 177.300 -1.266 0.000 1.154 229 P CA 2.611 64.627 63.100 -1.807 0.000 0.933 229 P CB -0.190 30.857 31.700 -1.090 0.000 0.790 230 W N -0.542 120.474 121.300 -0.474 0.000 2.361 230 W HA -0.084 4.575 4.660 -0.000 0.000 0.270 230 W C 1.764 178.200 176.519 -0.138 0.000 1.210 230 W CA 1.101 58.295 57.345 -0.253 0.000 1.174 230 W CB -1.942 27.421 29.460 -0.162 0.000 1.131 230 W HN -0.057 nan 8.180 nan 0.000 0.575 231 A N -0.652 121.861 122.820 -0.511 0.000 2.147 231 A HA 0.113 4.433 4.320 -0.000 0.000 0.211 231 A C 1.576 179.201 177.584 0.068 0.000 1.160 231 A CA 0.573 52.535 52.037 -0.125 0.000 0.781 231 A CB -0.998 17.894 19.000 -0.180 0.000 0.842 231 A HN 0.344 nan 8.150 nan 0.000 0.475 232 W N 1.533 122.755 121.300 -0.130 0.000 2.315 232 W HA -0.251 4.409 4.660 -0.000 0.000 0.323 232 W C 2.851 179.382 176.519 0.019 0.000 1.233 232 W CA 1.509 58.801 57.345 -0.088 0.000 1.267 232 W CB -1.679 27.770 29.460 -0.018 0.000 1.160 232 W HN 0.540 nan 8.180 nan 0.000 0.474 233 S N 0.547 116.415 115.700 0.281 0.000 2.421 233 S HA -0.305 4.165 4.470 -0.000 0.000 0.239 233 S C 1.623 176.321 174.600 0.162 0.000 1.054 233 S CA 1.939 60.256 58.200 0.196 0.000 1.035 233 S CB -0.749 62.537 63.200 0.143 0.000 0.840 233 S HN 0.248 nan 8.310 nan 0.000 0.475 234 N N 1.279 120.073 118.700 0.155 0.000 2.395 234 N HA 0.275 5.015 4.740 -0.000 0.000 0.175 234 N C 1.604 177.199 175.510 0.141 0.000 1.029 234 N CA 1.055 54.187 53.050 0.137 0.000 0.897 234 N CB -0.360 38.211 38.487 0.139 0.000 0.991 234 N HN 0.577 nan 8.380 nan 0.000 0.441 235 I N 0.701 121.361 120.570 0.149 0.000 2.353 235 I HA -0.164 4.006 4.170 -0.000 0.000 0.248 235 I C 1.402 177.656 176.117 0.227 0.000 1.119 235 I CA 0.819 62.214 61.300 0.158 0.000 1.417 235 I CB -0.227 37.779 38.000 0.011 0.000 1.078 235 I HN -0.112 nan 8.210 nan 0.000 0.421 236 D N 1.018 121.575 120.400 0.260 0.000 2.106 236 D HA -0.190 4.449 4.640 -0.000 0.000 0.191 236 D C 2.234 178.613 176.300 0.133 0.000 0.997 236 D CA 1.935 56.068 54.000 0.223 0.000 0.834 236 D CB -0.729 40.190 40.800 0.198 0.000 0.956 236 D HN 0.224 nan 8.370 nan 0.000 0.448 237 T N 0.349 114.972 114.554 0.115 0.000 2.665 237 T HA -0.192 4.158 4.350 -0.000 0.000 0.268 237 T C 2.061 176.802 174.700 0.068 0.000 1.035 237 T CA 2.189 64.337 62.100 0.081 0.000 1.151 237 T CB -0.483 68.431 68.868 0.077 0.000 0.862 237 T HN 0.305 nan 8.240 nan 0.000 0.438 238 S N 0.942 116.690 115.700 0.079 0.000 2.465 238 S HA -0.146 4.323 4.470 -0.000 0.000 0.241 238 S C 1.159 175.779 174.600 0.034 0.000 1.000 238 S CA 1.157 59.390 58.200 0.055 0.000 0.964 238 S CB -0.370 62.867 63.200 0.062 0.000 0.763 238 S HN 0.490 nan 8.310 nan 0.000 0.512 239 K N -1.098 119.328 120.400 0.043 0.000 3.547 239 K HA -0.123 4.197 4.320 -0.000 0.000 0.309 239 K C -0.143 176.454 176.600 -0.005 0.000 1.324 239 K CA 0.849 57.144 56.287 0.014 0.000 0.988 239 K CB -2.619 29.880 32.500 -0.002 0.000 1.261 239 K HN 0.461 nan 8.250 nan 0.000 0.444 240 V N 2.733 122.652 119.914 0.007 0.000 2.529 240 V HA -0.017 4.103 4.120 -0.000 0.000 0.292 240 V C 0.885 176.967 176.094 -0.019 0.000 1.028 240 V CA -0.134 62.137 62.300 -0.049 0.000 1.074 240 V CB 0.915 32.651 31.823 -0.145 0.000 0.958 240 V HN 0.224 nan 8.190 nan 0.000 0.481 241 N N 5.797 124.444 118.700 -0.088 0.000 2.406 241 N HA 0.144 4.883 4.740 -0.000 0.000 0.265 241 N C -0.790 174.656 175.510 -0.107 0.000 1.203 241 N CA 0.031 53.006 53.050 -0.125 0.000 0.945 241 N CB -0.084 38.326 38.487 -0.128 0.000 1.165 241 N HN 0.619 nan 8.380 nan 0.000 0.485 242 Y N 0.783 120.983 120.300 -0.167 0.000 2.602 242 Y HA 0.884 5.434 4.550 -0.000 0.000 0.342 242 Y C 0.099 175.814 175.900 -0.309 0.000 1.029 242 Y CA -1.292 56.703 58.100 -0.176 0.000 1.080 242 Y CB 1.141 39.625 38.460 0.040 0.000 1.284 242 Y HN 0.342 nan 8.280 nan 0.000 0.485 243 G N 0.541 109.248 108.800 -0.156 0.000 2.694 243 G HA2 0.622 4.582 3.960 -0.000 0.000 0.290 243 G HA3 0.622 4.582 3.960 -0.000 0.000 0.290 243 G C -2.299 172.667 174.900 0.110 0.000 1.386 243 G CA -1.094 43.873 45.100 -0.222 0.000 0.872 243 G HN 0.709 nan 8.290 nan 0.000 0.475 244 V N -0.393 119.646 119.914 0.207 0.000 2.760 244 V HA 0.866 4.985 4.120 -0.000 0.000 0.309 244 V C -0.081 176.110 176.094 0.162 0.000 1.077 244 V CA -0.242 62.160 62.300 0.171 0.000 0.910 244 V CB 2.109 33.916 31.823 -0.027 0.000 1.008 244 V HN 1.156 nan 8.190 nan 0.000 0.424 245 T N 2.264 116.870 114.554 0.087 0.000 2.711 245 T HA 0.454 4.804 4.350 -0.000 0.000 0.302 245 T C -0.932 173.735 174.700 -0.054 0.000 1.373 245 T CA -0.148 61.948 62.100 -0.006 0.000 1.000 245 T CB 1.714 70.525 68.868 -0.096 0.000 1.483 245 T HN 0.627 nan 8.240 nan 0.000 0.499 246 V N 2.337 122.207 119.914 -0.074 0.000 3.061 246 V HA 0.256 4.376 4.120 -0.000 0.000 0.306 246 V C 0.111 176.134 176.094 -0.117 0.000 1.118 246 V CA 0.362 62.612 62.300 -0.082 0.000 1.231 246 V CB 0.029 31.805 31.823 -0.079 0.000 0.956 246 V HN 0.698 nan 8.190 nan 0.000 0.499 247 L N 8.478 129.645 121.223 -0.094 0.000 2.349 247 L HA 0.384 4.724 4.340 -0.000 0.000 0.275 247 L C -1.869 174.939 176.870 -0.102 0.000 1.115 247 L CA -1.636 53.139 54.840 -0.109 0.000 0.820 247 L CB 1.148 43.188 42.059 -0.032 0.000 1.135 247 L HN 0.568 nan 8.230 nan 0.000 0.445 248 P HA -0.003 nan 4.420 nan 0.000 0.265 248 P C -0.391 176.940 177.300 0.052 0.000 1.193 248 P CA -0.317 62.645 63.100 -0.230 0.000 0.765 248 P CB 0.195 31.527 31.700 -0.613 0.000 0.823 249 T N 0.770 115.368 114.554 0.073 0.000 2.940 249 T HA 0.271 4.620 4.350 -0.000 0.000 0.309 249 T C -0.322 174.576 174.700 0.330 0.000 1.056 249 T CA -0.330 61.859 62.100 0.148 0.000 1.137 249 T CB -0.016 68.874 68.868 0.037 0.000 0.976 249 T HN 0.312 nan 8.240 nan 0.000 0.547 250 F N 2.303 122.301 119.950 0.080 0.000 2.449 250 F HA 0.477 5.004 4.527 -0.000 0.000 0.342 250 F C 0.619 176.355 175.800 -0.106 0.000 1.127 250 F CA -1.186 56.756 58.000 -0.098 0.000 0.975 250 F CB 1.128 39.845 39.000 -0.472 0.000 1.146 250 F HN 0.861 nan 8.300 nan 0.000 0.444 251 K N 4.889 124.820 120.400 -0.782 0.000 3.077 251 K HA -0.201 4.119 4.320 -0.000 0.000 0.264 251 K C 0.955 177.397 176.600 -0.264 0.000 1.008 251 K CA 0.792 56.722 56.287 -0.595 0.000 0.740 251 K CB -1.591 30.424 32.500 -0.808 0.000 1.273 251 K HN 1.408 nan 8.250 nan 0.000 0.477 252 G N -0.593 108.113 108.800 -0.156 0.000 2.196 252 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.268 252 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.268 252 G C 0.010 174.876 174.900 -0.058 0.000 0.975 252 G CA 0.848 45.898 45.100 -0.083 0.000 0.648 252 G HN 0.364 nan 8.290 nan 0.000 0.538 253 Q N 0.966 120.731 119.800 -0.057 0.000 2.259 253 Q HA 0.423 4.763 4.340 -0.000 0.000 0.246 253 Q C -2.255 173.751 176.000 0.010 0.000 0.920 253 Q CA -2.011 53.778 55.803 -0.024 0.000 0.895 253 Q CB 1.473 30.203 28.738 -0.013 0.000 1.220 253 Q HN 0.320 nan 8.270 nan 0.000 0.439 254 P HA 0.032 nan 4.420 nan 0.000 0.271 254 P C -0.475 176.820 177.300 -0.009 0.000 1.216 254 P CA -0.011 63.083 63.100 -0.010 0.000 0.776 254 P CB 0.655 32.331 31.700 -0.041 0.000 0.881 255 S N 2.267 117.978 115.700 0.019 0.000 2.564 255 S HA 0.113 4.583 4.470 -0.000 0.000 0.278 255 S C 0.398 174.944 174.600 -0.090 0.000 1.333 255 S CA -0.233 57.952 58.200 -0.024 0.000 1.048 255 S CB 0.001 63.247 63.200 0.077 0.000 0.900 255 S HN 0.286 nan 8.310 nan 0.000 0.505 256 K N 3.830 124.128 120.400 -0.170 0.000 2.419 256 K HA 0.304 4.624 4.320 -0.000 0.000 0.244 256 K C -2.604 173.870 176.600 -0.209 0.000 1.045 256 K CA -1.704 54.478 56.287 -0.176 0.000 1.004 256 K CB 1.131 33.525 32.500 -0.178 0.000 1.376 256 K HN 0.397 nan 8.250 nan 0.000 0.460 257 P HA 0.194 nan 4.420 nan 0.000 0.279 257 P C -0.649 176.610 177.300 -0.068 0.000 1.252 257 P CA -0.591 62.449 63.100 -0.101 0.000 0.811 257 P CB 0.657 32.330 31.700 -0.045 0.000 1.035 258 F N 0.358 120.287 119.950 -0.034 0.000 2.467 258 F HA 0.132 4.659 4.527 -0.000 0.000 0.362 258 F C 0.566 176.377 175.800 0.018 0.000 1.090 258 F CA -0.121 57.856 58.000 -0.038 0.000 1.202 258 F CB 0.454 39.347 39.000 -0.179 0.000 1.113 258 F HN -0.061 nan 8.300 nan 0.000 0.541 259 V N 4.094 124.223 119.914 0.359 0.000 2.370 259 V HA 0.574 4.694 4.120 -0.000 0.000 0.279 259 V C 0.517 176.822 176.094 0.351 0.000 1.029 259 V CA -0.751 61.720 62.300 0.285 0.000 0.870 259 V CB 0.967 32.926 31.823 0.226 0.000 0.984 259 V HN 0.864 nan 8.190 nan 0.000 0.451 260 G N 3.382 112.379 108.800 0.328 0.000 2.389 260 G HA2 0.620 4.580 3.960 -0.000 0.000 0.328 260 G HA3 0.620 4.580 3.960 -0.000 0.000 0.328 260 G C -1.134 173.924 174.900 0.264 0.000 1.133 260 G CA -0.460 44.845 45.100 0.341 0.000 0.891 260 G HN 0.564 nan 8.290 nan 0.000 0.485 261 V N 3.142 123.285 119.914 0.382 0.000 2.524 261 V HA 0.208 4.328 4.120 -0.000 0.000 0.297 261 V C -0.389 175.744 176.094 0.066 0.000 1.035 261 V CA -0.841 61.546 62.300 0.144 0.000 0.867 261 V CB 1.501 33.305 31.823 -0.031 0.000 1.004 261 V HN 0.743 nan 8.190 nan 0.000 0.426 262 L N 4.842 126.072 121.223 0.012 0.000 2.499 262 L HA 0.480 4.820 4.340 -0.000 0.000 0.273 262 L C 0.311 177.197 176.870 0.026 0.000 1.195 262 L CA 1.222 56.065 54.840 0.005 0.000 0.882 262 L CB 0.733 42.827 42.059 0.058 0.000 1.133 262 L HN 0.781 nan 8.230 nan 0.000 0.483 263 S N 2.803 118.494 115.700 -0.014 0.000 2.564 263 S HA 0.873 5.342 4.470 -0.000 0.000 0.274 263 S C -0.974 173.648 174.600 0.038 0.000 1.124 263 S CA -0.344 57.844 58.200 -0.021 0.000 0.869 263 S CB 1.861 64.951 63.200 -0.184 0.000 1.105 263 S HN 0.879 nan 8.310 nan 0.000 0.472 264 A N 1.524 124.357 122.820 0.021 0.000 2.328 264 A HA 0.743 5.063 4.320 -0.000 0.000 0.318 264 A C 0.276 177.921 177.584 0.101 0.000 1.347 264 A CA -0.524 51.342 52.037 -0.286 0.000 0.842 264 A CB 0.106 18.755 19.000 -0.586 0.000 1.148 264 A HN 0.868 nan 8.150 nan 0.000 0.499 265 G N 0.973 109.842 108.800 0.115 0.000 2.451 265 G HA2 0.579 4.539 3.960 -0.000 0.000 0.303 265 G HA3 0.579 4.539 3.960 -0.000 0.000 0.303 265 G C -0.529 174.335 174.900 -0.061 0.000 1.166 265 G CA -0.578 44.510 45.100 -0.021 0.000 0.884 265 G HN 0.648 nan 8.290 nan 0.000 0.514 266 I N 1.373 121.927 120.570 -0.026 0.000 2.362 266 I HA 0.135 4.305 4.170 -0.000 0.000 0.289 266 I C -0.014 176.085 176.117 -0.030 0.000 0.994 266 I CA -0.950 60.346 61.300 -0.007 0.000 1.158 266 I CB 1.645 39.677 38.000 0.053 0.000 1.315 266 I HN 0.323 nan 8.210 nan 0.000 0.451 267 N N 4.626 123.309 118.700 -0.029 0.000 2.365 267 N HA -0.029 4.710 4.740 -0.000 0.000 0.265 267 N C 1.034 176.508 175.510 -0.060 0.000 1.288 267 N CA 0.400 53.427 53.050 -0.037 0.000 0.869 267 N CB 1.306 39.733 38.487 -0.099 0.000 1.071 267 N HN 0.803 nan 8.380 nan 0.000 0.480 268 A N 3.729 126.512 122.820 -0.063 0.000 2.131 268 A HA -0.069 4.251 4.320 -0.000 0.000 0.220 268 A C 1.574 179.117 177.584 -0.067 0.000 1.158 268 A CA 1.720 53.725 52.037 -0.054 0.000 0.665 268 A CB -0.295 18.676 19.000 -0.048 0.000 0.795 268 A HN 0.729 nan 8.150 nan 0.000 0.460 269 A N -1.153 121.607 122.820 -0.100 0.000 2.460 269 A HA 0.625 4.945 4.320 -0.000 0.000 0.258 269 A C 1.046 178.575 177.584 -0.093 0.000 1.300 269 A CA 0.647 52.621 52.037 -0.104 0.000 0.913 269 A CB -0.930 17.985 19.000 -0.142 0.000 1.031 269 A HN 0.716 nan 8.150 nan 0.000 0.512 270 S N 1.517 117.171 115.700 -0.077 0.000 2.465 270 S HA 0.508 4.978 4.470 -0.000 0.000 0.279 270 S C -0.672 173.903 174.600 -0.042 0.000 1.201 270 S CA -1.641 56.519 58.200 -0.066 0.000 1.053 270 S CB 0.275 63.440 63.200 -0.058 0.000 0.953 270 S HN 0.116 nan 8.310 nan 0.000 0.488 271 P HA -0.131 nan 4.420 nan 0.000 0.216 271 P C 0.114 177.407 177.300 -0.010 0.000 1.150 271 P CA 1.055 64.141 63.100 -0.024 0.000 0.843 271 P CB 0.043 31.728 31.700 -0.025 0.000 0.787 272 N N -0.159 118.533 118.700 -0.013 0.000 2.346 272 N HA 0.055 4.794 4.740 -0.000 0.000 0.225 272 N C 1.195 176.713 175.510 0.015 0.000 1.144 272 N CA -0.037 53.015 53.050 0.004 0.000 0.837 272 N CB -0.039 38.445 38.487 -0.006 0.000 1.069 272 N HN 0.264 nan 8.380 nan 0.000 0.487 273 K N 0.756 121.164 120.400 0.013 0.000 2.144 273 K HA -0.229 4.090 4.320 -0.000 0.000 0.209 273 K C 1.575 178.206 176.600 0.052 0.000 1.047 273 K CA 1.418 57.723 56.287 0.029 0.000 0.927 273 K CB 0.221 32.734 32.500 0.022 0.000 0.716 273 K HN 0.067 nan 8.250 nan 0.000 0.454 274 E N 0.765 120.996 120.200 0.052 0.000 2.086 274 E HA -0.026 4.324 4.350 -0.000 0.000 0.190 274 E C 1.794 178.452 176.600 0.097 0.000 0.975 274 E CA 0.783 57.223 56.400 0.068 0.000 0.813 274 E CB -0.033 29.701 29.700 0.057 0.000 0.768 274 E HN 0.203 nan 8.360 nan 0.000 0.457 275 L N -0.132 121.154 121.223 0.105 0.000 2.056 275 L HA -0.096 4.244 4.340 -0.000 0.000 0.207 275 L C 2.493 179.443 176.870 0.133 0.000 1.078 275 L CA 1.173 56.113 54.840 0.166 0.000 0.749 275 L CB -0.729 41.427 42.059 0.162 0.000 0.901 275 L HN 0.136 nan 8.230 nan 0.000 0.433 276 A N 0.913 123.770 122.820 0.062 0.000 1.858 276 A HA -0.279 4.041 4.320 -0.000 0.000 0.216 276 A C 2.385 180.030 177.584 0.102 0.000 1.190 276 A CA 2.153 54.214 52.037 0.040 0.000 0.617 276 A CB -0.588 18.425 19.000 0.022 0.000 0.827 276 A HN 0.396 nan 8.150 nan 0.000 0.443 277 K N -0.123 120.339 120.400 0.103 0.000 2.052 277 K HA -0.314 4.006 4.320 -0.000 0.000 0.215 277 K C 1.945 178.558 176.600 0.022 0.000 1.053 277 K CA 2.335 58.668 56.287 0.077 0.000 0.934 277 K CB -0.267 32.305 32.500 0.119 0.000 0.717 277 K HN 0.388 nan 8.250 nan 0.000 0.450 278 E N 0.217 120.487 120.200 0.118 0.000 2.058 278 E HA -0.225 4.125 4.350 -0.000 0.000 0.194 278 E C 1.784 178.572 176.600 0.313 0.000 0.997 278 E CA 1.798 58.322 56.400 0.207 0.000 0.801 278 E CB -0.535 29.343 29.700 0.297 0.000 0.746 278 E HN 0.487 nan 8.360 nan 0.000 0.450 279 F N 0.245 120.236 119.950 0.068 0.000 2.134 279 F HA -0.109 4.418 4.527 -0.000 0.000 0.299 279 F C 1.840 177.653 175.800 0.021 0.000 1.097 279 F CA 1.537 59.474 58.000 -0.106 0.000 1.264 279 F CB -0.108 38.539 39.000 -0.587 0.000 1.001 279 F HN 0.062 nan 8.300 nan 0.000 0.479 280 L N -0.155 121.049 121.223 -0.031 0.000 2.095 280 L HA -0.107 4.233 4.340 -0.000 0.000 0.204 280 L C 2.451 179.146 176.870 -0.290 0.000 1.080 280 L CA 1.249 55.963 54.840 -0.211 0.000 0.759 280 L CB -0.662 41.184 42.059 -0.355 0.000 0.914 280 L HN 0.119 nan 8.230 nan 0.000 0.439 281 E N 0.098 120.094 120.200 -0.339 0.000 2.028 281 E HA -0.130 4.220 4.350 -0.000 0.000 0.190 281 E C 1.510 178.033 176.600 -0.128 0.000 0.984 281 E CA 1.002 57.189 56.400 -0.355 0.000 0.800 281 E CB -0.015 29.343 29.700 -0.571 0.000 0.758 281 E HN 0.519 nan 8.360 nan 0.000 0.448 282 N N -0.991 117.659 118.700 -0.083 0.000 2.373 282 N HA 0.006 4.745 4.740 -0.000 0.000 0.181 282 N C 0.693 175.984 175.510 -0.366 0.000 1.082 282 N CA 0.527 53.485 53.050 -0.153 0.000 0.885 282 N CB 0.515 38.932 38.487 -0.118 0.000 0.977 282 N HN 0.184 nan 8.380 nan 0.000 0.462 283 Y N -0.444 119.761 120.300 -0.160 0.000 2.784 283 Y HA 0.159 4.709 4.550 -0.000 0.000 0.267 283 Y C 1.780 177.498 175.900 -0.304 0.000 1.117 283 Y CA -0.301 57.670 58.100 -0.215 0.000 1.231 283 Y CB -0.117 38.203 38.460 -0.234 0.000 1.441 283 Y HN -0.150 nan 8.280 nan 0.000 0.469 284 L N 0.075 121.113 121.223 -0.309 0.000 2.084 284 L HA 0.134 4.474 4.340 -0.000 0.000 0.202 284 L C 0.985 177.824 176.870 -0.053 0.000 1.074 284 L CA 1.617 56.325 54.840 -0.220 0.000 0.757 284 L CB -0.430 41.491 42.059 -0.230 0.000 0.918 284 L HN 0.134 nan 8.230 nan 0.000 0.444 285 L N 1.384 122.601 121.223 -0.009 0.000 2.974 285 L HA 0.096 4.436 4.340 -0.000 0.000 0.250 285 L C -0.017 176.887 176.870 0.056 0.000 1.376 285 L CA 0.006 54.892 54.840 0.078 0.000 1.170 285 L CB -1.332 40.843 42.059 0.193 0.000 1.577 285 L HN 0.465 nan 8.230 nan 0.000 0.429 286 T N -6.774 107.774 114.554 -0.011 0.000 2.924 286 T HA 0.225 4.575 4.350 -0.000 0.000 0.291 286 T C 0.843 175.479 174.700 -0.107 0.000 1.045 286 T CA -0.906 61.165 62.100 -0.048 0.000 1.015 286 T CB 1.934 70.752 68.868 -0.082 0.000 1.103 286 T HN 0.006 nan 8.240 nan 0.000 0.496 287 D N 0.458 120.769 120.400 -0.148 0.000 2.158 287 D HA -0.123 4.517 4.640 -0.000 0.000 0.197 287 D C 1.412 177.445 176.300 -0.444 0.000 0.995 287 D CA 1.524 55.322 54.000 -0.337 0.000 0.846 287 D CB 0.236 40.894 40.800 -0.237 0.000 0.941 287 D HN 0.604 nan 8.370 nan 0.000 0.456 288 E N -0.188 119.869 120.200 -0.239 0.000 2.250 288 E HA 0.046 4.396 4.350 -0.000 0.000 0.192 288 E C 1.985 178.508 176.600 -0.128 0.000 0.986 288 E CA 0.392 56.683 56.400 -0.181 0.000 0.849 288 E CB -0.446 29.191 29.700 -0.104 0.000 0.797 288 E HN 0.251 nan 8.360 nan 0.000 0.482 289 G N 0.703 109.441 108.800 -0.104 0.000 2.433 289 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.216 289 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.216 289 G C 1.508 176.378 174.900 -0.049 0.000 1.186 289 G CA 0.658 45.720 45.100 -0.063 0.000 0.779 289 G HN 0.188 nan 8.290 nan 0.000 0.543 290 L N -0.042 121.141 121.223 -0.067 0.000 2.044 290 L HA 0.036 4.376 4.340 -0.000 0.000 0.205 290 L C 2.729 179.619 176.870 0.034 0.000 1.075 290 L CA 1.250 56.112 54.840 0.037 0.000 0.747 290 L CB -0.512 41.662 42.059 0.192 0.000 0.903 290 L HN 0.316 nan 8.230 nan 0.000 0.435 291 E N 0.618 120.632 120.200 -0.310 0.000 2.171 291 E HA -0.281 4.069 4.350 -0.000 0.000 0.197 291 E C 2.103 178.691 176.600 -0.020 0.000 0.997 291 E CA 1.266 57.554 56.400 -0.187 0.000 0.810 291 E CB 0.082 29.540 29.700 -0.405 0.000 0.738 291 E HN 0.483 nan 8.360 nan 0.000 0.467 292 A N 0.295 123.087 122.820 -0.047 0.000 1.841 292 A HA -0.135 4.185 4.320 -0.000 0.000 0.214 292 A C 2.401 179.983 177.584 -0.003 0.000 1.195 292 A CA 1.547 53.572 52.037 -0.019 0.000 0.611 292 A CB -0.747 18.241 19.000 -0.019 0.000 0.835 292 A HN 0.202 nan 8.150 nan 0.000 0.443 293 V N 0.672 120.589 119.914 0.005 0.000 2.295 293 V HA -0.300 3.820 4.120 -0.000 0.000 0.246 293 V C 2.340 178.445 176.094 0.018 0.000 1.049 293 V CA 2.366 64.663 62.300 -0.005 0.000 1.024 293 V CB -1.333 30.489 31.823 -0.002 0.000 0.648 293 V HN 0.744 nan 8.190 nan 0.000 0.447 294 N N -0.131 118.613 118.700 0.074 0.000 2.192 294 N HA -0.236 4.504 4.740 -0.000 0.000 0.188 294 N C 1.871 177.424 175.510 0.072 0.000 1.013 294 N CA 1.397 54.508 53.050 0.102 0.000 0.863 294 N CB -0.128 38.485 38.487 0.211 0.000 0.990 294 N HN 0.434 nan 8.380 nan 0.000 0.430 295 K N -0.112 120.321 120.400 0.054 0.000 2.057 295 K HA -0.158 4.162 4.320 -0.000 0.000 0.207 295 K C 1.357 177.961 176.600 0.007 0.000 1.049 295 K CA 1.380 57.687 56.287 0.033 0.000 0.931 295 K CB -0.114 32.398 32.500 0.019 0.000 0.714 295 K HN 0.249 nan 8.250 nan 0.000 0.440 296 D N 0.533 120.920 120.400 -0.022 0.000 2.084 296 D HA -0.073 4.567 4.640 -0.000 0.000 0.196 296 D C -0.056 176.225 176.300 -0.031 0.000 0.985 296 D CA 1.368 55.334 54.000 -0.056 0.000 0.826 296 D CB 0.318 41.044 40.800 -0.124 0.000 0.978 296 D HN -0.160 nan 8.370 nan 0.000 0.456 297 K N -0.207 120.184 120.400 -0.015 0.000 2.565 297 K HA 0.350 4.670 4.320 -0.000 0.000 0.249 297 K C -2.671 173.942 176.600 0.021 0.000 0.958 297 K CA -2.064 54.227 56.287 0.006 0.000 0.806 297 K CB 2.448 34.947 32.500 -0.000 0.000 1.194 297 K HN -0.146 nan 8.250 nan 0.000 0.434 298 P HA -0.032 nan 4.420 nan 0.000 0.266 298 P C -0.007 177.311 177.300 0.029 0.000 1.193 298 P CA 0.136 63.269 63.100 0.054 0.000 0.770 298 P CB 0.688 32.438 31.700 0.084 0.000 0.836 299 L N 0.887 122.131 121.223 0.035 0.000 2.607 299 L HA 0.202 4.542 4.340 -0.000 0.000 0.228 299 L C 1.598 178.465 176.870 -0.005 0.000 1.123 299 L CA 0.485 55.337 54.840 0.020 0.000 0.890 299 L CB -0.652 41.436 42.059 0.049 0.000 1.103 299 L HN 0.725 nan 8.230 nan 0.000 0.468 300 G N 0.894 109.680 108.800 -0.023 0.000 2.528 300 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.262 300 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.262 300 G C 0.086 174.997 174.900 0.018 0.000 1.200 300 G CA -0.201 44.874 45.100 -0.040 0.000 0.951 300 G HN 0.461 nan 8.290 nan 0.000 0.566 301 A N -0.451 122.384 122.820 0.025 0.000 2.351 301 A HA 0.754 5.074 4.320 -0.000 0.000 0.257 301 A C 0.871 178.463 177.584 0.014 0.000 1.087 301 A CA 0.635 52.682 52.037 0.017 0.000 0.798 301 A CB 0.628 19.644 19.000 0.026 0.000 1.033 301 A HN 2.313 nan 8.150 nan 0.000 0.488 302 V N -1.246 118.671 119.914 0.005 0.000 2.966 302 V HA 0.744 4.863 4.120 -0.000 0.000 0.317 302 V C 1.080 177.229 176.094 0.092 0.000 1.070 302 V CA -0.018 62.305 62.300 0.039 0.000 1.008 302 V CB 0.900 32.743 31.823 0.034 0.000 1.070 302 V HN 1.276 nan 8.190 nan 0.000 0.457 303 A N 1.729 124.578 122.820 0.049 0.000 1.930 303 A HA 0.202 4.522 4.320 -0.000 0.000 0.215 303 A C 1.164 178.716 177.584 -0.052 0.000 1.176 303 A CA 0.701 52.732 52.037 -0.010 0.000 0.632 303 A CB -0.491 18.423 19.000 -0.143 0.000 0.819 303 A HN 0.907 nan 8.150 nan 0.000 0.445 304 L N 1.020 122.220 121.223 -0.037 0.000 2.477 304 L HA 0.137 4.476 4.340 -0.000 0.000 0.272 304 L C 1.108 177.895 176.870 -0.137 0.000 1.157 304 L CA 0.322 55.102 54.840 -0.101 0.000 0.889 304 L CB 0.309 42.376 42.059 0.014 0.000 1.158 304 L HN 0.305 nan 8.230 nan 0.000 0.473 305 K N 1.792 121.950 120.400 -0.403 0.000 2.001 305 K HA -0.212 4.108 4.320 -0.000 0.000 0.214 305 K C 2.084 178.627 176.600 -0.096 0.000 1.050 305 K CA 1.958 57.961 56.287 -0.474 0.000 0.934 305 K CB -0.277 31.906 32.500 -0.528 0.000 0.718 305 K HN 0.923 nan 8.250 nan 0.000 0.443 306 S N 0.646 116.310 115.700 -0.060 0.000 2.368 306 S HA -0.282 4.188 4.470 -0.000 0.000 0.226 306 S C 2.087 176.767 174.600 0.134 0.000 1.044 306 S CA 1.653 59.870 58.200 0.029 0.000 1.062 306 S CB -0.791 62.420 63.200 0.018 0.000 0.931 306 S HN 0.399 nan 8.310 nan 0.000 0.440 307 Y N 2.414 122.709 120.300 -0.009 0.000 2.457 307 Y HA 0.204 4.754 4.550 -0.000 0.000 0.292 307 Y C 2.340 178.274 175.900 0.055 0.000 1.125 307 Y CA 0.903 59.015 58.100 0.020 0.000 1.254 307 Y CB -0.669 37.801 38.460 0.015 0.000 1.012 307 Y HN 0.435 nan 8.280 nan 0.000 0.555 308 E N 0.742 120.962 120.200 0.034 0.000 2.051 308 E HA -0.200 4.150 4.350 -0.000 0.000 0.192 308 E C 1.869 178.483 176.600 0.023 0.000 0.991 308 E CA 2.043 58.455 56.400 0.021 0.000 0.799 308 E CB -0.159 29.713 29.700 0.287 0.000 0.748 308 E HN 0.589 nan 8.360 nan 0.000 0.449 309 E N 0.217 120.466 120.200 0.082 0.000 2.058 309 E HA -0.243 4.107 4.350 -0.000 0.000 0.194 309 E C 2.131 178.758 176.600 0.046 0.000 0.997 309 E CA 1.431 57.873 56.400 0.071 0.000 0.801 309 E CB -0.176 29.571 29.700 0.078 0.000 0.746 309 E HN 0.389 nan 8.360 nan 0.000 0.450 310 E N 0.500 120.740 120.200 0.067 0.000 2.110 310 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 310 E C 1.967 178.574 176.600 0.013 0.000 0.988 310 E CA 0.676 57.126 56.400 0.084 0.000 0.804 310 E CB 0.067 29.895 29.700 0.214 0.000 0.745 310 E HN 0.199 nan 8.360 nan 0.000 0.458 311 L N -0.143 121.005 121.223 -0.125 0.000 2.179 311 L HA 0.010 4.350 4.340 -0.000 0.000 0.208 311 L C 2.380 179.207 176.870 -0.071 0.000 1.096 311 L CA 0.636 55.369 54.840 -0.179 0.000 0.779 311 L CB -0.192 41.616 42.059 -0.419 0.000 0.922 311 L HN 0.187 nan 8.230 nan 0.000 0.443 312 A N 0.149 122.945 122.820 -0.040 0.000 2.084 312 A HA -0.236 4.084 4.320 -0.000 0.000 0.221 312 A C 2.023 179.606 177.584 -0.002 0.000 1.161 312 A CA 1.407 53.440 52.037 -0.007 0.000 0.653 312 A CB -0.426 18.582 19.000 0.014 0.000 0.802 312 A HN 0.362 nan 8.150 nan 0.000 0.457 313 K N 0.147 120.546 120.400 -0.002 0.000 2.589 313 K HA -0.093 4.227 4.320 -0.000 0.000 0.195 313 K C -0.092 176.502 176.600 -0.011 0.000 1.040 313 K CA 0.599 56.885 56.287 -0.001 0.000 0.950 313 K CB -0.099 32.405 32.500 0.006 0.000 0.781 313 K HN 0.371 nan 8.250 nan 0.000 0.486 314 D N 0.676 121.070 120.400 -0.011 0.000 2.347 314 D HA 0.076 4.716 4.640 -0.000 0.000 0.235 314 D C -1.697 174.585 176.300 -0.031 0.000 1.149 314 D CA -2.648 51.336 54.000 -0.027 0.000 0.850 314 D CB 1.414 42.206 40.800 -0.013 0.000 1.061 314 D HN -0.166 nan 8.370 nan 0.000 0.487 315 P HA -0.206 nan 4.420 nan 0.000 0.218 315 P C 1.057 178.329 177.300 -0.046 0.000 1.150 315 P CA 1.270 64.346 63.100 -0.040 0.000 0.841 315 P CB 0.373 32.042 31.700 -0.051 0.000 0.784 316 R N -1.157 119.272 120.500 -0.118 0.000 2.073 316 R HA -0.010 4.329 4.340 -0.000 0.000 0.229 316 R C 2.391 178.720 176.300 0.049 0.000 1.120 316 R CA 0.915 56.897 56.100 -0.198 0.000 0.967 316 R CB -0.712 29.161 30.300 -0.711 0.000 0.862 316 R HN 0.160 nan 8.270 nan 0.000 0.436 317 I N 1.280 121.909 120.570 0.099 0.000 2.252 317 I HA -0.157 4.013 4.170 -0.000 0.000 0.245 317 I C 2.585 178.755 176.117 0.089 0.000 1.102 317 I CA 1.152 62.559 61.300 0.178 0.000 1.385 317 I CB -1.433 36.637 38.000 0.117 0.000 1.064 317 I HN 0.132 nan 8.210 nan 0.000 0.414 318 A N 1.207 124.051 122.820 0.039 0.000 1.884 318 A HA -0.261 4.058 4.320 -0.000 0.000 0.219 318 A C 2.603 180.196 177.584 0.015 0.000 1.197 318 A CA 2.743 54.788 52.037 0.014 0.000 0.637 318 A CB -1.036 17.966 19.000 0.002 0.000 0.827 318 A HN 0.426 nan 8.150 nan 0.000 0.450 319 A N -1.411 121.427 122.820 0.029 0.000 1.851 319 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 319 A C 2.324 179.932 177.584 0.040 0.000 1.195 319 A CA 2.566 54.619 52.037 0.027 0.000 0.622 319 A CB -1.574 17.451 19.000 0.040 0.000 0.831 319 A HN 0.460 nan 8.150 nan 0.000 0.444 320 T N -0.382 114.232 114.554 0.099 0.000 2.620 320 T HA -0.291 4.059 4.350 -0.000 0.000 0.267 320 T C 1.934 176.659 174.700 0.042 0.000 1.044 320 T CA 2.402 64.559 62.100 0.096 0.000 1.161 320 T CB -0.347 68.615 68.868 0.157 0.000 0.862 320 T HN 0.494 nan 8.240 nan 0.000 0.438 321 M N 1.177 120.790 119.600 0.022 0.000 2.132 321 M HA 0.007 4.486 4.480 -0.000 0.000 0.263 321 M C 2.091 178.352 176.300 -0.065 0.000 1.065 321 M CA 1.645 56.929 55.300 -0.026 0.000 1.122 321 M CB -0.508 32.047 32.600 -0.075 0.000 1.365 321 M HN 0.246 nan 8.290 nan 0.000 0.411 322 E N -0.367 119.799 120.200 -0.057 0.000 2.051 322 E HA -0.236 4.114 4.350 -0.000 0.000 0.192 322 E C 1.714 178.264 176.600 -0.083 0.000 0.991 322 E CA 1.326 57.682 56.400 -0.073 0.000 0.799 322 E CB -0.150 29.519 29.700 -0.051 0.000 0.748 322 E HN 0.576 nan 8.360 nan 0.000 0.449 323 N N 0.342 119.009 118.700 -0.055 0.000 2.166 323 N HA -0.142 4.598 4.740 -0.000 0.000 0.186 323 N C 1.655 177.120 175.510 -0.075 0.000 1.019 323 N CA 1.251 54.267 53.050 -0.057 0.000 0.856 323 N CB -0.268 38.203 38.487 -0.028 0.000 0.993 323 N HN 0.213 nan 8.380 nan 0.000 0.426 324 A N 0.653 123.438 122.820 -0.058 0.000 2.015 324 A HA -0.123 4.197 4.320 -0.000 0.000 0.219 324 A C 2.185 179.603 177.584 -0.276 0.000 1.163 324 A CA 1.091 53.095 52.037 -0.056 0.000 0.646 324 A CB -0.362 18.677 19.000 0.066 0.000 0.806 324 A HN 0.299 nan 8.150 nan 0.000 0.448 325 Q N -0.402 119.185 119.800 -0.354 0.000 2.083 325 Q HA -0.045 4.295 4.340 -0.000 0.000 0.198 325 Q C 1.776 177.549 176.000 -0.378 0.000 0.969 325 Q CA 1.406 56.860 55.803 -0.582 0.000 0.838 325 Q CB -0.079 28.436 28.738 -0.372 0.000 0.900 325 Q HN 0.590 nan 8.270 nan 0.000 0.436 326 K N -0.110 120.157 120.400 -0.222 0.000 2.515 326 K HA -0.007 4.313 4.320 -0.000 0.000 0.196 326 K C 0.701 177.217 176.600 -0.139 0.000 1.038 326 K CA 0.444 56.639 56.287 -0.153 0.000 0.967 326 K CB 0.141 32.578 32.500 -0.105 0.000 0.780 326 K HN 0.159 nan 8.250 nan 0.000 0.483 327 G N 1.328 110.035 108.800 -0.154 0.000 2.557 327 G HA2 0.210 4.170 3.960 -0.000 0.000 0.302 327 G HA3 0.210 4.170 3.960 -0.000 0.000 0.302 327 G C -1.064 173.790 174.900 -0.078 0.000 1.311 327 G CA -0.563 44.474 45.100 -0.105 0.000 1.030 327 G HN 0.220 nan 8.290 nan 0.000 0.509 328 E N -0.444 119.748 120.200 -0.015 0.000 2.199 328 E HA 0.433 4.782 4.350 -0.000 0.000 0.269 328 E C -0.103 176.629 176.600 0.219 0.000 0.899 328 E CA -0.909 55.540 56.400 0.082 0.000 0.772 328 E CB 1.597 31.355 29.700 0.098 0.000 1.155 328 E HN 0.255 nan 8.360 nan 0.000 0.408 329 I N 2.305 123.007 120.570 0.221 0.000 2.948 329 I HA -0.048 4.122 4.170 -0.000 0.000 0.290 329 I C 0.635 176.979 176.117 0.380 0.000 1.226 329 I CA 0.309 61.750 61.300 0.234 0.000 1.413 329 I CB -0.103 37.954 38.000 0.094 0.000 1.352 329 I HN 0.806 nan 8.210 nan 0.000 0.597 330 M N 6.452 126.272 119.600 0.367 0.000 2.080 330 M HA 0.351 4.831 4.480 -0.000 0.000 0.350 330 M C -2.404 173.992 176.300 0.160 0.000 1.173 330 M CA -1.569 53.816 55.300 0.141 0.000 1.052 330 M CB 1.209 33.760 32.600 -0.082 0.000 1.577 330 M HN 0.199 nan 8.290 nan 0.000 0.455 331 P HA -0.026 nan 4.420 nan 0.000 0.264 331 P C -0.995 176.244 177.300 -0.102 0.000 1.179 331 P CA 0.569 63.581 63.100 -0.148 0.000 0.763 331 P CB 0.125 31.462 31.700 -0.605 0.000 0.806 332 N N 2.037 120.750 118.700 0.022 0.000 2.321 332 N HA 0.163 4.903 4.740 -0.000 0.000 0.242 332 N C 0.472 175.995 175.510 0.021 0.000 1.141 332 N CA -0.419 52.653 53.050 0.036 0.000 0.864 332 N CB -0.191 38.393 38.487 0.160 0.000 1.100 332 N HN 0.340 nan 8.380 nan 0.000 0.510 333 I N -3.904 116.621 120.570 -0.076 0.000 3.078 333 I HA 0.492 4.662 4.170 -0.000 0.000 0.318 333 I C -1.595 174.472 176.117 -0.083 0.000 1.016 333 I CA -2.386 58.877 61.300 -0.061 0.000 1.130 333 I CB 0.769 38.640 38.000 -0.214 0.000 1.397 333 I HN -0.285 nan 8.210 nan 0.000 0.570 334 P HA -0.133 nan 4.420 nan 0.000 0.213 334 P C 1.287 178.552 177.300 -0.057 0.000 1.170 334 P CA 1.423 64.498 63.100 -0.042 0.000 0.898 334 P CB -0.003 31.685 31.700 -0.020 0.000 0.787 335 Q N -1.514 118.220 119.800 -0.111 0.000 2.290 335 Q HA -0.227 4.113 4.340 -0.000 0.000 0.211 335 Q C 2.094 178.103 176.000 0.015 0.000 0.991 335 Q CA 1.555 57.311 55.803 -0.078 0.000 0.893 335 Q CB -0.962 27.608 28.738 -0.280 0.000 0.913 335 Q HN 0.168 nan 8.270 nan 0.000 0.428 336 M N -0.157 119.394 119.600 -0.083 0.000 2.117 336 M HA -0.168 4.312 4.480 -0.000 0.000 0.262 336 M C 1.838 178.117 176.300 -0.036 0.000 1.065 336 M CA 1.949 57.157 55.300 -0.154 0.000 1.114 336 M CB -0.474 31.976 32.600 -0.249 0.000 1.361 336 M HN 0.308 nan 8.290 nan 0.000 0.408 337 S N -0.049 115.720 115.700 0.115 0.000 2.368 337 S HA -0.110 4.360 4.470 -0.000 0.000 0.225 337 S C 2.169 176.926 174.600 0.262 0.000 1.030 337 S CA 1.262 59.616 58.200 0.257 0.000 0.999 337 S CB -1.344 61.944 63.200 0.147 0.000 0.844 337 S HN 0.548 nan 8.310 nan 0.000 0.459 338 A N 1.787 124.711 122.820 0.174 0.000 1.858 338 A HA 0.012 4.331 4.320 -0.000 0.000 0.216 338 A C 1.949 179.667 177.584 0.224 0.000 1.190 338 A CA 1.549 53.691 52.037 0.175 0.000 0.617 338 A CB -1.288 17.786 19.000 0.124 0.000 0.827 338 A HN 0.551 nan 8.150 nan 0.000 0.443 339 F N -0.750 119.205 119.950 0.009 0.000 2.045 339 F HA -0.326 4.201 4.527 -0.000 0.000 0.297 339 F C 2.139 177.900 175.800 -0.065 0.000 1.114 339 F CA 2.322 60.245 58.000 -0.129 0.000 1.207 339 F CB -0.525 38.271 39.000 -0.340 0.000 0.964 339 F HN 0.444 nan 8.300 nan 0.000 0.486 340 W N -0.915 120.606 121.300 0.369 0.000 2.301 340 W HA -0.336 4.323 4.660 -0.000 0.000 0.325 340 W C 2.582 179.156 176.519 0.092 0.000 1.250 340 W CA 1.692 59.171 57.345 0.225 0.000 1.261 340 W CB -1.214 28.365 29.460 0.198 0.000 1.157 340 W HN 0.201 nan 8.180 nan 0.000 0.473 341 Y N 0.606 121.074 120.300 0.280 0.000 2.114 341 Y HA -0.335 4.215 4.550 -0.000 0.000 0.282 341 Y C 2.347 178.274 175.900 0.046 0.000 1.165 341 Y CA 2.435 60.617 58.100 0.137 0.000 1.148 341 Y CB -0.736 37.790 38.460 0.110 0.000 0.972 341 Y HN -0.050 nan 8.280 nan 0.000 0.504 342 A N -1.067 121.805 122.820 0.086 0.000 1.930 342 A HA -0.127 4.192 4.320 -0.000 0.000 0.217 342 A C 2.213 179.702 177.584 -0.159 0.000 1.175 342 A CA 1.797 53.800 52.037 -0.057 0.000 0.627 342 A CB -1.140 17.826 19.000 -0.058 0.000 0.815 342 A HN 0.318 nan 8.150 nan 0.000 0.443 343 V N -0.064 119.706 119.914 -0.239 0.000 2.667 343 V HA -0.178 3.942 4.120 -0.000 0.000 0.252 343 V C 2.508 178.580 176.094 -0.038 0.000 1.065 343 V CA 1.927 64.102 62.300 -0.210 0.000 1.083 343 V CB -0.877 30.702 31.823 -0.407 0.000 0.692 343 V HN 0.674 nan 8.190 nan 0.000 0.468 344 R N 0.890 121.383 120.500 -0.012 0.000 2.070 344 R HA -0.177 4.163 4.340 -0.000 0.000 0.232 344 R C 2.310 178.567 176.300 -0.071 0.000 1.138 344 R CA 2.391 58.487 56.100 -0.007 0.000 0.936 344 R CB -0.625 29.642 30.300 -0.055 0.000 0.839 344 R HN 0.542 nan 8.270 nan 0.000 0.429 345 T N 0.435 114.892 114.554 -0.162 0.000 2.915 345 T HA 0.018 4.368 4.350 -0.000 0.000 0.269 345 T C 1.862 176.511 174.700 -0.085 0.000 1.071 345 T CA 0.821 62.834 62.100 -0.145 0.000 1.132 345 T CB -0.277 68.471 68.868 -0.200 0.000 0.878 345 T HN 0.437 nan 8.240 nan 0.000 0.479 346 A N 1.713 124.487 122.820 -0.078 0.000 1.849 346 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 346 A C 2.586 180.156 177.584 -0.024 0.000 1.202 346 A CA 1.986 53.992 52.037 -0.052 0.000 0.629 346 A CB -1.188 17.776 19.000 -0.061 0.000 0.834 346 A HN 0.374 nan 8.150 nan 0.000 0.447 347 V N 0.506 120.421 119.914 0.000 0.000 2.548 347 V HA -0.186 3.933 4.120 -0.000 0.000 0.249 347 V C 2.417 178.515 176.094 0.007 0.000 1.055 347 V CA 1.299 63.612 62.300 0.023 0.000 1.065 347 V CB -0.809 31.058 31.823 0.074 0.000 0.681 347 V HN 0.481 nan 8.190 nan 0.000 0.462 348 I N 1.283 121.849 120.570 -0.007 0.000 2.118 348 I HA -0.252 3.918 4.170 -0.000 0.000 0.241 348 I C 2.329 178.433 176.117 -0.022 0.000 1.070 348 I CA 1.916 63.205 61.300 -0.019 0.000 1.327 348 I CB -1.428 36.550 38.000 -0.037 0.000 1.034 348 I HN 0.390 nan 8.210 nan 0.000 0.405 349 N N 0.872 119.555 118.700 -0.027 0.000 2.171 349 N HA -0.041 4.699 4.740 -0.000 0.000 0.184 349 N C 1.911 177.409 175.510 -0.020 0.000 1.021 349 N CA 1.503 54.538 53.050 -0.025 0.000 0.854 349 N CB -0.343 38.127 38.487 -0.029 0.000 0.994 349 N HN 0.367 nan 8.380 nan 0.000 0.426 350 A N 0.809 123.618 122.820 -0.017 0.000 1.902 350 A HA 0.055 4.375 4.320 -0.000 0.000 0.217 350 A C 2.246 179.822 177.584 -0.013 0.000 1.181 350 A CA 1.911 53.940 52.037 -0.014 0.000 0.623 350 A CB -0.771 18.222 19.000 -0.011 0.000 0.818 350 A HN 0.305 nan 8.150 nan 0.000 0.443 351 A N -0.143 122.670 122.820 -0.011 0.000 2.067 351 A HA 0.060 4.380 4.320 -0.000 0.000 0.217 351 A C 2.278 179.851 177.584 -0.020 0.000 1.156 351 A CA 1.747 53.775 52.037 -0.014 0.000 0.683 351 A CB -0.623 18.370 19.000 -0.011 0.000 0.808 351 A HN 0.971 nan 8.150 nan 0.000 0.455 352 S N -2.046 113.642 115.700 -0.019 0.000 2.593 352 S HA 0.371 4.841 4.470 -0.000 0.000 0.217 352 S C 1.534 176.122 174.600 -0.020 0.000 0.966 352 S CA 1.112 59.300 58.200 -0.020 0.000 0.914 352 S CB -0.197 62.991 63.200 -0.020 0.000 0.776 352 S HN 1.785 nan 8.310 nan 0.000 0.523 353 G N 2.304 111.093 108.800 -0.019 0.000 2.498 353 G HA2 -0.466 3.494 3.960 -0.000 0.000 0.229 353 G HA3 -0.466 3.494 3.960 -0.000 0.000 0.229 353 G C 0.975 175.865 174.900 -0.017 0.000 1.156 353 G CA 0.682 45.771 45.100 -0.019 0.000 0.680 353 G HN 0.621 nan 8.290 nan 0.000 0.512 354 R N 0.676 121.167 120.500 -0.016 0.000 2.386 354 R HA -0.213 4.127 4.340 -0.000 0.000 0.252 354 R C 1.164 177.456 176.300 -0.015 0.000 1.058 354 R CA 2.916 59.007 56.100 -0.015 0.000 0.938 354 R CB -0.358 29.931 30.300 -0.017 0.000 0.931 354 R HN 0.685 nan 8.270 nan 0.000 0.455 355 Q N -2.180 117.611 119.800 -0.016 0.000 2.501 355 Q HA 0.282 4.622 4.340 -0.000 0.000 0.288 355 Q C -0.945 175.046 176.000 -0.014 0.000 1.051 355 Q CA -0.245 55.549 55.803 -0.015 0.000 0.788 355 Q CB 2.314 31.042 28.738 -0.017 0.000 1.469 355 Q HN 0.309 nan 8.270 nan 0.000 0.416 356 T N -2.439 112.107 114.554 -0.013 0.000 2.816 356 T HA 0.247 4.597 4.350 -0.000 0.000 0.282 356 T C 1.279 175.971 174.700 -0.012 0.000 0.993 356 T CA -0.543 61.549 62.100 -0.012 0.000 0.994 356 T CB 0.654 69.516 68.868 -0.010 0.000 1.025 356 T HN 0.306 nan 8.240 nan 0.000 0.529 357 V N 1.880 121.788 119.914 -0.011 0.000 2.214 357 V HA -0.173 3.947 4.120 -0.000 0.000 0.247 357 V C 2.573 178.660 176.094 -0.012 0.000 1.051 357 V CA 2.476 64.769 62.300 -0.011 0.000 1.003 357 V CB -1.063 30.756 31.823 -0.007 0.000 0.635 357 V HN 0.952 nan 8.190 nan 0.000 0.447 358 D N 0.030 120.425 120.400 -0.008 0.000 2.190 358 D HA -0.133 4.507 4.640 -0.000 0.000 0.200 358 D C 2.002 178.296 176.300 -0.010 0.000 0.992 358 D CA 1.563 55.559 54.000 -0.008 0.000 0.854 358 D CB -0.285 40.513 40.800 -0.003 0.000 0.936 358 D HN 0.481 nan 8.370 nan 0.000 0.462 359 A N 0.490 123.304 122.820 -0.011 0.000 1.855 359 A HA 0.208 4.528 4.320 -0.000 0.000 0.213 359 A C 2.241 179.815 177.584 -0.017 0.000 1.195 359 A CA 1.482 53.511 52.037 -0.012 0.000 0.610 359 A CB -0.826 18.168 19.000 -0.010 0.000 0.837 359 A HN 0.205 nan 8.150 nan 0.000 0.444 360 A N -0.147 122.662 122.820 -0.019 0.000 1.933 360 A HA -0.036 4.284 4.320 -0.000 0.000 0.218 360 A C 2.147 179.711 177.584 -0.034 0.000 1.175 360 A CA 1.484 53.506 52.037 -0.026 0.000 0.628 360 A CB -0.641 18.344 19.000 -0.025 0.000 0.814 360 A HN 0.459 nan 8.150 nan 0.000 0.444 361 L N -0.914 120.290 121.223 -0.031 0.000 2.093 361 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 361 L C 3.052 179.897 176.870 -0.043 0.000 1.085 361 L CA 0.981 55.798 54.840 -0.038 0.000 0.755 361 L CB -0.482 41.560 42.059 -0.029 0.000 0.904 361 L HN 0.440 nan 8.230 nan 0.000 0.435 362 A N -0.057 122.744 122.820 -0.031 0.000 1.930 362 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 362 A C 2.541 180.108 177.584 -0.028 0.000 1.175 362 A CA 1.497 53.518 52.037 -0.026 0.000 0.627 362 A CB -0.580 18.410 19.000 -0.016 0.000 0.815 362 A HN 0.381 nan 8.150 nan 0.000 0.443 363 A N 0.137 122.941 122.820 -0.028 0.000 1.877 363 A HA 0.126 4.446 4.320 -0.000 0.000 0.216 363 A C 2.532 180.094 177.584 -0.037 0.000 1.186 363 A CA 2.197 54.219 52.037 -0.025 0.000 0.620 363 A CB -1.168 17.818 19.000 -0.023 0.000 0.822 363 A HN 1.114 nan 8.150 nan 0.000 0.443 364 A N -0.814 121.969 122.820 -0.062 0.000 1.948 364 A HA -0.265 4.055 4.320 -0.000 0.000 0.220 364 A C 2.140 179.663 177.584 -0.101 0.000 1.177 364 A CA 1.815 53.792 52.037 -0.101 0.000 0.636 364 A CB -0.603 18.303 19.000 -0.156 0.000 0.815 364 A HN 0.681 nan 8.150 nan 0.000 0.449 365 Q N -1.111 118.640 119.800 -0.082 0.000 2.079 365 Q HA -0.136 4.204 4.340 -0.000 0.000 0.200 365 Q C 2.377 178.365 176.000 -0.021 0.000 0.974 365 Q CA 2.072 57.837 55.803 -0.062 0.000 0.840 365 Q CB -0.320 28.387 28.738 -0.053 0.000 0.898 365 Q HN 0.920 nan 8.270 nan 0.000 0.430 366 T N -1.578 112.969 114.554 -0.013 0.000 2.976 366 T HA -0.079 4.271 4.350 -0.000 0.000 0.257 366 T C 1.512 176.220 174.700 0.012 0.000 1.051 366 T CA 1.027 63.131 62.100 0.005 0.000 1.141 366 T CB -0.294 68.577 68.868 0.005 0.000 0.881 366 T HN 0.217 nan 8.240 nan 0.000 0.461 367 N N 2.526 121.229 118.700 0.005 0.000 2.244 367 N HA 0.084 4.824 4.740 -0.000 0.000 0.183 367 N C 1.941 177.474 175.510 0.039 0.000 1.016 367 N CA 1.442 54.504 53.050 0.020 0.000 0.866 367 N CB -0.622 37.873 38.487 0.013 0.000 0.980 367 N HN 0.494 nan 8.380 nan 0.000 0.430 368 A N -0.468 122.365 122.820 0.022 0.000 2.072 368 A HA 0.451 4.771 4.320 -0.000 0.000 0.216 368 A C 2.196 179.825 177.584 0.074 0.000 1.156 368 A CA 0.947 53.013 52.037 0.048 0.000 0.701 368 A CB -0.649 18.347 19.000 -0.007 0.000 0.816 368 A HN 0.458 nan 8.150 nan 0.000 0.458 369 A N -0.267 122.590 122.820 0.061 0.000 1.975 369 A HA 0.390 4.710 4.320 -0.000 0.000 0.215 369 A C 2.227 179.848 177.584 0.061 0.000 1.170 369 A CA 1.252 53.336 52.037 0.078 0.000 0.656 369 A CB -0.592 18.450 19.000 0.070 0.000 0.821 369 A HN 0.899 nan 8.150 nan 0.000 0.449 370 A N -1.186 121.662 122.820 0.046 0.000 2.209 370 A HA 0.144 4.464 4.320 -0.000 0.000 0.212 370 A C 1.981 179.584 177.584 0.031 0.000 1.158 370 A CA 1.271 53.329 52.037 0.035 0.000 0.742 370 A CB -0.412 18.605 19.000 0.028 0.000 0.790 370 A HN 0.531 nan 8.150 nan 0.000 0.472 371 M N -1.479 118.145 119.600 0.040 0.000 2.545 371 M HA 0.115 4.595 4.480 -0.000 0.000 0.264 371 M C 2.240 178.555 176.300 0.026 0.000 1.155 371 M CA 0.937 56.254 55.300 0.028 0.000 1.162 371 M CB -0.008 32.613 32.600 0.034 0.000 1.330 371 M HN 0.433 nan 8.290 nan 0.000 0.479 372 A N 0.182 123.029 122.820 0.043 0.000 1.940 372 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 372 A C 1.954 179.551 177.584 0.022 0.000 1.176 372 A CA 2.368 54.426 52.037 0.035 0.000 0.631 372 A CB -1.140 17.890 19.000 0.049 0.000 0.814 372 A HN 0.531 nan 8.150 nan 0.000 0.446 373 T N 0.101 114.670 114.554 0.025 0.000 2.857 373 T HA -0.037 4.313 4.350 -0.000 0.000 0.266 373 T C 1.782 176.490 174.700 0.014 0.000 1.048 373 T CA 1.046 63.157 62.100 0.020 0.000 1.139 373 T CB -0.214 68.668 68.868 0.022 0.000 0.874 373 T HN 0.295 nan 8.240 nan 0.000 0.455 374 L N 1.095 122.323 121.223 0.008 0.000 2.156 374 L HA 0.009 4.349 4.340 -0.000 0.000 0.208 374 L C 2.175 179.042 176.870 -0.006 0.000 1.095 374 L CA 1.749 56.587 54.840 -0.003 0.000 0.770 374 L CB -0.564 41.488 42.059 -0.011 0.000 0.914 374 L HN 0.158 nan 8.230 nan 0.000 0.439 375 E N 0.664 120.863 120.200 -0.001 0.000 2.152 375 E HA -0.192 4.158 4.350 -0.000 0.000 0.192 375 E C 1.994 178.601 176.600 0.011 0.000 0.983 375 E CA 1.118 57.517 56.400 -0.002 0.000 0.818 375 E CB 0.082 29.780 29.700 -0.003 0.000 0.758 375 E HN 0.684 nan 8.360 nan 0.000 0.467 376 K N 0.132 120.542 120.400 0.016 0.000 2.167 376 K HA -0.017 4.303 4.320 -0.000 0.000 0.203 376 K C 2.028 178.650 176.600 0.036 0.000 1.052 376 K CA 0.537 56.838 56.287 0.024 0.000 0.956 376 K CB -0.181 32.332 32.500 0.022 0.000 0.735 376 K HN -0.067 nan 8.250 nan 0.000 0.451 377 L N 1.384 122.627 121.223 0.034 0.000 2.156 377 L HA 0.056 4.396 4.340 -0.000 0.000 0.208 377 L C 2.630 179.547 176.870 0.077 0.000 1.095 377 L CA 1.360 56.231 54.840 0.051 0.000 0.770 377 L CB -0.351 41.727 42.059 0.032 0.000 0.914 377 L HN 0.314 nan 8.230 nan 0.000 0.439 378 M N -0.985 118.642 119.600 0.046 0.000 2.175 378 M HA -0.244 4.236 4.480 -0.000 0.000 0.264 378 M C 2.062 178.426 176.300 0.107 0.000 1.063 378 M CA 1.669 57.004 55.300 0.058 0.000 1.119 378 M CB 0.008 32.613 32.600 0.009 0.000 1.377 378 M HN 0.106 nan 8.290 nan 0.000 0.415 379 K N -0.181 120.263 120.400 0.072 0.000 2.217 379 K HA 0.002 4.322 4.320 -0.000 0.000 0.202 379 K C 1.872 178.515 176.600 0.071 0.000 1.051 379 K CA 1.074 57.399 56.287 0.064 0.000 0.952 379 K CB -0.103 32.420 32.500 0.040 0.000 0.736 379 K HN 0.376 nan 8.250 nan 0.000 0.453 380 A N 0.559 123.430 122.820 0.085 0.000 1.968 380 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 380 A C 1.875 179.520 177.584 0.102 0.000 1.169 380 A CA 0.799 52.883 52.037 0.078 0.000 0.638 380 A CB -0.468 18.577 19.000 0.076 0.000 0.812 380 A HN 0.323 nan 8.150 nan 0.000 0.446 381 F N 1.447 121.396 119.950 -0.001 0.000 2.206 381 F HA -0.117 4.410 4.527 -0.000 0.000 0.298 381 F C 2.272 178.070 175.800 -0.003 0.000 1.090 381 F CA 1.888 59.887 58.000 -0.002 0.000 1.323 381 F CB 0.026 39.024 39.000 -0.003 0.000 1.028 381 F HN 0.412 nan 8.300 nan 0.000 0.492 382 E N -0.078 120.188 120.200 0.111 0.000 2.216 382 E HA -0.108 4.242 4.350 -0.000 0.000 0.192 382 E C 1.917 178.491 176.600 -0.042 0.000 0.988 382 E CA 1.160 57.574 56.400 0.023 0.000 0.834 382 E CB -1.017 28.730 29.700 0.080 0.000 0.772 382 E HN 0.347 nan 8.360 nan 0.000 0.479 383 S N 0.327 116.009 115.700 -0.029 0.000 2.406 383 S HA -0.030 4.440 4.470 -0.000 0.000 0.228 383 S C 1.752 176.308 174.600 -0.074 0.000 1.020 383 S CA 0.588 58.766 58.200 -0.037 0.000 0.965 383 S CB -0.330 62.862 63.200 -0.013 0.000 0.798 383 S HN 0.254 nan 8.310 nan 0.000 0.488 384 L N 1.230 122.383 121.223 -0.118 0.000 2.599 384 L HA 0.398 4.738 4.340 -0.000 0.000 0.230 384 L C 2.232 178.967 176.870 -0.225 0.000 1.141 384 L CA 1.163 55.909 54.840 -0.158 0.000 0.877 384 L CB -0.686 41.272 42.059 -0.169 0.000 1.009 384 L HN 0.493 nan 8.230 nan 0.000 0.447 385 K N -1.983 118.273 120.400 -0.239 0.000 2.391 385 K HA 0.249 4.568 4.320 -0.000 0.000 0.197 385 K C 1.961 178.491 176.600 -0.117 0.000 1.087 385 K CA 0.769 56.922 56.287 -0.222 0.000 1.012 385 K CB -0.377 31.949 32.500 -0.290 0.000 0.925 385 K HN 0.295 nan 8.250 nan 0.000 0.547 386 S N -0.933 114.715 115.700 -0.088 0.000 2.436 386 S HA 0.302 4.772 4.470 -0.000 0.000 0.208 386 S C 0.653 175.224 174.600 -0.049 0.000 1.063 386 S CA 1.821 59.989 58.200 -0.054 0.000 1.120 386 S CB -0.243 62.933 63.200 -0.040 0.000 1.053 386 S HN 1.209 nan 8.310 nan 0.000 0.407 387 F N -0.469 119.454 119.950 -0.046 0.000 3.090 387 F HA 0.686 5.213 4.527 -0.000 0.000 0.381 387 F C 0.504 176.281 175.800 -0.039 0.000 1.231 387 F CA 0.363 58.339 58.000 -0.040 0.000 1.177 387 F CB -0.383 38.598 39.000 -0.032 0.000 1.598 387 F HN 0.981 nan 8.300 nan 0.000 0.589 388 Q N -1.224 118.550 119.800 -0.044 0.000 2.457 388 Q HA 0.201 4.541 4.340 -0.000 0.000 0.283 388 Q C 0.082 176.053 176.000 -0.048 0.000 1.234 388 Q CA 2.495 58.265 55.803 -0.055 0.000 0.877 388 Q CB -2.762 25.929 28.738 -0.079 0.000 1.250 388 Q HN 2.931 nan 8.270 nan 0.000 0.481 399 Q N -0.149 119.648 119.800 -0.006 0.000 1.742 399 Q HA 0.649 4.989 4.340 -0.000 0.000 0.336 399 Q C 1.184 177.181 176.000 -0.004 0.000 0.966 399 Q CA 2.980 58.780 55.803 -0.006 0.000 0.893 399 Q CB -0.276 28.459 28.738 -0.006 0.000 0.927 399 Q HN 2.528 nan 8.270 nan 0.000 0.417 400 Q N -2.120 117.678 119.800 -0.003 0.000 2.913 400 Q HA 0.583 4.923 4.340 -0.000 0.000 0.208 400 Q C -0.612 175.388 176.000 -0.000 0.000 0.848 400 Q CA 0.765 56.566 55.803 -0.003 0.000 1.227 400 Q CB -0.359 28.377 28.738 -0.004 0.000 1.647 400 Q HN 1.946 nan 8.270 nan 0.000 0.591 401 Q N -0.905 118.895 119.800 0.000 0.000 2.435 401 Q HA 1.017 5.357 4.340 -0.000 0.000 0.282 401 Q C 0.053 176.055 176.000 0.004 0.000 1.020 401 Q CA 0.424 56.229 55.803 0.003 0.000 0.820 401 Q CB 1.148 29.889 28.738 0.003 0.000 1.436 401 Q HN 2.520 nan 8.270 nan 0.000 0.395 402 Q N -2.182 117.623 119.800 0.008 0.000 1.919 402 Q HA 0.432 4.772 4.340 -0.000 0.000 0.170 402 Q C 1.437 177.449 176.000 0.020 0.000 0.576 402 Q CA 1.543 57.353 55.803 0.012 0.000 1.100 402 Q CB -2.599 26.144 28.738 0.009 0.000 1.218 402 Q HN 2.662 nan 8.270 nan 0.000 0.595 403 Q N -1.483 118.330 119.800 0.022 0.000 2.277 403 Q HA 0.069 4.409 4.340 -0.000 0.000 0.222 403 Q C 2.158 178.181 176.000 0.038 0.000 1.083 403 Q CA 5.673 61.495 55.803 0.031 0.000 0.964 403 Q CB -1.864 26.898 28.738 0.041 0.000 1.088 403 Q HN 2.863 nan 8.270 nan 0.000 0.477 404 Q N -1.939 117.891 119.800 0.050 0.000 1.186 404 Q HA 0.013 4.353 4.340 -0.000 0.000 0.287 404 Q C -1.136 174.906 176.000 0.069 0.000 1.002 404 Q CA 1.979 57.812 55.803 0.051 0.000 0.792 404 Q CB -2.681 26.073 28.738 0.026 0.000 3.852 404 Q HN 1.415 nan 8.270 nan 0.000 0.457 405 P HA 0.821 nan 4.420 nan 0.000 0.338 405 P C -2.366 174.934 177.300 -0.001 0.000 1.273 405 P CA -0.331 62.768 63.100 -0.001 0.000 0.778 405 P CB -0.207 31.469 31.700 -0.040 0.000 1.452 406 P HA 0.472 nan 4.420 nan 0.000 0.284 406 P C -2.140 175.072 177.300 -0.148 0.000 1.287 406 P CA -1.227 61.825 63.100 -0.080 0.000 0.824 406 P CB -0.758 30.903 31.700 -0.065 0.000 1.180 407 P HA 0.569 nan 4.420 nan 0.000 0.344 407 P C -2.533 174.644 177.300 -0.205 0.000 1.321 407 P CA -0.623 62.230 63.100 -0.410 0.000 0.773 407 P CB 0.111 31.491 31.700 -0.534 0.000 1.723 408 P HA 0.005 nan 4.420 nan 0.000 0.535 408 P C -2.728 174.536 177.300 -0.060 0.000 0.276 408 P CA 0.103 63.148 63.100 -0.092 0.000 2.509 408 P CB -1.723 29.944 31.700 -0.055 0.000 1.141 409 P HA 0.443 nan 4.420 nan 0.000 0.228 409 P C -2.344 174.979 177.300 0.038 0.000 1.873 409 P CA -0.706 62.399 63.100 0.007 0.000 1.033 409 P CB -0.898 30.805 31.700 0.007 0.000 1.707 410 P HA 0.367 nan 4.420 nan 0.000 0.278 410 P C -1.811 175.584 177.300 0.157 0.000 1.266 410 P CA -1.152 62.037 63.100 0.147 0.000 0.807 410 P CB -0.096 31.781 31.700 0.294 0.000 1.094 411 P HA 0.507 nan 4.420 nan 0.000 0.333 411 P C -2.459 174.884 177.300 0.072 0.000 1.370 411 P CA -0.271 62.879 63.100 0.085 0.000 0.851 411 P CB -1.009 30.716 31.700 0.041 0.000 2.082 412 P HA 0.485 nan 4.420 nan 0.000 0.321 412 P C -2.413 174.885 177.300 -0.003 0.000 1.259 412 P CA -1.227 61.872 63.100 -0.001 0.000 0.864 412 P CB -0.315 31.368 31.700 -0.027 0.000 1.355 413 P HA 0.410 nan 4.420 nan 0.000 0.318 413 P C -2.199 175.094 177.300 -0.012 0.000 1.309 413 P CA -0.557 62.541 63.100 -0.004 0.000 0.736 413 P CB -1.116 30.582 31.700 -0.002 0.000 1.440 414 P HA 0.467 nan 4.420 nan 0.000 0.340 414 P C -2.148 175.144 177.300 -0.013 0.000 1.299 414 P CA -0.310 62.782 63.100 -0.013 0.000 0.813 414 P CB -0.995 30.699 31.700 -0.009 0.000 1.911 415 P HA 0.288 nan 4.420 nan 0.000 0.329 415 P C 0.098 177.394 177.300 -0.008 0.000 1.293 415 P CA -0.027 63.066 63.100 -0.011 0.000 0.813 415 P CB 0.424 32.117 31.700 -0.012 0.000 1.960 416 Q N 0.009 119.805 119.800 -0.008 0.000 2.679 416 Q HA 0.398 4.738 4.340 -0.000 0.000 0.255 416 Q C -0.322 175.674 176.000 -0.005 0.000 1.053 416 Q CA 0.585 56.385 55.803 -0.006 0.000 0.620 416 Q CB -0.841 27.894 28.738 -0.006 0.000 3.775 416 Q HN 0.470 nan 8.270 nan 0.000 0.446 417 L N -3.060 118.159 121.223 -0.005 0.000 3.129 417 L HA 0.444 4.784 4.340 -0.000 0.000 0.231 417 L C -2.651 174.216 176.870 -0.005 0.000 0.989 417 L CA -1.068 53.769 54.840 -0.005 0.000 1.068 417 L CB -0.453 41.604 42.059 -0.004 0.000 1.476 417 L HN 0.334 nan 8.230 nan 0.000 0.410 418 P HA 0.422 nan 4.420 nan 0.000 0.203 418 P C -0.063 177.235 177.300 -0.004 0.000 1.089 418 P CA 1.088 64.185 63.100 -0.005 0.000 0.726 418 P CB 0.586 32.283 31.700 -0.005 0.000 0.805 419 Q N -2.205 117.593 119.800 -0.003 0.000 1.039 419 Q HA 0.140 4.480 4.340 -0.000 0.000 0.241 419 Q C -1.833 174.165 176.000 -0.003 0.000 1.072 419 Q CA 1.008 56.810 55.803 -0.003 0.000 0.881 419 Q CB -2.594 26.143 28.738 -0.003 0.000 3.225 419 Q HN 0.538 nan 8.270 nan 0.000 0.333 420 P HA 0.000 nan 4.420 nan 0.000 0.216 420 P CA 0.000 63.098 63.100 -0.003 0.000 0.800 420 P CB 0.000 31.698 31.700 -0.003 0.000 0.726