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 3ei8_1_A DATA FIRST_RESID 19 DATA SEQUENCE EYKTKVSRNS NMSKLQAGYL FPEIARRRSA HLLKYPDAQV ISLGIGDTTE DATA SEQUENCE PIPEVITSAM AKKAHELSTI EGYSGYGAEQ GAKPLRAAIA KTFYGGLGIG DATA SEQUENCE DDDVFVSDGA KCDISRLQVM FGSNVTIAVQ DPSYPAYVDS SVIMGQTGQF DATA SEQUENCE NTDVQKYGNI EYMRCTPENG FFPDLSTVGR TDIIFFCSPN NPTGAAATRE DATA SEQUENCE QLTQLVEFAK KNGSIIVYDS AYAMYMSDDN PRSIFEIPGA EEVAMETASF DATA SEQUENCE SNYAGFTGVR LGWTVIPKKL LYSDGFPVAK DFNRIICTCF NGASNISQAG DATA SEQUENCE ALACLTPEGL EAMHKVIGFY KENTNIIIDT FTSLGYDVYG GKNAPYVWVH DATA SEQUENCE FPNQSSWDVF AEILEKTHVV TTPGSGFGPG GEGFVRVSAF GHRENILEAC DATA SEQUENCE RRFKQLYKHH H 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 19 E HA 0.000 nan 4.350 nan 0.000 0.291 19 E C 0.000 176.643 176.600 0.072 0.000 1.382 19 E CA 0.000 56.435 56.400 0.058 0.000 0.976 19 E CB 0.000 29.725 29.700 0.042 0.000 0.812 20 Y N 2.692 122.992 120.300 0.000 0.000 2.497 20 Y HA 0.310 4.861 4.550 0.001 0.000 0.334 20 Y C -0.593 175.308 175.900 0.000 0.000 1.199 20 Y CA 0.692 58.793 58.100 0.000 0.000 1.425 20 Y CB 0.819 39.279 38.460 0.001 0.000 1.291 20 Y HN 0.449 nan 8.280 nan 0.000 0.562 21 K N 3.765 123.764 120.400 -0.669 0.000 2.426 21 K HA 0.324 4.644 4.320 0.001 0.000 0.251 21 K C -0.318 175.863 176.600 -0.698 0.000 0.941 21 K CA -0.919 55.107 56.287 -0.435 0.000 0.808 21 K CB 1.727 34.080 32.500 -0.244 0.000 1.265 21 K HN 0.756 nan 8.250 nan 0.000 0.432 22 T N -1.221 113.193 114.554 -0.232 0.000 2.698 22 T HA 0.131 4.482 4.350 0.001 0.000 0.295 22 T C 0.600 175.228 174.700 -0.121 0.000 1.007 22 T CA -0.255 61.789 62.100 -0.094 0.000 0.980 22 T CB 0.470 69.369 68.868 0.052 0.000 1.036 22 T HN 0.529 nan 8.240 nan 0.000 0.526 23 K N 0.092 120.462 120.400 -0.051 0.000 2.437 23 K HA 0.321 4.642 4.320 0.001 0.000 0.205 23 K C -0.447 176.142 176.600 -0.019 0.000 1.026 23 K CA -0.259 56.003 56.287 -0.043 0.000 1.153 23 K CB 0.475 32.960 32.500 -0.026 0.000 0.863 23 K HN 0.325 nan 8.250 nan 0.000 0.502 24 V N 1.934 121.842 119.914 -0.010 0.000 2.461 24 V HA 0.064 4.184 4.120 0.001 0.000 0.275 24 V C 0.338 176.427 176.094 -0.008 0.000 1.047 24 V CA -0.432 61.867 62.300 -0.002 0.000 0.955 24 V CB 1.381 33.209 31.823 0.009 0.000 0.988 24 V HN 0.165 nan 8.190 nan 0.000 0.471 25 S N 5.088 120.784 115.700 -0.006 0.000 2.531 25 S HA 0.234 4.704 4.470 0.001 0.000 0.279 25 S C 0.452 175.050 174.600 -0.003 0.000 1.305 25 S CA -0.348 57.848 58.200 -0.007 0.000 1.058 25 S CB 0.169 63.366 63.200 -0.004 0.000 0.899 25 S HN 0.715 nan 8.310 nan 0.000 0.493 26 R N 2.633 123.130 120.500 -0.004 0.000 2.638 26 R HA -0.057 4.283 4.340 0.001 0.000 0.268 26 R C 0.277 176.577 176.300 0.000 0.000 1.006 26 R CA -0.198 55.901 56.100 -0.002 0.000 1.088 26 R CB 0.221 30.519 30.300 -0.003 0.000 0.950 26 R HN 0.555 nan 8.270 nan 0.000 0.419 27 N N 1.824 120.524 118.700 0.000 0.000 2.414 27 N HA -0.098 4.643 4.740 0.001 0.000 0.268 27 N C 0.643 176.155 175.510 0.003 0.000 1.286 27 N CA 0.714 53.764 53.050 0.001 0.000 0.896 27 N CB 0.910 39.396 38.487 -0.002 0.000 1.093 27 N HN 0.640 nan 8.380 nan 0.000 0.480 28 S N 2.803 118.507 115.700 0.007 0.000 2.474 28 S HA -0.109 4.362 4.470 0.001 0.000 0.235 28 S C 1.185 175.795 174.600 0.017 0.000 0.997 28 S CA 0.933 59.141 58.200 0.013 0.000 0.949 28 S CB -0.342 62.867 63.200 0.016 0.000 0.766 28 S HN 0.716 nan 8.310 nan 0.000 0.517 29 N N 1.080 119.785 118.700 0.009 0.000 2.270 29 N HA 0.077 4.818 4.740 0.001 0.000 0.181 29 N C 1.719 177.226 175.510 -0.005 0.000 1.016 29 N CA 1.276 54.328 53.050 0.003 0.000 0.870 29 N CB -0.218 38.264 38.487 -0.008 0.000 0.979 29 N HN 0.260 nan 8.380 nan 0.000 0.431 30 M N 0.542 120.138 119.600 -0.006 0.000 2.175 30 M HA -0.012 4.469 4.480 0.001 0.000 0.264 30 M C 1.890 178.192 176.300 0.003 0.000 1.063 30 M CA 1.209 56.504 55.300 -0.009 0.000 1.119 30 M CB -1.026 31.568 32.600 -0.011 0.000 1.377 30 M HN 0.027 nan 8.290 nan 0.000 0.415 31 S N 0.557 116.265 115.700 0.012 0.000 2.419 31 S HA -0.104 4.366 4.470 0.001 0.000 0.233 31 S C 1.839 176.466 174.600 0.045 0.000 1.016 31 S CA 1.005 59.218 58.200 0.021 0.000 0.974 31 S CB -0.227 62.985 63.200 0.020 0.000 0.786 31 S HN 0.488 nan 8.310 nan 0.000 0.492 32 K N 0.696 121.135 120.400 0.065 0.000 2.211 32 K HA 0.069 4.390 4.320 0.001 0.000 0.203 32 K C 0.220 176.942 176.600 0.202 0.000 1.050 32 K CA 0.372 56.742 56.287 0.138 0.000 0.945 32 K CB -0.289 32.296 32.500 0.141 0.000 0.732 32 K HN 0.330 nan 8.250 nan 0.000 0.451 33 L N 2.071 123.357 121.223 0.106 0.000 2.499 33 L HA -0.074 4.266 4.340 0.001 0.000 0.273 33 L C 1.732 178.623 176.870 0.035 0.000 1.195 33 L CA -0.130 54.772 54.840 0.103 0.000 0.882 33 L CB 0.435 42.502 42.059 0.012 0.000 1.133 33 L HN 0.163 nan 8.230 nan 0.000 0.483 34 Q N 2.318 122.090 119.800 -0.047 0.000 2.123 34 Q HA 0.048 4.389 4.340 0.001 0.000 0.199 34 Q C 0.406 176.283 176.000 -0.206 0.000 0.966 34 Q CA 1.320 56.952 55.803 -0.284 0.000 0.845 34 Q CB 0.391 28.659 28.738 -0.784 0.000 0.907 34 Q HN 0.840 nan 8.270 nan 0.000 0.439 35 A N -1.483 121.243 122.820 -0.156 0.000 2.524 35 A HA 0.649 4.970 4.320 0.001 0.000 0.303 35 A C -0.197 177.339 177.584 -0.080 0.000 1.195 35 A CA -0.174 51.784 52.037 -0.131 0.000 0.651 35 A CB 0.170 19.063 19.000 -0.179 0.000 1.323 35 A HN 0.190 nan 8.150 nan 0.000 0.479 36 G N -1.431 107.328 108.800 -0.069 0.000 2.651 36 G HA2 0.439 4.399 3.960 0.001 0.000 0.260 36 G HA3 0.439 4.399 3.960 0.001 0.000 0.260 36 G C -0.297 174.603 174.900 -0.000 0.000 1.216 36 G CA -0.123 44.965 45.100 -0.020 0.000 0.913 36 G HN 0.862 nan 8.290 nan 0.000 0.535 37 Y N 0.304 120.541 120.300 -0.105 0.000 2.702 37 Y HA 0.064 4.615 4.550 0.001 0.000 0.336 37 Y C 1.555 177.343 175.900 -0.188 0.000 1.235 37 Y CA -0.362 57.654 58.100 -0.141 0.000 1.492 37 Y CB 1.090 39.497 38.460 -0.088 0.000 1.308 37 Y HN 0.371 nan 8.280 nan 0.000 0.589 38 L N 4.857 125.561 121.223 -0.866 0.000 2.013 38 L HA -0.225 4.116 4.340 0.001 0.000 0.212 38 L C 1.583 178.019 176.870 -0.723 0.000 1.073 38 L CA 1.974 56.293 54.840 -0.869 0.000 0.753 38 L CB -0.835 40.422 42.059 -1.338 0.000 0.890 38 L HN 0.702 nan 8.230 nan 0.000 0.432 39 F N -0.285 119.377 119.950 -0.480 0.000 2.163 39 F HA 0.041 4.569 4.527 0.001 0.000 0.297 39 F C -0.189 175.577 175.800 -0.056 0.000 1.094 39 F CA 0.870 58.743 58.000 -0.212 0.000 1.290 39 F CB -2.386 36.524 39.000 -0.151 0.000 1.017 39 F HN 0.165 nan 8.300 nan 0.000 0.483 40 P HA -0.202 nan 4.420 nan 0.000 0.218 40 P C 1.418 178.752 177.300 0.056 0.000 1.148 40 P CA 1.602 64.770 63.100 0.114 0.000 0.822 40 P CB 0.014 31.788 31.700 0.124 0.000 0.784 41 E N -0.206 119.989 120.200 -0.008 0.000 2.110 41 E HA -0.161 4.190 4.350 0.001 0.000 0.193 41 E C 1.884 178.505 176.600 0.034 0.000 0.988 41 E CA 1.161 57.547 56.400 -0.023 0.000 0.804 41 E CB -0.954 28.695 29.700 -0.086 0.000 0.745 41 E HN 0.024 nan 8.360 nan 0.000 0.458 42 I N 1.002 121.597 120.570 0.041 0.000 2.226 42 I HA -0.204 3.967 4.170 0.001 0.000 0.245 42 I C 2.388 178.619 176.117 0.190 0.000 1.100 42 I CA 1.339 62.699 61.300 0.100 0.000 1.374 42 I CB -1.668 36.364 38.000 0.053 0.000 1.057 42 I HN 0.238 nan 8.210 nan 0.000 0.413 43 A N 0.761 123.674 122.820 0.155 0.000 1.917 43 A HA -0.273 4.048 4.320 0.001 0.000 0.219 43 A C 2.540 180.207 177.584 0.138 0.000 1.182 43 A CA 2.039 54.165 52.037 0.149 0.000 0.633 43 A CB -0.757 18.318 19.000 0.125 0.000 0.819 43 A HN 0.347 nan 8.150 nan 0.000 0.448 44 R N -0.699 119.868 120.500 0.112 0.000 2.083 44 R HA -0.126 4.215 4.340 0.001 0.000 0.237 44 R C 2.429 178.806 176.300 0.128 0.000 1.137 44 R CA 1.799 57.954 56.100 0.093 0.000 0.951 44 R CB -0.200 30.131 30.300 0.050 0.000 0.851 44 R HN 0.538 nan 8.270 nan 0.000 0.434 45 R N -0.548 120.059 120.500 0.178 0.000 2.115 45 R HA -0.064 4.276 4.340 0.001 0.000 0.226 45 R C 2.416 178.884 176.300 0.280 0.000 1.100 45 R CA 1.233 57.486 56.100 0.254 0.000 0.980 45 R CB -0.224 30.319 30.300 0.405 0.000 0.875 45 R HN 0.186 nan 8.270 nan 0.000 0.445 46 R N 0.356 121.018 120.500 0.270 0.000 2.081 46 R HA -0.083 4.258 4.340 0.001 0.000 0.235 46 R C 1.873 178.309 176.300 0.227 0.000 1.131 46 R CA 1.818 58.062 56.100 0.241 0.000 0.960 46 R CB -0.040 30.384 30.300 0.208 0.000 0.856 46 R HN 0.089 nan 8.270 nan 0.000 0.436 47 S N 0.498 116.302 115.700 0.173 0.000 2.356 47 S HA -0.114 4.356 4.470 0.001 0.000 0.223 47 S C 1.997 176.672 174.600 0.124 0.000 1.032 47 S CA 1.159 59.438 58.200 0.132 0.000 1.005 47 S CB -0.219 63.039 63.200 0.098 0.000 0.867 47 S HN 0.566 nan 8.310 nan 0.000 0.449 48 A N 1.126 124.025 122.820 0.133 0.000 1.908 48 A HA -0.208 4.113 4.320 0.001 0.000 0.218 48 A C 1.865 179.531 177.584 0.137 0.000 1.181 48 A CA 2.204 54.307 52.037 0.110 0.000 0.627 48 A CB -1.031 18.034 19.000 0.109 0.000 0.818 48 A HN 0.659 nan 8.150 nan 0.000 0.445 49 H N -0.382 118.764 119.070 0.125 0.000 2.353 49 H HA -0.001 4.556 4.556 0.001 0.000 0.300 49 H C 1.704 177.146 175.328 0.191 0.000 1.090 49 H CA 1.899 58.057 56.048 0.183 0.000 1.327 49 H CB -0.233 29.643 29.762 0.191 0.000 1.383 49 H HN 0.371 nan 8.280 nan 0.000 0.508 50 L N -0.600 120.701 121.223 0.130 0.000 2.201 50 L HA -0.131 4.210 4.340 0.001 0.000 0.212 50 L C 1.908 178.770 176.870 -0.014 0.000 1.105 50 L CA 0.198 55.069 54.840 0.051 0.000 0.775 50 L CB -0.171 41.945 42.059 0.096 0.000 0.913 50 L HN 0.304 nan 8.230 nan 0.000 0.440 51 L N -0.084 121.131 121.223 -0.013 0.000 2.093 51 L HA -0.210 4.130 4.340 0.001 0.000 0.208 51 L C 2.457 179.251 176.870 -0.125 0.000 1.085 51 L CA 1.668 56.480 54.840 -0.047 0.000 0.755 51 L CB -0.840 41.204 42.059 -0.024 0.000 0.904 51 L HN 0.194 nan 8.230 nan 0.000 0.435 52 K N -1.414 118.868 120.400 -0.198 0.000 2.155 52 K HA -0.123 4.198 4.320 0.001 0.000 0.203 52 K C -0.239 175.945 176.600 -0.694 0.000 1.052 52 K CA 0.976 57.001 56.287 -0.438 0.000 0.948 52 K CB 0.156 32.371 32.500 -0.475 0.000 0.728 52 K HN 0.210 nan 8.250 nan 0.000 0.448 53 Y N -0.212 119.955 120.300 -0.222 0.000 2.662 53 Y HA 0.275 4.826 4.550 0.001 0.000 0.358 53 Y C -2.200 173.598 175.900 -0.170 0.000 1.041 53 Y CA -2.377 55.598 58.100 -0.207 0.000 1.184 53 Y CB 1.544 39.830 38.460 -0.290 0.000 1.114 53 Y HN 0.095 nan 8.280 nan 0.000 0.650 54 P HA -0.098 nan 4.420 nan 0.000 0.222 54 P C 0.552 177.845 177.300 -0.012 0.000 1.147 54 P CA 1.487 64.577 63.100 -0.017 0.000 0.790 54 P CB 0.470 32.156 31.700 -0.023 0.000 0.780 55 D N -1.201 119.191 120.400 -0.015 0.000 2.340 55 D HA 0.160 4.801 4.640 0.001 0.000 0.217 55 D C 0.674 176.918 176.300 -0.093 0.000 1.081 55 D CA 0.016 53.996 54.000 -0.033 0.000 0.842 55 D CB -0.103 40.687 40.800 -0.017 0.000 0.934 55 D HN 0.058 nan 8.370 nan 0.000 0.511 56 A N 0.988 123.717 122.820 -0.152 0.000 2.477 56 A HA 0.111 4.431 4.320 0.001 0.000 0.246 56 A C 0.605 178.072 177.584 -0.194 0.000 1.078 56 A CA -0.113 51.697 52.037 -0.380 0.000 0.770 56 A CB 0.365 19.032 19.000 -0.555 0.000 1.011 56 A HN -0.058 nan 8.150 nan 0.000 0.494 57 Q N 2.423 122.111 119.800 -0.187 0.000 2.566 57 Q HA 0.224 4.565 4.340 0.001 0.000 0.221 57 Q C -0.572 175.428 176.000 0.001 0.000 1.195 57 Q CA -0.161 55.610 55.803 -0.053 0.000 0.967 57 Q CB 0.550 29.270 28.738 -0.030 0.000 1.337 57 Q HN 0.498 nan 8.270 nan 0.000 0.553 58 V N 3.868 123.805 119.914 0.039 0.000 2.555 58 V HA 0.198 4.318 4.120 0.001 0.000 0.286 58 V C 0.533 176.667 176.094 0.066 0.000 1.044 58 V CA 0.044 62.396 62.300 0.087 0.000 1.026 58 V CB 0.639 32.535 31.823 0.123 0.000 0.981 58 V HN 0.522 nan 8.190 nan 0.000 0.480 59 I N 3.917 124.519 120.570 0.053 0.000 2.362 59 I HA 0.292 4.462 4.170 0.001 0.000 0.289 59 I C 0.230 176.385 176.117 0.063 0.000 0.994 59 I CA -0.015 61.313 61.300 0.047 0.000 1.158 59 I CB 1.847 39.854 38.000 0.012 0.000 1.315 59 I HN 0.591 nan 8.210 nan 0.000 0.451 60 S N 7.255 123.003 115.700 0.081 0.000 2.410 60 S HA 0.492 4.963 4.470 0.001 0.000 0.304 60 S C 0.135 174.809 174.600 0.122 0.000 1.095 60 S CA -0.484 57.779 58.200 0.106 0.000 1.089 60 S CB 0.221 63.485 63.200 0.107 0.000 0.968 60 S HN 0.580 nan 8.310 nan 0.000 0.480 61 L N 5.031 126.343 121.223 0.148 0.000 3.218 61 L HA 0.384 4.724 4.340 0.001 0.000 0.279 61 L C 1.417 178.391 176.870 0.172 0.000 1.287 61 L CA -0.444 54.494 54.840 0.164 0.000 1.024 61 L CB -0.074 42.108 42.059 0.205 0.000 1.409 61 L HN 0.808 nan 8.230 nan 0.000 0.580 62 G N 1.242 110.150 108.800 0.181 0.000 2.722 62 G HA2 0.161 4.121 3.960 0.001 0.000 0.201 62 G HA3 0.161 4.121 3.960 0.001 0.000 0.201 62 G C 0.648 175.659 174.900 0.185 0.000 1.926 62 G CA -0.382 44.848 45.100 0.216 0.000 0.872 62 G HN 0.247 nan 8.290 nan 0.000 0.581 63 I N 0.395 121.055 120.570 0.149 0.000 2.880 63 I HA 0.362 4.533 4.170 0.001 0.000 0.296 63 I C 0.910 177.030 176.117 0.005 0.000 1.220 63 I CA 0.063 61.321 61.300 -0.071 0.000 1.435 63 I CB 0.442 38.320 38.000 -0.202 0.000 1.339 63 I HN 0.209 nan 8.210 nan 0.000 0.583 64 G N 4.570 113.359 108.800 -0.019 0.000 3.101 64 G HA2 0.102 4.063 3.960 0.001 0.000 0.272 64 G HA3 0.102 4.063 3.960 0.001 0.000 0.272 64 G C -0.407 174.641 174.900 0.247 0.000 0.801 64 G CA -0.223 45.029 45.100 0.254 0.000 1.978 64 G HN 0.809 nan 8.290 nan 0.000 0.591 65 D N 1.631 122.113 120.400 0.137 0.000 2.232 65 D HA 0.355 4.996 4.640 0.001 0.000 0.242 65 D C 1.075 177.256 176.300 -0.198 0.000 1.093 65 D CA -0.360 53.611 54.000 -0.048 0.000 0.845 65 D CB 1.123 41.916 40.800 -0.012 0.000 1.124 65 D HN 0.249 nan 8.370 nan 0.000 0.467 66 T N 0.415 114.688 114.554 -0.468 0.000 2.926 66 T HA 0.255 4.606 4.350 0.001 0.000 0.307 66 T C 1.242 175.885 174.700 -0.095 0.000 1.059 66 T CA -0.008 61.767 62.100 -0.541 0.000 1.122 66 T CB 1.048 69.680 68.868 -0.395 0.000 0.972 66 T HN 0.469 nan 8.240 nan 0.000 0.545 67 T N -2.498 112.118 114.554 0.104 0.000 2.954 67 T HA 0.211 4.562 4.350 0.001 0.000 0.252 67 T C 0.252 175.067 174.700 0.192 0.000 0.983 67 T CA -0.424 61.734 62.100 0.097 0.000 0.941 67 T CB 0.274 69.126 68.868 -0.027 0.000 1.141 67 T HN 0.541 nan 8.240 nan 0.000 0.500 68 E N 2.949 123.311 120.200 0.270 0.000 2.319 68 E HA 0.495 4.845 4.350 0.001 0.000 0.268 68 E C -2.499 174.158 176.600 0.095 0.000 1.050 68 E CA -2.508 53.967 56.400 0.125 0.000 0.878 68 E CB 0.315 29.935 29.700 -0.133 0.000 1.066 68 E HN 0.251 nan 8.360 nan 0.000 0.406 69 P HA 0.106 nan 4.420 nan 0.000 0.269 69 P C -0.037 177.302 177.300 0.066 0.000 1.215 69 P CA -0.019 63.112 63.100 0.053 0.000 0.780 69 P CB 0.400 32.113 31.700 0.022 0.000 0.898 70 I N 3.120 123.748 120.570 0.096 0.000 2.648 70 I HA 0.072 4.242 4.170 0.001 0.000 0.284 70 I C -1.771 174.400 176.117 0.091 0.000 1.153 70 I CA -1.740 59.641 61.300 0.135 0.000 1.426 70 I CB -0.111 38.004 38.000 0.191 0.000 1.381 70 I HN 0.206 nan 8.210 nan 0.000 0.571 71 P HA -0.012 nan 4.420 nan 0.000 0.265 71 P C 0.357 177.692 177.300 0.059 0.000 1.187 71 P CA 0.108 63.242 63.100 0.057 0.000 0.766 71 P CB 0.491 32.226 31.700 0.058 0.000 0.820 72 E N 1.283 121.506 120.200 0.039 0.000 2.118 72 E HA -0.170 4.181 4.350 0.001 0.000 0.195 72 E C 1.704 178.327 176.600 0.039 0.000 0.992 72 E CA 0.943 57.365 56.400 0.036 0.000 0.804 72 E CB -0.277 29.437 29.700 0.024 0.000 0.741 72 E HN 0.239 nan 8.360 nan 0.000 0.458 73 V N 1.108 121.044 119.914 0.037 0.000 2.469 73 V HA -0.241 3.879 4.120 0.001 0.000 0.251 73 V C 1.850 177.970 176.094 0.044 0.000 1.064 73 V CA 1.570 63.890 62.300 0.034 0.000 1.066 73 V CB -0.170 31.669 31.823 0.026 0.000 0.667 73 V HN 0.215 nan 8.190 nan 0.000 0.461 74 I N 0.323 120.931 120.570 0.065 0.000 2.339 74 I HA -0.120 4.050 4.170 0.001 0.000 0.245 74 I C 2.670 178.847 176.117 0.100 0.000 1.096 74 I CA 1.597 62.955 61.300 0.097 0.000 1.408 74 I CB -0.625 37.462 38.000 0.144 0.000 1.092 74 I HN 0.473 nan 8.210 nan 0.000 0.423 75 T N -2.186 112.420 114.554 0.085 0.000 2.867 75 T HA -0.105 4.245 4.350 0.001 0.000 0.268 75 T C 1.989 176.704 174.700 0.024 0.000 1.057 75 T CA 1.503 63.632 62.100 0.048 0.000 1.136 75 T CB -0.464 68.426 68.868 0.037 0.000 0.874 75 T HN 0.138 nan 8.240 nan 0.000 0.466 76 S N 1.800 117.519 115.700 0.032 0.000 2.382 76 S HA 0.089 4.559 4.470 0.001 0.000 0.228 76 S C 2.592 177.207 174.600 0.025 0.000 1.027 76 S CA 0.991 59.208 58.200 0.029 0.000 0.991 76 S CB -0.787 62.433 63.200 0.033 0.000 0.823 76 S HN 0.787 nan 8.310 nan 0.000 0.469 77 A N 1.257 124.093 122.820 0.027 0.000 1.930 77 A HA -0.004 4.316 4.320 0.001 0.000 0.217 77 A C 2.115 179.702 177.584 0.004 0.000 1.175 77 A CA 1.205 53.254 52.037 0.020 0.000 0.627 77 A CB -0.503 18.513 19.000 0.025 0.000 0.815 77 A HN 0.461 nan 8.150 nan 0.000 0.443 78 M N -0.765 118.833 119.600 -0.003 0.000 2.156 78 M HA -0.088 4.393 4.480 0.001 0.000 0.264 78 M C 2.588 178.840 176.300 -0.079 0.000 1.067 78 M CA 1.326 56.603 55.300 -0.039 0.000 1.131 78 M CB -0.448 32.120 32.600 -0.054 0.000 1.368 78 M HN 0.470 nan 8.290 nan 0.000 0.416 79 A N 0.596 123.365 122.820 -0.085 0.000 1.902 79 A HA -0.215 4.105 4.320 0.001 0.000 0.217 79 A C 2.156 179.620 177.584 -0.200 0.000 1.181 79 A CA 2.003 53.932 52.037 -0.180 0.000 0.623 79 A CB -0.694 18.242 19.000 -0.106 0.000 0.818 79 A HN 0.460 nan 8.150 nan 0.000 0.443 80 K N -0.283 120.104 120.400 -0.022 0.000 2.032 80 K HA -0.246 4.075 4.320 0.001 0.000 0.209 80 K C 2.139 178.754 176.600 0.024 0.000 1.048 80 K CA 1.931 58.254 56.287 0.061 0.000 0.927 80 K CB -0.147 32.388 32.500 0.058 0.000 0.712 80 K HN 0.267 nan 8.250 nan 0.000 0.441 81 K N 0.773 121.162 120.400 -0.018 0.000 2.026 81 K HA -0.087 4.234 4.320 0.001 0.000 0.208 81 K C 1.779 178.356 176.600 -0.038 0.000 1.048 81 K CA 1.666 57.939 56.287 -0.023 0.000 0.929 81 K CB -0.560 31.920 32.500 -0.033 0.000 0.713 81 K HN 0.261 nan 8.250 nan 0.000 0.439 82 A N 0.534 123.293 122.820 -0.101 0.000 1.883 82 A HA -0.216 4.105 4.320 0.001 0.000 0.217 82 A C 2.022 179.567 177.584 -0.065 0.000 1.186 82 A CA 1.908 53.871 52.037 -0.123 0.000 0.624 82 A CB -0.987 17.883 19.000 -0.218 0.000 0.822 82 A HN 0.494 nan 8.150 nan 0.000 0.444 83 H N -0.264 118.812 119.070 0.010 0.000 2.353 83 H HA -0.088 4.468 4.556 0.001 0.000 0.300 83 H C 2.016 177.357 175.328 0.022 0.000 1.090 83 H CA 1.647 57.703 56.048 0.014 0.000 1.327 83 H CB -0.415 29.353 29.762 0.009 0.000 1.383 83 H HN 0.688 nan 8.280 nan 0.000 0.508 84 E N 0.464 120.745 120.200 0.135 0.000 2.153 84 E HA -0.110 4.240 4.350 0.001 0.000 0.194 84 E C 2.148 178.806 176.600 0.097 0.000 0.988 84 E CA 0.392 56.845 56.400 0.090 0.000 0.811 84 E CB -0.062 29.669 29.700 0.052 0.000 0.746 84 E HN 0.360 nan 8.360 nan 0.000 0.466 85 L N 0.828 122.108 121.223 0.094 0.000 2.456 85 L HA -0.087 4.253 4.340 0.001 0.000 0.224 85 L C 2.213 179.203 176.870 0.200 0.000 1.148 85 L CA 0.775 55.713 54.840 0.163 0.000 0.825 85 L CB -0.239 41.890 42.059 0.117 0.000 0.937 85 L HN 0.141 nan 8.230 nan 0.000 0.450 86 S N -2.183 113.592 115.700 0.125 0.000 2.605 86 S HA 0.034 4.504 4.470 0.001 0.000 0.217 86 S C 0.819 175.456 174.600 0.061 0.000 0.958 86 S CA -0.126 58.123 58.200 0.081 0.000 0.919 86 S CB -0.496 62.750 63.200 0.076 0.000 0.780 86 S HN 0.399 nan 8.310 nan 0.000 0.507 87 T N -1.129 113.476 114.554 0.084 0.000 2.918 87 T HA 0.596 4.946 4.350 0.001 0.000 0.286 87 T C 1.167 175.914 174.700 0.078 0.000 1.026 87 T CA -0.982 61.155 62.100 0.061 0.000 1.031 87 T CB 0.831 69.732 68.868 0.055 0.000 1.046 87 T HN -0.075 nan 8.240 nan 0.000 0.479 88 I N 1.607 122.205 120.570 0.048 0.000 2.179 88 I HA -0.126 4.045 4.170 0.001 0.000 0.242 88 I C 2.754 178.918 176.117 0.079 0.000 1.088 88 I CA 1.673 63.004 61.300 0.051 0.000 1.357 88 I CB -1.100 36.914 38.000 0.024 0.000 1.051 88 I HN 0.889 nan 8.210 nan 0.000 0.409 89 E N 0.958 121.193 120.200 0.058 0.000 2.208 89 E HA -0.111 4.240 4.350 0.001 0.000 0.193 89 E C 2.018 178.652 176.600 0.057 0.000 0.988 89 E CA 1.449 57.879 56.400 0.050 0.000 0.828 89 E CB -0.629 29.091 29.700 0.032 0.000 0.763 89 E HN 0.440 nan 8.360 nan 0.000 0.478 90 G N 0.045 108.888 108.800 0.071 0.000 2.887 90 G HA2 -0.075 3.885 3.960 0.001 0.000 0.211 90 G HA3 -0.075 3.885 3.960 0.001 0.000 0.211 90 G C 0.124 175.062 174.900 0.063 0.000 1.152 90 G CA -0.395 44.739 45.100 0.056 0.000 0.769 90 G HN 0.251 nan 8.290 nan 0.000 0.541 91 Y N 3.189 123.488 120.300 -0.002 0.000 2.511 91 Y HA 0.385 4.936 4.550 0.001 0.000 0.332 91 Y C 0.319 176.212 175.900 -0.012 0.000 1.177 91 Y CA -0.712 57.382 58.100 -0.010 0.000 1.422 91 Y CB 0.805 39.257 38.460 -0.014 0.000 1.271 91 Y HN 0.093 nan 8.280 nan 0.000 0.550 92 S N 3.786 118.897 115.700 -0.982 0.000 2.541 92 S HA 0.813 5.284 4.470 0.001 0.000 0.280 92 S C -0.015 173.954 174.600 -1.051 0.000 1.112 92 S CA -0.421 57.331 58.200 -0.747 0.000 0.925 92 S CB 1.618 64.619 63.200 -0.331 0.000 1.067 92 S HN 0.995 nan 8.310 nan 0.000 0.479 93 G N 0.646 109.113 108.800 -0.554 0.000 3.329 93 G HA2 0.441 4.401 3.960 0.001 0.000 0.180 93 G HA3 0.441 4.401 3.960 0.001 0.000 0.180 93 G C -0.810 173.954 174.900 -0.228 0.000 1.640 93 G CA -0.782 44.130 45.100 -0.313 0.000 1.018 93 G HN 0.643 nan 8.290 nan 0.000 0.581 94 Y N 1.045 121.309 120.300 -0.059 0.000 2.712 94 Y HA 0.354 4.905 4.550 0.001 0.000 0.333 94 Y C 1.208 177.063 175.900 -0.075 0.000 1.225 94 Y CA 0.683 58.744 58.100 -0.065 0.000 1.499 94 Y CB 0.345 38.779 38.460 -0.043 0.000 1.288 94 Y HN 0.405 nan 8.280 nan 0.000 0.575 95 G N 1.135 109.997 108.800 0.103 0.000 2.441 95 G HA2 0.581 4.541 3.960 0.001 0.000 0.334 95 G HA3 0.581 4.541 3.960 0.001 0.000 0.334 95 G C -0.836 174.088 174.900 0.041 0.000 1.161 95 G CA -0.679 44.446 45.100 0.041 0.000 0.935 95 G HN 0.911 nan 8.290 nan 0.000 0.488 96 A N 0.647 123.483 122.820 0.028 0.000 2.567 96 A HA 0.226 4.547 4.320 0.001 0.000 0.240 96 A C 1.235 178.840 177.584 0.035 0.000 1.053 96 A CA 0.425 52.476 52.037 0.024 0.000 0.755 96 A CB 0.065 19.081 19.000 0.025 0.000 0.978 96 A HN 0.766 nan 8.150 nan 0.000 0.507 97 E N 0.869 121.088 120.200 0.032 0.000 2.160 97 E HA -0.217 4.133 4.350 0.001 0.000 0.195 97 E C 1.899 178.622 176.600 0.206 0.000 0.991 97 E CA 1.673 58.106 56.400 0.055 0.000 0.810 97 E CB -0.056 29.682 29.700 0.064 0.000 0.742 97 E HN 0.853 nan 8.360 nan 0.000 0.466 98 Q N -0.240 119.674 119.800 0.189 0.000 2.369 98 Q HA 0.007 4.348 4.340 0.001 0.000 0.206 98 Q C 0.158 176.268 176.000 0.183 0.000 0.963 98 Q CA 0.653 56.590 55.803 0.224 0.000 0.894 98 Q CB 0.188 28.964 28.738 0.063 0.000 0.965 98 Q HN 0.233 nan 8.270 nan 0.000 0.475 99 G N -0.687 108.199 108.800 0.143 0.000 2.587 99 G HA2 0.009 3.970 3.960 0.001 0.000 0.686 99 G HA3 0.009 3.970 3.960 0.001 0.000 0.686 99 G C -0.772 174.169 174.900 0.068 0.000 1.236 99 G CA -0.639 44.538 45.100 0.129 0.000 0.820 99 G HN 0.409 nan 8.290 nan 0.000 0.645 100 A N 0.947 123.802 122.820 0.059 0.000 2.546 100 A HA 0.488 4.809 4.320 0.001 0.000 0.243 100 A C 1.623 179.218 177.584 0.019 0.000 1.063 100 A CA 1.475 53.530 52.037 0.030 0.000 0.757 100 A CB 0.325 19.340 19.000 0.025 0.000 0.991 100 A HN 1.409 nan 8.150 nan 0.000 0.503 101 K N 2.380 122.782 120.400 0.003 0.000 2.044 101 K HA -0.134 4.187 4.320 0.001 0.000 0.210 101 K C -0.983 175.612 176.600 -0.009 0.000 1.049 101 K CA 2.106 58.387 56.287 -0.009 0.000 0.927 101 K CB -0.762 31.729 32.500 -0.015 0.000 0.713 101 K HN 0.567 nan 8.250 nan 0.000 0.443 102 P HA -0.152 nan 4.420 nan 0.000 0.218 102 P C 1.130 178.428 177.300 -0.003 0.000 1.149 102 P CA 0.810 63.905 63.100 -0.008 0.000 0.817 102 P CB 0.076 31.772 31.700 -0.007 0.000 0.785 103 L N -0.399 120.832 121.223 0.013 0.000 2.072 103 L HA -0.021 4.320 4.340 0.001 0.000 0.205 103 L C 2.286 179.170 176.870 0.023 0.000 1.079 103 L CA 1.686 56.544 54.840 0.030 0.000 0.752 103 L CB -0.855 41.243 42.059 0.065 0.000 0.906 103 L HN -0.230 nan 8.230 nan 0.000 0.436 104 R N -0.374 120.137 120.500 0.018 0.000 2.091 104 R HA -0.159 4.181 4.340 0.001 0.000 0.238 104 R C 2.225 178.511 176.300 -0.023 0.000 1.136 104 R CA 1.433 57.530 56.100 -0.005 0.000 0.959 104 R CB -0.744 29.539 30.300 -0.028 0.000 0.856 104 R HN 0.525 nan 8.270 nan 0.000 0.437 105 A N 1.227 124.033 122.820 -0.023 0.000 1.902 105 A HA -0.109 4.212 4.320 0.001 0.000 0.217 105 A C 2.388 179.952 177.584 -0.034 0.000 1.181 105 A CA 1.684 53.704 52.037 -0.028 0.000 0.623 105 A CB -0.629 18.355 19.000 -0.027 0.000 0.818 105 A HN 0.408 nan 8.150 nan 0.000 0.443 106 A N -0.153 122.645 122.820 -0.038 0.000 1.902 106 A HA -0.067 4.254 4.320 0.001 0.000 0.217 106 A C 2.125 179.651 177.584 -0.096 0.000 1.181 106 A CA 1.516 53.515 52.037 -0.063 0.000 0.623 106 A CB -0.596 18.378 19.000 -0.044 0.000 0.818 106 A HN 0.490 nan 8.150 nan 0.000 0.443 107 I N -0.261 120.266 120.570 -0.072 0.000 2.179 107 I HA -0.278 3.892 4.170 0.001 0.000 0.242 107 I C 2.980 179.131 176.117 0.056 0.000 1.088 107 I CA 1.065 62.303 61.300 -0.103 0.000 1.357 107 I CB -0.311 37.497 38.000 -0.320 0.000 1.051 107 I HN 0.356 nan 8.210 nan 0.000 0.409 108 A N 1.687 124.550 122.820 0.073 0.000 1.902 108 A HA -0.256 4.065 4.320 0.001 0.000 0.217 108 A C 2.338 180.001 177.584 0.132 0.000 1.181 108 A CA 2.235 54.378 52.037 0.176 0.000 0.623 108 A CB -0.576 18.455 19.000 0.052 0.000 0.818 108 A HN 0.559 nan 8.150 nan 0.000 0.443 109 K N -1.585 118.818 120.400 0.004 0.000 2.076 109 K HA -0.032 4.289 4.320 0.001 0.000 0.204 109 K C 1.780 178.305 176.600 -0.127 0.000 1.051 109 K CA 1.692 57.954 56.287 -0.041 0.000 0.949 109 K CB -0.775 31.690 32.500 -0.059 0.000 0.726 109 K HN 0.223 nan 8.250 nan 0.000 0.443 110 T N 0.637 115.034 114.554 -0.261 0.000 2.737 110 T HA -0.037 4.313 4.350 0.001 0.000 0.265 110 T C 1.192 175.532 174.700 -0.600 0.000 1.038 110 T CA 1.347 63.141 62.100 -0.511 0.000 1.144 110 T CB -0.190 68.185 68.868 -0.823 0.000 0.866 110 T HN 0.188 nan 8.240 nan 0.000 0.434 111 F N -0.970 118.812 119.950 -0.279 0.000 2.714 111 F HA 0.312 4.840 4.527 0.001 0.000 0.294 111 F C 0.768 176.120 175.800 -0.746 0.000 1.120 111 F CA -0.390 57.273 58.000 -0.561 0.000 1.398 111 F CB 0.158 38.685 39.000 -0.789 0.000 1.120 111 F HN 0.164 nan 8.300 nan 0.000 0.589 112 Y N -0.811 119.601 120.300 0.185 0.000 2.738 112 Y HA 0.421 4.972 4.550 0.001 0.000 0.249 112 Y C 1.258 177.195 175.900 0.063 0.000 1.157 112 Y CA -1.229 56.964 58.100 0.156 0.000 1.189 112 Y CB -0.250 38.308 38.460 0.163 0.000 1.262 112 Y HN -0.121 nan 8.280 nan 0.000 0.554 113 G N 0.305 109.161 108.800 0.092 0.000 2.313 113 G HA2 0.365 4.326 3.960 0.001 0.000 0.250 113 G HA3 0.365 4.326 3.960 0.001 0.000 0.250 113 G C 1.092 176.021 174.900 0.049 0.000 1.281 113 G CA 0.607 45.734 45.100 0.045 0.000 0.917 113 G HN 0.748 nan 8.290 nan 0.000 0.501 114 G N 1.263 110.089 108.800 0.043 0.000 2.175 114 G HA2 -0.269 3.692 3.960 0.001 0.000 0.244 114 G HA3 -0.269 3.692 3.960 0.001 0.000 0.244 114 G C 0.931 175.865 174.900 0.056 0.000 0.982 114 G CA 0.420 45.543 45.100 0.037 0.000 0.641 114 G HN 0.829 nan 8.290 nan 0.000 0.527 115 L N 0.417 121.693 121.223 0.088 0.000 2.700 115 L HA 0.472 4.812 4.340 0.001 0.000 0.234 115 L C 1.896 178.780 176.870 0.023 0.000 1.156 115 L CA 0.405 55.306 54.840 0.103 0.000 0.946 115 L CB 0.066 42.262 42.059 0.228 0.000 1.216 115 L HN 0.937 nan 8.230 nan 0.000 0.493 116 G N 1.258 110.056 108.800 -0.003 0.000 2.176 116 G HA2 -0.233 3.728 3.960 0.001 0.000 0.252 116 G HA3 -0.233 3.728 3.960 0.001 0.000 0.252 116 G C 0.001 174.831 174.900 -0.116 0.000 1.024 116 G CA -0.244 44.825 45.100 -0.052 0.000 0.755 116 G HN 0.175 nan 8.290 nan 0.000 0.507 117 I N 1.196 121.701 120.570 -0.108 0.000 2.336 117 I HA 0.555 4.726 4.170 0.001 0.000 0.292 117 I C 1.138 177.197 176.117 -0.096 0.000 0.991 117 I CA -0.507 60.686 61.300 -0.178 0.000 1.227 117 I CB 0.859 38.718 38.000 -0.234 0.000 1.366 117 I HN 0.156 nan 8.210 nan 0.000 0.466 118 G N 3.920 112.653 108.800 -0.111 0.000 2.477 118 G HA2 0.291 4.252 3.960 0.001 0.000 0.304 118 G HA3 0.291 4.252 3.960 0.001 0.000 0.304 118 G C 0.462 175.312 174.900 -0.084 0.000 1.175 118 G CA -0.352 44.700 45.100 -0.080 0.000 0.907 118 G HN 0.594 nan 8.290 nan 0.000 0.509 119 D N 0.345 120.704 120.400 -0.069 0.000 2.158 119 D HA -0.146 4.495 4.640 0.001 0.000 0.197 119 D C 1.956 178.182 176.300 -0.124 0.000 0.995 119 D CA 1.615 55.570 54.000 -0.075 0.000 0.846 119 D CB 0.040 40.805 40.800 -0.059 0.000 0.941 119 D HN 0.600 nan 8.370 nan 0.000 0.456 120 D N 0.202 120.523 120.400 -0.131 0.000 2.363 120 D HA -0.110 4.530 4.640 0.001 0.000 0.220 120 D C 0.732 176.877 176.300 -0.260 0.000 0.994 120 D CA 0.450 54.340 54.000 -0.184 0.000 0.890 120 D CB -0.253 40.478 40.800 -0.115 0.000 0.906 120 D HN 0.092 nan 8.370 nan 0.000 0.530 121 D N 0.241 120.529 120.400 -0.187 0.000 2.349 121 D HA 0.042 4.682 4.640 0.001 0.000 0.215 121 D C 0.234 176.471 176.300 -0.104 0.000 1.016 121 D CA 0.100 54.029 54.000 -0.119 0.000 0.870 121 D CB 0.947 41.672 40.800 -0.125 0.000 0.917 121 D HN 0.121 nan 8.370 nan 0.000 0.524 122 V N 1.313 121.099 119.914 -0.214 0.000 2.427 122 V HA 0.307 4.428 4.120 0.001 0.000 0.286 122 V C -0.497 175.490 176.094 -0.179 0.000 1.034 122 V CA -0.599 61.680 62.300 -0.035 0.000 0.893 122 V CB 1.175 32.998 31.823 -0.000 0.000 0.982 122 V HN -0.142 nan 8.190 nan 0.000 0.452 123 F N 3.187 123.311 119.950 0.290 0.000 2.460 123 F HA 0.514 5.041 4.527 0.001 0.000 0.341 123 F C 0.060 176.093 175.800 0.389 0.000 1.130 123 F CA -0.807 57.394 58.000 0.335 0.000 0.962 123 F CB 1.791 41.071 39.000 0.465 0.000 1.171 123 F HN 0.170 nan 8.300 nan 0.000 0.436 124 V N 3.369 123.570 119.914 0.479 0.000 2.530 124 V HA 0.451 4.572 4.120 0.001 0.000 0.282 124 V C 0.170 176.557 176.094 0.488 0.000 1.048 124 V CA -0.317 62.270 62.300 0.478 0.000 0.997 124 V CB 1.080 33.126 31.823 0.371 0.000 0.987 124 V HN 0.861 nan 8.190 nan 0.000 0.477 125 S N 2.193 118.150 115.700 0.428 0.000 2.726 125 S HA 0.444 4.915 4.470 0.001 0.000 0.308 125 S C 0.180 174.977 174.600 0.328 0.000 1.115 125 S CA -0.536 57.828 58.200 0.273 0.000 0.965 125 S CB 1.815 65.087 63.200 0.120 0.000 1.145 125 S HN 0.786 nan 8.310 nan 0.000 0.532 126 D N -0.611 119.943 120.400 0.257 0.000 2.370 126 D HA 0.382 5.023 4.640 0.001 0.000 0.230 126 D C 0.660 177.048 176.300 0.148 0.000 1.143 126 D CA 0.185 54.334 54.000 0.248 0.000 0.834 126 D CB -0.518 40.456 40.800 0.290 0.000 0.944 126 D HN 1.141 nan 8.370 nan 0.000 0.504 127 G N -1.310 107.560 108.800 0.117 0.000 2.316 127 G HA2 0.272 4.232 3.960 0.001 0.000 0.468 127 G HA3 0.272 4.232 3.960 0.001 0.000 0.468 127 G C 0.404 175.307 174.900 0.006 0.000 1.523 127 G CA -0.264 44.875 45.100 0.065 0.000 0.972 127 G HN 0.243 nan 8.290 nan 0.000 0.667 128 A N 0.615 123.404 122.820 -0.051 0.000 1.930 128 A HA 0.050 4.371 4.320 0.001 0.000 0.217 128 A C 2.192 179.785 177.584 0.016 0.000 1.175 128 A CA 2.376 54.370 52.037 -0.073 0.000 0.627 128 A CB -0.359 18.534 19.000 -0.178 0.000 0.815 128 A HN 0.933 nan 8.150 nan 0.000 0.443 129 K N -0.428 119.998 120.400 0.043 0.000 2.063 129 K HA -0.188 4.132 4.320 0.001 0.000 0.208 129 K C 1.936 178.568 176.600 0.053 0.000 1.048 129 K CA 1.874 58.228 56.287 0.112 0.000 0.928 129 K CB -0.433 32.140 32.500 0.122 0.000 0.713 129 K HN 0.573 nan 8.250 nan 0.000 0.442 130 C N 1.144 120.452 119.300 0.014 0.000 2.446 130 C HA -0.037 4.424 4.460 0.001 0.000 0.277 130 C C 2.164 177.140 174.990 -0.024 0.000 1.275 130 C CA 0.415 59.416 59.018 -0.027 0.000 1.727 130 C CB -0.773 26.926 27.740 -0.069 0.000 2.010 130 C HN 0.544 nan 8.230 nan 0.000 0.486 131 D N 1.085 121.486 120.400 0.002 0.000 2.144 131 D HA -0.068 4.573 4.640 0.001 0.000 0.199 131 D C 1.904 178.259 176.300 0.091 0.000 0.984 131 D CA 1.024 55.060 54.000 0.060 0.000 0.834 131 D CB -0.371 40.463 40.800 0.056 0.000 0.955 131 D HN 0.455 nan 8.370 nan 0.000 0.465 132 I N 0.465 121.107 120.570 0.119 0.000 2.163 132 I HA -0.281 3.890 4.170 0.001 0.000 0.243 132 I C 2.338 178.547 176.117 0.152 0.000 1.085 132 I CA 0.997 62.418 61.300 0.201 0.000 1.347 132 I CB -0.103 38.056 38.000 0.265 0.000 1.044 132 I HN -0.106 nan 8.210 nan 0.000 0.408 133 S N -0.109 115.639 115.700 0.079 0.000 2.406 133 S HA -0.044 4.427 4.470 0.001 0.000 0.228 133 S C 2.024 176.651 174.600 0.046 0.000 1.020 133 S CA 0.781 59.008 58.200 0.045 0.000 0.965 133 S CB -0.137 63.059 63.200 -0.006 0.000 0.798 133 S HN 0.337 nan 8.310 nan 0.000 0.488 134 R N 0.732 121.258 120.500 0.043 0.000 2.092 134 R HA 0.061 4.401 4.340 0.001 0.000 0.231 134 R C 2.084 178.445 176.300 0.101 0.000 1.119 134 R CA 0.871 56.998 56.100 0.046 0.000 0.970 134 R CB -0.464 29.831 30.300 -0.007 0.000 0.864 134 R HN 0.358 nan 8.270 nan 0.000 0.440 135 L N 0.677 121.962 121.223 0.103 0.000 2.083 135 L HA -0.209 4.132 4.340 0.001 0.000 0.209 135 L C 2.617 179.368 176.870 -0.199 0.000 1.083 135 L CA 1.211 55.959 54.840 -0.152 0.000 0.752 135 L CB -0.360 41.586 42.059 -0.189 0.000 0.899 135 L HN 0.207 nan 8.230 nan 0.000 0.433 136 Q N -0.531 119.330 119.800 0.103 0.000 2.119 136 Q HA -0.130 4.211 4.340 0.001 0.000 0.201 136 Q C 2.436 178.514 176.000 0.129 0.000 0.972 136 Q CA 1.267 57.207 55.803 0.228 0.000 0.847 136 Q CB -0.305 28.563 28.738 0.216 0.000 0.903 136 Q HN 0.394 nan 8.270 nan 0.000 0.433 137 V N 1.599 121.548 119.914 0.058 0.000 2.332 137 V HA -0.294 3.827 4.120 0.001 0.000 0.248 137 V C 2.420 178.530 176.094 0.026 0.000 1.055 137 V CA 1.922 64.243 62.300 0.035 0.000 1.038 137 V CB -0.637 31.192 31.823 0.009 0.000 0.651 137 V HN 0.390 nan 8.190 nan 0.000 0.450 138 M N -0.752 118.834 119.600 -0.022 0.000 2.086 138 M HA -0.199 4.282 4.480 0.001 0.000 0.261 138 M C 2.147 178.467 176.300 0.034 0.000 1.067 138 M CA 2.258 57.535 55.300 -0.038 0.000 1.116 138 M CB -0.237 32.305 32.600 -0.096 0.000 1.348 138 M HN 0.315 nan 8.290 nan 0.000 0.407 139 F N 0.845 120.878 119.950 0.138 0.000 2.186 139 F HA 0.166 4.693 4.527 0.001 0.000 0.299 139 F C 1.892 177.728 175.800 0.059 0.000 1.090 139 F CA 1.087 59.162 58.000 0.125 0.000 1.307 139 F CB -1.356 37.718 39.000 0.123 0.000 1.019 139 F HN 0.429 nan 8.300 nan 0.000 0.489 140 G N -0.429 108.512 108.800 0.236 0.000 2.728 140 G HA2 -0.213 3.748 3.960 0.001 0.000 0.294 140 G HA3 -0.213 3.748 3.960 0.001 0.000 0.294 140 G C 0.771 175.737 174.900 0.110 0.000 1.342 140 G CA 0.005 45.179 45.100 0.123 0.000 0.866 140 G HN 0.533 nan 8.290 nan 0.000 0.534 141 S N -1.073 114.664 115.700 0.062 0.000 2.522 141 S HA 0.012 4.483 4.470 0.001 0.000 0.227 141 S C 1.374 175.999 174.600 0.040 0.000 0.986 141 S CA 1.438 59.666 58.200 0.047 0.000 0.929 141 S CB -0.078 63.139 63.200 0.028 0.000 0.769 141 S HN 0.687 nan 8.310 nan 0.000 0.529 142 N N 1.213 119.934 118.700 0.036 0.000 2.280 142 N HA 0.192 4.933 4.740 0.001 0.000 0.192 142 N C 0.156 175.677 175.510 0.017 0.000 1.109 142 N CA 0.150 53.212 53.050 0.019 0.000 0.855 142 N CB 0.929 39.418 38.487 0.003 0.000 0.974 142 N HN 0.485 nan 8.380 nan 0.000 0.482 143 V N -0.757 119.175 119.914 0.031 0.000 2.785 143 V HA 0.520 4.640 4.120 0.001 0.000 0.300 143 V C 0.555 176.651 176.094 0.004 0.000 1.062 143 V CA -0.811 61.489 62.300 0.001 0.000 1.029 143 V CB 1.216 33.017 31.823 -0.036 0.000 1.024 143 V HN 0.108 nan 8.190 nan 0.000 0.477 144 T N 2.322 116.867 114.554 -0.016 0.000 2.895 144 T HA 0.777 5.128 4.350 0.001 0.000 0.283 144 T C -0.268 174.426 174.700 -0.009 0.000 1.014 144 T CA -0.471 61.630 62.100 0.002 0.000 1.037 144 T CB 1.540 70.412 68.868 0.007 0.000 1.006 144 T HN 1.316 nan 8.240 nan 0.000 0.468 145 I N -0.750 119.838 120.570 0.029 0.000 2.740 145 I HA 0.914 5.084 4.170 0.001 0.000 0.303 145 I C -0.688 175.459 176.117 0.051 0.000 1.044 145 I CA -1.643 59.695 61.300 0.064 0.000 1.064 145 I CB 1.846 39.971 38.000 0.210 0.000 1.249 145 I HN 0.895 nan 8.210 nan 0.000 0.433 146 A N 4.714 127.579 122.820 0.074 0.000 2.350 146 A HA 0.859 5.179 4.320 0.001 0.000 0.324 146 A C -0.551 177.088 177.584 0.092 0.000 1.118 146 A CA -0.456 51.615 52.037 0.057 0.000 0.783 146 A CB 1.607 20.657 19.000 0.083 0.000 1.236 146 A HN 1.304 nan 8.150 nan 0.000 0.457 147 V N 0.036 119.955 119.914 0.008 0.000 2.962 147 V HA 0.617 4.737 4.120 0.001 0.000 0.313 147 V C -0.506 175.596 176.094 0.013 0.000 1.099 147 V CA -0.997 61.324 62.300 0.036 0.000 0.971 147 V CB 1.233 33.054 31.823 -0.004 0.000 1.028 147 V HN 0.951 nan 8.190 nan 0.000 0.430 148 Q N 1.392 121.194 119.800 0.003 0.000 2.395 148 Q HA 0.349 4.689 4.340 0.001 0.000 0.271 148 Q C -0.897 175.114 176.000 0.019 0.000 1.026 148 Q CA 0.560 56.331 55.803 -0.053 0.000 0.900 148 Q CB 0.590 29.211 28.738 -0.195 0.000 1.266 148 Q HN 0.881 nan 8.270 nan 0.000 0.430 149 D N 2.787 123.211 120.400 0.039 0.000 2.440 149 D HA 0.290 4.931 4.640 0.001 0.000 0.252 149 D C -2.606 173.725 176.300 0.052 0.000 1.180 149 D CA -2.047 52.029 54.000 0.127 0.000 0.894 149 D CB 1.192 42.144 40.800 0.254 0.000 1.111 149 D HN 0.149 nan 8.370 nan 0.000 0.544 150 P HA 0.369 nan 4.420 nan 0.000 0.278 150 P C -0.882 176.370 177.300 -0.080 0.000 1.258 150 P CA -0.442 62.659 63.100 0.001 0.000 0.811 150 P CB 1.445 33.099 31.700 -0.076 0.000 1.063 151 S N -0.717 115.003 115.700 0.033 0.000 2.615 151 S HA 0.275 4.746 4.470 0.001 0.000 0.269 151 S C -1.049 173.638 174.600 0.144 0.000 1.161 151 S CA -0.809 57.411 58.200 0.035 0.000 0.817 151 S CB 0.193 63.489 63.200 0.160 0.000 1.131 151 S HN 0.392 nan 8.310 nan 0.000 0.467 152 Y N 3.825 124.054 120.300 -0.118 0.000 2.881 152 Y HA 0.203 4.753 4.550 0.001 0.000 0.335 152 Y C -1.554 174.138 175.900 -0.347 0.000 1.263 152 Y CA -0.894 57.099 58.100 -0.179 0.000 1.572 152 Y CB 0.508 38.711 38.460 -0.428 0.000 1.237 152 Y HN 0.503 nan 8.280 nan 0.000 0.568 153 P HA -0.090 nan 4.420 nan 0.000 0.230 153 P C 0.928 178.011 177.300 -0.363 0.000 1.158 153 P CA 1.553 64.411 63.100 -0.403 0.000 0.769 153 P CB -0.036 31.370 31.700 -0.490 0.000 0.807 154 A N -0.634 121.804 122.820 -0.636 0.000 2.019 154 A HA -0.204 4.117 4.320 0.001 0.000 0.219 154 A C 1.913 179.329 177.584 -0.280 0.000 1.164 154 A CA 1.187 52.982 52.037 -0.403 0.000 0.644 154 A CB -1.548 17.196 19.000 -0.427 0.000 0.805 154 A HN 0.075 nan 8.150 nan 0.000 0.449 155 Y N -0.366 119.758 120.300 -0.294 0.000 2.114 155 Y HA -0.132 4.419 4.550 0.001 0.000 0.284 155 Y C 2.604 178.240 175.900 -0.440 0.000 1.143 155 Y CA 0.722 58.485 58.100 -0.562 0.000 1.135 155 Y CB -1.355 36.688 38.460 -0.694 0.000 0.980 155 Y HN 0.070 nan 8.280 nan 0.000 0.499 156 V N 0.431 120.261 119.914 -0.139 0.000 2.295 156 V HA -0.258 3.862 4.120 0.001 0.000 0.246 156 V C 1.912 177.893 176.094 -0.188 0.000 1.049 156 V CA 2.253 64.475 62.300 -0.131 0.000 1.024 156 V CB -0.600 31.218 31.823 -0.008 0.000 0.648 156 V HN 0.296 nan 8.190 nan 0.000 0.447 157 D N 0.212 120.515 120.400 -0.163 0.000 2.117 157 D HA -0.126 4.514 4.640 0.001 0.000 0.197 157 D C 2.436 178.632 176.300 -0.173 0.000 0.987 157 D CA 1.712 55.607 54.000 -0.175 0.000 0.829 157 D CB -0.366 40.380 40.800 -0.091 0.000 0.961 157 D HN 0.580 nan 8.370 nan 0.000 0.460 158 S N -0.339 115.271 115.700 -0.150 0.000 2.382 158 S HA -0.171 4.300 4.470 0.001 0.000 0.228 158 S C 2.102 176.658 174.600 -0.073 0.000 1.027 158 S CA 1.565 59.704 58.200 -0.101 0.000 0.991 158 S CB -0.427 62.733 63.200 -0.067 0.000 0.823 158 S HN 0.126 nan 8.310 nan 0.000 0.469 159 S N 0.862 116.504 115.700 -0.096 0.000 2.368 159 S HA -0.074 4.397 4.470 0.001 0.000 0.225 159 S C 1.858 176.401 174.600 -0.094 0.000 1.030 159 S CA 1.399 59.564 58.200 -0.058 0.000 0.999 159 S CB -0.740 62.419 63.200 -0.069 0.000 0.844 159 S HN 0.457 nan 8.310 nan 0.000 0.459 160 V N 2.091 121.884 119.914 -0.200 0.000 2.261 160 V HA -0.163 3.958 4.120 0.001 0.000 0.246 160 V C 2.292 178.312 176.094 -0.124 0.000 1.047 160 V CA 2.048 64.205 62.300 -0.239 0.000 1.015 160 V CB -0.684 30.844 31.823 -0.491 0.000 0.642 160 V HN 0.514 nan 8.190 nan 0.000 0.446 161 I N -0.642 119.861 120.570 -0.112 0.000 2.264 161 I HA -0.278 3.892 4.170 0.001 0.000 0.248 161 I C 2.346 178.443 176.117 -0.032 0.000 1.111 161 I CA 1.425 62.685 61.300 -0.065 0.000 1.382 161 I CB -0.297 37.661 38.000 -0.069 0.000 1.060 161 I HN 0.278 nan 8.210 nan 0.000 0.418 162 M N -0.146 119.442 119.600 -0.019 0.000 2.619 162 M HA 0.099 4.580 4.480 0.001 0.000 0.251 162 M C 1.587 177.896 176.300 0.015 0.000 1.106 162 M CA 0.900 56.207 55.300 0.012 0.000 1.086 162 M CB -0.900 31.727 32.600 0.047 0.000 1.465 162 M HN 0.468 nan 8.290 nan 0.000 0.506 163 G N 0.478 109.279 108.800 0.002 0.000 2.131 163 G HA2 -0.269 3.691 3.960 0.001 0.000 0.223 163 G HA3 -0.269 3.691 3.960 0.001 0.000 0.223 163 G C 0.683 175.595 174.900 0.020 0.000 0.990 163 G CA 0.329 45.435 45.100 0.011 0.000 0.671 163 G HN 0.504 nan 8.290 nan 0.000 0.521 164 Q N 0.118 119.930 119.800 0.020 0.000 2.444 164 Q HA 0.194 4.535 4.340 0.001 0.000 0.206 164 Q C 1.449 177.470 176.000 0.034 0.000 0.948 164 Q CA 1.153 56.976 55.803 0.032 0.000 0.946 164 Q CB 0.343 29.108 28.738 0.045 0.000 1.027 164 Q HN 0.773 nan 8.270 nan 0.000 0.513 165 T N -4.101 110.473 114.554 0.033 0.000 2.907 165 T HA 0.688 5.038 4.350 0.001 0.000 0.290 165 T C 0.419 175.175 174.700 0.093 0.000 1.066 165 T CA -0.508 61.633 62.100 0.068 0.000 1.012 165 T CB 1.899 70.803 68.868 0.061 0.000 1.184 165 T HN 0.076 nan 8.240 nan 0.000 0.522 166 G N 0.060 108.940 108.800 0.133 0.000 2.543 166 G HA2 0.518 4.478 3.960 0.001 0.000 0.267 166 G HA3 0.518 4.478 3.960 0.001 0.000 0.267 166 G C -0.403 174.624 174.900 0.212 0.000 1.406 166 G CA -0.684 44.497 45.100 0.134 0.000 1.048 166 G HN 0.761 nan 8.290 nan 0.000 0.548 167 Q N -0.996 118.909 119.800 0.176 0.000 2.443 167 Q HA 0.186 4.526 4.340 0.001 0.000 0.232 167 Q C -0.748 175.397 176.000 0.241 0.000 1.026 167 Q CA -0.454 55.480 55.803 0.217 0.000 0.924 167 Q CB 1.229 30.043 28.738 0.126 0.000 1.256 167 Q HN 0.327 nan 8.270 nan 0.000 0.519 168 F N 2.297 122.264 119.950 0.027 0.000 2.495 168 F HA 0.044 4.572 4.527 0.001 0.000 0.365 168 F C 0.523 176.227 175.800 -0.159 0.000 1.090 168 F CA -0.111 57.719 58.000 -0.282 0.000 1.235 168 F CB 0.475 39.188 39.000 -0.478 0.000 1.119 168 F HN 0.323 nan 8.300 nan 0.000 0.562 169 N N 3.680 121.944 118.700 -0.727 0.000 2.444 169 N HA 0.074 4.814 4.740 0.001 0.000 0.262 169 N C 0.640 175.756 175.510 -0.657 0.000 0.974 169 N CA 0.182 52.941 53.050 -0.486 0.000 0.933 169 N CB 1.463 39.745 38.487 -0.341 0.000 1.137 169 N HN 0.793 nan 8.380 nan 0.000 0.498 170 T N 0.019 114.402 114.554 -0.285 0.000 3.023 170 T HA -0.025 4.326 4.350 0.001 0.000 0.266 170 T C 0.855 175.474 174.700 -0.136 0.000 1.093 170 T CA 0.729 62.749 62.100 -0.132 0.000 1.129 170 T CB 0.141 69.031 68.868 0.037 0.000 0.899 170 T HN 0.316 nan 8.240 nan 0.000 0.491 171 D N 1.847 122.157 120.400 -0.149 0.000 2.117 171 D HA -0.060 4.581 4.640 0.001 0.000 0.198 171 D C 2.188 178.406 176.300 -0.137 0.000 0.982 171 D CA 1.635 55.568 54.000 -0.112 0.000 0.828 171 D CB -0.057 40.687 40.800 -0.094 0.000 0.967 171 D HN 0.582 nan 8.370 nan 0.000 0.464 172 V N -3.091 116.691 119.914 -0.219 0.000 3.528 172 V HA 0.177 4.297 4.120 0.001 0.000 0.294 172 V C 0.224 176.126 176.094 -0.320 0.000 1.404 172 V CA -0.255 61.905 62.300 -0.233 0.000 1.065 172 V CB 0.323 32.009 31.823 -0.228 0.000 0.904 172 V HN -0.072 nan 8.190 nan 0.000 0.435 173 Q N 0.547 120.086 119.800 -0.436 0.000 2.478 173 Q HA -0.186 4.155 4.340 0.001 0.000 0.286 173 Q C -0.268 175.346 176.000 -0.644 0.000 1.299 173 Q CA 1.190 56.718 55.803 -0.459 0.000 0.826 173 Q CB -1.632 27.078 28.738 -0.047 0.000 1.199 173 Q HN 0.866 nan 8.270 nan 0.000 0.451 174 K N -0.086 119.713 120.400 -1.001 0.000 2.464 174 K HA 0.477 4.797 4.320 0.001 0.000 0.253 174 K C -0.801 175.492 176.600 -0.512 0.000 0.933 174 K CA -0.751 55.133 56.287 -0.671 0.000 0.801 174 K CB 1.262 33.359 32.500 -0.671 0.000 1.271 174 K HN -0.068 nan 8.250 nan 0.000 0.430 175 Y N 0.427 120.839 120.300 0.187 0.000 2.359 175 Y HA 0.156 4.707 4.550 0.001 0.000 0.330 175 Y C 1.409 177.409 175.900 0.167 0.000 1.143 175 Y CA 0.209 58.442 58.100 0.222 0.000 1.318 175 Y CB 0.704 39.346 38.460 0.302 0.000 1.234 175 Y HN 0.703 nan 8.280 nan 0.000 0.522 176 G N 2.009 110.948 108.800 0.231 0.000 2.484 176 G HA2 0.097 4.057 3.960 0.001 0.000 0.235 176 G HA3 0.097 4.057 3.960 0.001 0.000 0.235 176 G C 0.402 175.405 174.900 0.171 0.000 1.282 176 G CA 0.157 45.348 45.100 0.151 0.000 0.857 176 G HN 0.947 nan 8.290 nan 0.000 0.571 177 N N -1.425 117.355 118.700 0.133 0.000 2.965 177 N HA -0.193 4.547 4.740 0.001 0.000 0.232 177 N C 0.010 175.582 175.510 0.103 0.000 0.913 177 N CA 1.059 54.171 53.050 0.103 0.000 0.981 177 N CB -1.418 37.118 38.487 0.082 0.000 1.077 177 N HN 0.550 nan 8.380 nan 0.000 0.589 178 I N 0.942 121.600 120.570 0.147 0.000 2.359 178 I HA 0.202 4.373 4.170 0.001 0.000 0.294 178 I C 0.523 176.698 176.117 0.096 0.000 0.987 178 I CA -0.695 60.638 61.300 0.055 0.000 1.225 178 I CB 1.523 39.473 38.000 -0.084 0.000 1.366 178 I HN 0.072 nan 8.210 nan 0.000 0.466 179 E N 5.860 126.081 120.200 0.034 0.000 2.052 179 E HA 0.178 4.529 4.350 0.001 0.000 0.283 179 E C -1.566 175.064 176.600 0.050 0.000 1.071 179 E CA -0.209 56.245 56.400 0.089 0.000 0.851 179 E CB 0.220 29.968 29.700 0.079 0.000 1.066 179 E HN 0.213 nan 8.360 nan 0.000 0.396 180 Y N 4.606 124.938 120.300 0.053 0.000 2.425 180 Y HA 0.218 4.769 4.550 0.001 0.000 0.347 180 Y C 0.251 176.161 175.900 0.015 0.000 0.976 180 Y CA -0.413 57.715 58.100 0.046 0.000 1.190 180 Y CB 0.746 39.234 38.460 0.046 0.000 1.136 180 Y HN 0.392 nan 8.280 nan 0.000 0.517 181 M N 4.854 124.516 119.600 0.104 0.000 2.151 181 M HA 0.294 4.774 4.480 0.001 0.000 0.349 181 M C 0.113 176.414 176.300 0.002 0.000 1.284 181 M CA -0.065 55.243 55.300 0.014 0.000 1.173 181 M CB 0.505 33.071 32.600 -0.057 0.000 1.469 181 M HN 0.523 nan 8.290 nan 0.000 0.439 182 R N 1.934 122.438 120.500 0.006 0.000 2.442 182 R HA 0.276 4.616 4.340 0.001 0.000 0.291 182 R C -1.280 174.989 176.300 -0.052 0.000 1.069 182 R CA 0.057 56.157 56.100 0.000 0.000 1.022 182 R CB 0.505 30.808 30.300 0.005 0.000 0.976 182 R HN 0.751 nan 8.270 nan 0.000 0.443 183 C N 3.738 123.010 119.300 -0.046 0.000 2.301 183 C HA 0.510 4.970 4.460 0.001 0.000 0.323 183 C C 0.097 175.010 174.990 -0.129 0.000 1.265 183 C CA -0.547 58.432 59.018 -0.065 0.000 1.503 183 C CB 0.775 28.509 27.740 -0.009 0.000 2.195 183 C HN 0.892 nan 8.230 nan 0.000 0.477 184 T N 0.601 114.906 114.554 -0.414 0.000 2.883 184 T HA 0.502 4.853 4.350 0.001 0.000 0.296 184 T C -2.484 171.439 174.700 -1.295 0.000 1.117 184 T CA -1.531 60.206 62.100 -0.605 0.000 1.006 184 T CB 1.864 70.566 68.868 -0.277 0.000 1.191 184 T HN 0.125 nan 8.240 nan 0.000 0.508 185 P HA -0.044 nan 4.420 nan 0.000 0.218 185 P C 0.948 177.963 177.300 -0.474 0.000 1.148 185 P CA 1.106 63.627 63.100 -0.964 0.000 0.822 185 P CB 0.045 31.509 31.700 -0.393 0.000 0.784 186 E N -0.802 119.210 120.200 -0.313 0.000 2.347 186 E HA -0.100 4.250 4.350 0.001 0.000 0.196 186 E C 0.995 177.510 176.600 -0.143 0.000 1.008 186 E CA 0.842 57.148 56.400 -0.157 0.000 0.852 186 E CB -0.720 28.925 29.700 -0.093 0.000 0.783 186 E HN 0.449 nan 8.360 nan 0.000 0.505 187 N N -1.165 117.409 118.700 -0.211 0.000 2.235 187 N HA 0.130 4.871 4.740 0.001 0.000 0.231 187 N C 0.734 176.192 175.510 -0.087 0.000 1.177 187 N CA 0.355 53.337 53.050 -0.114 0.000 0.874 187 N CB 0.616 39.057 38.487 -0.076 0.000 1.097 187 N HN 0.035 nan 8.380 nan 0.000 0.518 188 G N 0.259 108.945 108.800 -0.191 0.000 2.198 188 G HA2 -0.328 3.633 3.960 0.001 0.000 0.260 188 G HA3 -0.328 3.633 3.960 0.001 0.000 0.260 188 G C 0.069 175.037 174.900 0.113 0.000 1.025 188 G CA 0.049 45.127 45.100 -0.036 0.000 0.769 188 G HN 0.378 nan 8.290 nan 0.000 0.507 189 F N -3.312 116.623 119.950 -0.025 0.000 3.093 189 F HA -0.167 4.360 4.527 -0.000 0.000 0.287 189 F C 0.556 176.389 175.800 0.053 0.000 0.882 189 F CA 1.347 59.308 58.000 -0.064 0.000 1.063 189 F CB -2.010 36.901 39.000 -0.148 0.000 1.097 189 F HN 0.598 nan 8.300 nan 0.000 0.604 190 F N 1.581 121.559 119.950 0.047 0.000 2.529 190 F HA 0.709 5.236 4.527 0.001 0.000 0.320 190 F C -2.558 173.258 175.800 0.027 0.000 1.118 190 F CA -3.038 55.012 58.000 0.084 0.000 0.915 190 F CB 1.574 40.632 39.000 0.096 0.000 1.161 190 F HN -0.347 nan 8.300 nan 0.000 0.445 191 P HA 0.007 nan 4.420 nan 0.000 0.266 191 P C -1.029 176.068 177.300 -0.338 0.000 1.195 191 P CA 0.101 62.932 63.100 -0.448 0.000 0.768 191 P CB 0.496 31.882 31.700 -0.523 0.000 0.838 192 D N 2.905 123.205 120.400 -0.167 0.000 2.416 192 D HA 0.030 4.671 4.640 0.001 0.000 0.240 192 D C 1.045 177.252 176.300 -0.154 0.000 1.250 192 D CA 0.180 54.125 54.000 -0.092 0.000 0.967 192 D CB -0.126 40.646 40.800 -0.046 0.000 1.059 192 D HN 0.248 nan 8.370 nan 0.000 0.512 193 L N 2.478 123.572 121.223 -0.216 0.000 2.265 193 L HA -0.177 4.164 4.340 0.001 0.000 0.215 193 L C 2.425 179.205 176.870 -0.149 0.000 1.117 193 L CA 1.037 55.635 54.840 -0.402 0.000 0.782 193 L CB -0.418 41.303 42.059 -0.563 0.000 0.914 193 L HN 0.371 nan 8.230 nan 0.000 0.441 194 S N -1.480 114.205 115.700 -0.026 0.000 2.474 194 S HA -0.140 4.330 4.470 0.001 0.000 0.235 194 S C 1.781 176.409 174.600 0.047 0.000 0.997 194 S CA 1.233 59.462 58.200 0.049 0.000 0.949 194 S CB -0.628 62.597 63.200 0.041 0.000 0.766 194 S HN 0.578 nan 8.310 nan 0.000 0.517 195 T N -1.306 113.252 114.554 0.007 0.000 3.069 195 T HA 0.382 4.732 4.350 0.001 0.000 0.252 195 T C 0.242 174.959 174.700 0.028 0.000 1.053 195 T CA -0.316 61.794 62.100 0.015 0.000 0.964 195 T CB -0.109 68.757 68.868 -0.004 0.000 1.005 195 T HN 0.142 nan 8.240 nan 0.000 0.532 196 V N 2.263 122.194 119.914 0.028 0.000 2.432 196 V HA 0.659 4.780 4.120 0.001 0.000 0.275 196 V C 1.234 177.458 176.094 0.216 0.000 1.043 196 V CA -0.860 61.482 62.300 0.071 0.000 0.925 196 V CB 0.857 32.632 31.823 -0.080 0.000 0.985 196 V HN 0.559 nan 8.190 nan 0.000 0.466 197 G N 3.818 112.711 108.800 0.155 0.000 2.569 197 G HA2 0.273 4.234 3.960 0.001 0.000 0.249 197 G HA3 0.273 4.234 3.960 0.001 0.000 0.249 197 G C 0.039 175.026 174.900 0.145 0.000 1.216 197 G CA -0.477 44.701 45.100 0.130 0.000 0.845 197 G HN 0.622 nan 8.290 nan 0.000 0.568 198 R N 0.031 120.564 120.500 0.055 0.000 2.537 198 R HA 0.259 4.600 4.340 0.001 0.000 0.280 198 R C 0.174 176.473 176.300 -0.002 0.000 1.058 198 R CA 0.477 56.562 56.100 -0.025 0.000 1.057 198 R CB 0.228 30.477 30.300 -0.085 0.000 0.973 198 R HN 0.707 nan 8.270 nan 0.000 0.438 199 T N -0.896 113.648 114.554 -0.016 0.000 2.865 199 T HA 0.246 4.597 4.350 0.001 0.000 0.294 199 T C 0.436 175.096 174.700 -0.068 0.000 1.119 199 T CA -0.965 61.123 62.100 -0.020 0.000 1.007 199 T CB 1.589 70.463 68.868 0.009 0.000 1.225 199 T HN 0.422 nan 8.240 nan 0.000 0.515 200 D N 0.016 120.365 120.400 -0.084 0.000 2.103 200 D HA 0.075 4.715 4.640 0.001 0.000 0.199 200 D C 0.676 176.846 176.300 -0.217 0.000 0.978 200 D CA 1.172 55.092 54.000 -0.133 0.000 0.829 200 D CB 0.168 40.888 40.800 -0.133 0.000 0.981 200 D HN 0.405 nan 8.370 nan 0.000 0.464 201 I N 1.050 121.466 120.570 -0.257 0.000 2.493 201 I HA 0.357 4.528 4.170 0.001 0.000 0.298 201 I C 0.020 175.995 176.117 -0.237 0.000 0.998 201 I CA -0.750 60.310 61.300 -0.400 0.000 1.137 201 I CB 1.927 39.546 38.000 -0.634 0.000 1.310 201 I HN -0.184 nan 8.210 nan 0.000 0.445 202 I N 5.205 125.617 120.570 -0.263 0.000 2.439 202 I HA 0.299 4.470 4.170 0.001 0.000 0.283 202 I C -0.797 175.202 176.117 -0.198 0.000 1.023 202 I CA -0.385 60.857 61.300 -0.097 0.000 1.100 202 I CB 1.132 39.153 38.000 0.035 0.000 1.238 202 I HN 0.233 nan 8.210 nan 0.000 0.445 203 F N 6.355 126.241 119.950 -0.107 0.000 2.438 203 F HA 0.370 4.897 4.527 0.001 0.000 0.356 203 F C -0.195 175.520 175.800 -0.143 0.000 1.099 203 F CA -0.072 57.765 58.000 -0.271 0.000 1.185 203 F CB 0.643 39.262 39.000 -0.635 0.000 1.115 203 F HN 0.279 nan 8.300 nan 0.000 0.526 204 F N 4.319 124.198 119.950 -0.118 0.000 2.585 204 F HA 0.458 4.985 4.527 0.000 0.000 0.319 204 F C -1.101 174.591 175.800 -0.180 0.000 1.165 204 F CA -1.132 56.827 58.000 -0.068 0.000 0.949 204 F CB 0.941 39.963 39.000 0.037 0.000 1.218 204 F HN 0.472 nan 8.300 nan 0.000 0.453 205 C N 4.898 123.912 119.300 -0.477 0.000 2.322 205 C HA 0.846 5.306 4.460 0.001 0.000 0.324 205 C C -0.652 174.089 174.990 -0.416 0.000 1.284 205 C CA -0.101 58.714 59.018 -0.339 0.000 1.606 205 C CB 0.025 27.706 27.740 -0.098 0.000 2.251 205 C HN 0.812 nan 8.230 nan 0.000 0.502 206 S N 6.689 122.188 115.700 -0.335 0.000 2.668 206 S HA 0.585 5.056 4.470 0.001 0.000 0.277 206 S C -2.984 171.601 174.600 -0.024 0.000 1.170 206 S CA -0.675 57.465 58.200 -0.100 0.000 0.994 206 S CB 1.572 64.892 63.200 0.199 0.000 1.051 206 S HN 0.664 nan 8.310 nan 0.000 0.484 207 P HA 0.117 nan 4.420 nan 0.000 0.265 207 P C -0.569 176.685 177.300 -0.077 0.000 1.193 207 P CA 0.017 63.106 63.100 -0.019 0.000 0.765 207 P CB 0.189 31.871 31.700 -0.030 0.000 0.823 208 N N 2.730 121.327 118.700 -0.172 0.000 2.518 208 N HA 0.032 4.772 4.740 0.001 0.000 0.266 208 N C -0.212 175.151 175.510 -0.245 0.000 1.196 208 N CA -0.068 52.829 53.050 -0.255 0.000 0.947 208 N CB 0.117 38.386 38.487 -0.363 0.000 1.098 208 N HN 0.234 nan 8.380 nan 0.000 0.450 209 N N 3.126 121.651 118.700 -0.293 0.000 2.444 209 N HA 0.385 5.126 4.740 0.001 0.000 0.262 209 N C -2.320 172.789 175.510 -0.668 0.000 0.974 209 N CA -2.209 50.505 53.050 -0.560 0.000 0.933 209 N CB 1.704 39.940 38.487 -0.418 0.000 1.137 209 N HN 0.438 nan 8.380 nan 0.000 0.498 210 P HA 0.113 nan 4.420 nan 0.000 0.275 210 P C 0.694 177.239 177.300 -1.259 0.000 1.310 210 P CA 0.314 62.525 63.100 -1.482 0.000 0.904 210 P CB 0.314 30.691 31.700 -2.204 0.000 1.381 211 T N -4.379 109.403 114.554 -1.287 0.000 3.023 211 T HA 0.190 4.541 4.350 0.001 0.000 0.266 211 T C 1.719 176.004 174.700 -0.690 0.000 1.093 211 T CA 1.228 62.466 62.100 -1.436 0.000 1.129 211 T CB -1.131 66.886 68.868 -1.417 0.000 0.899 211 T HN 0.176 nan 8.240 nan 0.000 0.491 212 G N 1.388 109.960 108.800 -0.380 0.000 2.179 212 G HA2 -0.108 3.852 3.960 0.001 0.000 0.260 212 G HA3 -0.108 3.852 3.960 0.001 0.000 0.260 212 G C 0.323 175.038 174.900 -0.309 0.000 0.977 212 G CA 0.041 44.919 45.100 -0.370 0.000 0.641 212 G HN 1.297 nan 8.290 nan 0.000 0.533 213 A N 0.169 122.794 122.820 -0.326 0.000 2.454 213 A HA 0.750 5.071 4.320 0.001 0.000 0.260 213 A C 0.723 178.266 177.584 -0.067 0.000 1.106 213 A CA 1.075 53.008 52.037 -0.173 0.000 0.780 213 A CB 0.512 19.439 19.000 -0.122 0.000 1.044 213 A HN 2.053 nan 8.150 nan 0.000 0.498 214 A N 2.784 125.603 122.820 -0.002 0.000 2.271 214 A HA 0.667 4.988 4.320 0.001 0.000 0.317 214 A C 0.614 178.266 177.584 0.113 0.000 1.245 214 A CA 0.070 52.145 52.037 0.064 0.000 0.857 214 A CB 0.261 19.292 19.000 0.052 0.000 1.175 214 A HN 2.050 nan 8.150 nan 0.000 0.512 215 A N 2.795 125.739 122.820 0.207 0.000 2.511 215 A HA 0.511 4.831 4.320 0.001 0.000 0.242 215 A C 1.076 178.688 177.584 0.047 0.000 1.069 215 A CA 0.558 52.696 52.037 0.168 0.000 0.763 215 A CB -0.380 18.826 19.000 0.345 0.000 1.001 215 A HN 1.509 nan 8.150 nan 0.000 0.498 216 T N 0.041 114.556 114.554 -0.065 0.000 2.788 216 T HA 0.253 4.604 4.350 0.001 0.000 0.287 216 T C 1.253 175.902 174.700 -0.084 0.000 1.007 216 T CA 0.059 62.119 62.100 -0.066 0.000 1.005 216 T CB 0.614 69.426 68.868 -0.092 0.000 1.012 216 T HN 0.710 nan 8.240 nan 0.000 0.530 217 R N 0.245 120.711 120.500 -0.057 0.000 2.091 217 R HA -0.148 4.193 4.340 0.001 0.000 0.238 217 R C 2.127 178.372 176.300 -0.091 0.000 1.136 217 R CA 1.921 57.986 56.100 -0.059 0.000 0.959 217 R CB -0.368 29.911 30.300 -0.035 0.000 0.856 217 R HN 0.774 nan 8.270 nan 0.000 0.437 218 E N 0.405 120.542 120.200 -0.104 0.000 2.077 218 E HA -0.204 4.146 4.350 0.001 0.000 0.193 218 E C 2.060 178.544 176.600 -0.194 0.000 0.989 218 E CA 1.489 57.817 56.400 -0.119 0.000 0.800 218 E CB -0.120 29.517 29.700 -0.104 0.000 0.746 218 E HN 0.460 nan 8.360 nan 0.000 0.452 219 Q N -0.109 119.491 119.800 -0.333 0.000 2.079 219 Q HA -0.041 4.299 4.340 0.001 0.000 0.200 219 Q C 2.249 178.023 176.000 -0.377 0.000 0.974 219 Q CA 0.958 56.359 55.803 -0.670 0.000 0.840 219 Q CB -0.127 27.865 28.738 -1.244 0.000 0.898 219 Q HN 0.277 nan 8.270 nan 0.000 0.430 220 L N -0.002 121.083 121.223 -0.230 0.000 2.141 220 L HA -0.158 4.183 4.340 0.001 0.000 0.209 220 L C 2.305 179.104 176.870 -0.118 0.000 1.094 220 L CA 0.997 55.744 54.840 -0.155 0.000 0.763 220 L CB -0.534 41.448 42.059 -0.128 0.000 0.908 220 L HN 0.276 nan 8.230 nan 0.000 0.437 221 T N -0.900 113.595 114.554 -0.099 0.000 2.746 221 T HA -0.223 4.128 4.350 0.001 0.000 0.267 221 T C 1.897 176.582 174.700 -0.024 0.000 1.039 221 T CA 1.237 63.302 62.100 -0.059 0.000 1.142 221 T CB -0.142 68.696 68.868 -0.050 0.000 0.866 221 T HN 0.375 nan 8.240 nan 0.000 0.444 222 Q N 0.103 119.892 119.800 -0.019 0.000 2.096 222 Q HA -0.103 4.237 4.340 0.001 0.000 0.204 222 Q C 2.367 178.426 176.000 0.099 0.000 0.982 222 Q CA 1.192 57.027 55.803 0.053 0.000 0.850 222 Q CB -0.369 28.421 28.738 0.086 0.000 0.901 222 Q HN 0.332 nan 8.270 nan 0.000 0.422 223 L N 0.057 121.322 121.223 0.070 0.000 2.017 223 L HA -0.153 4.187 4.340 0.001 0.000 0.208 223 L C 2.138 179.038 176.870 0.050 0.000 1.073 223 L CA 1.393 56.248 54.840 0.025 0.000 0.745 223 L CB -0.420 41.535 42.059 -0.174 0.000 0.894 223 L HN -0.021 nan 8.230 nan 0.000 0.432 224 V N -0.226 119.681 119.914 -0.012 0.000 2.343 224 V HA -0.278 3.843 4.120 0.001 0.000 0.247 224 V C 2.493 178.602 176.094 0.025 0.000 1.051 224 V CA 2.026 64.318 62.300 -0.015 0.000 1.036 224 V CB -0.638 31.155 31.823 -0.049 0.000 0.654 224 V HN 0.508 nan 8.190 nan 0.000 0.451 225 E N -0.669 119.559 120.200 0.047 0.000 2.110 225 E HA -0.242 4.108 4.350 0.001 0.000 0.193 225 E C 2.037 178.690 176.600 0.089 0.000 0.988 225 E CA 1.549 57.982 56.400 0.055 0.000 0.804 225 E CB -0.225 29.508 29.700 0.055 0.000 0.745 225 E HN 0.648 nan 8.360 nan 0.000 0.458 226 F N 1.536 121.472 119.950 -0.023 0.000 2.102 226 F HA -0.158 4.370 4.527 0.002 0.000 0.298 226 F C 2.245 178.024 175.800 -0.036 0.000 1.105 226 F CA 1.496 59.482 58.000 -0.023 0.000 1.239 226 F CB -0.289 38.699 39.000 -0.020 0.000 0.991 226 F HN -0.067 nan 8.300 nan 0.000 0.474 227 A N 0.070 122.909 122.820 0.031 0.000 1.933 227 A HA -0.213 4.107 4.320 0.001 0.000 0.218 227 A C 2.289 179.799 177.584 -0.124 0.000 1.175 227 A CA 1.831 53.813 52.037 -0.092 0.000 0.628 227 A CB -0.827 18.164 19.000 -0.015 0.000 0.814 227 A HN 0.478 nan 8.150 nan 0.000 0.444 228 K N 0.338 120.695 120.400 -0.072 0.000 2.026 228 K HA -0.211 4.110 4.320 0.001 0.000 0.208 228 K C 2.144 178.690 176.600 -0.090 0.000 1.048 228 K CA 1.855 58.104 56.287 -0.065 0.000 0.929 228 K CB -0.171 32.309 32.500 -0.034 0.000 0.713 228 K HN 0.618 nan 8.250 nan 0.000 0.439 229 K N -0.382 119.951 120.400 -0.111 0.000 2.097 229 K HA -0.071 4.249 4.320 0.001 0.000 0.205 229 K C 1.360 177.856 176.600 -0.173 0.000 1.050 229 K CA 1.726 57.941 56.287 -0.119 0.000 0.938 229 K CB -0.056 32.385 32.500 -0.099 0.000 0.718 229 K HN -0.000 nan 8.250 nan 0.000 0.442 230 N N 0.406 118.936 118.700 -0.283 0.000 2.412 230 N HA 0.067 4.808 4.740 0.001 0.000 0.184 230 N C 0.331 175.726 175.510 -0.191 0.000 1.101 230 N CA 0.987 53.858 53.050 -0.298 0.000 0.881 230 N CB 0.742 38.913 38.487 -0.526 0.000 0.969 230 N HN 0.532 nan 8.380 nan 0.000 0.459 231 G N 0.317 109.028 108.800 -0.149 0.000 2.272 231 G HA2 -0.256 3.704 3.960 0.001 0.000 0.280 231 G HA3 -0.256 3.704 3.960 0.001 0.000 0.280 231 G C -0.267 174.574 174.900 -0.099 0.000 1.067 231 G CA 0.444 45.487 45.100 -0.095 0.000 0.902 231 G HN 0.290 nan 8.290 nan 0.000 0.500 232 S N -0.962 114.660 115.700 -0.131 0.000 2.651 232 S HA 0.749 5.220 4.470 0.001 0.000 0.291 232 S C 0.476 175.005 174.600 -0.118 0.000 1.141 232 S CA -0.598 57.524 58.200 -0.130 0.000 1.027 232 S CB 1.663 64.778 63.200 -0.142 0.000 1.043 232 S HN 0.382 nan 8.310 nan 0.000 0.530 233 I N 1.952 122.427 120.570 -0.159 0.000 2.336 233 I HA 0.361 4.531 4.170 0.001 0.000 0.292 233 I C -0.660 175.341 176.117 -0.194 0.000 0.991 233 I CA -0.386 60.817 61.300 -0.162 0.000 1.227 233 I CB 0.934 38.821 38.000 -0.190 0.000 1.366 233 I HN 0.422 nan 8.210 nan 0.000 0.466 234 I N 6.799 127.291 120.570 -0.130 0.000 2.342 234 I HA 0.195 4.366 4.170 0.001 0.000 0.291 234 I C -0.282 175.754 176.117 -0.135 0.000 1.010 234 I CA -0.585 60.644 61.300 -0.119 0.000 1.308 234 I CB 1.350 39.314 38.000 -0.059 0.000 1.400 234 I HN 0.204 nan 8.210 nan 0.000 0.488 235 V N 7.562 127.330 119.914 -0.244 0.000 2.318 235 V HA 0.137 4.257 4.120 0.001 0.000 0.271 235 V C -0.598 175.477 176.094 -0.032 0.000 1.030 235 V CA -0.577 61.602 62.300 -0.202 0.000 0.844 235 V CB 0.521 32.064 31.823 -0.466 0.000 1.015 235 V HN 0.439 nan 8.190 nan 0.000 0.460 236 Y N 3.961 124.203 120.300 -0.097 0.000 2.367 236 Y HA 0.437 4.987 4.550 0.001 0.000 0.342 236 Y C 0.159 176.049 175.900 -0.016 0.000 0.979 236 Y CA -0.744 57.341 58.100 -0.025 0.000 1.161 236 Y CB 1.069 39.471 38.460 -0.097 0.000 1.155 236 Y HN 0.638 nan 8.280 nan 0.000 0.503 237 D N 3.690 123.922 120.400 -0.281 0.000 2.412 237 D HA 0.109 4.750 4.640 0.001 0.000 0.224 237 D C -0.089 176.014 176.300 -0.329 0.000 1.093 237 D CA -0.074 53.806 54.000 -0.201 0.000 0.850 237 D CB 0.936 41.718 40.800 -0.032 0.000 1.046 237 D HN 0.579 nan 8.370 nan 0.000 0.507 238 S N 2.069 117.637 115.700 -0.220 0.000 2.561 238 S HA 0.294 4.765 4.470 0.001 0.000 0.245 238 S C 1.484 176.005 174.600 -0.132 0.000 1.001 238 S CA -0.132 57.998 58.200 -0.118 0.000 1.002 238 S CB 0.644 63.906 63.200 0.103 0.000 0.805 238 S HN 0.364 nan 8.310 nan 0.000 0.458 239 A N 0.634 123.288 122.820 -0.278 0.000 2.125 239 A HA 0.084 4.404 4.320 0.001 0.000 0.219 239 A C 1.093 178.320 177.584 -0.595 0.000 1.156 239 A CA 0.886 52.602 52.037 -0.535 0.000 0.671 239 A CB -0.707 17.890 19.000 -0.671 0.000 0.794 239 A HN 0.701 nan 8.150 nan 0.000 0.459 240 Y N -1.667 118.644 120.300 0.017 0.000 2.584 240 Y HA 0.442 4.993 4.550 0.001 0.000 0.254 240 Y C 2.141 178.261 175.900 0.367 0.000 1.177 240 Y CA -0.202 58.033 58.100 0.226 0.000 1.216 240 Y CB -0.160 38.322 38.460 0.037 0.000 1.172 240 Y HN 0.262 nan 8.280 nan 0.000 0.529 241 A N 0.169 123.216 122.820 0.377 0.000 2.019 241 A HA -0.186 4.134 4.320 0.001 0.000 0.219 241 A C 2.031 179.742 177.584 0.211 0.000 1.164 241 A CA 1.418 53.613 52.037 0.263 0.000 0.644 241 A CB -0.490 18.628 19.000 0.197 0.000 0.805 241 A HN 0.459 nan 8.150 nan 0.000 0.449 242 M N -1.780 117.914 119.600 0.155 0.000 2.630 242 M HA -0.057 4.424 4.480 0.001 0.000 0.254 242 M C 0.888 177.125 176.300 -0.105 0.000 1.092 242 M CA 0.839 56.042 55.300 -0.162 0.000 1.087 242 M CB -0.215 31.898 32.600 -0.811 0.000 1.453 242 M HN 0.542 nan 8.290 nan 0.000 0.509 243 Y N -0.549 119.838 120.300 0.144 0.000 2.529 243 Y HA 0.109 4.659 4.550 0.000 0.000 0.290 243 Y C 0.889 176.816 175.900 0.046 0.000 1.177 243 Y CA -0.195 57.969 58.100 0.108 0.000 1.305 243 Y CB -0.266 38.268 38.460 0.124 0.000 1.047 243 Y HN 0.159 nan 8.280 nan 0.000 0.522 244 M N -0.408 119.282 119.600 0.151 0.000 2.252 244 M HA -0.027 4.454 4.480 0.001 0.000 0.348 244 M C 1.010 177.350 176.300 0.066 0.000 1.334 244 M CA 0.751 56.110 55.300 0.098 0.000 1.071 244 M CB 0.620 33.275 32.600 0.091 0.000 1.763 244 M HN -0.009 nan 8.290 nan 0.000 0.452 245 S N 1.437 117.168 115.700 0.052 0.000 2.641 245 S HA 0.164 4.635 4.470 0.001 0.000 0.239 245 S C -0.103 174.517 174.600 0.033 0.000 1.081 245 S CA -0.263 57.961 58.200 0.039 0.000 0.904 245 S CB 0.230 63.449 63.200 0.031 0.000 0.803 245 S HN 0.734 nan 8.310 nan 0.000 0.510 246 D N 2.514 122.932 120.400 0.031 0.000 2.368 246 D HA 0.091 4.731 4.640 0.001 0.000 0.240 246 D C -0.293 176.025 176.300 0.031 0.000 1.169 246 D CA 0.233 54.249 54.000 0.028 0.000 0.906 246 D CB 0.333 41.149 40.800 0.026 0.000 1.187 246 D HN 0.043 nan 8.370 nan 0.000 0.435 247 D N 1.086 121.501 120.400 0.025 0.000 2.608 247 D HA 0.060 4.700 4.640 0.001 0.000 0.224 247 D C -0.824 175.491 176.300 0.026 0.000 1.123 247 D CA -0.152 53.863 54.000 0.025 0.000 1.030 247 D CB -0.859 39.951 40.800 0.018 0.000 1.093 247 D HN 0.227 nan 8.370 nan 0.000 0.497 248 N N 1.476 120.198 118.700 0.037 0.000 2.362 248 N HA 0.477 5.218 4.740 0.001 0.000 0.299 248 N C -2.571 172.973 175.510 0.058 0.000 1.170 248 N CA -1.800 51.276 53.050 0.043 0.000 0.825 248 N CB 1.556 40.076 38.487 0.056 0.000 1.299 248 N HN 0.047 nan 8.380 nan 0.000 0.502 249 P HA 0.093 nan 4.420 nan 0.000 0.268 249 P C -0.194 177.176 177.300 0.117 0.000 1.205 249 P CA 0.104 63.243 63.100 0.065 0.000 0.771 249 P CB 0.813 32.530 31.700 0.029 0.000 0.858 250 R N 0.260 120.834 120.500 0.123 0.000 2.265 250 R HA 0.178 4.519 4.340 0.001 0.000 0.194 250 R C 0.659 177.097 176.300 0.230 0.000 0.931 250 R CA 0.367 56.570 56.100 0.172 0.000 1.032 250 R CB 0.348 30.728 30.300 0.133 0.000 0.980 250 R HN 0.393 nan 8.270 nan 0.000 0.497 251 S N -0.163 115.632 115.700 0.159 0.000 2.526 251 S HA 0.212 4.683 4.470 0.001 0.000 0.293 251 S C 0.534 175.000 174.600 -0.223 0.000 1.092 251 S CA -0.709 57.564 58.200 0.122 0.000 0.980 251 S CB 1.591 64.986 63.200 0.326 0.000 1.048 251 S HN 0.090 nan 8.310 nan 0.000 0.483 252 I N 3.945 124.047 120.570 -0.781 0.000 2.454 252 I HA 0.041 4.212 4.170 0.001 0.000 0.254 252 I C 0.907 176.709 176.117 -0.525 0.000 1.156 252 I CA 1.479 62.189 61.300 -0.984 0.000 1.433 252 I CB -0.412 36.737 38.000 -1.417 0.000 1.082 252 I HN 0.734 nan 8.210 nan 0.000 0.432 253 F N 0.708 120.614 119.950 -0.073 0.000 2.699 253 F HA 0.002 4.529 4.527 0.001 0.000 0.298 253 F C 2.201 178.006 175.800 0.008 0.000 1.154 253 F CA 0.529 58.524 58.000 -0.008 0.000 1.457 253 F CB -0.994 38.043 39.000 0.061 0.000 1.106 253 F HN 0.194 nan 8.300 nan 0.000 0.585 254 E N 0.055 120.319 120.200 0.106 0.000 2.418 254 E HA -0.082 4.269 4.350 0.001 0.000 0.197 254 E C 0.321 176.935 176.600 0.023 0.000 1.026 254 E CA 0.381 56.822 56.400 0.068 0.000 0.862 254 E CB 0.128 29.853 29.700 0.042 0.000 0.799 254 E HN 0.160 nan 8.360 nan 0.000 0.518 255 I N 2.575 123.135 120.570 -0.015 0.000 2.312 255 I HA 0.181 4.352 4.170 0.001 0.000 0.291 255 I C -2.324 173.796 176.117 0.005 0.000 1.031 255 I CA -3.360 57.923 61.300 -0.029 0.000 1.293 255 I CB 0.231 38.181 38.000 -0.083 0.000 1.403 255 I HN -0.311 nan 8.210 nan 0.000 0.484 256 P HA 0.181 nan 4.420 nan 0.000 0.264 256 P C 0.953 178.259 177.300 0.011 0.000 1.193 256 P CA 0.681 63.792 63.100 0.018 0.000 0.763 256 P CB 0.652 32.358 31.700 0.010 0.000 0.810 257 G N 2.820 111.632 108.800 0.020 0.000 2.234 257 G HA2 -0.313 3.647 3.960 0.001 0.000 0.235 257 G HA3 -0.313 3.647 3.960 0.001 0.000 0.235 257 G C 1.208 176.122 174.900 0.024 0.000 0.997 257 G CA 0.382 45.490 45.100 0.014 0.000 0.623 257 G HN 0.648 nan 8.290 nan 0.000 0.514 258 A N 1.205 124.048 122.820 0.039 0.000 1.978 258 A HA 0.054 4.375 4.320 0.001 0.000 0.220 258 A C 2.104 179.779 177.584 0.152 0.000 1.170 258 A CA 2.301 54.367 52.037 0.050 0.000 0.636 258 A CB -0.411 18.593 19.000 0.006 0.000 0.810 258 A HN 1.010 nan 8.150 nan 0.000 0.448 259 E N 0.698 120.999 120.200 0.168 0.000 2.333 259 E HA -0.206 4.145 4.350 0.001 0.000 0.198 259 E C 1.051 177.680 176.600 0.049 0.000 1.007 259 E CA 1.458 57.926 56.400 0.114 0.000 0.845 259 E CB -0.418 29.289 29.700 0.011 0.000 0.766 259 E HN 0.783 nan 8.360 nan 0.000 0.507 260 E N 0.294 120.514 120.200 0.033 0.000 2.447 260 E HA 0.017 4.367 4.350 0.001 0.000 0.195 260 E C 1.543 178.140 176.600 -0.006 0.000 1.028 260 E CA 0.772 57.174 56.400 0.003 0.000 0.876 260 E CB 0.828 30.526 29.700 -0.004 0.000 0.885 260 E HN 0.310 nan 8.360 nan 0.000 0.500 261 V N -4.072 115.844 119.914 0.005 0.000 3.392 261 V HA 0.554 4.675 4.120 0.001 0.000 0.294 261 V C 0.186 176.266 176.094 -0.025 0.000 1.561 261 V CA -0.183 62.103 62.300 -0.023 0.000 1.056 261 V CB 0.652 32.453 31.823 -0.037 0.000 0.882 261 V HN 0.038 nan 8.190 nan 0.000 0.440 262 A N 2.065 124.899 122.820 0.023 0.000 2.454 262 A HA 0.985 5.306 4.320 0.001 0.000 0.302 262 A C -0.638 177.015 177.584 0.115 0.000 1.079 262 A CA -0.577 51.459 52.037 -0.002 0.000 0.731 262 A CB 2.044 20.960 19.000 -0.139 0.000 1.299 262 A HN 0.733 nan 8.150 nan 0.000 0.413 263 M N 0.083 119.712 119.600 0.049 0.000 2.727 263 M HA 0.875 5.355 4.480 0.001 0.000 0.300 263 M C -0.698 175.628 176.300 0.044 0.000 1.246 263 M CA -0.502 54.882 55.300 0.140 0.000 0.835 263 M CB 2.051 34.663 32.600 0.021 0.000 1.755 263 M HN 0.682 nan 8.290 nan 0.000 0.473 264 E N 0.346 120.621 120.200 0.125 0.000 2.272 264 E HA 0.497 4.848 4.350 0.001 0.000 0.269 264 E C -1.824 174.810 176.600 0.057 0.000 0.877 264 E CA -0.541 55.921 56.400 0.104 0.000 0.755 264 E CB 2.598 32.385 29.700 0.146 0.000 1.192 264 E HN 0.808 nan 8.360 nan 0.000 0.422 265 T N 1.899 116.432 114.554 -0.035 0.000 2.841 265 T HA 0.840 5.191 4.350 0.001 0.000 0.283 265 T C -1.237 173.240 174.700 -0.372 0.000 1.000 265 T CA -0.014 61.975 62.100 -0.184 0.000 0.977 265 T CB 1.264 70.068 68.868 -0.106 0.000 0.979 265 T HN 0.599 nan 8.240 nan 0.000 0.446 266 A N 2.761 125.115 122.820 -0.777 0.000 2.533 266 A HA 0.945 5.265 4.320 0.001 0.000 0.293 266 A C -0.722 176.186 177.584 -1.127 0.000 1.228 266 A CA -0.685 50.735 52.037 -1.028 0.000 0.689 266 A CB 1.526 19.747 19.000 -1.299 0.000 1.303 266 A HN 0.959 nan 8.150 nan 0.000 0.444 267 S N -2.089 112.975 115.700 -1.061 0.000 2.565 267 S HA 0.619 5.089 4.470 0.001 0.000 0.269 267 S C -1.069 173.201 174.600 -0.550 0.000 1.153 267 S CA -0.404 57.436 58.200 -0.599 0.000 0.835 267 S CB 0.656 63.601 63.200 -0.425 0.000 1.122 267 S HN 0.675 nan 8.310 nan 0.000 0.462 268 F N 1.661 121.592 119.950 -0.033 0.000 2.765 268 F HA 0.206 4.734 4.527 0.001 0.000 0.302 268 F C 2.385 178.112 175.800 -0.121 0.000 1.111 268 F CA 0.188 58.164 58.000 -0.041 0.000 1.359 268 F CB 0.068 39.005 39.000 -0.105 0.000 1.097 268 F HN 0.500 nan 8.300 nan 0.000 0.577 269 S N 0.487 116.190 115.700 0.006 0.000 2.359 269 S HA -0.213 4.258 4.470 0.001 0.000 0.223 269 S C 1.742 176.303 174.600 -0.065 0.000 1.039 269 S CA 1.650 59.856 58.200 0.010 0.000 1.042 269 S CB -0.287 62.860 63.200 -0.089 0.000 0.915 269 S HN 0.436 nan 8.310 nan 0.000 0.439 270 N N -0.291 118.265 118.700 -0.240 0.000 2.398 270 N HA 0.071 4.812 4.740 0.001 0.000 0.188 270 N C 0.421 176.142 175.510 0.351 0.000 1.122 270 N CA 0.466 53.502 53.050 -0.023 0.000 0.866 270 N CB 0.073 38.530 38.487 -0.050 0.000 0.970 270 N HN 0.443 nan 8.380 nan 0.000 0.462 271 Y N 0.044 120.467 120.300 0.204 0.000 2.500 271 Y HA 0.396 4.947 4.550 0.001 0.000 0.284 271 Y C 1.881 177.884 175.900 0.171 0.000 1.118 271 Y CA -0.488 57.726 58.100 0.191 0.000 1.241 271 Y CB -0.111 38.435 38.460 0.144 0.000 1.171 271 Y HN -0.029 nan 8.280 nan 0.000 0.540 272 A N -1.094 121.891 122.820 0.275 0.000 2.508 272 A HA 0.553 4.874 4.320 0.001 0.000 0.250 272 A C 1.585 179.327 177.584 0.262 0.000 1.208 272 A CA 0.405 52.531 52.037 0.147 0.000 0.960 272 A CB -0.416 18.440 19.000 -0.240 0.000 1.099 272 A HN 0.480 nan 8.150 nan 0.000 0.542 273 G N -1.056 107.903 108.800 0.265 0.000 2.160 273 G HA2 -0.255 3.706 3.960 0.001 0.000 0.244 273 G HA3 -0.255 3.706 3.960 0.001 0.000 0.244 273 G C 0.124 175.230 174.900 0.343 0.000 1.022 273 G CA 0.304 45.547 45.100 0.237 0.000 0.741 273 G HN 0.350 nan 8.290 nan 0.000 0.508 274 F N 1.808 121.801 119.950 0.072 0.000 2.695 274 F HA 0.146 4.674 4.527 0.001 0.000 0.301 274 F C 2.592 178.412 175.800 0.032 0.000 1.182 274 F CA 0.758 58.800 58.000 0.070 0.000 1.412 274 F CB -0.509 38.574 39.000 0.139 0.000 1.056 274 F HN 0.324 nan 8.300 nan 0.000 0.522 275 T N -3.423 111.211 114.554 0.134 0.000 2.759 275 T HA -0.152 4.199 4.350 0.001 0.000 0.269 275 T C 2.310 177.027 174.700 0.029 0.000 1.042 275 T CA 1.490 63.614 62.100 0.041 0.000 1.140 275 T CB -0.607 68.245 68.868 -0.026 0.000 0.864 275 T HN 0.331 nan 8.240 nan 0.000 0.455 276 G N -0.046 108.762 108.800 0.012 0.000 2.796 276 G HA2 0.239 4.199 3.960 0.001 0.000 0.210 276 G HA3 0.239 4.199 3.960 0.001 0.000 0.210 276 G C 1.454 176.320 174.900 -0.057 0.000 1.146 276 G CA 0.285 45.377 45.100 -0.014 0.000 0.779 276 G HN 0.471 nan 8.290 nan 0.000 0.535 277 V N 0.144 119.981 119.914 -0.129 0.000 2.535 277 V HA 0.122 4.243 4.120 0.001 0.000 0.246 277 V C 0.833 176.841 176.094 -0.144 0.000 1.045 277 V CA 0.412 62.538 62.300 -0.290 0.000 1.058 277 V CB -0.501 30.804 31.823 -0.863 0.000 0.689 277 V HN 0.425 nan 8.190 nan 0.000 0.461 278 R N 0.311 120.815 120.500 0.007 0.000 2.011 278 R HA -0.060 4.281 4.340 0.001 0.000 0.379 278 R C -1.167 175.263 176.300 0.216 0.000 1.107 278 R CA 0.228 56.398 56.100 0.116 0.000 0.754 278 R CB -1.776 28.576 30.300 0.086 0.000 2.460 278 R HN 0.309 nan 8.270 nan 0.000 0.482 279 L N 0.857 122.296 121.223 0.360 0.000 2.710 279 L HA 0.712 5.053 4.340 0.001 0.000 0.262 279 L C 0.105 177.309 176.870 0.556 0.000 0.940 279 L CA 0.445 55.571 54.840 0.477 0.000 0.944 279 L CB 2.033 44.433 42.059 0.569 0.000 1.348 279 L HN 0.729 nan 8.230 nan 0.000 0.425 280 G N 2.933 112.006 108.800 0.454 0.000 2.975 280 G HA2 0.790 4.751 3.960 0.001 0.000 0.291 280 G HA3 0.790 4.751 3.960 0.001 0.000 0.291 280 G C -2.121 173.100 174.900 0.535 0.000 1.334 280 G CA -0.250 45.053 45.100 0.338 0.000 0.843 280 G HN 0.715 nan 8.290 nan 0.000 0.548 281 W N -1.992 119.411 121.300 0.172 0.000 3.066 281 W HA 0.751 5.411 4.660 0.001 0.000 0.330 281 W C -1.279 175.350 176.519 0.183 0.000 1.253 281 W CA -1.081 56.398 57.345 0.223 0.000 1.187 281 W CB 0.981 30.597 29.460 0.259 0.000 1.434 281 W HN 0.597 nan 8.180 nan 0.000 0.572 282 T N 1.778 116.588 114.554 0.425 0.000 2.876 282 T HA 0.597 4.947 4.350 0.001 0.000 0.289 282 T C -1.424 173.538 174.700 0.437 0.000 1.014 282 T CA -0.611 61.632 62.100 0.239 0.000 0.986 282 T CB 1.866 70.732 68.868 -0.004 0.000 1.021 282 T HN 0.431 nan 8.240 nan 0.000 0.458 283 V N 4.229 124.332 119.914 0.315 0.000 2.448 283 V HA 0.562 4.683 4.120 0.001 0.000 0.295 283 V C -0.507 175.703 176.094 0.193 0.000 1.025 283 V CA -0.706 61.742 62.300 0.247 0.000 0.859 283 V CB 1.307 33.174 31.823 0.073 0.000 0.988 283 V HN 0.754 nan 8.190 nan 0.000 0.431 284 I N 7.472 128.150 120.570 0.181 0.000 2.439 284 I HA 0.410 4.581 4.170 0.001 0.000 0.285 284 I C -2.408 173.724 176.117 0.024 0.000 1.021 284 I CA -1.879 59.479 61.300 0.097 0.000 1.091 284 I CB 2.675 40.703 38.000 0.046 0.000 1.242 284 I HN 0.425 nan 8.210 nan 0.000 0.439 285 P HA 0.219 nan 4.420 nan 0.000 0.276 285 P C -0.032 177.220 177.300 -0.079 0.000 1.244 285 P CA -0.491 62.508 63.100 -0.168 0.000 0.801 285 P CB 1.348 32.905 31.700 -0.238 0.000 1.006 286 K N 0.824 121.172 120.400 -0.087 0.000 2.209 286 K HA -0.124 4.196 4.320 0.001 0.000 0.204 286 K C 1.529 178.092 176.600 -0.062 0.000 1.048 286 K CA 1.514 57.763 56.287 -0.064 0.000 0.940 286 K CB -0.136 32.325 32.500 -0.065 0.000 0.729 286 K HN 0.431 nan 8.250 nan 0.000 0.451 287 K N 0.610 120.975 120.400 -0.059 0.000 2.444 287 K HA 0.030 4.351 4.320 0.001 0.000 0.193 287 K C -0.169 176.406 176.600 -0.041 0.000 1.024 287 K CA -0.134 56.126 56.287 -0.045 0.000 1.077 287 K CB 0.200 32.679 32.500 -0.035 0.000 0.833 287 K HN -0.036 nan 8.250 nan 0.000 0.517 288 L N 2.221 123.414 121.223 -0.050 0.000 2.295 288 L HA 0.260 4.600 4.340 0.001 0.000 0.288 288 L C -1.003 175.803 176.870 -0.106 0.000 1.079 288 L CA 0.073 54.875 54.840 -0.064 0.000 0.830 288 L CB 0.116 42.143 42.059 -0.054 0.000 1.200 288 L HN -0.043 nan 8.230 nan 0.000 0.438 289 L N 4.892 126.061 121.223 -0.089 0.000 2.362 289 L HA 0.467 4.808 4.340 0.001 0.000 0.271 289 L C -0.617 176.237 176.870 -0.027 0.000 1.002 289 L CA -1.024 53.781 54.840 -0.059 0.000 0.818 289 L CB 1.445 43.507 42.059 0.004 0.000 1.298 289 L HN 0.329 nan 8.230 nan 0.000 0.420 290 Y N 0.235 120.607 120.300 0.119 0.000 2.258 290 Y HA -0.059 4.491 4.550 0.001 0.000 0.345 290 Y C 1.869 177.816 175.900 0.079 0.000 1.303 290 Y CA 0.426 58.593 58.100 0.112 0.000 1.537 290 Y CB 0.724 39.281 38.460 0.161 0.000 1.383 290 Y HN 0.736 nan 8.280 nan 0.000 0.606 291 S N -0.620 115.236 115.700 0.261 0.000 2.442 291 S HA -0.186 4.285 4.470 0.001 0.000 0.236 291 S C 0.946 175.616 174.600 0.116 0.000 1.007 291 S CA 1.384 59.664 58.200 0.133 0.000 0.965 291 S CB -0.495 62.755 63.200 0.084 0.000 0.773 291 S HN 0.783 nan 8.310 nan 0.000 0.504 292 D N -0.027 120.463 120.400 0.149 0.000 2.328 292 D HA 0.285 4.925 4.640 0.001 0.000 0.221 292 D C 1.388 177.784 176.300 0.161 0.000 1.072 292 D CA 0.505 54.581 54.000 0.127 0.000 0.850 292 D CB -0.516 40.346 40.800 0.103 0.000 0.922 292 D HN 0.576 nan 8.370 nan 0.000 0.516 293 G N -0.137 108.769 108.800 0.176 0.000 2.176 293 G HA2 -0.289 3.672 3.960 0.001 0.000 0.253 293 G HA3 -0.289 3.672 3.960 0.001 0.000 0.253 293 G C -0.049 174.955 174.900 0.173 0.000 0.979 293 G CA -0.025 45.159 45.100 0.140 0.000 0.641 293 G HN 0.406 nan 8.290 nan 0.000 0.530 294 F N 3.975 124.010 119.950 0.141 0.000 2.495 294 F HA 0.520 5.048 4.527 0.001 0.000 0.365 294 F C -1.540 174.351 175.800 0.152 0.000 1.090 294 F CA -1.960 56.138 58.000 0.163 0.000 1.235 294 F CB 1.006 40.133 39.000 0.211 0.000 1.119 294 F HN -0.042 nan 8.300 nan 0.000 0.562 295 P HA 0.019 nan 4.420 nan 0.000 0.276 295 P C 0.728 177.978 177.300 -0.084 0.000 1.243 295 P CA 0.060 63.021 63.100 -0.233 0.000 0.768 295 P CB 1.300 32.828 31.700 -0.288 0.000 0.856 296 V N 3.851 123.684 119.914 -0.134 0.000 2.392 296 V HA -0.297 3.823 4.120 0.001 0.000 0.249 296 V C 2.541 178.654 176.094 0.032 0.000 1.059 296 V CA 2.729 64.931 62.300 -0.162 0.000 1.051 296 V CB -1.574 30.025 31.823 -0.373 0.000 0.658 296 V HN 0.608 nan 8.190 nan 0.000 0.455 297 A N -0.596 122.237 122.820 0.022 0.000 2.024 297 A HA -0.239 4.082 4.320 0.001 0.000 0.220 297 A C 2.315 180.012 177.584 0.189 0.000 1.164 297 A CA 1.844 53.955 52.037 0.123 0.000 0.643 297 A CB -0.414 18.711 19.000 0.207 0.000 0.806 297 A HN 0.552 nan 8.150 nan 0.000 0.451 298 K N -0.680 119.801 120.400 0.136 0.000 2.097 298 K HA -0.117 4.204 4.320 0.001 0.000 0.205 298 K C 1.231 178.014 176.600 0.305 0.000 1.050 298 K CA 1.311 57.706 56.287 0.181 0.000 0.938 298 K CB -0.144 32.353 32.500 -0.004 0.000 0.718 298 K HN 0.356 nan 8.250 nan 0.000 0.442 299 D N 0.178 120.821 120.400 0.406 0.000 2.149 299 D HA -0.108 4.533 4.640 0.001 0.000 0.201 299 D C 1.537 177.933 176.300 0.160 0.000 0.972 299 D CA 0.641 54.828 54.000 0.312 0.000 0.835 299 D CB -0.094 40.936 40.800 0.383 0.000 0.966 299 D HN 0.020 nan 8.370 nan 0.000 0.476 300 F N 1.669 121.579 119.950 -0.066 0.000 2.134 300 F HA -0.156 4.371 4.527 0.001 0.000 0.299 300 F C 2.022 177.687 175.800 -0.225 0.000 1.097 300 F CA 1.177 59.023 58.000 -0.256 0.000 1.264 300 F CB -0.422 38.268 39.000 -0.515 0.000 1.001 300 F HN -0.120 nan 8.300 nan 0.000 0.479 301 N N 0.142 118.799 118.700 -0.073 0.000 2.104 301 N HA -0.255 4.486 4.740 0.001 0.000 0.190 301 N C 2.016 177.522 175.510 -0.007 0.000 1.024 301 N CA 1.391 54.479 53.050 0.064 0.000 0.853 301 N CB -0.216 38.446 38.487 0.291 0.000 1.008 301 N HN 0.069 nan 8.380 nan 0.000 0.424 302 R N 0.515 121.026 120.500 0.018 0.000 2.081 302 R HA 0.036 4.377 4.340 0.001 0.000 0.235 302 R C 1.856 178.120 176.300 -0.060 0.000 1.131 302 R CA 1.118 57.223 56.100 0.009 0.000 0.960 302 R CB -0.712 29.617 30.300 0.048 0.000 0.856 302 R HN 0.289 nan 8.270 nan 0.000 0.436 303 I N 0.571 121.059 120.570 -0.137 0.000 2.163 303 I HA -0.256 3.915 4.170 0.001 0.000 0.243 303 I C 2.024 178.014 176.117 -0.213 0.000 1.085 303 I CA 1.161 62.349 61.300 -0.187 0.000 1.347 303 I CB -0.939 36.915 38.000 -0.245 0.000 1.044 303 I HN 0.135 nan 8.210 nan 0.000 0.408 304 I N 0.728 121.078 120.570 -0.366 0.000 2.335 304 I HA -0.267 3.903 4.170 0.001 0.000 0.251 304 I C 2.639 178.780 176.117 0.041 0.000 1.129 304 I CA 1.173 62.363 61.300 -0.184 0.000 1.402 304 I CB -1.305 36.536 38.000 -0.265 0.000 1.069 304 I HN 0.279 nan 8.210 nan 0.000 0.424 305 C N -0.253 119.046 119.300 -0.002 0.000 2.514 305 C HA 0.024 4.484 4.460 0.001 0.000 0.271 305 C C 2.538 177.525 174.990 -0.006 0.000 1.399 305 C CA 0.792 59.817 59.018 0.011 0.000 1.765 305 C CB -0.866 26.882 27.740 0.015 0.000 1.893 305 C HN 0.506 nan 8.230 nan 0.000 0.531 306 T N -1.642 112.908 114.554 -0.007 0.000 3.038 306 T HA 0.009 4.360 4.350 0.001 0.000 0.244 306 T C 1.280 175.986 174.700 0.010 0.000 1.016 306 T CA 0.761 62.856 62.100 -0.008 0.000 1.098 306 T CB -0.033 68.826 68.868 -0.014 0.000 0.954 306 T HN 0.505 nan 8.240 nan 0.000 0.469 307 C N 1.211 120.530 119.300 0.031 0.000 3.038 307 C HA 0.605 5.065 4.460 0.001 0.000 0.279 307 C C -0.144 174.948 174.990 0.170 0.000 1.276 307 C CA -0.993 58.061 59.018 0.059 0.000 1.697 307 C CB -1.241 26.509 27.740 0.016 0.000 2.032 307 C HN 0.458 nan 8.230 nan 0.000 0.636 308 F N 0.844 120.770 119.950 -0.039 0.000 2.645 308 F HA 0.483 5.011 4.527 0.001 0.000 0.310 308 F C -0.309 175.492 175.800 0.002 0.000 1.102 308 F CA -0.897 57.095 58.000 -0.012 0.000 0.952 308 F CB 1.118 40.102 39.000 -0.026 0.000 1.326 308 F HN -0.251 nan 8.300 nan 0.000 0.456 309 N N 1.691 120.058 118.700 -0.556 0.000 2.238 309 N HA 0.405 5.145 4.740 0.001 0.000 0.235 309 N C -0.338 174.822 175.510 -0.584 0.000 1.209 309 N CA 0.753 53.556 53.050 -0.411 0.000 0.879 309 N CB 1.034 39.451 38.487 -0.117 0.000 1.136 309 N HN 1.062 nan 8.380 nan 0.000 0.517 310 G N 0.132 108.119 108.800 -1.355 0.000 2.663 310 G HA2 0.110 4.071 3.960 0.001 0.000 0.686 310 G HA3 0.110 4.071 3.960 0.001 0.000 0.686 310 G C -0.454 174.106 174.900 -0.566 0.000 1.246 310 G CA -0.525 44.106 45.100 -0.781 0.000 0.795 310 G HN 0.339 nan 8.290 nan 0.000 0.627 311 A N 0.727 123.576 122.820 0.048 0.000 2.366 311 A HA 0.782 5.102 4.320 0.001 0.000 0.249 311 A C 1.311 178.938 177.584 0.071 0.000 1.084 311 A CA 1.171 53.337 52.037 0.216 0.000 0.794 311 A CB 0.631 19.820 19.000 0.315 0.000 1.034 311 A HN 2.446 nan 8.150 nan 0.000 0.491 312 S N 0.466 116.209 115.700 0.071 0.000 2.563 312 S HA -0.027 4.443 4.470 0.001 0.000 0.294 312 S C 1.476 176.081 174.600 0.008 0.000 1.279 312 S CA 0.078 58.287 58.200 0.015 0.000 1.069 312 S CB -0.136 63.067 63.200 0.005 0.000 0.828 312 S HN 0.856 nan 8.310 nan 0.000 0.497 313 N N 6.067 124.751 118.700 -0.026 0.000 2.149 313 N HA -0.165 4.576 4.740 0.001 0.000 0.188 313 N C 1.446 176.939 175.510 -0.029 0.000 1.019 313 N CA 1.908 54.938 53.050 -0.034 0.000 0.857 313 N CB -0.639 37.802 38.487 -0.077 0.000 0.997 313 N HN 0.710 nan 8.380 nan 0.000 0.426 314 I N 0.272 120.817 120.570 -0.041 0.000 2.252 314 I HA -0.159 4.012 4.170 0.001 0.000 0.245 314 I C 1.909 177.999 176.117 -0.046 0.000 1.102 314 I CA 0.887 62.157 61.300 -0.050 0.000 1.385 314 I CB -0.261 37.696 38.000 -0.070 0.000 1.064 314 I HN 0.093 nan 8.210 nan 0.000 0.414 315 S N 0.221 115.895 115.700 -0.044 0.000 2.382 315 S HA -0.215 4.256 4.470 0.001 0.000 0.228 315 S C 1.946 176.590 174.600 0.074 0.000 1.027 315 S CA 1.202 59.380 58.200 -0.038 0.000 0.991 315 S CB -0.280 62.913 63.200 -0.011 0.000 0.823 315 S HN 0.470 nan 8.310 nan 0.000 0.469 316 Q N 0.768 120.610 119.800 0.070 0.000 2.084 316 Q HA -0.040 4.300 4.340 0.001 0.000 0.202 316 Q C 2.542 178.569 176.000 0.044 0.000 0.978 316 Q CA 1.333 57.184 55.803 0.081 0.000 0.844 316 Q CB -0.379 28.403 28.738 0.074 0.000 0.898 316 Q HN 0.609 nan 8.270 nan 0.000 0.426 317 A N 0.983 123.816 122.820 0.023 0.000 1.933 317 A HA -0.117 4.204 4.320 0.001 0.000 0.218 317 A C 2.264 179.864 177.584 0.027 0.000 1.175 317 A CA 1.636 53.680 52.037 0.012 0.000 0.628 317 A CB -1.094 17.904 19.000 -0.003 0.000 0.814 317 A HN 0.481 nan 8.150 nan 0.000 0.444 318 G N -0.492 108.347 108.800 0.065 0.000 2.421 318 G HA2 0.006 3.966 3.960 0.001 0.000 0.216 318 G HA3 0.006 3.966 3.960 0.001 0.000 0.216 318 G C 1.757 176.708 174.900 0.085 0.000 1.171 318 G CA 1.420 46.622 45.100 0.171 0.000 0.775 318 G HN 0.794 nan 8.290 nan 0.000 0.543 319 A N 0.299 123.107 122.820 -0.019 0.000 1.933 319 A HA 0.075 4.395 4.320 0.001 0.000 0.218 319 A C 2.360 179.790 177.584 -0.255 0.000 1.175 319 A CA 1.608 53.350 52.037 -0.492 0.000 0.628 319 A CB -0.436 18.277 19.000 -0.479 0.000 0.814 319 A HN 0.398 nan 8.150 nan 0.000 0.444 320 L N -0.206 120.968 121.223 -0.081 0.000 2.042 320 L HA -0.118 4.222 4.340 0.001 0.000 0.210 320 L C 2.695 179.543 176.870 -0.037 0.000 1.076 320 L CA 2.136 56.955 54.840 -0.035 0.000 0.749 320 L CB -0.573 41.480 42.059 -0.010 0.000 0.893 320 L HN 0.348 nan 8.230 nan 0.000 0.432 321 A N -1.793 121.008 122.820 -0.032 0.000 2.019 321 A HA -0.214 4.106 4.320 0.001 0.000 0.219 321 A C 2.349 179.918 177.584 -0.025 0.000 1.164 321 A CA 1.604 53.632 52.037 -0.016 0.000 0.644 321 A CB -1.401 17.605 19.000 0.009 0.000 0.805 321 A HN 0.630 nan 8.150 nan 0.000 0.449 322 C N -0.817 118.442 119.300 -0.068 0.000 2.422 322 C HA 0.042 4.503 4.460 0.001 0.000 0.279 322 C C 1.488 176.497 174.990 0.032 0.000 1.305 322 C CA 0.335 59.335 59.018 -0.030 0.000 1.757 322 C CB -1.229 26.451 27.740 -0.099 0.000 1.962 322 C HN 0.527 nan 8.230 nan 0.000 0.499 323 L N 1.912 123.141 121.223 0.010 0.000 2.865 323 L HA 0.225 4.566 4.340 0.001 0.000 0.233 323 L C 0.500 177.338 176.870 -0.054 0.000 1.320 323 L CA 0.132 54.957 54.840 -0.026 0.000 1.225 323 L CB -0.977 41.064 42.059 -0.029 0.000 1.542 323 L HN 0.460 nan 8.230 nan 0.000 0.432 324 T N -5.122 109.407 114.554 -0.041 0.000 2.865 324 T HA 0.444 4.794 4.350 0.001 0.000 0.294 324 T C -2.361 172.314 174.700 -0.040 0.000 1.119 324 T CA -1.714 60.361 62.100 -0.041 0.000 1.007 324 T CB 2.263 71.116 68.868 -0.025 0.000 1.225 324 T HN -0.246 nan 8.240 nan 0.000 0.515 325 P HA -0.066 nan 4.420 nan 0.000 0.215 325 P C 1.344 178.628 177.300 -0.025 0.000 1.153 325 P CA 1.103 64.179 63.100 -0.040 0.000 0.853 325 P CB 0.189 31.866 31.700 -0.037 0.000 0.788 326 E N -0.728 119.463 120.200 -0.015 0.000 2.106 326 E HA -0.102 4.248 4.350 0.001 0.000 0.192 326 E C 2.186 178.790 176.600 0.008 0.000 0.984 326 E CA 1.221 57.620 56.400 -0.002 0.000 0.806 326 E CB -0.825 28.875 29.700 0.001 0.000 0.750 326 E HN 0.136 nan 8.360 nan 0.000 0.458 327 G N 0.907 109.711 108.800 0.006 0.000 2.402 327 G HA2 -0.222 3.739 3.960 0.001 0.000 0.216 327 G HA3 -0.222 3.739 3.960 0.001 0.000 0.216 327 G C 1.534 176.453 174.900 0.032 0.000 1.162 327 G CA 0.482 45.593 45.100 0.019 0.000 0.777 327 G HN 0.181 nan 8.290 nan 0.000 0.539 328 L N 0.104 121.334 121.223 0.012 0.000 2.093 328 L HA -0.009 4.331 4.340 0.001 0.000 0.208 328 L C 2.754 179.642 176.870 0.031 0.000 1.085 328 L CA 1.389 56.236 54.840 0.011 0.000 0.755 328 L CB -0.280 41.754 42.059 -0.042 0.000 0.904 328 L HN 0.367 nan 8.230 nan 0.000 0.435 329 E N 0.458 120.667 120.200 0.015 0.000 2.077 329 E HA -0.247 4.103 4.350 0.001 0.000 0.193 329 E C 2.189 178.837 176.600 0.081 0.000 0.989 329 E CA 1.210 57.630 56.400 0.033 0.000 0.800 329 E CB 0.031 29.736 29.700 0.008 0.000 0.746 329 E HN 0.455 nan 8.360 nan 0.000 0.452 330 A N 0.984 123.840 122.820 0.060 0.000 1.873 330 A HA -0.150 4.171 4.320 0.001 0.000 0.215 330 A C 2.232 179.862 177.584 0.077 0.000 1.186 330 A CA 1.552 53.626 52.037 0.061 0.000 0.616 330 A CB -0.475 18.554 19.000 0.049 0.000 0.823 330 A HN 0.301 nan 8.150 nan 0.000 0.442 331 M N -1.510 118.144 119.600 0.090 0.000 2.117 331 M HA -0.155 4.325 4.480 0.001 0.000 0.262 331 M C 2.278 178.626 176.300 0.079 0.000 1.065 331 M CA 1.705 57.068 55.300 0.105 0.000 1.114 331 M CB -0.676 32.000 32.600 0.126 0.000 1.361 331 M HN 0.660 nan 8.290 nan 0.000 0.408 332 H N 0.810 119.873 119.070 -0.012 0.000 2.352 332 H HA -0.179 4.377 4.556 0.001 0.000 0.299 332 H C 2.058 177.384 175.328 -0.004 0.000 1.097 332 H CA 1.859 57.888 56.048 -0.032 0.000 1.311 332 H CB 0.040 29.783 29.762 -0.031 0.000 1.377 332 H HN 0.328 nan 8.280 nan 0.000 0.504 333 K N 0.250 120.676 120.400 0.044 0.000 2.057 333 K HA -0.073 4.247 4.320 0.001 0.000 0.206 333 K C 2.285 178.877 176.600 -0.013 0.000 1.050 333 K CA 1.114 57.405 56.287 0.006 0.000 0.935 333 K CB 0.114 32.641 32.500 0.046 0.000 0.715 333 K HN 0.074 nan 8.250 nan 0.000 0.439 334 V N 1.768 121.683 119.914 0.003 0.000 2.255 334 V HA -0.286 3.835 4.120 0.001 0.000 0.247 334 V C 2.291 178.422 176.094 0.062 0.000 1.051 334 V CA 1.897 64.195 62.300 -0.002 0.000 1.018 334 V CB -0.345 31.532 31.823 0.090 0.000 0.641 334 V HN 0.322 nan 8.190 nan 0.000 0.445 335 I N 0.685 121.292 120.570 0.061 0.000 2.163 335 I HA -0.215 3.955 4.170 0.001 0.000 0.243 335 I C 2.594 178.720 176.117 0.016 0.000 1.085 335 I CA 1.843 63.134 61.300 -0.014 0.000 1.347 335 I CB -0.958 36.815 38.000 -0.379 0.000 1.044 335 I HN 0.425 nan 8.210 nan 0.000 0.408 336 G N 0.405 109.136 108.800 -0.116 0.000 2.422 336 G HA2 -0.313 3.647 3.960 0.001 0.000 0.218 336 G HA3 -0.313 3.647 3.960 0.001 0.000 0.218 336 G C 1.610 176.535 174.900 0.042 0.000 1.146 336 G CA 0.570 45.613 45.100 -0.095 0.000 0.769 336 G HN 0.372 nan 8.290 nan 0.000 0.547 337 F N 0.542 120.444 119.950 -0.080 0.000 2.102 337 F HA -0.066 4.462 4.527 0.002 0.000 0.298 337 F C 2.419 178.242 175.800 0.038 0.000 1.105 337 F CA 1.221 59.174 58.000 -0.078 0.000 1.239 337 F CB -0.148 38.728 39.000 -0.207 0.000 0.991 337 F HN 0.159 nan 8.300 nan 0.000 0.474 338 Y N 0.863 121.331 120.300 0.280 0.000 2.293 338 Y HA -0.098 4.452 4.550 0.000 0.000 0.291 338 Y C 2.331 178.285 175.900 0.089 0.000 1.137 338 Y CA 1.176 59.413 58.100 0.228 0.000 1.202 338 Y CB -0.948 37.868 38.460 0.593 0.000 0.990 338 Y HN 0.072 nan 8.280 nan 0.000 0.537 339 K N -0.226 120.335 120.400 0.269 0.000 2.097 339 K HA -0.207 4.114 4.320 0.001 0.000 0.205 339 K C 2.009 178.623 176.600 0.023 0.000 1.050 339 K CA 1.470 57.842 56.287 0.141 0.000 0.938 339 K CB -0.059 32.512 32.500 0.118 0.000 0.718 339 K HN 0.104 nan 8.250 nan 0.000 0.442 340 E N 1.541 121.718 120.200 -0.039 0.000 2.077 340 E HA -0.167 4.184 4.350 0.001 0.000 0.193 340 E C 1.518 178.049 176.600 -0.114 0.000 0.989 340 E CA 1.428 57.776 56.400 -0.087 0.000 0.800 340 E CB -0.162 29.466 29.700 -0.120 0.000 0.746 340 E HN 0.163 nan 8.360 nan 0.000 0.452 341 N N -0.307 118.281 118.700 -0.187 0.000 2.094 341 N HA -0.133 4.607 4.740 0.001 0.000 0.191 341 N C 1.721 177.214 175.510 -0.028 0.000 1.023 341 N CA 1.956 54.936 53.050 -0.117 0.000 0.857 341 N CB -0.866 37.575 38.487 -0.077 0.000 1.013 341 N HN 0.239 nan 8.380 nan 0.000 0.426 342 T N 1.493 116.033 114.554 -0.022 0.000 2.746 342 T HA -0.062 4.289 4.350 0.001 0.000 0.267 342 T C 1.523 176.218 174.700 -0.009 0.000 1.039 342 T CA 1.013 63.096 62.100 -0.030 0.000 1.142 342 T CB -0.237 68.589 68.868 -0.070 0.000 0.866 342 T HN 0.258 nan 8.240 nan 0.000 0.444 343 N N 1.239 119.933 118.700 -0.011 0.000 2.166 343 N HA 0.021 4.761 4.740 0.001 0.000 0.186 343 N C 1.854 177.371 175.510 0.011 0.000 1.019 343 N CA 0.858 53.907 53.050 -0.002 0.000 0.856 343 N CB -0.475 38.008 38.487 -0.007 0.000 0.993 343 N HN 0.404 nan 8.380 nan 0.000 0.426 344 I N 0.828 121.403 120.570 0.009 0.000 2.208 344 I HA -0.232 3.939 4.170 0.001 0.000 0.245 344 I C 1.936 178.087 176.117 0.057 0.000 1.097 344 I CA 0.987 62.300 61.300 0.022 0.000 1.363 344 I CB -0.204 37.803 38.000 0.011 0.000 1.051 344 I HN 0.045 nan 8.210 nan 0.000 0.413 345 I N 0.447 121.070 120.570 0.089 0.000 2.202 345 I HA -0.262 3.908 4.170 0.001 0.000 0.242 345 I C 2.453 178.690 176.117 0.201 0.000 1.091 345 I CA 1.448 62.857 61.300 0.181 0.000 1.368 345 I CB -0.265 37.865 38.000 0.216 0.000 1.058 345 I HN 0.115 nan 8.210 nan 0.000 0.410 346 I N 0.902 121.540 120.570 0.113 0.000 2.163 346 I HA -0.337 3.834 4.170 0.001 0.000 0.243 346 I C 2.101 178.266 176.117 0.080 0.000 1.085 346 I CA 1.537 62.888 61.300 0.085 0.000 1.347 346 I CB -0.515 37.499 38.000 0.023 0.000 1.044 346 I HN 0.241 nan 8.210 nan 0.000 0.408 347 D N 0.298 120.727 120.400 0.050 0.000 2.144 347 D HA -0.145 4.496 4.640 0.001 0.000 0.199 347 D C 2.227 178.540 176.300 0.023 0.000 0.984 347 D CA 1.570 55.587 54.000 0.029 0.000 0.834 347 D CB -0.475 40.335 40.800 0.017 0.000 0.955 347 D HN 0.293 nan 8.370 nan 0.000 0.465 348 T N 0.348 114.909 114.554 0.013 0.000 2.652 348 T HA -0.147 4.203 4.350 0.001 0.000 0.267 348 T C 1.804 176.429 174.700 -0.125 0.000 1.039 348 T CA 0.920 62.977 62.100 -0.073 0.000 1.153 348 T CB -0.490 68.305 68.868 -0.122 0.000 0.863 348 T HN 0.084 nan 8.240 nan 0.000 0.428 349 F N 1.493 121.434 119.950 -0.015 0.000 2.234 349 F HA -0.041 4.486 4.527 -0.000 0.000 0.299 349 F C 2.802 178.602 175.800 0.001 0.000 1.087 349 F CA 0.827 58.791 58.000 -0.060 0.000 1.340 349 F CB -1.028 37.844 39.000 -0.212 0.000 1.031 349 F HN 0.112 nan 8.300 nan 0.000 0.500 350 T N -0.837 113.792 114.554 0.125 0.000 2.737 350 T HA -0.193 4.158 4.350 0.001 0.000 0.265 350 T C 2.303 177.014 174.700 0.019 0.000 1.038 350 T CA 1.698 63.822 62.100 0.039 0.000 1.144 350 T CB -0.619 68.254 68.868 0.007 0.000 0.866 350 T HN 0.385 nan 8.240 nan 0.000 0.434 351 S N 1.678 117.391 115.700 0.023 0.000 2.419 351 S HA 0.017 4.488 4.470 0.001 0.000 0.233 351 S C 1.880 176.499 174.600 0.032 0.000 1.016 351 S CA 0.761 58.969 58.200 0.014 0.000 0.974 351 S CB -0.754 62.452 63.200 0.009 0.000 0.786 351 S HN 0.455 nan 8.310 nan 0.000 0.492 352 L N 1.007 122.274 121.223 0.074 0.000 2.599 352 L HA 0.285 4.626 4.340 0.001 0.000 0.230 352 L C 1.855 178.767 176.870 0.069 0.000 1.141 352 L CA 0.406 55.334 54.840 0.147 0.000 0.877 352 L CB -0.581 41.640 42.059 0.271 0.000 1.009 352 L HN 0.626 nan 8.230 nan 0.000 0.447 353 G N -1.397 107.354 108.800 -0.080 0.000 2.141 353 G HA2 -0.310 3.650 3.960 0.001 0.000 0.242 353 G HA3 -0.310 3.650 3.960 0.001 0.000 0.242 353 G C -0.029 174.465 174.900 -0.677 0.000 0.982 353 G CA -0.434 44.423 45.100 -0.405 0.000 0.662 353 G HN 0.236 nan 8.290 nan 0.000 0.527 354 Y N 1.019 121.133 120.300 -0.311 0.000 2.301 354 Y HA 0.443 4.994 4.550 0.001 0.000 0.328 354 Y C 0.719 176.436 175.900 -0.305 0.000 1.242 354 Y CA -0.465 57.427 58.100 -0.346 0.000 1.323 354 Y CB 0.704 38.969 38.460 -0.325 0.000 1.266 354 Y HN 0.031 nan 8.280 nan 0.000 0.527 355 D N 2.119 122.427 120.400 -0.153 0.000 2.339 355 D HA 0.238 4.878 4.640 0.001 0.000 0.256 355 D C -0.908 175.189 176.300 -0.338 0.000 1.214 355 D CA 0.179 54.037 54.000 -0.238 0.000 0.877 355 D CB 0.890 41.649 40.800 -0.068 0.000 1.111 355 D HN 0.122 nan 8.370 nan 0.000 0.478 356 V N 3.826 123.474 119.914 -0.444 0.000 2.417 356 V HA 0.365 4.485 4.120 0.001 0.000 0.291 356 V C -0.502 175.305 176.094 -0.478 0.000 1.024 356 V CA -0.812 61.283 62.300 -0.343 0.000 0.861 356 V CB 0.642 32.368 31.823 -0.162 0.000 0.985 356 V HN 0.330 nan 8.190 nan 0.000 0.436 357 Y N 1.859 122.184 120.300 0.042 0.000 2.621 357 Y HA 0.843 5.394 4.550 0.002 0.000 0.334 357 Y C 1.001 176.856 175.900 -0.075 0.000 1.074 357 Y CA 0.386 58.489 58.100 0.006 0.000 1.149 357 Y CB 1.730 40.192 38.460 0.003 0.000 1.302 357 Y HN 0.998 nan 8.280 nan 0.000 0.501 358 G N 0.300 109.102 108.800 0.002 0.000 2.562 358 G HA2 0.184 4.145 3.960 0.001 0.000 0.250 358 G HA3 0.184 4.145 3.960 0.001 0.000 0.250 358 G C 0.892 175.713 174.900 -0.132 0.000 1.269 358 G CA 0.395 45.410 45.100 -0.142 0.000 0.919 358 G HN 1.918 nan 8.290 nan 0.000 0.574 359 G N -1.413 107.251 108.800 -0.228 0.000 2.396 359 G HA2 -0.245 3.716 3.960 0.001 0.000 0.242 359 G HA3 -0.245 3.716 3.960 0.001 0.000 0.242 359 G C 1.435 176.250 174.900 -0.142 0.000 1.069 359 G CA 1.842 46.829 45.100 -0.188 0.000 0.633 359 G HN 1.810 nan 8.290 nan 0.000 0.517 360 K N 0.969 121.305 120.400 -0.107 0.000 2.062 360 K HA 0.105 4.425 4.320 0.001 0.000 0.205 360 K C 1.615 178.186 176.600 -0.048 0.000 1.051 360 K CA 1.870 58.124 56.287 -0.055 0.000 0.941 360 K CB -0.201 32.281 32.500 -0.029 0.000 0.719 360 K HN 0.425 nan 8.250 nan 0.000 0.440 361 N N -0.355 118.291 118.700 -0.090 0.000 2.200 361 N HA 0.252 4.992 4.740 0.001 0.000 0.224 361 N C -1.142 174.308 175.510 -0.100 0.000 1.179 361 N CA 0.392 53.415 53.050 -0.045 0.000 0.877 361 N CB 1.508 39.979 38.487 -0.026 0.000 1.072 361 N HN 0.183 nan 8.380 nan 0.000 0.519 362 A N 0.828 123.466 122.820 -0.302 0.000 2.604 362 A HA 0.530 4.851 4.320 0.001 0.000 0.295 362 A C -2.729 174.330 177.584 -0.876 0.000 1.067 362 A CA -0.945 50.660 52.037 -0.719 0.000 0.683 362 A CB 1.731 19.989 19.000 -1.237 0.000 1.281 362 A HN -0.176 nan 8.150 nan 0.000 0.407 363 P HA 0.330 nan 4.420 nan 0.000 0.228 363 P C -1.299 175.552 177.300 -0.747 0.000 1.764 363 P CA 0.392 62.980 63.100 -0.855 0.000 0.929 363 P CB -1.054 29.994 31.700 -1.086 0.000 1.675 364 Y N -2.255 117.750 120.300 -0.492 0.000 2.656 364 Y HA 0.620 5.171 4.550 0.001 0.000 0.334 364 Y C -0.930 174.819 175.900 -0.253 0.000 1.179 364 Y CA -2.032 55.843 58.100 -0.374 0.000 1.050 364 Y CB 0.737 38.941 38.460 -0.426 0.000 1.308 364 Y HN -0.123 nan 8.280 nan 0.000 0.456 365 V N -1.660 118.277 119.914 0.037 0.000 2.914 365 V HA 0.590 4.711 4.120 0.001 0.000 0.314 365 V C -1.555 174.616 176.094 0.128 0.000 1.084 365 V CA -0.982 61.326 62.300 0.014 0.000 0.963 365 V CB 2.599 34.395 31.823 -0.044 0.000 1.025 365 V HN 1.094 nan 8.190 nan 0.000 0.432 366 W N 4.490 125.715 121.300 -0.124 0.000 2.391 366 W HA 0.695 5.355 4.660 0.000 0.000 0.312 366 W C -1.794 174.770 176.519 0.076 0.000 1.003 366 W CA -0.715 56.584 57.345 -0.077 0.000 1.375 366 W CB 1.850 31.184 29.460 -0.210 0.000 1.253 366 W HN 0.620 nan 8.180 nan 0.000 0.416 367 V N 5.666 125.487 119.914 -0.155 0.000 2.427 367 V HA 0.080 4.201 4.120 0.001 0.000 0.286 367 V C 0.096 176.070 176.094 -0.200 0.000 1.034 367 V CA -0.471 61.642 62.300 -0.313 0.000 0.893 367 V CB 1.147 32.503 31.823 -0.778 0.000 0.982 367 V HN 0.340 nan 8.190 nan 0.000 0.452 368 H N 4.483 123.361 119.070 -0.320 0.000 2.668 368 H HA 0.400 4.956 4.556 0.000 0.000 0.303 368 H C -1.014 173.988 175.328 -0.543 0.000 1.074 368 H CA -1.082 54.623 56.048 -0.572 0.000 1.406 368 H CB 0.516 30.103 29.762 -0.292 0.000 1.442 368 H HN 0.472 nan 8.280 nan 0.000 0.482 369 F N 7.380 127.118 119.950 -0.353 0.000 2.389 369 F HA 0.260 4.789 4.527 0.003 0.000 0.327 369 F C -1.967 173.624 175.800 -0.348 0.000 1.204 369 F CA -2.013 55.836 58.000 -0.252 0.000 1.209 369 F CB 0.773 39.666 39.000 -0.179 0.000 1.460 369 F HN 0.452 nan 8.300 nan 0.000 0.537 370 P HA -0.047 nan 4.420 nan 0.000 0.269 370 P C 0.335 177.545 177.300 -0.150 0.000 1.209 370 P CA 0.398 63.233 63.100 -0.441 0.000 0.776 370 P CB 0.823 32.145 31.700 -0.631 0.000 0.876 371 N N -0.293 118.360 118.700 -0.078 0.000 2.850 371 N HA -0.173 4.568 4.740 0.001 0.000 0.249 371 N C -0.704 174.814 175.510 0.014 0.000 1.060 371 N CA 0.580 53.616 53.050 -0.023 0.000 0.825 371 N CB -0.422 38.047 38.487 -0.030 0.000 1.132 371 N HN 0.614 nan 8.380 nan 0.000 0.564 372 Q N 0.276 120.092 119.800 0.026 0.000 2.423 372 Q HA 0.399 4.739 4.340 0.001 0.000 0.278 372 Q C -0.422 175.604 176.000 0.043 0.000 1.097 372 Q CA -0.647 55.186 55.803 0.050 0.000 0.809 372 Q CB 2.016 30.802 28.738 0.079 0.000 1.391 372 Q HN 0.274 nan 8.270 nan 0.000 0.428 373 S N -0.191 115.543 115.700 0.057 0.000 2.565 373 S HA 0.108 4.579 4.470 0.001 0.000 0.274 373 S C 1.006 175.638 174.600 0.053 0.000 1.309 373 S CA 0.058 58.304 58.200 0.076 0.000 1.043 373 S CB 1.190 64.458 63.200 0.114 0.000 0.939 373 S HN 0.736 nan 8.310 nan 0.000 0.504 374 S N 2.774 118.489 115.700 0.024 0.000 2.402 374 S HA -0.117 4.354 4.470 0.001 0.000 0.229 374 S C 1.308 175.857 174.600 -0.085 0.000 1.021 374 S CA 0.551 58.701 58.200 -0.083 0.000 0.974 374 S CB -0.979 62.144 63.200 -0.129 0.000 0.800 374 S HN 0.899 nan 8.310 nan 0.000 0.484 375 W N 2.281 123.590 121.300 0.016 0.000 2.363 375 W HA 0.004 4.665 4.660 0.002 0.000 0.296 375 W C 2.024 178.605 176.519 0.103 0.000 1.212 375 W CA 0.730 58.100 57.345 0.041 0.000 1.260 375 W CB -0.200 29.255 29.460 -0.008 0.000 1.131 375 W HN 0.277 nan 8.180 nan 0.000 0.530 376 D N -0.370 120.187 120.400 0.262 0.000 2.117 376 D HA -0.155 4.485 4.640 0.001 0.000 0.198 376 D C 2.266 178.613 176.300 0.079 0.000 0.982 376 D CA 1.407 55.504 54.000 0.161 0.000 0.828 376 D CB -0.707 40.158 40.800 0.108 0.000 0.967 376 D HN -0.013 nan 8.370 nan 0.000 0.464 377 V N 1.078 120.980 119.914 -0.020 0.000 2.295 377 V HA -0.227 3.894 4.120 0.001 0.000 0.246 377 V C 2.193 178.203 176.094 -0.141 0.000 1.049 377 V CA 1.310 63.489 62.300 -0.202 0.000 1.024 377 V CB -0.660 30.816 31.823 -0.577 0.000 0.648 377 V HN 0.100 nan 8.190 nan 0.000 0.447 378 F N 1.839 121.678 119.950 -0.185 0.000 2.065 378 F HA -0.267 4.260 4.527 0.001 0.000 0.298 378 F C 2.282 178.069 175.800 -0.022 0.000 1.112 378 F CA 1.916 59.845 58.000 -0.119 0.000 1.212 378 F CB -0.609 38.306 39.000 -0.141 0.000 0.975 378 F HN 0.072 nan 8.300 nan 0.000 0.476 379 A N -0.237 122.627 122.820 0.074 0.000 1.902 379 A HA -0.225 4.096 4.320 0.001 0.000 0.217 379 A C 2.253 179.767 177.584 -0.117 0.000 1.181 379 A CA 1.733 53.760 52.037 -0.017 0.000 0.623 379 A CB -1.068 18.044 19.000 0.188 0.000 0.818 379 A HN 0.627 nan 8.150 nan 0.000 0.443 380 E N -0.168 119.989 120.200 -0.072 0.000 2.051 380 E HA -0.173 4.178 4.350 0.001 0.000 0.192 380 E C 1.894 178.401 176.600 -0.155 0.000 0.991 380 E CA 1.343 57.697 56.400 -0.077 0.000 0.799 380 E CB -0.223 29.463 29.700 -0.024 0.000 0.748 380 E HN 0.660 nan 8.360 nan 0.000 0.449 381 I N 0.701 121.162 120.570 -0.181 0.000 2.179 381 I HA -0.253 3.918 4.170 0.001 0.000 0.242 381 I C 2.543 178.497 176.117 -0.271 0.000 1.088 381 I CA 0.500 61.702 61.300 -0.163 0.000 1.357 381 I CB -0.230 37.735 38.000 -0.058 0.000 1.051 381 I HN 0.259 nan 8.210 nan 0.000 0.409 382 L N 1.244 122.208 121.223 -0.431 0.000 2.017 382 L HA -0.227 4.113 4.340 0.001 0.000 0.208 382 L C 2.442 178.986 176.870 -0.543 0.000 1.073 382 L CA 2.085 56.584 54.840 -0.568 0.000 0.745 382 L CB -0.751 40.840 42.059 -0.779 0.000 0.894 382 L HN 0.209 nan 8.230 nan 0.000 0.432 383 E N -0.004 120.020 120.200 -0.293 0.000 2.038 383 E HA -0.277 4.074 4.350 0.001 0.000 0.195 383 E C 2.131 178.560 176.600 -0.286 0.000 1.000 383 E CA 2.066 58.420 56.400 -0.077 0.000 0.803 383 E CB -0.120 29.591 29.700 0.019 0.000 0.750 383 E HN 0.459 nan 8.360 nan 0.000 0.448 384 K N -1.339 118.870 120.400 -0.319 0.000 2.211 384 K HA 0.077 4.397 4.320 0.001 0.000 0.201 384 K C 1.836 178.137 176.600 -0.498 0.000 1.052 384 K CA 1.393 57.464 56.287 -0.361 0.000 0.973 384 K CB 0.340 32.695 32.500 -0.240 0.000 0.766 384 K HN 0.350 nan 8.250 nan 0.000 0.466 385 T N -3.202 111.063 114.554 -0.481 0.000 3.003 385 T HA 0.064 4.415 4.350 0.001 0.000 0.261 385 T C -0.078 174.416 174.700 -0.343 0.000 1.003 385 T CA -0.363 61.502 62.100 -0.391 0.000 0.917 385 T CB 0.044 68.767 68.868 -0.243 0.000 1.084 385 T HN 0.181 nan 8.240 nan 0.000 0.522 386 H N -0.188 118.770 119.070 -0.187 0.000 2.820 386 H HA -0.103 4.453 4.556 0.001 0.000 0.295 386 H C -0.516 174.719 175.328 -0.155 0.000 1.187 386 H CA 0.611 56.562 56.048 -0.161 0.000 1.144 386 H CB -2.522 27.231 29.762 -0.016 0.000 1.354 386 H HN 0.395 nan 8.280 nan 0.000 0.395 387 V N 1.292 121.134 119.914 -0.121 0.000 2.417 387 V HA 0.324 4.445 4.120 0.001 0.000 0.291 387 V C 0.826 176.885 176.094 -0.059 0.000 1.024 387 V CA -0.840 61.428 62.300 -0.054 0.000 0.861 387 V CB 2.353 34.145 31.823 -0.051 0.000 0.985 387 V HN 0.086 nan 8.190 nan 0.000 0.436 388 V N 4.960 124.882 119.914 0.013 0.000 2.498 388 V HA 0.540 4.661 4.120 0.001 0.000 0.279 388 V C 0.677 176.882 176.094 0.185 0.000 1.048 388 V CA -0.045 62.296 62.300 0.069 0.000 0.967 388 V CB 1.166 33.086 31.823 0.161 0.000 0.988 388 V HN 1.087 nan 8.190 nan 0.000 0.473 389 T N 1.062 115.773 114.554 0.262 0.000 2.762 389 T HA 0.612 4.962 4.350 0.001 0.000 0.272 389 T C -0.275 174.637 174.700 0.353 0.000 0.982 389 T CA -0.748 61.520 62.100 0.280 0.000 1.013 389 T CB 1.979 70.959 68.868 0.186 0.000 1.309 389 T HN 0.490 nan 8.240 nan 0.000 0.572 390 T N 3.161 117.840 114.554 0.207 0.000 2.840 390 T HA 0.542 4.893 4.350 0.001 0.000 0.287 390 T C -2.845 171.826 174.700 -0.050 0.000 0.991 390 T CA -1.136 60.996 62.100 0.053 0.000 0.964 390 T CB 1.481 70.488 68.868 0.232 0.000 0.954 390 T HN 0.538 nan 8.240 nan 0.000 0.438 391 P HA 0.140 nan 4.420 nan 0.000 0.271 391 P C 1.138 178.311 177.300 -0.212 0.000 1.220 391 P CA -0.069 62.717 63.100 -0.523 0.000 0.768 391 P CB 0.842 31.716 31.700 -1.377 0.000 0.848 392 G N 3.129 111.947 108.800 0.031 0.000 2.442 392 G HA2 -0.288 3.672 3.960 0.001 0.000 0.219 392 G HA3 -0.288 3.672 3.960 0.001 0.000 0.219 392 G C 1.550 176.654 174.900 0.341 0.000 1.141 392 G CA 1.039 46.383 45.100 0.407 0.000 0.763 392 G HN 0.603 nan 8.290 nan 0.000 0.554 393 S N 0.481 116.215 115.700 0.057 0.000 2.469 393 S HA 0.063 4.534 4.470 0.001 0.000 0.238 393 S C 2.346 176.949 174.600 0.004 0.000 0.998 393 S CA 1.205 59.452 58.200 0.079 0.000 0.957 393 S CB -0.499 62.760 63.200 0.098 0.000 0.764 393 S HN 0.429 nan 8.310 nan 0.000 0.514 394 G N 0.264 108.923 108.800 -0.235 0.000 2.498 394 G HA2 -0.006 3.955 3.960 0.001 0.000 0.219 394 G HA3 -0.006 3.955 3.960 0.001 0.000 0.219 394 G C 0.638 175.196 174.900 -0.569 0.000 1.119 394 G CA 0.279 45.095 45.100 -0.473 0.000 0.766 394 G HN 0.625 nan 8.290 nan 0.000 0.552 395 F N 0.833 120.722 119.950 -0.101 0.000 2.641 395 F HA 0.466 4.994 4.527 0.002 0.000 0.302 395 F C 1.331 177.143 175.800 0.020 0.000 1.098 395 F CA 0.243 58.192 58.000 -0.085 0.000 1.318 395 F CB 0.532 39.462 39.000 -0.116 0.000 1.035 395 F HN 0.308 nan 8.300 nan 0.000 0.551 396 G N 0.919 109.837 108.800 0.197 0.000 2.497 396 G HA2 -0.104 3.857 3.960 0.001 0.000 0.686 396 G HA3 -0.104 3.857 3.960 0.001 0.000 0.686 396 G C -2.294 172.723 174.900 0.194 0.000 1.288 396 G CA -0.756 44.489 45.100 0.243 0.000 0.899 396 G HN -0.132 nan 8.290 nan 0.000 0.608 397 P HA -0.027 nan 4.420 nan 0.000 0.220 397 P C 1.867 179.239 177.300 0.119 0.000 1.148 397 P CA 1.893 65.035 63.100 0.069 0.000 0.803 397 P CB -0.163 31.494 31.700 -0.072 0.000 0.782 398 G N -0.034 108.850 108.800 0.139 0.000 2.559 398 G HA2 -0.104 3.857 3.960 0.001 0.000 0.216 398 G HA3 -0.104 3.857 3.960 0.001 0.000 0.216 398 G C 1.603 176.665 174.900 0.270 0.000 1.126 398 G CA 0.645 45.845 45.100 0.167 0.000 0.778 398 G HN 0.414 nan 8.290 nan 0.000 0.543 399 G N -0.288 108.709 108.800 0.329 0.000 2.880 399 G HA2 0.147 4.108 3.960 0.001 0.000 0.209 399 G HA3 0.147 4.108 3.960 0.001 0.000 0.209 399 G C 0.560 175.721 174.900 0.436 0.000 1.157 399 G CA -0.053 45.366 45.100 0.531 0.000 0.779 399 G HN 0.404 nan 8.290 nan 0.000 0.539 400 E N 0.463 120.845 120.200 0.305 0.000 2.452 400 E HA 0.373 4.723 4.350 0.001 0.000 0.261 400 E C 1.319 178.061 176.600 0.236 0.000 0.987 400 E CA 0.891 57.420 56.400 0.215 0.000 0.926 400 E CB 0.220 30.013 29.700 0.155 0.000 0.934 400 E HN 0.419 nan 8.360 nan 0.000 0.452 401 G N 2.819 111.683 108.800 0.106 0.000 2.175 401 G HA2 -0.245 3.715 3.960 0.001 0.000 0.244 401 G HA3 -0.245 3.715 3.960 0.001 0.000 0.244 401 G C -0.129 174.610 174.900 -0.267 0.000 0.982 401 G CA 0.100 45.180 45.100 -0.033 0.000 0.641 401 G HN 0.359 nan 8.290 nan 0.000 0.527 402 F N -0.958 118.881 119.950 -0.186 0.000 2.611 402 F HA 0.787 5.314 4.527 0.000 0.000 0.324 402 F C 0.147 175.663 175.800 -0.472 0.000 1.061 402 F CA -1.209 56.466 58.000 -0.541 0.000 0.954 402 F CB 2.382 40.386 39.000 -1.659 0.000 1.301 402 F HN 0.014 nan 8.300 nan 0.000 0.482 403 V N 1.698 121.483 119.914 -0.215 0.000 2.709 403 V HA 0.472 4.593 4.120 0.001 0.000 0.308 403 V C -0.569 175.510 176.094 -0.026 0.000 1.062 403 V CA -0.995 61.234 62.300 -0.118 0.000 0.901 403 V CB 2.053 33.779 31.823 -0.162 0.000 1.003 403 V HN 0.665 nan 8.190 nan 0.000 0.425 404 R N 2.962 123.571 120.500 0.182 0.000 2.297 404 R HA 0.671 5.011 4.340 0.001 0.000 0.308 404 R C -1.412 174.948 176.300 0.101 0.000 1.029 404 R CA -0.275 55.955 56.100 0.216 0.000 0.929 404 R CB 1.414 31.807 30.300 0.155 0.000 1.046 404 R HN 0.544 nan 8.270 nan 0.000 0.461 405 V N 3.502 123.449 119.914 0.055 0.000 2.409 405 V HA 0.181 4.302 4.120 0.001 0.000 0.291 405 V C 0.238 176.377 176.094 0.074 0.000 1.020 405 V CA -0.646 61.699 62.300 0.076 0.000 0.848 405 V CB 1.443 33.299 31.823 0.055 0.000 0.990 405 V HN 0.822 nan 8.190 nan 0.000 0.430 406 S N 3.569 119.309 115.700 0.068 0.000 2.580 406 S HA 0.506 4.977 4.470 0.001 0.000 0.274 406 S C 1.080 175.654 174.600 -0.042 0.000 1.329 406 S CA 0.208 58.390 58.200 -0.030 0.000 1.036 406 S CB 1.409 64.604 63.200 -0.008 0.000 0.919 406 S HN 1.023 nan 8.310 nan 0.000 0.515 407 A N 4.338 127.027 122.820 -0.218 0.000 2.308 407 A HA 0.365 4.685 4.320 0.001 0.000 0.217 407 A C -0.050 177.520 177.584 -0.023 0.000 1.216 407 A CA -0.285 51.683 52.037 -0.116 0.000 0.864 407 A CB -0.203 18.708 19.000 -0.148 0.000 0.902 407 A HN 0.663 nan 8.150 nan 0.000 0.499 408 F N 0.882 120.811 119.950 -0.036 0.000 2.471 408 F HA 0.516 5.044 4.527 0.002 0.000 0.365 408 F C 1.026 176.884 175.800 0.097 0.000 1.095 408 F CA -0.129 57.810 58.000 -0.103 0.000 1.174 408 F CB 0.476 39.318 39.000 -0.263 0.000 1.105 408 F HN 0.202 nan 8.300 nan 0.000 0.535 409 G N 2.185 111.269 108.800 0.474 0.000 2.387 409 G HA2 0.208 4.169 3.960 0.001 0.000 0.294 409 G HA3 0.208 4.169 3.960 0.001 0.000 0.294 409 G C -1.640 173.509 174.900 0.414 0.000 1.509 409 G CA -1.069 44.197 45.100 0.276 0.000 0.806 409 G HN 0.426 nan 8.290 nan 0.000 0.546 410 H N 0.338 119.621 119.070 0.356 0.000 2.948 410 H HA 0.145 4.701 4.556 0.001 0.000 0.351 410 H C 1.709 177.241 175.328 0.340 0.000 1.079 410 H CA 0.176 56.432 56.048 0.348 0.000 1.407 410 H CB 1.345 31.227 29.762 0.200 0.000 1.373 410 H HN 0.638 nan 8.280 nan 0.000 0.605 411 R N 1.737 122.569 120.500 0.553 0.000 2.096 411 R HA -0.148 4.192 4.340 0.001 0.000 0.240 411 R C 1.536 177.952 176.300 0.194 0.000 1.139 411 R CA 1.576 57.865 56.100 0.315 0.000 0.952 411 R CB -0.140 30.352 30.300 0.321 0.000 0.854 411 R HN 0.582 nan 8.270 nan 0.000 0.436 412 E N 0.285 120.599 120.200 0.191 0.000 2.153 412 E HA -0.124 4.227 4.350 0.001 0.000 0.194 412 E C 1.601 178.267 176.600 0.109 0.000 0.988 412 E CA 0.934 57.407 56.400 0.122 0.000 0.811 412 E CB -0.346 29.413 29.700 0.099 0.000 0.746 412 E HN 0.378 nan 8.360 nan 0.000 0.466 413 N N 0.549 119.343 118.700 0.158 0.000 2.216 413 N HA -0.079 4.661 4.740 0.001 0.000 0.183 413 N C 1.778 177.331 175.510 0.072 0.000 1.017 413 N CA 0.521 53.640 53.050 0.115 0.000 0.861 413 N CB -0.099 38.478 38.487 0.149 0.000 0.986 413 N HN 0.151 nan 8.380 nan 0.000 0.428 414 I N 1.155 121.785 120.570 0.101 0.000 2.202 414 I HA -0.166 4.005 4.170 0.001 0.000 0.242 414 I C 2.195 178.329 176.117 0.028 0.000 1.091 414 I CA 0.763 62.107 61.300 0.072 0.000 1.368 414 I CB -1.121 36.926 38.000 0.080 0.000 1.058 414 I HN 0.093 nan 8.210 nan 0.000 0.410 415 L N 0.322 121.563 121.223 0.031 0.000 2.042 415 L HA -0.235 4.106 4.340 0.001 0.000 0.210 415 L C 2.613 179.465 176.870 -0.030 0.000 1.076 415 L CA 1.483 56.327 54.840 0.007 0.000 0.749 415 L CB -0.575 41.496 42.059 0.021 0.000 0.893 415 L HN 0.215 nan 8.230 nan 0.000 0.432 416 E N 0.568 120.750 120.200 -0.029 0.000 2.077 416 E HA -0.200 4.151 4.350 0.001 0.000 0.193 416 E C 2.114 178.617 176.600 -0.161 0.000 0.989 416 E CA 1.540 57.901 56.400 -0.066 0.000 0.800 416 E CB -0.154 29.527 29.700 -0.033 0.000 0.746 416 E HN 0.349 nan 8.360 nan 0.000 0.452 417 A N -0.033 122.667 122.820 -0.201 0.000 1.908 417 A HA -0.221 4.099 4.320 0.001 0.000 0.218 417 A C 2.594 179.755 177.584 -0.705 0.000 1.181 417 A CA 1.631 53.388 52.037 -0.467 0.000 0.627 417 A CB -1.095 17.687 19.000 -0.365 0.000 0.818 417 A HN 0.516 nan 8.150 nan 0.000 0.445 418 C N -0.587 118.531 119.300 -0.303 0.000 2.440 418 C HA -0.053 4.407 4.460 0.001 0.000 0.278 418 C C 2.894 177.805 174.990 -0.131 0.000 1.295 418 C CA 1.117 60.062 59.018 -0.122 0.000 1.738 418 C CB -1.298 26.446 27.740 0.006 0.000 1.987 418 C HN 0.841 nan 8.230 nan 0.000 0.492 419 R N 1.291 121.712 120.500 -0.133 0.000 2.120 419 R HA -0.079 4.261 4.340 0.001 0.000 0.234 419 R C 2.019 178.241 176.300 -0.129 0.000 1.123 419 R CA 1.569 57.609 56.100 -0.099 0.000 0.975 419 R CB -0.494 29.765 30.300 -0.069 0.000 0.866 419 R HN 0.385 nan 8.270 nan 0.000 0.446 420 R N -0.279 120.088 120.500 -0.221 0.000 2.075 420 R HA -0.012 4.329 4.340 0.001 0.000 0.232 420 R C 1.877 178.065 176.300 -0.187 0.000 1.126 420 R CA 1.644 57.599 56.100 -0.241 0.000 0.963 420 R CB -0.343 29.767 30.300 -0.317 0.000 0.858 420 R HN 0.193 nan 8.270 nan 0.000 0.435 421 F N 1.134 121.000 119.950 -0.140 0.000 2.134 421 F HA -0.142 4.385 4.527 0.000 0.000 0.299 421 F C 1.996 177.711 175.800 -0.141 0.000 1.097 421 F CA 1.204 59.108 58.000 -0.159 0.000 1.264 421 F CB -0.521 38.308 39.000 -0.286 0.000 1.001 421 F HN -0.082 nan 8.300 nan 0.000 0.479 422 K N -0.363 120.063 120.400 0.044 0.000 2.097 422 K HA -0.186 4.135 4.320 0.001 0.000 0.206 422 K C 2.123 178.703 176.600 -0.034 0.000 1.049 422 K CA 1.145 57.436 56.287 0.006 0.000 0.933 422 K CB -0.218 32.272 32.500 -0.017 0.000 0.717 422 K HN 0.203 nan 8.250 nan 0.000 0.442 423 Q N 0.690 120.447 119.800 -0.071 0.000 2.119 423 Q HA -0.103 4.237 4.340 0.001 0.000 0.201 423 Q C 2.158 178.058 176.000 -0.166 0.000 0.972 423 Q CA 1.049 56.788 55.803 -0.107 0.000 0.847 423 Q CB -0.179 28.500 28.738 -0.098 0.000 0.903 423 Q HN 0.380 nan 8.270 nan 0.000 0.433 424 L N -0.870 120.225 121.223 -0.213 0.000 2.056 424 L HA -0.162 4.178 4.340 0.001 0.000 0.207 424 L C 1.045 177.678 176.870 -0.396 0.000 1.078 424 L CA 1.357 55.965 54.840 -0.385 0.000 0.749 424 L CB 0.001 41.673 42.059 -0.645 0.000 0.901 424 L HN 0.213 nan 8.230 nan 0.000 0.433 425 Y N -0.360 119.892 120.300 -0.079 0.000 2.507 425 Y HA 0.054 4.604 4.550 0.001 0.000 0.254 425 Y C 1.989 177.874 175.900 -0.025 0.000 1.171 425 Y CA -0.422 57.619 58.100 -0.099 0.000 1.238 425 Y CB -0.188 38.279 38.460 0.012 0.000 1.148 425 Y HN 0.179 nan 8.280 nan 0.000 0.525 426 K N -0.784 119.606 120.400 -0.016 0.000 2.113 426 K HA -0.209 4.112 4.320 0.001 0.000 0.208 426 K C 0.555 177.171 176.600 0.026 0.000 1.047 426 K CA 2.063 58.312 56.287 -0.063 0.000 0.928 426 K CB -0.438 31.943 32.500 -0.199 0.000 0.716 426 K HN 0.301 nan 8.250 nan 0.000 0.446 427 H N -0.121 119.066 119.070 0.195 0.000 2.526 427 H HA 0.137 4.693 4.556 0.000 0.000 0.274 427 H C 1.182 176.563 175.328 0.089 0.000 0.999 427 H CA 0.253 56.378 56.048 0.127 0.000 1.157 427 H CB -0.184 29.630 29.762 0.088 0.000 1.407 427 H HN 0.443 nan 8.280 nan 0.000 0.568 428 H N -0.393 118.690 119.070 0.022 0.000 2.448 428 H HA 0.061 4.617 4.556 0.000 0.000 0.292 428 H C 0.197 175.163 175.328 -0.605 0.000 1.035 428 H CA 0.646 56.541 56.048 -0.255 0.000 1.349 428 H CB 0.899 30.514 29.762 -0.245 0.000 1.425 428 H HN 0.352 nan 8.280 nan 0.000 0.539 429 H N 0.000 119.106 119.070 0.059 0.000 2.539 429 H HA 0.000 4.557 4.556 0.001 0.000 0.296 429 H CA 0.000 56.031 56.048 -0.028 0.000 1.023 429 H CB 0.000 29.691 29.762 -0.118 0.000 1.292 429 H HN 0.000 nan 8.280 nan 0.000 0.496