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 1s3s_1_C DATA FIRST_RESID 22 DATA SEQUENCE RPNRLIVDEA INEDNSVVSL SQPKMDELQL FRGDTVLLKG KKRREAVCIV DATA SEQUENCE LSDDTCSDEK IRMNRVVRNN LRVRLGDVIS IQPCPDVKYG KRIHVLPIDD DATA SEQUENCE TVEGITGNLF EVYLKPYFLE AYRPIRKGDI FLVRGGMRAV EFKVVETDPS DATA SEQUENCE PYCIVAPDTV IHCEGEPIKR EDEEESLNEV GYDDVGGCRK QLAQIKEMVE DATA SEQUENCE LPLRHPALFK AIGVKPPRGI LLYGPPGTGK TLIARAVANE TGAFFFLING DATA SEQUENCE PEIMSKLAGE SESNLRKAFE EAEKNAPAII FIDELDAIAP KREKTHGEVE DATA SEQUENCE RRIVSQLLTL MDGLKQRAHV IVMAATNRPN SIDPALRRFG RFDREVDIGI DATA SEQUENCE PDATGRLEIL QIHTKNMKLA DDVDLEQVAN ETHGHVGADL AALCSEAALQ DATA SEQUENCE AIRKKMDLID LEDETIDAEV MNSLAVTMDD FRWALSQ 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 22 R HA 0.000 nan 4.340 nan 0.000 0.208 22 R C 0.000 176.301 176.300 0.002 0.000 0.893 22 R CA 0.000 56.102 56.100 0.003 0.000 0.921 22 R CB 0.000 30.303 30.300 0.005 0.000 0.687 23 P HA 0.089 nan 4.420 nan 0.000 0.225 23 P C 0.240 177.540 177.300 -0.001 0.000 1.156 23 P CA 0.756 63.855 63.100 -0.002 0.000 0.787 23 P CB 0.097 31.793 31.700 -0.007 0.000 0.802 24 N N -0.288 118.413 118.700 0.001 0.000 2.476 24 N HA -0.168 4.572 4.740 -0.001 0.000 0.196 24 N C 0.357 175.870 175.510 0.006 0.000 1.024 24 N CA 0.944 53.996 53.050 0.003 0.000 0.909 24 N CB -0.480 38.010 38.487 0.006 0.000 0.947 24 N HN 0.144 nan 8.380 nan 0.000 0.450 25 R N 0.752 121.257 120.500 0.007 0.000 2.265 25 R HA 0.372 4.712 4.340 -0.001 0.000 0.314 25 R C -0.219 176.087 176.300 0.010 0.000 1.053 25 R CA -0.194 55.912 56.100 0.010 0.000 0.931 25 R CB 0.591 30.898 30.300 0.011 0.000 1.024 25 R HN 0.159 nan 8.270 nan 0.000 0.457 26 L N 3.749 124.980 121.223 0.014 0.000 2.409 26 L HA 0.569 4.909 4.340 -0.001 0.000 0.262 26 L C -0.029 176.854 176.870 0.021 0.000 0.992 26 L CA -1.013 53.836 54.840 0.015 0.000 0.817 26 L CB 2.287 44.353 42.059 0.012 0.000 1.350 26 L HN 0.400 nan 8.230 nan 0.000 0.411 27 I N 2.214 122.798 120.570 0.024 0.000 2.352 27 I HA 0.166 4.335 4.170 -0.001 0.000 0.290 27 I C 0.282 176.418 176.117 0.032 0.000 1.036 27 I CA -0.584 60.735 61.300 0.032 0.000 1.336 27 I CB 1.531 39.552 38.000 0.035 0.000 1.407 27 I HN 0.260 nan 8.210 nan 0.000 0.497 28 V N 6.224 126.160 119.914 0.036 0.000 2.485 28 V HA 0.088 4.208 4.120 -0.001 0.000 0.287 28 V C -0.281 175.839 176.094 0.042 0.000 1.022 28 V CA 0.653 62.975 62.300 0.036 0.000 1.067 28 V CB 1.099 32.943 31.823 0.036 0.000 0.967 28 V HN 0.851 nan 8.190 nan 0.000 0.479 29 D N 3.859 124.283 120.400 0.039 0.000 2.666 29 D HA 0.428 5.067 4.640 -0.001 0.000 0.252 29 D C -0.397 175.933 176.300 0.049 0.000 1.143 29 D CA -0.501 53.524 54.000 0.043 0.000 1.096 29 D CB 1.456 42.274 40.800 0.031 0.000 1.260 29 D HN 0.744 nan 8.370 nan 0.000 0.633 30 E N -0.035 120.195 120.200 0.051 0.000 2.283 30 E HA 0.540 4.890 4.350 -0.001 0.000 0.278 30 E C -0.589 176.035 176.600 0.039 0.000 1.027 30 E CA -0.807 55.628 56.400 0.058 0.000 0.843 30 E CB 1.450 31.191 29.700 0.067 0.000 1.062 30 E HN 0.433 nan 8.360 nan 0.000 0.401 31 A N 3.019 125.862 122.820 0.037 0.000 2.386 31 A HA 0.149 4.469 4.320 -0.001 0.000 0.246 31 A C 0.547 178.145 177.584 0.024 0.000 1.089 31 A CA -0.134 51.920 52.037 0.028 0.000 0.790 31 A CB 0.299 19.316 19.000 0.027 0.000 1.042 31 A HN 0.638 nan 8.150 nan 0.000 0.497 32 I N -0.609 119.973 120.570 0.019 0.000 4.607 32 I HA 0.097 4.267 4.170 -0.001 0.000 0.324 32 I C 0.358 176.483 176.117 0.014 0.000 1.279 32 I CA 0.450 61.759 61.300 0.015 0.000 1.286 32 I CB -0.576 37.431 38.000 0.011 0.000 1.265 32 I HN 0.668 nan 8.210 nan 0.000 0.446 33 N N 2.283 120.992 118.700 0.016 0.000 2.425 33 N HA 0.065 4.804 4.740 -0.001 0.000 0.268 33 N C 0.863 176.386 175.510 0.021 0.000 0.991 33 N CA 0.116 53.176 53.050 0.017 0.000 0.931 33 N CB 1.874 40.371 38.487 0.016 0.000 1.130 33 N HN 0.056 nan 8.380 nan 0.000 0.493 34 E N 2.166 122.378 120.200 0.021 0.000 2.097 34 E HA -0.195 4.155 4.350 -0.001 0.000 0.196 34 E C -0.259 176.364 176.600 0.039 0.000 1.000 34 E CA 1.063 57.479 56.400 0.025 0.000 0.804 34 E CB -0.650 29.064 29.700 0.023 0.000 0.740 34 E HN 0.628 nan 8.360 nan 0.000 0.454 35 D N 1.338 121.763 120.400 0.042 0.000 2.793 35 D HA -0.083 4.556 4.640 -0.001 0.000 0.230 35 D C 0.430 176.769 176.300 0.066 0.000 1.139 35 D CA 0.308 54.342 54.000 0.055 0.000 0.838 35 D CB 0.256 41.075 40.800 0.032 0.000 1.149 35 D HN 0.134 nan 8.370 nan 0.000 0.526 36 N N 1.119 119.881 118.700 0.105 0.000 2.453 36 N HA -0.112 4.628 4.740 -0.001 0.000 0.183 36 N C 1.265 176.836 175.510 0.101 0.000 1.041 36 N CA 0.485 53.603 53.050 0.113 0.000 0.900 36 N CB 0.109 38.699 38.487 0.170 0.000 0.961 36 N HN 0.362 nan 8.380 nan 0.000 0.443 37 S N -0.863 114.883 115.700 0.076 0.000 2.503 37 S HA 0.105 4.575 4.470 -0.001 0.000 0.217 37 S C 0.814 175.434 174.600 0.033 0.000 0.999 37 S CA -0.367 57.861 58.200 0.047 0.000 0.914 37 S CB 0.166 63.369 63.200 0.005 0.000 0.782 37 S HN 0.037 nan 8.310 nan 0.000 0.520 38 V N 2.907 122.840 119.914 0.032 0.000 2.539 38 V HA 0.737 4.856 4.120 -0.001 0.000 0.292 38 V C -0.656 175.454 176.094 0.027 0.000 1.045 38 V CA -0.566 61.749 62.300 0.025 0.000 0.945 38 V CB 1.643 33.478 31.823 0.020 0.000 0.993 38 V HN 0.451 nan 8.190 nan 0.000 0.464 39 V N 3.338 123.266 119.914 0.022 0.000 2.686 39 V HA 0.781 4.901 4.120 -0.001 0.000 0.306 39 V C -0.344 175.760 176.094 0.016 0.000 1.065 39 V CA -0.349 61.964 62.300 0.021 0.000 0.894 39 V CB 1.629 33.465 31.823 0.021 0.000 1.004 39 V HN 0.824 nan 8.190 nan 0.000 0.424 40 S N 4.873 120.583 115.700 0.015 0.000 2.608 40 S HA 0.924 5.393 4.470 -0.001 0.000 0.291 40 S C -0.408 174.197 174.600 0.008 0.000 1.146 40 S CA -0.661 57.545 58.200 0.011 0.000 1.043 40 S CB 1.450 64.657 63.200 0.011 0.000 1.037 40 S HN 0.782 nan 8.310 nan 0.000 0.520 41 L N 0.225 121.450 121.223 0.003 0.000 2.503 41 L HA 0.605 4.945 4.340 -0.001 0.000 0.248 41 L C -0.344 176.523 176.870 -0.004 0.000 1.126 41 L CA -0.861 53.978 54.840 -0.001 0.000 0.929 41 L CB 1.867 43.923 42.059 -0.006 0.000 1.544 41 L HN 0.552 nan 8.230 nan 0.000 0.404 42 S N -1.006 114.690 115.700 -0.008 0.000 2.489 42 S HA 0.223 4.692 4.470 -0.001 0.000 0.291 42 S C 0.517 175.106 174.600 -0.018 0.000 1.151 42 S CA -0.527 57.667 58.200 -0.010 0.000 1.082 42 S CB 1.592 64.787 63.200 -0.008 0.000 1.019 42 S HN 0.643 nan 8.310 nan 0.000 0.492 43 Q N 3.934 123.723 119.800 -0.019 0.000 2.103 43 Q HA -0.177 4.163 4.340 -0.001 0.000 0.213 43 Q C -1.215 174.764 176.000 -0.036 0.000 1.008 43 Q CA 2.141 57.927 55.803 -0.028 0.000 0.879 43 Q CB -2.078 26.647 28.738 -0.022 0.000 0.946 43 Q HN 0.488 nan 8.270 nan 0.000 0.413 44 P HA -0.183 nan 4.420 nan 0.000 0.216 44 P C 1.100 178.380 177.300 -0.033 0.000 1.150 44 P CA 1.257 64.339 63.100 -0.029 0.000 0.843 44 P CB -0.035 31.653 31.700 -0.020 0.000 0.787 45 K N -0.650 119.732 120.400 -0.030 0.000 2.155 45 K HA 0.022 4.341 4.320 -0.001 0.000 0.203 45 K C 1.924 178.497 176.600 -0.045 0.000 1.052 45 K CA 1.275 57.544 56.287 -0.030 0.000 0.948 45 K CB -0.651 31.836 32.500 -0.020 0.000 0.728 45 K HN 0.211 nan 8.250 nan 0.000 0.448 46 M N 0.582 120.149 119.600 -0.056 0.000 2.175 46 M HA -0.144 4.335 4.480 -0.001 0.000 0.264 46 M C 1.310 177.538 176.300 -0.121 0.000 1.063 46 M CA 1.356 56.604 55.300 -0.087 0.000 1.119 46 M CB -0.254 32.292 32.600 -0.090 0.000 1.377 46 M HN -0.003 nan 8.290 nan 0.000 0.415 47 D N 0.876 121.215 120.400 -0.102 0.000 2.178 47 D HA -0.152 4.488 4.640 -0.001 0.000 0.201 47 D C 2.182 178.429 176.300 -0.088 0.000 0.980 47 D CA 1.884 55.821 54.000 -0.106 0.000 0.842 47 D CB -0.153 40.603 40.800 -0.072 0.000 0.948 47 D HN 0.566 nan 8.370 nan 0.000 0.472 48 E N 0.661 120.822 120.200 -0.066 0.000 2.107 48 E HA -0.075 4.275 4.350 -0.001 0.000 0.191 48 E C 1.957 178.525 176.600 -0.052 0.000 0.982 48 E CA 0.549 56.920 56.400 -0.049 0.000 0.809 48 E CB -0.500 29.179 29.700 -0.035 0.000 0.756 48 E HN 0.087 nan 8.360 nan 0.000 0.459 49 L N 0.028 121.213 121.223 -0.063 0.000 2.628 49 L HA 0.226 4.566 4.340 -0.001 0.000 0.229 49 L C 0.834 177.656 176.870 -0.081 0.000 1.137 49 L CA 0.381 55.188 54.840 -0.055 0.000 0.909 49 L CB -0.084 41.950 42.059 -0.043 0.000 1.137 49 L HN 0.434 nan 8.230 nan 0.000 0.470 50 Q N 0.745 120.467 119.800 -0.129 0.000 2.447 50 Q HA -0.209 4.130 4.340 -0.001 0.000 0.348 50 Q C -1.416 174.420 176.000 -0.274 0.000 1.421 50 Q CA 0.806 56.484 55.803 -0.208 0.000 0.978 50 Q CB -1.168 27.506 28.738 -0.106 0.000 1.191 50 Q HN 0.413 nan 8.270 nan 0.000 0.371 51 L N 1.454 122.466 121.223 -0.352 0.000 2.388 51 L HA 0.685 5.024 4.340 -0.001 0.000 0.264 51 L C -0.119 176.502 176.870 -0.415 0.000 0.998 51 L CA -1.140 53.548 54.840 -0.253 0.000 0.817 51 L CB 1.329 43.348 42.059 -0.066 0.000 1.338 51 L HN 0.129 nan 8.230 nan 0.000 0.414 52 F N 0.035 119.981 119.950 -0.007 0.000 2.450 52 F HA 0.474 5.001 4.527 -0.001 0.000 0.328 52 F C 1.441 177.236 175.800 -0.009 0.000 1.068 52 F CA -0.966 57.029 58.000 -0.008 0.000 1.007 52 F CB 0.536 39.531 39.000 -0.008 0.000 1.251 52 F HN 0.320 nan 8.300 nan 0.000 0.492 53 R N 0.801 121.413 120.500 0.187 0.000 2.459 53 R HA -0.101 4.239 4.340 -0.001 0.000 0.235 53 R C 0.878 177.223 176.300 0.075 0.000 1.178 53 R CA 1.048 57.206 56.100 0.097 0.000 1.072 53 R CB -1.201 29.147 30.300 0.080 0.000 0.829 53 R HN 0.938 nan 8.270 nan 0.000 0.492 54 G N -0.880 107.976 108.800 0.093 0.000 3.912 54 G HA2 -0.056 3.903 3.960 -0.001 0.000 0.203 54 G HA3 -0.056 3.903 3.960 -0.001 0.000 0.203 54 G C -0.413 174.517 174.900 0.051 0.000 1.112 54 G CA -0.503 44.627 45.100 0.050 0.000 0.871 54 G HN 0.070 nan 8.290 nan 0.000 0.549 55 D N 1.767 122.223 120.400 0.093 0.000 2.478 55 D HA 0.232 4.871 4.640 -0.001 0.000 0.234 55 D C 0.333 176.657 176.300 0.041 0.000 1.154 55 D CA 0.940 54.989 54.000 0.082 0.000 0.874 55 D CB 1.006 41.892 40.800 0.144 0.000 1.198 55 D HN -0.020 nan 8.370 nan 0.000 0.455 56 T N 1.785 116.352 114.554 0.020 0.000 2.723 56 T HA 0.343 4.692 4.350 -0.001 0.000 0.297 56 T C 0.164 174.851 174.700 -0.022 0.000 0.925 56 T CA -0.617 61.480 62.100 -0.006 0.000 1.030 56 T CB 0.588 69.443 68.868 -0.021 0.000 0.905 56 T HN -0.016 nan 8.240 nan 0.000 0.502 57 V N 4.402 124.305 119.914 -0.019 0.000 2.630 57 V HA 0.528 4.648 4.120 -0.001 0.000 0.305 57 V C -0.053 176.014 176.094 -0.045 0.000 1.046 57 V CA -1.083 61.201 62.300 -0.026 0.000 0.934 57 V CB 1.827 33.647 31.823 -0.005 0.000 1.003 57 V HN 0.674 nan 8.190 nan 0.000 0.451 58 L N 4.738 125.929 121.223 -0.054 0.000 2.309 58 L HA 0.664 5.003 4.340 -0.001 0.000 0.282 58 L C -0.901 175.962 176.870 -0.012 0.000 1.036 58 L CA 0.171 54.979 54.840 -0.053 0.000 0.806 58 L CB 1.053 43.062 42.059 -0.083 0.000 1.220 58 L HN 0.555 nan 8.230 nan 0.000 0.429 59 L N 5.678 126.904 121.223 0.006 0.000 2.439 59 L HA 0.537 4.877 4.340 -0.001 0.000 0.270 59 L C -0.927 175.962 176.870 0.031 0.000 0.972 59 L CA -0.754 54.097 54.840 0.019 0.000 0.836 59 L CB 1.771 43.843 42.059 0.022 0.000 1.255 59 L HN 0.644 nan 8.230 nan 0.000 0.404 60 K N 1.649 122.068 120.400 0.032 0.000 2.316 60 K HA 0.903 5.222 4.320 -0.001 0.000 0.251 60 K C -0.407 176.212 176.600 0.033 0.000 0.934 60 K CA -0.717 55.592 56.287 0.038 0.000 0.802 60 K CB 2.958 35.483 32.500 0.041 0.000 1.171 60 K HN 0.534 nan 8.250 nan 0.000 0.426 61 G N 1.523 110.343 108.800 0.034 0.000 3.247 61 G HA2 0.357 4.317 3.960 -0.001 0.000 0.226 61 G HA3 0.357 4.317 3.960 -0.001 0.000 0.226 61 G C -1.043 173.875 174.900 0.029 0.000 1.220 61 G CA -1.084 44.035 45.100 0.030 0.000 0.875 61 G HN 0.702 nan 8.290 nan 0.000 0.606 62 K N -0.460 119.957 120.400 0.027 0.000 2.132 62 K HA 0.346 4.666 4.320 -0.001 0.000 0.240 62 K C -0.229 176.386 176.600 0.025 0.000 1.036 62 K CA -0.291 56.011 56.287 0.025 0.000 0.888 62 K CB 0.446 32.961 32.500 0.024 0.000 1.071 62 K HN 0.238 nan 8.250 nan 0.000 0.502 63 K N -0.168 120.245 120.400 0.022 0.000 3.274 63 K HA -0.229 4.091 4.320 -0.001 0.000 0.300 63 K C -0.356 176.259 176.600 0.024 0.000 1.230 63 K CA 1.272 57.572 56.287 0.021 0.000 0.884 63 K CB -1.483 31.029 32.500 0.020 0.000 1.242 63 K HN 0.939 nan 8.250 nan 0.000 0.467 64 R N 0.002 120.517 120.500 0.026 0.000 3.336 64 R HA -0.170 4.170 4.340 -0.001 0.000 0.260 64 R C -0.904 175.417 176.300 0.035 0.000 1.032 64 R CA 1.088 57.206 56.100 0.030 0.000 0.693 64 R CB -0.786 29.530 30.300 0.026 0.000 1.134 64 R HN 0.283 nan 8.270 nan 0.000 0.433 65 R N 0.939 121.461 120.500 0.037 0.000 2.711 65 R HA 0.498 4.837 4.340 -0.001 0.000 0.284 65 R C -0.194 176.137 176.300 0.052 0.000 0.968 65 R CA -0.697 55.429 56.100 0.044 0.000 0.924 65 R CB 1.626 31.950 30.300 0.040 0.000 1.162 65 R HN 0.440 nan 8.270 nan 0.000 0.465 66 E N 0.459 120.698 120.200 0.065 0.000 2.369 66 E HA 0.778 5.128 4.350 -0.001 0.000 0.270 66 E C -1.216 175.433 176.600 0.082 0.000 0.909 66 E CA -1.177 55.267 56.400 0.074 0.000 0.775 66 E CB 2.527 32.284 29.700 0.095 0.000 1.270 66 E HN 0.605 nan 8.360 nan 0.000 0.445 67 A N 1.008 123.871 122.820 0.072 0.000 2.520 67 A HA 0.557 4.877 4.320 -0.001 0.000 0.298 67 A C -1.322 176.293 177.584 0.051 0.000 1.051 67 A CA -0.663 51.419 52.037 0.075 0.000 0.690 67 A CB 1.566 20.607 19.000 0.068 0.000 1.281 67 A HN 0.280 nan 8.150 nan 0.000 0.402 68 V N 1.120 121.068 119.914 0.056 0.000 2.370 68 V HA 0.550 4.670 4.120 -0.001 0.000 0.283 68 V C -0.090 176.019 176.094 0.025 0.000 1.023 68 V CA -0.312 61.996 62.300 0.014 0.000 0.857 68 V CB 0.337 32.166 31.823 0.010 0.000 0.985 68 V HN 1.098 nan 8.190 nan 0.000 0.443 69 C N 5.148 124.454 119.300 0.010 0.000 3.308 69 C HA 0.687 5.147 4.460 -0.001 0.000 0.360 69 C C -0.838 174.157 174.990 0.009 0.000 1.695 69 C CA -0.813 58.217 59.018 0.019 0.000 1.366 69 C CB 1.924 29.680 27.740 0.028 0.000 2.121 69 C HN 0.560 nan 8.230 nan 0.000 0.442 70 I N 1.741 122.319 120.570 0.013 0.000 2.404 70 I HA 0.461 4.631 4.170 -0.001 0.000 0.293 70 I C -0.284 175.843 176.117 0.016 0.000 0.992 70 I CA -0.659 60.648 61.300 0.013 0.000 1.149 70 I CB 1.236 39.243 38.000 0.011 0.000 1.315 70 I HN 0.322 nan 8.210 nan 0.000 0.446 71 V N 7.157 127.083 119.914 0.020 0.000 2.370 71 V HA 0.471 4.591 4.120 -0.001 0.000 0.279 71 V C 0.385 176.492 176.094 0.021 0.000 1.029 71 V CA -0.419 61.892 62.300 0.018 0.000 0.870 71 V CB 1.467 33.299 31.823 0.015 0.000 0.984 71 V HN 0.471 nan 8.190 nan 0.000 0.451 72 L N 3.512 124.745 121.223 0.016 0.000 2.271 72 L HA 0.740 5.079 4.340 -0.001 0.000 0.265 72 L C 0.448 177.323 176.870 0.008 0.000 1.013 72 L CA -0.577 54.272 54.840 0.015 0.000 0.820 72 L CB 2.230 44.297 42.059 0.014 0.000 1.352 72 L HN 0.701 nan 8.230 nan 0.000 0.443 73 S N -1.392 114.312 115.700 0.006 0.000 2.722 73 S HA 0.620 5.089 4.470 -0.001 0.000 0.292 73 S C -1.167 173.434 174.600 0.002 0.000 1.135 73 S CA -0.585 57.614 58.200 -0.000 0.000 1.003 73 S CB 2.179 65.376 63.200 -0.005 0.000 1.067 73 S HN 0.671 nan 8.310 nan 0.000 0.546 74 D N -0.602 119.798 120.400 -0.001 0.000 2.937 74 D HA 0.261 4.900 4.640 -0.001 0.000 0.215 74 D C -0.792 175.507 176.300 -0.001 0.000 1.274 74 D CA -0.388 53.612 54.000 0.001 0.000 0.869 74 D CB 1.966 42.768 40.800 0.003 0.000 1.675 74 D HN 0.497 nan 8.370 nan 0.000 0.538 75 D N 0.859 121.259 120.400 -0.001 0.000 2.317 75 D HA -0.064 4.576 4.640 -0.001 0.000 0.211 75 D C 1.782 178.081 176.300 -0.001 0.000 0.966 75 D CA 0.943 54.942 54.000 -0.002 0.000 0.876 75 D CB -0.084 40.715 40.800 -0.001 0.000 0.927 75 D HN 0.453 nan 8.370 nan 0.000 0.519 76 T N -2.271 112.283 114.554 0.000 0.000 3.057 76 T HA 0.018 4.367 4.350 -0.001 0.000 0.254 76 T C 0.965 175.665 174.700 0.001 0.000 1.094 76 T CA -0.389 61.712 62.100 0.001 0.000 1.088 76 T CB -0.635 68.234 68.868 0.001 0.000 0.934 76 T HN 0.196 nan 8.240 nan 0.000 0.497 77 C N 4.547 123.848 119.300 0.002 0.000 2.648 77 C HA 0.592 5.052 4.460 -0.001 0.000 0.419 77 C C 1.067 176.058 174.990 0.002 0.000 1.352 77 C CA -0.530 58.490 59.018 0.003 0.000 1.816 77 C CB -0.798 26.943 27.740 0.003 0.000 2.598 77 C HN 0.710 nan 8.230 nan 0.000 0.598 78 S N 5.097 120.799 115.700 0.003 0.000 2.439 78 S HA 0.179 4.648 4.470 -0.001 0.000 0.282 78 S C 0.909 175.511 174.600 0.002 0.000 1.170 78 S CA -0.522 57.679 58.200 0.003 0.000 1.054 78 S CB 0.773 63.977 63.200 0.005 0.000 0.956 78 S HN 0.821 nan 8.310 nan 0.000 0.490 79 D N 3.568 123.967 120.400 -0.001 0.000 2.200 79 D HA -0.300 4.339 4.640 -0.001 0.000 0.192 79 D C 1.745 178.045 176.300 -0.001 0.000 1.008 79 D CA 2.184 56.182 54.000 -0.003 0.000 0.872 79 D CB -0.228 40.568 40.800 -0.007 0.000 0.923 79 D HN 1.004 nan 8.370 nan 0.000 0.447 80 E N 1.129 121.331 120.200 0.002 0.000 2.331 80 E HA -0.090 4.260 4.350 -0.001 0.000 0.199 80 E C 0.676 177.282 176.600 0.009 0.000 1.008 80 E CA 0.856 57.259 56.400 0.005 0.000 0.843 80 E CB 0.011 29.716 29.700 0.007 0.000 0.761 80 E HN 0.236 nan 8.360 nan 0.000 0.507 81 K N 0.261 120.667 120.400 0.010 0.000 2.331 81 K HA 0.582 4.902 4.320 -0.001 0.000 0.238 81 K C -1.004 175.604 176.600 0.013 0.000 1.058 81 K CA -0.999 55.297 56.287 0.015 0.000 0.871 81 K CB 2.301 34.812 32.500 0.018 0.000 1.292 81 K HN -0.027 nan 8.250 nan 0.000 0.470 82 I N 1.611 122.191 120.570 0.017 0.000 2.493 82 I HA 0.273 4.443 4.170 -0.001 0.000 0.279 82 I C -0.912 175.217 176.117 0.020 0.000 1.045 82 I CA -0.643 60.666 61.300 0.016 0.000 1.106 82 I CB 0.740 38.749 38.000 0.016 0.000 1.216 82 I HN 0.477 nan 8.210 nan 0.000 0.459 83 R N 8.335 128.846 120.500 0.019 0.000 2.537 83 R HA 0.510 4.850 4.340 -0.001 0.000 0.280 83 R C -0.401 175.913 176.300 0.024 0.000 1.058 83 R CA 0.301 56.414 56.100 0.022 0.000 1.057 83 R CB 0.760 31.072 30.300 0.019 0.000 0.973 83 R HN 0.707 nan 8.270 nan 0.000 0.438 84 M N -0.030 119.587 119.600 0.028 0.000 2.562 84 M HA 0.331 4.811 4.480 -0.001 0.000 0.281 84 M C -1.623 174.695 176.300 0.030 0.000 1.195 84 M CA -1.312 54.006 55.300 0.029 0.000 0.888 84 M CB 2.071 34.689 32.600 0.030 0.000 1.731 84 M HN 0.440 nan 8.290 nan 0.000 0.493 85 N N 0.702 119.420 118.700 0.030 0.000 2.493 85 N HA 0.383 5.123 4.740 -0.001 0.000 0.275 85 N C 0.270 175.790 175.510 0.017 0.000 1.186 85 N CA -0.783 52.281 53.050 0.024 0.000 0.978 85 N CB 1.079 39.581 38.487 0.025 0.000 1.184 85 N HN 0.894 nan 8.380 nan 0.000 0.487 86 R N 0.457 120.956 120.500 -0.000 0.000 2.244 86 R HA -0.162 4.178 4.340 -0.001 0.000 0.252 86 R C 0.822 177.116 176.300 -0.010 0.000 1.177 86 R CA 1.304 57.393 56.100 -0.019 0.000 1.004 86 R CB -0.453 29.816 30.300 -0.052 0.000 0.873 86 R HN 0.594 nan 8.270 nan 0.000 0.469 87 V N -0.405 119.514 119.914 0.007 0.000 2.270 87 V HA -0.222 3.898 4.120 -0.001 0.000 0.245 87 V C 2.384 178.504 176.094 0.044 0.000 1.043 87 V CA 1.671 63.986 62.300 0.024 0.000 1.014 87 V CB -0.413 31.441 31.823 0.051 0.000 0.645 87 V HN 0.128 nan 8.190 nan 0.000 0.447 88 V N -0.216 119.729 119.914 0.052 0.000 2.237 88 V HA -0.269 3.850 4.120 -0.001 0.000 0.245 88 V C 2.584 178.703 176.094 0.041 0.000 1.046 88 V CA 2.354 64.688 62.300 0.057 0.000 1.007 88 V CB -0.792 31.063 31.823 0.053 0.000 0.638 88 V HN 0.434 nan 8.190 nan 0.000 0.445 89 R N -0.038 120.479 120.500 0.029 0.000 2.178 89 R HA -0.273 4.067 4.340 -0.001 0.000 0.257 89 R C 2.287 178.595 176.300 0.014 0.000 1.163 89 R CA 2.154 58.266 56.100 0.020 0.000 0.981 89 R CB -0.389 29.918 30.300 0.011 0.000 0.878 89 R HN 0.541 nan 8.270 nan 0.000 0.454 90 N N 0.425 119.131 118.700 0.009 0.000 2.135 90 N HA -0.101 4.639 4.740 -0.001 0.000 0.186 90 N C 1.119 176.639 175.510 0.016 0.000 1.027 90 N CA 1.384 54.435 53.050 0.002 0.000 0.849 90 N CB -0.273 38.207 38.487 -0.010 0.000 1.002 90 N HN 0.406 nan 8.380 nan 0.000 0.425 91 N N 0.326 119.046 118.700 0.033 0.000 2.364 91 N HA -0.061 4.678 4.740 -0.001 0.000 0.183 91 N C 1.160 176.696 175.510 0.044 0.000 1.022 91 N CA 0.389 53.468 53.050 0.048 0.000 0.883 91 N CB 0.083 38.614 38.487 0.074 0.000 0.965 91 N HN 0.229 nan 8.380 nan 0.000 0.438 92 L N 0.470 121.716 121.223 0.038 0.000 2.592 92 L HA 0.205 4.545 4.340 -0.001 0.000 0.227 92 L C 0.113 176.999 176.870 0.027 0.000 1.127 92 L CA -0.157 54.704 54.840 0.035 0.000 0.884 92 L CB 0.082 42.161 42.059 0.033 0.000 1.065 92 L HN 0.049 nan 8.230 nan 0.000 0.457 93 R N 0.603 121.116 120.500 0.021 0.000 3.322 93 R HA -0.144 4.195 4.340 -0.001 0.000 0.253 93 R C -0.479 175.829 176.300 0.014 0.000 0.987 93 R CA 0.821 56.930 56.100 0.015 0.000 0.666 93 R CB -2.417 27.893 30.300 0.017 0.000 1.072 93 R HN 0.366 nan 8.270 nan 0.000 0.447 94 V N -3.284 116.638 119.914 0.012 0.000 3.158 94 V HA 0.855 4.975 4.120 -0.001 0.000 0.311 94 V C 0.266 176.363 176.094 0.006 0.000 1.181 94 V CA -1.300 61.008 62.300 0.013 0.000 1.054 94 V CB 3.090 34.926 31.823 0.021 0.000 1.085 94 V HN 0.104 nan 8.190 nan 0.000 0.446 95 R N 0.287 120.794 120.500 0.011 0.000 2.939 95 R HA 0.623 4.963 4.340 -0.001 0.000 0.254 95 R C -0.754 175.565 176.300 0.031 0.000 1.123 95 R CA -1.043 55.062 56.100 0.009 0.000 1.020 95 R CB 1.417 31.719 30.300 0.003 0.000 1.206 95 R HN 0.794 nan 8.270 nan 0.000 0.491 96 L N 1.863 123.116 121.223 0.051 0.000 2.451 96 L HA 0.204 4.544 4.340 -0.001 0.000 0.272 96 L C 0.915 177.831 176.870 0.077 0.000 1.258 96 L CA 0.559 55.447 54.840 0.081 0.000 1.132 96 L CB -0.092 42.058 42.059 0.152 0.000 1.361 96 L HN 1.091 nan 8.230 nan 0.000 0.438 97 G N 0.169 109.006 108.800 0.063 0.000 3.658 97 G HA2 -0.132 3.827 3.960 -0.001 0.000 0.220 97 G HA3 -0.132 3.827 3.960 -0.001 0.000 0.220 97 G C 0.040 174.984 174.900 0.074 0.000 0.917 97 G CA -0.638 44.505 45.100 0.071 0.000 0.865 97 G HN 0.432 nan 8.290 nan 0.000 0.652 98 D N 0.147 120.582 120.400 0.059 0.000 2.398 98 D HA 0.538 5.177 4.640 -0.001 0.000 0.264 98 D C 0.772 177.102 176.300 0.049 0.000 1.263 98 D CA 0.640 54.674 54.000 0.057 0.000 1.037 98 D CB 1.362 42.188 40.800 0.043 0.000 1.101 98 D HN 0.853 nan 8.370 nan 0.000 0.551 99 V N -2.358 117.582 119.914 0.043 0.000 2.876 99 V HA 0.684 4.804 4.120 -0.001 0.000 0.312 99 V C -1.053 175.059 176.094 0.030 0.000 1.085 99 V CA -0.796 61.525 62.300 0.035 0.000 0.945 99 V CB 1.958 33.801 31.823 0.032 0.000 1.017 99 V HN 0.283 nan 8.190 nan 0.000 0.428 100 I N 2.719 123.304 120.570 0.026 0.000 2.934 100 I HA 0.626 4.796 4.170 -0.001 0.000 0.306 100 I C 0.168 176.297 176.117 0.020 0.000 1.110 100 I CA -0.424 60.890 61.300 0.024 0.000 1.019 100 I CB 2.538 40.553 38.000 0.025 0.000 1.227 100 I HN 1.006 nan 8.210 nan 0.000 0.434 101 S N 4.330 120.042 115.700 0.019 0.000 2.422 101 S HA 0.626 5.096 4.470 -0.001 0.000 0.308 101 S C -0.293 174.316 174.600 0.014 0.000 1.097 101 S CA -0.567 57.642 58.200 0.016 0.000 1.099 101 S CB 1.237 64.448 63.200 0.017 0.000 0.976 101 S HN 0.532 nan 8.310 nan 0.000 0.471 102 I N 2.122 122.698 120.570 0.009 0.000 3.021 102 I HA 0.435 4.605 4.170 -0.001 0.000 0.303 102 I C -0.217 175.901 176.117 0.003 0.000 1.044 102 I CA -0.376 60.927 61.300 0.006 0.000 1.266 102 I CB 1.290 39.291 38.000 0.003 0.000 1.447 102 I HN 0.899 nan 8.210 nan 0.000 0.593 103 Q N 6.040 125.839 119.800 -0.002 0.000 2.593 103 Q HA 0.303 4.643 4.340 -0.001 0.000 0.242 103 Q C -2.811 173.183 176.000 -0.010 0.000 0.944 103 Q CA -1.347 54.455 55.803 -0.003 0.000 1.041 103 Q CB 2.108 30.846 28.738 0.000 0.000 1.588 103 Q HN 0.253 nan 8.270 nan 0.000 0.464 104 P HA 0.043 nan 4.420 nan 0.000 0.268 104 P C -0.453 176.836 177.300 -0.018 0.000 1.205 104 P CA -0.102 62.999 63.100 0.003 0.000 0.771 104 P CB 0.948 32.665 31.700 0.028 0.000 0.858 105 C N 6.273 125.549 119.300 -0.038 0.000 3.335 105 C HA 0.301 4.761 4.460 -0.001 0.000 0.217 105 C C -1.103 173.855 174.990 -0.054 0.000 1.330 105 C CA -1.781 57.184 59.018 -0.088 0.000 1.470 105 C CB -0.361 27.254 27.740 -0.209 0.000 1.806 105 C HN 0.479 nan 8.230 nan 0.000 0.468 106 P HA 0.081 nan 4.420 nan 0.000 0.241 106 P C 0.005 177.320 177.300 0.025 0.000 1.191 106 P CA 1.054 64.162 63.100 0.014 0.000 0.771 106 P CB 0.204 31.919 31.700 0.026 0.000 0.929 107 D N 0.155 120.571 120.400 0.026 0.000 2.590 107 D HA 0.299 4.938 4.640 -0.001 0.000 0.280 107 D C -1.144 175.230 176.300 0.123 0.000 1.197 107 D CA -0.370 53.672 54.000 0.070 0.000 0.967 107 D CB 0.011 40.859 40.800 0.081 0.000 0.987 107 D HN -0.216 nan 8.370 nan 0.000 0.508 108 V N 3.077 123.055 119.914 0.107 0.000 2.623 108 V HA 0.404 4.524 4.120 -0.001 0.000 0.304 108 V C -0.502 175.701 176.094 0.181 0.000 1.054 108 V CA -0.805 61.597 62.300 0.171 0.000 0.882 108 V CB 2.043 33.888 31.823 0.036 0.000 1.002 108 V HN 0.184 nan 8.190 nan 0.000 0.424 109 K N 3.672 124.198 120.400 0.209 0.000 2.318 109 K HA 0.614 4.933 4.320 -0.001 0.000 0.249 109 K C -1.212 175.567 176.600 0.299 0.000 0.942 109 K CA -1.041 55.391 56.287 0.241 0.000 0.808 109 K CB 1.620 34.206 32.500 0.144 0.000 1.189 109 K HN 0.363 nan 8.250 nan 0.000 0.428 110 Y N 1.672 122.003 120.300 0.052 0.000 2.861 110 Y HA -0.086 4.463 4.550 -0.001 0.000 0.375 110 Y C 1.453 177.359 175.900 0.010 0.000 1.293 110 Y CA 0.648 58.769 58.100 0.036 0.000 1.651 110 Y CB -1.126 37.360 38.460 0.044 0.000 1.156 110 Y HN 0.819 nan 8.280 nan 0.000 0.533 111 G N 3.613 112.470 108.800 0.095 0.000 2.559 111 G HA2 0.013 3.972 3.960 -0.001 0.000 0.235 111 G HA3 0.013 3.972 3.960 -0.001 0.000 0.235 111 G C 0.868 175.785 174.900 0.029 0.000 1.266 111 G CA -0.431 44.692 45.100 0.039 0.000 0.847 111 G HN 0.755 nan 8.290 nan 0.000 0.583 112 K N 0.273 120.683 120.400 0.017 0.000 2.121 112 K HA 0.121 4.441 4.320 -0.001 0.000 0.203 112 K C 0.923 177.516 176.600 -0.011 0.000 1.041 112 K CA 0.489 56.781 56.287 0.008 0.000 0.969 112 K CB 0.212 32.717 32.500 0.008 0.000 0.799 112 K HN 0.543 nan 8.250 nan 0.000 0.456 113 R N 0.133 120.626 120.500 -0.012 0.000 2.854 113 R HA 0.476 4.816 4.340 -0.001 0.000 0.271 113 R C -0.976 175.320 176.300 -0.006 0.000 0.994 113 R CA -0.900 55.194 56.100 -0.009 0.000 0.945 113 R CB 1.896 32.196 30.300 -0.001 0.000 1.194 113 R HN -0.002 nan 8.270 nan 0.000 0.476 114 I N 1.245 121.823 120.570 0.014 0.000 2.722 114 I HA 0.223 4.393 4.170 -0.001 0.000 0.295 114 I C -1.191 175.016 176.117 0.150 0.000 1.161 114 I CA -0.639 60.682 61.300 0.034 0.000 1.032 114 I CB 2.032 39.992 38.000 -0.067 0.000 1.244 114 I HN 0.691 nan 8.210 nan 0.000 0.421 115 H N 5.166 124.255 119.070 0.032 0.000 3.092 115 H HA 0.630 5.186 4.556 -0.001 0.000 0.308 115 H C -1.237 174.143 175.328 0.087 0.000 1.047 115 H CA -0.502 55.577 56.048 0.051 0.000 1.466 115 H CB 1.085 30.829 29.762 -0.029 0.000 1.597 115 H HN 0.339 nan 8.280 nan 0.000 0.512 116 V N 2.854 122.705 119.914 -0.104 0.000 2.881 116 V HA 0.715 4.834 4.120 -0.001 0.000 0.316 116 V C -0.834 175.188 176.094 -0.119 0.000 1.070 116 V CA -0.881 61.400 62.300 -0.031 0.000 0.976 116 V CB 2.160 34.077 31.823 0.157 0.000 1.038 116 V HN 0.576 nan 8.190 nan 0.000 0.446 117 L N 2.202 123.431 121.223 0.009 0.000 2.422 117 L HA 0.610 4.949 4.340 -0.001 0.000 0.264 117 L C -2.722 174.251 176.870 0.172 0.000 0.984 117 L CA -1.897 52.978 54.840 0.059 0.000 0.819 117 L CB 3.116 45.151 42.059 -0.039 0.000 1.330 117 L HN 0.462 nan 8.230 nan 0.000 0.410 118 P HA 0.166 nan 4.420 nan 0.000 0.271 118 P C -0.724 176.489 177.300 -0.145 0.000 1.218 118 P CA 0.010 63.060 63.100 -0.083 0.000 0.780 118 P CB 0.519 32.200 31.700 -0.032 0.000 0.901 119 I N 2.709 123.123 120.570 -0.261 0.000 2.269 119 I HA 0.027 4.197 4.170 -0.001 0.000 0.293 119 I C 1.097 177.115 176.117 -0.165 0.000 1.106 119 I CA -0.177 61.010 61.300 -0.188 0.000 1.248 119 I CB 0.219 38.091 38.000 -0.215 0.000 1.444 119 I HN 0.464 nan 8.210 nan 0.000 0.497 120 D N 4.039 124.374 120.400 -0.107 0.000 3.000 120 D HA -0.407 4.232 4.640 -0.001 0.000 0.196 120 D C 1.290 177.534 176.300 -0.093 0.000 1.110 120 D CA 2.486 56.437 54.000 -0.082 0.000 0.873 120 D CB -0.465 40.303 40.800 -0.053 0.000 0.948 120 D HN 0.740 nan 8.370 nan 0.000 0.496 121 D N -0.845 119.496 120.400 -0.097 0.000 2.263 121 D HA -0.152 4.488 4.640 -0.001 0.000 0.208 121 D C 1.890 178.118 176.300 -0.121 0.000 0.971 121 D CA 2.066 56.009 54.000 -0.094 0.000 0.867 121 D CB -0.806 39.942 40.800 -0.087 0.000 0.929 121 D HN 0.580 nan 8.370 nan 0.000 0.492 122 T N -2.326 112.128 114.554 -0.168 0.000 3.065 122 T HA 0.055 4.405 4.350 -0.001 0.000 0.252 122 T C 1.594 176.163 174.700 -0.218 0.000 1.099 122 T CA 0.462 62.432 62.100 -0.217 0.000 1.063 122 T CB -0.085 68.594 68.868 -0.315 0.000 0.948 122 T HN 0.218 nan 8.240 nan 0.000 0.506 123 V N -1.974 117.835 119.914 -0.174 0.000 3.427 123 V HA 0.417 4.536 4.120 -0.001 0.000 0.305 123 V C 0.242 176.298 176.094 -0.063 0.000 1.412 123 V CA -0.982 61.242 62.300 -0.126 0.000 1.086 123 V CB -0.642 31.113 31.823 -0.114 0.000 0.964 123 V HN 0.299 nan 8.190 nan 0.000 0.439 124 E N 1.567 121.729 120.200 -0.063 0.000 2.413 124 E HA 0.419 4.768 4.350 -0.001 0.000 0.263 124 E C 1.377 177.962 176.600 -0.025 0.000 1.015 124 E CA 0.914 57.292 56.400 -0.038 0.000 0.916 124 E CB 0.705 30.380 29.700 -0.041 0.000 0.947 124 E HN 0.564 nan 8.360 nan 0.000 0.440 125 G N 2.836 111.629 108.800 -0.011 0.000 2.336 125 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.233 125 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.233 125 G C 0.412 175.319 174.900 0.011 0.000 1.053 125 G CA 0.262 45.361 45.100 -0.002 0.000 0.625 125 G HN 0.638 nan 8.290 nan 0.000 0.511 126 I N -0.071 120.510 120.570 0.018 0.000 2.428 126 I HA 0.808 4.978 4.170 -0.001 0.000 0.296 126 I C -0.244 175.902 176.117 0.048 0.000 0.985 126 I CA -0.572 60.754 61.300 0.042 0.000 1.260 126 I CB 1.954 40.000 38.000 0.076 0.000 1.389 126 I HN 0.000 nan 8.210 nan 0.000 0.484 127 T N 3.611 118.196 114.554 0.050 0.000 2.900 127 T HA 0.830 5.180 4.350 -0.001 0.000 0.295 127 T C -0.142 174.593 174.700 0.058 0.000 1.044 127 T CA -0.258 61.873 62.100 0.051 0.000 0.995 127 T CB 1.691 70.580 68.868 0.035 0.000 1.072 127 T HN 1.352 nan 8.240 nan 0.000 0.473 128 G N 1.704 110.545 108.800 0.067 0.000 2.362 128 G HA2 -0.036 3.924 3.960 -0.001 0.000 0.656 128 G HA3 -0.036 3.924 3.960 -0.001 0.000 0.656 128 G C -0.983 173.974 174.900 0.095 0.000 1.376 128 G CA -1.186 43.953 45.100 0.066 0.000 0.971 128 G HN 0.872 nan 8.290 nan 0.000 0.636 129 N N 0.106 118.860 118.700 0.089 0.000 2.417 129 N HA 0.073 4.813 4.740 -0.001 0.000 0.272 129 N C 1.723 177.328 175.510 0.158 0.000 1.304 129 N CA -0.154 52.972 53.050 0.128 0.000 0.906 129 N CB 0.159 38.719 38.487 0.122 0.000 1.135 129 N HN 0.441 nan 8.380 nan 0.000 0.483 130 L N 3.856 125.224 121.223 0.241 0.000 2.395 130 L HA -0.069 4.270 4.340 -0.001 0.000 0.218 130 L C 1.845 178.918 176.870 0.338 0.000 1.130 130 L CA 0.246 55.305 54.840 0.366 0.000 0.826 130 L CB -0.348 42.006 42.059 0.492 0.000 0.941 130 L HN 0.577 nan 8.230 nan 0.000 0.451 131 F N 1.672 121.695 119.950 0.121 0.000 2.014 131 F HA -0.185 4.341 4.527 -0.001 0.000 0.295 131 F C 2.566 178.404 175.800 0.063 0.000 1.145 131 F CA 1.657 59.704 58.000 0.078 0.000 1.178 131 F CB -0.188 38.836 39.000 0.040 0.000 0.972 131 F HN -0.031 nan 8.300 nan 0.000 0.476 132 E N 0.218 120.320 120.200 -0.164 0.000 2.160 132 E HA -0.146 4.204 4.350 -0.001 0.000 0.195 132 E C 2.390 178.843 176.600 -0.245 0.000 0.991 132 E CA 1.479 57.703 56.400 -0.293 0.000 0.810 132 E CB -0.579 29.077 29.700 -0.073 0.000 0.742 132 E HN 0.398 nan 8.360 nan 0.000 0.466 133 V N -0.461 119.331 119.914 -0.203 0.000 2.599 133 V HA -0.127 3.993 4.120 -0.001 0.000 0.245 133 V C 1.503 177.311 176.094 -0.475 0.000 1.046 133 V CA 1.272 63.355 62.300 -0.362 0.000 1.065 133 V CB -0.341 31.196 31.823 -0.475 0.000 0.703 133 V HN 0.122 nan 8.190 nan 0.000 0.464 134 Y N -1.428 118.900 120.300 0.046 0.000 2.624 134 Y HA 0.288 4.838 4.550 -0.001 0.000 0.260 134 Y C 2.092 178.035 175.900 0.071 0.000 1.090 134 Y CA -0.240 57.926 58.100 0.111 0.000 1.347 134 Y CB -0.744 37.908 38.460 0.320 0.000 1.349 134 Y HN -0.109 nan 8.280 nan 0.000 0.502 135 L N 0.882 122.240 121.223 0.225 0.000 1.978 135 L HA -0.276 4.064 4.340 -0.001 0.000 0.218 135 L C 2.256 179.221 176.870 0.158 0.000 1.075 135 L CA 2.170 57.154 54.840 0.240 0.000 0.767 135 L CB -1.590 40.675 42.059 0.342 0.000 0.890 135 L HN 0.231 nan 8.230 nan 0.000 0.434 136 K N 0.982 121.212 120.400 -0.283 0.000 2.000 136 K HA -0.166 4.154 4.320 -0.001 0.000 0.218 136 K C -0.560 175.969 176.600 -0.118 0.000 1.053 136 K CA 2.075 58.124 56.287 -0.398 0.000 0.946 136 K CB -1.462 30.563 32.500 -0.792 0.000 0.723 136 K HN 0.239 nan 8.250 nan 0.000 0.446 137 P HA -0.146 nan 4.420 nan 0.000 0.230 137 P C 0.883 178.200 177.300 0.028 0.000 1.158 137 P CA 1.029 64.110 63.100 -0.032 0.000 0.769 137 P CB -0.046 31.632 31.700 -0.036 0.000 0.807 138 Y N 0.303 120.523 120.300 -0.133 0.000 2.206 138 Y HA -0.016 4.534 4.550 -0.001 0.000 0.292 138 Y C 1.947 177.625 175.900 -0.370 0.000 1.123 138 Y CA 1.173 59.104 58.100 -0.282 0.000 1.142 138 Y CB -0.862 37.322 38.460 -0.460 0.000 1.006 138 Y HN -0.258 nan 8.280 nan 0.000 0.518 139 F N -0.392 119.411 119.950 -0.246 0.000 2.387 139 F HA 0.105 4.632 4.527 -0.001 0.000 0.294 139 F C 0.722 176.376 175.800 -0.243 0.000 1.093 139 F CA -0.126 57.654 58.000 -0.367 0.000 1.420 139 F CB -0.854 37.983 39.000 -0.273 0.000 1.086 139 F HN -0.190 nan 8.300 nan 0.000 0.531 140 L N 2.816 124.052 121.223 0.022 0.000 3.009 140 L HA -0.242 4.098 4.340 -0.001 0.000 0.302 140 L C 0.793 177.654 176.870 -0.015 0.000 1.060 140 L CA 0.080 54.911 54.840 -0.015 0.000 0.941 140 L CB -0.735 41.310 42.059 -0.022 0.000 1.406 140 L HN 0.334 nan 8.230 nan 0.000 0.473 141 E N 2.075 122.263 120.200 -0.021 0.000 2.328 141 E HA -0.331 4.018 4.350 -0.001 0.000 0.233 141 E C 0.824 177.538 176.600 0.189 0.000 1.219 141 E CA 0.911 57.382 56.400 0.118 0.000 0.717 141 E CB -1.381 28.392 29.700 0.122 0.000 1.210 141 E HN 0.802 nan 8.360 nan 0.000 0.381 142 A N -0.964 121.923 122.820 0.112 0.000 1.999 142 A HA 0.210 4.530 4.320 -0.001 0.000 0.200 142 A C 0.324 178.043 177.584 0.226 0.000 1.363 142 A CA 0.591 52.683 52.037 0.092 0.000 0.844 142 A CB 0.204 19.148 19.000 -0.093 0.000 0.954 142 A HN 0.298 nan 8.150 nan 0.000 0.481 143 Y N 0.181 120.411 120.300 -0.117 0.000 3.305 143 Y HA -0.193 4.357 4.550 -0.001 0.000 0.209 143 Y C 0.273 176.081 175.900 -0.154 0.000 1.354 143 Y CA 0.385 58.373 58.100 -0.186 0.000 1.392 143 Y CB -2.223 36.102 38.460 -0.225 0.000 1.446 143 Y HN 0.407 nan 8.280 nan 0.000 0.553 144 R N 2.124 122.611 120.500 -0.022 0.000 2.370 144 R HA 0.183 4.522 4.340 -0.001 0.000 0.309 144 R C -2.167 174.119 176.300 -0.023 0.000 1.059 144 R CA -1.419 54.663 56.100 -0.031 0.000 0.981 144 R CB 0.274 30.521 30.300 -0.087 0.000 0.972 144 R HN 0.089 nan 8.270 nan 0.000 0.437 145 P HA 0.070 nan 4.420 nan 0.000 0.276 145 P C -0.555 176.765 177.300 0.033 0.000 1.235 145 P CA 0.109 63.210 63.100 0.002 0.000 0.772 145 P CB 0.648 32.349 31.700 0.001 0.000 0.871 146 I N 1.060 121.660 120.570 0.050 0.000 2.569 146 I HA 0.603 4.772 4.170 -0.001 0.000 0.290 146 I C -0.867 175.332 176.117 0.136 0.000 1.088 146 I CA -1.256 60.099 61.300 0.092 0.000 1.047 146 I CB 2.953 40.995 38.000 0.070 0.000 1.237 146 I HN 0.130 nan 8.210 nan 0.000 0.421 147 R N 5.079 125.677 120.500 0.165 0.000 2.643 147 R HA 0.447 4.787 4.340 -0.001 0.000 0.272 147 R C -0.750 175.644 176.300 0.157 0.000 0.995 147 R CA -0.730 55.482 56.100 0.188 0.000 1.032 147 R CB 1.824 32.247 30.300 0.206 0.000 1.126 147 R HN 0.904 nan 8.270 nan 0.000 0.505 148 K N 0.249 120.722 120.400 0.122 0.000 2.355 148 K HA 0.140 4.460 4.320 -0.001 0.000 0.270 148 K C 0.519 177.181 176.600 0.102 0.000 1.003 148 K CA 1.317 57.665 56.287 0.101 0.000 0.957 148 K CB 0.296 32.832 32.500 0.059 0.000 0.939 148 K HN 0.772 nan 8.250 nan 0.000 0.482 149 G N 2.501 111.361 108.800 0.100 0.000 2.253 149 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.251 149 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.251 149 G C -0.214 174.744 174.900 0.097 0.000 0.998 149 G CA 0.383 45.533 45.100 0.083 0.000 0.621 149 G HN 0.735 nan 8.290 nan 0.000 0.524 150 D N 0.206 120.691 120.400 0.142 0.000 2.362 150 D HA 0.546 5.185 4.640 -0.001 0.000 0.238 150 D C 0.792 177.197 176.300 0.175 0.000 1.212 150 D CA 0.525 54.628 54.000 0.172 0.000 0.902 150 D CB 0.670 41.611 40.800 0.235 0.000 1.180 150 D HN 0.353 nan 8.370 nan 0.000 0.445 151 I N 1.603 122.260 120.570 0.145 0.000 2.478 151 I HA 0.313 4.483 4.170 -0.001 0.000 0.287 151 I C -0.854 175.316 176.117 0.089 0.000 1.042 151 I CA -0.873 60.439 61.300 0.021 0.000 1.067 151 I CB 0.811 38.783 38.000 -0.046 0.000 1.233 151 I HN 0.247 nan 8.210 nan 0.000 0.431 152 F N 5.652 125.644 119.950 0.070 0.000 2.575 152 F HA 0.843 5.370 4.527 -0.001 0.000 0.330 152 F C -1.027 174.714 175.800 -0.099 0.000 1.056 152 F CA -1.363 56.648 58.000 0.019 0.000 0.964 152 F CB 1.184 40.244 39.000 0.100 0.000 1.258 152 F HN 0.253 nan 8.300 nan 0.000 0.484 153 L N 1.984 123.198 121.223 -0.016 0.000 2.334 153 L HA 0.880 5.219 4.340 -0.001 0.000 0.276 153 L C -1.571 175.131 176.870 -0.280 0.000 1.014 153 L CA -0.669 54.063 54.840 -0.179 0.000 0.815 153 L CB 1.999 43.980 42.059 -0.130 0.000 1.268 153 L HN 0.611 nan 8.230 nan 0.000 0.428 154 V N 4.724 124.467 119.914 -0.285 0.000 2.623 154 V HA 0.579 4.699 4.120 -0.001 0.000 0.304 154 V C -0.342 175.676 176.094 -0.126 0.000 1.054 154 V CA -0.626 61.536 62.300 -0.229 0.000 0.882 154 V CB 1.704 33.464 31.823 -0.104 0.000 1.002 154 V HN 0.751 nan 8.190 nan 0.000 0.424 155 R N 2.581 123.079 120.500 -0.003 0.000 2.346 155 R HA 0.826 5.166 4.340 -0.001 0.000 0.311 155 R C 0.193 176.603 176.300 0.184 0.000 0.983 155 R CA -0.295 55.837 56.100 0.053 0.000 0.880 155 R CB 2.006 32.316 30.300 0.018 0.000 1.100 155 R HN 1.021 nan 8.270 nan 0.000 0.453 156 G N -0.613 108.339 108.800 0.253 0.000 2.316 156 G HA2 0.330 4.290 3.960 -0.001 0.000 0.296 156 G HA3 0.330 4.290 3.960 -0.001 0.000 0.296 156 G C -0.003 175.033 174.900 0.227 0.000 1.399 156 G CA -0.129 45.104 45.100 0.221 0.000 0.833 156 G HN 0.717 nan 8.290 nan 0.000 0.565 157 G N -0.346 108.504 108.800 0.083 0.000 2.258 157 G HA2 -0.053 3.906 3.960 -0.001 0.000 0.274 157 G HA3 -0.053 3.906 3.960 -0.001 0.000 0.274 157 G C 0.927 175.880 174.900 0.088 0.000 1.021 157 G CA 1.100 46.243 45.100 0.072 0.000 0.798 157 G HN 1.967 nan 8.290 nan 0.000 0.507 158 M N -2.390 117.254 119.600 0.075 0.000 2.399 158 M HA -0.240 4.240 4.480 -0.001 0.000 0.191 158 M C 0.692 177.021 176.300 0.047 0.000 0.732 158 M CA 2.000 57.333 55.300 0.056 0.000 0.512 158 M CB -1.679 30.945 32.600 0.041 0.000 1.191 158 M HN 1.290 nan 8.290 nan 0.000 0.894 159 R N -1.531 118.999 120.500 0.050 0.000 3.084 159 R HA 0.851 5.191 4.340 -0.001 0.000 0.280 159 R C -1.844 174.438 176.300 -0.029 0.000 0.935 159 R CA -0.682 55.419 56.100 0.003 0.000 0.815 159 R CB 0.837 31.134 30.300 -0.006 0.000 1.457 159 R HN 0.478 nan 8.270 nan 0.000 0.499 160 A N 0.799 123.547 122.820 -0.119 0.000 2.381 160 A HA 0.686 5.006 4.320 -0.001 0.000 0.299 160 A C -1.020 176.358 177.584 -0.345 0.000 1.049 160 A CA -0.737 51.178 52.037 -0.204 0.000 0.715 160 A CB 1.911 20.817 19.000 -0.157 0.000 1.222 160 A HN 0.392 nan 8.150 nan 0.000 0.428 161 V N 1.701 121.275 119.914 -0.566 0.000 2.713 161 V HA 0.475 4.594 4.120 -0.001 0.000 0.307 161 V C 0.046 175.700 176.094 -0.734 0.000 1.052 161 V CA -0.555 61.304 62.300 -0.734 0.000 0.967 161 V CB 1.737 32.887 31.823 -1.121 0.000 1.019 161 V HN 0.935 nan 8.190 nan 0.000 0.459 162 E N 2.079 121.829 120.200 -0.749 0.000 2.187 162 E HA 0.578 4.927 4.350 -0.001 0.000 0.268 162 E C -1.675 174.417 176.600 -0.846 0.000 0.896 162 E CA -0.336 55.675 56.400 -0.649 0.000 0.766 162 E CB 1.939 31.399 29.700 -0.400 0.000 1.142 162 E HN 0.474 nan 8.360 nan 0.000 0.408 163 F N 1.561 121.117 119.950 -0.656 0.000 2.556 163 F HA 0.461 4.988 4.527 -0.001 0.000 0.327 163 F C 0.141 175.514 175.800 -0.711 0.000 1.059 163 F CA -0.867 56.709 58.000 -0.706 0.000 0.953 163 F CB 1.693 40.136 39.000 -0.929 0.000 1.227 163 F HN 0.148 nan 8.300 nan 0.000 0.478 164 K N 1.242 121.556 120.400 -0.143 0.000 2.426 164 K HA 0.599 4.918 4.320 -0.001 0.000 0.254 164 K C -1.683 174.973 176.600 0.094 0.000 0.936 164 K CA -0.632 55.629 56.287 -0.044 0.000 0.801 164 K CB 1.684 34.167 32.500 -0.029 0.000 1.139 164 K HN 0.458 nan 8.250 nan 0.000 0.424 165 V N 5.679 125.722 119.914 0.215 0.000 2.390 165 V HA -0.019 4.101 4.120 -0.001 0.000 0.260 165 V C 1.277 177.450 176.094 0.133 0.000 1.043 165 V CA -0.116 62.325 62.300 0.236 0.000 1.047 165 V CB 0.506 32.498 31.823 0.282 0.000 1.066 165 V HN 0.702 nan 8.190 nan 0.000 0.481 166 V N 3.025 122.997 119.914 0.096 0.000 2.453 166 V HA 0.015 4.134 4.120 -0.001 0.000 0.247 166 V C 0.816 176.970 176.094 0.099 0.000 1.048 166 V CA 1.421 63.772 62.300 0.086 0.000 1.049 166 V CB -0.241 31.631 31.823 0.081 0.000 0.672 166 V HN 0.927 nan 8.190 nan 0.000 0.457 167 E N -0.185 120.085 120.200 0.117 0.000 2.354 167 E HA 0.407 4.756 4.350 -0.001 0.000 0.283 167 E C -0.740 175.902 176.600 0.071 0.000 0.938 167 E CA -0.284 56.166 56.400 0.083 0.000 0.777 167 E CB 1.778 31.517 29.700 0.066 0.000 1.222 167 E HN 0.255 nan 8.360 nan 0.000 0.423 168 T N 1.077 115.654 114.554 0.039 0.000 2.792 168 T HA 0.368 4.718 4.350 -0.001 0.000 0.280 168 T C 0.602 175.302 174.700 0.001 0.000 0.990 168 T CA -0.413 61.700 62.100 0.023 0.000 0.960 168 T CB 1.548 70.431 68.868 0.026 0.000 0.939 168 T HN 0.455 nan 8.240 nan 0.000 0.439 169 D N 3.116 123.515 120.400 -0.003 0.000 2.137 169 D HA -0.054 4.586 4.640 -0.001 0.000 0.189 169 D C -1.462 174.829 176.300 -0.016 0.000 0.998 169 D CA 1.187 55.181 54.000 -0.011 0.000 0.839 169 D CB -0.732 40.063 40.800 -0.008 0.000 0.962 169 D HN 0.492 nan 8.370 nan 0.000 0.446 170 P HA 0.186 nan 4.420 nan 0.000 0.244 170 P C -1.075 176.189 177.300 -0.060 0.000 1.769 170 P CA -0.035 63.055 63.100 -0.016 0.000 1.102 170 P CB 1.001 32.715 31.700 0.022 0.000 1.937 171 S N 3.947 119.597 115.700 -0.083 0.000 2.558 171 S HA 0.048 4.518 4.470 -0.001 0.000 0.287 171 S C -0.603 173.818 174.600 -0.299 0.000 1.321 171 S CA -0.366 57.753 58.200 -0.136 0.000 1.048 171 S CB 0.153 63.294 63.200 -0.097 0.000 0.844 171 S HN 0.419 nan 8.310 nan 0.000 0.512 172 P HA 0.130 nan 4.420 nan 0.000 0.236 172 P C -0.483 176.736 177.300 -0.134 0.000 1.174 172 P CA 0.440 63.386 63.100 -0.256 0.000 0.840 172 P CB 0.192 31.759 31.700 -0.221 0.000 0.947 173 Y N 0.485 120.806 120.300 0.034 0.000 2.496 173 Y HA 0.673 5.222 4.550 -0.001 0.000 0.331 173 Y C 0.110 176.027 175.900 0.028 0.000 1.140 173 Y CA -1.456 56.664 58.100 0.034 0.000 1.166 173 Y CB 1.064 39.547 38.460 0.037 0.000 1.249 173 Y HN 0.051 nan 8.280 nan 0.000 0.479 174 C N 1.109 120.552 119.300 0.239 0.000 3.276 174 C HA 0.531 4.991 4.460 -0.001 0.000 0.394 174 C C -0.969 174.050 174.990 0.050 0.000 1.065 174 C CA -1.256 57.850 59.018 0.146 0.000 1.159 174 C CB -0.090 27.703 27.740 0.087 0.000 1.527 174 C HN 1.059 nan 8.230 nan 0.000 0.571 175 I N 2.331 122.908 120.570 0.011 0.000 2.575 175 I HA 0.319 4.488 4.170 -0.001 0.000 0.285 175 I C 0.133 176.126 176.117 -0.208 0.000 1.085 175 I CA -0.096 61.137 61.300 -0.111 0.000 1.403 175 I CB 1.611 39.488 38.000 -0.204 0.000 1.409 175 I HN 0.626 nan 8.210 nan 0.000 0.557 176 V N 7.092 126.838 119.914 -0.279 0.000 2.339 176 V HA 0.331 4.451 4.120 -0.001 0.000 0.261 176 V C 0.661 176.455 176.094 -0.501 0.000 1.058 176 V CA -0.404 61.669 62.300 -0.379 0.000 0.897 176 V CB 0.574 32.052 31.823 -0.574 0.000 1.052 176 V HN 0.834 nan 8.190 nan 0.000 0.480 177 A N 7.997 130.540 122.820 -0.461 0.000 2.252 177 A HA 0.713 5.032 4.320 -0.001 0.000 0.305 177 A C -0.864 176.482 177.584 -0.396 0.000 1.097 177 A CA -1.510 50.177 52.037 -0.583 0.000 0.849 177 A CB 0.374 19.312 19.000 -0.104 0.000 1.142 177 A HN 0.587 nan 8.150 nan 0.000 0.499 178 P HA -0.146 nan 4.420 nan 0.000 0.221 178 P C 0.341 177.602 177.300 -0.065 0.000 1.145 178 P CA 1.281 64.284 63.100 -0.161 0.000 0.795 178 P CB 0.168 31.830 31.700 -0.064 0.000 0.775 179 D N -0.622 119.760 120.400 -0.030 0.000 2.328 179 D HA 0.031 4.671 4.640 -0.001 0.000 0.221 179 D C -0.048 176.239 176.300 -0.022 0.000 1.072 179 D CA 0.343 54.341 54.000 -0.003 0.000 0.850 179 D CB 0.150 40.969 40.800 0.033 0.000 0.922 179 D HN 0.115 nan 8.370 nan 0.000 0.516 180 T N 0.944 115.460 114.554 -0.063 0.000 2.814 180 T HA 0.152 4.501 4.350 -0.001 0.000 0.297 180 T C 0.531 175.185 174.700 -0.077 0.000 0.956 180 T CA -0.352 61.700 62.100 -0.080 0.000 1.123 180 T CB 2.038 70.814 68.868 -0.153 0.000 0.902 180 T HN -0.218 nan 8.240 nan 0.000 0.528 181 V N 5.891 125.770 119.914 -0.058 0.000 2.405 181 V HA 0.201 4.320 4.120 -0.001 0.000 0.264 181 V C 0.571 176.622 176.094 -0.071 0.000 1.048 181 V CA -0.381 61.879 62.300 -0.066 0.000 0.966 181 V CB -0.276 31.521 31.823 -0.043 0.000 1.015 181 V HN 0.775 nan 8.190 nan 0.000 0.477 182 I N 5.118 125.617 120.570 -0.117 0.000 2.308 182 I HA 0.260 4.430 4.170 -0.001 0.000 0.293 182 I C 0.307 176.355 176.117 -0.115 0.000 1.078 182 I CA -0.127 61.114 61.300 -0.097 0.000 1.292 182 I CB 0.140 38.118 38.000 -0.036 0.000 1.423 182 I HN 0.649 nan 8.210 nan 0.000 0.493 183 H N 5.697 124.746 119.070 -0.034 0.000 2.502 183 H HA 0.345 4.900 4.556 -0.001 0.000 0.327 183 H C -0.747 174.659 175.328 0.131 0.000 1.099 183 H CA -0.341 55.738 56.048 0.051 0.000 1.323 183 H CB 1.367 31.206 29.762 0.129 0.000 1.450 183 H HN 0.667 nan 8.280 nan 0.000 0.502 184 C N 5.244 124.687 119.300 0.237 0.000 3.287 184 C HA 0.398 4.857 4.460 -0.001 0.000 0.260 184 C C 1.357 176.505 174.990 0.263 0.000 1.133 184 C CA 0.340 59.466 59.018 0.179 0.000 1.402 184 C CB -1.155 26.618 27.740 0.055 0.000 1.832 184 C HN 1.099 nan 8.230 nan 0.000 0.509 185 E N 1.388 121.888 120.200 0.500 0.000 2.114 185 E HA 0.118 4.468 4.350 -0.001 0.000 0.199 185 E C 1.618 178.331 176.600 0.188 0.000 1.008 185 E CA 1.713 58.343 56.400 0.384 0.000 0.810 185 E CB -0.872 29.069 29.700 0.402 0.000 0.739 185 E HN 2.540 nan 8.360 nan 0.000 0.456 186 G N -0.141 108.744 108.800 0.142 0.000 2.871 186 G HA2 0.088 4.048 3.960 -0.001 0.000 0.262 186 G HA3 0.088 4.048 3.960 -0.001 0.000 0.262 186 G C -0.238 174.714 174.900 0.087 0.000 1.126 186 G CA 0.433 45.599 45.100 0.109 0.000 1.130 186 G HN 0.707 nan 8.290 nan 0.000 0.549 187 E N 0.439 120.683 120.200 0.074 0.000 2.829 187 E HA 0.467 4.817 4.350 -0.001 0.000 0.350 187 E C -2.264 174.357 176.600 0.034 0.000 1.119 187 E CA -1.486 54.946 56.400 0.054 0.000 0.764 187 E CB 1.132 30.869 29.700 0.062 0.000 1.576 187 E HN 0.261 nan 8.360 nan 0.000 0.379 188 P HA -0.094 nan 4.420 nan 0.000 0.263 188 P C -0.228 177.066 177.300 -0.009 0.000 1.145 188 P CA 0.734 63.832 63.100 -0.003 0.000 0.755 188 P CB 0.097 31.788 31.700 -0.014 0.000 0.746 189 I N -0.708 119.848 120.570 -0.023 0.000 2.437 189 I HA 0.554 4.723 4.170 -0.001 0.000 0.298 189 I C 0.265 176.360 176.117 -0.036 0.000 0.984 189 I CA -1.541 59.746 61.300 -0.022 0.000 1.214 189 I CB 1.728 39.717 38.000 -0.019 0.000 1.365 189 I HN -0.010 nan 8.210 nan 0.000 0.469 190 K N 3.985 124.369 120.400 -0.026 0.000 2.326 190 K HA 0.174 4.494 4.320 -0.001 0.000 0.275 190 K C -0.195 176.383 176.600 -0.037 0.000 1.018 190 K CA -0.158 56.110 56.287 -0.031 0.000 0.962 190 K CB 0.710 33.197 32.500 -0.020 0.000 0.953 190 K HN 0.731 nan 8.250 nan 0.000 0.475 191 R N 3.153 123.626 120.500 -0.045 0.000 2.267 191 R HA 0.085 4.425 4.340 -0.001 0.000 0.319 191 R C -0.522 175.759 176.300 -0.033 0.000 1.067 191 R CA -0.034 56.036 56.100 -0.049 0.000 0.936 191 R CB 0.421 30.685 30.300 -0.060 0.000 1.006 191 R HN 0.589 nan 8.270 nan 0.000 0.452 192 E N 3.014 123.198 120.200 -0.027 0.000 2.371 192 E HA 0.005 4.354 4.350 -0.001 0.000 0.257 192 E C 0.155 176.745 176.600 -0.017 0.000 1.134 192 E CA -0.296 56.094 56.400 -0.017 0.000 0.919 192 E CB 0.530 30.223 29.700 -0.011 0.000 1.025 192 E HN 0.630 nan 8.360 nan 0.000 0.438 193 D N 1.018 121.413 120.400 -0.009 0.000 2.149 193 D HA -0.181 4.459 4.640 -0.001 0.000 0.198 193 D C 1.284 177.580 176.300 -0.007 0.000 0.990 193 D CA 1.243 55.239 54.000 -0.006 0.000 0.839 193 D CB 0.188 40.989 40.800 0.001 0.000 0.948 193 D HN 0.530 nan 8.370 nan 0.000 0.460 194 E N 0.468 120.665 120.200 -0.006 0.000 2.427 194 E HA -0.055 4.294 4.350 -0.001 0.000 0.196 194 E C -0.085 176.507 176.600 -0.013 0.000 1.028 194 E CA 0.078 56.475 56.400 -0.005 0.000 0.864 194 E CB 0.268 29.968 29.700 0.000 0.000 0.813 194 E HN 0.359 nan 8.360 nan 0.000 0.514 195 E N 1.916 122.104 120.200 -0.020 0.000 1.802 195 E HA 0.067 4.417 4.350 -0.001 0.000 0.265 195 E C -0.776 175.798 176.600 -0.043 0.000 1.168 195 E CA 0.016 56.398 56.400 -0.030 0.000 1.033 195 E CB 0.271 29.950 29.700 -0.035 0.000 1.095 195 E HN 0.173 nan 8.360 nan 0.000 0.436 196 E N 1.790 121.964 120.200 -0.043 0.000 2.415 196 E HA -0.005 4.344 4.350 -0.001 0.000 0.263 196 E C 0.214 176.771 176.600 -0.072 0.000 0.995 196 E CA -0.027 56.339 56.400 -0.056 0.000 0.915 196 E CB 0.728 30.394 29.700 -0.057 0.000 0.951 196 E HN 0.334 nan 8.360 nan 0.000 0.449 197 S N 3.461 119.111 115.700 -0.084 0.000 2.579 197 S HA 0.047 4.517 4.470 -0.001 0.000 0.275 197 S C 0.931 175.466 174.600 -0.107 0.000 1.345 197 S CA -0.518 57.621 58.200 -0.101 0.000 1.031 197 S CB 0.506 63.644 63.200 -0.105 0.000 0.892 197 S HN 0.587 nan 8.310 nan 0.000 0.529 198 L N 2.505 123.658 121.223 -0.118 0.000 2.591 198 L HA 0.173 4.512 4.340 -0.001 0.000 0.228 198 L C 1.479 178.277 176.870 -0.120 0.000 1.133 198 L CA 0.366 55.137 54.840 -0.115 0.000 0.880 198 L CB -0.545 41.443 42.059 -0.117 0.000 1.033 198 L HN 0.770 nan 8.230 nan 0.000 0.450 199 N N 0.633 119.260 118.700 -0.122 0.000 3.131 199 N HA 0.095 4.834 4.740 -0.001 0.000 0.312 199 N C -0.373 175.067 175.510 -0.116 0.000 1.433 199 N CA -0.063 52.917 53.050 -0.116 0.000 1.141 199 N CB 0.382 38.801 38.487 -0.113 0.000 1.431 199 N HN 0.114 nan 8.380 nan 0.000 0.523 200 E N -0.107 120.017 120.200 -0.127 0.000 2.343 200 E HA 0.307 4.657 4.350 -0.001 0.000 0.270 200 E C -0.932 175.571 176.600 -0.162 0.000 0.895 200 E CA -0.696 55.617 56.400 -0.145 0.000 0.767 200 E CB 2.263 31.876 29.700 -0.146 0.000 1.248 200 E HN -0.062 nan 8.360 nan 0.000 0.440 201 V N 2.116 121.916 119.914 -0.190 0.000 2.637 201 V HA 0.625 4.744 4.120 -0.001 0.000 0.296 201 V C 0.698 176.654 176.094 -0.230 0.000 1.046 201 V CA 0.623 62.806 62.300 -0.195 0.000 1.066 201 V CB 0.832 32.523 31.823 -0.220 0.000 0.968 201 V HN 0.698 nan 8.190 nan 0.000 0.483 202 G N 2.135 110.811 108.800 -0.206 0.000 2.672 202 G HA2 0.476 4.436 3.960 -0.001 0.000 0.292 202 G HA3 0.476 4.436 3.960 -0.001 0.000 0.292 202 G C -0.393 174.410 174.900 -0.160 0.000 1.375 202 G CA -0.489 44.442 45.100 -0.282 0.000 0.890 202 G HN 0.428 nan 8.290 nan 0.000 0.476 203 Y N 0.505 120.763 120.300 -0.070 0.000 2.298 203 Y HA -0.139 4.410 4.550 -0.001 0.000 0.287 203 Y C 2.549 178.417 175.900 -0.053 0.000 1.164 203 Y CA 1.467 59.533 58.100 -0.058 0.000 1.229 203 Y CB -0.265 38.170 38.460 -0.043 0.000 0.977 203 Y HN 0.599 nan 8.280 nan 0.000 0.538 204 D N -1.333 119.106 120.400 0.065 0.000 2.378 204 D HA -0.108 4.532 4.640 -0.001 0.000 0.227 204 D C 0.623 176.909 176.300 -0.024 0.000 1.012 204 D CA 0.799 54.810 54.000 0.018 0.000 0.905 204 D CB -0.384 40.413 40.800 -0.006 0.000 0.895 204 D HN 0.281 nan 8.370 nan 0.000 0.532 205 D N -0.110 120.267 120.400 -0.037 0.000 2.369 205 D HA 0.088 4.728 4.640 -0.001 0.000 0.211 205 D C -0.225 176.048 176.300 -0.045 0.000 1.077 205 D CA 0.018 53.972 54.000 -0.077 0.000 0.842 205 D CB 1.405 42.144 40.800 -0.102 0.000 0.947 205 D HN 0.096 nan 8.370 nan 0.000 0.509 206 V N 0.861 120.774 119.914 -0.000 0.000 2.378 206 V HA 0.661 4.781 4.120 -0.001 0.000 0.288 206 V C 0.568 176.672 176.094 0.017 0.000 1.016 206 V CA -0.812 61.497 62.300 0.016 0.000 0.840 206 V CB 1.749 33.593 31.823 0.034 0.000 0.994 206 V HN 0.021 nan 8.190 nan 0.000 0.431 207 G N 1.843 110.656 108.800 0.021 0.000 2.473 207 G HA2 0.613 4.573 3.960 -0.001 0.000 0.321 207 G HA3 0.613 4.573 3.960 -0.001 0.000 0.321 207 G C 0.736 175.648 174.900 0.020 0.000 1.200 207 G CA 0.071 45.183 45.100 0.021 0.000 0.963 207 G HN 1.445 nan 8.290 nan 0.000 0.483 208 G N -1.203 107.604 108.800 0.013 0.000 2.320 208 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.242 208 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.242 208 G C 0.516 175.414 174.900 -0.003 0.000 1.033 208 G CA 0.642 45.747 45.100 0.010 0.000 0.620 208 G HN 1.225 nan 8.290 nan 0.000 0.517 209 C N 1.794 121.089 119.300 -0.008 0.000 2.258 209 C HA 0.726 5.185 4.460 -0.001 0.000 0.321 209 C C 1.451 176.423 174.990 -0.031 0.000 1.168 209 C CA -0.360 58.645 59.018 -0.022 0.000 1.531 209 C CB 0.371 28.096 27.740 -0.025 0.000 2.095 209 C HN 0.584 nan 8.230 nan 0.000 0.449 210 R N 1.345 121.825 120.500 -0.033 0.000 2.197 210 R HA 0.090 4.430 4.340 -0.001 0.000 0.188 210 R C 1.734 178.005 176.300 -0.048 0.000 1.015 210 R CA 0.010 56.085 56.100 -0.042 0.000 1.132 210 R CB -0.043 30.239 30.300 -0.029 0.000 1.134 210 R HN 0.405 nan 8.270 nan 0.000 0.560 211 K N 1.569 121.948 120.400 -0.036 0.000 2.009 211 K HA -0.125 4.195 4.320 -0.001 0.000 0.210 211 K C 2.026 178.602 176.600 -0.040 0.000 1.049 211 K CA 1.401 57.669 56.287 -0.033 0.000 0.929 211 K CB -0.323 32.163 32.500 -0.024 0.000 0.714 211 K HN 0.189 nan 8.250 nan 0.000 0.440 212 Q N 1.195 120.969 119.800 -0.043 0.000 1.935 212 Q HA -0.182 4.158 4.340 -0.001 0.000 0.212 212 Q C 2.219 178.187 176.000 -0.054 0.000 1.008 212 Q CA 1.210 56.985 55.803 -0.047 0.000 0.868 212 Q CB -1.205 27.502 28.738 -0.051 0.000 0.946 212 Q HN 0.216 nan 8.270 nan 0.000 0.418 213 L N 0.756 121.936 121.223 -0.072 0.000 2.450 213 L HA -0.113 4.226 4.340 -0.001 0.000 0.225 213 L C 1.960 178.740 176.870 -0.150 0.000 1.145 213 L CA 1.645 56.414 54.840 -0.117 0.000 0.801 213 L CB -0.822 41.149 42.059 -0.146 0.000 0.924 213 L HN 0.271 nan 8.230 nan 0.000 0.447 214 A N -1.202 121.555 122.820 -0.103 0.000 1.835 214 A HA -0.183 4.137 4.320 -0.001 0.000 0.213 214 A C 2.091 179.639 177.584 -0.060 0.000 1.210 214 A CA 1.314 53.297 52.037 -0.090 0.000 0.605 214 A CB -0.497 18.468 19.000 -0.059 0.000 0.860 214 A HN 0.545 nan 8.150 nan 0.000 0.447 215 Q N -0.253 119.527 119.800 -0.034 0.000 2.014 215 Q HA -0.200 4.140 4.340 -0.001 0.000 0.207 215 Q C 2.085 178.082 176.000 -0.004 0.000 0.993 215 Q CA 1.858 57.657 55.803 -0.008 0.000 0.850 215 Q CB -0.510 28.231 28.738 0.004 0.000 0.916 215 Q HN 0.705 nan 8.270 nan 0.000 0.417 216 I N 0.852 121.416 120.570 -0.011 0.000 2.236 216 I HA -0.346 3.824 4.170 -0.001 0.000 0.249 216 I C 2.414 178.527 176.117 -0.007 0.000 1.102 216 I CA 1.347 62.649 61.300 0.002 0.000 1.365 216 I CB -0.350 37.648 38.000 -0.003 0.000 1.051 216 I HN 0.223 nan 8.210 nan 0.000 0.420 217 K N 0.795 121.162 120.400 -0.054 0.000 1.985 217 K HA -0.238 4.082 4.320 -0.001 0.000 0.210 217 K C 2.054 178.652 176.600 -0.003 0.000 1.047 217 K CA 2.141 58.392 56.287 -0.061 0.000 0.932 217 K CB -0.318 32.096 32.500 -0.142 0.000 0.716 217 K HN 0.524 nan 8.250 nan 0.000 0.439 218 E N 0.962 121.163 120.200 0.003 0.000 2.085 218 E HA -0.235 4.114 4.350 -0.001 0.000 0.194 218 E C 2.100 178.732 176.600 0.054 0.000 0.994 218 E CA 1.217 57.638 56.400 0.035 0.000 0.801 218 E CB -0.375 29.345 29.700 0.033 0.000 0.743 218 E HN 0.238 nan 8.360 nan 0.000 0.453 219 M N 0.943 120.570 119.600 0.044 0.000 2.110 219 M HA -0.189 4.291 4.480 -0.001 0.000 0.257 219 M C 2.442 178.769 176.300 0.046 0.000 1.071 219 M CA 1.847 57.177 55.300 0.050 0.000 1.096 219 M CB -0.267 32.361 32.600 0.047 0.000 1.300 219 M HN 0.075 nan 8.290 nan 0.000 0.411 220 V N -0.201 119.738 119.914 0.042 0.000 2.809 220 V HA -0.176 3.943 4.120 -0.001 0.000 0.256 220 V C 2.040 178.162 176.094 0.046 0.000 1.080 220 V CA 1.551 63.874 62.300 0.038 0.000 1.102 220 V CB -0.766 31.088 31.823 0.052 0.000 0.705 220 V HN 0.443 nan 8.190 nan 0.000 0.475 221 E N 1.160 121.397 120.200 0.063 0.000 2.082 221 E HA -0.275 4.074 4.350 -0.001 0.000 0.215 221 E C 1.956 178.622 176.600 0.110 0.000 1.048 221 E CA 2.270 58.717 56.400 0.078 0.000 0.869 221 E CB -0.491 29.269 29.700 0.099 0.000 0.773 221 E HN 0.523 nan 8.360 nan 0.000 0.466 222 L N 0.229 121.581 121.223 0.216 0.000 1.993 222 L HA -0.031 4.309 4.340 -0.001 0.000 0.206 222 L C -0.570 176.543 176.870 0.405 0.000 1.074 222 L CA 1.403 56.488 54.840 0.408 0.000 0.746 222 L CB -1.433 40.944 42.059 0.531 0.000 0.896 222 L HN 0.277 nan 8.230 nan 0.000 0.435 223 P HA -0.195 nan 4.420 nan 0.000 0.221 223 P C 1.434 178.716 177.300 -0.031 0.000 1.145 223 P CA 1.471 64.385 63.100 -0.310 0.000 0.795 223 P CB 0.243 31.552 31.700 -0.652 0.000 0.775 224 L N -1.621 119.606 121.223 0.006 0.000 2.609 224 L HA 0.240 4.580 4.340 -0.001 0.000 0.230 224 L C 2.510 179.359 176.870 -0.036 0.000 1.087 224 L CA 0.862 55.705 54.840 0.005 0.000 0.874 224 L CB -0.192 41.878 42.059 0.019 0.000 1.114 224 L HN -0.257 nan 8.230 nan 0.000 0.488 225 R N -1.694 118.746 120.500 -0.100 0.000 2.195 225 R HA 0.232 4.572 4.340 -0.001 0.000 0.197 225 R C -0.054 176.009 176.300 -0.394 0.000 0.990 225 R CA 0.203 56.131 56.100 -0.287 0.000 1.048 225 R CB 0.377 30.402 30.300 -0.458 0.000 0.997 225 R HN 0.300 nan 8.270 nan 0.000 0.502 226 H N 0.373 119.516 119.070 0.122 0.000 2.317 226 H HA 0.247 4.802 4.556 -0.001 0.000 0.231 226 H C -2.074 173.380 175.328 0.209 0.000 1.442 226 H CA -2.314 53.811 56.048 0.128 0.000 1.336 226 H CB 1.175 31.014 29.762 0.129 0.000 1.533 226 H HN -0.045 nan 8.280 nan 0.000 0.522 227 P HA -0.202 nan 4.420 nan 0.000 0.210 227 P C 1.771 179.236 177.300 0.276 0.000 1.185 227 P CA 2.074 65.184 63.100 0.017 0.000 0.924 227 P CB 0.249 31.614 31.700 -0.558 0.000 0.786 228 A N -0.473 122.425 122.820 0.129 0.000 1.954 228 A HA -0.278 4.042 4.320 -0.001 0.000 0.222 228 A C 2.154 179.808 177.584 0.117 0.000 1.199 228 A CA 2.296 54.413 52.037 0.133 0.000 0.657 228 A CB -1.908 17.135 19.000 0.071 0.000 0.823 228 A HN 0.237 nan 8.150 nan 0.000 0.463 229 L N -1.312 119.955 121.223 0.074 0.000 2.051 229 L HA -0.180 4.159 4.340 -0.001 0.000 0.214 229 L C 2.054 178.738 176.870 -0.310 0.000 1.076 229 L CA 2.259 57.002 54.840 -0.162 0.000 0.758 229 L CB -0.914 40.968 42.059 -0.295 0.000 0.890 229 L HN 0.372 nan 8.230 nan 0.000 0.433 230 F N -0.411 119.614 119.950 0.126 0.000 2.615 230 F HA 0.033 4.560 4.527 -0.001 0.000 0.297 230 F C 2.391 178.240 175.800 0.082 0.000 1.124 230 F CA 1.044 59.105 58.000 0.101 0.000 1.451 230 F CB -0.531 38.537 39.000 0.114 0.000 1.103 230 F HN 0.150 nan 8.300 nan 0.000 0.569 231 K N 0.918 121.455 120.400 0.228 0.000 2.155 231 K HA 0.005 4.324 4.320 -0.001 0.000 0.203 231 K C 1.952 178.596 176.600 0.074 0.000 1.052 231 K CA 1.210 57.587 56.287 0.152 0.000 0.948 231 K CB -0.112 32.493 32.500 0.175 0.000 0.728 231 K HN 0.158 nan 8.250 nan 0.000 0.448 232 A N 0.486 123.327 122.820 0.036 0.000 2.220 232 A HA 0.193 4.512 4.320 -0.001 0.000 0.211 232 A C 0.670 178.237 177.584 -0.028 0.000 1.176 232 A CA -0.220 51.816 52.037 -0.001 0.000 0.834 232 A CB 0.006 18.996 19.000 -0.017 0.000 0.868 232 A HN 0.331 nan 8.150 nan 0.000 0.488 233 I N -1.916 118.623 120.570 -0.052 0.000 2.793 233 I HA 0.634 4.803 4.170 -0.001 0.000 0.313 233 I C 1.271 177.386 176.117 -0.002 0.000 0.998 233 I CA -0.380 60.879 61.300 -0.069 0.000 1.140 233 I CB 1.851 39.734 38.000 -0.195 0.000 1.327 233 I HN -0.028 nan 8.210 nan 0.000 0.491 234 G N 3.675 112.477 108.800 0.003 0.000 2.921 234 G HA2 0.183 4.142 3.960 -0.001 0.000 0.213 234 G HA3 0.183 4.142 3.960 -0.001 0.000 0.213 234 G C 0.142 175.075 174.900 0.054 0.000 1.143 234 G CA 0.071 45.189 45.100 0.030 0.000 0.764 234 G HN 0.406 nan 8.290 nan 0.000 0.542 235 V N 0.797 120.744 119.914 0.055 0.000 2.843 235 V HA 0.199 4.318 4.120 -0.001 0.000 0.305 235 V C 0.175 176.386 176.094 0.196 0.000 1.065 235 V CA -0.001 62.356 62.300 0.096 0.000 1.116 235 V CB 1.308 33.176 31.823 0.076 0.000 0.968 235 V HN 0.126 nan 8.190 nan 0.000 0.487 236 K N 4.916 125.418 120.400 0.170 0.000 2.235 236 K HA 0.500 4.820 4.320 -0.001 0.000 0.266 236 K C -2.345 174.349 176.600 0.156 0.000 0.980 236 K CA -1.354 55.031 56.287 0.163 0.000 0.849 236 K CB 1.619 34.172 32.500 0.088 0.000 1.098 236 K HN 0.574 nan 8.250 nan 0.000 0.445 237 P HA 0.335 nan 4.420 nan 0.000 0.283 237 P C -2.746 174.524 177.300 -0.051 0.000 1.271 237 P CA -1.683 61.393 63.100 -0.039 0.000 0.841 237 P CB 0.452 31.860 31.700 -0.488 0.000 1.122 238 P HA 0.175 nan 4.420 nan 0.000 0.268 238 P C 0.233 177.507 177.300 -0.044 0.000 1.205 238 P CA 0.062 63.157 63.100 -0.008 0.000 0.771 238 P CB 1.467 33.180 31.700 0.022 0.000 0.858 239 R N 1.526 122.000 120.500 -0.043 0.000 2.167 239 R HA 0.214 4.554 4.340 -0.001 0.000 0.195 239 R C 1.181 177.434 176.300 -0.077 0.000 1.027 239 R CA 0.379 56.434 56.100 -0.075 0.000 1.114 239 R CB -0.008 30.234 30.300 -0.098 0.000 1.075 239 R HN 0.547 nan 8.270 nan 0.000 0.538 240 G N 1.562 110.302 108.800 -0.100 0.000 2.370 240 G HA2 0.560 4.519 3.960 -0.001 0.000 0.317 240 G HA3 0.560 4.519 3.960 -0.001 0.000 0.317 240 G C -0.656 174.397 174.900 0.255 0.000 1.162 240 G CA -0.439 44.624 45.100 -0.061 0.000 0.922 240 G HN 0.004 nan 8.290 nan 0.000 0.454 241 I N 2.735 123.528 120.570 0.371 0.000 2.382 241 I HA 0.239 4.408 4.170 -0.001 0.000 0.286 241 I C -0.826 175.462 176.117 0.285 0.000 1.002 241 I CA -0.783 60.684 61.300 0.279 0.000 1.135 241 I CB 2.011 40.123 38.000 0.187 0.000 1.288 241 I HN 0.211 nan 8.210 nan 0.000 0.448 242 L N 8.174 129.521 121.223 0.206 0.000 2.272 242 L HA 0.499 4.839 4.340 -0.001 0.000 0.289 242 L C -1.056 175.923 176.870 0.182 0.000 1.032 242 L CA -0.297 54.590 54.840 0.080 0.000 0.810 242 L CB 1.028 43.078 42.059 -0.015 0.000 1.205 242 L HN 0.354 nan 8.230 nan 0.000 0.422 243 L N 7.051 128.378 121.223 0.174 0.000 2.305 243 L HA 0.497 4.837 4.340 -0.001 0.000 0.284 243 L C -0.449 176.570 176.870 0.249 0.000 1.013 243 L CA -0.307 54.653 54.840 0.200 0.000 0.819 243 L CB 0.821 42.972 42.059 0.155 0.000 1.227 243 L HN 0.569 nan 8.230 nan 0.000 0.417 244 Y N 0.329 120.635 120.300 0.010 0.000 2.631 244 Y HA 1.016 5.565 4.550 -0.001 0.000 0.328 244 Y C 0.565 176.471 175.900 0.010 0.000 1.118 244 Y CA -1.345 56.755 58.100 -0.000 0.000 1.206 244 Y CB 1.981 40.432 38.460 -0.015 0.000 1.337 244 Y HN 0.728 nan 8.280 nan 0.000 0.515 245 G N 0.469 109.331 108.800 0.103 0.000 2.316 245 G HA2 0.170 4.130 3.960 -0.001 0.000 0.468 245 G HA3 0.170 4.130 3.960 -0.001 0.000 0.468 245 G C -3.424 171.496 174.900 0.034 0.000 1.523 245 G CA -1.247 43.858 45.100 0.010 0.000 0.972 245 G HN 0.556 nan 8.290 nan 0.000 0.667 246 P HA 0.209 nan 4.420 nan 0.000 0.270 246 P C -2.517 174.790 177.300 0.011 0.000 1.221 246 P CA -0.501 62.606 63.100 0.012 0.000 0.788 246 P CB -0.362 31.337 31.700 -0.002 0.000 0.904 247 P HA 0.068 nan 4.420 nan 0.000 0.269 247 P C 1.019 178.321 177.300 0.004 0.000 1.215 247 P CA 1.145 64.251 63.100 0.010 0.000 0.780 247 P CB -0.182 31.518 31.700 0.000 0.000 0.898 248 G N 1.116 109.925 108.800 0.014 0.000 2.184 248 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.264 248 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.264 248 G C 1.189 176.096 174.900 0.012 0.000 0.975 248 G CA 0.660 45.765 45.100 0.008 0.000 0.642 248 G HN 0.522 nan 8.290 nan 0.000 0.536 249 T N -0.001 114.562 114.554 0.016 0.000 3.007 249 T HA 0.335 4.685 4.350 -0.001 0.000 0.270 249 T C 2.106 176.815 174.700 0.016 0.000 1.107 249 T CA 2.444 64.551 62.100 0.012 0.000 1.118 249 T CB -0.428 68.443 68.868 0.004 0.000 0.889 249 T HN 2.107 nan 8.240 nan 0.000 0.506 250 G N 1.109 109.923 108.800 0.024 0.000 2.138 250 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.193 250 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.193 250 G C 0.810 175.708 174.900 -0.003 0.000 0.998 250 G CA 0.388 45.496 45.100 0.014 0.000 0.668 250 G HN 0.484 nan 8.290 nan 0.000 0.516 251 K N -0.297 120.122 120.400 0.032 0.000 2.057 251 K HA -0.036 4.284 4.320 -0.001 0.000 0.207 251 K C 2.377 178.913 176.600 -0.107 0.000 1.049 251 K CA 1.728 58.041 56.287 0.044 0.000 0.931 251 K CB -0.292 32.316 32.500 0.180 0.000 0.714 251 K HN 0.295 nan 8.250 nan 0.000 0.440 252 T N 2.108 116.639 114.554 -0.037 0.000 2.962 252 T HA -0.045 4.304 4.350 -0.001 0.000 0.270 252 T C 1.717 176.228 174.700 -0.315 0.000 1.088 252 T CA 0.607 62.545 62.100 -0.270 0.000 1.127 252 T CB -0.026 68.935 68.868 0.157 0.000 0.883 252 T HN 0.165 nan 8.240 nan 0.000 0.493 253 L N 0.304 121.425 121.223 -0.169 0.000 2.049 253 L HA 0.050 4.390 4.340 -0.001 0.000 0.203 253 L C 2.266 179.027 176.870 -0.181 0.000 1.074 253 L CA 1.229 55.980 54.840 -0.149 0.000 0.749 253 L CB -0.236 41.785 42.059 -0.063 0.000 0.907 253 L HN 0.225 nan 8.230 nan 0.000 0.439 254 I N 0.127 120.614 120.570 -0.138 0.000 2.099 254 I HA -0.333 3.837 4.170 -0.001 0.000 0.239 254 I C 2.817 178.849 176.117 -0.143 0.000 1.066 254 I CA 1.336 62.582 61.300 -0.090 0.000 1.324 254 I CB -0.648 37.322 38.000 -0.051 0.000 1.037 254 I HN 0.324 nan 8.210 nan 0.000 0.401 255 A N 0.631 123.289 122.820 -0.271 0.000 1.917 255 A HA -0.296 4.024 4.320 -0.001 0.000 0.219 255 A C 2.444 179.876 177.584 -0.254 0.000 1.182 255 A CA 2.215 54.104 52.037 -0.247 0.000 0.633 255 A CB -0.765 17.842 19.000 -0.656 0.000 0.819 255 A HN 0.395 nan 8.150 nan 0.000 0.448 256 R N -0.759 119.421 120.500 -0.533 0.000 2.075 256 R HA -0.022 4.317 4.340 -0.001 0.000 0.232 256 R C 2.378 178.354 176.300 -0.540 0.000 1.126 256 R CA 1.293 56.856 56.100 -0.893 0.000 0.963 256 R CB -0.386 29.440 30.300 -0.790 0.000 0.858 256 R HN 0.453 nan 8.270 nan 0.000 0.435 257 A N 0.293 122.916 122.820 -0.328 0.000 1.902 257 A HA -0.108 4.211 4.320 -0.001 0.000 0.217 257 A C 2.231 179.669 177.584 -0.244 0.000 1.181 257 A CA 1.588 53.461 52.037 -0.273 0.000 0.623 257 A CB -0.607 18.298 19.000 -0.158 0.000 0.818 257 A HN 0.219 nan 8.150 nan 0.000 0.443 258 V N -0.014 119.881 119.914 -0.033 0.000 2.392 258 V HA -0.296 3.824 4.120 -0.001 0.000 0.249 258 V C 3.018 179.121 176.094 0.015 0.000 1.059 258 V CA 2.016 64.391 62.300 0.125 0.000 1.051 258 V CB -1.362 30.549 31.823 0.146 0.000 0.658 258 V HN 0.638 nan 8.190 nan 0.000 0.455 259 A N 0.563 123.356 122.820 -0.044 0.000 1.845 259 A HA -0.225 4.095 4.320 -0.001 0.000 0.215 259 A C 2.130 179.675 177.584 -0.066 0.000 1.195 259 A CA 2.038 54.076 52.037 0.003 0.000 0.616 259 A CB -0.717 18.313 19.000 0.051 0.000 0.832 259 A HN 0.592 nan 8.150 nan 0.000 0.443 260 N N -0.290 118.305 118.700 -0.176 0.000 2.043 260 N HA -0.183 4.556 4.740 -0.001 0.000 0.193 260 N C 1.667 177.074 175.510 -0.171 0.000 1.037 260 N CA 1.744 54.690 53.050 -0.173 0.000 0.851 260 N CB -0.516 37.833 38.487 -0.231 0.000 1.027 260 N HN 0.584 nan 8.380 nan 0.000 0.422 261 E N 0.048 120.083 120.200 -0.275 0.000 2.331 261 E HA -0.084 4.265 4.350 -0.001 0.000 0.199 261 E C 0.907 177.440 176.600 -0.112 0.000 1.008 261 E CA 1.029 57.238 56.400 -0.318 0.000 0.843 261 E CB -0.055 29.136 29.700 -0.849 0.000 0.761 261 E HN 0.513 nan 8.360 nan 0.000 0.507 262 T N -4.601 109.923 114.554 -0.049 0.000 3.182 262 T HA 0.331 4.681 4.350 -0.001 0.000 0.277 262 T C 1.184 175.882 174.700 -0.003 0.000 1.013 262 T CA 0.024 62.124 62.100 0.002 0.000 0.900 262 T CB 0.449 69.340 68.868 0.038 0.000 1.098 262 T HN 0.150 nan 8.240 nan 0.000 0.543 263 G N 1.420 110.211 108.800 -0.016 0.000 2.379 263 G HA2 -0.032 3.927 3.960 -0.001 0.000 0.297 263 G HA3 -0.032 3.927 3.960 -0.001 0.000 0.297 263 G C 0.294 175.223 174.900 0.048 0.000 1.004 263 G CA 0.068 45.173 45.100 0.007 0.000 0.921 263 G HN 1.245 nan 8.290 nan 0.000 0.511 264 A N -0.607 122.254 122.820 0.067 0.000 2.303 264 A HA 0.746 5.066 4.320 -0.001 0.000 0.317 264 A C 0.062 177.767 177.584 0.202 0.000 1.149 264 A CA -0.743 51.370 52.037 0.127 0.000 0.822 264 A CB 0.841 19.911 19.000 0.116 0.000 1.131 264 A HN 1.165 nan 8.150 nan 0.000 0.493 265 F N 1.398 121.401 119.950 0.088 0.000 2.563 265 F HA 0.398 4.924 4.527 -0.001 0.000 0.363 265 F C -0.538 175.381 175.800 0.199 0.000 1.123 265 F CA -0.010 58.062 58.000 0.120 0.000 1.307 265 F CB 0.209 39.264 39.000 0.092 0.000 1.115 265 F HN 0.410 nan 8.300 nan 0.000 0.592 266 F N 8.303 127.845 119.950 -0.680 0.000 2.496 266 F HA 0.410 4.936 4.527 -0.001 0.000 0.341 266 F C -1.943 173.496 175.800 -0.601 0.000 1.134 266 F CA -0.999 56.725 58.000 -0.459 0.000 0.968 266 F CB 0.620 39.466 39.000 -0.257 0.000 1.205 266 F HN 0.336 nan 8.300 nan 0.000 0.436 267 F N 7.792 127.162 119.950 -0.968 0.000 2.444 267 F HA 0.604 5.131 4.527 -0.001 0.000 0.342 267 F C -1.612 173.762 175.800 -0.710 0.000 1.121 267 F CA -1.153 56.452 58.000 -0.658 0.000 0.997 267 F CB 1.280 40.093 39.000 -0.312 0.000 1.130 267 F HN 0.412 nan 8.300 nan 0.000 0.454 268 L N 7.046 128.028 121.223 -0.402 0.000 2.325 268 L HA 0.642 4.982 4.340 -0.001 0.000 0.279 268 L C -1.175 175.752 176.870 0.095 0.000 1.054 268 L CA -0.306 54.457 54.840 -0.128 0.000 0.804 268 L CB 1.037 43.114 42.059 0.029 0.000 1.200 268 L HN 0.539 nan 8.230 nan 0.000 0.436 269 I N 4.859 125.469 120.570 0.068 0.000 2.468 269 I HA 0.299 4.469 4.170 -0.001 0.000 0.284 269 I C -0.588 175.514 176.117 -0.025 0.000 1.038 269 I CA -0.385 60.967 61.300 0.087 0.000 1.083 269 I CB 1.481 39.532 38.000 0.086 0.000 1.223 269 I HN 0.647 nan 8.210 nan 0.000 0.443 270 N N 3.969 122.671 118.700 0.003 0.000 2.419 270 N HA 0.218 4.958 4.740 -0.001 0.000 0.264 270 N C 1.247 176.743 175.510 -0.023 0.000 1.031 270 N CA -0.032 53.004 53.050 -0.023 0.000 0.951 270 N CB 1.824 40.315 38.487 0.007 0.000 1.101 270 N HN 0.808 nan 8.380 nan 0.000 0.488 271 G N 4.430 113.200 108.800 -0.051 0.000 2.599 271 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.219 271 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.219 271 G C -0.924 173.966 174.900 -0.017 0.000 1.193 271 G CA 0.836 45.913 45.100 -0.039 0.000 0.778 271 G HN 0.575 nan 8.290 nan 0.000 0.589 272 P HA -0.055 nan 4.420 nan 0.000 0.216 272 P C 1.570 178.873 177.300 0.005 0.000 1.150 272 P CA 1.589 64.688 63.100 -0.003 0.000 0.837 272 P CB -0.017 31.682 31.700 -0.001 0.000 0.786 273 E N -0.496 119.710 120.200 0.009 0.000 2.070 273 E HA -0.200 4.149 4.350 -0.001 0.000 0.197 273 E C 1.838 178.452 176.600 0.024 0.000 1.004 273 E CA 1.393 57.804 56.400 0.019 0.000 0.805 273 E CB -0.580 29.136 29.700 0.027 0.000 0.744 273 E HN -0.009 nan 8.360 nan 0.000 0.451 274 I N 0.486 121.070 120.570 0.023 0.000 2.163 274 I HA -0.194 3.976 4.170 -0.001 0.000 0.240 274 I C 2.112 178.237 176.117 0.014 0.000 1.081 274 I CA 1.126 62.440 61.300 0.024 0.000 1.353 274 I CB -0.998 37.015 38.000 0.023 0.000 1.054 274 I HN 0.328 nan 8.210 nan 0.000 0.407 275 M N 0.707 120.311 119.600 0.006 0.000 2.629 275 M HA -0.074 4.406 4.480 -0.001 0.000 0.257 275 M C 2.221 178.526 176.300 0.009 0.000 1.071 275 M CA 0.981 56.284 55.300 0.004 0.000 1.077 275 M CB -1.668 30.931 32.600 -0.002 0.000 1.423 275 M HN 0.377 nan 8.290 nan 0.000 0.508 276 S N -0.900 114.807 115.700 0.011 0.000 2.528 276 S HA 0.071 4.541 4.470 -0.001 0.000 0.219 276 S C 0.819 175.427 174.600 0.013 0.000 0.985 276 S CA -0.130 58.078 58.200 0.012 0.000 0.914 276 S CB 0.271 63.478 63.200 0.012 0.000 0.776 276 S HN 0.403 nan 8.310 nan 0.000 0.526 277 K N 0.318 120.727 120.400 0.015 0.000 2.132 277 K HA 0.473 4.792 4.320 -0.001 0.000 0.241 277 K C -0.869 175.738 176.600 0.012 0.000 1.000 277 K CA -1.024 55.273 56.287 0.015 0.000 0.911 277 K CB 0.538 33.050 32.500 0.019 0.000 1.093 277 K HN 0.095 nan 8.250 nan 0.000 0.460 278 L N 1.844 123.074 121.223 0.011 0.000 2.397 278 L HA 0.116 4.456 4.340 -0.001 0.000 0.271 278 L C 1.262 178.136 176.870 0.006 0.000 1.148 278 L CA 0.845 55.690 54.840 0.009 0.000 0.825 278 L CB 0.680 42.744 42.059 0.008 0.000 1.117 278 L HN 0.915 nan 8.230 nan 0.000 0.456 279 A N 4.384 127.207 122.820 0.005 0.000 1.826 279 A HA -0.369 3.951 4.320 -0.001 0.000 0.267 279 A C 1.948 179.530 177.584 -0.002 0.000 2.510 279 A CA 2.932 54.969 52.037 0.001 0.000 0.865 279 A CB -1.891 17.110 19.000 0.000 0.000 0.830 279 A HN 1.049 nan 8.150 nan 0.000 0.508 280 G N -1.671 107.128 108.800 -0.002 0.000 2.433 280 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.216 280 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.216 280 G C 1.451 176.351 174.900 -0.001 0.000 1.186 280 G CA 1.229 46.327 45.100 -0.004 0.000 0.779 280 G HN 0.770 nan 8.290 nan 0.000 0.543 281 E N 0.248 120.451 120.200 0.005 0.000 2.265 281 E HA -0.117 4.233 4.350 -0.001 0.000 0.196 281 E C 2.482 179.090 176.600 0.013 0.000 0.996 281 E CA 0.979 57.385 56.400 0.011 0.000 0.832 281 E CB -0.129 29.580 29.700 0.015 0.000 0.756 281 E HN 0.408 nan 8.360 nan 0.000 0.491 282 S N 0.511 116.216 115.700 0.009 0.000 2.338 282 S HA -0.180 4.289 4.470 -0.001 0.000 0.218 282 S C 1.723 176.325 174.600 0.003 0.000 1.032 282 S CA 1.486 59.692 58.200 0.009 0.000 0.999 282 S CB -0.162 63.040 63.200 0.003 0.000 0.905 282 S HN 0.333 nan 8.310 nan 0.000 0.439 283 E N 0.569 120.763 120.200 -0.010 0.000 2.204 283 E HA -0.061 4.289 4.350 -0.001 0.000 0.194 283 E C 2.219 178.803 176.600 -0.027 0.000 0.989 283 E CA 0.882 57.266 56.400 -0.028 0.000 0.824 283 E CB -0.219 29.459 29.700 -0.038 0.000 0.756 283 E HN 0.557 nan 8.360 nan 0.000 0.477 284 S N 1.230 116.924 115.700 -0.011 0.000 2.356 284 S HA -0.203 4.267 4.470 -0.001 0.000 0.223 284 S C 1.682 176.286 174.600 0.007 0.000 1.032 284 S CA 1.606 59.803 58.200 -0.004 0.000 1.005 284 S CB -0.303 62.901 63.200 0.006 0.000 0.867 284 S HN 0.286 nan 8.310 nan 0.000 0.449 285 N N 0.514 119.228 118.700 0.024 0.000 2.223 285 N HA 0.003 4.743 4.740 -0.001 0.000 0.185 285 N C 1.812 177.349 175.510 0.046 0.000 1.016 285 N CA 1.242 54.322 53.050 0.050 0.000 0.863 285 N CB -0.215 38.313 38.487 0.068 0.000 0.983 285 N HN 0.376 nan 8.380 nan 0.000 0.429 286 L N 0.933 122.171 121.223 0.024 0.000 2.027 286 L HA -0.132 4.207 4.340 -0.001 0.000 0.206 286 L C 2.480 179.356 176.870 0.010 0.000 1.074 286 L CA 1.166 56.024 54.840 0.030 0.000 0.745 286 L CB -0.294 41.734 42.059 -0.052 0.000 0.898 286 L HN 0.150 nan 8.230 nan 0.000 0.433 287 R N 0.122 120.590 120.500 -0.054 0.000 2.070 287 R HA -0.219 4.120 4.340 -0.001 0.000 0.233 287 R C 2.300 178.604 176.300 0.008 0.000 1.137 287 R CA 1.590 57.655 56.100 -0.058 0.000 0.945 287 R CB -0.347 29.917 30.300 -0.061 0.000 0.845 287 R HN 0.096 nan 8.270 nan 0.000 0.430 288 K N 1.301 121.703 120.400 0.003 0.000 2.034 288 K HA -0.195 4.125 4.320 -0.001 0.000 0.214 288 K C 1.911 178.463 176.600 -0.080 0.000 1.051 288 K CA 2.104 58.391 56.287 -0.001 0.000 0.931 288 K CB -0.635 31.886 32.500 0.035 0.000 0.715 288 K HN 0.169 nan 8.250 nan 0.000 0.446 289 A N -0.175 122.546 122.820 -0.165 0.000 1.873 289 A HA -0.133 4.186 4.320 -0.001 0.000 0.218 289 A C 2.226 179.534 177.584 -0.460 0.000 1.193 289 A CA 1.921 53.566 52.037 -0.654 0.000 0.629 289 A CB -1.054 17.636 19.000 -0.518 0.000 0.826 289 A HN 0.392 nan 8.150 nan 0.000 0.447 290 F N -0.068 119.694 119.950 -0.313 0.000 2.134 290 F HA -0.116 4.411 4.527 -0.001 0.000 0.299 290 F C 2.408 178.117 175.800 -0.152 0.000 1.097 290 F CA 1.557 59.437 58.000 -0.200 0.000 1.264 290 F CB -0.470 38.451 39.000 -0.131 0.000 1.001 290 F HN 0.434 nan 8.300 nan 0.000 0.479 291 E N 0.362 120.600 120.200 0.063 0.000 2.051 291 E HA -0.268 4.082 4.350 -0.001 0.000 0.192 291 E C 2.210 178.797 176.600 -0.023 0.000 0.991 291 E CA 1.478 57.887 56.400 0.016 0.000 0.799 291 E CB -0.205 29.501 29.700 0.010 0.000 0.748 291 E HN 0.540 nan 8.360 nan 0.000 0.449 292 E N -0.040 120.130 120.200 -0.050 0.000 2.031 292 E HA -0.211 4.139 4.350 -0.001 0.000 0.193 292 E C 2.006 178.592 176.600 -0.024 0.000 0.994 292 E CA 1.141 57.534 56.400 -0.011 0.000 0.800 292 E CB -0.213 29.546 29.700 0.099 0.000 0.752 292 E HN 0.331 nan 8.360 nan 0.000 0.447 293 A N 0.954 123.769 122.820 -0.008 0.000 1.986 293 A HA -0.266 4.054 4.320 -0.001 0.000 0.220 293 A C 1.859 179.447 177.584 0.007 0.000 1.171 293 A CA 1.871 53.968 52.037 0.100 0.000 0.640 293 A CB -0.583 18.406 19.000 -0.017 0.000 0.811 293 A HN 0.371 nan 8.150 nan 0.000 0.451 294 E N -0.494 119.690 120.200 -0.027 0.000 2.208 294 E HA -0.141 4.209 4.350 -0.001 0.000 0.193 294 E C 1.960 178.544 176.600 -0.027 0.000 0.988 294 E CA 1.002 57.394 56.400 -0.013 0.000 0.828 294 E CB -0.058 29.641 29.700 -0.001 0.000 0.763 294 E HN 0.628 nan 8.360 nan 0.000 0.478 295 K N 0.747 121.108 120.400 -0.065 0.000 1.984 295 K HA -0.008 4.311 4.320 -0.001 0.000 0.209 295 K C 1.254 177.777 176.600 -0.129 0.000 1.046 295 K CA 0.837 57.073 56.287 -0.085 0.000 0.934 295 K CB 0.000 32.439 32.500 -0.101 0.000 0.717 295 K HN 0.051 nan 8.250 nan 0.000 0.438 296 N N 1.560 120.098 118.700 -0.270 0.000 2.441 296 N HA 0.060 4.800 4.740 -0.001 0.000 0.225 296 N C -0.466 174.968 175.510 -0.128 0.000 1.208 296 N CA -0.139 52.699 53.050 -0.353 0.000 0.847 296 N CB 0.286 38.164 38.487 -1.016 0.000 1.121 296 N HN 0.146 nan 8.380 nan 0.000 0.479 297 A N 2.428 125.235 122.820 -0.021 0.000 2.483 297 A HA 0.215 4.535 4.320 -0.001 0.000 0.238 297 A C -1.652 175.966 177.584 0.058 0.000 1.070 297 A CA -0.818 51.266 52.037 0.078 0.000 0.770 297 A CB -0.088 18.997 19.000 0.143 0.000 1.008 297 A HN 0.121 nan 8.150 nan 0.000 0.497 298 P HA 0.484 nan 4.420 nan 0.000 0.275 298 P C -0.574 176.821 177.300 0.159 0.000 1.228 298 P CA 0.145 63.312 63.100 0.113 0.000 0.786 298 P CB 1.352 33.086 31.700 0.055 0.000 0.927 299 A N 2.778 125.699 122.820 0.168 0.000 2.594 299 A HA 0.757 5.077 4.320 -0.001 0.000 0.291 299 A C -1.086 176.572 177.584 0.124 0.000 1.105 299 A CA -0.781 51.394 52.037 0.230 0.000 0.694 299 A CB 1.296 20.527 19.000 0.384 0.000 1.291 299 A HN 0.461 nan 8.150 nan 0.000 0.410 300 I N 1.221 121.852 120.570 0.102 0.000 2.436 300 I HA 0.392 4.561 4.170 -0.001 0.000 0.289 300 I C -1.003 175.042 176.117 -0.121 0.000 1.010 300 I CA -0.313 61.014 61.300 0.045 0.000 1.098 300 I CB 1.752 39.856 38.000 0.175 0.000 1.266 300 I HN 0.468 nan 8.210 nan 0.000 0.434 301 I N 6.119 126.607 120.570 -0.136 0.000 2.330 301 I HA 0.243 4.413 4.170 -0.001 0.000 0.289 301 I C -0.852 175.217 176.117 -0.080 0.000 1.001 301 I CA -0.513 60.652 61.300 -0.224 0.000 1.193 301 I CB 1.313 39.072 38.000 -0.401 0.000 1.345 301 I HN 0.399 nan 8.210 nan 0.000 0.461 302 F N 8.494 128.246 119.950 -0.330 0.000 2.332 302 F HA 0.509 5.036 4.527 -0.001 0.000 0.368 302 F C -0.150 175.622 175.800 -0.047 0.000 1.110 302 F CA -0.979 56.944 58.000 -0.129 0.000 1.087 302 F CB 0.559 39.535 39.000 -0.041 0.000 1.235 302 F HN 0.234 nan 8.300 nan 0.000 0.470 303 I N 5.537 125.829 120.570 -0.464 0.000 2.278 303 I HA 0.092 4.262 4.170 -0.001 0.000 0.296 303 I C -0.227 175.402 176.117 -0.814 0.000 1.121 303 I CA -0.274 60.762 61.300 -0.440 0.000 1.267 303 I CB 0.096 37.986 38.000 -0.183 0.000 1.447 303 I HN 0.457 nan 8.210 nan 0.000 0.509 304 D N 6.708 126.618 120.400 -0.816 0.000 2.264 304 D HA 0.111 4.751 4.640 -0.001 0.000 0.250 304 D C -0.025 176.112 176.300 -0.271 0.000 1.113 304 D CA 0.196 53.810 54.000 -0.643 0.000 0.871 304 D CB 0.620 41.254 40.800 -0.277 0.000 1.167 304 D HN 0.506 nan 8.370 nan 0.000 0.447 305 E N 1.652 121.743 120.200 -0.182 0.000 2.260 305 E HA -0.225 4.125 4.350 -0.001 0.000 0.204 305 E C 0.482 177.009 176.600 -0.121 0.000 1.319 305 E CA -0.157 56.180 56.400 -0.104 0.000 0.679 305 E CB -0.878 28.785 29.700 -0.061 0.000 1.158 305 E HN 0.448 nan 8.360 nan 0.000 0.376 306 L N 1.576 122.708 121.223 -0.153 0.000 2.027 306 L HA -0.153 4.186 4.340 -0.001 0.000 0.206 306 L C 1.940 178.743 176.870 -0.110 0.000 1.074 306 L CA 2.784 57.532 54.840 -0.153 0.000 0.745 306 L CB -0.249 41.675 42.059 -0.224 0.000 0.898 306 L HN 0.419 nan 8.230 nan 0.000 0.433 307 D N -0.156 120.186 120.400 -0.098 0.000 2.357 307 D HA -0.192 4.447 4.640 -0.001 0.000 0.216 307 D C 1.726 177.987 176.300 -0.065 0.000 0.973 307 D CA 1.113 55.066 54.000 -0.078 0.000 0.912 307 D CB -0.429 40.333 40.800 -0.063 0.000 0.900 307 D HN 0.420 nan 8.370 nan 0.000 0.501 308 A N -0.403 122.381 122.820 -0.061 0.000 2.238 308 A HA 0.264 4.584 4.320 -0.001 0.000 0.208 308 A C 1.871 179.426 177.584 -0.048 0.000 1.177 308 A CA 0.338 52.346 52.037 -0.049 0.000 0.804 308 A CB -0.306 18.670 19.000 -0.041 0.000 0.823 308 A HN 0.406 nan 8.150 nan 0.000 0.482 309 I N -2.978 117.560 120.570 -0.054 0.000 4.864 309 I HA 0.206 4.375 4.170 -0.001 0.000 0.337 309 I C 0.859 176.946 176.117 -0.049 0.000 1.283 309 I CA 0.581 61.854 61.300 -0.045 0.000 1.350 309 I CB 0.922 38.903 38.000 -0.031 0.000 1.412 309 I HN 0.155 nan 8.210 nan 0.000 0.487 310 A N 3.007 125.793 122.820 -0.057 0.000 3.355 310 A HA 0.497 4.817 4.320 -0.001 0.000 0.290 310 A C -2.687 174.859 177.584 -0.064 0.000 0.973 310 A CA -1.002 51.003 52.037 -0.054 0.000 0.933 310 A CB -0.223 18.754 19.000 -0.038 0.000 1.138 310 A HN -0.098 nan 8.150 nan 0.000 0.490 311 P HA 0.241 nan 4.420 nan 0.000 0.279 311 P C -0.199 177.063 177.300 -0.064 0.000 1.276 311 P CA -0.327 62.730 63.100 -0.070 0.000 0.801 311 P CB 1.054 32.707 31.700 -0.079 0.000 1.127 312 K N 0.121 120.487 120.400 -0.056 0.000 2.187 312 K HA 0.065 4.385 4.320 -0.001 0.000 0.247 312 K C 1.822 178.394 176.600 -0.047 0.000 1.019 312 K CA -0.388 55.871 56.287 -0.047 0.000 0.893 312 K CB 0.351 32.828 32.500 -0.040 0.000 1.025 312 K HN 0.253 nan 8.250 nan 0.000 0.500 313 R N 1.430 121.908 120.500 -0.037 0.000 2.237 313 R HA -0.127 4.212 4.340 -0.001 0.000 0.219 313 R C 1.631 177.916 176.300 -0.024 0.000 1.080 313 R CA 0.982 57.063 56.100 -0.032 0.000 0.995 313 R CB -0.385 29.902 30.300 -0.021 0.000 0.875 313 R HN 0.652 nan 8.270 nan 0.000 0.462 314 E N 1.632 121.819 120.200 -0.022 0.000 2.118 314 E HA -0.155 4.195 4.350 -0.001 0.000 0.195 314 E C 0.761 177.357 176.600 -0.007 0.000 0.992 314 E CA 2.014 58.407 56.400 -0.012 0.000 0.804 314 E CB 0.071 29.762 29.700 -0.014 0.000 0.741 314 E HN 0.283 nan 8.360 nan 0.000 0.458 315 K N 0.001 120.386 120.400 -0.026 0.000 3.202 315 K HA 0.291 4.611 4.320 -0.001 0.000 0.206 315 K C -0.270 176.259 176.600 -0.119 0.000 1.142 315 K CA 0.191 56.461 56.287 -0.028 0.000 0.979 315 K CB 0.439 32.923 32.500 -0.025 0.000 0.863 315 K HN 0.050 nan 8.250 nan 0.000 0.479 316 T N 1.335 115.818 114.554 -0.119 0.000 2.879 316 T HA 0.387 4.737 4.350 -0.001 0.000 0.290 316 T C -1.168 173.441 174.700 -0.151 0.000 0.993 316 T CA -0.542 61.411 62.100 -0.244 0.000 0.975 316 T CB 0.268 69.050 68.868 -0.142 0.000 0.981 316 T HN 0.531 nan 8.240 nan 0.000 0.439 317 H N 3.660 122.724 119.070 -0.010 0.000 2.685 317 H HA 0.392 4.948 4.556 -0.000 0.000 0.286 317 H C 1.429 176.751 175.328 -0.009 0.000 1.102 317 H CA -0.391 55.652 56.048 -0.009 0.000 1.254 317 H CB 0.234 29.991 29.762 -0.008 0.000 1.397 317 H HN 0.938 nan 8.280 nan 0.000 0.473 318 G N 2.734 111.572 108.800 0.064 0.000 2.901 318 G HA2 -0.291 3.669 3.960 -0.001 0.000 1.000 318 G HA3 -0.291 3.669 3.960 -0.001 0.000 1.000 318 G C 0.748 175.660 174.900 0.021 0.000 1.121 318 G CA 2.892 48.010 45.100 0.030 0.000 0.808 318 G HN 1.156 nan 8.290 nan 0.000 0.911 319 E N -3.882 116.329 120.200 0.018 0.000 3.521 319 E HA -0.316 4.033 4.350 -0.001 0.000 0.371 319 E C 1.963 178.564 176.600 0.002 0.000 1.564 319 E CA 3.461 59.868 56.400 0.011 0.000 1.834 319 E CB -1.491 28.221 29.700 0.020 0.000 1.742 319 E HN 1.737 nan 8.360 nan 0.000 0.445 320 V N 1.740 121.655 119.914 0.003 0.000 3.078 320 V HA -0.057 4.062 4.120 -0.001 0.000 0.265 320 V C 2.443 178.528 176.094 -0.014 0.000 1.122 320 V CA 2.451 64.748 62.300 -0.006 0.000 1.141 320 V CB -0.554 31.268 31.823 -0.002 0.000 0.735 320 V HN 0.673 nan 8.190 nan 0.000 0.498 321 E N 0.431 120.622 120.200 -0.014 0.000 2.072 321 E HA -0.183 4.166 4.350 -0.001 0.000 0.191 321 E C 2.434 179.005 176.600 -0.048 0.000 0.985 321 E CA 1.097 57.472 56.400 -0.042 0.000 0.801 321 E CB 0.012 29.668 29.700 -0.073 0.000 0.750 321 E HN 0.478 nan 8.360 nan 0.000 0.452 322 R N -0.405 120.073 120.500 -0.036 0.000 2.200 322 R HA 0.071 4.410 4.340 -0.001 0.000 0.208 322 R C 2.365 178.647 176.300 -0.030 0.000 1.033 322 R CA 0.371 56.450 56.100 -0.035 0.000 1.000 322 R CB 0.060 30.345 30.300 -0.026 0.000 0.906 322 R HN 0.031 nan 8.270 nan 0.000 0.462 323 R N 0.689 121.173 120.500 -0.026 0.000 2.073 323 R HA -0.003 4.337 4.340 -0.001 0.000 0.229 323 R C 2.057 178.336 176.300 -0.035 0.000 1.120 323 R CA 1.154 57.237 56.100 -0.027 0.000 0.967 323 R CB -0.066 30.221 30.300 -0.021 0.000 0.862 323 R HN 0.111 nan 8.270 nan 0.000 0.436 324 I N 0.068 120.618 120.570 -0.033 0.000 2.226 324 I HA -0.272 3.898 4.170 -0.001 0.000 0.245 324 I C 2.105 178.198 176.117 -0.040 0.000 1.100 324 I CA 1.014 62.292 61.300 -0.036 0.000 1.374 324 I CB -0.200 37.783 38.000 -0.028 0.000 1.057 324 I HN 0.020 nan 8.210 nan 0.000 0.413 325 V N 0.152 120.044 119.914 -0.036 0.000 2.233 325 V HA -0.306 3.813 4.120 -0.001 0.000 0.247 325 V C 2.545 178.619 176.094 -0.034 0.000 1.050 325 V CA 2.325 64.606 62.300 -0.031 0.000 1.010 325 V CB -0.860 30.944 31.823 -0.032 0.000 0.637 325 V HN 0.371 nan 8.190 nan 0.000 0.444 326 S N -0.516 115.162 115.700 -0.037 0.000 2.370 326 S HA -0.336 4.134 4.470 -0.001 0.000 0.226 326 S C 2.044 176.606 174.600 -0.063 0.000 1.033 326 S CA 2.008 60.183 58.200 -0.042 0.000 1.011 326 S CB -0.457 62.721 63.200 -0.037 0.000 0.852 326 S HN 0.659 nan 8.310 nan 0.000 0.457 327 Q N 1.157 120.915 119.800 -0.071 0.000 2.112 327 Q HA -0.152 4.188 4.340 -0.001 0.000 0.206 327 Q C 1.968 177.876 176.000 -0.155 0.000 0.987 327 Q CA 1.493 57.234 55.803 -0.104 0.000 0.858 327 Q CB -0.693 27.990 28.738 -0.092 0.000 0.905 327 Q HN 0.452 nan 8.270 nan 0.000 0.420 328 L N -0.424 120.728 121.223 -0.117 0.000 2.005 328 L HA -0.077 4.262 4.340 -0.001 0.000 0.207 328 L C 2.134 178.934 176.870 -0.116 0.000 1.072 328 L CA 1.697 56.462 54.840 -0.124 0.000 0.744 328 L CB -0.884 41.172 42.059 -0.004 0.000 0.895 328 L HN 0.424 nan 8.230 nan 0.000 0.433 329 L N -0.884 120.306 121.223 -0.056 0.000 1.997 329 L HA -0.332 4.008 4.340 -0.001 0.000 0.216 329 L C 2.380 179.195 176.870 -0.091 0.000 1.074 329 L CA 2.221 57.033 54.840 -0.047 0.000 0.763 329 L CB -1.283 40.759 42.059 -0.028 0.000 0.890 329 L HN 0.334 nan 8.230 nan 0.000 0.434 330 T N 0.167 114.657 114.554 -0.107 0.000 2.684 330 T HA -0.222 4.128 4.350 -0.001 0.000 0.267 330 T C 1.957 176.556 174.700 -0.169 0.000 1.036 330 T CA 1.399 63.428 62.100 -0.117 0.000 1.148 330 T CB -0.369 68.432 68.868 -0.112 0.000 0.863 330 T HN 0.193 nan 8.240 nan 0.000 0.436 331 L N 0.128 121.178 121.223 -0.288 0.000 2.043 331 L HA -0.156 4.184 4.340 -0.001 0.000 0.212 331 L C 2.792 179.498 176.870 -0.272 0.000 1.075 331 L CA 1.062 55.619 54.840 -0.472 0.000 0.752 331 L CB -0.510 40.884 42.059 -1.108 0.000 0.891 331 L HN 0.287 nan 8.230 nan 0.000 0.432 332 M N -0.683 118.814 119.600 -0.170 0.000 2.059 332 M HA -0.212 4.268 4.480 -0.001 0.000 0.259 332 M C 1.995 178.256 176.300 -0.065 0.000 1.072 332 M CA 1.742 57.006 55.300 -0.060 0.000 1.117 332 M CB -1.226 31.282 32.600 -0.154 0.000 1.320 332 M HN 0.233 nan 8.290 nan 0.000 0.408 333 D N 0.135 120.489 120.400 -0.077 0.000 2.190 333 D HA -0.117 4.523 4.640 -0.001 0.000 0.200 333 D C 1.860 178.134 176.300 -0.044 0.000 0.992 333 D CA 1.593 55.560 54.000 -0.053 0.000 0.854 333 D CB -0.511 40.262 40.800 -0.046 0.000 0.936 333 D HN 0.504 nan 8.370 nan 0.000 0.462 334 G N 0.132 108.898 108.800 -0.055 0.000 2.679 334 G HA2 -0.009 3.950 3.960 -0.001 0.000 0.212 334 G HA3 -0.009 3.950 3.960 -0.001 0.000 0.212 334 G C 0.770 175.660 174.900 -0.018 0.000 1.137 334 G CA -0.219 44.855 45.100 -0.043 0.000 0.787 334 G HN 0.198 nan 8.290 nan 0.000 0.534 335 L N 1.597 122.818 121.223 -0.003 0.000 2.361 335 L HA 0.241 4.580 4.340 -0.001 0.000 0.278 335 L C -0.119 176.738 176.870 -0.021 0.000 1.113 335 L CA -0.582 54.263 54.840 0.009 0.000 0.849 335 L CB 0.999 43.075 42.059 0.027 0.000 1.155 335 L HN -0.092 nan 8.230 nan 0.000 0.452 336 K N 3.961 124.343 120.400 -0.030 0.000 2.258 336 K HA 0.072 4.391 4.320 -0.001 0.000 0.284 336 K C 0.892 177.450 176.600 -0.071 0.000 1.051 336 K CA -0.214 56.048 56.287 -0.042 0.000 0.923 336 K CB 1.437 33.913 32.500 -0.040 0.000 1.046 336 K HN 0.578 nan 8.250 nan 0.000 0.474 337 Q N 2.057 121.821 119.800 -0.060 0.000 2.325 337 Q HA -0.226 4.113 4.340 -0.001 0.000 0.211 337 Q C 0.311 176.220 176.000 -0.151 0.000 0.988 337 Q CA 1.640 57.395 55.803 -0.080 0.000 0.887 337 Q CB -0.168 28.557 28.738 -0.021 0.000 0.915 337 Q HN 0.308 nan 8.270 nan 0.000 0.440 338 R N 0.439 120.836 120.500 -0.172 0.000 2.310 338 R HA 0.254 4.594 4.340 -0.001 0.000 0.202 338 R C 1.765 177.699 176.300 -0.610 0.000 0.933 338 R CA 0.815 56.713 56.100 -0.338 0.000 1.054 338 R CB -0.390 29.826 30.300 -0.141 0.000 0.985 338 R HN 0.373 nan 8.270 nan 0.000 0.489 339 A N 0.628 123.235 122.820 -0.354 0.000 2.167 339 A HA -0.045 4.274 4.320 -0.001 0.000 0.214 339 A C -0.223 177.266 177.584 -0.159 0.000 1.151 339 A CA 0.217 52.127 52.037 -0.212 0.000 0.735 339 A CB -0.507 18.440 19.000 -0.088 0.000 0.802 339 A HN 0.483 nan 8.150 nan 0.000 0.467 340 H N -1.856 117.207 119.070 -0.012 0.000 2.756 340 H HA -0.126 4.430 4.556 -0.001 0.000 0.315 340 H C -0.721 174.593 175.328 -0.023 0.000 1.210 340 H CA 0.812 56.847 56.048 -0.023 0.000 1.150 340 H CB -2.467 27.302 29.762 0.012 0.000 1.463 340 H HN 0.257 nan 8.280 nan 0.000 0.427 341 V N 1.507 121.428 119.914 0.011 0.000 2.656 341 V HA 0.523 4.643 4.120 -0.001 0.000 0.307 341 V C 0.729 176.799 176.094 -0.039 0.000 1.051 341 V CA -0.653 61.642 62.300 -0.008 0.000 0.893 341 V CB 3.050 34.845 31.823 -0.047 0.000 0.999 341 V HN 0.211 nan 8.190 nan 0.000 0.426 342 I N 3.998 124.554 120.570 -0.024 0.000 2.509 342 I HA 0.527 4.697 4.170 -0.001 0.000 0.293 342 I C -0.783 175.330 176.117 -0.007 0.000 1.020 342 I CA -0.917 60.373 61.300 -0.016 0.000 1.088 342 I CB 2.318 40.328 38.000 0.017 0.000 1.267 342 I HN 0.265 nan 8.210 nan 0.000 0.430 343 V N 6.826 126.744 119.914 0.006 0.000 2.435 343 V HA 0.463 4.583 4.120 -0.001 0.000 0.290 343 V C -0.029 176.232 176.094 0.277 0.000 1.030 343 V CA -0.423 61.922 62.300 0.074 0.000 0.881 343 V CB 1.656 33.492 31.823 0.022 0.000 0.983 343 V HN 0.639 nan 8.190 nan 0.000 0.445 344 M N 4.289 124.060 119.600 0.285 0.000 2.243 344 M HA 0.771 5.250 4.480 -0.001 0.000 0.324 344 M C -0.426 176.036 176.300 0.269 0.000 1.031 344 M CA -0.355 55.154 55.300 0.347 0.000 0.949 344 M CB 2.095 34.933 32.600 0.398 0.000 1.615 344 M HN 0.724 nan 8.290 nan 0.000 0.430 345 A N 2.504 125.379 122.820 0.092 0.000 2.393 345 A HA 0.952 5.271 4.320 -0.001 0.000 0.306 345 A C -1.254 176.278 177.584 -0.087 0.000 1.050 345 A CA -0.673 51.253 52.037 -0.185 0.000 0.724 345 A CB 1.446 20.129 19.000 -0.528 0.000 1.248 345 A HN 0.848 nan 8.150 nan 0.000 0.424 346 A N 1.405 124.170 122.820 -0.091 0.000 2.318 346 A HA 0.828 5.148 4.320 -0.001 0.000 0.317 346 A C 0.022 177.587 177.584 -0.032 0.000 1.159 346 A CA -0.017 52.049 52.037 0.048 0.000 0.799 346 A CB 1.217 20.359 19.000 0.238 0.000 1.194 346 A HN 1.245 nan 8.150 nan 0.000 0.479 347 T N 0.096 114.653 114.554 0.005 0.000 2.676 347 T HA 0.381 4.731 4.350 -0.001 0.000 0.269 347 T C 0.737 175.466 174.700 0.049 0.000 0.952 347 T CA -0.232 61.860 62.100 -0.013 0.000 1.040 347 T CB 0.957 69.788 68.868 -0.062 0.000 1.352 347 T HN 0.646 nan 8.240 nan 0.000 0.554 348 N N -0.536 118.184 118.700 0.035 0.000 2.414 348 N HA 0.237 4.977 4.740 -0.001 0.000 0.177 348 N C -0.108 175.463 175.510 0.101 0.000 1.062 348 N CA -0.031 53.056 53.050 0.062 0.000 0.890 348 N CB 0.584 39.088 38.487 0.028 0.000 1.070 348 N HN 0.436 nan 8.380 nan 0.000 0.454 349 R N -0.954 119.576 120.500 0.050 0.000 2.753 349 R HA 0.206 4.545 4.340 -0.001 0.000 0.272 349 R C -2.820 173.414 176.300 -0.109 0.000 1.034 349 R CA -1.291 54.819 56.100 0.017 0.000 0.869 349 R CB 0.587 30.909 30.300 0.035 0.000 1.264 349 R HN -0.286 nan 8.270 nan 0.000 0.481 350 P HA -0.252 nan 4.420 nan 0.000 0.217 350 P C 0.363 177.587 177.300 -0.126 0.000 1.158 350 P CA 1.907 64.876 63.100 -0.218 0.000 0.887 350 P CB -0.081 31.487 31.700 -0.220 0.000 0.792 351 N N -0.824 117.825 118.700 -0.086 0.000 2.091 351 N HA -0.174 4.566 4.740 -0.001 0.000 0.193 351 N C 1.731 177.206 175.510 -0.058 0.000 1.021 351 N CA 1.517 54.531 53.050 -0.059 0.000 0.862 351 N CB -0.591 37.873 38.487 -0.038 0.000 1.018 351 N HN 0.168 nan 8.380 nan 0.000 0.429 352 S N 1.072 116.737 115.700 -0.058 0.000 2.351 352 S HA -0.087 4.383 4.470 -0.001 0.000 0.220 352 S C 1.112 175.671 174.600 -0.069 0.000 1.035 352 S CA 0.677 58.843 58.200 -0.056 0.000 1.031 352 S CB -0.240 62.929 63.200 -0.052 0.000 0.928 352 S HN 0.174 nan 8.310 nan 0.000 0.433 353 I N 2.739 123.257 120.570 -0.087 0.000 2.892 353 I HA 0.097 4.267 4.170 -0.001 0.000 0.287 353 I C 0.460 176.532 176.117 -0.074 0.000 1.205 353 I CA -0.815 60.429 61.300 -0.093 0.000 1.409 353 I CB -0.256 37.667 38.000 -0.127 0.000 1.367 353 I HN 0.201 nan 8.210 nan 0.000 0.597 354 D N 5.994 126.358 120.400 -0.060 0.000 2.312 354 D HA 0.192 4.832 4.640 -0.001 0.000 0.252 354 D C -1.802 174.475 176.300 -0.038 0.000 1.150 354 D CA -1.581 52.392 54.000 -0.044 0.000 0.870 354 D CB 1.341 42.120 40.800 -0.034 0.000 1.153 354 D HN 0.159 nan 8.370 nan 0.000 0.457 355 P HA -0.193 nan 4.420 nan 0.000 0.217 355 P C 0.833 178.114 177.300 -0.031 0.000 1.148 355 P CA 1.604 64.678 63.100 -0.042 0.000 0.834 355 P CB 0.093 31.770 31.700 -0.037 0.000 0.783 356 A N -1.090 121.721 122.820 -0.014 0.000 2.070 356 A HA -0.133 4.186 4.320 -0.001 0.000 0.220 356 A C 2.049 179.645 177.584 0.020 0.000 1.159 356 A CA 1.099 53.135 52.037 -0.002 0.000 0.656 356 A CB -1.469 17.532 19.000 0.001 0.000 0.800 356 A HN 0.179 nan 8.150 nan 0.000 0.453 357 L N -0.931 120.321 121.223 0.048 0.000 2.291 357 L HA -0.095 4.244 4.340 -0.001 0.000 0.214 357 L C 2.444 179.406 176.870 0.152 0.000 1.120 357 L CA 0.475 55.412 54.840 0.162 0.000 0.799 357 L CB -0.291 41.884 42.059 0.194 0.000 0.925 357 L HN 0.294 nan 8.230 nan 0.000 0.446 358 R N 0.015 120.526 120.500 0.019 0.000 2.193 358 R HA 0.006 4.346 4.340 -0.001 0.000 0.213 358 R C 0.861 177.054 176.300 -0.178 0.000 1.055 358 R CA -0.030 56.031 56.100 -0.065 0.000 0.995 358 R CB -0.556 29.664 30.300 -0.133 0.000 0.893 358 R HN 0.278 nan 8.270 nan 0.000 0.459 359 R N 1.359 121.779 120.500 -0.134 0.000 2.478 359 R HA -0.163 4.176 4.340 -0.001 0.000 0.281 359 R C 0.544 176.767 176.300 -0.128 0.000 0.939 359 R CA 0.024 56.041 56.100 -0.138 0.000 1.120 359 R CB 0.122 30.429 30.300 0.013 0.000 0.885 359 R HN -0.004 nan 8.270 nan 0.000 0.415 360 F N 2.663 122.619 119.950 0.009 0.000 2.079 360 F HA -0.289 4.237 4.527 -0.001 0.000 0.296 360 F C 2.299 178.093 175.800 -0.009 0.000 1.084 360 F CA 1.981 59.984 58.000 0.006 0.000 1.236 360 F CB -0.626 38.377 39.000 0.006 0.000 0.984 360 F HN 0.776 nan 8.300 nan 0.000 0.488 361 G N -1.177 107.713 108.800 0.150 0.000 2.848 361 G HA2 0.086 4.045 3.960 -0.001 0.000 0.208 361 G HA3 0.086 4.045 3.960 -0.001 0.000 0.208 361 G C 1.249 176.125 174.900 -0.040 0.000 1.152 361 G CA 0.103 45.234 45.100 0.052 0.000 0.789 361 G HN 0.250 nan 8.290 nan 0.000 0.531 362 R N -0.891 119.566 120.500 -0.071 0.000 1.996 362 R HA 0.429 4.768 4.340 -0.001 0.000 0.120 362 R C -0.366 175.771 176.300 -0.271 0.000 1.829 362 R CA -0.632 55.340 56.100 -0.213 0.000 1.637 362 R CB -0.160 30.054 30.300 -0.143 0.000 1.313 362 R HN 0.087 nan 8.270 nan 0.000 0.487 363 F N 2.808 122.750 119.950 -0.013 0.000 2.626 363 F HA 0.101 4.627 4.527 -0.001 0.000 0.353 363 F C 0.258 176.033 175.800 -0.042 0.000 1.230 363 F CA -0.475 57.518 58.000 -0.011 0.000 1.298 363 F CB 0.010 39.003 39.000 -0.012 0.000 1.670 363 F HN 0.385 nan 8.300 nan 0.000 0.633 364 D N -1.010 119.431 120.400 0.069 0.000 2.355 364 D HA -0.024 4.615 4.640 -0.001 0.000 0.218 364 D C 0.665 176.997 176.300 0.053 0.000 1.004 364 D CA 0.318 54.327 54.000 0.014 0.000 0.880 364 D CB 0.034 40.850 40.800 0.027 0.000 0.911 364 D HN 0.031 nan 8.370 nan 0.000 0.528 365 R N 0.669 121.230 120.500 0.102 0.000 2.393 365 R HA 0.465 4.804 4.340 -0.001 0.000 0.315 365 R C -0.706 175.677 176.300 0.138 0.000 0.952 365 R CA -0.512 55.653 56.100 0.109 0.000 0.842 365 R CB 1.069 31.432 30.300 0.105 0.000 1.163 365 R HN 0.093 nan 8.270 nan 0.000 0.450 366 E N 1.708 121.990 120.200 0.137 0.000 2.187 366 E HA 0.470 4.820 4.350 -0.001 0.000 0.268 366 E C -0.881 175.875 176.600 0.261 0.000 0.896 366 E CA -1.005 55.524 56.400 0.215 0.000 0.766 366 E CB 2.746 32.548 29.700 0.170 0.000 1.142 366 E HN 0.085 nan 8.360 nan 0.000 0.408 367 V N 2.470 122.537 119.914 0.254 0.000 2.448 367 V HA 0.142 4.261 4.120 -0.001 0.000 0.295 367 V C -0.490 175.488 176.094 -0.194 0.000 1.025 367 V CA -0.774 61.570 62.300 0.073 0.000 0.859 367 V CB 1.801 33.647 31.823 0.038 0.000 0.988 367 V HN 0.679 nan 8.190 nan 0.000 0.431 368 D N 5.051 125.224 120.400 -0.378 0.000 2.380 368 D HA 0.314 4.954 4.640 -0.001 0.000 0.230 368 D C -0.069 175.975 176.300 -0.427 0.000 1.154 368 D CA -0.137 53.361 54.000 -0.837 0.000 0.859 368 D CB 0.941 41.419 40.800 -0.537 0.000 1.045 368 D HN 0.457 nan 8.370 nan 0.000 0.495 369 I N 4.073 124.411 120.570 -0.387 0.000 2.373 369 I HA 0.211 4.381 4.170 -0.001 0.000 0.287 369 I C 1.560 177.594 176.117 -0.138 0.000 1.124 369 I CA -0.701 60.489 61.300 -0.184 0.000 1.273 369 I CB 0.584 38.520 38.000 -0.108 0.000 1.578 369 I HN 0.253 nan 8.210 nan 0.000 0.572 370 G N 4.263 112.986 108.800 -0.129 0.000 2.443 370 G HA2 0.131 4.090 3.960 -0.001 0.000 0.286 370 G HA3 0.131 4.090 3.960 -0.001 0.000 0.286 370 G C 0.349 175.228 174.900 -0.036 0.000 1.393 370 G CA -0.510 44.547 45.100 -0.073 0.000 1.080 370 G HN 0.580 nan 8.290 nan 0.000 0.566 371 I N -1.379 119.182 120.570 -0.015 0.000 2.472 371 I HA 0.444 4.613 4.170 -0.001 0.000 0.290 371 I C -2.287 173.837 176.117 0.012 0.000 1.016 371 I CA -1.920 59.382 61.300 0.003 0.000 1.348 371 I CB 1.027 39.036 38.000 0.014 0.000 1.417 371 I HN 0.100 nan 8.210 nan 0.000 0.521 372 P HA 0.085 nan 4.420 nan 0.000 0.267 372 P C -1.216 176.105 177.300 0.035 0.000 1.200 372 P CA 0.066 63.182 63.100 0.027 0.000 0.772 372 P CB 0.413 32.135 31.700 0.037 0.000 0.855 373 D N 0.478 120.894 120.400 0.028 0.000 2.549 373 D HA 0.456 5.096 4.640 -0.001 0.000 0.270 373 D C 1.164 177.483 176.300 0.032 0.000 1.181 373 D CA -0.697 53.322 54.000 0.030 0.000 1.070 373 D CB 0.017 40.828 40.800 0.018 0.000 1.154 373 D HN 0.197 nan 8.370 nan 0.000 0.602 374 A N -0.118 122.719 122.820 0.029 0.000 1.869 374 A HA -0.246 4.073 4.320 -0.001 0.000 0.218 374 A C 2.094 179.690 177.584 0.020 0.000 1.203 374 A CA 2.965 55.017 52.037 0.025 0.000 0.638 374 A CB -1.794 17.214 19.000 0.014 0.000 0.831 374 A HN 0.682 nan 8.150 nan 0.000 0.450 375 T N -0.311 114.251 114.554 0.014 0.000 2.580 375 T HA -0.103 4.246 4.350 -0.001 0.000 0.265 375 T C 2.018 176.728 174.700 0.016 0.000 1.063 375 T CA 1.929 64.036 62.100 0.011 0.000 1.170 375 T CB -1.081 67.791 68.868 0.007 0.000 0.863 375 T HN 0.663 nan 8.240 nan 0.000 0.418 376 G N 1.612 110.422 108.800 0.017 0.000 2.476 376 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.218 376 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.218 376 G C 1.696 176.616 174.900 0.032 0.000 1.164 376 G CA 0.694 45.806 45.100 0.021 0.000 0.768 376 G HN 0.428 nan 8.290 nan 0.000 0.560 377 R N -0.505 120.017 120.500 0.036 0.000 2.096 377 R HA -0.081 4.258 4.340 -0.001 0.000 0.240 377 R C 2.449 178.777 176.300 0.047 0.000 1.139 377 R CA 1.208 57.336 56.100 0.045 0.000 0.952 377 R CB -0.819 29.507 30.300 0.043 0.000 0.854 377 R HN 0.317 nan 8.270 nan 0.000 0.436 378 L N 1.962 123.205 121.223 0.033 0.000 1.971 378 L HA -0.226 4.114 4.340 -0.001 0.000 0.215 378 L C 1.928 178.819 176.870 0.035 0.000 1.072 378 L CA 1.933 56.789 54.840 0.027 0.000 0.758 378 L CB -1.107 40.960 42.059 0.013 0.000 0.889 378 L HN 0.248 nan 8.230 nan 0.000 0.433 379 E N -0.421 119.797 120.200 0.030 0.000 2.136 379 E HA -0.289 4.061 4.350 -0.001 0.000 0.202 379 E C 2.171 178.798 176.600 0.046 0.000 1.019 379 E CA 1.939 58.357 56.400 0.029 0.000 0.819 379 E CB -0.188 29.525 29.700 0.022 0.000 0.739 379 E HN 0.591 nan 8.360 nan 0.000 0.458 380 I N 0.542 121.155 120.570 0.072 0.000 2.252 380 I HA -0.262 3.908 4.170 -0.001 0.000 0.245 380 I C 2.335 178.568 176.117 0.192 0.000 1.102 380 I CA 0.814 62.194 61.300 0.133 0.000 1.385 380 I CB -0.216 37.867 38.000 0.138 0.000 1.064 380 I HN 0.109 nan 8.210 nan 0.000 0.414 381 L N 0.175 121.483 121.223 0.142 0.000 2.083 381 L HA -0.244 4.095 4.340 -0.001 0.000 0.209 381 L C 2.649 179.596 176.870 0.129 0.000 1.083 381 L CA 1.453 56.386 54.840 0.156 0.000 0.752 381 L CB -0.533 41.591 42.059 0.109 0.000 0.899 381 L HN 0.337 nan 8.230 nan 0.000 0.433 382 Q N -0.246 119.598 119.800 0.073 0.000 2.123 382 Q HA -0.137 4.203 4.340 -0.001 0.000 0.199 382 Q C 2.336 178.351 176.000 0.024 0.000 0.966 382 Q CA 1.233 57.061 55.803 0.041 0.000 0.845 382 Q CB 0.001 28.750 28.738 0.019 0.000 0.907 382 Q HN 0.559 nan 8.270 nan 0.000 0.439 383 I N -0.226 120.343 120.570 -0.001 0.000 2.315 383 I HA -0.231 3.939 4.170 -0.001 0.000 0.248 383 I C 1.083 177.099 176.117 -0.169 0.000 1.117 383 I CA 1.186 62.424 61.300 -0.104 0.000 1.404 383 I CB -0.232 37.662 38.000 -0.177 0.000 1.071 383 I HN 0.221 nan 8.210 nan 0.000 0.419 384 H N -0.094 118.998 119.070 0.037 0.000 2.555 384 H HA 0.042 4.598 4.556 -0.001 0.000 0.283 384 H C 1.302 176.670 175.328 0.068 0.000 1.037 384 H CA 0.922 56.997 56.048 0.045 0.000 1.169 384 H CB 0.074 29.865 29.762 0.049 0.000 1.375 384 H HN 0.358 nan 8.280 nan 0.000 0.582 385 T N -3.726 110.904 114.554 0.127 0.000 3.009 385 T HA -0.029 4.320 4.350 -0.001 0.000 0.267 385 T C 1.629 176.372 174.700 0.072 0.000 0.942 385 T CA -0.406 61.770 62.100 0.128 0.000 0.883 385 T CB 0.129 69.085 68.868 0.147 0.000 1.192 385 T HN 0.339 nan 8.240 nan 0.000 0.524 386 K N 1.857 122.278 120.400 0.036 0.000 2.442 386 K HA -0.092 4.228 4.320 -0.001 0.000 0.200 386 K C 1.015 177.629 176.600 0.024 0.000 1.045 386 K CA 1.706 58.003 56.287 0.018 0.000 0.937 386 K CB -0.568 31.925 32.500 -0.011 0.000 0.757 386 K HN 0.376 nan 8.250 nan 0.000 0.474 387 N N 0.335 119.055 118.700 0.033 0.000 2.184 387 N HA 0.157 4.897 4.740 -0.001 0.000 0.206 387 N C -0.295 175.251 175.510 0.059 0.000 1.151 387 N CA -0.262 52.812 53.050 0.040 0.000 0.878 387 N CB 0.491 38.993 38.487 0.024 0.000 1.014 387 N HN 0.301 nan 8.380 nan 0.000 0.512 388 M N -1.160 118.479 119.600 0.066 0.000 2.598 388 M HA 0.420 4.900 4.480 -0.001 0.000 0.317 388 M C -0.642 175.697 176.300 0.065 0.000 1.179 388 M CA -0.843 54.499 55.300 0.071 0.000 0.936 388 M CB 1.999 34.654 32.600 0.092 0.000 1.713 388 M HN -0.297 nan 8.290 nan 0.000 0.460 389 K N 3.273 123.705 120.400 0.054 0.000 2.171 389 K HA 0.383 4.702 4.320 -0.001 0.000 0.274 389 K C -1.215 175.416 176.600 0.052 0.000 1.110 389 K CA -0.239 56.072 56.287 0.041 0.000 0.952 389 K CB 0.017 32.532 32.500 0.024 0.000 1.309 389 K HN 0.751 nan 8.250 nan 0.000 0.414 390 L N 4.219 125.471 121.223 0.049 0.000 2.361 390 L HA 0.202 4.542 4.340 -0.001 0.000 0.278 390 L C 0.855 177.737 176.870 0.019 0.000 1.113 390 L CA -0.590 54.278 54.840 0.046 0.000 0.849 390 L CB 0.818 42.880 42.059 0.005 0.000 1.155 390 L HN 0.669 nan 8.230 nan 0.000 0.452 391 A N 2.744 125.583 122.820 0.032 0.000 2.567 391 A HA -0.109 4.211 4.320 -0.001 0.000 0.236 391 A C 0.874 178.452 177.584 -0.009 0.000 1.088 391 A CA 0.145 52.192 52.037 0.016 0.000 0.776 391 A CB 0.048 19.066 19.000 0.029 0.000 1.033 391 A HN 0.848 nan 8.150 nan 0.000 0.513 392 D N -0.402 119.993 120.400 -0.008 0.000 2.269 392 D HA -0.071 4.569 4.640 -0.001 0.000 0.208 392 D C 1.139 177.424 176.300 -0.025 0.000 0.963 392 D CA 1.515 55.505 54.000 -0.017 0.000 0.864 392 D CB 0.060 40.854 40.800 -0.011 0.000 0.936 392 D HN 0.684 nan 8.370 nan 0.000 0.505 393 D N -0.107 120.281 120.400 -0.019 0.000 2.349 393 D HA -0.060 4.580 4.640 -0.001 0.000 0.224 393 D C 0.236 176.507 176.300 -0.047 0.000 1.029 393 D CA 0.061 54.048 54.000 -0.022 0.000 0.879 393 D CB -0.058 40.740 40.800 -0.003 0.000 0.906 393 D HN -0.004 nan 8.370 nan 0.000 0.528 394 V N 2.119 121.985 119.914 -0.080 0.000 2.397 394 V HA -0.013 4.106 4.120 -0.001 0.000 0.262 394 V C 0.358 176.336 176.094 -0.192 0.000 1.047 394 V CA -0.094 62.096 62.300 -0.183 0.000 1.003 394 V CB 0.759 32.423 31.823 -0.265 0.000 1.037 394 V HN 0.054 nan 8.190 nan 0.000 0.480 395 D N 5.206 125.498 120.400 -0.180 0.000 2.518 395 D HA 0.211 4.850 4.640 -0.001 0.000 0.230 395 D C 1.104 177.305 176.300 -0.165 0.000 1.138 395 D CA -0.196 53.724 54.000 -0.133 0.000 0.964 395 D CB 0.849 41.603 40.800 -0.077 0.000 1.011 395 D HN 0.472 nan 8.370 nan 0.000 0.517 396 L N 1.514 122.621 121.223 -0.194 0.000 2.187 396 L HA -0.128 4.211 4.340 -0.001 0.000 0.213 396 L C 2.192 179.016 176.870 -0.076 0.000 1.100 396 L CA 0.932 55.670 54.840 -0.170 0.000 0.765 396 L CB -0.078 41.897 42.059 -0.139 0.000 0.904 396 L HN 0.402 nan 8.230 nan 0.000 0.437 397 E N -0.182 119.982 120.200 -0.059 0.000 2.208 397 E HA -0.241 4.109 4.350 -0.001 0.000 0.193 397 E C 2.158 178.744 176.600 -0.023 0.000 0.988 397 E CA 0.601 56.983 56.400 -0.030 0.000 0.828 397 E CB 0.171 29.855 29.700 -0.027 0.000 0.763 397 E HN 0.475 nan 8.360 nan 0.000 0.478 398 Q N 0.058 119.838 119.800 -0.033 0.000 2.049 398 Q HA -0.113 4.227 4.340 -0.001 0.000 0.198 398 Q C 2.189 178.187 176.000 -0.003 0.000 0.971 398 Q CA 1.303 57.096 55.803 -0.017 0.000 0.833 398 Q CB 0.236 28.961 28.738 -0.022 0.000 0.896 398 Q HN 0.199 nan 8.270 nan 0.000 0.434 399 V N 1.367 121.274 119.914 -0.012 0.000 2.255 399 V HA -0.318 3.802 4.120 -0.001 0.000 0.247 399 V C 2.443 178.549 176.094 0.020 0.000 1.051 399 V CA 2.016 64.330 62.300 0.024 0.000 1.018 399 V CB -1.211 30.640 31.823 0.047 0.000 0.641 399 V HN 0.528 nan 8.190 nan 0.000 0.445 400 A N -0.004 122.825 122.820 0.014 0.000 1.978 400 A HA -0.257 4.063 4.320 -0.001 0.000 0.220 400 A C 2.092 179.695 177.584 0.030 0.000 1.170 400 A CA 2.065 54.114 52.037 0.020 0.000 0.636 400 A CB -0.681 18.330 19.000 0.018 0.000 0.810 400 A HN 0.612 nan 8.150 nan 0.000 0.448 401 N N 0.310 119.026 118.700 0.027 0.000 2.142 401 N HA -0.140 4.599 4.740 -0.001 0.000 0.186 401 N C 1.426 176.999 175.510 0.105 0.000 1.023 401 N CA 1.604 54.678 53.050 0.039 0.000 0.852 401 N CB -0.292 38.202 38.487 0.012 0.000 0.998 401 N HN 0.863 nan 8.380 nan 0.000 0.424 402 E N -0.054 120.203 120.200 0.095 0.000 2.437 402 E HA 0.025 4.374 4.350 -0.001 0.000 0.189 402 E C 0.028 176.636 176.600 0.013 0.000 1.054 402 E CA 0.262 56.760 56.400 0.164 0.000 0.874 402 E CB -0.248 29.500 29.700 0.080 0.000 1.011 402 E HN 0.143 nan 8.360 nan 0.000 0.474 403 T N -0.531 113.988 114.554 -0.057 0.000 3.275 403 T HA 0.053 4.403 4.350 -0.001 0.000 0.265 403 T C 0.267 174.828 174.700 -0.233 0.000 0.978 403 T CA -0.846 61.022 62.100 -0.387 0.000 0.923 403 T CB -0.597 68.091 68.868 -0.300 0.000 1.126 403 T HN 0.269 nan 8.240 nan 0.000 0.538 404 H N 0.435 119.470 119.070 -0.058 0.000 2.964 404 H HA 0.425 4.981 4.556 -0.001 0.000 0.328 404 H C 1.409 176.819 175.328 0.137 0.000 1.030 404 H CA 0.307 56.373 56.048 0.030 0.000 1.445 404 H CB 0.243 30.016 29.762 0.018 0.000 1.449 404 H HN 0.458 nan 8.280 nan 0.000 0.581 405 G N 2.397 111.297 108.800 0.167 0.000 2.308 405 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.221 405 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.221 405 G C -0.050 174.927 174.900 0.128 0.000 1.032 405 G CA 0.183 45.364 45.100 0.135 0.000 0.623 405 G HN 0.822 nan 8.290 nan 0.000 0.506 406 H N 0.688 119.726 119.070 -0.054 0.000 2.757 406 H HA 0.523 5.079 4.556 -0.001 0.000 0.370 406 H C 1.040 176.354 175.328 -0.023 0.000 1.172 406 H CA 0.456 56.476 56.048 -0.046 0.000 1.426 406 H CB 1.201 30.928 29.762 -0.058 0.000 1.438 406 H HN 0.894 nan 8.280 nan 0.000 0.612 407 V N -0.598 119.351 119.914 0.058 0.000 3.177 407 V HA 0.592 4.712 4.120 -0.001 0.000 0.319 407 V C 1.483 177.597 176.094 0.033 0.000 1.125 407 V CA -0.196 62.124 62.300 0.032 0.000 1.029 407 V CB 1.383 33.206 31.823 -0.001 0.000 1.119 407 V HN 0.805 nan 8.190 nan 0.000 0.452 408 G N 0.153 108.969 108.800 0.027 0.000 2.505 408 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.220 408 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.220 408 G C 1.474 176.362 174.900 -0.020 0.000 1.145 408 G CA 1.699 46.815 45.100 0.027 0.000 0.761 408 G HN 1.546 nan 8.290 nan 0.000 0.571 409 A N 0.991 123.798 122.820 -0.021 0.000 1.883 409 A HA -0.090 4.230 4.320 -0.001 0.000 0.217 409 A C 2.120 179.667 177.584 -0.062 0.000 1.186 409 A CA 2.114 54.123 52.037 -0.048 0.000 0.624 409 A CB -0.474 18.509 19.000 -0.028 0.000 0.822 409 A HN 0.338 nan 8.150 nan 0.000 0.444 410 D N 0.223 120.607 120.400 -0.028 0.000 2.092 410 D HA -0.156 4.483 4.640 -0.001 0.000 0.193 410 D C 2.031 178.332 176.300 0.003 0.000 0.994 410 D CA 1.447 55.451 54.000 0.006 0.000 0.828 410 D CB -0.427 40.419 40.800 0.076 0.000 0.963 410 D HN 0.473 nan 8.370 nan 0.000 0.450 411 L N 0.973 122.196 121.223 -0.000 0.000 2.012 411 L HA -0.180 4.160 4.340 -0.001 0.000 0.210 411 L C 2.714 179.511 176.870 -0.122 0.000 1.073 411 L CA 1.281 56.109 54.840 -0.019 0.000 0.748 411 L CB -0.582 41.486 42.059 0.015 0.000 0.891 411 L HN -0.028 nan 8.230 nan 0.000 0.431 412 A N -0.039 122.602 122.820 -0.297 0.000 1.978 412 A HA -0.174 4.145 4.320 -0.001 0.000 0.220 412 A C 2.487 179.913 177.584 -0.263 0.000 1.170 412 A CA 1.883 53.566 52.037 -0.590 0.000 0.636 412 A CB -0.621 17.863 19.000 -0.860 0.000 0.810 412 A HN 0.443 nan 8.150 nan 0.000 0.448 413 A N -0.815 121.913 122.820 -0.154 0.000 1.930 413 A HA 0.117 4.436 4.320 -0.001 0.000 0.215 413 A C 2.039 179.577 177.584 -0.076 0.000 1.176 413 A CA 1.396 53.379 52.037 -0.089 0.000 0.632 413 A CB -0.546 18.417 19.000 -0.062 0.000 0.819 413 A HN 0.583 nan 8.150 nan 0.000 0.445 414 L N 0.172 121.352 121.223 -0.072 0.000 2.043 414 L HA -0.220 4.119 4.340 -0.001 0.000 0.212 414 L C 2.412 179.195 176.870 -0.144 0.000 1.075 414 L CA 2.217 57.010 54.840 -0.079 0.000 0.752 414 L CB -0.887 41.151 42.059 -0.035 0.000 0.891 414 L HN 0.493 nan 8.230 nan 0.000 0.432 415 C N -1.729 117.506 119.300 -0.108 0.000 2.440 415 C HA -0.066 4.394 4.460 -0.001 0.000 0.278 415 C C 2.888 177.811 174.990 -0.111 0.000 1.295 415 C CA 0.949 59.897 59.018 -0.117 0.000 1.738 415 C CB -1.088 26.683 27.740 0.053 0.000 1.987 415 C HN 0.599 nan 8.230 nan 0.000 0.492 416 S N 0.415 116.074 115.700 -0.069 0.000 2.368 416 S HA -0.143 4.327 4.470 -0.001 0.000 0.225 416 S C 1.911 176.487 174.600 -0.040 0.000 1.030 416 S CA 1.185 59.362 58.200 -0.039 0.000 0.999 416 S CB -0.278 62.906 63.200 -0.026 0.000 0.844 416 S HN 0.591 nan 8.310 nan 0.000 0.459 417 E N 1.227 121.405 120.200 -0.036 0.000 2.150 417 E HA 0.004 4.354 4.350 -0.001 0.000 0.193 417 E C 2.234 178.856 176.600 0.036 0.000 0.985 417 E CA 0.914 57.340 56.400 0.043 0.000 0.814 417 E CB -0.355 29.395 29.700 0.084 0.000 0.752 417 E HN 0.469 nan 8.360 nan 0.000 0.466 418 A N 1.195 123.928 122.820 -0.144 0.000 1.898 418 A HA -0.014 4.305 4.320 -0.001 0.000 0.216 418 A C 2.383 179.866 177.584 -0.168 0.000 1.181 418 A CA 1.735 53.613 52.037 -0.264 0.000 0.620 418 A CB -0.462 17.984 19.000 -0.923 0.000 0.819 418 A HN 0.249 nan 8.150 nan 0.000 0.442 419 A N -0.442 122.296 122.820 -0.136 0.000 1.969 419 A HA 0.035 4.355 4.320 -0.001 0.000 0.218 419 A C 2.102 179.656 177.584 -0.049 0.000 1.169 419 A CA 1.359 53.364 52.037 -0.055 0.000 0.635 419 A CB -0.468 18.520 19.000 -0.020 0.000 0.810 419 A HN 0.468 nan 8.150 nan 0.000 0.445 420 L N -1.369 119.823 121.223 -0.051 0.000 2.209 420 L HA -0.124 4.216 4.340 -0.001 0.000 0.207 420 L C 2.744 179.546 176.870 -0.113 0.000 1.094 420 L CA 1.288 56.096 54.840 -0.054 0.000 0.790 420 L CB -0.367 41.679 42.059 -0.022 0.000 0.932 420 L HN 0.460 nan 8.230 nan 0.000 0.447 421 Q N 0.764 120.469 119.800 -0.159 0.000 2.084 421 Q HA -0.170 4.170 4.340 -0.001 0.000 0.202 421 Q C 2.172 178.032 176.000 -0.233 0.000 0.978 421 Q CA 2.174 57.775 55.803 -0.338 0.000 0.844 421 Q CB -0.191 28.300 28.738 -0.412 0.000 0.898 421 Q HN 0.406 nan 8.270 nan 0.000 0.426 422 A N 0.444 123.183 122.820 -0.134 0.000 1.858 422 A HA -0.143 4.177 4.320 -0.001 0.000 0.216 422 A C 2.183 179.719 177.584 -0.080 0.000 1.190 422 A CA 1.593 53.579 52.037 -0.085 0.000 0.617 422 A CB -0.885 18.095 19.000 -0.032 0.000 0.827 422 A HN 0.483 nan 8.150 nan 0.000 0.443 423 I N -0.913 119.617 120.570 -0.068 0.000 2.208 423 I HA -0.305 3.864 4.170 -0.001 0.000 0.245 423 I C 2.820 178.894 176.117 -0.071 0.000 1.097 423 I CA 1.493 62.760 61.300 -0.055 0.000 1.363 423 I CB -0.434 37.541 38.000 -0.041 0.000 1.051 423 I HN 0.333 nan 8.210 nan 0.000 0.413 424 R N 0.753 121.192 120.500 -0.102 0.000 2.081 424 R HA -0.166 4.174 4.340 -0.001 0.000 0.235 424 R C 2.341 178.576 176.300 -0.109 0.000 1.131 424 R CA 1.392 57.425 56.100 -0.112 0.000 0.960 424 R CB -0.166 30.037 30.300 -0.162 0.000 0.856 424 R HN 0.398 nan 8.270 nan 0.000 0.436 425 K N 0.626 120.949 120.400 -0.127 0.000 1.965 425 K HA -0.137 4.183 4.320 -0.001 0.000 0.214 425 K C 2.086 178.644 176.600 -0.070 0.000 1.042 425 K CA 1.215 57.438 56.287 -0.107 0.000 0.950 425 K CB -0.191 32.238 32.500 -0.117 0.000 0.733 425 K HN -0.002 nan 8.250 nan 0.000 0.441 426 K N 0.917 121.282 120.400 -0.058 0.000 2.281 426 K HA -0.182 4.138 4.320 -0.001 0.000 0.203 426 K C 2.177 178.756 176.600 -0.035 0.000 1.046 426 K CA 1.632 57.896 56.287 -0.040 0.000 0.938 426 K CB -0.072 32.409 32.500 -0.031 0.000 0.737 426 K HN 0.231 nan 8.250 nan 0.000 0.458 427 M N 0.465 120.041 119.600 -0.040 0.000 2.254 427 M HA -0.111 4.369 4.480 -0.001 0.000 0.265 427 M C 1.495 177.777 176.300 -0.031 0.000 1.066 427 M CA 1.803 57.083 55.300 -0.032 0.000 1.123 427 M CB -0.312 32.268 32.600 -0.033 0.000 1.388 427 M HN 0.000 nan 8.290 nan 0.000 0.425 428 D N 2.314 122.691 120.400 -0.037 0.000 2.172 428 D HA -0.209 4.431 4.640 -0.001 0.000 0.196 428 D C 1.376 177.660 176.300 -0.026 0.000 0.999 428 D CA 2.084 56.064 54.000 -0.033 0.000 0.856 428 D CB -0.474 40.302 40.800 -0.040 0.000 0.934 428 D HN 0.653 nan 8.370 nan 0.000 0.453 429 L N -1.595 119.613 121.223 -0.025 0.000 2.910 429 L HA 0.530 4.869 4.340 -0.001 0.000 0.252 429 L C 0.219 177.079 176.870 -0.017 0.000 1.195 429 L CA -0.565 54.263 54.840 -0.019 0.000 1.003 429 L CB 0.189 42.237 42.059 -0.019 0.000 1.328 429 L HN 0.038 nan 8.230 nan 0.000 0.540 430 I N -0.091 120.468 120.570 -0.018 0.000 2.969 430 I HA 0.383 4.553 4.170 -0.001 0.000 0.307 430 I C -1.039 175.070 176.117 -0.013 0.000 1.149 430 I CA -0.748 60.543 61.300 -0.015 0.000 1.008 430 I CB 2.833 40.823 38.000 -0.016 0.000 1.232 430 I HN 0.112 nan 8.210 nan 0.000 0.435 431 D N 4.681 125.075 120.400 -0.010 0.000 2.390 431 D HA 0.156 4.795 4.640 -0.001 0.000 0.249 431 D C 0.318 176.613 176.300 -0.008 0.000 1.144 431 D CA 0.227 54.222 54.000 -0.008 0.000 0.880 431 D CB 0.872 41.669 40.800 -0.005 0.000 1.182 431 D HN 0.425 nan 8.370 nan 0.000 0.451 432 L N 3.175 124.394 121.223 -0.007 0.000 2.728 432 L HA 0.152 4.491 4.340 -0.001 0.000 0.238 432 L C 0.633 177.502 176.870 -0.003 0.000 1.143 432 L CA -0.058 54.778 54.840 -0.007 0.000 0.937 432 L CB -0.119 41.934 42.059 -0.009 0.000 1.225 432 L HN 0.657 nan 8.230 nan 0.000 0.507 433 E N 1.079 121.279 120.200 -0.001 0.000 2.403 433 E HA -0.293 4.057 4.350 -0.001 0.000 0.241 433 E C 0.602 177.203 176.600 0.001 0.000 1.201 433 E CA 0.682 57.083 56.400 0.002 0.000 0.721 433 E CB -0.680 29.023 29.700 0.005 0.000 1.245 433 E HN 0.533 nan 8.360 nan 0.000 0.392 434 D N -0.678 119.721 120.400 -0.001 0.000 4.769 434 D HA -0.393 4.246 4.640 -0.001 0.000 0.434 434 D C 1.697 177.997 176.300 0.000 0.000 1.471 434 D CA 3.370 57.370 54.000 -0.001 0.000 1.222 434 D CB -0.686 40.113 40.800 -0.002 0.000 0.703 434 D HN 0.740 nan 8.370 nan 0.000 0.751 435 E N 0.246 120.447 120.200 0.001 0.000 2.026 435 E HA -0.153 4.197 4.350 -0.001 0.000 0.206 435 E C 1.391 177.993 176.600 0.003 0.000 1.028 435 E CA 1.966 58.367 56.400 0.002 0.000 0.845 435 E CB -0.519 29.183 29.700 0.004 0.000 0.772 435 E HN 0.361 nan 8.360 nan 0.000 0.462 436 T N 0.013 114.570 114.554 0.005 0.000 2.971 436 T HA 0.494 4.843 4.350 -0.001 0.000 0.304 436 T C -0.445 174.260 174.700 0.009 0.000 1.038 436 T CA -0.694 61.410 62.100 0.007 0.000 1.007 436 T CB 0.833 69.707 68.868 0.009 0.000 1.055 436 T HN 0.346 nan 8.240 nan 0.000 0.451 437 I N 2.870 123.445 120.570 0.009 0.000 2.813 437 I HA 0.127 4.297 4.170 -0.001 0.000 0.287 437 I C 0.824 176.951 176.117 0.017 0.000 1.196 437 I CA 0.122 61.429 61.300 0.011 0.000 1.421 437 I CB 0.230 38.236 38.000 0.011 0.000 1.365 437 I HN 0.657 nan 8.210 nan 0.000 0.591 438 D N 2.531 122.939 120.400 0.015 0.000 2.225 438 D HA 0.497 5.136 4.640 -0.001 0.000 0.249 438 D C 0.748 177.060 176.300 0.019 0.000 1.052 438 D CA -0.161 53.850 54.000 0.018 0.000 0.909 438 D CB 1.816 42.623 40.800 0.011 0.000 1.186 438 D HN 0.575 nan 8.370 nan 0.000 0.431 439 A N 3.079 125.916 122.820 0.028 0.000 1.828 439 A HA -0.171 4.148 4.320 -0.001 0.000 0.215 439 A C 1.791 179.352 177.584 -0.040 0.000 1.203 439 A CA 1.388 53.438 52.037 0.020 0.000 0.614 439 A CB -0.717 18.312 19.000 0.049 0.000 0.844 439 A HN 0.756 nan 8.150 nan 0.000 0.445 440 E N 0.506 120.677 120.200 -0.048 0.000 2.130 440 E HA -0.165 4.184 4.350 -0.001 0.000 0.196 440 E C 2.026 178.597 176.600 -0.048 0.000 0.998 440 E CA 1.610 57.969 56.400 -0.067 0.000 0.806 440 E CB -1.283 28.390 29.700 -0.046 0.000 0.738 440 E HN 0.337 nan 8.360 nan 0.000 0.459 441 V N 1.692 121.590 119.914 -0.026 0.000 2.255 441 V HA -0.277 3.843 4.120 -0.001 0.000 0.247 441 V C 2.576 178.659 176.094 -0.019 0.000 1.051 441 V CA 2.138 64.427 62.300 -0.018 0.000 1.018 441 V CB -0.491 31.327 31.823 -0.009 0.000 0.641 441 V HN 0.231 nan 8.190 nan 0.000 0.445 442 M N 0.078 119.669 119.600 -0.015 0.000 2.358 442 M HA -0.105 4.375 4.480 -0.001 0.000 0.264 442 M C 1.997 178.285 176.300 -0.019 0.000 1.064 442 M CA 1.235 56.530 55.300 -0.007 0.000 1.093 442 M CB -1.685 30.922 32.600 0.011 0.000 1.401 442 M HN 0.465 nan 8.290 nan 0.000 0.440 443 N N 0.122 118.792 118.700 -0.050 0.000 2.354 443 N HA -0.080 4.660 4.740 -0.001 0.000 0.179 443 N C 1.622 177.104 175.510 -0.048 0.000 1.021 443 N CA 1.444 54.450 53.050 -0.073 0.000 0.887 443 N CB 0.262 38.661 38.487 -0.148 0.000 0.974 443 N HN 0.417 nan 8.380 nan 0.000 0.437 444 S N 0.634 116.311 115.700 -0.038 0.000 2.357 444 S HA -0.067 4.403 4.470 -0.001 0.000 0.221 444 S C 1.148 175.740 174.600 -0.014 0.000 1.031 444 S CA -0.178 58.006 58.200 -0.026 0.000 0.982 444 S CB -0.765 62.421 63.200 -0.023 0.000 0.853 444 S HN 0.229 nan 8.310 nan 0.000 0.458 445 L N 2.939 124.155 121.223 -0.011 0.000 2.737 445 L HA 0.307 4.646 4.340 -0.001 0.000 0.279 445 L C 0.052 176.927 176.870 0.009 0.000 1.200 445 L CA 0.279 55.117 54.840 -0.003 0.000 0.952 445 L CB -0.690 41.367 42.059 -0.003 0.000 1.240 445 L HN 0.464 nan 8.230 nan 0.000 0.486 446 A N 5.203 128.031 122.820 0.014 0.000 2.342 446 A HA 0.689 5.009 4.320 -0.001 0.000 0.323 446 A C -0.787 176.828 177.584 0.052 0.000 1.125 446 A CA -0.699 51.356 52.037 0.031 0.000 0.785 446 A CB 1.383 20.396 19.000 0.023 0.000 1.221 446 A HN 0.492 nan 8.150 nan 0.000 0.463 447 V N 3.179 123.147 119.914 0.091 0.000 2.389 447 V HA 0.360 4.479 4.120 -0.001 0.000 0.264 447 V C 1.010 177.212 176.094 0.181 0.000 1.049 447 V CA 0.116 62.508 62.300 0.153 0.000 0.932 447 V CB 0.608 32.583 31.823 0.253 0.000 1.011 447 V HN 1.032 nan 8.190 nan 0.000 0.475 448 T N 2.455 117.101 114.554 0.154 0.000 2.904 448 T HA 0.302 4.652 4.350 -0.001 0.000 0.290 448 T C 0.940 175.770 174.700 0.217 0.000 1.018 448 T CA -0.557 61.623 62.100 0.134 0.000 1.075 448 T CB 1.040 69.958 68.868 0.083 0.000 0.986 448 T HN 0.480 nan 8.240 nan 0.000 0.523 449 M N 0.937 120.613 119.600 0.128 0.000 2.530 449 M HA -0.020 4.460 4.480 -0.001 0.000 0.261 449 M C 1.095 177.512 176.300 0.195 0.000 1.067 449 M CA 1.444 56.820 55.300 0.127 0.000 1.071 449 M CB -1.080 31.537 32.600 0.028 0.000 1.405 449 M HN 0.759 nan 8.290 nan 0.000 0.478 450 D N 0.103 120.603 120.400 0.166 0.000 2.162 450 D HA -0.102 4.537 4.640 -0.001 0.000 0.203 450 D C 1.370 177.789 176.300 0.199 0.000 0.967 450 D CA 1.083 55.174 54.000 0.152 0.000 0.840 450 D CB -0.049 40.809 40.800 0.097 0.000 0.972 450 D HN 0.404 nan 8.370 nan 0.000 0.482 451 D N -0.532 119.986 120.400 0.196 0.000 2.219 451 D HA -0.126 4.514 4.640 -0.001 0.000 0.205 451 D C 1.714 178.108 176.300 0.156 0.000 0.970 451 D CA 0.530 54.620 54.000 0.150 0.000 0.851 451 D CB -0.185 40.653 40.800 0.063 0.000 0.943 451 D HN 0.273 nan 8.370 nan 0.000 0.488 452 F N 1.151 121.170 119.950 0.116 0.000 2.293 452 F HA 0.052 4.579 4.527 -0.001 0.000 0.297 452 F C 2.481 178.333 175.800 0.087 0.000 1.089 452 F CA 0.592 58.647 58.000 0.093 0.000 1.377 452 F CB -0.034 38.997 39.000 0.053 0.000 1.051 452 F HN -0.192 nan 8.300 nan 0.000 0.511 453 R N -1.346 119.312 120.500 0.264 0.000 2.075 453 R HA -0.219 4.121 4.340 -0.001 0.000 0.232 453 R C 2.068 178.452 176.300 0.139 0.000 1.126 453 R CA 1.772 57.973 56.100 0.168 0.000 0.963 453 R CB -0.879 29.512 30.300 0.152 0.000 0.858 453 R HN 0.402 nan 8.270 nan 0.000 0.435 454 W N 1.389 122.699 121.300 0.017 0.000 2.381 454 W HA -0.129 4.531 4.660 -0.001 0.000 0.301 454 W C 2.217 178.719 176.519 -0.028 0.000 1.205 454 W CA 1.683 59.023 57.345 -0.008 0.000 1.285 454 W CB -0.263 29.188 29.460 -0.016 0.000 1.133 454 W HN 0.085 nan 8.180 nan 0.000 0.521 455 A N 0.400 123.250 122.820 0.050 0.000 1.908 455 A HA -0.206 4.114 4.320 -0.001 0.000 0.218 455 A C 2.055 179.490 177.584 -0.249 0.000 1.181 455 A CA 1.875 53.812 52.037 -0.167 0.000 0.627 455 A CB -1.149 17.817 19.000 -0.058 0.000 0.818 455 A HN 0.396 nan 8.150 nan 0.000 0.445 456 L N -0.147 120.996 121.223 -0.132 0.000 2.275 456 L HA -0.098 4.241 4.340 -0.001 0.000 0.215 456 L C 2.203 178.973 176.870 -0.167 0.000 1.119 456 L CA 1.067 55.837 54.840 -0.118 0.000 0.790 456 L CB -0.144 41.886 42.059 -0.048 0.000 0.919 456 L HN 0.297 nan 8.230 nan 0.000 0.443 457 S N -1.533 114.017 115.700 -0.251 0.000 2.562 457 S HA 0.005 4.475 4.470 -0.001 0.000 0.221 457 S C 0.747 175.134 174.600 -0.356 0.000 0.975 457 S CA 0.244 58.284 58.200 -0.267 0.000 0.918 457 S CB 0.086 63.126 63.200 -0.267 0.000 0.772 457 S HN 0.284 nan 8.310 nan 0.000 0.531 458 Q N 0.000 119.521 119.800 -0.465 0.000 2.315 458 Q HA 0.000 4.340 4.340 -0.001 0.000 0.214 458 Q CA 0.000 55.543 55.803 -0.434 0.000 1.022 458 Q CB 0.000 28.325 28.738 -0.688 0.000 1.108 458 Q HN 0.000 nan 8.270 nan 0.000 0.481