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 1req_1_B DATA FIRST_RESID 20 DATA SEQUENCE TLSLAGDFPK ATEEQWEREV EKVLNRGRPP EKQLTFAECL KRLTVHTVDG DATA SEQUENCE IDIVPMYRPK DAPKKLGYPG VAPFTRGTTV RNGDMDAWDV RALHEDPDEK DATA SEQUENCE FTRKAILEGL ERGVTSLLLR VDPDAIAPEH LDEVLSDVLL EMTKVEVFSR DATA SEQUENCE YDQGAAAEAL VSVYERSDKP AKDLALNLGL DPIGFAALQG TEPDLTVLGD DATA SEQUENCE WVRRLAKFSP DSRAVTIDAN IYHNAGAGDV AELAWALATG AEYVRALVEQ DATA SEQUENCE GFTATEAFDT INFRVTATHD QFLTIARLRA LREAWARIGE VFGVDEDKRG DATA SEQUENCE ARQNAITSWR ELTREDPYVN ILRGSIATFS ASVGGAESIT TLPFTQALGL DATA SEQUENCE PEDDFPLRIA RNTGIVLAEE VNIGRVNDPA GGSYYVESLT RSLADAAWKE DATA SEQUENCE FQEVEKLGGM SKAVMTEHVT KVLDACNAER AKRLANRKQP ITAVSEFPMI DATA SEQUENCE GARSIETKPF PAAPARKGLA WHRDSEVFEQ LMDRSTSVSE RPKVFLACLG DATA SEQUENCE TRRDFGGREG FSSPVWHIAG IDTPQVEGGT TAEIVEAFKK SGAQVADLCS DATA SEQUENCE SAKVYAQQGL EVAKALKAAG AKALYLSGAF KEFGDDAAEA EKLIDGRLFM DATA SEQUENCE GMDVVDTLSS TLDILGVAK 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 20 T HA 0.000 nan 4.350 nan 0.000 0.228 20 T C 0.000 174.702 174.700 0.004 0.000 1.109 20 T CA 0.000 62.102 62.100 0.004 0.000 1.349 20 T CB 0.000 68.869 68.868 0.001 0.000 0.612 21 L N 3.984 125.211 121.223 0.007 0.000 2.534 21 L HA 0.640 4.980 4.340 0.001 0.000 0.271 21 L C 0.290 177.166 176.870 0.011 0.000 1.178 21 L CA 0.225 55.070 54.840 0.008 0.000 0.907 21 L CB 0.805 42.871 42.059 0.012 0.000 1.164 21 L HN 0.391 nan 8.230 nan 0.000 0.482 22 S N 5.177 120.880 115.700 0.005 0.000 2.465 22 S HA 0.463 4.933 4.470 0.001 0.000 0.279 22 S C 0.630 175.241 174.600 0.020 0.000 1.201 22 S CA -0.615 57.588 58.200 0.005 0.000 1.053 22 S CB 0.349 63.539 63.200 -0.017 0.000 0.953 22 S HN 0.771 nan 8.310 nan 0.000 0.488 23 L N 4.428 125.682 121.223 0.053 0.000 2.919 23 L HA 0.383 4.724 4.340 0.001 0.000 0.169 23 L C 2.528 179.517 176.870 0.198 0.000 1.228 23 L CA 0.499 55.403 54.840 0.106 0.000 0.862 23 L CB -1.012 41.098 42.059 0.086 0.000 1.313 23 L HN 0.704 nan 8.230 nan 0.000 0.526 24 A N 0.299 123.223 122.820 0.174 0.000 2.066 24 A HA -0.026 4.295 4.320 0.001 0.000 0.218 24 A C 2.032 179.732 177.584 0.194 0.000 1.157 24 A CA 1.397 53.573 52.037 0.231 0.000 0.670 24 A CB -1.043 18.031 19.000 0.122 0.000 0.804 24 A HN 0.499 nan 8.150 nan 0.000 0.453 25 G N -0.580 108.274 108.800 0.090 0.000 2.625 25 G HA2 -0.072 3.888 3.960 0.001 0.000 0.214 25 G HA3 -0.072 3.888 3.960 0.001 0.000 0.214 25 G C 0.655 175.532 174.900 -0.039 0.000 1.132 25 G CA 0.881 46.001 45.100 0.033 0.000 0.782 25 G HN 0.445 nan 8.290 nan 0.000 0.538 26 D N -0.418 119.895 120.400 -0.146 0.000 2.347 26 D HA 0.126 4.767 4.640 0.001 0.000 0.215 26 D C 0.122 176.038 176.300 -0.640 0.000 0.976 26 D CA 0.321 54.072 54.000 -0.414 0.000 0.884 26 D CB 0.136 40.566 40.800 -0.616 0.000 0.915 26 D HN 0.293 nan 8.370 nan 0.000 0.526 27 F N -0.168 119.784 119.950 0.002 0.000 2.598 27 F HA 0.437 4.965 4.527 0.001 0.000 0.327 27 F C -1.806 173.995 175.800 0.001 0.000 1.057 27 F CA -2.745 55.257 58.000 0.003 0.000 0.957 27 F CB 0.301 39.304 39.000 0.004 0.000 1.278 27 F HN -0.367 nan 8.300 nan 0.000 0.484 28 P HA 0.180 nan 4.420 nan 0.000 0.267 28 P C -0.626 176.736 177.300 0.103 0.000 1.200 28 P CA -0.380 62.787 63.100 0.112 0.000 0.772 28 P CB 0.113 31.867 31.700 0.089 0.000 0.855 29 K N 1.553 121.990 120.400 0.062 0.000 2.382 29 K HA 0.456 4.777 4.320 0.001 0.000 0.286 29 K C 0.583 177.203 176.600 0.032 0.000 1.062 29 K CA 0.110 56.424 56.287 0.044 0.000 1.000 29 K CB -0.777 31.738 32.500 0.025 0.000 0.954 29 K HN 0.690 nan 8.250 nan 0.000 0.470 30 A N 2.880 125.716 122.820 0.027 0.000 2.425 30 A HA 0.576 4.897 4.320 0.001 0.000 0.249 30 A C 0.865 178.449 177.584 -0.000 0.000 1.084 30 A CA 0.494 52.539 52.037 0.013 0.000 0.781 30 A CB -0.016 18.984 19.000 -0.000 0.000 1.019 30 A HN 1.294 nan 8.150 nan 0.000 0.490 31 T N -1.068 113.489 114.554 0.005 0.000 2.930 31 T HA 0.488 4.839 4.350 0.001 0.000 0.290 31 T C 0.735 175.440 174.700 0.008 0.000 1.052 31 T CA 0.008 62.104 62.100 -0.006 0.000 1.017 31 T CB 1.474 70.338 68.868 -0.006 0.000 1.137 31 T HN 0.601 nan 8.240 nan 0.000 0.511 32 E N 0.941 121.132 120.200 -0.015 0.000 2.070 32 E HA -0.155 4.196 4.350 0.001 0.000 0.197 32 E C 2.376 178.976 176.600 0.000 0.000 1.004 32 E CA 2.664 59.063 56.400 -0.002 0.000 0.805 32 E CB -0.832 28.838 29.700 -0.051 0.000 0.744 32 E HN 0.882 nan 8.360 nan 0.000 0.451 33 E N 0.640 120.819 120.200 -0.036 0.000 2.085 33 E HA -0.287 4.063 4.350 0.001 0.000 0.194 33 E C 2.000 178.574 176.600 -0.044 0.000 0.994 33 E CA 1.791 58.156 56.400 -0.058 0.000 0.801 33 E CB -0.913 28.765 29.700 -0.035 0.000 0.743 33 E HN 0.631 nan 8.360 nan 0.000 0.453 34 Q N -1.715 118.084 119.800 -0.002 0.000 2.084 34 Q HA -0.120 4.220 4.340 0.001 0.000 0.202 34 Q C 2.157 178.178 176.000 0.034 0.000 0.978 34 Q CA 1.625 57.434 55.803 0.011 0.000 0.844 34 Q CB -0.306 28.449 28.738 0.028 0.000 0.898 34 Q HN 0.814 nan 8.270 nan 0.000 0.426 35 W N 1.979 123.205 121.300 -0.122 0.000 2.381 35 W HA -0.125 4.535 4.660 0.001 0.000 0.301 35 W C 1.504 177.932 176.519 -0.153 0.000 1.205 35 W CA 1.399 58.670 57.345 -0.123 0.000 1.285 35 W CB 0.063 29.445 29.460 -0.131 0.000 1.133 35 W HN 0.071 nan 8.180 nan 0.000 0.521 36 E N -0.016 119.974 120.200 -0.350 0.000 2.085 36 E HA -0.263 4.088 4.350 0.001 0.000 0.194 36 E C 2.202 178.619 176.600 -0.306 0.000 0.994 36 E CA 1.603 57.608 56.400 -0.658 0.000 0.801 36 E CB -0.371 28.900 29.700 -0.714 0.000 0.743 36 E HN 0.333 nan 8.360 nan 0.000 0.453 37 R N 0.653 121.045 120.500 -0.180 0.000 2.091 37 R HA -0.135 4.206 4.340 0.001 0.000 0.238 37 R C 2.215 178.442 176.300 -0.122 0.000 1.136 37 R CA 1.093 57.130 56.100 -0.106 0.000 0.959 37 R CB -0.090 30.170 30.300 -0.067 0.000 0.856 37 R HN 0.173 nan 8.270 nan 0.000 0.437 38 E N 0.315 120.420 120.200 -0.158 0.000 2.106 38 E HA -0.128 4.223 4.350 0.001 0.000 0.192 38 E C 2.170 178.637 176.600 -0.221 0.000 0.984 38 E CA 0.966 57.272 56.400 -0.156 0.000 0.806 38 E CB -0.175 29.453 29.700 -0.119 0.000 0.750 38 E HN 0.156 nan 8.360 nan 0.000 0.458 39 V N 1.637 121.319 119.914 -0.387 0.000 2.295 39 V HA -0.257 3.864 4.120 0.001 0.000 0.246 39 V C 2.235 178.238 176.094 -0.152 0.000 1.049 39 V CA 1.916 64.026 62.300 -0.316 0.000 1.024 39 V CB -0.526 31.039 31.823 -0.432 0.000 0.648 39 V HN 0.221 nan 8.190 nan 0.000 0.447 40 E N 0.126 120.269 120.200 -0.095 0.000 2.038 40 E HA -0.261 4.090 4.350 0.001 0.000 0.195 40 E C 2.292 178.855 176.600 -0.061 0.000 1.000 40 E CA 1.569 57.935 56.400 -0.056 0.000 0.803 40 E CB -0.207 29.477 29.700 -0.026 0.000 0.750 40 E HN 0.576 nan 8.360 nan 0.000 0.448 41 K N 0.252 120.614 120.400 -0.065 0.000 2.034 41 K HA -0.215 4.106 4.320 0.001 0.000 0.214 41 K C 2.186 178.754 176.600 -0.053 0.000 1.051 41 K CA 1.823 58.078 56.287 -0.053 0.000 0.931 41 K CB -0.349 32.121 32.500 -0.050 0.000 0.715 41 K HN 0.024 nan 8.250 nan 0.000 0.446 42 V N 1.093 120.969 119.914 -0.064 0.000 2.358 42 V HA -0.198 3.923 4.120 0.001 0.000 0.246 42 V C 2.028 178.091 176.094 -0.052 0.000 1.047 42 V CA 1.486 63.753 62.300 -0.054 0.000 1.035 42 V CB -0.370 31.418 31.823 -0.059 0.000 0.658 42 V HN 0.180 nan 8.190 nan 0.000 0.452 43 L N 0.247 121.432 121.223 -0.064 0.000 2.418 43 L HA 0.085 4.426 4.340 0.001 0.000 0.218 43 L C 1.925 178.765 176.870 -0.050 0.000 1.125 43 L CA 1.166 55.971 54.840 -0.059 0.000 0.835 43 L CB -0.946 41.068 42.059 -0.075 0.000 0.953 43 L HN 0.296 nan 8.230 nan 0.000 0.454 44 N N -0.353 118.319 118.700 -0.046 0.000 2.463 44 N HA -0.028 4.712 4.740 0.001 0.000 0.181 44 N C 1.710 177.201 175.510 -0.031 0.000 1.078 44 N CA 0.120 53.148 53.050 -0.037 0.000 0.902 44 N CB 0.056 38.522 38.487 -0.034 0.000 0.970 44 N HN 0.244 nan 8.380 nan 0.000 0.451 45 R N 0.152 120.633 120.500 -0.031 0.000 2.261 45 R HA -0.189 4.152 4.340 0.001 0.000 0.241 45 R C 1.318 177.605 176.300 -0.022 0.000 1.113 45 R CA 2.011 58.095 56.100 -0.026 0.000 0.908 45 R CB -0.606 29.679 30.300 -0.025 0.000 0.938 45 R HN 0.199 nan 8.270 nan 0.000 0.427 46 G N -0.182 108.605 108.800 -0.021 0.000 4.222 46 G HA2 0.189 4.149 3.960 0.001 0.000 0.301 46 G HA3 0.189 4.149 3.960 0.001 0.000 0.301 46 G C -0.556 174.333 174.900 -0.018 0.000 1.171 46 G CA -0.517 44.572 45.100 -0.018 0.000 0.937 46 G HN 0.071 nan 8.290 nan 0.000 0.557 47 R N 1.473 121.961 120.500 -0.020 0.000 2.297 47 R HA 0.331 4.672 4.340 0.001 0.000 0.308 47 R C -2.315 173.975 176.300 -0.017 0.000 1.029 47 R CA -1.526 54.562 56.100 -0.020 0.000 0.929 47 R CB 1.275 31.561 30.300 -0.024 0.000 1.046 47 R HN 0.132 nan 8.270 nan 0.000 0.461 48 P HA 0.040 nan 4.420 nan 0.000 0.269 48 P C -2.114 175.178 177.300 -0.013 0.000 1.217 48 P CA -1.248 61.844 63.100 -0.013 0.000 0.783 48 P CB 0.192 31.886 31.700 -0.011 0.000 0.898 49 P HA -0.155 nan 4.420 nan 0.000 0.219 49 P C 0.576 177.870 177.300 -0.011 0.000 1.144 49 P CA 1.654 64.747 63.100 -0.011 0.000 0.806 49 P CB 0.069 31.764 31.700 -0.009 0.000 0.771 50 E N -1.524 118.670 120.200 -0.011 0.000 2.651 50 E HA 0.103 4.453 4.350 0.001 0.000 0.213 50 E C 0.179 176.772 176.600 -0.012 0.000 1.028 50 E CA -0.040 56.354 56.400 -0.010 0.000 1.183 50 E CB 0.261 29.955 29.700 -0.009 0.000 1.188 50 E HN -0.031 nan 8.360 nan 0.000 0.444 51 K N 0.421 120.812 120.400 -0.014 0.000 2.644 51 K HA 0.164 4.485 4.320 0.001 0.000 0.198 51 K C -0.031 176.557 176.600 -0.021 0.000 1.113 51 K CA -0.278 55.998 56.287 -0.017 0.000 1.073 51 K CB 0.705 33.194 32.500 -0.017 0.000 0.811 51 K HN 0.105 nan 8.250 nan 0.000 0.508 52 Q N 0.828 120.616 119.800 -0.020 0.000 2.313 52 Q HA 0.314 4.655 4.340 0.001 0.000 0.266 52 Q C 0.046 176.031 176.000 -0.026 0.000 0.989 52 Q CA 0.154 55.943 55.803 -0.022 0.000 0.890 52 Q CB 0.696 29.423 28.738 -0.018 0.000 1.200 52 Q HN 0.378 nan 8.270 nan 0.000 0.396 53 L N 2.361 123.563 121.223 -0.034 0.000 2.312 53 L HA 0.311 4.652 4.340 0.001 0.000 0.281 53 L C 0.980 177.827 176.870 -0.038 0.000 1.070 53 L CA -0.612 54.202 54.840 -0.044 0.000 0.805 53 L CB 0.921 42.942 42.059 -0.063 0.000 1.174 53 L HN 0.628 nan 8.230 nan 0.000 0.434 54 T N -1.648 112.886 114.554 -0.034 0.000 2.788 54 T HA 0.118 4.469 4.350 0.001 0.000 0.280 54 T C 0.876 175.568 174.700 -0.012 0.000 0.984 54 T CA -0.450 61.648 62.100 -0.004 0.000 0.972 54 T CB 0.810 69.681 68.868 0.006 0.000 1.039 54 T HN 0.447 nan 8.240 nan 0.000 0.530 55 F N 1.394 121.300 119.950 -0.072 0.000 2.095 55 F HA -0.010 4.517 4.527 0.001 0.000 0.298 55 F C 2.595 178.356 175.800 -0.066 0.000 1.104 55 F CA 1.782 59.725 58.000 -0.095 0.000 1.232 55 F CB -1.082 37.858 39.000 -0.100 0.000 0.987 55 F HN 0.709 nan 8.300 nan 0.000 0.475 56 A N 0.185 122.921 122.820 -0.140 0.000 1.917 56 A HA -0.260 4.061 4.320 0.001 0.000 0.219 56 A C 2.101 179.541 177.584 -0.240 0.000 1.182 56 A CA 2.103 54.025 52.037 -0.191 0.000 0.633 56 A CB -0.987 18.000 19.000 -0.023 0.000 0.819 56 A HN 0.610 nan 8.150 nan 0.000 0.448 57 E N -0.803 119.292 120.200 -0.175 0.000 2.051 57 E HA -0.192 4.159 4.350 0.001 0.000 0.192 57 E C 2.124 178.593 176.600 -0.219 0.000 0.991 57 E CA 1.348 57.657 56.400 -0.152 0.000 0.799 57 E CB -0.460 29.181 29.700 -0.097 0.000 0.748 57 E HN 0.711 nan 8.360 nan 0.000 0.449 58 C N 0.856 119.973 119.300 -0.305 0.000 2.413 58 C HA -0.126 4.335 4.460 0.001 0.000 0.276 58 C C 2.648 177.377 174.990 -0.434 0.000 1.236 58 C CA 0.353 59.169 59.018 -0.337 0.000 1.735 58 C CB -0.932 26.598 27.740 -0.351 0.000 2.031 58 C HN 0.435 nan 8.230 nan 0.000 0.474 59 L N 1.613 122.382 121.223 -0.756 0.000 2.042 59 L HA -0.156 4.184 4.340 0.001 0.000 0.210 59 L C 2.432 179.146 176.870 -0.261 0.000 1.076 59 L CA 1.967 56.470 54.840 -0.561 0.000 0.749 59 L CB -0.812 40.826 42.059 -0.701 0.000 0.893 59 L HN 0.263 nan 8.230 nan 0.000 0.432 60 K N -0.609 119.673 120.400 -0.197 0.000 2.097 60 K HA -0.177 4.144 4.320 0.001 0.000 0.206 60 K C 2.215 178.778 176.600 -0.062 0.000 1.049 60 K CA 1.607 57.846 56.287 -0.080 0.000 0.933 60 K CB -0.036 32.430 32.500 -0.057 0.000 0.717 60 K HN 0.352 nan 8.250 nan 0.000 0.442 61 R N 0.172 120.615 120.500 -0.095 0.000 2.189 61 R HA -0.010 4.331 4.340 0.001 0.000 0.223 61 R C 1.819 178.071 176.300 -0.081 0.000 1.092 61 R CA 0.693 56.751 56.100 -0.070 0.000 0.989 61 R CB 0.019 30.274 30.300 -0.075 0.000 0.876 61 R HN 0.160 nan 8.270 nan 0.000 0.457 62 L N 0.383 121.542 121.223 -0.107 0.000 2.592 62 L HA 0.096 4.437 4.340 0.001 0.000 0.227 62 L C 0.000 176.812 176.870 -0.098 0.000 1.127 62 L CA 0.010 54.798 54.840 -0.087 0.000 0.884 62 L CB 0.256 42.268 42.059 -0.079 0.000 1.065 62 L HN 0.037 nan 8.230 nan 0.000 0.457 63 T N 0.446 114.919 114.554 -0.134 0.000 2.832 63 T HA 0.287 4.637 4.350 0.001 0.000 0.296 63 T C 0.058 174.522 174.700 -0.394 0.000 0.968 63 T CA -0.113 61.857 62.100 -0.215 0.000 1.107 63 T CB 2.245 71.011 68.868 -0.170 0.000 0.916 63 T HN -0.231 nan 8.240 nan 0.000 0.517 64 V N 4.914 124.620 119.914 -0.346 0.000 2.472 64 V HA 0.292 4.413 4.120 0.001 0.000 0.290 64 V C -0.296 175.569 176.094 -0.381 0.000 1.037 64 V CA -0.805 61.323 62.300 -0.288 0.000 0.908 64 V CB 1.102 32.874 31.823 -0.084 0.000 0.985 64 V HN 0.827 nan 8.190 nan 0.000 0.454 65 H N 2.707 121.806 119.070 0.048 0.000 2.638 65 H HA 0.353 4.909 4.556 0.001 0.000 0.317 65 H C 0.450 175.809 175.328 0.051 0.000 1.006 65 H CA -0.441 55.636 56.048 0.048 0.000 1.222 65 H CB 1.536 31.319 29.762 0.035 0.000 1.419 65 H HN 0.782 nan 8.280 nan 0.000 0.489 66 T N -1.304 113.336 114.554 0.145 0.000 2.701 66 T HA 0.068 4.419 4.350 0.001 0.000 0.303 66 T C 1.828 176.584 174.700 0.094 0.000 1.030 66 T CA -0.607 61.557 62.100 0.107 0.000 1.010 66 T CB 0.619 69.541 68.868 0.090 0.000 1.007 66 T HN 0.203 nan 8.240 nan 0.000 0.532 67 V N 1.853 121.809 119.914 0.071 0.000 2.324 67 V HA -0.177 3.943 4.120 0.001 0.000 0.250 67 V C 2.023 178.139 176.094 0.036 0.000 1.060 67 V CA 2.393 64.723 62.300 0.050 0.000 1.042 67 V CB -1.113 30.732 31.823 0.037 0.000 0.650 67 V HN 1.059 nan 8.190 nan 0.000 0.450 68 D N -0.119 120.298 120.400 0.028 0.000 2.413 68 D HA 0.284 4.925 4.640 0.001 0.000 0.237 68 D C 1.321 177.639 176.300 0.031 0.000 1.171 68 D CA 0.519 54.526 54.000 0.012 0.000 0.839 68 D CB -0.386 40.403 40.800 -0.019 0.000 0.950 68 D HN 0.460 nan 8.370 nan 0.000 0.499 69 G N 0.487 109.320 108.800 0.055 0.000 2.198 69 G HA2 -0.248 3.712 3.960 0.001 0.000 0.260 69 G HA3 -0.248 3.712 3.960 0.001 0.000 0.260 69 G C -0.034 174.923 174.900 0.094 0.000 1.025 69 G CA -0.160 44.981 45.100 0.069 0.000 0.769 69 G HN 0.406 nan 8.290 nan 0.000 0.507 70 I N 0.797 121.430 120.570 0.105 0.000 2.371 70 I HA 0.245 4.416 4.170 0.001 0.000 0.290 70 I C -0.128 176.086 176.117 0.162 0.000 1.028 70 I CA -0.573 60.798 61.300 0.118 0.000 1.345 70 I CB 1.005 39.063 38.000 0.096 0.000 1.407 70 I HN -0.044 nan 8.210 nan 0.000 0.501 71 D N 7.094 127.602 120.400 0.179 0.000 2.313 71 D HA 0.439 5.079 4.640 0.001 0.000 0.239 71 D C -0.093 176.295 176.300 0.147 0.000 1.142 71 D CA 0.073 54.186 54.000 0.189 0.000 0.847 71 D CB 1.065 41.993 40.800 0.213 0.000 1.082 71 D HN 0.270 nan 8.370 nan 0.000 0.480 72 I N 3.233 123.856 120.570 0.088 0.000 2.355 72 I HA 0.210 4.381 4.170 0.001 0.000 0.288 72 I C 0.277 176.433 176.117 0.065 0.000 0.999 72 I CA -1.054 60.349 61.300 0.170 0.000 1.163 72 I CB 1.388 39.500 38.000 0.188 0.000 1.316 72 I HN 0.120 nan 8.210 nan 0.000 0.454 73 V N 4.798 124.744 119.914 0.054 0.000 3.134 73 V HA 0.491 4.611 4.120 0.001 0.000 0.313 73 V C -1.738 174.278 176.094 -0.129 0.000 1.069 73 V CA -1.058 61.182 62.300 -0.101 0.000 1.048 73 V CB 0.630 32.331 31.823 -0.203 0.000 1.119 73 V HN 0.591 nan 8.190 nan 0.000 0.461 74 P HA 0.113 nan 4.420 nan 0.000 0.227 74 P C 0.153 177.405 177.300 -0.079 0.000 1.161 74 P CA 0.949 64.027 63.100 -0.038 0.000 0.788 74 P CB 0.443 32.193 31.700 0.083 0.000 0.822 75 M N -0.692 118.794 119.600 -0.191 0.000 2.386 75 M HA 0.393 4.873 4.480 0.001 0.000 0.293 75 M C -1.659 174.346 176.300 -0.491 0.000 1.120 75 M CA -0.926 54.211 55.300 -0.271 0.000 0.909 75 M CB 2.262 34.636 32.600 -0.377 0.000 1.661 75 M HN -0.300 nan 8.290 nan 0.000 0.452 76 Y N 2.070 122.326 120.300 -0.073 0.000 2.487 76 Y HA 0.692 5.242 4.550 0.001 0.000 0.337 76 Y C -0.175 175.708 175.900 -0.029 0.000 1.076 76 Y CA -0.588 57.513 58.100 0.001 0.000 1.115 76 Y CB 1.866 40.397 38.460 0.120 0.000 1.235 76 Y HN 0.578 nan 8.280 nan 0.000 0.468 77 R N 1.206 121.663 120.500 -0.071 0.000 2.888 77 R HA 0.361 4.702 4.340 0.001 0.000 0.264 77 R C -2.035 173.801 176.300 -0.773 0.000 1.045 77 R CA -2.017 53.857 56.100 -0.377 0.000 0.962 77 R CB 1.536 31.675 30.300 -0.268 0.000 1.210 77 R HN 0.291 nan 8.270 nan 0.000 0.479 78 P HA -0.240 nan 4.420 nan 0.000 0.216 78 P C 0.382 177.447 177.300 -0.392 0.000 1.150 78 P CA 1.581 64.120 63.100 -0.935 0.000 0.843 78 P CB 0.087 31.487 31.700 -0.500 0.000 0.787 79 K N -0.631 119.624 120.400 -0.241 0.000 2.442 79 K HA -0.125 4.196 4.320 0.001 0.000 0.198 79 K C 0.958 177.522 176.600 -0.059 0.000 1.044 79 K CA 1.390 57.608 56.287 -0.116 0.000 0.948 79 K CB -0.656 31.791 32.500 -0.087 0.000 0.762 79 K HN 0.075 nan 8.250 nan 0.000 0.472 80 D N 1.063 121.441 120.400 -0.037 0.000 2.347 80 D HA 0.055 4.696 4.640 0.001 0.000 0.213 80 D C 0.287 176.634 176.300 0.079 0.000 0.985 80 D CA 0.522 54.563 54.000 0.069 0.000 0.879 80 D CB 0.395 41.325 40.800 0.215 0.000 0.919 80 D HN 0.421 nan 8.370 nan 0.000 0.526 81 A N 1.634 124.493 122.820 0.066 0.000 2.320 81 A HA 0.578 4.898 4.320 0.001 0.000 0.334 81 A C -2.402 175.207 177.584 0.043 0.000 1.147 81 A CA -1.316 50.780 52.037 0.099 0.000 0.820 81 A CB 1.044 20.174 19.000 0.216 0.000 1.218 81 A HN -0.161 nan 8.150 nan 0.000 0.482 82 P HA 0.243 nan 4.420 nan 0.000 0.272 82 P C 0.086 177.393 177.300 0.012 0.000 1.230 82 P CA -0.209 62.897 63.100 0.011 0.000 0.788 82 P CB 0.834 32.534 31.700 -0.001 0.000 0.949 83 K N 0.800 121.203 120.400 0.005 0.000 2.057 83 K HA -0.039 4.282 4.320 0.001 0.000 0.206 83 K C 0.599 177.200 176.600 0.002 0.000 1.050 83 K CA 1.510 57.801 56.287 0.006 0.000 0.935 83 K CB -0.173 32.330 32.500 0.004 0.000 0.715 83 K HN 0.382 nan 8.250 nan 0.000 0.439 84 K N 1.257 121.655 120.400 -0.004 0.000 2.262 84 K HA 0.166 4.486 4.320 0.001 0.000 0.282 84 K C 0.534 177.106 176.600 -0.047 0.000 1.066 84 K CA -0.146 56.132 56.287 -0.014 0.000 0.901 84 K CB 0.967 33.471 32.500 0.006 0.000 1.089 84 K HN 0.016 nan 8.250 nan 0.000 0.476 85 L N 2.061 123.230 121.223 -0.090 0.000 2.217 85 L HA -0.006 4.334 4.340 0.001 0.000 0.211 85 L C 1.106 177.852 176.870 -0.206 0.000 1.107 85 L CA 0.652 55.412 54.840 -0.132 0.000 0.783 85 L CB -0.784 41.186 42.059 -0.148 0.000 0.919 85 L HN 1.009 nan 8.230 nan 0.000 0.442 86 G N -0.739 107.878 108.800 -0.305 0.000 2.829 86 G HA2 -0.252 3.708 3.960 0.001 0.000 0.628 86 G HA3 -0.252 3.708 3.960 0.001 0.000 0.628 86 G C -1.160 173.355 174.900 -0.643 0.000 1.412 86 G CA -0.659 44.252 45.100 -0.316 0.000 0.864 86 G HN 0.087 nan 8.290 nan 0.000 0.544 87 Y N -0.183 120.079 120.300 -0.064 0.000 2.492 87 Y HA 0.615 5.166 4.550 0.001 0.000 0.346 87 Y C -1.818 174.023 175.900 -0.097 0.000 0.997 87 Y CA -1.740 56.319 58.100 -0.069 0.000 1.025 87 Y CB 2.579 40.994 38.460 -0.074 0.000 1.263 87 Y HN 0.566 nan 8.280 nan 0.000 0.454 88 P HA 0.192 nan 4.420 nan 0.000 0.275 88 P C 0.627 177.944 177.300 0.028 0.000 1.227 88 P CA 0.568 63.690 63.100 0.037 0.000 0.781 88 P CB 1.318 33.051 31.700 0.054 0.000 0.906 89 G N 0.803 109.623 108.800 0.032 0.000 2.162 89 G HA2 -0.164 3.797 3.960 0.001 0.000 0.260 89 G HA3 -0.164 3.797 3.960 0.001 0.000 0.260 89 G C -0.223 174.531 174.900 -0.244 0.000 0.976 89 G CA 0.105 45.238 45.100 0.056 0.000 0.655 89 G HN 0.586 nan 8.290 nan 0.000 0.533 90 V N 0.010 119.532 119.914 -0.653 0.000 2.733 90 V HA 0.800 4.921 4.120 0.001 0.000 0.306 90 V C 0.700 176.192 176.094 -1.003 0.000 1.084 90 V CA -0.789 61.112 62.300 -0.664 0.000 0.905 90 V CB 1.607 33.294 31.823 -0.226 0.000 1.010 90 V HN 1.446 nan 8.190 nan 0.000 0.424 91 A N 5.937 128.284 122.820 -0.788 0.000 2.587 91 A HA 0.320 4.641 4.320 0.001 0.000 0.233 91 A C -0.861 176.633 177.584 -0.150 0.000 1.049 91 A CA -0.076 51.793 52.037 -0.281 0.000 0.754 91 A CB -0.166 18.862 19.000 0.046 0.000 0.977 91 A HN 0.785 nan 8.150 nan 0.000 0.509 92 P HA 0.122 nan 4.420 nan 0.000 0.245 92 P C 0.078 177.524 177.300 0.243 0.000 1.212 92 P CA 0.100 63.255 63.100 0.092 0.000 0.774 92 P CB -0.292 31.448 31.700 0.067 0.000 0.999 93 F N -2.063 117.924 119.950 0.062 0.000 2.935 93 F HA -0.282 4.245 4.527 0.001 0.000 0.317 93 F C 1.668 177.490 175.800 0.037 0.000 0.699 93 F CA 1.250 59.290 58.000 0.067 0.000 1.127 93 F CB -2.949 36.113 39.000 0.103 0.000 1.491 93 F HN -0.048 nan 8.300 nan 0.000 0.337 94 T N -0.440 114.197 114.554 0.139 0.000 2.635 94 T HA -0.259 4.091 4.350 0.001 0.000 0.267 94 T C 1.892 176.611 174.700 0.031 0.000 1.040 94 T CA 1.902 64.039 62.100 0.062 0.000 1.156 94 T CB -0.193 68.687 68.868 0.020 0.000 0.863 94 T HN 0.448 nan 8.240 nan 0.000 0.430 95 R N 1.240 121.747 120.500 0.010 0.000 2.237 95 R HA 0.233 4.574 4.340 0.001 0.000 0.219 95 R C 1.161 177.473 176.300 0.021 0.000 1.080 95 R CA 0.646 56.739 56.100 -0.011 0.000 0.995 95 R CB -0.111 30.160 30.300 -0.048 0.000 0.875 95 R HN 0.501 nan 8.270 nan 0.000 0.462 96 G N -1.610 107.237 108.800 0.079 0.000 2.352 96 G HA2 -0.021 3.939 3.960 0.001 0.000 0.303 96 G HA3 -0.021 3.939 3.960 0.001 0.000 0.303 96 G C -0.133 174.901 174.900 0.223 0.000 1.593 96 G CA -0.674 44.488 45.100 0.103 0.000 0.963 96 G HN -0.112 nan 8.290 nan 0.000 0.685 97 T N 0.136 114.826 114.554 0.227 0.000 2.925 97 T HA 0.213 4.563 4.350 0.001 0.000 0.245 97 T C 1.212 176.050 174.700 0.229 0.000 1.025 97 T CA 1.675 63.963 62.100 0.313 0.000 1.149 97 T CB -0.060 68.919 68.868 0.186 0.000 0.866 97 T HN 0.654 nan 8.240 nan 0.000 0.437 98 T N 3.033 117.676 114.554 0.148 0.000 2.767 98 T HA 0.530 4.880 4.350 0.001 0.000 0.288 98 T C -0.225 174.536 174.700 0.102 0.000 0.963 98 T CA -0.470 61.703 62.100 0.121 0.000 1.019 98 T CB 1.732 70.659 68.868 0.099 0.000 0.923 98 T HN -0.072 nan 8.240 nan 0.000 0.468 99 V N 4.988 124.958 119.914 0.093 0.000 2.555 99 V HA 0.215 4.336 4.120 0.001 0.000 0.286 99 V C 0.829 176.962 176.094 0.066 0.000 1.044 99 V CA -0.368 61.977 62.300 0.076 0.000 1.026 99 V CB 0.290 32.155 31.823 0.069 0.000 0.981 99 V HN 0.725 nan 8.190 nan 0.000 0.480 100 R N 3.624 124.161 120.500 0.062 0.000 2.457 100 R HA 0.278 4.618 4.340 0.001 0.000 0.284 100 R C 0.560 176.886 176.300 0.043 0.000 1.024 100 R CA -0.462 55.672 56.100 0.056 0.000 1.025 100 R CB 0.511 30.848 30.300 0.062 0.000 1.063 100 R HN 0.846 nan 8.270 nan 0.000 0.493 101 N N 0.866 119.586 118.700 0.033 0.000 2.280 101 N HA 0.069 4.810 4.740 0.001 0.000 0.192 101 N C 0.870 176.392 175.510 0.020 0.000 1.109 101 N CA 0.389 53.454 53.050 0.026 0.000 0.855 101 N CB 0.960 39.459 38.487 0.020 0.000 0.974 101 N HN 0.867 nan 8.380 nan 0.000 0.482 102 G N -0.569 108.243 108.800 0.020 0.000 2.176 102 G HA2 -0.233 3.727 3.960 0.001 0.000 0.232 102 G HA3 -0.233 3.727 3.960 0.001 0.000 0.232 102 G C -0.721 174.182 174.900 0.004 0.000 0.986 102 G CA 0.062 45.172 45.100 0.015 0.000 0.643 102 G HN 0.425 nan 8.290 nan 0.000 0.522 103 D N 0.238 120.635 120.400 -0.005 0.000 2.344 103 D HA 0.467 5.108 4.640 0.001 0.000 0.244 103 D C 2.093 178.368 176.300 -0.041 0.000 1.134 103 D CA 0.169 54.156 54.000 -0.022 0.000 0.930 103 D CB 0.617 41.400 40.800 -0.029 0.000 1.175 103 D HN 0.374 nan 8.370 nan 0.000 0.437 104 M N -0.666 118.900 119.600 -0.057 0.000 2.175 104 M HA -0.025 4.455 4.480 0.001 0.000 0.264 104 M C -0.168 176.024 176.300 -0.179 0.000 1.063 104 M CA 1.339 56.587 55.300 -0.087 0.000 1.119 104 M CB 0.143 32.699 32.600 -0.074 0.000 1.377 104 M HN -0.037 nan 8.290 nan 0.000 0.415 105 D N 2.293 122.571 120.400 -0.204 0.000 2.517 105 D HA 0.359 5.000 4.640 0.001 0.000 0.220 105 D C 0.936 177.062 176.300 -0.290 0.000 1.158 105 D CA 0.146 53.945 54.000 -0.335 0.000 0.992 105 D CB 1.219 41.867 40.800 -0.252 0.000 1.058 105 D HN 0.423 nan 8.370 nan 0.000 0.516 106 A N 2.380 125.024 122.820 -0.293 0.000 1.930 106 A HA 0.041 4.361 4.320 0.001 0.000 0.215 106 A C 0.706 178.310 177.584 0.033 0.000 1.176 106 A CA 0.463 52.467 52.037 -0.056 0.000 0.632 106 A CB -0.119 18.964 19.000 0.139 0.000 0.819 106 A HN 0.582 nan 8.150 nan 0.000 0.445 107 W N -1.339 119.951 121.300 -0.017 0.000 2.758 107 W HA 0.666 5.326 4.660 0.001 0.000 0.355 107 W C -0.880 175.632 176.519 -0.011 0.000 1.223 107 W CA -0.873 56.462 57.345 -0.018 0.000 1.182 107 W CB 0.182 29.624 29.460 -0.031 0.000 1.464 107 W HN -0.025 nan 8.180 nan 0.000 0.630 108 D N 0.582 121.124 120.400 0.236 0.000 2.274 108 D HA 0.246 4.887 4.640 0.001 0.000 0.239 108 D C -0.965 175.450 176.300 0.192 0.000 1.104 108 D CA -0.636 53.425 54.000 0.101 0.000 0.840 108 D CB 1.615 42.474 40.800 0.099 0.000 1.100 108 D HN 0.279 nan 8.370 nan 0.000 0.477 109 V N 5.666 125.628 119.914 0.079 0.000 2.405 109 V HA 0.206 4.326 4.120 0.001 0.000 0.264 109 V C 0.748 176.902 176.094 0.099 0.000 1.048 109 V CA -0.236 62.142 62.300 0.130 0.000 0.966 109 V CB 0.187 32.038 31.823 0.047 0.000 1.015 109 V HN 0.447 nan 8.190 nan 0.000 0.477 110 R N 4.512 125.075 120.500 0.106 0.000 2.246 110 R HA 0.666 5.007 4.340 0.001 0.000 0.332 110 R C -0.100 176.243 176.300 0.071 0.000 0.974 110 R CA -0.335 55.812 56.100 0.078 0.000 0.837 110 R CB 1.044 31.378 30.300 0.056 0.000 1.145 110 R HN 0.767 nan 8.270 nan 0.000 0.467 111 A N 4.568 127.441 122.820 0.090 0.000 2.331 111 A HA 0.316 4.637 4.320 0.001 0.000 0.283 111 A C -0.839 176.782 177.584 0.061 0.000 1.142 111 A CA -0.665 51.408 52.037 0.059 0.000 0.812 111 A CB 0.744 19.793 19.000 0.082 0.000 1.074 111 A HN 0.690 nan 8.150 nan 0.000 0.497 112 L N 3.529 124.734 121.223 -0.030 0.000 2.281 112 L HA 0.368 4.709 4.340 0.001 0.000 0.285 112 L C -0.579 176.212 176.870 -0.132 0.000 1.074 112 L CA 0.417 55.265 54.840 0.014 0.000 0.817 112 L CB 0.127 42.211 42.059 0.041 0.000 1.168 112 L HN 0.666 nan 8.230 nan 0.000 0.434 113 H N 5.126 124.283 119.070 0.146 0.000 2.646 113 H HA 0.351 4.908 4.556 0.001 0.000 0.328 113 H C -0.493 174.915 175.328 0.134 0.000 0.998 113 H CA -0.242 55.888 56.048 0.135 0.000 1.225 113 H CB 1.591 31.419 29.762 0.111 0.000 1.457 113 H HN 0.748 nan 8.280 nan 0.000 0.505 114 E N 1.199 121.521 120.200 0.204 0.000 2.676 114 E HA 0.005 4.355 4.350 0.001 0.000 0.225 114 E C -0.350 176.331 176.600 0.136 0.000 0.944 114 E CA -0.167 56.323 56.400 0.150 0.000 1.156 114 E CB 1.272 31.061 29.700 0.147 0.000 1.117 114 E HN 0.384 nan 8.360 nan 0.000 0.523 115 D N 2.237 122.734 120.400 0.161 0.000 2.348 115 D HA 0.030 4.670 4.640 0.001 0.000 0.253 115 D C -1.370 174.974 176.300 0.072 0.000 1.161 115 D CA -2.143 51.915 54.000 0.096 0.000 0.876 115 D CB 1.488 42.359 40.800 0.118 0.000 1.160 115 D HN -0.095 nan 8.370 nan 0.000 0.459 116 P HA -0.107 nan 4.420 nan 0.000 0.217 116 P C 0.330 177.592 177.300 -0.062 0.000 1.150 116 P CA 0.361 63.451 63.100 -0.016 0.000 0.832 116 P CB 0.083 31.773 31.700 -0.017 0.000 0.787 117 D N 0.681 121.054 120.400 -0.044 0.000 2.502 117 D HA -0.030 4.611 4.640 0.001 0.000 0.249 117 D C 1.331 177.623 176.300 -0.014 0.000 1.188 117 D CA 0.758 54.735 54.000 -0.038 0.000 0.890 117 D CB 0.703 41.505 40.800 0.003 0.000 1.140 117 D HN 0.201 nan 8.370 nan 0.000 0.505 118 E N 4.581 124.700 120.200 -0.135 0.000 2.274 118 E HA -0.147 4.204 4.350 0.001 0.000 0.194 118 E C 1.636 178.229 176.600 -0.011 0.000 0.996 118 E CA 0.750 57.080 56.400 -0.116 0.000 0.840 118 E CB -0.256 29.278 29.700 -0.278 0.000 0.772 118 E HN 0.276 nan 8.360 nan 0.000 0.491 119 K N -1.065 119.348 120.400 0.022 0.000 2.186 119 K HA 0.144 4.465 4.320 0.001 0.000 0.202 119 K C 1.818 178.455 176.600 0.061 0.000 1.052 119 K CA 0.475 56.785 56.287 0.037 0.000 0.965 119 K CB -0.498 32.026 32.500 0.040 0.000 0.746 119 K HN 0.458 nan 8.250 nan 0.000 0.457 120 F N 1.972 121.913 119.950 -0.016 0.000 2.031 120 F HA -0.251 4.277 4.527 0.001 0.000 0.295 120 F C 2.144 177.954 175.800 0.018 0.000 1.133 120 F CA 2.010 60.013 58.000 0.006 0.000 1.188 120 F CB -0.555 38.450 39.000 0.008 0.000 0.974 120 F HN -0.028 nan 8.300 nan 0.000 0.473 121 T N 0.803 115.484 114.554 0.211 0.000 2.720 121 T HA -0.246 4.105 4.350 0.001 0.000 0.268 121 T C 2.100 176.751 174.700 -0.082 0.000 1.037 121 T CA 1.639 63.806 62.100 0.112 0.000 1.144 121 T CB -0.415 68.540 68.868 0.146 0.000 0.864 121 T HN 0.252 nan 8.240 nan 0.000 0.444 122 R N 1.280 121.740 120.500 -0.067 0.000 2.080 122 R HA -0.160 4.180 4.340 0.001 0.000 0.236 122 R C 2.792 179.022 176.300 -0.115 0.000 1.137 122 R CA 2.152 58.200 56.100 -0.088 0.000 0.943 122 R CB -0.399 29.875 30.300 -0.044 0.000 0.846 122 R HN 0.411 nan 8.270 nan 0.000 0.431 123 K N 0.354 120.677 120.400 -0.129 0.000 2.032 123 K HA -0.071 4.250 4.320 0.001 0.000 0.209 123 K C 2.149 178.635 176.600 -0.190 0.000 1.048 123 K CA 1.738 57.932 56.287 -0.155 0.000 0.927 123 K CB -1.266 31.120 32.500 -0.189 0.000 0.712 123 K HN 0.524 nan 8.250 nan 0.000 0.441 124 A N 0.746 123.403 122.820 -0.271 0.000 1.877 124 A HA -0.022 4.299 4.320 0.001 0.000 0.216 124 A C 2.486 180.064 177.584 -0.011 0.000 1.186 124 A CA 1.668 53.606 52.037 -0.163 0.000 0.620 124 A CB -0.423 18.485 19.000 -0.155 0.000 0.822 124 A HN 0.510 nan 8.150 nan 0.000 0.443 125 I N -0.952 119.494 120.570 -0.206 0.000 2.091 125 I HA -0.293 3.877 4.170 0.001 0.000 0.239 125 I C 2.466 178.521 176.117 -0.103 0.000 1.061 125 I CA 1.718 62.823 61.300 -0.325 0.000 1.317 125 I CB -0.278 37.468 38.000 -0.424 0.000 1.031 125 I HN 0.433 nan 8.210 nan 0.000 0.401 126 L N 0.808 121.974 121.223 -0.095 0.000 2.012 126 L HA -0.261 4.080 4.340 0.001 0.000 0.210 126 L C 2.445 179.296 176.870 -0.031 0.000 1.073 126 L CA 2.085 56.891 54.840 -0.056 0.000 0.748 126 L CB -0.704 41.320 42.059 -0.057 0.000 0.891 126 L HN 0.289 nan 8.230 nan 0.000 0.431 127 E N -1.009 119.170 120.200 -0.035 0.000 2.085 127 E HA -0.192 4.158 4.350 0.001 0.000 0.194 127 E C 2.095 178.702 176.600 0.011 0.000 0.994 127 E CA 1.295 57.685 56.400 -0.016 0.000 0.801 127 E CB -0.542 29.138 29.700 -0.033 0.000 0.743 127 E HN 0.603 nan 8.360 nan 0.000 0.453 128 G N 1.035 109.858 108.800 0.039 0.000 2.433 128 G HA2 -0.256 3.705 3.960 0.001 0.000 0.216 128 G HA3 -0.256 3.705 3.960 0.001 0.000 0.216 128 G C 1.547 176.471 174.900 0.039 0.000 1.186 128 G CA 0.941 46.078 45.100 0.061 0.000 0.779 128 G HN 0.248 nan 8.290 nan 0.000 0.543 129 L N 0.244 121.483 121.223 0.026 0.000 2.191 129 L HA -0.027 4.313 4.340 0.001 0.000 0.212 129 L C 2.641 179.512 176.870 0.002 0.000 1.103 129 L CA 0.982 55.829 54.840 0.012 0.000 0.769 129 L CB -0.294 41.765 42.059 -0.001 0.000 0.908 129 L HN 0.295 nan 8.230 nan 0.000 0.438 130 E N -0.141 120.059 120.200 -0.001 0.000 2.482 130 E HA -0.057 4.293 4.350 0.001 0.000 0.196 130 E C 0.951 177.552 176.600 0.001 0.000 1.047 130 E CA 0.268 56.667 56.400 -0.002 0.000 0.869 130 E CB 0.222 29.919 29.700 -0.005 0.000 0.836 130 E HN 0.329 nan 8.360 nan 0.000 0.520 131 R N -0.547 119.957 120.500 0.007 0.000 2.816 131 R HA 0.191 4.531 4.340 0.001 0.000 0.382 131 R C 0.171 176.475 176.300 0.007 0.000 1.140 131 R CA 0.208 56.313 56.100 0.009 0.000 1.050 131 R CB 1.040 31.351 30.300 0.019 0.000 1.396 131 R HN 0.186 nan 8.270 nan 0.000 0.583 132 G N 0.008 108.807 108.800 -0.003 0.000 2.157 132 G HA2 -0.254 3.706 3.960 0.001 0.000 0.248 132 G HA3 -0.254 3.706 3.960 0.001 0.000 0.248 132 G C 0.178 175.073 174.900 -0.008 0.000 0.979 132 G CA -0.012 45.078 45.100 -0.016 0.000 0.650 132 G HN 0.202 nan 8.290 nan 0.000 0.529 133 V N 1.327 121.250 119.914 0.015 0.000 2.686 133 V HA 0.471 4.592 4.120 0.001 0.000 0.295 133 V C 1.662 177.768 176.094 0.020 0.000 1.055 133 V CA 1.077 63.396 62.300 0.032 0.000 1.050 133 V CB 1.416 33.278 31.823 0.065 0.000 0.984 133 V HN 0.584 nan 8.190 nan 0.000 0.482 134 T N -0.722 113.844 114.554 0.020 0.000 3.001 134 T HA 0.234 4.585 4.350 0.001 0.000 0.251 134 T C 0.446 175.164 174.700 0.030 0.000 1.040 134 T CA 0.410 62.517 62.100 0.011 0.000 0.985 134 T CB 0.233 69.094 68.868 -0.011 0.000 1.011 134 T HN 0.800 nan 8.240 nan 0.000 0.509 135 S N 0.536 116.265 115.700 0.047 0.000 2.565 135 S HA 0.699 5.170 4.470 0.001 0.000 0.269 135 S C -1.696 172.950 174.600 0.076 0.000 1.153 135 S CA -1.176 57.056 58.200 0.055 0.000 0.835 135 S CB 1.190 64.418 63.200 0.048 0.000 1.122 135 S HN 0.249 nan 8.310 nan 0.000 0.462 136 L N 1.477 122.748 121.223 0.081 0.000 2.334 136 L HA 0.740 5.080 4.340 0.001 0.000 0.276 136 L C -1.289 175.648 176.870 0.112 0.000 1.014 136 L CA -1.035 53.876 54.840 0.117 0.000 0.815 136 L CB 1.706 43.826 42.059 0.102 0.000 1.268 136 L HN 0.666 nan 8.230 nan 0.000 0.428 137 L N 3.770 125.086 121.223 0.155 0.000 2.427 137 L HA 0.523 4.864 4.340 0.001 0.000 0.264 137 L C -1.331 175.701 176.870 0.270 0.000 0.989 137 L CA -0.166 54.771 54.840 0.161 0.000 0.865 137 L CB 1.240 43.342 42.059 0.073 0.000 1.209 137 L HN 0.369 nan 8.230 nan 0.000 0.430 138 L N 4.220 125.604 121.223 0.268 0.000 2.296 138 L HA 0.531 4.872 4.340 0.001 0.000 0.286 138 L C 0.256 177.226 176.870 0.167 0.000 1.023 138 L CA -0.188 54.790 54.840 0.231 0.000 0.812 138 L CB 1.529 43.674 42.059 0.142 0.000 1.223 138 L HN 0.503 nan 8.230 nan 0.000 0.421 139 R N 2.622 123.131 120.500 0.014 0.000 2.220 139 R HA 0.461 4.802 4.340 0.001 0.000 0.340 139 R C -1.287 174.859 176.300 -0.257 0.000 1.076 139 R CA -0.257 55.562 56.100 -0.468 0.000 0.920 139 R CB 0.442 30.463 30.300 -0.466 0.000 1.062 139 R HN 0.432 nan 8.270 nan 0.000 0.469 140 V N 5.641 125.406 119.914 -0.249 0.000 2.311 140 V HA 0.340 4.460 4.120 0.001 0.000 0.275 140 V C -0.291 175.744 176.094 -0.098 0.000 1.022 140 V CA -0.244 61.992 62.300 -0.106 0.000 0.830 140 V CB 1.130 32.920 31.823 -0.054 0.000 1.012 140 V HN 0.821 nan 8.190 nan 0.000 0.452 141 D N 5.001 125.369 120.400 -0.054 0.000 2.665 141 D HA 0.377 5.018 4.640 0.001 0.000 0.287 141 D C -2.018 174.274 176.300 -0.014 0.000 1.266 141 D CA -0.930 53.069 54.000 -0.001 0.000 0.830 141 D CB 2.628 43.443 40.800 0.025 0.000 1.356 141 D HN 0.113 nan 8.370 nan 0.000 0.437 142 P HA -0.071 nan 4.420 nan 0.000 0.216 142 P C 0.452 177.689 177.300 -0.104 0.000 1.150 142 P CA 1.347 64.373 63.100 -0.124 0.000 0.837 142 P CB 0.161 31.691 31.700 -0.283 0.000 0.786 143 D N -1.535 118.811 120.400 -0.090 0.000 2.395 143 D HA 0.330 4.970 4.640 0.001 0.000 0.226 143 D C 0.695 176.996 176.300 0.001 0.000 1.146 143 D CA -0.387 53.590 54.000 -0.038 0.000 0.830 143 D CB 0.218 40.998 40.800 -0.033 0.000 0.958 143 D HN 0.129 nan 8.370 nan 0.000 0.501 144 A N 0.034 122.852 122.820 -0.005 0.000 4.367 144 A HA 0.525 4.845 4.320 0.001 0.000 0.174 144 A C -0.776 176.815 177.584 0.012 0.000 0.690 144 A CA -0.701 51.341 52.037 0.007 0.000 0.856 144 A CB 0.067 19.046 19.000 -0.034 0.000 1.848 144 A HN 0.078 nan 8.150 nan 0.000 0.887 145 I N 1.664 122.244 120.570 0.015 0.000 2.471 145 I HA 0.410 4.580 4.170 0.001 0.000 0.286 145 I C 0.842 176.988 176.117 0.048 0.000 1.079 145 I CA 0.046 61.368 61.300 0.037 0.000 1.398 145 I CB 1.245 39.275 38.000 0.050 0.000 1.403 145 I HN 0.608 nan 8.210 nan 0.000 0.530 146 A N 8.920 131.800 122.820 0.101 0.000 2.425 146 A HA 0.335 4.656 4.320 0.001 0.000 0.249 146 A C -1.465 176.175 177.584 0.094 0.000 1.084 146 A CA -1.164 50.941 52.037 0.114 0.000 0.781 146 A CB -0.125 19.007 19.000 0.220 0.000 1.019 146 A HN 0.575 nan 8.150 nan 0.000 0.490 147 P HA -0.242 nan 4.420 nan 0.000 0.217 147 P C 1.144 178.452 177.300 0.013 0.000 1.148 147 P CA 1.833 64.948 63.100 0.024 0.000 0.828 147 P CB 0.011 31.719 31.700 0.014 0.000 0.783 148 E N -0.913 119.273 120.200 -0.024 0.000 2.338 148 E HA -0.210 4.141 4.350 0.001 0.000 0.197 148 E C 1.067 177.577 176.600 -0.149 0.000 1.007 148 E CA 1.157 57.495 56.400 -0.104 0.000 0.849 148 E CB -0.890 28.695 29.700 -0.192 0.000 0.774 148 E HN 0.426 nan 8.360 nan 0.000 0.506 149 H N -0.605 118.470 119.070 0.010 0.000 2.622 149 H HA 0.140 4.697 4.556 0.001 0.000 0.269 149 H C 1.626 176.960 175.328 0.010 0.000 0.977 149 H CA -0.116 55.939 56.048 0.010 0.000 1.179 149 H CB 0.623 30.393 29.762 0.013 0.000 1.458 149 H HN 0.057 nan 8.280 nan 0.000 0.531 150 L N 1.062 122.351 121.223 0.110 0.000 2.012 150 L HA -0.205 4.135 4.340 0.001 0.000 0.210 150 L C 2.083 178.983 176.870 0.050 0.000 1.073 150 L CA 1.883 56.765 54.840 0.069 0.000 0.748 150 L CB -0.463 41.627 42.059 0.052 0.000 0.891 150 L HN 0.341 nan 8.230 nan 0.000 0.431 151 D N -0.749 119.674 120.400 0.038 0.000 2.123 151 D HA -0.271 4.369 4.640 0.001 0.000 0.196 151 D C 1.946 178.258 176.300 0.020 0.000 0.992 151 D CA 1.468 55.480 54.000 0.021 0.000 0.833 151 D CB 0.096 40.903 40.800 0.012 0.000 0.954 151 D HN 0.590 nan 8.370 nan 0.000 0.455 152 E N 0.014 120.240 120.200 0.044 0.000 2.216 152 E HA -0.105 4.246 4.350 0.001 0.000 0.192 152 E C 2.218 178.835 176.600 0.028 0.000 0.988 152 E CA 0.589 57.016 56.400 0.046 0.000 0.834 152 E CB 0.321 30.078 29.700 0.094 0.000 0.772 152 E HN 0.295 nan 8.360 nan 0.000 0.479 153 V N -1.454 118.477 119.914 0.028 0.000 3.129 153 V HA -0.003 4.118 4.120 0.001 0.000 0.259 153 V C 1.816 177.887 176.094 -0.039 0.000 1.116 153 V CA 0.655 62.949 62.300 -0.010 0.000 1.127 153 V CB -0.327 31.491 31.823 -0.009 0.000 0.742 153 V HN 0.128 nan 8.190 nan 0.000 0.474 154 L N 1.089 122.298 121.223 -0.025 0.000 2.611 154 L HA 0.173 4.514 4.340 0.001 0.000 0.229 154 L C 2.596 179.438 176.870 -0.048 0.000 1.137 154 L CA 0.823 55.640 54.840 -0.039 0.000 0.901 154 L CB -0.240 41.801 42.059 -0.030 0.000 1.098 154 L HN 0.431 nan 8.230 nan 0.000 0.456 155 S N 0.669 116.347 115.700 -0.035 0.000 2.383 155 S HA -0.216 4.254 4.470 0.001 0.000 0.229 155 S C 1.372 175.948 174.600 -0.040 0.000 1.030 155 S CA 1.765 59.945 58.200 -0.033 0.000 1.002 155 S CB -0.087 63.102 63.200 -0.019 0.000 0.829 155 S HN 0.509 nan 8.310 nan 0.000 0.467 156 D N 0.643 121.017 120.400 -0.044 0.000 2.339 156 D HA 0.140 4.781 4.640 0.001 0.000 0.217 156 D C -0.113 176.159 176.300 -0.047 0.000 1.050 156 D CA 0.098 54.072 54.000 -0.042 0.000 0.856 156 D CB 0.396 41.171 40.800 -0.041 0.000 0.922 156 D HN 0.269 nan 8.370 nan 0.000 0.518 157 V N 2.710 122.590 119.914 -0.056 0.000 2.439 157 V HA 0.040 4.161 4.120 0.001 0.000 0.271 157 V C 0.767 176.821 176.094 -0.066 0.000 1.040 157 V CA -0.246 62.020 62.300 -0.056 0.000 1.002 157 V CB 1.126 32.916 31.823 -0.056 0.000 1.000 157 V HN 0.072 nan 8.190 nan 0.000 0.477 158 L N 6.533 127.726 121.223 -0.049 0.000 2.433 158 L HA 0.185 4.526 4.340 0.001 0.000 0.284 158 L C 1.340 178.176 176.870 -0.056 0.000 1.120 158 L CA -0.137 54.673 54.840 -0.050 0.000 0.879 158 L CB 0.355 42.397 42.059 -0.028 0.000 1.232 158 L HN 0.686 nan 8.230 nan 0.000 0.454 159 L N 2.526 123.683 121.223 -0.109 0.000 2.261 159 L HA -0.192 4.148 4.340 0.001 0.000 0.216 159 L C 2.581 179.438 176.870 -0.023 0.000 1.114 159 L CA 0.966 55.719 54.840 -0.144 0.000 0.777 159 L CB -0.374 41.443 42.059 -0.404 0.000 0.910 159 L HN 0.736 nan 8.230 nan 0.000 0.440 160 E N 0.375 120.572 120.200 -0.004 0.000 2.158 160 E HA -0.249 4.101 4.350 0.001 0.000 0.191 160 E C 2.050 178.670 176.600 0.033 0.000 0.982 160 E CA 1.162 57.580 56.400 0.030 0.000 0.823 160 E CB -0.172 29.540 29.700 0.020 0.000 0.766 160 E HN 0.566 nan 8.360 nan 0.000 0.468 161 M N 0.689 120.300 119.600 0.019 0.000 2.545 161 M HA 0.091 4.571 4.480 0.001 0.000 0.264 161 M C -0.145 176.170 176.300 0.026 0.000 1.155 161 M CA 0.841 56.153 55.300 0.019 0.000 1.162 161 M CB 0.847 33.451 32.600 0.006 0.000 1.330 161 M HN -0.201 nan 8.290 nan 0.000 0.479 162 T N 1.747 116.319 114.554 0.031 0.000 2.792 162 T HA 0.274 4.625 4.350 0.001 0.000 0.280 162 T C -0.813 173.933 174.700 0.077 0.000 0.990 162 T CA -0.681 61.444 62.100 0.042 0.000 0.960 162 T CB 1.927 70.810 68.868 0.026 0.000 0.939 162 T HN 0.119 nan 8.240 nan 0.000 0.439 163 K N 2.990 123.430 120.400 0.067 0.000 2.322 163 K HA 0.434 4.755 4.320 0.001 0.000 0.283 163 K C -0.808 175.835 176.600 0.072 0.000 1.042 163 K CA -0.374 55.954 56.287 0.068 0.000 0.958 163 K CB 0.411 32.929 32.500 0.030 0.000 0.984 163 K HN 0.319 nan 8.250 nan 0.000 0.473 164 V N 4.086 124.053 119.914 0.089 0.000 2.513 164 V HA 0.291 4.412 4.120 0.001 0.000 0.299 164 V C -0.340 175.755 176.094 0.002 0.000 1.035 164 V CA -0.688 61.661 62.300 0.081 0.000 0.889 164 V CB 1.436 33.359 31.823 0.167 0.000 0.988 164 V HN 0.889 nan 8.190 nan 0.000 0.440 165 E N 3.202 123.412 120.200 0.017 0.000 2.227 165 E HA 0.775 5.125 4.350 0.001 0.000 0.268 165 E C -1.274 175.353 176.600 0.045 0.000 0.907 165 E CA -0.636 55.758 56.400 -0.010 0.000 0.786 165 E CB 2.304 31.996 29.700 -0.013 0.000 1.191 165 E HN 0.590 nan 8.360 nan 0.000 0.411 166 V N 0.571 120.504 119.914 0.031 0.000 3.001 166 V HA 0.858 4.978 4.120 0.001 0.000 0.314 166 V C -0.848 175.356 176.094 0.182 0.000 1.099 166 V CA -0.856 61.496 62.300 0.087 0.000 0.989 166 V CB 1.242 33.058 31.823 -0.011 0.000 1.040 166 V HN 0.703 nan 8.190 nan 0.000 0.434 167 F N -0.094 119.821 119.950 -0.058 0.000 2.668 167 F HA 0.928 5.455 4.527 0.001 0.000 0.309 167 F C -0.694 175.083 175.800 -0.039 0.000 1.117 167 F CA -0.866 57.096 58.000 -0.063 0.000 0.951 167 F CB 1.336 40.305 39.000 -0.052 0.000 1.323 167 F HN 0.890 nan 8.300 nan 0.000 0.451 168 S N 1.119 116.745 115.700 -0.123 0.000 2.541 168 S HA 0.543 5.014 4.470 0.001 0.000 0.271 168 S C -0.237 174.302 174.600 -0.101 0.000 1.133 168 S CA -0.781 57.297 58.200 -0.203 0.000 0.876 168 S CB 2.004 65.157 63.200 -0.079 0.000 1.105 168 S HN 0.894 nan 8.310 nan 0.000 0.470 169 R N 1.583 121.948 120.500 -0.225 0.000 2.206 169 R HA 0.181 4.521 4.340 0.001 0.000 0.198 169 R C 0.398 176.387 176.300 -0.518 0.000 0.986 169 R CA 0.752 56.594 56.100 -0.429 0.000 1.029 169 R CB 0.056 29.907 30.300 -0.749 0.000 0.966 169 R HN 0.720 nan 8.270 nan 0.000 0.487 170 Y N -0.988 119.298 120.300 -0.023 0.000 2.445 170 Y HA 0.241 4.791 4.550 0.001 0.000 0.247 170 Y C -0.225 175.817 175.900 0.237 0.000 1.129 170 Y CA -0.411 57.711 58.100 0.036 0.000 1.251 170 Y CB 0.983 39.408 38.460 -0.059 0.000 1.176 170 Y HN -0.160 nan 8.280 nan 0.000 0.522 171 D N -0.533 120.066 120.400 0.331 0.000 2.684 171 D HA 0.085 4.726 4.640 0.001 0.000 0.233 171 D C 0.209 176.500 176.300 -0.014 0.000 1.374 171 D CA 0.068 54.154 54.000 0.144 0.000 0.906 171 D CB 0.163 41.026 40.800 0.105 0.000 1.526 171 D HN 0.132 nan 8.370 nan 0.000 0.518 172 Q N 0.625 120.331 119.800 -0.156 0.000 2.079 172 Q HA -0.003 4.337 4.340 0.001 0.000 0.200 172 Q C 1.979 177.845 176.000 -0.223 0.000 0.974 172 Q CA 1.432 57.108 55.803 -0.211 0.000 0.840 172 Q CB 0.176 28.731 28.738 -0.305 0.000 0.898 172 Q HN 0.483 nan 8.270 nan 0.000 0.430 173 G N 1.249 109.955 108.800 -0.157 0.000 2.446 173 G HA2 -0.278 3.683 3.960 0.001 0.000 0.217 173 G HA3 -0.278 3.683 3.960 0.001 0.000 0.217 173 G C 1.572 176.511 174.900 0.066 0.000 1.168 173 G CA 1.049 46.169 45.100 0.033 0.000 0.771 173 G HN 0.425 nan 8.290 nan 0.000 0.551 174 A N 1.225 124.062 122.820 0.028 0.000 1.892 174 A HA 0.134 4.455 4.320 0.001 0.000 0.218 174 A C 2.845 180.429 177.584 -0.000 0.000 1.188 174 A CA 2.655 54.711 52.037 0.031 0.000 0.631 174 A CB -0.918 18.096 19.000 0.023 0.000 0.822 174 A HN 0.884 nan 8.150 nan 0.000 0.447 175 A N -0.289 122.500 122.820 -0.053 0.000 1.858 175 A HA 0.165 4.486 4.320 0.001 0.000 0.216 175 A C 2.567 180.077 177.584 -0.123 0.000 1.190 175 A CA 2.315 54.306 52.037 -0.077 0.000 0.617 175 A CB -1.217 17.720 19.000 -0.105 0.000 0.827 175 A HN 1.142 nan 8.150 nan 0.000 0.443 176 A N -0.236 122.427 122.820 -0.262 0.000 1.859 176 A HA -0.233 4.088 4.320 0.001 0.000 0.217 176 A C 1.970 179.442 177.584 -0.186 0.000 1.198 176 A CA 2.403 54.152 52.037 -0.481 0.000 0.629 176 A CB -0.743 17.552 19.000 -1.174 0.000 0.830 176 A HN 0.574 nan 8.150 nan 0.000 0.446 177 E N 0.038 120.305 120.200 0.113 0.000 2.048 177 E HA -0.181 4.170 4.350 0.001 0.000 0.202 177 E C 2.089 178.781 176.600 0.154 0.000 1.021 177 E CA 2.129 58.725 56.400 0.328 0.000 0.825 177 E CB -0.595 29.270 29.700 0.276 0.000 0.756 177 E HN 0.502 nan 8.360 nan 0.000 0.454 178 A N 0.239 123.106 122.820 0.079 0.000 1.873 178 A HA -0.206 4.114 4.320 0.001 0.000 0.218 178 A C 2.307 179.928 177.584 0.062 0.000 1.193 178 A CA 1.908 53.979 52.037 0.057 0.000 0.629 178 A CB -1.014 18.005 19.000 0.031 0.000 0.826 178 A HN 0.402 nan 8.150 nan 0.000 0.447 179 L N 0.395 121.637 121.223 0.031 0.000 2.056 179 L HA -0.107 4.234 4.340 0.001 0.000 0.207 179 L C 2.534 179.444 176.870 0.067 0.000 1.078 179 L CA 2.308 57.174 54.840 0.043 0.000 0.749 179 L CB -0.463 41.568 42.059 -0.048 0.000 0.901 179 L HN 0.352 nan 8.230 nan 0.000 0.433 180 V N -3.839 116.101 119.914 0.043 0.000 2.407 180 V HA -0.185 3.935 4.120 0.001 0.000 0.248 180 V C 2.381 178.600 176.094 0.209 0.000 1.055 180 V CA 1.791 64.154 62.300 0.104 0.000 1.049 180 V CB -1.494 30.480 31.823 0.251 0.000 0.662 180 V HN 0.433 nan 8.190 nan 0.000 0.455 181 S N 0.835 116.642 115.700 0.178 0.000 2.365 181 S HA -0.185 4.285 4.470 0.001 0.000 0.225 181 S C 2.057 176.743 174.600 0.143 0.000 1.039 181 S CA 1.788 60.078 58.200 0.151 0.000 1.033 181 S CB -0.631 62.635 63.200 0.109 0.000 0.887 181 S HN 0.481 nan 8.310 nan 0.000 0.447 182 V N 0.578 120.571 119.914 0.132 0.000 2.282 182 V HA -0.247 3.874 4.120 0.001 0.000 0.249 182 V C 2.032 178.168 176.094 0.070 0.000 1.057 182 V CA 1.892 64.246 62.300 0.089 0.000 1.032 182 V CB -0.860 31.011 31.823 0.080 0.000 0.645 182 V HN 0.462 nan 8.190 nan 0.000 0.447 183 Y N 0.356 120.650 120.300 -0.010 0.000 2.200 183 Y HA -0.184 4.366 4.550 0.001 0.000 0.290 183 Y C 2.580 178.601 175.900 0.201 0.000 1.137 183 Y CA 1.718 59.812 58.100 -0.009 0.000 1.163 183 Y CB -0.425 37.819 38.460 -0.360 0.000 0.988 183 Y HN 0.304 nan 8.280 nan 0.000 0.518 184 E N -0.223 120.225 120.200 0.413 0.000 2.160 184 E HA -0.205 4.146 4.350 0.001 0.000 0.195 184 E C 1.911 178.616 176.600 0.175 0.000 0.991 184 E CA 0.968 57.566 56.400 0.329 0.000 0.810 184 E CB -0.087 29.774 29.700 0.267 0.000 0.742 184 E HN 0.404 nan 8.360 nan 0.000 0.466 185 R N 0.579 121.151 120.500 0.120 0.000 2.313 185 R HA 0.053 4.394 4.340 0.001 0.000 0.199 185 R C 0.960 177.284 176.300 0.040 0.000 0.958 185 R CA 0.020 56.160 56.100 0.065 0.000 1.047 185 R CB 0.251 30.577 30.300 0.044 0.000 0.955 185 R HN -0.017 nan 8.270 nan 0.000 0.481 186 S N 1.128 116.852 115.700 0.039 0.000 2.603 186 S HA 0.003 4.474 4.470 0.001 0.000 0.268 186 S C 0.328 174.944 174.600 0.026 0.000 1.317 186 S CA -0.662 57.540 58.200 0.003 0.000 1.012 186 S CB 1.312 64.482 63.200 -0.050 0.000 0.926 186 S HN 0.289 nan 8.310 nan 0.000 0.539 187 D N 0.050 120.457 120.400 0.011 0.000 2.587 187 D HA 0.320 4.960 4.640 0.001 0.000 0.233 187 D C -0.393 175.919 176.300 0.019 0.000 1.213 187 D CA -0.467 53.543 54.000 0.017 0.000 0.827 187 D CB -0.009 40.797 40.800 0.009 0.000 1.006 187 D HN 0.250 nan 8.370 nan 0.000 0.490 188 K N 1.055 121.471 120.400 0.027 0.000 2.164 188 K HA 0.442 4.763 4.320 0.001 0.000 0.258 188 K C -2.542 174.096 176.600 0.064 0.000 0.951 188 K CA -2.498 53.810 56.287 0.035 0.000 0.844 188 K CB 1.211 33.725 32.500 0.024 0.000 1.099 188 K HN -0.094 nan 8.250 nan 0.000 0.435 189 P HA -0.109 nan 4.420 nan 0.000 0.258 189 P C -0.041 177.323 177.300 0.107 0.000 1.172 189 P CA 0.277 63.414 63.100 0.061 0.000 0.762 189 P CB 0.682 32.410 31.700 0.046 0.000 0.764 190 A N 4.941 127.817 122.820 0.095 0.000 1.896 190 A HA -0.296 4.025 4.320 0.001 0.000 0.220 190 A C 2.050 179.745 177.584 0.185 0.000 1.206 190 A CA 2.083 54.194 52.037 0.123 0.000 0.647 190 A CB -0.978 17.906 19.000 -0.195 0.000 0.828 190 A HN 0.395 nan 8.150 nan 0.000 0.455 191 K N -0.181 120.270 120.400 0.085 0.000 2.442 191 K HA -0.132 4.189 4.320 0.001 0.000 0.199 191 K C 0.798 177.476 176.600 0.129 0.000 1.044 191 K CA 1.623 57.969 56.287 0.100 0.000 0.941 191 K CB -0.384 32.145 32.500 0.047 0.000 0.759 191 K HN 0.650 nan 8.250 nan 0.000 0.472 192 D N -1.098 119.386 120.400 0.140 0.000 2.346 192 D HA 0.087 4.728 4.640 0.001 0.000 0.206 192 D C -0.403 175.990 176.300 0.156 0.000 1.001 192 D CA 0.281 54.354 54.000 0.122 0.000 0.871 192 D CB 0.334 41.189 40.800 0.091 0.000 0.943 192 D HN 0.076 nan 8.370 nan 0.000 0.518 193 L N 0.872 122.242 121.223 0.244 0.000 2.289 193 L HA 0.683 5.024 4.340 0.001 0.000 0.285 193 L C -0.136 176.878 176.870 0.240 0.000 1.049 193 L CA -1.019 53.994 54.840 0.290 0.000 0.804 193 L CB 1.556 43.862 42.059 0.412 0.000 1.195 193 L HN -0.160 nan 8.230 nan 0.000 0.428 194 A N 5.069 127.989 122.820 0.166 0.000 2.350 194 A HA 0.964 5.284 4.320 0.001 0.000 0.324 194 A C -0.744 176.733 177.584 -0.178 0.000 1.118 194 A CA -0.540 51.499 52.037 0.004 0.000 0.783 194 A CB 1.654 20.675 19.000 0.036 0.000 1.236 194 A HN 0.780 nan 8.150 nan 0.000 0.457 195 L N -0.532 120.479 121.223 -0.353 0.000 2.556 195 L HA 0.745 5.086 4.340 0.001 0.000 0.257 195 L C -1.773 174.900 176.870 -0.328 0.000 0.955 195 L CA -0.995 53.534 54.840 -0.518 0.000 0.850 195 L CB 2.135 43.473 42.059 -1.202 0.000 1.398 195 L HN 0.428 nan 8.230 nan 0.000 0.412 196 N N 1.997 120.545 118.700 -0.253 0.000 2.417 196 N HA 0.558 5.298 4.740 0.001 0.000 0.274 196 N C 0.472 175.853 175.510 -0.215 0.000 0.987 196 N CA -0.630 52.307 53.050 -0.189 0.000 0.912 196 N CB 2.313 40.724 38.487 -0.126 0.000 1.177 196 N HN 0.746 nan 8.380 nan 0.000 0.490 197 L N 0.836 121.912 121.223 -0.245 0.000 2.270 197 L HA 0.211 4.552 4.340 0.001 0.000 0.210 197 L C 1.089 177.791 176.870 -0.281 0.000 1.104 197 L CA 0.355 55.006 54.840 -0.315 0.000 0.804 197 L CB -0.235 41.561 42.059 -0.437 0.000 0.937 197 L HN 0.820 nan 8.230 nan 0.000 0.450 198 G N 0.896 109.563 108.800 -0.221 0.000 2.182 198 G HA2 -0.217 3.743 3.960 0.001 0.000 0.248 198 G HA3 -0.217 3.743 3.960 0.001 0.000 0.248 198 G C 0.042 174.827 174.900 -0.191 0.000 1.042 198 G CA -0.393 44.615 45.100 -0.154 0.000 0.775 198 G HN 0.061 nan 8.290 nan 0.000 0.501 199 L N 0.508 121.560 121.223 -0.285 0.000 2.397 199 L HA 0.609 4.950 4.340 0.001 0.000 0.271 199 L C 0.186 176.916 176.870 -0.233 0.000 1.148 199 L CA 0.659 55.312 54.840 -0.312 0.000 0.825 199 L CB 1.412 43.228 42.059 -0.405 0.000 1.117 199 L HN 0.400 nan 8.230 nan 0.000 0.456 200 D N 4.270 124.577 120.400 -0.154 0.000 2.668 200 D HA 0.188 4.829 4.640 0.001 0.000 0.234 200 D C -2.052 174.306 176.300 0.097 0.000 1.349 200 D CA -0.741 53.268 54.000 0.016 0.000 0.889 200 D CB 1.283 42.130 40.800 0.078 0.000 1.520 200 D HN 0.099 nan 8.370 nan 0.000 0.521 201 P HA -0.016 nan 4.420 nan 0.000 0.218 201 P C 1.755 179.200 177.300 0.241 0.000 1.149 201 P CA 0.605 63.769 63.100 0.106 0.000 0.817 201 P CB 0.630 32.351 31.700 0.035 0.000 0.785 202 I N -0.360 120.400 120.570 0.317 0.000 2.286 202 I HA -0.083 4.087 4.170 0.001 0.000 0.245 202 I C 2.673 178.907 176.117 0.195 0.000 1.104 202 I CA 1.511 62.944 61.300 0.220 0.000 1.397 202 I CB -1.258 36.825 38.000 0.139 0.000 1.072 202 I HN -0.028 nan 8.210 nan 0.000 0.417 203 G N 0.795 109.712 108.800 0.194 0.000 2.440 203 G HA2 -0.316 3.644 3.960 0.001 0.000 0.218 203 G HA3 -0.316 3.644 3.960 0.001 0.000 0.218 203 G C 1.647 176.579 174.900 0.054 0.000 1.154 203 G CA 0.568 45.718 45.100 0.084 0.000 0.767 203 G HN 0.316 nan 8.290 nan 0.000 0.552 204 F N 2.301 122.224 119.950 -0.045 0.000 2.134 204 F HA 0.052 4.579 4.527 0.001 0.000 0.299 204 F C 2.842 178.594 175.800 -0.080 0.000 1.097 204 F CA 1.417 59.364 58.000 -0.089 0.000 1.264 204 F CB -0.222 38.741 39.000 -0.062 0.000 1.001 204 F HN 0.237 nan 8.300 nan 0.000 0.479 205 A N 0.556 123.475 122.820 0.164 0.000 1.865 205 A HA -0.164 4.157 4.320 0.001 0.000 0.217 205 A C 2.441 179.996 177.584 -0.048 0.000 1.191 205 A CA 2.148 54.224 52.037 0.066 0.000 0.623 205 A CB -1.693 17.377 19.000 0.117 0.000 0.826 205 A HN 0.520 nan 8.150 nan 0.000 0.444 206 A N -0.364 122.448 122.820 -0.013 0.000 1.917 206 A HA -0.153 4.167 4.320 0.001 0.000 0.219 206 A C 2.188 179.685 177.584 -0.144 0.000 1.182 206 A CA 1.782 53.804 52.037 -0.024 0.000 0.633 206 A CB -0.683 18.361 19.000 0.073 0.000 0.819 206 A HN 0.511 nan 8.150 nan 0.000 0.448 207 L N -1.270 119.788 121.223 -0.275 0.000 2.156 207 L HA -0.148 4.193 4.340 0.001 0.000 0.208 207 L C 2.651 179.254 176.870 -0.446 0.000 1.095 207 L CA 0.962 55.543 54.840 -0.432 0.000 0.770 207 L CB -0.417 41.281 42.059 -0.601 0.000 0.914 207 L HN 0.396 nan 8.230 nan 0.000 0.439 208 Q N -0.202 119.325 119.800 -0.455 0.000 2.302 208 Q HA 0.098 4.439 4.340 0.001 0.000 0.202 208 Q C 1.422 177.299 176.000 -0.205 0.000 0.936 208 Q CA 0.896 56.469 55.803 -0.383 0.000 0.886 208 Q CB 0.316 28.739 28.738 -0.526 0.000 0.986 208 Q HN 0.525 nan 8.270 nan 0.000 0.487 209 G N 2.234 110.943 108.800 -0.152 0.000 2.182 209 G HA2 -0.251 3.709 3.960 0.001 0.000 0.248 209 G HA3 -0.251 3.709 3.960 0.001 0.000 0.248 209 G C 0.302 175.174 174.900 -0.047 0.000 1.042 209 G CA 0.683 45.734 45.100 -0.081 0.000 0.775 209 G HN 0.453 nan 8.290 nan 0.000 0.501 210 T N -4.307 110.225 114.554 -0.035 0.000 2.919 210 T HA 0.881 5.231 4.350 0.001 0.000 0.282 210 T C 0.012 174.735 174.700 0.037 0.000 1.020 210 T CA 0.553 62.659 62.100 0.010 0.000 0.994 210 T CB 1.919 70.814 68.868 0.045 0.000 1.180 210 T HN 1.476 nan 8.240 nan 0.000 0.566 211 E N 0.981 121.213 120.200 0.053 0.000 2.227 211 E HA 0.555 4.906 4.350 0.001 0.000 0.282 211 E C -2.765 173.887 176.600 0.086 0.000 1.015 211 E CA -2.574 53.859 56.400 0.056 0.000 0.823 211 E CB -0.435 29.291 29.700 0.042 0.000 1.081 211 E HN 0.730 nan 8.360 nan 0.000 0.396 212 P HA 0.230 nan 4.420 nan 0.000 0.271 212 P C -0.982 176.375 177.300 0.096 0.000 1.220 212 P CA -0.056 63.115 63.100 0.117 0.000 0.768 212 P CB 0.841 32.614 31.700 0.121 0.000 0.848 213 D N 3.220 123.672 120.400 0.086 0.000 2.462 213 D HA 0.192 4.832 4.640 0.001 0.000 0.249 213 D C 0.113 176.441 176.300 0.046 0.000 1.117 213 D CA -0.420 53.614 54.000 0.057 0.000 0.900 213 D CB 0.246 41.067 40.800 0.035 0.000 1.039 213 D HN -0.001 nan 8.370 nan 0.000 0.516 214 L N 2.803 124.066 121.223 0.067 0.000 2.629 214 L HA 0.114 4.455 4.340 0.001 0.000 0.230 214 L C 2.264 179.161 176.870 0.045 0.000 1.151 214 L CA 0.527 55.404 54.840 0.061 0.000 0.924 214 L CB -0.176 41.962 42.059 0.130 0.000 1.137 214 L HN 0.473 nan 8.230 nan 0.000 0.457 215 T N -5.451 109.128 114.554 0.041 0.000 3.054 215 T HA -0.009 4.342 4.350 0.001 0.000 0.259 215 T C 1.433 176.153 174.700 0.033 0.000 1.092 215 T CA 0.812 62.936 62.100 0.040 0.000 1.121 215 T CB -0.204 68.683 68.868 0.032 0.000 0.912 215 T HN 0.061 nan 8.240 nan 0.000 0.489 216 V N 1.253 121.188 119.914 0.036 0.000 3.573 216 V HA 0.207 4.327 4.120 0.001 0.000 0.270 216 V C 2.420 178.583 176.094 0.114 0.000 1.221 216 V CA 0.264 62.592 62.300 0.047 0.000 1.163 216 V CB -1.193 30.678 31.823 0.079 0.000 0.847 216 V HN 0.403 nan 8.190 nan 0.000 0.468 217 L N 1.537 122.802 121.223 0.071 0.000 1.970 217 L HA -0.105 4.236 4.340 0.001 0.000 0.212 217 L C 2.825 179.723 176.870 0.048 0.000 1.071 217 L CA 2.101 56.960 54.840 0.032 0.000 0.751 217 L CB -1.368 40.624 42.059 -0.111 0.000 0.889 217 L HN 0.452 nan 8.230 nan 0.000 0.432 218 G N -0.100 108.743 108.800 0.072 0.000 2.513 218 G HA2 -0.426 3.535 3.960 0.001 0.000 0.219 218 G HA3 -0.426 3.535 3.960 0.001 0.000 0.219 218 G C 1.280 176.291 174.900 0.183 0.000 1.160 218 G CA 1.731 46.958 45.100 0.211 0.000 0.767 218 G HN 0.517 nan 8.290 nan 0.000 0.571 219 D N 0.128 120.566 120.400 0.063 0.000 2.177 219 D HA -0.275 4.366 4.640 0.001 0.000 0.189 219 D C 2.165 178.416 176.300 -0.081 0.000 1.002 219 D CA 1.684 55.639 54.000 -0.075 0.000 0.845 219 D CB -1.169 nan 40.800 nan 0.000 0.960 219 D HN 0.607 nan 8.370 nan 0.000 0.447 220 W N 0.103 121.389 121.300 -0.023 0.000 2.342 220 W HA -0.009 4.651 4.660 0.001 0.000 0.297 220 W C 2.704 179.194 176.519 -0.047 0.000 1.213 220 W CA 0.966 58.284 57.345 -0.044 0.000 1.251 220 W CB -0.117 29.289 29.460 -0.090 0.000 1.136 220 W HN 0.174 nan 8.180 nan 0.000 0.526 221 V N 0.406 120.397 119.914 0.129 0.000 2.515 221 V HA -0.264 3.856 4.120 0.001 0.000 0.250 221 V C 2.044 178.205 176.094 0.111 0.000 1.058 221 V CA 1.758 64.064 62.300 0.010 0.000 1.064 221 V CB -0.651 30.977 31.823 -0.325 0.000 0.675 221 V HN 0.200 nan 8.190 nan 0.000 0.461 222 R N -0.092 120.514 120.500 0.175 0.000 2.119 222 R HA -0.062 4.279 4.340 0.001 0.000 0.222 222 R C 2.446 178.802 176.300 0.093 0.000 1.088 222 R CA 0.917 57.115 56.100 0.163 0.000 0.984 222 R CB -0.326 30.056 30.300 0.137 0.000 0.884 222 R HN 0.287 nan 8.270 nan 0.000 0.447 223 R N 1.126 121.677 120.500 0.085 0.000 2.152 223 R HA -0.079 4.261 4.340 0.001 0.000 0.232 223 R C 1.344 177.763 176.300 0.199 0.000 1.117 223 R CA 1.158 57.319 56.100 0.103 0.000 0.981 223 R CB -0.207 30.137 30.300 0.074 0.000 0.870 223 R HN 0.165 nan 8.270 nan 0.000 0.451 224 L N -0.281 121.087 121.223 0.242 0.000 2.741 224 L HA 0.411 4.752 4.340 0.001 0.000 0.237 224 L C 1.246 178.240 176.870 0.208 0.000 1.178 224 L CA 0.362 55.403 54.840 0.335 0.000 0.973 224 L CB 0.428 42.631 42.059 0.240 0.000 1.255 224 L HN 0.224 nan 8.230 nan 0.000 0.498 225 A N -0.830 122.048 122.820 0.095 0.000 2.016 225 A HA -0.105 4.215 4.320 0.001 0.000 0.217 225 A C 2.264 179.827 177.584 -0.035 0.000 1.162 225 A CA 0.973 53.040 52.037 0.050 0.000 0.662 225 A CB -0.166 18.868 19.000 0.056 0.000 0.812 225 A HN 0.394 nan 8.150 nan 0.000 0.450 226 K N -0.964 119.323 120.400 -0.188 0.000 2.044 226 K HA -0.127 4.194 4.320 0.001 0.000 0.210 226 K C -0.108 176.272 176.600 -0.366 0.000 1.049 226 K CA 1.162 57.212 56.287 -0.396 0.000 0.927 226 K CB -0.261 31.709 32.500 -0.883 0.000 0.713 226 K HN 0.480 nan 8.250 nan 0.000 0.443 227 F N 0.300 120.279 119.950 0.049 0.000 2.352 227 F HA 0.091 4.618 4.527 0.001 0.000 0.304 227 F C 1.255 177.078 175.800 0.039 0.000 1.215 227 F CA -0.804 57.226 58.000 0.050 0.000 1.121 227 F CB -0.026 38.997 39.000 0.038 0.000 1.329 227 F HN -0.138 nan 8.300 nan 0.000 0.528 228 S N 1.693 117.554 115.700 0.270 0.000 2.540 228 S HA -0.015 4.456 4.470 0.001 0.000 0.272 228 S C -1.341 173.330 174.600 0.119 0.000 1.357 228 S CA -0.894 57.397 58.200 0.150 0.000 1.011 228 S CB 0.258 63.537 63.200 0.131 0.000 0.852 228 S HN 0.455 nan 8.310 nan 0.000 0.535 229 P HA 0.146 nan 4.420 nan 0.000 0.233 229 P C 0.860 178.196 177.300 0.060 0.000 1.167 229 P CA 1.422 64.564 63.100 0.071 0.000 0.770 229 P CB -0.670 31.069 31.700 0.066 0.000 0.837 230 D N -0.120 120.313 120.400 0.056 0.000 2.312 230 D HA -0.007 4.633 4.640 0.001 0.000 0.211 230 D C 0.985 177.294 176.300 0.015 0.000 0.964 230 D CA 0.324 54.348 54.000 0.040 0.000 0.877 230 D CB -0.513 40.313 40.800 0.042 0.000 0.924 230 D HN 0.144 nan 8.370 nan 0.000 0.515 231 S N 0.599 116.306 115.700 0.011 0.000 2.549 231 S HA 0.479 4.949 4.470 0.001 0.000 0.283 231 S C 0.077 174.656 174.600 -0.035 0.000 1.320 231 S CA -0.228 57.953 58.200 -0.031 0.000 1.058 231 S CB 0.750 63.950 63.200 0.000 0.000 0.882 231 S HN 0.397 nan 8.310 nan 0.000 0.498 232 R N 1.125 121.576 120.500 -0.081 0.000 2.575 232 R HA 0.510 4.850 4.340 0.001 0.000 0.293 232 R C 0.502 176.723 176.300 -0.131 0.000 0.983 232 R CA -0.698 55.347 56.100 -0.092 0.000 0.887 232 R CB 1.242 31.483 30.300 -0.098 0.000 1.184 232 R HN 0.626 nan 8.270 nan 0.000 0.445 233 A N 2.446 125.185 122.820 -0.134 0.000 1.878 233 A HA 0.098 4.419 4.320 0.001 0.000 0.213 233 A C 0.648 178.091 177.584 -0.235 0.000 1.192 233 A CA 0.884 52.819 52.037 -0.170 0.000 0.619 233 A CB 0.330 19.251 19.000 -0.132 0.000 0.837 233 A HN 0.311 nan 8.150 nan 0.000 0.446 234 V N 0.806 120.582 119.914 -0.230 0.000 2.427 234 V HA 0.464 4.585 4.120 0.001 0.000 0.286 234 V C -0.405 175.553 176.094 -0.226 0.000 1.034 234 V CA -0.253 61.891 62.300 -0.261 0.000 0.893 234 V CB 1.360 33.005 31.823 -0.297 0.000 0.982 234 V HN 0.241 nan 8.190 nan 0.000 0.452 235 T N 5.820 120.258 114.554 -0.194 0.000 2.991 235 T HA 0.480 4.830 4.350 0.001 0.000 0.347 235 T C -0.040 174.580 174.700 -0.132 0.000 1.122 235 T CA -0.166 61.829 62.100 -0.175 0.000 1.062 235 T CB 0.289 69.075 68.868 -0.137 0.000 1.043 235 T HN 0.419 nan 8.240 nan 0.000 0.491 236 I N 3.237 123.681 120.570 -0.211 0.000 2.574 236 I HA 0.016 4.187 4.170 0.001 0.000 0.291 236 I C 0.706 176.812 176.117 -0.018 0.000 1.131 236 I CA 0.001 61.245 61.300 -0.094 0.000 1.352 236 I CB 0.156 37.987 38.000 -0.282 0.000 1.431 236 I HN 0.469 nan 8.210 nan 0.000 0.543 237 D N 6.725 127.133 120.400 0.014 0.000 2.402 237 D HA 0.187 4.827 4.640 0.001 0.000 0.235 237 D C 0.856 177.182 176.300 0.043 0.000 1.226 237 D CA 0.008 54.006 54.000 -0.003 0.000 0.918 237 D CB 1.257 42.048 40.800 -0.015 0.000 1.043 237 D HN 0.644 nan 8.370 nan 0.000 0.506 238 A N 4.092 126.970 122.820 0.097 0.000 2.169 238 A HA -0.098 4.222 4.320 0.001 0.000 0.212 238 A C 1.897 179.564 177.584 0.139 0.000 1.153 238 A CA 0.142 52.302 52.037 0.205 0.000 0.756 238 A CB -0.306 18.809 19.000 0.192 0.000 0.813 238 A HN 0.664 nan 8.150 nan 0.000 0.471 239 N N 0.296 119.011 118.700 0.023 0.000 2.381 239 N HA -0.102 4.639 4.740 0.001 0.000 0.182 239 N C 1.555 177.045 175.510 -0.034 0.000 1.025 239 N CA 0.920 53.959 53.050 -0.018 0.000 0.888 239 N CB -0.134 38.291 38.487 -0.103 0.000 0.965 239 N HN 0.519 nan 8.380 nan 0.000 0.438 240 I N 0.602 121.148 120.570 -0.040 0.000 2.127 240 I HA -0.322 3.849 4.170 0.001 0.000 0.241 240 I C 1.696 177.774 176.117 -0.064 0.000 1.075 240 I CA 1.427 62.724 61.300 -0.005 0.000 1.334 240 I CB -0.386 37.510 38.000 -0.174 0.000 1.040 240 I HN 0.146 nan 8.210 nan 0.000 0.405 241 Y N -0.698 119.740 120.300 0.231 0.000 2.181 241 Y HA -0.297 4.253 4.550 0.001 0.000 0.288 241 Y C 2.696 178.677 175.900 0.136 0.000 1.146 241 Y CA 1.860 60.114 58.100 0.257 0.000 1.164 241 Y CB -1.264 37.442 38.460 0.409 0.000 0.982 241 Y HN 0.247 nan 8.280 nan 0.000 0.515 242 H N 0.528 119.655 119.070 0.096 0.000 2.289 242 H HA -0.172 4.384 4.556 0.001 0.000 0.296 242 H C 1.769 177.042 175.328 -0.091 0.000 1.091 242 H CA 2.190 58.228 56.048 -0.016 0.000 1.274 242 H CB -0.322 29.398 29.762 -0.069 0.000 1.364 242 H HN 0.135 nan 8.280 nan 0.000 0.490 243 N N -0.006 118.535 118.700 -0.265 0.000 2.430 243 N HA -0.084 4.656 4.740 0.001 0.000 0.186 243 N C 1.287 176.546 175.510 -0.418 0.000 1.032 243 N CA 1.093 53.795 53.050 -0.581 0.000 0.893 243 N CB -0.306 37.218 38.487 -1.605 0.000 0.957 243 N HN 0.558 nan 8.380 nan 0.000 0.442 244 A N -1.031 121.736 122.820 -0.089 0.000 2.308 244 A HA 0.535 4.856 4.320 0.001 0.000 0.217 244 A C 1.411 179.063 177.584 0.113 0.000 1.216 244 A CA 0.620 52.754 52.037 0.162 0.000 0.864 244 A CB 0.120 19.313 19.000 0.320 0.000 0.902 244 A HN 0.275 nan 8.150 nan 0.000 0.499 245 G N -2.047 106.751 108.800 -0.003 0.000 2.205 245 G HA2 0.208 4.169 3.960 0.001 0.000 0.180 245 G HA3 0.208 4.169 3.960 0.001 0.000 0.180 245 G C 0.452 175.336 174.900 -0.026 0.000 1.004 245 G CA 0.001 45.085 45.100 -0.026 0.000 0.670 245 G HN 1.380 nan 8.290 nan 0.000 0.496 246 A N 0.407 123.237 122.820 0.017 0.000 2.448 246 A HA 0.715 5.035 4.320 0.001 0.000 0.239 246 A C 1.346 178.910 177.584 -0.032 0.000 1.080 246 A CA 1.268 53.298 52.037 -0.011 0.000 0.779 246 A CB 0.224 19.224 19.000 0.001 0.000 1.026 246 A HN 1.637 nan 8.150 nan 0.000 0.499 247 G N -0.758 108.010 108.800 -0.053 0.000 2.531 247 G HA2 0.341 4.302 3.960 0.001 0.000 0.253 247 G HA3 0.341 4.302 3.960 0.001 0.000 0.253 247 G C 0.273 175.164 174.900 -0.015 0.000 1.439 247 G CA 0.247 45.338 45.100 -0.015 0.000 1.056 247 G HN 0.661 nan 8.290 nan 0.000 0.555 248 D N -1.135 119.256 120.400 -0.014 0.000 2.137 248 D HA -0.091 4.549 4.640 0.001 0.000 0.202 248 D C 2.782 179.031 176.300 -0.085 0.000 0.970 248 D CA 0.716 54.697 54.000 -0.031 0.000 0.837 248 D CB -0.047 40.744 40.800 -0.016 0.000 0.981 248 D HN 0.056 nan 8.370 nan 0.000 0.475 249 V N 1.918 121.775 119.914 -0.096 0.000 2.295 249 V HA -0.235 3.885 4.120 0.001 0.000 0.246 249 V C 2.606 178.542 176.094 -0.264 0.000 1.049 249 V CA 1.951 64.176 62.300 -0.124 0.000 1.024 249 V CB -0.729 31.045 31.823 -0.083 0.000 0.648 249 V HN 0.159 nan 8.190 nan 0.000 0.447 250 A N -0.353 122.210 122.820 -0.428 0.000 1.897 250 A HA -0.235 4.085 4.320 0.001 0.000 0.215 250 A C 2.289 179.386 177.584 -0.812 0.000 1.181 250 A CA 1.752 53.227 52.037 -0.937 0.000 0.620 250 A CB -0.501 17.756 19.000 -1.239 0.000 0.821 250 A HN 0.643 nan 8.150 nan 0.000 0.443 251 E N -0.486 119.510 120.200 -0.341 0.000 2.085 251 E HA -0.224 4.127 4.350 0.001 0.000 0.194 251 E C 1.876 178.424 176.600 -0.087 0.000 0.994 251 E CA 1.548 57.895 56.400 -0.089 0.000 0.801 251 E CB -0.213 29.497 29.700 0.017 0.000 0.743 251 E HN 0.432 nan 8.360 nan 0.000 0.453 252 L N 0.770 121.912 121.223 -0.134 0.000 2.044 252 L HA 0.024 4.365 4.340 0.001 0.000 0.205 252 L C 2.302 179.108 176.870 -0.107 0.000 1.075 252 L CA 2.179 56.949 54.840 -0.118 0.000 0.747 252 L CB -0.871 41.130 42.059 -0.098 0.000 0.903 252 L HN 0.189 nan 8.230 nan 0.000 0.435 253 A N -0.878 121.860 122.820 -0.138 0.000 1.877 253 A HA -0.205 4.115 4.320 0.001 0.000 0.216 253 A C 1.976 179.610 177.584 0.083 0.000 1.186 253 A CA 1.874 53.876 52.037 -0.058 0.000 0.620 253 A CB -1.170 17.748 19.000 -0.136 0.000 0.822 253 A HN 0.677 nan 8.150 nan 0.000 0.443 254 W N -0.498 120.770 121.300 -0.055 0.000 2.518 254 W HA 0.216 4.877 4.660 0.001 0.000 0.273 254 W C 2.640 179.140 176.519 -0.032 0.000 1.247 254 W CA 0.068 57.350 57.345 -0.105 0.000 1.288 254 W CB -1.287 27.955 29.460 -0.364 0.000 1.107 254 W HN 0.451 nan 8.180 nan 0.000 0.586 255 A N 0.771 123.693 122.820 0.171 0.000 1.858 255 A HA -0.165 4.156 4.320 0.001 0.000 0.216 255 A C 2.167 179.819 177.584 0.114 0.000 1.190 255 A CA 1.660 53.794 52.037 0.161 0.000 0.617 255 A CB -1.012 18.016 19.000 0.047 0.000 0.827 255 A HN 0.200 nan 8.150 nan 0.000 0.443 256 L N -0.880 120.314 121.223 -0.048 0.000 2.017 256 L HA -0.203 4.138 4.340 0.001 0.000 0.208 256 L C 3.155 179.876 176.870 -0.249 0.000 1.073 256 L CA 1.147 55.859 54.840 -0.214 0.000 0.745 256 L CB -0.709 40.993 42.059 -0.595 0.000 0.894 256 L HN 0.459 nan 8.230 nan 0.000 0.432 257 A N -0.211 122.575 122.820 -0.057 0.000 1.883 257 A HA -0.221 4.099 4.320 0.001 0.000 0.217 257 A C 2.363 180.017 177.584 0.115 0.000 1.186 257 A CA 2.489 54.697 52.037 0.286 0.000 0.624 257 A CB -0.997 18.226 19.000 0.370 0.000 0.822 257 A HN 0.407 nan 8.150 nan 0.000 0.444 258 T N -0.245 114.302 114.554 -0.013 0.000 2.708 258 T HA -0.048 4.303 4.350 0.001 0.000 0.266 258 T C 1.995 176.455 174.700 -0.400 0.000 1.037 258 T CA 1.529 63.466 62.100 -0.272 0.000 1.146 258 T CB -0.774 67.965 68.868 -0.214 0.000 0.865 258 T HN 0.605 nan 8.240 nan 0.000 0.435 259 G N 1.329 110.057 108.800 -0.121 0.000 2.459 259 G HA2 -0.123 3.838 3.960 0.001 0.000 0.217 259 G HA3 -0.123 3.838 3.960 0.001 0.000 0.217 259 G C 1.862 176.954 174.900 0.320 0.000 1.183 259 G CA 1.093 46.263 45.100 0.116 0.000 0.776 259 G HN 0.588 nan 8.290 nan 0.000 0.552 260 A N 0.772 123.818 122.820 0.377 0.000 1.865 260 A HA -0.098 4.223 4.320 0.001 0.000 0.217 260 A C 2.226 179.990 177.584 0.300 0.000 1.191 260 A CA 2.119 54.427 52.037 0.451 0.000 0.623 260 A CB -0.499 18.859 19.000 0.597 0.000 0.826 260 A HN 0.355 nan 8.150 nan 0.000 0.444 261 E N -0.683 119.614 120.200 0.162 0.000 2.065 261 E HA -0.231 4.119 4.350 0.001 0.000 0.201 261 E C 1.889 178.603 176.600 0.189 0.000 1.016 261 E CA 1.703 58.169 56.400 0.110 0.000 0.818 261 E CB -0.561 29.130 29.700 -0.015 0.000 0.749 261 E HN 0.784 nan 8.360 nan 0.000 0.453 262 Y N 0.246 120.596 120.300 0.084 0.000 2.421 262 Y HA -0.079 4.472 4.550 0.001 0.000 0.292 262 Y C 2.441 178.346 175.900 0.009 0.000 1.136 262 Y CA 0.034 58.153 58.100 0.032 0.000 1.255 262 Y CB -0.766 37.683 38.460 -0.019 0.000 0.991 262 Y HN -0.135 nan 8.280 nan 0.000 0.552 263 V N -0.443 119.554 119.914 0.138 0.000 2.446 263 V HA -0.172 3.948 4.120 0.001 0.000 0.244 263 V C 2.374 178.439 176.094 -0.048 0.000 1.039 263 V CA 1.219 63.471 62.300 -0.080 0.000 1.045 263 V CB -0.401 31.148 31.823 -0.456 0.000 0.681 263 V HN 0.211 nan 8.190 nan 0.000 0.459 264 R N 0.448 121.008 120.500 0.100 0.000 2.082 264 R HA -0.173 4.168 4.340 0.001 0.000 0.234 264 R C 2.493 178.892 176.300 0.165 0.000 1.136 264 R CA 1.694 57.923 56.100 0.216 0.000 0.935 264 R CB -0.757 29.712 30.300 0.282 0.000 0.842 264 R HN 0.508 nan 8.270 nan 0.000 0.430 265 A N 1.015 123.932 122.820 0.162 0.000 1.948 265 A HA -0.173 4.147 4.320 0.001 0.000 0.220 265 A C 2.166 179.831 177.584 0.135 0.000 1.177 265 A CA 1.428 53.552 52.037 0.145 0.000 0.636 265 A CB -0.522 18.573 19.000 0.158 0.000 0.815 265 A HN 0.223 nan 8.150 nan 0.000 0.449 266 L N -0.848 120.450 121.223 0.125 0.000 2.179 266 L HA -0.076 4.265 4.340 0.001 0.000 0.208 266 L C 2.403 179.421 176.870 0.247 0.000 1.096 266 L CA 0.492 55.426 54.840 0.158 0.000 0.779 266 L CB -0.217 41.858 42.059 0.027 0.000 0.922 266 L HN 0.245 nan 8.230 nan 0.000 0.443 267 V N -0.190 119.826 119.914 0.169 0.000 2.358 267 V HA -0.239 3.881 4.120 0.001 0.000 0.246 267 V C 2.255 178.430 176.094 0.136 0.000 1.047 267 V CA 1.696 64.092 62.300 0.159 0.000 1.035 267 V CB -0.570 31.336 31.823 0.139 0.000 0.658 267 V HN 0.450 nan 8.190 nan 0.000 0.452 268 E N 0.511 120.788 120.200 0.128 0.000 2.085 268 E HA -0.268 4.083 4.350 0.001 0.000 0.194 268 E C 1.866 178.520 176.600 0.090 0.000 0.994 268 E CA 1.328 57.788 56.400 0.099 0.000 0.801 268 E CB -0.258 29.498 29.700 0.093 0.000 0.743 268 E HN 0.691 nan 8.360 nan 0.000 0.453 269 Q N -0.183 119.690 119.800 0.123 0.000 2.344 269 Q HA 0.111 4.452 4.340 0.001 0.000 0.212 269 Q C 0.549 176.569 176.000 0.032 0.000 0.943 269 Q CA 0.382 56.252 55.803 0.111 0.000 0.955 269 Q CB 0.426 29.276 28.738 0.187 0.000 1.000 269 Q HN 0.421 nan 8.270 nan 0.000 0.488 270 G N 0.190 108.974 108.800 -0.026 0.000 2.132 270 G HA2 -0.260 3.701 3.960 0.001 0.000 0.234 270 G HA3 -0.260 3.701 3.960 0.001 0.000 0.234 270 G C -0.292 174.415 174.900 -0.322 0.000 0.989 270 G CA -0.486 44.504 45.100 -0.183 0.000 0.676 270 G HN 0.292 nan 8.290 nan 0.000 0.522 271 F N 1.426 121.389 119.950 0.021 0.000 2.440 271 F HA 0.660 5.187 4.527 0.001 0.000 0.328 271 F C 1.440 177.251 175.800 0.018 0.000 1.070 271 F CA 0.115 58.127 58.000 0.019 0.000 1.011 271 F CB 1.334 40.347 39.000 0.022 0.000 1.226 271 F HN 0.193 nan 8.300 nan 0.000 0.491 272 T N -0.954 113.731 114.554 0.218 0.000 2.754 272 T HA 0.429 4.779 4.350 0.001 0.000 0.286 272 T C 1.070 175.830 174.700 0.099 0.000 0.997 272 T CA -0.193 61.979 62.100 0.121 0.000 0.982 272 T CB 1.072 69.991 68.868 0.084 0.000 1.027 272 T HN 0.667 nan 8.240 nan 0.000 0.529 273 A N 0.723 123.560 122.820 0.028 0.000 1.898 273 A HA 0.033 4.354 4.320 0.001 0.000 0.216 273 A C 2.526 180.054 177.584 -0.093 0.000 1.181 273 A CA 1.868 53.858 52.037 -0.078 0.000 0.620 273 A CB -1.780 17.147 19.000 -0.122 0.000 0.819 273 A HN 0.935 nan 8.150 nan 0.000 0.442 274 T N 0.650 115.158 114.554 -0.078 0.000 2.685 274 T HA -0.214 4.136 4.350 0.001 0.000 0.268 274 T C 1.608 176.348 174.700 0.067 0.000 1.034 274 T CA 1.995 64.079 62.100 -0.027 0.000 1.149 274 T CB -0.373 68.487 68.868 -0.013 0.000 0.860 274 T HN 0.728 nan 8.240 nan 0.000 0.449 275 E N 0.874 121.130 120.200 0.094 0.000 2.208 275 E HA 0.121 4.471 4.350 0.001 0.000 0.193 275 E C 2.511 179.128 176.600 0.028 0.000 0.988 275 E CA 0.647 57.102 56.400 0.092 0.000 0.828 275 E CB -0.173 29.640 29.700 0.188 0.000 0.763 275 E HN 0.511 nan 8.360 nan 0.000 0.478 276 A N 1.082 123.935 122.820 0.054 0.000 1.855 276 A HA -0.140 4.180 4.320 0.001 0.000 0.215 276 A C 1.800 179.487 177.584 0.171 0.000 1.191 276 A CA 0.966 53.029 52.037 0.043 0.000 0.613 276 A CB -0.655 18.377 19.000 0.053 0.000 0.829 276 A HN 0.144 nan 8.150 nan 0.000 0.442 277 F N 0.832 120.772 119.950 -0.017 0.000 2.202 277 F HA -0.138 4.390 4.527 0.001 0.000 0.301 277 F C 1.693 177.541 175.800 0.081 0.000 1.082 277 F CA 1.554 59.603 58.000 0.083 0.000 1.313 277 F CB -0.534 38.477 39.000 0.018 0.000 1.024 277 F HN 0.222 nan 8.300 nan 0.000 0.495 278 D N -1.644 118.879 120.400 0.205 0.000 2.348 278 D HA -0.070 4.570 4.640 0.001 0.000 0.216 278 D C 2.134 178.459 176.300 0.041 0.000 0.970 278 D CA 0.950 55.019 54.000 0.114 0.000 0.889 278 D CB -0.162 40.694 40.800 0.094 0.000 0.912 278 D HN 0.148 nan 8.370 nan 0.000 0.524 279 T N -0.819 113.732 114.554 -0.005 0.000 3.023 279 T HA 0.249 4.600 4.350 0.001 0.000 0.253 279 T C 0.658 175.297 174.700 -0.102 0.000 1.038 279 T CA -0.216 61.844 62.100 -0.066 0.000 0.962 279 T CB 0.333 69.127 68.868 -0.123 0.000 1.018 279 T HN -0.046 nan 8.240 nan 0.000 0.521 280 I N 2.983 123.493 120.570 -0.100 0.000 2.325 280 I HA 0.376 4.547 4.170 0.001 0.000 0.291 280 I C -0.339 175.626 176.117 -0.254 0.000 1.019 280 I CA -0.678 60.495 61.300 -0.211 0.000 1.302 280 I CB 1.044 38.897 38.000 -0.245 0.000 1.401 280 I HN 0.023 nan 8.210 nan 0.000 0.485 281 N N 5.158 123.679 118.700 -0.300 0.000 2.362 281 N HA 0.593 5.333 4.740 0.001 0.000 0.299 281 N C -1.268 174.039 175.510 -0.338 0.000 1.170 281 N CA -0.471 52.446 53.050 -0.221 0.000 0.825 281 N CB 1.577 39.994 38.487 -0.116 0.000 1.299 281 N HN 0.188 nan 8.380 nan 0.000 0.502 282 F N 0.062 119.868 119.950 -0.239 0.000 2.467 282 F HA 0.455 4.983 4.527 0.001 0.000 0.336 282 F C 0.705 176.395 175.800 -0.184 0.000 1.123 282 F CA -0.867 56.990 58.000 -0.239 0.000 0.964 282 F CB 1.434 40.239 39.000 -0.325 0.000 1.136 282 F HN 0.141 nan 8.300 nan 0.000 0.447 283 R N 3.636 124.134 120.500 -0.004 0.000 2.198 283 R HA 0.683 5.024 4.340 0.001 0.000 0.339 283 R C -1.461 174.802 176.300 -0.062 0.000 1.020 283 R CA -0.456 55.599 56.100 -0.076 0.000 0.864 283 R CB 0.593 30.805 30.300 -0.147 0.000 1.105 283 R HN 0.607 nan 8.270 nan 0.000 0.463 284 V N 0.640 120.499 119.914 -0.092 0.000 2.864 284 V HA 0.587 4.707 4.120 0.001 0.000 0.314 284 V C -0.132 175.863 176.094 -0.164 0.000 1.073 284 V CA -0.945 61.289 62.300 -0.109 0.000 0.956 284 V CB 1.939 33.685 31.823 -0.127 0.000 1.023 284 V HN 0.668 nan 8.190 nan 0.000 0.435 285 T N 2.640 117.067 114.554 -0.212 0.000 2.907 285 T HA 0.641 4.992 4.350 0.001 0.000 0.298 285 T C 0.213 174.750 174.700 -0.272 0.000 1.017 285 T CA 0.377 62.284 62.100 -0.321 0.000 1.118 285 T CB 1.208 69.692 68.868 -0.641 0.000 0.948 285 T HN 1.400 nan 8.240 nan 0.000 0.531 286 A N 3.003 125.675 122.820 -0.246 0.000 2.258 286 A HA 0.642 4.963 4.320 0.001 0.000 0.316 286 A C 0.773 178.239 177.584 -0.197 0.000 1.279 286 A CA -0.792 51.128 52.037 -0.195 0.000 0.876 286 A CB 0.290 19.192 19.000 -0.164 0.000 1.170 286 A HN 0.906 nan 8.150 nan 0.000 0.520 287 T N -0.642 113.807 114.554 -0.174 0.000 2.893 287 T HA 0.333 4.684 4.350 0.001 0.000 0.281 287 T C 1.124 175.798 174.700 -0.044 0.000 1.027 287 T CA 0.357 62.359 62.100 -0.163 0.000 0.953 287 T CB 0.199 68.974 68.868 -0.154 0.000 1.434 287 T HN 0.779 nan 8.240 nan 0.000 0.597 288 H N -1.704 117.353 119.070 -0.021 0.000 2.548 288 H HA 0.207 4.763 4.556 0.001 0.000 0.268 288 H C 0.201 175.517 175.328 -0.021 0.000 0.975 288 H CA -0.272 55.763 56.048 -0.022 0.000 1.195 288 H CB 0.117 29.875 29.762 -0.007 0.000 1.397 288 H HN 0.477 nan 8.280 nan 0.000 0.572 289 D N 2.312 122.894 120.400 0.303 0.000 2.402 289 D HA -0.060 4.580 4.640 0.001 0.000 0.235 289 D C 1.084 177.418 176.300 0.056 0.000 1.226 289 D CA 0.062 54.164 54.000 0.170 0.000 0.918 289 D CB 1.087 42.002 40.800 0.192 0.000 1.043 289 D HN 0.517 nan 8.370 nan 0.000 0.506 290 Q N 3.034 122.824 119.800 -0.017 0.000 2.002 290 Q HA -0.221 4.119 4.340 0.001 0.000 0.204 290 Q C 1.066 176.920 176.000 -0.243 0.000 0.988 290 Q CA 1.692 57.387 55.803 -0.179 0.000 0.843 290 Q CB 0.014 28.534 28.738 -0.364 0.000 0.908 290 Q HN 0.503 nan 8.270 nan 0.000 0.420 291 F N 0.047 120.005 119.950 0.015 0.000 2.456 291 F HA 0.011 4.539 4.527 0.001 0.000 0.298 291 F C 1.927 177.644 175.800 -0.138 0.000 1.104 291 F CA 0.435 58.378 58.000 -0.095 0.000 1.435 291 F CB 0.066 38.952 39.000 -0.191 0.000 1.078 291 F HN 0.085 nan 8.300 nan 0.000 0.546 292 L N -0.925 120.348 121.223 0.084 0.000 2.131 292 L HA -0.141 4.200 4.340 0.001 0.000 0.206 292 L C 2.350 179.206 176.870 -0.023 0.000 1.087 292 L CA 1.134 55.991 54.840 0.029 0.000 0.767 292 L CB -0.768 41.329 42.059 0.063 0.000 0.917 292 L HN 0.063 nan 8.230 nan 0.000 0.441 293 T N 0.229 114.758 114.554 -0.042 0.000 2.684 293 T HA -0.187 4.164 4.350 0.001 0.000 0.267 293 T C 1.874 176.509 174.700 -0.108 0.000 1.036 293 T CA 1.533 63.582 62.100 -0.086 0.000 1.148 293 T CB -0.190 68.617 68.868 -0.101 0.000 0.863 293 T HN 0.170 nan 8.240 nan 0.000 0.436 294 I N 1.223 121.726 120.570 -0.112 0.000 2.142 294 I HA -0.188 3.982 4.170 0.001 0.000 0.240 294 I C 2.923 178.980 176.117 -0.100 0.000 1.078 294 I CA 1.232 62.461 61.300 -0.119 0.000 1.343 294 I CB -0.493 37.441 38.000 -0.110 0.000 1.046 294 I HN 0.190 nan 8.210 nan 0.000 0.405 295 A N 0.623 123.389 122.820 -0.090 0.000 1.902 295 A HA -0.257 4.063 4.320 0.001 0.000 0.217 295 A C 2.423 179.958 177.584 -0.082 0.000 1.181 295 A CA 1.963 53.943 52.037 -0.095 0.000 0.623 295 A CB -0.655 18.276 19.000 -0.116 0.000 0.818 295 A HN 0.383 nan 8.150 nan 0.000 0.443 296 R N -0.217 120.234 120.500 -0.083 0.000 2.073 296 R HA 0.009 4.350 4.340 0.001 0.000 0.229 296 R C 1.906 178.138 176.300 -0.113 0.000 1.120 296 R CA 1.291 57.338 56.100 -0.088 0.000 0.967 296 R CB -0.365 29.882 30.300 -0.089 0.000 0.862 296 R HN 0.508 nan 8.270 nan 0.000 0.436 297 L N 0.134 121.283 121.223 -0.124 0.000 2.083 297 L HA -0.128 4.212 4.340 0.001 0.000 0.209 297 L C 2.514 179.316 176.870 -0.115 0.000 1.083 297 L CA 1.451 56.207 54.840 -0.139 0.000 0.752 297 L CB -0.482 41.489 42.059 -0.146 0.000 0.899 297 L HN 0.244 nan 8.230 nan 0.000 0.433 298 R N 0.175 120.622 120.500 -0.089 0.000 2.090 298 R HA -0.011 4.330 4.340 0.001 0.000 0.228 298 R C 2.475 178.751 176.300 -0.040 0.000 1.110 298 R CA 1.105 57.171 56.100 -0.057 0.000 0.973 298 R CB -0.337 29.930 30.300 -0.056 0.000 0.869 298 R HN 0.302 nan 8.270 nan 0.000 0.440 299 A N 1.296 124.086 122.820 -0.051 0.000 1.929 299 A HA -0.086 4.235 4.320 0.001 0.000 0.216 299 A C 2.111 179.676 177.584 -0.032 0.000 1.176 299 A CA 0.701 52.721 52.037 -0.028 0.000 0.628 299 A CB -0.421 18.564 19.000 -0.024 0.000 0.816 299 A HN 0.252 nan 8.150 nan 0.000 0.444 300 L N -0.322 120.840 121.223 -0.101 0.000 1.990 300 L HA -0.251 4.090 4.340 0.001 0.000 0.213 300 L C 2.807 179.608 176.870 -0.116 0.000 1.072 300 L CA 1.913 56.637 54.840 -0.194 0.000 0.755 300 L CB -0.266 41.563 42.059 -0.384 0.000 0.889 300 L HN 0.366 nan 8.230 nan 0.000 0.432 301 R N -0.678 119.785 120.500 -0.063 0.000 2.096 301 R HA -0.211 4.129 4.340 0.001 0.000 0.235 301 R C 2.189 178.577 176.300 0.148 0.000 1.127 301 R CA 1.568 57.707 56.100 0.064 0.000 0.968 301 R CB -0.455 29.907 30.300 0.103 0.000 0.861 301 R HN 0.517 nan 8.270 nan 0.000 0.440 302 E N 1.002 121.267 120.200 0.108 0.000 2.058 302 E HA -0.212 4.138 4.350 0.001 0.000 0.194 302 E C 1.948 178.621 176.600 0.121 0.000 0.997 302 E CA 1.355 57.820 56.400 0.108 0.000 0.801 302 E CB -0.031 29.698 29.700 0.048 0.000 0.746 302 E HN 0.375 nan 8.360 nan 0.000 0.450 303 A N 1.242 124.152 122.820 0.150 0.000 1.897 303 A HA -0.165 4.155 4.320 0.001 0.000 0.215 303 A C 2.052 179.894 177.584 0.430 0.000 1.181 303 A CA 1.034 53.238 52.037 0.278 0.000 0.620 303 A CB -1.246 17.985 19.000 0.384 0.000 0.821 303 A HN 0.718 nan 8.150 nan 0.000 0.443 304 W N 0.645 122.008 121.300 0.106 0.000 2.374 304 W HA -0.140 4.521 4.660 0.001 0.000 0.288 304 W C 2.211 178.879 176.519 0.248 0.000 1.218 304 W CA 1.304 58.721 57.345 0.120 0.000 1.245 304 W CB 0.022 29.448 29.460 -0.057 0.000 1.126 304 W HN 0.435 nan 8.180 nan 0.000 0.545 305 A N 0.661 123.649 122.820 0.279 0.000 2.015 305 A HA -0.216 4.105 4.320 0.001 0.000 0.219 305 A C 1.797 179.472 177.584 0.152 0.000 1.163 305 A CA 1.757 53.897 52.037 0.172 0.000 0.646 305 A CB -0.719 18.453 19.000 0.286 0.000 0.806 305 A HN 0.257 nan 8.150 nan 0.000 0.448 306 R N 0.364 120.963 120.500 0.164 0.000 2.092 306 R HA 0.029 4.369 4.340 0.001 0.000 0.231 306 R C 1.702 178.147 176.300 0.241 0.000 1.119 306 R CA 1.491 57.673 56.100 0.136 0.000 0.970 306 R CB -0.695 29.601 30.300 -0.006 0.000 0.864 306 R HN 0.558 nan 8.270 nan 0.000 0.440 307 I N -0.180 120.595 120.570 0.343 0.000 2.099 307 I HA -0.223 3.948 4.170 0.001 0.000 0.239 307 I C 2.300 178.556 176.117 0.231 0.000 1.066 307 I CA 1.703 63.215 61.300 0.352 0.000 1.324 307 I CB -0.981 37.199 38.000 0.300 0.000 1.037 307 I HN 0.448 nan 8.210 nan 0.000 0.401 308 G N 0.251 109.040 108.800 -0.019 0.000 2.556 308 G HA2 -0.364 3.597 3.960 0.001 0.000 0.220 308 G HA3 -0.364 3.597 3.960 0.001 0.000 0.220 308 G C 1.542 176.339 174.900 -0.173 0.000 1.156 308 G CA 1.305 46.142 45.100 -0.439 0.000 0.766 308 G HN 0.486 nan 8.290 nan 0.000 0.583 309 E N -0.284 119.896 120.200 -0.035 0.000 2.058 309 E HA -0.115 4.236 4.350 0.001 0.000 0.194 309 E C 2.712 179.315 176.600 0.004 0.000 0.997 309 E CA 1.304 57.704 56.400 0.000 0.000 0.801 309 E CB -0.075 29.645 29.700 0.034 0.000 0.746 309 E HN 0.317 nan 8.360 nan 0.000 0.450 310 V N 0.253 120.180 119.914 0.021 0.000 2.548 310 V HA -0.182 3.939 4.120 0.001 0.000 0.249 310 V C 1.780 177.812 176.094 -0.103 0.000 1.055 310 V CA 1.321 63.599 62.300 -0.036 0.000 1.065 310 V CB -0.481 31.324 31.823 -0.030 0.000 0.681 310 V HN 0.249 nan 8.190 nan 0.000 0.462 311 F N 0.819 120.733 119.950 -0.060 0.000 2.661 311 F HA 0.346 4.873 4.527 0.001 0.000 0.298 311 F C 1.942 177.673 175.800 -0.114 0.000 1.137 311 F CA 0.881 58.830 58.000 -0.085 0.000 1.454 311 F CB -0.334 38.587 39.000 -0.131 0.000 1.103 311 F HN 0.297 nan 8.300 nan 0.000 0.577 312 G N 0.646 109.461 108.800 0.024 0.000 2.149 312 G HA2 -0.244 3.716 3.960 0.001 0.000 0.235 312 G HA3 -0.244 3.716 3.960 0.001 0.000 0.235 312 G C 0.089 174.946 174.900 -0.072 0.000 1.018 312 G CA 0.018 45.110 45.100 -0.014 0.000 0.728 312 G HN 0.131 nan 8.290 nan 0.000 0.508 313 V N 0.705 120.505 119.914 -0.190 0.000 2.843 313 V HA 0.209 4.329 4.120 0.001 0.000 0.305 313 V C 0.964 176.971 176.094 -0.146 0.000 1.065 313 V CA -0.423 61.704 62.300 -0.288 0.000 1.116 313 V CB 0.771 32.169 31.823 -0.707 0.000 0.968 313 V HN 0.343 nan 8.190 nan 0.000 0.487 314 D N 2.983 123.332 120.400 -0.086 0.000 2.533 314 D HA -0.044 4.597 4.640 0.001 0.000 0.236 314 D C 1.470 177.779 176.300 0.016 0.000 1.137 314 D CA 0.495 54.486 54.000 -0.015 0.000 0.867 314 D CB 0.625 41.433 40.800 0.012 0.000 1.170 314 D HN 0.843 nan 8.370 nan 0.000 0.474 315 E N 2.073 122.304 120.200 0.052 0.000 2.171 315 E HA -0.282 4.068 4.350 0.001 0.000 0.197 315 E C 0.839 177.580 176.600 0.234 0.000 0.997 315 E CA 1.322 57.793 56.400 0.118 0.000 0.810 315 E CB 0.004 29.758 29.700 0.089 0.000 0.738 315 E HN 0.495 nan 8.360 nan 0.000 0.467 316 D N 0.981 121.504 120.400 0.206 0.000 2.347 316 D HA -0.102 4.539 4.640 0.001 0.000 0.213 316 D C 1.157 177.653 176.300 0.326 0.000 0.985 316 D CA 0.558 54.729 54.000 0.286 0.000 0.879 316 D CB -0.095 40.801 40.800 0.161 0.000 0.919 316 D HN 0.212 nan 8.370 nan 0.000 0.526 317 K N 0.103 120.615 120.400 0.186 0.000 2.437 317 K HA 0.253 4.573 4.320 0.001 0.000 0.205 317 K C 1.231 177.847 176.600 0.028 0.000 1.026 317 K CA -0.259 56.098 56.287 0.116 0.000 1.153 317 K CB 0.619 33.174 32.500 0.093 0.000 0.863 317 K HN 0.011 nan 8.250 nan 0.000 0.502 318 R N 0.521 120.936 120.500 -0.140 0.000 2.313 318 R HA 0.036 4.376 4.340 0.001 0.000 0.199 318 R C 0.880 176.820 176.300 -0.599 0.000 0.958 318 R CA -0.061 55.886 56.100 -0.255 0.000 1.047 318 R CB 0.357 30.578 30.300 -0.132 0.000 0.955 318 R HN 0.041 nan 8.270 nan 0.000 0.481 319 G N 0.873 108.995 108.800 -1.129 0.000 2.364 319 G HA2 0.387 4.348 3.960 0.001 0.000 0.267 319 G HA3 0.387 4.348 3.960 0.001 0.000 0.267 319 G C -0.217 174.682 174.900 -0.002 0.000 1.233 319 G CA -0.438 44.217 45.100 -0.742 0.000 0.885 319 G HN 0.233 nan 8.290 nan 0.000 0.490 320 A N 3.592 126.483 122.820 0.118 0.000 2.425 320 A HA 0.576 4.896 4.320 0.001 0.000 0.249 320 A C 0.675 178.263 177.584 0.007 0.000 1.084 320 A CA -0.260 51.802 52.037 0.043 0.000 0.781 320 A CB 0.433 19.219 19.000 -0.358 0.000 1.019 320 A HN 0.721 nan 8.150 nan 0.000 0.490 321 R N 1.653 122.182 120.500 0.048 0.000 2.310 321 R HA 0.375 4.715 4.340 0.001 0.000 0.324 321 R C -0.962 175.356 176.300 0.030 0.000 0.955 321 R CA -0.159 55.964 56.100 0.038 0.000 0.830 321 R CB 1.472 31.800 30.300 0.046 0.000 1.154 321 R HN 0.831 nan 8.270 nan 0.000 0.458 322 Q N 1.848 121.637 119.800 -0.019 0.000 2.333 322 Q HA 0.329 4.669 4.340 0.001 0.000 0.267 322 Q C -0.803 175.169 176.000 -0.047 0.000 1.012 322 Q CA -0.802 54.976 55.803 -0.042 0.000 0.824 322 Q CB 2.202 30.875 28.738 -0.109 0.000 1.290 322 Q HN 0.400 nan 8.270 nan 0.000 0.449 323 N N 1.700 120.369 118.700 -0.051 0.000 2.546 323 N HA 0.330 5.071 4.740 0.001 0.000 0.238 323 N C -1.159 174.293 175.510 -0.098 0.000 0.984 323 N CA -0.125 52.886 53.050 -0.066 0.000 0.935 323 N CB 1.594 40.040 38.487 -0.068 0.000 1.122 323 N HN 0.536 nan 8.380 nan 0.000 0.510 324 A N 2.718 125.471 122.820 -0.111 0.000 2.331 324 A HA 0.548 4.868 4.320 0.001 0.000 0.283 324 A C 0.075 177.581 177.584 -0.130 0.000 1.142 324 A CA -0.507 51.447 52.037 -0.137 0.000 0.812 324 A CB 0.443 19.345 19.000 -0.164 0.000 1.074 324 A HN 0.742 nan 8.150 nan 0.000 0.497 325 I N 2.010 122.493 120.570 -0.144 0.000 2.509 325 I HA 0.476 4.647 4.170 0.001 0.000 0.293 325 I C 0.765 176.806 176.117 -0.126 0.000 1.020 325 I CA -0.241 60.983 61.300 -0.126 0.000 1.088 325 I CB 2.155 40.066 38.000 -0.148 0.000 1.267 325 I HN 0.857 nan 8.210 nan 0.000 0.430 326 T N 2.667 117.169 114.554 -0.087 0.000 2.748 326 T HA 0.120 4.470 4.350 0.001 0.000 0.304 326 T C 0.397 175.049 174.700 -0.080 0.000 1.041 326 T CA -0.489 61.558 62.100 -0.088 0.000 1.033 326 T CB 0.966 69.806 68.868 -0.047 0.000 0.995 326 T HN 0.615 nan 8.240 nan 0.000 0.536 327 S N 0.706 116.348 115.700 -0.096 0.000 2.488 327 S HA 0.081 4.552 4.470 0.001 0.000 0.278 327 S C 0.444 175.079 174.600 0.058 0.000 1.259 327 S CA -0.687 57.487 58.200 -0.044 0.000 1.061 327 S CB -0.479 62.698 63.200 -0.038 0.000 0.910 327 S HN 0.854 nan 8.310 nan 0.000 0.491 328 W N 6.186 127.443 121.300 -0.072 0.000 2.453 328 W HA 0.081 4.741 4.660 0.001 0.000 0.289 328 W C 2.126 178.597 176.519 -0.079 0.000 1.215 328 W CA 0.539 57.834 57.345 -0.083 0.000 1.297 328 W CB -0.132 29.238 29.460 -0.149 0.000 1.113 328 W HN 0.760 nan 8.180 nan 0.000 0.551 329 R N 0.717 121.207 120.500 -0.017 0.000 2.120 329 R HA -0.157 4.183 4.340 0.001 0.000 0.234 329 R C 1.567 177.697 176.300 -0.283 0.000 1.123 329 R CA 1.861 57.806 56.100 -0.258 0.000 0.975 329 R CB -0.319 29.843 30.300 -0.229 0.000 0.866 329 R HN 0.294 nan 8.270 nan 0.000 0.446 330 E N -0.021 120.074 120.200 -0.174 0.000 2.502 330 E HA 0.031 4.381 4.350 0.001 0.000 0.194 330 E C -0.151 176.374 176.600 -0.124 0.000 1.062 330 E CA -0.145 56.166 56.400 -0.149 0.000 0.867 330 E CB 0.227 29.798 29.700 -0.214 0.000 0.888 330 E HN 0.279 nan 8.360 nan 0.000 0.510 331 L N 1.512 122.608 121.223 -0.212 0.000 2.397 331 L HA 0.146 4.487 4.340 0.001 0.000 0.271 331 L C 0.637 177.417 176.870 -0.150 0.000 1.148 331 L CA -0.236 54.506 54.840 -0.163 0.000 0.825 331 L CB 0.915 42.854 42.059 -0.200 0.000 1.117 331 L HN -0.006 nan 8.230 nan 0.000 0.456 332 T N -1.089 113.432 114.554 -0.055 0.000 2.885 332 T HA 0.354 4.705 4.350 0.001 0.000 0.285 332 T C 0.621 175.322 174.700 0.002 0.000 1.019 332 T CA -0.884 61.202 62.100 -0.022 0.000 1.010 332 T CB 2.249 71.129 68.868 0.020 0.000 1.022 332 T HN 0.620 nan 8.240 nan 0.000 0.466 333 R N 0.402 120.910 120.500 0.014 0.000 2.075 333 R HA 0.069 4.409 4.340 0.001 0.000 0.226 333 R C -0.012 176.321 176.300 0.054 0.000 1.114 333 R CA 0.745 56.866 56.100 0.036 0.000 0.972 333 R CB 0.008 30.335 30.300 0.044 0.000 0.869 333 R HN 0.663 nan 8.270 nan 0.000 0.437 334 E N 1.407 121.642 120.200 0.057 0.000 2.338 334 E HA 0.018 4.368 4.350 0.001 0.000 0.272 334 E C -0.824 175.822 176.600 0.076 0.000 1.029 334 E CA 0.250 56.689 56.400 0.065 0.000 0.872 334 E CB 0.681 30.414 29.700 0.056 0.000 1.015 334 E HN 0.117 nan 8.360 nan 0.000 0.417 335 D N 3.373 123.834 120.400 0.101 0.000 2.927 335 D HA -0.136 4.505 4.640 0.001 0.000 0.236 335 D C -1.784 174.607 176.300 0.150 0.000 1.163 335 D CA 0.222 54.300 54.000 0.131 0.000 0.801 335 D CB -0.032 40.822 40.800 0.090 0.000 0.975 335 D HN 0.331 nan 8.370 nan 0.000 0.413 336 P HA -0.152 nan 4.420 nan 0.000 0.222 336 P C 1.442 178.861 177.300 0.199 0.000 1.153 336 P CA 0.759 63.968 63.100 0.182 0.000 0.798 336 P CB -0.100 31.699 31.700 0.165 0.000 0.796 337 Y N 0.254 120.622 120.300 0.114 0.000 2.384 337 Y HA -0.138 4.412 4.550 0.001 0.000 0.289 337 Y C 2.467 178.310 175.900 -0.095 0.000 1.152 337 Y CA 0.705 58.715 58.100 -0.150 0.000 1.258 337 Y CB -1.599 36.761 38.460 -0.167 0.000 0.979 337 Y HN -0.218 nan 8.280 nan 0.000 0.549 338 V N 0.217 120.190 119.914 0.098 0.000 2.759 338 V HA -0.261 3.860 4.120 0.001 0.000 0.256 338 V C 1.759 177.882 176.094 0.047 0.000 1.080 338 V CA 1.505 63.839 62.300 0.056 0.000 1.101 338 V CB -0.518 31.339 31.823 0.057 0.000 0.698 338 V HN 0.516 nan 8.190 nan 0.000 0.477 339 N N 0.604 119.345 118.700 0.070 0.000 2.289 339 N HA -0.084 4.656 4.740 0.001 0.000 0.184 339 N C 1.743 177.292 175.510 0.064 0.000 1.016 339 N CA 1.323 54.420 53.050 0.079 0.000 0.872 339 N CB -0.249 38.312 38.487 0.124 0.000 0.973 339 N HN 0.469 nan 8.380 nan 0.000 0.433 340 I N 1.046 121.620 120.570 0.008 0.000 2.151 340 I HA -0.298 3.872 4.170 0.001 0.000 0.243 340 I C 2.037 178.146 176.117 -0.013 0.000 1.080 340 I CA 1.218 62.493 61.300 -0.041 0.000 1.339 340 I CB -0.428 37.482 38.000 -0.149 0.000 1.039 340 I HN 0.078 nan 8.210 nan 0.000 0.409 341 L N 0.137 121.356 121.223 -0.007 0.000 2.056 341 L HA -0.137 4.204 4.340 0.001 0.000 0.207 341 L C 2.817 179.692 176.870 0.007 0.000 1.078 341 L CA 1.243 56.080 54.840 -0.006 0.000 0.749 341 L CB -0.617 41.439 42.059 -0.006 0.000 0.901 341 L HN 0.160 nan 8.230 nan 0.000 0.433 342 R N 0.210 120.727 120.500 0.028 0.000 2.081 342 R HA -0.095 4.245 4.340 0.001 0.000 0.235 342 R C 2.424 178.740 176.300 0.027 0.000 1.131 342 R CA 1.296 57.424 56.100 0.046 0.000 0.960 342 R CB -0.834 29.504 30.300 0.063 0.000 0.856 342 R HN 0.424 nan 8.270 nan 0.000 0.436 343 G N 0.486 109.301 108.800 0.024 0.000 2.440 343 G HA2 -0.269 3.692 3.960 0.001 0.000 0.218 343 G HA3 -0.269 3.692 3.960 0.001 0.000 0.218 343 G C 1.466 176.376 174.900 0.016 0.000 1.154 343 G CA 0.895 46.006 45.100 0.018 0.000 0.767 343 G HN 0.223 nan 8.290 nan 0.000 0.552 344 S N 0.166 115.874 115.700 0.015 0.000 2.353 344 S HA -0.091 4.379 4.470 0.001 0.000 0.222 344 S C 2.200 176.809 174.600 0.015 0.000 1.035 344 S CA 1.091 59.301 58.200 0.018 0.000 1.025 344 S CB -0.271 62.926 63.200 -0.004 0.000 0.902 344 S HN 0.378 nan 8.310 nan 0.000 0.440 345 I N 0.920 121.481 120.570 -0.015 0.000 2.439 345 I HA -0.129 4.041 4.170 0.001 0.000 0.251 345 I C 2.303 178.429 176.117 0.015 0.000 1.139 345 I CA 0.858 62.136 61.300 -0.037 0.000 1.438 345 I CB -0.299 37.656 38.000 -0.075 0.000 1.085 345 I HN 0.292 nan 8.210 nan 0.000 0.427 346 A N -0.131 122.690 122.820 0.002 0.000 1.929 346 A HA -0.155 4.165 4.320 0.001 0.000 0.216 346 A C 2.229 179.780 177.584 -0.056 0.000 1.176 346 A CA 2.085 54.103 52.037 -0.031 0.000 0.628 346 A CB -0.989 17.983 19.000 -0.046 0.000 0.816 346 A HN 0.411 nan 8.150 nan 0.000 0.444 347 T N -0.522 114.009 114.554 -0.037 0.000 2.746 347 T HA -0.137 4.213 4.350 0.001 0.000 0.267 347 T C 1.606 176.226 174.700 -0.133 0.000 1.039 347 T CA 1.544 63.595 62.100 -0.082 0.000 1.142 347 T CB -0.429 68.432 68.868 -0.011 0.000 0.866 347 T HN 0.502 nan 8.240 nan 0.000 0.444 348 F N 2.422 122.261 119.950 -0.185 0.000 2.069 348 F HA -0.180 4.347 4.527 0.001 0.000 0.298 348 F C 2.488 178.132 175.800 -0.261 0.000 1.113 348 F CA 1.602 59.479 58.000 -0.204 0.000 1.214 348 F CB -0.575 38.340 39.000 -0.141 0.000 0.978 348 F HN 0.042 nan 8.300 nan 0.000 0.474 349 S N 0.682 116.408 115.700 0.043 0.000 2.382 349 S HA -0.143 4.328 4.470 0.001 0.000 0.228 349 S C 2.287 176.734 174.600 -0.254 0.000 1.027 349 S CA 0.944 59.079 58.200 -0.109 0.000 0.991 349 S CB -0.917 62.248 63.200 -0.059 0.000 0.823 349 S HN 0.574 nan 8.310 nan 0.000 0.469 350 A N 1.273 123.934 122.820 -0.265 0.000 1.933 350 A HA -0.107 4.213 4.320 0.001 0.000 0.218 350 A C 2.304 179.621 177.584 -0.445 0.000 1.175 350 A CA 1.943 53.791 52.037 -0.316 0.000 0.628 350 A CB -1.000 17.824 19.000 -0.293 0.000 0.814 350 A HN 0.493 nan 8.150 nan 0.000 0.444 351 S N -0.527 114.781 115.700 -0.652 0.000 2.345 351 S HA -0.123 4.348 4.470 0.001 0.000 0.220 351 S C 1.886 176.168 174.600 -0.530 0.000 1.031 351 S CA 1.694 59.400 58.200 -0.823 0.000 0.996 351 S CB -0.556 61.857 63.200 -1.313 0.000 0.882 351 S HN 0.305 nan 8.310 nan 0.000 0.445 352 V N 1.698 121.283 119.914 -0.548 0.000 2.490 352 V HA -0.030 4.091 4.120 0.001 0.000 0.250 352 V C 2.716 178.652 176.094 -0.264 0.000 1.061 352 V CA 1.706 63.758 62.300 -0.414 0.000 1.064 352 V CB -1.488 30.032 31.823 -0.506 0.000 0.670 352 V HN 0.658 nan 8.190 nan 0.000 0.461 353 G N -0.420 108.228 108.800 -0.253 0.000 2.559 353 G HA2 0.214 4.175 3.960 0.001 0.000 0.216 353 G HA3 0.214 4.175 3.960 0.001 0.000 0.216 353 G C 1.194 176.000 174.900 -0.156 0.000 1.126 353 G CA 0.695 45.684 45.100 -0.185 0.000 0.778 353 G HN 1.109 nan 8.290 nan 0.000 0.543 354 G N -0.973 107.725 108.800 -0.169 0.000 2.248 354 G HA2 0.186 4.146 3.960 0.001 0.000 0.252 354 G HA3 0.186 4.146 3.960 0.001 0.000 0.252 354 G C 0.326 175.167 174.900 -0.098 0.000 1.085 354 G CA 0.118 45.154 45.100 -0.107 0.000 0.845 354 G HN 1.297 nan 8.290 nan 0.000 0.494 355 A N -0.668 122.058 122.820 -0.156 0.000 2.425 355 A HA 0.674 4.994 4.320 0.001 0.000 0.249 355 A C 1.203 178.756 177.584 -0.052 0.000 1.084 355 A CA 0.943 52.905 52.037 -0.126 0.000 0.781 355 A CB 0.377 19.272 19.000 -0.176 0.000 1.019 355 A HN 0.446 nan 8.150 nan 0.000 0.490 356 E N 0.577 120.774 120.200 -0.006 0.000 2.152 356 E HA -0.011 4.339 4.350 0.001 0.000 0.192 356 E C 0.761 177.419 176.600 0.098 0.000 0.983 356 E CA 1.554 57.987 56.400 0.055 0.000 0.818 356 E CB 0.062 29.787 29.700 0.042 0.000 0.758 356 E HN 0.759 nan 8.360 nan 0.000 0.467 357 S N -0.930 114.805 115.700 0.059 0.000 2.595 357 S HA 0.686 5.157 4.470 0.001 0.000 0.281 357 S C -0.652 173.966 174.600 0.031 0.000 1.117 357 S CA -1.003 57.259 58.200 0.103 0.000 0.873 357 S CB 1.536 64.773 63.200 0.063 0.000 1.108 357 S HN 0.021 nan 8.310 nan 0.000 0.477 358 I N 1.392 122.007 120.570 0.075 0.000 2.534 358 I HA 0.372 4.542 4.170 0.001 0.000 0.288 358 I C -0.814 175.323 176.117 0.033 0.000 1.077 358 I CA -0.307 60.974 61.300 -0.032 0.000 1.051 358 I CB 2.643 40.529 38.000 -0.189 0.000 1.234 358 I HN 0.680 nan 8.210 nan 0.000 0.425 359 T N 3.860 118.404 114.554 -0.017 0.000 2.772 359 T HA 0.328 4.678 4.350 0.001 0.000 0.288 359 T C -0.144 174.549 174.700 -0.011 0.000 0.994 359 T CA -0.386 61.711 62.100 -0.005 0.000 0.951 359 T CB 0.968 69.813 68.868 -0.038 0.000 0.933 359 T HN 0.427 nan 8.240 nan 0.000 0.447 360 T N 5.210 119.773 114.554 0.014 0.000 2.744 360 T HA 0.408 4.759 4.350 0.001 0.000 0.291 360 T C 0.636 175.348 174.700 0.019 0.000 0.957 360 T CA -0.619 61.489 62.100 0.014 0.000 1.002 360 T CB 0.255 69.143 68.868 0.034 0.000 0.919 360 T HN 0.366 nan 8.240 nan 0.000 0.468 361 L N 5.087 126.325 121.223 0.024 0.000 2.461 361 L HA 0.255 4.595 4.340 0.001 0.000 0.272 361 L C -1.886 175.010 176.870 0.044 0.000 1.197 361 L CA -1.979 52.889 54.840 0.046 0.000 0.836 361 L CB -0.228 41.878 42.059 0.079 0.000 1.105 361 L HN 0.329 nan 8.230 nan 0.000 0.477 362 P HA -0.056 nan 4.420 nan 0.000 0.269 362 P C 0.260 177.554 177.300 -0.009 0.000 1.215 362 P CA -0.166 62.926 63.100 -0.013 0.000 0.780 362 P CB 0.329 31.982 31.700 -0.078 0.000 0.898 363 F N -0.012 119.875 119.950 -0.106 0.000 2.407 363 F HA -0.054 4.473 4.527 0.001 0.000 0.299 363 F C 1.450 177.183 175.800 -0.112 0.000 1.097 363 F CA 1.083 59.011 58.000 -0.120 0.000 1.422 363 F CB -1.962 36.924 39.000 -0.190 0.000 1.067 363 F HN 0.197 nan 8.300 nan 0.000 0.539 364 T N -2.398 111.691 114.554 -0.775 0.000 3.227 364 T HA -0.061 4.289 4.350 0.001 0.000 0.257 364 T C 1.440 176.032 174.700 -0.180 0.000 1.162 364 T CA 0.733 62.516 62.100 -0.530 0.000 1.051 364 T CB -0.435 68.071 68.868 -0.603 0.000 0.953 364 T HN 0.385 nan 8.240 nan 0.000 0.535 365 Q N 1.107 120.900 119.800 -0.011 0.000 2.436 365 Q HA 0.322 4.662 4.340 0.001 0.000 0.209 365 Q C 2.048 178.266 176.000 0.364 0.000 0.965 365 Q CA 0.934 56.874 55.803 0.228 0.000 0.910 365 Q CB -0.560 28.320 28.738 0.236 0.000 0.980 365 Q HN 0.688 nan 8.270 nan 0.000 0.491 366 A N -1.081 121.844 122.820 0.174 0.000 2.195 366 A HA 0.178 4.499 4.320 0.001 0.000 0.210 366 A C 1.461 179.180 177.584 0.224 0.000 1.165 366 A CA 0.221 52.355 52.037 0.161 0.000 0.806 366 A CB 0.076 19.071 19.000 -0.009 0.000 0.847 366 A HN 0.398 nan 8.150 nan 0.000 0.482 367 L N -2.045 119.255 121.223 0.128 0.000 2.362 367 L HA 0.445 4.786 4.340 0.001 0.000 0.204 367 L C 1.259 178.008 176.870 -0.201 0.000 1.060 367 L CA 0.652 55.495 54.840 0.004 0.000 0.827 367 L CB 0.087 42.092 42.059 -0.089 0.000 1.027 367 L HN 0.489 nan 8.230 nan 0.000 0.474 368 G N -0.573 107.896 108.800 -0.551 0.000 2.333 368 G HA2 0.264 4.225 3.960 0.001 0.000 0.288 368 G HA3 0.264 4.225 3.960 0.001 0.000 0.288 368 G C -1.859 172.481 174.900 -0.934 0.000 1.286 368 G CA -0.946 43.401 45.100 -1.254 0.000 0.865 368 G HN -0.113 nan 8.290 nan 0.000 0.506 369 L N 1.479 122.258 121.223 -0.740 0.000 2.350 369 L HA 0.434 4.775 4.340 0.001 0.000 0.275 369 L C -1.989 174.699 176.870 -0.304 0.000 1.099 369 L CA -1.720 52.893 54.840 -0.379 0.000 0.808 369 L CB 1.421 43.315 42.059 -0.275 0.000 1.149 369 L HN 0.223 nan 8.230 nan 0.000 0.442 370 P HA -0.076 nan 4.420 nan 0.000 0.263 370 P C 0.117 177.317 177.300 -0.167 0.000 1.175 370 P CA 0.254 63.275 63.100 -0.131 0.000 0.761 370 P CB 0.536 32.235 31.700 -0.002 0.000 0.794 371 E N 1.363 121.508 120.200 -0.091 0.000 2.371 371 E HA -0.091 4.259 4.350 0.001 0.000 0.194 371 E C 0.166 176.817 176.600 0.084 0.000 1.012 371 E CA 0.679 57.029 56.400 -0.084 0.000 0.860 371 E CB 0.409 30.083 29.700 -0.044 0.000 0.811 371 E HN 0.603 nan 8.360 nan 0.000 0.502 372 D N -2.218 118.331 120.400 0.248 0.000 3.309 372 D HA -0.036 4.604 4.640 0.001 0.000 0.335 372 D C 0.226 176.736 176.300 0.350 0.000 1.393 372 D CA -0.520 53.701 54.000 0.369 0.000 0.963 372 D CB -0.246 40.690 40.800 0.227 0.000 1.431 372 D HN -0.234 nan 8.370 nan 0.000 0.583 373 D N -1.785 118.754 120.400 0.231 0.000 2.289 373 D HA 0.020 4.661 4.640 0.001 0.000 0.207 373 D C 1.569 177.995 176.300 0.210 0.000 0.966 373 D CA 0.159 54.263 54.000 0.173 0.000 0.868 373 D CB -0.202 40.660 40.800 0.104 0.000 0.943 373 D HN 0.216 nan 8.370 nan 0.000 0.514 374 F N 2.139 122.156 119.950 0.110 0.000 2.032 374 F HA -0.202 4.326 4.527 0.001 0.000 0.297 374 F C -1.065 174.835 175.800 0.167 0.000 1.125 374 F CA 1.722 59.803 58.000 0.136 0.000 1.202 374 F CB -1.662 37.431 39.000 0.155 0.000 0.958 374 F HN 0.074 nan 8.300 nan 0.000 0.491 375 P HA -0.142 nan 4.420 nan 0.000 0.217 375 P C 2.242 179.484 177.300 -0.097 0.000 1.150 375 P CA 1.765 64.730 63.100 -0.225 0.000 0.832 375 P CB -0.233 31.246 31.700 -0.369 0.000 0.787 376 L N -0.820 120.389 121.223 -0.023 0.000 2.056 376 L HA -0.082 4.258 4.340 0.001 0.000 0.207 376 L C 2.913 179.787 176.870 0.007 0.000 1.078 376 L CA 1.317 56.155 54.840 -0.004 0.000 0.749 376 L CB -0.667 41.413 42.059 0.035 0.000 0.901 376 L HN -0.109 nan 8.230 nan 0.000 0.433 377 R N 0.430 120.946 120.500 0.026 0.000 2.096 377 R HA -0.167 4.174 4.340 0.001 0.000 0.235 377 R C 2.194 178.501 176.300 0.011 0.000 1.127 377 R CA 1.281 57.404 56.100 0.039 0.000 0.968 377 R CB 0.031 30.385 30.300 0.090 0.000 0.861 377 R HN 0.239 nan 8.270 nan 0.000 0.440 378 I N 0.677 121.216 120.570 -0.051 0.000 2.353 378 I HA -0.111 4.059 4.170 0.001 0.000 0.248 378 I C 2.454 178.569 176.117 -0.002 0.000 1.119 378 I CA 1.162 62.431 61.300 -0.051 0.000 1.417 378 I CB -1.469 36.445 38.000 -0.143 0.000 1.078 378 I HN 0.219 nan 8.210 nan 0.000 0.421 379 A N 2.146 124.969 122.820 0.006 0.000 1.873 379 A HA -0.208 4.112 4.320 0.001 0.000 0.215 379 A C 2.462 180.069 177.584 0.039 0.000 1.186 379 A CA 1.758 53.810 52.037 0.025 0.000 0.616 379 A CB -0.598 18.410 19.000 0.013 0.000 0.823 379 A HN 0.519 nan 8.150 nan 0.000 0.442 380 R N -0.910 119.612 120.500 0.036 0.000 2.115 380 R HA -0.029 4.311 4.340 0.001 0.000 0.226 380 R C 1.236 177.570 176.300 0.057 0.000 1.100 380 R CA 1.527 57.658 56.100 0.052 0.000 0.980 380 R CB -0.593 29.734 30.300 0.045 0.000 0.875 380 R HN 0.321 nan 8.270 nan 0.000 0.445 381 N N 0.558 119.286 118.700 0.047 0.000 2.459 381 N HA -0.060 4.680 4.740 0.001 0.000 0.181 381 N C 1.183 176.732 175.510 0.065 0.000 1.046 381 N CA 1.498 54.577 53.050 0.049 0.000 0.904 381 N CB -0.269 38.244 38.487 0.043 0.000 0.964 381 N HN 0.296 nan 8.380 nan 0.000 0.444 382 T N -0.279 114.317 114.554 0.070 0.000 2.622 382 T HA -0.131 4.220 4.350 0.001 0.000 0.266 382 T C 1.918 176.709 174.700 0.151 0.000 1.047 382 T CA 1.731 63.884 62.100 0.089 0.000 1.159 382 T CB -0.776 68.135 68.868 0.071 0.000 0.863 382 T HN 0.377 nan 8.240 nan 0.000 0.422 383 G N 0.829 109.746 108.800 0.195 0.000 2.402 383 G HA2 -0.072 3.888 3.960 0.001 0.000 0.216 383 G HA3 -0.072 3.888 3.960 0.001 0.000 0.216 383 G C 1.579 176.623 174.900 0.239 0.000 1.162 383 G CA 0.388 45.712 45.100 0.374 0.000 0.777 383 G HN 0.499 nan 8.290 nan 0.000 0.539 384 I N 0.392 121.016 120.570 0.091 0.000 2.226 384 I HA -0.151 4.020 4.170 0.001 0.000 0.245 384 I C 2.730 178.860 176.117 0.021 0.000 1.100 384 I CA 0.473 61.772 61.300 -0.002 0.000 1.374 384 I CB -0.261 37.735 38.000 -0.007 0.000 1.057 384 I HN 0.015 nan 8.210 nan 0.000 0.413 385 V N 0.982 120.934 119.914 0.064 0.000 2.358 385 V HA -0.254 3.866 4.120 0.001 0.000 0.246 385 V C 2.420 178.576 176.094 0.104 0.000 1.047 385 V CA 1.611 63.951 62.300 0.067 0.000 1.035 385 V CB -0.411 31.452 31.823 0.066 0.000 0.658 385 V HN 0.352 nan 8.190 nan 0.000 0.452 386 L N -0.073 121.258 121.223 0.179 0.000 2.042 386 L HA -0.225 4.115 4.340 0.001 0.000 0.210 386 L C 2.688 179.723 176.870 0.275 0.000 1.076 386 L CA 1.807 56.806 54.840 0.265 0.000 0.749 386 L CB -0.728 41.553 42.059 0.370 0.000 0.893 386 L HN 0.384 nan 8.230 nan 0.000 0.432 387 A N -0.409 122.507 122.820 0.160 0.000 1.855 387 A HA -0.175 4.146 4.320 0.001 0.000 0.215 387 A C 2.143 179.699 177.584 -0.047 0.000 1.191 387 A CA 1.562 53.539 52.037 -0.099 0.000 0.613 387 A CB -0.318 18.336 19.000 -0.577 0.000 0.829 387 A HN 0.461 nan 8.150 nan 0.000 0.442 388 E N -0.991 119.185 120.200 -0.042 0.000 2.340 388 E HA -0.024 4.326 4.350 0.001 0.000 0.194 388 E C 1.504 178.106 176.600 0.002 0.000 0.996 388 E CA 0.719 57.100 56.400 -0.032 0.000 0.869 388 E CB 0.119 29.793 29.700 -0.042 0.000 0.835 388 E HN 0.724 nan 8.360 nan 0.000 0.493 389 E N 0.191 120.407 120.200 0.027 0.000 2.332 389 E HA 0.017 4.367 4.350 0.001 0.000 0.202 389 E C 1.980 178.611 176.600 0.051 0.000 0.877 389 E CA 0.193 56.614 56.400 0.035 0.000 0.979 389 E CB 0.743 30.465 29.700 0.037 0.000 0.969 389 E HN -0.029 nan 8.360 nan 0.000 0.495 390 V N 1.324 121.284 119.914 0.078 0.000 2.871 390 V HA -0.098 4.023 4.120 0.001 0.000 0.256 390 V C 0.041 176.193 176.094 0.097 0.000 1.082 390 V CA 0.956 63.316 62.300 0.101 0.000 1.105 390 V CB -0.898 31.014 31.823 0.150 0.000 0.713 390 V HN 0.354 nan 8.190 nan 0.000 0.473 391 N N -0.243 118.507 118.700 0.083 0.000 2.735 391 N HA -0.240 4.501 4.740 0.001 0.000 0.248 391 N C 0.681 176.245 175.510 0.090 0.000 1.083 391 N CA 0.903 53.994 53.050 0.068 0.000 0.703 391 N CB -1.290 37.224 38.487 0.045 0.000 1.005 391 N HN 0.758 nan 8.380 nan 0.000 0.550 392 I N -5.282 115.370 120.570 0.136 0.000 3.059 392 I HA 0.181 4.351 4.170 0.001 0.000 0.270 392 I C 1.926 178.110 176.117 0.112 0.000 1.238 392 I CA 0.884 62.235 61.300 0.085 0.000 1.478 392 I CB 0.014 38.008 38.000 -0.011 0.000 1.097 392 I HN 0.155 nan 8.210 nan 0.000 0.455 393 G N 0.999 109.946 108.800 0.245 0.000 3.088 393 G HA2 0.087 4.048 3.960 0.001 0.000 0.212 393 G HA3 0.087 4.048 3.960 0.001 0.000 0.212 393 G C 1.574 176.547 174.900 0.122 0.000 1.173 393 G CA -0.310 44.960 45.100 0.282 0.000 0.779 393 G HN 0.212 nan 8.290 nan 0.000 0.540 394 R N -0.344 120.198 120.500 0.071 0.000 2.115 394 R HA 0.051 4.391 4.340 0.001 0.000 0.226 394 R C 0.195 176.516 176.300 0.035 0.000 1.100 394 R CA 0.411 56.536 56.100 0.041 0.000 0.980 394 R CB -0.009 30.309 30.300 0.030 0.000 0.875 394 R HN 0.254 nan 8.270 nan 0.000 0.445 395 V N 2.402 122.335 119.914 0.032 0.000 2.483 395 V HA 0.165 4.286 4.120 0.001 0.000 0.295 395 V C 0.040 176.143 176.094 0.015 0.000 1.035 395 V CA -0.998 61.314 62.300 0.019 0.000 0.896 395 V CB 1.869 33.697 31.823 0.008 0.000 0.986 395 V HN 0.156 nan 8.190 nan 0.000 0.447 396 N N 2.999 121.708 118.700 0.016 0.000 2.475 396 N HA 0.062 4.803 4.740 0.001 0.000 0.267 396 N C 0.086 175.586 175.510 -0.017 0.000 1.169 396 N CA 0.170 53.225 53.050 0.009 0.000 0.947 396 N CB 0.486 38.986 38.487 0.021 0.000 1.061 396 N HN 0.886 nan 8.380 nan 0.000 0.466 397 D N 1.618 121.998 120.400 -0.035 0.000 2.802 397 D HA -0.126 4.515 4.640 0.001 0.000 0.229 397 D C -1.363 174.904 176.300 -0.055 0.000 1.203 397 D CA -0.131 53.837 54.000 -0.054 0.000 0.712 397 D CB 0.125 40.894 40.800 -0.050 0.000 0.973 397 D HN 0.434 nan 8.370 nan 0.000 0.407 398 P HA -0.143 nan 4.420 nan 0.000 0.221 398 P C 1.140 178.420 177.300 -0.033 0.000 1.145 398 P CA 1.502 64.576 63.100 -0.043 0.000 0.795 398 P CB 0.076 31.749 31.700 -0.045 0.000 0.775 399 A N 0.152 122.950 122.820 -0.036 0.000 2.119 399 A HA 0.237 4.558 4.320 0.001 0.000 0.216 399 A C 1.587 179.143 177.584 -0.046 0.000 1.152 399 A CA 0.464 52.492 52.037 -0.015 0.000 0.708 399 A CB -1.321 17.681 19.000 0.004 0.000 0.805 399 A HN 0.294 nan 8.150 nan 0.000 0.460 400 G N -1.289 107.477 108.800 -0.057 0.000 2.254 400 G HA2 0.435 4.395 3.960 0.001 0.000 0.253 400 G HA3 0.435 4.395 3.960 0.001 0.000 0.253 400 G C 1.145 176.004 174.900 -0.069 0.000 1.246 400 G CA 0.194 45.254 45.100 -0.067 0.000 0.946 400 G HN 1.458 nan 8.290 nan 0.000 0.474 401 G N 1.473 110.237 108.800 -0.060 0.000 2.349 401 G HA2 -0.214 3.747 3.960 0.001 0.000 0.213 401 G HA3 -0.214 3.747 3.960 0.001 0.000 0.213 401 G C 1.023 175.877 174.900 -0.077 0.000 1.044 401 G CA 0.654 45.728 45.100 -0.044 0.000 0.633 401 G HN 1.960 nan 8.290 nan 0.000 0.506 402 S N 1.139 116.761 115.700 -0.129 0.000 2.784 402 S HA 0.167 4.638 4.470 0.001 0.000 0.322 402 S C 1.704 176.250 174.600 -0.090 0.000 1.234 402 S CA 0.780 58.865 58.200 -0.193 0.000 1.064 402 S CB 0.032 63.160 63.200 -0.120 0.000 0.787 402 S HN 0.510 nan 8.310 nan 0.000 0.506 403 Y N 5.076 125.374 120.300 -0.003 0.000 2.053 403 Y HA -0.146 4.405 4.550 0.001 0.000 0.277 403 Y C 2.125 177.992 175.900 -0.054 0.000 1.159 403 Y CA 1.866 59.981 58.100 0.025 0.000 1.125 403 Y CB -1.761 36.754 38.460 0.092 0.000 0.969 403 Y HN 0.916 nan 8.280 nan 0.000 0.492 404 Y N 0.843 121.036 120.300 -0.177 0.000 2.081 404 Y HA -0.259 4.291 4.550 0.001 0.000 0.280 404 Y C 2.470 178.061 175.900 -0.515 0.000 1.163 404 Y CA 1.479 59.147 58.100 -0.720 0.000 1.135 404 Y CB -0.954 37.186 38.460 -0.533 0.000 0.970 404 Y HN -0.052 nan 8.280 nan 0.000 0.498 405 V N 0.724 120.394 119.914 -0.406 0.000 2.407 405 V HA -0.235 3.885 4.120 0.001 0.000 0.248 405 V C 2.446 178.400 176.094 -0.234 0.000 1.055 405 V CA 2.126 64.185 62.300 -0.401 0.000 1.049 405 V CB -0.579 31.121 31.823 -0.206 0.000 0.662 405 V HN 0.332 nan 8.190 nan 0.000 0.455 406 E N 0.060 120.177 120.200 -0.138 0.000 2.031 406 E HA -0.181 4.169 4.350 0.001 0.000 0.193 406 E C 2.516 179.073 176.600 -0.072 0.000 0.994 406 E CA 1.654 58.011 56.400 -0.071 0.000 0.800 406 E CB -0.685 29.011 29.700 -0.007 0.000 0.752 406 E HN 0.547 nan 8.360 nan 0.000 0.447 407 S N 0.615 116.265 115.700 -0.083 0.000 2.359 407 S HA -0.166 4.305 4.470 0.001 0.000 0.224 407 S C 1.994 176.551 174.600 -0.071 0.000 1.035 407 S CA 1.090 59.265 58.200 -0.042 0.000 1.018 407 S CB -0.207 63.010 63.200 0.028 0.000 0.876 407 S HN 0.143 nan 8.310 nan 0.000 0.448 408 L N 1.488 122.602 121.223 -0.183 0.000 2.093 408 L HA 0.003 4.343 4.340 0.001 0.000 0.208 408 L C 2.521 179.336 176.870 -0.093 0.000 1.085 408 L CA 2.196 56.952 54.840 -0.140 0.000 0.755 408 L CB -1.400 40.493 42.059 -0.277 0.000 0.904 408 L HN 0.321 nan 8.230 nan 0.000 0.435 409 T N -0.876 113.614 114.554 -0.108 0.000 2.674 409 T HA -0.204 4.146 4.350 0.001 0.000 0.265 409 T C 2.050 176.731 174.700 -0.030 0.000 1.039 409 T CA 1.390 63.449 62.100 -0.067 0.000 1.150 409 T CB -0.221 68.606 68.868 -0.067 0.000 0.864 409 T HN 0.117 nan 8.240 nan 0.000 0.427 410 R N 1.442 121.929 120.500 -0.022 0.000 2.105 410 R HA 0.036 4.376 4.340 0.001 0.000 0.239 410 R C 2.600 178.911 176.300 0.020 0.000 1.135 410 R CA 1.424 57.523 56.100 -0.001 0.000 0.967 410 R CB -1.189 29.114 30.300 0.004 0.000 0.861 410 R HN 0.308 nan 8.270 nan 0.000 0.442 411 S N 0.645 116.362 115.700 0.029 0.000 2.368 411 S HA -0.057 4.414 4.470 0.001 0.000 0.225 411 S C 1.951 176.580 174.600 0.048 0.000 1.030 411 S CA 1.197 59.428 58.200 0.051 0.000 0.999 411 S CB -0.181 63.061 63.200 0.070 0.000 0.844 411 S HN 0.257 nan 8.310 nan 0.000 0.459 412 L N 1.041 122.280 121.223 0.028 0.000 2.027 412 L HA -0.124 4.216 4.340 0.001 0.000 0.206 412 L C 2.861 179.761 176.870 0.050 0.000 1.074 412 L CA 1.239 56.094 54.840 0.024 0.000 0.745 412 L CB -0.838 41.218 42.059 -0.005 0.000 0.898 412 L HN 0.318 nan 8.230 nan 0.000 0.433 413 A N 0.241 123.091 122.820 0.050 0.000 1.865 413 A HA -0.265 4.056 4.320 0.001 0.000 0.217 413 A C 1.920 179.589 177.584 0.142 0.000 1.191 413 A CA 2.235 54.324 52.037 0.087 0.000 0.623 413 A CB -0.692 18.333 19.000 0.040 0.000 0.826 413 A HN 0.395 nan 8.150 nan 0.000 0.444 414 D N -0.076 120.389 120.400 0.108 0.000 2.144 414 D HA -0.044 4.597 4.640 0.001 0.000 0.199 414 D C 2.126 178.534 176.300 0.181 0.000 0.984 414 D CA 1.528 55.613 54.000 0.142 0.000 0.834 414 D CB -0.395 40.457 40.800 0.087 0.000 0.955 414 D HN 0.465 nan 8.370 nan 0.000 0.465 415 A N 0.747 123.647 122.820 0.132 0.000 1.898 415 A HA 0.150 4.470 4.320 0.001 0.000 0.214 415 A C 2.264 179.921 177.584 0.122 0.000 1.183 415 A CA 1.631 53.735 52.037 0.111 0.000 0.622 415 A CB -0.461 18.580 19.000 0.068 0.000 0.824 415 A HN 0.218 nan 8.150 nan 0.000 0.444 416 A N -1.511 121.385 122.820 0.126 0.000 1.929 416 A HA -0.093 4.228 4.320 0.001 0.000 0.216 416 A C 2.071 179.803 177.584 0.247 0.000 1.176 416 A CA 1.050 53.155 52.037 0.114 0.000 0.628 416 A CB -0.775 18.267 19.000 0.069 0.000 0.816 416 A HN 0.796 nan 8.150 nan 0.000 0.444 417 W N 1.206 122.594 121.300 0.146 0.000 2.354 417 W HA -0.207 4.454 4.660 0.001 0.000 0.315 417 W C 2.177 178.827 176.519 0.217 0.000 1.206 417 W CA 2.250 59.743 57.345 0.247 0.000 1.290 417 W CB -0.234 29.340 29.460 0.190 0.000 1.152 417 W HN 0.424 nan 8.180 nan 0.000 0.489 418 K N 0.688 121.285 120.400 0.329 0.000 2.103 418 K HA -0.292 4.028 4.320 0.001 0.000 0.207 418 K C 1.884 178.556 176.600 0.121 0.000 1.048 418 K CA 2.156 58.554 56.287 0.185 0.000 0.930 418 K CB -0.375 32.227 32.500 0.170 0.000 0.716 418 K HN -0.035 nan 8.250 nan 0.000 0.444 419 E N 0.291 120.576 120.200 0.142 0.000 2.106 419 E HA -0.194 4.157 4.350 0.001 0.000 0.192 419 E C 1.698 178.421 176.600 0.205 0.000 0.984 419 E CA 1.217 57.720 56.400 0.172 0.000 0.806 419 E CB -0.453 29.328 29.700 0.135 0.000 0.750 419 E HN 0.398 nan 8.360 nan 0.000 0.458 420 F N 1.422 121.365 119.950 -0.013 0.000 2.102 420 F HA -0.146 4.382 4.527 0.002 0.000 0.298 420 F C 2.017 177.706 175.800 -0.186 0.000 1.105 420 F CA 2.033 59.970 58.000 -0.105 0.000 1.239 420 F CB -0.759 38.076 39.000 -0.276 0.000 0.991 420 F HN 0.077 nan 8.300 nan 0.000 0.474 421 Q N 0.118 119.611 119.800 -0.512 0.000 2.030 421 Q HA -0.266 4.074 4.340 0.001 0.000 0.204 421 Q C 2.293 178.140 176.000 -0.256 0.000 0.986 421 Q CA 2.097 57.614 55.803 -0.476 0.000 0.843 421 Q CB -0.552 28.031 28.738 -0.259 0.000 0.904 421 Q HN 0.574 nan 8.270 nan 0.000 0.420 422 E N 0.012 120.149 120.200 -0.105 0.000 2.097 422 E HA -0.213 4.138 4.350 0.001 0.000 0.196 422 E C 1.999 178.491 176.600 -0.181 0.000 1.000 422 E CA 1.391 57.747 56.400 -0.072 0.000 0.804 422 E CB 0.076 29.813 29.700 0.062 0.000 0.740 422 E HN 0.148 nan 8.360 nan 0.000 0.454 423 V N 1.303 121.117 119.914 -0.165 0.000 2.407 423 V HA -0.214 3.907 4.120 0.001 0.000 0.248 423 V C 2.200 178.168 176.094 -0.210 0.000 1.055 423 V CA 1.602 63.770 62.300 -0.219 0.000 1.049 423 V CB -0.339 31.469 31.823 -0.025 0.000 0.662 423 V HN 0.234 nan 8.190 nan 0.000 0.455 424 E N 0.140 120.184 120.200 -0.259 0.000 2.076 424 E HA -0.196 4.155 4.350 0.001 0.000 0.190 424 E C 2.221 178.705 176.600 -0.192 0.000 0.979 424 E CA 0.994 57.235 56.400 -0.266 0.000 0.807 424 E CB -0.122 29.295 29.700 -0.472 0.000 0.761 424 E HN 0.449 nan 8.360 nan 0.000 0.454 425 K N 1.064 121.352 120.400 -0.187 0.000 2.280 425 K HA -0.048 4.273 4.320 0.001 0.000 0.202 425 K C 1.847 178.377 176.600 -0.117 0.000 1.047 425 K CA 0.557 56.764 56.287 -0.133 0.000 0.942 425 K CB -0.177 32.255 32.500 -0.114 0.000 0.739 425 K HN 0.031 nan 8.250 nan 0.000 0.457 426 L N -0.771 120.364 121.223 -0.146 0.000 2.599 426 L HA 0.171 4.511 4.340 0.001 0.000 0.230 426 L C 0.866 177.672 176.870 -0.107 0.000 1.141 426 L CA 0.451 55.210 54.840 -0.135 0.000 0.877 426 L CB 0.045 41.975 42.059 -0.215 0.000 1.009 426 L HN 0.541 nan 8.230 nan 0.000 0.447 427 G N -0.577 108.164 108.800 -0.098 0.000 2.131 427 G HA2 0.006 3.967 3.960 0.001 0.000 0.201 427 G HA3 0.006 3.967 3.960 0.001 0.000 0.201 427 G C 0.486 175.351 174.900 -0.059 0.000 1.000 427 G CA -0.149 44.911 45.100 -0.067 0.000 0.680 427 G HN 0.818 nan 8.290 nan 0.000 0.514 428 G N -2.219 106.531 108.800 -0.083 0.000 2.612 428 G HA2 0.226 4.187 3.960 0.001 0.000 0.686 428 G HA3 0.226 4.187 3.960 0.001 0.000 0.686 428 G C 0.441 175.297 174.900 -0.074 0.000 1.274 428 G CA 0.373 45.444 45.100 -0.049 0.000 0.849 428 G HN 1.375 nan 8.290 nan 0.000 0.595 429 M N 0.658 120.226 119.600 -0.054 0.000 2.254 429 M HA 0.107 4.588 4.480 0.001 0.000 0.265 429 M C 2.560 178.806 176.300 -0.090 0.000 1.066 429 M CA 2.830 58.068 55.300 -0.103 0.000 1.123 429 M CB -0.607 31.943 32.600 -0.082 0.000 1.388 429 M HN 0.647 nan 8.290 nan 0.000 0.425 430 S N -0.449 115.230 115.700 -0.035 0.000 2.356 430 S HA -0.163 4.308 4.470 0.001 0.000 0.223 430 S C 2.050 176.636 174.600 -0.024 0.000 1.032 430 S CA 1.555 59.753 58.200 -0.004 0.000 1.005 430 S CB -0.172 63.047 63.200 0.031 0.000 0.867 430 S HN 0.484 nan 8.310 nan 0.000 0.449 431 K N 1.248 121.625 120.400 -0.037 0.000 2.097 431 K HA 0.149 4.469 4.320 0.001 0.000 0.205 431 K C 2.450 179.004 176.600 -0.077 0.000 1.050 431 K CA 0.842 57.100 56.287 -0.048 0.000 0.938 431 K CB -1.071 31.399 32.500 -0.050 0.000 0.718 431 K HN 0.503 nan 8.250 nan 0.000 0.442 432 A N 0.639 123.383 122.820 -0.127 0.000 1.883 432 A HA -0.150 4.170 4.320 0.001 0.000 0.217 432 A C 2.436 179.933 177.584 -0.145 0.000 1.186 432 A CA 2.093 54.029 52.037 -0.168 0.000 0.624 432 A CB -0.820 18.013 19.000 -0.278 0.000 0.822 432 A HN 0.246 nan 8.150 nan 0.000 0.444 433 V N -0.332 119.490 119.914 -0.153 0.000 2.358 433 V HA -0.277 3.844 4.120 0.001 0.000 0.246 433 V C 2.631 178.697 176.094 -0.047 0.000 1.047 433 V CA 2.110 64.348 62.300 -0.102 0.000 1.035 433 V CB -0.593 31.198 31.823 -0.052 0.000 0.658 433 V HN 0.563 nan 8.190 nan 0.000 0.452 434 M N -1.029 118.551 119.600 -0.033 0.000 2.132 434 M HA -0.088 4.393 4.480 0.001 0.000 0.263 434 M C 1.515 177.806 176.300 -0.014 0.000 1.065 434 M CA 1.308 56.598 55.300 -0.015 0.000 1.122 434 M CB -0.380 32.216 32.600 -0.007 0.000 1.365 434 M HN 0.329 nan 8.290 nan 0.000 0.411 435 T N 0.010 114.554 114.554 -0.017 0.000 2.681 435 T HA -0.044 4.307 4.350 0.001 0.000 0.333 435 T C 0.968 175.671 174.700 0.004 0.000 1.049 435 T CA 0.081 62.178 62.100 -0.004 0.000 1.002 435 T CB 0.497 69.360 68.868 -0.008 0.000 1.161 435 T HN 0.126 nan 8.240 nan 0.000 0.519 436 E N -0.640 119.573 120.200 0.023 0.000 2.479 436 E HA 0.086 4.436 4.350 0.001 0.000 0.193 436 E C 1.440 178.064 176.600 0.040 0.000 1.049 436 E CA 0.280 56.695 56.400 0.025 0.000 0.870 436 E CB -0.350 29.365 29.700 0.025 0.000 0.944 436 E HN 0.597 nan 8.360 nan 0.000 0.492 437 H N 0.085 119.121 119.070 -0.055 0.000 2.289 437 H HA -0.113 4.444 4.556 0.001 0.000 0.296 437 H C 1.800 177.090 175.328 -0.063 0.000 1.091 437 H CA 2.223 58.240 56.048 -0.052 0.000 1.274 437 H CB -0.011 29.697 29.762 -0.091 0.000 1.364 437 H HN -0.022 nan 8.280 nan 0.000 0.490 438 V N -0.493 119.321 119.914 -0.167 0.000 2.358 438 V HA -0.257 3.863 4.120 0.001 0.000 0.246 438 V C 2.466 178.522 176.094 -0.063 0.000 1.047 438 V CA 2.251 64.335 62.300 -0.360 0.000 1.035 438 V CB -0.746 30.721 31.823 -0.592 0.000 0.658 438 V HN 0.552 nan 8.190 nan 0.000 0.452 439 T N -0.644 113.898 114.554 -0.021 0.000 2.746 439 T HA -0.245 4.105 4.350 0.001 0.000 0.267 439 T C 1.973 176.696 174.700 0.038 0.000 1.039 439 T CA 1.943 64.064 62.100 0.035 0.000 1.142 439 T CB -0.161 68.722 68.868 0.024 0.000 0.866 439 T HN 0.430 nan 8.240 nan 0.000 0.444 440 K N 0.552 120.954 120.400 0.004 0.000 2.026 440 K HA -0.062 4.259 4.320 0.001 0.000 0.208 440 K C 2.124 178.728 176.600 0.005 0.000 1.048 440 K CA 1.042 57.327 56.287 -0.004 0.000 0.929 440 K CB -0.266 32.215 32.500 -0.030 0.000 0.713 440 K HN 0.119 nan 8.250 nan 0.000 0.439 441 V N 1.545 121.463 119.914 0.007 0.000 2.307 441 V HA -0.231 3.890 4.120 0.001 0.000 0.245 441 V C 2.260 178.426 176.094 0.121 0.000 1.045 441 V CA 1.611 63.953 62.300 0.070 0.000 1.024 441 V CB -0.438 31.496 31.823 0.185 0.000 0.651 441 V HN 0.316 nan 8.190 nan 0.000 0.449 442 L N 0.015 121.360 121.223 0.204 0.000 2.079 442 L HA -0.223 4.117 4.340 0.001 0.000 0.210 442 L C 2.285 179.214 176.870 0.099 0.000 1.081 442 L CA 1.570 56.512 54.840 0.169 0.000 0.752 442 L CB -0.788 41.405 42.059 0.224 0.000 0.896 442 L HN 0.354 nan 8.230 nan 0.000 0.433 443 D N 0.010 120.454 120.400 0.075 0.000 2.183 443 D HA -0.086 4.554 4.640 0.001 0.000 0.203 443 D C 2.236 178.558 176.300 0.037 0.000 0.969 443 D CA 1.307 55.339 54.000 0.052 0.000 0.842 443 D CB 0.028 40.853 40.800 0.041 0.000 0.957 443 D HN 0.301 nan 8.370 nan 0.000 0.484 444 A N 0.247 123.086 122.820 0.031 0.000 1.873 444 A HA -0.159 4.162 4.320 0.001 0.000 0.215 444 A C 2.501 180.097 177.584 0.019 0.000 1.186 444 A CA 1.146 53.195 52.037 0.020 0.000 0.616 444 A CB -0.949 18.059 19.000 0.013 0.000 0.823 444 A HN 0.329 nan 8.150 nan 0.000 0.442 445 C N -0.201 119.111 119.300 0.020 0.000 2.436 445 C HA -0.097 4.363 4.460 0.001 0.000 0.277 445 C C 2.700 177.701 174.990 0.018 0.000 1.241 445 C CA 1.204 60.230 59.018 0.013 0.000 1.721 445 C CB -1.451 26.293 27.740 0.008 0.000 2.043 445 C HN 0.633 nan 8.230 nan 0.000 0.472 446 N N 1.097 119.814 118.700 0.028 0.000 2.166 446 N HA -0.081 4.659 4.740 0.001 0.000 0.186 446 N C 1.797 177.317 175.510 0.016 0.000 1.019 446 N CA 1.680 54.746 53.050 0.027 0.000 0.856 446 N CB -0.491 38.025 38.487 0.049 0.000 0.993 446 N HN 0.573 nan 8.380 nan 0.000 0.426 447 A N 0.832 123.662 122.820 0.017 0.000 1.897 447 A HA -0.114 4.207 4.320 0.001 0.000 0.215 447 A C 2.219 179.809 177.584 0.010 0.000 1.181 447 A CA 1.523 53.566 52.037 0.010 0.000 0.620 447 A CB -0.459 18.548 19.000 0.012 0.000 0.821 447 A HN 0.272 nan 8.150 nan 0.000 0.443 448 E N 0.076 120.285 120.200 0.015 0.000 2.072 448 E HA -0.167 4.184 4.350 0.001 0.000 0.191 448 E C 2.153 178.766 176.600 0.021 0.000 0.985 448 E CA 1.456 57.867 56.400 0.019 0.000 0.801 448 E CB -0.246 29.467 29.700 0.021 0.000 0.750 448 E HN 0.529 nan 8.360 nan 0.000 0.452 449 R N -0.368 120.143 120.500 0.019 0.000 2.073 449 R HA -0.096 4.245 4.340 0.001 0.000 0.234 449 R C 2.235 178.543 176.300 0.014 0.000 1.134 449 R CA 1.385 57.498 56.100 0.021 0.000 0.952 449 R CB -0.431 29.877 30.300 0.014 0.000 0.850 449 R HN 0.269 nan 8.270 nan 0.000 0.433 450 A N 1.112 123.930 122.820 -0.003 0.000 1.940 450 A HA -0.212 4.108 4.320 0.001 0.000 0.219 450 A C 2.055 179.629 177.584 -0.017 0.000 1.176 450 A CA 1.529 53.551 52.037 -0.026 0.000 0.631 450 A CB -0.468 18.509 19.000 -0.038 0.000 0.814 450 A HN 0.296 nan 8.150 nan 0.000 0.446 451 K N -0.445 119.955 120.400 0.000 0.000 2.025 451 K HA -0.107 4.214 4.320 0.001 0.000 0.207 451 K C 2.288 178.903 176.600 0.024 0.000 1.049 451 K CA 1.313 57.606 56.287 0.011 0.000 0.933 451 K CB -0.167 32.342 32.500 0.015 0.000 0.714 451 K HN 0.461 nan 8.250 nan 0.000 0.438 452 R N 0.375 120.894 120.500 0.033 0.000 2.092 452 R HA -0.020 4.321 4.340 0.001 0.000 0.231 452 R C 2.450 178.787 176.300 0.061 0.000 1.119 452 R CA 0.939 57.065 56.100 0.044 0.000 0.970 452 R CB -0.221 30.109 30.300 0.049 0.000 0.864 452 R HN 0.173 nan 8.270 nan 0.000 0.440 453 L N 0.028 121.297 121.223 0.076 0.000 2.046 453 L HA -0.145 4.195 4.340 0.001 0.000 0.208 453 L C 2.619 179.623 176.870 0.224 0.000 1.077 453 L CA 1.336 56.267 54.840 0.152 0.000 0.747 453 L CB -0.507 41.629 42.059 0.128 0.000 0.896 453 L HN 0.240 nan 8.230 nan 0.000 0.432 454 A N 1.032 123.907 122.820 0.091 0.000 1.968 454 A HA -0.170 4.150 4.320 0.001 0.000 0.217 454 A C 1.856 179.474 177.584 0.056 0.000 1.169 454 A CA 1.714 53.794 52.037 0.073 0.000 0.638 454 A CB -0.613 18.378 19.000 -0.015 0.000 0.812 454 A HN 0.638 nan 8.150 nan 0.000 0.446 455 N N -1.256 117.462 118.700 0.030 0.000 2.336 455 N HA -0.022 4.719 4.740 0.001 0.000 0.189 455 N C 0.348 175.852 175.510 -0.010 0.000 1.113 455 N CA 0.344 53.393 53.050 -0.002 0.000 0.858 455 N CB -0.407 38.087 38.487 0.011 0.000 0.970 455 N HN 0.445 nan 8.380 nan 0.000 0.471 456 R N -0.541 119.964 120.500 0.007 0.000 3.525 456 R HA -0.160 4.181 4.340 0.001 0.000 0.276 456 R C 0.093 176.386 176.300 -0.012 0.000 1.116 456 R CA 0.874 56.961 56.100 -0.021 0.000 0.745 456 R CB -1.755 28.485 30.300 -0.100 0.000 1.185 456 R HN 0.390 nan 8.270 nan 0.000 0.454 457 K N 0.607 121.015 120.400 0.014 0.000 2.426 457 K HA -0.037 4.283 4.320 0.001 0.000 0.193 457 K C 0.780 177.396 176.600 0.026 0.000 1.028 457 K CA 0.498 56.798 56.287 0.022 0.000 1.047 457 K CB 0.318 32.838 32.500 0.034 0.000 0.821 457 K HN 0.249 nan 8.250 nan 0.000 0.513 458 Q N 1.559 121.378 119.800 0.031 0.000 2.798 458 Q HA 0.187 4.527 4.340 0.001 0.000 0.250 458 Q C -2.627 173.389 176.000 0.028 0.000 1.006 458 Q CA -2.279 53.547 55.803 0.037 0.000 0.759 458 Q CB 1.254 30.032 28.738 0.067 0.000 1.201 458 Q HN -0.097 nan 8.270 nan 0.000 0.486 459 P HA 0.135 nan 4.420 nan 0.000 0.272 459 P C -0.551 176.722 177.300 -0.046 0.000 1.230 459 P CA 0.069 63.133 63.100 -0.061 0.000 0.788 459 P CB 1.135 32.788 31.700 -0.078 0.000 0.949 460 I N 0.823 121.341 120.570 -0.087 0.000 2.411 460 I HA 0.146 4.316 4.170 0.001 0.000 0.284 460 I C 0.293 176.359 176.117 -0.085 0.000 1.012 460 I CA -0.600 60.669 61.300 -0.053 0.000 1.119 460 I CB 1.374 39.358 38.000 -0.025 0.000 1.261 460 I HN 0.138 nan 8.210 nan 0.000 0.448 461 T N 5.386 119.917 114.554 -0.038 0.000 2.866 461 T HA 0.127 4.478 4.350 0.001 0.000 0.293 461 T C 1.086 175.780 174.700 -0.011 0.000 1.005 461 T CA 0.814 62.905 62.100 -0.015 0.000 1.162 461 T CB 0.605 69.475 68.868 0.003 0.000 0.968 461 T HN 0.945 nan 8.240 nan 0.000 0.530 462 A N 2.427 125.246 122.820 -0.002 0.000 2.952 462 A HA -0.151 4.170 4.320 0.001 0.000 0.252 462 A C 1.229 178.790 177.584 -0.038 0.000 1.323 462 A CA 1.177 53.219 52.037 0.008 0.000 0.957 462 A CB -2.120 16.899 19.000 0.033 0.000 1.130 462 A HN 0.696 nan 8.150 nan 0.000 0.799 463 V N -1.279 118.563 119.914 -0.120 0.000 3.279 463 V HA 0.112 4.233 4.120 0.001 0.000 0.213 463 V C 2.095 177.934 176.094 -0.425 0.000 1.335 463 V CA 1.661 63.847 62.300 -0.189 0.000 1.317 463 V CB 0.725 32.467 31.823 -0.135 0.000 1.209 463 V HN 1.251 nan 8.190 nan 0.000 0.525 464 S N -1.398 113.963 115.700 -0.566 0.000 2.512 464 S HA 0.267 4.737 4.470 0.001 0.000 0.216 464 S C 0.344 174.658 174.600 -0.476 0.000 1.006 464 S CA -0.128 57.624 58.200 -0.747 0.000 0.915 464 S CB 0.392 62.964 63.200 -1.046 0.000 0.824 464 S HN 0.403 nan 8.310 nan 0.000 0.497 465 E N 1.120 121.112 120.200 -0.347 0.000 2.224 465 E HA 0.431 4.781 4.350 0.001 0.000 0.265 465 E C -1.041 175.430 176.600 -0.215 0.000 0.878 465 E CA -0.951 55.232 56.400 -0.362 0.000 0.759 465 E CB 1.080 30.645 29.700 -0.226 0.000 1.164 465 E HN 0.257 nan 8.360 nan 0.000 0.414 466 F N 1.012 120.890 119.950 -0.119 0.000 2.783 466 F HA -0.223 4.305 4.527 0.001 0.000 0.222 466 F C -1.697 174.076 175.800 -0.044 0.000 1.028 466 F CA 0.110 58.072 58.000 -0.065 0.000 0.862 466 F CB -1.555 37.417 39.000 -0.045 0.000 0.744 466 F HN 0.238 nan 8.300 nan 0.000 0.850 467 P HA 0.299 nan 4.420 nan 0.000 0.274 467 P C -0.220 177.123 177.300 0.072 0.000 1.256 467 P CA -0.509 62.616 63.100 0.041 0.000 0.795 467 P CB 1.174 32.873 31.700 -0.002 0.000 1.038 468 M N 1.208 120.827 119.600 0.032 0.000 2.124 468 M HA 0.356 4.837 4.480 0.001 0.000 0.280 468 M C -0.897 175.390 176.300 -0.022 0.000 0.954 468 M CA -0.804 54.491 55.300 -0.008 0.000 0.958 468 M CB 0.721 33.320 32.600 -0.002 0.000 1.611 468 M HN 0.129 nan 8.290 nan 0.000 0.449 469 I N 4.934 125.460 120.570 -0.073 0.000 2.741 469 I HA 0.101 4.271 4.170 0.001 0.000 0.288 469 I C 1.298 177.399 176.117 -0.027 0.000 1.192 469 I CA 1.444 62.717 61.300 -0.045 0.000 1.426 469 I CB 0.256 38.210 38.000 -0.076 0.000 1.367 469 I HN 1.075 nan 8.210 nan 0.000 0.563 470 G N 4.358 113.160 108.800 0.002 0.000 2.137 470 G HA2 -0.161 3.799 3.960 0.001 0.000 0.237 470 G HA3 -0.161 3.799 3.960 0.001 0.000 0.237 470 G C 0.338 175.250 174.900 0.021 0.000 1.002 470 G CA -0.157 44.949 45.100 0.010 0.000 0.702 470 G HN 1.065 nan 8.290 nan 0.000 0.515 471 A N 0.131 122.970 122.820 0.032 0.000 2.520 471 A HA 0.542 4.863 4.320 0.001 0.000 0.245 471 A C 1.052 178.681 177.584 0.075 0.000 1.072 471 A CA 0.645 52.710 52.037 0.046 0.000 0.761 471 A CB 0.143 19.177 19.000 0.056 0.000 1.004 471 A HN 0.885 nan 8.150 nan 0.000 0.499 472 R N 2.280 122.823 120.500 0.072 0.000 2.494 472 R HA 0.134 4.475 4.340 0.001 0.000 0.291 472 R C 0.443 176.877 176.300 0.223 0.000 0.953 472 R CA 0.937 57.103 56.100 0.110 0.000 1.098 472 R CB 0.177 30.503 30.300 0.043 0.000 0.911 472 R HN 0.829 nan 8.270 nan 0.000 0.407 473 S N 3.154 118.981 115.700 0.213 0.000 2.786 473 S HA 0.713 5.183 4.470 0.001 0.000 0.302 473 S C -0.741 174.019 174.600 0.267 0.000 1.080 473 S CA -0.949 57.387 58.200 0.227 0.000 0.925 473 S CB 0.923 64.199 63.200 0.126 0.000 1.325 473 S HN 0.582 nan 8.310 nan 0.000 0.576 474 I N 0.747 121.414 120.570 0.162 0.000 2.827 474 I HA 0.460 4.630 4.170 0.001 0.000 0.298 474 I C -1.445 174.696 176.117 0.040 0.000 1.235 474 I CA -0.571 60.816 61.300 0.146 0.000 1.021 474 I CB 1.906 40.013 38.000 0.179 0.000 1.259 474 I HN 0.446 nan 8.210 nan 0.000 0.427 475 E N 4.721 124.944 120.200 0.039 0.000 2.265 475 E HA 0.276 4.627 4.350 0.001 0.000 0.272 475 E C -0.392 176.175 176.600 -0.056 0.000 1.067 475 E CA 0.078 56.474 56.400 -0.007 0.000 0.900 475 E CB 0.699 30.402 29.700 0.005 0.000 1.017 475 E HN 0.623 nan 8.360 nan 0.000 0.431 476 T N 0.212 114.704 114.554 -0.104 0.000 2.910 476 T HA 0.648 4.999 4.350 0.001 0.000 0.287 476 T C -0.102 174.485 174.700 -0.189 0.000 1.050 476 T CA -1.119 60.876 62.100 -0.175 0.000 1.011 476 T CB 1.467 70.184 68.868 -0.250 0.000 1.195 476 T HN 0.154 nan 8.240 nan 0.000 0.540 477 K N 1.363 121.610 120.400 -0.254 0.000 2.159 477 K HA 0.528 4.849 4.320 0.001 0.000 0.266 477 K C -2.758 173.672 176.600 -0.284 0.000 0.975 477 K CA -2.195 53.952 56.287 -0.233 0.000 0.865 477 K CB 1.054 33.403 32.500 -0.253 0.000 1.087 477 K HN 0.374 nan 8.250 nan 0.000 0.446 478 P HA -0.055 nan 4.420 nan 0.000 0.267 478 P C -0.745 176.468 177.300 -0.146 0.000 1.200 478 P CA 0.123 63.129 63.100 -0.158 0.000 0.772 478 P CB 0.272 31.941 31.700 -0.053 0.000 0.855 479 F N 2.877 122.821 119.950 -0.009 0.000 2.429 479 F HA 0.247 4.775 4.527 0.001 0.000 0.348 479 F C -1.190 174.603 175.800 -0.011 0.000 1.109 479 F CA -1.654 56.343 58.000 -0.005 0.000 1.232 479 F CB -1.021 37.995 39.000 0.026 0.000 1.157 479 F HN 0.227 nan 8.300 nan 0.000 0.564 480 P HA 0.193 nan 4.420 nan 0.000 0.269 480 P C -0.875 176.461 177.300 0.061 0.000 1.209 480 P CA -0.452 62.695 63.100 0.078 0.000 0.776 480 P CB 0.420 32.145 31.700 0.042 0.000 0.876 481 A N 2.197 125.030 122.820 0.021 0.000 2.511 481 A HA 0.463 4.784 4.320 0.001 0.000 0.242 481 A C 0.336 177.891 177.584 -0.049 0.000 1.069 481 A CA 0.205 52.241 52.037 -0.002 0.000 0.763 481 A CB -0.420 18.572 19.000 -0.013 0.000 1.001 481 A HN 0.608 nan 8.150 nan 0.000 0.498 482 A N 4.116 126.905 122.820 -0.052 0.000 2.318 482 A HA 0.724 5.045 4.320 0.001 0.000 0.324 482 A C -2.363 175.143 177.584 -0.130 0.000 1.170 482 A CA -1.624 50.349 52.037 -0.107 0.000 0.810 482 A CB 0.059 19.045 19.000 -0.022 0.000 1.198 482 A HN 0.711 nan 8.150 nan 0.000 0.484 483 P HA 0.303 nan 4.420 nan 0.000 0.265 483 P C 0.313 177.569 177.300 -0.073 0.000 1.187 483 P CA 0.195 63.156 63.100 -0.231 0.000 0.766 483 P CB 0.492 31.936 31.700 -0.427 0.000 0.820 484 A N 4.159 126.953 122.820 -0.043 0.000 2.492 484 A HA 0.238 4.559 4.320 0.001 0.000 0.236 484 A C 0.424 178.010 177.584 0.003 0.000 1.078 484 A CA 0.186 52.211 52.037 -0.020 0.000 0.773 484 A CB 0.072 19.055 19.000 -0.027 0.000 1.023 484 A HN 0.556 nan 8.150 nan 0.000 0.504 485 R N 0.014 120.485 120.500 -0.049 0.000 2.807 485 R HA 0.425 4.765 4.340 0.001 0.000 0.276 485 R C -0.258 175.971 176.300 -0.117 0.000 0.979 485 R CA -0.769 55.265 56.100 -0.111 0.000 0.928 485 R CB 1.880 32.024 30.300 -0.259 0.000 1.191 485 R HN 0.768 nan 8.270 nan 0.000 0.471 486 K N 0.131 120.456 120.400 -0.126 0.000 2.353 486 K HA 0.147 4.468 4.320 0.001 0.000 0.195 486 K C 0.959 177.500 176.600 -0.099 0.000 1.031 486 K CA 0.123 56.356 56.287 -0.090 0.000 1.079 486 K CB 1.039 33.500 32.500 -0.065 0.000 0.857 486 K HN 0.710 nan 8.250 nan 0.000 0.535 487 G N 0.670 109.380 108.800 -0.150 0.000 2.630 487 G HA2 0.240 4.201 3.960 0.001 0.000 0.223 487 G HA3 0.240 4.201 3.960 0.001 0.000 0.223 487 G C -0.318 174.505 174.900 -0.129 0.000 1.434 487 G CA -0.776 44.244 45.100 -0.134 0.000 1.057 487 G HN 0.031 nan 8.290 nan 0.000 0.570 488 L N 1.029 122.187 121.223 -0.108 0.000 2.706 488 L HA 0.099 4.440 4.340 0.001 0.000 0.282 488 L C 1.071 177.902 176.870 -0.066 0.000 1.219 488 L CA -0.276 54.545 54.840 -0.032 0.000 0.935 488 L CB -0.193 41.887 42.059 0.035 0.000 1.204 488 L HN 0.488 nan 8.230 nan 0.000 0.491 489 A N 5.406 128.248 122.820 0.036 0.000 2.363 489 A HA 0.352 4.672 4.320 0.001 0.000 0.270 489 A C -0.990 176.702 177.584 0.180 0.000 1.121 489 A CA -0.362 51.688 52.037 0.021 0.000 0.800 489 A CB 0.196 19.237 19.000 0.067 0.000 1.052 489 A HN 0.638 nan 8.150 nan 0.000 0.493 490 W N 2.533 123.681 121.300 -0.252 0.000 2.318 490 W HA 0.479 5.139 4.660 0.001 0.000 0.315 490 W C -0.323 176.092 176.519 -0.174 0.000 1.033 490 W CA -0.178 57.072 57.345 -0.157 0.000 1.275 490 W CB 0.591 29.891 29.460 -0.266 0.000 1.250 490 W HN 0.590 nan 8.180 nan 0.000 0.421 491 H N 2.385 121.701 119.070 0.410 0.000 2.782 491 H HA 0.387 4.944 4.556 0.001 0.000 0.347 491 H C 0.179 175.526 175.328 0.032 0.000 1.038 491 H CA -0.931 55.259 56.048 0.238 0.000 1.255 491 H CB 1.879 31.710 29.762 0.115 0.000 1.623 491 H HN 0.191 nan 8.280 nan 0.000 0.525 492 R N 1.154 121.598 120.500 -0.093 0.000 2.641 492 R HA 0.004 4.345 4.340 0.001 0.000 0.269 492 R C 0.443 176.664 176.300 -0.131 0.000 1.074 492 R CA -0.450 55.443 56.100 -0.346 0.000 1.133 492 R CB 0.799 30.735 30.300 -0.607 0.000 1.029 492 R HN 0.559 nan 8.270 nan 0.000 0.488 493 D N 0.390 120.719 120.400 -0.118 0.000 2.149 493 D HA -0.151 4.490 4.640 0.001 0.000 0.198 493 D C 1.525 177.830 176.300 0.008 0.000 0.990 493 D CA 1.914 55.892 54.000 -0.037 0.000 0.839 493 D CB -0.065 40.737 40.800 0.004 0.000 0.948 493 D HN 0.531 nan 8.370 nan 0.000 0.460 494 S N -0.487 115.234 115.700 0.034 0.000 2.593 494 S HA 0.072 4.543 4.470 0.001 0.000 0.217 494 S C 1.506 176.141 174.600 0.058 0.000 0.966 494 S CA -0.154 58.138 58.200 0.154 0.000 0.914 494 S CB 0.079 63.366 63.200 0.145 0.000 0.776 494 S HN 0.181 nan 8.310 nan 0.000 0.523 495 E N 1.166 121.348 120.200 -0.031 0.000 2.097 495 E HA -0.137 4.214 4.350 0.001 0.000 0.196 495 E C 1.971 178.497 176.600 -0.123 0.000 1.000 495 E CA 1.327 57.700 56.400 -0.045 0.000 0.804 495 E CB -0.426 29.259 29.700 -0.024 0.000 0.740 495 E HN 0.400 nan 8.360 nan 0.000 0.454 496 V N 0.475 120.228 119.914 -0.269 0.000 2.380 496 V HA -0.275 3.846 4.120 0.001 0.000 0.251 496 V C 1.727 177.572 176.094 -0.415 0.000 1.063 496 V CA 1.848 63.906 62.300 -0.404 0.000 1.055 496 V CB -0.357 31.119 31.823 -0.577 0.000 0.657 496 V HN 0.207 nan 8.190 nan 0.000 0.455 497 F N 0.484 120.414 119.950 -0.033 0.000 2.234 497 F HA 0.009 4.536 4.527 0.001 0.000 0.296 497 F C 2.376 178.168 175.800 -0.013 0.000 1.089 497 F CA 1.422 59.404 58.000 -0.029 0.000 1.343 497 F CB -0.787 38.191 39.000 -0.037 0.000 1.040 497 F HN 0.211 nan 8.300 nan 0.000 0.498 498 E N 0.135 120.413 120.200 0.130 0.000 2.106 498 E HA -0.222 4.128 4.350 0.001 0.000 0.192 498 E C 2.090 178.720 176.600 0.050 0.000 0.984 498 E CA 1.213 57.663 56.400 0.083 0.000 0.806 498 E CB -0.286 29.453 29.700 0.064 0.000 0.750 498 E HN 0.531 nan 8.360 nan 0.000 0.458 499 Q N 0.405 120.214 119.800 0.015 0.000 2.084 499 Q HA -0.133 4.207 4.340 0.001 0.000 0.202 499 Q C 2.284 178.296 176.000 0.020 0.000 0.978 499 Q CA 1.051 56.857 55.803 0.005 0.000 0.844 499 Q CB -0.091 28.629 28.738 -0.031 0.000 0.898 499 Q HN 0.289 nan 8.270 nan 0.000 0.426 500 L N -0.220 121.020 121.223 0.029 0.000 2.083 500 L HA -0.189 4.152 4.340 0.001 0.000 0.209 500 L C 2.435 179.347 176.870 0.069 0.000 1.083 500 L CA 0.628 55.499 54.840 0.053 0.000 0.752 500 L CB -0.368 41.737 42.059 0.078 0.000 0.899 500 L HN 0.353 nan 8.230 nan 0.000 0.433 501 M N -0.489 119.159 119.600 0.080 0.000 2.108 501 M HA -0.219 4.262 4.480 0.001 0.000 0.261 501 M C 1.875 178.209 176.300 0.057 0.000 1.066 501 M CA 1.687 57.031 55.300 0.073 0.000 1.107 501 M CB -1.071 31.574 32.600 0.075 0.000 1.356 501 M HN 0.254 nan 8.290 nan 0.000 0.406 502 D N -0.356 120.074 120.400 0.050 0.000 2.144 502 D HA -0.107 4.534 4.640 0.001 0.000 0.200 502 D C 2.142 178.465 176.300 0.040 0.000 0.978 502 D CA 0.906 54.931 54.000 0.042 0.000 0.833 502 D CB -0.282 40.541 40.800 0.038 0.000 0.961 502 D HN 0.385 nan 8.370 nan 0.000 0.470 503 R N 0.741 121.265 120.500 0.040 0.000 2.094 503 R HA -0.092 4.249 4.340 0.001 0.000 0.239 503 R C 2.441 178.768 176.300 0.044 0.000 1.137 503 R CA 1.549 57.673 56.100 0.040 0.000 0.943 503 R CB -0.420 29.906 30.300 0.043 0.000 0.850 503 R HN 0.055 nan 8.270 nan 0.000 0.433 504 S N -0.151 115.580 115.700 0.052 0.000 2.423 504 S HA -0.086 4.384 4.470 0.001 0.000 0.231 504 S C 1.826 176.452 174.600 0.043 0.000 1.014 504 S CA 1.400 59.630 58.200 0.051 0.000 0.965 504 S CB -0.071 63.167 63.200 0.064 0.000 0.785 504 S HN 0.363 nan 8.310 nan 0.000 0.495 505 T N 2.080 116.658 114.554 0.041 0.000 2.985 505 T HA -0.040 4.311 4.350 0.001 0.000 0.266 505 T C 2.300 177.018 174.700 0.030 0.000 1.076 505 T CA 1.142 63.263 62.100 0.035 0.000 1.135 505 T CB -0.284 68.605 68.868 0.036 0.000 0.890 505 T HN 0.655 nan 8.240 nan 0.000 0.480 506 S N 0.945 116.663 115.700 0.030 0.000 2.356 506 S HA -0.026 4.445 4.470 0.001 0.000 0.223 506 S C 1.129 175.742 174.600 0.023 0.000 1.032 506 S CA 0.374 58.590 58.200 0.026 0.000 1.005 506 S CB -0.770 62.446 63.200 0.026 0.000 0.867 506 S HN 0.223 nan 8.310 nan 0.000 0.449 507 V N 3.135 123.063 119.914 0.024 0.000 2.963 507 V HA 0.161 4.281 4.120 0.001 0.000 0.306 507 V C 1.935 178.040 176.094 0.018 0.000 1.077 507 V CA 0.420 62.732 62.300 0.021 0.000 1.124 507 V CB 1.132 32.969 31.823 0.023 0.000 0.987 507 V HN 0.720 nan 8.190 nan 0.000 0.487 508 S N 1.632 117.340 115.700 0.014 0.000 2.368 508 S HA -0.090 4.380 4.470 0.001 0.000 0.224 508 S C 0.806 175.412 174.600 0.010 0.000 1.029 508 S CA 1.019 59.225 58.200 0.011 0.000 0.988 508 S CB -0.055 63.150 63.200 0.008 0.000 0.838 508 S HN 0.670 nan 8.310 nan 0.000 0.462 509 E N 1.183 121.389 120.200 0.010 0.000 2.113 509 E HA 0.416 4.766 4.350 0.001 0.000 0.273 509 E C -0.413 176.196 176.600 0.014 0.000 0.924 509 E CA -0.758 55.647 56.400 0.008 0.000 0.764 509 E CB 1.073 30.775 29.700 0.003 0.000 1.104 509 E HN 0.519 nan 8.360 nan 0.000 0.406 510 R N 4.345 124.855 120.500 0.017 0.000 2.538 510 R HA 0.110 4.450 4.340 0.001 0.000 0.282 510 R C -2.088 174.227 176.300 0.025 0.000 1.009 510 R CA -1.000 55.114 56.100 0.025 0.000 1.063 510 R CB 0.233 30.548 30.300 0.026 0.000 0.945 510 R HN 0.328 nan 8.270 nan 0.000 0.414 511 P HA -0.028 nan 4.420 nan 0.000 0.265 511 P C -1.212 176.099 177.300 0.019 0.000 1.187 511 P CA 0.493 63.609 63.100 0.027 0.000 0.766 511 P CB 0.489 32.214 31.700 0.041 0.000 0.820 512 K N 1.061 121.457 120.400 -0.007 0.000 2.371 512 K HA 0.639 4.959 4.320 0.001 0.000 0.251 512 K C -1.268 175.274 176.600 -0.097 0.000 0.934 512 K CA -1.022 55.251 56.287 -0.024 0.000 0.798 512 K CB 2.294 34.793 32.500 -0.001 0.000 1.204 512 K HN 0.060 nan 8.250 nan 0.000 0.427 513 V N 3.344 123.135 119.914 -0.205 0.000 2.483 513 V HA 0.278 4.398 4.120 0.001 0.000 0.297 513 V C -1.106 174.868 176.094 -0.201 0.000 1.027 513 V CA -0.856 61.202 62.300 -0.403 0.000 0.855 513 V CB 1.155 32.257 31.823 -1.202 0.000 0.995 513 V HN 0.661 nan 8.190 nan 0.000 0.424 514 F N 6.315 126.194 119.950 -0.119 0.000 2.445 514 F HA 0.530 5.058 4.527 0.001 0.000 0.359 514 F C -0.039 175.753 175.800 -0.014 0.000 1.101 514 F CA -0.439 57.562 58.000 0.001 0.000 1.177 514 F CB 0.643 39.772 39.000 0.215 0.000 1.110 514 F HN 0.338 nan 8.300 nan 0.000 0.522 515 L N 7.444 128.272 121.223 -0.657 0.000 2.261 515 L HA 0.417 4.758 4.340 0.001 0.000 0.289 515 L C 0.267 176.717 176.870 -0.700 0.000 1.059 515 L CA -0.817 53.738 54.840 -0.475 0.000 0.816 515 L CB 0.818 42.712 42.059 -0.274 0.000 1.191 515 L HN 0.781 nan 8.230 nan 0.000 0.431 516 A N 3.780 126.417 122.820 -0.305 0.000 2.798 516 A HA 0.357 4.677 4.320 0.001 0.000 0.316 516 A C 0.027 177.514 177.584 -0.162 0.000 1.506 516 A CA -0.408 51.549 52.037 -0.132 0.000 1.162 516 A CB -0.377 18.691 19.000 0.114 0.000 1.138 516 A HN 0.780 nan 8.150 nan 0.000 0.532 517 C N 3.151 122.231 119.300 -0.367 0.000 2.415 517 C HA 0.484 4.944 4.460 0.001 0.000 0.369 517 C C 0.502 175.276 174.990 -0.359 0.000 1.279 517 C CA -0.408 58.261 59.018 -0.582 0.000 1.886 517 C CB -0.889 25.953 27.740 -1.498 0.000 2.468 517 C HN 0.698 nan 8.230 nan 0.000 0.553 518 L N 4.052 125.211 121.223 -0.106 0.000 2.325 518 L HA 0.748 5.089 4.340 0.001 0.000 0.278 518 L C 0.880 177.849 176.870 0.164 0.000 1.023 518 L CA 0.374 55.227 54.840 0.022 0.000 0.811 518 L CB 0.983 43.038 42.059 -0.007 0.000 1.249 518 L HN 1.034 nan 8.230 nan 0.000 0.431 519 G N 1.896 110.782 108.800 0.142 0.000 2.527 519 G HA2 -0.215 3.746 3.960 0.001 0.000 0.227 519 G HA3 -0.215 3.746 3.960 0.001 0.000 0.227 519 G C -0.156 174.876 174.900 0.220 0.000 1.291 519 G CA -0.196 44.981 45.100 0.129 0.000 0.904 519 G HN 0.860 nan 8.290 nan 0.000 0.577 520 T N -2.336 112.263 114.554 0.076 0.000 2.897 520 T HA 0.626 4.977 4.350 0.001 0.000 0.278 520 T C 1.424 175.871 174.700 -0.422 0.000 0.981 520 T CA 0.616 62.686 62.100 -0.049 0.000 0.973 520 T CB 1.876 70.695 68.868 -0.082 0.000 1.092 520 T HN 1.018 nan 8.240 nan 0.000 0.543 521 R N -0.091 120.058 120.500 -0.585 0.000 2.152 521 R HA -0.000 4.340 4.340 0.001 0.000 0.232 521 R C 2.443 178.397 176.300 -0.577 0.000 1.117 521 R CA 0.994 56.532 56.100 -0.938 0.000 0.981 521 R CB -0.155 29.831 30.300 -0.523 0.000 0.870 521 R HN 0.669 nan 8.270 nan 0.000 0.451 522 R N 0.199 120.507 120.500 -0.319 0.000 2.120 522 R HA -0.101 4.239 4.340 0.001 0.000 0.234 522 R C 1.391 177.581 176.300 -0.182 0.000 1.123 522 R CA 1.576 57.553 56.100 -0.205 0.000 0.975 522 R CB -0.107 30.114 30.300 -0.131 0.000 0.866 522 R HN 0.388 nan 8.270 nan 0.000 0.446 523 D N 0.340 120.623 120.400 -0.195 0.000 2.110 523 D HA -0.112 4.528 4.640 0.001 0.000 0.202 523 D C 1.703 177.956 176.300 -0.078 0.000 0.975 523 D CA 1.208 55.134 54.000 -0.123 0.000 0.839 523 D CB -0.175 40.579 40.800 -0.077 0.000 0.996 523 D HN 0.299 nan 8.370 nan 0.000 0.464 524 F N 0.529 120.438 119.950 -0.067 0.000 2.698 524 F HA 0.450 4.977 4.527 0.001 0.000 0.295 524 F C 2.016 177.807 175.800 -0.015 0.000 1.124 524 F CA 0.099 58.064 58.000 -0.058 0.000 1.426 524 F CB -0.929 38.041 39.000 -0.049 0.000 1.120 524 F HN -0.129 nan 8.300 nan 0.000 0.583 525 G N 1.619 110.370 108.800 -0.082 0.000 2.599 525 G HA2 -0.295 3.666 3.960 0.001 0.000 0.219 525 G HA3 -0.295 3.666 3.960 0.001 0.000 0.219 525 G C 1.923 176.885 174.900 0.104 0.000 1.193 525 G CA 1.395 46.497 45.100 0.003 0.000 0.778 525 G HN 0.637 nan 8.290 nan 0.000 0.589 526 G N 0.661 109.502 108.800 0.068 0.000 2.672 526 G HA2 -0.322 3.639 3.960 0.001 0.000 0.218 526 G HA3 -0.322 3.639 3.960 0.001 0.000 0.218 526 G C 1.975 176.958 174.900 0.139 0.000 1.238 526 G CA 1.519 46.669 45.100 0.082 0.000 0.791 526 G HN 0.416 nan 8.290 nan 0.000 0.606 527 R N 0.116 120.703 120.500 0.145 0.000 2.115 527 R HA 0.077 4.417 4.340 0.001 0.000 0.230 527 R C 2.472 178.911 176.300 0.232 0.000 1.111 527 R CA 1.049 57.264 56.100 0.191 0.000 0.976 527 R CB -0.372 30.039 30.300 0.184 0.000 0.870 527 R HN 0.464 nan 8.270 nan 0.000 0.445 528 E N -0.273 120.065 120.200 0.229 0.000 2.107 528 E HA -0.073 4.278 4.350 0.001 0.000 0.191 528 E C 1.836 178.539 176.600 0.172 0.000 0.982 528 E CA 1.352 57.869 56.400 0.196 0.000 0.809 528 E CB -0.191 29.654 29.700 0.242 0.000 0.756 528 E HN 0.367 nan 8.360 nan 0.000 0.459 529 G N 0.318 109.231 108.800 0.188 0.000 2.422 529 G HA2 -0.278 3.682 3.960 0.001 0.000 0.218 529 G HA3 -0.278 3.682 3.960 0.001 0.000 0.218 529 G C 1.492 176.481 174.900 0.149 0.000 1.146 529 G CA 0.692 45.899 45.100 0.179 0.000 0.769 529 G HN 0.332 nan 8.290 nan 0.000 0.547 530 F N 2.085 122.040 119.950 0.010 0.000 2.128 530 F HA -0.017 4.511 4.527 0.001 0.000 0.295 530 F C 2.868 178.581 175.800 -0.144 0.000 1.100 530 F CA 1.889 59.845 58.000 -0.074 0.000 1.260 530 F CB -0.092 38.880 39.000 -0.046 0.000 1.009 530 F HN 0.149 nan 8.300 nan 0.000 0.476 531 S N -1.053 114.634 115.700 -0.023 0.000 2.395 531 S HA -0.127 4.343 4.470 0.001 0.000 0.225 531 S C 2.146 176.595 174.600 -0.251 0.000 1.027 531 S CA 0.892 58.990 58.200 -0.170 0.000 0.965 531 S CB -0.461 62.826 63.200 0.145 0.000 0.812 531 S HN 0.422 nan 8.310 nan 0.000 0.482 532 S N 2.310 117.943 115.700 -0.112 0.000 2.359 532 S HA -0.083 4.387 4.470 0.001 0.000 0.222 532 S C -0.866 173.360 174.600 -0.623 0.000 1.038 532 S CA 1.629 59.702 58.200 -0.212 0.000 1.051 532 S CB -1.166 62.014 63.200 -0.033 0.000 0.944 532 S HN 0.314 nan 8.310 nan 0.000 0.433 533 P HA -0.046 nan 4.420 nan 0.000 0.216 533 P C 1.609 178.616 177.300 -0.487 0.000 1.150 533 P CA 0.835 63.709 63.100 -0.377 0.000 0.837 533 P CB -0.199 31.255 31.700 -0.409 0.000 0.786 534 V N -1.338 118.183 119.914 -0.655 0.000 2.252 534 V HA -0.246 3.875 4.120 0.001 0.000 0.249 534 V C 2.159 177.884 176.094 -0.615 0.000 1.056 534 V CA 2.036 63.901 62.300 -0.725 0.000 1.022 534 V CB -1.608 29.636 31.823 -0.965 0.000 0.641 534 V HN 0.140 nan 8.190 nan 0.000 0.445 535 W N -0.265 120.833 121.300 -0.337 0.000 2.363 535 W HA -0.148 4.512 4.660 0.001 0.000 0.296 535 W C 2.512 178.949 176.519 -0.137 0.000 1.212 535 W CA 1.436 58.636 57.345 -0.241 0.000 1.260 535 W CB -0.703 28.615 29.460 -0.237 0.000 1.131 535 W HN 0.399 nan 8.180 nan 0.000 0.530 536 H N -0.147 118.968 119.070 0.074 0.000 2.489 536 H HA -0.100 4.457 4.556 0.001 0.000 0.293 536 H C 2.008 177.322 175.328 -0.023 0.000 1.066 536 H CA 1.109 57.174 56.048 0.029 0.000 1.305 536 H CB -0.324 29.443 29.762 0.009 0.000 1.386 536 H HN 0.173 nan 8.280 nan 0.000 0.551 537 I N 0.911 121.477 120.570 -0.007 0.000 2.151 537 I HA -0.297 3.873 4.170 0.001 0.000 0.243 537 I C 2.377 178.520 176.117 0.044 0.000 1.080 537 I CA 1.282 62.544 61.300 -0.063 0.000 1.339 537 I CB -0.235 37.663 38.000 -0.170 0.000 1.039 537 I HN 0.337 nan 8.210 nan 0.000 0.409 538 A N 0.240 123.106 122.820 0.077 0.000 2.307 538 A HA 0.377 4.697 4.320 0.001 0.000 0.218 538 A C 1.630 179.281 177.584 0.111 0.000 1.228 538 A CA 0.575 52.675 52.037 0.105 0.000 0.857 538 A CB -0.588 18.477 19.000 0.108 0.000 0.897 538 A HN 0.608 nan 8.150 nan 0.000 0.495 539 G N -0.321 108.551 108.800 0.119 0.000 2.221 539 G HA2 -0.230 3.730 3.960 0.001 0.000 0.265 539 G HA3 -0.230 3.730 3.960 0.001 0.000 0.265 539 G C -0.028 174.949 174.900 0.128 0.000 1.041 539 G CA 0.375 45.540 45.100 0.110 0.000 0.807 539 G HN 0.501 nan 8.290 nan 0.000 0.502 540 I N 1.130 121.810 120.570 0.183 0.000 2.304 540 I HA 0.208 4.379 4.170 0.001 0.000 0.291 540 I C 0.198 176.446 176.117 0.219 0.000 1.018 540 I CA -0.854 60.550 61.300 0.172 0.000 1.260 540 I CB 0.725 38.851 38.000 0.210 0.000 1.390 540 I HN -0.014 nan 8.210 nan 0.000 0.475 541 D N 4.291 124.772 120.400 0.135 0.000 2.378 541 D HA 0.094 4.735 4.640 0.001 0.000 0.238 541 D C 0.413 176.784 176.300 0.119 0.000 1.180 541 D CA 0.505 54.584 54.000 0.131 0.000 0.895 541 D CB 1.011 41.849 40.800 0.064 0.000 1.192 541 D HN 0.544 nan 8.370 nan 0.000 0.438 542 T N -1.333 113.315 114.554 0.158 0.000 3.317 542 T HA 0.377 4.727 4.350 0.001 0.000 0.361 542 T C -2.538 172.190 174.700 0.046 0.000 1.499 542 T CA -1.577 60.572 62.100 0.082 0.000 1.529 542 T CB 1.117 70.073 68.868 0.148 0.000 0.997 542 T HN 0.085 nan 8.240 nan 0.000 0.624 543 P HA 0.271 nan 4.420 nan 0.000 0.270 543 P C -0.580 176.668 177.300 -0.086 0.000 1.223 543 P CA 0.012 63.159 63.100 0.079 0.000 0.785 543 P CB 0.815 32.637 31.700 0.204 0.000 0.923 544 Q N -0.467 119.249 119.800 -0.141 0.000 2.738 544 Q HA 0.680 5.021 4.340 0.001 0.000 0.301 544 Q C -2.114 173.728 176.000 -0.263 0.000 0.901 544 Q CA -1.100 54.398 55.803 -0.509 0.000 0.756 544 Q CB 1.575 30.119 28.738 -0.323 0.000 1.463 544 Q HN 0.260 nan 8.270 nan 0.000 0.432 545 V N 0.055 119.758 119.914 -0.353 0.000 2.876 545 V HA 0.419 4.540 4.120 0.001 0.000 0.312 545 V C -1.323 174.653 176.094 -0.196 0.000 1.085 545 V CA -0.471 61.793 62.300 -0.061 0.000 0.945 545 V CB 2.162 34.088 31.823 0.173 0.000 1.017 545 V HN 0.881 nan 8.190 nan 0.000 0.428 546 E N 4.729 124.876 120.200 -0.088 0.000 2.026 546 E HA 0.500 4.850 4.350 0.001 0.000 0.253 546 E C 0.537 177.169 176.600 0.054 0.000 1.056 546 E CA 0.581 56.932 56.400 -0.082 0.000 0.927 546 E CB 0.726 30.542 29.700 0.193 0.000 1.172 546 E HN 1.237 nan 8.360 nan 0.000 0.445 547 G N 2.066 110.838 108.800 -0.047 0.000 2.697 547 G HA2 -0.011 3.949 3.960 0.001 0.000 0.240 547 G HA3 -0.011 3.949 3.960 0.001 0.000 0.240 547 G C 0.285 175.227 174.900 0.071 0.000 1.346 547 G CA -0.551 44.598 45.100 0.081 0.000 0.887 547 G HN 1.010 nan 8.290 nan 0.000 0.569 548 G N -3.286 105.560 108.800 0.076 0.000 2.371 548 G HA2 0.576 4.537 3.960 0.001 0.000 0.663 548 G HA3 0.576 4.537 3.960 0.001 0.000 0.663 548 G C 0.209 175.141 174.900 0.055 0.000 1.311 548 G CA 0.593 45.731 45.100 0.064 0.000 0.985 548 G HN 2.810 nan 8.290 nan 0.000 0.566 549 T N -2.238 112.345 114.554 0.048 0.000 2.754 549 T HA 0.537 4.888 4.350 0.001 0.000 0.286 549 T C 1.736 176.464 174.700 0.047 0.000 0.997 549 T CA 1.037 63.162 62.100 0.041 0.000 0.982 549 T CB 0.870 69.759 68.868 0.035 0.000 1.027 549 T HN 0.919 nan 8.240 nan 0.000 0.529 550 T N 1.148 115.727 114.554 0.041 0.000 2.652 550 T HA -0.099 4.251 4.350 0.001 0.000 0.267 550 T C 2.407 177.135 174.700 0.046 0.000 1.039 550 T CA 1.649 63.775 62.100 0.044 0.000 1.153 550 T CB -1.025 67.865 68.868 0.036 0.000 0.863 550 T HN 0.778 nan 8.240 nan 0.000 0.428 551 A N 1.515 124.359 122.820 0.039 0.000 1.892 551 A HA -0.220 4.100 4.320 0.001 0.000 0.218 551 A C 2.185 179.797 177.584 0.047 0.000 1.188 551 A CA 2.097 54.157 52.037 0.039 0.000 0.631 551 A CB -0.698 18.320 19.000 0.030 0.000 0.822 551 A HN 0.619 nan 8.150 nan 0.000 0.447 552 E N -0.478 119.753 120.200 0.052 0.000 2.077 552 E HA -0.143 4.207 4.350 0.001 0.000 0.193 552 E C 1.881 178.534 176.600 0.090 0.000 0.989 552 E CA 1.181 57.618 56.400 0.062 0.000 0.800 552 E CB -0.311 29.425 29.700 0.060 0.000 0.746 552 E HN 0.716 nan 8.360 nan 0.000 0.452 553 I N 0.561 121.194 120.570 0.105 0.000 2.127 553 I HA -0.306 3.865 4.170 0.001 0.000 0.241 553 I C 2.318 178.533 176.117 0.163 0.000 1.075 553 I CA 0.990 62.388 61.300 0.164 0.000 1.334 553 I CB -0.349 37.732 38.000 0.134 0.000 1.040 553 I HN 0.003 nan 8.210 nan 0.000 0.405 554 V N 1.595 121.573 119.914 0.106 0.000 2.287 554 V HA -0.307 3.814 4.120 0.001 0.000 0.248 554 V C 2.488 178.628 176.094 0.076 0.000 1.053 554 V CA 2.457 64.817 62.300 0.100 0.000 1.027 554 V CB -1.133 30.730 31.823 0.068 0.000 0.646 554 V HN 0.620 nan 8.190 nan 0.000 0.447 555 E N 1.525 121.752 120.200 0.045 0.000 2.110 555 E HA -0.168 4.182 4.350 0.001 0.000 0.193 555 E C 2.153 178.740 176.600 -0.022 0.000 0.988 555 E CA 1.418 57.823 56.400 0.009 0.000 0.804 555 E CB -0.530 29.179 29.700 0.014 0.000 0.745 555 E HN 0.506 nan 8.360 nan 0.000 0.458 556 A N 1.207 124.041 122.820 0.023 0.000 1.877 556 A HA -0.130 4.191 4.320 0.001 0.000 0.216 556 A C 2.047 179.460 177.584 -0.285 0.000 1.186 556 A CA 1.292 53.345 52.037 0.027 0.000 0.620 556 A CB -0.919 18.229 19.000 0.247 0.000 0.822 556 A HN 0.413 nan 8.150 nan 0.000 0.443 557 F N 1.115 120.670 119.950 -0.657 0.000 2.043 557 F HA -0.241 4.287 4.527 0.001 0.000 0.297 557 F C 2.142 177.563 175.800 -0.632 0.000 1.121 557 F CA 2.431 59.698 58.000 -1.222 0.000 1.199 557 F CB -0.437 38.130 39.000 -0.721 0.000 0.968 557 F HN 0.158 nan 8.300 nan 0.000 0.478 558 K N -0.130 119.979 120.400 -0.486 0.000 2.103 558 K HA -0.249 4.072 4.320 0.001 0.000 0.207 558 K C 2.078 178.459 176.600 -0.364 0.000 1.048 558 K CA 1.803 57.821 56.287 -0.449 0.000 0.930 558 K CB -0.313 32.087 32.500 -0.166 0.000 0.716 558 K HN 0.103 nan 8.250 nan 0.000 0.444 559 K N 1.179 121.425 120.400 -0.257 0.000 2.211 559 K HA -0.096 4.225 4.320 0.001 0.000 0.203 559 K C 2.010 178.504 176.600 -0.177 0.000 1.050 559 K CA 1.559 57.746 56.287 -0.166 0.000 0.945 559 K CB -0.167 32.280 32.500 -0.088 0.000 0.732 559 K HN 0.174 nan 8.250 nan 0.000 0.451 560 S N -1.083 114.459 115.700 -0.263 0.000 2.383 560 S HA -0.019 4.452 4.470 0.001 0.000 0.227 560 S C 1.620 176.103 174.600 -0.196 0.000 1.026 560 S CA 1.123 59.219 58.200 -0.173 0.000 0.981 560 S CB -0.615 62.501 63.200 -0.141 0.000 0.818 560 S HN 0.547 nan 8.310 nan 0.000 0.472 561 G N 0.689 109.295 108.800 -0.323 0.000 2.141 561 G HA2 -0.008 3.953 3.960 0.001 0.000 0.242 561 G HA3 -0.008 3.953 3.960 0.001 0.000 0.242 561 G C 0.154 174.898 174.900 -0.261 0.000 0.982 561 G CA 0.096 45.041 45.100 -0.258 0.000 0.662 561 G HN 1.308 nan 8.290 nan 0.000 0.527 562 A N -0.515 122.087 122.820 -0.363 0.000 2.340 562 A HA 0.735 5.055 4.320 0.001 0.000 0.268 562 A C 1.011 178.490 177.584 -0.175 0.000 1.100 562 A CA 0.602 52.526 52.037 -0.187 0.000 0.803 562 A CB 0.515 19.500 19.000 -0.024 0.000 1.043 562 A HN 0.482 nan 8.150 nan 0.000 0.488 563 Q N 0.268 120.079 119.800 0.017 0.000 2.352 563 Q HA 0.277 4.617 4.340 0.001 0.000 0.212 563 Q C -0.529 175.611 176.000 0.234 0.000 0.888 563 Q CA 0.258 56.129 55.803 0.113 0.000 0.934 563 Q CB 0.770 29.545 28.738 0.063 0.000 1.093 563 Q HN 0.420 nan 8.270 nan 0.000 0.523 564 V N 0.456 120.510 119.914 0.234 0.000 2.789 564 V HA 0.780 4.900 4.120 0.001 0.000 0.311 564 V C -1.060 175.183 176.094 0.248 0.000 1.073 564 V CA -0.861 61.560 62.300 0.202 0.000 0.921 564 V CB 1.877 33.777 31.823 0.129 0.000 1.009 564 V HN 0.184 nan 8.190 nan 0.000 0.426 565 A N 2.601 125.537 122.820 0.193 0.000 2.423 565 A HA 0.860 5.181 4.320 0.001 0.000 0.304 565 A C -1.449 176.245 177.584 0.182 0.000 1.104 565 A CA -0.503 51.652 52.037 0.197 0.000 0.757 565 A CB 1.813 20.849 19.000 0.060 0.000 1.313 565 A HN 0.747 nan 8.150 nan 0.000 0.423 566 D N 1.266 121.755 120.400 0.149 0.000 2.549 566 D HA 0.439 5.080 4.640 0.001 0.000 0.251 566 D C -0.991 175.429 176.300 0.200 0.000 1.153 566 D CA -0.206 53.943 54.000 0.247 0.000 0.861 566 D CB 0.863 41.833 40.800 0.284 0.000 1.207 566 D HN 0.410 nan 8.370 nan 0.000 0.543 567 L N 3.434 124.801 121.223 0.239 0.000 2.313 567 L HA 0.357 4.697 4.340 0.001 0.000 0.282 567 L C -0.336 176.742 176.870 0.346 0.000 1.092 567 L CA -0.510 54.487 54.840 0.262 0.000 0.831 567 L CB 0.747 42.990 42.059 0.307 0.000 1.159 567 L HN 0.395 nan 8.230 nan 0.000 0.442 568 C N 2.944 122.395 119.300 0.253 0.000 2.344 568 C HA 0.723 5.184 4.460 0.001 0.000 0.326 568 C C 0.375 175.421 174.990 0.093 0.000 1.201 568 C CA -0.367 58.791 59.018 0.233 0.000 1.410 568 C CB 0.934 28.750 27.740 0.127 0.000 2.070 568 C HN 0.935 nan 8.230 nan 0.000 0.445 569 S N 1.473 117.117 115.700 -0.094 0.000 2.755 569 S HA 0.725 5.195 4.470 0.001 0.000 0.286 569 S C -0.342 173.957 174.600 -0.501 0.000 1.207 569 S CA 0.006 58.019 58.200 -0.311 0.000 0.892 569 S CB 1.035 63.951 63.200 -0.472 0.000 1.240 569 S HN 0.976 nan 8.310 nan 0.000 0.525 570 S N 0.818 116.259 115.700 -0.432 0.000 2.713 570 S HA 0.757 5.228 4.470 0.001 0.000 0.277 570 S C 1.357 175.718 174.600 -0.398 0.000 1.168 570 S CA 0.002 58.024 58.200 -0.297 0.000 0.994 570 S CB 0.773 63.880 63.200 -0.155 0.000 1.054 570 S HN 1.281 nan 8.310 nan 0.000 0.555 571 A N 0.994 123.749 122.820 -0.108 0.000 1.873 571 A HA -0.058 4.262 4.320 0.001 0.000 0.215 571 A C 2.149 179.726 177.584 -0.012 0.000 1.186 571 A CA 1.705 53.767 52.037 0.041 0.000 0.616 571 A CB -1.050 17.997 19.000 0.078 0.000 0.823 571 A HN 0.956 nan 8.150 nan 0.000 0.442 572 K N 0.009 120.380 120.400 -0.049 0.000 2.009 572 K HA -0.138 4.182 4.320 0.001 0.000 0.210 572 K C 1.774 178.328 176.600 -0.076 0.000 1.049 572 K CA 2.050 58.310 56.287 -0.045 0.000 0.929 572 K CB -0.469 32.006 32.500 -0.042 0.000 0.714 572 K HN 0.194 nan 8.250 nan 0.000 0.440 573 V N 0.939 120.772 119.914 -0.134 0.000 2.392 573 V HA -0.244 3.877 4.120 0.001 0.000 0.249 573 V C 2.249 178.231 176.094 -0.188 0.000 1.059 573 V CA 1.710 63.916 62.300 -0.157 0.000 1.051 573 V CB -0.794 30.926 31.823 -0.171 0.000 0.658 573 V HN 0.301 nan 8.190 nan 0.000 0.455 574 Y N 0.829 120.991 120.300 -0.230 0.000 2.165 574 Y HA -0.183 4.368 4.550 0.001 0.000 0.286 574 Y C 2.568 178.134 175.900 -0.557 0.000 1.155 574 Y CA 0.907 58.675 58.100 -0.554 0.000 1.164 574 Y CB -1.308 36.762 38.460 -0.649 0.000 0.978 574 Y HN 0.208 nan 8.280 nan 0.000 0.513 575 A N -0.165 122.598 122.820 -0.094 0.000 1.978 575 A HA -0.248 4.073 4.320 0.001 0.000 0.220 575 A C 2.072 179.639 177.584 -0.028 0.000 1.170 575 A CA 1.881 53.902 52.037 -0.025 0.000 0.636 575 A CB -0.545 18.468 19.000 0.023 0.000 0.810 575 A HN 0.599 nan 8.150 nan 0.000 0.448 576 Q N -0.828 118.946 119.800 -0.043 0.000 2.013 576 Q HA -0.109 4.232 4.340 0.001 0.000 0.195 576 Q C 1.915 177.902 176.000 -0.022 0.000 0.974 576 Q CA 1.400 57.189 55.803 -0.024 0.000 0.826 576 Q CB -0.174 28.549 28.738 -0.023 0.000 0.895 576 Q HN 0.941 nan 8.270 nan 0.000 0.448 577 Q N -0.378 119.399 119.800 -0.039 0.000 2.217 577 Q HA 0.286 4.626 4.340 0.001 0.000 0.217 577 Q C 1.616 177.608 176.000 -0.014 0.000 0.844 577 Q CA 0.325 56.120 55.803 -0.013 0.000 0.957 577 Q CB 0.416 29.154 28.738 0.000 0.000 1.127 577 Q HN 0.253 nan 8.270 nan 0.000 0.503 578 G N 2.343 111.077 108.800 -0.110 0.000 2.514 578 G HA2 -0.303 3.657 3.960 0.001 0.000 0.217 578 G HA3 -0.303 3.657 3.960 0.001 0.000 0.217 578 G C 1.334 176.314 174.900 0.133 0.000 1.198 578 G CA 1.198 46.200 45.100 -0.164 0.000 0.780 578 G HN 0.333 nan 8.290 nan 0.000 0.565 579 L N 0.653 122.003 121.223 0.211 0.000 2.017 579 L HA 0.035 4.376 4.340 0.001 0.000 0.208 579 L C 2.560 179.510 176.870 0.133 0.000 1.073 579 L CA 2.727 57.720 54.840 0.256 0.000 0.745 579 L CB -0.827 41.369 42.059 0.228 0.000 0.894 579 L HN 0.464 nan 8.230 nan 0.000 0.432 580 E N -0.702 119.550 120.200 0.088 0.000 2.049 580 E HA -0.224 4.126 4.350 0.001 0.000 0.198 580 E C 2.030 178.663 176.600 0.055 0.000 1.007 580 E CA 2.222 58.657 56.400 0.058 0.000 0.809 580 E CB -0.110 29.616 29.700 0.043 0.000 0.749 580 E HN 0.434 nan 8.360 nan 0.000 0.450 581 V N 1.266 121.218 119.914 0.064 0.000 2.295 581 V HA -0.288 3.833 4.120 0.001 0.000 0.246 581 V C 2.490 178.617 176.094 0.055 0.000 1.049 581 V CA 1.865 64.201 62.300 0.060 0.000 1.024 581 V CB -0.993 30.875 31.823 0.074 0.000 0.648 581 V HN 0.452 nan 8.190 nan 0.000 0.447 582 A N -0.169 122.711 122.820 0.099 0.000 1.865 582 A HA -0.305 4.015 4.320 0.001 0.000 0.217 582 A C 2.297 179.894 177.584 0.022 0.000 1.191 582 A CA 2.394 54.475 52.037 0.074 0.000 0.623 582 A CB -0.567 18.514 19.000 0.136 0.000 0.826 582 A HN 0.539 nan 8.150 nan 0.000 0.444 583 K N -0.557 119.864 120.400 0.035 0.000 2.020 583 K HA -0.158 4.162 4.320 0.001 0.000 0.212 583 K C 2.312 178.910 176.600 -0.002 0.000 1.050 583 K CA 1.446 57.740 56.287 0.013 0.000 0.929 583 K CB -0.385 32.129 32.500 0.023 0.000 0.714 583 K HN 0.466 nan 8.250 nan 0.000 0.443 584 A N 1.006 123.828 122.820 0.003 0.000 1.933 584 A HA -0.148 4.173 4.320 0.001 0.000 0.218 584 A C 2.104 179.663 177.584 -0.041 0.000 1.175 584 A CA 1.348 53.382 52.037 -0.005 0.000 0.628 584 A CB -0.611 18.395 19.000 0.009 0.000 0.814 584 A HN 0.190 nan 8.150 nan 0.000 0.444 585 L N -1.250 119.915 121.223 -0.096 0.000 2.056 585 L HA -0.154 4.187 4.340 0.001 0.000 0.207 585 L C 2.577 179.319 176.870 -0.213 0.000 1.078 585 L CA 1.292 55.978 54.840 -0.256 0.000 0.749 585 L CB -0.368 41.474 42.059 -0.362 0.000 0.901 585 L HN 0.152 nan 8.230 nan 0.000 0.433 586 K N 0.501 120.833 120.400 -0.115 0.000 2.026 586 K HA -0.091 4.230 4.320 0.001 0.000 0.208 586 K C 2.156 178.740 176.600 -0.027 0.000 1.048 586 K CA 1.508 57.757 56.287 -0.063 0.000 0.929 586 K CB -0.792 31.681 32.500 -0.044 0.000 0.713 586 K HN 0.241 nan 8.250 nan 0.000 0.439 587 A N 0.757 123.567 122.820 -0.018 0.000 1.903 587 A HA -0.202 4.119 4.320 0.001 0.000 0.219 587 A C 2.171 179.769 177.584 0.023 0.000 1.191 587 A CA 2.486 54.525 52.037 0.003 0.000 0.638 587 A CB -0.933 18.070 19.000 0.005 0.000 0.823 587 A HN 0.319 nan 8.150 nan 0.000 0.451 588 A N -2.292 120.553 122.820 0.041 0.000 2.252 588 A HA 0.409 4.729 4.320 0.001 0.000 0.207 588 A C 1.712 179.391 177.584 0.158 0.000 1.194 588 A CA 1.291 53.389 52.037 0.103 0.000 0.809 588 A CB -0.933 18.169 19.000 0.170 0.000 0.814 588 A HN 1.961 nan 8.150 nan 0.000 0.482 589 G N -2.168 106.707 108.800 0.125 0.000 2.284 589 G HA2 0.155 4.115 3.960 0.001 0.000 0.201 589 G HA3 0.155 4.115 3.960 0.001 0.000 0.201 589 G C 0.503 175.507 174.900 0.175 0.000 0.998 589 G CA -0.077 45.106 45.100 0.137 0.000 0.651 589 G HN 1.596 nan 8.290 nan 0.000 0.489 590 A N 0.780 123.702 122.820 0.171 0.000 2.563 590 A HA 0.441 4.762 4.320 0.001 0.000 0.256 590 A C 1.301 178.922 177.584 0.062 0.000 1.056 590 A CA 1.758 53.864 52.037 0.114 0.000 0.775 590 A CB 0.106 18.991 19.000 -0.192 0.000 0.973 590 A HN 0.564 nan 8.150 nan 0.000 0.516 591 K N 1.494 121.948 120.400 0.090 0.000 2.211 591 K HA 0.165 4.486 4.320 0.001 0.000 0.203 591 K C 0.489 177.103 176.600 0.024 0.000 1.050 591 K CA 1.403 57.723 56.287 0.054 0.000 0.945 591 K CB -0.036 32.506 32.500 0.070 0.000 0.732 591 K HN 0.960 nan 8.250 nan 0.000 0.451 592 A N 0.204 123.035 122.820 0.019 0.000 2.566 592 A HA 0.556 4.876 4.320 0.001 0.000 0.297 592 A C -1.832 175.714 177.584 -0.063 0.000 1.059 592 A CA -0.777 51.227 52.037 -0.055 0.000 0.691 592 A CB 1.145 20.128 19.000 -0.027 0.000 1.282 592 A HN 0.105 nan 8.150 nan 0.000 0.401 593 L N 1.654 122.787 121.223 -0.151 0.000 2.365 593 L HA 0.661 5.002 4.340 0.001 0.000 0.273 593 L C -1.375 175.389 176.870 -0.178 0.000 1.000 593 L CA -0.469 54.327 54.840 -0.074 0.000 0.819 593 L CB 1.889 43.922 42.059 -0.044 0.000 1.284 593 L HN 0.777 nan 8.230 nan 0.000 0.418 594 Y N 2.890 123.267 120.300 0.128 0.000 2.487 594 Y HA 0.582 5.132 4.550 0.001 0.000 0.337 594 Y C -0.474 175.519 175.900 0.154 0.000 1.076 594 Y CA -0.739 57.470 58.100 0.182 0.000 1.115 594 Y CB 2.003 40.654 38.460 0.317 0.000 1.235 594 Y HN 0.290 nan 8.280 nan 0.000 0.468 595 L N 1.747 123.118 121.223 0.246 0.000 2.305 595 L HA 0.525 4.865 4.340 0.001 0.000 0.284 595 L C -0.525 176.441 176.870 0.159 0.000 1.013 595 L CA -0.256 54.654 54.840 0.118 0.000 0.819 595 L CB 1.365 43.352 42.059 -0.121 0.000 1.227 595 L HN 0.529 nan 8.230 nan 0.000 0.417 596 S N 4.309 120.149 115.700 0.232 0.000 2.681 596 S HA 0.792 5.263 4.470 0.001 0.000 0.313 596 S C 0.271 175.006 174.600 0.224 0.000 1.137 596 S CA 0.154 58.502 58.200 0.246 0.000 1.045 596 S CB -0.239 63.141 63.200 0.300 0.000 1.208 596 S HN 1.156 nan 8.310 nan 0.000 0.523 597 G N 1.460 110.321 108.800 0.102 0.000 2.362 597 G HA2 0.464 4.425 3.960 0.001 0.000 0.288 597 G HA3 0.464 4.425 3.960 0.001 0.000 0.288 597 G C -1.483 173.344 174.900 -0.122 0.000 1.305 597 G CA -0.370 44.773 45.100 0.071 0.000 0.910 597 G HN 0.794 nan 8.290 nan 0.000 0.518 598 A N -1.016 121.732 122.820 -0.120 0.000 2.325 598 A HA 0.795 5.115 4.320 0.001 0.000 0.333 598 A C 0.662 178.099 177.584 -0.244 0.000 1.155 598 A CA -0.423 51.460 52.037 -0.256 0.000 0.814 598 A CB 0.640 19.565 19.000 -0.125 0.000 1.206 598 A HN 0.963 nan 8.150 nan 0.000 0.482 599 F N 1.362 121.230 119.950 -0.136 0.000 2.216 599 F HA -0.081 4.446 4.527 0.001 0.000 0.300 599 F C 2.824 178.579 175.800 -0.075 0.000 1.085 599 F CA 1.925 59.794 58.000 -0.218 0.000 1.326 599 F CB -0.808 38.042 39.000 -0.249 0.000 1.027 599 F HN 0.681 nan 8.300 nan 0.000 0.497 600 K N 0.800 121.276 120.400 0.127 0.000 2.281 600 K HA -0.203 4.118 4.320 0.001 0.000 0.203 600 K C 1.667 178.364 176.600 0.161 0.000 1.046 600 K CA 1.791 58.147 56.287 0.114 0.000 0.938 600 K CB -1.278 31.259 32.500 0.062 0.000 0.737 600 K HN 0.519 nan 8.250 nan 0.000 0.458 601 E N -0.903 119.428 120.200 0.218 0.000 2.265 601 E HA -0.088 4.262 4.350 0.001 0.000 0.196 601 E C 0.863 177.676 176.600 0.355 0.000 0.996 601 E CA 0.902 57.471 56.400 0.282 0.000 0.832 601 E CB -0.207 29.712 29.700 0.365 0.000 0.756 601 E HN 0.697 nan 8.360 nan 0.000 0.491 602 F N 0.405 120.414 119.950 0.099 0.000 2.731 602 F HA 0.207 4.734 4.527 0.001 0.000 0.304 602 F C 1.801 177.643 175.800 0.069 0.000 1.133 602 F CA 0.343 58.401 58.000 0.096 0.000 1.380 602 F CB -0.493 38.550 39.000 0.072 0.000 1.079 602 F HN -0.005 nan 8.300 nan 0.000 0.550 603 G N 0.958 109.888 108.800 0.217 0.000 2.690 603 G HA2 -0.406 3.555 3.960 0.001 0.000 0.334 603 G HA3 -0.406 3.555 3.960 0.001 0.000 0.334 603 G C 1.095 176.061 174.900 0.109 0.000 1.250 603 G CA 0.878 46.056 45.100 0.129 0.000 0.994 603 G HN 0.316 nan 8.290 nan 0.000 0.549 604 D N 1.816 122.268 120.400 0.086 0.000 2.363 604 D HA 0.062 4.703 4.640 0.001 0.000 0.226 604 D C 0.961 177.303 176.300 0.071 0.000 1.020 604 D CA 0.934 54.972 54.000 0.063 0.000 0.892 604 D CB -0.041 40.786 40.800 0.044 0.000 0.900 604 D HN 0.442 nan 8.370 nan 0.000 0.531 605 D N 0.362 120.835 120.400 0.120 0.000 2.363 605 D HA 0.112 4.752 4.640 0.001 0.000 0.214 605 D C 1.851 178.205 176.300 0.090 0.000 1.093 605 D CA -0.044 54.035 54.000 0.131 0.000 0.837 605 D CB 0.444 41.376 40.800 0.220 0.000 0.948 605 D HN 0.037 nan 8.370 nan 0.000 0.507 606 A N 1.497 124.353 122.820 0.061 0.000 1.865 606 A HA -0.123 4.198 4.320 0.001 0.000 0.217 606 A C 2.351 179.819 177.584 -0.193 0.000 1.191 606 A CA 2.089 54.096 52.037 -0.051 0.000 0.623 606 A CB -0.625 18.385 19.000 0.017 0.000 0.826 606 A HN 0.258 nan 8.150 nan 0.000 0.444 607 A N -0.862 121.873 122.820 -0.142 0.000 1.865 607 A HA -0.010 4.310 4.320 0.001 0.000 0.217 607 A C 2.231 179.696 177.584 -0.199 0.000 1.191 607 A CA 2.942 54.871 52.037 -0.180 0.000 0.623 607 A CB -1.345 17.591 19.000 -0.105 0.000 0.826 607 A HN 0.827 nan 8.150 nan 0.000 0.444 608 E N -0.427 119.697 120.200 -0.126 0.000 2.058 608 E HA -0.062 4.289 4.350 0.001 0.000 0.194 608 E C 2.353 178.870 176.600 -0.138 0.000 0.997 608 E CA 2.410 58.749 56.400 -0.101 0.000 0.801 608 E CB -1.295 28.383 29.700 -0.035 0.000 0.746 608 E HN 1.114 nan 8.360 nan 0.000 0.450 609 A N 0.750 123.468 122.820 -0.171 0.000 1.908 609 A HA 0.034 4.355 4.320 0.001 0.000 0.218 609 A C 2.566 179.913 177.584 -0.396 0.000 1.181 609 A CA 3.060 54.936 52.037 -0.267 0.000 0.627 609 A CB -1.086 17.553 19.000 -0.601 0.000 0.818 609 A HN 0.806 nan 8.150 nan 0.000 0.445 610 E N -0.626 119.192 120.200 -0.636 0.000 2.097 610 E HA -0.270 4.081 4.350 0.001 0.000 0.196 610 E C 2.224 178.513 176.600 -0.518 0.000 1.000 610 E CA 3.055 58.865 56.400 -0.983 0.000 0.804 610 E CB -1.434 27.654 29.700 -1.020 0.000 0.740 610 E HN 0.924 nan 8.360 nan 0.000 0.454 611 K N 0.307 120.515 120.400 -0.319 0.000 2.147 611 K HA 0.146 4.467 4.320 0.001 0.000 0.205 611 K C 2.334 178.847 176.600 -0.145 0.000 1.049 611 K CA 1.477 57.647 56.287 -0.195 0.000 0.936 611 K CB -0.667 31.746 32.500 -0.145 0.000 0.722 611 K HN 0.504 nan 8.250 nan 0.000 0.446 612 L N -0.585 120.558 121.223 -0.134 0.000 2.249 612 L HA 0.251 4.592 4.340 0.001 0.000 0.207 612 L C 0.861 177.683 176.870 -0.080 0.000 1.090 612 L CA -0.029 54.759 54.840 -0.087 0.000 0.802 612 L CB -0.066 41.960 42.059 -0.055 0.000 0.947 612 L HN 0.175 nan 8.230 nan 0.000 0.453 613 I N 0.804 121.329 120.570 -0.074 0.000 2.352 613 I HA -0.004 4.166 4.170 0.001 0.000 0.290 613 I C 0.290 176.395 176.117 -0.020 0.000 1.036 613 I CA 0.042 61.336 61.300 -0.011 0.000 1.336 613 I CB 1.081 39.185 38.000 0.173 0.000 1.407 613 I HN 0.022 nan 8.210 nan 0.000 0.497 614 D N 4.102 124.430 120.400 -0.120 0.000 2.355 614 D HA 0.220 4.860 4.640 0.001 0.000 0.218 614 D C 0.690 176.913 176.300 -0.129 0.000 1.004 614 D CA 0.455 54.356 54.000 -0.165 0.000 0.880 614 D CB 0.476 41.092 40.800 -0.308 0.000 0.911 614 D HN 0.728 nan 8.370 nan 0.000 0.528 615 G N -0.619 108.149 108.800 -0.053 0.000 2.377 615 G HA2 0.444 4.404 3.960 0.001 0.000 0.297 615 G HA3 0.444 4.404 3.960 0.001 0.000 0.297 615 G C -1.525 173.544 174.900 0.283 0.000 1.547 615 G CA -1.162 44.037 45.100 0.166 0.000 0.833 615 G HN -0.055 nan 8.290 nan 0.000 0.583 616 R N -0.407 120.267 120.500 0.290 0.000 2.778 616 R HA 0.735 5.075 4.340 0.001 0.000 0.277 616 R C -0.477 176.020 176.300 0.328 0.000 0.977 616 R CA -0.873 55.379 56.100 0.254 0.000 0.950 616 R CB 2.255 32.586 30.300 0.052 0.000 1.165 616 R HN 0.350 nan 8.270 nan 0.000 0.474 617 L N 3.901 125.273 121.223 0.248 0.000 2.287 617 L HA 0.632 4.973 4.340 0.001 0.000 0.287 617 L C -0.941 176.045 176.870 0.193 0.000 1.022 617 L CA -0.602 54.303 54.840 0.109 0.000 0.814 617 L CB 0.495 42.609 42.059 0.091 0.000 1.217 617 L HN 0.629 nan 8.230 nan 0.000 0.420 618 F N 0.886 120.880 119.950 0.074 0.000 2.693 618 F HA 0.497 5.025 4.527 0.001 0.000 0.309 618 F C -0.516 175.223 175.800 -0.103 0.000 1.129 618 F CA -1.296 56.612 58.000 -0.153 0.000 0.948 618 F CB 1.524 40.448 39.000 -0.127 0.000 1.315 618 F HN 0.289 nan 8.300 nan 0.000 0.447 619 M N 2.617 122.119 119.600 -0.163 0.000 2.303 619 M HA 0.403 4.884 4.480 0.001 0.000 0.350 619 M C 1.084 177.435 176.300 0.085 0.000 1.518 619 M CA 2.169 57.441 55.300 -0.046 0.000 1.070 619 M CB -0.008 32.539 32.600 -0.088 0.000 1.910 619 M HN 1.360 nan 8.290 nan 0.000 0.458 620 G N 3.718 112.528 108.800 0.017 0.000 2.176 620 G HA2 -0.242 3.718 3.960 0.001 0.000 0.232 620 G HA3 -0.242 3.718 3.960 0.001 0.000 0.232 620 G C 0.164 175.026 174.900 -0.064 0.000 0.986 620 G CA 0.205 45.327 45.100 0.037 0.000 0.643 620 G HN 0.817 nan 8.290 nan 0.000 0.522 621 M N 0.389 119.706 119.600 -0.471 0.000 2.245 621 M HA 0.484 4.964 4.480 0.001 0.000 0.312 621 M C -0.131 176.007 176.300 -0.269 0.000 1.070 621 M CA 0.372 55.239 55.300 -0.723 0.000 1.162 621 M CB 0.426 32.303 32.600 -1.205 0.000 1.448 621 M HN 0.051 nan 8.290 nan 0.000 0.446 622 D N 2.317 122.622 120.400 -0.159 0.000 2.339 622 D HA 0.206 4.846 4.640 0.001 0.000 0.241 622 D C 0.945 177.176 176.300 -0.115 0.000 1.183 622 D CA -0.434 53.520 54.000 -0.078 0.000 0.859 622 D CB 1.419 42.210 40.800 -0.015 0.000 1.067 622 D HN 0.627 nan 8.370 nan 0.000 0.484 623 V N 2.596 122.445 119.914 -0.109 0.000 2.788 623 V HA -0.094 4.027 4.120 0.001 0.000 0.251 623 V C 1.937 177.998 176.094 -0.055 0.000 1.068 623 V CA 0.690 62.906 62.300 -0.141 0.000 1.090 623 V CB -0.446 31.267 31.823 -0.183 0.000 0.710 623 V HN 0.383 nan 8.190 nan 0.000 0.467 624 V N 1.920 121.836 119.914 0.003 0.000 2.261 624 V HA -0.262 3.859 4.120 0.001 0.000 0.246 624 V C 2.560 178.644 176.094 -0.016 0.000 1.047 624 V CA 2.744 65.037 62.300 -0.012 0.000 1.015 624 V CB -0.928 30.845 31.823 -0.083 0.000 0.642 624 V HN 0.751 nan 8.190 nan 0.000 0.446 625 D N 0.116 120.509 120.400 -0.012 0.000 2.084 625 D HA -0.188 4.453 4.640 0.001 0.000 0.194 625 D C 2.108 178.429 176.300 0.035 0.000 0.990 625 D CA 2.231 56.239 54.000 0.013 0.000 0.826 625 D CB -0.274 40.538 40.800 0.020 0.000 0.971 625 D HN 0.393 nan 8.370 nan 0.000 0.453 626 T N 0.294 114.856 114.554 0.014 0.000 2.684 626 T HA -0.141 4.210 4.350 0.001 0.000 0.267 626 T C 2.079 176.798 174.700 0.032 0.000 1.036 626 T CA 1.351 63.470 62.100 0.032 0.000 1.148 626 T CB -0.455 68.360 68.868 -0.088 0.000 0.863 626 T HN 0.150 nan 8.240 nan 0.000 0.436 627 L N 1.373 122.582 121.223 -0.023 0.000 2.017 627 L HA -0.127 4.214 4.340 0.001 0.000 0.208 627 L C 2.989 179.910 176.870 0.085 0.000 1.073 627 L CA 1.599 56.459 54.840 0.033 0.000 0.745 627 L CB -0.761 41.301 42.059 0.004 0.000 0.894 627 L HN 0.384 nan 8.230 nan 0.000 0.432 628 S N -1.369 114.367 115.700 0.059 0.000 2.383 628 S HA -0.206 4.265 4.470 0.001 0.000 0.227 628 S C 2.169 176.820 174.600 0.086 0.000 1.026 628 S CA 1.185 59.423 58.200 0.063 0.000 0.981 628 S CB -0.596 62.624 63.200 0.034 0.000 0.818 628 S HN 0.448 nan 8.310 nan 0.000 0.472 629 S N 1.942 117.704 115.700 0.104 0.000 2.370 629 S HA -0.158 4.312 4.470 0.001 0.000 0.226 629 S C 1.906 176.617 174.600 0.185 0.000 1.033 629 S CA 1.935 60.215 58.200 0.134 0.000 1.011 629 S CB -1.420 61.866 63.200 0.143 0.000 0.852 629 S HN 0.658 nan 8.310 nan 0.000 0.457 630 T N 2.784 117.481 114.554 0.239 0.000 2.788 630 T HA 0.043 4.393 4.350 0.001 0.000 0.268 630 T C 1.742 176.544 174.700 0.170 0.000 1.044 630 T CA 1.492 63.749 62.100 0.263 0.000 1.139 630 T CB -0.428 68.611 68.868 0.286 0.000 0.867 630 T HN 0.344 nan 8.240 nan 0.000 0.454 631 L N 0.829 122.134 121.223 0.137 0.000 2.056 631 L HA -0.110 4.231 4.340 0.001 0.000 0.207 631 L C 2.517 179.437 176.870 0.084 0.000 1.078 631 L CA 1.145 56.044 54.840 0.099 0.000 0.749 631 L CB -0.600 41.510 42.059 0.085 0.000 0.901 631 L HN 0.151 nan 8.230 nan 0.000 0.433 632 D N 0.495 120.946 120.400 0.084 0.000 2.092 632 D HA -0.197 4.443 4.640 0.001 0.000 0.193 632 D C 2.230 178.573 176.300 0.073 0.000 0.994 632 D CA 1.409 55.451 54.000 0.071 0.000 0.828 632 D CB -0.269 40.572 40.800 0.068 0.000 0.963 632 D HN 0.280 nan 8.370 nan 0.000 0.450 633 I N 0.581 121.207 120.570 0.095 0.000 2.248 633 I HA -0.253 3.918 4.170 0.001 0.000 0.248 633 I C 1.957 178.121 176.117 0.079 0.000 1.107 633 I CA 0.885 62.241 61.300 0.093 0.000 1.373 633 I CB -0.215 37.863 38.000 0.130 0.000 1.055 633 I HN -0.014 nan 8.210 nan 0.000 0.418 634 L N 0.651 121.921 121.223 0.078 0.000 2.610 634 L HA 0.168 4.508 4.340 0.001 0.000 0.232 634 L C 1.325 178.222 176.870 0.044 0.000 1.149 634 L CA 0.338 55.213 54.840 0.057 0.000 0.872 634 L CB -0.836 41.254 42.059 0.052 0.000 0.992 634 L HN 0.471 nan 8.230 nan 0.000 0.447 635 G N 0.830 109.657 108.800 0.045 0.000 2.272 635 G HA2 -0.226 3.734 3.960 0.001 0.000 0.280 635 G HA3 -0.226 3.734 3.960 0.001 0.000 0.280 635 G C -0.057 174.863 174.900 0.033 0.000 1.067 635 G CA 0.053 45.174 45.100 0.036 0.000 0.902 635 G HN 0.132 nan 8.290 nan 0.000 0.500 636 V N 0.380 120.317 119.914 0.039 0.000 2.481 636 V HA 0.767 4.888 4.120 0.001 0.000 0.286 636 V C 1.172 177.287 176.094 0.035 0.000 1.042 636 V CA -0.446 61.876 62.300 0.037 0.000 0.928 636 V CB 1.404 33.253 31.823 0.043 0.000 0.986 636 V HN 1.242 nan 8.190 nan 0.000 0.462 637 A N 4.905 127.742 122.820 0.029 0.000 2.492 637 A HA 0.503 4.824 4.320 0.001 0.000 0.236 637 A C 0.398 177.999 177.584 0.027 0.000 1.078 637 A CA 0.656 52.709 52.037 0.026 0.000 0.773 637 A CB 0.155 19.169 19.000 0.023 0.000 1.023 637 A HN 0.991 nan 8.150 nan 0.000 0.504 638 K N 0.000 120.414 120.400 0.024 0.000 2.780 638 K HA 0.000 4.321 4.320 0.001 0.000 0.191 638 K CA 0.000 56.300 56.287 0.021 0.000 0.838 638 K CB 0.000 32.512 32.500 0.020 0.000 1.064 638 K HN 0.000 nan 8.250 nan 0.000 0.543