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 2oef_1_A DATA FIRST_RESID 7 DATA SEQUENCE SLSAAAQACV KKXRDAKVNE ACIRTFIAQH VXVSKGETGS IPDSAIXPVD DATA SEQUENCE SLDALDSLTI ECDNAVLQST VVLKLNGGLG TGXGLCDAKT LLEVKDGKTF DATA SEQUENCE LDFTALQVQY LRQHCSEHLR FXLXDSFNTS ASTKSFLKAR YPWLYQVFDS DATA SEQUENCE EVELXQNQVP KILQDTLEPA AWAENPAYEW APPGHGDIYT ALYGSGKLQE DATA SEQUENCE LVEQGYRYXF VSNGDNLGAT IDKRVLAYXE KEKIDFLXEV CRRTESDKKG DATA SEQUENCE GHLARQTVYV KGKDGQPDAE KRVLLLRESA QCPKADXESF QDINKYSFFN DATA SEQUENCE TNNLWIRLPV LLETXQEHGG TLPLPVIRNE KTVDSSNSAS PKVYQLETAX DATA SEQUENCE GAAIAXFESA SAIVVPRSRF APVKTCADLL ALRSDAYVVT DDFRLVLDDR DATA SEQUENCE CHGHPPVVDL DSAHYKXXNG FEKLVQHGVP SLVECKRVTV KGLVQFGAGN DATA SEQUENCE VLTGTVTIEN TDSASAFVIP DGAKLNDTTA SP 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 7 S HA 0.000 nan 4.470 nan 0.000 0.327 7 S C 0.000 174.604 174.600 0.006 0.000 1.055 7 S CA 0.000 58.204 58.200 0.006 0.000 1.107 7 S CB 0.000 63.204 63.200 0.007 0.000 0.593 8 L N 2.453 123.677 121.223 0.003 0.000 2.387 8 L HA 0.611 4.985 4.340 0.055 0.000 0.266 8 L C 1.551 178.423 176.870 0.003 0.000 1.059 8 L CA -0.200 54.639 54.840 -0.001 0.000 0.801 8 L CB 1.327 43.376 42.059 -0.018 0.000 1.223 8 L HN 0.353 nan 8.230 nan 0.000 0.456 9 S N 0.492 116.199 115.700 0.011 0.000 2.803 9 S HA 0.089 4.592 4.470 0.055 0.000 0.226 9 S C 1.181 175.793 174.600 0.020 0.000 0.962 9 S CA 0.300 58.516 58.200 0.027 0.000 0.968 9 S CB -0.280 62.960 63.200 0.066 0.000 0.786 9 S HN 0.992 nan 8.310 nan 0.000 0.527 10 A N 0.562 123.382 122.820 0.000 0.000 2.070 10 A HA -0.300 4.053 4.320 0.055 0.000 0.231 10 A C 2.038 179.619 177.584 -0.006 0.000 0.501 10 A CA 1.792 53.829 52.037 -0.000 0.000 1.119 10 A CB -2.487 16.520 19.000 0.011 0.000 1.430 10 A HN 1.695 nan 8.150 nan 0.000 0.706 11 A N -0.952 121.879 122.820 0.019 0.000 1.930 11 A HA 0.355 4.708 4.320 0.055 0.000 0.217 11 A C 2.514 180.046 177.584 -0.087 0.000 1.175 11 A CA 2.391 54.454 52.037 0.043 0.000 0.627 11 A CB -0.960 18.131 19.000 0.152 0.000 0.815 11 A HN 2.206 nan 8.150 nan 0.000 0.443 12 A N -1.034 121.663 122.820 -0.205 0.000 2.016 12 A HA -0.061 4.293 4.320 0.055 0.000 0.217 12 A C 2.045 179.519 177.584 -0.183 0.000 1.162 12 A CA 1.252 53.014 52.037 -0.458 0.000 0.662 12 A CB -0.346 18.451 19.000 -0.337 0.000 0.812 12 A HN 0.627 nan 8.150 nan 0.000 0.450 13 Q N -0.618 119.128 119.800 -0.089 0.000 2.123 13 Q HA -0.026 4.347 4.340 0.055 0.000 0.199 13 Q C 2.385 178.365 176.000 -0.032 0.000 0.966 13 Q CA 1.121 56.899 55.803 -0.042 0.000 0.845 13 Q CB -0.297 28.429 28.738 -0.020 0.000 0.907 13 Q HN 0.675 nan 8.270 nan 0.000 0.439 14 A N 0.178 122.977 122.820 -0.034 0.000 1.933 14 A HA -0.186 4.167 4.320 0.055 0.000 0.218 14 A C 2.281 179.845 177.584 -0.034 0.000 1.175 14 A CA 1.182 53.206 52.037 -0.023 0.000 0.628 14 A CB -0.880 18.112 19.000 -0.013 0.000 0.814 14 A HN 0.470 nan 8.150 nan 0.000 0.444 15 C N -1.263 118.009 119.300 -0.046 0.000 2.436 15 C HA -0.074 4.419 4.460 0.055 0.000 0.277 15 C C 2.740 177.712 174.990 -0.030 0.000 1.241 15 C CA 1.079 60.071 59.018 -0.044 0.000 1.721 15 C CB -1.283 26.490 27.740 0.055 0.000 2.043 15 C HN 0.465 nan 8.230 nan 0.000 0.472 16 V N 1.427 121.338 119.914 -0.005 0.000 2.255 16 V HA -0.293 3.860 4.120 0.055 0.000 0.247 16 V C 2.491 178.597 176.094 0.021 0.000 1.051 16 V CA 2.410 64.722 62.300 0.019 0.000 1.018 16 V CB -0.794 31.039 31.823 0.016 0.000 0.641 16 V HN 0.602 nan 8.190 nan 0.000 0.445 17 K N 0.705 121.112 120.400 0.011 0.000 2.009 17 K HA -0.216 4.138 4.320 0.055 0.000 0.210 17 K C 1.471 178.092 176.600 0.036 0.000 1.049 17 K CA 1.514 57.812 56.287 0.019 0.000 0.929 17 K CB -0.161 32.346 32.500 0.011 0.000 0.714 17 K HN 0.414 nan 8.250 nan 0.000 0.440 21 D N 1.196 121.630 120.400 0.057 0.000 2.117 21 D HA -0.034 4.639 4.640 0.055 0.000 0.197 21 D C 1.367 177.687 176.300 0.033 0.000 0.987 21 D CA 1.675 55.703 54.000 0.047 0.000 0.829 21 D CB -0.022 40.814 40.800 0.060 0.000 0.961 21 D HN 0.361 nan 8.370 nan 0.000 0.460 22 A N 0.035 122.884 122.820 0.049 0.000 2.259 22 A HA 0.026 4.379 4.320 0.055 0.000 0.208 22 A C 0.445 177.979 177.584 -0.083 0.000 1.201 22 A CA 0.109 52.121 52.037 -0.043 0.000 0.824 22 A CB -0.412 18.514 19.000 -0.124 0.000 0.838 22 A HN 0.212 nan 8.150 nan 0.000 0.485 23 K N -1.124 119.258 120.400 -0.029 0.000 3.125 23 K HA -0.111 4.242 4.320 0.055 0.000 0.268 23 K C -0.565 176.012 176.600 -0.038 0.000 1.078 23 K CA 0.485 56.755 56.287 -0.030 0.000 0.775 23 K CB -2.289 30.188 32.500 -0.040 0.000 1.253 23 K HN 0.237 nan 8.250 nan 0.000 0.486 24 V N 2.381 122.283 119.914 -0.020 0.000 2.508 24 V HA 0.000 4.154 4.120 0.055 0.000 0.281 24 V C 0.857 176.962 176.094 0.018 0.000 1.041 24 V CA -0.186 62.108 62.300 -0.010 0.000 1.016 24 V CB 0.657 32.501 31.823 0.035 0.000 0.984 24 V HN 0.523 nan 8.190 nan 0.000 0.478 25 N N 4.645 123.356 118.700 0.019 0.000 2.345 25 N HA -0.057 4.716 4.740 0.055 0.000 0.243 25 N C 0.796 176.343 175.510 0.062 0.000 1.246 25 N CA -0.006 53.066 53.050 0.037 0.000 0.863 25 N CB 0.548 39.059 38.487 0.039 0.000 1.096 25 N HN 0.547 nan 8.380 nan 0.000 0.446 26 E N 1.308 121.548 120.200 0.068 0.000 2.110 26 E HA -0.202 4.181 4.350 0.055 0.000 0.193 26 E C 1.857 178.523 176.600 0.110 0.000 0.988 26 E CA 1.513 57.962 56.400 0.083 0.000 0.804 26 E CB -0.741 29.005 29.700 0.076 0.000 0.745 26 E HN 0.790 nan 8.360 nan 0.000 0.458 27 A N 0.932 123.836 122.820 0.140 0.000 1.908 27 A HA -0.221 4.133 4.320 0.055 0.000 0.218 27 A C 2.581 180.248 177.584 0.139 0.000 1.181 27 A CA 1.608 53.751 52.037 0.176 0.000 0.627 27 A CB -1.109 18.063 19.000 0.286 0.000 0.818 27 A HN 0.442 nan 8.150 nan 0.000 0.445 28 C N -0.374 119.004 119.300 0.130 0.000 2.453 28 C HA -0.051 4.442 4.460 0.055 0.000 0.277 28 C C 2.548 177.634 174.990 0.160 0.000 1.262 28 C CA 1.036 60.134 59.018 0.133 0.000 1.718 28 C CB -1.416 26.386 27.740 0.103 0.000 2.031 28 C HN 0.592 nan 8.230 nan 0.000 0.480 29 I N 0.798 121.448 120.570 0.133 0.000 2.118 29 I HA -0.241 3.962 4.170 0.055 0.000 0.241 29 I C 2.949 179.172 176.117 0.176 0.000 1.070 29 I CA 1.943 63.333 61.300 0.151 0.000 1.327 29 I CB -0.650 37.412 38.000 0.103 0.000 1.034 29 I HN 0.393 nan 8.210 nan 0.000 0.405 30 R N 0.213 120.789 120.500 0.126 0.000 2.080 30 R HA -0.161 4.212 4.340 0.055 0.000 0.236 30 R C 2.355 178.712 176.300 0.095 0.000 1.137 30 R CA 2.228 58.386 56.100 0.096 0.000 0.943 30 R CB -0.948 29.394 30.300 0.070 0.000 0.846 30 R HN 0.385 nan 8.270 nan 0.000 0.431 31 T N 1.115 115.731 114.554 0.104 0.000 2.684 31 T HA -0.194 4.190 4.350 0.055 0.000 0.267 31 T C 1.472 176.241 174.700 0.114 0.000 1.036 31 T CA 1.555 63.707 62.100 0.086 0.000 1.148 31 T CB -0.393 68.535 68.868 0.100 0.000 0.863 31 T HN 0.214 nan 8.240 nan 0.000 0.436 32 F N 1.560 121.539 119.950 0.047 0.000 2.171 32 F HA -0.050 4.508 4.527 0.052 0.000 0.300 32 F C 1.890 177.732 175.800 0.069 0.000 1.090 32 F CA 0.841 58.877 58.000 0.059 0.000 1.293 32 F CB -0.242 38.801 39.000 0.071 0.000 1.013 32 F HN 0.013 nan 8.300 nan 0.000 0.486 33 I N 0.713 121.366 120.570 0.139 0.000 2.315 33 I HA -0.219 3.984 4.170 0.055 0.000 0.248 33 I C 2.755 178.856 176.117 -0.026 0.000 1.117 33 I CA 1.356 62.681 61.300 0.043 0.000 1.404 33 I CB -2.148 35.900 38.000 0.079 0.000 1.071 33 I HN 0.232 nan 8.210 nan 0.000 0.419 34 A N 0.458 123.263 122.820 -0.025 0.000 1.902 34 A HA -0.238 4.116 4.320 0.055 0.000 0.217 34 A C 2.258 179.789 177.584 -0.089 0.000 1.181 34 A CA 1.460 53.471 52.037 -0.042 0.000 0.623 34 A CB -0.593 18.384 19.000 -0.038 0.000 0.818 34 A HN 0.523 nan 8.150 nan 0.000 0.443 35 Q N -1.459 118.252 119.800 -0.148 0.000 2.050 35 Q HA -0.209 4.165 4.340 0.055 0.000 0.202 35 Q C 2.198 178.044 176.000 -0.257 0.000 0.980 35 Q CA 1.400 57.074 55.803 -0.216 0.000 0.840 35 Q CB -0.437 28.132 28.738 -0.282 0.000 0.898 35 Q HN 0.846 nan 8.270 nan 0.000 0.424 36 H N 0.714 119.523 119.070 -0.435 0.000 2.353 36 H HA -0.076 4.513 4.556 0.055 0.000 0.298 36 H C 0.738 175.957 175.328 -0.182 0.000 1.103 36 H CA 0.926 56.767 56.048 -0.346 0.000 1.293 36 H CB -0.075 29.493 29.762 -0.323 0.000 1.372 36 H HN -0.018 nan 8.280 nan 0.000 0.501 40 S N 0.311 115.897 115.700 -0.190 0.000 2.419 40 S HA -0.121 4.383 4.470 0.055 0.000 0.233 40 S C 1.477 176.036 174.600 -0.069 0.000 1.016 40 S CA 1.551 59.685 58.200 -0.110 0.000 0.974 40 S CB -0.187 62.989 63.200 -0.039 0.000 0.786 40 S HN 0.577 nan 8.310 nan 0.000 0.492 41 K N 0.307 120.662 120.400 -0.075 0.000 2.417 41 K HA 0.208 4.561 4.320 0.055 0.000 0.196 41 K C 0.992 177.554 176.600 -0.064 0.000 1.023 41 K CA 0.368 56.621 56.287 -0.056 0.000 1.122 41 K CB 0.267 32.738 32.500 -0.050 0.000 0.850 41 K HN 0.363 nan 8.250 nan 0.000 0.521 42 G N 2.593 111.341 108.800 -0.086 0.000 2.160 42 G HA2 -0.289 3.704 3.960 0.055 0.000 0.244 42 G HA3 -0.289 3.704 3.960 0.055 0.000 0.244 42 G C -0.198 174.642 174.900 -0.101 0.000 1.022 42 G CA 0.160 45.207 45.100 -0.088 0.000 0.741 42 G HN 0.390 nan 8.290 nan 0.000 0.508 43 E N 0.334 120.462 120.200 -0.119 0.000 2.529 43 E HA 0.363 4.746 4.350 0.055 0.000 0.259 43 E C 1.526 178.050 176.600 -0.126 0.000 0.966 43 E CA 1.192 57.523 56.400 -0.114 0.000 0.937 43 E CB 0.321 29.945 29.700 -0.126 0.000 0.923 43 E HN 0.240 nan 8.360 nan 0.000 0.468 44 T N 2.978 117.473 114.554 -0.098 0.000 2.983 44 T HA 0.228 4.612 4.350 0.055 0.000 0.250 44 T C 1.323 175.967 174.700 -0.094 0.000 1.037 44 T CA 0.414 62.458 62.100 -0.093 0.000 1.142 44 T CB -0.141 68.687 68.868 -0.066 0.000 0.876 44 T HN 0.723 nan 8.240 nan 0.000 0.455 45 G N 1.442 110.192 108.800 -0.083 0.000 2.217 45 G HA2 -0.267 3.727 3.960 0.055 0.000 0.246 45 G HA3 -0.267 3.727 3.960 0.055 0.000 0.246 45 G C 0.463 175.327 174.900 -0.059 0.000 0.990 45 G CA 0.340 45.395 45.100 -0.076 0.000 0.627 45 G HN 0.727 nan 8.290 nan 0.000 0.522 46 S N 0.088 115.755 115.700 -0.055 0.000 2.558 46 S HA 0.404 4.908 4.470 0.055 0.000 0.293 46 S C 0.537 175.120 174.600 -0.028 0.000 1.292 46 S CA 0.483 58.657 58.200 -0.043 0.000 1.063 46 S CB -0.019 63.158 63.200 -0.037 0.000 0.831 46 S HN 0.668 nan 8.310 nan 0.000 0.499 47 I N 6.884 127.443 120.570 -0.018 0.000 2.714 47 I HA 0.268 4.471 4.170 0.055 0.000 0.276 47 I C -2.222 173.907 176.117 0.020 0.000 1.196 47 I CA -1.805 59.494 61.300 -0.002 0.000 1.068 47 I CB 1.700 39.695 38.000 -0.007 0.000 1.291 47 I HN 0.488 nan 8.210 nan 0.000 0.530 48 P HA 0.047 nan 4.420 nan 0.000 0.269 48 P C 0.146 177.488 177.300 0.069 0.000 1.209 48 P CA 0.100 63.225 63.100 0.042 0.000 0.776 48 P CB 1.453 33.171 31.700 0.030 0.000 0.876 49 D N 1.104 121.562 120.400 0.098 0.000 2.190 49 D HA -0.166 4.508 4.640 0.055 0.000 0.200 49 D C 1.860 178.229 176.300 0.115 0.000 0.992 49 D CA 1.962 56.045 54.000 0.140 0.000 0.854 49 D CB -0.243 40.657 40.800 0.166 0.000 0.936 49 D HN 0.398 nan 8.370 nan 0.000 0.462 50 S N -0.887 114.860 115.700 0.079 0.000 2.507 50 S HA -0.007 4.496 4.470 0.055 0.000 0.235 50 S C 1.773 176.407 174.600 0.057 0.000 0.988 50 S CA 0.719 58.956 58.200 0.062 0.000 0.944 50 S CB 0.103 63.329 63.200 0.043 0.000 0.762 50 S HN 0.268 nan 8.310 nan 0.000 0.526 51 A N 1.028 123.884 122.820 0.059 0.000 2.303 51 A HA 0.602 4.955 4.320 0.055 0.000 0.217 51 A C 0.884 178.506 177.584 0.064 0.000 1.205 51 A CA -0.209 51.858 52.037 0.050 0.000 0.875 51 A CB -0.287 18.734 19.000 0.035 0.000 0.910 51 A HN 0.764 nan 8.150 nan 0.000 0.501 55 V N 1.782 121.807 119.914 0.186 0.000 2.293 55 V HA 0.160 4.314 4.120 0.055 0.000 0.275 55 V C 0.780 177.000 176.094 0.210 0.000 1.021 55 V CA -0.196 62.222 62.300 0.197 0.000 0.815 55 V CB 1.066 33.041 31.823 0.253 0.000 1.025 55 V HN 0.538 nan 8.190 nan 0.000 0.448 56 D N 2.492 122.970 120.400 0.130 0.000 2.149 56 D HA -0.020 4.654 4.640 0.055 0.000 0.201 56 D C 0.978 177.385 176.300 0.180 0.000 0.972 56 D CA 1.261 55.326 54.000 0.108 0.000 0.835 56 D CB 0.419 41.248 40.800 0.048 0.000 0.966 56 D HN 0.673 nan 8.370 nan 0.000 0.476 57 S N -0.670 115.127 115.700 0.162 0.000 2.541 57 S HA 0.711 5.214 4.470 0.055 0.000 0.271 57 S C -0.785 173.848 174.600 0.055 0.000 1.133 57 S CA -0.971 57.312 58.200 0.138 0.000 0.876 57 S CB 2.207 65.457 63.200 0.082 0.000 1.105 57 S HN 0.022 nan 8.310 nan 0.000 0.470 58 L N 1.078 122.289 121.223 -0.021 0.000 2.409 58 L HA 0.598 4.971 4.340 0.055 0.000 0.255 58 L C -0.799 176.011 176.870 -0.099 0.000 1.027 58 L CA -1.096 53.677 54.840 -0.111 0.000 0.834 58 L CB 1.702 43.568 42.059 -0.322 0.000 1.426 58 L HN 0.611 nan 8.230 nan 0.000 0.411 59 D N 0.598 120.940 120.400 -0.097 0.000 2.371 59 D HA 0.513 5.186 4.640 0.055 0.000 0.242 59 D C -0.358 175.817 176.300 -0.209 0.000 1.218 59 D CA 0.052 53.973 54.000 -0.132 0.000 0.945 59 D CB 1.556 42.267 40.800 -0.149 0.000 1.137 59 D HN 0.571 nan 8.370 nan 0.000 0.464 60 A N 0.886 123.580 122.820 -0.209 0.000 2.365 60 A HA 0.295 4.648 4.320 0.055 0.000 0.318 60 A C 0.848 178.286 177.584 -0.243 0.000 1.091 60 A CA -0.670 51.249 52.037 -0.197 0.000 0.763 60 A CB 1.162 20.095 19.000 -0.113 0.000 1.248 60 A HN 0.642 nan 8.150 nan 0.000 0.442 61 L N 0.508 121.592 121.223 -0.231 0.000 2.191 61 L HA -0.115 4.258 4.340 0.055 0.000 0.212 61 L C 1.072 177.843 176.870 -0.165 0.000 1.103 61 L CA 1.589 56.290 54.840 -0.232 0.000 0.769 61 L CB -0.112 41.837 42.059 -0.184 0.000 0.908 61 L HN 0.810 nan 8.230 nan 0.000 0.438 62 D N -0.860 119.467 120.400 -0.122 0.000 2.269 62 D HA -0.103 4.570 4.640 0.055 0.000 0.208 62 D C 2.232 178.480 176.300 -0.087 0.000 0.963 62 D CA 0.864 54.811 54.000 -0.088 0.000 0.864 62 D CB 0.286 41.049 40.800 -0.061 0.000 0.936 62 D HN 0.210 nan 8.370 nan 0.000 0.505 63 S N -0.199 115.439 115.700 -0.104 0.000 2.470 63 S HA 0.092 4.595 4.470 0.055 0.000 0.225 63 S C 1.082 175.623 174.600 -0.098 0.000 1.006 63 S CA -0.051 58.096 58.200 -0.088 0.000 0.934 63 S CB 0.390 63.538 63.200 -0.086 0.000 0.778 63 S HN 0.196 nan 8.310 nan 0.000 0.517 64 L N 1.736 122.875 121.223 -0.139 0.000 2.436 64 L HA 0.242 4.616 4.340 0.055 0.000 0.265 64 L C 1.524 178.335 176.870 -0.097 0.000 1.168 64 L CA 0.144 54.903 54.840 -0.135 0.000 0.815 64 L CB 0.754 42.687 42.059 -0.211 0.000 1.109 64 L HN 0.250 nan 8.230 nan 0.000 0.462 65 T N -2.428 112.082 114.554 -0.074 0.000 3.074 65 T HA 0.277 4.660 4.350 0.055 0.000 0.258 65 T C 0.420 175.090 174.700 -0.051 0.000 0.891 65 T CA -0.277 61.789 62.100 -0.058 0.000 0.867 65 T CB 0.017 68.859 68.868 -0.042 0.000 1.261 65 T HN 0.221 nan 8.240 nan 0.000 0.537 66 I N 2.814 123.356 120.570 -0.046 0.000 2.471 66 I HA 0.299 4.502 4.170 0.055 0.000 0.286 66 I C 0.163 176.249 176.117 -0.053 0.000 1.079 66 I CA -0.253 61.023 61.300 -0.039 0.000 1.398 66 I CB 0.780 38.764 38.000 -0.026 0.000 1.403 66 I HN 0.260 nan 8.210 nan 0.000 0.530 67 E N 5.101 125.274 120.200 -0.045 0.000 2.242 67 E HA 0.302 4.685 4.350 0.055 0.000 0.275 67 E C -0.490 176.083 176.600 -0.045 0.000 1.002 67 E CA -0.840 55.529 56.400 -0.053 0.000 0.841 67 E CB 1.554 31.234 29.700 -0.034 0.000 1.109 67 E HN 0.725 nan 8.360 nan 0.000 0.394 68 C N 0.690 119.955 119.300 -0.057 0.000 2.595 68 C HA 0.330 4.824 4.460 0.055 0.000 0.384 68 C C 0.290 175.272 174.990 -0.014 0.000 1.289 68 C CA -0.966 58.027 59.018 -0.043 0.000 2.372 68 C CB -0.282 27.416 27.740 -0.069 0.000 2.593 68 C HN 0.760 nan 8.230 nan 0.000 0.639 69 D N 1.365 121.765 120.400 0.000 0.000 2.358 69 D HA 0.130 4.804 4.640 0.055 0.000 0.244 69 D C 0.824 177.140 176.300 0.028 0.000 1.163 69 D CA -0.568 53.440 54.000 0.014 0.000 0.945 69 D CB 0.308 41.117 40.800 0.015 0.000 1.152 69 D HN 0.541 nan 8.370 nan 0.000 0.451 70 N N 0.466 119.188 118.700 0.036 0.000 2.417 70 N HA -0.197 4.576 4.740 0.055 0.000 0.187 70 N C 1.555 177.100 175.510 0.059 0.000 1.027 70 N CA 1.100 54.181 53.050 0.051 0.000 0.891 70 N CB -0.319 38.198 38.487 0.050 0.000 0.956 70 N HN 0.642 nan 8.380 nan 0.000 0.442 71 A N 0.674 123.524 122.820 0.049 0.000 1.930 71 A HA -0.042 4.311 4.320 0.055 0.000 0.217 71 A C 2.470 180.094 177.584 0.067 0.000 1.175 71 A CA 0.909 52.976 52.037 0.051 0.000 0.627 71 A CB -0.520 18.502 19.000 0.036 0.000 0.815 71 A HN 0.111 nan 8.150 nan 0.000 0.443 72 V N 0.208 120.166 119.914 0.073 0.000 2.407 72 V HA -0.246 3.907 4.120 0.055 0.000 0.248 72 V C 2.471 178.651 176.094 0.143 0.000 1.055 72 V CA 1.800 64.167 62.300 0.112 0.000 1.049 72 V CB -0.770 31.094 31.823 0.068 0.000 0.662 72 V HN 0.567 nan 8.190 nan 0.000 0.455 73 L N -0.403 120.892 121.223 0.120 0.000 2.201 73 L HA -0.148 4.225 4.340 0.055 0.000 0.212 73 L C 2.687 179.666 176.870 0.182 0.000 1.105 73 L CA 1.043 55.977 54.840 0.156 0.000 0.775 73 L CB -0.523 41.616 42.059 0.133 0.000 0.913 73 L HN 0.359 nan 8.230 nan 0.000 0.440 74 Q N -0.249 119.634 119.800 0.139 0.000 2.291 74 Q HA -0.113 4.260 4.340 0.055 0.000 0.206 74 Q C 1.808 177.825 176.000 0.028 0.000 0.976 74 Q CA 1.506 57.389 55.803 0.134 0.000 0.875 74 Q CB -0.046 28.751 28.738 0.097 0.000 0.927 74 Q HN 0.572 nan 8.270 nan 0.000 0.450 75 S N -1.108 114.615 115.700 0.040 0.000 2.588 75 S HA 0.241 4.744 4.470 0.055 0.000 0.245 75 S C 0.230 175.012 174.600 0.302 0.000 1.021 75 S CA -0.601 57.559 58.200 -0.067 0.000 1.006 75 S CB 0.489 63.662 63.200 -0.046 0.000 0.830 75 S HN -0.095 nan 8.310 nan 0.000 0.468 76 T N 1.855 116.659 114.554 0.416 0.000 2.855 76 T HA 0.625 5.009 4.350 0.055 0.000 0.281 76 T C -0.702 174.259 174.700 0.434 0.000 1.007 76 T CA -0.492 61.876 62.100 0.447 0.000 1.009 76 T CB 1.811 70.887 68.868 0.347 0.000 0.983 76 T HN 0.130 nan 8.240 nan 0.000 0.455 77 V N 3.179 123.277 119.914 0.306 0.000 2.487 77 V HA 0.452 4.605 4.120 0.055 0.000 0.298 77 V C -0.301 175.883 176.094 0.149 0.000 1.028 77 V CA -0.773 61.615 62.300 0.147 0.000 0.860 77 V CB 1.872 33.699 31.823 0.007 0.000 0.991 77 V HN 0.702 nan 8.190 nan 0.000 0.427 78 V N 6.411 126.424 119.914 0.166 0.000 2.394 78 V HA 0.533 4.686 4.120 0.055 0.000 0.282 78 V C -0.275 175.907 176.094 0.147 0.000 1.031 78 V CA -0.446 61.946 62.300 0.154 0.000 0.881 78 V CB 1.580 33.510 31.823 0.178 0.000 0.982 78 V HN 0.709 nan 8.190 nan 0.000 0.451 79 L N 5.413 126.623 121.223 -0.021 0.000 2.410 79 L HA 0.675 5.048 4.340 0.055 0.000 0.270 79 L C -0.757 176.035 176.870 -0.130 0.000 0.983 79 L CA -0.511 54.295 54.840 -0.057 0.000 0.822 79 L CB 1.772 43.760 42.059 -0.119 0.000 1.285 79 L HN 0.450 nan 8.230 nan 0.000 0.409 80 K N 5.856 126.226 120.400 -0.050 0.000 2.292 80 K HA 0.479 4.832 4.320 0.055 0.000 0.257 80 K C -0.916 175.621 176.600 -0.106 0.000 0.940 80 K CA -0.617 55.621 56.287 -0.082 0.000 0.811 80 K CB 2.236 34.758 32.500 0.036 0.000 1.120 80 K HN 0.636 nan 8.250 nan 0.000 0.428 81 L N 2.507 123.653 121.223 -0.127 0.000 2.462 81 L HA 0.130 4.503 4.340 0.055 0.000 0.272 81 L C 1.115 177.931 176.870 -0.091 0.000 1.166 81 L CA 0.298 55.078 54.840 -0.100 0.000 0.880 81 L CB 0.046 42.054 42.059 -0.084 0.000 1.142 81 L HN 0.679 nan 8.230 nan 0.000 0.473 82 N N 1.610 120.264 118.700 -0.076 0.000 2.466 82 N HA 0.098 4.871 4.740 0.055 0.000 0.272 82 N C 0.970 176.448 175.510 -0.052 0.000 1.455 82 N CA 0.092 53.099 53.050 -0.073 0.000 0.875 82 N CB 0.762 39.209 38.487 -0.067 0.000 1.372 82 N HN 0.821 nan 8.380 nan 0.000 0.492 83 G N -0.457 108.319 108.800 -0.040 0.000 2.777 83 G HA2 0.137 4.130 3.960 0.055 0.000 0.211 83 G HA3 0.137 4.130 3.960 0.055 0.000 0.211 83 G C 0.666 175.555 174.900 -0.018 0.000 1.149 83 G CA 0.068 45.156 45.100 -0.019 0.000 0.785 83 G HN 0.239 nan 8.290 nan 0.000 0.536 84 G N -0.124 108.654 108.800 -0.035 0.000 2.444 84 G HA2 0.515 4.508 3.960 0.055 0.000 0.268 84 G HA3 0.515 4.508 3.960 0.055 0.000 0.268 84 G C -0.459 174.418 174.900 -0.038 0.000 1.203 84 G CA -0.452 44.627 45.100 -0.036 0.000 0.835 84 G HN 0.210 nan 8.290 nan 0.000 0.543 85 L N 0.648 121.857 121.223 -0.023 0.000 2.331 85 L HA 0.548 4.921 4.340 0.055 0.000 0.268 85 L C 1.439 178.300 176.870 -0.015 0.000 1.015 85 L CA -0.957 53.874 54.840 -0.015 0.000 0.807 85 L CB 1.965 44.024 42.059 0.001 0.000 1.293 85 L HN 0.612 nan 8.230 nan 0.000 0.451 86 G N -0.864 107.934 108.800 -0.003 0.000 3.562 86 G HA2 0.071 4.064 3.960 0.055 0.000 0.279 86 G HA3 0.071 4.064 3.960 0.055 0.000 0.279 86 G C 0.877 175.783 174.900 0.009 0.000 1.314 86 G CA -0.067 45.035 45.100 0.004 0.000 1.189 86 G HN 0.680 nan 8.290 nan 0.000 0.562 87 T N 0.943 115.500 114.554 0.005 0.000 2.580 87 T HA -0.056 4.328 4.350 0.055 0.000 0.265 87 T C 2.026 176.731 174.700 0.007 0.000 1.063 87 T CA 1.172 63.277 62.100 0.008 0.000 1.170 87 T CB -0.437 68.433 68.868 0.004 0.000 0.863 87 T HN 0.438 nan 8.240 nan 0.000 0.418 91 L N -0.319 120.923 121.223 0.032 0.000 2.466 91 L HA 0.776 5.149 4.340 0.055 0.000 0.258 91 L C 0.004 176.889 176.870 0.024 0.000 0.973 91 L CA -0.578 54.282 54.840 0.032 0.000 0.826 91 L CB 2.061 44.141 42.059 0.036 0.000 1.372 91 L HN 0.052 nan 8.230 nan 0.000 0.409 92 C N 1.141 120.455 119.300 0.023 0.000 3.385 92 C HA 0.405 4.898 4.460 0.055 0.000 0.288 92 C C 0.281 175.278 174.990 0.011 0.000 1.429 92 C CA -0.406 58.624 59.018 0.020 0.000 1.778 92 C CB -0.578 27.178 27.740 0.027 0.000 2.503 92 C HN 0.801 nan 8.230 nan 0.000 0.646 93 D N 0.806 121.211 120.400 0.009 0.000 2.437 93 D HA 0.564 5.237 4.640 0.055 0.000 0.259 93 D C 0.153 176.446 176.300 -0.011 0.000 1.118 93 D CA 0.043 54.042 54.000 -0.002 0.000 1.017 93 D CB 1.208 42.011 40.800 0.005 0.000 1.120 93 D HN 0.266 nan 8.370 nan 0.000 0.541 94 A N 1.449 124.253 122.820 -0.028 0.000 2.511 94 A HA 0.090 4.443 4.320 0.055 0.000 0.242 94 A C 1.169 178.732 177.584 -0.035 0.000 1.069 94 A CA 0.040 52.052 52.037 -0.041 0.000 0.763 94 A CB 0.304 19.268 19.000 -0.060 0.000 1.001 94 A HN 0.582 nan 8.150 nan 0.000 0.498 95 K N 1.642 122.014 120.400 -0.047 0.000 2.103 95 K HA -0.153 4.200 4.320 0.055 0.000 0.207 95 K C 1.824 178.414 176.600 -0.018 0.000 1.048 95 K CA 2.707 58.963 56.287 -0.052 0.000 0.930 95 K CB -0.560 31.863 32.500 -0.128 0.000 0.716 95 K HN 0.843 nan 8.250 nan 0.000 0.444 96 T N -1.277 113.240 114.554 -0.061 0.000 3.051 96 T HA -0.022 4.361 4.350 0.055 0.000 0.269 96 T C 1.457 176.202 174.700 0.075 0.000 1.127 96 T CA 0.797 62.922 62.100 0.042 0.000 1.107 96 T CB -0.212 68.631 68.868 -0.041 0.000 0.898 96 T HN 0.176 nan 8.240 nan 0.000 0.517 97 L N 0.190 121.382 121.223 -0.052 0.000 2.611 97 L HA 0.400 4.774 4.340 0.055 0.000 0.229 97 L C 0.485 177.334 176.870 -0.036 0.000 1.137 97 L CA -0.453 54.272 54.840 -0.192 0.000 0.901 97 L CB -0.178 41.749 42.059 -0.221 0.000 1.098 97 L HN 0.256 nan 8.230 nan 0.000 0.456 98 L N 1.073 122.357 121.223 0.103 0.000 2.380 98 L HA 0.128 4.501 4.340 0.055 0.000 0.273 98 L C 0.686 177.547 176.870 -0.015 0.000 1.138 98 L CA 0.274 55.172 54.840 0.098 0.000 0.832 98 L CB 0.633 42.826 42.059 0.223 0.000 1.124 98 L HN 0.048 nan 8.230 nan 0.000 0.454 99 E N 3.284 123.476 120.200 -0.013 0.000 2.324 99 E HA 0.077 4.460 4.350 0.055 0.000 0.271 99 E C -0.116 176.411 176.600 -0.122 0.000 1.028 99 E CA -0.092 56.281 56.400 -0.045 0.000 0.890 99 E CB 1.084 30.794 29.700 0.017 0.000 1.004 99 E HN 0.660 nan 8.360 nan 0.000 0.431 100 V N 4.513 124.318 119.914 -0.182 0.000 3.048 100 V HA 0.146 4.299 4.120 0.055 0.000 0.241 100 V C 0.363 176.433 176.094 -0.040 0.000 1.129 100 V CA 0.634 62.793 62.300 -0.235 0.000 1.128 100 V CB 0.312 31.839 31.823 -0.493 0.000 0.849 100 V HN 0.636 nan 8.190 nan 0.000 0.475 101 K N 0.091 120.550 120.400 0.098 0.000 2.570 101 K HA 0.197 4.550 4.320 0.055 0.000 0.256 101 K C -1.379 175.308 176.600 0.145 0.000 0.939 101 K CA -0.435 55.936 56.287 0.139 0.000 0.833 101 K CB 1.430 34.039 32.500 0.182 0.000 1.318 101 K HN 0.120 nan 8.250 nan 0.000 0.433 102 D N 3.255 123.711 120.400 0.094 0.000 2.692 102 D HA -0.217 4.456 4.640 0.055 0.000 0.233 102 D C 0.693 177.021 176.300 0.047 0.000 1.172 102 D CA 2.071 56.114 54.000 0.071 0.000 0.636 102 D CB -1.051 39.803 40.800 0.090 0.000 1.028 102 D HN 1.099 nan 8.370 nan 0.000 0.419 103 G N -0.610 108.212 108.800 0.036 0.000 2.179 103 G HA2 -0.374 3.620 3.960 0.055 0.000 0.260 103 G HA3 -0.374 3.620 3.960 0.055 0.000 0.260 103 G C 0.348 175.251 174.900 0.004 0.000 0.977 103 G CA 0.798 45.912 45.100 0.023 0.000 0.641 103 G HN 0.499 nan 8.290 nan 0.000 0.533 104 K N 1.366 121.743 120.400 -0.039 0.000 2.143 104 K HA 0.570 4.923 4.320 0.055 0.000 0.272 104 K C 0.903 177.435 176.600 -0.114 0.000 1.001 104 K CA 0.137 56.322 56.287 -0.170 0.000 0.915 104 K CB 1.241 33.384 32.500 -0.595 0.000 1.047 104 K HN 0.330 nan 8.250 nan 0.000 0.458 105 T N -1.668 112.830 114.554 -0.093 0.000 2.884 105 T HA 0.264 4.647 4.350 0.055 0.000 0.277 105 T C 1.143 175.827 174.700 -0.026 0.000 0.976 105 T CA -0.553 61.493 62.100 -0.090 0.000 0.956 105 T CB 0.240 69.049 68.868 -0.098 0.000 1.113 105 T HN 0.360 nan 8.240 nan 0.000 0.554 106 F N -0.172 119.814 119.950 0.061 0.000 2.102 106 F HA 0.024 4.585 4.527 0.056 0.000 0.298 106 F C 2.332 178.179 175.800 0.078 0.000 1.105 106 F CA 0.895 58.963 58.000 0.113 0.000 1.239 106 F CB -0.687 38.324 39.000 0.018 0.000 0.991 106 F HN 0.346 nan 8.300 nan 0.000 0.474 107 L N 0.477 121.802 121.223 0.170 0.000 2.013 107 L HA -0.253 4.120 4.340 0.055 0.000 0.212 107 L C 1.996 178.900 176.870 0.056 0.000 1.073 107 L CA 1.883 56.767 54.840 0.073 0.000 0.753 107 L CB -1.026 40.962 42.059 -0.118 0.000 0.890 107 L HN 0.087 nan 8.230 nan 0.000 0.432 108 D N -0.831 119.610 120.400 0.069 0.000 2.116 108 D HA -0.262 4.411 4.640 0.055 0.000 0.193 108 D C 2.171 178.396 176.300 -0.125 0.000 0.998 108 D CA 1.977 55.997 54.000 0.033 0.000 0.836 108 D CB -0.280 40.496 40.800 -0.040 0.000 0.951 108 D HN 0.424 nan 8.370 nan 0.000 0.449 109 F N 1.170 121.153 119.950 0.055 0.000 2.134 109 F HA -0.170 4.390 4.527 0.055 0.000 0.299 109 F C 2.837 178.621 175.800 -0.025 0.000 1.097 109 F CA 1.080 59.106 58.000 0.044 0.000 1.264 109 F CB -0.493 38.541 39.000 0.056 0.000 1.001 109 F HN -0.095 nan 8.300 nan 0.000 0.479 110 T N -0.228 114.392 114.554 0.110 0.000 2.737 110 T HA -0.163 4.220 4.350 0.055 0.000 0.265 110 T C 2.241 176.730 174.700 -0.351 0.000 1.038 110 T CA 1.184 63.218 62.100 -0.110 0.000 1.144 110 T CB -0.626 68.154 68.868 -0.147 0.000 0.866 110 T HN 0.301 nan 8.240 nan 0.000 0.434 111 A N 1.228 123.839 122.820 -0.348 0.000 1.908 111 A HA -0.015 4.338 4.320 0.055 0.000 0.218 111 A C 2.272 179.754 177.584 -0.170 0.000 1.181 111 A CA 1.292 53.078 52.037 -0.418 0.000 0.627 111 A CB -0.841 17.642 19.000 -0.863 0.000 0.818 111 A HN 0.484 nan 8.150 nan 0.000 0.445 112 L N -1.273 119.847 121.223 -0.172 0.000 2.156 112 L HA -0.186 4.188 4.340 0.055 0.000 0.208 112 L C 2.816 179.637 176.870 -0.081 0.000 1.095 112 L CA 1.203 55.912 54.840 -0.218 0.000 0.770 112 L CB -0.481 41.250 42.059 -0.547 0.000 0.914 112 L HN 0.453 nan 8.230 nan 0.000 0.439 113 Q N -0.584 119.238 119.800 0.038 0.000 2.084 113 Q HA -0.173 4.201 4.340 0.055 0.000 0.202 113 Q C 2.379 178.450 176.000 0.118 0.000 0.978 113 Q CA 1.502 57.383 55.803 0.130 0.000 0.844 113 Q CB -0.145 28.646 28.738 0.088 0.000 0.898 113 Q HN 0.306 nan 8.270 nan 0.000 0.426 114 V N 0.946 120.861 119.914 0.003 0.000 2.255 114 V HA -0.331 3.822 4.120 0.055 0.000 0.247 114 V C 2.346 178.511 176.094 0.117 0.000 1.051 114 V CA 2.224 64.545 62.300 0.035 0.000 1.018 114 V CB -0.700 31.071 31.823 -0.087 0.000 0.641 114 V HN 0.454 nan 8.190 nan 0.000 0.445 115 Q N -1.068 118.810 119.800 0.129 0.000 2.096 115 Q HA -0.295 4.079 4.340 0.055 0.000 0.204 115 Q C 2.234 178.239 176.000 0.008 0.000 0.982 115 Q CA 2.447 58.212 55.803 -0.063 0.000 0.850 115 Q CB -0.317 28.371 28.738 -0.083 0.000 0.901 115 Q HN 0.763 nan 8.270 nan 0.000 0.422 116 Y N 0.627 120.938 120.300 0.019 0.000 2.181 116 Y HA -0.187 4.396 4.550 0.055 0.000 0.288 116 Y C 1.789 177.746 175.900 0.095 0.000 1.146 116 Y CA 1.582 59.736 58.100 0.090 0.000 1.164 116 Y CB -0.096 38.463 38.460 0.165 0.000 0.982 116 Y HN 0.107 nan 8.280 nan 0.000 0.515 117 L N -0.421 120.948 121.223 0.243 0.000 2.156 117 L HA -0.163 4.210 4.340 0.055 0.000 0.208 117 L C 2.468 179.388 176.870 0.082 0.000 1.095 117 L CA 1.113 56.059 54.840 0.177 0.000 0.770 117 L CB -0.428 41.739 42.059 0.181 0.000 0.914 117 L HN 0.119 nan 8.230 nan 0.000 0.439 118 R N -0.224 120.300 120.500 0.040 0.000 2.148 118 R HA -0.122 4.251 4.340 0.055 0.000 0.227 118 R C 2.031 178.289 176.300 -0.070 0.000 1.103 118 R CA 1.011 57.100 56.100 -0.019 0.000 0.983 118 R CB -0.053 30.207 30.300 -0.067 0.000 0.874 118 R HN 0.539 nan 8.270 nan 0.000 0.451 119 Q N -1.565 118.193 119.800 -0.070 0.000 2.391 119 Q HA 0.001 4.374 4.340 0.055 0.000 0.211 119 Q C 0.781 176.675 176.000 -0.176 0.000 0.908 119 Q CA 0.745 56.478 55.803 -0.118 0.000 0.920 119 Q CB 0.481 29.153 28.738 -0.109 0.000 1.056 119 Q HN 0.457 nan 8.270 nan 0.000 0.523 120 H N -2.127 116.802 119.070 -0.235 0.000 2.855 120 H HA 0.193 4.783 4.556 0.055 0.000 0.259 120 H C 1.058 176.339 175.328 -0.078 0.000 0.972 120 H CA 0.253 56.184 56.048 -0.194 0.000 1.213 120 H CB 0.722 30.293 29.762 -0.317 0.000 1.451 120 H HN 0.146 nan 8.280 nan 0.000 0.484 121 C N -1.139 118.204 119.300 0.072 0.000 2.904 121 C HA 0.368 4.861 4.460 0.055 0.000 0.524 121 C C 0.060 175.083 174.990 0.055 0.000 1.313 121 C CA 0.287 59.346 59.018 0.070 0.000 2.614 121 C CB 0.125 27.926 27.740 0.102 0.000 3.335 121 C HN 0.439 nan 8.230 nan 0.000 0.519 122 S N 1.371 117.105 115.700 0.057 0.000 2.680 122 S HA 0.255 4.758 4.470 0.055 0.000 0.262 122 S C 0.057 174.673 174.600 0.027 0.000 1.138 122 S CA -0.183 58.055 58.200 0.064 0.000 1.072 122 S CB 0.652 63.924 63.200 0.119 0.000 1.097 122 S HN 0.519 nan 8.310 nan 0.000 0.468 123 E N 2.082 122.235 120.200 -0.078 0.000 2.478 123 E HA -0.158 4.226 4.350 0.055 0.000 0.198 123 E C 0.109 176.578 176.600 -0.219 0.000 1.046 123 E CA 0.791 57.081 56.400 -0.182 0.000 0.870 123 E CB -0.401 29.128 29.700 -0.284 0.000 0.818 123 E HN 0.855 nan 8.360 nan 0.000 0.527 124 H N 0.309 119.445 119.070 0.109 0.000 2.586 124 H HA 0.178 4.768 4.556 0.056 0.000 0.273 124 H C 0.334 175.825 175.328 0.271 0.000 0.997 124 H CA -0.565 55.585 56.048 0.170 0.000 1.177 124 H CB 0.322 30.150 29.762 0.110 0.000 1.471 124 H HN 0.101 nan 8.280 nan 0.000 0.538 125 L N 2.687 124.090 121.223 0.300 0.000 2.584 125 L HA 0.032 4.405 4.340 0.055 0.000 0.272 125 L C 0.568 177.625 176.870 0.312 0.000 1.195 125 L CA 0.069 55.096 54.840 0.313 0.000 0.920 125 L CB 0.271 42.465 42.059 0.224 0.000 1.173 125 L HN -0.055 nan 8.230 nan 0.000 0.489 126 R N 4.382 125.063 120.500 0.302 0.000 2.410 126 R HA 0.487 4.860 4.340 0.055 0.000 0.288 126 R C -0.994 175.443 176.300 0.230 0.000 1.051 126 R CA -0.199 55.999 56.100 0.162 0.000 1.021 126 R CB 0.639 30.838 30.300 -0.169 0.000 1.032 126 R HN 0.570 nan 8.270 nan 0.000 0.481 132 S N -0.957 114.753 115.700 0.016 0.000 2.745 132 S HA 0.507 5.010 4.470 0.055 0.000 0.306 132 S C 0.552 175.198 174.600 0.077 0.000 1.137 132 S CA -0.750 57.483 58.200 0.056 0.000 0.900 132 S CB 1.284 64.519 63.200 0.059 0.000 1.176 132 S HN 0.424 nan 8.310 nan 0.000 0.520 133 F N 1.746 121.693 119.950 -0.004 0.000 2.269 133 F HA -0.011 4.549 4.527 0.055 0.000 0.301 133 F C 1.593 177.398 175.800 0.008 0.000 1.082 133 F CA 1.737 59.735 58.000 -0.004 0.000 1.360 133 F CB -0.738 38.251 39.000 -0.017 0.000 1.041 133 F HN 0.697 nan 8.300 nan 0.000 0.512 134 N N -1.199 117.499 118.700 -0.003 0.000 2.409 134 N HA -0.088 4.685 4.740 0.055 0.000 0.179 134 N C 1.302 176.750 175.510 -0.103 0.000 1.032 134 N CA 1.284 54.295 53.050 -0.065 0.000 0.898 134 N CB -0.023 38.493 38.487 0.049 0.000 0.971 134 N HN 0.392 nan 8.380 nan 0.000 0.441 135 T N -4.038 110.469 114.554 -0.078 0.000 2.985 135 T HA 0.197 4.580 4.350 0.055 0.000 0.254 135 T C 1.700 176.370 174.700 -0.049 0.000 1.021 135 T CA -0.252 61.813 62.100 -0.059 0.000 0.957 135 T CB 0.292 69.140 68.868 -0.033 0.000 1.047 135 T HN -0.124 nan 8.240 nan 0.000 0.511 136 S N 1.867 117.532 115.700 -0.059 0.000 2.365 136 S HA -0.094 4.409 4.470 0.055 0.000 0.221 136 S C 2.496 177.065 174.600 -0.051 0.000 1.037 136 S CA 1.815 60.020 58.200 0.009 0.000 1.060 136 S CB -1.057 62.143 63.200 -0.001 0.000 0.974 136 S HN 0.760 nan 8.310 nan 0.000 0.427 137 A N 0.405 123.145 122.820 -0.134 0.000 1.873 137 A HA -0.115 4.239 4.320 0.055 0.000 0.218 137 A C 2.464 179.979 177.584 -0.115 0.000 1.193 137 A CA 2.440 54.393 52.037 -0.140 0.000 0.629 137 A CB -1.390 17.514 19.000 -0.161 0.000 0.826 137 A HN 0.552 nan 8.150 nan 0.000 0.447 138 S N -1.088 114.560 115.700 -0.087 0.000 2.382 138 S HA -0.113 4.391 4.470 0.055 0.000 0.228 138 S C 2.059 176.655 174.600 -0.007 0.000 1.027 138 S CA 1.759 59.934 58.200 -0.042 0.000 0.991 138 S CB -0.425 62.752 63.200 -0.037 0.000 0.823 138 S HN 0.734 nan 8.310 nan 0.000 0.469 139 T N 1.376 115.917 114.554 -0.022 0.000 2.737 139 T HA -0.054 4.330 4.350 0.055 0.000 0.265 139 T C 1.841 176.524 174.700 -0.029 0.000 1.038 139 T CA 1.199 63.316 62.100 0.027 0.000 1.144 139 T CB -0.153 68.766 68.868 0.084 0.000 0.866 139 T HN 0.385 nan 8.240 nan 0.000 0.434 140 K N 1.258 121.480 120.400 -0.298 0.000 2.032 140 K HA -0.134 4.219 4.320 0.055 0.000 0.209 140 K C 2.549 179.000 176.600 -0.248 0.000 1.048 140 K CA 1.783 57.700 56.287 -0.617 0.000 0.927 140 K CB -0.214 31.802 32.500 -0.806 0.000 0.712 140 K HN 0.415 nan 8.250 nan 0.000 0.441 141 S N -0.176 115.425 115.700 -0.166 0.000 2.447 141 S HA -0.141 4.362 4.470 0.055 0.000 0.233 141 S C 1.826 176.359 174.600 -0.112 0.000 1.006 141 S CA 0.635 58.739 58.200 -0.160 0.000 0.957 141 S CB -0.522 62.610 63.200 -0.113 0.000 0.773 141 S HN 0.429 nan 8.310 nan 0.000 0.507 142 F N 2.397 122.268 119.950 -0.132 0.000 2.098 142 F HA 0.166 4.726 4.527 0.055 0.000 0.294 142 F C 1.901 177.667 175.800 -0.058 0.000 1.107 142 F CA 1.161 59.117 58.000 -0.073 0.000 1.234 142 F CB -0.390 38.599 39.000 -0.019 0.000 1.002 142 F HN 0.118 nan 8.300 nan 0.000 0.472 143 L N 0.532 121.815 121.223 0.100 0.000 2.046 143 L HA -0.241 4.132 4.340 0.055 0.000 0.208 143 L C 2.573 179.357 176.870 -0.143 0.000 1.077 143 L CA 1.761 56.637 54.840 0.060 0.000 0.747 143 L CB -0.844 41.319 42.059 0.174 0.000 0.896 143 L HN 0.149 nan 8.230 nan 0.000 0.432 144 K N 0.409 120.637 120.400 -0.286 0.000 2.074 144 K HA -0.234 4.119 4.320 0.055 0.000 0.209 144 K C 2.037 178.364 176.600 -0.455 0.000 1.048 144 K CA 1.626 57.512 56.287 -0.668 0.000 0.926 144 K CB -0.069 31.777 32.500 -1.089 0.000 0.713 144 K HN 0.321 nan 8.250 nan 0.000 0.444 145 A N 0.593 123.168 122.820 -0.408 0.000 1.975 145 A HA -0.000 4.353 4.320 0.055 0.000 0.215 145 A C 1.803 179.130 177.584 -0.428 0.000 1.170 145 A CA 0.685 52.496 52.037 -0.377 0.000 0.656 145 A CB 0.014 18.802 19.000 -0.353 0.000 0.821 145 A HN 0.186 nan 8.150 nan 0.000 0.449 146 R N -2.397 117.758 120.500 -0.575 0.000 2.316 146 R HA 0.214 4.587 4.340 0.055 0.000 0.201 146 R C -0.769 174.940 176.300 -0.986 0.000 0.888 146 R CA 0.382 56.017 56.100 -0.774 0.000 1.041 146 R CB -0.009 29.682 30.300 -1.014 0.000 1.115 146 R HN 0.549 nan 8.270 nan 0.000 0.559 147 Y N 0.106 120.249 120.300 -0.262 0.000 2.544 147 Y HA 0.319 4.903 4.550 0.056 0.000 0.347 147 Y C -1.907 173.788 175.900 -0.341 0.000 1.089 147 Y CA -2.024 55.863 58.100 -0.355 0.000 1.230 147 Y CB 1.830 39.944 38.460 -0.578 0.000 1.101 147 Y HN -0.099 nan 8.280 nan 0.000 0.641 148 P HA -0.202 nan 4.420 nan 0.000 0.218 148 P C 1.544 178.966 177.300 0.204 0.000 1.148 148 P CA 1.796 64.966 63.100 0.116 0.000 0.822 148 P CB 0.019 31.795 31.700 0.126 0.000 0.784 149 W N -0.918 120.484 121.300 0.171 0.000 2.465 149 W HA 0.020 4.713 4.660 0.055 0.000 0.268 149 W C 1.084 177.708 176.519 0.174 0.000 1.242 149 W CA 0.543 57.980 57.345 0.153 0.000 1.248 149 W CB -1.649 27.892 29.460 0.135 0.000 1.118 149 W HN 0.003 nan 8.180 nan 0.000 0.587 150 L N -0.838 120.261 121.223 -0.206 0.000 2.357 150 L HA -0.033 4.341 4.340 0.055 0.000 0.211 150 L C 2.614 179.518 176.870 0.057 0.000 1.075 150 L CA 0.580 55.335 54.840 -0.143 0.000 0.830 150 L CB -0.988 40.837 42.059 -0.389 0.000 0.996 150 L HN -0.200 nan 8.230 nan 0.000 0.467 151 Y N 1.146 121.430 120.300 -0.027 0.000 2.181 151 Y HA -0.250 4.334 4.550 0.057 0.000 0.288 151 Y C 2.705 178.650 175.900 0.074 0.000 1.146 151 Y CA 1.478 59.591 58.100 0.023 0.000 1.164 151 Y CB -0.101 38.327 38.460 -0.054 0.000 0.982 151 Y HN 0.119 nan 8.280 nan 0.000 0.515 152 Q N -0.132 119.660 119.800 -0.014 0.000 2.152 152 Q HA -0.120 4.254 4.340 0.055 0.000 0.206 152 Q C 1.576 177.518 176.000 -0.096 0.000 0.985 152 Q CA 2.045 57.806 55.803 -0.071 0.000 0.863 152 Q CB -0.551 28.237 28.738 0.083 0.000 0.904 152 Q HN 0.542 nan 8.270 nan 0.000 0.422 153 V N -3.018 116.879 119.914 -0.028 0.000 2.940 153 V HA 0.164 4.318 4.120 0.055 0.000 0.366 153 V C 1.168 177.235 176.094 -0.046 0.000 1.353 153 V CA -0.344 61.941 62.300 -0.025 0.000 1.232 153 V CB -0.894 30.941 31.823 0.021 0.000 1.278 153 V HN -0.001 nan 8.190 nan 0.000 0.546 154 F N 2.591 122.413 119.950 -0.213 0.000 2.069 154 F HA -0.084 4.478 4.527 0.058 0.000 0.298 154 F C 1.732 177.440 175.800 -0.152 0.000 1.113 154 F CA 2.638 60.525 58.000 -0.189 0.000 1.214 154 F CB -0.004 38.864 39.000 -0.219 0.000 0.978 154 F HN 0.352 nan 8.300 nan 0.000 0.474 155 D N -0.727 119.625 120.400 -0.081 0.000 2.137 155 D HA -0.117 4.556 4.640 0.055 0.000 0.202 155 D C 2.488 178.693 176.300 -0.159 0.000 0.970 155 D CA 1.541 55.457 54.000 -0.140 0.000 0.837 155 D CB -0.405 40.385 40.800 -0.016 0.000 0.981 155 D HN 0.349 nan 8.370 nan 0.000 0.475 156 S N 0.382 116.016 115.700 -0.111 0.000 2.399 156 S HA -0.175 4.329 4.470 0.055 0.000 0.231 156 S C 1.458 175.993 174.600 -0.110 0.000 1.022 156 S CA 1.312 59.459 58.200 -0.088 0.000 0.983 156 S CB -0.319 62.851 63.200 -0.050 0.000 0.803 156 S HN 0.575 nan 8.310 nan 0.000 0.480 157 E N -0.835 119.278 120.200 -0.145 0.000 2.703 157 E HA 0.278 4.661 4.350 0.055 0.000 0.214 157 E C 0.998 177.465 176.600 -0.223 0.000 0.944 157 E CA 0.071 56.380 56.400 -0.153 0.000 1.299 157 E CB 0.179 29.830 29.700 -0.082 0.000 1.189 157 E HN 0.331 nan 8.360 nan 0.000 0.597 158 V N 1.172 120.887 119.914 -0.331 0.000 2.490 158 V HA 0.016 4.169 4.120 0.055 0.000 0.238 158 V C 1.098 176.854 176.094 -0.563 0.000 1.056 158 V CA 0.927 62.955 62.300 -0.452 0.000 1.075 158 V CB 0.248 31.783 31.823 -0.480 0.000 0.746 158 V HN 0.238 nan 8.190 nan 0.000 0.479 159 E N 0.649 120.374 120.200 -0.792 0.000 2.338 159 E HA 0.341 4.724 4.350 0.055 0.000 0.272 159 E C -0.940 175.434 176.600 -0.376 0.000 1.029 159 E CA -0.213 55.777 56.400 -0.683 0.000 0.872 159 E CB 1.133 30.227 29.700 -1.009 0.000 1.015 159 E HN 0.211 nan 8.360 nan 0.000 0.417 163 N N 2.020 120.737 118.700 0.029 0.000 2.288 163 N HA 0.186 4.959 4.740 0.055 0.000 0.237 163 N C -0.844 174.693 175.510 0.045 0.000 1.311 163 N CA 0.272 53.342 53.050 0.032 0.000 0.909 163 N CB 0.609 39.129 38.487 0.054 0.000 1.167 163 N HN 0.516 nan 8.380 nan 0.000 0.476 164 Q N 0.679 120.508 119.800 0.047 0.000 2.285 164 Q HA 0.389 4.762 4.340 0.055 0.000 0.269 164 Q C -0.882 175.256 176.000 0.231 0.000 1.030 164 Q CA -0.706 55.163 55.803 0.111 0.000 0.788 164 Q CB 2.424 31.187 28.738 0.042 0.000 1.266 164 Q HN 0.469 nan 8.270 nan 0.000 0.438 165 V N -0.553 119.488 119.914 0.211 0.000 2.994 165 V HA 0.741 4.894 4.120 0.055 0.000 0.318 165 V C -2.721 173.333 176.094 -0.066 0.000 1.085 165 V CA -2.902 59.414 62.300 0.028 0.000 0.998 165 V CB 1.539 33.268 31.823 -0.157 0.000 1.063 165 V HN 0.520 nan 8.190 nan 0.000 0.447 166 P HA 0.338 nan 4.420 nan 0.000 0.281 166 P C -0.889 176.272 177.300 -0.232 0.000 1.252 166 P CA -0.224 62.478 63.100 -0.663 0.000 0.778 166 P CB 0.307 31.544 31.700 -0.772 0.000 0.895 167 K N 3.638 123.927 120.400 -0.185 0.000 2.298 167 K HA 0.362 4.715 4.320 0.055 0.000 0.280 167 K C 0.512 177.101 176.600 -0.018 0.000 1.032 167 K CA -0.379 55.888 56.287 -0.033 0.000 0.958 167 K CB 0.409 32.874 32.500 -0.058 0.000 0.978 167 K HN 0.506 nan 8.250 nan 0.000 0.472 168 I N 0.027 120.643 120.570 0.077 0.000 2.493 168 I HA 0.338 4.541 4.170 0.055 0.000 0.298 168 I C -0.382 175.728 176.117 -0.012 0.000 0.998 168 I CA -1.250 60.097 61.300 0.079 0.000 1.137 168 I CB 1.046 39.169 38.000 0.204 0.000 1.310 168 I HN 0.373 nan 8.210 nan 0.000 0.445 169 L N 4.906 126.105 121.223 -0.039 0.000 2.490 169 L HA 0.105 4.479 4.340 0.055 0.000 0.274 169 L C 1.459 178.210 176.870 -0.198 0.000 1.201 169 L CA 0.154 54.925 54.840 -0.116 0.000 0.869 169 L CB 0.447 42.468 42.059 -0.064 0.000 1.123 169 L HN 0.756 nan 8.230 nan 0.000 0.484 170 Q N 1.484 121.040 119.800 -0.406 0.000 2.167 170 Q HA -0.189 4.185 4.340 0.055 0.000 0.202 170 Q C 1.358 177.237 176.000 -0.202 0.000 0.970 170 Q CA 1.628 57.052 55.803 -0.632 0.000 0.855 170 Q CB 0.002 28.245 28.738 -0.824 0.000 0.911 170 Q HN 0.822 nan 8.270 nan 0.000 0.438 171 D N -0.043 120.279 120.400 -0.130 0.000 2.137 171 D HA -0.126 4.548 4.640 0.055 0.000 0.202 171 D C 1.828 178.121 176.300 -0.012 0.000 0.970 171 D CA 1.907 55.876 54.000 -0.051 0.000 0.837 171 D CB -0.399 40.373 40.800 -0.047 0.000 0.981 171 D HN 0.282 nan 8.370 nan 0.000 0.475 172 T N -2.590 111.959 114.554 -0.008 0.000 2.985 172 T HA 0.273 4.657 4.350 0.055 0.000 0.254 172 T C 1.424 176.158 174.700 0.056 0.000 1.021 172 T CA -0.011 62.103 62.100 0.023 0.000 0.957 172 T CB -0.119 68.762 68.868 0.021 0.000 1.047 172 T HN 0.220 nan 8.240 nan 0.000 0.511 173 L N 0.136 121.392 121.223 0.055 0.000 4.291 173 L HA -0.156 4.217 4.340 0.055 0.000 0.413 173 L C -0.094 176.911 176.870 0.225 0.000 1.162 173 L CA 0.508 55.408 54.840 0.100 0.000 0.961 173 L CB -2.087 39.978 42.059 0.010 0.000 2.095 173 L HN 0.510 nan 8.230 nan 0.000 0.838 174 E N 0.469 120.746 120.200 0.128 0.000 2.250 174 E HA 0.371 4.754 4.350 0.055 0.000 0.269 174 E C -2.171 174.463 176.600 0.057 0.000 1.018 174 E CA -2.117 54.346 56.400 0.106 0.000 0.873 174 E CB 0.844 30.576 29.700 0.054 0.000 1.134 174 E HN -0.123 nan 8.360 nan 0.000 0.403 175 P HA -0.080 nan 4.420 nan 0.000 0.258 175 P C -0.954 176.306 177.300 -0.066 0.000 1.187 175 P CA 0.439 63.496 63.100 -0.071 0.000 0.767 175 P CB 0.249 31.872 31.700 -0.128 0.000 0.770 176 A N 3.921 126.695 122.820 -0.076 0.000 2.406 176 A HA 0.541 4.894 4.320 0.055 0.000 0.243 176 A C 0.301 177.873 177.584 -0.020 0.000 1.082 176 A CA 0.367 52.379 52.037 -0.043 0.000 0.786 176 A CB 0.041 19.006 19.000 -0.058 0.000 1.029 176 A HN 0.537 nan 8.150 nan 0.000 0.495 177 A N 0.621 123.478 122.820 0.062 0.000 2.414 177 A HA 0.655 5.009 4.320 0.055 0.000 0.306 177 A C -0.989 176.773 177.584 0.296 0.000 1.054 177 A CA -0.282 51.824 52.037 0.116 0.000 0.724 177 A CB 1.020 20.063 19.000 0.072 0.000 1.267 177 A HN 1.250 nan 8.150 nan 0.000 0.418 178 W N 3.094 124.392 121.300 -0.004 0.000 2.409 178 W HA 0.414 5.107 4.660 0.055 0.000 0.285 178 W C 0.375 176.883 176.519 -0.018 0.000 1.030 178 W CA -0.077 57.272 57.345 0.006 0.000 1.330 178 W CB 1.632 31.123 29.460 0.053 0.000 1.236 178 W HN 0.979 nan 8.180 nan 0.000 0.341 179 A N 2.164 124.877 122.820 -0.177 0.000 1.986 179 A HA -0.255 4.098 4.320 0.055 0.000 0.220 179 A C 1.708 179.097 177.584 -0.325 0.000 1.171 179 A CA 2.092 54.005 52.037 -0.206 0.000 0.640 179 A CB -0.148 18.740 19.000 -0.187 0.000 0.811 179 A HN 0.724 nan 8.150 nan 0.000 0.451 180 E N -0.752 119.062 120.200 -0.644 0.000 2.058 180 E HA -0.145 4.238 4.350 0.055 0.000 0.194 180 E C 0.460 176.835 176.600 -0.375 0.000 0.997 180 E CA 1.073 57.120 56.400 -0.589 0.000 0.801 180 E CB -0.030 29.113 29.700 -0.927 0.000 0.746 180 E HN 0.510 nan 8.360 nan 0.000 0.450 181 N N -0.751 117.754 118.700 -0.326 0.000 2.685 181 N HA 0.111 4.885 4.740 0.055 0.000 0.252 181 N C -2.489 172.993 175.510 -0.047 0.000 1.261 181 N CA -1.371 51.523 53.050 -0.259 0.000 0.768 181 N CB 1.248 39.315 38.487 -0.701 0.000 1.304 181 N HN -0.222 nan 8.380 nan 0.000 0.536 182 P HA -0.125 nan 4.420 nan 0.000 0.218 182 P C 1.057 178.502 177.300 0.242 0.000 1.146 182 P CA 1.137 64.319 63.100 0.137 0.000 0.820 182 P CB 0.373 32.129 31.700 0.093 0.000 0.778 183 A N -1.802 121.118 122.820 0.166 0.000 2.070 183 A HA -0.193 4.160 4.320 0.055 0.000 0.220 183 A C 1.919 179.777 177.584 0.456 0.000 1.159 183 A CA 1.088 53.279 52.037 0.257 0.000 0.656 183 A CB -1.751 17.331 19.000 0.137 0.000 0.800 183 A HN 0.290 nan 8.150 nan 0.000 0.453 184 Y N -0.298 120.123 120.300 0.202 0.000 2.571 184 Y HA -0.108 4.475 4.550 0.055 0.000 0.294 184 Y C 2.134 178.074 175.900 0.068 0.000 1.141 184 Y CA 0.636 58.809 58.100 0.122 0.000 1.308 184 Y CB 0.009 38.526 38.460 0.095 0.000 1.002 184 Y HN 0.480 nan 8.280 nan 0.000 0.551 185 E N -0.777 119.579 120.200 0.260 0.000 2.347 185 E HA -0.129 4.254 4.350 0.055 0.000 0.196 185 E C -0.514 175.954 176.600 -0.221 0.000 1.008 185 E CA 0.489 56.874 56.400 -0.024 0.000 0.852 185 E CB 0.103 29.732 29.700 -0.118 0.000 0.783 185 E HN 0.301 nan 8.360 nan 0.000 0.505 186 W N 0.043 121.365 121.300 0.038 0.000 2.647 186 W HA 0.657 5.348 4.660 0.053 0.000 0.353 186 W C -0.323 176.197 176.519 0.002 0.000 1.080 186 W CA -0.691 56.652 57.345 -0.004 0.000 1.208 186 W CB 1.217 30.659 29.460 -0.031 0.000 1.396 186 W HN -0.266 nan 8.180 nan 0.000 0.573 187 A N 2.177 125.140 122.820 0.238 0.000 2.612 187 A HA 0.757 5.111 4.320 0.055 0.000 0.293 187 A C -2.849 174.809 177.584 0.122 0.000 1.075 187 A CA -1.617 50.502 52.037 0.136 0.000 0.680 187 A CB 1.154 20.196 19.000 0.071 0.000 1.279 187 A HN 0.326 nan 8.150 nan 0.000 0.411 188 P HA 0.249 nan 4.420 nan 0.000 0.272 188 P C -2.465 174.871 177.300 0.060 0.000 1.223 188 P CA -0.879 62.260 63.100 0.065 0.000 0.784 188 P CB 0.408 32.132 31.700 0.039 0.000 0.923 189 P HA 0.188 nan 4.420 nan 0.000 0.257 189 P C 0.405 177.715 177.300 0.016 0.000 1.737 189 P CA 0.111 63.254 63.100 0.072 0.000 1.130 189 P CB -0.221 31.554 31.700 0.125 0.000 1.572 190 G N 2.235 111.008 108.800 -0.045 0.000 2.758 190 G HA2 -0.237 3.756 3.960 0.055 0.000 0.686 190 G HA3 -0.237 3.756 3.960 0.055 0.000 0.686 190 G C 0.409 175.234 174.900 -0.124 0.000 1.389 190 G CA -0.110 44.887 45.100 -0.171 0.000 0.845 190 G HN 0.440 nan 8.290 nan 0.000 0.572 191 H N -0.454 118.622 119.070 0.010 0.000 2.521 191 H HA 0.164 4.753 4.556 0.054 0.000 0.286 191 H C 2.540 177.841 175.328 -0.046 0.000 1.034 191 H CA 1.808 57.840 56.048 -0.026 0.000 1.278 191 H CB -0.613 29.132 29.762 -0.029 0.000 1.386 191 H HN 0.995 nan 8.280 nan 0.000 0.567 192 G N 0.701 109.625 108.800 0.207 0.000 2.479 192 G HA2 -0.345 3.649 3.960 0.055 0.000 0.220 192 G HA3 -0.345 3.649 3.960 0.055 0.000 0.220 192 G C 1.311 176.282 174.900 0.118 0.000 1.115 192 G CA 0.943 46.172 45.100 0.214 0.000 0.757 192 G HN 0.553 nan 8.290 nan 0.000 0.560 193 D N -0.056 120.382 120.400 0.065 0.000 2.351 193 D HA -0.059 4.615 4.640 0.055 0.000 0.216 193 D C 2.155 178.449 176.300 -0.011 0.000 0.968 193 D CA 0.218 54.252 54.000 0.056 0.000 0.899 193 D CB -0.197 40.636 40.800 0.054 0.000 0.907 193 D HN 0.368 nan 8.370 nan 0.000 0.514 194 I N -0.432 120.052 120.570 -0.144 0.000 2.151 194 I HA -0.369 3.834 4.170 0.055 0.000 0.243 194 I C 1.274 177.268 176.117 -0.205 0.000 1.080 194 I CA 1.454 62.608 61.300 -0.243 0.000 1.339 194 I CB -0.145 37.605 38.000 -0.416 0.000 1.039 194 I HN 0.142 nan 8.210 nan 0.000 0.409 195 Y N 0.633 120.998 120.300 0.109 0.000 2.242 195 Y HA -0.218 4.365 4.550 0.054 0.000 0.291 195 Y C 2.724 178.700 175.900 0.126 0.000 1.137 195 Y CA 1.619 59.794 58.100 0.124 0.000 1.181 195 Y CB -1.077 37.458 38.460 0.125 0.000 0.989 195 Y HN 0.142 nan 8.280 nan 0.000 0.527 196 T N 0.124 114.811 114.554 0.222 0.000 2.674 196 T HA -0.221 4.162 4.350 0.055 0.000 0.265 196 T C 2.289 177.092 174.700 0.172 0.000 1.039 196 T CA 1.396 63.607 62.100 0.185 0.000 1.150 196 T CB -0.684 68.270 68.868 0.144 0.000 0.864 196 T HN 0.467 nan 8.240 nan 0.000 0.427 197 A N 1.216 124.098 122.820 0.104 0.000 1.908 197 A HA -0.034 4.319 4.320 0.055 0.000 0.218 197 A C 2.349 179.974 177.584 0.069 0.000 1.181 197 A CA 1.314 53.389 52.037 0.065 0.000 0.627 197 A CB -0.970 18.038 19.000 0.014 0.000 0.818 197 A HN 0.466 nan 8.150 nan 0.000 0.445 198 L N -2.380 118.894 121.223 0.085 0.000 2.017 198 L HA -0.215 4.159 4.340 0.055 0.000 0.208 198 L C 2.615 179.562 176.870 0.128 0.000 1.073 198 L CA 2.064 56.956 54.840 0.087 0.000 0.745 198 L CB -0.590 41.536 42.059 0.113 0.000 0.894 198 L HN 0.626 nan 8.230 nan 0.000 0.432 199 Y N 0.443 120.788 120.300 0.075 0.000 2.130 199 Y HA -0.137 4.418 4.550 0.009 0.000 0.287 199 Y C 2.387 178.317 175.900 0.051 0.000 1.124 199 Y CA 1.647 59.791 58.100 0.073 0.000 1.118 199 Y CB -0.682 37.835 38.460 0.095 0.000 0.994 199 Y HN 0.065 nan 8.280 nan 0.000 0.497 200 G N -0.742 108.205 108.800 0.246 0.000 2.469 200 G HA2 -0.350 3.643 3.960 0.055 0.000 0.219 200 G HA3 -0.350 3.643 3.960 0.055 0.000 0.219 200 G C 1.775 176.677 174.900 0.004 0.000 1.150 200 G CA 1.446 46.623 45.100 0.129 0.000 0.763 200 G HN 0.533 nan 8.290 nan 0.000 0.561 201 S N -0.395 115.304 115.700 -0.001 0.000 2.515 201 S HA 0.306 4.809 4.470 0.055 0.000 0.231 201 S C 1.994 176.556 174.600 -0.063 0.000 0.987 201 S CA 1.059 59.241 58.200 -0.030 0.000 0.936 201 S CB -0.207 62.974 63.200 -0.032 0.000 0.766 201 S HN 1.670 nan 8.310 nan 0.000 0.528 202 G N 1.292 110.031 108.800 -0.101 0.000 2.175 202 G HA2 -0.287 3.707 3.960 0.055 0.000 0.244 202 G HA3 -0.287 3.707 3.960 0.055 0.000 0.244 202 G C 0.818 175.665 174.900 -0.089 0.000 0.982 202 G CA 0.428 45.452 45.100 -0.127 0.000 0.641 202 G HN 0.544 nan 8.290 nan 0.000 0.527 203 K N -0.604 119.757 120.400 -0.064 0.000 2.155 203 K HA 0.190 4.543 4.320 0.055 0.000 0.203 203 K C 2.412 178.998 176.600 -0.024 0.000 1.052 203 K CA 1.232 57.489 56.287 -0.050 0.000 0.948 203 K CB -0.101 32.363 32.500 -0.060 0.000 0.728 203 K HN 0.351 nan 8.250 nan 0.000 0.448 204 L N 1.695 122.918 121.223 0.001 0.000 1.988 204 L HA -0.208 4.166 4.340 0.055 0.000 0.207 204 L C 1.908 178.800 176.870 0.037 0.000 1.071 204 L CA 1.853 56.726 54.840 0.054 0.000 0.744 204 L CB -0.537 41.605 42.059 0.138 0.000 0.893 204 L HN 0.031 nan 8.230 nan 0.000 0.433 205 Q N -0.039 119.754 119.800 -0.013 0.000 2.077 205 Q HA -0.276 4.097 4.340 0.055 0.000 0.206 205 Q C 2.193 178.197 176.000 0.007 0.000 0.989 205 Q CA 2.197 57.992 55.803 -0.015 0.000 0.853 205 Q CB -0.595 28.095 28.738 -0.080 0.000 0.907 205 Q HN 0.718 nan 8.270 nan 0.000 0.418 206 E N 0.193 120.389 120.200 -0.007 0.000 2.077 206 E HA -0.185 4.198 4.350 0.055 0.000 0.193 206 E C 1.817 178.448 176.600 0.052 0.000 0.989 206 E CA 0.888 57.294 56.400 0.010 0.000 0.800 206 E CB -0.111 29.581 29.700 -0.013 0.000 0.746 206 E HN 0.363 nan 8.360 nan 0.000 0.452 207 L N 0.310 121.563 121.223 0.049 0.000 2.056 207 L HA -0.162 4.211 4.340 0.055 0.000 0.207 207 L C 2.557 179.554 176.870 0.212 0.000 1.078 207 L CA 0.673 55.580 54.840 0.111 0.000 0.749 207 L CB -0.233 41.832 42.059 0.011 0.000 0.901 207 L HN 0.093 nan 8.230 nan 0.000 0.433 208 V N 0.550 120.542 119.914 0.129 0.000 2.295 208 V HA -0.279 3.874 4.120 0.055 0.000 0.246 208 V C 2.473 178.616 176.094 0.081 0.000 1.049 208 V CA 2.131 64.496 62.300 0.108 0.000 1.024 208 V CB -0.744 31.128 31.823 0.081 0.000 0.648 208 V HN 0.660 nan 8.190 nan 0.000 0.447 209 E N 0.174 120.414 120.200 0.067 0.000 2.338 209 E HA -0.244 4.140 4.350 0.055 0.000 0.197 209 E C 1.838 178.466 176.600 0.048 0.000 1.007 209 E CA 1.122 57.549 56.400 0.044 0.000 0.849 209 E CB -0.243 29.476 29.700 0.031 0.000 0.774 209 E HN 0.676 nan 8.360 nan 0.000 0.506 210 Q N -0.057 119.801 119.800 0.096 0.000 2.403 210 Q HA 0.111 4.484 4.340 0.055 0.000 0.203 210 Q C 0.788 176.786 176.000 -0.003 0.000 0.932 210 Q CA 0.452 56.314 55.803 0.098 0.000 0.945 210 Q CB 0.796 29.680 28.738 0.243 0.000 1.045 210 Q HN 0.588 nan 8.270 nan 0.000 0.511 211 G N 0.244 109.042 108.800 -0.004 0.000 2.176 211 G HA2 -0.267 3.726 3.960 0.055 0.000 0.232 211 G HA3 -0.267 3.726 3.960 0.055 0.000 0.232 211 G C -0.367 174.431 174.900 -0.170 0.000 0.986 211 G CA -0.479 44.557 45.100 -0.108 0.000 0.643 211 G HN 0.294 nan 8.290 nan 0.000 0.522 212 Y N 0.179 120.490 120.300 0.019 0.000 2.442 212 Y HA 0.501 5.083 4.550 0.053 0.000 0.330 212 Y C 1.672 177.579 175.900 0.011 0.000 1.129 212 Y CA 0.705 58.830 58.100 0.041 0.000 1.365 212 Y CB 0.959 39.455 38.460 0.060 0.000 1.233 212 Y HN 0.169 nan 8.280 nan 0.000 0.529 213 R N 1.711 122.272 120.500 0.102 0.000 2.164 213 R HA 0.176 4.549 4.340 0.055 0.000 0.198 213 R C -0.645 175.532 176.300 -0.205 0.000 1.028 213 R CA 0.305 56.337 56.100 -0.114 0.000 1.083 213 R CB 0.375 30.526 30.300 -0.248 0.000 1.026 213 R HN 0.676 nan 8.270 nan 0.000 0.514 217 V N 5.078 124.532 119.914 -0.767 0.000 2.581 217 V HA 0.934 5.087 4.120 0.055 0.000 0.303 217 V C -0.415 175.194 176.094 -0.809 0.000 1.041 217 V CA -0.072 61.835 62.300 -0.656 0.000 0.907 217 V CB 1.731 33.354 31.823 -0.334 0.000 0.994 217 V HN 1.008 nan 8.190 nan 0.000 0.442 218 S N 2.189 117.510 115.700 -0.633 0.000 2.587 218 S HA 0.479 4.982 4.470 0.055 0.000 0.269 218 S C -1.065 173.374 174.600 -0.269 0.000 1.154 218 S CA -1.156 56.774 58.200 -0.451 0.000 0.824 218 S CB 1.034 63.904 63.200 -0.550 0.000 1.118 218 S HN 0.633 nan 8.310 nan 0.000 0.462 219 N N 0.195 118.791 118.700 -0.174 0.000 2.492 219 N HA 0.388 5.161 4.740 0.055 0.000 0.260 219 N C 1.513 176.921 175.510 -0.170 0.000 1.215 219 N CA 0.386 53.348 53.050 -0.146 0.000 0.923 219 N CB 0.451 38.871 38.487 -0.112 0.000 1.092 219 N HN 0.827 nan 8.380 nan 0.000 0.448 220 G N 0.984 109.677 108.800 -0.179 0.000 2.448 220 G HA2 -0.256 3.737 3.960 0.055 0.000 0.219 220 G HA3 -0.256 3.737 3.960 0.055 0.000 0.219 220 G C 0.748 175.427 174.900 -0.369 0.000 1.127 220 G CA 0.745 45.733 45.100 -0.187 0.000 0.766 220 G HN 0.796 nan 8.290 nan 0.000 0.552 221 D N -0.822 119.268 120.400 -0.518 0.000 2.319 221 D HA -0.023 4.650 4.640 0.055 0.000 0.230 221 D C 0.567 176.594 176.300 -0.455 0.000 1.094 221 D CA -0.471 52.965 54.000 -0.941 0.000 0.856 221 D CB -0.722 39.591 40.800 -0.812 0.000 0.915 221 D HN 0.398 nan 8.370 nan 0.000 0.517 222 N N 0.980 119.547 118.700 -0.223 0.000 2.699 222 N HA 0.133 4.907 4.740 0.055 0.000 0.232 222 N C 0.637 176.145 175.510 -0.005 0.000 1.027 222 N CA -0.378 52.609 53.050 -0.105 0.000 0.920 222 N CB 0.492 38.930 38.487 -0.082 0.000 1.148 222 N HN 0.001 nan 8.380 nan 0.000 0.509 223 L N 2.220 123.477 121.223 0.057 0.000 2.362 223 L HA 0.000 4.373 4.340 0.055 0.000 0.219 223 L C 2.221 179.100 176.870 0.015 0.000 1.134 223 L CA 0.903 55.776 54.840 0.055 0.000 0.807 223 L CB -0.059 41.996 42.059 -0.006 0.000 0.927 223 L HN 0.621 nan 8.230 nan 0.000 0.447 224 G N -0.502 108.313 108.800 0.024 0.000 2.813 224 G HA2 0.091 4.084 3.960 0.055 0.000 0.209 224 G HA3 0.091 4.084 3.960 0.055 0.000 0.209 224 G C 0.764 175.736 174.900 0.120 0.000 1.150 224 G CA 0.364 45.500 45.100 0.061 0.000 0.785 224 G HN 0.341 nan 8.290 nan 0.000 0.535 225 A N 1.538 124.442 122.820 0.140 0.000 2.923 225 A HA 0.591 4.944 4.320 0.055 0.000 0.306 225 A C 0.717 178.508 177.584 0.345 0.000 1.542 225 A CA 0.005 52.202 52.037 0.265 0.000 1.225 225 A CB -0.544 18.552 19.000 0.161 0.000 1.147 225 A HN 0.324 nan 8.150 nan 0.000 0.542 226 T N -0.972 113.756 114.554 0.290 0.000 2.940 226 T HA 0.632 5.016 4.350 0.055 0.000 0.288 226 T C 0.051 174.808 174.700 0.095 0.000 1.045 226 T CA -0.932 61.307 62.100 0.230 0.000 1.018 226 T CB 0.759 69.692 68.868 0.108 0.000 1.151 226 T HN 0.191 nan 8.240 nan 0.000 0.529 227 I N 2.522 123.134 120.570 0.070 0.000 2.581 227 I HA 0.154 4.357 4.170 0.055 0.000 0.285 227 I C 0.216 176.349 176.117 0.027 0.000 1.129 227 I CA 0.426 61.730 61.300 0.007 0.000 1.397 227 I CB -0.125 37.933 38.000 0.096 0.000 1.399 227 I HN 0.763 nan 8.210 nan 0.000 0.537 228 D N 7.111 127.525 120.400 0.023 0.000 2.440 228 D HA 0.160 4.833 4.640 0.055 0.000 0.239 228 D C 0.866 177.071 176.300 -0.159 0.000 1.084 228 D CA -0.480 53.475 54.000 -0.075 0.000 0.843 228 D CB 1.191 41.922 40.800 -0.115 0.000 1.097 228 D HN 0.389 nan 8.370 nan 0.000 0.531 229 K N 2.109 122.448 120.400 -0.101 0.000 2.281 229 K HA -0.110 4.243 4.320 0.055 0.000 0.203 229 K C 1.710 178.203 176.600 -0.178 0.000 1.046 229 K CA 0.823 57.040 56.287 -0.117 0.000 0.938 229 K CB 0.421 32.888 32.500 -0.054 0.000 0.737 229 K HN 0.319 nan 8.250 nan 0.000 0.458 230 R N 0.278 120.663 120.500 -0.191 0.000 2.092 230 R HA -0.068 4.305 4.340 0.055 0.000 0.231 230 R C 2.242 178.372 176.300 -0.283 0.000 1.119 230 R CA 0.883 56.865 56.100 -0.197 0.000 0.970 230 R CB -0.231 29.962 30.300 -0.179 0.000 0.864 230 R HN -0.016 nan 8.270 nan 0.000 0.440 231 V N 1.451 121.086 119.914 -0.465 0.000 2.343 231 V HA -0.231 3.922 4.120 0.055 0.000 0.247 231 V C 2.227 177.919 176.094 -0.669 0.000 1.051 231 V CA 1.648 63.525 62.300 -0.704 0.000 1.036 231 V CB -0.374 30.627 31.823 -1.370 0.000 0.654 231 V HN 0.287 nan 8.190 nan 0.000 0.451 232 L N -0.031 120.793 121.223 -0.665 0.000 2.093 232 L HA -0.124 4.249 4.340 0.055 0.000 0.208 232 L C 2.691 179.344 176.870 -0.362 0.000 1.085 232 L CA 1.445 55.933 54.840 -0.586 0.000 0.755 232 L CB -0.753 41.038 42.059 -0.447 0.000 0.904 232 L HN 0.354 nan 8.230 nan 0.000 0.435 233 A N -0.730 121.952 122.820 -0.230 0.000 1.898 233 A HA -0.194 4.159 4.320 0.055 0.000 0.216 233 A C 1.309 178.848 177.584 -0.075 0.000 1.181 233 A CA 0.628 52.593 52.037 -0.120 0.000 0.620 233 A CB -0.628 18.322 19.000 -0.083 0.000 0.819 233 A HN 0.321 nan 8.150 nan 0.000 0.442 237 K N 1.237 121.582 120.400 -0.092 0.000 2.025 237 K HA -0.067 4.286 4.320 0.055 0.000 0.207 237 K C 1.345 177.857 176.600 -0.146 0.000 1.049 237 K CA 1.319 57.545 56.287 -0.101 0.000 0.933 237 K CB 0.270 32.715 32.500 -0.092 0.000 0.714 237 K HN -0.124 nan 8.250 nan 0.000 0.438 238 E N 0.922 120.962 120.200 -0.267 0.000 2.478 238 E HA -0.013 4.370 4.350 0.055 0.000 0.194 238 E C -0.452 176.051 176.600 -0.161 0.000 1.045 238 E CA 0.278 56.514 56.400 -0.274 0.000 0.868 238 E CB 0.288 29.674 29.700 -0.524 0.000 0.885 238 E HN 0.256 nan 8.360 nan 0.000 0.505 239 K N 0.706 121.041 120.400 -0.109 0.000 3.393 239 K HA -0.178 4.175 4.320 0.055 0.000 0.272 239 K C -0.311 176.274 176.600 -0.025 0.000 1.004 239 K CA 0.340 56.605 56.287 -0.037 0.000 0.764 239 K CB -2.057 30.428 32.500 -0.025 0.000 1.373 239 K HN 0.188 nan 8.250 nan 0.000 0.458 240 I N 0.854 121.407 120.570 -0.029 0.000 2.385 240 I HA 0.086 4.290 4.170 0.055 0.000 0.294 240 I C 1.119 177.277 176.117 0.069 0.000 0.988 240 I CA -0.419 60.885 61.300 0.005 0.000 1.265 240 I CB 1.147 39.122 38.000 -0.042 0.000 1.388 240 I HN 0.126 nan 8.210 nan 0.000 0.480 241 D N 4.670 125.108 120.400 0.064 0.000 2.392 241 D HA 0.120 4.793 4.640 0.055 0.000 0.206 241 D C -0.430 175.835 176.300 -0.058 0.000 1.046 241 D CA 0.880 54.886 54.000 0.010 0.000 0.865 241 D CB 0.781 41.590 40.800 0.015 0.000 0.969 241 D HN 0.308 nan 8.370 nan 0.000 0.509 242 F N 1.011 120.869 119.950 -0.153 0.000 2.605 242 F HA 0.382 4.941 4.527 0.054 0.000 0.320 242 F C -1.701 174.118 175.800 0.033 0.000 1.159 242 F CA -1.012 56.898 58.000 -0.151 0.000 0.999 242 F CB 1.466 40.239 39.000 -0.379 0.000 1.258 242 F HN -0.285 nan 8.300 nan 0.000 0.464 246 V N -1.627 118.183 119.914 -0.174 0.000 3.001 246 V HA 0.844 4.997 4.120 0.055 0.000 0.314 246 V C -0.368 175.513 176.094 -0.354 0.000 1.099 246 V CA -0.599 61.518 62.300 -0.305 0.000 0.989 246 V CB 1.804 33.474 31.823 -0.254 0.000 1.040 246 V HN 0.860 nan 8.190 nan 0.000 0.434 247 C N 1.418 120.348 119.300 -0.618 0.000 2.719 247 C HA 0.674 5.167 4.460 0.055 0.000 0.327 247 C C 0.317 175.260 174.990 -0.078 0.000 1.238 247 C CA -0.638 58.136 59.018 -0.406 0.000 1.727 247 C CB 1.698 29.088 27.740 -0.583 0.000 2.256 247 C HN 1.067 nan 8.230 nan 0.000 0.489 248 R N 1.032 121.615 120.500 0.140 0.000 2.389 248 R HA 0.258 4.631 4.340 0.055 0.000 0.295 248 R C -0.034 176.395 176.300 0.215 0.000 1.075 248 R CA 0.031 56.223 56.100 0.154 0.000 1.005 248 R CB 0.410 30.768 30.300 0.096 0.000 0.987 248 R HN 0.662 nan 8.270 nan 0.000 0.452 249 R N 1.632 122.243 120.500 0.184 0.000 2.442 249 R HA 0.068 4.441 4.340 0.055 0.000 0.291 249 R C 0.289 176.654 176.300 0.108 0.000 1.069 249 R CA 0.138 56.385 56.100 0.245 0.000 1.022 249 R CB 0.882 31.269 30.300 0.144 0.000 0.976 249 R HN 0.656 nan 8.270 nan 0.000 0.443 250 T N -1.751 112.869 114.554 0.109 0.000 2.938 250 T HA 0.177 4.560 4.350 0.055 0.000 0.285 250 T C 1.041 175.762 174.700 0.036 0.000 1.028 250 T CA -1.031 61.110 62.100 0.068 0.000 1.005 250 T CB 1.459 70.382 68.868 0.092 0.000 1.157 250 T HN 0.394 nan 8.240 nan 0.000 0.550 251 E N 0.493 120.712 120.200 0.031 0.000 2.187 251 E HA -0.143 4.240 4.350 0.055 0.000 0.199 251 E C 2.063 178.679 176.600 0.026 0.000 1.004 251 E CA 1.543 57.958 56.400 0.025 0.000 0.813 251 E CB -0.534 29.182 29.700 0.026 0.000 0.736 251 E HN 0.707 nan 8.360 nan 0.000 0.468 252 S N 0.403 116.119 115.700 0.026 0.000 2.481 252 S HA -0.089 4.414 4.470 0.055 0.000 0.231 252 S C 1.065 175.659 174.600 -0.010 0.000 0.996 252 S CA 0.674 58.886 58.200 0.020 0.000 0.942 252 S CB 0.131 63.350 63.200 0.033 0.000 0.768 252 S HN 0.118 nan 8.310 nan 0.000 0.520 253 D N 1.315 121.691 120.400 -0.039 0.000 2.360 253 D HA 0.024 4.697 4.640 0.055 0.000 0.210 253 D C 1.492 177.769 176.300 -0.038 0.000 1.047 253 D CA 0.245 54.172 54.000 -0.122 0.000 0.854 253 D CB -0.068 40.568 40.800 -0.272 0.000 0.936 253 D HN 0.702 nan 8.370 nan 0.000 0.514 254 K N 1.966 122.375 120.400 0.016 0.000 2.589 254 K HA -0.145 4.208 4.320 0.055 0.000 0.195 254 K C 1.533 178.235 176.600 0.170 0.000 1.040 254 K CA 0.958 57.284 56.287 0.066 0.000 0.950 254 K CB -0.142 32.398 32.500 0.065 0.000 0.781 254 K HN 0.147 nan 8.250 nan 0.000 0.486 255 K N -0.206 120.283 120.400 0.149 0.000 2.350 255 K HA 0.135 4.489 4.320 0.055 0.000 0.196 255 K C 0.999 177.772 176.600 0.288 0.000 1.084 255 K CA 0.124 56.535 56.287 0.205 0.000 0.967 255 K CB 0.174 32.732 32.500 0.096 0.000 0.950 255 K HN 0.101 nan 8.250 nan 0.000 0.512 256 G N 1.203 110.100 108.800 0.161 0.000 2.599 256 G HA2 0.409 4.403 3.960 0.055 0.000 0.264 256 G HA3 0.409 4.403 3.960 0.055 0.000 0.264 256 G C 0.085 175.132 174.900 0.245 0.000 1.200 256 G CA -0.296 44.886 45.100 0.137 0.000 0.896 256 G HN 0.294 nan 8.290 nan 0.000 0.536 257 G N -1.202 107.731 108.800 0.223 0.000 2.631 257 G HA2 0.509 4.502 3.960 0.055 0.000 0.271 257 G HA3 0.509 4.502 3.960 0.055 0.000 0.271 257 G C -0.231 174.682 174.900 0.021 0.000 1.302 257 G CA 0.351 45.549 45.100 0.162 0.000 1.002 257 G HN 1.248 nan 8.290 nan 0.000 0.519 258 H N -2.837 116.204 119.070 -0.048 0.000 2.981 258 H HA 0.586 5.176 4.556 0.056 0.000 0.327 258 H C -1.259 174.080 175.328 0.019 0.000 1.342 258 H CA -1.233 54.802 56.048 -0.022 0.000 1.123 258 H CB 1.024 30.684 29.762 -0.170 0.000 1.851 258 H HN 0.572 nan 8.280 nan 0.000 0.531 259 L N 1.107 122.531 121.223 0.335 0.000 2.395 259 L HA 0.801 5.175 4.340 0.055 0.000 0.269 259 L C -0.338 176.749 176.870 0.362 0.000 1.133 259 L CA 0.445 55.447 54.840 0.271 0.000 0.812 259 L CB 0.503 42.720 42.059 0.263 0.000 1.125 259 L HN 1.089 nan 8.230 nan 0.000 0.452 260 A N 4.778 127.736 122.820 0.231 0.000 2.609 260 A HA 0.727 5.080 4.320 0.055 0.000 0.291 260 A C -1.110 176.575 177.584 0.168 0.000 1.096 260 A CA -0.811 51.369 52.037 0.238 0.000 0.684 260 A CB 1.229 20.331 19.000 0.171 0.000 1.282 260 A HN 0.700 nan 8.150 nan 0.000 0.412 261 R N 0.271 120.874 120.500 0.171 0.000 2.668 261 R HA 0.669 5.042 4.340 0.055 0.000 0.279 261 R C -0.918 175.442 176.300 0.101 0.000 0.976 261 R CA -0.320 55.853 56.100 0.123 0.000 0.978 261 R CB 1.579 31.951 30.300 0.120 0.000 1.133 261 R HN 0.849 nan 8.270 nan 0.000 0.484 262 Q N 1.058 120.902 119.800 0.075 0.000 2.340 262 Q HA 0.301 4.674 4.340 0.055 0.000 0.276 262 Q C -1.716 174.316 176.000 0.053 0.000 1.048 262 Q CA -0.594 55.246 55.803 0.061 0.000 0.832 262 Q CB 2.684 31.450 28.738 0.046 0.000 1.373 262 Q HN 0.558 nan 8.270 nan 0.000 0.409 263 T N 2.500 117.086 114.554 0.053 0.000 2.779 263 T HA 0.554 4.937 4.350 0.055 0.000 0.280 263 T C -0.504 174.232 174.700 0.059 0.000 0.987 263 T CA -0.476 61.656 62.100 0.054 0.000 0.966 263 T CB 0.971 69.873 68.868 0.056 0.000 0.933 263 T HN 0.451 nan 8.240 nan 0.000 0.442 264 V N 1.754 121.704 119.914 0.060 0.000 3.019 264 V HA 0.796 4.949 4.120 0.055 0.000 0.317 264 V C -1.471 174.696 176.094 0.121 0.000 1.094 264 V CA -1.225 61.121 62.300 0.076 0.000 1.000 264 V CB 1.929 33.775 31.823 0.039 0.000 1.060 264 V HN 0.827 nan 8.190 nan 0.000 0.443 265 Y N 1.725 122.024 120.300 -0.003 0.000 2.327 265 Y HA 0.758 5.342 4.550 0.057 0.000 0.325 265 Y C -1.043 174.853 175.900 -0.007 0.000 0.999 265 Y CA -0.701 57.397 58.100 -0.003 0.000 1.195 265 Y CB 1.794 40.253 38.460 -0.002 0.000 1.132 265 Y HN 0.673 nan 8.280 nan 0.000 0.455 266 V N 7.504 127.211 119.914 -0.345 0.000 2.435 266 V HA 0.280 4.433 4.120 0.055 0.000 0.290 266 V C 0.880 176.767 176.094 -0.345 0.000 1.030 266 V CA -0.785 61.379 62.300 -0.228 0.000 0.881 266 V CB 1.577 33.313 31.823 -0.144 0.000 0.983 266 V HN 0.927 nan 8.190 nan 0.000 0.445 267 K N 3.603 123.920 120.400 -0.137 0.000 1.964 267 K HA 0.106 4.460 4.320 0.055 0.000 0.218 267 K C 0.898 177.438 176.600 -0.101 0.000 1.043 267 K CA 1.423 57.661 56.287 -0.082 0.000 0.966 267 K CB -0.498 32.013 32.500 0.018 0.000 0.739 267 K HN 1.298 nan 8.250 nan 0.000 0.443 268 G N 1.984 110.744 108.800 -0.067 0.000 3.273 268 G HA2 -0.201 3.792 3.960 0.055 0.000 0.325 268 G HA3 -0.201 3.792 3.960 0.055 0.000 0.325 268 G C -1.013 173.859 174.900 -0.046 0.000 0.960 268 G CA 0.291 45.352 45.100 -0.064 0.000 0.808 268 G HN 0.376 nan 8.290 nan 0.000 0.387 269 K N 2.506 122.886 120.400 -0.033 0.000 2.274 269 K HA 0.570 4.924 4.320 0.055 0.000 0.262 269 K C 0.428 177.013 176.600 -0.024 0.000 0.961 269 K CA -0.310 55.964 56.287 -0.023 0.000 0.833 269 K CB 0.790 33.282 32.500 -0.013 0.000 1.102 269 K HN 0.529 nan 8.250 nan 0.000 0.436 270 D N 3.519 123.906 120.400 -0.021 0.000 3.082 270 D HA -0.179 4.494 4.640 0.055 0.000 0.234 270 D C 0.296 176.581 176.300 -0.026 0.000 1.159 270 D CA 1.566 55.554 54.000 -0.020 0.000 0.875 270 D CB -0.839 39.951 40.800 -0.016 0.000 0.946 270 D HN 0.866 nan 8.370 nan 0.000 0.411 271 G N 0.885 109.667 108.800 -0.030 0.000 4.399 271 G HA2 0.027 4.021 3.960 0.055 0.000 0.159 271 G HA3 0.027 4.021 3.960 0.055 0.000 0.159 271 G C -0.507 174.371 174.900 -0.036 0.000 1.458 271 G CA 0.331 45.410 45.100 -0.035 0.000 0.942 271 G HN 0.442 nan 8.290 nan 0.000 0.306 272 Q N 1.040 120.814 119.800 -0.044 0.000 2.315 272 Q HA 0.655 5.028 4.340 0.055 0.000 0.273 272 Q C -3.030 172.937 176.000 -0.054 0.000 1.053 272 Q CA -1.994 53.781 55.803 -0.047 0.000 0.817 272 Q CB 3.192 31.898 28.738 -0.054 0.000 1.326 272 Q HN 0.327 nan 8.270 nan 0.000 0.423 273 P HA -0.001 nan 4.420 nan 0.000 0.280 273 P C -0.622 176.621 177.300 -0.094 0.000 1.278 273 P CA -0.141 62.927 63.100 -0.053 0.000 0.787 273 P CB 0.408 32.086 31.700 -0.036 0.000 1.163 274 D N -1.042 119.292 120.400 -0.109 0.000 2.364 274 D HA 0.390 5.063 4.640 0.055 0.000 0.236 274 D C 0.091 176.226 176.300 -0.276 0.000 1.221 274 D CA 0.675 54.528 54.000 -0.245 0.000 0.891 274 D CB -0.020 40.662 40.800 -0.197 0.000 1.190 274 D HN 0.574 nan 8.370 nan 0.000 0.449 275 A N 0.295 122.831 122.820 -0.475 0.000 2.605 275 A HA 0.488 4.842 4.320 0.055 0.000 0.294 275 A C -1.270 176.129 177.584 -0.310 0.000 1.062 275 A CA -0.729 51.131 52.037 -0.294 0.000 0.682 275 A CB 1.483 20.375 19.000 -0.180 0.000 1.278 275 A HN 0.491 nan 8.150 nan 0.000 0.410 276 E N 1.473 121.618 120.200 -0.091 0.000 2.186 276 E HA 0.489 4.873 4.350 0.055 0.000 0.255 276 E C -0.972 175.637 176.600 0.015 0.000 0.881 276 E CA -0.372 56.043 56.400 0.025 0.000 0.752 276 E CB 0.630 30.406 29.700 0.127 0.000 1.176 276 E HN 0.520 nan 8.360 nan 0.000 0.421 277 K N 2.774 123.180 120.400 0.010 0.000 2.208 277 K HA 0.437 4.790 4.320 0.055 0.000 0.247 277 K C -0.463 176.153 176.600 0.028 0.000 0.953 277 K CA -1.024 55.270 56.287 0.012 0.000 0.837 277 K CB 2.075 34.571 32.500 -0.006 0.000 1.131 277 K HN 0.300 nan 8.250 nan 0.000 0.431 278 R N 2.146 122.664 120.500 0.030 0.000 2.246 278 R HA 0.264 4.637 4.340 0.055 0.000 0.332 278 R C -0.424 175.898 176.300 0.037 0.000 0.974 278 R CA -0.521 55.602 56.100 0.038 0.000 0.837 278 R CB 0.672 30.998 30.300 0.042 0.000 1.145 278 R HN 0.523 nan 8.270 nan 0.000 0.467 279 V N 1.876 121.812 119.914 0.035 0.000 3.193 279 V HA 0.660 4.814 4.120 0.055 0.000 0.320 279 V C -1.034 175.087 176.094 0.046 0.000 1.112 279 V CA -1.115 61.205 62.300 0.032 0.000 1.026 279 V CB 1.608 33.437 31.823 0.010 0.000 1.128 279 V HN 0.544 nan 8.190 nan 0.000 0.452 280 L N 1.999 123.249 121.223 0.045 0.000 2.346 280 L HA 0.835 5.208 4.340 0.055 0.000 0.274 280 L C -0.450 176.445 176.870 0.041 0.000 1.007 280 L CA -0.257 54.620 54.840 0.061 0.000 0.818 280 L CB 1.402 43.509 42.059 0.080 0.000 1.284 280 L HN 1.005 nan 8.230 nan 0.000 0.424 281 L N 1.308 122.562 121.223 0.051 0.000 2.510 281 L HA 0.745 5.118 4.340 0.055 0.000 0.252 281 L C -2.020 174.871 176.870 0.034 0.000 1.091 281 L CA -1.018 53.838 54.840 0.027 0.000 0.888 281 L CB 2.113 44.176 42.059 0.007 0.000 1.507 281 L HN 0.441 nan 8.230 nan 0.000 0.407 282 L N 1.352 122.582 121.223 0.010 0.000 2.346 282 L HA 0.663 5.036 4.340 0.055 0.000 0.274 282 L C -0.584 176.240 176.870 -0.077 0.000 1.007 282 L CA -0.186 54.646 54.840 -0.013 0.000 0.818 282 L CB 1.770 43.851 42.059 0.037 0.000 1.284 282 L HN 0.737 nan 8.230 nan 0.000 0.424 283 R N 3.054 123.431 120.500 -0.206 0.000 2.483 283 R HA 0.431 4.805 4.340 0.055 0.000 0.303 283 R C -1.024 175.257 176.300 -0.032 0.000 0.987 283 R CA -0.555 55.441 56.100 -0.174 0.000 0.881 283 R CB 1.183 31.315 30.300 -0.280 0.000 1.177 283 R HN 0.581 nan 8.270 nan 0.000 0.451 284 E N 1.192 121.421 120.200 0.048 0.000 2.322 284 E HA 0.079 4.462 4.350 0.055 0.000 0.257 284 E C 0.835 177.410 176.600 -0.042 0.000 1.155 284 E CA 0.016 56.480 56.400 0.106 0.000 0.936 284 E CB 1.264 30.985 29.700 0.035 0.000 1.130 284 E HN 0.744 nan 8.360 nan 0.000 0.465 285 S N 0.115 115.672 115.700 -0.238 0.000 2.368 285 S HA -0.167 4.336 4.470 0.055 0.000 0.224 285 S C 1.990 176.352 174.600 -0.398 0.000 1.029 285 S CA 1.049 58.810 58.200 -0.731 0.000 0.988 285 S CB -0.458 62.460 63.200 -0.470 0.000 0.838 285 S HN 0.566 nan 8.310 nan 0.000 0.462 286 A N 2.460 125.157 122.820 -0.205 0.000 1.869 286 A HA -0.247 4.106 4.320 0.055 0.000 0.218 286 A C 2.264 179.767 177.584 -0.135 0.000 1.203 286 A CA 1.955 53.909 52.037 -0.139 0.000 0.638 286 A CB -1.151 17.797 19.000 -0.087 0.000 0.831 286 A HN 0.739 nan 8.150 nan 0.000 0.450 287 Q N -1.721 118.008 119.800 -0.117 0.000 2.515 287 Q HA 0.061 4.434 4.340 0.055 0.000 0.212 287 Q C 0.374 176.320 176.000 -0.091 0.000 0.970 287 Q CA 0.081 55.831 55.803 -0.088 0.000 0.941 287 Q CB -0.462 28.241 28.738 -0.059 0.000 0.998 287 Q HN 0.565 nan 8.270 nan 0.000 0.518 288 C N 3.052 122.256 119.300 -0.159 0.000 2.281 288 C HA 0.453 4.946 4.460 0.055 0.000 0.325 288 C C -2.200 172.724 174.990 -0.111 0.000 1.282 288 C CA -2.449 56.490 59.018 -0.132 0.000 1.640 288 C CB 0.401 27.991 27.740 -0.250 0.000 2.288 288 C HN 0.273 nan 8.230 nan 0.000 0.507 289 P HA 0.158 nan 4.420 nan 0.000 0.276 289 P C 0.344 177.629 177.300 -0.025 0.000 1.235 289 P CA -0.017 63.062 63.100 -0.034 0.000 0.772 289 P CB 0.696 32.389 31.700 -0.011 0.000 0.871 290 K N 2.097 122.479 120.400 -0.030 0.000 2.366 290 K HA -0.193 4.160 4.320 0.055 0.000 0.202 290 K C 1.568 178.172 176.600 0.006 0.000 1.045 290 K CA 1.639 57.915 56.287 -0.019 0.000 0.934 290 K CB -0.864 31.625 32.500 -0.019 0.000 0.746 290 K HN 0.353 nan 8.250 nan 0.000 0.470 291 A N 1.476 124.303 122.820 0.012 0.000 1.968 291 A HA -0.063 4.290 4.320 0.055 0.000 0.217 291 A C 0.648 178.259 177.584 0.045 0.000 1.169 291 A CA 1.070 53.121 52.037 0.024 0.000 0.638 291 A CB -0.051 18.961 19.000 0.021 0.000 0.812 291 A HN 0.362 nan 8.150 nan 0.000 0.446 295 S N 0.019 115.821 115.700 0.171 0.000 2.382 295 S HA -0.115 4.388 4.470 0.055 0.000 0.228 295 S C 1.600 176.383 174.600 0.306 0.000 1.027 295 S CA 1.485 59.806 58.200 0.201 0.000 0.991 295 S CB -0.429 62.903 63.200 0.220 0.000 0.823 295 S HN 0.407 nan 8.310 nan 0.000 0.469 296 F N 1.877 121.933 119.950 0.176 0.000 2.250 296 F HA -0.090 4.470 4.527 0.055 0.000 0.301 296 F C 2.215 178.120 175.800 0.176 0.000 1.077 296 F CA 1.612 59.728 58.000 0.193 0.000 1.348 296 F CB -0.102 38.978 39.000 0.133 0.000 1.040 296 F HN 0.322 nan 8.300 nan 0.000 0.509 297 Q N -0.847 119.131 119.800 0.297 0.000 2.392 297 Q HA -0.050 4.324 4.340 0.055 0.000 0.203 297 Q C 0.174 176.212 176.000 0.064 0.000 0.917 297 Q CA 0.117 56.024 55.803 0.174 0.000 0.939 297 Q CB -0.040 28.810 28.738 0.185 0.000 1.063 297 Q HN 0.189 nan 8.270 nan 0.000 0.516 298 D N 1.979 122.409 120.400 0.048 0.000 2.541 298 D HA -0.041 4.632 4.640 0.055 0.000 0.231 298 D C 1.109 177.360 176.300 -0.082 0.000 1.163 298 D CA -0.185 53.803 54.000 -0.021 0.000 1.077 298 D CB -0.100 40.673 40.800 -0.045 0.000 1.110 298 D HN 0.368 nan 8.370 nan 0.000 0.499 299 I N -0.456 120.076 120.570 -0.064 0.000 2.908 299 I HA -0.198 4.005 4.170 0.055 0.000 0.271 299 I C 0.935 176.965 176.117 -0.145 0.000 1.275 299 I CA 0.785 62.030 61.300 -0.091 0.000 1.446 299 I CB -0.164 37.808 38.000 -0.048 0.000 1.092 299 I HN 0.075 nan 8.210 nan 0.000 0.482 300 N N 1.333 119.943 118.700 -0.149 0.000 2.392 300 N HA -0.023 4.750 4.740 0.055 0.000 0.177 300 N C 1.585 176.950 175.510 -0.242 0.000 1.066 300 N CA 0.482 53.429 53.050 -0.172 0.000 0.895 300 N CB 0.265 38.679 38.487 -0.121 0.000 0.988 300 N HN 0.555 nan 8.380 nan 0.000 0.457 301 K N 0.074 120.283 120.400 -0.318 0.000 2.108 301 K HA 0.030 4.383 4.320 0.055 0.000 0.204 301 K C -0.193 176.006 176.600 -0.667 0.000 1.036 301 K CA 0.589 56.564 56.287 -0.520 0.000 0.965 301 K CB 0.198 32.293 32.500 -0.675 0.000 0.804 301 K HN 0.003 nan 8.250 nan 0.000 0.454 302 Y N 1.520 121.626 120.300 -0.323 0.000 2.717 302 Y HA 0.126 4.709 4.550 0.056 0.000 0.329 302 Y C 0.450 176.139 175.900 -0.352 0.000 1.017 302 Y CA -0.822 57.020 58.100 -0.430 0.000 1.275 302 Y CB 1.243 39.103 38.460 -1.001 0.000 1.109 302 Y HN 0.119 nan 8.280 nan 0.000 0.511 303 S N 0.967 116.465 115.700 -0.337 0.000 2.597 303 S HA 0.325 4.828 4.470 0.055 0.000 0.224 303 S C -0.374 173.862 174.600 -0.607 0.000 0.955 303 S CA -0.290 57.609 58.200 -0.502 0.000 0.933 303 S CB -0.541 62.242 63.200 -0.696 0.000 0.788 303 S HN 0.369 nan 8.310 nan 0.000 0.488 304 F N 1.749 121.750 119.950 0.085 0.000 2.565 304 F HA 0.673 5.234 4.527 0.056 0.000 0.313 304 F C -0.555 175.325 175.800 0.134 0.000 1.091 304 F CA -1.671 56.360 58.000 0.052 0.000 0.915 304 F CB 1.752 40.756 39.000 0.007 0.000 1.208 304 F HN 0.201 nan 8.300 nan 0.000 0.453 305 F N 0.350 120.406 119.950 0.177 0.000 2.588 305 F HA 0.599 5.159 4.527 0.055 0.000 0.314 305 F C -0.866 174.920 175.800 -0.023 0.000 1.069 305 F CA -1.400 56.630 58.000 0.050 0.000 0.931 305 F CB 1.090 40.072 39.000 -0.031 0.000 1.260 305 F HN 0.377 nan 8.300 nan 0.000 0.465 306 N N 0.960 119.747 118.700 0.144 0.000 2.475 306 N HA 0.156 4.929 4.740 0.055 0.000 0.267 306 N C 0.816 176.311 175.510 -0.026 0.000 1.169 306 N CA 0.546 53.614 53.050 0.030 0.000 0.947 306 N CB 1.277 39.829 38.487 0.108 0.000 1.061 306 N HN 0.851 nan 8.380 nan 0.000 0.466 307 T N 0.228 114.693 114.554 -0.148 0.000 3.081 307 T HA 0.081 4.465 4.350 0.055 0.000 0.255 307 T C 0.544 175.337 174.700 0.155 0.000 1.113 307 T CA 0.022 62.066 62.100 -0.094 0.000 1.082 307 T CB -0.189 68.669 68.868 -0.017 0.000 0.939 307 T HN 0.620 nan 8.240 nan 0.000 0.506 308 N N 1.175 119.920 118.700 0.075 0.000 2.850 308 N HA -0.121 4.653 4.740 0.055 0.000 0.249 308 N C -1.452 174.046 175.510 -0.020 0.000 1.060 308 N CA 0.452 53.512 53.050 0.017 0.000 0.825 308 N CB -1.913 36.568 38.487 -0.010 0.000 1.132 308 N HN 0.469 nan 8.380 nan 0.000 0.564 309 N N 0.973 119.702 118.700 0.048 0.000 2.500 309 N HA 0.295 5.068 4.740 0.055 0.000 0.236 309 N C -0.508 175.046 175.510 0.075 0.000 1.022 309 N CA -0.162 52.926 53.050 0.063 0.000 0.935 309 N CB 0.568 39.225 38.487 0.284 0.000 1.147 309 N HN 0.126 nan 8.380 nan 0.000 0.512 310 L N 1.383 122.534 121.223 -0.120 0.000 2.334 310 L HA 0.584 4.957 4.340 0.055 0.000 0.273 310 L C -0.530 176.198 176.870 -0.235 0.000 1.013 310 L CA -0.811 53.938 54.840 -0.152 0.000 0.816 310 L CB 0.972 42.907 42.059 -0.206 0.000 1.278 310 L HN 0.423 nan 8.230 nan 0.000 0.431 311 W N 3.625 124.800 121.300 -0.208 0.000 2.554 311 W HA 0.714 5.407 4.660 0.054 0.000 0.324 311 W C -0.504 175.878 176.519 -0.227 0.000 1.018 311 W CA -0.158 57.148 57.345 -0.065 0.000 1.243 311 W CB 1.274 30.715 29.460 -0.031 0.000 1.345 311 W HN 0.176 nan 8.180 nan 0.000 0.441 312 I N 2.504 123.136 120.570 0.104 0.000 2.608 312 I HA 0.429 4.632 4.170 0.055 0.000 0.295 312 I C 0.136 176.329 176.117 0.126 0.000 1.049 312 I CA -1.466 59.854 61.300 0.034 0.000 1.063 312 I CB 2.126 40.171 38.000 0.075 0.000 1.248 312 I HN 0.259 nan 8.210 nan 0.000 0.424 313 R N 5.080 125.589 120.500 0.015 0.000 2.248 313 R HA 0.327 4.701 4.340 0.055 0.000 0.337 313 R C 0.704 176.990 176.300 -0.023 0.000 1.106 313 R CA -0.238 55.805 56.100 -0.095 0.000 0.959 313 R CB 0.373 30.591 30.300 -0.137 0.000 1.075 313 R HN 0.756 nan 8.270 nan 0.000 0.480 314 L N 5.983 127.216 121.223 0.017 0.000 2.021 314 L HA -0.209 4.164 4.340 0.055 0.000 0.215 314 L C -0.810 176.114 176.870 0.091 0.000 1.074 314 L CA 1.595 56.486 54.840 0.086 0.000 0.760 314 L CB -1.192 40.930 42.059 0.105 0.000 0.889 314 L HN 0.525 nan 8.230 nan 0.000 0.433 315 P HA -0.153 nan 4.420 nan 0.000 0.215 315 P C 1.946 179.302 177.300 0.093 0.000 1.157 315 P CA 1.267 64.401 63.100 0.057 0.000 0.874 315 P CB 0.037 31.744 31.700 0.011 0.000 0.790 316 V N -0.610 119.362 119.914 0.096 0.000 2.358 316 V HA -0.208 3.946 4.120 0.055 0.000 0.246 316 V C 2.390 178.658 176.094 0.291 0.000 1.047 316 V CA 1.489 63.892 62.300 0.173 0.000 1.035 316 V CB -1.272 30.657 31.823 0.176 0.000 0.658 316 V HN 0.057 nan 8.190 nan 0.000 0.452 317 L N -0.245 121.158 121.223 0.301 0.000 2.012 317 L HA -0.171 4.202 4.340 0.055 0.000 0.210 317 L C 2.217 179.248 176.870 0.268 0.000 1.073 317 L CA 1.861 56.932 54.840 0.386 0.000 0.748 317 L CB -0.659 41.592 42.059 0.320 0.000 0.891 317 L HN 0.222 nan 8.230 nan 0.000 0.431 318 L N -0.624 120.734 121.223 0.225 0.000 1.989 318 L HA -0.280 4.093 4.340 0.055 0.000 0.211 318 L C 2.598 179.577 176.870 0.182 0.000 1.071 318 L CA 2.112 57.088 54.840 0.227 0.000 0.749 318 L CB -0.326 41.846 42.059 0.188 0.000 0.890 318 L HN 0.528 nan 8.230 nan 0.000 0.431 319 E N -0.432 119.853 120.200 0.142 0.000 2.038 319 E HA -0.187 4.196 4.350 0.055 0.000 0.195 319 E C 1.024 177.661 176.600 0.063 0.000 1.000 319 E CA 1.460 57.917 56.400 0.095 0.000 0.803 319 E CB -0.128 29.619 29.700 0.077 0.000 0.750 319 E HN 0.638 nan 8.360 nan 0.000 0.448 323 E N 0.784 120.938 120.200 -0.076 0.000 2.338 323 E HA -0.087 4.296 4.350 0.055 0.000 0.197 323 E C 0.696 177.128 176.600 -0.280 0.000 1.007 323 E CA 1.014 57.305 56.400 -0.182 0.000 0.849 323 E CB 0.088 29.632 29.700 -0.260 0.000 0.774 323 E HN 0.396 nan 8.360 nan 0.000 0.506 324 H N -0.316 118.696 119.070 -0.096 0.000 2.507 324 H HA 0.233 4.823 4.556 0.055 0.000 0.294 324 H C 0.671 175.940 175.328 -0.098 0.000 1.064 324 H CA 0.530 56.515 56.048 -0.105 0.000 1.138 324 H CB 0.454 30.134 29.762 -0.137 0.000 1.515 324 H HN 0.184 nan 8.280 nan 0.000 0.547 325 G N 0.689 109.487 108.800 -0.002 0.000 2.248 325 G HA2 -0.208 3.786 3.960 0.055 0.000 0.263 325 G HA3 -0.208 3.786 3.960 0.055 0.000 0.263 325 G C 0.975 175.850 174.900 -0.042 0.000 1.082 325 G CA 0.401 45.500 45.100 -0.002 0.000 0.863 325 G HN 0.782 nan 8.290 nan 0.000 0.495 326 G N -1.781 106.935 108.800 -0.139 0.000 2.338 326 G HA2 0.230 4.224 3.960 0.055 0.000 0.296 326 G HA3 0.230 4.224 3.960 0.055 0.000 0.296 326 G C 0.418 174.983 174.900 -0.558 0.000 1.040 326 G CA 1.637 46.437 45.100 -0.499 0.000 1.004 326 G HN 2.330 nan 8.290 nan 0.000 0.509 327 T N -1.643 112.679 114.554 -0.386 0.000 2.749 327 T HA 0.577 4.960 4.350 0.055 0.000 0.310 327 T C -1.798 172.790 174.700 -0.186 0.000 1.496 327 T CA -0.314 61.650 62.100 -0.226 0.000 1.006 327 T CB 1.383 70.191 68.868 -0.099 0.000 1.457 327 T HN 1.201 nan 8.240 nan 0.000 0.497 328 L N 4.254 125.382 121.223 -0.158 0.000 2.388 328 L HA 0.593 4.967 4.340 0.055 0.000 0.267 328 L C -2.202 174.522 176.870 -0.243 0.000 0.995 328 L CA -1.703 52.994 54.840 -0.238 0.000 0.864 328 L CB 1.798 43.757 42.059 -0.168 0.000 1.216 328 L HN 0.385 nan 8.230 nan 0.000 0.430 329 P HA 0.090 nan 4.420 nan 0.000 0.252 329 P C -0.638 176.529 177.300 -0.222 0.000 1.694 329 P CA 0.118 63.051 63.100 -0.279 0.000 1.163 329 P CB -0.146 31.347 31.700 -0.346 0.000 1.934 330 L N 4.715 125.855 121.223 -0.140 0.000 2.375 330 L HA 0.382 4.756 4.340 0.055 0.000 0.271 330 L C -1.469 175.356 176.870 -0.074 0.000 1.107 330 L CA -2.410 52.372 54.840 -0.095 0.000 0.806 330 L CB 0.456 42.505 42.059 -0.017 0.000 1.146 330 L HN 0.125 nan 8.230 nan 0.000 0.447 331 P HA -0.012 nan 4.420 nan 0.000 0.267 331 P C -0.339 176.929 177.300 -0.054 0.000 1.209 331 P CA -0.002 63.059 63.100 -0.064 0.000 0.763 331 P CB 1.178 32.845 31.700 -0.055 0.000 0.816 332 V N 5.282 125.152 119.914 -0.075 0.000 2.811 332 V HA 0.166 4.319 4.120 0.055 0.000 0.302 332 V C 0.245 176.290 176.094 -0.083 0.000 1.063 332 V CA -0.287 61.964 62.300 -0.081 0.000 1.088 332 V CB 0.145 31.894 31.823 -0.123 0.000 0.982 332 V HN 0.339 nan 8.190 nan 0.000 0.485 333 I N 6.983 127.510 120.570 -0.071 0.000 2.378 333 I HA 0.505 4.708 4.170 0.055 0.000 0.291 333 I C 0.269 176.331 176.117 -0.090 0.000 0.992 333 I CA -0.427 60.830 61.300 -0.071 0.000 1.154 333 I CB 1.464 39.437 38.000 -0.045 0.000 1.315 333 I HN 0.529 nan 8.210 nan 0.000 0.448 334 R N 4.996 125.421 120.500 -0.126 0.000 2.369 334 R HA 0.292 4.666 4.340 0.055 0.000 0.310 334 R C -0.644 175.612 176.300 -0.073 0.000 1.141 334 R CA -0.610 55.390 56.100 -0.168 0.000 1.116 334 R CB 0.217 30.305 30.300 -0.353 0.000 1.135 334 R HN 0.525 nan 8.270 nan 0.000 0.529 335 N N 2.139 120.835 118.700 -0.006 0.000 2.470 335 N HA 0.015 4.788 4.740 0.055 0.000 0.268 335 N C -1.021 174.552 175.510 0.106 0.000 1.136 335 N CA 0.241 53.308 53.050 0.029 0.000 0.961 335 N CB 0.951 39.446 38.487 0.014 0.000 1.067 335 N HN 0.433 nan 8.380 nan 0.000 0.468 336 E N 2.681 122.934 120.200 0.089 0.000 2.174 336 E HA 0.381 4.764 4.350 0.055 0.000 0.282 336 E C -0.198 176.404 176.600 0.004 0.000 0.992 336 E CA -0.459 55.999 56.400 0.097 0.000 0.803 336 E CB 1.154 30.910 29.700 0.093 0.000 1.090 336 E HN 0.365 nan 8.360 nan 0.000 0.396 337 K N 0.753 121.128 120.400 -0.040 0.000 2.454 337 K HA 0.404 4.757 4.320 0.055 0.000 0.279 337 K C -0.620 175.904 176.600 -0.126 0.000 1.020 337 K CA -0.719 55.520 56.287 -0.080 0.000 0.850 337 K CB 1.405 33.856 32.500 -0.082 0.000 1.529 337 K HN 0.620 nan 8.250 nan 0.000 0.390 338 T N -2.500 111.960 114.554 -0.158 0.000 2.912 338 T HA 0.342 4.725 4.350 0.055 0.000 0.288 338 T C 1.471 176.007 174.700 -0.273 0.000 1.030 338 T CA -0.747 61.228 62.100 -0.208 0.000 1.020 338 T CB 1.258 70.003 68.868 -0.204 0.000 1.056 338 T HN 0.209 nan 8.240 nan 0.000 0.480 339 V N -0.205 119.503 119.914 -0.343 0.000 2.278 339 V HA -0.094 4.059 4.120 0.055 0.000 0.251 339 V C 1.137 176.934 176.094 -0.496 0.000 1.062 339 V CA 1.894 63.956 62.300 -0.396 0.000 1.038 339 V CB -0.843 30.684 31.823 -0.494 0.000 0.646 339 V HN 0.995 nan 8.190 nan 0.000 0.447 340 D N -0.019 119.976 120.400 -0.674 0.000 2.427 340 D HA 0.256 4.929 4.640 0.055 0.000 0.226 340 D C 1.347 177.450 176.300 -0.327 0.000 1.076 340 D CA 0.563 54.263 54.000 -0.501 0.000 0.849 340 D CB 1.785 42.322 40.800 -0.438 0.000 1.052 340 D HN 0.336 nan 8.370 nan 0.000 0.515 341 S N 2.032 117.539 115.700 -0.320 0.000 2.387 341 S HA -0.188 4.316 4.470 0.055 0.000 0.230 341 S C 1.514 176.039 174.600 -0.125 0.000 1.035 341 S CA 0.832 58.908 58.200 -0.206 0.000 1.014 341 S CB -0.170 62.907 63.200 -0.205 0.000 0.836 341 S HN 0.317 nan 8.310 nan 0.000 0.466 342 S N 2.166 117.815 115.700 -0.086 0.000 2.851 342 S HA 0.233 4.736 4.470 0.055 0.000 0.227 342 S C 0.176 174.791 174.600 0.025 0.000 0.958 342 S CA -0.286 57.913 58.200 -0.002 0.000 0.990 342 S CB -0.888 62.351 63.200 0.065 0.000 0.790 342 S HN 0.732 nan 8.310 nan 0.000 0.509 343 N N 0.333 119.019 118.700 -0.023 0.000 2.747 343 N HA 0.050 4.824 4.740 0.055 0.000 0.262 343 N C 0.649 176.129 175.510 -0.050 0.000 1.261 343 N CA -0.031 53.020 53.050 0.003 0.000 0.809 343 N CB 0.763 39.296 38.487 0.077 0.000 1.450 343 N HN 0.073 nan 8.380 nan 0.000 0.560 344 S N 1.217 116.899 115.700 -0.030 0.000 2.500 344 S HA -0.124 4.379 4.470 0.055 0.000 0.239 344 S C 1.523 176.101 174.600 -0.037 0.000 0.989 344 S CA 0.875 59.049 58.200 -0.042 0.000 0.951 344 S CB 0.047 63.231 63.200 -0.026 0.000 0.759 344 S HN 0.555 nan 8.310 nan 0.000 0.523 345 A N 1.562 124.375 122.820 -0.011 0.000 2.238 345 A HA 0.407 4.760 4.320 0.055 0.000 0.210 345 A C 1.265 178.852 177.584 0.005 0.000 1.179 345 A CA 0.226 52.269 52.037 0.010 0.000 0.827 345 A CB -0.406 18.623 19.000 0.049 0.000 0.856 345 A HN 0.634 nan 8.150 nan 0.000 0.488 346 S N 0.595 116.251 115.700 -0.073 0.000 2.585 346 S HA 0.392 4.895 4.470 0.055 0.000 0.273 346 S C -2.777 171.717 174.600 -0.177 0.000 1.339 346 S CA -1.175 56.898 58.200 -0.211 0.000 1.028 346 S CB 0.039 62.837 63.200 -0.670 0.000 0.906 346 S HN 0.097 nan 8.310 nan 0.000 0.528 347 P HA 0.019 nan 4.420 nan 0.000 0.260 347 P C -0.401 176.805 177.300 -0.157 0.000 1.172 347 P CA 0.305 63.344 63.100 -0.101 0.000 0.760 347 P CB 0.187 31.860 31.700 -0.046 0.000 0.773 348 K N 2.035 122.346 120.400 -0.148 0.000 2.382 348 K HA 0.316 4.669 4.320 0.055 0.000 0.275 348 K C 0.347 176.802 176.600 -0.242 0.000 1.009 348 K CA -0.208 55.967 56.287 -0.186 0.000 0.970 348 K CB 0.375 32.766 32.500 -0.182 0.000 0.934 348 K HN 0.311 nan 8.250 nan 0.000 0.479 349 V N -0.319 119.442 119.914 -0.255 0.000 3.182 349 V HA 0.513 4.666 4.120 0.055 0.000 0.308 349 V C -1.469 174.480 176.094 -0.243 0.000 1.240 349 V CA -1.170 60.969 62.300 -0.268 0.000 1.063 349 V CB 1.212 32.948 31.823 -0.145 0.000 1.076 349 V HN 0.690 nan 8.190 nan 0.000 0.446 350 Y N 0.163 120.436 120.300 -0.046 0.000 2.393 350 Y HA 0.657 5.241 4.550 0.056 0.000 0.341 350 Y C 0.069 175.959 175.900 -0.015 0.000 0.988 350 Y CA -0.715 57.359 58.100 -0.043 0.000 1.078 350 Y CB 2.283 40.707 38.460 -0.060 0.000 1.203 350 Y HN 0.613 nan 8.280 nan 0.000 0.453 351 Q N 4.483 124.378 119.800 0.159 0.000 2.341 351 Q HA 0.423 4.796 4.340 0.055 0.000 0.268 351 Q C -1.237 174.820 176.000 0.094 0.000 1.013 351 Q CA -0.620 55.249 55.803 0.111 0.000 0.798 351 Q CB 2.184 30.956 28.738 0.057 0.000 1.253 351 Q HN 0.559 nan 8.270 nan 0.000 0.457 352 L N 3.512 124.816 121.223 0.134 0.000 2.319 352 L HA 0.372 4.745 4.340 0.055 0.000 0.280 352 L C 0.285 177.206 176.870 0.085 0.000 1.099 352 L CA 0.095 54.975 54.840 0.068 0.000 0.828 352 L CB 0.209 42.278 42.059 0.017 0.000 1.150 352 L HN 0.644 nan 8.230 nan 0.000 0.442 353 E N 1.891 122.105 120.200 0.024 0.000 2.449 353 E HA 0.730 5.113 4.350 0.055 0.000 0.278 353 E C -1.154 175.446 176.600 -0.000 0.000 0.992 353 E CA -1.002 55.408 56.400 0.016 0.000 0.807 353 E CB 2.238 31.926 29.700 -0.020 0.000 1.350 353 E HN 0.509 nan 8.360 nan 0.000 0.462 354 T N -2.422 112.138 114.554 0.010 0.000 2.896 354 T HA 0.804 5.188 4.350 0.055 0.000 0.297 354 T C -0.488 174.253 174.700 0.069 0.000 1.108 354 T CA -0.677 61.448 62.100 0.042 0.000 1.004 354 T CB 1.701 70.617 68.868 0.081 0.000 1.159 354 T HN 0.702 nan 8.240 nan 0.000 0.499 358 A N 1.257 124.168 122.820 0.153 0.000 2.070 358 A HA 0.401 4.754 4.320 0.055 0.000 0.220 358 A C 2.593 180.142 177.584 -0.058 0.000 1.159 358 A CA 2.344 54.411 52.037 0.051 0.000 0.656 358 A CB -0.532 18.500 19.000 0.052 0.000 0.800 358 A HN 1.295 nan 8.150 nan 0.000 0.453 359 A N -0.097 122.677 122.820 -0.077 0.000 2.131 359 A HA -0.112 4.241 4.320 0.055 0.000 0.220 359 A C 1.980 179.200 177.584 -0.606 0.000 1.158 359 A CA 1.260 53.102 52.037 -0.325 0.000 0.665 359 A CB -0.654 18.127 19.000 -0.364 0.000 0.795 359 A HN 0.661 nan 8.150 nan 0.000 0.460 360 I N -0.907 119.250 120.570 -0.687 0.000 2.399 360 I HA -0.159 4.044 4.170 0.055 0.000 0.254 360 I C 1.546 177.529 176.117 -0.223 0.000 1.146 360 I CA 0.650 61.577 61.300 -0.622 0.000 1.412 360 I CB -0.206 37.746 38.000 -0.079 0.000 1.076 360 I HN 0.404 nan 8.210 nan 0.000 0.432 364 E N 0.334 120.623 120.200 0.148 0.000 2.106 364 E HA -0.062 4.321 4.350 0.055 0.000 0.192 364 E C 0.491 177.159 176.600 0.112 0.000 0.984 364 E CA 1.253 57.708 56.400 0.092 0.000 0.806 364 E CB 0.106 29.839 29.700 0.056 0.000 0.750 364 E HN 0.372 nan 8.360 nan 0.000 0.458 365 S N 0.837 116.627 115.700 0.151 0.000 2.945 365 S HA 0.352 4.855 4.470 0.055 0.000 0.227 365 S C -0.177 174.512 174.600 0.148 0.000 1.353 365 S CA -0.456 57.813 58.200 0.116 0.000 1.236 365 S CB 0.587 63.840 63.200 0.089 0.000 1.069 365 S HN 0.210 nan 8.310 nan 0.000 0.509 366 A N 1.163 124.088 122.820 0.176 0.000 2.303 366 A HA 0.851 5.204 4.320 0.055 0.000 0.317 366 A C 0.303 177.993 177.584 0.176 0.000 1.149 366 A CA -0.503 51.669 52.037 0.225 0.000 0.822 366 A CB 1.232 20.365 19.000 0.222 0.000 1.131 366 A HN 0.364 nan 8.150 nan 0.000 0.493 367 S N -1.159 114.669 115.700 0.212 0.000 2.656 367 S HA 0.806 5.309 4.470 0.055 0.000 0.273 367 S C -1.063 173.633 174.600 0.161 0.000 1.168 367 S CA 0.194 58.485 58.200 0.152 0.000 0.817 367 S CB 1.678 64.948 63.200 0.116 0.000 1.146 367 S HN 2.018 nan 8.310 nan 0.000 0.475 368 A N 1.527 124.399 122.820 0.087 0.000 2.435 368 A HA 0.861 5.215 4.320 0.055 0.000 0.304 368 A C -1.345 176.202 177.584 -0.061 0.000 1.064 368 A CA -0.572 51.478 52.037 0.022 0.000 0.727 368 A CB 1.063 20.050 19.000 -0.022 0.000 1.284 368 A HN 0.854 nan 8.150 nan 0.000 0.415 369 I N 2.137 122.638 120.570 -0.115 0.000 2.533 369 I HA 0.507 4.710 4.170 0.055 0.000 0.290 369 I C -1.121 174.844 176.117 -0.253 0.000 1.056 369 I CA -0.941 60.238 61.300 -0.202 0.000 1.057 369 I CB 1.970 39.829 38.000 -0.234 0.000 1.240 369 I HN 0.410 nan 8.210 nan 0.000 0.423 370 V N 7.643 127.373 119.914 -0.308 0.000 2.508 370 V HA 0.259 4.412 4.120 0.055 0.000 0.281 370 V C 0.157 176.152 176.094 -0.165 0.000 1.041 370 V CA -0.235 61.904 62.300 -0.269 0.000 1.016 370 V CB 0.869 32.552 31.823 -0.235 0.000 0.984 370 V HN 0.514 nan 8.190 nan 0.000 0.478 371 V N 3.881 123.723 119.914 -0.121 0.000 2.960 371 V HA 0.770 4.923 4.120 0.055 0.000 0.315 371 V C -2.477 173.601 176.094 -0.027 0.000 1.087 371 V CA -2.474 59.783 62.300 -0.072 0.000 0.982 371 V CB 1.996 33.795 31.823 -0.040 0.000 1.039 371 V HN 0.680 nan 8.190 nan 0.000 0.437 372 P HA 0.230 nan 4.420 nan 0.000 0.272 372 P C 0.237 177.583 177.300 0.077 0.000 1.223 372 P CA -0.246 62.871 63.100 0.029 0.000 0.784 372 P CB 1.134 32.842 31.700 0.013 0.000 0.923 373 R N 2.265 122.832 120.500 0.112 0.000 2.185 373 R HA -0.171 4.202 4.340 0.055 0.000 0.247 373 R C 2.223 178.642 176.300 0.199 0.000 1.159 373 R CA 2.329 58.547 56.100 0.197 0.000 0.988 373 R CB -1.138 29.283 30.300 0.203 0.000 0.871 373 R HN 0.621 nan 8.270 nan 0.000 0.458 374 S N -0.528 115.249 115.700 0.129 0.000 2.442 374 S HA -0.142 4.361 4.470 0.055 0.000 0.236 374 S C 1.689 176.367 174.600 0.131 0.000 1.007 374 S CA 0.974 59.246 58.200 0.120 0.000 0.965 374 S CB -0.244 63.001 63.200 0.076 0.000 0.773 374 S HN 0.398 nan 8.310 nan 0.000 0.504 375 R N -0.388 120.202 120.500 0.149 0.000 2.313 375 R HA 0.271 4.645 4.340 0.055 0.000 0.199 375 R C -0.445 176.009 176.300 0.256 0.000 0.958 375 R CA 0.180 56.382 56.100 0.171 0.000 1.047 375 R CB -0.021 30.371 30.300 0.154 0.000 0.955 375 R HN 0.490 nan 8.270 nan 0.000 0.481 376 F N 0.536 120.546 119.950 0.101 0.000 2.550 376 F HA 0.422 4.982 4.527 0.055 0.000 0.348 376 F C -0.605 175.272 175.800 0.128 0.000 1.219 376 F CA -1.315 56.762 58.000 0.129 0.000 1.203 376 F CB 0.925 40.041 39.000 0.192 0.000 1.436 376 F HN -0.195 nan 8.300 nan 0.000 0.541 377 A N 5.900 128.611 122.820 -0.181 0.000 3.201 377 A HA 0.458 4.811 4.320 0.055 0.000 0.312 377 A C -2.648 174.778 177.584 -0.265 0.000 1.011 377 A CA -1.286 50.636 52.037 -0.192 0.000 0.987 377 A CB -0.798 18.170 19.000 -0.054 0.000 1.060 377 A HN 0.362 nan 8.150 nan 0.000 0.505 378 P HA 0.136 nan 4.420 nan 0.000 0.269 378 P C -0.309 176.876 177.300 -0.193 0.000 1.209 378 P CA 0.303 63.200 63.100 -0.338 0.000 0.776 378 P CB 1.448 32.882 31.700 -0.443 0.000 0.876 379 V N 5.251 125.095 119.914 -0.116 0.000 2.304 379 V HA 0.136 4.289 4.120 0.055 0.000 0.269 379 V C 1.331 177.387 176.094 -0.064 0.000 1.036 379 V CA 0.050 62.334 62.300 -0.026 0.000 0.840 379 V CB 0.698 32.636 31.823 0.191 0.000 1.036 379 V HN 0.547 nan 8.190 nan 0.000 0.466 380 K N 2.041 122.401 120.400 -0.066 0.000 2.348 380 K HA 0.187 4.541 4.320 0.055 0.000 0.194 380 K C 0.894 177.470 176.600 -0.038 0.000 1.052 380 K CA 0.537 56.792 56.287 -0.053 0.000 1.004 380 K CB 1.022 33.497 32.500 -0.042 0.000 0.873 380 K HN 0.766 nan 8.250 nan 0.000 0.523 381 T N -3.576 110.950 114.554 -0.046 0.000 2.901 381 T HA 0.208 4.591 4.350 0.055 0.000 0.293 381 T C 1.299 175.924 174.700 -0.126 0.000 1.084 381 T CA -0.799 61.269 62.100 -0.054 0.000 1.008 381 T CB 1.412 70.266 68.868 -0.023 0.000 1.170 381 T HN 0.010 nan 8.240 nan 0.000 0.509 382 C N 0.814 120.005 119.300 -0.181 0.000 2.419 382 C HA 0.174 4.667 4.460 0.055 0.000 0.281 382 C C 3.153 177.859 174.990 -0.473 0.000 1.336 382 C CA 0.884 59.610 59.018 -0.487 0.000 1.770 382 C CB -1.901 25.546 27.740 -0.488 0.000 1.929 382 C HN 1.006 nan 8.230 nan 0.000 0.509 383 A N 1.135 123.856 122.820 -0.165 0.000 1.902 383 A HA -0.201 4.152 4.320 0.055 0.000 0.217 383 A C 1.820 179.364 177.584 -0.068 0.000 1.181 383 A CA 2.013 54.015 52.037 -0.058 0.000 0.623 383 A CB -0.534 18.476 19.000 0.016 0.000 0.818 383 A HN 0.548 nan 8.150 nan 0.000 0.443 384 D N -0.594 119.759 120.400 -0.078 0.000 2.219 384 D HA -0.092 4.581 4.640 0.055 0.000 0.205 384 D C 1.724 177.971 176.300 -0.088 0.000 0.970 384 D CA 0.842 54.809 54.000 -0.055 0.000 0.851 384 D CB -0.163 40.607 40.800 -0.050 0.000 0.943 384 D HN 0.346 nan 8.370 nan 0.000 0.488 385 L N 0.746 121.864 121.223 -0.176 0.000 2.109 385 L HA -0.058 4.315 4.340 0.055 0.000 0.207 385 L C 2.064 178.879 176.870 -0.091 0.000 1.086 385 L CA 0.910 55.633 54.840 -0.195 0.000 0.760 385 L CB -0.604 41.231 42.059 -0.375 0.000 0.910 385 L HN -0.035 nan 8.230 nan 0.000 0.437 386 L N -0.011 121.174 121.223 -0.063 0.000 2.012 386 L HA -0.147 4.226 4.340 0.055 0.000 0.210 386 L C 2.521 179.442 176.870 0.085 0.000 1.073 386 L CA 2.222 57.160 54.840 0.165 0.000 0.748 386 L CB -1.321 40.878 42.059 0.233 0.000 0.891 386 L HN 0.258 nan 8.230 nan 0.000 0.431 387 A N -0.420 122.440 122.820 0.066 0.000 1.873 387 A HA -0.242 4.112 4.320 0.055 0.000 0.218 387 A C 2.374 180.068 177.584 0.184 0.000 1.193 387 A CA 2.295 54.409 52.037 0.128 0.000 0.629 387 A CB -1.104 17.993 19.000 0.162 0.000 0.826 387 A HN 0.522 nan 8.150 nan 0.000 0.447 388 L N -1.055 120.179 121.223 0.019 0.000 2.042 388 L HA -0.211 4.163 4.340 0.055 0.000 0.210 388 L C 2.931 179.790 176.870 -0.018 0.000 1.076 388 L CA 1.266 56.014 54.840 -0.154 0.000 0.749 388 L CB -0.363 41.510 42.059 -0.309 0.000 0.893 388 L HN 0.349 nan 8.230 nan 0.000 0.432 389 R N 0.140 120.649 120.500 0.016 0.000 2.096 389 R HA -0.069 4.304 4.340 0.055 0.000 0.235 389 R C 1.444 177.773 176.300 0.047 0.000 1.127 389 R CA 0.982 57.107 56.100 0.042 0.000 0.968 389 R CB -0.918 29.432 30.300 0.085 0.000 0.861 389 R HN 0.498 nan 8.270 nan 0.000 0.440 390 S N 1.942 117.674 115.700 0.053 0.000 2.587 390 S HA -0.052 4.452 4.470 0.055 0.000 0.260 390 S C 0.712 175.339 174.600 0.046 0.000 1.353 390 S CA -0.071 58.144 58.200 0.025 0.000 0.995 390 S CB 0.637 63.839 63.200 0.002 0.000 0.912 390 S HN 0.302 nan 8.310 nan 0.000 0.568 391 D N -0.005 120.397 120.400 0.003 0.000 2.371 391 D HA 0.087 4.760 4.640 0.055 0.000 0.234 391 D C 1.487 177.767 176.300 -0.032 0.000 1.049 391 D CA 0.734 54.730 54.000 -0.007 0.000 0.907 391 D CB -0.640 40.145 40.800 -0.026 0.000 0.891 391 D HN 0.607 nan 8.370 nan 0.000 0.531 392 A N -0.735 122.064 122.820 -0.034 0.000 2.066 392 A HA 0.002 4.355 4.320 0.055 0.000 0.218 392 A C 0.120 177.521 177.584 -0.304 0.000 1.157 392 A CA 0.484 52.429 52.037 -0.153 0.000 0.670 392 A CB -0.416 18.498 19.000 -0.143 0.000 0.804 392 A HN 0.282 nan 8.150 nan 0.000 0.453 393 Y N -0.952 119.314 120.300 -0.058 0.000 2.364 393 Y HA 0.476 5.060 4.550 0.056 0.000 0.340 393 Y C 0.149 176.005 175.900 -0.074 0.000 0.975 393 Y CA -0.932 57.123 58.100 -0.075 0.000 1.089 393 Y CB 1.984 40.389 38.460 -0.090 0.000 1.192 393 Y HN 0.136 nan 8.280 nan 0.000 0.454 394 V N 0.547 120.496 119.914 0.058 0.000 3.019 394 V HA 0.815 4.968 4.120 0.055 0.000 0.317 394 V C -0.898 175.188 176.094 -0.013 0.000 1.094 394 V CA -1.101 61.205 62.300 0.010 0.000 1.000 394 V CB 1.707 33.512 31.823 -0.030 0.000 1.060 394 V HN 0.410 nan 8.190 nan 0.000 0.443 395 V N 2.480 122.382 119.914 -0.020 0.000 2.394 395 V HA 0.509 4.662 4.120 0.055 0.000 0.282 395 V C 0.897 176.928 176.094 -0.105 0.000 1.031 395 V CA 0.294 62.569 62.300 -0.041 0.000 0.881 395 V CB 1.132 32.999 31.823 0.072 0.000 0.982 395 V HN 1.257 nan 8.190 nan 0.000 0.451 396 T N 0.342 114.808 114.554 -0.147 0.000 2.732 396 T HA 0.138 4.521 4.350 0.055 0.000 0.287 396 T C 0.791 175.281 174.700 -0.349 0.000 0.993 396 T CA -0.359 61.621 62.100 -0.200 0.000 0.966 396 T CB 0.725 69.482 68.868 -0.184 0.000 1.047 396 T HN 0.609 nan 8.240 nan 0.000 0.527 397 D N 0.762 120.947 120.400 -0.358 0.000 2.183 397 D HA -0.071 4.602 4.640 0.055 0.000 0.203 397 D C 1.171 177.002 176.300 -0.783 0.000 0.969 397 D CA 1.156 54.876 54.000 -0.468 0.000 0.842 397 D CB -0.190 40.458 40.800 -0.253 0.000 0.957 397 D HN 0.808 nan 8.370 nan 0.000 0.484 398 D N -0.148 119.778 120.400 -0.790 0.000 2.352 398 D HA -0.070 4.603 4.640 0.055 0.000 0.236 398 D C 0.020 176.153 176.300 -0.280 0.000 1.148 398 D CA -0.575 52.758 54.000 -1.111 0.000 0.844 398 D CB -1.096 39.101 40.800 -1.005 0.000 0.933 398 D HN 0.053 nan 8.370 nan 0.000 0.507 399 F N -0.204 119.624 119.950 -0.203 0.000 3.039 399 F HA -0.277 4.284 4.527 0.056 0.000 0.287 399 F C 0.438 176.260 175.800 0.037 0.000 0.956 399 F CA 0.324 58.344 58.000 0.034 0.000 0.971 399 F CB -1.934 37.152 39.000 0.143 0.000 0.943 399 F HN 0.048 nan 8.300 nan 0.000 0.766 400 R N 0.197 120.697 120.500 0.000 0.000 2.732 400 R HA 0.789 5.162 4.340 0.055 0.000 0.278 400 R C -0.456 175.741 176.300 -0.170 0.000 0.976 400 R CA -1.209 54.850 56.100 -0.068 0.000 0.963 400 R CB 1.744 32.006 30.300 -0.062 0.000 1.150 400 R HN 0.166 nan 8.270 nan 0.000 0.478 401 L N 3.330 124.402 121.223 -0.251 0.000 2.262 401 L HA 0.430 4.803 4.340 0.055 0.000 0.288 401 L C -0.504 176.354 176.870 -0.021 0.000 1.035 401 L CA -0.702 53.989 54.840 -0.247 0.000 0.820 401 L CB 1.456 43.225 42.059 -0.483 0.000 1.204 401 L HN 0.419 nan 8.230 nan 0.000 0.424 402 V N 1.811 121.771 119.914 0.076 0.000 3.040 402 V HA 0.529 4.682 4.120 0.055 0.000 0.312 402 V C -0.084 176.049 176.094 0.065 0.000 1.115 402 V CA -1.140 61.226 62.300 0.110 0.000 0.998 402 V CB 1.969 33.791 31.823 -0.002 0.000 1.042 402 V HN 0.502 nan 8.190 nan 0.000 0.433 403 L N 2.202 123.345 121.223 -0.133 0.000 2.483 403 L HA 0.210 4.583 4.340 0.055 0.000 0.275 403 L C 0.865 177.590 176.870 -0.241 0.000 1.220 403 L CA 0.312 54.896 54.840 -0.426 0.000 0.833 403 L CB 0.181 42.004 42.059 -0.394 0.000 1.102 403 L HN 0.870 nan 8.230 nan 0.000 0.490 404 D N 1.156 121.403 120.400 -0.254 0.000 2.357 404 D HA -0.080 4.594 4.640 0.055 0.000 0.242 404 D C 0.445 176.633 176.300 -0.186 0.000 1.153 404 D CA -0.341 53.555 54.000 -0.173 0.000 0.918 404 D CB 1.134 41.841 40.800 -0.154 0.000 1.181 404 D HN 0.487 nan 8.370 nan 0.000 0.435 405 D N 2.059 122.363 120.400 -0.161 0.000 2.178 405 D HA -0.139 4.534 4.640 0.055 0.000 0.201 405 D C 1.529 177.635 176.300 -0.323 0.000 0.980 405 D CA 0.928 54.816 54.000 -0.188 0.000 0.842 405 D CB 0.052 40.774 40.800 -0.129 0.000 0.948 405 D HN 0.384 nan 8.370 nan 0.000 0.472 406 R N -0.392 119.934 120.500 -0.289 0.000 2.343 406 R HA 0.053 4.426 4.340 0.055 0.000 0.202 406 R C 1.612 177.674 176.300 -0.397 0.000 1.023 406 R CA 0.033 55.913 56.100 -0.366 0.000 1.084 406 R CB -0.293 29.900 30.300 -0.177 0.000 0.956 406 R HN 0.183 nan 8.270 nan 0.000 0.478 407 C N -1.296 117.792 119.300 -0.353 0.000 2.674 407 C HA 0.147 4.640 4.460 0.055 0.000 0.276 407 C C 0.275 175.229 174.990 -0.062 0.000 1.300 407 C CA -0.317 58.593 59.018 -0.180 0.000 1.732 407 C CB -0.418 27.215 27.740 -0.179 0.000 2.076 407 C HN 0.653 nan 8.230 nan 0.000 0.548 408 H N -0.269 118.783 119.070 -0.030 0.000 2.820 408 H HA -0.180 4.409 4.556 0.055 0.000 0.295 408 H C 1.464 176.690 175.328 -0.171 0.000 1.187 408 H CA 1.232 57.259 56.048 -0.035 0.000 1.144 408 H CB -1.654 28.147 29.762 0.065 0.000 1.354 408 H HN 0.743 nan 8.280 nan 0.000 0.395 409 G N -0.304 108.418 108.800 -0.131 0.000 2.179 409 G HA2 -0.290 3.704 3.960 0.055 0.000 0.260 409 G HA3 -0.290 3.704 3.960 0.055 0.000 0.260 409 G C -0.107 174.599 174.900 -0.325 0.000 0.977 409 G CA 0.493 45.450 45.100 -0.238 0.000 0.641 409 G HN 0.701 nan 8.290 nan 0.000 0.533 410 H N 0.957 120.031 119.070 0.006 0.000 2.595 410 H HA 0.415 5.005 4.556 0.056 0.000 0.313 410 H C -2.404 172.905 175.328 -0.031 0.000 1.023 410 H CA -1.609 54.445 56.048 0.010 0.000 1.218 410 H CB 1.670 31.453 29.762 0.034 0.000 1.403 410 H HN 0.177 nan 8.280 nan 0.000 0.477 411 P HA 0.161 nan 4.420 nan 0.000 0.276 411 P C -2.451 174.881 177.300 0.053 0.000 1.244 411 P CA -1.495 61.614 63.100 0.015 0.000 0.801 411 P CB 0.210 31.964 31.700 0.091 0.000 1.006 412 P HA 0.053 nan 4.420 nan 0.000 0.271 412 P C -0.761 176.577 177.300 0.063 0.000 1.216 412 P CA 0.154 63.277 63.100 0.039 0.000 0.771 412 P CB 0.313 32.028 31.700 0.025 0.000 0.864 413 V N 4.984 124.933 119.914 0.057 0.000 2.432 413 V HA 0.136 4.289 4.120 0.055 0.000 0.271 413 V C 0.304 176.434 176.094 0.060 0.000 1.046 413 V CA -0.165 62.172 62.300 0.062 0.000 0.945 413 V CB 1.172 33.027 31.823 0.054 0.000 0.992 413 V HN 0.235 nan 8.190 nan 0.000 0.471 414 V N 4.330 124.282 119.914 0.064 0.000 2.417 414 V HA 0.495 4.648 4.120 0.055 0.000 0.291 414 V C -0.465 175.668 176.094 0.066 0.000 1.024 414 V CA -0.514 61.825 62.300 0.066 0.000 0.861 414 V CB 1.937 33.799 31.823 0.066 0.000 0.985 414 V HN 0.901 nan 8.190 nan 0.000 0.436 415 D N 4.821 125.265 120.400 0.073 0.000 2.421 415 D HA 0.428 5.101 4.640 0.055 0.000 0.254 415 D C -0.927 175.428 176.300 0.092 0.000 1.238 415 D CA -0.220 53.826 54.000 0.077 0.000 0.919 415 D CB 1.116 41.958 40.800 0.071 0.000 1.152 415 D HN 0.385 nan 8.370 nan 0.000 0.552 416 L N 2.316 123.606 121.223 0.112 0.000 2.309 416 L HA 0.346 4.719 4.340 0.055 0.000 0.282 416 L C 0.293 177.315 176.870 0.253 0.000 1.036 416 L CA -1.122 53.813 54.840 0.158 0.000 0.806 416 L CB 1.580 43.734 42.059 0.158 0.000 1.220 416 L HN 0.336 nan 8.230 nan 0.000 0.429 417 D N 1.902 122.511 120.400 0.349 0.000 2.401 417 D HA 0.074 4.748 4.640 0.055 0.000 0.254 417 D C 0.206 176.705 176.300 0.332 0.000 1.192 417 D CA 0.210 54.399 54.000 0.315 0.000 0.885 417 D CB 0.944 41.924 40.800 0.301 0.000 1.147 417 D HN 0.401 nan 8.370 nan 0.000 0.478 418 S N 2.557 118.374 115.700 0.196 0.000 2.618 418 S HA 0.391 4.894 4.470 0.055 0.000 0.254 418 S C 1.201 175.833 174.600 0.054 0.000 1.284 418 S CA -0.001 58.273 58.200 0.124 0.000 0.975 418 S CB 0.150 63.396 63.200 0.075 0.000 1.022 418 S HN 0.983 nan 8.310 nan 0.000 0.571 419 A N -0.785 122.007 122.820 -0.047 0.000 2.910 419 A HA -0.247 4.106 4.320 0.055 0.000 0.267 419 A C 0.821 178.103 177.584 -0.503 0.000 1.310 419 A CA 2.016 53.928 52.037 -0.209 0.000 0.934 419 A CB -2.115 16.780 19.000 -0.176 0.000 1.057 419 A HN 0.887 nan 8.150 nan 0.000 0.742 420 H N -5.006 113.922 119.070 -0.238 0.000 2.129 420 H HA 0.132 4.721 4.556 0.055 0.000 0.165 420 H C 0.609 175.542 175.328 -0.658 0.000 0.928 420 H CA 1.141 56.842 56.048 -0.578 0.000 0.904 420 H CB 0.304 29.483 29.762 -0.972 0.000 0.940 420 H HN 0.635 nan 8.280 nan 0.000 0.394 421 Y N 1.381 121.821 120.300 0.232 0.000 2.682 421 Y HA 0.268 4.851 4.550 0.055 0.000 0.251 421 Y C 0.941 176.930 175.900 0.149 0.000 1.172 421 Y CA -0.494 57.741 58.100 0.225 0.000 1.186 421 Y CB 0.758 39.382 38.460 0.274 0.000 1.216 421 Y HN -0.123 nan 8.280 nan 0.000 0.540 426 G N 0.506 109.381 108.800 0.125 0.000 2.408 426 G HA2 -0.082 3.912 3.960 0.055 0.000 0.215 426 G HA3 -0.082 3.912 3.960 0.055 0.000 0.215 426 G C 1.303 176.382 174.900 0.298 0.000 1.156 426 G CA 0.751 45.931 45.100 0.134 0.000 0.793 426 G HN 0.312 nan 8.290 nan 0.000 0.535 427 F N 1.832 121.932 119.950 0.250 0.000 2.126 427 F HA -0.087 4.473 4.527 0.056 0.000 0.299 427 F C 2.381 178.282 175.800 0.168 0.000 1.096 427 F CA 1.925 60.093 58.000 0.281 0.000 1.255 427 F CB -0.059 39.053 39.000 0.188 0.000 0.997 427 F HN 0.217 nan 8.300 nan 0.000 0.479 428 E N 0.416 120.592 120.200 -0.041 0.000 2.204 428 E HA -0.148 4.235 4.350 0.055 0.000 0.194 428 E C 2.020 178.508 176.600 -0.187 0.000 0.989 428 E CA 1.193 57.480 56.400 -0.189 0.000 0.824 428 E CB -0.113 29.584 29.700 -0.005 0.000 0.756 428 E HN 0.459 nan 8.360 nan 0.000 0.477 429 K N -0.194 120.160 120.400 -0.076 0.000 1.984 429 K HA -0.144 4.209 4.320 0.055 0.000 0.209 429 K C 2.093 178.622 176.600 -0.117 0.000 1.046 429 K CA 1.256 57.500 56.287 -0.072 0.000 0.934 429 K CB -0.450 32.065 32.500 0.024 0.000 0.717 429 K HN 0.093 nan 8.250 nan 0.000 0.438 430 L N 1.475 122.690 121.223 -0.014 0.000 2.064 430 L HA -0.196 4.178 4.340 0.055 0.000 0.216 430 L C 1.841 178.670 176.870 -0.067 0.000 1.077 430 L CA 1.758 56.577 54.840 -0.035 0.000 0.766 430 L CB -0.326 41.673 42.059 -0.099 0.000 0.890 430 L HN 0.164 nan 8.230 nan 0.000 0.435 431 V N -3.639 116.122 119.914 -0.255 0.000 3.542 431 V HA 0.052 4.205 4.120 0.055 0.000 0.296 431 V C 2.018 177.982 176.094 -0.216 0.000 1.364 431 V CA 0.645 62.814 62.300 -0.219 0.000 1.118 431 V CB -0.583 31.003 31.823 -0.394 0.000 0.972 431 V HN 0.618 nan 8.190 nan 0.000 0.430 432 Q N 1.172 120.800 119.800 -0.287 0.000 2.103 432 Q HA -0.296 4.077 4.340 0.055 0.000 0.213 432 Q C 1.944 177.787 176.000 -0.261 0.000 1.008 432 Q CA 2.707 58.310 55.803 -0.334 0.000 0.879 432 Q CB -0.200 28.219 28.738 -0.531 0.000 0.946 432 Q HN 0.858 nan 8.270 nan 0.000 0.413 433 H N -1.421 117.642 119.070 -0.012 0.000 2.539 433 H HA 0.376 4.965 4.556 0.056 0.000 0.267 433 H C 0.660 175.982 175.328 -0.010 0.000 0.982 433 H CA 0.926 56.970 56.048 -0.007 0.000 1.146 433 H CB 0.585 30.347 29.762 -0.001 0.000 1.382 433 H HN 0.384 nan 8.280 nan 0.000 0.577 434 G N -0.407 108.413 108.800 0.034 0.000 2.345 434 G HA2 0.129 4.122 3.960 0.055 0.000 0.310 434 G HA3 0.129 4.122 3.960 0.055 0.000 0.310 434 G C -1.748 173.107 174.900 -0.076 0.000 1.476 434 G CA -0.815 44.282 45.100 -0.005 0.000 0.978 434 G HN 0.046 nan 8.290 nan 0.000 0.656 435 V N 3.073 122.920 119.914 -0.113 0.000 2.347 435 V HA 0.550 4.704 4.120 0.055 0.000 0.280 435 V C -1.391 174.553 176.094 -0.250 0.000 1.021 435 V CA -1.137 61.039 62.300 -0.206 0.000 0.847 435 V CB 1.446 33.196 31.823 -0.121 0.000 0.990 435 V HN 0.738 nan 8.190 nan 0.000 0.444 436 P HA 0.047 nan 4.420 nan 0.000 0.267 436 P C -0.101 177.059 177.300 -0.233 0.000 1.200 436 P CA 0.084 62.956 63.100 -0.379 0.000 0.772 436 P CB 0.804 32.080 31.700 -0.707 0.000 0.855 437 S N 1.686 117.306 115.700 -0.134 0.000 2.481 437 S HA 0.184 4.687 4.470 0.055 0.000 0.276 437 S C 0.789 175.341 174.600 -0.080 0.000 1.247 437 S CA -0.546 57.602 58.200 -0.087 0.000 1.053 437 S CB -0.725 62.442 63.200 -0.055 0.000 0.925 437 S HN 0.376 nan 8.310 nan 0.000 0.491 438 L N 5.440 126.622 121.223 -0.069 0.000 3.016 438 L HA 0.281 4.654 4.340 0.055 0.000 0.267 438 L C 1.833 178.675 176.870 -0.047 0.000 1.182 438 L CA -0.090 54.719 54.840 -0.051 0.000 0.997 438 L CB 0.199 42.231 42.059 -0.045 0.000 1.354 438 L HN 0.607 nan 8.230 nan 0.000 0.569 439 V N 0.611 120.490 119.914 -0.057 0.000 2.469 439 V HA -0.188 3.965 4.120 0.055 0.000 0.251 439 V C 1.828 177.886 176.094 -0.060 0.000 1.064 439 V CA 1.927 64.182 62.300 -0.075 0.000 1.066 439 V CB 0.024 31.799 31.823 -0.079 0.000 0.667 439 V HN 0.456 nan 8.190 nan 0.000 0.461 440 E N -0.985 119.193 120.200 -0.037 0.000 2.501 440 E HA 0.165 4.548 4.350 0.055 0.000 0.201 440 E C 0.324 176.921 176.600 -0.005 0.000 1.016 440 E CA 0.138 56.527 56.400 -0.018 0.000 0.920 440 E CB 0.188 29.881 29.700 -0.012 0.000 1.023 440 E HN 0.603 nan 8.360 nan 0.000 0.474 441 C N 1.649 120.944 119.300 -0.008 0.000 2.307 441 C HA 0.275 4.769 4.460 0.055 0.000 0.340 441 C C 1.840 176.837 174.990 0.011 0.000 1.275 441 C CA -0.487 58.535 59.018 0.005 0.000 1.811 441 C CB 0.356 28.099 27.740 0.006 0.000 2.372 441 C HN 0.361 nan 8.230 nan 0.000 0.531 442 K N 3.242 123.651 120.400 0.016 0.000 2.044 442 K HA 0.089 4.443 4.320 0.055 0.000 0.204 442 K C 0.860 177.474 176.600 0.023 0.000 1.049 442 K CA 0.926 57.222 56.287 0.015 0.000 0.945 442 K CB 0.108 32.610 32.500 0.005 0.000 0.724 442 K HN 0.785 nan 8.250 nan 0.000 0.440 443 R N 0.050 120.568 120.500 0.029 0.000 2.604 443 R HA 0.314 4.687 4.340 0.055 0.000 0.270 443 R C -2.224 174.106 176.300 0.050 0.000 1.052 443 R CA -0.618 55.506 56.100 0.040 0.000 0.902 443 R CB 2.306 32.627 30.300 0.036 0.000 1.233 443 R HN 0.013 nan 8.270 nan 0.000 0.455 444 V N 3.094 123.046 119.914 0.063 0.000 2.638 444 V HA 0.634 4.787 4.120 0.055 0.000 0.306 444 V C -1.427 174.718 176.094 0.086 0.000 1.052 444 V CA -0.082 62.268 62.300 0.084 0.000 0.885 444 V CB 2.331 34.220 31.823 0.111 0.000 0.999 444 V HN 0.885 nan 8.190 nan 0.000 0.424 445 T N 5.924 120.526 114.554 0.081 0.000 2.824 445 T HA 0.647 5.031 4.350 0.055 0.000 0.282 445 T C -0.917 173.821 174.700 0.063 0.000 0.993 445 T CA -0.391 61.753 62.100 0.073 0.000 0.967 445 T CB 1.631 70.538 68.868 0.064 0.000 0.960 445 T HN 0.595 nan 8.240 nan 0.000 0.441 446 V N 4.154 124.102 119.914 0.056 0.000 2.407 446 V HA 0.470 4.623 4.120 0.055 0.000 0.291 446 V C -0.304 175.852 176.094 0.103 0.000 1.018 446 V CA -0.910 61.404 62.300 0.022 0.000 0.842 446 V CB 1.423 33.174 31.823 -0.121 0.000 0.996 446 V HN 0.726 nan 8.190 nan 0.000 0.426 447 K N 3.387 123.841 120.400 0.090 0.000 2.244 447 K HA 0.777 5.130 4.320 0.055 0.000 0.260 447 K C 0.449 177.085 176.600 0.060 0.000 0.951 447 K CA -0.018 56.327 56.287 0.097 0.000 0.826 447 K CB 1.998 34.540 32.500 0.070 0.000 1.108 447 K HN 1.087 nan 8.250 nan 0.000 0.433 448 G N 1.377 110.183 108.800 0.011 0.000 2.796 448 G HA2 -0.236 3.758 3.960 0.055 0.000 0.571 448 G HA3 -0.236 3.758 3.960 0.055 0.000 0.571 448 G C -1.252 173.403 174.900 -0.409 0.000 1.370 448 G CA -0.998 44.006 45.100 -0.161 0.000 0.856 448 G HN 0.455 nan 8.290 nan 0.000 0.538 449 L N 0.572 121.484 121.223 -0.518 0.000 2.485 449 L HA 0.567 4.940 4.340 0.055 0.000 0.279 449 L C 0.530 177.387 176.870 -0.022 0.000 1.124 449 L CA 0.118 54.737 54.840 -0.368 0.000 0.888 449 L CB 0.413 42.384 42.059 -0.146 0.000 1.217 449 L HN 0.708 nan 8.230 nan 0.000 0.464 450 V N 4.554 124.515 119.914 0.079 0.000 3.074 450 V HA 0.581 4.734 4.120 0.055 0.000 0.314 450 V C -0.575 175.455 176.094 -0.106 0.000 1.117 450 V CA -0.878 61.401 62.300 -0.035 0.000 1.014 450 V CB 2.208 33.932 31.823 -0.165 0.000 1.057 450 V HN 0.647 nan 8.190 nan 0.000 0.438 451 Q N 1.196 120.842 119.800 -0.257 0.000 2.275 451 Q HA 0.480 4.853 4.340 0.055 0.000 0.258 451 Q C -1.619 174.234 176.000 -0.247 0.000 0.960 451 Q CA -0.368 55.321 55.803 -0.190 0.000 0.801 451 Q CB 2.443 31.162 28.738 -0.032 0.000 1.302 451 Q HN 0.634 nan 8.270 nan 0.000 0.433 452 F N 0.578 120.461 119.950 -0.111 0.000 2.506 452 F HA 0.177 4.737 4.527 0.055 0.000 0.351 452 F C 1.531 177.324 175.800 -0.012 0.000 1.136 452 F CA 0.685 58.627 58.000 -0.096 0.000 1.298 452 F CB 0.625 39.565 39.000 -0.100 0.000 1.145 452 F HN 0.677 nan 8.300 nan 0.000 0.593 453 G N 1.107 110.008 108.800 0.168 0.000 3.107 453 G HA2 0.507 4.500 3.960 0.055 0.000 0.155 453 G HA3 0.507 4.500 3.960 0.055 0.000 0.155 453 G C -1.015 173.962 174.900 0.127 0.000 1.875 453 G CA 0.276 45.440 45.100 0.106 0.000 1.004 453 G HN 0.895 nan 8.290 nan 0.000 0.480 454 A N -3.233 119.625 122.820 0.065 0.000 2.520 454 A HA 0.640 4.994 4.320 0.055 0.000 0.298 454 A C 0.598 178.193 177.584 0.019 0.000 1.051 454 A CA 0.492 52.555 52.037 0.044 0.000 0.690 454 A CB 0.954 19.975 19.000 0.035 0.000 1.281 454 A HN 2.421 nan 8.150 nan 0.000 0.402 455 G N 1.328 110.131 108.800 0.004 0.000 2.153 455 G HA2 -0.261 3.733 3.960 0.055 0.000 0.252 455 G HA3 -0.261 3.733 3.960 0.055 0.000 0.252 455 G C 0.066 174.965 174.900 -0.001 0.000 0.994 455 G CA 0.508 45.606 45.100 -0.003 0.000 0.698 455 G HN 0.972 nan 8.290 nan 0.000 0.521 456 N N -0.562 118.141 118.700 0.005 0.000 2.492 456 N HA 0.386 5.160 4.740 0.055 0.000 0.262 456 N C -0.280 175.223 175.510 -0.012 0.000 1.202 456 N CA 0.182 53.244 53.050 0.021 0.000 0.926 456 N CB 1.184 39.720 38.487 0.081 0.000 1.078 456 N HN 0.087 nan 8.380 nan 0.000 0.454 457 V N 3.440 123.356 119.914 0.004 0.000 2.482 457 V HA 0.330 4.483 4.120 0.055 0.000 0.295 457 V C -0.676 175.423 176.094 0.008 0.000 1.026 457 V CA -0.746 61.549 62.300 -0.009 0.000 0.856 457 V CB 1.419 33.238 31.823 -0.007 0.000 1.001 457 V HN 0.424 nan 8.190 nan 0.000 0.424 458 L N 4.887 126.110 121.223 0.000 0.000 2.307 458 L HA 0.850 5.223 4.340 0.055 0.000 0.284 458 L C 0.483 177.360 176.870 0.011 0.000 1.023 458 L CA 0.232 55.085 54.840 0.021 0.000 0.810 458 L CB 2.100 44.181 42.059 0.037 0.000 1.231 458 L HN 0.902 nan 8.230 nan 0.000 0.423 459 T N -0.759 113.806 114.554 0.019 0.000 2.906 459 T HA 0.856 5.239 4.350 0.055 0.000 0.295 459 T C 0.361 175.073 174.700 0.020 0.000 1.075 459 T CA -0.286 61.822 62.100 0.014 0.000 1.005 459 T CB 1.691 70.566 68.868 0.012 0.000 1.136 459 T HN 1.049 nan 8.240 nan 0.000 0.498 460 G N 1.430 110.240 108.800 0.017 0.000 2.582 460 G HA2 -0.177 3.817 3.960 0.055 0.000 0.288 460 G HA3 -0.177 3.817 3.960 0.055 0.000 0.288 460 G C -0.147 174.766 174.900 0.022 0.000 1.247 460 G CA 0.093 45.203 45.100 0.017 0.000 0.972 460 G HN 1.241 nan 8.290 nan 0.000 0.557 461 T N 0.648 115.216 114.554 0.023 0.000 2.767 461 T HA 0.574 4.957 4.350 0.055 0.000 0.284 461 T C -0.130 174.593 174.700 0.038 0.000 0.973 461 T CA -0.083 62.034 62.100 0.029 0.000 0.996 461 T CB 1.657 70.539 68.868 0.024 0.000 0.927 461 T HN 0.958 nan 8.240 nan 0.000 0.456 462 V N 3.380 123.323 119.914 0.048 0.000 2.638 462 V HA 0.566 4.719 4.120 0.055 0.000 0.306 462 V C -0.081 176.052 176.094 0.065 0.000 1.052 462 V CA -0.816 61.520 62.300 0.059 0.000 0.885 462 V CB 2.383 34.250 31.823 0.073 0.000 0.999 462 V HN 0.930 nan 8.190 nan 0.000 0.424 463 T N 5.712 120.303 114.554 0.061 0.000 2.824 463 T HA 0.686 5.069 4.350 0.055 0.000 0.282 463 T C -0.471 174.271 174.700 0.069 0.000 0.993 463 T CA -0.170 61.966 62.100 0.061 0.000 0.967 463 T CB 1.089 69.987 68.868 0.051 0.000 0.960 463 T HN 0.439 nan 8.240 nan 0.000 0.441 464 I N 4.048 124.656 120.570 0.064 0.000 2.437 464 I HA 0.340 4.543 4.170 0.055 0.000 0.279 464 I C 0.022 176.201 176.117 0.103 0.000 1.028 464 I CA -0.680 60.673 61.300 0.088 0.000 1.142 464 I CB 1.055 39.042 38.000 -0.022 0.000 1.266 464 I HN 0.664 nan 8.210 nan 0.000 0.461 465 E N 5.354 125.623 120.200 0.116 0.000 2.248 465 E HA 0.359 4.743 4.350 0.055 0.000 0.267 465 E C -1.137 175.467 176.600 0.008 0.000 0.877 465 E CA -0.957 55.482 56.400 0.066 0.000 0.759 465 E CB 2.232 31.951 29.700 0.032 0.000 1.182 465 E HN 0.350 nan 8.360 nan 0.000 0.418 466 N N 2.896 121.597 118.700 0.002 0.000 2.408 466 N HA 0.046 4.819 4.740 0.055 0.000 0.257 466 N C 0.325 175.779 175.510 -0.094 0.000 1.064 466 N CA 0.216 53.215 53.050 -0.086 0.000 0.952 466 N CB 1.123 39.604 38.487 -0.010 0.000 1.093 466 N HN 0.611 nan 8.380 nan 0.000 0.490 467 T N 2.416 116.878 114.554 -0.154 0.000 2.176 467 T HA -0.231 4.152 4.350 0.055 0.000 0.197 467 T C 0.119 174.786 174.700 -0.054 0.000 1.683 467 T CA 1.477 63.514 62.100 -0.104 0.000 1.094 467 T CB -0.183 68.614 68.868 -0.118 0.000 0.846 467 T HN 0.617 nan 8.240 nan 0.000 0.404 468 D N 0.498 120.871 120.400 -0.044 0.000 2.895 468 D HA 0.353 5.026 4.640 0.055 0.000 0.350 468 D C -0.016 176.281 176.300 -0.005 0.000 1.389 468 D CA 0.106 54.096 54.000 -0.017 0.000 0.812 468 D CB 0.483 41.274 40.800 -0.015 0.000 1.164 468 D HN 0.384 nan 8.370 nan 0.000 0.455 469 S N 0.203 115.901 115.700 -0.003 0.000 3.858 469 S HA -0.269 4.235 4.470 0.055 0.000 0.356 469 S C 1.256 175.864 174.600 0.013 0.000 1.013 469 S CA 0.413 58.624 58.200 0.017 0.000 1.083 469 S CB -1.432 61.795 63.200 0.045 0.000 0.883 469 S HN 0.496 nan 8.310 nan 0.000 0.475 470 A N 0.960 123.777 122.820 -0.005 0.000 2.248 470 A HA 0.487 4.840 4.320 0.055 0.000 0.210 470 A C 0.951 178.547 177.584 0.020 0.000 1.174 470 A CA 1.055 53.091 52.037 -0.001 0.000 0.750 470 A CB -0.550 18.438 19.000 -0.021 0.000 0.780 470 A HN 1.914 nan 8.150 nan 0.000 0.478 471 S N -2.253 113.467 115.700 0.033 0.000 2.881 471 S HA 0.267 4.771 4.470 0.055 0.000 0.852 471 S C 0.104 174.744 174.600 0.066 0.000 0.877 471 S CA 0.487 58.718 58.200 0.051 0.000 1.464 471 S CB -1.652 61.575 63.200 0.045 0.000 1.049 471 S HN 2.396 nan 8.310 nan 0.000 0.322 472 A N 2.049 124.918 122.820 0.080 0.000 2.171 472 A HA -0.054 4.299 4.320 0.055 0.000 0.261 472 A C -0.450 177.234 177.584 0.166 0.000 1.376 472 A CA 0.447 52.542 52.037 0.098 0.000 0.712 472 A CB -1.613 17.434 19.000 0.079 0.000 1.171 472 A HN 1.909 nan 8.150 nan 0.000 0.312 473 F N 4.117 124.053 119.950 -0.023 0.000 2.309 473 F HA 0.546 5.107 4.527 0.055 0.000 0.366 473 F C 0.037 175.814 175.800 -0.038 0.000 1.104 473 F CA -1.179 56.802 58.000 -0.033 0.000 1.179 473 F CB 0.888 39.858 39.000 -0.051 0.000 1.437 473 F HN 0.401 nan 8.300 nan 0.000 0.528 474 V N 7.543 127.407 119.914 -0.084 0.000 2.408 474 V HA 0.169 4.322 4.120 0.055 0.000 0.267 474 V C 0.870 176.749 176.094 -0.359 0.000 1.047 474 V CA -0.614 61.570 62.300 -0.193 0.000 0.937 474 V CB 0.656 32.460 31.823 -0.031 0.000 0.999 474 V HN 0.501 nan 8.190 nan 0.000 0.472 475 I N 7.386 127.676 120.570 -0.467 0.000 2.634 475 I HA 0.188 4.391 4.170 0.055 0.000 0.284 475 I C -1.824 174.203 176.117 -0.150 0.000 1.124 475 I CA -1.408 59.658 61.300 -0.391 0.000 1.417 475 I CB 1.081 38.876 38.000 -0.342 0.000 1.396 475 I HN 0.423 nan 8.210 nan 0.000 0.571 476 P HA 0.005 nan 4.420 nan 0.000 0.270 476 P C -1.222 176.065 177.300 -0.021 0.000 1.227 476 P CA -0.098 62.980 63.100 -0.036 0.000 0.788 476 P CB 0.417 32.111 31.700 -0.010 0.000 0.926 477 D N -0.053 120.337 120.400 -0.017 0.000 2.264 477 D HA 0.376 5.049 4.640 0.055 0.000 0.249 477 D C 1.478 177.779 176.300 0.001 0.000 1.070 477 D CA 0.623 54.619 54.000 -0.006 0.000 0.912 477 D CB 0.133 40.923 40.800 -0.016 0.000 1.193 477 D HN 0.613 nan 8.370 nan 0.000 0.427 478 G N 0.645 109.450 108.800 0.007 0.000 2.189 478 G HA2 -0.247 3.747 3.960 0.055 0.000 0.267 478 G HA3 -0.247 3.747 3.960 0.055 0.000 0.267 478 G C 0.563 175.470 174.900 0.011 0.000 0.975 478 G CA 0.317 45.421 45.100 0.006 0.000 0.644 478 G HN 0.882 nan 8.290 nan 0.000 0.537 479 A N -0.185 122.644 122.820 0.015 0.000 2.561 479 A HA 0.495 4.848 4.320 0.055 0.000 0.251 479 A C 0.626 178.226 177.584 0.027 0.000 1.062 479 A CA 1.431 53.480 52.037 0.021 0.000 0.761 479 A CB 0.234 19.246 19.000 0.019 0.000 0.986 479 A HN 0.819 nan 8.150 nan 0.000 0.510 480 K N 3.780 124.194 120.400 0.024 0.000 2.357 480 K HA 0.468 4.821 4.320 0.055 0.000 0.251 480 K C -1.032 175.586 176.600 0.030 0.000 1.069 480 K CA 0.027 56.328 56.287 0.023 0.000 0.994 480 K CB -0.096 32.414 32.500 0.016 0.000 1.411 480 K HN 0.608 nan 8.250 nan 0.000 0.450 481 L N 3.548 124.795 121.223 0.040 0.000 2.278 481 L HA 0.366 4.740 4.340 0.055 0.000 0.287 481 L C -0.170 176.724 176.870 0.039 0.000 1.072 481 L CA -0.678 54.190 54.840 0.046 0.000 0.819 481 L CB 0.682 42.780 42.059 0.065 0.000 1.176 481 L HN 0.603 nan 8.230 nan 0.000 0.435 482 N N 2.127 120.848 118.700 0.034 0.000 2.410 482 N HA 0.190 4.963 4.740 0.055 0.000 0.287 482 N C -0.600 174.926 175.510 0.028 0.000 1.044 482 N CA -0.397 52.669 53.050 0.028 0.000 0.881 482 N CB 1.119 39.618 38.487 0.021 0.000 1.405 482 N HN 0.397 nan 8.380 nan 0.000 0.490 483 D N 0.714 121.131 120.400 0.027 0.000 2.702 483 D HA -0.202 4.471 4.640 0.055 0.000 0.233 483 D C -0.666 175.651 176.300 0.028 0.000 1.164 483 D CA 1.267 55.282 54.000 0.025 0.000 0.638 483 D CB -0.739 40.072 40.800 0.019 0.000 1.041 483 D HN 0.562 nan 8.370 nan 0.000 0.422 484 T N -1.823 112.752 114.554 0.035 0.000 2.858 484 T HA 0.619 5.003 4.350 0.055 0.000 0.285 484 T C -0.626 174.101 174.700 0.045 0.000 1.052 484 T CA -0.290 61.833 62.100 0.038 0.000 1.009 484 T CB 1.873 70.766 68.868 0.042 0.000 1.241 484 T HN -0.129 nan 8.240 nan 0.000 0.542 485 T N 2.107 116.689 114.554 0.046 0.000 2.934 485 T HA 0.674 5.057 4.350 0.055 0.000 0.328 485 T C -0.389 174.351 174.700 0.068 0.000 1.068 485 T CA -0.412 61.720 62.100 0.052 0.000 1.018 485 T CB 0.565 69.455 68.868 0.036 0.000 1.009 485 T HN 0.834 nan 8.240 nan 0.000 0.471 486 A N 3.059 125.941 122.820 0.103 0.000 2.363 486 A HA 0.827 5.180 4.320 0.055 0.000 0.270 486 A C 0.233 177.946 177.584 0.215 0.000 1.121 486 A CA -0.281 51.857 52.037 0.169 0.000 0.800 486 A CB 0.447 19.559 19.000 0.187 0.000 1.052 486 A HN 0.699 nan 8.150 nan 0.000 0.493 487 S N 1.279 117.053 115.700 0.124 0.000 2.615 487 S HA 0.766 5.269 4.470 0.055 0.000 0.269 487 S C -2.828 171.505 174.600 -0.445 0.000 1.161 487 S CA -0.604 57.463 58.200 -0.221 0.000 0.817 487 S CB 1.916 65.026 63.200 -0.151 0.000 1.131 487 S HN 0.828 nan 8.310 nan 0.000 0.467 488 P HA 0.000 nan 4.420 nan 0.000 0.216 488 P CA 0.000 62.782 63.100 -0.530 0.000 0.800 488 P CB 0.000 31.231 31.700 -0.782 0.000 0.726