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 3mdr_1_B DATA FIRST_RESID 58 DATA SEQUENCE RVLQDVFLDW AKKYGPVVRV NVFHKTSVIV TSPESVKKFL MSTKYNKDSK DATA SEQUENCE MYRALQTVFG ERLFGQGLVS ECNYERWHKQ RRVIDLAFSR SSLVSLMETF DATA SEQUENCE NEKAEQLVEI LEAKADGQTP VSMQDMLTYT AMDILAKAAF GMETSMLLGA DATA SEQUENCE QKPLSQAVKL MLEGITASRN TXXXXXXXKR KQLREVRESI RFLRQVGRDW DATA SEQUENCE VQRRREALKR GEEVPADILT QILKAEEGAQ DDEGLLDNFV TFFIAGHETS DATA SEQUENCE ANHLAFTVME LSRQPEIVAR LQAEVDEVIG SKRYLDFEDL GRLQYLSQVL DATA SEQUENCE KESLRLYPPA WGTFRLLEEE TLIDGVRVPG NTPLLFSTYV MGRMDTYFED DATA SEQUENCE PLTFNPDRFG PGAPKPRFTY FPFSLGHRSC IGQQFAQMEV KVVMAKLLQR DATA SEQUENCE LEFRLVPGQR FGLQEQATLK PLDPVLCTLR PR 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 58 R HA 0.000 nan 4.340 nan 0.000 0.208 58 R C 0.000 176.242 176.300 -0.097 0.000 0.893 58 R CA 0.000 56.074 56.100 -0.043 0.000 0.921 58 R CB 0.000 30.267 30.300 -0.055 0.000 0.687 59 V N 0.690 120.507 119.914 -0.161 0.000 3.177 59 V HA 0.452 4.571 4.120 -0.001 0.000 0.319 59 V C 1.197 177.054 176.094 -0.396 0.000 1.125 59 V CA -0.950 61.200 62.300 -0.249 0.000 1.029 59 V CB 1.305 32.962 31.823 -0.277 0.000 1.119 59 V HN 0.738 nan 8.190 nan 0.000 0.452 60 L N 0.912 121.845 121.223 -0.483 0.000 2.081 60 L HA -0.130 4.209 4.340 -0.001 0.000 0.212 60 L C 2.526 178.729 176.870 -1.111 0.000 1.080 60 L CA 1.984 56.367 54.840 -0.762 0.000 0.754 60 L CB -0.947 40.667 42.059 -0.742 0.000 0.893 60 L HN 0.860 nan 8.230 nan 0.000 0.433 61 Q N -0.432 118.783 119.800 -0.975 0.000 2.170 61 Q HA -0.204 4.135 4.340 -0.001 0.000 0.203 61 Q C 1.909 177.619 176.000 -0.485 0.000 0.976 61 Q CA 1.685 56.957 55.803 -0.884 0.000 0.858 61 Q CB -0.430 27.635 28.738 -1.122 0.000 0.907 61 Q HN 0.646 nan 8.270 nan 0.000 0.433 62 D N -0.076 120.079 120.400 -0.409 0.000 2.144 62 D HA -0.097 4.542 4.640 -0.001 0.000 0.199 62 D C 2.030 178.167 176.300 -0.272 0.000 0.984 62 D CA 0.680 54.579 54.000 -0.169 0.000 0.834 62 D CB 0.152 40.880 40.800 -0.120 0.000 0.955 62 D HN 0.055 nan 8.370 nan 0.000 0.465 63 V N 1.237 120.857 119.914 -0.490 0.000 2.307 63 V HA -0.230 3.890 4.120 -0.001 0.000 0.245 63 V C 2.255 177.922 176.094 -0.713 0.000 1.045 63 V CA 1.193 63.074 62.300 -0.699 0.000 1.024 63 V CB -0.549 30.733 31.823 -0.901 0.000 0.651 63 V HN 0.042 nan 8.190 nan 0.000 0.449 64 F N -0.268 119.327 119.950 -0.592 0.000 2.161 64 F HA -0.179 4.348 4.527 -0.001 0.000 0.300 64 F C 2.150 177.868 175.800 -0.137 0.000 1.089 64 F CA 1.298 59.094 58.000 -0.340 0.000 1.282 64 F CB -1.314 37.511 39.000 -0.293 0.000 1.010 64 F HN 0.157 nan 8.300 nan 0.000 0.485 65 L N 0.616 121.872 121.223 0.055 0.000 1.994 65 L HA -0.194 4.145 4.340 -0.001 0.000 0.208 65 L C 2.022 178.923 176.870 0.052 0.000 1.071 65 L CA 1.985 56.869 54.840 0.074 0.000 0.745 65 L CB -1.153 40.949 42.059 0.070 0.000 0.892 65 L HN -0.057 nan 8.230 nan 0.000 0.431 66 D N -0.778 119.611 120.400 -0.019 0.000 2.149 66 D HA -0.247 4.392 4.640 -0.001 0.000 0.194 66 D C 1.970 178.377 176.300 0.178 0.000 1.001 66 D CA 1.639 55.651 54.000 0.020 0.000 0.849 66 D CB -0.398 40.377 40.800 -0.042 0.000 0.939 66 D HN 0.494 nan 8.370 nan 0.000 0.449 67 W N 1.090 122.444 121.300 0.089 0.000 2.453 67 W HA 0.216 4.875 4.660 -0.002 0.000 0.289 67 W C 2.567 179.158 176.519 0.120 0.000 1.215 67 W CA 0.248 57.690 57.345 0.162 0.000 1.297 67 W CB -1.300 28.334 29.460 0.290 0.000 1.113 67 W HN -0.047 nan 8.180 nan 0.000 0.551 68 A N 0.774 123.775 122.820 0.303 0.000 1.908 68 A HA -0.240 4.079 4.320 -0.001 0.000 0.218 68 A C 2.046 179.696 177.584 0.110 0.000 1.181 68 A CA 2.173 54.320 52.037 0.185 0.000 0.627 68 A CB -0.688 18.404 19.000 0.153 0.000 0.818 68 A HN 0.280 nan 8.150 nan 0.000 0.445 69 K N -0.626 119.816 120.400 0.070 0.000 2.025 69 K HA -0.136 4.183 4.320 -0.001 0.000 0.207 69 K C 2.259 178.828 176.600 -0.053 0.000 1.049 69 K CA 1.727 58.012 56.287 -0.003 0.000 0.933 69 K CB -0.125 32.366 32.500 -0.015 0.000 0.714 69 K HN 0.504 nan 8.250 nan 0.000 0.438 70 K N -0.275 120.056 120.400 -0.115 0.000 2.076 70 K HA -0.086 4.233 4.320 -0.001 0.000 0.204 70 K C 1.054 177.430 176.600 -0.373 0.000 1.051 70 K CA 1.192 57.273 56.287 -0.344 0.000 0.949 70 K CB 0.181 32.314 32.500 -0.612 0.000 0.726 70 K HN 0.095 nan 8.250 nan 0.000 0.443 71 Y N -0.306 120.021 120.300 0.046 0.000 2.467 71 Y HA 0.331 4.881 4.550 -0.001 0.000 0.250 71 Y C 0.792 176.696 175.900 0.006 0.000 1.155 71 Y CA 0.112 58.214 58.100 0.003 0.000 1.249 71 Y CB 1.110 39.547 38.460 -0.038 0.000 1.146 71 Y HN 0.298 nan 8.280 nan 0.000 0.524 72 G N 0.582 109.458 108.800 0.127 0.000 2.526 72 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.250 72 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.250 72 G C -2.224 172.731 174.900 0.091 0.000 1.289 72 G CA -0.538 44.613 45.100 0.085 0.000 0.947 72 G HN -0.034 nan 8.290 nan 0.000 0.517 73 P HA 0.255 nan 4.420 nan 0.000 0.233 73 P C 0.322 177.654 177.300 0.053 0.000 1.167 73 P CA 0.906 64.059 63.100 0.087 0.000 0.770 73 P CB 0.301 32.055 31.700 0.091 0.000 0.837 74 V N 0.339 120.273 119.914 0.033 0.000 2.419 74 V HA 0.285 4.405 4.120 -0.001 0.000 0.287 74 V C -0.569 175.512 176.094 -0.023 0.000 1.017 74 V CA -0.638 61.656 62.300 -0.011 0.000 0.844 74 V CB 2.457 34.273 31.823 -0.012 0.000 1.011 74 V HN -0.335 nan 8.190 nan 0.000 0.429 75 V N 4.594 124.479 119.914 -0.049 0.000 2.569 75 V HA 0.496 4.615 4.120 -0.001 0.000 0.301 75 V C 0.039 176.064 176.094 -0.114 0.000 1.044 75 V CA -0.886 61.378 62.300 -0.060 0.000 0.874 75 V CB 2.119 33.964 31.823 0.036 0.000 1.002 75 V HN 0.874 nan 8.190 nan 0.000 0.424 76 R N 3.606 124.022 120.500 -0.140 0.000 2.347 76 R HA 0.608 4.947 4.340 -0.001 0.000 0.304 76 R C -0.593 175.632 176.300 -0.125 0.000 1.072 76 R CA -0.061 55.957 56.100 -0.136 0.000 0.980 76 R CB 0.967 31.189 30.300 -0.129 0.000 0.986 76 R HN 0.748 nan 8.270 nan 0.000 0.448 77 V N 1.217 121.070 119.914 -0.102 0.000 3.114 77 V HA 0.524 4.643 4.120 -0.001 0.000 0.308 77 V C -1.182 174.922 176.094 0.016 0.000 1.168 77 V CA -1.297 60.998 62.300 -0.008 0.000 1.015 77 V CB 2.449 34.157 31.823 -0.190 0.000 1.050 77 V HN 0.722 nan 8.190 nan 0.000 0.433 78 N N 1.588 120.377 118.700 0.149 0.000 2.419 78 N HA 0.613 5.352 4.740 -0.001 0.000 0.264 78 N C -0.960 174.661 175.510 0.185 0.000 1.031 78 N CA -0.071 53.061 53.050 0.136 0.000 0.951 78 N CB 1.854 40.430 38.487 0.149 0.000 1.101 78 N HN 0.817 nan 8.380 nan 0.000 0.488 79 V N 4.252 124.210 119.914 0.073 0.000 2.686 79 V HA 0.440 4.559 4.120 -0.001 0.000 0.306 79 V C -0.466 175.558 176.094 -0.117 0.000 1.065 79 V CA -0.589 61.687 62.300 -0.039 0.000 0.894 79 V CB 0.168 31.927 31.823 -0.108 0.000 1.004 79 V HN 0.839 nan 8.190 nan 0.000 0.424 80 F N 7.366 127.311 119.950 -0.007 0.000 3.074 80 F HA -0.229 4.298 4.527 -0.001 0.000 0.287 80 F C 1.109 176.547 175.800 -0.602 0.000 0.932 80 F CA 0.915 58.754 58.000 -0.268 0.000 0.995 80 F CB -1.846 37.005 39.000 -0.248 0.000 0.966 80 F HN 1.332 nan 8.300 nan 0.000 0.721 81 H N -1.614 117.572 119.070 0.194 0.000 2.731 81 H HA -0.186 4.369 4.556 -0.001 0.000 0.305 81 H C -0.627 174.751 175.328 0.083 0.000 1.132 81 H CA 1.281 57.400 56.048 0.118 0.000 1.148 81 H CB -1.804 28.020 29.762 0.102 0.000 1.379 81 H HN 0.617 nan 8.280 nan 0.000 0.398 82 K N -0.488 119.981 120.400 0.115 0.000 2.469 82 K HA 0.514 4.833 4.320 -0.001 0.000 0.254 82 K C -0.162 176.453 176.600 0.025 0.000 0.939 82 K CA -0.551 55.779 56.287 0.073 0.000 0.812 82 K CB 2.450 34.963 32.500 0.022 0.000 1.301 82 K HN 0.250 nan 8.250 nan 0.000 0.433 83 T N 0.489 115.052 114.554 0.016 0.000 2.918 83 T HA 0.296 4.645 4.350 -0.001 0.000 0.302 83 T C -0.566 174.116 174.700 -0.030 0.000 1.045 83 T CA 0.321 62.417 62.100 -0.006 0.000 1.114 83 T CB 0.457 69.319 68.868 -0.010 0.000 0.965 83 T HN 0.509 nan 8.240 nan 0.000 0.540 84 S N 2.294 117.968 115.700 -0.044 0.000 2.567 84 S HA 0.537 5.007 4.470 -0.001 0.000 0.270 84 S C -1.761 172.778 174.600 -0.101 0.000 1.152 84 S CA -0.738 57.434 58.200 -0.047 0.000 0.835 84 S CB 1.281 64.491 63.200 0.016 0.000 1.115 84 S HN 0.562 nan 8.310 nan 0.000 0.459 85 V N 3.798 123.635 119.914 -0.128 0.000 2.357 85 V HA 0.499 4.619 4.120 -0.001 0.000 0.284 85 V C 0.209 176.150 176.094 -0.255 0.000 1.018 85 V CA -0.647 61.546 62.300 -0.177 0.000 0.841 85 V CB 1.066 32.791 31.823 -0.163 0.000 0.991 85 V HN 0.811 nan 8.190 nan 0.000 0.437 86 I N 6.136 126.542 120.570 -0.274 0.000 2.471 86 I HA 0.332 4.501 4.170 -0.001 0.000 0.286 86 I C -0.545 175.436 176.117 -0.228 0.000 1.079 86 I CA 0.356 61.474 61.300 -0.303 0.000 1.398 86 I CB 0.798 38.597 38.000 -0.334 0.000 1.403 86 I HN 0.374 nan 8.210 nan 0.000 0.530 87 V N 6.646 126.378 119.914 -0.302 0.000 2.409 87 V HA 0.320 4.439 4.120 -0.001 0.000 0.291 87 V C 0.580 176.659 176.094 -0.026 0.000 1.020 87 V CA -0.172 62.014 62.300 -0.191 0.000 0.848 87 V CB 1.399 33.024 31.823 -0.330 0.000 0.990 87 V HN 0.872 nan 8.190 nan 0.000 0.430 88 T N -0.988 113.619 114.554 0.088 0.000 3.231 88 T HA 0.169 4.518 4.350 -0.001 0.000 0.292 88 T C 0.475 175.325 174.700 0.250 0.000 1.001 88 T CA 0.084 62.304 62.100 0.199 0.000 0.920 88 T CB 0.174 69.177 68.868 0.224 0.000 1.140 88 T HN 0.638 nan 8.240 nan 0.000 0.525 89 S N 1.589 117.402 115.700 0.188 0.000 2.562 89 S HA 0.457 4.926 4.470 -0.001 0.000 0.275 89 S C -1.916 172.734 174.600 0.084 0.000 1.281 89 S CA -1.238 57.064 58.200 0.170 0.000 1.045 89 S CB 1.607 64.883 63.200 0.128 0.000 0.962 89 S HN -0.070 nan 8.310 nan 0.000 0.503 90 P HA -0.063 nan 4.420 nan 0.000 0.219 90 P C 0.793 178.072 177.300 -0.035 0.000 1.146 90 P CA 1.073 64.169 63.100 -0.007 0.000 0.808 90 P CB 0.035 31.706 31.700 -0.047 0.000 0.779 91 E N -0.636 119.537 120.200 -0.044 0.000 2.106 91 E HA -0.086 4.263 4.350 -0.001 0.000 0.192 91 E C 2.134 178.629 176.600 -0.174 0.000 0.984 91 E CA 1.235 57.560 56.400 -0.125 0.000 0.806 91 E CB -0.937 28.718 29.700 -0.075 0.000 0.750 91 E HN 0.165 nan 8.360 nan 0.000 0.458 92 S N -0.079 115.590 115.700 -0.052 0.000 2.371 92 S HA -0.098 4.372 4.470 -0.001 0.000 0.224 92 S C 2.120 176.787 174.600 0.112 0.000 1.029 92 S CA 0.835 59.052 58.200 0.029 0.000 0.978 92 S CB -0.198 63.156 63.200 0.257 0.000 0.833 92 S HN 0.054 nan 8.310 nan 0.000 0.466 93 V N 2.451 122.425 119.914 0.100 0.000 2.282 93 V HA -0.263 3.856 4.120 -0.001 0.000 0.249 93 V C 2.437 178.332 176.094 -0.333 0.000 1.057 93 V CA 2.062 64.329 62.300 -0.055 0.000 1.032 93 V CB -0.610 31.195 31.823 -0.031 0.000 0.645 93 V HN 0.472 nan 8.190 nan 0.000 0.447 94 K N 0.455 120.514 120.400 -0.568 0.000 2.026 94 K HA -0.266 4.053 4.320 -0.001 0.000 0.208 94 K C 2.326 178.595 176.600 -0.550 0.000 1.048 94 K CA 2.099 57.805 56.287 -0.969 0.000 0.929 94 K CB -0.203 31.441 32.500 -1.427 0.000 0.713 94 K HN 0.451 nan 8.250 nan 0.000 0.439 95 K N -0.455 119.645 120.400 -0.501 0.000 2.026 95 K HA -0.138 4.181 4.320 -0.001 0.000 0.208 95 K C 1.789 178.059 176.600 -0.549 0.000 1.048 95 K CA 1.609 57.561 56.287 -0.559 0.000 0.929 95 K CB -0.111 31.905 32.500 -0.807 0.000 0.713 95 K HN 0.089 nan 8.250 nan 0.000 0.439 96 F N 0.658 120.421 119.950 -0.311 0.000 2.387 96 F HA 0.104 4.631 4.527 -0.001 0.000 0.294 96 F C 1.843 177.452 175.800 -0.318 0.000 1.093 96 F CA 0.470 58.196 58.000 -0.457 0.000 1.420 96 F CB 0.003 38.779 39.000 -0.373 0.000 1.086 96 F HN -0.064 nan 8.300 nan 0.000 0.531 97 L N -1.110 119.945 121.223 -0.279 0.000 2.354 97 L HA 0.009 4.348 4.340 -0.001 0.000 0.212 97 L C 1.821 178.635 176.870 -0.094 0.000 1.091 97 L CA 0.373 55.039 54.840 -0.290 0.000 0.828 97 L CB -0.357 41.402 42.059 -0.500 0.000 0.973 97 L HN 0.056 nan 8.230 nan 0.000 0.461 98 M N -0.764 118.783 119.600 -0.088 0.000 2.618 98 M HA 0.092 4.571 4.480 -0.001 0.000 0.240 98 M C 0.690 177.010 176.300 0.033 0.000 1.123 98 M CA 0.491 55.784 55.300 -0.011 0.000 1.060 98 M CB -0.561 32.005 32.600 -0.056 0.000 1.535 98 M HN -0.014 nan 8.290 nan 0.000 0.507 99 S N 0.200 115.947 115.700 0.079 0.000 2.502 99 S HA 0.314 4.784 4.470 -0.001 0.000 0.304 99 S C 1.154 175.778 174.600 0.041 0.000 1.097 99 S CA -0.484 57.751 58.200 0.058 0.000 1.045 99 S CB 1.169 64.410 63.200 0.067 0.000 1.019 99 S HN 0.497 nan 8.310 nan 0.000 0.481 100 T N 2.440 116.888 114.554 -0.176 0.000 3.077 100 T HA -0.025 4.324 4.350 -0.001 0.000 0.269 100 T C 1.408 175.828 174.700 -0.466 0.000 1.146 100 T CA 0.617 62.391 62.100 -0.542 0.000 1.091 100 T CB -0.195 68.219 68.868 -0.757 0.000 0.892 100 T HN 0.492 nan 8.240 nan 0.000 0.533 101 K N 0.684 120.864 120.400 -0.367 0.000 2.147 101 K HA 0.011 4.330 4.320 -0.001 0.000 0.205 101 K C 0.013 176.293 176.600 -0.533 0.000 1.049 101 K CA 0.823 56.807 56.287 -0.506 0.000 0.936 101 K CB -0.289 31.822 32.500 -0.649 0.000 0.722 101 K HN 0.582 nan 8.250 nan 0.000 0.446 102 Y N 1.140 121.459 120.300 0.032 0.000 2.342 102 Y HA 0.268 4.817 4.550 -0.001 0.000 0.334 102 Y C 0.604 176.572 175.900 0.112 0.000 1.067 102 Y CA -0.929 57.230 58.100 0.097 0.000 1.128 102 Y CB 1.006 39.572 38.460 0.178 0.000 1.200 102 Y HN -0.086 nan 8.280 nan 0.000 0.464 103 N N 1.748 120.580 118.700 0.220 0.000 2.405 103 N HA 0.314 5.054 4.740 -0.001 0.000 0.285 103 N C -1.104 174.464 175.510 0.097 0.000 1.262 103 N CA -1.150 51.983 53.050 0.140 0.000 0.773 103 N CB 1.770 40.337 38.487 0.134 0.000 1.490 103 N HN 0.493 nan 8.380 nan 0.000 0.486 104 K N 0.315 120.708 120.400 -0.012 0.000 2.440 104 K HA -0.027 4.292 4.320 -0.001 0.000 0.270 104 K C -0.296 176.371 176.600 0.112 0.000 0.980 104 K CA 0.174 56.466 56.287 0.010 0.000 0.953 104 K CB 0.474 32.763 32.500 -0.352 0.000 0.925 104 K HN 0.407 nan 8.250 nan 0.000 0.497 105 D N 1.408 121.968 120.400 0.267 0.000 2.393 105 D HA 0.044 4.684 4.640 -0.001 0.000 0.232 105 D C 0.477 176.911 176.300 0.223 0.000 1.192 105 D CA 0.172 54.293 54.000 0.201 0.000 0.882 105 D CB 0.782 41.666 40.800 0.139 0.000 1.038 105 D HN 0.371 nan 8.370 nan 0.000 0.499 106 S N 3.342 119.124 115.700 0.136 0.000 2.399 106 S HA -0.274 4.195 4.470 -0.001 0.000 0.235 106 S C 1.686 176.353 174.600 0.111 0.000 1.063 106 S CA 1.487 59.759 58.200 0.121 0.000 1.070 106 S CB 0.067 63.314 63.200 0.078 0.000 0.904 106 S HN 0.588 nan 8.310 nan 0.000 0.456 107 K N 0.144 120.579 120.400 0.058 0.000 2.147 107 K HA 0.009 4.328 4.320 -0.001 0.000 0.205 107 K C 1.830 178.398 176.600 -0.054 0.000 1.049 107 K CA 1.067 57.360 56.287 0.009 0.000 0.936 107 K CB -0.167 32.326 32.500 -0.010 0.000 0.722 107 K HN 0.321 nan 8.250 nan 0.000 0.446 108 M N -0.638 118.880 119.600 -0.137 0.000 2.558 108 M HA -0.008 4.472 4.480 -0.001 0.000 0.255 108 M C 0.771 176.849 176.300 -0.371 0.000 1.113 108 M CA 1.312 56.377 55.300 -0.392 0.000 1.097 108 M CB -0.216 31.765 32.600 -1.033 0.000 1.426 108 M HN 0.111 nan 8.290 nan 0.000 0.488 109 Y N -0.700 119.542 120.300 -0.096 0.000 2.467 109 Y HA 0.240 4.789 4.550 -0.001 0.000 0.250 109 Y C 1.952 177.807 175.900 -0.076 0.000 1.155 109 Y CA -0.107 57.943 58.100 -0.083 0.000 1.249 109 Y CB 0.078 38.505 38.460 -0.055 0.000 1.146 109 Y HN 0.135 nan 8.280 nan 0.000 0.524 110 R N -0.041 120.488 120.500 0.047 0.000 2.189 110 R HA -0.062 4.278 4.340 -0.001 0.000 0.223 110 R C 2.146 178.441 176.300 -0.008 0.000 1.092 110 R CA 0.961 57.083 56.100 0.036 0.000 0.989 110 R CB -0.206 30.117 30.300 0.038 0.000 0.876 110 R HN 0.260 nan 8.270 nan 0.000 0.457 111 A N 0.759 123.529 122.820 -0.084 0.000 2.119 111 A HA -0.011 4.309 4.320 -0.001 0.000 0.217 111 A C 1.941 179.438 177.584 -0.145 0.000 1.153 111 A CA 0.835 52.782 52.037 -0.151 0.000 0.692 111 A CB -0.088 18.734 19.000 -0.297 0.000 0.799 111 A HN 0.172 nan 8.150 nan 0.000 0.458 112 L N -2.027 119.130 121.223 -0.111 0.000 2.388 112 L HA -0.022 4.317 4.340 -0.001 0.000 0.209 112 L C 2.584 179.540 176.870 0.142 0.000 1.061 112 L CA 0.400 55.187 54.840 -0.089 0.000 0.834 112 L CB -0.445 41.380 42.059 -0.391 0.000 1.029 112 L HN 0.354 nan 8.230 nan 0.000 0.473 113 Q N -0.217 119.645 119.800 0.104 0.000 2.096 113 Q HA -0.083 4.257 4.340 -0.001 0.000 0.204 113 Q C -0.078 175.998 176.000 0.127 0.000 0.982 113 Q CA 1.229 57.117 55.803 0.143 0.000 0.850 113 Q CB 0.043 28.844 28.738 0.105 0.000 0.901 113 Q HN 0.322 nan 8.270 nan 0.000 0.422 114 T N -0.251 114.352 114.554 0.082 0.000 2.952 114 T HA 0.512 4.861 4.350 -0.001 0.000 0.305 114 T C -1.324 173.387 174.700 0.019 0.000 1.064 114 T CA -0.622 61.515 62.100 0.061 0.000 1.008 114 T CB 2.385 71.289 68.868 0.060 0.000 1.078 114 T HN -0.203 nan 8.240 nan 0.000 0.459 115 V N 4.019 123.930 119.914 -0.005 0.000 2.483 115 V HA 0.418 4.538 4.120 -0.001 0.000 0.297 115 V C -0.519 175.561 176.094 -0.023 0.000 1.027 115 V CA -0.770 61.452 62.300 -0.131 0.000 0.855 115 V CB 0.885 32.564 31.823 -0.239 0.000 0.995 115 V HN 0.977 nan 8.190 nan 0.000 0.424 116 F N 3.291 123.263 119.950 0.038 0.000 3.067 116 F HA -0.200 4.326 4.527 -0.001 0.000 0.279 116 F C 1.524 177.340 175.800 0.027 0.000 0.945 116 F CA 1.356 59.374 58.000 0.030 0.000 0.948 116 F CB -1.698 37.318 39.000 0.027 0.000 0.898 116 F HN 1.077 nan 8.300 nan 0.000 0.746 117 G N -0.257 108.658 108.800 0.191 0.000 2.198 117 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.257 117 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.257 117 G C -0.105 174.851 174.900 0.094 0.000 1.042 117 G CA 0.268 45.439 45.100 0.119 0.000 0.791 117 G HN 0.446 nan 8.290 nan 0.000 0.502 118 E N -0.472 119.781 120.200 0.088 0.000 2.260 118 E HA 0.295 4.645 4.350 -0.001 0.000 0.266 118 E C 0.266 176.894 176.600 0.047 0.000 0.887 118 E CA -0.964 55.473 56.400 0.061 0.000 0.777 118 E CB 1.477 31.216 29.700 0.064 0.000 1.205 118 E HN 0.419 nan 8.360 nan 0.000 0.414 119 R N 2.671 123.194 120.500 0.039 0.000 2.538 119 R HA -0.001 4.338 4.340 -0.001 0.000 0.282 119 R C 0.294 176.612 176.300 0.030 0.000 1.009 119 R CA 0.236 56.361 56.100 0.042 0.000 1.063 119 R CB 0.307 30.627 30.300 0.034 0.000 0.945 119 R HN 0.381 nan 8.270 nan 0.000 0.414 120 L N 4.404 125.661 121.223 0.056 0.000 3.405 120 L HA 0.270 4.610 4.340 -0.001 0.000 0.176 120 L C 0.767 177.626 176.870 -0.018 0.000 1.340 120 L CA 0.797 55.645 54.840 0.013 0.000 0.975 120 L CB -0.349 41.760 42.059 0.083 0.000 1.509 120 L HN 0.676 nan 8.230 nan 0.000 0.646 121 F N 0.789 120.761 119.950 0.036 0.000 2.615 121 F HA 0.371 4.898 4.527 -0.001 0.000 0.297 121 F C 1.843 177.679 175.800 0.061 0.000 1.124 121 F CA 0.700 58.731 58.000 0.053 0.000 1.451 121 F CB -0.818 38.207 39.000 0.042 0.000 1.103 121 F HN 0.406 nan 8.300 nan 0.000 0.569 122 G N 0.221 109.149 108.800 0.214 0.000 2.651 122 G HA2 -0.338 3.621 3.960 -0.001 0.000 0.315 122 G HA3 -0.338 3.621 3.960 -0.001 0.000 0.315 122 G C 0.612 175.600 174.900 0.147 0.000 1.258 122 G CA 0.414 45.601 45.100 0.145 0.000 1.002 122 G HN 0.250 nan 8.290 nan 0.000 0.551 123 Q N 2.042 121.918 119.800 0.128 0.000 2.268 123 Q HA 0.390 4.729 4.340 -0.001 0.000 0.289 123 Q C 1.155 177.240 176.000 0.142 0.000 0.893 123 Q CA 0.563 56.439 55.803 0.121 0.000 1.057 123 Q CB 0.324 29.121 28.738 0.099 0.000 1.173 123 Q HN 0.833 nan 8.270 nan 0.000 0.449 124 G N 0.437 109.343 108.800 0.177 0.000 2.631 124 G HA2 0.090 4.050 3.960 -0.001 0.000 0.271 124 G HA3 0.090 4.050 3.960 -0.001 0.000 0.271 124 G C 0.905 175.921 174.900 0.193 0.000 1.302 124 G CA -0.492 44.729 45.100 0.203 0.000 1.002 124 G HN 0.346 nan 8.290 nan 0.000 0.519 125 L N -0.185 121.163 121.223 0.208 0.000 2.079 125 L HA -0.087 4.252 4.340 -0.001 0.000 0.210 125 L C 2.925 179.889 176.870 0.157 0.000 1.081 125 L CA 1.414 56.386 54.840 0.220 0.000 0.752 125 L CB -0.325 41.869 42.059 0.225 0.000 0.896 125 L HN 0.280 nan 8.230 nan 0.000 0.433 126 V N -1.010 118.935 119.914 0.051 0.000 2.283 126 V HA -0.200 3.919 4.120 -0.001 0.000 0.243 126 V C 2.446 178.464 176.094 -0.126 0.000 1.039 126 V CA 1.770 64.037 62.300 -0.054 0.000 1.016 126 V CB -0.782 30.987 31.823 -0.091 0.000 0.650 126 V HN 0.695 nan 8.190 nan 0.000 0.449 127 S N -0.508 115.171 115.700 -0.035 0.000 2.528 127 S HA 0.020 4.489 4.470 -0.001 0.000 0.219 127 S C 0.867 175.431 174.600 -0.060 0.000 0.985 127 S CA 0.118 58.284 58.200 -0.057 0.000 0.914 127 S CB -0.210 63.028 63.200 0.063 0.000 0.776 127 S HN 0.546 nan 8.310 nan 0.000 0.526 128 E N 0.860 121.065 120.200 0.010 0.000 2.366 128 E HA 0.217 4.566 4.350 -0.001 0.000 0.266 128 E C 0.144 176.725 176.600 -0.032 0.000 1.015 128 E CA -0.073 56.357 56.400 0.050 0.000 0.906 128 E CB 0.252 30.046 29.700 0.156 0.000 0.979 128 E HN 0.330 nan 8.360 nan 0.000 0.443 129 C N 4.011 123.296 119.300 -0.025 0.000 2.820 129 C HA 0.221 4.680 4.460 -0.001 0.000 0.323 129 C C 0.990 176.009 174.990 0.048 0.000 1.279 129 C CA -0.502 58.480 59.018 -0.060 0.000 1.790 129 C CB -0.794 26.912 27.740 -0.057 0.000 2.328 129 C HN 0.785 nan 8.230 nan 0.000 0.579 130 N N 0.828 119.589 118.700 0.101 0.000 2.452 130 N HA -0.063 4.676 4.740 -0.001 0.000 0.266 130 N C 0.566 176.219 175.510 0.238 0.000 1.209 130 N CA 0.185 53.325 53.050 0.151 0.000 0.929 130 N CB 0.428 38.990 38.487 0.126 0.000 1.063 130 N HN 0.539 nan 8.380 nan 0.000 0.472 131 Y N 4.804 125.195 120.300 0.153 0.000 2.014 131 Y HA -0.273 4.276 4.550 -0.001 0.000 0.270 131 Y C 1.879 177.979 175.900 0.334 0.000 1.145 131 Y CA 1.930 60.178 58.100 0.247 0.000 1.106 131 Y CB 0.030 38.564 38.460 0.124 0.000 0.968 131 Y HN 0.605 nan 8.280 nan 0.000 0.484 132 E N 0.441 120.799 120.200 0.262 0.000 2.114 132 E HA -0.270 4.080 4.350 -0.001 0.000 0.199 132 E C 2.266 178.914 176.600 0.081 0.000 1.008 132 E CA 1.754 58.239 56.400 0.143 0.000 0.810 132 E CB -0.465 29.339 29.700 0.172 0.000 0.739 132 E HN 0.584 nan 8.360 nan 0.000 0.456 133 R N -0.391 120.178 120.500 0.115 0.000 2.066 133 R HA -0.143 4.196 4.340 -0.001 0.000 0.232 133 R C 2.229 178.579 176.300 0.082 0.000 1.131 133 R CA 1.468 57.621 56.100 0.090 0.000 0.955 133 R CB -0.518 29.845 30.300 0.105 0.000 0.851 133 R HN 0.274 nan 8.270 nan 0.000 0.432 134 W N 1.141 122.422 121.300 -0.032 0.000 2.338 134 W HA -0.255 4.404 4.660 -0.001 0.000 0.304 134 W C 2.103 178.583 176.519 -0.065 0.000 1.212 134 W CA 2.013 59.334 57.345 -0.040 0.000 1.264 134 W CB -0.455 28.983 29.460 -0.038 0.000 1.142 134 W HN 0.191 nan 8.180 nan 0.000 0.512 135 H N 0.585 119.368 119.070 -0.479 0.000 2.423 135 H HA -0.115 4.440 4.556 -0.001 0.000 0.297 135 H C 2.115 177.124 175.328 -0.532 0.000 1.075 135 H CA 2.359 57.910 56.048 -0.828 0.000 1.342 135 H CB -0.295 29.086 29.762 -0.635 0.000 1.395 135 H HN 0.156 nan 8.280 nan 0.000 0.530 136 K N 0.413 120.618 120.400 -0.324 0.000 2.009 136 K HA -0.187 4.132 4.320 -0.001 0.000 0.210 136 K C 2.193 178.622 176.600 -0.285 0.000 1.049 136 K CA 2.072 58.207 56.287 -0.253 0.000 0.929 136 K CB -0.047 32.390 32.500 -0.105 0.000 0.714 136 K HN 0.521 nan 8.250 nan 0.000 0.440 137 Q N -0.377 119.261 119.800 -0.271 0.000 2.016 137 Q HA -0.169 4.170 4.340 -0.001 0.000 0.200 137 Q C 2.288 178.106 176.000 -0.303 0.000 0.978 137 Q CA 1.463 57.140 55.803 -0.210 0.000 0.833 137 Q CB -0.328 28.344 28.738 -0.109 0.000 0.895 137 Q HN 0.145 nan 8.270 nan 0.000 0.427 138 R N 1.648 121.797 120.500 -0.586 0.000 2.115 138 R HA -0.187 4.152 4.340 -0.001 0.000 0.239 138 R C 2.182 178.259 176.300 -0.371 0.000 1.133 138 R CA 2.084 57.843 56.100 -0.569 0.000 0.935 138 R CB -0.449 29.176 30.300 -1.124 0.000 0.853 138 R HN 0.182 nan 8.270 nan 0.000 0.433 139 R N -0.393 119.811 120.500 -0.493 0.000 2.103 139 R HA -0.147 4.193 4.340 -0.001 0.000 0.242 139 R C 1.999 178.187 176.300 -0.185 0.000 1.142 139 R CA 2.104 57.998 56.100 -0.344 0.000 0.960 139 R CB -0.303 29.721 30.300 -0.458 0.000 0.858 139 R HN 0.243 nan 8.270 nan 0.000 0.439 140 V N 0.923 120.734 119.914 -0.172 0.000 2.283 140 V HA -0.222 3.897 4.120 -0.001 0.000 0.243 140 V C 2.317 178.383 176.094 -0.047 0.000 1.039 140 V CA 1.831 64.075 62.300 -0.094 0.000 1.016 140 V CB -0.351 31.423 31.823 -0.083 0.000 0.650 140 V HN 0.313 nan 8.190 nan 0.000 0.449 141 I N 0.270 120.821 120.570 -0.031 0.000 2.454 141 I HA -0.222 3.948 4.170 -0.001 0.000 0.254 141 I C 2.139 178.351 176.117 0.157 0.000 1.156 141 I CA 1.280 62.610 61.300 0.050 0.000 1.433 141 I CB -0.502 37.560 38.000 0.104 0.000 1.082 141 I HN 0.291 nan 8.210 nan 0.000 0.432 142 D N 0.937 121.394 120.400 0.094 0.000 2.190 142 D HA -0.175 4.464 4.640 -0.001 0.000 0.200 142 D C 2.256 178.655 176.300 0.165 0.000 0.992 142 D CA 1.190 55.274 54.000 0.141 0.000 0.854 142 D CB -0.166 40.654 40.800 0.033 0.000 0.936 142 D HN 0.305 nan 8.370 nan 0.000 0.462 143 L N -0.058 121.210 121.223 0.074 0.000 2.131 143 L HA -0.095 4.244 4.340 -0.001 0.000 0.210 143 L C 2.298 179.173 176.870 0.007 0.000 1.092 143 L CA 0.983 55.842 54.840 0.031 0.000 0.759 143 L CB -0.550 41.504 42.059 -0.009 0.000 0.903 143 L HN -0.002 nan 8.230 nan 0.000 0.435 144 A N -0.703 122.104 122.820 -0.021 0.000 2.216 144 A HA -0.089 4.230 4.320 -0.001 0.000 0.214 144 A C 1.349 178.695 177.584 -0.397 0.000 1.160 144 A CA 1.060 52.964 52.037 -0.222 0.000 0.725 144 A CB -0.521 18.273 19.000 -0.343 0.000 0.784 144 A HN 0.416 nan 8.150 nan 0.000 0.472 145 F N 0.094 120.064 119.950 0.034 0.000 2.764 145 F HA 0.163 4.689 4.527 -0.001 0.000 0.310 145 F C 1.237 177.071 175.800 0.057 0.000 1.124 145 F CA -0.039 58.009 58.000 0.081 0.000 1.252 145 F CB 0.143 39.208 39.000 0.109 0.000 1.010 145 F HN 0.150 nan 8.300 nan 0.000 0.518 146 S N -0.338 115.431 115.700 0.116 0.000 2.589 146 S HA 0.091 4.560 4.470 -0.001 0.000 0.265 146 S C 1.591 176.214 174.600 0.038 0.000 1.342 146 S CA -0.591 57.649 58.200 0.067 0.000 1.005 146 S CB 1.138 64.347 63.200 0.015 0.000 0.909 146 S HN 0.359 nan 8.310 nan 0.000 0.555 147 R N 1.644 122.150 120.500 0.011 0.000 2.103 147 R HA -0.145 4.194 4.340 -0.001 0.000 0.242 147 R C 2.405 178.623 176.300 -0.137 0.000 1.142 147 R CA 2.482 58.551 56.100 -0.052 0.000 0.960 147 R CB -1.479 28.778 30.300 -0.071 0.000 0.858 147 R HN 0.888 nan 8.270 nan 0.000 0.439 148 S N -1.139 114.494 115.700 -0.112 0.000 2.428 148 S HA -0.040 4.429 4.470 -0.001 0.000 0.230 148 S C 1.968 176.496 174.600 -0.120 0.000 1.014 148 S CA 1.048 59.170 58.200 -0.130 0.000 0.957 148 S CB -0.239 62.904 63.200 -0.096 0.000 0.784 148 S HN 0.339 nan 8.310 nan 0.000 0.499 149 S N 2.413 118.056 115.700 -0.095 0.000 2.368 149 S HA 0.161 4.631 4.470 -0.001 0.000 0.224 149 S C 1.833 176.354 174.600 -0.132 0.000 1.029 149 S CA 1.144 59.276 58.200 -0.115 0.000 0.988 149 S CB -0.561 62.565 63.200 -0.123 0.000 0.838 149 S HN 0.435 nan 8.310 nan 0.000 0.462 150 L N 1.239 122.413 121.223 -0.081 0.000 2.056 150 L HA -0.056 4.283 4.340 -0.001 0.000 0.207 150 L C 2.369 179.175 176.870 -0.108 0.000 1.078 150 L CA 0.825 55.633 54.840 -0.053 0.000 0.749 150 L CB -0.849 41.278 42.059 0.114 0.000 0.901 150 L HN 0.190 nan 8.230 nan 0.000 0.433 151 V N -0.432 119.390 119.914 -0.152 0.000 2.380 151 V HA -0.303 3.817 4.120 -0.001 0.000 0.251 151 V C 2.442 178.458 176.094 -0.129 0.000 1.063 151 V CA 2.101 64.299 62.300 -0.171 0.000 1.055 151 V CB -0.530 31.092 31.823 -0.336 0.000 0.657 151 V HN 0.410 nan 8.190 nan 0.000 0.455 152 S N -0.317 115.288 115.700 -0.158 0.000 2.547 152 S HA 0.073 4.542 4.470 -0.001 0.000 0.235 152 S C 1.564 176.031 174.600 -0.222 0.000 0.980 152 S CA 0.873 58.982 58.200 -0.152 0.000 0.941 152 S CB -0.185 62.932 63.200 -0.138 0.000 0.763 152 S HN 0.527 nan 8.310 nan 0.000 0.532 153 L N 0.131 121.136 121.223 -0.364 0.000 2.554 153 L HA 0.199 4.539 4.340 -0.001 0.000 0.225 153 L C 1.968 178.322 176.870 -0.861 0.000 1.104 153 L CA 0.012 54.448 54.840 -0.674 0.000 0.866 153 L CB -0.325 41.124 42.059 -1.017 0.000 1.047 153 L HN 0.265 nan 8.230 nan 0.000 0.468 154 M N 0.212 119.536 119.600 -0.460 0.000 2.195 154 M HA -0.244 4.235 4.480 -0.001 0.000 0.260 154 M C 2.090 178.315 176.300 -0.126 0.000 1.066 154 M CA 1.642 56.807 55.300 -0.225 0.000 1.089 154 M CB -0.701 31.907 32.600 0.013 0.000 1.377 154 M HN 0.250 nan 8.290 nan 0.000 0.411 155 E N -0.105 120.079 120.200 -0.028 0.000 2.051 155 E HA -0.125 4.224 4.350 -0.001 0.000 0.192 155 E C 1.791 178.406 176.600 0.025 0.000 0.991 155 E CA 2.110 58.579 56.400 0.115 0.000 0.799 155 E CB -0.032 29.717 29.700 0.080 0.000 0.748 155 E HN 0.409 nan 8.360 nan 0.000 0.449 156 T N 0.539 115.038 114.554 -0.093 0.000 2.684 156 T HA -0.142 4.207 4.350 -0.001 0.000 0.267 156 T C 1.381 176.147 174.700 0.110 0.000 1.036 156 T CA 1.368 63.449 62.100 -0.031 0.000 1.148 156 T CB -0.422 68.385 68.868 -0.101 0.000 0.863 156 T HN 0.124 nan 8.240 nan 0.000 0.436 157 F N 2.208 122.115 119.950 -0.073 0.000 2.126 157 F HA -0.064 4.462 4.527 -0.001 0.000 0.299 157 F C 2.434 178.182 175.800 -0.086 0.000 1.096 157 F CA 0.171 58.117 58.000 -0.090 0.000 1.255 157 F CB -1.216 37.703 39.000 -0.136 0.000 0.997 157 F HN 0.193 nan 8.300 nan 0.000 0.479 158 N N 0.134 118.871 118.700 0.062 0.000 2.142 158 N HA -0.170 4.570 4.740 -0.001 0.000 0.186 158 N C 1.978 177.513 175.510 0.041 0.000 1.023 158 N CA 1.027 54.045 53.050 -0.054 0.000 0.852 158 N CB -0.328 37.971 38.487 -0.313 0.000 0.998 158 N HN 0.427 nan 8.380 nan 0.000 0.424 159 E N 0.922 121.170 120.200 0.081 0.000 2.031 159 E HA -0.144 4.205 4.350 -0.001 0.000 0.193 159 E C 1.549 178.194 176.600 0.076 0.000 0.994 159 E CA 1.028 57.478 56.400 0.084 0.000 0.800 159 E CB 0.242 29.991 29.700 0.080 0.000 0.752 159 E HN 0.101 nan 8.360 nan 0.000 0.447 160 K N 0.192 120.646 120.400 0.089 0.000 2.057 160 K HA -0.086 4.233 4.320 -0.001 0.000 0.207 160 K C 2.018 178.661 176.600 0.072 0.000 1.049 160 K CA 1.081 57.420 56.287 0.087 0.000 0.931 160 K CB -0.554 32.012 32.500 0.109 0.000 0.714 160 K HN 0.156 nan 8.250 nan 0.000 0.440 161 A N 1.502 124.359 122.820 0.061 0.000 1.933 161 A HA -0.209 4.110 4.320 -0.001 0.000 0.218 161 A C 2.218 179.829 177.584 0.045 0.000 1.175 161 A CA 1.984 54.046 52.037 0.041 0.000 0.628 161 A CB -0.320 18.690 19.000 0.015 0.000 0.814 161 A HN 0.362 nan 8.150 nan 0.000 0.444 162 E N -0.209 120.019 120.200 0.047 0.000 2.076 162 E HA -0.168 4.181 4.350 -0.001 0.000 0.190 162 E C 2.109 178.739 176.600 0.049 0.000 0.979 162 E CA 1.565 57.993 56.400 0.047 0.000 0.807 162 E CB -0.424 29.309 29.700 0.055 0.000 0.761 162 E HN 0.662 nan 8.360 nan 0.000 0.454 163 Q N -0.349 119.483 119.800 0.053 0.000 2.061 163 Q HA -0.191 4.148 4.340 -0.001 0.000 0.204 163 Q C 2.209 178.242 176.000 0.055 0.000 0.984 163 Q CA 1.789 57.623 55.803 0.051 0.000 0.846 163 Q CB -0.305 28.464 28.738 0.053 0.000 0.902 163 Q HN 0.387 nan 8.270 nan 0.000 0.421 164 L N -0.076 121.186 121.223 0.065 0.000 1.990 164 L HA -0.199 4.141 4.340 -0.001 0.000 0.213 164 L C 2.153 179.065 176.870 0.071 0.000 1.072 164 L CA 1.719 56.605 54.840 0.076 0.000 0.755 164 L CB -0.733 41.373 42.059 0.080 0.000 0.889 164 L HN 0.107 nan 8.230 nan 0.000 0.432 165 V N -0.241 119.710 119.914 0.061 0.000 2.407 165 V HA -0.273 3.847 4.120 -0.001 0.000 0.248 165 V C 2.522 178.636 176.094 0.033 0.000 1.055 165 V CA 2.031 64.363 62.300 0.053 0.000 1.049 165 V CB -0.671 31.181 31.823 0.048 0.000 0.662 165 V HN 0.529 nan 8.190 nan 0.000 0.455 166 E N -0.015 120.205 120.200 0.033 0.000 2.051 166 E HA -0.186 4.163 4.350 -0.001 0.000 0.192 166 E C 2.187 178.800 176.600 0.021 0.000 0.991 166 E CA 1.517 57.931 56.400 0.023 0.000 0.799 166 E CB -0.223 29.492 29.700 0.025 0.000 0.748 166 E HN 0.555 nan 8.360 nan 0.000 0.449 167 I N 1.189 121.778 120.570 0.032 0.000 2.118 167 I HA -0.336 3.833 4.170 -0.001 0.000 0.241 167 I C 2.411 178.546 176.117 0.030 0.000 1.070 167 I CA 1.267 62.587 61.300 0.033 0.000 1.327 167 I CB -0.396 37.633 38.000 0.049 0.000 1.034 167 I HN 0.108 nan 8.210 nan 0.000 0.405 168 L N 0.149 121.394 121.223 0.037 0.000 2.042 168 L HA -0.224 4.115 4.340 -0.001 0.000 0.210 168 L C 2.474 179.329 176.870 -0.025 0.000 1.076 168 L CA 1.512 56.362 54.840 0.017 0.000 0.749 168 L CB -0.697 41.386 42.059 0.040 0.000 0.893 168 L HN 0.258 nan 8.230 nan 0.000 0.432 169 E N 0.093 120.280 120.200 -0.022 0.000 2.204 169 E HA -0.197 4.152 4.350 -0.001 0.000 0.195 169 E C 2.267 178.852 176.600 -0.025 0.000 0.990 169 E CA 0.944 57.323 56.400 -0.035 0.000 0.821 169 E CB -0.106 29.582 29.700 -0.021 0.000 0.750 169 E HN 0.506 nan 8.360 nan 0.000 0.477 170 A N 1.068 123.882 122.820 -0.011 0.000 2.015 170 A HA -0.151 4.168 4.320 -0.001 0.000 0.219 170 A C 1.696 179.274 177.584 -0.010 0.000 1.163 170 A CA 1.141 53.174 52.037 -0.006 0.000 0.646 170 A CB -0.029 18.972 19.000 0.003 0.000 0.806 170 A HN 0.026 nan 8.150 nan 0.000 0.448 171 K N -0.405 119.987 120.400 -0.013 0.000 2.372 171 K HA 0.329 4.648 4.320 -0.001 0.000 0.200 171 K C 0.500 177.080 176.600 -0.034 0.000 1.022 171 K CA 0.365 56.643 56.287 -0.015 0.000 1.125 171 K CB 0.435 32.933 32.500 -0.002 0.000 0.855 171 K HN 0.301 nan 8.250 nan 0.000 0.524 172 A N 2.336 125.127 122.820 -0.049 0.000 3.074 172 A HA 0.023 4.342 4.320 -0.001 0.000 0.251 172 A C 0.228 177.777 177.584 -0.058 0.000 1.695 172 A CA -0.108 51.883 52.037 -0.075 0.000 1.343 172 A CB -0.606 18.335 19.000 -0.098 0.000 1.078 172 A HN 0.316 nan 8.150 nan 0.000 0.644 173 D N -1.424 118.950 120.400 -0.043 0.000 2.392 173 D HA 0.271 4.911 4.640 -0.001 0.000 0.206 173 D C 1.163 177.444 176.300 -0.031 0.000 1.046 173 D CA 0.765 54.746 54.000 -0.031 0.000 0.865 173 D CB -0.069 40.719 40.800 -0.021 0.000 0.969 173 D HN 0.724 nan 8.370 nan 0.000 0.509 174 G N 0.609 109.387 108.800 -0.037 0.000 2.141 174 G HA2 -0.313 3.646 3.960 -0.001 0.000 0.231 174 G HA3 -0.313 3.646 3.960 -0.001 0.000 0.231 174 G C 0.669 175.558 174.900 -0.018 0.000 0.984 174 G CA 0.528 45.609 45.100 -0.031 0.000 0.660 174 G HN 0.591 nan 8.290 nan 0.000 0.525 175 Q N -1.655 118.136 119.800 -0.016 0.000 2.043 175 Q HA 0.252 4.592 4.340 -0.001 0.000 0.219 175 Q C 0.122 176.118 176.000 -0.006 0.000 0.762 175 Q CA 0.405 56.203 55.803 -0.009 0.000 0.943 175 Q CB 0.279 29.013 28.738 -0.007 0.000 1.194 175 Q HN 0.280 nan 8.270 nan 0.000 0.447 176 T N 5.160 119.709 114.554 -0.008 0.000 2.723 176 T HA 0.325 4.675 4.350 -0.001 0.000 0.297 176 T C -2.560 172.141 174.700 0.001 0.000 0.925 176 T CA -1.221 60.877 62.100 -0.003 0.000 1.030 176 T CB 0.948 69.814 68.868 -0.004 0.000 0.905 176 T HN 0.131 nan 8.240 nan 0.000 0.502 177 P HA 0.289 nan 4.420 nan 0.000 0.271 177 P C -0.913 176.395 177.300 0.014 0.000 1.220 177 P CA -0.279 62.825 63.100 0.006 0.000 0.768 177 P CB 0.738 32.438 31.700 0.000 0.000 0.848 178 V N 2.472 122.400 119.914 0.023 0.000 2.577 178 V HA 0.230 4.349 4.120 -0.001 0.000 0.303 178 V C 0.430 176.538 176.094 0.023 0.000 1.042 178 V CA -0.673 61.649 62.300 0.036 0.000 0.872 178 V CB 1.909 33.767 31.823 0.058 0.000 0.998 178 V HN 0.593 nan 8.190 nan 0.000 0.423 179 S N 5.305 121.008 115.700 0.006 0.000 2.430 179 S HA 0.212 4.681 4.470 -0.001 0.000 0.282 179 S C 1.173 175.745 174.600 -0.048 0.000 1.186 179 S CA -0.544 57.635 58.200 -0.036 0.000 1.060 179 S CB 0.272 63.441 63.200 -0.052 0.000 0.966 179 S HN 0.597 nan 8.310 nan 0.000 0.501 180 M N 3.967 123.527 119.600 -0.067 0.000 2.349 180 M HA -0.029 4.451 4.480 -0.001 0.000 0.266 180 M C 2.051 178.261 176.300 -0.151 0.000 1.076 180 M CA 1.102 56.349 55.300 -0.088 0.000 1.126 180 M CB -1.314 31.209 32.600 -0.128 0.000 1.392 180 M HN 0.859 nan 8.290 nan 0.000 0.440 181 Q N 1.016 120.709 119.800 -0.179 0.000 2.084 181 Q HA -0.186 4.153 4.340 -0.001 0.000 0.202 181 Q C 1.279 177.130 176.000 -0.248 0.000 0.978 181 Q CA 2.028 57.703 55.803 -0.213 0.000 0.844 181 Q CB 0.093 28.701 28.738 -0.216 0.000 0.898 181 Q HN 0.347 nan 8.270 nan 0.000 0.426 182 D N -0.611 119.624 120.400 -0.274 0.000 2.117 182 D HA -0.130 4.510 4.640 -0.001 0.000 0.198 182 D C 1.766 177.634 176.300 -0.720 0.000 0.982 182 D CA 1.044 54.734 54.000 -0.516 0.000 0.828 182 D CB -0.085 40.494 40.800 -0.367 0.000 0.967 182 D HN 0.291 nan 8.370 nan 0.000 0.464 183 M N 0.171 119.603 119.600 -0.279 0.000 2.067 183 M HA -0.060 4.420 4.480 -0.001 0.000 0.260 183 M C 2.413 178.678 176.300 -0.058 0.000 1.069 183 M CA 1.061 56.337 55.300 -0.039 0.000 1.117 183 M CB -1.087 31.551 32.600 0.063 0.000 1.334 183 M HN 0.047 nan 8.290 nan 0.000 0.407 184 L N -0.828 120.333 121.223 -0.103 0.000 2.083 184 L HA -0.199 4.140 4.340 -0.001 0.000 0.209 184 L C 2.397 179.229 176.870 -0.064 0.000 1.083 184 L CA 1.195 55.991 54.840 -0.073 0.000 0.752 184 L CB -1.193 40.803 42.059 -0.105 0.000 0.899 184 L HN 0.312 nan 8.230 nan 0.000 0.433 185 T N -1.072 113.390 114.554 -0.153 0.000 2.665 185 T HA -0.233 4.116 4.350 -0.001 0.000 0.268 185 T C 1.746 176.461 174.700 0.025 0.000 1.035 185 T CA 1.694 63.742 62.100 -0.086 0.000 1.151 185 T CB -0.388 68.373 68.868 -0.178 0.000 0.862 185 T HN 0.183 nan 8.240 nan 0.000 0.438 186 Y N 1.922 122.251 120.300 0.048 0.000 2.165 186 Y HA -0.126 4.424 4.550 -0.001 0.000 0.286 186 Y C 2.992 178.915 175.900 0.038 0.000 1.155 186 Y CA 0.632 58.754 58.100 0.038 0.000 1.164 186 Y CB -1.687 36.796 38.460 0.038 0.000 0.978 186 Y HN 0.221 nan 8.280 nan 0.000 0.513 187 T N -0.016 114.656 114.554 0.195 0.000 2.708 187 T HA -0.183 4.166 4.350 -0.001 0.000 0.266 187 T C 2.261 177.031 174.700 0.116 0.000 1.037 187 T CA 1.532 63.711 62.100 0.132 0.000 1.146 187 T CB -0.714 68.207 68.868 0.087 0.000 0.865 187 T HN 0.409 nan 8.240 nan 0.000 0.435 188 A N 1.035 123.922 122.820 0.111 0.000 1.972 188 A HA -0.024 4.295 4.320 -0.001 0.000 0.219 188 A C 2.250 179.920 177.584 0.142 0.000 1.169 188 A CA 1.782 53.904 52.037 0.141 0.000 0.635 188 A CB -0.613 18.482 19.000 0.159 0.000 0.810 188 A HN 0.443 nan 8.150 nan 0.000 0.446 189 M N -0.075 119.554 119.600 0.049 0.000 2.123 189 M HA -0.069 4.410 4.480 -0.001 0.000 0.263 189 M C 1.246 177.538 176.300 -0.014 0.000 1.069 189 M CA 2.070 57.259 55.300 -0.186 0.000 1.133 189 M CB -0.363 32.026 32.600 -0.350 0.000 1.356 189 M HN 0.297 nan 8.290 nan 0.000 0.415 190 D N 0.396 120.843 120.400 0.077 0.000 2.104 190 D HA -0.174 4.465 4.640 -0.001 0.000 0.194 190 D C 2.053 178.434 176.300 0.135 0.000 0.994 190 D CA 1.847 55.914 54.000 0.112 0.000 0.830 190 D CB -0.483 40.384 40.800 0.111 0.000 0.959 190 D HN 0.457 nan 8.370 nan 0.000 0.452 191 I N 0.664 121.329 120.570 0.159 0.000 2.118 191 I HA -0.244 3.925 4.170 -0.001 0.000 0.241 191 I C 2.450 178.734 176.117 0.280 0.000 1.070 191 I CA 0.726 62.166 61.300 0.233 0.000 1.327 191 I CB -0.170 37.986 38.000 0.259 0.000 1.034 191 I HN 0.104 nan 8.210 nan 0.000 0.405 192 L N 1.003 122.379 121.223 0.255 0.000 2.027 192 L HA -0.174 4.165 4.340 -0.001 0.000 0.206 192 L C 2.703 179.687 176.870 0.191 0.000 1.074 192 L CA 2.408 57.398 54.840 0.250 0.000 0.745 192 L CB -1.149 40.992 42.059 0.136 0.000 0.898 192 L HN 0.257 nan 8.230 nan 0.000 0.433 193 A N 0.079 123.034 122.820 0.224 0.000 1.908 193 A HA -0.276 4.043 4.320 -0.001 0.000 0.218 193 A C 2.302 180.032 177.584 0.243 0.000 1.181 193 A CA 2.117 54.409 52.037 0.425 0.000 0.627 193 A CB -0.470 18.813 19.000 0.472 0.000 0.818 193 A HN 0.435 nan 8.150 nan 0.000 0.445 194 K N -0.014 120.469 120.400 0.138 0.000 2.007 194 K HA 0.122 4.442 4.320 -0.001 0.000 0.206 194 K C 2.082 178.707 176.600 0.041 0.000 1.047 194 K CA 1.625 57.949 56.287 0.061 0.000 0.937 194 K CB -0.705 31.825 32.500 0.050 0.000 0.718 194 K HN 0.282 nan 8.250 nan 0.000 0.438 195 A N 0.340 123.206 122.820 0.077 0.000 1.902 195 A HA -0.047 4.273 4.320 -0.001 0.000 0.217 195 A C 2.328 179.901 177.584 -0.018 0.000 1.181 195 A CA 2.257 54.322 52.037 0.045 0.000 0.623 195 A CB -0.967 18.136 19.000 0.171 0.000 0.818 195 A HN 0.432 nan 8.150 nan 0.000 0.443 196 A N -1.898 120.859 122.820 -0.106 0.000 1.911 196 A HA 0.345 4.664 4.320 -0.001 0.000 0.212 196 A C 1.634 178.911 177.584 -0.511 0.000 1.189 196 A CA 1.086 52.847 52.037 -0.459 0.000 0.639 196 A CB -0.285 18.203 19.000 -0.853 0.000 0.839 196 A HN 0.498 nan 8.150 nan 0.000 0.449 197 F N -1.424 118.603 119.950 0.129 0.000 2.706 197 F HA 0.398 4.925 4.527 -0.001 0.000 0.308 197 F C 1.674 177.469 175.800 -0.009 0.000 1.095 197 F CA 0.425 58.510 58.000 0.141 0.000 1.244 197 F CB 0.650 39.891 39.000 0.401 0.000 1.063 197 F HN 0.336 nan 8.300 nan 0.000 0.582 198 G N 0.823 109.666 108.800 0.071 0.000 2.143 198 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.248 198 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.248 198 G C 0.028 174.856 174.900 -0.120 0.000 0.991 198 G CA -0.113 44.971 45.100 -0.025 0.000 0.689 198 G HN 0.086 nan 8.290 nan 0.000 0.522 199 M N 0.417 119.898 119.600 -0.198 0.000 2.456 199 M HA 0.464 4.943 4.480 -0.001 0.000 0.324 199 M C -0.217 175.953 176.300 -0.215 0.000 1.124 199 M CA -0.874 54.164 55.300 -0.437 0.000 0.959 199 M CB 1.660 33.474 32.600 -1.309 0.000 1.692 199 M HN 0.037 nan 8.290 nan 0.000 0.444 200 E N 1.994 122.106 120.200 -0.147 0.000 2.081 200 E HA 0.251 4.600 4.350 -0.001 0.000 0.276 200 E C 0.721 177.354 176.600 0.056 0.000 0.950 200 E CA 0.029 56.418 56.400 -0.019 0.000 0.776 200 E CB 1.191 30.883 29.700 -0.013 0.000 1.094 200 E HN 0.729 nan 8.360 nan 0.000 0.402 201 T N -1.753 112.883 114.554 0.138 0.000 3.035 201 T HA -0.053 4.296 4.350 -0.001 0.000 0.259 201 T C 0.917 175.694 174.700 0.128 0.000 1.078 201 T CA 0.100 62.329 62.100 0.214 0.000 1.132 201 T CB 0.013 69.060 68.868 0.299 0.000 0.900 201 T HN 0.319 nan 8.240 nan 0.000 0.480 202 S N 0.999 116.750 115.700 0.084 0.000 3.581 202 S HA -0.201 4.268 4.470 -0.001 0.000 0.354 202 S C 0.969 175.568 174.600 -0.001 0.000 1.059 202 S CA 0.855 59.080 58.200 0.042 0.000 1.060 202 S CB -2.159 61.059 63.200 0.032 0.000 0.908 202 S HN 0.605 nan 8.310 nan 0.000 0.475 203 M N -0.270 119.328 119.600 -0.003 0.000 2.175 203 M HA -0.066 4.413 4.480 -0.001 0.000 0.264 203 M C 2.036 178.148 176.300 -0.314 0.000 1.063 203 M CA 1.568 56.781 55.300 -0.145 0.000 1.119 203 M CB -0.388 32.194 32.600 -0.030 0.000 1.377 203 M HN 0.476 nan 8.290 nan 0.000 0.415 204 L N 0.131 121.292 121.223 -0.102 0.000 2.129 204 L HA -0.203 4.136 4.340 -0.001 0.000 0.212 204 L C 1.777 178.592 176.870 -0.090 0.000 1.087 204 L CA 1.034 55.838 54.840 -0.060 0.000 0.757 204 L CB -0.555 41.533 42.059 0.049 0.000 0.896 204 L HN 0.367 nan 8.230 nan 0.000 0.434 205 L N -0.678 120.499 121.223 -0.076 0.000 2.653 205 L HA 0.250 4.589 4.340 -0.001 0.000 0.232 205 L C 1.373 178.198 176.870 -0.075 0.000 1.169 205 L CA 0.397 55.206 54.840 -0.053 0.000 0.951 205 L CB -0.236 41.812 42.059 -0.018 0.000 1.181 205 L HN 0.408 nan 8.230 nan 0.000 0.460 206 G N 0.005 108.717 108.800 -0.146 0.000 2.176 206 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.253 206 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.253 206 G C 0.406 175.249 174.900 -0.095 0.000 0.979 206 G CA 0.050 45.066 45.100 -0.140 0.000 0.641 206 G HN 0.521 nan 8.290 nan 0.000 0.530 207 A N -0.648 122.130 122.820 -0.070 0.000 2.272 207 A HA 0.671 4.990 4.320 -0.001 0.000 0.275 207 A C 1.293 178.887 177.584 0.017 0.000 1.096 207 A CA 1.092 53.124 52.037 -0.009 0.000 0.822 207 A CB 0.206 19.218 19.000 0.020 0.000 1.088 207 A HN 1.193 nan 8.150 nan 0.000 0.495 208 Q N -0.888 118.954 119.800 0.070 0.000 2.475 208 Q HA -0.172 4.168 4.340 -0.001 0.000 0.280 208 Q C 0.815 176.879 176.000 0.106 0.000 1.234 208 Q CA 0.953 56.832 55.803 0.127 0.000 0.873 208 Q CB -1.313 27.536 28.738 0.185 0.000 1.256 208 Q HN 0.829 nan 8.270 nan 0.000 0.475 209 K N -0.559 119.875 120.400 0.057 0.000 2.074 209 K HA -0.118 4.202 4.320 -0.001 0.000 0.209 209 K C -0.633 175.984 176.600 0.029 0.000 1.048 209 K CA 1.650 57.961 56.287 0.040 0.000 0.926 209 K CB -0.849 31.660 32.500 0.016 0.000 0.713 209 K HN 0.304 nan 8.250 nan 0.000 0.444 210 P HA -0.161 nan 4.420 nan 0.000 0.214 210 P C 1.608 178.833 177.300 -0.126 0.000 1.163 210 P CA 0.775 63.789 63.100 -0.142 0.000 0.883 210 P CB -0.040 31.542 31.700 -0.195 0.000 0.788 211 L N -0.402 120.909 121.223 0.146 0.000 2.013 211 L HA -0.195 4.144 4.340 -0.001 0.000 0.212 211 L C 2.461 179.465 176.870 0.223 0.000 1.073 211 L CA 2.211 57.251 54.840 0.334 0.000 0.753 211 L CB -1.670 40.624 42.059 0.391 0.000 0.890 211 L HN -0.059 nan 8.230 nan 0.000 0.432 212 S N -1.379 114.431 115.700 0.184 0.000 2.356 212 S HA -0.296 4.173 4.470 -0.001 0.000 0.223 212 S C 2.054 176.736 174.600 0.137 0.000 1.032 212 S CA 1.586 59.901 58.200 0.191 0.000 1.005 212 S CB -0.376 62.950 63.200 0.210 0.000 0.867 212 S HN 0.665 nan 8.310 nan 0.000 0.449 213 Q N 1.028 120.869 119.800 0.069 0.000 2.124 213 Q HA 0.076 4.415 4.340 -0.001 0.000 0.202 213 Q C 2.041 178.048 176.000 0.012 0.000 0.977 213 Q CA 1.876 57.693 55.803 0.024 0.000 0.850 213 Q CB -0.842 27.880 28.738 -0.027 0.000 0.901 213 Q HN 0.606 nan 8.270 nan 0.000 0.429 214 A N -0.630 122.183 122.820 -0.012 0.000 1.883 214 A HA -0.160 4.159 4.320 -0.001 0.000 0.217 214 A C 2.250 179.893 177.584 0.099 0.000 1.186 214 A CA 1.794 53.842 52.037 0.018 0.000 0.624 214 A CB -0.895 18.145 19.000 0.067 0.000 0.822 214 A HN 0.280 nan 8.150 nan 0.000 0.444 215 V N 0.288 120.300 119.914 0.162 0.000 2.358 215 V HA -0.269 3.850 4.120 -0.001 0.000 0.246 215 V C 2.499 178.677 176.094 0.139 0.000 1.047 215 V CA 2.338 64.758 62.300 0.200 0.000 1.035 215 V CB -0.739 31.271 31.823 0.312 0.000 0.658 215 V HN 0.711 nan 8.190 nan 0.000 0.452 216 K N 0.215 120.682 120.400 0.112 0.000 2.001 216 K HA -0.218 4.101 4.320 -0.001 0.000 0.214 216 K C 2.146 178.782 176.600 0.060 0.000 1.050 216 K CA 1.965 58.297 56.287 0.075 0.000 0.934 216 K CB -0.316 32.220 32.500 0.059 0.000 0.718 216 K HN 0.390 nan 8.250 nan 0.000 0.443 217 L N 0.753 122.009 121.223 0.055 0.000 2.046 217 L HA -0.191 4.149 4.340 -0.001 0.000 0.208 217 L C 2.847 179.752 176.870 0.059 0.000 1.077 217 L CA 0.994 55.867 54.840 0.054 0.000 0.747 217 L CB -0.484 41.601 42.059 0.043 0.000 0.896 217 L HN 0.455 nan 8.230 nan 0.000 0.432 218 M N 0.390 120.027 119.600 0.061 0.000 2.080 218 M HA -0.216 4.264 4.480 -0.001 0.000 0.260 218 M C 2.277 178.599 176.300 0.037 0.000 1.068 218 M CA 2.043 57.373 55.300 0.049 0.000 1.109 218 M CB -0.518 32.121 32.600 0.064 0.000 1.342 218 M HN 0.224 nan 8.290 nan 0.000 0.405 219 L N -0.064 121.192 121.223 0.056 0.000 2.046 219 L HA -0.214 4.125 4.340 -0.001 0.000 0.208 219 L C 2.298 179.175 176.870 0.011 0.000 1.077 219 L CA 1.446 56.310 54.840 0.039 0.000 0.747 219 L CB -0.809 41.276 42.059 0.044 0.000 0.896 219 L HN 0.344 nan 8.230 nan 0.000 0.432 220 E N 0.192 120.408 120.200 0.026 0.000 2.110 220 E HA -0.175 4.174 4.350 -0.001 0.000 0.193 220 E C 2.262 178.879 176.600 0.029 0.000 0.988 220 E CA 1.011 57.432 56.400 0.034 0.000 0.804 220 E CB -0.315 29.418 29.700 0.054 0.000 0.745 220 E HN 0.561 nan 8.360 nan 0.000 0.458 221 G N 1.284 110.086 108.800 0.004 0.000 2.440 221 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.218 221 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.218 221 G C 1.586 176.291 174.900 -0.325 0.000 1.154 221 G CA 0.683 45.694 45.100 -0.148 0.000 0.767 221 G HN 0.141 nan 8.290 nan 0.000 0.552 222 I N 0.906 121.361 120.570 -0.192 0.000 2.226 222 I HA -0.171 3.998 4.170 -0.001 0.000 0.245 222 I C 3.005 179.011 176.117 -0.185 0.000 1.100 222 I CA 1.457 62.638 61.300 -0.199 0.000 1.374 222 I CB -0.472 37.460 38.000 -0.113 0.000 1.057 222 I HN 0.135 nan 8.210 nan 0.000 0.413 223 T N 0.930 115.424 114.554 -0.100 0.000 2.595 223 T HA -0.212 4.137 4.350 -0.001 0.000 0.264 223 T C 2.096 176.792 174.700 -0.007 0.000 1.058 223 T CA 1.613 63.684 62.100 -0.048 0.000 1.166 223 T CB -0.543 68.326 68.868 0.003 0.000 0.863 223 T HN 0.469 nan 8.240 nan 0.000 0.415 224 A N 1.170 124.021 122.820 0.052 0.000 1.940 224 A HA -0.135 4.184 4.320 -0.001 0.000 0.219 224 A C 2.580 180.275 177.584 0.186 0.000 1.176 224 A CA 2.264 54.395 52.037 0.156 0.000 0.631 224 A CB -1.177 17.992 19.000 0.283 0.000 0.814 224 A HN 0.464 nan 8.150 nan 0.000 0.446 225 S N -0.650 115.089 115.700 0.065 0.000 2.370 225 S HA -0.199 4.270 4.470 -0.001 0.000 0.226 225 S C 2.070 176.722 174.600 0.086 0.000 1.033 225 S CA 1.692 59.925 58.200 0.055 0.000 1.011 225 S CB -0.295 62.750 63.200 -0.257 0.000 0.852 225 S HN 0.628 nan 8.310 nan 0.000 0.457 226 R N 0.334 120.796 120.500 -0.064 0.000 2.275 226 R HA 0.207 4.547 4.340 -0.001 0.000 0.199 226 R C -0.204 176.132 176.300 0.060 0.000 0.989 226 R CA 0.587 56.593 56.100 -0.157 0.000 1.016 226 R CB 0.009 30.009 30.300 -0.499 0.000 0.918 226 R HN 0.401 nan 8.270 nan 0.000 0.473 227 N N 0.292 119.081 118.700 0.147 0.000 2.765 227 N HA 0.135 4.874 4.740 -0.001 0.000 0.277 227 N C -1.437 174.194 175.510 0.202 0.000 1.750 227 N CA -0.176 52.988 53.050 0.190 0.000 0.827 227 N CB 1.585 40.149 38.487 0.127 0.000 1.200 227 N HN -0.107 nan 8.380 nan 0.000 0.494 237 R N 1.113 121.572 120.500 -0.068 0.000 2.667 237 R HA -0.392 3.947 4.340 -0.001 0.000 0.139 237 R C 1.378 177.647 176.300 -0.052 0.000 0.581 237 R CA 2.836 58.899 56.100 -0.062 0.000 0.270 237 R CB -1.251 29.023 30.300 -0.043 0.000 0.607 237 R HN 0.495 nan 8.270 nan 0.000 0.249 238 K N 0.911 121.290 120.400 -0.035 0.000 2.007 238 K HA -0.184 4.136 4.320 -0.001 0.000 0.206 238 K C 2.072 178.664 176.600 -0.013 0.000 1.047 238 K CA 2.088 58.362 56.287 -0.021 0.000 0.937 238 K CB -0.569 31.923 32.500 -0.013 0.000 0.718 238 K HN 0.697 nan 8.250 nan 0.000 0.438 239 Q N 0.426 120.220 119.800 -0.010 0.000 2.226 239 Q HA -0.103 4.236 4.340 -0.001 0.000 0.204 239 Q C 2.213 178.230 176.000 0.028 0.000 0.975 239 Q CA 0.905 56.721 55.803 0.021 0.000 0.866 239 Q CB -0.031 28.730 28.738 0.038 0.000 0.915 239 Q HN 0.320 nan 8.270 nan 0.000 0.440 240 L N 0.514 121.698 121.223 -0.066 0.000 2.056 240 L HA -0.157 4.182 4.340 -0.001 0.000 0.207 240 L C 2.441 179.303 176.870 -0.013 0.000 1.078 240 L CA 1.769 56.515 54.840 -0.156 0.000 0.749 240 L CB -0.304 41.583 42.059 -0.287 0.000 0.901 240 L HN 0.104 nan 8.230 nan 0.000 0.433 241 R N -0.798 119.697 120.500 -0.009 0.000 2.093 241 R HA -0.092 4.247 4.340 -0.001 0.000 0.224 241 R C 2.122 178.445 176.300 0.038 0.000 1.101 241 R CA 1.138 57.247 56.100 0.016 0.000 0.979 241 R CB -0.058 30.241 30.300 -0.001 0.000 0.877 241 R HN 0.462 nan 8.270 nan 0.000 0.441 242 E N -0.186 120.035 120.200 0.034 0.000 2.085 242 E HA -0.175 4.175 4.350 -0.001 0.000 0.194 242 E C 1.932 178.571 176.600 0.064 0.000 0.994 242 E CA 1.550 57.971 56.400 0.034 0.000 0.801 242 E CB 0.068 29.782 29.700 0.023 0.000 0.743 242 E HN 0.139 nan 8.360 nan 0.000 0.453 243 V N 1.066 121.053 119.914 0.121 0.000 2.343 243 V HA -0.257 3.863 4.120 -0.001 0.000 0.247 243 V C 2.211 178.390 176.094 0.141 0.000 1.051 243 V CA 1.803 64.201 62.300 0.163 0.000 1.036 243 V CB -0.429 31.587 31.823 0.322 0.000 0.654 243 V HN 0.181 nan 8.190 nan 0.000 0.451 244 R N -0.128 120.466 120.500 0.155 0.000 2.081 244 R HA -0.164 4.175 4.340 -0.001 0.000 0.235 244 R C 2.297 178.643 176.300 0.076 0.000 1.131 244 R CA 1.642 57.812 56.100 0.116 0.000 0.960 244 R CB -0.279 30.085 30.300 0.106 0.000 0.856 244 R HN 0.586 nan 8.270 nan 0.000 0.436 245 E N -0.117 120.121 120.200 0.063 0.000 2.150 245 E HA -0.099 4.251 4.350 -0.001 0.000 0.193 245 E C 1.896 178.538 176.600 0.070 0.000 0.985 245 E CA 1.121 57.553 56.400 0.053 0.000 0.814 245 E CB 0.161 29.875 29.700 0.024 0.000 0.752 245 E HN 0.197 nan 8.360 nan 0.000 0.466 246 S N 0.515 116.249 115.700 0.057 0.000 2.371 246 S HA -0.062 4.408 4.470 -0.001 0.000 0.224 246 S C 1.972 176.632 174.600 0.099 0.000 1.029 246 S CA 0.597 58.836 58.200 0.065 0.000 0.978 246 S CB -0.041 63.182 63.200 0.040 0.000 0.833 246 S HN 0.182 nan 8.310 nan 0.000 0.466 247 I N 1.216 121.825 120.570 0.064 0.000 2.286 247 I HA -0.167 4.002 4.170 -0.001 0.000 0.248 247 I C 2.675 178.800 176.117 0.013 0.000 1.115 247 I CA 1.120 62.437 61.300 0.028 0.000 1.392 247 I CB -0.202 37.812 38.000 0.022 0.000 1.065 247 I HN 0.152 nan 8.210 nan 0.000 0.418 248 R N -0.124 120.399 120.500 0.038 0.000 2.075 248 R HA -0.162 4.177 4.340 -0.001 0.000 0.232 248 R C 2.368 178.669 176.300 0.002 0.000 1.126 248 R CA 1.591 57.698 56.100 0.012 0.000 0.963 248 R CB -0.483 29.833 30.300 0.027 0.000 0.858 248 R HN 0.236 nan 8.270 nan 0.000 0.435 249 F N 1.240 121.135 119.950 -0.093 0.000 2.091 249 F HA -0.299 4.227 4.527 -0.001 0.000 0.299 249 F C 2.109 177.790 175.800 -0.198 0.000 1.103 249 F CA 1.329 59.257 58.000 -0.122 0.000 1.228 249 F CB -0.102 38.846 39.000 -0.085 0.000 0.984 249 F HN -0.018 nan 8.300 nan 0.000 0.477 250 L N 0.732 121.914 121.223 -0.069 0.000 1.994 250 L HA -0.194 4.146 4.340 -0.001 0.000 0.208 250 L C 2.465 179.108 176.870 -0.378 0.000 1.071 250 L CA 1.902 56.593 54.840 -0.249 0.000 0.745 250 L CB -1.151 40.826 42.059 -0.138 0.000 0.892 250 L HN 0.196 nan 8.230 nan 0.000 0.431 251 R N -0.964 119.375 120.500 -0.268 0.000 2.148 251 R HA -0.202 4.137 4.340 -0.001 0.000 0.227 251 R C 2.077 178.123 176.300 -0.422 0.000 1.103 251 R CA 1.004 56.928 56.100 -0.293 0.000 0.983 251 R CB -0.103 30.095 30.300 -0.170 0.000 0.874 251 R HN 0.354 nan 8.270 nan 0.000 0.451 252 Q N 0.689 120.239 119.800 -0.417 0.000 2.083 252 Q HA -0.066 4.273 4.340 -0.001 0.000 0.198 252 Q C 1.922 177.559 176.000 -0.605 0.000 0.969 252 Q CA 1.321 56.861 55.803 -0.438 0.000 0.838 252 Q CB -0.022 28.495 28.738 -0.367 0.000 0.900 252 Q HN 0.088 nan 8.270 nan 0.000 0.436 253 V N 0.359 119.785 119.914 -0.815 0.000 2.392 253 V HA -0.251 3.868 4.120 -0.001 0.000 0.249 253 V C 2.139 177.469 176.094 -1.273 0.000 1.059 253 V CA 1.893 63.582 62.300 -1.017 0.000 1.051 253 V CB -1.398 29.733 31.823 -1.153 0.000 0.658 253 V HN 0.594 nan 8.190 nan 0.000 0.455 254 G N 1.275 109.206 108.800 -1.449 0.000 2.480 254 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.216 254 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.216 254 G C 1.587 175.888 174.900 -0.998 0.000 1.200 254 G CA 1.079 44.941 45.100 -2.063 0.000 0.782 254 G HN 0.625 nan 8.290 nan 0.000 0.554 255 R N 0.256 120.388 120.500 -0.614 0.000 2.120 255 R HA -0.020 4.319 4.340 -0.001 0.000 0.234 255 R C 1.775 177.927 176.300 -0.245 0.000 1.123 255 R CA 1.729 57.625 56.100 -0.340 0.000 0.975 255 R CB -0.581 29.572 30.300 -0.245 0.000 0.866 255 R HN 0.165 nan 8.270 nan 0.000 0.446 256 D N 0.555 120.791 120.400 -0.273 0.000 2.097 256 D HA -0.155 4.484 4.640 -0.001 0.000 0.195 256 D C 1.643 177.975 176.300 0.054 0.000 0.989 256 D CA 1.069 55.002 54.000 -0.112 0.000 0.827 256 D CB -0.341 40.391 40.800 -0.113 0.000 0.966 256 D HN 0.327 nan 8.370 nan 0.000 0.456 257 W N 0.976 122.105 121.300 -0.285 0.000 2.402 257 W HA -0.009 4.650 4.660 -0.001 0.000 0.286 257 W C 2.342 178.780 176.519 -0.135 0.000 1.221 257 W CA 0.005 57.239 57.345 -0.185 0.000 1.257 257 W CB -1.093 28.249 29.460 -0.196 0.000 1.120 257 W HN -0.149 nan 8.180 nan 0.000 0.551 258 V N -0.033 119.889 119.914 0.013 0.000 2.379 258 V HA -0.288 3.831 4.120 -0.001 0.000 0.245 258 V C 2.414 178.512 176.094 0.005 0.000 1.044 258 V CA 2.111 64.414 62.300 0.005 0.000 1.036 258 V CB -0.765 31.017 31.823 -0.067 0.000 0.664 258 V HN 0.171 nan 8.190 nan 0.000 0.453 259 Q N -0.126 119.661 119.800 -0.020 0.000 2.061 259 Q HA -0.256 4.083 4.340 -0.001 0.000 0.204 259 Q C 2.513 178.515 176.000 0.002 0.000 0.984 259 Q CA 1.905 57.699 55.803 -0.016 0.000 0.846 259 Q CB -0.080 28.640 28.738 -0.030 0.000 0.902 259 Q HN 0.531 nan 8.270 nan 0.000 0.421 260 R N -0.261 120.250 120.500 0.018 0.000 2.096 260 R HA -0.164 4.176 4.340 -0.001 0.000 0.235 260 R C 2.405 178.709 176.300 0.006 0.000 1.127 260 R CA 1.449 57.553 56.100 0.008 0.000 0.968 260 R CB -0.211 30.088 30.300 -0.003 0.000 0.861 260 R HN 0.088 nan 8.270 nan 0.000 0.440 261 R N 1.267 121.782 120.500 0.025 0.000 2.075 261 R HA -0.052 4.287 4.340 -0.001 0.000 0.232 261 R C 1.984 178.294 176.300 0.017 0.000 1.126 261 R CA 1.581 57.698 56.100 0.029 0.000 0.963 261 R CB -0.179 30.160 30.300 0.065 0.000 0.858 261 R HN 0.075 nan 8.270 nan 0.000 0.435 262 R N 0.076 120.585 120.500 0.015 0.000 2.092 262 R HA -0.042 4.297 4.340 -0.001 0.000 0.231 262 R C 2.241 178.542 176.300 0.000 0.000 1.119 262 R CA 1.744 57.848 56.100 0.007 0.000 0.970 262 R CB -0.187 30.115 30.300 0.004 0.000 0.864 262 R HN 0.398 nan 8.270 nan 0.000 0.440 263 E N 0.504 120.703 120.200 -0.002 0.000 2.106 263 E HA -0.143 4.207 4.350 -0.001 0.000 0.192 263 E C 2.011 178.608 176.600 -0.006 0.000 0.984 263 E CA 1.096 57.493 56.400 -0.005 0.000 0.806 263 E CB -0.067 29.630 29.700 -0.007 0.000 0.750 263 E HN 0.353 nan 8.360 nan 0.000 0.458 264 A N 0.915 123.732 122.820 -0.006 0.000 1.969 264 A HA -0.121 4.198 4.320 -0.001 0.000 0.218 264 A C 2.101 179.680 177.584 -0.008 0.000 1.169 264 A CA 0.949 52.980 52.037 -0.009 0.000 0.635 264 A CB -0.420 18.573 19.000 -0.011 0.000 0.810 264 A HN 0.135 nan 8.150 nan 0.000 0.445 265 L N -1.231 119.990 121.223 -0.004 0.000 2.313 265 L HA -0.023 4.316 4.340 -0.001 0.000 0.214 265 L C 2.256 179.122 176.870 -0.005 0.000 1.119 265 L CA 0.861 55.698 54.840 -0.004 0.000 0.809 265 L CB -0.204 41.855 42.059 -0.001 0.000 0.933 265 L HN 0.277 nan 8.230 nan 0.000 0.449 266 K N 0.160 120.557 120.400 -0.005 0.000 2.418 266 K HA 0.025 4.345 4.320 -0.001 0.000 0.195 266 K C 1.484 178.080 176.600 -0.007 0.000 1.035 266 K CA 0.425 56.708 56.287 -0.006 0.000 1.003 266 K CB 0.240 32.736 32.500 -0.006 0.000 0.793 266 K HN 0.286 nan 8.250 nan 0.000 0.494 267 R N -0.278 120.218 120.500 -0.008 0.000 2.393 267 R HA 0.083 4.422 4.340 -0.001 0.000 0.244 267 R C 0.447 176.742 176.300 -0.009 0.000 0.920 267 R CA 0.347 56.442 56.100 -0.008 0.000 1.076 267 R CB 0.752 31.047 30.300 -0.009 0.000 1.119 267 R HN 0.160 nan 8.270 nan 0.000 0.524 268 G N 2.292 111.087 108.800 -0.009 0.000 2.298 268 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.287 268 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.287 268 G C -0.375 174.519 174.900 -0.011 0.000 1.075 268 G CA 0.077 45.171 45.100 -0.010 0.000 0.960 268 G HN 0.391 nan 8.290 nan 0.000 0.502 269 E N -0.612 119.581 120.200 -0.012 0.000 2.319 269 E HA 0.424 4.773 4.350 -0.001 0.000 0.268 269 E C 0.084 176.675 176.600 -0.015 0.000 1.050 269 E CA -0.661 55.731 56.400 -0.014 0.000 0.878 269 E CB 0.891 30.582 29.700 -0.015 0.000 1.066 269 E HN 0.226 nan 8.360 nan 0.000 0.406 270 E N 1.798 121.987 120.200 -0.018 0.000 1.936 270 E HA 0.139 4.488 4.350 -0.001 0.000 0.267 270 E C -1.442 175.145 176.600 -0.022 0.000 1.076 270 E CA -0.286 56.102 56.400 -0.020 0.000 0.870 270 E CB 0.414 30.101 29.700 -0.021 0.000 1.093 270 E HN 0.112 nan 8.360 nan 0.000 0.411 271 V N 7.204 127.106 119.914 -0.021 0.000 2.385 271 V HA 0.277 4.396 4.120 -0.001 0.000 0.269 271 V C -1.706 174.370 176.094 -0.029 0.000 1.043 271 V CA -1.695 60.592 62.300 -0.023 0.000 0.906 271 V CB 0.659 32.473 31.823 -0.015 0.000 0.995 271 V HN 0.697 nan 8.190 nan 0.000 0.467 272 P HA 0.108 nan 4.420 nan 0.000 0.264 272 P C -0.095 177.174 177.300 -0.051 0.000 1.183 272 P CA 0.065 63.137 63.100 -0.047 0.000 0.763 272 P CB 0.508 32.176 31.700 -0.054 0.000 0.807 273 A N 3.334 126.119 122.820 -0.057 0.000 2.520 273 A HA 0.338 4.657 4.320 -0.001 0.000 0.245 273 A C 0.567 178.096 177.584 -0.092 0.000 1.072 273 A CA 0.081 52.079 52.037 -0.065 0.000 0.761 273 A CB -0.285 18.677 19.000 -0.064 0.000 1.004 273 A HN 0.694 nan 8.150 nan 0.000 0.499 274 D N 1.086 121.426 120.400 -0.100 0.000 2.904 274 D HA 0.304 4.943 4.640 -0.001 0.000 0.290 274 D C 0.668 176.849 176.300 -0.198 0.000 1.180 274 D CA -0.527 53.383 54.000 -0.151 0.000 1.065 274 D CB -0.052 40.672 40.800 -0.126 0.000 1.386 274 D HN 0.196 nan 8.370 nan 0.000 0.599 275 I N -0.453 119.944 120.570 -0.289 0.000 2.252 275 I HA -0.127 4.042 4.170 -0.001 0.000 0.245 275 I C 2.218 178.191 176.117 -0.239 0.000 1.102 275 I CA 0.675 61.745 61.300 -0.384 0.000 1.385 275 I CB -0.158 37.486 38.000 -0.593 0.000 1.064 275 I HN 0.243 nan 8.210 nan 0.000 0.414 276 L N 0.349 121.512 121.223 -0.101 0.000 2.079 276 L HA -0.213 4.126 4.340 -0.001 0.000 0.210 276 L C 2.443 179.351 176.870 0.064 0.000 1.081 276 L CA 2.114 57.037 54.840 0.138 0.000 0.752 276 L CB -1.008 41.250 42.059 0.331 0.000 0.896 276 L HN 0.186 nan 8.230 nan 0.000 0.433 277 T N -0.768 113.787 114.554 0.001 0.000 2.720 277 T HA -0.180 4.170 4.350 -0.001 0.000 0.268 277 T C 1.773 176.461 174.700 -0.020 0.000 1.037 277 T CA 1.514 63.608 62.100 -0.008 0.000 1.144 277 T CB -0.166 68.682 68.868 -0.033 0.000 0.864 277 T HN 0.362 nan 8.240 nan 0.000 0.444 278 Q N 0.617 120.384 119.800 -0.054 0.000 2.311 278 Q HA 0.139 4.478 4.340 -0.001 0.000 0.203 278 Q C 2.415 178.396 176.000 -0.031 0.000 0.954 278 Q CA 0.563 56.336 55.803 -0.052 0.000 0.885 278 Q CB -0.418 28.278 28.738 -0.071 0.000 0.963 278 Q HN 0.766 nan 8.270 nan 0.000 0.471 279 I N -3.556 117.002 120.570 -0.021 0.000 2.584 279 I HA -0.092 4.077 4.170 -0.001 0.000 0.255 279 I C 1.884 178.039 176.117 0.063 0.000 1.145 279 I CA 0.564 61.885 61.300 0.035 0.000 1.462 279 I CB -0.357 37.692 38.000 0.081 0.000 1.102 279 I HN -0.027 nan 8.210 nan 0.000 0.433 280 L N 1.334 122.593 121.223 0.061 0.000 2.017 280 L HA -0.175 4.164 4.340 -0.001 0.000 0.208 280 L C 2.723 179.609 176.870 0.027 0.000 1.073 280 L CA 1.624 56.494 54.840 0.050 0.000 0.745 280 L CB -0.582 41.506 42.059 0.049 0.000 0.894 280 L HN 0.220 nan 8.230 nan 0.000 0.432 281 K N 0.584 120.991 120.400 0.012 0.000 2.103 281 K HA -0.142 4.177 4.320 -0.001 0.000 0.207 281 K C 1.934 178.531 176.600 -0.005 0.000 1.048 281 K CA 1.494 57.781 56.287 -0.002 0.000 0.930 281 K CB -0.317 32.175 32.500 -0.013 0.000 0.716 281 K HN 0.254 nan 8.250 nan 0.000 0.444 282 A N 0.429 123.248 122.820 -0.002 0.000 2.121 282 A HA -0.059 4.260 4.320 -0.001 0.000 0.218 282 A C 0.747 178.335 177.584 0.007 0.000 1.154 282 A CA 1.239 53.272 52.037 -0.007 0.000 0.679 282 A CB -0.180 18.818 19.000 -0.003 0.000 0.795 282 A HN 0.282 nan 8.150 nan 0.000 0.458 283 E N -0.056 120.155 120.200 0.019 0.000 2.511 283 E HA 0.131 4.480 4.350 -0.001 0.000 0.214 283 E C 0.470 177.079 176.600 0.015 0.000 1.062 283 E CA -0.134 56.280 56.400 0.023 0.000 1.213 283 E CB -0.016 29.706 29.700 0.037 0.000 1.214 283 E HN 0.685 nan 8.360 nan 0.000 0.441 284 E N 0.639 120.844 120.200 0.008 0.000 2.007 284 E HA -0.140 4.209 4.350 -0.001 0.000 0.203 284 E C 1.208 177.812 176.600 0.006 0.000 1.020 284 E CA 1.324 57.727 56.400 0.005 0.000 0.845 284 E CB -0.113 29.587 29.700 -0.000 0.000 0.779 284 E HN 0.196 nan 8.360 nan 0.000 0.466 285 G N 0.092 108.895 108.800 0.006 0.000 3.458 285 G HA2 0.391 4.350 3.960 -0.001 0.000 0.256 285 G HA3 0.391 4.350 3.960 -0.001 0.000 0.256 285 G C -0.683 174.223 174.900 0.010 0.000 0.938 285 G CA 0.092 45.196 45.100 0.007 0.000 1.890 285 G HN 0.243 nan 8.290 nan 0.000 0.639 286 A N 0.751 123.577 122.820 0.011 0.000 2.288 286 A HA 0.511 4.830 4.320 -0.001 0.000 0.320 286 A C 1.035 178.625 177.584 0.010 0.000 1.217 286 A CA -0.605 51.440 52.037 0.013 0.000 0.840 286 A CB 0.948 19.958 19.000 0.017 0.000 1.179 286 A HN 0.500 nan 8.150 nan 0.000 0.504 287 Q N 0.697 120.503 119.800 0.010 0.000 2.291 287 Q HA -0.083 4.256 4.340 -0.001 0.000 0.206 287 Q C -0.262 175.741 176.000 0.004 0.000 0.976 287 Q CA 1.818 57.626 55.803 0.007 0.000 0.875 287 Q CB -0.123 28.621 28.738 0.009 0.000 0.927 287 Q HN 0.964 nan 8.270 nan 0.000 0.450 288 D N -2.387 118.016 120.400 0.006 0.000 2.664 288 D HA 0.131 4.770 4.640 -0.001 0.000 0.292 288 D C -0.682 175.619 176.300 0.002 0.000 1.214 288 D CA -0.721 53.279 54.000 0.001 0.000 0.932 288 D CB 0.240 41.040 40.800 -0.001 0.000 1.420 288 D HN -0.328 nan 8.370 nan 0.000 0.471 289 D N -0.916 119.480 120.400 -0.007 0.000 2.339 289 D HA 0.032 4.671 4.640 -0.001 0.000 0.217 289 D C 1.034 177.335 176.300 0.000 0.000 1.050 289 D CA 0.259 54.255 54.000 -0.007 0.000 0.856 289 D CB 0.368 41.152 40.800 -0.028 0.000 0.922 289 D HN 0.351 nan 8.370 nan 0.000 0.518 290 E N 0.763 120.965 120.200 0.004 0.000 2.097 290 E HA -0.131 4.218 4.350 -0.001 0.000 0.196 290 E C 2.087 178.710 176.600 0.037 0.000 1.000 290 E CA 1.362 57.770 56.400 0.013 0.000 0.804 290 E CB -0.519 29.189 29.700 0.015 0.000 0.740 290 E HN 0.320 nan 8.360 nan 0.000 0.454 291 G N 0.530 109.358 108.800 0.046 0.000 2.433 291 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.216 291 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.216 291 G C 1.515 176.470 174.900 0.092 0.000 1.186 291 G CA 0.928 46.069 45.100 0.069 0.000 0.779 291 G HN 0.339 nan 8.290 nan 0.000 0.543 292 L N 0.713 121.983 121.223 0.079 0.000 2.013 292 L HA -0.030 4.309 4.340 -0.001 0.000 0.212 292 L C 2.683 179.637 176.870 0.141 0.000 1.073 292 L CA 1.611 56.515 54.840 0.107 0.000 0.753 292 L CB -0.576 41.526 42.059 0.072 0.000 0.890 292 L HN 0.247 nan 8.230 nan 0.000 0.432 293 L N -0.693 120.576 121.223 0.077 0.000 2.131 293 L HA -0.182 4.158 4.340 -0.001 0.000 0.210 293 L C 2.225 179.171 176.870 0.126 0.000 1.092 293 L CA 1.025 55.904 54.840 0.065 0.000 0.759 293 L CB -0.956 41.078 42.059 -0.041 0.000 0.903 293 L HN 0.269 nan 8.230 nan 0.000 0.435 294 D N 0.181 120.649 120.400 0.113 0.000 2.092 294 D HA -0.182 4.457 4.640 -0.001 0.000 0.193 294 D C 1.990 178.403 176.300 0.188 0.000 0.994 294 D CA 1.177 55.252 54.000 0.126 0.000 0.828 294 D CB -0.299 40.579 40.800 0.130 0.000 0.963 294 D HN 0.192 nan 8.370 nan 0.000 0.450 295 N N -0.289 118.560 118.700 0.247 0.000 2.381 295 N HA -0.106 4.633 4.740 -0.001 0.000 0.182 295 N C 1.555 177.348 175.510 0.471 0.000 1.025 295 N CA 0.134 53.408 53.050 0.373 0.000 0.888 295 N CB -0.256 38.446 38.487 0.358 0.000 0.965 295 N HN 0.183 nan 8.380 nan 0.000 0.438 296 F N 1.326 121.414 119.950 0.230 0.000 2.084 296 F HA -0.134 4.392 4.527 -0.001 0.000 0.296 296 F C 2.068 177.974 175.800 0.176 0.000 1.111 296 F CA 1.063 59.177 58.000 0.190 0.000 1.224 296 F CB -0.379 38.562 39.000 -0.097 0.000 0.991 296 F HN -0.214 nan 8.300 nan 0.000 0.471 297 V N -0.026 119.971 119.914 0.138 0.000 2.407 297 V HA -0.288 3.832 4.120 -0.001 0.000 0.248 297 V C 2.313 178.312 176.094 -0.159 0.000 1.055 297 V CA 2.249 64.492 62.300 -0.095 0.000 1.049 297 V CB -1.297 30.405 31.823 -0.201 0.000 0.662 297 V HN 0.443 nan 8.190 nan 0.000 0.455 298 T N 0.346 114.877 114.554 -0.039 0.000 2.635 298 T HA -0.216 4.133 4.350 -0.001 0.000 0.267 298 T C 1.664 176.396 174.700 0.054 0.000 1.040 298 T CA 2.153 64.307 62.100 0.090 0.000 1.156 298 T CB -0.429 68.551 68.868 0.185 0.000 0.863 298 T HN 0.404 nan 8.240 nan 0.000 0.430 299 F N -0.098 119.953 119.950 0.168 0.000 2.259 299 F HA 0.162 4.688 4.527 -0.001 0.000 0.298 299 F C 1.934 177.843 175.800 0.182 0.000 1.088 299 F CA 0.360 58.454 58.000 0.157 0.000 1.358 299 F CB -0.488 38.594 39.000 0.136 0.000 1.040 299 F HN 0.080 nan 8.300 nan 0.000 0.505 300 F N 0.272 120.321 119.950 0.165 0.000 2.171 300 F HA -0.233 4.293 4.527 -0.001 0.000 0.300 300 F C 1.914 177.866 175.800 0.253 0.000 1.090 300 F CA 1.287 59.353 58.000 0.110 0.000 1.293 300 F CB -0.058 38.768 39.000 -0.291 0.000 1.013 300 F HN -0.171 nan 8.300 nan 0.000 0.486 301 I N -0.242 120.518 120.570 0.317 0.000 2.512 301 I HA 0.068 4.237 4.170 -0.001 0.000 0.247 301 I C 2.613 178.774 176.117 0.074 0.000 1.094 301 I CA 1.192 62.638 61.300 0.242 0.000 1.427 301 I CB -2.044 36.089 38.000 0.222 0.000 1.149 301 I HN 0.070 nan 8.210 nan 0.000 0.438 302 A N 0.732 123.615 122.820 0.105 0.000 2.121 302 A HA 0.035 4.354 4.320 -0.001 0.000 0.218 302 A C 2.237 179.796 177.584 -0.042 0.000 1.154 302 A CA 1.523 53.561 52.037 0.000 0.000 0.679 302 A CB -1.116 17.853 19.000 -0.053 0.000 0.795 302 A HN 0.454 nan 8.150 nan 0.000 0.458 303 G N -1.647 107.163 108.800 0.016 0.000 2.777 303 G HA2 0.062 4.022 3.960 -0.001 0.000 0.211 303 G HA3 0.062 4.022 3.960 -0.001 0.000 0.211 303 G C 1.217 176.168 174.900 0.084 0.000 1.149 303 G CA 0.995 46.098 45.100 0.005 0.000 0.785 303 G HN 0.829 nan 8.290 nan 0.000 0.536 304 H N -0.945 118.114 119.070 -0.018 0.000 3.266 304 H HA 0.174 4.729 4.556 -0.001 0.000 0.246 304 H C 1.763 177.096 175.328 0.007 0.000 0.998 304 H CA 0.824 56.870 56.048 -0.003 0.000 1.152 304 H CB 0.200 29.929 29.762 -0.054 0.000 1.466 304 H HN 0.293 nan 8.280 nan 0.000 0.481 305 E N 2.466 122.309 120.200 -0.594 0.000 2.028 305 E HA -0.105 4.244 4.350 -0.001 0.000 0.190 305 E C 2.152 178.648 176.600 -0.173 0.000 0.984 305 E CA 2.811 58.921 56.400 -0.484 0.000 0.800 305 E CB -0.275 29.183 29.700 -0.403 0.000 0.758 305 E HN 0.490 nan 8.360 nan 0.000 0.448 306 T N -1.767 112.723 114.554 -0.107 0.000 2.821 306 T HA -0.054 4.295 4.350 -0.001 0.000 0.267 306 T C 2.152 176.871 174.700 0.032 0.000 1.046 306 T CA 1.275 63.351 62.100 -0.039 0.000 1.139 306 T CB -0.467 68.361 68.868 -0.066 0.000 0.871 306 T HN 0.013 nan 8.240 nan 0.000 0.454 307 S N 1.915 117.646 115.700 0.052 0.000 2.368 307 S HA 0.137 4.607 4.470 -0.001 0.000 0.224 307 S C 2.659 177.306 174.600 0.077 0.000 1.029 307 S CA 0.873 59.144 58.200 0.118 0.000 0.988 307 S CB -0.779 62.500 63.200 0.133 0.000 0.838 307 S HN 0.737 nan 8.310 nan 0.000 0.462 308 A N 2.425 125.261 122.820 0.028 0.000 1.877 308 A HA -0.174 4.145 4.320 -0.001 0.000 0.216 308 A C 1.850 179.402 177.584 -0.054 0.000 1.186 308 A CA 1.769 53.797 52.037 -0.015 0.000 0.620 308 A CB -0.977 18.015 19.000 -0.013 0.000 0.822 308 A HN 0.632 nan 8.150 nan 0.000 0.443 309 N N -1.392 117.281 118.700 -0.045 0.000 2.069 309 N HA -0.254 4.486 4.740 -0.001 0.000 0.191 309 N C 1.900 177.466 175.510 0.094 0.000 1.031 309 N CA 1.471 54.475 53.050 -0.076 0.000 0.852 309 N CB -0.347 38.156 38.487 0.026 0.000 1.018 309 N HN 0.707 nan 8.380 nan 0.000 0.423 310 H N 1.359 120.480 119.070 0.086 0.000 2.321 310 H HA 0.005 4.560 4.556 -0.001 0.000 0.300 310 H C 1.962 177.345 175.328 0.091 0.000 1.087 310 H CA 1.379 57.518 56.048 0.151 0.000 1.319 310 H CB -0.529 29.272 29.762 0.066 0.000 1.379 310 H HN 0.139 nan 8.280 nan 0.000 0.501 311 L N -0.317 120.848 121.223 -0.097 0.000 2.042 311 L HA -0.159 4.181 4.340 -0.001 0.000 0.210 311 L C 2.837 179.601 176.870 -0.176 0.000 1.076 311 L CA 1.224 55.942 54.840 -0.203 0.000 0.749 311 L CB -0.629 41.339 42.059 -0.151 0.000 0.893 311 L HN 0.427 nan 8.230 nan 0.000 0.432 312 A N -0.775 121.941 122.820 -0.173 0.000 1.929 312 A HA -0.163 4.156 4.320 -0.001 0.000 0.216 312 A C 2.000 179.428 177.584 -0.261 0.000 1.176 312 A CA 1.140 53.023 52.037 -0.257 0.000 0.628 312 A CB -0.622 18.183 19.000 -0.325 0.000 0.816 312 A HN 0.281 nan 8.150 nan 0.000 0.444 313 F N 0.839 120.675 119.950 -0.189 0.000 2.186 313 F HA -0.096 4.431 4.527 -0.001 0.000 0.299 313 F C 2.706 178.340 175.800 -0.277 0.000 1.090 313 F CA 1.770 59.597 58.000 -0.288 0.000 1.307 313 F CB -0.883 38.003 39.000 -0.189 0.000 1.019 313 F HN 0.158 nan 8.300 nan 0.000 0.489 314 T N -0.589 113.971 114.554 0.011 0.000 2.737 314 T HA -0.115 4.234 4.350 -0.001 0.000 0.265 314 T C 2.327 176.928 174.700 -0.165 0.000 1.038 314 T CA 1.364 63.424 62.100 -0.067 0.000 1.144 314 T CB -0.670 68.121 68.868 -0.128 0.000 0.866 314 T HN -0.003 nan 8.240 nan 0.000 0.434 315 V N 2.144 121.922 119.914 -0.226 0.000 2.287 315 V HA -0.245 3.874 4.120 -0.001 0.000 0.248 315 V C 2.498 178.435 176.094 -0.262 0.000 1.053 315 V CA 2.011 64.118 62.300 -0.323 0.000 1.027 315 V CB -0.667 30.884 31.823 -0.454 0.000 0.646 315 V HN 0.495 nan 8.190 nan 0.000 0.447 316 M N -0.150 119.312 119.600 -0.231 0.000 2.080 316 M HA -0.237 4.242 4.480 -0.001 0.000 0.260 316 M C 2.217 178.495 176.300 -0.037 0.000 1.068 316 M CA 2.488 57.670 55.300 -0.197 0.000 1.109 316 M CB -0.205 32.243 32.600 -0.254 0.000 1.342 316 M HN 0.373 nan 8.290 nan 0.000 0.405 317 E N 0.648 120.784 120.200 -0.106 0.000 2.072 317 E HA -0.115 4.234 4.350 -0.001 0.000 0.191 317 E C 1.872 178.353 176.600 -0.198 0.000 0.985 317 E CA 1.399 57.703 56.400 -0.161 0.000 0.801 317 E CB -0.594 28.847 29.700 -0.431 0.000 0.750 317 E HN 0.652 nan 8.360 nan 0.000 0.452 318 L N 0.794 121.898 121.223 -0.199 0.000 2.265 318 L HA -0.142 4.197 4.340 -0.001 0.000 0.215 318 L C 2.389 179.244 176.870 -0.025 0.000 1.117 318 L CA 1.232 56.003 54.840 -0.116 0.000 0.782 318 L CB -0.674 41.332 42.059 -0.089 0.000 0.914 318 L HN 0.224 nan 8.230 nan 0.000 0.441 319 S N 1.020 116.721 115.700 0.002 0.000 2.447 319 S HA -0.203 4.266 4.470 -0.001 0.000 0.233 319 S C 1.736 176.398 174.600 0.103 0.000 1.006 319 S CA 0.828 59.069 58.200 0.068 0.000 0.957 319 S CB -0.249 62.991 63.200 0.067 0.000 0.773 319 S HN 0.680 nan 8.310 nan 0.000 0.507 320 R N -0.128 120.427 120.500 0.091 0.000 2.652 320 R HA 0.355 4.694 4.340 -0.001 0.000 0.372 320 R C -0.266 176.034 176.300 -0.001 0.000 1.104 320 R CA -0.440 55.687 56.100 0.046 0.000 1.072 320 R CB 0.194 30.484 30.300 -0.017 0.000 1.367 320 R HN 0.208 nan 8.270 nan 0.000 0.577 321 Q N 1.141 120.950 119.800 0.015 0.000 2.928 321 Q HA 0.205 4.544 4.340 -0.001 0.000 0.353 321 Q C -2.171 173.872 176.000 0.071 0.000 0.870 321 Q CA -1.716 54.111 55.803 0.041 0.000 0.963 321 Q CB 1.883 30.640 28.738 0.032 0.000 1.419 321 Q HN 0.177 nan 8.270 nan 0.000 0.396 322 P HA -0.174 nan 4.420 nan 0.000 0.216 322 P C 0.614 177.959 177.300 0.075 0.000 1.150 322 P CA 1.324 64.464 63.100 0.066 0.000 0.837 322 P CB 0.593 32.325 31.700 0.052 0.000 0.786 323 E N -0.007 120.239 120.200 0.077 0.000 2.077 323 E HA -0.124 4.225 4.350 -0.001 0.000 0.193 323 E C 2.197 178.866 176.600 0.115 0.000 0.989 323 E CA 0.955 57.401 56.400 0.077 0.000 0.800 323 E CB -1.024 28.717 29.700 0.067 0.000 0.746 323 E HN 0.263 nan 8.360 nan 0.000 0.452 324 I N 0.272 120.946 120.570 0.173 0.000 2.226 324 I HA -0.258 3.911 4.170 -0.001 0.000 0.245 324 I C 2.101 178.376 176.117 0.263 0.000 1.100 324 I CA 0.739 62.211 61.300 0.288 0.000 1.374 324 I CB -0.221 37.979 38.000 0.332 0.000 1.057 324 I HN 0.006 nan 8.210 nan 0.000 0.413 325 V N 1.018 121.034 119.914 0.169 0.000 2.332 325 V HA -0.331 3.788 4.120 -0.001 0.000 0.248 325 V C 2.708 178.873 176.094 0.119 0.000 1.055 325 V CA 2.066 64.449 62.300 0.138 0.000 1.038 325 V CB -1.059 30.828 31.823 0.107 0.000 0.651 325 V HN 0.516 nan 8.190 nan 0.000 0.450 326 A N -0.242 122.633 122.820 0.092 0.000 1.877 326 A HA -0.224 4.095 4.320 -0.001 0.000 0.216 326 A C 2.386 179.995 177.584 0.042 0.000 1.186 326 A CA 1.808 53.880 52.037 0.058 0.000 0.620 326 A CB -0.508 18.515 19.000 0.038 0.000 0.822 326 A HN 0.490 nan 8.150 nan 0.000 0.443 327 R N -0.617 119.901 120.500 0.029 0.000 2.083 327 R HA -0.106 4.234 4.340 -0.001 0.000 0.237 327 R C 2.096 178.430 176.300 0.056 0.000 1.137 327 R CA 1.617 57.674 56.100 -0.072 0.000 0.951 327 R CB -0.610 29.478 30.300 -0.352 0.000 0.851 327 R HN 0.534 nan 8.270 nan 0.000 0.434 328 L N 0.553 121.915 121.223 0.231 0.000 2.042 328 L HA -0.240 4.099 4.340 -0.001 0.000 0.210 328 L C 2.564 179.511 176.870 0.129 0.000 1.076 328 L CA 1.535 56.520 54.840 0.241 0.000 0.749 328 L CB -0.419 41.769 42.059 0.215 0.000 0.893 328 L HN 0.244 nan 8.230 nan 0.000 0.432 329 Q N -0.419 119.439 119.800 0.097 0.000 2.079 329 Q HA -0.167 4.173 4.340 -0.001 0.000 0.200 329 Q C 2.496 178.525 176.000 0.048 0.000 0.974 329 Q CA 1.499 57.343 55.803 0.067 0.000 0.840 329 Q CB -0.288 28.486 28.738 0.059 0.000 0.898 329 Q HN 0.555 nan 8.270 nan 0.000 0.430 330 A N 1.385 124.226 122.820 0.034 0.000 1.873 330 A HA -0.319 4.000 4.320 -0.001 0.000 0.218 330 A C 1.956 179.553 177.584 0.022 0.000 1.193 330 A CA 1.946 53.992 52.037 0.015 0.000 0.629 330 A CB -0.724 18.268 19.000 -0.012 0.000 0.826 330 A HN 0.497 nan 8.150 nan 0.000 0.447 331 E N -0.512 119.709 120.200 0.036 0.000 2.110 331 E HA -0.127 4.223 4.350 -0.001 0.000 0.193 331 E C 1.866 178.495 176.600 0.048 0.000 0.988 331 E CA 1.308 57.738 56.400 0.049 0.000 0.804 331 E CB -0.149 29.607 29.700 0.092 0.000 0.745 331 E HN 0.291 nan 8.360 nan 0.000 0.458 332 V N 1.822 121.767 119.914 0.053 0.000 2.343 332 V HA -0.246 3.873 4.120 -0.001 0.000 0.247 332 V C 1.715 177.829 176.094 0.033 0.000 1.051 332 V CA 2.180 64.505 62.300 0.043 0.000 1.036 332 V CB -0.468 31.384 31.823 0.047 0.000 0.654 332 V HN 0.336 nan 8.190 nan 0.000 0.451 333 D N -0.238 120.181 120.400 0.032 0.000 2.104 333 D HA -0.187 4.453 4.640 -0.001 0.000 0.194 333 D C 2.171 178.485 176.300 0.022 0.000 0.994 333 D CA 1.519 55.534 54.000 0.025 0.000 0.830 333 D CB -0.217 40.596 40.800 0.022 0.000 0.959 333 D HN 0.567 nan 8.370 nan 0.000 0.452 334 E N 0.085 120.298 120.200 0.021 0.000 2.017 334 E HA -0.143 4.206 4.350 -0.001 0.000 0.193 334 E C 2.356 178.969 176.600 0.021 0.000 0.997 334 E CA 1.447 57.859 56.400 0.019 0.000 0.804 334 E CB -0.060 29.650 29.700 0.017 0.000 0.757 334 E HN 0.277 nan 8.360 nan 0.000 0.448 335 V N 0.180 120.108 119.914 0.023 0.000 2.488 335 V HA -0.081 4.038 4.120 -0.001 0.000 0.246 335 V C 1.979 178.086 176.094 0.023 0.000 1.046 335 V CA 1.532 63.845 62.300 0.022 0.000 1.053 335 V CB -0.458 31.377 31.823 0.019 0.000 0.679 335 V HN 0.383 nan 8.190 nan 0.000 0.458 336 I N -2.605 117.980 120.570 0.024 0.000 3.883 336 I HA 0.683 4.852 4.170 -0.001 0.000 0.305 336 I C 1.553 177.687 176.117 0.030 0.000 1.247 336 I CA 0.686 62.002 61.300 0.027 0.000 1.350 336 I CB 0.060 38.073 38.000 0.021 0.000 1.194 336 I HN 0.515 nan 8.210 nan 0.000 0.441 337 G N 2.885 111.701 108.800 0.027 0.000 2.527 337 G HA2 -0.345 3.614 3.960 -0.001 0.000 0.262 337 G HA3 -0.345 3.614 3.960 -0.001 0.000 0.262 337 G C 0.595 175.512 174.900 0.027 0.000 1.153 337 G CA 0.746 45.862 45.100 0.026 0.000 0.954 337 G HN 0.799 nan 8.290 nan 0.000 0.552 338 S N 0.314 116.030 115.700 0.027 0.000 2.568 338 S HA 0.411 4.880 4.470 -0.001 0.000 0.232 338 S C 0.729 175.350 174.600 0.034 0.000 0.975 338 S CA 1.075 59.292 58.200 0.028 0.000 0.949 338 S CB 0.401 63.615 63.200 0.023 0.000 0.829 338 S HN 0.812 nan 8.310 nan 0.000 0.479 339 K N 1.580 122.004 120.400 0.040 0.000 2.518 339 K HA 0.070 4.389 4.320 -0.001 0.000 0.276 339 K C 1.086 177.723 176.600 0.062 0.000 0.974 339 K CA -0.072 56.248 56.287 0.054 0.000 0.986 339 K CB 0.381 32.917 32.500 0.060 0.000 0.901 339 K HN 0.256 nan 8.250 nan 0.000 0.497 340 R N 2.025 122.576 120.500 0.085 0.000 2.128 340 R HA 0.001 4.340 4.340 -0.001 0.000 0.211 340 R C -0.178 176.199 176.300 0.129 0.000 1.067 340 R CA 0.490 56.646 56.100 0.094 0.000 1.010 340 R CB 0.173 30.530 30.300 0.095 0.000 0.922 340 R HN 0.604 nan 8.270 nan 0.000 0.457 341 Y N 0.724 121.039 120.300 0.025 0.000 2.331 341 Y HA 0.345 4.894 4.550 -0.001 0.000 0.338 341 Y C -1.210 174.708 175.900 0.031 0.000 0.992 341 Y CA -1.070 57.047 58.100 0.029 0.000 1.121 341 Y CB 0.938 39.412 38.460 0.024 0.000 1.184 341 Y HN -0.114 nan 8.280 nan 0.000 0.469 342 L N 6.553 127.589 121.223 -0.312 0.000 2.290 342 L HA 0.229 4.568 4.340 -0.001 0.000 0.284 342 L C 0.035 176.810 176.870 -0.159 0.000 1.078 342 L CA 0.140 54.877 54.840 -0.170 0.000 0.815 342 L CB 0.474 42.438 42.059 -0.158 0.000 1.162 342 L HN 0.648 nan 8.230 nan 0.000 0.435 343 D N 1.564 122.009 120.400 0.075 0.000 2.354 343 D HA 0.001 4.640 4.640 -0.001 0.000 0.247 343 D C 0.933 177.305 176.300 0.120 0.000 1.138 343 D CA -0.245 53.864 54.000 0.182 0.000 0.958 343 D CB 1.126 42.041 40.800 0.192 0.000 1.144 343 D HN 0.409 nan 8.370 nan 0.000 0.458 344 F N 1.562 121.547 119.950 0.058 0.000 2.120 344 F HA -0.251 4.275 4.527 -0.001 0.000 0.300 344 F C 2.342 178.164 175.800 0.037 0.000 1.095 344 F CA 2.061 60.084 58.000 0.038 0.000 1.249 344 F CB 0.032 39.052 39.000 0.033 0.000 0.995 344 F HN 0.512 nan 8.300 nan 0.000 0.480 345 E N -0.622 119.670 120.200 0.153 0.000 2.204 345 E HA -0.233 4.116 4.350 -0.001 0.000 0.195 345 E C 1.663 178.239 176.600 -0.040 0.000 0.990 345 E CA 1.477 57.915 56.400 0.063 0.000 0.821 345 E CB -0.680 29.098 29.700 0.130 0.000 0.750 345 E HN 0.415 nan 8.360 nan 0.000 0.477 346 D N 1.399 121.781 120.400 -0.030 0.000 2.123 346 D HA -0.157 4.482 4.640 -0.001 0.000 0.196 346 D C 2.197 178.444 176.300 -0.087 0.000 0.992 346 D CA 1.165 55.143 54.000 -0.037 0.000 0.833 346 D CB -0.187 40.605 40.800 -0.015 0.000 0.954 346 D HN 0.294 nan 8.370 nan 0.000 0.455 347 L N 0.662 121.782 121.223 -0.171 0.000 2.013 347 L HA -0.162 4.177 4.340 -0.001 0.000 0.212 347 L C 2.680 179.451 176.870 -0.164 0.000 1.073 347 L CA 1.607 56.330 54.840 -0.196 0.000 0.753 347 L CB -0.984 40.879 42.059 -0.326 0.000 0.890 347 L HN 0.092 nan 8.230 nan 0.000 0.432 348 G N -0.255 108.423 108.800 -0.203 0.000 2.462 348 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.220 348 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.220 348 G C 1.723 176.595 174.900 -0.047 0.000 1.121 348 G CA 0.464 45.495 45.100 -0.114 0.000 0.758 348 G HN 0.365 nan 8.290 nan 0.000 0.559 349 R N -0.537 119.941 120.500 -0.038 0.000 2.246 349 R HA 0.219 4.558 4.340 -0.001 0.000 0.199 349 R C 0.646 176.951 176.300 0.009 0.000 0.984 349 R CA -0.180 55.918 56.100 -0.004 0.000 1.015 349 R CB -0.071 30.231 30.300 0.003 0.000 0.930 349 R HN 0.276 nan 8.270 nan 0.000 0.475 350 L N 2.446 123.666 121.223 -0.005 0.000 2.376 350 L HA 0.007 4.346 4.340 -0.001 0.000 0.250 350 L C 1.713 178.601 176.870 0.030 0.000 1.335 350 L CA -0.162 54.688 54.840 0.016 0.000 1.214 350 L CB 0.091 42.147 42.059 -0.005 0.000 1.395 350 L HN 0.107 nan 8.230 nan 0.000 0.424 351 Q N 0.712 120.546 119.800 0.057 0.000 2.062 351 Q HA -0.212 4.127 4.340 -0.001 0.000 0.196 351 Q C 1.865 177.928 176.000 0.105 0.000 0.967 351 Q CA 1.694 57.539 55.803 0.070 0.000 0.832 351 Q CB -0.112 28.672 28.738 0.076 0.000 0.899 351 Q HN 0.694 nan 8.270 nan 0.000 0.442 352 Y N 0.647 120.960 120.300 0.021 0.000 2.224 352 Y HA -0.268 4.281 4.550 -0.001 0.000 0.289 352 Y C 2.132 178.052 175.900 0.033 0.000 1.146 352 Y CA 1.250 59.368 58.100 0.029 0.000 1.182 352 Y CB 0.007 38.486 38.460 0.032 0.000 0.983 352 Y HN 0.185 nan 8.280 nan 0.000 0.524 353 L N -0.643 120.586 121.223 0.010 0.000 2.027 353 L HA -0.156 4.183 4.340 -0.001 0.000 0.206 353 L C 2.629 179.452 176.870 -0.079 0.000 1.074 353 L CA 2.179 56.987 54.840 -0.053 0.000 0.745 353 L CB -1.314 40.750 42.059 0.009 0.000 0.898 353 L HN 0.223 nan 8.230 nan 0.000 0.433 354 S N -0.934 114.739 115.700 -0.046 0.000 2.380 354 S HA -0.316 4.154 4.470 -0.001 0.000 0.229 354 S C 1.990 176.523 174.600 -0.111 0.000 1.043 354 S CA 1.983 60.153 58.200 -0.050 0.000 1.038 354 S CB -0.263 62.924 63.200 -0.022 0.000 0.872 354 S HN 0.697 nan 8.310 nan 0.000 0.456 355 Q N -0.331 119.387 119.800 -0.137 0.000 2.119 355 Q HA -0.045 4.295 4.340 -0.001 0.000 0.201 355 Q C 2.277 178.109 176.000 -0.280 0.000 0.972 355 Q CA 1.585 57.279 55.803 -0.181 0.000 0.847 355 Q CB -0.174 28.489 28.738 -0.125 0.000 0.903 355 Q HN 0.454 nan 8.270 nan 0.000 0.433 356 V N 0.949 120.672 119.914 -0.318 0.000 2.358 356 V HA -0.246 3.873 4.120 -0.001 0.000 0.246 356 V C 2.133 178.222 176.094 -0.008 0.000 1.047 356 V CA 1.469 63.657 62.300 -0.188 0.000 1.035 356 V CB -0.443 31.294 31.823 -0.144 0.000 0.658 356 V HN 0.343 nan 8.190 nan 0.000 0.452 357 L N -0.505 120.710 121.223 -0.013 0.000 2.046 357 L HA -0.195 4.144 4.340 -0.001 0.000 0.208 357 L C 2.604 179.518 176.870 0.072 0.000 1.077 357 L CA 1.694 56.608 54.840 0.122 0.000 0.747 357 L CB -0.655 41.480 42.059 0.128 0.000 0.896 357 L HN 0.279 nan 8.230 nan 0.000 0.432 358 K N -0.113 120.168 120.400 -0.198 0.000 2.032 358 K HA -0.258 4.061 4.320 -0.001 0.000 0.209 358 K C 2.081 178.346 176.600 -0.557 0.000 1.048 358 K CA 1.749 57.718 56.287 -0.531 0.000 0.927 358 K CB -0.140 31.584 32.500 -1.295 0.000 0.712 358 K HN 0.119 nan 8.250 nan 0.000 0.441 359 E N 0.873 120.802 120.200 -0.451 0.000 2.150 359 E HA -0.124 4.225 4.350 -0.001 0.000 0.193 359 E C 1.981 178.529 176.600 -0.088 0.000 0.985 359 E CA 1.139 57.349 56.400 -0.315 0.000 0.814 359 E CB -0.116 29.212 29.700 -0.620 0.000 0.752 359 E HN 0.117 nan 8.360 nan 0.000 0.466 360 S N -0.548 115.277 115.700 0.208 0.000 2.356 360 S HA -0.096 4.373 4.470 -0.001 0.000 0.223 360 S C 1.874 176.616 174.600 0.236 0.000 1.032 360 S CA 1.216 59.713 58.200 0.494 0.000 1.005 360 S CB -0.351 63.158 63.200 0.516 0.000 0.867 360 S HN 0.381 nan 8.310 nan 0.000 0.449 361 L N 1.135 122.411 121.223 0.088 0.000 2.127 361 L HA -0.102 4.238 4.340 -0.001 0.000 0.211 361 L C 2.835 179.676 176.870 -0.048 0.000 1.089 361 L CA 1.494 56.276 54.840 -0.096 0.000 0.757 361 L CB -0.491 41.409 42.059 -0.265 0.000 0.899 361 L HN 0.369 nan 8.230 nan 0.000 0.434 362 R N 0.617 121.151 120.500 0.056 0.000 2.062 362 R HA -0.144 4.195 4.340 -0.001 0.000 0.231 362 R C 2.278 178.390 176.300 -0.314 0.000 1.136 362 R CA 1.429 57.514 56.100 -0.025 0.000 0.948 362 R CB -0.136 30.017 30.300 -0.246 0.000 0.845 362 R HN 0.304 nan 8.270 nan 0.000 0.430 363 L N -0.643 120.329 121.223 -0.419 0.000 2.131 363 L HA -0.047 4.292 4.340 -0.001 0.000 0.206 363 L C 0.456 176.766 176.870 -0.934 0.000 1.087 363 L CA 0.779 55.168 54.840 -0.751 0.000 0.767 363 L CB 0.170 41.676 42.059 -0.921 0.000 0.917 363 L HN 0.238 nan 8.230 nan 0.000 0.441 364 Y N -0.162 119.947 120.300 -0.319 0.000 2.553 364 Y HA 0.287 4.837 4.550 -0.001 0.000 0.369 364 Y C -2.238 173.396 175.900 -0.445 0.000 0.964 364 Y CA -2.626 55.091 58.100 -0.639 0.000 1.156 364 Y CB 0.035 37.713 38.460 -1.303 0.000 1.218 364 Y HN -0.041 nan 8.280 nan 0.000 0.630 365 P HA 0.155 nan 4.420 nan 0.000 0.281 365 P C -2.408 174.900 177.300 0.014 0.000 1.286 365 P CA -1.604 61.430 63.100 -0.110 0.000 0.772 365 P CB 2.029 33.658 31.700 -0.119 0.000 0.862 366 P HA -0.111 nan 4.420 nan 0.000 0.215 366 P C 0.438 177.751 177.300 0.022 0.000 1.153 366 P CA 1.644 64.819 63.100 0.125 0.000 0.853 366 P CB 0.063 31.806 31.700 0.071 0.000 0.788 367 A N 0.282 123.038 122.820 -0.108 0.000 2.341 367 A HA 0.201 4.521 4.320 -0.001 0.000 0.326 367 A C 0.898 178.358 177.584 -0.205 0.000 1.402 367 A CA -0.860 51.047 52.037 -0.216 0.000 0.957 367 A CB -0.495 18.358 19.000 -0.245 0.000 1.151 367 A HN 0.302 nan 8.150 nan 0.000 0.533 368 W N 2.639 123.915 121.300 -0.040 0.000 2.525 368 W HA 0.315 4.974 4.660 -0.001 0.000 0.259 368 W C 0.230 176.723 176.519 -0.044 0.000 1.253 368 W CA 0.646 57.966 57.345 -0.040 0.000 1.262 368 W CB -0.430 29.002 29.460 -0.046 0.000 1.122 368 W HN 0.804 nan 8.180 nan 0.000 0.607 369 G N -0.342 108.273 108.800 -0.308 0.000 2.512 369 G HA2 0.319 4.278 3.960 -0.001 0.000 0.181 369 G HA3 0.319 4.278 3.960 -0.001 0.000 0.181 369 G C -1.229 173.471 174.900 -0.333 0.000 1.173 369 G CA 0.080 45.124 45.100 -0.092 0.000 0.988 369 G HN 0.152 nan 8.290 nan 0.000 0.485 370 T N -1.157 113.295 114.554 -0.171 0.000 2.739 370 T HA 0.680 5.029 4.350 -0.001 0.000 0.303 370 T C -2.074 172.524 174.700 -0.171 0.000 1.389 370 T CA -0.480 61.550 62.100 -0.117 0.000 1.001 370 T CB 1.244 70.130 68.868 0.030 0.000 1.436 370 T HN 0.626 nan 8.240 nan 0.000 0.500 371 F N 1.701 121.830 119.950 0.298 0.000 2.551 371 F HA 0.743 5.270 4.527 -0.001 0.000 0.316 371 F C 0.481 176.460 175.800 0.298 0.000 1.089 371 F CA -1.085 57.099 58.000 0.306 0.000 0.915 371 F CB 1.712 40.836 39.000 0.207 0.000 1.186 371 F HN 0.134 nan 8.300 nan 0.000 0.456 372 R N 2.177 122.969 120.500 0.487 0.000 2.562 372 R HA 0.492 4.831 4.340 -0.001 0.000 0.298 372 R C -1.319 175.110 176.300 0.215 0.000 0.961 372 R CA -1.216 55.070 56.100 0.310 0.000 0.881 372 R CB 2.309 32.766 30.300 0.262 0.000 1.159 372 R HN 0.593 nan 8.270 nan 0.000 0.450 373 L N 3.492 124.828 121.223 0.188 0.000 2.319 373 L HA 0.264 4.603 4.340 -0.001 0.000 0.280 373 L C -0.687 176.263 176.870 0.132 0.000 1.099 373 L CA -0.356 54.562 54.840 0.130 0.000 0.828 373 L CB 0.473 42.602 42.059 0.117 0.000 1.150 373 L HN 0.493 nan 8.230 nan 0.000 0.442 374 L N 5.098 126.354 121.223 0.055 0.000 2.270 374 L HA 0.321 4.660 4.340 -0.001 0.000 0.286 374 L C 1.044 177.965 176.870 0.085 0.000 1.059 374 L CA 0.536 55.414 54.840 0.063 0.000 0.839 374 L CB 0.492 42.505 42.059 -0.076 0.000 1.221 374 L HN 0.821 nan 8.230 nan 0.000 0.431 375 E N 2.461 122.736 120.200 0.125 0.000 2.072 375 E HA -0.062 4.287 4.350 -0.001 0.000 0.191 375 E C -0.168 176.471 176.600 0.065 0.000 0.985 375 E CA 1.112 57.560 56.400 0.080 0.000 0.801 375 E CB 0.231 29.971 29.700 0.067 0.000 0.750 375 E HN 0.685 nan 8.360 nan 0.000 0.452 376 E N 0.885 121.135 120.200 0.083 0.000 2.221 376 E HA 0.161 4.511 4.350 -0.001 0.000 0.268 376 E C -0.702 175.937 176.600 0.065 0.000 0.933 376 E CA -0.499 55.940 56.400 0.065 0.000 0.809 376 E CB 1.635 31.375 29.700 0.067 0.000 1.190 376 E HN 0.048 nan 8.360 nan 0.000 0.406 377 E N 1.380 121.606 120.200 0.044 0.000 2.502 377 E HA -0.011 4.338 4.350 -0.001 0.000 0.261 377 E C -0.981 175.653 176.600 0.057 0.000 0.974 377 E CA 0.722 57.145 56.400 0.038 0.000 0.936 377 E CB 0.496 30.211 29.700 0.024 0.000 0.926 377 E HN 0.345 nan 8.360 nan 0.000 0.459 378 T N 3.845 118.436 114.554 0.061 0.000 2.868 378 T HA 0.294 4.643 4.350 -0.001 0.000 0.306 378 T C -1.051 173.692 174.700 0.072 0.000 1.224 378 T CA -0.792 61.361 62.100 0.089 0.000 1.012 378 T CB 0.971 69.935 68.868 0.161 0.000 1.221 378 T HN 0.420 nan 8.240 nan 0.000 0.499 379 L N 2.502 123.767 121.223 0.070 0.000 2.261 379 L HA 0.593 4.932 4.340 -0.001 0.000 0.289 379 L C -1.128 175.786 176.870 0.073 0.000 1.059 379 L CA -0.216 54.656 54.840 0.053 0.000 0.816 379 L CB -0.098 41.982 42.059 0.034 0.000 1.191 379 L HN 0.549 nan 8.230 nan 0.000 0.431 380 I N 4.932 125.546 120.570 0.074 0.000 2.382 380 I HA 0.272 4.441 4.170 -0.001 0.000 0.285 380 I C -0.377 175.774 176.117 0.058 0.000 1.007 380 I CA -0.659 60.699 61.300 0.098 0.000 1.142 380 I CB 1.099 39.182 38.000 0.139 0.000 1.289 380 I HN 0.568 nan 8.210 nan 0.000 0.453 381 D N 5.423 125.851 120.400 0.047 0.000 2.699 381 D HA -0.184 4.455 4.640 -0.001 0.000 0.239 381 D C 1.139 177.455 176.300 0.026 0.000 1.136 381 D CA 1.481 55.502 54.000 0.035 0.000 0.668 381 D CB -0.821 40.007 40.800 0.046 0.000 1.060 381 D HN 1.155 nan 8.370 nan 0.000 0.429 382 G N -1.778 107.035 108.800 0.021 0.000 2.155 382 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.257 382 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.257 382 G C 0.300 175.208 174.900 0.013 0.000 0.983 382 G CA 0.413 45.522 45.100 0.015 0.000 0.676 382 G HN 0.640 nan 8.290 nan 0.000 0.528 383 V N 0.325 120.249 119.914 0.015 0.000 2.444 383 V HA 0.499 4.619 4.120 -0.001 0.000 0.294 383 V C 0.737 176.835 176.094 0.008 0.000 1.022 383 V CA -1.020 61.284 62.300 0.006 0.000 0.850 383 V CB 1.726 33.549 31.823 -0.001 0.000 0.992 383 V HN 0.400 nan 8.190 nan 0.000 0.426 384 R N 3.491 123.992 120.500 0.001 0.000 2.296 384 R HA 0.470 4.810 4.340 -0.001 0.000 0.323 384 R C -1.031 175.265 176.300 -0.007 0.000 1.067 384 R CA -0.123 55.979 56.100 0.003 0.000 0.946 384 R CB 0.676 30.976 30.300 0.000 0.000 0.991 384 R HN 0.589 nan 8.270 nan 0.000 0.448 385 V N 7.982 127.894 119.914 -0.002 0.000 2.398 385 V HA 0.358 4.478 4.120 -0.001 0.000 0.286 385 V C -1.928 174.160 176.094 -0.011 0.000 1.026 385 V CA -2.077 60.211 62.300 -0.020 0.000 0.868 385 V CB 1.471 33.271 31.823 -0.039 0.000 0.982 385 V HN 0.822 nan 8.190 nan 0.000 0.443 386 P HA 0.165 nan 4.420 nan 0.000 0.271 386 P C 0.406 177.704 177.300 -0.004 0.000 1.216 386 P CA 0.211 63.306 63.100 -0.008 0.000 0.776 386 P CB 0.842 32.533 31.700 -0.014 0.000 0.881 387 G N 2.055 110.860 108.800 0.009 0.000 2.690 387 G HA2 -0.060 3.899 3.960 -0.001 0.000 0.239 387 G HA3 -0.060 3.899 3.960 -0.001 0.000 0.239 387 G C 0.478 175.386 174.900 0.013 0.000 1.233 387 G CA -0.042 45.069 45.100 0.019 0.000 0.847 387 G HN 0.764 nan 8.290 nan 0.000 0.588 388 N N -1.559 117.154 118.700 0.021 0.000 2.740 388 N HA -0.182 4.558 4.740 -0.001 0.000 0.248 388 N C -0.185 175.329 175.510 0.006 0.000 1.062 388 N CA 1.297 54.358 53.050 0.019 0.000 0.704 388 N CB -1.167 37.331 38.487 0.018 0.000 0.968 388 N HN 0.567 nan 8.380 nan 0.000 0.547 389 T N 1.340 115.892 114.554 -0.004 0.000 2.792 389 T HA 0.462 4.811 4.350 -0.001 0.000 0.280 389 T C -2.679 172.006 174.700 -0.024 0.000 0.990 389 T CA -1.239 60.847 62.100 -0.024 0.000 0.960 389 T CB 1.868 70.709 68.868 -0.046 0.000 0.939 389 T HN -0.023 nan 8.240 nan 0.000 0.439 390 P HA 0.202 nan 4.420 nan 0.000 0.270 390 P C -0.643 176.677 177.300 0.033 0.000 1.242 390 P CA -0.230 62.892 63.100 0.038 0.000 0.768 390 P CB 0.150 31.845 31.700 -0.007 0.000 0.820 391 L N 4.324 125.540 121.223 -0.012 0.000 2.290 391 L HA 0.352 4.692 4.340 -0.001 0.000 0.284 391 L C 0.691 177.439 176.870 -0.203 0.000 1.078 391 L CA -0.587 54.108 54.840 -0.242 0.000 0.815 391 L CB 0.532 42.274 42.059 -0.528 0.000 1.162 391 L HN 0.282 nan 8.230 nan 0.000 0.435 392 L N 3.954 124.964 121.223 -0.355 0.000 2.275 392 L HA 0.520 4.859 4.340 -0.001 0.000 0.288 392 L C -1.143 175.370 176.870 -0.595 0.000 1.046 392 L CA -0.171 54.415 54.840 -0.423 0.000 0.805 392 L CB 0.751 42.636 42.059 -0.290 0.000 1.193 392 L HN 0.349 nan 8.230 nan 0.000 0.426 393 F N 3.121 123.039 119.950 -0.054 0.000 2.482 393 F HA 0.441 4.968 4.527 -0.001 0.000 0.331 393 F C 0.238 176.248 175.800 0.350 0.000 1.115 393 F CA -0.542 57.550 58.000 0.153 0.000 0.955 393 F CB 2.124 41.175 39.000 0.084 0.000 1.136 393 F HN 0.323 nan 8.300 nan 0.000 0.452 394 S N 1.445 117.475 115.700 0.550 0.000 2.756 394 S HA 0.203 4.672 4.470 -0.001 0.000 0.303 394 S C 0.526 175.182 174.600 0.094 0.000 1.135 394 S CA -0.390 58.058 58.200 0.412 0.000 1.066 394 S CB 1.406 64.780 63.200 0.290 0.000 1.008 394 S HN 0.798 nan 8.310 nan 0.000 0.482 395 T N 3.664 117.982 114.554 -0.394 0.000 2.951 395 T HA -0.062 4.287 4.350 -0.001 0.000 0.268 395 T C 1.358 175.919 174.700 -0.232 0.000 1.073 395 T CA 1.318 62.925 62.100 -0.821 0.000 1.134 395 T CB -0.406 67.719 68.868 -1.238 0.000 0.884 395 T HN 0.745 nan 8.240 nan 0.000 0.479 396 Y N 1.312 121.538 120.300 -0.123 0.000 2.114 396 Y HA -0.110 4.440 4.550 -0.001 0.000 0.284 396 Y C 2.225 178.097 175.900 -0.045 0.000 1.143 396 Y CA 1.442 59.497 58.100 -0.075 0.000 1.135 396 Y CB -0.601 37.851 38.460 -0.014 0.000 0.980 396 Y HN 0.033 nan 8.280 nan 0.000 0.499 397 V N 0.647 120.693 119.914 0.220 0.000 2.261 397 V HA -0.402 3.717 4.120 -0.001 0.000 0.246 397 V C 2.411 178.588 176.094 0.139 0.000 1.047 397 V CA 2.527 64.933 62.300 0.178 0.000 1.015 397 V CB -0.719 31.224 31.823 0.201 0.000 0.642 397 V HN 0.481 nan 8.190 nan 0.000 0.446 398 M N 0.308 120.026 119.600 0.196 0.000 2.149 398 M HA -0.113 4.366 4.480 -0.001 0.000 0.261 398 M C 2.211 178.758 176.300 0.411 0.000 1.064 398 M CA 2.082 57.593 55.300 0.353 0.000 1.102 398 M CB -0.892 31.892 32.600 0.307 0.000 1.369 398 M HN 0.496 nan 8.290 nan 0.000 0.408 399 G N -0.010 108.879 108.800 0.148 0.000 2.471 399 G HA2 -0.162 3.798 3.960 -0.001 0.000 0.219 399 G HA3 -0.162 3.798 3.960 -0.001 0.000 0.219 399 G C 1.540 176.358 174.900 -0.136 0.000 1.125 399 G CA 0.431 45.480 45.100 -0.086 0.000 0.775 399 G HN 0.418 nan 8.290 nan 0.000 0.548 400 R N -0.851 119.585 120.500 -0.107 0.000 2.427 400 R HA 0.363 4.702 4.340 -0.001 0.000 0.262 400 R C 0.195 176.497 176.300 0.003 0.000 0.943 400 R CA -0.268 55.757 56.100 -0.125 0.000 1.081 400 R CB 0.317 30.454 30.300 -0.271 0.000 1.166 400 R HN 0.284 nan 8.270 nan 0.000 0.534 401 M N 1.688 121.358 119.600 0.118 0.000 2.144 401 M HA 0.038 4.517 4.480 -0.001 0.000 0.356 401 M C 0.453 176.752 176.300 -0.001 0.000 1.217 401 M CA -0.361 54.958 55.300 0.032 0.000 1.087 401 M CB 1.441 34.028 32.600 -0.022 0.000 1.609 401 M HN 0.034 nan 8.290 nan 0.000 0.467 402 D N 0.626 120.990 120.400 -0.060 0.000 2.350 402 D HA -0.116 4.523 4.640 -0.001 0.000 0.216 402 D C 1.126 177.337 176.300 -0.149 0.000 0.968 402 D CA 1.111 55.074 54.000 -0.062 0.000 0.894 402 D CB -0.470 40.298 40.800 -0.054 0.000 0.909 402 D HN 0.504 nan 8.370 nan 0.000 0.520 403 T N -0.563 113.809 114.554 -0.303 0.000 2.833 403 T HA -0.138 4.211 4.350 -0.001 0.000 0.269 403 T C 0.801 175.224 174.700 -0.463 0.000 1.054 403 T CA 1.220 63.035 62.100 -0.475 0.000 1.135 403 T CB -0.246 68.138 68.868 -0.807 0.000 0.869 403 T HN 0.285 nan 8.240 nan 0.000 0.466 404 Y N -1.389 118.829 120.300 -0.137 0.000 2.535 404 Y HA 0.470 5.019 4.550 -0.001 0.000 0.264 404 Y C 0.181 175.650 175.900 -0.718 0.000 1.087 404 Y CA -1.537 56.327 58.100 -0.394 0.000 1.285 404 Y CB 0.433 38.647 38.460 -0.411 0.000 1.200 404 Y HN 0.091 nan 8.280 nan 0.000 0.514 405 F N 0.943 120.918 119.950 0.042 0.000 2.536 405 F HA 0.316 4.842 4.527 -0.001 0.000 0.322 405 F C 0.084 175.846 175.800 -0.064 0.000 1.144 405 F CA -1.557 56.422 58.000 -0.036 0.000 0.924 405 F CB 1.419 40.384 39.000 -0.058 0.000 1.181 405 F HN -0.226 nan 8.300 nan 0.000 0.438 406 E N 2.196 122.438 120.200 0.071 0.000 2.392 406 E HA 0.023 4.372 4.350 -0.001 0.000 0.264 406 E C -0.524 176.091 176.600 0.026 0.000 1.024 406 E CA -0.031 56.380 56.400 0.018 0.000 0.903 406 E CB 0.417 30.110 29.700 -0.011 0.000 0.963 406 E HN 0.692 nan 8.360 nan 0.000 0.432 407 D N 3.926 124.328 120.400 0.003 0.000 2.890 407 D HA -0.140 4.499 4.640 -0.001 0.000 0.226 407 D C -1.859 174.434 176.300 -0.013 0.000 1.207 407 D CA 0.308 54.303 54.000 -0.008 0.000 0.764 407 D CB 0.187 40.979 40.800 -0.013 0.000 0.948 407 D HN 0.413 nan 8.370 nan 0.000 0.404 408 P HA -0.147 nan 4.420 nan 0.000 0.218 408 P C 1.610 178.849 177.300 -0.101 0.000 1.149 408 P CA 0.842 63.922 63.100 -0.034 0.000 0.817 408 P CB 0.150 31.842 31.700 -0.012 0.000 0.785 409 L N -1.345 119.832 121.223 -0.076 0.000 2.552 409 L HA 0.045 4.384 4.340 -0.001 0.000 0.227 409 L C 0.632 177.476 176.870 -0.043 0.000 1.146 409 L CA 0.474 55.266 54.840 -0.080 0.000 0.858 409 L CB -0.918 41.106 42.059 -0.060 0.000 0.969 409 L HN -0.095 nan 8.230 nan 0.000 0.451 410 T N 0.593 115.128 114.554 -0.031 0.000 2.761 410 T HA 0.102 4.452 4.350 -0.001 0.000 0.296 410 T C -0.346 174.368 174.700 0.023 0.000 0.934 410 T CA -0.230 61.875 62.100 0.008 0.000 1.091 410 T CB 0.338 69.204 68.868 -0.003 0.000 0.896 410 T HN -0.060 nan 8.240 nan 0.000 0.515 411 F N 5.195 125.113 119.950 -0.053 0.000 2.462 411 F HA 0.327 4.853 4.527 -0.001 0.000 0.360 411 F C 0.477 176.273 175.800 -0.007 0.000 1.134 411 F CA -0.583 57.397 58.000 -0.033 0.000 1.148 411 F CB 0.059 39.065 39.000 0.010 0.000 1.147 411 F HN 0.426 nan 8.300 nan 0.000 0.550 412 N N 8.009 126.501 118.700 -0.348 0.000 2.640 412 N HA 0.374 5.113 4.740 -0.001 0.000 0.262 412 N C -2.433 172.918 175.510 -0.264 0.000 1.174 412 N CA -2.230 50.699 53.050 -0.201 0.000 0.791 412 N CB 1.577 40.009 38.487 -0.090 0.000 1.279 412 N HN 0.115 nan 8.380 nan 0.000 0.535 413 P HA -0.037 nan 4.420 nan 0.000 0.222 413 P C 0.339 177.636 177.300 -0.005 0.000 1.147 413 P CA 0.847 63.826 63.100 -0.202 0.000 0.790 413 P CB 0.369 31.880 31.700 -0.315 0.000 0.780 414 D N -0.562 119.859 120.400 0.035 0.000 2.309 414 D HA -0.116 4.524 4.640 -0.001 0.000 0.212 414 D C 1.808 178.091 176.300 -0.028 0.000 0.968 414 D CA 0.653 54.684 54.000 0.052 0.000 0.882 414 D CB -0.306 40.526 40.800 0.053 0.000 0.918 414 D HN 0.261 nan 8.370 nan 0.000 0.503 415 R N -0.347 120.090 120.500 -0.105 0.000 2.159 415 R HA -0.109 4.230 4.340 -0.001 0.000 0.237 415 R C 1.139 177.169 176.300 -0.450 0.000 1.131 415 R CA 0.811 56.740 56.100 -0.284 0.000 0.982 415 R CB -0.187 29.857 30.300 -0.426 0.000 0.868 415 R HN 0.223 nan 8.270 nan 0.000 0.453 416 F N -0.057 119.828 119.950 -0.108 0.000 2.647 416 F HA 0.280 4.806 4.527 -0.001 0.000 0.300 416 F C 1.419 177.196 175.800 -0.039 0.000 1.106 416 F CA -0.586 57.359 58.000 -0.091 0.000 1.313 416 F CB 0.344 39.266 39.000 -0.129 0.000 1.007 416 F HN -0.061 nan 8.300 nan 0.000 0.536 417 G N 2.005 110.855 108.800 0.084 0.000 2.630 417 G HA2 0.202 4.162 3.960 -0.001 0.000 0.236 417 G HA3 0.202 4.162 3.960 -0.001 0.000 0.236 417 G C -2.306 172.631 174.900 0.061 0.000 1.248 417 G CA -0.840 44.310 45.100 0.084 0.000 0.844 417 G HN -0.071 nan 8.290 nan 0.000 0.588 418 P HA 0.205 nan 4.420 nan 0.000 0.267 418 P C 0.892 178.208 177.300 0.027 0.000 1.205 418 P CA 1.018 64.146 63.100 0.046 0.000 0.765 418 P CB 1.139 32.867 31.700 0.047 0.000 0.828 419 G N 1.986 110.797 108.800 0.018 0.000 2.279 419 G HA2 -0.161 3.798 3.960 -0.001 0.000 0.223 419 G HA3 -0.161 3.798 3.960 -0.001 0.000 0.223 419 G C 0.325 175.219 174.900 -0.010 0.000 1.015 419 G CA 0.032 45.135 45.100 0.005 0.000 0.621 419 G HN 0.871 nan 8.290 nan 0.000 0.506 420 A N 1.990 124.799 122.820 -0.019 0.000 2.401 420 A HA 0.660 4.980 4.320 -0.001 0.000 0.259 420 A C -1.300 176.251 177.584 -0.054 0.000 1.103 420 A CA -0.574 51.432 52.037 -0.051 0.000 0.789 420 A CB -0.014 18.932 19.000 -0.089 0.000 1.035 420 A HN 0.270 nan 8.150 nan 0.000 0.491 421 P HA 0.069 nan 4.420 nan 0.000 0.264 421 P C -0.443 176.808 177.300 -0.080 0.000 1.183 421 P CA 0.268 63.334 63.100 -0.058 0.000 0.763 421 P CB 0.343 32.005 31.700 -0.063 0.000 0.807 422 K N 3.895 124.266 120.400 -0.049 0.000 2.326 422 K HA 0.225 4.545 4.320 -0.001 0.000 0.275 422 K C -1.852 174.711 176.600 -0.061 0.000 1.018 422 K CA -1.398 54.870 56.287 -0.032 0.000 0.962 422 K CB -0.356 32.153 32.500 0.014 0.000 0.953 422 K HN 0.420 nan 8.250 nan 0.000 0.475 423 P HA -0.022 nan 4.420 nan 0.000 0.265 423 P C -0.857 176.403 177.300 -0.067 0.000 1.187 423 P CA 0.276 63.352 63.100 -0.041 0.000 0.766 423 P CB 0.476 32.251 31.700 0.125 0.000 0.820 424 R N 2.685 123.127 120.500 -0.096 0.000 2.278 424 R HA 0.300 4.639 4.340 -0.001 0.000 0.322 424 R C -0.124 176.164 176.300 -0.019 0.000 1.058 424 R CA -0.577 55.439 56.100 -0.140 0.000 0.991 424 R CB -0.349 29.965 30.300 0.023 0.000 1.140 424 R HN 0.451 nan 8.270 nan 0.000 0.518 425 F N -0.113 119.872 119.950 0.058 0.000 3.034 425 F HA -0.299 4.227 4.527 -0.002 0.000 0.286 425 F C 1.351 177.213 175.800 0.103 0.000 0.804 425 F CA 1.285 59.316 58.000 0.051 0.000 1.161 425 F CB -1.742 37.234 39.000 -0.040 0.000 1.317 425 F HN 0.490 nan 8.300 nan 0.000 0.453 426 T N -3.852 110.829 114.554 0.211 0.000 3.085 426 T HA 0.315 4.665 4.350 -0.001 0.000 0.264 426 T C -0.390 174.585 174.700 0.459 0.000 1.019 426 T CA 0.059 62.259 62.100 0.167 0.000 0.910 426 T CB 0.343 69.109 68.868 -0.170 0.000 1.059 426 T HN 0.378 nan 8.240 nan 0.000 0.542 427 Y N 1.716 122.232 120.300 0.360 0.000 2.323 427 Y HA 0.496 5.046 4.550 -0.001 0.000 0.322 427 Y C -2.145 173.940 175.900 0.307 0.000 1.133 427 Y CA -2.584 55.651 58.100 0.225 0.000 1.093 427 Y CB 1.051 39.698 38.460 0.311 0.000 1.203 427 Y HN 0.237 nan 8.280 nan 0.000 0.427 428 F N 6.299 126.075 119.950 -0.291 0.000 2.706 428 F HA 0.482 5.008 4.527 -0.002 0.000 0.365 428 F C -2.718 172.898 175.800 -0.307 0.000 1.469 428 F CA -1.956 55.891 58.000 -0.255 0.000 1.110 428 F CB 0.549 39.511 39.000 -0.063 0.000 1.893 428 F HN 0.132 nan 8.300 nan 0.000 0.573 429 P HA 0.009 nan 4.420 nan 0.000 0.237 429 P C 0.238 177.158 177.300 -0.632 0.000 1.178 429 P CA 1.004 63.746 63.100 -0.596 0.000 0.766 429 P CB -0.055 31.185 31.700 -0.766 0.000 0.876 430 F N -1.221 118.643 119.950 -0.143 0.000 2.775 430 F HA 0.307 4.833 4.527 -0.001 0.000 0.313 430 F C 1.198 176.974 175.800 -0.040 0.000 1.121 430 F CA -0.168 57.777 58.000 -0.091 0.000 1.206 430 F CB 0.077 39.028 39.000 -0.082 0.000 1.052 430 F HN -0.172 nan 8.300 nan 0.000 0.524 431 S N 0.443 116.237 115.700 0.157 0.000 3.513 431 S HA -0.157 4.312 4.470 -0.001 0.000 0.636 431 S C -0.845 173.805 174.600 0.084 0.000 2.452 431 S CA 0.273 58.559 58.200 0.144 0.000 2.644 431 S CB -0.701 62.512 63.200 0.021 0.000 0.331 431 S HN 0.258 nan 8.310 nan 0.000 1.787 432 L N 0.549 121.750 121.223 -0.037 0.000 2.540 432 L HA 0.675 5.014 4.340 -0.001 0.000 0.256 432 L C 0.794 177.631 176.870 -0.055 0.000 1.001 432 L CA -0.145 54.677 54.840 -0.030 0.000 0.843 432 L CB 1.623 43.646 42.059 -0.060 0.000 1.436 432 L HN 1.692 nan 8.230 nan 0.000 0.410 433 G N 0.731 109.543 108.800 0.020 0.000 2.553 433 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.242 433 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.242 433 G C 0.631 175.580 174.900 0.081 0.000 1.277 433 G CA 0.488 45.626 45.100 0.064 0.000 0.910 433 G HN 1.076 nan 8.290 nan 0.000 0.576 434 H N 0.878 119.969 119.070 0.035 0.000 2.428 434 H HA 0.090 4.645 4.556 -0.001 0.000 0.296 434 H C 1.968 177.294 175.328 -0.004 0.000 1.062 434 H CA 1.469 57.588 56.048 0.118 0.000 1.350 434 H CB -0.080 29.815 29.762 0.222 0.000 1.403 434 H HN 0.373 nan 8.280 nan 0.000 0.533 435 R N 2.363 122.438 120.500 -0.709 0.000 2.363 435 R HA 0.101 4.440 4.340 -0.001 0.000 0.236 435 R C 0.616 176.779 176.300 -0.227 0.000 0.966 435 R CA 0.321 56.069 56.100 -0.587 0.000 1.100 435 R CB -0.525 29.315 30.300 -0.768 0.000 1.125 435 R HN 0.482 nan 8.270 nan 0.000 0.514 436 S N -0.380 115.263 115.700 -0.095 0.000 2.580 436 S HA -0.033 4.437 4.470 -0.001 0.000 0.266 436 S C 0.752 175.359 174.600 0.013 0.000 1.354 436 S CA -0.739 57.453 58.200 -0.014 0.000 1.008 436 S CB 1.015 64.231 63.200 0.026 0.000 0.898 436 S HN 0.384 nan 8.310 nan 0.000 0.555 437 C N 3.785 123.114 119.300 0.047 0.000 2.648 437 C HA 0.161 4.620 4.460 -0.001 0.000 0.406 437 C C 1.784 176.745 174.990 -0.049 0.000 1.406 437 C CA -0.521 58.519 59.018 0.037 0.000 1.610 437 C CB -2.214 25.650 27.740 0.208 0.000 2.451 437 C HN 0.953 nan 8.230 nan 0.000 0.608 438 I N 4.588 125.083 120.570 -0.126 0.000 2.567 438 I HA -0.009 4.160 4.170 -0.001 0.000 0.257 438 I C 2.011 177.788 176.117 -0.566 0.000 1.184 438 I CA 1.810 62.916 61.300 -0.324 0.000 1.451 438 I CB -0.085 37.714 38.000 -0.334 0.000 1.089 438 I HN 0.950 nan 8.210 nan 0.000 0.441 439 G N -0.409 108.199 108.800 -0.320 0.000 3.189 439 G HA2 -0.086 3.873 3.960 -0.001 0.000 0.225 439 G HA3 -0.086 3.873 3.960 -0.001 0.000 0.225 439 G C 1.229 176.168 174.900 0.065 0.000 1.159 439 G CA -0.119 44.898 45.100 -0.138 0.000 0.763 439 G HN 0.410 nan 8.290 nan 0.000 0.549 440 Q N -0.045 119.712 119.800 -0.072 0.000 2.014 440 Q HA -0.269 4.070 4.340 -0.001 0.000 0.207 440 Q C 2.450 178.346 176.000 -0.174 0.000 0.993 440 Q CA 2.075 57.660 55.803 -0.364 0.000 0.850 440 Q CB 0.020 28.333 28.738 -0.708 0.000 0.916 440 Q HN 0.414 nan 8.270 nan 0.000 0.417 441 Q N -0.238 119.559 119.800 -0.004 0.000 2.079 441 Q HA -0.106 4.233 4.340 -0.001 0.000 0.200 441 Q C 1.682 177.847 176.000 0.274 0.000 0.974 441 Q CA 1.678 57.546 55.803 0.108 0.000 0.840 441 Q CB -0.493 28.341 28.738 0.161 0.000 0.898 441 Q HN 0.506 nan 8.270 nan 0.000 0.430 442 F N 0.589 120.686 119.950 0.244 0.000 2.087 442 F HA -0.336 4.190 4.527 -0.001 0.000 0.299 442 F C 1.940 177.849 175.800 0.181 0.000 1.100 442 F CA 1.364 59.571 58.000 0.345 0.000 1.226 442 F CB -0.111 39.190 39.000 0.501 0.000 0.983 442 F HN 0.125 nan 8.300 nan 0.000 0.479 443 A N 0.007 123.139 122.820 0.519 0.000 1.855 443 A HA -0.218 4.101 4.320 -0.001 0.000 0.215 443 A C 2.042 179.745 177.584 0.198 0.000 1.191 443 A CA 1.667 53.926 52.037 0.370 0.000 0.613 443 A CB -0.954 18.293 19.000 0.411 0.000 0.829 443 A HN 0.596 nan 8.150 nan 0.000 0.442 444 Q N -0.907 118.987 119.800 0.157 0.000 2.135 444 Q HA -0.178 4.161 4.340 -0.001 0.000 0.204 444 Q C 2.174 178.185 176.000 0.018 0.000 0.981 444 Q CA 1.782 57.643 55.803 0.097 0.000 0.856 444 Q CB -0.328 28.427 28.738 0.027 0.000 0.902 444 Q HN 0.725 nan 8.270 nan 0.000 0.425 445 M N 0.471 120.078 119.600 0.011 0.000 2.064 445 M HA -0.199 4.280 4.480 -0.001 0.000 0.260 445 M C 2.315 178.442 176.300 -0.288 0.000 1.073 445 M CA 1.853 57.132 55.300 -0.037 0.000 1.124 445 M CB -0.418 32.295 32.600 0.190 0.000 1.326 445 M HN 0.230 nan 8.290 nan 0.000 0.410 446 E N 0.806 120.561 120.200 -0.742 0.000 2.085 446 E HA -0.203 4.146 4.350 -0.001 0.000 0.194 446 E C 1.805 178.162 176.600 -0.405 0.000 0.994 446 E CA 2.064 57.823 56.400 -1.068 0.000 0.801 446 E CB -0.710 28.252 29.700 -1.230 0.000 0.743 446 E HN 0.488 nan 8.360 nan 0.000 0.453 447 V N -0.431 119.363 119.914 -0.200 0.000 2.548 447 V HA -0.102 4.017 4.120 -0.001 0.000 0.249 447 V C 2.190 178.220 176.094 -0.108 0.000 1.055 447 V CA 1.741 63.971 62.300 -0.116 0.000 1.065 447 V CB -0.488 31.307 31.823 -0.047 0.000 0.681 447 V HN 0.088 nan 8.190 nan 0.000 0.462 448 K N 0.180 120.526 120.400 -0.090 0.000 2.057 448 K HA -0.046 4.273 4.320 -0.001 0.000 0.207 448 K C 2.138 178.692 176.600 -0.078 0.000 1.049 448 K CA 1.748 57.991 56.287 -0.073 0.000 0.931 448 K CB -0.354 32.107 32.500 -0.065 0.000 0.714 448 K HN 0.487 nan 8.250 nan 0.000 0.440 449 V N 0.612 120.465 119.914 -0.101 0.000 2.307 449 V HA -0.229 3.890 4.120 -0.001 0.000 0.245 449 V C 2.206 178.261 176.094 -0.065 0.000 1.045 449 V CA 1.493 63.745 62.300 -0.080 0.000 1.024 449 V CB -0.287 31.498 31.823 -0.064 0.000 0.651 449 V HN 0.083 nan 8.190 nan 0.000 0.449 450 V N -0.484 119.381 119.914 -0.083 0.000 2.255 450 V HA -0.333 3.786 4.120 -0.001 0.000 0.247 450 V C 2.532 178.602 176.094 -0.039 0.000 1.051 450 V CA 2.165 64.433 62.300 -0.053 0.000 1.018 450 V CB -0.668 31.114 31.823 -0.068 0.000 0.641 450 V HN 0.405 nan 8.190 nan 0.000 0.445 451 M N -0.297 119.267 119.600 -0.060 0.000 2.159 451 M HA -0.107 4.372 4.480 -0.001 0.000 0.263 451 M C 2.424 178.718 176.300 -0.010 0.000 1.063 451 M CA 2.123 57.395 55.300 -0.047 0.000 1.110 451 M CB -1.537 31.020 32.600 -0.071 0.000 1.374 451 M HN 0.429 nan 8.290 nan 0.000 0.411 452 A N 0.556 123.367 122.820 -0.015 0.000 1.883 452 A HA -0.200 4.119 4.320 -0.001 0.000 0.217 452 A C 2.292 179.886 177.584 0.017 0.000 1.186 452 A CA 1.791 53.829 52.037 0.002 0.000 0.624 452 A CB -0.551 18.440 19.000 -0.015 0.000 0.822 452 A HN 0.488 nan 8.150 nan 0.000 0.444 453 K N -0.451 119.956 120.400 0.013 0.000 2.057 453 K HA 0.001 4.321 4.320 -0.001 0.000 0.206 453 K C 1.914 178.548 176.600 0.056 0.000 1.050 453 K CA 1.222 57.525 56.287 0.028 0.000 0.935 453 K CB -0.398 32.113 32.500 0.019 0.000 0.715 453 K HN 0.472 nan 8.250 nan 0.000 0.439 454 L N 0.896 122.166 121.223 0.078 0.000 2.042 454 L HA -0.210 4.129 4.340 -0.001 0.000 0.210 454 L C 2.363 179.326 176.870 0.155 0.000 1.076 454 L CA 1.190 56.123 54.840 0.155 0.000 0.749 454 L CB -0.475 41.699 42.059 0.192 0.000 0.893 454 L HN 0.158 nan 8.230 nan 0.000 0.432 455 L N -0.924 120.363 121.223 0.107 0.000 2.201 455 L HA -0.199 4.141 4.340 -0.001 0.000 0.212 455 L C 2.643 179.557 176.870 0.073 0.000 1.105 455 L CA 1.006 55.905 54.840 0.099 0.000 0.775 455 L CB -0.353 41.752 42.059 0.077 0.000 0.913 455 L HN 0.308 nan 8.230 nan 0.000 0.440 456 Q N -0.631 119.203 119.800 0.057 0.000 2.119 456 Q HA -0.116 4.223 4.340 -0.001 0.000 0.201 456 Q C 1.986 178.006 176.000 0.033 0.000 0.972 456 Q CA 1.113 56.940 55.803 0.041 0.000 0.847 456 Q CB 0.211 28.970 28.738 0.034 0.000 0.903 456 Q HN 0.424 nan 8.270 nan 0.000 0.433 457 R N -1.379 119.141 120.500 0.034 0.000 2.342 457 R HA 0.294 4.633 4.340 -0.001 0.000 0.204 457 R C 0.222 176.507 176.300 -0.025 0.000 0.882 457 R CA 0.283 56.389 56.100 0.009 0.000 1.041 457 R CB 0.834 31.141 30.300 0.012 0.000 1.188 457 R HN 0.097 nan 8.270 nan 0.000 0.598 458 L N 0.845 122.051 121.223 -0.028 0.000 2.350 458 L HA 0.428 4.768 4.340 -0.001 0.000 0.260 458 L C -0.714 176.066 176.870 -0.150 0.000 1.015 458 L CA -0.727 54.013 54.840 -0.167 0.000 0.821 458 L CB 2.819 44.667 42.059 -0.352 0.000 1.370 458 L HN -0.142 nan 8.230 nan 0.000 0.416 459 E N 0.984 121.020 120.200 -0.274 0.000 2.266 459 E HA 0.600 4.949 4.350 -0.001 0.000 0.268 459 E C -1.721 174.691 176.600 -0.314 0.000 0.879 459 E CA -0.625 55.702 56.400 -0.122 0.000 0.762 459 E CB 2.560 32.243 29.700 -0.030 0.000 1.199 459 E HN 0.177 nan 8.360 nan 0.000 0.422 460 F N 0.801 120.749 119.950 -0.003 0.000 2.522 460 F HA 0.539 5.065 4.527 -0.001 0.000 0.324 460 F C 0.171 175.967 175.800 -0.007 0.000 1.077 460 F CA -0.867 57.126 58.000 -0.011 0.000 0.944 460 F CB 1.601 40.587 39.000 -0.023 0.000 1.175 460 F HN 0.097 nan 8.300 nan 0.000 0.468 461 R N 1.956 122.551 120.500 0.159 0.000 2.502 461 R HA 0.467 4.806 4.340 -0.001 0.000 0.300 461 R C -1.501 174.844 176.300 0.076 0.000 0.984 461 R CA -1.128 55.030 56.100 0.096 0.000 0.882 461 R CB 2.210 32.541 30.300 0.051 0.000 1.180 461 R HN 0.508 nan 8.270 nan 0.000 0.444 462 L N 3.665 124.918 121.223 0.050 0.000 2.455 462 L HA 0.073 4.412 4.340 -0.001 0.000 0.272 462 L C -0.160 176.705 176.870 -0.009 0.000 1.174 462 L CA 0.283 55.117 54.840 -0.012 0.000 0.869 462 L CB 0.935 42.953 42.059 -0.068 0.000 1.130 462 L HN 0.339 nan 8.230 nan 0.000 0.474 463 V N 8.104 128.003 119.914 -0.024 0.000 2.617 463 V HA 0.046 4.165 4.120 -0.001 0.000 0.304 463 V C -1.754 174.327 176.094 -0.021 0.000 1.040 463 V CA -0.973 61.316 62.300 -0.019 0.000 1.149 463 V CB 0.089 31.897 31.823 -0.025 0.000 0.914 463 V HN 0.786 nan 8.190 nan 0.000 0.487 464 P HA 0.200 nan 4.420 nan 0.000 0.264 464 P C 0.938 178.234 177.300 -0.006 0.000 1.183 464 P CA 1.463 64.566 63.100 0.005 0.000 0.763 464 P CB 0.468 32.174 31.700 0.010 0.000 0.807 465 G N 1.333 110.133 108.800 -0.001 0.000 2.254 465 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.225 465 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.225 465 G C 0.069 174.948 174.900 -0.035 0.000 1.003 465 G CA -0.480 44.615 45.100 -0.009 0.000 0.622 465 G HN 0.526 nan 8.290 nan 0.000 0.507 466 Q N 1.591 121.348 119.800 -0.072 0.000 2.289 466 Q HA 0.379 4.718 4.340 -0.001 0.000 0.273 466 Q C 0.903 176.786 176.000 -0.194 0.000 1.029 466 Q CA 0.501 56.216 55.803 -0.147 0.000 0.896 466 Q CB 0.584 29.199 28.738 -0.204 0.000 1.182 466 Q HN 0.625 nan 8.270 nan 0.000 0.385 467 R N 1.260 121.660 120.500 -0.168 0.000 2.549 467 R HA 0.320 4.659 4.340 -0.001 0.000 0.267 467 R C 0.390 176.553 176.300 -0.229 0.000 1.045 467 R CA -0.335 55.709 56.100 -0.093 0.000 1.115 467 R CB 0.574 30.872 30.300 -0.003 0.000 1.121 467 R HN 0.494 nan 8.270 nan 0.000 0.543 468 F N -0.383 119.567 119.950 0.001 0.000 2.695 468 F HA 0.241 4.767 4.527 -0.001 0.000 0.303 468 F C 1.483 177.320 175.800 0.062 0.000 1.091 468 F CA -0.315 57.691 58.000 0.011 0.000 1.300 468 F CB 0.542 39.556 39.000 0.023 0.000 1.071 468 F HN 0.650 nan 8.300 nan 0.000 0.578 469 G N 0.483 109.399 108.800 0.194 0.000 2.653 469 G HA2 0.415 4.374 3.960 -0.001 0.000 0.265 469 G HA3 0.415 4.374 3.960 -0.001 0.000 0.265 469 G C -0.858 174.148 174.900 0.175 0.000 1.237 469 G CA -0.209 44.995 45.100 0.174 0.000 0.946 469 G HN -0.054 nan 8.290 nan 0.000 0.522 470 L N -0.764 120.568 121.223 0.182 0.000 2.319 470 L HA 0.490 4.829 4.340 -0.001 0.000 0.267 470 L C 0.243 177.169 176.870 0.093 0.000 1.011 470 L CA -0.620 54.345 54.840 0.208 0.000 0.818 470 L CB 2.200 44.435 42.059 0.293 0.000 1.316 470 L HN 0.791 nan 8.230 nan 0.000 0.432 471 Q N -0.092 119.754 119.800 0.075 0.000 2.387 471 Q HA 0.648 4.987 4.340 -0.001 0.000 0.273 471 Q C -1.118 174.910 176.000 0.046 0.000 1.089 471 Q CA -0.851 54.970 55.803 0.029 0.000 0.824 471 Q CB 2.493 31.232 28.738 0.002 0.000 1.367 471 Q HN 0.501 nan 8.270 nan 0.000 0.443 472 E N 1.653 121.868 120.200 0.024 0.000 2.102 472 E HA 0.114 4.463 4.350 -0.001 0.000 0.263 472 E C -0.468 176.165 176.600 0.056 0.000 0.894 472 E CA -0.279 56.155 56.400 0.057 0.000 0.746 472 E CB 0.815 30.542 29.700 0.046 0.000 1.129 472 E HN 0.574 nan 8.360 nan 0.000 0.416 473 Q N 2.196 122.027 119.800 0.051 0.000 2.986 473 Q HA 0.225 4.564 4.340 -0.001 0.000 0.310 473 Q C 1.409 177.426 176.000 0.029 0.000 1.148 473 Q CA 0.613 56.434 55.803 0.030 0.000 0.373 473 Q CB -0.736 28.009 28.738 0.012 0.000 5.539 473 Q HN 0.601 nan 8.270 nan 0.000 0.325 474 A N 0.465 123.287 122.820 0.002 0.000 2.119 474 A HA 0.050 4.370 4.320 -0.001 0.000 0.216 474 A C 0.870 178.450 177.584 -0.007 0.000 1.152 474 A CA 1.451 53.470 52.037 -0.030 0.000 0.708 474 A CB -0.240 18.739 19.000 -0.034 0.000 0.805 474 A HN 0.617 nan 8.150 nan 0.000 0.460 475 T N -3.905 110.668 114.554 0.032 0.000 2.787 475 T HA 0.604 4.954 4.350 -0.001 0.000 0.297 475 T C -0.523 174.256 174.700 0.131 0.000 1.221 475 T CA -0.889 61.247 62.100 0.059 0.000 1.006 475 T CB 0.690 69.564 68.868 0.010 0.000 1.328 475 T HN 0.081 nan 8.240 nan 0.000 0.509 476 L N 1.856 123.204 121.223 0.207 0.000 2.397 476 L HA 0.590 4.930 4.340 -0.001 0.000 0.271 476 L C 0.454 177.524 176.870 0.334 0.000 1.148 476 L CA -0.454 54.558 54.840 0.285 0.000 0.825 476 L CB 0.369 42.628 42.059 0.334 0.000 1.117 476 L HN 0.854 nan 8.230 nan 0.000 0.456 477 K N 1.975 122.497 120.400 0.204 0.000 2.579 477 K HA 0.572 4.891 4.320 -0.001 0.000 0.284 477 K C -3.122 173.245 176.600 -0.389 0.000 0.990 477 K CA -2.023 54.073 56.287 -0.318 0.000 0.880 477 K CB 1.541 33.898 32.500 -0.238 0.000 1.488 477 K HN 0.052 nan 8.250 nan 0.000 0.425 478 P HA -0.029 nan 4.420 nan 0.000 0.268 478 P C 0.595 177.785 177.300 -0.184 0.000 1.205 478 P CA -0.460 62.411 63.100 -0.382 0.000 0.771 478 P CB 0.436 31.853 31.700 -0.471 0.000 0.858 479 L N 3.083 124.260 121.223 -0.078 0.000 1.994 479 L HA -0.058 4.282 4.340 -0.001 0.000 0.208 479 L C 0.371 177.188 176.870 -0.088 0.000 1.071 479 L CA 2.069 56.876 54.840 -0.055 0.000 0.745 479 L CB -0.800 41.251 42.059 -0.013 0.000 0.892 479 L HN 0.271 nan 8.230 nan 0.000 0.431 480 D N 0.274 120.605 120.400 -0.115 0.000 2.264 480 D HA 0.229 4.869 4.640 -0.001 0.000 0.249 480 D C -1.793 174.407 176.300 -0.167 0.000 1.070 480 D CA -1.912 52.010 54.000 -0.130 0.000 0.912 480 D CB 0.860 41.575 40.800 -0.141 0.000 1.193 480 D HN 0.165 nan 8.370 nan 0.000 0.427 481 P HA -0.045 nan 4.420 nan 0.000 0.251 481 P C -0.056 177.143 177.300 -0.168 0.000 1.251 481 P CA 0.173 63.183 63.100 -0.150 0.000 0.763 481 P CB 0.120 31.756 31.700 -0.108 0.000 1.067 482 V N -2.469 117.327 119.914 -0.197 0.000 5.767 482 V HA -0.244 3.875 4.120 -0.001 0.000 0.311 482 V C 0.686 176.696 176.094 -0.140 0.000 0.532 482 V CA 0.278 62.451 62.300 -0.210 0.000 0.659 482 V CB -2.803 28.873 31.823 -0.244 0.000 0.353 482 V HN 0.246 nan 8.190 nan 0.000 1.082 483 L N 0.658 121.812 121.223 -0.114 0.000 2.534 483 L HA 0.242 4.581 4.340 -0.001 0.000 0.271 483 L C 0.427 177.274 176.870 -0.038 0.000 1.178 483 L CA 0.541 55.344 54.840 -0.062 0.000 0.907 483 L CB 0.528 42.554 42.059 -0.054 0.000 1.164 483 L HN 0.589 nan 8.230 nan 0.000 0.482 484 C N 1.606 120.915 119.300 0.015 0.000 2.712 484 C HA 0.644 5.103 4.460 -0.001 0.000 0.308 484 C C 0.525 175.550 174.990 0.059 0.000 1.201 484 C CA -0.752 58.307 59.018 0.069 0.000 1.554 484 C CB 1.984 29.848 27.740 0.207 0.000 2.117 484 C HN 0.827 nan 8.230 nan 0.000 0.480 485 T N 0.394 114.972 114.554 0.040 0.000 2.943 485 T HA 0.861 5.211 4.350 -0.001 0.000 0.284 485 T C -0.954 173.724 174.700 -0.036 0.000 1.015 485 T CA -0.514 61.587 62.100 0.003 0.000 1.042 485 T CB 0.965 69.830 68.868 -0.005 0.000 1.055 485 T HN 0.362 nan 8.240 nan 0.000 0.500 486 L N 1.311 122.475 121.223 -0.099 0.000 2.388 486 L HA 0.732 5.071 4.340 -0.001 0.000 0.264 486 L C 0.028 176.792 176.870 -0.176 0.000 0.998 486 L CA -0.784 53.917 54.840 -0.232 0.000 0.817 486 L CB 2.338 44.224 42.059 -0.288 0.000 1.338 486 L HN 0.648 nan 8.230 nan 0.000 0.414 487 R N 1.207 121.581 120.500 -0.210 0.000 2.771 487 R HA 0.574 4.913 4.340 -0.001 0.000 0.274 487 R C -2.727 173.484 176.300 -0.148 0.000 0.987 487 R CA -2.145 53.874 56.100 -0.134 0.000 0.908 487 R CB 1.892 32.140 30.300 -0.088 0.000 1.213 487 R HN 0.230 nan 8.270 nan 0.000 0.468 488 P HA 0.112 nan 4.420 nan 0.000 0.269 488 P C -0.013 177.251 177.300 -0.061 0.000 1.209 488 P CA -0.213 62.841 63.100 -0.077 0.000 0.776 488 P CB 0.697 32.368 31.700 -0.048 0.000 0.876 489 R N 0.000 120.472 120.500 -0.046 0.000 2.786 489 R HA 0.000 4.339 4.340 -0.001 0.000 0.208 489 R CA 0.000 56.086 56.100 -0.023 0.000 0.921 489 R CB 0.000 30.298 30.300 -0.003 0.000 0.687 489 R HN 0.000 nan 8.270 nan 0.000 0.535