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 1yiz_1_A DATA FIRST_RESID 12 DATA SEQUENCE KFDLPKRYQG STKSVWVEYI QLAAQYKPLN LGQGFPDYHA PKYALNALAA DATA SEQUENCE AANSPDPLAN QYTRGFGHPR LVQALSKLYS QLVDRTINPM TEVLVTVGAY DATA SEQUENCE EALYATIQGH VDEGDEVIII EPFFDCYEPM VKAAGGIPRF IPLKPNKTGG DATA SEQUENCE TISSADWVLD NNELEALFNE KTKMIIINTP HNPLGKVMDR AELEVVANLC DATA SEQUENCE KKWNVLCVSD EVYEHMVFEP FEHIRICTLP GMWERTITIG SAGXTFSLTG DATA SEQUENCE WKIGWAYGPE ALLKNLQMVH QNCVYTCATP IQEAIAVGFE TELKRLKSPE DATA SEQUENCE CYFNSISGEL MAKRDYMASF LAEVGMNPTV PQGGYFMVAD WSSLDSKVDL DATA SEQUENCE TQETDARKDY RFTKWMTKSV GLQGIPPSAF YSEPNKHLGE DFVRYCFFKK DATA SEQUENCE DENLQKAAEI LRKWKGSS 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 12 K HA 0.000 nan 4.320 nan 0.000 0.191 12 K C 0.000 176.707 176.600 0.178 0.000 0.988 12 K CA 0.000 56.346 56.287 0.099 0.000 0.838 12 K CB 0.000 32.544 32.500 0.074 0.000 1.064 13 F N 5.190 125.146 119.950 0.011 0.000 2.456 13 F HA 0.180 4.706 4.527 -0.001 0.000 0.358 13 F C 0.711 176.521 175.800 0.016 0.000 1.095 13 F CA -0.597 57.410 58.000 0.012 0.000 1.216 13 F CB 0.691 39.697 39.000 0.011 0.000 1.125 13 F HN 0.930 nan 8.300 nan 0.000 0.549 14 D N 5.446 126.016 120.400 0.284 0.000 2.277 14 D HA 0.057 4.697 4.640 -0.000 0.000 0.279 14 D C 0.416 176.556 176.300 -0.266 0.000 1.197 14 D CA -0.326 53.687 54.000 0.021 0.000 1.037 14 D CB 0.050 40.911 40.800 0.103 0.000 1.128 14 D HN 0.449 nan 8.370 nan 0.000 0.531 15 L N 0.412 121.542 121.223 -0.154 0.000 2.503 15 L HA -0.036 4.304 4.340 -0.000 0.000 0.287 15 L C -1.177 175.471 176.870 -0.371 0.000 1.252 15 L CA -0.936 53.797 54.840 -0.178 0.000 0.835 15 L CB -0.131 41.899 42.059 -0.048 0.000 1.099 15 L HN 0.287 nan 8.230 nan 0.000 0.516 16 P HA -0.144 nan 4.420 nan 0.000 0.210 16 P C -0.894 176.347 177.300 -0.098 0.000 1.189 16 P CA 1.478 64.382 63.100 -0.326 0.000 0.920 16 P CB 0.193 31.797 31.700 -0.161 0.000 0.782 17 K N -4.060 116.360 120.400 0.034 0.000 2.517 17 K HA 0.460 4.780 4.320 -0.000 0.000 0.256 17 K C -0.486 176.186 176.600 0.121 0.000 1.588 17 K CA -0.664 55.682 56.287 0.098 0.000 0.828 17 K CB -0.196 32.376 32.500 0.120 0.000 1.398 17 K HN -0.272 nan 8.250 nan 0.000 0.448 18 R N -0.357 120.203 120.500 0.100 0.000 3.872 18 R HA -0.202 4.138 4.340 -0.000 0.000 0.341 18 R C -1.461 174.904 176.300 0.109 0.000 1.172 18 R CA 0.932 57.083 56.100 0.084 0.000 0.901 18 R CB -2.437 27.906 30.300 0.071 0.000 1.422 18 R HN 0.744 nan 8.270 nan 0.000 0.523 19 Y N 0.023 120.326 120.300 0.004 0.000 2.567 19 Y HA 0.477 5.026 4.550 -0.002 0.000 0.333 19 Y C 0.018 175.921 175.900 0.005 0.000 1.106 19 Y CA -0.876 57.230 58.100 0.011 0.000 1.157 19 Y CB 1.250 39.717 38.460 0.011 0.000 1.277 19 Y HN 0.092 nan 8.280 nan 0.000 0.490 20 Q N 1.967 121.639 119.800 -0.213 0.000 2.377 20 Q HA 0.383 4.723 4.340 -0.000 0.000 0.249 20 Q C -0.003 176.107 176.000 0.184 0.000 1.005 20 Q CA -0.275 55.503 55.803 -0.041 0.000 0.912 20 Q CB 0.943 29.590 28.738 -0.151 0.000 1.223 20 Q HN 0.806 nan 8.270 nan 0.000 0.459 21 G N 1.821 110.704 108.800 0.139 0.000 2.588 21 G HA2 0.083 4.043 3.960 -0.000 0.000 0.297 21 G HA3 0.083 4.043 3.960 -0.000 0.000 0.297 21 G C -0.037 174.917 174.900 0.091 0.000 0.874 21 G CA -0.561 44.609 45.100 0.118 0.000 1.607 21 G HN 0.560 nan 8.290 nan 0.000 0.486 22 S N 1.472 117.246 115.700 0.124 0.000 3.122 22 S HA 0.039 4.508 4.470 -0.000 0.000 0.249 22 S C 2.203 176.844 174.600 0.070 0.000 1.334 22 S CA 0.296 58.552 58.200 0.093 0.000 1.251 22 S CB -0.145 63.130 63.200 0.125 0.000 1.034 22 S HN 0.828 nan 8.310 nan 0.000 0.478 23 T N -0.619 113.966 114.554 0.051 0.000 3.072 23 T HA 0.027 4.377 4.350 -0.000 0.000 0.266 23 T C 1.201 175.916 174.700 0.026 0.000 1.127 23 T CA 0.669 62.792 62.100 0.038 0.000 1.107 23 T CB -0.184 68.700 68.868 0.027 0.000 0.910 23 T HN 0.305 nan 8.240 nan 0.000 0.513 24 K N 1.717 122.126 120.400 0.015 0.000 2.525 24 K HA 0.240 4.559 4.320 -0.000 0.000 0.192 24 K C 0.906 177.491 176.600 -0.026 0.000 1.029 24 K CA -0.092 56.195 56.287 -0.000 0.000 1.029 24 K CB -0.040 32.451 32.500 -0.015 0.000 0.814 24 K HN 0.222 nan 8.250 nan 0.000 0.503 25 S N 1.312 116.994 115.700 -0.030 0.000 2.811 25 S HA -0.039 4.431 4.470 -0.000 0.000 0.325 25 S C 1.469 175.954 174.600 -0.193 0.000 1.224 25 S CA -0.474 57.652 58.200 -0.122 0.000 1.125 25 S CB 0.048 63.243 63.200 -0.008 0.000 0.867 25 S HN 0.209 nan 8.310 nan 0.000 0.512 26 V N 4.817 124.470 119.914 -0.434 0.000 2.469 26 V HA -0.205 3.915 4.120 -0.000 0.000 0.251 26 V C 1.737 177.784 176.094 -0.079 0.000 1.064 26 V CA 1.681 63.790 62.300 -0.318 0.000 1.066 26 V CB -1.590 29.826 31.823 -0.677 0.000 0.667 26 V HN 0.996 nan 8.190 nan 0.000 0.461 27 W N 0.231 121.623 121.300 0.153 0.000 2.338 27 W HA -0.104 4.556 4.660 -0.001 0.000 0.304 27 W C 2.707 179.323 176.519 0.162 0.000 1.212 27 W CA 0.983 58.420 57.345 0.153 0.000 1.264 27 W CB -0.976 28.557 29.460 0.122 0.000 1.142 27 W HN 0.130 nan 8.180 nan 0.000 0.512 28 V N 2.316 122.404 119.914 0.290 0.000 2.295 28 V HA -0.310 3.810 4.120 -0.000 0.000 0.246 28 V C 2.307 178.489 176.094 0.147 0.000 1.049 28 V CA 2.730 65.147 62.300 0.195 0.000 1.024 28 V CB -0.642 31.261 31.823 0.132 0.000 0.648 28 V HN 0.398 nan 8.190 nan 0.000 0.447 29 E N -1.812 118.459 120.200 0.119 0.000 2.208 29 E HA -0.246 4.104 4.350 -0.000 0.000 0.193 29 E C 2.012 178.569 176.600 -0.073 0.000 0.988 29 E CA 1.639 58.047 56.400 0.012 0.000 0.828 29 E CB -0.562 29.122 29.700 -0.028 0.000 0.763 29 E HN 0.737 nan 8.360 nan 0.000 0.478 30 Y N 1.022 121.368 120.300 0.078 0.000 2.365 30 Y HA 0.090 4.640 4.550 -0.000 0.000 0.293 30 Y C 2.228 178.190 175.900 0.103 0.000 1.119 30 Y CA 0.629 58.775 58.100 0.076 0.000 1.203 30 Y CB 0.146 38.658 38.460 0.087 0.000 1.026 30 Y HN -0.006 nan 8.280 nan 0.000 0.549 31 I N -0.096 120.625 120.570 0.252 0.000 2.226 31 I HA -0.350 3.820 4.170 -0.000 0.000 0.245 31 I C 2.452 178.637 176.117 0.113 0.000 1.100 31 I CA 1.662 63.071 61.300 0.182 0.000 1.374 31 I CB -0.343 37.770 38.000 0.189 0.000 1.057 31 I HN 0.288 nan 8.210 nan 0.000 0.413 32 Q N 1.016 120.865 119.800 0.082 0.000 2.084 32 Q HA -0.252 4.088 4.340 -0.000 0.000 0.202 32 Q C 2.275 178.299 176.000 0.040 0.000 0.978 32 Q CA 1.605 57.434 55.803 0.044 0.000 0.844 32 Q CB -0.106 28.647 28.738 0.025 0.000 0.898 32 Q HN 0.405 nan 8.270 nan 0.000 0.426 33 L N 0.447 121.683 121.223 0.022 0.000 2.017 33 L HA -0.099 4.241 4.340 -0.000 0.000 0.208 33 L C 2.224 179.182 176.870 0.146 0.000 1.073 33 L CA 2.263 57.141 54.840 0.064 0.000 0.745 33 L CB -0.830 41.158 42.059 -0.118 0.000 0.894 33 L HN 0.288 nan 8.230 nan 0.000 0.432 34 A N -0.637 122.247 122.820 0.107 0.000 1.930 34 A HA -0.057 4.263 4.320 -0.000 0.000 0.217 34 A C 2.430 180.060 177.584 0.078 0.000 1.175 34 A CA 1.604 53.704 52.037 0.105 0.000 0.627 34 A CB -1.109 17.952 19.000 0.101 0.000 0.815 34 A HN 0.574 nan 8.150 nan 0.000 0.443 35 A N -1.122 121.733 122.820 0.057 0.000 1.933 35 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 35 A C 2.119 179.688 177.584 -0.026 0.000 1.175 35 A CA 1.953 54.002 52.037 0.020 0.000 0.628 35 A CB -0.401 18.609 19.000 0.017 0.000 0.814 35 A HN 0.536 nan 8.150 nan 0.000 0.444 36 Q N -2.123 117.652 119.800 -0.042 0.000 2.187 36 Q HA -0.028 4.312 4.340 -0.000 0.000 0.199 36 Q C 1.033 176.791 176.000 -0.403 0.000 0.957 36 Q CA 1.490 57.159 55.803 -0.225 0.000 0.857 36 Q CB -0.157 28.415 28.738 -0.276 0.000 0.929 36 Q HN 0.787 nan 8.270 nan 0.000 0.453 37 Y N -0.541 119.725 120.300 -0.056 0.000 2.444 37 Y HA 0.313 4.863 4.550 -0.000 0.000 0.249 37 Y C -0.200 175.661 175.900 -0.064 0.000 1.134 37 Y CA -0.322 57.735 58.100 -0.072 0.000 1.261 37 Y CB 0.646 39.045 38.460 -0.100 0.000 1.143 37 Y HN -0.176 nan 8.280 nan 0.000 0.523 38 K N 1.384 121.825 120.400 0.069 0.000 3.490 38 K HA -0.184 4.136 4.320 -0.000 0.000 0.273 38 K C -2.724 173.891 176.600 0.024 0.000 0.916 38 K CA 0.048 56.355 56.287 0.033 0.000 0.718 38 K CB -1.124 31.377 32.500 0.003 0.000 1.477 38 K HN 0.308 nan 8.250 nan 0.000 0.452 39 P HA 0.067 nan 4.420 nan 0.000 0.279 39 P C -0.068 177.221 177.300 -0.017 0.000 1.276 39 P CA -0.741 62.349 63.100 -0.017 0.000 0.801 39 P CB 0.677 32.354 31.700 -0.039 0.000 1.127 40 L N 1.681 122.880 121.223 -0.040 0.000 2.565 40 L HA 0.080 4.420 4.340 -0.000 0.000 0.275 40 L C 0.481 177.347 176.870 -0.007 0.000 1.137 40 L CA -0.045 54.778 54.840 -0.029 0.000 0.915 40 L CB -0.723 41.304 42.059 -0.053 0.000 1.232 40 L HN 0.289 nan 8.230 nan 0.000 0.473 41 N N 4.932 123.637 118.700 0.009 0.000 2.406 41 N HA 0.121 4.860 4.740 -0.000 0.000 0.251 41 N C 0.002 175.536 175.510 0.039 0.000 1.069 41 N CA -0.272 52.794 53.050 0.026 0.000 0.947 41 N CB 1.212 39.705 38.487 0.010 0.000 1.111 41 N HN 0.540 nan 8.380 nan 0.000 0.497 42 L N 2.738 124.024 121.223 0.105 0.000 2.910 42 L HA 0.405 4.745 4.340 -0.000 0.000 0.252 42 L C 1.582 178.583 176.870 0.218 0.000 1.195 42 L CA 0.092 55.042 54.840 0.184 0.000 1.003 42 L CB 0.403 42.624 42.059 0.270 0.000 1.328 42 L HN 0.678 nan 8.230 nan 0.000 0.540 43 G N -2.165 106.706 108.800 0.119 0.000 3.192 43 G HA2 0.010 3.970 3.960 -0.000 0.000 0.239 43 G HA3 0.010 3.970 3.960 -0.000 0.000 0.239 43 G C 1.130 176.039 174.900 0.015 0.000 1.084 43 G CA -0.089 45.074 45.100 0.106 0.000 0.784 43 G HN 0.273 nan 8.290 nan 0.000 0.540 44 Q N 0.050 119.750 119.800 -0.166 0.000 1.993 44 Q HA 0.124 4.464 4.340 -0.000 0.000 0.202 44 Q C 1.866 177.578 176.000 -0.480 0.000 0.984 44 Q CA 1.358 56.858 55.803 -0.505 0.000 0.837 44 Q CB -0.082 27.996 28.738 -1.100 0.000 0.902 44 Q HN 0.513 nan 8.270 nan 0.000 0.423 45 G N -0.026 108.572 108.800 -0.337 0.000 2.135 45 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.183 45 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.183 45 G C -0.298 174.552 174.900 -0.082 0.000 1.004 45 G CA 0.137 45.250 45.100 0.022 0.000 0.677 45 G HN 0.297 nan 8.290 nan 0.000 0.512 46 F N -2.172 117.624 119.950 -0.255 0.000 2.686 46 F HA 0.859 5.386 4.527 -0.001 0.000 0.311 46 F C -2.774 172.632 175.800 -0.657 0.000 1.128 46 F CA -3.097 54.655 58.000 -0.413 0.000 0.946 46 F CB 0.527 39.373 39.000 -0.257 0.000 1.336 46 F HN -0.026 nan 8.300 nan 0.000 0.457 47 P HA 0.154 nan 4.420 nan 0.000 0.275 47 P C -0.490 176.508 177.300 -0.503 0.000 1.228 47 P CA -0.018 62.354 63.100 -1.212 0.000 0.786 47 P CB 1.026 31.541 31.700 -1.975 0.000 0.927 48 D N 0.431 120.623 120.400 -0.346 0.000 2.358 48 D HA 0.070 4.710 4.640 -0.000 0.000 0.224 48 D C 0.278 176.536 176.300 -0.070 0.000 1.123 48 D CA -0.184 53.749 54.000 -0.111 0.000 0.833 48 D CB -0.772 40.017 40.800 -0.019 0.000 0.946 48 D HN 0.418 nan 8.370 nan 0.000 0.505 49 Y N -2.392 117.723 120.300 -0.309 0.000 2.876 49 Y HA 0.551 5.101 4.550 0.000 0.000 0.317 49 Y C -0.105 175.550 175.900 -0.407 0.000 1.369 49 Y CA -1.602 56.292 58.100 -0.342 0.000 1.101 49 Y CB 0.409 38.777 38.460 -0.154 0.000 1.346 49 Y HN -0.218 nan 8.280 nan 0.000 0.505 50 H N 0.671 119.770 119.070 0.049 0.000 2.511 50 H HA 0.654 5.210 4.556 -0.000 0.000 0.346 50 H C -0.164 175.085 175.328 -0.132 0.000 1.128 50 H CA -0.017 55.985 56.048 -0.076 0.000 1.342 50 H CB 1.701 31.451 29.762 -0.020 0.000 1.470 50 H HN 0.937 nan 8.280 nan 0.000 0.546 51 A N 3.693 126.453 122.820 -0.099 0.000 2.296 51 A HA 0.302 4.622 4.320 -0.000 0.000 0.264 51 A C -2.032 175.395 177.584 -0.262 0.000 1.097 51 A CA -1.421 50.489 52.037 -0.212 0.000 0.811 51 A CB -0.600 18.214 19.000 -0.310 0.000 1.072 51 A HN 0.471 nan 8.150 nan 0.000 0.495 52 P HA 0.005 nan 4.420 nan 0.000 0.260 52 P C 0.361 177.382 177.300 -0.465 0.000 1.172 52 P CA 0.279 63.064 63.100 -0.526 0.000 0.760 52 P CB 0.450 31.572 31.700 -0.964 0.000 0.773 53 K N 4.661 124.926 120.400 -0.225 0.000 2.152 53 K HA -0.207 4.113 4.320 -0.000 0.000 0.206 53 K C 1.730 178.261 176.600 -0.115 0.000 1.048 53 K CA 1.760 57.967 56.287 -0.134 0.000 0.933 53 K CB -1.166 31.308 32.500 -0.045 0.000 0.721 53 K HN 0.561 nan 8.250 nan 0.000 0.447 54 Y N -1.663 118.587 120.300 -0.083 0.000 2.207 54 Y HA -0.018 4.532 4.550 -0.000 0.000 0.287 54 Y C 1.915 177.771 175.900 -0.073 0.000 1.156 54 Y CA 0.989 59.046 58.100 -0.073 0.000 1.182 54 Y CB -1.091 37.320 38.460 -0.081 0.000 0.979 54 Y HN 0.010 nan 8.280 nan 0.000 0.521 55 A N 1.684 124.150 122.820 -0.590 0.000 1.854 55 A HA -0.044 4.276 4.320 -0.000 0.000 0.214 55 A C 2.287 179.866 177.584 -0.008 0.000 1.192 55 A CA 1.710 53.513 52.037 -0.390 0.000 0.611 55 A CB -1.170 17.381 19.000 -0.750 0.000 0.832 55 A HN 0.535 nan 8.150 nan 0.000 0.442 56 L N -0.173 121.002 121.223 -0.080 0.000 2.012 56 L HA -0.264 4.076 4.340 -0.000 0.000 0.210 56 L C 2.319 179.234 176.870 0.076 0.000 1.073 56 L CA 1.890 56.779 54.840 0.082 0.000 0.748 56 L CB -0.843 41.207 42.059 -0.014 0.000 0.891 56 L HN 0.490 nan 8.230 nan 0.000 0.431 57 N N -0.219 118.494 118.700 0.022 0.000 2.223 57 N HA -0.167 4.573 4.740 -0.000 0.000 0.185 57 N C 1.925 177.460 175.510 0.042 0.000 1.016 57 N CA 0.885 53.951 53.050 0.027 0.000 0.863 57 N CB -0.147 38.357 38.487 0.028 0.000 0.983 57 N HN 0.354 nan 8.380 nan 0.000 0.429 58 A N 1.417 124.278 122.820 0.068 0.000 1.902 58 A HA -0.094 4.226 4.320 -0.000 0.000 0.217 58 A C 2.128 179.724 177.584 0.020 0.000 1.181 58 A CA 0.795 52.869 52.037 0.062 0.000 0.623 58 A CB -0.618 18.439 19.000 0.094 0.000 0.818 58 A HN 0.261 nan 8.150 nan 0.000 0.443 59 L N -0.719 120.522 121.223 0.030 0.000 2.017 59 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 59 L C 2.966 179.791 176.870 -0.075 0.000 1.073 59 L CA 1.527 56.301 54.840 -0.111 0.000 0.745 59 L CB -0.574 41.393 42.059 -0.152 0.000 0.894 59 L HN 0.447 nan 8.230 nan 0.000 0.432 60 A N -0.198 122.609 122.820 -0.021 0.000 1.908 60 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 60 A C 2.410 179.977 177.584 -0.028 0.000 1.181 60 A CA 1.870 53.893 52.037 -0.025 0.000 0.627 60 A CB -0.788 18.207 19.000 -0.008 0.000 0.818 60 A HN 0.556 nan 8.150 nan 0.000 0.445 61 A N -0.382 122.428 122.820 -0.016 0.000 1.933 61 A HA 0.196 4.516 4.320 -0.000 0.000 0.218 61 A C 2.460 180.030 177.584 -0.023 0.000 1.175 61 A CA 1.954 53.983 52.037 -0.013 0.000 0.628 61 A CB -0.871 18.130 19.000 0.002 0.000 0.814 61 A HN 1.045 nan 8.150 nan 0.000 0.444 62 A N -0.154 122.642 122.820 -0.041 0.000 1.930 62 A HA 0.219 4.539 4.320 -0.000 0.000 0.217 62 A C 2.464 180.010 177.584 -0.064 0.000 1.175 62 A CA 1.820 53.823 52.037 -0.056 0.000 0.627 62 A CB -0.901 18.044 19.000 -0.092 0.000 0.815 62 A HN 1.006 nan 8.150 nan 0.000 0.443 63 A N -0.098 122.679 122.820 -0.073 0.000 1.972 63 A HA -0.128 4.192 4.320 -0.000 0.000 0.219 63 A C 1.628 179.183 177.584 -0.048 0.000 1.169 63 A CA 1.565 53.561 52.037 -0.068 0.000 0.635 63 A CB -0.387 18.571 19.000 -0.070 0.000 0.810 63 A HN 0.483 nan 8.150 nan 0.000 0.446 64 N N 0.034 118.712 118.700 -0.037 0.000 2.268 64 N HA 0.059 4.799 4.740 -0.000 0.000 0.204 64 N C 0.240 175.738 175.510 -0.021 0.000 1.124 64 N CA 0.287 53.321 53.050 -0.026 0.000 0.838 64 N CB 0.143 38.617 38.487 -0.021 0.000 0.994 64 N HN 0.349 nan 8.380 nan 0.000 0.489 65 S N 1.954 117.641 115.700 -0.022 0.000 2.560 65 S HA 0.115 4.585 4.470 -0.000 0.000 0.284 65 S C -1.034 173.560 174.600 -0.010 0.000 1.327 65 S CA -0.905 57.287 58.200 -0.013 0.000 1.055 65 S CB 0.877 64.071 63.200 -0.010 0.000 0.868 65 S HN 0.142 nan 8.310 nan 0.000 0.506 66 P HA 0.061 nan 4.420 nan 0.000 0.237 66 P C -0.225 177.074 177.300 -0.002 0.000 1.178 66 P CA 0.288 63.386 63.100 -0.004 0.000 0.766 66 P CB -0.147 31.552 31.700 -0.001 0.000 0.876 67 D N 1.183 121.584 120.400 0.001 0.000 2.313 67 D HA 0.122 4.762 4.640 -0.000 0.000 0.239 67 D C -1.559 174.741 176.300 -0.000 0.000 1.142 67 D CA -2.491 51.513 54.000 0.005 0.000 0.847 67 D CB 1.258 42.068 40.800 0.016 0.000 1.082 67 D HN -0.074 nan 8.370 nan 0.000 0.480 68 P HA -0.079 nan 4.420 nan 0.000 0.220 68 P C 1.194 178.488 177.300 -0.010 0.000 1.148 68 P CA 0.366 63.460 63.100 -0.010 0.000 0.803 68 P CB 0.299 31.994 31.700 -0.009 0.000 0.782 69 L N -0.862 120.364 121.223 0.006 0.000 2.610 69 L HA 0.105 4.445 4.340 -0.000 0.000 0.232 69 L C 2.287 179.166 176.870 0.016 0.000 1.149 69 L CA 0.612 55.462 54.840 0.016 0.000 0.872 69 L CB -1.748 40.335 42.059 0.039 0.000 0.992 69 L HN -0.082 nan 8.230 nan 0.000 0.447 70 A N -0.273 122.549 122.820 0.003 0.000 2.019 70 A HA -0.156 4.164 4.320 -0.000 0.000 0.219 70 A C 1.625 179.177 177.584 -0.053 0.000 1.164 70 A CA 1.665 53.695 52.037 -0.011 0.000 0.644 70 A CB -0.464 18.527 19.000 -0.015 0.000 0.805 70 A HN 0.528 nan 8.150 nan 0.000 0.449 71 N N -0.821 117.845 118.700 -0.057 0.000 2.291 71 N HA 0.147 4.887 4.740 -0.000 0.000 0.244 71 N C -0.384 175.067 175.510 -0.098 0.000 1.216 71 N CA -0.138 52.862 53.050 -0.083 0.000 0.879 71 N CB 0.601 39.040 38.487 -0.081 0.000 1.167 71 N HN 0.294 nan 8.380 nan 0.000 0.515 72 Q N -0.272 119.481 119.800 -0.077 0.000 2.333 72 Q HA 0.300 4.640 4.340 -0.000 0.000 0.266 72 Q C -0.469 175.511 176.000 -0.033 0.000 1.053 72 Q CA -0.732 55.002 55.803 -0.114 0.000 0.890 72 Q CB 0.446 29.144 28.738 -0.068 0.000 1.337 72 Q HN 0.174 nan 8.270 nan 0.000 0.474 73 Y N 0.522 120.844 120.300 0.036 0.000 2.969 73 Y HA -0.030 4.520 4.550 0.001 0.000 0.339 73 Y C 1.155 177.093 175.900 0.063 0.000 1.272 73 Y CA 0.855 58.992 58.100 0.063 0.000 1.577 73 Y CB -0.094 38.432 38.460 0.109 0.000 1.234 73 Y HN 0.353 nan 8.280 nan 0.000 0.590 74 T N 2.615 117.312 114.554 0.238 0.000 2.927 74 T HA 0.362 4.712 4.350 -0.000 0.000 0.286 74 T C 1.248 176.020 174.700 0.120 0.000 1.040 74 T CA -0.567 61.646 62.100 0.187 0.000 1.010 74 T CB 1.100 70.093 68.868 0.207 0.000 1.177 74 T HN 0.783 nan 8.240 nan 0.000 0.546 75 R N 0.704 121.268 120.500 0.105 0.000 2.401 75 R HA -0.164 4.175 4.340 -0.000 0.000 0.210 75 R C 1.425 177.654 176.300 -0.118 0.000 1.054 75 R CA 3.238 59.348 56.100 0.018 0.000 0.789 75 R CB -1.090 29.233 30.300 0.037 0.000 0.869 75 R HN 0.868 nan 8.270 nan 0.000 0.406 76 G N -3.303 105.395 108.800 -0.171 0.000 4.338 76 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.195 76 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.195 76 G C 0.587 175.515 174.900 0.046 0.000 1.164 76 G CA 0.090 44.962 45.100 -0.380 0.000 0.872 76 G HN 0.257 nan 8.290 nan 0.000 0.301 77 F N 2.700 122.640 119.950 -0.017 0.000 2.802 77 F HA 0.509 5.036 4.527 -0.000 0.000 0.300 77 F C 1.514 177.297 175.800 -0.028 0.000 1.168 77 F CA 0.391 58.366 58.000 -0.041 0.000 1.433 77 F CB 0.178 39.174 39.000 -0.006 0.000 1.115 77 F HN 0.654 nan 8.300 nan 0.000 0.582 78 G N -1.029 107.884 108.800 0.188 0.000 2.312 78 G HA2 -0.031 3.928 3.960 -0.000 0.000 0.322 78 G HA3 -0.031 3.928 3.960 -0.000 0.000 0.322 78 G C -1.115 173.896 174.900 0.185 0.000 1.645 78 G CA -1.098 44.109 45.100 0.177 0.000 0.919 78 G HN 0.221 nan 8.290 nan 0.000 0.699 79 H N 3.456 122.581 119.070 0.091 0.000 3.157 79 H HA 0.061 4.617 4.556 -0.001 0.000 0.299 79 H C -1.194 174.174 175.328 0.067 0.000 0.961 79 H CA -0.441 55.652 56.048 0.075 0.000 1.428 79 H CB 1.270 31.083 29.762 0.086 0.000 1.459 79 H HN 0.179 nan 8.280 nan 0.000 0.566 80 P HA -0.202 nan 4.420 nan 0.000 0.216 80 P C 1.532 178.721 177.300 -0.185 0.000 1.153 80 P CA 1.390 64.398 63.100 -0.154 0.000 0.858 80 P CB 0.022 31.631 31.700 -0.151 0.000 0.789 81 R N -0.647 119.630 120.500 -0.372 0.000 2.152 81 R HA -0.066 4.274 4.340 -0.000 0.000 0.232 81 R C 2.195 178.490 176.300 -0.009 0.000 1.117 81 R CA 0.855 56.857 56.100 -0.164 0.000 0.981 81 R CB -0.743 29.464 30.300 -0.156 0.000 0.870 81 R HN 0.219 nan 8.270 nan 0.000 0.451 82 L N 0.506 121.765 121.223 0.060 0.000 2.049 82 L HA -0.110 4.230 4.340 -0.000 0.000 0.203 82 L C 2.331 179.211 176.870 0.017 0.000 1.074 82 L CA 1.193 56.116 54.840 0.137 0.000 0.749 82 L CB -0.177 42.036 42.059 0.257 0.000 0.907 82 L HN 0.149 nan 8.230 nan 0.000 0.439 83 V N -3.033 116.889 119.914 0.015 0.000 2.515 83 V HA -0.212 3.908 4.120 -0.000 0.000 0.250 83 V C 2.382 178.439 176.094 -0.061 0.000 1.058 83 V CA 1.064 63.349 62.300 -0.025 0.000 1.064 83 V CB -0.792 31.046 31.823 0.025 0.000 0.675 83 V HN 0.449 nan 8.190 nan 0.000 0.461 84 Q N 1.205 120.978 119.800 -0.046 0.000 2.061 84 Q HA -0.104 4.236 4.340 -0.000 0.000 0.204 84 Q C 2.521 178.476 176.000 -0.075 0.000 0.984 84 Q CA 2.455 58.228 55.803 -0.050 0.000 0.846 84 Q CB -0.851 27.865 28.738 -0.037 0.000 0.902 84 Q HN 0.753 nan 8.270 nan 0.000 0.421 85 A N 0.558 123.334 122.820 -0.073 0.000 1.898 85 A HA -0.140 4.180 4.320 -0.000 0.000 0.216 85 A C 2.110 179.518 177.584 -0.294 0.000 1.181 85 A CA 0.988 52.967 52.037 -0.097 0.000 0.620 85 A CB -0.474 18.547 19.000 0.034 0.000 0.819 85 A HN 0.251 nan 8.150 nan 0.000 0.442 86 L N 0.116 121.099 121.223 -0.399 0.000 1.989 86 L HA -0.150 4.189 4.340 -0.000 0.000 0.211 86 L C 2.923 179.625 176.870 -0.279 0.000 1.071 86 L CA 2.382 56.901 54.840 -0.536 0.000 0.749 86 L CB -1.254 40.500 42.059 -0.508 0.000 0.890 86 L HN 0.514 nan 8.230 nan 0.000 0.431 87 S N -1.222 114.368 115.700 -0.182 0.000 2.382 87 S HA -0.214 4.256 4.470 -0.000 0.000 0.228 87 S C 2.191 176.713 174.600 -0.128 0.000 1.027 87 S CA 1.096 59.223 58.200 -0.122 0.000 0.991 87 S CB -0.154 63.003 63.200 -0.072 0.000 0.823 87 S HN 0.292 nan 8.310 nan 0.000 0.469 88 K N 0.411 120.731 120.400 -0.133 0.000 2.057 88 K HA -0.090 4.230 4.320 -0.000 0.000 0.207 88 K C 2.164 178.679 176.600 -0.142 0.000 1.049 88 K CA 1.487 57.708 56.287 -0.110 0.000 0.931 88 K CB -0.677 31.777 32.500 -0.077 0.000 0.714 88 K HN 0.477 nan 8.250 nan 0.000 0.440 89 L N 0.091 121.173 121.223 -0.236 0.000 1.988 89 L HA -0.161 4.178 4.340 -0.000 0.000 0.207 89 L C 2.125 178.772 176.870 -0.372 0.000 1.071 89 L CA 1.751 56.398 54.840 -0.322 0.000 0.744 89 L CB -0.856 40.880 42.059 -0.538 0.000 0.893 89 L HN 0.103 nan 8.230 nan 0.000 0.433 90 Y N -0.401 119.716 120.300 -0.304 0.000 2.352 90 Y HA -0.111 4.440 4.550 0.001 0.000 0.292 90 Y C 2.803 178.541 175.900 -0.269 0.000 1.136 90 Y CA 1.329 59.213 58.100 -0.360 0.000 1.227 90 Y CB -0.774 37.238 38.460 -0.746 0.000 0.991 90 Y HN 0.223 nan 8.280 nan 0.000 0.545 91 S N -0.428 115.207 115.700 -0.108 0.000 2.383 91 S HA -0.208 4.262 4.470 -0.000 0.000 0.229 91 S C 1.984 176.530 174.600 -0.090 0.000 1.030 91 S CA 1.210 59.346 58.200 -0.108 0.000 1.002 91 S CB -0.158 62.983 63.200 -0.099 0.000 0.829 91 S HN 0.462 nan 8.310 nan 0.000 0.467 92 Q N 0.282 120.033 119.800 -0.080 0.000 2.123 92 Q HA 0.090 4.430 4.340 -0.000 0.000 0.199 92 Q C 2.103 178.084 176.000 -0.032 0.000 0.966 92 Q CA 0.787 56.557 55.803 -0.054 0.000 0.845 92 Q CB -0.540 28.169 28.738 -0.047 0.000 0.907 92 Q HN 0.396 nan 8.270 nan 0.000 0.439 93 L N 0.098 121.304 121.223 -0.029 0.000 2.093 93 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 93 L C 2.218 179.126 176.870 0.062 0.000 1.085 93 L CA 1.212 56.069 54.840 0.029 0.000 0.755 93 L CB -0.794 41.297 42.059 0.053 0.000 0.904 93 L HN 0.148 nan 8.230 nan 0.000 0.435 94 V N -5.154 114.785 119.914 0.041 0.000 3.621 94 V HA 0.256 4.376 4.120 -0.000 0.000 0.285 94 V C 0.553 176.615 176.094 -0.054 0.000 1.346 94 V CA 0.184 62.507 62.300 0.038 0.000 1.104 94 V CB -0.250 31.625 31.823 0.086 0.000 0.913 94 V HN 0.396 nan 8.190 nan 0.000 0.432 95 D N 0.790 121.150 120.400 -0.067 0.000 2.699 95 D HA -0.197 4.443 4.640 -0.000 0.000 0.239 95 D C 0.074 176.284 176.300 -0.150 0.000 1.136 95 D CA 1.067 55.015 54.000 -0.086 0.000 0.668 95 D CB -0.905 39.861 40.800 -0.057 0.000 1.060 95 D HN 0.785 nan 8.370 nan 0.000 0.429 96 R N -0.721 119.658 120.500 -0.203 0.000 2.584 96 R HA 0.430 4.770 4.340 -0.000 0.000 0.276 96 R C -0.466 175.695 176.300 -0.232 0.000 1.046 96 R CA -0.441 55.481 56.100 -0.297 0.000 0.906 96 R CB 1.296 31.244 30.300 -0.587 0.000 1.215 96 R HN 0.118 nan 8.270 nan 0.000 0.449 97 T N 1.450 115.894 114.554 -0.184 0.000 2.743 97 T HA 0.340 4.689 4.350 -0.000 0.000 0.290 97 T C 0.497 175.133 174.700 -0.106 0.000 0.908 97 T CA -0.323 61.705 62.100 -0.120 0.000 1.092 97 T CB -0.239 68.581 68.868 -0.080 0.000 0.882 97 T HN 0.315 nan 8.240 nan 0.000 0.531 98 I N 4.249 124.771 120.570 -0.080 0.000 2.371 98 I HA 0.178 4.348 4.170 -0.000 0.000 0.290 98 I C 0.984 177.118 176.117 0.029 0.000 1.028 98 I CA -0.702 60.604 61.300 0.010 0.000 1.345 98 I CB 0.690 38.709 38.000 0.032 0.000 1.407 98 I HN 0.643 nan 8.210 nan 0.000 0.501 99 N N 9.426 128.168 118.700 0.071 0.000 2.438 99 N HA 0.065 4.805 4.740 -0.000 0.000 0.267 99 N C -1.615 173.926 175.510 0.052 0.000 1.222 99 N CA -1.346 51.737 53.050 0.055 0.000 0.930 99 N CB 1.285 39.815 38.487 0.072 0.000 1.083 99 N HN 0.324 nan 8.380 nan 0.000 0.476 100 P HA -0.113 nan 4.420 nan 0.000 0.220 100 P C 1.226 178.555 177.300 0.048 0.000 1.148 100 P CA 1.172 64.284 63.100 0.020 0.000 0.803 100 P CB 0.326 32.025 31.700 -0.001 0.000 0.782 101 M N -1.053 118.585 119.600 0.063 0.000 2.466 101 M HA 0.046 4.526 4.480 -0.000 0.000 0.265 101 M C 1.799 178.171 176.300 0.119 0.000 1.122 101 M CA 1.786 57.145 55.300 0.098 0.000 1.157 101 M CB -1.629 31.025 32.600 0.089 0.000 1.352 101 M HN 0.083 nan 8.290 nan 0.000 0.464 102 T N -3.353 111.253 114.554 0.086 0.000 2.985 102 T HA 0.217 4.567 4.350 -0.000 0.000 0.254 102 T C 1.006 175.731 174.700 0.042 0.000 1.021 102 T CA -0.010 62.129 62.100 0.066 0.000 0.957 102 T CB 0.201 69.111 68.868 0.071 0.000 1.047 102 T HN 0.373 nan 8.240 nan 0.000 0.511 103 E N 0.783 121.027 120.200 0.073 0.000 2.693 103 E HA 0.387 4.736 4.350 -0.000 0.000 0.214 103 E C -0.872 175.796 176.600 0.113 0.000 0.990 103 E CA -0.180 56.283 56.400 0.106 0.000 1.047 103 E CB 1.582 31.409 29.700 0.212 0.000 1.039 103 E HN 0.276 nan 8.360 nan 0.000 0.475 104 V N 1.862 121.816 119.914 0.068 0.000 2.686 104 V HA 0.362 4.482 4.120 -0.000 0.000 0.306 104 V C -1.253 174.864 176.094 0.037 0.000 1.065 104 V CA -0.978 61.367 62.300 0.074 0.000 0.894 104 V CB 2.383 34.233 31.823 0.045 0.000 1.004 104 V HN 0.067 nan 8.190 nan 0.000 0.424 105 L N 5.772 127.022 121.223 0.044 0.000 2.404 105 L HA 0.710 5.050 4.340 -0.000 0.000 0.272 105 L C -0.619 176.292 176.870 0.067 0.000 0.980 105 L CA -0.141 54.684 54.840 -0.024 0.000 0.836 105 L CB 1.920 43.888 42.059 -0.152 0.000 1.238 105 L HN 0.446 nan 8.230 nan 0.000 0.408 106 V N 4.025 123.986 119.914 0.078 0.000 2.583 106 V HA 0.699 4.819 4.120 -0.000 0.000 0.287 106 V C 0.520 176.644 176.094 0.050 0.000 1.051 106 V CA 0.189 62.598 62.300 0.181 0.000 1.010 106 V CB 1.324 33.287 31.823 0.233 0.000 0.988 106 V HN 0.954 nan 8.190 nan 0.000 0.478 107 T N 0.693 115.334 114.554 0.146 0.000 2.865 107 T HA 0.531 4.881 4.350 -0.000 0.000 0.294 107 T C -0.577 174.240 174.700 0.195 0.000 1.119 107 T CA -0.784 61.413 62.100 0.161 0.000 1.007 107 T CB 1.580 70.523 68.868 0.126 0.000 1.225 107 T HN 0.179 nan 8.240 nan 0.000 0.515 108 V N 2.376 122.418 119.914 0.214 0.000 2.324 108 V HA 0.516 4.636 4.120 -0.000 0.000 0.244 108 V C 1.415 177.597 176.094 0.146 0.000 1.144 108 V CA 0.898 63.298 62.300 0.166 0.000 1.158 108 V CB -1.233 30.676 31.823 0.143 0.000 1.254 108 V HN 1.506 nan 8.190 nan 0.000 0.492 109 G N 4.141 113.009 108.800 0.113 0.000 2.846 109 G HA2 0.073 4.033 3.960 -0.000 0.000 0.660 109 G HA3 0.073 4.033 3.960 -0.000 0.000 0.660 109 G C 0.762 175.670 174.900 0.012 0.000 1.464 109 G CA -0.169 44.968 45.100 0.061 0.000 0.891 109 G HN 1.186 nan 8.290 nan 0.000 0.552 110 A N -0.415 122.352 122.820 -0.090 0.000 2.024 110 A HA 0.004 4.324 4.320 -0.000 0.000 0.220 110 A C 2.035 179.635 177.584 0.027 0.000 1.164 110 A CA 2.597 54.554 52.037 -0.133 0.000 0.643 110 A CB -0.484 18.358 19.000 -0.264 0.000 0.806 110 A HN 1.394 nan 8.150 nan 0.000 0.451 111 Y N 0.135 120.453 120.300 0.029 0.000 2.128 111 Y HA -0.227 4.324 4.550 0.000 0.000 0.284 111 Y C 2.522 178.524 175.900 0.169 0.000 1.154 111 Y CA 2.331 60.522 58.100 0.153 0.000 1.149 111 Y CB -0.001 38.563 38.460 0.173 0.000 0.976 111 Y HN 0.458 nan 8.280 nan 0.000 0.505 112 E N -0.231 120.169 120.200 0.335 0.000 2.285 112 E HA -0.131 4.218 4.350 -0.000 0.000 0.194 112 E C 2.167 178.913 176.600 0.242 0.000 0.997 112 E CA 0.713 57.295 56.400 0.303 0.000 0.845 112 E CB -0.077 29.779 29.700 0.259 0.000 0.782 112 E HN 0.520 nan 8.360 nan 0.000 0.491 113 A N 1.455 124.358 122.820 0.138 0.000 1.877 113 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 113 A C 2.132 179.741 177.584 0.041 0.000 1.186 113 A CA 0.894 52.967 52.037 0.059 0.000 0.620 113 A CB -0.474 18.512 19.000 -0.024 0.000 0.822 113 A HN 0.256 nan 8.150 nan 0.000 0.443 114 L N -1.801 119.444 121.223 0.037 0.000 2.017 114 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 114 L C 2.411 179.317 176.870 0.059 0.000 1.073 114 L CA 2.060 56.907 54.840 0.011 0.000 0.745 114 L CB -1.754 40.313 42.059 0.014 0.000 0.894 114 L HN 0.612 nan 8.230 nan 0.000 0.432 115 Y N 0.712 121.023 120.300 0.018 0.000 2.128 115 Y HA -0.274 4.278 4.550 0.003 0.000 0.284 115 Y C 2.502 178.431 175.900 0.049 0.000 1.154 115 Y CA 1.896 60.029 58.100 0.055 0.000 1.149 115 Y CB -0.222 38.314 38.460 0.126 0.000 0.976 115 Y HN 0.149 nan 8.280 nan 0.000 0.505 116 A N -1.419 121.492 122.820 0.152 0.000 1.933 116 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 116 A C 2.333 179.889 177.584 -0.046 0.000 1.175 116 A CA 2.241 54.312 52.037 0.056 0.000 0.628 116 A CB -1.466 17.608 19.000 0.125 0.000 0.814 116 A HN 0.533 nan 8.150 nan 0.000 0.444 117 T N 0.151 114.688 114.554 -0.029 0.000 2.737 117 T HA -0.113 4.237 4.350 -0.000 0.000 0.265 117 T C 1.773 176.452 174.700 -0.036 0.000 1.038 117 T CA 1.786 63.880 62.100 -0.011 0.000 1.144 117 T CB -0.579 68.264 68.868 -0.040 0.000 0.866 117 T HN 0.565 nan 8.240 nan 0.000 0.434 118 I N 0.215 120.721 120.570 -0.107 0.000 2.353 118 I HA 0.138 4.308 4.170 -0.000 0.000 0.248 118 I C 2.444 178.453 176.117 -0.180 0.000 1.119 118 I CA 1.240 62.459 61.300 -0.135 0.000 1.417 118 I CB -1.116 36.795 38.000 -0.148 0.000 1.078 118 I HN 0.130 nan 8.210 nan 0.000 0.421 119 Q N 1.687 121.314 119.800 -0.288 0.000 2.167 119 Q HA 0.047 4.387 4.340 -0.000 0.000 0.202 119 Q C 2.159 178.038 176.000 -0.201 0.000 0.970 119 Q CA 1.950 57.569 55.803 -0.307 0.000 0.855 119 Q CB -0.713 27.715 28.738 -0.516 0.000 0.911 119 Q HN 0.621 nan 8.270 nan 0.000 0.438 120 G N -2.637 106.041 108.800 -0.202 0.000 2.939 120 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.210 120 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.210 120 G C 0.487 175.132 174.900 -0.424 0.000 1.160 120 G CA 0.088 45.019 45.100 -0.282 0.000 0.770 120 G HN 0.435 nan 8.290 nan 0.000 0.543 121 H N -1.845 117.160 119.070 -0.108 0.000 3.398 121 H HA 0.362 4.916 4.556 -0.002 0.000 0.260 121 H C -0.615 174.651 175.328 -0.104 0.000 1.189 121 H CA -0.260 55.727 56.048 -0.101 0.000 1.145 121 H CB 1.791 31.487 29.762 -0.111 0.000 1.599 121 H HN 0.081 nan 8.280 nan 0.000 0.615 122 V N 2.488 122.387 119.914 -0.024 0.000 2.407 122 V HA 0.225 4.345 4.120 -0.000 0.000 0.291 122 V C -0.562 175.493 176.094 -0.066 0.000 1.018 122 V CA -0.791 61.475 62.300 -0.057 0.000 0.842 122 V CB 1.632 33.400 31.823 -0.092 0.000 0.996 122 V HN 0.236 nan 8.190 nan 0.000 0.426 123 D N 2.390 122.757 120.400 -0.054 0.000 2.506 123 D HA 0.350 4.990 4.640 -0.000 0.000 0.254 123 D C -0.254 176.016 176.300 -0.050 0.000 1.089 123 D CA -0.741 53.230 54.000 -0.048 0.000 1.050 123 D CB 0.994 41.773 40.800 -0.036 0.000 1.221 123 D HN 0.421 nan 8.370 nan 0.000 0.589 124 E N 0.164 120.341 120.200 -0.039 0.000 2.558 124 E HA 0.247 4.597 4.350 -0.000 0.000 0.255 124 E C 1.061 177.636 176.600 -0.043 0.000 0.968 124 E CA 0.517 56.894 56.400 -0.038 0.000 0.939 124 E CB 0.325 30.009 29.700 -0.026 0.000 0.921 124 E HN 0.794 nan 8.360 nan 0.000 0.477 125 G N 3.594 112.362 108.800 -0.053 0.000 2.225 125 G HA2 -0.243 3.716 3.960 -0.000 0.000 0.254 125 G HA3 -0.243 3.716 3.960 -0.000 0.000 0.254 125 G C 0.020 174.877 174.900 -0.072 0.000 0.988 125 G CA 0.112 45.178 45.100 -0.057 0.000 0.625 125 G HN 0.536 nan 8.290 nan 0.000 0.527 126 D N 1.286 121.641 120.400 -0.076 0.000 2.424 126 D HA 0.397 5.037 4.640 -0.000 0.000 0.244 126 D C 0.667 176.892 176.300 -0.125 0.000 1.134 126 D CA 0.290 54.236 54.000 -0.090 0.000 0.881 126 D CB 0.993 41.745 40.800 -0.080 0.000 1.191 126 D HN 0.634 nan 8.370 nan 0.000 0.445 127 E N 1.225 121.337 120.200 -0.148 0.000 2.266 127 E HA 0.388 4.738 4.350 -0.000 0.000 0.277 127 E C -1.361 175.098 176.600 -0.235 0.000 1.018 127 E CA -0.678 55.602 56.400 -0.200 0.000 0.840 127 E CB 0.955 30.525 29.700 -0.217 0.000 1.082 127 E HN 0.055 nan 8.360 nan 0.000 0.395 128 V N 6.235 125.981 119.914 -0.280 0.000 2.482 128 V HA 0.266 4.386 4.120 -0.000 0.000 0.295 128 V C -0.051 175.817 176.094 -0.377 0.000 1.026 128 V CA -0.820 61.298 62.300 -0.304 0.000 0.856 128 V CB 1.101 32.761 31.823 -0.271 0.000 1.001 128 V HN 0.703 nan 8.190 nan 0.000 0.424 129 I N 3.856 124.193 120.570 -0.389 0.000 2.396 129 I HA 0.686 4.856 4.170 -0.000 0.000 0.292 129 I C -0.606 175.337 176.117 -0.290 0.000 0.999 129 I CA 0.257 61.327 61.300 -0.384 0.000 1.310 129 I CB 0.895 38.631 38.000 -0.440 0.000 1.404 129 I HN 0.475 nan 8.210 nan 0.000 0.496 130 I N 6.998 127.408 120.570 -0.267 0.000 2.465 130 I HA 0.415 4.585 4.170 -0.000 0.000 0.291 130 I C -0.458 175.741 176.117 0.136 0.000 1.014 130 I CA -0.623 60.621 61.300 -0.093 0.000 1.093 130 I CB 1.966 39.840 38.000 -0.209 0.000 1.267 130 I HN 0.564 nan 8.210 nan 0.000 0.431 131 I N 5.749 126.451 120.570 0.219 0.000 2.342 131 I HA 0.208 4.378 4.170 -0.000 0.000 0.291 131 I C 0.126 176.457 176.117 0.356 0.000 1.010 131 I CA -0.286 61.165 61.300 0.252 0.000 1.308 131 I CB 0.833 38.950 38.000 0.195 0.000 1.400 131 I HN 0.557 nan 8.210 nan 0.000 0.488 132 E N 7.642 128.001 120.200 0.265 0.000 2.242 132 E HA 0.333 4.683 4.350 -0.000 0.000 0.275 132 E C -2.399 174.112 176.600 -0.148 0.000 1.002 132 E CA -1.933 54.489 56.400 0.038 0.000 0.841 132 E CB 0.724 30.368 29.700 -0.093 0.000 1.109 132 E HN 0.284 nan 8.360 nan 0.000 0.394 133 P HA 0.004 nan 4.420 nan 0.000 0.271 133 P C -1.071 176.160 177.300 -0.115 0.000 1.216 133 P CA 0.110 62.873 63.100 -0.562 0.000 0.771 133 P CB 0.119 31.602 31.700 -0.362 0.000 0.864 134 F N 1.135 121.043 119.950 -0.069 0.000 2.470 134 F HA 0.575 5.104 4.527 0.003 0.000 0.329 134 F C 0.021 175.642 175.800 -0.299 0.000 1.072 134 F CA -1.856 56.121 58.000 -0.039 0.000 0.989 134 F CB 0.460 39.559 39.000 0.164 0.000 1.193 134 F HN 0.152 nan 8.300 nan 0.000 0.481 135 F N 2.764 122.382 119.950 -0.554 0.000 2.607 135 F HA 0.012 4.538 4.527 -0.001 0.000 0.374 135 F C 1.527 177.123 175.800 -0.341 0.000 1.104 135 F CA 0.120 57.707 58.000 -0.688 0.000 1.296 135 F CB 0.367 38.796 39.000 -0.952 0.000 1.085 135 F HN 0.802 nan 8.300 nan 0.000 0.584 136 D N 3.561 123.474 120.400 -0.812 0.000 2.192 136 D HA -0.325 4.315 4.640 -0.000 0.000 0.189 136 D C 2.215 178.459 176.300 -0.093 0.000 1.007 136 D CA 2.537 56.383 54.000 -0.257 0.000 0.859 136 D CB -0.330 40.376 40.800 -0.157 0.000 0.936 136 D HN 0.682 nan 8.370 nan 0.000 0.447 137 C N -0.468 118.656 119.300 -0.294 0.000 2.500 137 C HA 0.052 4.512 4.460 -0.000 0.000 0.273 137 C C 2.402 177.474 174.990 0.136 0.000 1.428 137 C CA -0.510 58.495 59.018 -0.021 0.000 1.766 137 C CB -1.712 25.896 27.740 -0.219 0.000 1.817 137 C HN 0.202 nan 8.230 nan 0.000 0.543 138 Y N 2.293 122.619 120.300 0.043 0.000 2.097 138 Y HA -0.132 4.418 4.550 0.001 0.000 0.282 138 Y C 2.682 178.488 175.900 -0.157 0.000 1.152 138 Y CA 1.905 59.975 58.100 -0.048 0.000 1.136 138 Y CB -1.308 37.123 38.460 -0.049 0.000 0.975 138 Y HN 0.535 nan 8.280 nan 0.000 0.498 139 E N 0.211 120.357 120.200 -0.089 0.000 2.031 139 E HA -0.159 4.190 4.350 -0.000 0.000 0.193 139 E C -0.683 175.904 176.600 -0.021 0.000 0.994 139 E CA 1.465 57.800 56.400 -0.109 0.000 0.800 139 E CB -0.807 28.833 29.700 -0.101 0.000 0.752 139 E HN 0.223 nan 8.360 nan 0.000 0.447 140 P HA -0.161 nan 4.420 nan 0.000 0.217 140 P C 1.510 178.811 177.300 0.001 0.000 1.150 140 P CA 1.465 64.572 63.100 0.011 0.000 0.832 140 P CB -0.165 31.585 31.700 0.082 0.000 0.787 141 M N -0.831 118.806 119.600 0.062 0.000 2.086 141 M HA -0.119 4.361 4.480 -0.000 0.000 0.261 141 M C 2.184 178.460 176.300 -0.040 0.000 1.067 141 M CA 1.630 56.969 55.300 0.066 0.000 1.116 141 M CB -1.001 31.657 32.600 0.096 0.000 1.348 141 M HN -0.229 nan 8.290 nan 0.000 0.407 142 V N 0.680 120.551 119.914 -0.072 0.000 2.287 142 V HA -0.312 3.807 4.120 -0.000 0.000 0.248 142 V C 2.220 178.244 176.094 -0.118 0.000 1.053 142 V CA 1.919 64.148 62.300 -0.120 0.000 1.027 142 V CB -0.770 30.954 31.823 -0.165 0.000 0.646 142 V HN 0.455 nan 8.190 nan 0.000 0.447 143 K N 0.128 120.459 120.400 -0.115 0.000 2.057 143 K HA -0.137 4.183 4.320 -0.000 0.000 0.207 143 K C 2.291 178.797 176.600 -0.157 0.000 1.049 143 K CA 1.484 57.693 56.287 -0.129 0.000 0.931 143 K CB -0.460 31.963 32.500 -0.129 0.000 0.714 143 K HN 0.481 nan 8.250 nan 0.000 0.440 144 A N 1.204 123.911 122.820 -0.187 0.000 2.019 144 A HA -0.096 4.224 4.320 -0.000 0.000 0.219 144 A C 2.148 179.703 177.584 -0.048 0.000 1.164 144 A CA 1.777 53.714 52.037 -0.168 0.000 0.644 144 A CB -0.461 18.510 19.000 -0.048 0.000 0.805 144 A HN 0.339 nan 8.150 nan 0.000 0.449 145 A N -1.948 120.827 122.820 -0.075 0.000 2.238 145 A HA 0.420 4.740 4.320 -0.000 0.000 0.208 145 A C 1.763 179.306 177.584 -0.067 0.000 1.177 145 A CA 1.139 53.129 52.037 -0.078 0.000 0.804 145 A CB -0.878 18.051 19.000 -0.118 0.000 0.823 145 A HN 1.843 nan 8.150 nan 0.000 0.482 146 G N -1.867 106.892 108.800 -0.068 0.000 2.157 146 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.248 146 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.248 146 G C 0.722 175.577 174.900 -0.074 0.000 0.979 146 G CA 0.340 45.404 45.100 -0.060 0.000 0.650 146 G HN 1.359 nan 8.290 nan 0.000 0.529 147 G N -0.742 108.001 108.800 -0.095 0.000 2.562 147 G HA2 0.608 4.567 3.960 -0.000 0.000 0.275 147 G HA3 0.608 4.567 3.960 -0.000 0.000 0.275 147 G C -0.125 174.700 174.900 -0.126 0.000 1.196 147 G CA -0.768 44.265 45.100 -0.113 0.000 0.908 147 G HN 0.655 nan 8.290 nan 0.000 0.524 148 I N 2.149 122.631 120.570 -0.147 0.000 2.390 148 I HA 0.253 4.423 4.170 -0.000 0.000 0.283 148 I C -2.110 173.862 176.117 -0.243 0.000 1.016 148 I CA -2.045 59.160 61.300 -0.159 0.000 1.151 148 I CB 2.412 40.335 38.000 -0.130 0.000 1.293 148 I HN 0.231 nan 8.210 nan 0.000 0.458 149 P HA 0.224 nan 4.420 nan 0.000 0.275 149 P C -0.782 176.131 177.300 -0.646 0.000 1.227 149 P CA -0.553 62.206 63.100 -0.569 0.000 0.781 149 P CB 0.854 32.103 31.700 -0.753 0.000 0.906 150 R N 2.845 122.931 120.500 -0.691 0.000 2.435 150 R HA 0.502 4.842 4.340 -0.000 0.000 0.308 150 R C -1.437 174.580 176.300 -0.471 0.000 0.975 150 R CA -0.830 54.980 56.100 -0.483 0.000 0.867 150 R CB -0.359 29.746 30.300 -0.324 0.000 1.171 150 R HN 0.236 nan 8.270 nan 0.000 0.470 151 F N 5.332 125.260 119.950 -0.036 0.000 2.399 151 F HA 0.560 5.088 4.527 0.002 0.000 0.334 151 F C 0.206 176.033 175.800 0.046 0.000 1.097 151 F CA -0.878 57.136 58.000 0.024 0.000 1.076 151 F CB 1.116 40.170 39.000 0.090 0.000 1.162 151 F HN 0.291 nan 8.300 nan 0.000 0.495 152 I N 2.051 122.777 120.570 0.260 0.000 2.548 152 I HA 0.454 4.623 4.170 -0.000 0.000 0.287 152 I C -2.962 173.276 176.117 0.202 0.000 1.103 152 I CA -2.281 59.131 61.300 0.187 0.000 1.049 152 I CB 1.828 39.901 38.000 0.121 0.000 1.232 152 I HN 0.197 nan 8.210 nan 0.000 0.429 153 P HA 0.389 nan 4.420 nan 0.000 0.292 153 P C -0.774 176.621 177.300 0.158 0.000 1.283 153 P CA -0.498 62.721 63.100 0.199 0.000 0.835 153 P CB 1.576 33.438 31.700 0.268 0.000 1.017 154 L N 2.706 124.024 121.223 0.158 0.000 2.361 154 L HA 0.275 4.615 4.340 -0.000 0.000 0.278 154 L C 0.941 177.977 176.870 0.277 0.000 1.113 154 L CA 0.193 55.144 54.840 0.185 0.000 0.849 154 L CB -0.079 42.062 42.059 0.136 0.000 1.155 154 L HN 0.354 nan 8.230 nan 0.000 0.452 155 K N 6.897 127.333 120.400 0.060 0.000 2.324 155 K HA 0.565 4.885 4.320 -0.000 0.000 0.253 155 K C -2.629 173.653 176.600 -0.531 0.000 0.932 155 K CA -1.899 54.246 56.287 -0.237 0.000 0.799 155 K CB 1.972 34.389 32.500 -0.137 0.000 1.154 155 K HN 0.048 nan 8.250 nan 0.000 0.425 156 P HA 0.127 nan 4.420 nan 0.000 0.274 156 P C -1.125 175.903 177.300 -0.453 0.000 1.256 156 P CA -0.313 62.142 63.100 -1.074 0.000 0.795 156 P CB 0.456 31.337 31.700 -1.365 0.000 1.038 157 N N 0.463 118.991 118.700 -0.287 0.000 3.091 157 N HA 0.112 4.851 4.740 -0.000 0.000 0.255 157 N C -0.037 175.410 175.510 -0.106 0.000 1.204 157 N CA -0.488 52.474 53.050 -0.147 0.000 0.990 157 N CB 0.286 38.725 38.487 -0.080 0.000 1.260 157 N HN 0.083 nan 8.380 nan 0.000 0.502 158 K N 1.601 121.934 120.400 -0.112 0.000 2.150 158 K HA 0.128 4.448 4.320 -0.000 0.000 0.261 158 K C -0.036 176.538 176.600 -0.043 0.000 1.127 158 K CA 0.218 56.469 56.287 -0.061 0.000 0.989 158 K CB -0.120 32.346 32.500 -0.056 0.000 1.475 158 K HN 0.387 nan 8.250 nan 0.000 0.391 159 T N 0.555 115.092 114.554 -0.028 0.000 5.335 159 T HA 0.188 4.538 4.350 -0.000 0.000 0.286 159 T C -0.277 174.417 174.700 -0.009 0.000 0.923 159 T CA 0.034 62.122 62.100 -0.020 0.000 0.581 159 T CB -0.646 68.207 68.868 -0.025 0.000 0.565 159 T HN 0.411 nan 8.240 nan 0.000 0.261 160 G N 0.116 108.916 108.800 -0.000 0.000 4.613 160 G HA2 0.529 4.489 3.960 -0.000 0.000 0.232 160 G HA3 0.529 4.489 3.960 -0.000 0.000 0.232 160 G C 0.933 175.845 174.900 0.019 0.000 0.947 160 G CA 0.367 45.473 45.100 0.010 0.000 0.715 160 G HN 1.055 nan 8.290 nan 0.000 0.518 161 G N 1.320 110.129 108.800 0.015 0.000 2.634 161 G HA2 -0.255 3.704 3.960 -0.000 0.000 0.318 161 G HA3 -0.255 3.704 3.960 -0.000 0.000 0.318 161 G C 0.947 175.865 174.900 0.029 0.000 1.207 161 G CA 0.996 46.108 45.100 0.020 0.000 0.987 161 G HN 1.437 nan 8.290 nan 0.000 0.547 162 T N 0.205 114.782 114.554 0.038 0.000 2.732 162 T HA 0.549 4.899 4.350 -0.000 0.000 0.287 162 T C 0.343 175.085 174.700 0.071 0.000 0.993 162 T CA 0.636 62.768 62.100 0.053 0.000 0.966 162 T CB 1.885 70.783 68.868 0.049 0.000 1.047 162 T HN 1.314 nan 8.240 nan 0.000 0.527 163 I N 0.164 120.793 120.570 0.099 0.000 2.619 163 I HA 0.568 4.737 4.170 -0.000 0.000 0.292 163 I C -0.541 175.670 176.117 0.156 0.000 1.100 163 I CA -0.408 60.972 61.300 0.134 0.000 1.043 163 I CB 2.099 40.204 38.000 0.176 0.000 1.239 163 I HN 0.750 nan 8.210 nan 0.000 0.420 164 S N 3.315 119.112 115.700 0.162 0.000 2.621 164 S HA 0.391 4.861 4.470 -0.000 0.000 0.302 164 S C 1.058 175.773 174.600 0.191 0.000 1.093 164 S CA 0.062 58.348 58.200 0.143 0.000 1.017 164 S CB 1.640 64.912 63.200 0.119 0.000 1.077 164 S HN 0.820 nan 8.310 nan 0.000 0.517 165 S N 2.750 118.507 115.700 0.096 0.000 2.440 165 S HA -0.077 4.393 4.470 -0.000 0.000 0.238 165 S C 1.919 176.571 174.600 0.087 0.000 1.010 165 S CA 0.976 59.209 58.200 0.055 0.000 0.972 165 S CB -0.922 62.227 63.200 -0.085 0.000 0.774 165 S HN 1.053 nan 8.310 nan 0.000 0.501 166 A N 2.019 124.848 122.820 0.015 0.000 2.070 166 A HA -0.078 4.242 4.320 -0.000 0.000 0.220 166 A C 1.799 179.438 177.584 0.092 0.000 1.159 166 A CA 1.412 53.459 52.037 0.017 0.000 0.656 166 A CB -0.505 18.490 19.000 -0.008 0.000 0.800 166 A HN 0.509 nan 8.150 nan 0.000 0.453 167 D N -1.729 118.757 120.400 0.144 0.000 2.347 167 D HA -0.039 4.601 4.640 -0.000 0.000 0.215 167 D C -0.387 175.945 176.300 0.055 0.000 0.976 167 D CA 0.300 54.354 54.000 0.090 0.000 0.884 167 D CB -0.096 40.745 40.800 0.067 0.000 0.915 167 D HN 0.600 nan 8.370 nan 0.000 0.526 168 W N 2.085 123.360 121.300 -0.042 0.000 2.437 168 W HA 0.267 4.927 4.660 -0.001 0.000 0.312 168 W C 0.413 176.894 176.519 -0.064 0.000 1.242 168 W CA -0.471 56.836 57.345 -0.064 0.000 1.340 168 W CB 0.313 29.707 29.460 -0.109 0.000 1.327 168 W HN -0.319 nan 8.180 nan 0.000 0.476 169 V N 1.730 121.694 119.914 0.084 0.000 3.141 169 V HA 0.636 4.756 4.120 -0.000 0.000 0.312 169 V C -0.939 175.186 176.094 0.051 0.000 1.157 169 V CA -1.583 60.752 62.300 0.059 0.000 1.041 169 V CB 1.663 33.504 31.823 0.031 0.000 1.071 169 V HN 0.130 nan 8.190 nan 0.000 0.441 170 L N 1.701 122.956 121.223 0.053 0.000 2.343 170 L HA 0.535 4.875 4.340 -0.000 0.000 0.275 170 L C 0.153 177.053 176.870 0.050 0.000 1.056 170 L CA 0.257 55.133 54.840 0.061 0.000 0.804 170 L CB 1.074 43.176 42.059 0.072 0.000 1.203 170 L HN 0.904 nan 8.230 nan 0.000 0.440 171 D N 1.869 122.301 120.400 0.053 0.000 2.325 171 D HA 0.005 4.645 4.640 -0.000 0.000 0.251 171 D C 0.582 176.916 176.300 0.056 0.000 1.196 171 D CA 0.024 54.051 54.000 0.046 0.000 0.866 171 D CB 0.813 41.639 40.800 0.044 0.000 1.101 171 D HN 0.403 nan 8.370 nan 0.000 0.476 172 N N 3.690 122.419 118.700 0.048 0.000 2.142 172 N HA -0.151 4.589 4.740 -0.000 0.000 0.186 172 N C 1.152 176.698 175.510 0.060 0.000 1.023 172 N CA 0.661 53.743 53.050 0.053 0.000 0.852 172 N CB -0.084 38.425 38.487 0.037 0.000 0.998 172 N HN 0.460 nan 8.380 nan 0.000 0.424 173 N N 1.271 120.001 118.700 0.050 0.000 2.069 173 N HA -0.153 4.587 4.740 -0.000 0.000 0.191 173 N C 1.589 177.137 175.510 0.063 0.000 1.031 173 N CA 0.750 53.831 53.050 0.052 0.000 0.852 173 N CB -0.317 38.194 38.487 0.040 0.000 1.018 173 N HN 0.469 nan 8.380 nan 0.000 0.423 174 E N 0.368 120.604 120.200 0.061 0.000 2.085 174 E HA -0.152 4.198 4.350 -0.000 0.000 0.194 174 E C 1.933 178.584 176.600 0.084 0.000 0.994 174 E CA 0.602 57.041 56.400 0.064 0.000 0.801 174 E CB -0.079 29.659 29.700 0.063 0.000 0.743 174 E HN 0.229 nan 8.360 nan 0.000 0.453 175 L N 1.060 122.347 121.223 0.107 0.000 2.017 175 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 175 L C 2.374 179.394 176.870 0.250 0.000 1.073 175 L CA 1.628 56.568 54.840 0.167 0.000 0.745 175 L CB -0.515 41.642 42.059 0.163 0.000 0.894 175 L HN 0.249 nan 8.230 nan 0.000 0.432 176 E N -0.016 120.290 120.200 0.177 0.000 2.110 176 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 176 E C 2.003 178.711 176.600 0.179 0.000 0.988 176 E CA 1.281 57.792 56.400 0.185 0.000 0.804 176 E CB 0.074 29.847 29.700 0.122 0.000 0.745 176 E HN 0.560 nan 8.360 nan 0.000 0.458 177 A N 0.391 123.278 122.820 0.111 0.000 2.067 177 A HA -0.110 4.210 4.320 -0.000 0.000 0.219 177 A C 2.074 179.656 177.584 -0.003 0.000 1.158 177 A CA 0.636 52.705 52.037 0.054 0.000 0.661 177 A CB -0.232 18.793 19.000 0.041 0.000 0.801 177 A HN 0.175 nan 8.150 nan 0.000 0.452 178 L N -1.812 119.420 121.223 0.015 0.000 2.270 178 L HA 0.253 4.592 4.340 -0.000 0.000 0.210 178 L C -0.008 176.714 176.870 -0.247 0.000 1.104 178 L CA 0.718 55.497 54.840 -0.101 0.000 0.804 178 L CB -0.287 41.716 42.059 -0.093 0.000 0.937 178 L HN 0.283 nan 8.230 nan 0.000 0.450 179 F N 0.361 120.126 119.950 -0.309 0.000 2.427 179 F HA 0.287 4.814 4.527 -0.001 0.000 0.352 179 F C 0.632 175.747 175.800 -1.142 0.000 1.100 179 F CA -0.327 57.312 58.000 -0.602 0.000 1.191 179 F CB 0.403 39.087 39.000 -0.527 0.000 1.128 179 F HN 0.204 nan 8.300 nan 0.000 0.533 180 N N -0.088 118.012 118.700 -1.000 0.000 3.316 180 N HA 0.159 4.899 4.740 -0.000 0.000 0.300 180 N C 0.268 175.402 175.510 -0.626 0.000 1.567 180 N CA -0.769 51.503 53.050 -1.297 0.000 0.821 180 N CB 0.228 38.345 38.487 -0.617 0.000 1.748 180 N HN 0.347 nan 8.380 nan 0.000 0.603 181 E N 0.342 120.433 120.200 -0.181 0.000 2.333 181 E HA -0.193 4.157 4.350 -0.000 0.000 0.198 181 E C 0.288 176.894 176.600 0.010 0.000 1.007 181 E CA 1.283 57.763 56.400 0.133 0.000 0.845 181 E CB -0.282 29.531 29.700 0.188 0.000 0.766 181 E HN 0.690 nan 8.360 nan 0.000 0.507 182 K N 0.744 121.090 120.400 -0.091 0.000 2.418 182 K HA 0.067 4.387 4.320 -0.000 0.000 0.195 182 K C 0.257 176.782 176.600 -0.124 0.000 1.035 182 K CA 0.417 56.648 56.287 -0.093 0.000 1.003 182 K CB 0.076 32.509 32.500 -0.111 0.000 0.793 182 K HN 0.007 nan 8.250 nan 0.000 0.494 183 T N 2.021 116.478 114.554 -0.162 0.000 2.769 183 T HA 0.032 4.382 4.350 -0.000 0.000 0.293 183 T C 0.914 175.556 174.700 -0.097 0.000 0.931 183 T CA 0.203 62.183 62.100 -0.201 0.000 1.139 183 T CB 1.195 69.880 68.868 -0.306 0.000 0.881 183 T HN 0.065 nan 8.240 nan 0.000 0.532 184 K N 3.410 123.739 120.400 -0.118 0.000 2.244 184 K HA 0.342 4.662 4.320 -0.000 0.000 0.200 184 K C 0.382 176.928 176.600 -0.091 0.000 1.052 184 K CA 0.741 56.981 56.287 -0.077 0.000 0.980 184 K CB 0.445 32.899 32.500 -0.078 0.000 0.838 184 K HN 0.611 nan 8.250 nan 0.000 0.481 185 M N 0.423 119.939 119.600 -0.140 0.000 2.465 185 M HA 0.377 4.857 4.480 -0.000 0.000 0.284 185 M C -1.890 174.294 176.300 -0.194 0.000 1.212 185 M CA -0.807 54.403 55.300 -0.151 0.000 0.910 185 M CB 2.557 35.059 32.600 -0.164 0.000 1.725 185 M HN 0.038 nan 8.290 nan 0.000 0.477 186 I N 4.827 125.307 120.570 -0.150 0.000 2.499 186 I HA 0.550 4.720 4.170 -0.000 0.000 0.288 186 I C -1.220 174.804 176.117 -0.156 0.000 1.048 186 I CA -0.849 60.361 61.300 -0.151 0.000 1.062 186 I CB 1.334 39.324 38.000 -0.016 0.000 1.238 186 I HN 0.712 nan 8.210 nan 0.000 0.426 187 I N 5.715 126.159 120.570 -0.209 0.000 2.336 187 I HA 0.560 4.730 4.170 -0.000 0.000 0.292 187 I C -1.290 174.734 176.117 -0.156 0.000 0.991 187 I CA -0.440 60.690 61.300 -0.282 0.000 1.227 187 I CB 1.502 39.167 38.000 -0.558 0.000 1.366 187 I HN 0.466 nan 8.210 nan 0.000 0.466 188 I N 5.545 126.052 120.570 -0.105 0.000 2.603 188 I HA 0.410 4.580 4.170 -0.000 0.000 0.300 188 I C -0.405 175.735 176.117 0.039 0.000 1.017 188 I CA -0.257 61.048 61.300 0.008 0.000 1.098 188 I CB 1.939 39.947 38.000 0.013 0.000 1.279 188 I HN 0.644 nan 8.210 nan 0.000 0.437 189 N N 3.058 121.843 118.700 0.141 0.000 2.540 189 N HA 0.519 5.258 4.740 -0.000 0.000 0.275 189 N C -1.828 173.771 175.510 0.149 0.000 1.053 189 N CA -0.375 52.757 53.050 0.136 0.000 0.876 189 N CB 1.210 39.802 38.487 0.176 0.000 1.284 189 N HN 0.536 nan 8.380 nan 0.000 0.518 190 T N 3.138 117.762 114.554 0.117 0.000 2.937 190 T HA 0.465 4.815 4.350 -0.000 0.000 0.297 190 T C -2.859 171.964 174.700 0.204 0.000 0.991 190 T CA -1.174 61.014 62.100 0.147 0.000 0.990 190 T CB 1.940 70.872 68.868 0.106 0.000 0.991 190 T HN 0.259 nan 8.240 nan 0.000 0.440 191 P HA 0.055 nan 4.420 nan 0.000 0.268 191 P C -0.175 177.200 177.300 0.125 0.000 1.205 191 P CA -0.296 62.872 63.100 0.114 0.000 0.771 191 P CB 0.325 32.041 31.700 0.028 0.000 0.858 192 H N 3.393 122.464 119.070 0.002 0.000 2.683 192 H HA 0.135 4.691 4.556 -0.001 0.000 0.339 192 H C -0.276 175.023 175.328 -0.048 0.000 1.081 192 H CA 0.126 56.169 56.048 -0.009 0.000 1.432 192 H CB 0.495 30.228 29.762 -0.049 0.000 1.462 192 H HN 0.261 nan 8.280 nan 0.000 0.557 193 N N 6.021 124.388 118.700 -0.556 0.000 2.437 193 N HA 0.138 4.878 4.740 -0.000 0.000 0.259 193 N C -2.283 172.857 175.510 -0.617 0.000 0.983 193 N CA -2.140 50.681 53.050 -0.382 0.000 0.937 193 N CB 1.539 39.957 38.487 -0.115 0.000 1.122 193 N HN 0.436 nan 8.380 nan 0.000 0.499 194 P HA 0.188 nan 4.420 nan 0.000 0.280 194 P C 0.973 178.223 177.300 -0.083 0.000 1.431 194 P CA 0.016 62.961 63.100 -0.259 0.000 1.058 194 P CB 0.539 31.973 31.700 -0.443 0.000 1.521 195 L N -0.529 120.706 121.223 0.020 0.000 2.141 195 L HA 0.077 4.416 4.340 -0.000 0.000 0.209 195 L C 1.888 178.707 176.870 -0.085 0.000 1.094 195 L CA 1.534 56.262 54.840 -0.188 0.000 0.763 195 L CB -1.271 40.530 42.059 -0.429 0.000 0.908 195 L HN 0.157 nan 8.230 nan 0.000 0.437 196 G N 0.660 109.461 108.800 0.001 0.000 2.148 196 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.254 196 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.254 196 G C 0.376 175.261 174.900 -0.025 0.000 0.981 196 G CA 0.433 45.523 45.100 -0.015 0.000 0.670 196 G HN 0.406 nan 8.290 nan 0.000 0.528 197 K N 0.461 120.843 120.400 -0.030 0.000 2.451 197 K HA 0.385 4.704 4.320 -0.000 0.000 0.280 197 K C 0.733 177.318 176.600 -0.026 0.000 1.020 197 K CA 0.187 56.435 56.287 -0.064 0.000 1.008 197 K CB 0.612 33.055 32.500 -0.094 0.000 0.917 197 K HN 0.775 nan 8.250 nan 0.000 0.478 198 V N 3.108 122.970 119.914 -0.086 0.000 2.328 198 V HA 0.324 4.444 4.120 -0.000 0.000 0.278 198 V C 0.145 176.226 176.094 -0.022 0.000 1.021 198 V CA -0.937 61.343 62.300 -0.033 0.000 0.838 198 V CB 0.957 32.758 31.823 -0.037 0.000 0.999 198 V HN 0.885 nan 8.190 nan 0.000 0.447 199 M N 5.401 125.004 119.600 0.006 0.000 2.284 199 M HA 0.160 4.640 4.480 -0.000 0.000 0.351 199 M C 0.380 176.684 176.300 0.006 0.000 1.443 199 M CA 0.269 55.573 55.300 0.006 0.000 1.031 199 M CB 0.244 32.849 32.600 0.009 0.000 1.893 199 M HN 1.045 nan 8.290 nan 0.000 0.456 200 D N 3.325 123.738 120.400 0.022 0.000 2.411 200 D HA 0.117 4.756 4.640 -0.000 0.000 0.251 200 D C 0.847 177.160 176.300 0.021 0.000 1.201 200 D CA -0.560 53.463 54.000 0.039 0.000 0.996 200 D CB 0.449 41.287 40.800 0.062 0.000 1.101 200 D HN 0.643 nan 8.370 nan 0.000 0.504 201 R N 0.130 120.644 120.500 0.023 0.000 2.091 201 R HA -0.126 4.214 4.340 -0.000 0.000 0.238 201 R C 1.939 178.245 176.300 0.010 0.000 1.136 201 R CA 1.714 57.821 56.100 0.011 0.000 0.959 201 R CB -1.117 29.192 30.300 0.015 0.000 0.856 201 R HN 0.381 nan 8.270 nan 0.000 0.437 202 A N 1.377 124.207 122.820 0.017 0.000 1.902 202 A HA -0.196 4.123 4.320 -0.000 0.000 0.217 202 A C 2.029 179.620 177.584 0.012 0.000 1.181 202 A CA 1.740 53.786 52.037 0.014 0.000 0.623 202 A CB -0.477 18.534 19.000 0.019 0.000 0.818 202 A HN 0.571 nan 8.150 nan 0.000 0.443 203 E N -0.718 119.492 120.200 0.017 0.000 2.106 203 E HA -0.148 4.202 4.350 -0.000 0.000 0.192 203 E C 1.817 178.424 176.600 0.013 0.000 0.984 203 E CA 0.861 57.272 56.400 0.019 0.000 0.806 203 E CB -0.195 29.519 29.700 0.024 0.000 0.750 203 E HN 0.394 nan 8.360 nan 0.000 0.458 204 L N 1.438 122.664 121.223 0.005 0.000 2.017 204 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 204 L C 2.019 178.885 176.870 -0.006 0.000 1.073 204 L CA 1.754 56.592 54.840 -0.003 0.000 0.745 204 L CB -0.594 41.457 42.059 -0.013 0.000 0.894 204 L HN 0.104 nan 8.230 nan 0.000 0.432 205 E N -1.244 118.952 120.200 -0.007 0.000 2.085 205 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 205 E C 2.229 178.814 176.600 -0.026 0.000 0.994 205 E CA 1.343 57.734 56.400 -0.015 0.000 0.801 205 E CB -0.107 29.586 29.700 -0.011 0.000 0.743 205 E HN 0.269 nan 8.360 nan 0.000 0.453 206 V N 0.777 120.681 119.914 -0.017 0.000 2.287 206 V HA -0.269 3.851 4.120 -0.000 0.000 0.248 206 V C 2.319 178.381 176.094 -0.054 0.000 1.053 206 V CA 1.549 63.833 62.300 -0.027 0.000 1.027 206 V CB -0.403 31.420 31.823 -0.001 0.000 0.646 206 V HN 0.151 nan 8.190 nan 0.000 0.447 207 V N 0.041 119.942 119.914 -0.021 0.000 2.358 207 V HA -0.223 3.896 4.120 -0.000 0.000 0.246 207 V C 2.669 178.728 176.094 -0.058 0.000 1.047 207 V CA 1.897 64.188 62.300 -0.016 0.000 1.035 207 V CB -1.133 30.717 31.823 0.044 0.000 0.658 207 V HN 0.560 nan 8.190 nan 0.000 0.452 208 A N 0.673 123.469 122.820 -0.041 0.000 1.865 208 A HA -0.248 4.072 4.320 -0.000 0.000 0.217 208 A C 2.077 179.615 177.584 -0.077 0.000 1.191 208 A CA 2.113 54.125 52.037 -0.043 0.000 0.623 208 A CB -0.755 18.230 19.000 -0.025 0.000 0.826 208 A HN 0.591 nan 8.150 nan 0.000 0.444 209 N N 0.158 118.804 118.700 -0.090 0.000 2.149 209 N HA -0.128 4.612 4.740 -0.000 0.000 0.188 209 N C 1.517 176.922 175.510 -0.174 0.000 1.019 209 N CA 1.162 54.144 53.050 -0.113 0.000 0.857 209 N CB -0.447 37.981 38.487 -0.098 0.000 0.997 209 N HN 0.284 nan 8.380 nan 0.000 0.426 210 L N 0.840 121.905 121.223 -0.263 0.000 2.046 210 L HA -0.109 4.230 4.340 -0.000 0.000 0.208 210 L C 2.382 179.068 176.870 -0.306 0.000 1.077 210 L CA 0.963 55.515 54.840 -0.479 0.000 0.747 210 L CB -1.334 40.023 42.059 -1.169 0.000 0.896 210 L HN 0.222 nan 8.230 nan 0.000 0.432 211 C N -0.519 118.683 119.300 -0.163 0.000 2.440 211 C HA -0.149 4.311 4.460 -0.000 0.000 0.278 211 C C 2.770 177.768 174.990 0.012 0.000 1.295 211 C CA 0.507 59.543 59.018 0.030 0.000 1.738 211 C CB -0.497 27.263 27.740 0.033 0.000 1.987 211 C HN 0.450 nan 8.230 nan 0.000 0.492 212 K N 0.540 120.907 120.400 -0.055 0.000 2.103 212 K HA -0.092 4.228 4.320 -0.000 0.000 0.204 212 K C 2.059 178.588 176.600 -0.120 0.000 1.052 212 K CA 1.149 57.395 56.287 -0.068 0.000 0.945 212 K CB -0.060 32.395 32.500 -0.074 0.000 0.722 212 K HN 0.322 nan 8.250 nan 0.000 0.443 213 K N -0.523 119.753 120.400 -0.207 0.000 2.097 213 K HA -0.135 4.185 4.320 -0.000 0.000 0.206 213 K C 0.989 177.275 176.600 -0.523 0.000 1.049 213 K CA 1.395 57.424 56.287 -0.430 0.000 0.933 213 K CB 0.019 32.171 32.500 -0.581 0.000 0.717 213 K HN 0.238 nan 8.250 nan 0.000 0.442 214 W N 0.254 121.539 121.300 -0.025 0.000 3.132 214 W HA 0.241 4.899 4.660 -0.004 0.000 0.364 214 W C -0.232 176.308 176.519 0.035 0.000 1.129 214 W CA -0.700 56.667 57.345 0.037 0.000 1.815 214 W CB 0.071 29.619 29.460 0.145 0.000 1.099 214 W HN 0.021 nan 8.180 nan 0.000 0.605 215 N N 1.270 120.062 118.700 0.153 0.000 2.671 215 N HA -0.197 4.542 4.740 -0.000 0.000 0.261 215 N C -1.103 174.471 175.510 0.107 0.000 1.053 215 N CA 0.906 54.011 53.050 0.091 0.000 0.732 215 N CB -1.063 37.463 38.487 0.065 0.000 0.887 215 N HN 0.102 nan 8.380 nan 0.000 0.546 216 V N 1.028 121.016 119.914 0.123 0.000 2.815 216 V HA 0.767 4.886 4.120 -0.000 0.000 0.314 216 V C -0.154 175.946 176.094 0.009 0.000 1.064 216 V CA -1.148 61.208 62.300 0.092 0.000 0.952 216 V CB 1.767 33.714 31.823 0.206 0.000 1.020 216 V HN 0.337 nan 8.190 nan 0.000 0.439 217 L N 6.722 127.905 121.223 -0.068 0.000 2.319 217 L HA 0.525 4.865 4.340 -0.000 0.000 0.280 217 L C -0.167 176.627 176.870 -0.127 0.000 1.099 217 L CA 0.404 55.153 54.840 -0.152 0.000 0.828 217 L CB 0.559 42.456 42.059 -0.271 0.000 1.150 217 L HN 0.931 nan 8.230 nan 0.000 0.442 218 C N 6.296 125.519 119.300 -0.128 0.000 2.255 218 C HA 0.647 5.107 4.460 -0.000 0.000 0.326 218 C C -0.147 174.743 174.990 -0.166 0.000 1.258 218 C CA -0.639 58.314 59.018 -0.109 0.000 1.676 218 C CB -0.094 27.604 27.740 -0.069 0.000 2.314 218 C HN 0.644 nan 8.230 nan 0.000 0.509 219 V N 6.538 126.346 119.914 -0.176 0.000 2.328 219 V HA 0.388 4.508 4.120 -0.000 0.000 0.278 219 V C 0.370 176.350 176.094 -0.190 0.000 1.021 219 V CA 0.089 62.263 62.300 -0.209 0.000 0.838 219 V CB 1.428 33.111 31.823 -0.234 0.000 0.999 219 V HN 0.910 nan 8.190 nan 0.000 0.447 220 S N 3.426 119.016 115.700 -0.183 0.000 2.448 220 S HA 0.257 4.727 4.470 -0.000 0.000 0.320 220 S C -0.438 174.078 174.600 -0.140 0.000 1.071 220 S CA -0.633 57.486 58.200 -0.134 0.000 1.113 220 S CB 0.524 63.660 63.200 -0.107 0.000 0.972 220 S HN 0.811 nan 8.310 nan 0.000 0.465 221 D N 4.051 124.387 120.400 -0.106 0.000 2.422 221 D HA 0.150 4.790 4.640 -0.000 0.000 0.227 221 D C 0.126 176.368 176.300 -0.096 0.000 1.190 221 D CA -0.077 53.855 54.000 -0.115 0.000 0.905 221 D CB 0.520 41.293 40.800 -0.044 0.000 1.034 221 D HN 0.638 nan 8.370 nan 0.000 0.507 222 E N 2.818 122.946 120.200 -0.121 0.000 2.609 222 E HA 0.037 4.387 4.350 -0.000 0.000 0.208 222 E C 1.435 177.896 176.600 -0.232 0.000 1.013 222 E CA -0.244 56.108 56.400 -0.081 0.000 1.093 222 E CB 1.215 30.943 29.700 0.047 0.000 1.129 222 E HN 0.230 nan 8.360 nan 0.000 0.450 223 V N -0.010 119.687 119.914 -0.362 0.000 2.392 223 V HA -0.266 3.854 4.120 -0.000 0.000 0.249 223 V C 0.944 176.682 176.094 -0.594 0.000 1.059 223 V CA 1.802 63.779 62.300 -0.539 0.000 1.051 223 V CB -0.267 31.099 31.823 -0.761 0.000 0.658 223 V HN 0.473 nan 8.190 nan 0.000 0.455 224 Y N 0.611 120.752 120.300 -0.264 0.000 2.537 224 Y HA 0.123 4.673 4.550 0.000 0.000 0.303 224 Y C 2.048 177.724 175.900 -0.373 0.000 1.176 224 Y CA 0.279 58.197 58.100 -0.303 0.000 1.273 224 Y CB -0.393 37.871 38.460 -0.328 0.000 1.110 224 Y HN 0.510 nan 8.280 nan 0.000 0.518 225 E N -0.491 119.438 120.200 -0.452 0.000 2.219 225 E HA -0.272 4.078 4.350 -0.000 0.000 0.198 225 E C 0.489 176.695 176.600 -0.657 0.000 0.998 225 E CA 1.919 57.781 56.400 -0.897 0.000 0.818 225 E CB -0.460 28.641 29.700 -0.998 0.000 0.741 225 E HN 0.666 nan 8.360 nan 0.000 0.477 226 H N -0.536 118.379 119.070 -0.258 0.000 2.539 226 H HA 0.284 4.840 4.556 0.000 0.000 0.269 226 H C 0.722 175.935 175.328 -0.192 0.000 0.980 226 H CA 0.179 56.109 56.048 -0.195 0.000 1.152 226 H CB 0.304 29.956 29.762 -0.184 0.000 1.407 226 H HN 0.102 nan 8.280 nan 0.000 0.564 227 M N 1.569 121.075 119.600 -0.156 0.000 2.756 227 M HA 0.129 4.609 4.480 -0.000 0.000 0.320 227 M C -0.328 175.672 176.300 -0.500 0.000 1.245 227 M CA -0.411 54.710 55.300 -0.299 0.000 0.972 227 M CB 0.866 33.281 32.600 -0.309 0.000 1.327 227 M HN 0.039 nan 8.290 nan 0.000 0.505 228 V N -1.298 118.438 119.914 -0.296 0.000 2.583 228 V HA 0.402 4.522 4.120 -0.000 0.000 0.287 228 V C -0.384 175.576 176.094 -0.223 0.000 1.051 228 V CA -0.530 61.622 62.300 -0.246 0.000 1.010 228 V CB 0.198 32.033 31.823 0.019 0.000 0.988 228 V HN 0.156 nan 8.190 nan 0.000 0.478 229 F N 2.928 122.993 119.950 0.192 0.000 2.427 229 F HA 0.427 4.954 4.527 0.000 0.000 0.352 229 F C 1.515 177.423 175.800 0.181 0.000 1.100 229 F CA -0.233 57.877 58.000 0.184 0.000 1.191 229 F CB 0.713 39.836 39.000 0.204 0.000 1.128 229 F HN 0.729 nan 8.300 nan 0.000 0.533 230 E N 3.789 124.147 120.200 0.263 0.000 2.246 230 E HA -0.266 4.084 4.350 -0.000 0.000 0.232 230 E C -0.439 176.150 176.600 -0.019 0.000 1.087 230 E CA 2.347 58.811 56.400 0.106 0.000 0.964 230 E CB -1.453 28.288 29.700 0.070 0.000 0.827 230 E HN 0.461 nan 8.360 nan 0.000 0.476 231 P HA -0.140 nan 4.420 nan 0.000 0.217 231 P C 0.303 177.222 177.300 -0.634 0.000 1.151 231 P CA 1.330 64.088 63.100 -0.570 0.000 0.849 231 P CB -0.156 30.897 31.700 -1.079 0.000 0.787 232 F N -1.413 118.593 119.950 0.094 0.000 2.461 232 F HA 0.511 5.038 4.527 0.000 0.000 0.337 232 F C 0.970 176.812 175.800 0.069 0.000 1.079 232 F CA -0.779 57.268 58.000 0.079 0.000 1.032 232 F CB 0.804 39.858 39.000 0.090 0.000 1.327 232 F HN -0.368 nan 8.300 nan 0.000 0.491 233 E N -0.677 119.684 120.200 0.268 0.000 2.321 233 E HA 0.114 4.464 4.350 -0.000 0.000 0.278 233 E C -1.842 174.854 176.600 0.160 0.000 0.902 233 E CA -0.837 55.666 56.400 0.172 0.000 0.758 233 E CB 2.154 31.923 29.700 0.115 0.000 1.213 233 E HN 0.615 nan 8.360 nan 0.000 0.426 234 H N 3.036 122.143 119.070 0.062 0.000 2.819 234 H HA 0.352 4.908 4.556 -0.001 0.000 0.303 234 H C -0.583 174.774 175.328 0.047 0.000 1.058 234 H CA 0.259 56.330 56.048 0.039 0.000 1.471 234 H CB 0.110 29.874 29.762 0.002 0.000 1.480 234 H HN 0.309 nan 8.280 nan 0.000 0.517 235 I N 6.315 126.652 120.570 -0.389 0.000 2.433 235 I HA 0.329 4.499 4.170 -0.000 0.000 0.292 235 I C -0.333 175.559 176.117 -0.375 0.000 1.001 235 I CA -1.197 59.949 61.300 -0.256 0.000 1.119 235 I CB 1.406 39.344 38.000 -0.103 0.000 1.289 235 I HN 0.557 nan 8.210 nan 0.000 0.438 236 R N 6.814 127.221 120.500 -0.155 0.000 2.229 236 R HA 0.392 4.732 4.340 -0.000 0.000 0.328 236 R C 0.493 176.794 176.300 0.001 0.000 1.009 236 R CA -0.535 55.534 56.100 -0.051 0.000 0.864 236 R CB 0.712 31.096 30.300 0.139 0.000 1.085 236 R HN 0.703 nan 8.270 nan 0.000 0.453 237 I N 0.877 121.437 120.570 -0.016 0.000 2.423 237 I HA -0.289 3.881 4.170 -0.000 0.000 0.254 237 I C 2.186 178.329 176.117 0.043 0.000 1.151 237 I CA 1.148 62.449 61.300 0.001 0.000 1.421 237 I CB -0.654 37.336 38.000 -0.017 0.000 1.079 237 I HN 0.671 nan 8.210 nan 0.000 0.431 238 C N -0.575 118.776 119.300 0.084 0.000 2.466 238 C HA 0.017 4.477 4.460 -0.000 0.000 0.283 238 C C 2.439 177.583 174.990 0.257 0.000 1.472 238 C CA 0.527 59.653 59.018 0.179 0.000 1.765 238 C CB -1.874 26.020 27.740 0.257 0.000 1.724 238 C HN 0.457 nan 8.230 nan 0.000 0.560 239 T N 1.284 115.936 114.554 0.162 0.000 3.067 239 T HA 0.237 4.587 4.350 -0.000 0.000 0.257 239 T C 0.819 175.564 174.700 0.074 0.000 1.105 239 T CA 0.193 62.361 62.100 0.114 0.000 1.104 239 T CB -0.091 68.825 68.868 0.080 0.000 0.925 239 T HN 0.481 nan 8.240 nan 0.000 0.498 240 L N 2.104 123.364 121.223 0.063 0.000 2.464 240 L HA 0.244 4.584 4.340 -0.000 0.000 0.264 240 L C -2.181 174.714 176.870 0.042 0.000 1.199 240 L CA -1.935 52.927 54.840 0.037 0.000 0.818 240 L CB -0.269 41.802 42.059 0.020 0.000 1.102 240 L HN -0.106 nan 8.230 nan 0.000 0.473 241 P HA 0.007 nan 4.420 nan 0.000 0.261 241 P C 0.650 177.966 177.300 0.026 0.000 1.183 241 P CA 0.742 63.855 63.100 0.022 0.000 0.761 241 P CB 0.443 32.146 31.700 0.006 0.000 0.785 242 G N 3.115 111.940 108.800 0.042 0.000 2.155 242 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.257 242 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.257 242 G C 0.827 175.758 174.900 0.051 0.000 0.983 242 G CA 0.132 45.258 45.100 0.042 0.000 0.676 242 G HN 0.396 nan 8.290 nan 0.000 0.528 243 M N -1.147 118.499 119.600 0.076 0.000 2.534 243 M HA 0.240 4.719 4.480 -0.000 0.000 0.263 243 M C 2.046 178.397 176.300 0.085 0.000 1.152 243 M CA 0.160 55.493 55.300 0.056 0.000 1.145 243 M CB -0.926 31.703 32.600 0.047 0.000 1.333 243 M HN 0.569 nan 8.290 nan 0.000 0.477 244 W N 2.490 123.782 121.300 -0.014 0.000 2.338 244 W HA -0.242 4.419 4.660 0.003 0.000 0.304 244 W C 0.883 177.391 176.519 -0.018 0.000 1.212 244 W CA 1.852 59.193 57.345 -0.006 0.000 1.264 244 W CB -0.060 29.407 29.460 0.011 0.000 1.142 244 W HN 0.277 nan 8.180 nan 0.000 0.512 245 E N 0.117 120.338 120.200 0.035 0.000 2.472 245 E HA -0.178 4.172 4.350 -0.000 0.000 0.200 245 E C 1.526 178.039 176.600 -0.144 0.000 1.046 245 E CA 1.058 57.421 56.400 -0.061 0.000 0.871 245 E CB -0.279 29.450 29.700 0.049 0.000 0.806 245 E HN 0.445 nan 8.360 nan 0.000 0.533 246 R N -0.941 119.465 120.500 -0.157 0.000 2.592 246 R HA 0.277 4.617 4.340 -0.000 0.000 0.439 246 R C -0.519 175.659 176.300 -0.202 0.000 0.995 246 R CA -0.261 55.741 56.100 -0.164 0.000 1.141 246 R CB 0.296 30.541 30.300 -0.092 0.000 1.495 246 R HN -0.159 nan 8.270 nan 0.000 0.579 247 T N 1.610 115.999 114.554 -0.276 0.000 2.876 247 T HA 0.518 4.868 4.350 -0.000 0.000 0.289 247 T C -1.104 173.358 174.700 -0.398 0.000 1.014 247 T CA -0.599 61.332 62.100 -0.281 0.000 0.986 247 T CB 2.268 71.015 68.868 -0.202 0.000 1.021 247 T HN 0.268 nan 8.240 nan 0.000 0.458 248 I N 2.921 123.282 120.570 -0.348 0.000 2.447 248 I HA 0.562 4.732 4.170 -0.000 0.000 0.287 248 I C -0.248 175.636 176.117 -0.387 0.000 1.023 248 I CA -0.103 60.971 61.300 -0.377 0.000 1.083 248 I CB 1.529 39.356 38.000 -0.287 0.000 1.245 248 I HN 0.734 nan 8.210 nan 0.000 0.434 249 T N 5.734 119.948 114.554 -0.566 0.000 2.823 249 T HA 0.744 5.094 4.350 -0.000 0.000 0.279 249 T C -0.352 174.019 174.700 -0.549 0.000 0.998 249 T CA -0.565 61.169 62.100 -0.611 0.000 0.994 249 T CB 1.165 69.483 68.868 -0.916 0.000 0.960 249 T HN 0.434 nan 8.240 nan 0.000 0.448 250 I N 1.834 122.207 120.570 -0.328 0.000 2.569 250 I HA 0.733 4.903 4.170 -0.000 0.000 0.296 250 I C 0.645 176.616 176.117 -0.243 0.000 1.028 250 I CA -0.839 60.312 61.300 -0.249 0.000 1.082 250 I CB 2.295 40.161 38.000 -0.224 0.000 1.264 250 I HN 0.979 nan 8.210 nan 0.000 0.429 251 G N 2.272 110.836 108.800 -0.392 0.000 2.798 251 G HA2 0.688 4.648 3.960 -0.000 0.000 0.286 251 G HA3 0.688 4.648 3.960 -0.000 0.000 0.286 251 G C -1.682 172.610 174.900 -1.013 0.000 1.389 251 G CA -0.535 44.288 45.100 -0.463 0.000 0.894 251 G HN 0.538 nan 8.290 nan 0.000 0.488 252 S N -1.601 113.623 115.700 -0.793 0.000 2.546 252 S HA 0.585 5.054 4.470 -0.000 0.000 0.272 252 S C 0.910 175.300 174.600 -0.348 0.000 1.140 252 S CA 0.575 58.332 58.200 -0.738 0.000 0.920 252 S CB 1.552 64.517 63.200 -0.390 0.000 1.083 252 S HN 1.658 nan 8.310 nan 0.000 0.476 253 A N 3.943 126.669 122.820 -0.157 0.000 1.968 253 A HA 0.371 4.691 4.320 -0.000 0.000 0.217 253 A C 1.465 179.230 177.584 0.301 0.000 1.169 253 A CA 1.166 53.483 52.037 0.467 0.000 0.638 253 A CB -1.398 18.040 19.000 0.730 0.000 0.812 253 A HN 1.295 nan 8.150 nan 0.000 0.446 257 F N 2.433 122.514 119.950 0.217 0.000 2.639 257 F HA 0.480 5.007 4.527 -0.001 0.000 0.302 257 F C 1.052 176.857 175.800 0.008 0.000 1.097 257 F CA -0.156 57.909 58.000 0.108 0.000 1.294 257 F CB 0.300 39.197 39.000 -0.171 0.000 1.027 257 F HN -0.009 nan 8.300 nan 0.000 0.550 258 S N 1.026 116.869 115.700 0.238 0.000 3.682 258 S HA -0.206 4.264 4.470 -0.000 0.000 0.354 258 S C -0.002 174.521 174.600 -0.128 0.000 1.034 258 S CA 0.308 58.597 58.200 0.148 0.000 1.084 258 S CB -1.899 61.474 63.200 0.288 0.000 0.903 258 S HN 0.361 nan 8.310 nan 0.000 0.470 259 L N 0.779 121.877 121.223 -0.207 0.000 2.637 259 L HA 0.277 4.617 4.340 -0.000 0.000 0.241 259 L C 1.423 178.137 176.870 -0.260 0.000 1.398 259 L CA -0.192 54.358 54.840 -0.484 0.000 0.895 259 L CB 0.868 42.223 42.059 -1.175 0.000 1.183 259 L HN 0.242 nan 8.230 nan 0.000 0.497 260 T N 0.091 114.551 114.554 -0.156 0.000 2.962 260 T HA -0.086 4.264 4.350 -0.000 0.000 0.270 260 T C 1.736 176.409 174.700 -0.045 0.000 1.088 260 T CA 1.666 63.733 62.100 -0.056 0.000 1.127 260 T CB 0.099 68.954 68.868 -0.021 0.000 0.883 260 T HN 0.698 nan 8.240 nan 0.000 0.493 261 G N -1.231 107.529 108.800 -0.067 0.000 2.920 261 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.208 261 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.208 261 G C 0.928 175.994 174.900 0.277 0.000 1.159 261 G CA -0.153 44.973 45.100 0.044 0.000 0.784 261 G HN 0.474 nan 8.290 nan 0.000 0.535 262 W N 0.197 121.479 121.300 -0.031 0.000 2.737 262 W HA 0.311 4.970 4.660 -0.001 0.000 0.262 262 W C 0.693 177.227 176.519 0.024 0.000 1.282 262 W CA -0.630 56.716 57.345 0.001 0.000 1.386 262 W CB 0.315 29.791 29.460 0.026 0.000 1.099 262 W HN -0.024 nan 8.180 nan 0.000 0.621 263 K N 0.704 121.245 120.400 0.236 0.000 3.730 263 K HA -0.194 4.125 4.320 -0.000 0.000 0.276 263 K C -0.595 176.103 176.600 0.163 0.000 0.904 263 K CA 0.803 57.178 56.287 0.146 0.000 0.741 263 K CB -1.882 30.673 32.500 0.092 0.000 1.542 263 K HN 0.085 nan 8.250 nan 0.000 0.446 264 I N 0.334 121.022 120.570 0.197 0.000 2.499 264 I HA 0.469 4.639 4.170 -0.000 0.000 0.288 264 I C 0.993 177.173 176.117 0.104 0.000 1.048 264 I CA -0.333 61.101 61.300 0.223 0.000 1.062 264 I CB 2.034 40.241 38.000 0.345 0.000 1.238 264 I HN 0.346 nan 8.210 nan 0.000 0.426 265 G N 5.049 113.867 108.800 0.030 0.000 3.086 265 G HA2 0.809 4.769 3.960 -0.000 0.000 0.282 265 G HA3 0.809 4.769 3.960 -0.000 0.000 0.282 265 G C -2.309 172.575 174.900 -0.026 0.000 1.343 265 G CA -0.523 44.351 45.100 -0.377 0.000 0.895 265 G HN 0.606 nan 8.290 nan 0.000 0.557 266 W N -2.619 118.734 121.300 0.089 0.000 3.153 266 W HA 0.789 5.448 4.660 -0.001 0.000 0.316 266 W C -0.636 175.868 176.519 -0.024 0.000 1.255 266 W CA -1.383 55.991 57.345 0.048 0.000 1.192 266 W CB 1.136 30.650 29.460 0.089 0.000 1.400 266 W HN 0.985 nan 8.180 nan 0.000 0.568 267 A N 1.961 124.901 122.820 0.201 0.000 2.355 267 A HA 0.910 5.230 4.320 -0.000 0.000 0.317 267 A C -1.789 175.843 177.584 0.079 0.000 1.094 267 A CA -0.952 51.100 52.037 0.025 0.000 0.764 267 A CB 0.892 19.852 19.000 -0.066 0.000 1.230 267 A HN 1.150 nan 8.150 nan 0.000 0.448 268 Y N -0.135 120.126 120.300 -0.066 0.000 2.545 268 Y HA 0.901 5.452 4.550 0.001 0.000 0.348 268 Y C 0.195 175.970 175.900 -0.208 0.000 1.002 268 Y CA -0.580 57.467 58.100 -0.088 0.000 1.039 268 Y CB 1.441 39.857 38.460 -0.074 0.000 1.271 268 Y HN 1.529 nan 8.280 nan 0.000 0.467 269 G N 0.846 109.583 108.800 -0.106 0.000 2.341 269 G HA2 0.349 4.309 3.960 -0.000 0.000 0.293 269 G HA3 0.349 4.309 3.960 -0.000 0.000 0.293 269 G C -3.520 171.131 174.900 -0.414 0.000 1.298 269 G CA -1.357 43.327 45.100 -0.694 0.000 0.868 269 G HN 0.478 nan 8.290 nan 0.000 0.540 270 P HA 0.139 nan 4.420 nan 0.000 0.265 270 P C 0.739 177.997 177.300 -0.069 0.000 1.187 270 P CA 0.194 63.197 63.100 -0.161 0.000 0.766 270 P CB 0.865 32.426 31.700 -0.232 0.000 0.820 271 E N 2.854 123.070 120.200 0.027 0.000 2.209 271 E HA -0.257 4.093 4.350 -0.000 0.000 0.196 271 E C 1.694 178.287 176.600 -0.012 0.000 0.993 271 E CA 1.338 57.743 56.400 0.008 0.000 0.819 271 E CB -0.199 29.525 29.700 0.040 0.000 0.745 271 E HN 0.498 nan 8.360 nan 0.000 0.477 272 A N 0.845 123.661 122.820 -0.007 0.000 1.902 272 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 272 A C 2.144 179.732 177.584 0.007 0.000 1.181 272 A CA 1.108 53.144 52.037 -0.001 0.000 0.623 272 A CB -0.477 18.523 19.000 0.000 0.000 0.818 272 A HN 0.294 nan 8.150 nan 0.000 0.443 273 L N -0.744 120.463 121.223 -0.026 0.000 2.131 273 L HA -0.024 4.316 4.340 -0.000 0.000 0.206 273 L C 2.336 179.250 176.870 0.074 0.000 1.087 273 L CA 0.456 55.315 54.840 0.033 0.000 0.767 273 L CB -0.369 41.602 42.059 -0.147 0.000 0.917 273 L HN 0.331 nan 8.230 nan 0.000 0.441 274 L N -0.210 120.988 121.223 -0.042 0.000 2.217 274 L HA -0.171 4.169 4.340 -0.000 0.000 0.211 274 L C 2.474 179.270 176.870 -0.123 0.000 1.107 274 L CA 0.917 55.706 54.840 -0.086 0.000 0.783 274 L CB -0.454 41.535 42.059 -0.118 0.000 0.919 274 L HN 0.229 nan 8.230 nan 0.000 0.442 275 K N 0.904 121.249 120.400 -0.091 0.000 2.074 275 K HA -0.192 4.128 4.320 -0.000 0.000 0.209 275 K C 1.803 178.331 176.600 -0.119 0.000 1.048 275 K CA 1.600 57.828 56.287 -0.098 0.000 0.926 275 K CB -0.102 32.373 32.500 -0.042 0.000 0.713 275 K HN 0.375 nan 8.250 nan 0.000 0.444 276 N N -0.057 118.550 118.700 -0.154 0.000 2.120 276 N HA -0.145 4.595 4.740 -0.000 0.000 0.188 276 N C 1.617 177.003 175.510 -0.206 0.000 1.024 276 N CA 1.343 54.234 53.050 -0.266 0.000 0.852 276 N CB -0.125 37.951 38.487 -0.685 0.000 1.003 276 N HN 0.152 nan 8.380 nan 0.000 0.424 277 L N 1.254 122.378 121.223 -0.165 0.000 2.083 277 L HA -0.172 4.168 4.340 -0.000 0.000 0.209 277 L C 2.264 179.093 176.870 -0.069 0.000 1.083 277 L CA 1.281 56.061 54.840 -0.099 0.000 0.752 277 L CB -0.738 41.269 42.059 -0.087 0.000 0.899 277 L HN 0.209 nan 8.230 nan 0.000 0.433 278 Q N -0.525 119.174 119.800 -0.167 0.000 2.124 278 Q HA -0.172 4.168 4.340 -0.000 0.000 0.202 278 Q C 2.366 178.416 176.000 0.083 0.000 0.977 278 Q CA 1.241 56.921 55.803 -0.204 0.000 0.850 278 Q CB -0.104 28.298 28.738 -0.560 0.000 0.901 278 Q HN 0.433 nan 8.270 nan 0.000 0.429 279 M N -0.096 119.527 119.600 0.038 0.000 2.175 279 M HA -0.120 4.360 4.480 -0.000 0.000 0.264 279 M C 2.266 178.623 176.300 0.096 0.000 1.063 279 M CA 1.132 56.479 55.300 0.079 0.000 1.119 279 M CB -0.742 31.869 32.600 0.020 0.000 1.377 279 M HN 0.095 nan 8.290 nan 0.000 0.415 280 V N -0.586 119.371 119.914 0.072 0.000 2.270 280 V HA -0.283 3.837 4.120 -0.000 0.000 0.245 280 V C 2.415 178.619 176.094 0.183 0.000 1.043 280 V CA 2.305 64.665 62.300 0.101 0.000 1.014 280 V CB -1.181 30.677 31.823 0.059 0.000 0.645 280 V HN 0.462 nan 8.190 nan 0.000 0.447 281 H N 1.138 120.279 119.070 0.118 0.000 2.319 281 H HA -0.260 4.295 4.556 -0.001 0.000 0.297 281 H C 2.399 177.847 175.328 0.199 0.000 1.097 281 H CA 2.428 58.571 56.048 0.159 0.000 1.285 281 H CB -0.198 29.645 29.762 0.134 0.000 1.368 281 H HN 0.634 nan 8.280 nan 0.000 0.495 282 Q N -0.213 119.743 119.800 0.258 0.000 2.291 282 Q HA -0.120 4.220 4.340 -0.000 0.000 0.205 282 Q C 0.579 176.679 176.000 0.167 0.000 0.970 282 Q CA 1.813 57.777 55.803 0.269 0.000 0.876 282 Q CB -0.027 28.942 28.738 0.386 0.000 0.935 282 Q HN 0.572 nan 8.270 nan 0.000 0.455 283 N N -1.015 117.755 118.700 0.117 0.000 2.235 283 N HA 0.155 4.895 4.740 -0.000 0.000 0.231 283 N C 0.140 175.694 175.510 0.073 0.000 1.177 283 N CA -0.136 52.963 53.050 0.082 0.000 0.874 283 N CB 1.002 39.534 38.487 0.076 0.000 1.097 283 N HN 0.277 nan 8.380 nan 0.000 0.518 284 C N -1.015 118.320 119.300 0.058 0.000 2.463 284 C HA 0.264 4.724 4.460 -0.000 0.000 0.322 284 C C 1.876 176.870 174.990 0.007 0.000 1.556 284 C CA 0.376 59.429 59.018 0.058 0.000 2.225 284 C CB -0.371 27.443 27.740 0.124 0.000 1.995 284 C HN 0.262 nan 8.230 nan 0.000 0.678 285 V N -2.500 117.370 119.914 -0.073 0.000 3.562 285 V HA 0.322 4.442 4.120 -0.000 0.000 0.270 285 V C 1.295 177.368 176.094 -0.034 0.000 1.418 285 V CA 1.289 63.555 62.300 -0.056 0.000 1.033 285 V CB -0.817 30.974 31.823 -0.053 0.000 0.820 285 V HN 0.776 nan 8.190 nan 0.000 0.441 286 Y N 0.722 120.837 120.300 -0.309 0.000 2.769 286 Y HA -0.399 4.151 4.550 -0.001 0.000 0.487 286 Y C 0.726 176.565 175.900 -0.102 0.000 1.131 286 Y CA 2.470 60.446 58.100 -0.207 0.000 2.888 286 Y CB -1.351 37.034 38.460 -0.124 0.000 0.920 286 Y HN 0.625 nan 8.280 nan 0.000 0.553 287 T N 0.147 114.515 114.554 -0.309 0.000 2.843 287 T HA 0.635 4.985 4.350 -0.000 0.000 0.302 287 T C -1.254 173.476 174.700 0.050 0.000 1.232 287 T CA -0.019 61.955 62.100 -0.211 0.000 1.009 287 T CB 1.149 69.782 68.868 -0.392 0.000 1.254 287 T HN 0.486 nan 8.240 nan 0.000 0.504 288 C N 1.917 121.281 119.300 0.108 0.000 2.505 288 C HA 0.909 5.368 4.460 -0.000 0.000 0.358 288 C C 0.868 175.902 174.990 0.074 0.000 1.226 288 C CA -0.920 58.172 59.018 0.123 0.000 1.900 288 C CB 0.856 28.698 27.740 0.170 0.000 2.306 288 C HN 1.104 nan 8.230 nan 0.000 0.512 289 A N 1.204 124.048 122.820 0.040 0.000 2.548 289 A HA 0.337 4.657 4.320 -0.000 0.000 0.247 289 A C 1.391 178.925 177.584 -0.084 0.000 1.067 289 A CA 0.847 52.869 52.037 -0.025 0.000 0.757 289 A CB 0.024 18.985 19.000 -0.065 0.000 0.996 289 A HN 1.139 nan 8.150 nan 0.000 0.504 290 T N 0.440 114.921 114.554 -0.122 0.000 2.770 290 T HA -0.014 4.336 4.350 -0.000 0.000 0.263 290 T C -0.559 173.957 174.700 -0.305 0.000 1.039 290 T CA 1.238 63.182 62.100 -0.261 0.000 1.142 290 T CB -1.132 67.620 68.868 -0.193 0.000 0.868 290 T HN 0.502 nan 8.240 nan 0.000 0.435 291 P HA 0.072 nan 4.420 nan 0.000 0.219 291 P C 1.619 178.749 177.300 -0.283 0.000 1.150 291 P CA 0.598 63.564 63.100 -0.223 0.000 0.814 291 P CB -0.227 31.354 31.700 -0.200 0.000 0.787 292 I N 0.120 120.495 120.570 -0.324 0.000 2.202 292 I HA -0.183 3.987 4.170 -0.000 0.000 0.242 292 I C 2.448 178.464 176.117 -0.167 0.000 1.091 292 I CA 1.484 62.527 61.300 -0.428 0.000 1.368 292 I CB -1.792 35.983 38.000 -0.375 0.000 1.058 292 I HN 0.089 nan 8.210 nan 0.000 0.410 293 Q N 0.213 119.964 119.800 -0.081 0.000 2.124 293 Q HA -0.262 4.078 4.340 -0.000 0.000 0.202 293 Q C 2.134 178.205 176.000 0.119 0.000 0.977 293 Q CA 1.721 57.565 55.803 0.068 0.000 0.850 293 Q CB -0.095 28.665 28.738 0.037 0.000 0.901 293 Q HN 0.450 nan 8.270 nan 0.000 0.429 294 E N 0.784 120.961 120.200 -0.038 0.000 2.051 294 E HA -0.172 4.178 4.350 -0.000 0.000 0.192 294 E C 1.785 178.438 176.600 0.087 0.000 0.991 294 E CA 1.431 57.893 56.400 0.102 0.000 0.799 294 E CB -0.205 29.509 29.700 0.024 0.000 0.748 294 E HN 0.323 nan 8.360 nan 0.000 0.449 295 A N 0.438 123.256 122.820 -0.002 0.000 1.902 295 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 295 A C 2.317 179.966 177.584 0.108 0.000 1.181 295 A CA 1.593 53.649 52.037 0.032 0.000 0.623 295 A CB -0.716 18.233 19.000 -0.086 0.000 0.818 295 A HN 0.371 nan 8.150 nan 0.000 0.443 296 I N -0.251 120.420 120.570 0.168 0.000 2.315 296 I HA -0.236 3.934 4.170 -0.000 0.000 0.248 296 I C 2.916 179.151 176.117 0.197 0.000 1.117 296 I CA 0.904 62.284 61.300 0.134 0.000 1.404 296 I CB -0.320 37.912 38.000 0.387 0.000 1.071 296 I HN 0.340 nan 8.210 nan 0.000 0.419 297 A N 0.855 123.838 122.820 0.272 0.000 1.877 297 A HA -0.192 4.128 4.320 -0.000 0.000 0.216 297 A C 2.487 180.204 177.584 0.222 0.000 1.186 297 A CA 2.135 54.351 52.037 0.299 0.000 0.620 297 A CB -1.161 17.984 19.000 0.242 0.000 0.822 297 A HN 0.369 nan 8.150 nan 0.000 0.443 298 V N -1.313 118.685 119.914 0.141 0.000 2.490 298 V HA -0.036 4.084 4.120 -0.000 0.000 0.250 298 V C 2.201 178.342 176.094 0.078 0.000 1.061 298 V CA 2.233 64.591 62.300 0.097 0.000 1.064 298 V CB -1.545 30.324 31.823 0.076 0.000 0.670 298 V HN 0.419 nan 8.190 nan 0.000 0.461 299 G N -0.481 108.334 108.800 0.026 0.000 2.421 299 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.216 299 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.216 299 G C 1.426 176.385 174.900 0.098 0.000 1.171 299 G CA 1.137 46.216 45.100 -0.036 0.000 0.775 299 G HN 0.555 nan 8.290 nan 0.000 0.543 300 F N 1.073 121.198 119.950 0.292 0.000 2.134 300 F HA -0.001 4.526 4.527 -0.000 0.000 0.299 300 F C 2.856 178.744 175.800 0.147 0.000 1.097 300 F CA 1.427 59.638 58.000 0.351 0.000 1.264 300 F CB -0.036 39.130 39.000 0.276 0.000 1.001 300 F HN 0.180 nan 8.300 nan 0.000 0.479 301 E N -0.397 119.957 120.200 0.257 0.000 2.085 301 E HA -0.195 4.155 4.350 -0.000 0.000 0.194 301 E C 2.099 178.717 176.600 0.031 0.000 0.994 301 E CA 1.832 58.304 56.400 0.119 0.000 0.801 301 E CB -0.388 29.360 29.700 0.078 0.000 0.743 301 E HN 0.345 nan 8.360 nan 0.000 0.453 302 T N 1.236 115.766 114.554 -0.040 0.000 2.708 302 T HA -0.140 4.210 4.350 -0.000 0.000 0.266 302 T C 1.646 176.225 174.700 -0.203 0.000 1.037 302 T CA 1.113 63.096 62.100 -0.196 0.000 1.146 302 T CB -0.110 68.478 68.868 -0.466 0.000 0.865 302 T HN 0.096 nan 8.240 nan 0.000 0.435 303 E N 0.825 120.920 120.200 -0.176 0.000 2.106 303 E HA -0.004 4.346 4.350 -0.000 0.000 0.192 303 E C 2.249 178.805 176.600 -0.073 0.000 0.984 303 E CA 0.474 56.728 56.400 -0.243 0.000 0.806 303 E CB -0.474 28.892 29.700 -0.556 0.000 0.750 303 E HN 0.264 nan 8.360 nan 0.000 0.458 304 L N 1.482 122.740 121.223 0.059 0.000 2.081 304 L HA -0.201 4.139 4.340 -0.000 0.000 0.212 304 L C 2.028 178.908 176.870 0.016 0.000 1.080 304 L CA 1.667 56.551 54.840 0.075 0.000 0.754 304 L CB -0.562 41.548 42.059 0.086 0.000 0.893 304 L HN 0.049 nan 8.230 nan 0.000 0.433 305 K N -0.348 120.041 120.400 -0.018 0.000 2.439 305 K HA -0.030 4.290 4.320 -0.000 0.000 0.197 305 K C 0.893 177.471 176.600 -0.037 0.000 1.041 305 K CA 0.650 56.920 56.287 -0.029 0.000 0.970 305 K CB 0.105 32.578 32.500 -0.045 0.000 0.773 305 K HN 0.428 nan 8.250 nan 0.000 0.479 306 R N -0.420 120.051 120.500 -0.049 0.000 2.582 306 R HA 0.128 4.468 4.340 -0.000 0.000 0.453 306 R C 0.783 177.063 176.300 -0.033 0.000 0.969 306 R CA -0.256 55.816 56.100 -0.046 0.000 1.113 306 R CB -0.298 29.959 30.300 -0.071 0.000 1.507 306 R HN -0.114 nan 8.270 nan 0.000 0.587 307 L N 1.890 123.111 121.223 -0.003 0.000 2.189 307 L HA -0.146 4.194 4.340 -0.000 0.000 0.214 307 L C 1.485 178.384 176.870 0.047 0.000 1.097 307 L CA 1.814 56.680 54.840 0.043 0.000 0.764 307 L CB -0.012 42.094 42.059 0.079 0.000 0.900 307 L HN 0.260 nan 8.230 nan 0.000 0.436 308 K N -2.257 118.160 120.400 0.027 0.000 2.374 308 K HA 0.233 4.553 4.320 -0.000 0.000 0.196 308 K C 0.709 177.322 176.600 0.021 0.000 1.023 308 K CA 0.014 56.318 56.287 0.029 0.000 1.103 308 K CB 0.241 32.754 32.500 0.022 0.000 0.848 308 K HN 0.095 nan 8.250 nan 0.000 0.528 309 S N 2.630 118.336 115.700 0.010 0.000 2.585 309 S HA 0.214 4.683 4.470 -0.000 0.000 0.277 309 S C -1.855 172.753 174.600 0.014 0.000 1.241 309 S CA -1.305 56.900 58.200 0.007 0.000 1.041 309 S CB 1.626 64.822 63.200 -0.006 0.000 0.987 309 S HN -0.083 nan 8.310 nan 0.000 0.512 310 P HA -0.068 nan 4.420 nan 0.000 0.222 310 P C 0.351 177.672 177.300 0.036 0.000 1.147 310 P CA 0.818 63.937 63.100 0.032 0.000 0.790 310 P CB 0.056 31.776 31.700 0.033 0.000 0.780 311 E N -1.479 118.737 120.200 0.028 0.000 2.482 311 E HA -0.020 4.330 4.350 -0.000 0.000 0.196 311 E C 0.601 177.220 176.600 0.032 0.000 1.047 311 E CA -0.079 56.344 56.400 0.039 0.000 0.869 311 E CB -1.164 28.551 29.700 0.025 0.000 0.836 311 E HN 0.151 nan 8.360 nan 0.000 0.520 312 C N 1.421 120.717 119.300 -0.007 0.000 2.633 312 C HA 0.001 4.460 4.460 -0.000 0.000 0.415 312 C C 1.526 176.501 174.990 -0.025 0.000 1.393 312 C CA -0.523 58.449 59.018 -0.077 0.000 1.700 312 C CB -0.830 26.847 27.740 -0.105 0.000 2.541 312 C HN 0.502 nan 8.230 nan 0.000 0.603 313 Y N 4.950 125.131 120.300 -0.198 0.000 2.315 313 Y HA -0.073 4.476 4.550 -0.000 0.000 0.288 313 Y C 1.607 177.495 175.900 -0.019 0.000 1.154 313 Y CA 1.967 60.022 58.100 -0.075 0.000 1.229 313 Y CB -0.470 37.990 38.460 0.000 0.000 0.980 313 Y HN 0.818 nan 8.280 nan 0.000 0.540 314 F N -0.286 119.572 119.950 -0.152 0.000 2.269 314 F HA -0.185 4.342 4.527 0.000 0.000 0.301 314 F C 1.972 177.682 175.800 -0.149 0.000 1.082 314 F CA 1.008 58.820 58.000 -0.314 0.000 1.360 314 F CB -0.989 37.775 39.000 -0.393 0.000 1.041 314 F HN 0.138 nan 8.300 nan 0.000 0.512 315 N N -0.679 118.063 118.700 0.071 0.000 2.432 315 N HA -0.057 4.683 4.740 -0.000 0.000 0.174 315 N C 2.024 177.548 175.510 0.024 0.000 1.037 315 N CA 1.234 54.319 53.050 0.057 0.000 0.892 315 N CB -0.422 38.100 38.487 0.059 0.000 1.049 315 N HN 0.286 nan 8.380 nan 0.000 0.442 316 S N 0.535 116.239 115.700 0.006 0.000 2.446 316 S HA 0.065 4.535 4.470 -0.000 0.000 0.225 316 S C 1.990 176.579 174.600 -0.018 0.000 1.016 316 S CA -0.075 58.145 58.200 0.033 0.000 0.943 316 S CB -0.292 62.973 63.200 0.108 0.000 0.786 316 S HN 0.190 nan 8.310 nan 0.000 0.508 317 I N 3.173 123.623 120.570 -0.201 0.000 2.264 317 I HA -0.234 3.936 4.170 -0.000 0.000 0.248 317 I C 2.514 178.583 176.117 -0.081 0.000 1.111 317 I CA 1.762 62.905 61.300 -0.262 0.000 1.382 317 I CB -0.389 37.280 38.000 -0.553 0.000 1.060 317 I HN 0.544 nan 8.210 nan 0.000 0.418 318 S N 0.187 115.860 115.700 -0.044 0.000 2.368 318 S HA -0.111 4.358 4.470 -0.000 0.000 0.225 318 S C 2.227 176.986 174.600 0.265 0.000 1.030 318 S CA 0.941 59.183 58.200 0.069 0.000 0.999 318 S CB -1.710 61.499 63.200 0.015 0.000 0.844 318 S HN 0.538 nan 8.310 nan 0.000 0.459 319 G N 1.484 110.381 108.800 0.161 0.000 2.422 319 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.218 319 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.218 319 G C 1.354 176.339 174.900 0.143 0.000 1.146 319 G CA 0.864 46.054 45.100 0.149 0.000 0.769 319 G HN 0.696 nan 8.290 nan 0.000 0.547 320 E N -0.411 119.872 120.200 0.138 0.000 2.077 320 E HA -0.102 4.248 4.350 -0.000 0.000 0.193 320 E C 2.273 178.981 176.600 0.179 0.000 0.989 320 E CA 0.657 57.149 56.400 0.153 0.000 0.800 320 E CB -0.124 29.684 29.700 0.180 0.000 0.746 320 E HN 0.285 nan 8.360 nan 0.000 0.452 321 L N 0.613 121.964 121.223 0.215 0.000 2.240 321 L HA 0.004 4.344 4.340 -0.000 0.000 0.211 321 L C 2.376 179.406 176.870 0.267 0.000 1.106 321 L CA 1.359 56.398 54.840 0.331 0.000 0.793 321 L CB -0.635 41.672 42.059 0.414 0.000 0.927 321 L HN 0.351 nan 8.230 nan 0.000 0.446 322 M N -0.995 118.707 119.600 0.171 0.000 2.159 322 M HA -0.180 4.300 4.480 -0.000 0.000 0.263 322 M C 2.184 178.356 176.300 -0.213 0.000 1.063 322 M CA 1.875 57.022 55.300 -0.256 0.000 1.110 322 M CB -0.031 32.503 32.600 -0.110 0.000 1.374 322 M HN 0.174 nan 8.290 nan 0.000 0.411 323 A N 0.912 123.701 122.820 -0.052 0.000 1.902 323 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 323 A C 2.055 179.618 177.584 -0.035 0.000 1.181 323 A CA 2.003 54.019 52.037 -0.034 0.000 0.623 323 A CB -0.605 18.402 19.000 0.011 0.000 0.818 323 A HN 0.620 nan 8.150 nan 0.000 0.443 324 K N -0.751 119.647 120.400 -0.002 0.000 2.057 324 K HA -0.156 4.164 4.320 -0.000 0.000 0.207 324 K C 2.404 178.850 176.600 -0.257 0.000 1.049 324 K CA 1.247 57.562 56.287 0.047 0.000 0.931 324 K CB -0.251 32.417 32.500 0.280 0.000 0.714 324 K HN 0.387 nan 8.250 nan 0.000 0.440 325 R N 1.709 121.772 120.500 -0.727 0.000 2.080 325 R HA -0.190 4.149 4.340 -0.000 0.000 0.236 325 R C 1.317 177.226 176.300 -0.652 0.000 1.137 325 R CA 2.192 57.474 56.100 -1.362 0.000 0.943 325 R CB -0.446 29.078 30.300 -1.293 0.000 0.846 325 R HN 0.158 nan 8.270 nan 0.000 0.431 326 D N -0.408 119.750 120.400 -0.404 0.000 2.149 326 D HA -0.190 4.450 4.640 -0.000 0.000 0.198 326 D C 1.695 177.900 176.300 -0.159 0.000 0.990 326 D CA 1.158 55.018 54.000 -0.234 0.000 0.839 326 D CB -0.550 40.162 40.800 -0.146 0.000 0.948 326 D HN 0.315 nan 8.370 nan 0.000 0.460 327 Y N 0.831 121.009 120.300 -0.203 0.000 2.145 327 Y HA -0.201 4.349 4.550 -0.000 0.000 0.286 327 Y C 2.440 178.180 175.900 -0.267 0.000 1.145 327 Y CA 1.714 59.754 58.100 -0.101 0.000 1.148 327 Y CB -0.281 38.188 38.460 0.016 0.000 0.981 327 Y HN -0.097 nan 8.280 nan 0.000 0.507 328 M N -0.288 119.098 119.600 -0.357 0.000 2.132 328 M HA -0.128 4.352 4.480 -0.000 0.000 0.263 328 M C 2.243 178.023 176.300 -0.867 0.000 1.065 328 M CA 2.033 56.731 55.300 -1.003 0.000 1.122 328 M CB -0.283 32.059 32.600 -0.430 0.000 1.365 328 M HN 0.305 nan 8.290 nan 0.000 0.411 329 A N -0.307 122.240 122.820 -0.456 0.000 1.940 329 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 329 A C 2.145 179.583 177.584 -0.245 0.000 1.176 329 A CA 2.249 54.123 52.037 -0.271 0.000 0.631 329 A CB -0.973 17.917 19.000 -0.183 0.000 0.814 329 A HN 0.629 nan 8.150 nan 0.000 0.446 330 S N -0.212 115.319 115.700 -0.282 0.000 2.355 330 S HA -0.116 4.354 4.470 -0.000 0.000 0.222 330 S C 1.639 176.157 174.600 -0.137 0.000 1.031 330 S CA 1.641 59.729 58.200 -0.186 0.000 0.993 330 S CB -0.594 62.497 63.200 -0.182 0.000 0.859 330 S HN 0.868 nan 8.310 nan 0.000 0.453 331 F N 1.391 121.218 119.950 -0.204 0.000 2.325 331 F HA 0.232 4.758 4.527 -0.000 0.000 0.299 331 F C 1.608 177.391 175.800 -0.029 0.000 1.090 331 F CA 0.361 58.270 58.000 -0.151 0.000 1.392 331 F CB -0.948 37.912 39.000 -0.233 0.000 1.053 331 F HN 0.061 nan 8.300 nan 0.000 0.521 332 L N 0.692 121.906 121.223 -0.016 0.000 2.072 332 L HA -0.018 4.322 4.340 -0.000 0.000 0.205 332 L C 2.924 179.878 176.870 0.141 0.000 1.079 332 L CA 1.091 56.015 54.840 0.140 0.000 0.752 332 L CB -1.049 41.051 42.059 0.069 0.000 0.906 332 L HN 0.314 nan 8.230 nan 0.000 0.436 333 A N -0.207 122.649 122.820 0.060 0.000 1.972 333 A HA -0.242 4.078 4.320 -0.000 0.000 0.219 333 A C 2.283 179.910 177.584 0.073 0.000 1.169 333 A CA 1.719 53.794 52.037 0.063 0.000 0.635 333 A CB -0.499 18.516 19.000 0.025 0.000 0.810 333 A HN 0.486 nan 8.150 nan 0.000 0.446 334 E N 0.836 121.085 120.200 0.081 0.000 2.058 334 E HA -0.172 4.178 4.350 -0.000 0.000 0.194 334 E C 1.842 178.501 176.600 0.098 0.000 0.997 334 E CA 2.304 58.753 56.400 0.082 0.000 0.801 334 E CB -0.434 29.323 29.700 0.094 0.000 0.746 334 E HN 0.451 nan 8.360 nan 0.000 0.450 335 V N -1.105 118.903 119.914 0.156 0.000 2.913 335 V HA 0.091 4.211 4.120 -0.000 0.000 0.260 335 V C 1.901 178.069 176.094 0.123 0.000 1.098 335 V CA 1.193 63.596 62.300 0.171 0.000 1.121 335 V CB -0.599 31.414 31.823 0.316 0.000 0.714 335 V HN 0.490 nan 8.190 nan 0.000 0.487 336 G N -1.012 107.859 108.800 0.117 0.000 2.192 336 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.193 336 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.193 336 G C -0.005 174.961 174.900 0.110 0.000 0.999 336 G CA 0.031 45.182 45.100 0.084 0.000 0.659 336 G HN 0.362 nan 8.290 nan 0.000 0.503 337 M N 0.360 120.063 119.600 0.171 0.000 2.197 337 M HA 0.314 4.794 4.480 -0.000 0.000 0.305 337 M C 0.310 176.688 176.300 0.130 0.000 1.162 337 M CA 0.076 55.484 55.300 0.180 0.000 1.099 337 M CB 0.511 33.286 32.600 0.291 0.000 1.430 337 M HN 0.076 nan 8.290 nan 0.000 0.481 338 N N 2.294 121.069 118.700 0.124 0.000 2.569 338 N HA 0.391 5.131 4.740 -0.000 0.000 0.254 338 N C -2.638 172.986 175.510 0.189 0.000 1.004 338 N CA -1.177 51.945 53.050 0.121 0.000 0.904 338 N CB 1.678 40.215 38.487 0.084 0.000 1.165 338 N HN 0.302 nan 8.380 nan 0.000 0.513 339 P HA 0.158 nan 4.420 nan 0.000 0.282 339 P C -0.554 176.870 177.300 0.208 0.000 1.249 339 P CA -0.209 63.014 63.100 0.204 0.000 0.806 339 P CB 1.137 32.914 31.700 0.128 0.000 0.984 340 T N 2.161 116.863 114.554 0.247 0.000 2.739 340 T HA 0.187 4.537 4.350 -0.000 0.000 0.298 340 T C 0.353 175.134 174.700 0.134 0.000 0.929 340 T CA -0.232 62.006 62.100 0.230 0.000 1.014 340 T CB -0.214 68.802 68.868 0.246 0.000 0.914 340 T HN 0.091 nan 8.240 nan 0.000 0.509 341 V N 8.671 128.649 119.914 0.108 0.000 2.446 341 V HA 0.165 4.285 4.120 -0.000 0.000 0.276 341 V C -1.605 174.535 176.094 0.076 0.000 1.030 341 V CA -1.596 60.741 62.300 0.062 0.000 1.033 341 V CB -0.134 31.710 31.823 0.034 0.000 0.993 341 V HN 0.670 nan 8.190 nan 0.000 0.477 342 P HA 0.201 nan 4.420 nan 0.000 0.275 342 P C -0.090 177.341 177.300 0.217 0.000 1.228 342 P CA -0.332 62.856 63.100 0.147 0.000 0.786 342 P CB 1.112 32.972 31.700 0.266 0.000 0.927 343 Q N 0.474 120.310 119.800 0.060 0.000 2.389 343 Q HA 0.247 4.587 4.340 -0.000 0.000 0.204 343 Q C 0.964 177.090 176.000 0.210 0.000 0.944 343 Q CA 0.568 56.351 55.803 -0.034 0.000 0.908 343 Q CB 0.223 28.549 28.738 -0.686 0.000 1.002 343 Q HN 0.687 nan 8.270 nan 0.000 0.493 344 G N -1.578 107.282 108.800 0.100 0.000 2.646 344 G HA2 0.523 4.482 3.960 -0.000 0.000 0.291 344 G HA3 0.523 4.482 3.960 -0.000 0.000 0.291 344 G C -0.687 174.086 174.900 -0.211 0.000 1.445 344 G CA -0.227 44.715 45.100 -0.263 0.000 0.814 344 G HN 0.238 nan 8.290 nan 0.000 0.495 345 G N -1.003 107.525 108.800 -0.453 0.000 2.698 345 G HA2 0.196 4.156 3.960 -0.000 0.000 0.225 345 G HA3 0.196 4.156 3.960 -0.000 0.000 0.225 345 G C 0.121 174.765 174.900 -0.426 0.000 1.345 345 G CA 0.613 45.320 45.100 -0.655 0.000 0.871 345 G HN 2.257 nan 8.290 nan 0.000 0.540 346 Y N -2.702 117.145 120.300 -0.756 0.000 2.719 346 Y HA 0.756 5.306 4.550 -0.000 0.000 0.251 346 Y C 0.115 175.161 175.900 -1.425 0.000 1.159 346 Y CA -1.260 56.110 58.100 -1.217 0.000 1.166 346 Y CB 0.149 38.019 38.460 -0.982 0.000 1.219 346 Y HN 0.327 nan 8.280 nan 0.000 0.551 347 F N 2.591 122.268 119.950 -0.455 0.000 2.492 347 F HA 0.662 5.189 4.527 -0.000 0.000 0.327 347 F C -0.158 175.712 175.800 0.117 0.000 1.079 347 F CA -1.956 55.947 58.000 -0.162 0.000 0.967 347 F CB 2.125 41.020 39.000 -0.175 0.000 1.169 347 F HN 0.053 nan 8.300 nan 0.000 0.472 348 M N 3.089 122.966 119.600 0.461 0.000 2.213 348 M HA 0.577 5.057 4.480 -0.000 0.000 0.286 348 M C -2.054 174.403 176.300 0.263 0.000 1.008 348 M CA -0.554 54.980 55.300 0.391 0.000 0.937 348 M CB 1.446 34.339 32.600 0.487 0.000 1.600 348 M HN 0.288 nan 8.290 nan 0.000 0.450 349 V N 4.040 124.040 119.914 0.142 0.000 2.509 349 V HA 0.875 4.995 4.120 -0.000 0.000 0.284 349 V C 0.002 176.262 176.094 0.277 0.000 1.047 349 V CA -0.402 61.974 62.300 0.126 0.000 0.952 349 V CB 1.208 32.980 31.823 -0.084 0.000 0.988 349 V HN 0.909 nan 8.190 nan 0.000 0.469 350 A N 3.008 126.057 122.820 0.382 0.000 2.449 350 A HA 0.629 4.949 4.320 -0.000 0.000 0.302 350 A C -0.925 176.929 177.584 0.450 0.000 1.048 350 A CA -0.607 51.684 52.037 0.423 0.000 0.708 350 A CB 1.506 20.742 19.000 0.393 0.000 1.274 350 A HN 0.719 nan 8.150 nan 0.000 0.410 351 D N 3.347 123.902 120.400 0.258 0.000 2.336 351 D HA 0.239 4.879 4.640 -0.000 0.000 0.249 351 D C -0.213 176.010 176.300 -0.128 0.000 1.213 351 D CA -0.128 53.717 54.000 -0.259 0.000 0.870 351 D CB 0.345 40.912 40.800 -0.388 0.000 1.076 351 D HN 0.476 nan 8.370 nan 0.000 0.483 352 W N 3.673 124.805 121.300 -0.280 0.000 2.335 352 W HA 0.332 4.992 4.660 -0.001 0.000 0.306 352 W C -0.219 176.121 176.519 -0.297 0.000 1.216 352 W CA -1.157 56.014 57.345 -0.290 0.000 1.237 352 W CB -0.071 29.006 29.460 -0.639 0.000 1.243 352 W HN 0.377 nan 8.180 nan 0.000 0.493 353 S N 1.568 117.214 115.700 -0.090 0.000 2.651 353 S HA 0.245 4.715 4.470 -0.000 0.000 0.246 353 S C 0.147 174.742 174.600 -0.009 0.000 1.039 353 S CA -0.367 57.743 58.200 -0.149 0.000 1.013 353 S CB -0.239 62.877 63.200 -0.140 0.000 0.861 353 S HN 0.321 nan 8.310 nan 0.000 0.485 354 S N 1.605 117.385 115.700 0.135 0.000 2.598 354 S HA 0.484 4.954 4.470 -0.000 0.000 0.267 354 S C 0.198 174.899 174.600 0.170 0.000 1.189 354 S CA -0.739 57.567 58.200 0.177 0.000 1.010 354 S CB -0.091 63.327 63.200 0.363 0.000 1.084 354 S HN 0.545 nan 8.310 nan 0.000 0.541 355 L N 2.581 123.891 121.223 0.146 0.000 2.615 355 L HA 0.098 4.437 4.340 -0.000 0.000 0.271 355 L C 0.257 177.206 176.870 0.133 0.000 1.183 355 L CA -0.245 54.639 54.840 0.073 0.000 0.933 355 L CB -0.596 41.460 42.059 -0.006 0.000 1.199 355 L HN 0.457 nan 8.230 nan 0.000 0.487 356 D N 1.376 121.850 120.400 0.123 0.000 2.403 356 D HA 0.064 4.704 4.640 -0.000 0.000 0.278 356 D C 0.470 176.821 176.300 0.085 0.000 1.230 356 D CA -0.602 53.511 54.000 0.187 0.000 1.062 356 D CB 0.219 41.059 40.800 0.067 0.000 1.119 356 D HN 0.394 nan 8.370 nan 0.000 0.557 357 S N -0.382 115.372 115.700 0.090 0.000 4.027 357 S HA 0.009 4.479 4.470 -0.000 0.000 0.188 357 S C 0.728 175.333 174.600 0.008 0.000 1.230 357 S CA 0.080 58.304 58.200 0.041 0.000 0.920 357 S CB -0.552 62.681 63.200 0.055 0.000 1.577 357 S HN 0.280 nan 8.310 nan 0.000 0.445 358 K N 0.165 120.558 120.400 -0.012 0.000 2.403 358 K HA 0.299 4.619 4.320 -0.000 0.000 0.199 358 K C 1.301 177.892 176.600 -0.016 0.000 1.199 358 K CA 0.179 56.459 56.287 -0.013 0.000 0.924 358 K CB 0.254 32.746 32.500 -0.014 0.000 1.137 358 K HN 0.306 nan 8.250 nan 0.000 0.510 359 V N 0.319 120.212 119.914 -0.035 0.000 3.339 359 V HA -0.018 4.102 4.120 -0.000 0.000 0.201 359 V C 0.176 176.241 176.094 -0.048 0.000 1.489 359 V CA 0.653 62.940 62.300 -0.021 0.000 1.228 359 V CB 0.523 32.344 31.823 -0.003 0.000 1.152 359 V HN 0.185 nan 8.190 nan 0.000 0.519 360 D N 1.844 122.148 120.400 -0.160 0.000 2.183 360 D HA 0.050 4.690 4.640 -0.000 0.000 0.203 360 D C 0.992 177.042 176.300 -0.416 0.000 0.969 360 D CA 0.864 54.640 54.000 -0.374 0.000 0.842 360 D CB -0.333 39.913 40.800 -0.923 0.000 0.957 360 D HN 0.509 nan 8.370 nan 0.000 0.484 361 L N -0.493 120.573 121.223 -0.262 0.000 2.379 361 L HA 0.483 4.823 4.340 -0.000 0.000 0.269 361 L C 0.192 177.056 176.870 -0.010 0.000 1.084 361 L CA -0.233 54.537 54.840 -0.116 0.000 0.802 361 L CB 1.604 43.642 42.059 -0.035 0.000 1.175 361 L HN -0.033 nan 8.230 nan 0.000 0.448 362 T N 0.921 115.497 114.554 0.037 0.000 3.832 362 T HA 0.067 4.417 4.350 -0.000 0.000 0.157 362 T C -0.401 174.335 174.700 0.060 0.000 0.493 362 T CA -0.355 61.773 62.100 0.046 0.000 0.888 362 T CB -0.253 68.640 68.868 0.042 0.000 1.391 362 T HN 0.838 nan 8.240 nan 0.000 0.522 363 Q N 0.908 120.744 119.800 0.059 0.000 2.623 363 Q HA 0.296 4.635 4.340 -0.000 0.000 0.204 363 Q C 0.150 176.175 176.000 0.041 0.000 0.942 363 Q CA -0.632 55.206 55.803 0.057 0.000 0.459 363 Q CB 0.101 28.884 28.738 0.076 0.000 4.000 363 Q HN 0.637 nan 8.270 nan 0.000 0.282 364 E N 3.301 123.529 120.200 0.046 0.000 2.261 364 E HA 0.064 4.414 4.350 -0.000 0.000 0.308 364 E C 0.703 177.311 176.600 0.014 0.000 1.400 364 E CA 0.392 56.801 56.400 0.015 0.000 1.542 364 E CB -0.057 29.636 29.700 -0.011 0.000 1.369 364 E HN 0.514 nan 8.360 nan 0.000 0.493 365 T N -0.734 113.834 114.554 0.022 0.000 2.592 365 T HA -0.375 3.975 4.350 -0.000 0.000 0.267 365 T C 1.472 176.176 174.700 0.007 0.000 1.060 365 T CA 1.701 63.815 62.100 0.023 0.000 1.167 365 T CB -0.450 68.429 68.868 0.020 0.000 0.863 365 T HN 0.331 nan 8.240 nan 0.000 0.431 366 D N 2.930 123.325 120.400 -0.008 0.000 2.303 366 D HA -0.168 4.472 4.640 -0.000 0.000 0.190 366 D C 1.570 177.849 176.300 -0.036 0.000 1.011 366 D CA 1.957 55.944 54.000 -0.022 0.000 0.860 366 D CB -0.996 39.785 40.800 -0.031 0.000 0.961 366 D HN 0.736 nan 8.370 nan 0.000 0.453 367 A N 0.133 122.918 122.820 -0.059 0.000 2.177 367 A HA 0.131 4.451 4.320 -0.000 0.000 0.357 367 A C 0.580 178.124 177.584 -0.066 0.000 1.521 367 A CA 0.753 52.722 52.037 -0.113 0.000 1.102 367 A CB -0.035 18.852 19.000 -0.190 0.000 1.264 367 A HN 0.317 nan 8.150 nan 0.000 0.588 368 R N -0.796 119.655 120.500 -0.081 0.000 2.604 368 R HA 0.384 4.724 4.340 -0.000 0.000 0.287 368 R C 0.505 176.912 176.300 0.178 0.000 0.970 368 R CA -0.606 55.520 56.100 0.042 0.000 0.946 368 R CB 0.767 31.105 30.300 0.062 0.000 1.127 368 R HN 0.716 nan 8.270 nan 0.000 0.473 369 K N 0.911 121.442 120.400 0.218 0.000 2.211 369 K HA -0.137 4.183 4.320 -0.000 0.000 0.203 369 K C 1.025 177.920 176.600 0.492 0.000 1.050 369 K CA 1.687 58.175 56.287 0.336 0.000 0.945 369 K CB 0.178 32.883 32.500 0.341 0.000 0.732 369 K HN 0.617 nan 8.250 nan 0.000 0.451 370 D N 0.045 120.743 120.400 0.496 0.000 2.224 370 D HA -0.185 4.455 4.640 -0.000 0.000 0.205 370 D C 1.608 178.085 176.300 0.296 0.000 0.965 370 D CA 1.091 55.382 54.000 0.485 0.000 0.852 370 D CB -0.447 40.611 40.800 0.431 0.000 0.947 370 D HN 0.186 nan 8.370 nan 0.000 0.494 371 Y N 1.594 121.982 120.300 0.147 0.000 2.145 371 Y HA -0.051 4.499 4.550 -0.001 0.000 0.286 371 Y C 2.823 178.794 175.900 0.119 0.000 1.145 371 Y CA 1.342 59.527 58.100 0.142 0.000 1.148 371 Y CB -0.329 38.190 38.460 0.099 0.000 0.981 371 Y HN -0.116 nan 8.280 nan 0.000 0.507 372 R N -1.121 119.550 120.500 0.284 0.000 2.083 372 R HA -0.204 4.135 4.340 -0.000 0.000 0.237 372 R C 2.169 178.544 176.300 0.124 0.000 1.137 372 R CA 1.922 58.130 56.100 0.180 0.000 0.951 372 R CB -0.889 29.511 30.300 0.167 0.000 0.851 372 R HN 0.317 nan 8.270 nan 0.000 0.434 373 F N 1.364 121.243 119.950 -0.118 0.000 2.075 373 F HA -0.195 4.332 4.527 -0.000 0.000 0.297 373 F C 2.142 177.832 175.800 -0.183 0.000 1.113 373 F CA 1.799 59.575 58.000 -0.375 0.000 1.218 373 F CB -0.628 37.600 39.000 -1.288 0.000 0.984 373 F HN -0.135 nan 8.300 nan 0.000 0.472 374 T N 0.382 114.792 114.554 -0.241 0.000 2.788 374 T HA -0.193 4.157 4.350 -0.000 0.000 0.268 374 T C 1.971 176.574 174.700 -0.162 0.000 1.044 374 T CA 1.750 63.695 62.100 -0.257 0.000 1.139 374 T CB -0.219 68.617 68.868 -0.052 0.000 0.867 374 T HN 0.201 nan 8.240 nan 0.000 0.454 375 K N -0.456 119.910 120.400 -0.057 0.000 2.057 375 K HA -0.078 4.242 4.320 -0.000 0.000 0.206 375 K C 1.964 178.438 176.600 -0.211 0.000 1.050 375 K CA 1.115 57.324 56.287 -0.130 0.000 0.935 375 K CB -0.165 32.283 32.500 -0.086 0.000 0.715 375 K HN 0.426 nan 8.250 nan 0.000 0.439 376 W N 2.013 123.124 121.300 -0.315 0.000 2.355 376 W HA -0.259 4.400 4.660 -0.001 0.000 0.309 376 W C 1.829 178.086 176.519 -0.437 0.000 1.206 376 W CA 2.052 59.202 57.345 -0.326 0.000 1.284 376 W CB -0.121 29.193 29.460 -0.243 0.000 1.145 376 W HN 0.001 nan 8.180 nan 0.000 0.502 377 M N -1.422 117.895 119.600 -0.470 0.000 2.213 377 M HA -0.087 4.392 4.480 -0.000 0.000 0.263 377 M C 1.742 177.638 176.300 -0.673 0.000 1.062 377 M CA 2.155 56.993 55.300 -0.771 0.000 1.105 377 M CB -1.432 30.729 32.600 -0.731 0.000 1.385 377 M HN -0.222 nan 8.290 nan 0.000 0.417 378 T N 1.450 115.704 114.554 -0.499 0.000 2.708 378 T HA -0.078 4.272 4.350 -0.000 0.000 0.266 378 T C 1.839 176.205 174.700 -0.557 0.000 1.037 378 T CA 1.803 63.655 62.100 -0.413 0.000 1.146 378 T CB -0.098 68.595 68.868 -0.293 0.000 0.865 378 T HN 0.477 nan 8.240 nan 0.000 0.435 379 K N 0.722 120.658 120.400 -0.773 0.000 2.062 379 K HA 0.055 4.375 4.320 -0.000 0.000 0.205 379 K C 2.652 178.875 176.600 -0.628 0.000 1.051 379 K CA 1.294 57.054 56.287 -0.879 0.000 0.941 379 K CB 0.013 31.968 32.500 -0.908 0.000 0.719 379 K HN 0.141 nan 8.250 nan 0.000 0.440 380 S N 0.160 115.325 115.700 -0.891 0.000 2.441 380 S HA -0.006 4.464 4.470 -0.000 0.000 0.224 380 S C 1.959 176.128 174.600 -0.719 0.000 1.043 380 S CA 0.570 58.235 58.200 -0.891 0.000 0.948 380 S CB 0.323 62.540 63.200 -1.638 0.000 0.810 380 S HN 0.002 nan 8.310 nan 0.000 0.504 381 V N 0.165 119.590 119.914 -0.815 0.000 3.263 381 V HA 0.378 4.497 4.120 -0.000 0.000 0.248 381 V C 1.562 177.414 176.094 -0.404 0.000 1.145 381 V CA 0.553 62.466 62.300 -0.646 0.000 1.107 381 V CB -0.691 30.607 31.823 -0.875 0.000 0.797 381 V HN 0.544 nan 8.190 nan 0.000 0.467 382 G N 0.948 109.522 108.800 -0.376 0.000 2.149 382 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.235 382 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.235 382 G C -0.183 174.601 174.900 -0.194 0.000 1.018 382 G CA 0.344 45.307 45.100 -0.229 0.000 0.728 382 G HN 0.387 nan 8.290 nan 0.000 0.508 383 L N 0.265 121.345 121.223 -0.238 0.000 2.372 383 L HA 0.608 4.948 4.340 -0.000 0.000 0.274 383 L C -0.125 176.686 176.870 -0.097 0.000 0.988 383 L CA -0.721 54.022 54.840 -0.162 0.000 0.833 383 L CB 1.886 43.829 42.059 -0.194 0.000 1.236 383 L HN 0.347 nan 8.230 nan 0.000 0.410 384 Q N 2.853 122.656 119.800 0.004 0.000 2.325 384 Q HA 0.647 4.987 4.340 -0.000 0.000 0.262 384 Q C -0.511 175.622 176.000 0.223 0.000 0.968 384 Q CA -0.394 55.454 55.803 0.075 0.000 0.877 384 Q CB 1.985 30.770 28.738 0.079 0.000 1.253 384 Q HN 0.771 nan 8.270 nan 0.000 0.448 385 G N 3.014 111.940 108.800 0.209 0.000 3.013 385 G HA2 0.654 4.614 3.960 -0.000 0.000 0.278 385 G HA3 0.654 4.614 3.960 -0.000 0.000 0.278 385 G C -1.210 173.613 174.900 -0.128 0.000 1.353 385 G CA -0.513 44.656 45.100 0.115 0.000 1.043 385 G HN 0.569 nan 8.290 nan 0.000 0.523 386 I N 1.051 121.475 120.570 -0.243 0.000 2.646 386 I HA 0.392 4.562 4.170 -0.000 0.000 0.299 386 I C -2.346 173.539 176.117 -0.387 0.000 1.036 386 I CA -2.640 58.404 61.300 -0.427 0.000 1.074 386 I CB 2.254 40.139 38.000 -0.191 0.000 1.258 386 I HN 0.178 nan 8.210 nan 0.000 0.430 387 P HA 0.294 nan 4.420 nan 0.000 0.286 387 P C -2.447 174.598 177.300 -0.425 0.000 1.321 387 P CA -1.655 61.192 63.100 -0.421 0.000 0.790 387 P CB 0.689 31.948 31.700 -0.734 0.000 0.897 388 P HA -0.060 nan 4.420 nan 0.000 0.226 388 P C 1.714 178.972 177.300 -0.070 0.000 1.153 388 P CA 1.029 64.113 63.100 -0.027 0.000 0.777 388 P CB -0.050 31.776 31.700 0.209 0.000 0.794 389 S N -0.228 115.448 115.700 -0.040 0.000 2.419 389 S HA -0.153 4.317 4.470 -0.000 0.000 0.235 389 S C 1.919 176.453 174.600 -0.111 0.000 1.019 389 S CA 1.160 59.367 58.200 0.011 0.000 0.982 389 S CB -0.834 62.416 63.200 0.084 0.000 0.789 389 S HN 0.168 nan 8.310 nan 0.000 0.490 390 A N -0.053 122.500 122.820 -0.445 0.000 2.125 390 A HA 0.014 4.334 4.320 -0.000 0.000 0.219 390 A C 0.989 178.166 177.584 -0.679 0.000 1.156 390 A CA 1.018 52.679 52.037 -0.627 0.000 0.671 390 A CB -0.451 17.928 19.000 -1.036 0.000 0.794 390 A HN 0.527 nan 8.150 nan 0.000 0.459 391 F N -2.296 117.451 119.950 -0.340 0.000 2.647 391 F HA 0.388 4.915 4.527 -0.001 0.000 0.300 391 F C -0.241 174.762 175.800 -1.328 0.000 1.106 391 F CA -1.174 56.295 58.000 -0.884 0.000 1.313 391 F CB -0.668 37.934 39.000 -0.664 0.000 1.007 391 F HN 0.097 nan 8.300 nan 0.000 0.536 392 Y N -0.516 119.439 120.300 -0.575 0.000 2.524 392 Y HA 0.434 4.984 4.550 -0.000 0.000 0.344 392 Y C 0.782 176.580 175.900 -0.170 0.000 1.012 392 Y CA -1.644 56.254 58.100 -0.336 0.000 1.068 392 Y CB 1.505 39.851 38.460 -0.191 0.000 1.249 392 Y HN -0.079 nan 8.280 nan 0.000 0.468 393 S N 0.971 116.627 115.700 -0.073 0.000 2.568 393 S HA -0.006 4.464 4.470 -0.000 0.000 0.282 393 S C 1.060 175.592 174.600 -0.115 0.000 1.338 393 S CA -0.606 57.370 58.200 -0.372 0.000 1.045 393 S CB 1.066 63.582 63.200 -1.141 0.000 0.873 393 S HN 0.805 nan 8.310 nan 0.000 0.516 394 E N 2.149 122.303 120.200 -0.077 0.000 2.086 394 E HA -0.157 4.192 4.350 -0.000 0.000 0.205 394 E C -0.639 175.965 176.600 0.006 0.000 1.027 394 E CA 2.017 58.402 56.400 -0.025 0.000 0.830 394 E CB -1.844 27.847 29.700 -0.015 0.000 0.751 394 E HN 0.654 nan 8.360 nan 0.000 0.456 395 P HA -0.043 nan 4.420 nan 0.000 0.222 395 P C 0.561 177.949 177.300 0.148 0.000 1.147 395 P CA 1.074 64.217 63.100 0.073 0.000 0.790 395 P CB 0.092 31.836 31.700 0.073 0.000 0.780 396 N N -1.673 117.074 118.700 0.079 0.000 2.205 396 N HA 0.085 4.825 4.740 -0.000 0.000 0.201 396 N C 1.116 176.470 175.510 -0.260 0.000 1.128 396 N CA 0.100 53.147 53.050 -0.005 0.000 0.867 396 N CB -0.055 38.504 38.487 0.119 0.000 0.996 396 N HN 0.084 nan 8.380 nan 0.000 0.503 397 K N 0.281 120.613 120.400 -0.114 0.000 2.152 397 K HA -0.196 4.124 4.320 -0.000 0.000 0.206 397 K C 1.530 177.949 176.600 -0.302 0.000 1.048 397 K CA 1.369 57.535 56.287 -0.203 0.000 0.933 397 K CB -0.198 32.267 32.500 -0.059 0.000 0.721 397 K HN 0.551 nan 8.250 nan 0.000 0.447 398 H N -0.431 118.533 119.070 -0.177 0.000 2.489 398 H HA -0.083 4.473 4.556 -0.000 0.000 0.295 398 H C 1.622 176.843 175.328 -0.178 0.000 1.082 398 H CA 1.079 57.042 56.048 -0.142 0.000 1.295 398 H CB -0.435 29.270 29.762 -0.095 0.000 1.380 398 H HN 0.105 nan 8.280 nan 0.000 0.548 399 L N 0.257 120.971 121.223 -0.849 0.000 2.362 399 L HA 0.040 4.380 4.340 -0.000 0.000 0.219 399 L C 2.389 179.029 176.870 -0.383 0.000 1.134 399 L CA 0.878 55.357 54.840 -0.602 0.000 0.807 399 L CB -0.079 41.572 42.059 -0.680 0.000 0.927 399 L HN 0.656 nan 8.230 nan 0.000 0.447 400 G N -1.513 106.966 108.800 -0.535 0.000 3.044 400 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.223 400 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.223 400 G C 1.222 176.237 174.900 0.192 0.000 1.123 400 G CA -0.256 44.789 45.100 -0.092 0.000 0.765 400 G HN 0.260 nan 8.290 nan 0.000 0.546 401 E N 0.808 121.045 120.200 0.062 0.000 2.204 401 E HA -0.096 4.254 4.350 -0.000 0.000 0.195 401 E C 1.044 177.651 176.600 0.011 0.000 0.990 401 E CA 0.765 57.228 56.400 0.104 0.000 0.821 401 E CB 0.133 29.857 29.700 0.040 0.000 0.750 401 E HN 0.204 nan 8.360 nan 0.000 0.477 402 D N -0.768 119.484 120.400 -0.246 0.000 2.349 402 D HA 0.049 4.689 4.640 -0.000 0.000 0.224 402 D C -0.210 175.473 176.300 -1.028 0.000 1.029 402 D CA 0.513 53.952 54.000 -0.934 0.000 0.879 402 D CB 0.136 40.327 40.800 -1.014 0.000 0.906 402 D HN 0.002 nan 8.370 nan 0.000 0.528 403 F N -0.733 119.244 119.950 0.045 0.000 2.613 403 F HA 0.574 5.101 4.527 0.000 0.000 0.342 403 F C 0.204 176.255 175.800 0.419 0.000 1.066 403 F CA -1.107 57.042 58.000 0.247 0.000 1.002 403 F CB 1.432 40.547 39.000 0.192 0.000 1.319 403 F HN -0.451 nan 8.300 nan 0.000 0.495 404 V N 0.706 120.895 119.914 0.458 0.000 2.932 404 V HA 0.444 4.564 4.120 -0.000 0.000 0.307 404 V C -1.019 175.017 176.094 -0.096 0.000 1.147 404 V CA -1.066 61.301 62.300 0.112 0.000 0.951 404 V CB 2.316 34.130 31.823 -0.014 0.000 1.031 404 V HN 0.683 nan 8.190 nan 0.000 0.426 405 R N 2.260 122.636 120.500 -0.207 0.000 2.338 405 R HA 0.606 4.946 4.340 -0.000 0.000 0.317 405 R C -1.894 174.270 176.300 -0.227 0.000 0.968 405 R CA -0.323 55.682 56.100 -0.158 0.000 0.849 405 R CB 1.005 31.245 30.300 -0.101 0.000 1.128 405 R HN 0.671 nan 8.270 nan 0.000 0.448 406 Y N 1.991 122.435 120.300 0.240 0.000 2.509 406 Y HA 0.394 4.944 4.550 0.000 0.000 0.341 406 Y C 0.016 176.138 175.900 0.370 0.000 1.038 406 Y CA -1.025 57.241 58.100 0.277 0.000 1.089 406 Y CB 1.651 40.288 38.460 0.295 0.000 1.241 406 Y HN 0.521 nan 8.280 nan 0.000 0.468 407 C N 4.201 123.792 119.300 0.484 0.000 2.351 407 C HA 0.551 5.011 4.460 -0.000 0.000 0.326 407 C C 0.476 175.580 174.990 0.189 0.000 1.272 407 C CA -0.862 58.303 59.018 0.244 0.000 1.650 407 C CB -1.589 26.238 27.740 0.146 0.000 2.257 407 C HN 0.822 nan 8.230 nan 0.000 0.505 408 F N 3.228 123.310 119.950 0.220 0.000 2.639 408 F HA 0.414 4.941 4.527 0.000 0.000 0.302 408 F C 0.360 176.301 175.800 0.235 0.000 1.097 408 F CA -0.866 57.262 58.000 0.214 0.000 1.294 408 F CB -0.450 38.662 39.000 0.186 0.000 1.027 408 F HN 0.453 nan 8.300 nan 0.000 0.550 409 F N 5.172 125.019 119.950 -0.172 0.000 2.659 409 F HA 0.386 4.913 4.527 -0.001 0.000 0.360 409 F C -0.196 175.581 175.800 -0.038 0.000 1.218 409 F CA -1.153 56.736 58.000 -0.184 0.000 1.317 409 F CB -0.886 37.697 39.000 -0.695 0.000 1.697 409 F HN 0.034 nan 8.300 nan 0.000 0.637 410 K N 2.458 123.098 120.400 0.400 0.000 2.508 410 K HA 0.287 4.607 4.320 -0.000 0.000 0.260 410 K C -0.303 176.487 176.600 0.316 0.000 0.949 410 K CA -1.149 55.312 56.287 0.289 0.000 0.834 410 K CB 2.317 34.921 32.500 0.173 0.000 1.365 410 K HN 0.133 nan 8.250 nan 0.000 0.437 411 K N 1.410 121.931 120.400 0.201 0.000 2.569 411 K HA -0.105 4.215 4.320 -0.000 0.000 0.280 411 K C 0.498 177.076 176.600 -0.038 0.000 0.984 411 K CA 0.290 56.546 56.287 -0.052 0.000 1.064 411 K CB 0.297 32.773 32.500 -0.040 0.000 0.866 411 K HN 0.471 nan 8.250 nan 0.000 0.492 412 D N 2.701 123.034 120.400 -0.111 0.000 2.158 412 D HA -0.215 4.425 4.640 -0.000 0.000 0.197 412 D C 1.766 177.997 176.300 -0.114 0.000 0.995 412 D CA 1.659 55.580 54.000 -0.132 0.000 0.846 412 D CB 0.145 40.845 40.800 -0.167 0.000 0.941 412 D HN 0.712 nan 8.370 nan 0.000 0.456 413 E N 0.457 120.608 120.200 -0.081 0.000 2.150 413 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 413 E C 1.509 178.092 176.600 -0.029 0.000 0.985 413 E CA 0.839 57.206 56.400 -0.054 0.000 0.814 413 E CB -0.134 29.540 29.700 -0.044 0.000 0.752 413 E HN 0.094 nan 8.360 nan 0.000 0.466 414 N N 0.429 119.123 118.700 -0.010 0.000 2.300 414 N HA -0.045 4.695 4.740 -0.000 0.000 0.179 414 N C 1.635 177.166 175.510 0.035 0.000 1.016 414 N CA 0.509 53.565 53.050 0.010 0.000 0.876 414 N CB -0.127 38.376 38.487 0.027 0.000 0.979 414 N HN 0.144 nan 8.380 nan 0.000 0.432 415 L N 1.766 123.035 121.223 0.076 0.000 2.046 415 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 415 L C 2.473 179.455 176.870 0.186 0.000 1.077 415 L CA 1.441 56.405 54.840 0.206 0.000 0.747 415 L CB -1.141 41.060 42.059 0.237 0.000 0.896 415 L HN 0.279 nan 8.230 nan 0.000 0.432 416 Q N -0.807 119.032 119.800 0.064 0.000 2.084 416 Q HA -0.259 4.081 4.340 -0.000 0.000 0.202 416 Q C 2.063 178.060 176.000 -0.005 0.000 0.978 416 Q CA 1.634 57.486 55.803 0.081 0.000 0.844 416 Q CB 0.114 28.853 28.738 0.001 0.000 0.898 416 Q HN 0.171 nan 8.270 nan 0.000 0.426 417 K N 0.442 120.821 120.400 -0.035 0.000 2.057 417 K HA -0.037 4.283 4.320 -0.000 0.000 0.206 417 K C 1.859 178.379 176.600 -0.132 0.000 1.050 417 K CA 1.306 57.555 56.287 -0.064 0.000 0.935 417 K CB -0.532 31.941 32.500 -0.046 0.000 0.715 417 K HN 0.366 nan 8.250 nan 0.000 0.439 418 A N 0.701 123.406 122.820 -0.190 0.000 1.902 418 A HA -0.111 4.209 4.320 -0.000 0.000 0.217 418 A C 2.334 179.561 177.584 -0.595 0.000 1.181 418 A CA 2.020 53.850 52.037 -0.345 0.000 0.623 418 A CB -0.923 17.874 19.000 -0.338 0.000 0.818 418 A HN 0.295 nan 8.150 nan 0.000 0.443 419 A N 0.597 122.964 122.820 -0.754 0.000 1.933 419 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 419 A C 2.038 179.465 177.584 -0.262 0.000 1.175 419 A CA 1.791 53.403 52.037 -0.708 0.000 0.628 419 A CB -0.576 18.196 19.000 -0.380 0.000 0.814 419 A HN 0.810 nan 8.150 nan 0.000 0.444 420 E N -0.368 119.738 120.200 -0.157 0.000 2.152 420 E HA -0.103 4.247 4.350 -0.000 0.000 0.192 420 E C 1.878 178.449 176.600 -0.049 0.000 0.983 420 E CA 1.021 57.383 56.400 -0.064 0.000 0.818 420 E CB -0.370 29.308 29.700 -0.036 0.000 0.758 420 E HN 0.583 nan 8.360 nan 0.000 0.467 421 I N 1.116 121.635 120.570 -0.086 0.000 2.202 421 I HA -0.248 3.922 4.170 -0.000 0.000 0.242 421 I C 2.501 178.633 176.117 0.026 0.000 1.091 421 I CA 0.997 62.265 61.300 -0.053 0.000 1.368 421 I CB -0.060 37.873 38.000 -0.111 0.000 1.058 421 I HN 0.166 nan 8.210 nan 0.000 0.410 422 L N -0.254 120.970 121.223 0.003 0.000 2.141 422 L HA -0.198 4.142 4.340 -0.000 0.000 0.209 422 L C 2.657 179.650 176.870 0.206 0.000 1.094 422 L CA 0.948 55.894 54.840 0.176 0.000 0.763 422 L CB -0.444 41.695 42.059 0.132 0.000 0.908 422 L HN 0.143 nan 8.230 nan 0.000 0.437 423 R N 0.829 121.383 120.500 0.091 0.000 2.066 423 R HA -0.159 4.180 4.340 -0.000 0.000 0.232 423 R C 2.373 178.729 176.300 0.093 0.000 1.131 423 R CA 1.375 57.521 56.100 0.077 0.000 0.955 423 R CB -0.306 30.015 30.300 0.035 0.000 0.851 423 R HN 0.236 nan 8.270 nan 0.000 0.432 424 K N -0.882 119.577 120.400 0.097 0.000 2.063 424 K HA -0.212 4.108 4.320 -0.000 0.000 0.208 424 K C 1.926 178.637 176.600 0.185 0.000 1.048 424 K CA 1.615 57.965 56.287 0.105 0.000 0.928 424 K CB -0.621 31.926 32.500 0.077 0.000 0.713 424 K HN 0.267 nan 8.250 nan 0.000 0.442 425 W N 2.618 123.929 121.300 0.018 0.000 2.358 425 W HA -0.032 4.628 4.660 -0.000 0.000 0.303 425 W C 1.552 178.111 176.519 0.067 0.000 1.208 425 W CA 1.211 58.586 57.345 0.049 0.000 1.274 425 W CB -0.095 29.404 29.460 0.066 0.000 1.138 425 W HN 0.018 nan 8.180 nan 0.000 0.515 426 K N -0.911 119.522 120.400 0.056 0.000 2.851 426 K HA 0.444 4.763 4.320 -0.000 0.000 0.321 426 K C -0.384 176.191 176.600 -0.042 0.000 0.977 426 K CA 0.390 56.618 56.287 -0.098 0.000 1.366 426 K CB -0.010 32.471 32.500 -0.033 0.000 1.524 426 K HN -0.081 nan 8.250 nan 0.000 0.683 427 G N 0.711 109.493 108.800 -0.030 0.000 2.718 427 G HA2 0.114 4.073 3.960 -0.000 0.000 0.302 427 G HA3 0.114 4.073 3.960 -0.000 0.000 0.302 427 G C -1.305 173.591 174.900 -0.007 0.000 2.393 427 G CA -0.563 44.528 45.100 -0.014 0.000 0.854 427 G HN 0.338 nan 8.290 nan 0.000 0.388 428 S N 1.818 117.521 115.700 0.005 0.000 2.670 428 S HA 0.235 4.705 4.470 -0.000 0.000 0.308 428 S C 1.346 175.947 174.600 0.003 0.000 1.232 428 S CA 0.144 58.349 58.200 0.007 0.000 1.126 428 S CB 0.261 63.469 63.200 0.013 0.000 0.897 428 S HN 0.686 nan 8.310 nan 0.000 0.508 429 S N 0.000 115.700 115.700 -0.001 0.000 2.498 429 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 429 S CA 0.000 58.199 58.200 -0.002 0.000 1.107 429 S CB 0.000 63.197 63.200 -0.005 0.000 0.593 429 S HN 0.000 nan 8.310 nan 0.000 0.517