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_B 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 0.071 0.000 1.382 19 E CA 0.000 56.434 56.400 0.057 0.000 0.976 19 E CB 0.000 29.723 29.700 0.038 0.000 0.812 20 Y N 2.469 122.768 120.300 -0.002 0.000 2.346 20 Y HA 0.420 4.970 4.550 0.000 0.000 0.330 20 Y C -0.680 175.219 175.900 -0.002 0.000 1.178 20 Y CA 0.475 58.574 58.100 -0.001 0.000 1.331 20 Y CB 0.964 39.423 38.460 -0.001 0.000 1.253 20 Y HN 0.496 nan 8.280 nan 0.000 0.529 21 K N 3.394 123.372 120.400 -0.703 0.000 2.375 21 K HA 0.337 4.657 4.320 -0.000 0.000 0.249 21 K C -0.292 175.867 176.600 -0.735 0.000 0.942 21 K CA -0.905 55.101 56.287 -0.469 0.000 0.806 21 K CB 1.748 34.098 32.500 -0.250 0.000 1.227 21 K HN 0.759 nan 8.250 nan 0.000 0.430 22 T N -1.229 113.173 114.554 -0.254 0.000 2.698 22 T HA 0.141 4.491 4.350 -0.000 0.000 0.295 22 T C 0.576 175.204 174.700 -0.121 0.000 1.007 22 T CA -0.208 61.832 62.100 -0.100 0.000 0.980 22 T CB 0.449 69.347 68.868 0.051 0.000 1.036 22 T HN 0.518 nan 8.240 nan 0.000 0.526 23 K N -0.052 120.319 120.400 -0.047 0.000 2.440 23 K HA 0.337 4.657 4.320 -0.000 0.000 0.206 23 K C -0.501 176.087 176.600 -0.020 0.000 1.025 23 K CA -0.254 56.008 56.287 -0.041 0.000 1.135 23 K CB 0.551 33.037 32.500 -0.024 0.000 0.856 23 K HN 0.322 nan 8.250 nan 0.000 0.502 24 V N 1.945 121.852 119.914 -0.012 0.000 2.461 24 V HA 0.064 4.184 4.120 -0.000 0.000 0.275 24 V C 0.298 176.386 176.094 -0.010 0.000 1.047 24 V CA -0.364 61.934 62.300 -0.003 0.000 0.955 24 V CB 1.346 33.173 31.823 0.007 0.000 0.988 24 V HN 0.163 nan 8.190 nan 0.000 0.471 25 S N 5.338 121.033 115.700 -0.008 0.000 2.510 25 S HA 0.233 4.703 4.470 -0.000 0.000 0.279 25 S C 0.450 175.047 174.600 -0.006 0.000 1.284 25 S CA -0.327 57.867 58.200 -0.009 0.000 1.059 25 S CB 0.157 63.353 63.200 -0.007 0.000 0.901 25 S HN 0.718 nan 8.310 nan 0.000 0.491 26 R N 2.726 123.222 120.500 -0.008 0.000 2.640 26 R HA -0.039 4.301 4.340 -0.000 0.000 0.270 26 R C 0.254 176.551 176.300 -0.004 0.000 1.024 26 R CA -0.266 55.831 56.100 -0.006 0.000 1.085 26 R CB 0.237 30.533 30.300 -0.007 0.000 0.963 26 R HN 0.547 nan 8.270 nan 0.000 0.426 27 N N 1.799 120.497 118.700 -0.004 0.000 2.414 27 N HA -0.097 4.643 4.740 -0.000 0.000 0.268 27 N C 0.647 176.156 175.510 -0.002 0.000 1.286 27 N CA 0.701 53.749 53.050 -0.004 0.000 0.896 27 N CB 0.917 39.400 38.487 -0.007 0.000 1.093 27 N HN 0.640 nan 8.380 nan 0.000 0.480 28 S N 2.833 118.534 115.700 0.002 0.000 2.442 28 S HA -0.124 4.346 4.470 -0.000 0.000 0.236 28 S C 1.197 175.803 174.600 0.011 0.000 1.007 28 S CA 0.993 59.198 58.200 0.008 0.000 0.965 28 S CB -0.368 62.839 63.200 0.011 0.000 0.773 28 S HN 0.722 nan 8.310 nan 0.000 0.504 29 N N 1.049 119.751 118.700 0.002 0.000 2.270 29 N HA 0.065 4.805 4.740 -0.000 0.000 0.181 29 N C 1.685 177.187 175.510 -0.014 0.000 1.016 29 N CA 1.285 54.331 53.050 -0.006 0.000 0.870 29 N CB -0.222 38.255 38.487 -0.017 0.000 0.979 29 N HN 0.259 nan 8.380 nan 0.000 0.431 30 M N 0.528 120.119 119.600 -0.014 0.000 2.175 30 M HA -0.010 4.470 4.480 -0.000 0.000 0.264 30 M C 1.911 178.209 176.300 -0.004 0.000 1.063 30 M CA 1.214 56.503 55.300 -0.017 0.000 1.119 30 M CB -1.028 31.562 32.600 -0.018 0.000 1.377 30 M HN 0.022 nan 8.290 nan 0.000 0.415 31 S N 0.563 116.267 115.700 0.006 0.000 2.419 31 S HA -0.099 4.371 4.470 -0.000 0.000 0.233 31 S C 1.836 176.460 174.600 0.041 0.000 1.016 31 S CA 0.982 59.192 58.200 0.016 0.000 0.974 31 S CB -0.211 62.999 63.200 0.016 0.000 0.786 31 S HN 0.491 nan 8.310 nan 0.000 0.492 32 K N 0.784 121.220 120.400 0.059 0.000 2.148 32 K HA 0.039 4.359 4.320 -0.000 0.000 0.204 32 K C 0.243 176.965 176.600 0.204 0.000 1.050 32 K CA 0.438 56.805 56.287 0.133 0.000 0.942 32 K CB -0.361 32.215 32.500 0.127 0.000 0.724 32 K HN 0.329 nan 8.250 nan 0.000 0.446 33 L N 1.964 123.248 121.223 0.102 0.000 2.499 33 L HA -0.078 4.262 4.340 -0.000 0.000 0.273 33 L C 1.593 178.490 176.870 0.045 0.000 1.195 33 L CA -0.208 54.695 54.840 0.105 0.000 0.882 33 L CB 0.431 42.492 42.059 0.003 0.000 1.133 33 L HN 0.090 nan 8.230 nan 0.000 0.483 34 Q N 3.111 122.891 119.800 -0.034 0.000 2.187 34 Q HA 0.139 4.479 4.340 -0.000 0.000 0.199 34 Q C 0.203 176.057 176.000 -0.243 0.000 0.957 34 Q CA 1.218 56.833 55.803 -0.313 0.000 0.857 34 Q CB 0.460 28.568 28.738 -1.050 0.000 0.929 34 Q HN 0.791 nan 8.270 nan 0.000 0.453 35 A N -1.863 120.847 122.820 -0.183 0.000 2.524 35 A HA 0.720 5.040 4.320 -0.000 0.000 0.303 35 A C -0.075 177.450 177.584 -0.097 0.000 1.195 35 A CA -0.555 51.389 52.037 -0.156 0.000 0.651 35 A CB -0.004 18.871 19.000 -0.209 0.000 1.323 35 A HN 0.240 nan 8.150 nan 0.000 0.479 36 G N -1.376 107.370 108.800 -0.089 0.000 2.634 36 G HA2 0.430 4.390 3.960 -0.000 0.000 0.255 36 G HA3 0.430 4.390 3.960 -0.000 0.000 0.255 36 G C -0.260 174.631 174.900 -0.015 0.000 1.205 36 G CA -0.065 45.012 45.100 -0.037 0.000 0.884 36 G HN 0.938 nan 8.290 nan 0.000 0.549 37 Y N 0.564 120.795 120.300 -0.115 0.000 2.597 37 Y HA 0.080 4.630 4.550 -0.000 0.000 0.336 37 Y C 1.496 177.278 175.900 -0.196 0.000 1.216 37 Y CA -0.440 57.571 58.100 -0.148 0.000 1.463 37 Y CB 1.056 39.459 38.460 -0.096 0.000 1.303 37 Y HN 0.364 nan 8.280 nan 0.000 0.576 38 L N 5.129 125.819 121.223 -0.889 0.000 1.990 38 L HA -0.243 4.097 4.340 -0.000 0.000 0.213 38 L C 1.673 178.067 176.870 -0.793 0.000 1.072 38 L CA 2.017 56.303 54.840 -0.923 0.000 0.755 38 L CB -0.927 40.282 42.059 -1.418 0.000 0.889 38 L HN 0.740 nan 8.230 nan 0.000 0.432 39 F N -0.446 119.155 119.950 -0.581 0.000 2.206 39 F HA 0.014 4.541 4.527 -0.000 0.000 0.298 39 F C -0.273 175.477 175.800 -0.082 0.000 1.090 39 F CA 0.928 58.772 58.000 -0.260 0.000 1.323 39 F CB -2.311 36.578 39.000 -0.185 0.000 1.028 39 F HN 0.197 nan 8.300 nan 0.000 0.492 40 P HA -0.161 nan 4.420 nan 0.000 0.220 40 P C 1.368 178.697 177.300 0.048 0.000 1.148 40 P CA 1.320 64.484 63.100 0.106 0.000 0.803 40 P CB 0.053 31.829 31.700 0.127 0.000 0.782 41 E N -0.037 120.153 120.200 -0.017 0.000 2.106 41 E HA -0.151 4.199 4.350 -0.000 0.000 0.192 41 E C 1.862 178.482 176.600 0.033 0.000 0.984 41 E CA 1.142 57.528 56.400 -0.023 0.000 0.806 41 E CB -0.961 28.693 29.700 -0.077 0.000 0.750 41 E HN 0.011 nan 8.360 nan 0.000 0.458 42 I N 0.937 121.520 120.570 0.021 0.000 2.226 42 I HA -0.185 3.985 4.170 -0.000 0.000 0.245 42 I C 2.348 178.572 176.117 0.178 0.000 1.100 42 I CA 1.367 62.717 61.300 0.083 0.000 1.374 42 I CB -1.689 36.341 38.000 0.049 0.000 1.057 42 I HN 0.208 nan 8.210 nan 0.000 0.413 43 A N 0.750 123.657 122.820 0.145 0.000 1.933 43 A HA -0.241 4.079 4.320 -0.000 0.000 0.218 43 A C 2.550 180.212 177.584 0.130 0.000 1.175 43 A CA 1.784 53.906 52.037 0.142 0.000 0.628 43 A CB -0.683 18.391 19.000 0.124 0.000 0.814 43 A HN 0.366 nan 8.150 nan 0.000 0.444 44 R N -0.490 120.074 120.500 0.107 0.000 2.081 44 R HA -0.112 4.228 4.340 -0.000 0.000 0.235 44 R C 2.375 178.746 176.300 0.120 0.000 1.131 44 R CA 1.631 57.783 56.100 0.088 0.000 0.960 44 R CB -0.229 30.101 30.300 0.049 0.000 0.856 44 R HN 0.518 nan 8.270 nan 0.000 0.436 45 R N -0.300 120.303 120.500 0.172 0.000 2.092 45 R HA -0.094 4.246 4.340 -0.000 0.000 0.231 45 R C 2.498 178.953 176.300 0.258 0.000 1.119 45 R CA 1.440 57.690 56.100 0.250 0.000 0.970 45 R CB -0.304 30.254 30.300 0.431 0.000 0.864 45 R HN 0.225 nan 8.270 nan 0.000 0.440 46 R N 0.470 121.118 120.500 0.248 0.000 2.073 46 R HA -0.101 4.239 4.340 -0.000 0.000 0.234 46 R C 2.004 178.423 176.300 0.198 0.000 1.134 46 R CA 1.933 58.158 56.100 0.209 0.000 0.952 46 R CB -0.096 30.314 30.300 0.183 0.000 0.850 46 R HN 0.082 nan 8.270 nan 0.000 0.433 47 S N 0.374 116.165 115.700 0.152 0.000 2.382 47 S HA -0.110 4.360 4.470 -0.000 0.000 0.228 47 S C 1.946 176.606 174.600 0.101 0.000 1.027 47 S CA 1.124 59.393 58.200 0.115 0.000 0.991 47 S CB -0.152 63.100 63.200 0.087 0.000 0.823 47 S HN 0.570 nan 8.310 nan 0.000 0.469 48 A N 0.975 123.858 122.820 0.106 0.000 1.902 48 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 48 A C 1.848 179.469 177.584 0.061 0.000 1.181 48 A CA 2.029 54.106 52.037 0.067 0.000 0.623 48 A CB -0.958 18.083 19.000 0.068 0.000 0.818 48 A HN 0.642 nan 8.150 nan 0.000 0.443 49 H N -0.377 118.718 119.070 0.042 0.000 2.353 49 H HA 0.017 4.573 4.556 -0.000 0.000 0.300 49 H C 1.691 177.056 175.328 0.061 0.000 1.090 49 H CA 1.875 57.954 56.048 0.051 0.000 1.327 49 H CB -0.194 29.639 29.762 0.118 0.000 1.383 49 H HN 0.367 nan 8.280 nan 0.000 0.508 50 L N -0.272 121.026 121.223 0.125 0.000 2.217 50 L HA -0.096 4.244 4.340 -0.000 0.000 0.211 50 L C 2.236 179.103 176.870 -0.006 0.000 1.107 50 L CA 0.435 55.319 54.840 0.073 0.000 0.783 50 L CB -0.134 41.995 42.059 0.118 0.000 0.919 50 L HN 0.359 nan 8.230 nan 0.000 0.442 51 L N -0.342 120.865 121.223 -0.027 0.000 2.093 51 L HA -0.220 4.120 4.340 -0.000 0.000 0.208 51 L C 2.644 179.436 176.870 -0.130 0.000 1.085 51 L CA 1.227 56.034 54.840 -0.054 0.000 0.755 51 L CB -0.349 41.688 42.059 -0.038 0.000 0.904 51 L HN 0.251 nan 8.230 nan 0.000 0.435 52 K N -0.140 120.108 120.400 -0.254 0.000 2.025 52 K HA -0.157 4.163 4.320 -0.000 0.000 0.207 52 K C -0.275 176.001 176.600 -0.540 0.000 1.049 52 K CA 1.251 57.238 56.287 -0.499 0.000 0.933 52 K CB 0.180 32.212 32.500 -0.780 0.000 0.714 52 K HN 0.123 nan 8.250 nan 0.000 0.438 53 Y N -0.223 119.970 120.300 -0.179 0.000 2.705 53 Y HA 0.296 4.846 4.550 -0.000 0.000 0.355 53 Y C -2.208 173.627 175.900 -0.109 0.000 1.039 53 Y CA -2.897 55.111 58.100 -0.153 0.000 1.233 53 Y CB 1.431 39.764 38.460 -0.212 0.000 1.103 53 Y HN 0.107 nan 8.280 nan 0.000 0.624 54 P HA -0.111 nan 4.420 nan 0.000 0.221 54 P C 0.547 177.865 177.300 0.029 0.000 1.145 54 P CA 1.597 64.716 63.100 0.032 0.000 0.795 54 P CB 0.494 32.206 31.700 0.020 0.000 0.775 55 D N -1.316 119.096 120.400 0.020 0.000 2.368 55 D HA 0.170 4.810 4.640 -0.000 0.000 0.218 55 D C 0.584 176.848 176.300 -0.059 0.000 1.112 55 D CA -0.035 53.958 54.000 -0.011 0.000 0.834 55 D CB 0.082 40.873 40.800 -0.015 0.000 0.953 55 D HN 0.059 nan 8.370 nan 0.000 0.505 56 A N 1.051 123.830 122.820 -0.069 0.000 2.511 56 A HA 0.062 4.382 4.320 -0.000 0.000 0.242 56 A C 0.665 178.188 177.584 -0.103 0.000 1.069 56 A CA 0.027 51.937 52.037 -0.212 0.000 0.763 56 A CB 0.386 19.300 19.000 -0.143 0.000 1.001 56 A HN -0.077 nan 8.150 nan 0.000 0.498 57 Q N 2.314 122.025 119.800 -0.148 0.000 2.681 57 Q HA 0.236 4.576 4.340 -0.000 0.000 0.222 57 Q C -0.474 175.533 176.000 0.011 0.000 1.258 57 Q CA -0.076 55.702 55.803 -0.041 0.000 1.014 57 Q CB 0.435 29.149 28.738 -0.040 0.000 1.384 57 Q HN 0.482 nan 8.270 nan 0.000 0.570 58 V N 3.553 123.505 119.914 0.064 0.000 2.614 58 V HA 0.241 4.361 4.120 -0.000 0.000 0.291 58 V C 0.592 176.727 176.094 0.068 0.000 1.049 58 V CA -0.084 62.277 62.300 0.102 0.000 1.038 58 V CB 0.803 32.711 31.823 0.142 0.000 0.980 58 V HN 0.495 nan 8.190 nan 0.000 0.481 59 I N 3.682 124.282 120.570 0.049 0.000 2.362 59 I HA 0.313 4.483 4.170 -0.000 0.000 0.289 59 I C 0.071 176.222 176.117 0.057 0.000 0.994 59 I CA -0.027 61.298 61.300 0.042 0.000 1.158 59 I CB 1.815 39.822 38.000 0.011 0.000 1.315 59 I HN 0.508 nan 8.210 nan 0.000 0.451 60 S N 7.564 123.309 115.700 0.076 0.000 2.404 60 S HA 0.453 4.923 4.470 -0.000 0.000 0.309 60 S C 0.381 175.055 174.600 0.123 0.000 1.076 60 S CA -0.476 57.785 58.200 0.101 0.000 1.095 60 S CB 0.383 63.644 63.200 0.101 0.000 0.972 60 S HN 0.468 nan 8.310 nan 0.000 0.484 61 L N 2.506 123.817 121.223 0.146 0.000 3.202 61 L HA 0.354 4.694 4.340 -0.000 0.000 0.278 61 L C 1.501 178.477 176.870 0.176 0.000 1.268 61 L CA -0.356 54.583 54.840 0.165 0.000 1.034 61 L CB 0.024 42.202 42.059 0.199 0.000 1.407 61 L HN 0.775 nan 8.230 nan 0.000 0.581 62 G N 0.632 109.546 108.800 0.191 0.000 2.618 62 G HA2 0.212 4.172 3.960 -0.000 0.000 0.222 62 G HA3 0.212 4.172 3.960 -0.000 0.000 0.222 62 G C 0.621 175.650 174.900 0.216 0.000 1.520 62 G CA -0.328 44.907 45.100 0.225 0.000 0.930 62 G HN 0.086 nan 8.290 nan 0.000 0.547 63 I N 2.418 123.114 120.570 0.210 0.000 2.775 63 I HA 0.132 4.302 4.170 -0.000 0.000 0.290 63 I C 1.360 177.530 176.117 0.089 0.000 1.203 63 I CA 0.188 61.557 61.300 0.116 0.000 1.433 63 I CB 0.755 38.806 38.000 0.085 0.000 1.354 63 I HN 0.204 nan 8.210 nan 0.000 0.579 64 G N 4.914 113.731 108.800 0.028 0.000 3.008 64 G HA2 0.049 4.009 3.960 -0.000 0.000 0.272 64 G HA3 0.049 4.009 3.960 -0.000 0.000 0.272 64 G C -0.318 174.727 174.900 0.242 0.000 0.764 64 G CA -0.174 45.069 45.100 0.238 0.000 2.029 64 G HN 0.624 nan 8.290 nan 0.000 0.587 65 D N 1.689 122.192 120.400 0.173 0.000 2.303 65 D HA 0.352 4.992 4.640 -0.000 0.000 0.236 65 D C 1.030 177.219 176.300 -0.185 0.000 1.068 65 D CA -0.383 53.599 54.000 -0.029 0.000 0.830 65 D CB 1.155 41.964 40.800 0.014 0.000 1.109 65 D HN 0.257 nan 8.370 nan 0.000 0.496 66 T N 0.434 114.699 114.554 -0.481 0.000 2.903 66 T HA 0.244 4.594 4.350 -0.000 0.000 0.314 66 T C 1.227 175.889 174.700 -0.063 0.000 1.078 66 T CA 0.049 61.834 62.100 -0.525 0.000 1.114 66 T CB 1.009 69.650 68.868 -0.379 0.000 0.987 66 T HN 0.462 nan 8.240 nan 0.000 0.548 67 T N -2.632 112.015 114.554 0.155 0.000 2.966 67 T HA 0.212 4.562 4.350 -0.000 0.000 0.254 67 T C 0.207 175.060 174.700 0.256 0.000 0.961 67 T CA -0.447 61.745 62.100 0.153 0.000 0.915 67 T CB 0.291 69.197 68.868 0.064 0.000 1.186 67 T HN 0.542 nan 8.240 nan 0.000 0.505 68 E N 3.025 123.421 120.200 0.326 0.000 2.319 68 E HA 0.497 4.847 4.350 -0.000 0.000 0.268 68 E C -2.488 174.183 176.600 0.119 0.000 1.050 68 E CA -2.490 54.009 56.400 0.166 0.000 0.878 68 E CB 0.371 30.023 29.700 -0.080 0.000 1.066 68 E HN 0.260 nan 8.360 nan 0.000 0.406 69 P HA 0.102 nan 4.420 nan 0.000 0.269 69 P C -0.032 177.313 177.300 0.075 0.000 1.215 69 P CA -0.013 63.124 63.100 0.063 0.000 0.780 69 P CB 0.422 32.137 31.700 0.026 0.000 0.898 70 I N 2.999 123.630 120.570 0.102 0.000 2.588 70 I HA 0.096 4.266 4.170 -0.000 0.000 0.283 70 I C -1.785 174.390 176.117 0.096 0.000 1.119 70 I CA -1.839 59.546 61.300 0.141 0.000 1.419 70 I CB 0.031 38.146 38.000 0.191 0.000 1.394 70 I HN 0.208 nan 8.210 nan 0.000 0.562 71 P HA -0.005 nan 4.420 nan 0.000 0.265 71 P C 0.326 177.663 177.300 0.062 0.000 1.187 71 P CA 0.083 63.220 63.100 0.061 0.000 0.766 71 P CB 0.494 32.231 31.700 0.063 0.000 0.820 72 E N 1.174 121.399 120.200 0.041 0.000 2.160 72 E HA -0.169 4.181 4.350 -0.000 0.000 0.195 72 E C 1.688 178.312 176.600 0.040 0.000 0.991 72 E CA 0.905 57.327 56.400 0.037 0.000 0.810 72 E CB -0.243 29.472 29.700 0.025 0.000 0.742 72 E HN 0.233 nan 8.360 nan 0.000 0.466 73 V N 1.071 121.008 119.914 0.039 0.000 2.490 73 V HA -0.238 3.882 4.120 -0.000 0.000 0.250 73 V C 1.858 177.980 176.094 0.046 0.000 1.061 73 V CA 1.562 63.883 62.300 0.036 0.000 1.064 73 V CB -0.160 31.680 31.823 0.028 0.000 0.670 73 V HN 0.220 nan 8.190 nan 0.000 0.461 74 I N 0.427 121.038 120.570 0.067 0.000 2.339 74 I HA -0.134 4.036 4.170 -0.000 0.000 0.245 74 I C 2.697 178.875 176.117 0.101 0.000 1.096 74 I CA 1.671 63.031 61.300 0.100 0.000 1.408 74 I CB -0.706 37.384 38.000 0.150 0.000 1.092 74 I HN 0.484 nan 8.210 nan 0.000 0.423 75 T N -2.129 112.477 114.554 0.086 0.000 2.788 75 T HA -0.116 4.234 4.350 -0.000 0.000 0.268 75 T C 1.991 176.706 174.700 0.025 0.000 1.044 75 T CA 1.568 63.696 62.100 0.047 0.000 1.139 75 T CB -0.494 68.395 68.868 0.036 0.000 0.867 75 T HN 0.147 nan 8.240 nan 0.000 0.454 76 S N 1.748 117.468 115.700 0.033 0.000 2.382 76 S HA 0.097 4.567 4.470 -0.000 0.000 0.228 76 S C 2.592 177.208 174.600 0.026 0.000 1.027 76 S CA 0.957 59.175 58.200 0.030 0.000 0.991 76 S CB -0.794 62.426 63.200 0.034 0.000 0.823 76 S HN 0.790 nan 8.310 nan 0.000 0.469 77 A N 1.449 124.286 122.820 0.028 0.000 1.902 77 A HA -0.037 4.283 4.320 -0.000 0.000 0.217 77 A C 2.131 179.718 177.584 0.005 0.000 1.181 77 A CA 1.324 53.373 52.037 0.022 0.000 0.623 77 A CB -0.539 18.478 19.000 0.027 0.000 0.818 77 A HN 0.467 nan 8.150 nan 0.000 0.443 78 M N -0.690 118.909 119.600 -0.002 0.000 2.132 78 M HA -0.108 4.372 4.480 -0.000 0.000 0.263 78 M C 2.577 178.832 176.300 -0.075 0.000 1.065 78 M CA 1.354 56.632 55.300 -0.038 0.000 1.122 78 M CB -0.469 32.098 32.600 -0.055 0.000 1.365 78 M HN 0.477 nan 8.290 nan 0.000 0.411 79 A N 0.602 123.375 122.820 -0.078 0.000 1.902 79 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 79 A C 2.157 179.634 177.584 -0.178 0.000 1.181 79 A CA 2.027 53.966 52.037 -0.165 0.000 0.623 79 A CB -0.684 18.261 19.000 -0.092 0.000 0.818 79 A HN 0.461 nan 8.150 nan 0.000 0.443 80 K N -0.328 120.062 120.400 -0.015 0.000 2.063 80 K HA -0.240 4.080 4.320 -0.000 0.000 0.208 80 K C 2.134 178.749 176.600 0.025 0.000 1.048 80 K CA 1.914 58.237 56.287 0.061 0.000 0.928 80 K CB -0.139 32.395 32.500 0.057 0.000 0.713 80 K HN 0.258 nan 8.250 nan 0.000 0.442 81 K N 0.752 121.143 120.400 -0.016 0.000 2.057 81 K HA -0.074 4.246 4.320 -0.000 0.000 0.207 81 K C 1.761 178.340 176.600 -0.035 0.000 1.049 81 K CA 1.623 57.898 56.287 -0.020 0.000 0.931 81 K CB -0.534 31.947 32.500 -0.031 0.000 0.714 81 K HN 0.264 nan 8.250 nan 0.000 0.440 82 A N 0.512 123.274 122.820 -0.097 0.000 1.883 82 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 82 A C 2.012 179.555 177.584 -0.068 0.000 1.186 82 A CA 1.874 53.839 52.037 -0.122 0.000 0.624 82 A CB -0.974 17.897 19.000 -0.215 0.000 0.822 82 A HN 0.482 nan 8.150 nan 0.000 0.444 83 H N -0.232 118.844 119.070 0.011 0.000 2.353 83 H HA -0.098 4.458 4.556 -0.000 0.000 0.300 83 H C 2.027 177.368 175.328 0.023 0.000 1.090 83 H CA 1.672 57.729 56.048 0.014 0.000 1.327 83 H CB -0.461 29.307 29.762 0.010 0.000 1.383 83 H HN 0.686 nan 8.280 nan 0.000 0.508 84 E N 0.472 120.755 120.200 0.138 0.000 2.160 84 E HA -0.127 4.223 4.350 -0.000 0.000 0.195 84 E C 2.207 178.866 176.600 0.098 0.000 0.991 84 E CA 0.499 56.953 56.400 0.091 0.000 0.810 84 E CB -0.099 29.633 29.700 0.053 0.000 0.742 84 E HN 0.358 nan 8.360 nan 0.000 0.466 85 L N 0.816 122.096 121.223 0.096 0.000 2.362 85 L HA -0.099 4.241 4.340 -0.000 0.000 0.219 85 L C 2.231 179.222 176.870 0.202 0.000 1.134 85 L CA 0.839 55.779 54.840 0.167 0.000 0.807 85 L CB -0.262 41.868 42.059 0.119 0.000 0.927 85 L HN 0.144 nan 8.230 nan 0.000 0.447 86 S N -2.118 113.658 115.700 0.126 0.000 2.605 86 S HA 0.033 4.503 4.470 -0.000 0.000 0.217 86 S C 0.810 175.446 174.600 0.061 0.000 0.958 86 S CA -0.117 58.131 58.200 0.081 0.000 0.919 86 S CB -0.570 62.676 63.200 0.076 0.000 0.780 86 S HN 0.409 nan 8.310 nan 0.000 0.507 87 T N -1.229 113.375 114.554 0.084 0.000 2.940 87 T HA 0.596 4.946 4.350 -0.000 0.000 0.288 87 T C 1.205 175.952 174.700 0.077 0.000 1.033 87 T CA -0.998 61.138 62.100 0.061 0.000 1.033 87 T CB 0.813 69.714 68.868 0.055 0.000 1.079 87 T HN -0.068 nan 8.240 nan 0.000 0.496 88 I N 1.452 122.050 120.570 0.048 0.000 2.179 88 I HA -0.135 4.035 4.170 -0.000 0.000 0.242 88 I C 2.726 178.890 176.117 0.079 0.000 1.088 88 I CA 1.606 62.938 61.300 0.053 0.000 1.357 88 I CB -1.158 36.858 38.000 0.025 0.000 1.051 88 I HN 0.845 nan 8.210 nan 0.000 0.409 89 E N 1.012 121.247 120.200 0.058 0.000 2.150 89 E HA -0.129 4.221 4.350 -0.000 0.000 0.193 89 E C 2.083 178.716 176.600 0.056 0.000 0.985 89 E CA 1.514 57.943 56.400 0.049 0.000 0.814 89 E CB -0.679 29.040 29.700 0.032 0.000 0.752 89 E HN 0.480 nan 8.360 nan 0.000 0.466 90 G N 0.122 108.964 108.800 0.069 0.000 2.986 90 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.213 90 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.213 90 G C 0.140 175.077 174.900 0.061 0.000 1.156 90 G CA -0.444 44.689 45.100 0.055 0.000 0.763 90 G HN 0.231 nan 8.290 nan 0.000 0.547 91 Y N 3.132 123.431 120.300 -0.002 0.000 2.511 91 Y HA 0.393 4.943 4.550 0.000 0.000 0.332 91 Y C 0.325 176.217 175.900 -0.013 0.000 1.177 91 Y CA -0.674 57.420 58.100 -0.011 0.000 1.422 91 Y CB 0.824 39.276 38.460 -0.014 0.000 1.271 91 Y HN 0.099 nan 8.280 nan 0.000 0.550 92 S N 3.655 118.734 115.700 -1.036 0.000 2.549 92 S HA 0.821 5.291 4.470 -0.000 0.000 0.280 92 S C -0.098 173.864 174.600 -1.062 0.000 1.109 92 S CA -0.420 57.303 58.200 -0.795 0.000 0.905 92 S CB 1.593 64.588 63.200 -0.342 0.000 1.081 92 S HN 1.003 nan 8.310 nan 0.000 0.477 93 G N 0.494 108.956 108.800 -0.562 0.000 3.329 93 G HA2 0.452 4.412 3.960 -0.000 0.000 0.180 93 G HA3 0.452 4.412 3.960 -0.000 0.000 0.180 93 G C -0.823 173.939 174.900 -0.230 0.000 1.640 93 G CA -0.786 44.116 45.100 -0.329 0.000 1.018 93 G HN 0.638 nan 8.290 nan 0.000 0.581 94 Y N 1.169 121.430 120.300 -0.064 0.000 2.811 94 Y HA 0.338 4.888 4.550 -0.000 0.000 0.334 94 Y C 1.251 177.103 175.900 -0.079 0.000 1.247 94 Y CA 0.664 58.724 58.100 -0.068 0.000 1.526 94 Y CB 0.258 38.691 38.460 -0.045 0.000 1.284 94 Y HN 0.414 nan 8.280 nan 0.000 0.586 95 G N 1.019 109.875 108.800 0.093 0.000 2.491 95 G HA2 0.582 4.542 3.960 -0.000 0.000 0.327 95 G HA3 0.582 4.542 3.960 -0.000 0.000 0.327 95 G C -0.890 174.030 174.900 0.033 0.000 1.189 95 G CA -0.671 44.448 45.100 0.031 0.000 0.956 95 G HN 0.895 nan 8.290 nan 0.000 0.491 96 A N 0.109 122.941 122.820 0.020 0.000 2.546 96 A HA 0.291 4.611 4.320 -0.000 0.000 0.243 96 A C 1.201 178.799 177.584 0.024 0.000 1.063 96 A CA 0.245 52.292 52.037 0.018 0.000 0.757 96 A CB 0.059 19.070 19.000 0.019 0.000 0.991 96 A HN 0.739 nan 8.150 nan 0.000 0.503 97 E N 1.100 121.311 120.200 0.018 0.000 2.209 97 E HA -0.237 4.113 4.350 -0.000 0.000 0.196 97 E C 1.847 178.558 176.600 0.186 0.000 0.993 97 E CA 1.791 58.212 56.400 0.035 0.000 0.819 97 E CB -0.055 29.675 29.700 0.051 0.000 0.745 97 E HN 0.865 nan 8.360 nan 0.000 0.477 98 Q N -0.341 119.564 119.800 0.174 0.000 2.369 98 Q HA 0.037 4.377 4.340 -0.000 0.000 0.206 98 Q C 0.132 176.236 176.000 0.173 0.000 0.963 98 Q CA 0.613 56.542 55.803 0.211 0.000 0.894 98 Q CB 0.268 29.035 28.738 0.049 0.000 0.965 98 Q HN 0.231 nan 8.270 nan 0.000 0.475 99 G N -0.636 108.243 108.800 0.131 0.000 2.617 99 G HA2 0.026 3.986 3.960 -0.000 0.000 0.686 99 G HA3 0.026 3.986 3.960 -0.000 0.000 0.686 99 G C -0.753 174.185 174.900 0.062 0.000 1.214 99 G CA -0.670 44.501 45.100 0.119 0.000 0.796 99 G HN 0.408 nan 8.290 nan 0.000 0.654 100 A N 1.086 123.938 122.820 0.053 0.000 2.565 100 A HA 0.471 4.790 4.320 -0.000 0.000 0.237 100 A C 1.634 179.228 177.584 0.018 0.000 1.053 100 A CA 1.501 53.553 52.037 0.026 0.000 0.755 100 A CB 0.315 19.327 19.000 0.021 0.000 0.980 100 A HN 1.433 nan 8.150 nan 0.000 0.506 101 K N 2.313 122.714 120.400 0.002 0.000 2.063 101 K HA -0.122 4.198 4.320 -0.000 0.000 0.208 101 K C -1.001 175.595 176.600 -0.007 0.000 1.048 101 K CA 2.009 58.291 56.287 -0.009 0.000 0.928 101 K CB -0.739 31.752 32.500 -0.015 0.000 0.713 101 K HN 0.566 nan 8.250 nan 0.000 0.442 102 P HA -0.137 nan 4.420 nan 0.000 0.218 102 P C 1.142 178.442 177.300 -0.000 0.000 1.149 102 P CA 0.754 63.850 63.100 -0.006 0.000 0.817 102 P CB 0.077 31.774 31.700 -0.006 0.000 0.785 103 L N -0.295 120.936 121.223 0.014 0.000 2.072 103 L HA -0.032 4.308 4.340 -0.000 0.000 0.205 103 L C 2.266 179.152 176.870 0.027 0.000 1.079 103 L CA 1.729 56.588 54.840 0.032 0.000 0.752 103 L CB -0.821 41.276 42.059 0.063 0.000 0.906 103 L HN -0.229 nan 8.230 nan 0.000 0.436 104 R N -0.411 120.102 120.500 0.022 0.000 2.091 104 R HA -0.128 4.212 4.340 -0.000 0.000 0.238 104 R C 2.236 178.527 176.300 -0.015 0.000 1.136 104 R CA 1.340 57.441 56.100 0.002 0.000 0.959 104 R CB -0.701 29.587 30.300 -0.020 0.000 0.856 104 R HN 0.524 nan 8.270 nan 0.000 0.437 105 A N 1.269 124.078 122.820 -0.017 0.000 1.902 105 A HA -0.102 4.218 4.320 -0.000 0.000 0.217 105 A C 2.384 179.952 177.584 -0.026 0.000 1.181 105 A CA 1.653 53.677 52.037 -0.021 0.000 0.623 105 A CB -0.614 18.373 19.000 -0.023 0.000 0.818 105 A HN 0.398 nan 8.150 nan 0.000 0.443 106 A N -0.150 122.653 122.820 -0.029 0.000 1.902 106 A HA -0.068 4.252 4.320 -0.000 0.000 0.217 106 A C 2.124 179.662 177.584 -0.077 0.000 1.181 106 A CA 1.511 53.517 52.037 -0.050 0.000 0.623 106 A CB -0.586 18.395 19.000 -0.033 0.000 0.818 106 A HN 0.493 nan 8.150 nan 0.000 0.443 107 I N -0.286 120.251 120.570 -0.056 0.000 2.179 107 I HA -0.278 3.892 4.170 -0.000 0.000 0.242 107 I C 3.000 179.153 176.117 0.059 0.000 1.088 107 I CA 1.066 62.314 61.300 -0.088 0.000 1.357 107 I CB -0.342 37.460 38.000 -0.330 0.000 1.051 107 I HN 0.355 nan 8.210 nan 0.000 0.409 108 A N 1.699 124.567 122.820 0.080 0.000 1.908 108 A HA -0.269 4.051 4.320 -0.000 0.000 0.218 108 A C 2.337 180.000 177.584 0.132 0.000 1.181 108 A CA 2.354 54.499 52.037 0.180 0.000 0.627 108 A CB -0.617 18.418 19.000 0.058 0.000 0.818 108 A HN 0.569 nan 8.150 nan 0.000 0.445 109 K N -1.671 118.734 120.400 0.010 0.000 2.076 109 K HA -0.028 4.292 4.320 -0.000 0.000 0.204 109 K C 1.791 178.318 176.600 -0.122 0.000 1.051 109 K CA 1.658 57.923 56.287 -0.036 0.000 0.949 109 K CB -0.752 31.716 32.500 -0.053 0.000 0.726 109 K HN 0.234 nan 8.250 nan 0.000 0.443 110 T N 0.748 115.153 114.554 -0.249 0.000 2.737 110 T HA -0.044 4.306 4.350 -0.000 0.000 0.265 110 T C 1.226 175.564 174.700 -0.604 0.000 1.038 110 T CA 1.410 63.208 62.100 -0.504 0.000 1.144 110 T CB -0.205 68.185 68.868 -0.797 0.000 0.866 110 T HN 0.195 nan 8.240 nan 0.000 0.434 111 F N -0.937 118.837 119.950 -0.292 0.000 2.714 111 F HA 0.301 4.828 4.527 -0.000 0.000 0.294 111 F C 0.778 176.143 175.800 -0.726 0.000 1.120 111 F CA -0.296 57.366 58.000 -0.562 0.000 1.398 111 F CB 0.155 38.675 39.000 -0.800 0.000 1.120 111 F HN 0.167 nan 8.300 nan 0.000 0.589 112 Y N -0.804 119.608 120.300 0.186 0.000 2.738 112 Y HA 0.417 4.967 4.550 -0.000 0.000 0.249 112 Y C 1.245 177.182 175.900 0.062 0.000 1.157 112 Y CA -1.262 56.930 58.100 0.153 0.000 1.189 112 Y CB -0.284 38.270 38.460 0.157 0.000 1.262 112 Y HN -0.122 nan 8.280 nan 0.000 0.554 113 G N 0.306 109.163 108.800 0.096 0.000 2.313 113 G HA2 0.362 4.322 3.960 -0.000 0.000 0.250 113 G HA3 0.362 4.322 3.960 -0.000 0.000 0.250 113 G C 1.100 176.032 174.900 0.053 0.000 1.281 113 G CA 0.597 45.725 45.100 0.047 0.000 0.917 113 G HN 0.761 nan 8.290 nan 0.000 0.501 114 G N 1.249 110.075 108.800 0.044 0.000 2.176 114 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.253 114 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.253 114 G C 0.945 175.879 174.900 0.057 0.000 0.979 114 G CA 0.451 45.574 45.100 0.039 0.000 0.641 114 G HN 0.807 nan 8.290 nan 0.000 0.530 115 L N 0.352 121.628 121.223 0.088 0.000 2.667 115 L HA 0.458 4.798 4.340 -0.000 0.000 0.232 115 L C 1.919 178.801 176.870 0.019 0.000 1.138 115 L CA 0.444 55.345 54.840 0.101 0.000 0.921 115 L CB 0.078 42.271 42.059 0.223 0.000 1.180 115 L HN 0.939 nan 8.230 nan 0.000 0.487 116 G N 1.307 110.103 108.800 -0.005 0.000 2.198 116 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.257 116 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.257 116 G C 0.011 174.840 174.900 -0.118 0.000 1.042 116 G CA -0.260 44.809 45.100 -0.053 0.000 0.791 116 G HN 0.172 nan 8.290 nan 0.000 0.502 117 I N 1.258 121.761 120.570 -0.112 0.000 2.321 117 I HA 0.535 4.704 4.170 -0.000 0.000 0.291 117 I C 1.162 177.222 176.117 -0.095 0.000 0.998 117 I CA -0.416 60.775 61.300 -0.181 0.000 1.227 117 I CB 0.799 38.650 38.000 -0.249 0.000 1.368 117 I HN 0.157 nan 8.210 nan 0.000 0.466 118 G N 4.030 112.764 108.800 -0.109 0.000 2.477 118 G HA2 0.275 4.235 3.960 -0.000 0.000 0.304 118 G HA3 0.275 4.235 3.960 -0.000 0.000 0.304 118 G C 0.450 175.302 174.900 -0.079 0.000 1.175 118 G CA -0.349 44.704 45.100 -0.077 0.000 0.907 118 G HN 0.590 nan 8.290 nan 0.000 0.509 119 D N 0.190 120.551 120.400 -0.064 0.000 2.182 119 D HA -0.128 4.512 4.640 -0.000 0.000 0.201 119 D C 1.931 178.162 176.300 -0.116 0.000 0.986 119 D CA 1.476 55.435 54.000 -0.069 0.000 0.847 119 D CB 0.065 40.833 40.800 -0.054 0.000 0.942 119 D HN 0.598 nan 8.370 nan 0.000 0.467 120 D N 0.136 120.461 120.400 -0.125 0.000 2.363 120 D HA -0.105 4.535 4.640 -0.000 0.000 0.220 120 D C 0.699 176.847 176.300 -0.253 0.000 0.994 120 D CA 0.405 54.297 54.000 -0.180 0.000 0.890 120 D CB -0.184 40.546 40.800 -0.116 0.000 0.906 120 D HN 0.066 nan 8.370 nan 0.000 0.530 121 D N 0.234 120.526 120.400 -0.180 0.000 2.349 121 D HA 0.043 4.683 4.640 -0.000 0.000 0.215 121 D C 0.272 176.525 176.300 -0.078 0.000 1.016 121 D CA 0.105 54.039 54.000 -0.109 0.000 0.870 121 D CB 0.982 41.710 40.800 -0.119 0.000 0.917 121 D HN 0.114 nan 8.370 nan 0.000 0.524 122 V N 1.393 121.202 119.914 -0.175 0.000 2.439 122 V HA 0.288 4.408 4.120 -0.000 0.000 0.282 122 V C -0.481 175.536 176.094 -0.129 0.000 1.039 122 V CA -0.566 61.738 62.300 0.007 0.000 0.913 122 V CB 1.088 32.923 31.823 0.021 0.000 0.983 122 V HN -0.138 nan 8.190 nan 0.000 0.460 123 F N 3.262 123.389 119.950 0.295 0.000 2.445 123 F HA 0.492 5.019 4.527 -0.000 0.000 0.348 123 F C 0.097 176.133 175.800 0.394 0.000 1.125 123 F CA -0.811 57.392 58.000 0.339 0.000 0.983 123 F CB 1.696 40.975 39.000 0.466 0.000 1.198 123 F HN 0.172 nan 8.300 nan 0.000 0.436 124 V N 3.428 123.632 119.914 0.483 0.000 2.508 124 V HA 0.398 4.518 4.120 -0.000 0.000 0.281 124 V C 0.236 176.636 176.094 0.509 0.000 1.041 124 V CA -0.249 62.340 62.300 0.483 0.000 1.016 124 V CB 0.919 32.962 31.823 0.367 0.000 0.984 124 V HN 0.861 nan 8.190 nan 0.000 0.478 125 S N 2.285 118.258 115.700 0.455 0.000 2.726 125 S HA 0.447 4.917 4.470 -0.000 0.000 0.308 125 S C 0.178 174.998 174.600 0.365 0.000 1.115 125 S CA -0.541 57.858 58.200 0.332 0.000 0.965 125 S CB 1.816 65.107 63.200 0.151 0.000 1.145 125 S HN 0.783 nan 8.310 nan 0.000 0.532 126 D N -0.580 120.007 120.400 0.311 0.000 2.352 126 D HA 0.390 5.029 4.640 -0.000 0.000 0.236 126 D C 0.699 177.095 176.300 0.159 0.000 1.148 126 D CA 0.223 54.383 54.000 0.268 0.000 0.844 126 D CB -0.562 40.417 40.800 0.299 0.000 0.933 126 D HN 1.164 nan 8.370 nan 0.000 0.507 127 G N -1.292 107.585 108.800 0.128 0.000 2.335 127 G HA2 0.248 4.207 3.960 -0.000 0.000 0.592 127 G HA3 0.248 4.207 3.960 -0.000 0.000 0.592 127 G C 0.442 175.341 174.900 -0.001 0.000 1.442 127 G CA -0.244 44.894 45.100 0.063 0.000 0.976 127 G HN 0.282 nan 8.290 nan 0.000 0.652 128 A N 0.471 123.253 122.820 -0.064 0.000 1.930 128 A HA 0.050 4.370 4.320 -0.000 0.000 0.217 128 A C 2.210 179.802 177.584 0.014 0.000 1.175 128 A CA 2.413 54.404 52.037 -0.077 0.000 0.627 128 A CB -0.397 18.495 19.000 -0.179 0.000 0.815 128 A HN 0.984 nan 8.150 nan 0.000 0.443 129 K N -0.445 119.977 120.400 0.037 0.000 2.063 129 K HA -0.198 4.121 4.320 -0.000 0.000 0.208 129 K C 1.942 178.564 176.600 0.038 0.000 1.048 129 K CA 1.893 58.239 56.287 0.098 0.000 0.928 129 K CB -0.441 32.124 32.500 0.108 0.000 0.713 129 K HN 0.580 nan 8.250 nan 0.000 0.442 130 C N 1.066 120.368 119.300 0.004 0.000 2.466 130 C HA -0.037 4.423 4.460 -0.000 0.000 0.278 130 C C 2.166 177.133 174.990 -0.038 0.000 1.288 130 C CA 0.419 59.414 59.018 -0.039 0.000 1.722 130 C CB -0.760 26.936 27.740 -0.073 0.000 2.017 130 C HN 0.544 nan 8.230 nan 0.000 0.488 131 D N 1.067 121.462 120.400 -0.008 0.000 2.144 131 D HA -0.064 4.576 4.640 -0.000 0.000 0.199 131 D C 1.912 178.256 176.300 0.074 0.000 0.984 131 D CA 1.000 55.029 54.000 0.048 0.000 0.834 131 D CB -0.371 40.456 40.800 0.045 0.000 0.955 131 D HN 0.453 nan 8.370 nan 0.000 0.465 132 I N 0.475 121.108 120.570 0.105 0.000 2.151 132 I HA -0.288 3.881 4.170 -0.000 0.000 0.243 132 I C 2.342 178.543 176.117 0.140 0.000 1.080 132 I CA 1.007 62.421 61.300 0.190 0.000 1.339 132 I CB -0.120 38.032 38.000 0.254 0.000 1.039 132 I HN -0.103 nan 8.210 nan 0.000 0.409 133 S N -0.131 115.607 115.700 0.063 0.000 2.406 133 S HA -0.058 4.412 4.470 -0.000 0.000 0.228 133 S C 2.032 176.654 174.600 0.037 0.000 1.020 133 S CA 0.852 59.070 58.200 0.031 0.000 0.965 133 S CB -0.142 63.043 63.200 -0.024 0.000 0.798 133 S HN 0.338 nan 8.310 nan 0.000 0.488 134 R N 0.672 121.195 120.500 0.039 0.000 2.092 134 R HA 0.083 4.423 4.340 -0.000 0.000 0.231 134 R C 2.110 178.477 176.300 0.112 0.000 1.119 134 R CA 0.840 56.970 56.100 0.050 0.000 0.970 134 R CB -0.450 29.851 30.300 0.002 0.000 0.864 134 R HN 0.352 nan 8.270 nan 0.000 0.440 135 L N 0.737 122.021 121.223 0.101 0.000 2.083 135 L HA -0.224 4.116 4.340 -0.000 0.000 0.209 135 L C 2.607 179.358 176.870 -0.199 0.000 1.083 135 L CA 1.245 55.979 54.840 -0.176 0.000 0.752 135 L CB -0.375 41.546 42.059 -0.231 0.000 0.899 135 L HN 0.214 nan 8.230 nan 0.000 0.433 136 Q N -0.552 119.308 119.800 0.101 0.000 2.119 136 Q HA -0.127 4.213 4.340 -0.000 0.000 0.201 136 Q C 2.439 178.519 176.000 0.134 0.000 0.972 136 Q CA 1.254 57.196 55.803 0.230 0.000 0.847 136 Q CB -0.288 28.575 28.738 0.208 0.000 0.903 136 Q HN 0.400 nan 8.270 nan 0.000 0.433 137 V N 1.512 121.462 119.914 0.060 0.000 2.332 137 V HA -0.288 3.832 4.120 -0.000 0.000 0.248 137 V C 2.406 178.520 176.094 0.032 0.000 1.055 137 V CA 1.886 64.208 62.300 0.037 0.000 1.038 137 V CB -0.620 31.209 31.823 0.010 0.000 0.651 137 V HN 0.385 nan 8.190 nan 0.000 0.450 138 M N -0.795 118.797 119.600 -0.012 0.000 2.086 138 M HA -0.187 4.293 4.480 -0.000 0.000 0.261 138 M C 2.157 178.486 176.300 0.048 0.000 1.067 138 M CA 2.214 57.499 55.300 -0.025 0.000 1.116 138 M CB -0.235 32.314 32.600 -0.086 0.000 1.348 138 M HN 0.315 nan 8.290 nan 0.000 0.407 139 F N 0.922 120.957 119.950 0.142 0.000 2.171 139 F HA 0.124 4.651 4.527 -0.000 0.000 0.300 139 F C 1.923 177.762 175.800 0.066 0.000 1.090 139 F CA 1.121 59.200 58.000 0.131 0.000 1.293 139 F CB -1.439 37.636 39.000 0.125 0.000 1.013 139 F HN 0.426 nan 8.300 nan 0.000 0.486 140 G N -0.401 108.541 108.800 0.236 0.000 2.725 140 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.220 140 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.220 140 G C 0.815 175.781 174.900 0.110 0.000 1.357 140 G CA 0.117 45.292 45.100 0.125 0.000 0.866 140 G HN 0.574 nan 8.290 nan 0.000 0.548 141 S N -1.104 114.633 115.700 0.061 0.000 2.496 141 S HA 0.022 4.492 4.470 -0.000 0.000 0.224 141 S C 1.374 175.997 174.600 0.037 0.000 0.996 141 S CA 1.369 59.596 58.200 0.045 0.000 0.927 141 S CB -0.086 63.130 63.200 0.025 0.000 0.774 141 S HN 0.689 nan 8.310 nan 0.000 0.524 142 N N 1.302 120.022 118.700 0.034 0.000 2.280 142 N HA 0.186 4.926 4.740 -0.000 0.000 0.192 142 N C 0.116 175.635 175.510 0.016 0.000 1.109 142 N CA 0.069 53.129 53.050 0.017 0.000 0.855 142 N CB 0.886 39.374 38.487 0.001 0.000 0.974 142 N HN 0.478 nan 8.380 nan 0.000 0.482 143 V N -1.017 118.913 119.914 0.028 0.000 2.863 143 V HA 0.552 4.672 4.120 -0.000 0.000 0.307 143 V C 0.493 176.588 176.094 0.002 0.000 1.061 143 V CA -0.806 61.494 62.300 0.000 0.000 1.024 143 V CB 1.347 33.149 31.823 -0.035 0.000 1.049 143 V HN 0.049 nan 8.190 nan 0.000 0.471 144 T N 2.058 116.602 114.554 -0.017 0.000 2.895 144 T HA 0.783 5.133 4.350 -0.000 0.000 0.283 144 T C -0.290 174.405 174.700 -0.008 0.000 1.014 144 T CA -0.458 61.642 62.100 -0.000 0.000 1.037 144 T CB 1.502 70.372 68.868 0.003 0.000 1.006 144 T HN 1.335 nan 8.240 nan 0.000 0.468 145 I N -0.680 119.906 120.570 0.026 0.000 2.740 145 I HA 0.919 5.089 4.170 -0.000 0.000 0.303 145 I C -0.683 175.461 176.117 0.046 0.000 1.044 145 I CA -1.614 59.723 61.300 0.062 0.000 1.064 145 I CB 1.843 39.962 38.000 0.198 0.000 1.249 145 I HN 0.895 nan 8.210 nan 0.000 0.433 146 A N 4.799 127.661 122.820 0.070 0.000 2.350 146 A HA 0.874 5.194 4.320 -0.000 0.000 0.324 146 A C -0.552 177.081 177.584 0.082 0.000 1.118 146 A CA -0.455 51.611 52.037 0.049 0.000 0.783 146 A CB 1.611 20.655 19.000 0.074 0.000 1.236 146 A HN 1.305 nan 8.150 nan 0.000 0.457 147 V N -0.109 119.804 119.914 -0.002 0.000 3.078 147 V HA 0.616 4.736 4.120 -0.000 0.000 0.311 147 V C -0.514 175.592 176.094 0.021 0.000 1.138 147 V CA -1.025 61.292 62.300 0.029 0.000 1.007 147 V CB 1.204 33.014 31.823 -0.022 0.000 1.045 147 V HN 0.946 nan 8.190 nan 0.000 0.432 148 Q N 1.282 121.093 119.800 0.018 0.000 2.392 148 Q HA 0.362 4.702 4.340 -0.000 0.000 0.262 148 Q C -0.923 175.105 176.000 0.048 0.000 1.003 148 Q CA 0.468 56.256 55.803 -0.024 0.000 0.888 148 Q CB 0.627 29.271 28.738 -0.158 0.000 1.260 148 Q HN 0.865 nan 8.270 nan 0.000 0.435 149 D N 2.822 123.265 120.400 0.071 0.000 2.440 149 D HA 0.301 4.940 4.640 -0.000 0.000 0.252 149 D C -2.592 173.750 176.300 0.070 0.000 1.180 149 D CA -2.057 52.033 54.000 0.150 0.000 0.894 149 D CB 1.213 42.171 40.800 0.264 0.000 1.111 149 D HN 0.154 nan 8.370 nan 0.000 0.544 150 P HA 0.381 nan 4.420 nan 0.000 0.281 150 P C -0.942 176.320 177.300 -0.062 0.000 1.264 150 P CA -0.485 62.621 63.100 0.009 0.000 0.824 150 P CB 1.402 33.052 31.700 -0.083 0.000 1.092 151 S N -0.720 115.019 115.700 0.064 0.000 2.588 151 S HA 0.276 4.746 4.470 -0.000 0.000 0.269 151 S C -0.999 173.736 174.600 0.225 0.000 1.157 151 S CA -0.814 57.439 58.200 0.088 0.000 0.824 151 S CB 0.223 63.540 63.200 0.196 0.000 1.126 151 S HN 0.399 nan 8.310 nan 0.000 0.464 152 Y N 3.970 124.280 120.300 0.017 0.000 2.916 152 Y HA 0.162 4.712 4.550 -0.000 0.000 0.344 152 Y C -1.589 174.142 175.900 -0.281 0.000 1.282 152 Y CA -0.887 57.173 58.100 -0.066 0.000 1.604 152 Y CB 0.434 38.718 38.460 -0.293 0.000 1.207 152 Y HN 0.519 nan 8.280 nan 0.000 0.561 153 P HA -0.056 nan 4.420 nan 0.000 0.237 153 P C 0.913 177.954 177.300 -0.431 0.000 1.178 153 P CA 1.434 64.290 63.100 -0.406 0.000 0.766 153 P CB -0.025 31.407 31.700 -0.448 0.000 0.876 154 A N -0.515 121.821 122.820 -0.807 0.000 2.019 154 A HA -0.202 4.117 4.320 -0.000 0.000 0.219 154 A C 1.894 179.229 177.584 -0.414 0.000 1.164 154 A CA 1.197 52.897 52.037 -0.561 0.000 0.644 154 A CB -1.534 17.086 19.000 -0.634 0.000 0.805 154 A HN 0.080 nan 8.150 nan 0.000 0.449 155 Y N -0.420 119.658 120.300 -0.370 0.000 2.114 155 Y HA -0.124 4.426 4.550 -0.000 0.000 0.284 155 Y C 2.586 178.191 175.900 -0.493 0.000 1.143 155 Y CA 0.771 58.505 58.100 -0.610 0.000 1.135 155 Y CB -1.315 36.713 38.460 -0.720 0.000 0.980 155 Y HN 0.067 nan 8.280 nan 0.000 0.499 156 V N 0.416 120.225 119.914 -0.174 0.000 2.307 156 V HA -0.252 3.868 4.120 -0.000 0.000 0.245 156 V C 1.847 177.815 176.094 -0.209 0.000 1.045 156 V CA 2.243 64.454 62.300 -0.149 0.000 1.024 156 V CB -0.579 31.242 31.823 -0.003 0.000 0.651 156 V HN 0.303 nan 8.190 nan 0.000 0.449 157 D N 0.164 120.450 120.400 -0.191 0.000 2.144 157 D HA -0.116 4.524 4.640 -0.000 0.000 0.200 157 D C 2.420 178.596 176.300 -0.206 0.000 0.978 157 D CA 1.645 55.522 54.000 -0.206 0.000 0.833 157 D CB -0.302 40.425 40.800 -0.122 0.000 0.961 157 D HN 0.585 nan 8.370 nan 0.000 0.470 158 S N -0.478 115.107 115.700 -0.191 0.000 2.402 158 S HA -0.134 4.336 4.470 -0.000 0.000 0.229 158 S C 2.075 176.615 174.600 -0.101 0.000 1.021 158 S CA 1.370 59.488 58.200 -0.137 0.000 0.974 158 S CB -0.282 62.853 63.200 -0.108 0.000 0.800 158 S HN 0.107 nan 8.310 nan 0.000 0.484 159 S N 0.903 116.526 115.700 -0.128 0.000 2.368 159 S HA -0.063 4.407 4.470 -0.000 0.000 0.225 159 S C 1.847 176.383 174.600 -0.108 0.000 1.030 159 S CA 1.369 59.522 58.200 -0.080 0.000 0.999 159 S CB -0.701 62.444 63.200 -0.092 0.000 0.844 159 S HN 0.452 nan 8.310 nan 0.000 0.459 160 V N 1.986 121.773 119.914 -0.212 0.000 2.295 160 V HA -0.147 3.973 4.120 -0.000 0.000 0.246 160 V C 2.277 178.288 176.094 -0.139 0.000 1.049 160 V CA 1.944 64.094 62.300 -0.250 0.000 1.024 160 V CB -0.650 30.868 31.823 -0.509 0.000 0.648 160 V HN 0.505 nan 8.190 nan 0.000 0.447 161 I N -0.698 119.796 120.570 -0.127 0.000 2.264 161 I HA -0.257 3.913 4.170 -0.000 0.000 0.248 161 I C 2.317 178.408 176.117 -0.044 0.000 1.111 161 I CA 1.395 62.647 61.300 -0.080 0.000 1.382 161 I CB -0.265 37.684 38.000 -0.085 0.000 1.060 161 I HN 0.269 nan 8.210 nan 0.000 0.418 162 M N -0.087 119.495 119.600 -0.030 0.000 2.619 162 M HA 0.116 4.596 4.480 -0.000 0.000 0.251 162 M C 1.491 177.796 176.300 0.008 0.000 1.106 162 M CA 0.793 56.095 55.300 0.004 0.000 1.086 162 M CB -0.873 31.751 32.600 0.039 0.000 1.465 162 M HN 0.453 nan 8.290 nan 0.000 0.506 163 G N 0.737 109.533 108.800 -0.006 0.000 2.132 163 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.228 163 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.228 163 G C 0.598 175.506 174.900 0.013 0.000 1.000 163 G CA 0.270 45.372 45.100 0.003 0.000 0.693 163 G HN 0.519 nan 8.290 nan 0.000 0.515 164 Q N 0.004 119.812 119.800 0.012 0.000 2.444 164 Q HA 0.212 4.552 4.340 -0.000 0.000 0.206 164 Q C 1.381 177.396 176.000 0.026 0.000 0.948 164 Q CA 1.104 56.922 55.803 0.025 0.000 0.946 164 Q CB 0.394 29.155 28.738 0.037 0.000 1.027 164 Q HN 0.786 nan 8.270 nan 0.000 0.513 165 T N -4.335 110.234 114.554 0.024 0.000 2.887 165 T HA 0.693 5.043 4.350 -0.000 0.000 0.292 165 T C 0.345 175.094 174.700 0.081 0.000 1.087 165 T CA -0.503 61.631 62.100 0.057 0.000 1.009 165 T CB 1.859 70.754 68.868 0.045 0.000 1.203 165 T HN 0.069 nan 8.240 nan 0.000 0.518 166 G N -0.048 108.827 108.800 0.124 0.000 2.606 166 G HA2 0.541 4.501 3.960 -0.000 0.000 0.262 166 G HA3 0.541 4.501 3.960 -0.000 0.000 0.262 166 G C -0.452 174.574 174.900 0.211 0.000 1.394 166 G CA -0.707 44.471 45.100 0.130 0.000 1.044 166 G HN 0.777 nan 8.290 nan 0.000 0.553 167 Q N -1.006 118.902 119.800 0.180 0.000 2.396 167 Q HA 0.204 4.544 4.340 -0.000 0.000 0.221 167 Q C -0.910 175.241 176.000 0.252 0.000 1.025 167 Q CA -0.508 55.432 55.803 0.229 0.000 0.946 167 Q CB 1.346 30.164 28.738 0.134 0.000 1.224 167 Q HN 0.330 nan 8.270 nan 0.000 0.539 168 F N 2.416 122.388 119.950 0.036 0.000 2.504 168 F HA 0.043 4.570 4.527 -0.000 0.000 0.369 168 F C 0.463 176.168 175.800 -0.158 0.000 1.082 168 F CA -0.282 57.551 58.000 -0.279 0.000 1.216 168 F CB 0.398 39.117 39.000 -0.467 0.000 1.108 168 F HN 0.318 nan 8.300 nan 0.000 0.554 169 N N 3.860 122.156 118.700 -0.673 0.000 2.439 169 N HA 0.059 4.799 4.740 -0.000 0.000 0.249 169 N C 0.744 175.874 175.510 -0.633 0.000 1.003 169 N CA 0.204 52.979 53.050 -0.458 0.000 0.942 169 N CB 1.315 39.605 38.487 -0.327 0.000 1.115 169 N HN 0.774 nan 8.380 nan 0.000 0.505 170 T N 0.043 114.419 114.554 -0.297 0.000 3.055 170 T HA -0.018 4.332 4.350 -0.000 0.000 0.265 170 T C 0.897 175.507 174.700 -0.149 0.000 1.111 170 T CA 0.643 62.647 62.100 -0.160 0.000 1.118 170 T CB 0.119 68.999 68.868 0.020 0.000 0.909 170 T HN 0.271 nan 8.240 nan 0.000 0.501 171 D N 1.822 122.128 120.400 -0.157 0.000 2.117 171 D HA -0.067 4.572 4.640 -0.000 0.000 0.197 171 D C 2.196 178.410 176.300 -0.143 0.000 0.987 171 D CA 1.721 55.650 54.000 -0.118 0.000 0.829 171 D CB -0.099 40.641 40.800 -0.101 0.000 0.961 171 D HN 0.564 nan 8.370 nan 0.000 0.460 172 V N -3.242 116.537 119.914 -0.225 0.000 3.643 172 V HA 0.182 4.302 4.120 -0.000 0.000 0.280 172 V C 0.132 176.030 176.094 -0.328 0.000 1.351 172 V CA -0.243 61.916 62.300 -0.236 0.000 1.073 172 V CB 0.246 31.932 31.823 -0.229 0.000 0.863 172 V HN -0.033 nan 8.190 nan 0.000 0.436 173 Q N 0.586 120.111 119.800 -0.458 0.000 2.463 173 Q HA -0.186 4.154 4.340 -0.000 0.000 0.299 173 Q C -0.293 175.283 176.000 -0.707 0.000 1.353 173 Q CA 1.186 56.667 55.803 -0.537 0.000 0.828 173 Q CB -1.637 27.061 28.738 -0.066 0.000 1.157 173 Q HN 0.865 nan 8.270 nan 0.000 0.436 174 K N -0.070 119.727 120.400 -1.006 0.000 2.464 174 K HA 0.501 4.821 4.320 -0.000 0.000 0.253 174 K C -0.831 175.482 176.600 -0.479 0.000 0.933 174 K CA -0.755 55.136 56.287 -0.660 0.000 0.801 174 K CB 1.276 33.393 32.500 -0.639 0.000 1.271 174 K HN -0.062 nan 8.250 nan 0.000 0.430 175 Y N 0.376 120.794 120.300 0.196 0.000 2.359 175 Y HA 0.195 4.745 4.550 -0.000 0.000 0.330 175 Y C 1.358 177.361 175.900 0.171 0.000 1.143 175 Y CA 0.172 58.403 58.100 0.218 0.000 1.318 175 Y CB 0.842 39.476 38.460 0.289 0.000 1.234 175 Y HN 0.709 nan 8.280 nan 0.000 0.522 176 G N 1.890 110.832 108.800 0.237 0.000 2.491 176 G HA2 0.114 4.074 3.960 -0.000 0.000 0.238 176 G HA3 0.114 4.074 3.960 -0.000 0.000 0.238 176 G C 0.389 175.388 174.900 0.166 0.000 1.277 176 G CA 0.127 45.320 45.100 0.155 0.000 0.851 176 G HN 0.939 nan 8.290 nan 0.000 0.573 177 N N -1.462 117.315 118.700 0.127 0.000 2.965 177 N HA -0.195 4.545 4.740 -0.000 0.000 0.232 177 N C -0.016 175.549 175.510 0.092 0.000 0.913 177 N CA 1.021 54.128 53.050 0.095 0.000 0.981 177 N CB -1.434 37.098 38.487 0.075 0.000 1.077 177 N HN 0.539 nan 8.380 nan 0.000 0.589 178 I N 1.008 121.657 120.570 0.131 0.000 2.359 178 I HA 0.184 4.354 4.170 -0.000 0.000 0.294 178 I C 0.525 176.686 176.117 0.074 0.000 0.987 178 I CA -0.698 60.624 61.300 0.036 0.000 1.225 178 I CB 1.470 39.406 38.000 -0.106 0.000 1.366 178 I HN 0.077 nan 8.210 nan 0.000 0.466 179 E N 6.120 126.332 120.200 0.019 0.000 2.052 179 E HA 0.153 4.503 4.350 -0.000 0.000 0.283 179 E C -1.537 175.084 176.600 0.034 0.000 1.071 179 E CA -0.145 56.300 56.400 0.075 0.000 0.851 179 E CB 0.166 29.908 29.700 0.071 0.000 1.066 179 E HN 0.206 nan 8.360 nan 0.000 0.396 180 Y N 4.644 124.976 120.300 0.053 0.000 2.425 180 Y HA 0.218 4.768 4.550 -0.000 0.000 0.347 180 Y C 0.321 176.232 175.900 0.020 0.000 0.976 180 Y CA -0.450 57.678 58.100 0.048 0.000 1.190 180 Y CB 0.673 39.161 38.460 0.047 0.000 1.136 180 Y HN 0.375 nan 8.280 nan 0.000 0.517 181 M N 4.208 123.876 119.600 0.113 0.000 2.108 181 M HA 0.249 4.728 4.480 -0.000 0.000 0.347 181 M C 0.095 176.409 176.300 0.023 0.000 1.326 181 M CA -0.363 54.953 55.300 0.026 0.000 1.126 181 M CB 0.463 33.038 32.600 -0.042 0.000 1.606 181 M HN 0.440 nan 8.290 nan 0.000 0.462 182 R N 2.471 122.979 120.500 0.013 0.000 2.421 182 R HA 0.198 4.537 4.340 -0.000 0.000 0.305 182 R C -1.493 174.795 176.300 -0.021 0.000 1.039 182 R CA 0.280 56.387 56.100 0.013 0.000 1.003 182 R CB 0.096 30.399 30.300 0.006 0.000 0.959 182 R HN 0.741 nan 8.270 nan 0.000 0.427 183 C N 3.975 123.278 119.300 0.006 0.000 2.322 183 C HA 0.653 5.113 4.460 -0.000 0.000 0.324 183 C C -0.166 174.833 174.990 0.015 0.000 1.249 183 C CA -0.629 58.402 59.018 0.021 0.000 1.453 183 C CB 0.699 28.485 27.740 0.077 0.000 2.145 183 C HN 0.929 nan 8.230 nan 0.000 0.466 184 T N 0.446 114.854 114.554 -0.243 0.000 2.883 184 T HA 0.501 4.851 4.350 -0.000 0.000 0.296 184 T C -2.431 171.573 174.700 -1.161 0.000 1.117 184 T CA -1.573 60.249 62.100 -0.463 0.000 1.006 184 T CB 1.919 70.647 68.868 -0.234 0.000 1.191 184 T HN 0.129 nan 8.240 nan 0.000 0.508 185 P HA -0.175 nan 4.420 nan 0.000 0.216 185 P C 1.545 178.513 177.300 -0.554 0.000 1.154 185 P CA 1.302 63.735 63.100 -1.112 0.000 0.865 185 P CB 0.074 31.392 31.700 -0.637 0.000 0.789 186 E N -0.141 119.851 120.200 -0.347 0.000 2.204 186 E HA -0.162 4.188 4.350 -0.000 0.000 0.194 186 E C 0.949 177.454 176.600 -0.158 0.000 0.989 186 E CA 1.227 57.517 56.400 -0.182 0.000 0.824 186 E CB -1.254 28.378 29.700 -0.114 0.000 0.756 186 E HN 0.465 nan 8.360 nan 0.000 0.477 187 N N 0.201 118.777 118.700 -0.208 0.000 2.235 187 N HA 0.116 4.856 4.740 -0.000 0.000 0.209 187 N C 1.060 176.521 175.510 -0.081 0.000 1.122 187 N CA 0.424 53.409 53.050 -0.107 0.000 0.845 187 N CB 0.481 38.930 38.487 -0.062 0.000 1.004 187 N HN 0.189 nan 8.380 nan 0.000 0.499 188 G N 0.001 108.682 108.800 -0.198 0.000 2.179 188 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.257 188 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.257 188 G C 0.087 175.026 174.900 0.065 0.000 1.010 188 G CA 0.080 45.132 45.100 -0.081 0.000 0.736 188 G HN 0.347 nan 8.290 nan 0.000 0.513 189 F N -3.366 116.585 119.950 0.001 0.000 3.057 189 F HA -0.162 4.365 4.527 -0.000 0.000 0.287 189 F C 0.569 176.415 175.800 0.076 0.000 0.834 189 F CA 1.211 59.192 58.000 -0.033 0.000 1.147 189 F CB -2.029 36.907 39.000 -0.108 0.000 1.245 189 F HN 0.596 nan 8.300 nan 0.000 0.509 190 F N 3.237 123.232 119.950 0.076 0.000 2.507 190 F HA 0.692 5.219 4.527 -0.000 0.000 0.325 190 F C -2.399 173.424 175.800 0.039 0.000 1.116 190 F CA -2.735 55.325 58.000 0.099 0.000 0.930 190 F CB 1.575 40.640 39.000 0.108 0.000 1.146 190 F HN -0.297 nan 8.300 nan 0.000 0.447 191 P HA 0.051 nan 4.420 nan 0.000 0.274 191 P C -1.065 176.055 177.300 -0.300 0.000 1.231 191 P CA -0.153 62.727 63.100 -0.367 0.000 0.790 191 P CB 0.815 32.282 31.700 -0.388 0.000 0.951 192 D N 1.826 122.139 120.400 -0.146 0.000 2.359 192 D HA 0.056 4.696 4.640 -0.000 0.000 0.250 192 D C 1.191 177.403 176.300 -0.146 0.000 1.264 192 D CA 0.001 53.951 54.000 -0.083 0.000 0.911 192 D CB -0.195 40.583 40.800 -0.036 0.000 1.056 192 D HN 0.212 nan 8.370 nan 0.000 0.499 193 L N 2.707 123.810 121.223 -0.200 0.000 2.362 193 L HA -0.155 4.185 4.340 -0.000 0.000 0.219 193 L C 2.377 179.179 176.870 -0.113 0.000 1.134 193 L CA 0.897 55.516 54.840 -0.367 0.000 0.807 193 L CB -0.376 41.358 42.059 -0.542 0.000 0.927 193 L HN 0.393 nan 8.230 nan 0.000 0.447 194 S N -1.397 114.297 115.700 -0.011 0.000 2.474 194 S HA -0.148 4.321 4.470 -0.000 0.000 0.235 194 S C 1.825 176.454 174.600 0.049 0.000 0.997 194 S CA 1.271 59.504 58.200 0.055 0.000 0.949 194 S CB -0.583 62.642 63.200 0.042 0.000 0.766 194 S HN 0.564 nan 8.310 nan 0.000 0.517 195 T N -1.143 113.417 114.554 0.010 0.000 3.069 195 T HA 0.383 4.733 4.350 -0.000 0.000 0.252 195 T C 0.224 174.940 174.700 0.028 0.000 1.053 195 T CA -0.314 61.796 62.100 0.016 0.000 0.964 195 T CB -0.096 68.769 68.868 -0.004 0.000 1.005 195 T HN 0.141 nan 8.240 nan 0.000 0.532 196 V N 2.196 122.129 119.914 0.031 0.000 2.407 196 V HA 0.673 4.793 4.120 -0.000 0.000 0.278 196 V C 1.206 177.427 176.094 0.212 0.000 1.037 196 V CA -0.914 61.426 62.300 0.067 0.000 0.900 196 V CB 0.892 32.661 31.823 -0.089 0.000 0.983 196 V HN 0.559 nan 8.190 nan 0.000 0.459 197 G N 3.817 112.708 108.800 0.152 0.000 2.527 197 G HA2 0.252 4.212 3.960 -0.000 0.000 0.248 197 G HA3 0.252 4.212 3.960 -0.000 0.000 0.248 197 G C 0.077 175.066 174.900 0.149 0.000 1.231 197 G CA -0.442 44.736 45.100 0.130 0.000 0.838 197 G HN 0.606 nan 8.290 nan 0.000 0.570 198 R N 0.105 120.640 120.500 0.057 0.000 2.537 198 R HA 0.223 4.563 4.340 -0.000 0.000 0.280 198 R C 0.202 176.502 176.300 0.001 0.000 1.058 198 R CA 0.537 56.623 56.100 -0.023 0.000 1.057 198 R CB 0.130 30.379 30.300 -0.085 0.000 0.973 198 R HN 0.715 nan 8.270 nan 0.000 0.438 199 T N -0.869 113.679 114.554 -0.011 0.000 2.865 199 T HA 0.254 4.604 4.350 -0.000 0.000 0.294 199 T C 0.463 175.126 174.700 -0.063 0.000 1.119 199 T CA -0.959 61.131 62.100 -0.017 0.000 1.007 199 T CB 1.604 70.478 68.868 0.010 0.000 1.225 199 T HN 0.421 nan 8.240 nan 0.000 0.515 200 D N -0.001 120.351 120.400 -0.080 0.000 2.103 200 D HA 0.072 4.712 4.640 -0.000 0.000 0.199 200 D C 0.679 176.854 176.300 -0.209 0.000 0.978 200 D CA 1.174 55.098 54.000 -0.126 0.000 0.829 200 D CB 0.190 40.915 40.800 -0.125 0.000 0.981 200 D HN 0.415 nan 8.370 nan 0.000 0.464 201 I N 1.094 121.517 120.570 -0.245 0.000 2.530 201 I HA 0.363 4.533 4.170 -0.000 0.000 0.297 201 I C 0.028 176.010 176.117 -0.225 0.000 1.011 201 I CA -0.719 60.352 61.300 -0.383 0.000 1.107 201 I CB 1.982 39.621 38.000 -0.602 0.000 1.285 201 I HN -0.188 nan 8.210 nan 0.000 0.436 202 I N 5.073 125.490 120.570 -0.255 0.000 2.411 202 I HA 0.303 4.473 4.170 -0.000 0.000 0.284 202 I C -0.832 175.159 176.117 -0.210 0.000 1.012 202 I CA -0.403 60.838 61.300 -0.098 0.000 1.119 202 I CB 1.215 39.227 38.000 0.020 0.000 1.261 202 I HN 0.242 nan 8.210 nan 0.000 0.448 203 F N 6.392 126.278 119.950 -0.108 0.000 2.445 203 F HA 0.367 4.894 4.527 -0.000 0.000 0.359 203 F C -0.206 175.499 175.800 -0.159 0.000 1.101 203 F CA -0.114 57.720 58.000 -0.276 0.000 1.177 203 F CB 0.660 39.296 39.000 -0.607 0.000 1.110 203 F HN 0.278 nan 8.300 nan 0.000 0.522 204 F N 4.388 124.249 119.950 -0.147 0.000 2.562 204 F HA 0.467 4.994 4.527 -0.000 0.000 0.319 204 F C -1.032 174.654 175.800 -0.190 0.000 1.154 204 F CA -1.110 56.839 58.000 -0.085 0.000 0.931 204 F CB 0.932 39.950 39.000 0.031 0.000 1.198 204 F HN 0.473 nan 8.300 nan 0.000 0.444 205 C N 4.950 123.960 119.300 -0.483 0.000 2.303 205 C HA 0.840 5.300 4.460 -0.000 0.000 0.326 205 C C -0.632 174.101 174.990 -0.428 0.000 1.285 205 C CA -0.092 58.720 59.018 -0.345 0.000 1.675 205 C CB 0.021 27.721 27.740 -0.066 0.000 2.289 205 C HN 0.808 nan 8.230 nan 0.000 0.512 206 S N 6.643 122.143 115.700 -0.333 0.000 2.668 206 S HA 0.580 5.050 4.470 -0.000 0.000 0.277 206 S C -2.963 171.630 174.600 -0.011 0.000 1.170 206 S CA -0.656 57.486 58.200 -0.096 0.000 0.994 206 S CB 1.534 64.854 63.200 0.200 0.000 1.051 206 S HN 0.681 nan 8.310 nan 0.000 0.484 207 P HA 0.123 nan 4.420 nan 0.000 0.265 207 P C -0.595 176.675 177.300 -0.050 0.000 1.193 207 P CA -0.013 63.089 63.100 0.002 0.000 0.765 207 P CB 0.206 31.904 31.700 -0.004 0.000 0.823 208 N N 2.697 121.306 118.700 -0.152 0.000 2.518 208 N HA 0.038 4.778 4.740 -0.000 0.000 0.266 208 N C -0.225 175.150 175.510 -0.226 0.000 1.196 208 N CA -0.168 52.742 53.050 -0.234 0.000 0.947 208 N CB 0.144 38.422 38.487 -0.348 0.000 1.098 208 N HN 0.241 nan 8.380 nan 0.000 0.450 209 N N 3.116 121.658 118.700 -0.263 0.000 2.424 209 N HA 0.392 5.132 4.740 -0.000 0.000 0.271 209 N C -2.345 172.767 175.510 -0.663 0.000 0.985 209 N CA -2.212 50.505 53.050 -0.555 0.000 0.921 209 N CB 1.723 39.965 38.487 -0.408 0.000 1.149 209 N HN 0.438 nan 8.380 nan 0.000 0.492 210 P HA 0.129 nan 4.420 nan 0.000 0.282 210 P C 0.621 177.133 177.300 -1.313 0.000 1.327 210 P CA 0.247 62.427 63.100 -1.533 0.000 0.949 210 P CB 0.323 30.656 31.700 -2.278 0.000 1.445 211 T N -4.402 109.356 114.554 -1.326 0.000 3.023 211 T HA 0.191 4.541 4.350 -0.000 0.000 0.266 211 T C 1.710 175.980 174.700 -0.716 0.000 1.093 211 T CA 1.245 62.472 62.100 -1.454 0.000 1.129 211 T CB -1.126 66.724 68.868 -1.697 0.000 0.899 211 T HN 0.175 nan 8.240 nan 0.000 0.491 212 G N 1.379 109.949 108.800 -0.382 0.000 2.179 212 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.260 212 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.260 212 G C 0.336 175.077 174.900 -0.265 0.000 0.977 212 G CA 0.031 44.927 45.100 -0.339 0.000 0.641 212 G HN 1.309 nan 8.290 nan 0.000 0.533 213 A N 0.233 122.882 122.820 -0.285 0.000 2.492 213 A HA 0.727 5.047 4.320 -0.000 0.000 0.254 213 A C 0.761 178.326 177.584 -0.031 0.000 1.091 213 A CA 1.119 53.091 52.037 -0.108 0.000 0.768 213 A CB 0.419 19.398 19.000 -0.034 0.000 1.028 213 A HN 2.057 nan 8.150 nan 0.000 0.498 214 A N 2.900 125.738 122.820 0.030 0.000 2.260 214 A HA 0.660 4.980 4.320 -0.000 0.000 0.314 214 A C 0.650 178.310 177.584 0.127 0.000 1.257 214 A CA 0.080 52.166 52.037 0.081 0.000 0.871 214 A CB 0.229 19.271 19.000 0.071 0.000 1.166 214 A HN 2.045 nan 8.150 nan 0.000 0.522 215 A N 2.876 125.824 122.820 0.214 0.000 2.511 215 A HA 0.509 4.829 4.320 -0.000 0.000 0.242 215 A C 1.075 178.694 177.584 0.059 0.000 1.069 215 A CA 0.537 52.681 52.037 0.178 0.000 0.763 215 A CB -0.404 18.814 19.000 0.363 0.000 1.001 215 A HN 1.484 nan 8.150 nan 0.000 0.498 216 T N 0.102 114.622 114.554 -0.056 0.000 2.788 216 T HA 0.247 4.597 4.350 -0.000 0.000 0.287 216 T C 1.257 175.912 174.700 -0.075 0.000 1.007 216 T CA 0.033 62.099 62.100 -0.057 0.000 1.005 216 T CB 0.613 69.429 68.868 -0.086 0.000 1.012 216 T HN 0.710 nan 8.240 nan 0.000 0.530 217 R N 0.233 120.703 120.500 -0.049 0.000 2.091 217 R HA -0.148 4.192 4.340 -0.000 0.000 0.238 217 R C 2.099 178.348 176.300 -0.084 0.000 1.136 217 R CA 1.882 57.951 56.100 -0.052 0.000 0.959 217 R CB -0.351 29.931 30.300 -0.029 0.000 0.856 217 R HN 0.769 nan 8.270 nan 0.000 0.437 218 E N 0.421 120.562 120.200 -0.099 0.000 2.051 218 E HA -0.203 4.147 4.350 -0.000 0.000 0.192 218 E C 2.065 178.553 176.600 -0.186 0.000 0.991 218 E CA 1.501 57.833 56.400 -0.114 0.000 0.799 218 E CB -0.128 29.511 29.700 -0.101 0.000 0.748 218 E HN 0.453 nan 8.360 nan 0.000 0.449 219 Q N -0.102 119.502 119.800 -0.327 0.000 2.079 219 Q HA -0.041 4.298 4.340 -0.000 0.000 0.200 219 Q C 2.269 178.051 176.000 -0.364 0.000 0.974 219 Q CA 0.950 56.354 55.803 -0.665 0.000 0.840 219 Q CB -0.130 27.870 28.738 -1.230 0.000 0.898 219 Q HN 0.270 nan 8.270 nan 0.000 0.430 220 L N 0.003 121.097 121.223 -0.215 0.000 2.131 220 L HA -0.173 4.166 4.340 -0.000 0.000 0.210 220 L C 2.331 179.134 176.870 -0.112 0.000 1.092 220 L CA 1.068 55.822 54.840 -0.143 0.000 0.759 220 L CB -0.585 41.406 42.059 -0.114 0.000 0.903 220 L HN 0.276 nan 8.230 nan 0.000 0.435 221 T N -0.913 113.586 114.554 -0.092 0.000 2.746 221 T HA -0.229 4.121 4.350 -0.000 0.000 0.267 221 T C 1.900 176.587 174.700 -0.020 0.000 1.039 221 T CA 1.262 63.330 62.100 -0.054 0.000 1.142 221 T CB -0.147 68.694 68.868 -0.045 0.000 0.866 221 T HN 0.380 nan 8.240 nan 0.000 0.444 222 Q N 0.093 119.885 119.800 -0.014 0.000 2.096 222 Q HA -0.095 4.245 4.340 -0.000 0.000 0.204 222 Q C 2.362 178.420 176.000 0.096 0.000 0.982 222 Q CA 1.197 57.035 55.803 0.058 0.000 0.850 222 Q CB -0.364 28.435 28.738 0.101 0.000 0.901 222 Q HN 0.332 nan 8.270 nan 0.000 0.422 223 L N 0.057 121.318 121.223 0.063 0.000 2.017 223 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 223 L C 2.130 179.022 176.870 0.036 0.000 1.073 223 L CA 1.391 56.234 54.840 0.005 0.000 0.745 223 L CB -0.380 41.560 42.059 -0.198 0.000 0.894 223 L HN -0.009 nan 8.230 nan 0.000 0.432 224 V N -0.380 119.522 119.914 -0.019 0.000 2.343 224 V HA -0.280 3.839 4.120 -0.000 0.000 0.247 224 V C 2.475 178.583 176.094 0.023 0.000 1.051 224 V CA 2.014 64.302 62.300 -0.019 0.000 1.036 224 V CB -0.642 31.150 31.823 -0.051 0.000 0.654 224 V HN 0.496 nan 8.190 nan 0.000 0.451 225 E N -0.635 119.592 120.200 0.045 0.000 2.110 225 E HA -0.240 4.110 4.350 -0.000 0.000 0.193 225 E C 2.002 178.654 176.600 0.087 0.000 0.988 225 E CA 1.574 58.006 56.400 0.053 0.000 0.804 225 E CB -0.228 29.504 29.700 0.054 0.000 0.745 225 E HN 0.639 nan 8.360 nan 0.000 0.458 226 F N 1.313 121.247 119.950 -0.026 0.000 2.102 226 F HA -0.167 4.359 4.527 -0.000 0.000 0.298 226 F C 2.190 177.967 175.800 -0.040 0.000 1.105 226 F CA 1.482 59.466 58.000 -0.027 0.000 1.239 226 F CB -0.300 38.684 39.000 -0.026 0.000 0.991 226 F HN -0.048 nan 8.300 nan 0.000 0.474 227 A N 0.101 122.958 122.820 0.061 0.000 1.902 227 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 227 A C 2.294 179.810 177.584 -0.112 0.000 1.181 227 A CA 1.883 53.879 52.037 -0.067 0.000 0.623 227 A CB -0.850 18.146 19.000 -0.008 0.000 0.818 227 A HN 0.478 nan 8.150 nan 0.000 0.443 228 K N 0.317 120.677 120.400 -0.067 0.000 2.057 228 K HA -0.222 4.098 4.320 -0.000 0.000 0.207 228 K C 2.118 178.665 176.600 -0.088 0.000 1.049 228 K CA 1.886 58.136 56.287 -0.062 0.000 0.931 228 K CB -0.153 32.327 32.500 -0.032 0.000 0.714 228 K HN 0.595 nan 8.250 nan 0.000 0.440 229 K N -0.232 120.101 120.400 -0.112 0.000 2.097 229 K HA -0.063 4.257 4.320 -0.000 0.000 0.205 229 K C 1.414 177.909 176.600 -0.175 0.000 1.050 229 K CA 1.785 57.997 56.287 -0.124 0.000 0.938 229 K CB -0.075 32.360 32.500 -0.108 0.000 0.718 229 K HN 0.000 nan 8.250 nan 0.000 0.442 230 N N 0.412 118.943 118.700 -0.281 0.000 2.412 230 N HA 0.073 4.813 4.740 -0.000 0.000 0.184 230 N C 0.315 175.715 175.510 -0.182 0.000 1.101 230 N CA 1.002 53.877 53.050 -0.293 0.000 0.881 230 N CB 0.638 38.815 38.487 -0.518 0.000 0.969 230 N HN 0.537 nan 8.380 nan 0.000 0.459 231 G N 0.244 108.960 108.800 -0.140 0.000 2.295 231 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.287 231 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.287 231 G C -0.234 174.612 174.900 -0.090 0.000 1.055 231 G CA 0.462 45.510 45.100 -0.088 0.000 0.922 231 G HN 0.293 nan 8.290 nan 0.000 0.503 232 S N -1.028 114.602 115.700 -0.117 0.000 2.690 232 S HA 0.753 5.223 4.470 -0.000 0.000 0.291 232 S C 0.468 175.002 174.600 -0.111 0.000 1.138 232 S CA -0.587 57.542 58.200 -0.118 0.000 1.013 232 S CB 1.612 64.739 63.200 -0.121 0.000 1.053 232 S HN 0.380 nan 8.310 nan 0.000 0.539 233 I N 1.909 122.386 120.570 -0.156 0.000 2.354 233 I HA 0.364 4.534 4.170 -0.000 0.000 0.292 233 I C -0.706 175.293 176.117 -0.197 0.000 0.989 233 I CA -0.381 60.822 61.300 -0.163 0.000 1.188 233 I CB 0.968 38.852 38.000 -0.194 0.000 1.342 233 I HN 0.423 nan 8.210 nan 0.000 0.457 234 I N 6.821 127.310 120.570 -0.136 0.000 2.342 234 I HA 0.195 4.365 4.170 -0.000 0.000 0.291 234 I C -0.271 175.759 176.117 -0.146 0.000 1.010 234 I CA -0.573 60.648 61.300 -0.131 0.000 1.308 234 I CB 1.334 39.290 38.000 -0.074 0.000 1.400 234 I HN 0.199 nan 8.210 nan 0.000 0.488 235 V N 7.490 127.253 119.914 -0.251 0.000 2.318 235 V HA 0.140 4.260 4.120 -0.000 0.000 0.271 235 V C -0.597 175.470 176.094 -0.045 0.000 1.030 235 V CA -0.600 61.575 62.300 -0.208 0.000 0.844 235 V CB 0.505 32.042 31.823 -0.477 0.000 1.015 235 V HN 0.440 nan 8.190 nan 0.000 0.460 236 Y N 3.914 124.152 120.300 -0.104 0.000 2.367 236 Y HA 0.431 4.981 4.550 -0.000 0.000 0.342 236 Y C 0.196 176.086 175.900 -0.017 0.000 0.979 236 Y CA -0.670 57.411 58.100 -0.030 0.000 1.161 236 Y CB 0.999 39.401 38.460 -0.097 0.000 1.155 236 Y HN 0.637 nan 8.280 nan 0.000 0.503 237 D N 3.634 123.865 120.400 -0.282 0.000 2.373 237 D HA 0.115 4.755 4.640 -0.000 0.000 0.227 237 D C -0.111 175.991 176.300 -0.330 0.000 1.091 237 D CA -0.102 53.780 54.000 -0.196 0.000 0.840 237 D CB 0.952 41.751 40.800 -0.002 0.000 1.060 237 D HN 0.568 nan 8.370 nan 0.000 0.502 238 S N 2.148 117.713 115.700 -0.225 0.000 2.561 238 S HA 0.306 4.776 4.470 -0.000 0.000 0.245 238 S C 1.582 176.095 174.600 -0.144 0.000 1.001 238 S CA -0.061 58.063 58.200 -0.126 0.000 1.002 238 S CB 0.619 63.877 63.200 0.096 0.000 0.805 238 S HN 0.376 nan 8.310 nan 0.000 0.458 239 A N 0.915 123.556 122.820 -0.298 0.000 2.032 239 A HA -0.043 4.277 4.320 -0.000 0.000 0.221 239 A C 1.216 178.436 177.584 -0.607 0.000 1.165 239 A CA 1.224 52.918 52.037 -0.572 0.000 0.645 239 A CB -0.773 17.787 19.000 -0.734 0.000 0.807 239 A HN 0.730 nan 8.150 nan 0.000 0.453 240 Y N -1.773 118.553 120.300 0.043 0.000 2.584 240 Y HA 0.475 5.025 4.550 -0.000 0.000 0.254 240 Y C 2.145 178.266 175.900 0.368 0.000 1.177 240 Y CA -0.259 57.986 58.100 0.243 0.000 1.216 240 Y CB -0.241 38.248 38.460 0.049 0.000 1.172 240 Y HN 0.257 nan 8.280 nan 0.000 0.529 241 A N 0.251 123.299 122.820 0.380 0.000 1.972 241 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 241 A C 2.007 179.719 177.584 0.214 0.000 1.169 241 A CA 1.438 53.639 52.037 0.272 0.000 0.635 241 A CB -0.499 18.629 19.000 0.214 0.000 0.810 241 A HN 0.458 nan 8.150 nan 0.000 0.446 242 M N -1.725 117.958 119.600 0.138 0.000 2.686 242 M HA -0.037 4.443 4.480 -0.000 0.000 0.246 242 M C 0.839 177.058 176.300 -0.136 0.000 1.096 242 M CA 0.770 55.959 55.300 -0.185 0.000 1.076 242 M CB -0.189 31.924 32.600 -0.811 0.000 1.504 242 M HN 0.544 nan 8.290 nan 0.000 0.524 243 Y N -0.607 119.766 120.300 0.120 0.000 2.490 243 Y HA 0.133 4.683 4.550 -0.000 0.000 0.281 243 Y C 0.909 176.835 175.900 0.042 0.000 1.174 243 Y CA -0.252 57.905 58.100 0.096 0.000 1.295 243 Y CB -0.112 38.417 38.460 0.115 0.000 1.062 243 Y HN 0.151 nan 8.280 nan 0.000 0.522 244 M N -0.307 119.384 119.600 0.152 0.000 2.260 244 M HA -0.068 4.412 4.480 -0.000 0.000 0.348 244 M C 1.037 177.378 176.300 0.068 0.000 1.342 244 M CA 0.773 56.133 55.300 0.101 0.000 1.040 244 M CB 0.584 33.241 32.600 0.096 0.000 1.810 244 M HN 0.004 nan 8.290 nan 0.000 0.453 245 S N 1.444 117.178 115.700 0.056 0.000 2.641 245 S HA 0.156 4.626 4.470 -0.000 0.000 0.239 245 S C -0.092 174.532 174.600 0.039 0.000 1.081 245 S CA -0.266 57.960 58.200 0.043 0.000 0.904 245 S CB 0.224 63.445 63.200 0.035 0.000 0.803 245 S HN 0.740 nan 8.310 nan 0.000 0.510 246 D N 2.534 122.956 120.400 0.038 0.000 2.378 246 D HA 0.077 4.717 4.640 -0.000 0.000 0.238 246 D C -0.308 176.014 176.300 0.038 0.000 1.180 246 D CA 0.293 54.314 54.000 0.035 0.000 0.895 246 D CB 0.307 41.128 40.800 0.035 0.000 1.192 246 D HN 0.054 nan 8.370 nan 0.000 0.438 247 D N 1.104 121.522 120.400 0.031 0.000 2.551 247 D HA 0.077 4.717 4.640 -0.000 0.000 0.223 247 D C -0.835 175.484 176.300 0.032 0.000 1.144 247 D CA -0.166 53.853 54.000 0.030 0.000 1.025 247 D CB -0.831 39.983 40.800 0.022 0.000 1.085 247 D HN 0.227 nan 8.370 nan 0.000 0.506 248 N N 1.717 120.444 118.700 0.044 0.000 2.362 248 N HA 0.476 5.216 4.740 -0.000 0.000 0.299 248 N C -2.588 172.962 175.510 0.067 0.000 1.170 248 N CA -1.816 51.265 53.050 0.051 0.000 0.825 248 N CB 1.666 40.192 38.487 0.064 0.000 1.299 248 N HN 0.051 nan 8.380 nan 0.000 0.502 249 P HA 0.099 nan 4.420 nan 0.000 0.268 249 P C -0.175 177.204 177.300 0.131 0.000 1.205 249 P CA 0.125 63.271 63.100 0.077 0.000 0.771 249 P CB 0.826 32.551 31.700 0.041 0.000 0.858 250 R N 0.255 120.838 120.500 0.139 0.000 2.265 250 R HA 0.181 4.521 4.340 -0.000 0.000 0.194 250 R C 0.635 177.088 176.300 0.255 0.000 0.931 250 R CA 0.357 56.571 56.100 0.191 0.000 1.032 250 R CB 0.371 30.762 30.300 0.153 0.000 0.980 250 R HN 0.380 nan 8.270 nan 0.000 0.497 251 S N -0.103 115.707 115.700 0.184 0.000 2.526 251 S HA 0.208 4.677 4.470 -0.000 0.000 0.293 251 S C 0.580 175.060 174.600 -0.200 0.000 1.092 251 S CA -0.691 57.599 58.200 0.151 0.000 0.980 251 S CB 1.530 64.947 63.200 0.363 0.000 1.048 251 S HN 0.090 nan 8.310 nan 0.000 0.483 252 I N 4.104 124.214 120.570 -0.767 0.000 2.423 252 I HA 0.021 4.191 4.170 -0.000 0.000 0.254 252 I C 0.943 176.746 176.117 -0.523 0.000 1.151 252 I CA 1.455 62.171 61.300 -0.974 0.000 1.421 252 I CB -0.472 36.688 38.000 -1.400 0.000 1.079 252 I HN 0.739 nan 8.210 nan 0.000 0.431 253 F N 0.692 120.598 119.950 -0.074 0.000 2.699 253 F HA -0.012 4.515 4.527 -0.000 0.000 0.298 253 F C 2.224 178.031 175.800 0.011 0.000 1.154 253 F CA 0.560 58.555 58.000 -0.009 0.000 1.457 253 F CB -0.993 38.038 39.000 0.052 0.000 1.106 253 F HN 0.191 nan 8.300 nan 0.000 0.585 254 E N 0.107 120.381 120.200 0.122 0.000 2.338 254 E HA -0.100 4.250 4.350 -0.000 0.000 0.197 254 E C 0.358 176.976 176.600 0.030 0.000 1.007 254 E CA 0.407 56.854 56.400 0.078 0.000 0.849 254 E CB 0.092 29.823 29.700 0.052 0.000 0.774 254 E HN 0.170 nan 8.360 nan 0.000 0.506 255 I N 2.525 123.090 120.570 -0.010 0.000 2.312 255 I HA 0.173 4.343 4.170 -0.000 0.000 0.291 255 I C -2.305 173.817 176.117 0.008 0.000 1.031 255 I CA -3.225 58.060 61.300 -0.025 0.000 1.293 255 I CB 0.185 38.137 38.000 -0.080 0.000 1.403 255 I HN -0.313 nan 8.210 nan 0.000 0.484 256 P HA 0.187 nan 4.420 nan 0.000 0.264 256 P C 0.939 178.247 177.300 0.014 0.000 1.193 256 P CA 0.663 63.776 63.100 0.021 0.000 0.763 256 P CB 0.682 32.389 31.700 0.012 0.000 0.810 257 G N 2.815 111.629 108.800 0.024 0.000 2.234 257 G HA2 -0.319 3.640 3.960 -0.000 0.000 0.235 257 G HA3 -0.319 3.640 3.960 -0.000 0.000 0.235 257 G C 1.218 176.133 174.900 0.026 0.000 0.997 257 G CA 0.377 45.487 45.100 0.017 0.000 0.623 257 G HN 0.648 nan 8.290 nan 0.000 0.514 258 A N 1.207 124.052 122.820 0.041 0.000 2.024 258 A HA 0.041 4.361 4.320 -0.000 0.000 0.220 258 A C 2.112 179.789 177.584 0.155 0.000 1.164 258 A CA 2.300 54.365 52.037 0.047 0.000 0.643 258 A CB -0.415 18.581 19.000 -0.007 0.000 0.806 258 A HN 0.999 nan 8.150 nan 0.000 0.451 259 E N 0.597 120.900 120.200 0.172 0.000 2.333 259 E HA -0.205 4.145 4.350 -0.000 0.000 0.198 259 E C 1.038 177.673 176.600 0.059 0.000 1.007 259 E CA 1.458 57.933 56.400 0.126 0.000 0.845 259 E CB -0.397 29.315 29.700 0.021 0.000 0.766 259 E HN 0.786 nan 8.360 nan 0.000 0.507 260 E N 0.348 120.571 120.200 0.038 0.000 2.472 260 E HA 0.022 4.372 4.350 -0.000 0.000 0.196 260 E C 1.480 178.079 176.600 -0.002 0.000 1.033 260 E CA 0.697 57.102 56.400 0.008 0.000 0.886 260 E CB 0.895 30.595 29.700 -0.001 0.000 0.944 260 E HN 0.302 nan 8.360 nan 0.000 0.492 261 V N -4.133 115.785 119.914 0.007 0.000 3.392 261 V HA 0.565 4.685 4.120 -0.000 0.000 0.294 261 V C 0.137 176.215 176.094 -0.027 0.000 1.561 261 V CA -0.185 62.101 62.300 -0.022 0.000 1.056 261 V CB 0.631 32.432 31.823 -0.036 0.000 0.882 261 V HN 0.034 nan 8.190 nan 0.000 0.440 262 A N 2.075 124.906 122.820 0.018 0.000 2.475 262 A HA 0.982 5.302 4.320 -0.000 0.000 0.301 262 A C -0.642 177.002 177.584 0.100 0.000 1.059 262 A CA -0.611 51.417 52.037 -0.015 0.000 0.710 262 A CB 2.016 20.917 19.000 -0.164 0.000 1.288 262 A HN 0.718 nan 8.150 nan 0.000 0.408 263 M N 0.126 119.749 119.600 0.038 0.000 2.761 263 M HA 0.865 5.345 4.480 -0.000 0.000 0.305 263 M C -0.608 175.716 176.300 0.040 0.000 1.235 263 M CA -0.519 54.859 55.300 0.131 0.000 0.850 263 M CB 1.988 34.601 32.600 0.021 0.000 1.744 263 M HN 0.680 nan 8.290 nan 0.000 0.480 264 E N 0.352 120.629 120.200 0.129 0.000 2.272 264 E HA 0.495 4.845 4.350 -0.000 0.000 0.269 264 E C -1.794 174.844 176.600 0.063 0.000 0.877 264 E CA -0.534 55.934 56.400 0.115 0.000 0.755 264 E CB 2.546 32.348 29.700 0.170 0.000 1.192 264 E HN 0.802 nan 8.360 nan 0.000 0.422 265 T N 1.892 116.429 114.554 -0.029 0.000 2.863 265 T HA 0.847 5.197 4.350 -0.000 0.000 0.285 265 T C -1.255 173.228 174.700 -0.360 0.000 1.009 265 T CA -0.022 61.972 62.100 -0.177 0.000 0.989 265 T CB 1.291 70.098 68.868 -0.101 0.000 1.004 265 T HN 0.609 nan 8.240 nan 0.000 0.455 266 A N 2.583 124.950 122.820 -0.756 0.000 2.529 266 A HA 0.923 5.243 4.320 -0.000 0.000 0.296 266 A C -0.782 176.105 177.584 -1.162 0.000 1.205 266 A CA -0.674 50.749 52.037 -1.022 0.000 0.671 266 A CB 1.517 19.755 19.000 -1.271 0.000 1.301 266 A HN 0.957 nan 8.150 nan 0.000 0.450 267 S N -1.974 113.064 115.700 -1.103 0.000 2.565 267 S HA 0.621 5.091 4.470 -0.000 0.000 0.269 267 S C -0.992 173.225 174.600 -0.637 0.000 1.153 267 S CA -0.409 57.403 58.200 -0.647 0.000 0.835 267 S CB 0.651 63.581 63.200 -0.451 0.000 1.122 267 S HN 0.699 nan 8.310 nan 0.000 0.462 268 F N 1.686 121.581 119.950 -0.092 0.000 2.797 268 F HA 0.186 4.713 4.527 -0.000 0.000 0.302 268 F C 2.415 178.130 175.800 -0.142 0.000 1.130 268 F CA 0.242 58.181 58.000 -0.101 0.000 1.387 268 F CB 0.008 38.901 39.000 -0.178 0.000 1.107 268 F HN 0.499 nan 8.300 nan 0.000 0.577 269 S N 0.475 116.164 115.700 -0.018 0.000 2.359 269 S HA -0.214 4.256 4.470 -0.000 0.000 0.223 269 S C 1.764 176.334 174.600 -0.049 0.000 1.039 269 S CA 1.662 59.863 58.200 0.002 0.000 1.042 269 S CB -0.274 62.862 63.200 -0.106 0.000 0.915 269 S HN 0.426 nan 8.310 nan 0.000 0.439 270 N N -0.348 118.231 118.700 -0.200 0.000 2.336 270 N HA 0.085 4.825 4.740 -0.000 0.000 0.189 270 N C 0.450 176.233 175.510 0.456 0.000 1.113 270 N CA 0.428 53.516 53.050 0.064 0.000 0.858 270 N CB 0.100 38.633 38.487 0.077 0.000 0.970 270 N HN 0.438 nan 8.380 nan 0.000 0.471 271 Y N 0.039 120.466 120.300 0.212 0.000 2.500 271 Y HA 0.394 4.944 4.550 -0.000 0.000 0.284 271 Y C 1.890 177.899 175.900 0.181 0.000 1.118 271 Y CA -0.475 57.741 58.100 0.193 0.000 1.241 271 Y CB -0.210 38.334 38.460 0.141 0.000 1.171 271 Y HN -0.041 nan 8.280 nan 0.000 0.540 272 A N -1.051 121.944 122.820 0.292 0.000 2.508 272 A HA 0.547 4.867 4.320 -0.000 0.000 0.250 272 A C 1.598 179.355 177.584 0.288 0.000 1.208 272 A CA 0.402 52.541 52.037 0.171 0.000 0.960 272 A CB -0.441 18.439 19.000 -0.201 0.000 1.099 272 A HN 0.480 nan 8.150 nan 0.000 0.542 273 G N -1.007 107.966 108.800 0.287 0.000 2.198 273 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.257 273 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.257 273 G C 0.122 175.236 174.900 0.357 0.000 1.042 273 G CA 0.311 45.564 45.100 0.255 0.000 0.791 273 G HN 0.346 nan 8.290 nan 0.000 0.502 274 F N 1.745 121.745 119.950 0.084 0.000 2.695 274 F HA 0.141 4.668 4.527 -0.000 0.000 0.301 274 F C 2.594 178.415 175.800 0.035 0.000 1.182 274 F CA 0.745 58.791 58.000 0.076 0.000 1.412 274 F CB -0.543 38.543 39.000 0.143 0.000 1.056 274 F HN 0.329 nan 8.300 nan 0.000 0.522 275 T N -3.498 111.139 114.554 0.139 0.000 2.803 275 T HA -0.146 4.203 4.350 -0.000 0.000 0.269 275 T C 2.309 177.027 174.700 0.030 0.000 1.052 275 T CA 1.474 63.599 62.100 0.041 0.000 1.136 275 T CB -0.567 68.284 68.868 -0.028 0.000 0.864 275 T HN 0.335 nan 8.240 nan 0.000 0.467 276 G N -0.035 108.775 108.800 0.016 0.000 2.796 276 G HA2 0.228 4.188 3.960 -0.000 0.000 0.210 276 G HA3 0.228 4.188 3.960 -0.000 0.000 0.210 276 G C 1.465 176.332 174.900 -0.055 0.000 1.146 276 G CA 0.297 45.390 45.100 -0.012 0.000 0.779 276 G HN 0.468 nan 8.290 nan 0.000 0.535 277 V N 0.171 120.009 119.914 -0.127 0.000 2.535 277 V HA 0.120 4.240 4.120 -0.000 0.000 0.246 277 V C 0.828 176.837 176.094 -0.141 0.000 1.045 277 V CA 0.433 62.559 62.300 -0.291 0.000 1.058 277 V CB -0.498 30.795 31.823 -0.883 0.000 0.689 277 V HN 0.428 nan 8.190 nan 0.000 0.461 278 R N 0.313 120.820 120.500 0.013 0.000 2.318 278 R HA -0.066 4.274 4.340 -0.000 0.000 0.352 278 R C -1.161 175.278 176.300 0.230 0.000 1.046 278 R CA 0.233 56.408 56.100 0.125 0.000 0.745 278 R CB -1.779 28.576 30.300 0.092 0.000 2.292 278 R HN 0.306 nan 8.270 nan 0.000 0.475 279 L N 0.870 122.320 121.223 0.379 0.000 2.614 279 L HA 0.741 5.081 4.340 -0.000 0.000 0.264 279 L C 0.190 177.387 176.870 0.544 0.000 0.940 279 L CA 0.425 55.554 54.840 0.482 0.000 0.903 279 L CB 2.059 44.467 42.059 0.583 0.000 1.306 279 L HN 0.727 nan 8.230 nan 0.000 0.410 280 G N 2.999 112.068 108.800 0.448 0.000 3.021 280 G HA2 0.774 4.734 3.960 -0.000 0.000 0.290 280 G HA3 0.774 4.734 3.960 -0.000 0.000 0.290 280 G C -2.147 173.073 174.900 0.533 0.000 1.291 280 G CA -0.190 45.113 45.100 0.339 0.000 0.834 280 G HN 0.719 nan 8.290 nan 0.000 0.564 281 W N -1.958 119.444 121.300 0.170 0.000 3.059 281 W HA 0.738 5.397 4.660 -0.000 0.000 0.329 281 W C -1.331 175.299 176.519 0.185 0.000 1.246 281 W CA -1.047 56.434 57.345 0.225 0.000 1.190 281 W CB 0.905 30.521 29.460 0.261 0.000 1.423 281 W HN 0.597 nan 8.180 nan 0.000 0.571 282 T N 1.833 116.637 114.554 0.417 0.000 2.876 282 T HA 0.602 4.952 4.350 -0.000 0.000 0.289 282 T C -1.396 173.569 174.700 0.442 0.000 1.014 282 T CA -0.627 61.618 62.100 0.242 0.000 0.986 282 T CB 1.867 70.733 68.868 -0.005 0.000 1.021 282 T HN 0.438 nan 8.240 nan 0.000 0.458 283 V N 4.211 124.319 119.914 0.324 0.000 2.384 283 V HA 0.556 4.676 4.120 -0.000 0.000 0.287 283 V C -0.484 175.728 176.094 0.197 0.000 1.020 283 V CA -0.711 61.740 62.300 0.252 0.000 0.850 283 V CB 1.248 33.116 31.823 0.075 0.000 0.987 283 V HN 0.754 nan 8.190 nan 0.000 0.436 284 I N 7.482 128.165 120.570 0.187 0.000 2.439 284 I HA 0.412 4.582 4.170 -0.000 0.000 0.285 284 I C -2.396 173.742 176.117 0.035 0.000 1.021 284 I CA -1.885 59.478 61.300 0.105 0.000 1.091 284 I CB 2.586 40.618 38.000 0.053 0.000 1.242 284 I HN 0.427 nan 8.210 nan 0.000 0.439 285 P HA 0.224 nan 4.420 nan 0.000 0.276 285 P C -0.020 177.237 177.300 -0.071 0.000 1.244 285 P CA -0.492 62.518 63.100 -0.151 0.000 0.801 285 P CB 1.364 32.927 31.700 -0.227 0.000 1.006 286 K N 0.699 121.050 120.400 -0.081 0.000 2.147 286 K HA -0.112 4.208 4.320 -0.000 0.000 0.205 286 K C 1.531 178.097 176.600 -0.056 0.000 1.049 286 K CA 1.492 57.744 56.287 -0.059 0.000 0.936 286 K CB -0.131 32.332 32.500 -0.062 0.000 0.722 286 K HN 0.429 nan 8.250 nan 0.000 0.446 287 K N 0.651 121.019 120.400 -0.053 0.000 2.444 287 K HA 0.028 4.348 4.320 -0.000 0.000 0.193 287 K C -0.139 176.440 176.600 -0.035 0.000 1.024 287 K CA -0.130 56.134 56.287 -0.039 0.000 1.077 287 K CB 0.184 32.666 32.500 -0.030 0.000 0.833 287 K HN -0.036 nan 8.250 nan 0.000 0.517 288 L N 2.183 123.380 121.223 -0.043 0.000 2.283 288 L HA 0.254 4.594 4.340 -0.000 0.000 0.287 288 L C -0.996 175.816 176.870 -0.097 0.000 1.073 288 L CA 0.118 54.924 54.840 -0.057 0.000 0.822 288 L CB 0.129 42.158 42.059 -0.049 0.000 1.186 288 L HN -0.038 nan 8.230 nan 0.000 0.436 289 L N 4.912 126.087 121.223 -0.080 0.000 2.370 289 L HA 0.461 4.801 4.340 -0.000 0.000 0.266 289 L C -0.654 176.208 176.870 -0.014 0.000 1.002 289 L CA -1.008 53.804 54.840 -0.047 0.000 0.818 289 L CB 1.544 43.611 42.059 0.013 0.000 1.325 289 L HN 0.339 nan 8.230 nan 0.000 0.418 290 Y N 0.177 120.550 120.300 0.122 0.000 2.258 290 Y HA -0.052 4.498 4.550 -0.000 0.000 0.345 290 Y C 1.829 177.778 175.900 0.082 0.000 1.303 290 Y CA 0.403 58.573 58.100 0.116 0.000 1.537 290 Y CB 0.766 39.325 38.460 0.165 0.000 1.383 290 Y HN 0.720 nan 8.280 nan 0.000 0.606 291 S N -0.726 115.132 115.700 0.264 0.000 2.442 291 S HA -0.170 4.300 4.470 -0.000 0.000 0.236 291 S C 0.911 175.582 174.600 0.118 0.000 1.007 291 S CA 1.276 59.557 58.200 0.136 0.000 0.965 291 S CB -0.508 62.744 63.200 0.087 0.000 0.773 291 S HN 0.771 nan 8.310 nan 0.000 0.504 292 D N 0.087 120.578 120.400 0.151 0.000 2.328 292 D HA 0.269 4.909 4.640 -0.000 0.000 0.221 292 D C 1.406 177.805 176.300 0.165 0.000 1.072 292 D CA 0.515 54.592 54.000 0.129 0.000 0.850 292 D CB -0.648 40.211 40.800 0.099 0.000 0.922 292 D HN 0.567 nan 8.370 nan 0.000 0.516 293 G N -0.138 108.770 108.800 0.181 0.000 2.179 293 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.260 293 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.260 293 G C -0.068 174.944 174.900 0.185 0.000 0.977 293 G CA 0.009 45.197 45.100 0.147 0.000 0.641 293 G HN 0.416 nan 8.290 nan 0.000 0.533 294 F N 3.092 123.131 119.950 0.148 0.000 2.456 294 F HA 0.544 5.071 4.527 -0.000 0.000 0.358 294 F C -1.701 174.195 175.800 0.161 0.000 1.095 294 F CA -2.128 55.973 58.000 0.168 0.000 1.216 294 F CB 1.067 40.198 39.000 0.218 0.000 1.125 294 F HN -0.061 nan 8.300 nan 0.000 0.549 295 P HA 0.036 nan 4.420 nan 0.000 0.276 295 P C 0.700 177.946 177.300 -0.090 0.000 1.243 295 P CA 0.001 62.961 63.100 -0.234 0.000 0.768 295 P CB 1.108 32.637 31.700 -0.285 0.000 0.856 296 V N 3.671 123.508 119.914 -0.129 0.000 2.392 296 V HA -0.303 3.816 4.120 -0.000 0.000 0.249 296 V C 2.410 178.520 176.094 0.028 0.000 1.059 296 V CA 2.708 64.911 62.300 -0.162 0.000 1.051 296 V CB -1.543 30.061 31.823 -0.365 0.000 0.658 296 V HN 0.630 nan 8.190 nan 0.000 0.455 297 A N -0.582 122.252 122.820 0.024 0.000 1.978 297 A HA -0.248 4.071 4.320 -0.000 0.000 0.220 297 A C 2.311 180.018 177.584 0.204 0.000 1.170 297 A CA 1.921 54.041 52.037 0.137 0.000 0.636 297 A CB -0.417 18.719 19.000 0.226 0.000 0.810 297 A HN 0.558 nan 8.150 nan 0.000 0.448 298 K N -0.676 119.802 120.400 0.130 0.000 2.097 298 K HA -0.113 4.207 4.320 -0.000 0.000 0.205 298 K C 1.299 178.080 176.600 0.301 0.000 1.050 298 K CA 1.293 57.679 56.287 0.165 0.000 0.938 298 K CB -0.148 32.324 32.500 -0.048 0.000 0.718 298 K HN 0.353 nan 8.250 nan 0.000 0.442 299 D N 0.223 120.872 120.400 0.417 0.000 2.149 299 D HA -0.121 4.519 4.640 -0.000 0.000 0.201 299 D C 1.553 177.959 176.300 0.177 0.000 0.972 299 D CA 0.704 54.902 54.000 0.331 0.000 0.835 299 D CB -0.103 40.937 40.800 0.401 0.000 0.966 299 D HN 0.025 nan 8.370 nan 0.000 0.476 300 F N 1.665 121.583 119.950 -0.053 0.000 2.134 300 F HA -0.158 4.369 4.527 0.000 0.000 0.299 300 F C 2.028 177.715 175.800 -0.190 0.000 1.097 300 F CA 1.201 59.054 58.000 -0.245 0.000 1.264 300 F CB -0.437 38.248 39.000 -0.526 0.000 1.001 300 F HN -0.116 nan 8.300 nan 0.000 0.479 301 N N 0.037 118.725 118.700 -0.019 0.000 2.104 301 N HA -0.252 4.488 4.740 -0.000 0.000 0.190 301 N C 2.019 177.536 175.510 0.012 0.000 1.024 301 N CA 1.345 54.459 53.050 0.108 0.000 0.853 301 N CB -0.198 38.468 38.487 0.297 0.000 1.008 301 N HN 0.073 nan 8.380 nan 0.000 0.424 302 R N 0.475 120.994 120.500 0.032 0.000 2.081 302 R HA 0.054 4.394 4.340 -0.000 0.000 0.235 302 R C 1.847 178.118 176.300 -0.048 0.000 1.131 302 R CA 1.090 57.202 56.100 0.019 0.000 0.960 302 R CB -0.652 29.682 30.300 0.058 0.000 0.856 302 R HN 0.282 nan 8.270 nan 0.000 0.436 303 I N 0.420 120.919 120.570 -0.119 0.000 2.163 303 I HA -0.239 3.931 4.170 -0.000 0.000 0.243 303 I C 1.998 177.993 176.117 -0.203 0.000 1.085 303 I CA 1.192 62.390 61.300 -0.170 0.000 1.347 303 I CB -0.802 37.062 38.000 -0.226 0.000 1.044 303 I HN 0.151 nan 8.210 nan 0.000 0.408 304 I N 0.456 120.826 120.570 -0.333 0.000 2.394 304 I HA -0.240 3.930 4.170 -0.000 0.000 0.251 304 I C 2.532 178.672 176.117 0.038 0.000 1.136 304 I CA 1.178 62.378 61.300 -0.167 0.000 1.425 304 I CB -0.567 37.274 38.000 -0.265 0.000 1.079 304 I HN 0.230 nan 8.210 nan 0.000 0.425 305 C N -0.748 118.551 119.300 -0.002 0.000 2.514 305 C HA 0.035 4.495 4.460 -0.000 0.000 0.271 305 C C 2.514 177.499 174.990 -0.008 0.000 1.399 305 C CA 0.971 59.994 59.018 0.007 0.000 1.765 305 C CB -1.035 26.712 27.740 0.011 0.000 1.893 305 C HN 0.486 nan 8.230 nan 0.000 0.531 306 T N -1.533 113.017 114.554 -0.007 0.000 3.038 306 T HA 0.006 4.356 4.350 -0.000 0.000 0.244 306 T C 1.283 175.989 174.700 0.011 0.000 1.016 306 T CA 0.806 62.901 62.100 -0.008 0.000 1.098 306 T CB -0.041 68.820 68.868 -0.013 0.000 0.954 306 T HN 0.507 nan 8.240 nan 0.000 0.469 307 C N 1.184 120.502 119.300 0.029 0.000 3.038 307 C HA 0.600 5.060 4.460 -0.000 0.000 0.279 307 C C -0.160 174.931 174.990 0.168 0.000 1.276 307 C CA -0.991 58.061 59.018 0.056 0.000 1.697 307 C CB -1.235 26.511 27.740 0.011 0.000 2.032 307 C HN 0.442 nan 8.230 nan 0.000 0.636 308 F N 0.941 120.867 119.950 -0.041 0.000 2.631 308 F HA 0.480 5.007 4.527 0.000 0.000 0.308 308 F C -0.316 175.484 175.800 -0.001 0.000 1.097 308 F CA -0.947 57.044 58.000 -0.015 0.000 0.952 308 F CB 1.145 40.126 39.000 -0.031 0.000 1.307 308 F HN -0.245 nan 8.300 nan 0.000 0.450 309 N N 1.752 120.169 118.700 -0.472 0.000 2.238 309 N HA 0.404 5.143 4.740 -0.000 0.000 0.235 309 N C -0.287 174.874 175.510 -0.582 0.000 1.209 309 N CA 0.747 53.570 53.050 -0.377 0.000 0.879 309 N CB 1.013 39.442 38.487 -0.096 0.000 1.136 309 N HN 1.048 nan 8.380 nan 0.000 0.517 310 G N 0.170 108.136 108.800 -1.390 0.000 2.663 310 G HA2 0.091 4.051 3.960 -0.000 0.000 0.686 310 G HA3 0.091 4.051 3.960 -0.000 0.000 0.686 310 G C -0.408 174.104 174.900 -0.647 0.000 1.246 310 G CA -0.533 44.037 45.100 -0.883 0.000 0.795 310 G HN 0.345 nan 8.290 nan 0.000 0.627 311 A N 0.665 123.466 122.820 -0.031 0.000 2.425 311 A HA 0.761 5.081 4.320 -0.000 0.000 0.242 311 A C 1.337 178.950 177.584 0.047 0.000 1.077 311 A CA 1.231 53.369 52.037 0.168 0.000 0.781 311 A CB 0.544 19.717 19.000 0.287 0.000 1.020 311 A HN 2.479 nan 8.150 nan 0.000 0.494 312 S N 0.645 116.379 115.700 0.057 0.000 2.558 312 S HA -0.031 4.438 4.470 -0.000 0.000 0.293 312 S C 1.427 176.028 174.600 0.002 0.000 1.292 312 S CA 0.097 58.302 58.200 0.008 0.000 1.063 312 S CB -0.099 63.102 63.200 0.001 0.000 0.831 312 S HN 0.875 nan 8.310 nan 0.000 0.499 313 N N 5.936 124.618 118.700 -0.030 0.000 2.223 313 N HA -0.155 4.585 4.740 -0.000 0.000 0.185 313 N C 1.447 176.939 175.510 -0.029 0.000 1.016 313 N CA 1.877 54.906 53.050 -0.036 0.000 0.863 313 N CB -0.651 37.789 38.487 -0.078 0.000 0.983 313 N HN 0.716 nan 8.380 nan 0.000 0.429 314 I N 0.214 120.760 120.570 -0.040 0.000 2.286 314 I HA -0.146 4.023 4.170 -0.000 0.000 0.245 314 I C 1.881 177.973 176.117 -0.042 0.000 1.104 314 I CA 0.824 62.095 61.300 -0.048 0.000 1.397 314 I CB -0.242 37.717 38.000 -0.069 0.000 1.072 314 I HN 0.091 nan 8.210 nan 0.000 0.417 315 S N 0.233 115.911 115.700 -0.038 0.000 2.382 315 S HA -0.209 4.261 4.470 -0.000 0.000 0.228 315 S C 1.946 176.597 174.600 0.086 0.000 1.027 315 S CA 1.188 59.374 58.200 -0.023 0.000 0.991 315 S CB -0.265 62.937 63.200 0.004 0.000 0.823 315 S HN 0.466 nan 8.310 nan 0.000 0.469 316 Q N 0.753 120.596 119.800 0.073 0.000 2.124 316 Q HA -0.049 4.291 4.340 -0.000 0.000 0.202 316 Q C 2.527 178.553 176.000 0.042 0.000 0.977 316 Q CA 1.355 57.205 55.803 0.079 0.000 0.850 316 Q CB -0.370 28.409 28.738 0.069 0.000 0.901 316 Q HN 0.608 nan 8.270 nan 0.000 0.429 317 A N 0.932 123.767 122.820 0.024 0.000 1.933 317 A HA -0.102 4.218 4.320 -0.000 0.000 0.218 317 A C 2.262 179.864 177.584 0.029 0.000 1.175 317 A CA 1.594 53.639 52.037 0.013 0.000 0.628 317 A CB -1.054 17.945 19.000 -0.002 0.000 0.814 317 A HN 0.477 nan 8.150 nan 0.000 0.444 318 G N -0.447 108.396 108.800 0.071 0.000 2.421 318 G HA2 0.008 3.968 3.960 -0.000 0.000 0.216 318 G HA3 0.008 3.968 3.960 -0.000 0.000 0.216 318 G C 1.763 176.712 174.900 0.081 0.000 1.171 318 G CA 1.412 46.619 45.100 0.179 0.000 0.775 318 G HN 0.785 nan 8.290 nan 0.000 0.543 319 A N 0.365 123.169 122.820 -0.028 0.000 1.902 319 A HA 0.033 4.353 4.320 -0.000 0.000 0.217 319 A C 2.365 179.785 177.584 -0.273 0.000 1.181 319 A CA 1.667 53.396 52.037 -0.512 0.000 0.623 319 A CB -0.465 18.253 19.000 -0.471 0.000 0.818 319 A HN 0.403 nan 8.150 nan 0.000 0.443 320 L N -0.304 120.865 121.223 -0.089 0.000 2.079 320 L HA -0.109 4.231 4.340 -0.000 0.000 0.210 320 L C 2.685 179.533 176.870 -0.036 0.000 1.081 320 L CA 2.099 56.916 54.840 -0.038 0.000 0.752 320 L CB -0.567 41.485 42.059 -0.011 0.000 0.896 320 L HN 0.352 nan 8.230 nan 0.000 0.433 321 A N -1.885 120.916 122.820 -0.032 0.000 2.015 321 A HA -0.193 4.127 4.320 -0.000 0.000 0.219 321 A C 2.359 179.931 177.584 -0.021 0.000 1.163 321 A CA 1.478 53.506 52.037 -0.014 0.000 0.646 321 A CB -1.351 17.656 19.000 0.012 0.000 0.806 321 A HN 0.613 nan 8.150 nan 0.000 0.448 322 C N -0.689 118.572 119.300 -0.066 0.000 2.425 322 C HA -0.004 4.455 4.460 -0.000 0.000 0.277 322 C C 1.525 176.541 174.990 0.044 0.000 1.280 322 C CA 0.412 59.416 59.018 -0.022 0.000 1.744 322 C CB -1.268 26.416 27.740 -0.093 0.000 1.989 322 C HN 0.530 nan 8.230 nan 0.000 0.491 323 L N 1.929 123.165 121.223 0.023 0.000 2.865 323 L HA 0.219 4.559 4.340 -0.000 0.000 0.233 323 L C 0.522 177.366 176.870 -0.044 0.000 1.320 323 L CA 0.124 54.959 54.840 -0.010 0.000 1.225 323 L CB -1.067 40.987 42.059 -0.008 0.000 1.542 323 L HN 0.477 nan 8.230 nan 0.000 0.432 324 T N -5.094 109.440 114.554 -0.033 0.000 2.883 324 T HA 0.444 4.794 4.350 -0.000 0.000 0.296 324 T C -2.349 172.330 174.700 -0.035 0.000 1.117 324 T CA -1.749 60.330 62.100 -0.034 0.000 1.006 324 T CB 2.317 71.173 68.868 -0.020 0.000 1.191 324 T HN -0.243 nan 8.240 nan 0.000 0.508 325 P HA -0.072 nan 4.420 nan 0.000 0.215 325 P C 1.363 178.649 177.300 -0.022 0.000 1.157 325 P CA 1.114 64.192 63.100 -0.037 0.000 0.874 325 P CB 0.184 31.864 31.700 -0.034 0.000 0.790 326 E N -0.805 119.388 120.200 -0.012 0.000 2.106 326 E HA -0.110 4.240 4.350 -0.000 0.000 0.192 326 E C 2.183 178.790 176.600 0.012 0.000 0.984 326 E CA 1.229 57.630 56.400 0.001 0.000 0.806 326 E CB -0.814 28.889 29.700 0.004 0.000 0.750 326 E HN 0.136 nan 8.360 nan 0.000 0.458 327 G N 0.960 109.767 108.800 0.011 0.000 2.421 327 G HA2 -0.232 3.727 3.960 -0.000 0.000 0.216 327 G HA3 -0.232 3.727 3.960 -0.000 0.000 0.216 327 G C 1.536 176.461 174.900 0.041 0.000 1.171 327 G CA 0.573 45.688 45.100 0.026 0.000 0.775 327 G HN 0.178 nan 8.290 nan 0.000 0.543 328 L N 0.168 121.403 121.223 0.020 0.000 2.093 328 L HA -0.024 4.315 4.340 -0.000 0.000 0.208 328 L C 2.750 179.641 176.870 0.035 0.000 1.085 328 L CA 1.459 56.310 54.840 0.018 0.000 0.755 328 L CB -0.334 41.702 42.059 -0.040 0.000 0.904 328 L HN 0.374 nan 8.230 nan 0.000 0.435 329 E N 0.535 120.746 120.200 0.018 0.000 2.077 329 E HA -0.253 4.097 4.350 -0.000 0.000 0.193 329 E C 2.212 178.861 176.600 0.081 0.000 0.989 329 E CA 1.267 57.688 56.400 0.034 0.000 0.800 329 E CB 0.006 29.712 29.700 0.010 0.000 0.746 329 E HN 0.448 nan 8.360 nan 0.000 0.452 330 A N 0.959 123.816 122.820 0.062 0.000 1.898 330 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 330 A C 2.238 179.869 177.584 0.079 0.000 1.181 330 A CA 1.624 53.699 52.037 0.062 0.000 0.620 330 A CB -0.497 18.534 19.000 0.052 0.000 0.819 330 A HN 0.311 nan 8.150 nan 0.000 0.442 331 M N -1.545 118.113 119.600 0.097 0.000 2.117 331 M HA -0.162 4.317 4.480 -0.000 0.000 0.262 331 M C 2.290 178.639 176.300 0.083 0.000 1.065 331 M CA 1.757 57.125 55.300 0.113 0.000 1.114 331 M CB -0.686 31.999 32.600 0.142 0.000 1.361 331 M HN 0.657 nan 8.290 nan 0.000 0.408 332 H N 0.765 119.830 119.070 -0.009 0.000 2.352 332 H HA -0.185 4.371 4.556 -0.000 0.000 0.299 332 H C 2.061 177.385 175.328 -0.006 0.000 1.097 332 H CA 1.937 57.965 56.048 -0.033 0.000 1.311 332 H CB 0.048 29.791 29.762 -0.032 0.000 1.377 332 H HN 0.319 nan 8.280 nan 0.000 0.504 333 K N 0.131 120.555 120.400 0.041 0.000 2.025 333 K HA -0.081 4.239 4.320 -0.000 0.000 0.207 333 K C 2.305 178.895 176.600 -0.017 0.000 1.049 333 K CA 1.250 57.540 56.287 0.005 0.000 0.933 333 K CB 0.074 32.600 32.500 0.044 0.000 0.714 333 K HN 0.066 nan 8.250 nan 0.000 0.438 334 V N 1.533 121.443 119.914 -0.007 0.000 2.295 334 V HA -0.266 3.853 4.120 -0.000 0.000 0.246 334 V C 2.240 178.354 176.094 0.034 0.000 1.049 334 V CA 1.818 64.100 62.300 -0.030 0.000 1.024 334 V CB -0.352 31.495 31.823 0.040 0.000 0.648 334 V HN 0.323 nan 8.190 nan 0.000 0.447 335 I N 0.755 121.354 120.570 0.049 0.000 2.208 335 I HA -0.202 3.968 4.170 -0.000 0.000 0.245 335 I C 2.594 178.721 176.117 0.018 0.000 1.097 335 I CA 1.806 63.103 61.300 -0.006 0.000 1.363 335 I CB -0.925 36.849 38.000 -0.377 0.000 1.051 335 I HN 0.414 nan 8.210 nan 0.000 0.413 336 G N 0.461 109.193 108.800 -0.113 0.000 2.422 336 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.218 336 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.218 336 G C 1.605 176.535 174.900 0.050 0.000 1.146 336 G CA 0.589 45.637 45.100 -0.087 0.000 0.769 336 G HN 0.371 nan 8.290 nan 0.000 0.547 337 F N 0.575 120.485 119.950 -0.066 0.000 2.102 337 F HA -0.063 4.463 4.527 -0.000 0.000 0.298 337 F C 2.429 178.270 175.800 0.069 0.000 1.105 337 F CA 1.177 59.143 58.000 -0.057 0.000 1.239 337 F CB -0.199 38.690 39.000 -0.184 0.000 0.991 337 F HN 0.156 nan 8.300 nan 0.000 0.474 338 Y N 0.940 121.377 120.300 0.230 0.000 2.293 338 Y HA -0.112 4.437 4.550 -0.000 0.000 0.291 338 Y C 2.355 178.289 175.900 0.057 0.000 1.137 338 Y CA 1.242 59.450 58.100 0.179 0.000 1.202 338 Y CB -1.004 37.789 38.460 0.555 0.000 0.990 338 Y HN 0.085 nan 8.280 nan 0.000 0.537 339 K N -0.234 120.320 120.400 0.258 0.000 2.097 339 K HA -0.212 4.108 4.320 -0.000 0.000 0.206 339 K C 2.017 178.628 176.600 0.019 0.000 1.049 339 K CA 1.481 57.846 56.287 0.130 0.000 0.933 339 K CB -0.073 32.495 32.500 0.113 0.000 0.717 339 K HN 0.106 nan 8.250 nan 0.000 0.442 340 E N 1.559 121.737 120.200 -0.037 0.000 2.077 340 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 340 E C 1.505 178.041 176.600 -0.107 0.000 0.989 340 E CA 1.454 57.807 56.400 -0.079 0.000 0.800 340 E CB -0.163 29.473 29.700 -0.107 0.000 0.746 340 E HN 0.166 nan 8.360 nan 0.000 0.452 341 N N -0.337 118.256 118.700 -0.177 0.000 2.104 341 N HA -0.128 4.612 4.740 -0.000 0.000 0.190 341 N C 1.704 177.194 175.510 -0.033 0.000 1.024 341 N CA 1.925 54.906 53.050 -0.115 0.000 0.853 341 N CB -0.829 37.609 38.487 -0.081 0.000 1.008 341 N HN 0.242 nan 8.380 nan 0.000 0.424 342 T N 1.477 116.011 114.554 -0.033 0.000 2.746 342 T HA -0.056 4.294 4.350 -0.000 0.000 0.267 342 T C 1.527 176.220 174.700 -0.012 0.000 1.039 342 T CA 0.989 63.065 62.100 -0.040 0.000 1.142 342 T CB -0.237 68.579 68.868 -0.087 0.000 0.866 342 T HN 0.254 nan 8.240 nan 0.000 0.444 343 N N 1.302 119.995 118.700 -0.012 0.000 2.104 343 N HA 0.002 4.742 4.740 -0.000 0.000 0.190 343 N C 1.862 177.381 175.510 0.014 0.000 1.024 343 N CA 0.907 53.957 53.050 0.000 0.000 0.853 343 N CB -0.523 37.962 38.487 -0.003 0.000 1.008 343 N HN 0.396 nan 8.380 nan 0.000 0.424 344 I N 0.929 121.506 120.570 0.011 0.000 2.208 344 I HA -0.247 3.922 4.170 -0.000 0.000 0.245 344 I C 1.989 178.140 176.117 0.057 0.000 1.097 344 I CA 1.028 62.343 61.300 0.025 0.000 1.363 344 I CB -0.217 37.793 38.000 0.017 0.000 1.051 344 I HN 0.058 nan 8.210 nan 0.000 0.413 345 I N 0.389 121.011 120.570 0.087 0.000 2.252 345 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 345 I C 2.461 178.695 176.117 0.195 0.000 1.102 345 I CA 1.475 62.878 61.300 0.172 0.000 1.385 345 I CB -0.270 37.852 38.000 0.203 0.000 1.064 345 I HN 0.133 nan 8.210 nan 0.000 0.414 346 I N 0.859 121.497 120.570 0.114 0.000 2.163 346 I HA -0.340 3.830 4.170 -0.000 0.000 0.243 346 I C 2.111 178.278 176.117 0.085 0.000 1.085 346 I CA 1.530 62.885 61.300 0.092 0.000 1.347 346 I CB -0.506 37.513 38.000 0.033 0.000 1.044 346 I HN 0.243 nan 8.210 nan 0.000 0.408 347 D N 0.281 120.713 120.400 0.052 0.000 2.117 347 D HA -0.146 4.494 4.640 -0.000 0.000 0.197 347 D C 2.224 178.536 176.300 0.020 0.000 0.987 347 D CA 1.545 55.563 54.000 0.031 0.000 0.829 347 D CB -0.434 40.377 40.800 0.019 0.000 0.961 347 D HN 0.284 nan 8.370 nan 0.000 0.460 348 T N 0.300 114.855 114.554 0.003 0.000 2.652 348 T HA -0.141 4.208 4.350 -0.000 0.000 0.267 348 T C 1.790 176.398 174.700 -0.153 0.000 1.039 348 T CA 0.907 62.952 62.100 -0.091 0.000 1.153 348 T CB -0.444 68.337 68.868 -0.144 0.000 0.863 348 T HN 0.082 nan 8.240 nan 0.000 0.428 349 F N 1.433 121.372 119.950 -0.018 0.000 2.259 349 F HA -0.031 4.496 4.527 -0.000 0.000 0.298 349 F C 2.814 178.612 175.800 -0.002 0.000 1.088 349 F CA 0.815 58.774 58.000 -0.069 0.000 1.358 349 F CB -1.038 37.820 39.000 -0.237 0.000 1.040 349 F HN 0.101 nan 8.300 nan 0.000 0.505 350 T N -0.790 113.842 114.554 0.131 0.000 2.777 350 T HA -0.182 4.168 4.350 -0.000 0.000 0.266 350 T C 2.275 177.000 174.700 0.043 0.000 1.040 350 T CA 1.697 63.834 62.100 0.061 0.000 1.141 350 T CB -0.555 68.329 68.868 0.027 0.000 0.868 350 T HN 0.379 nan 8.240 nan 0.000 0.444 351 S N 1.496 117.216 115.700 0.033 0.000 2.447 351 S HA 0.066 4.536 4.470 -0.000 0.000 0.233 351 S C 1.864 176.482 174.600 0.030 0.000 1.006 351 S CA 0.615 58.826 58.200 0.018 0.000 0.957 351 S CB -0.676 62.527 63.200 0.005 0.000 0.773 351 S HN 0.437 nan 8.310 nan 0.000 0.507 352 L N 1.023 122.283 121.223 0.062 0.000 2.599 352 L HA 0.290 4.630 4.340 -0.000 0.000 0.230 352 L C 1.831 178.738 176.870 0.061 0.000 1.141 352 L CA 0.423 55.326 54.840 0.105 0.000 0.877 352 L CB -0.535 41.644 42.059 0.201 0.000 1.009 352 L HN 0.617 nan 8.230 nan 0.000 0.447 353 G N -1.390 107.421 108.800 0.018 0.000 2.141 353 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.242 353 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.242 353 G C -0.034 174.776 174.900 -0.149 0.000 0.982 353 G CA -0.444 44.640 45.100 -0.026 0.000 0.662 353 G HN 0.233 nan 8.290 nan 0.000 0.527 354 Y N 1.071 121.258 120.300 -0.188 0.000 2.301 354 Y HA 0.441 4.991 4.550 -0.000 0.000 0.328 354 Y C 0.786 176.549 175.900 -0.228 0.000 1.242 354 Y CA -0.489 57.414 58.100 -0.328 0.000 1.323 354 Y CB 0.657 38.817 38.460 -0.500 0.000 1.266 354 Y HN 0.039 nan 8.280 nan 0.000 0.527 355 D N 1.953 122.317 120.400 -0.061 0.000 2.343 355 D HA 0.254 4.894 4.640 -0.000 0.000 0.255 355 D C -0.922 175.189 176.300 -0.314 0.000 1.187 355 D CA 0.224 54.118 54.000 -0.177 0.000 0.875 355 D CB 1.061 41.845 40.800 -0.026 0.000 1.136 355 D HN 0.123 nan 8.370 nan 0.000 0.469 356 V N 3.801 123.431 119.914 -0.474 0.000 2.487 356 V HA 0.351 4.470 4.120 -0.000 0.000 0.298 356 V C -0.715 175.080 176.094 -0.498 0.000 1.028 356 V CA -0.828 61.260 62.300 -0.353 0.000 0.860 356 V CB 0.924 32.657 31.823 -0.151 0.000 0.991 356 V HN 0.343 nan 8.190 nan 0.000 0.427 357 Y N 1.839 122.227 120.300 0.147 0.000 2.549 357 Y HA 0.850 5.400 4.550 -0.000 0.000 0.339 357 Y C 0.927 176.859 175.900 0.054 0.000 1.053 357 Y CA 0.321 58.527 58.100 0.177 0.000 1.105 357 Y CB 1.919 40.590 38.460 0.352 0.000 1.258 357 Y HN 1.007 nan 8.280 nan 0.000 0.478 358 G N 0.411 109.292 108.800 0.135 0.000 2.593 358 G HA2 0.206 4.166 3.960 -0.000 0.000 0.237 358 G HA3 0.206 4.166 3.960 -0.000 0.000 0.237 358 G C 0.820 175.672 174.900 -0.080 0.000 1.312 358 G CA 0.206 45.274 45.100 -0.053 0.000 0.896 358 G HN 1.905 nan 8.290 nan 0.000 0.574 359 G N -1.483 107.197 108.800 -0.199 0.000 2.245 359 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.264 359 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.264 359 G C 1.280 176.104 174.900 -0.126 0.000 0.985 359 G CA 1.888 46.878 45.100 -0.183 0.000 0.625 359 G HN 1.752 nan 8.290 nan 0.000 0.536 360 K N 0.557 120.901 120.400 -0.093 0.000 2.098 360 K HA 0.157 4.477 4.320 -0.000 0.000 0.203 360 K C 1.610 178.188 176.600 -0.037 0.000 1.051 360 K CA 1.598 57.859 56.287 -0.042 0.000 0.957 360 K CB -0.087 32.407 32.500 -0.010 0.000 0.738 360 K HN 0.325 nan 8.250 nan 0.000 0.447 361 N N -0.231 118.422 118.700 -0.077 0.000 2.200 361 N HA 0.268 5.007 4.740 -0.000 0.000 0.224 361 N C -1.214 174.243 175.510 -0.089 0.000 1.179 361 N CA 0.373 53.404 53.050 -0.032 0.000 0.877 361 N CB 1.624 40.104 38.487 -0.012 0.000 1.072 361 N HN 0.192 nan 8.380 nan 0.000 0.519 362 A N 0.771 123.415 122.820 -0.293 0.000 2.608 362 A HA 0.532 4.852 4.320 -0.000 0.000 0.292 362 A C -2.762 174.281 177.584 -0.901 0.000 1.066 362 A CA -0.895 50.714 52.037 -0.713 0.000 0.676 362 A CB 1.648 19.919 19.000 -1.215 0.000 1.277 362 A HN -0.170 nan 8.150 nan 0.000 0.413 363 P HA 0.352 nan 4.420 nan 0.000 0.218 363 P C -1.323 175.501 177.300 -0.794 0.000 1.826 363 P CA 0.355 62.909 63.100 -0.910 0.000 0.946 363 P CB -1.066 29.933 31.700 -1.167 0.000 1.728 364 Y N -2.181 117.820 120.300 -0.498 0.000 2.656 364 Y HA 0.625 5.174 4.550 -0.000 0.000 0.334 364 Y C -0.874 174.878 175.900 -0.246 0.000 1.179 364 Y CA -2.052 55.823 58.100 -0.376 0.000 1.050 364 Y CB 0.762 38.966 38.460 -0.426 0.000 1.308 364 Y HN -0.118 nan 8.280 nan 0.000 0.456 365 V N -1.586 118.354 119.914 0.042 0.000 2.769 365 V HA 0.600 4.720 4.120 -0.000 0.000 0.312 365 V C -1.531 174.645 176.094 0.136 0.000 1.061 365 V CA -0.988 61.330 62.300 0.030 0.000 0.931 365 V CB 2.584 34.393 31.823 -0.023 0.000 1.010 365 V HN 1.087 nan 8.190 nan 0.000 0.433 366 W N 4.493 125.736 121.300 -0.096 0.000 2.393 366 W HA 0.712 5.371 4.660 -0.000 0.000 0.315 366 W C -1.893 174.694 176.519 0.114 0.000 1.009 366 W CA -0.720 56.600 57.345 -0.042 0.000 1.313 366 W CB 1.939 31.316 29.460 -0.138 0.000 1.269 366 W HN 0.627 nan 8.180 nan 0.000 0.420 367 V N 5.479 125.304 119.914 -0.149 0.000 2.398 367 V HA 0.089 4.209 4.120 -0.000 0.000 0.286 367 V C -0.094 175.856 176.094 -0.239 0.000 1.026 367 V CA -0.566 61.544 62.300 -0.318 0.000 0.868 367 V CB 1.256 32.603 31.823 -0.794 0.000 0.982 367 V HN 0.398 nan 8.190 nan 0.000 0.443 368 H N 4.487 123.336 119.070 -0.368 0.000 2.742 368 H HA 0.438 4.994 4.556 -0.000 0.000 0.302 368 H C -1.166 173.845 175.328 -0.529 0.000 1.069 368 H CA -0.779 54.887 56.048 -0.637 0.000 1.446 368 H CB 0.409 29.891 29.762 -0.467 0.000 1.462 368 H HN 0.458 nan 8.280 nan 0.000 0.499 369 F N 7.779 127.269 119.950 -0.768 0.000 2.307 369 F HA 0.277 4.804 4.527 -0.000 0.000 0.369 369 F C -1.974 173.431 175.800 -0.659 0.000 1.076 369 F CA -2.268 55.417 58.000 -0.526 0.000 1.149 369 F CB 0.959 39.747 39.000 -0.353 0.000 1.410 369 F HN 0.505 nan 8.300 nan 0.000 0.481 370 P HA -0.033 nan 4.420 nan 0.000 0.271 370 P C 0.088 177.299 177.300 -0.148 0.000 1.218 370 P CA 0.252 63.103 63.100 -0.415 0.000 0.780 370 P CB 0.729 32.269 31.700 -0.266 0.000 0.901 371 N N -0.230 118.416 118.700 -0.091 0.000 2.741 371 N HA -0.196 4.544 4.740 -0.000 0.000 0.251 371 N C -0.649 174.854 175.510 -0.012 0.000 1.112 371 N CA 0.847 53.878 53.050 -0.032 0.000 0.750 371 N CB -0.504 37.973 38.487 -0.017 0.000 1.119 371 N HN 0.628 nan 8.380 nan 0.000 0.561 372 Q N -0.255 119.532 119.800 -0.022 0.000 2.416 372 Q HA 0.400 4.740 4.340 -0.000 0.000 0.281 372 Q C -0.421 175.572 176.000 -0.013 0.000 1.067 372 Q CA -0.670 55.131 55.803 -0.004 0.000 0.809 372 Q CB 1.866 30.609 28.738 0.007 0.000 1.418 372 Q HN 0.236 nan 8.270 nan 0.000 0.411 373 S N -0.129 115.579 115.700 0.014 0.000 2.565 373 S HA 0.113 4.583 4.470 -0.000 0.000 0.276 373 S C 0.996 175.598 174.600 0.003 0.000 1.326 373 S CA 0.137 58.359 58.200 0.036 0.000 1.045 373 S CB 1.130 64.383 63.200 0.088 0.000 0.918 373 S HN 0.766 nan 8.310 nan 0.000 0.505 374 S N 2.426 118.111 115.700 -0.024 0.000 2.382 374 S HA -0.131 4.339 4.470 -0.000 0.000 0.228 374 S C 1.327 175.855 174.600 -0.120 0.000 1.027 374 S CA 0.669 58.789 58.200 -0.133 0.000 0.991 374 S CB -1.038 62.061 63.200 -0.170 0.000 0.823 374 S HN 0.897 nan 8.310 nan 0.000 0.469 375 W N 2.233 123.520 121.300 -0.021 0.000 2.363 375 W HA 0.004 4.664 4.660 -0.000 0.000 0.296 375 W C 2.013 178.573 176.519 0.070 0.000 1.212 375 W CA 0.735 58.081 57.345 0.002 0.000 1.260 375 W CB -0.218 29.215 29.460 -0.045 0.000 1.131 375 W HN 0.284 nan 8.180 nan 0.000 0.530 376 D N -0.442 120.094 120.400 0.227 0.000 2.117 376 D HA -0.148 4.492 4.640 -0.000 0.000 0.198 376 D C 2.277 178.612 176.300 0.058 0.000 0.982 376 D CA 1.312 55.394 54.000 0.135 0.000 0.828 376 D CB -0.689 40.158 40.800 0.078 0.000 0.967 376 D HN -0.031 nan 8.370 nan 0.000 0.464 377 V N 1.025 120.911 119.914 -0.047 0.000 2.295 377 V HA -0.227 3.893 4.120 -0.000 0.000 0.246 377 V C 2.181 178.188 176.094 -0.146 0.000 1.049 377 V CA 1.345 63.512 62.300 -0.221 0.000 1.024 377 V CB -0.660 30.796 31.823 -0.613 0.000 0.648 377 V HN 0.121 nan 8.190 nan 0.000 0.447 378 F N 1.816 121.646 119.950 -0.201 0.000 2.091 378 F HA -0.264 4.263 4.527 -0.000 0.000 0.299 378 F C 2.259 178.045 175.800 -0.023 0.000 1.103 378 F CA 1.940 59.864 58.000 -0.127 0.000 1.228 378 F CB -0.524 38.388 39.000 -0.146 0.000 0.984 378 F HN 0.073 nan 8.300 nan 0.000 0.477 379 A N -0.289 122.597 122.820 0.110 0.000 1.930 379 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 379 A C 2.226 179.757 177.584 -0.089 0.000 1.175 379 A CA 1.625 53.672 52.037 0.018 0.000 0.627 379 A CB -0.991 18.134 19.000 0.207 0.000 0.815 379 A HN 0.631 nan 8.150 nan 0.000 0.443 380 E N -0.068 120.098 120.200 -0.057 0.000 2.047 380 E HA -0.154 4.196 4.350 -0.000 0.000 0.191 380 E C 1.863 178.401 176.600 -0.105 0.000 0.987 380 E CA 1.234 57.601 56.400 -0.055 0.000 0.799 380 E CB -0.228 29.463 29.700 -0.015 0.000 0.752 380 E HN 0.645 nan 8.360 nan 0.000 0.449 381 I N 0.744 121.238 120.570 -0.127 0.000 2.226 381 I HA -0.253 3.917 4.170 -0.000 0.000 0.245 381 I C 2.531 178.518 176.117 -0.218 0.000 1.100 381 I CA 0.536 61.778 61.300 -0.097 0.000 1.374 381 I CB -0.229 37.767 38.000 -0.006 0.000 1.057 381 I HN 0.268 nan 8.210 nan 0.000 0.413 382 L N 1.143 122.137 121.223 -0.382 0.000 2.017 382 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 382 L C 2.425 179.037 176.870 -0.429 0.000 1.073 382 L CA 2.009 56.550 54.840 -0.498 0.000 0.745 382 L CB -0.696 40.947 42.059 -0.694 0.000 0.894 382 L HN 0.177 nan 8.230 nan 0.000 0.432 383 E N -0.088 119.993 120.200 -0.198 0.000 2.077 383 E HA -0.226 4.124 4.350 -0.000 0.000 0.193 383 E C 2.114 178.605 176.600 -0.182 0.000 0.989 383 E CA 1.826 58.229 56.400 0.005 0.000 0.800 383 E CB -0.088 29.648 29.700 0.060 0.000 0.746 383 E HN 0.521 nan 8.360 nan 0.000 0.452 384 K N -1.258 119.006 120.400 -0.226 0.000 2.211 384 K HA 0.050 4.369 4.320 -0.000 0.000 0.201 384 K C 1.773 178.177 176.600 -0.327 0.000 1.052 384 K CA 1.410 57.555 56.287 -0.238 0.000 0.973 384 K CB 0.320 32.731 32.500 -0.148 0.000 0.766 384 K HN 0.297 nan 8.250 nan 0.000 0.466 385 T N -3.290 111.058 114.554 -0.343 0.000 3.003 385 T HA 0.049 4.399 4.350 -0.000 0.000 0.261 385 T C 0.124 174.720 174.700 -0.173 0.000 1.003 385 T CA -0.364 61.598 62.100 -0.230 0.000 0.917 385 T CB 0.040 68.810 68.868 -0.164 0.000 1.084 385 T HN 0.194 nan 8.240 nan 0.000 0.522 386 H N -0.087 118.914 119.070 -0.114 0.000 2.820 386 H HA -0.103 4.453 4.556 -0.000 0.000 0.295 386 H C -0.569 174.667 175.328 -0.152 0.000 1.187 386 H CA 0.622 56.585 56.048 -0.142 0.000 1.144 386 H CB -2.470 27.315 29.762 0.038 0.000 1.354 386 H HN 0.383 nan 8.280 nan 0.000 0.395 387 V N 1.366 121.209 119.914 -0.117 0.000 2.459 387 V HA 0.319 4.439 4.120 -0.000 0.000 0.295 387 V C 0.822 176.870 176.094 -0.076 0.000 1.029 387 V CA -0.836 61.424 62.300 -0.067 0.000 0.874 387 V CB 2.346 34.111 31.823 -0.096 0.000 0.985 387 V HN 0.096 nan 8.190 nan 0.000 0.438 388 V N 4.749 124.657 119.914 -0.010 0.000 2.498 388 V HA 0.584 4.704 4.120 -0.000 0.000 0.279 388 V C 0.633 176.820 176.094 0.155 0.000 1.048 388 V CA -0.066 62.251 62.300 0.028 0.000 0.967 388 V CB 1.212 33.114 31.823 0.132 0.000 0.988 388 V HN 1.089 nan 8.190 nan 0.000 0.473 389 T N 0.895 115.579 114.554 0.216 0.000 2.724 389 T HA 0.623 4.973 4.350 -0.000 0.000 0.274 389 T C -0.327 174.581 174.700 0.347 0.000 0.984 389 T CA -0.754 61.499 62.100 0.256 0.000 1.024 389 T CB 2.012 70.977 68.868 0.161 0.000 1.320 389 T HN 0.499 nan 8.240 nan 0.000 0.555 390 T N 3.138 117.811 114.554 0.198 0.000 2.809 390 T HA 0.556 4.906 4.350 -0.000 0.000 0.284 390 T C -2.849 171.810 174.700 -0.069 0.000 0.992 390 T CA -1.177 60.952 62.100 0.047 0.000 0.957 390 T CB 1.496 70.487 68.868 0.206 0.000 0.942 390 T HN 0.550 nan 8.240 nan 0.000 0.439 391 P HA 0.129 nan 4.420 nan 0.000 0.267 391 P C 1.103 178.279 177.300 -0.207 0.000 1.205 391 P CA -0.035 62.738 63.100 -0.545 0.000 0.765 391 P CB 0.775 31.622 31.700 -1.421 0.000 0.828 392 G N 3.105 111.920 108.800 0.024 0.000 2.450 392 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.220 392 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.220 392 G C 1.546 176.665 174.900 0.364 0.000 1.130 392 G CA 0.937 46.286 45.100 0.416 0.000 0.760 392 G HN 0.599 nan 8.290 nan 0.000 0.557 393 S N 0.452 116.195 115.700 0.072 0.000 2.469 393 S HA 0.066 4.536 4.470 -0.000 0.000 0.238 393 S C 2.341 176.947 174.600 0.010 0.000 0.998 393 S CA 1.206 59.455 58.200 0.081 0.000 0.957 393 S CB -0.464 62.786 63.200 0.083 0.000 0.764 393 S HN 0.399 nan 8.310 nan 0.000 0.514 394 G N 0.206 108.880 108.800 -0.211 0.000 2.509 394 G HA2 0.012 3.972 3.960 -0.000 0.000 0.218 394 G HA3 0.012 3.972 3.960 -0.000 0.000 0.218 394 G C 0.654 175.234 174.900 -0.534 0.000 1.124 394 G CA 0.249 45.083 45.100 -0.444 0.000 0.776 394 G HN 0.624 nan 8.290 nan 0.000 0.547 395 F N 0.843 120.742 119.950 -0.086 0.000 2.641 395 F HA 0.460 4.987 4.527 -0.000 0.000 0.302 395 F C 1.359 177.177 175.800 0.030 0.000 1.098 395 F CA 0.309 58.269 58.000 -0.067 0.000 1.318 395 F CB 0.538 39.470 39.000 -0.112 0.000 1.035 395 F HN 0.308 nan 8.300 nan 0.000 0.551 396 G N 0.844 109.766 108.800 0.203 0.000 2.497 396 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.686 396 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.686 396 G C -2.298 172.713 174.900 0.184 0.000 1.288 396 G CA -0.740 44.502 45.100 0.237 0.000 0.899 396 G HN -0.142 nan 8.290 nan 0.000 0.608 397 P HA -0.035 nan 4.420 nan 0.000 0.218 397 P C 1.884 179.254 177.300 0.116 0.000 1.149 397 P CA 1.913 65.046 63.100 0.055 0.000 0.817 397 P CB -0.179 31.465 31.700 -0.093 0.000 0.785 398 G N -0.107 108.774 108.800 0.135 0.000 2.625 398 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.214 398 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.214 398 G C 1.579 176.649 174.900 0.283 0.000 1.132 398 G CA 0.667 45.872 45.100 0.175 0.000 0.782 398 G HN 0.422 nan 8.290 nan 0.000 0.538 399 G N -0.373 108.628 108.800 0.334 0.000 2.838 399 G HA2 0.162 4.122 3.960 -0.000 0.000 0.210 399 G HA3 0.162 4.122 3.960 -0.000 0.000 0.210 399 G C 0.539 175.702 174.900 0.438 0.000 1.153 399 G CA -0.086 45.331 45.100 0.529 0.000 0.778 399 G HN 0.393 nan 8.290 nan 0.000 0.539 400 E N 0.510 120.895 120.200 0.308 0.000 2.452 400 E HA 0.364 4.714 4.350 -0.000 0.000 0.261 400 E C 1.368 178.107 176.600 0.232 0.000 0.987 400 E CA 0.921 57.449 56.400 0.212 0.000 0.926 400 E CB 0.195 29.984 29.700 0.149 0.000 0.934 400 E HN 0.436 nan 8.360 nan 0.000 0.452 401 G N 2.864 111.708 108.800 0.074 0.000 2.176 401 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.253 401 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.253 401 G C -0.079 174.631 174.900 -0.318 0.000 0.979 401 G CA 0.181 45.219 45.100 -0.103 0.000 0.641 401 G HN 0.360 nan 8.290 nan 0.000 0.530 402 F N -0.816 119.000 119.950 -0.223 0.000 2.598 402 F HA 0.785 5.312 4.527 -0.000 0.000 0.327 402 F C 0.274 175.772 175.800 -0.502 0.000 1.057 402 F CA -1.193 56.469 58.000 -0.563 0.000 0.957 402 F CB 2.378 40.427 39.000 -1.585 0.000 1.278 402 F HN 0.003 nan 8.300 nan 0.000 0.484 403 V N 1.842 121.598 119.914 -0.263 0.000 2.638 403 V HA 0.464 4.584 4.120 -0.000 0.000 0.306 403 V C -0.552 175.505 176.094 -0.062 0.000 1.052 403 V CA -1.002 61.199 62.300 -0.165 0.000 0.885 403 V CB 2.001 33.674 31.823 -0.250 0.000 0.999 403 V HN 0.663 nan 8.190 nan 0.000 0.424 404 R N 2.939 123.524 120.500 0.140 0.000 2.297 404 R HA 0.715 5.055 4.340 -0.000 0.000 0.308 404 R C -1.471 174.874 176.300 0.076 0.000 1.029 404 R CA -0.301 55.911 56.100 0.186 0.000 0.929 404 R CB 1.560 31.939 30.300 0.133 0.000 1.046 404 R HN 0.540 nan 8.270 nan 0.000 0.461 405 V N 3.318 123.254 119.914 0.037 0.000 2.409 405 V HA 0.185 4.305 4.120 -0.000 0.000 0.291 405 V C 0.151 176.286 176.094 0.067 0.000 1.020 405 V CA -0.664 61.675 62.300 0.065 0.000 0.848 405 V CB 1.512 33.365 31.823 0.050 0.000 0.990 405 V HN 0.832 nan 8.190 nan 0.000 0.430 406 S N 3.571 119.309 115.700 0.065 0.000 2.565 406 S HA 0.487 4.957 4.470 -0.000 0.000 0.276 406 S C 1.113 175.679 174.600 -0.057 0.000 1.326 406 S CA 0.194 58.374 58.200 -0.034 0.000 1.045 406 S CB 1.395 64.598 63.200 0.005 0.000 0.918 406 S HN 1.029 nan 8.310 nan 0.000 0.505 407 A N 4.575 127.248 122.820 -0.244 0.000 2.275 407 A HA 0.344 4.664 4.320 -0.000 0.000 0.212 407 A C 0.007 177.544 177.584 -0.079 0.000 1.201 407 A CA -0.250 51.696 52.037 -0.152 0.000 0.843 407 A CB -0.268 18.624 19.000 -0.180 0.000 0.873 407 A HN 0.679 nan 8.150 nan 0.000 0.492 408 F N 0.884 120.793 119.950 -0.068 0.000 2.494 408 F HA 0.505 5.032 4.527 -0.000 0.000 0.369 408 F C 1.039 176.892 175.800 0.090 0.000 1.098 408 F CA -0.071 57.845 58.000 -0.141 0.000 1.154 408 F CB 0.364 39.200 39.000 -0.274 0.000 1.103 408 F HN 0.194 nan 8.300 nan 0.000 0.549 409 G N 2.121 111.209 108.800 0.479 0.000 2.489 409 G HA2 0.233 4.193 3.960 -0.000 0.000 0.291 409 G HA3 0.233 4.193 3.960 -0.000 0.000 0.291 409 G C -1.649 173.534 174.900 0.470 0.000 1.487 409 G CA -1.041 44.245 45.100 0.311 0.000 0.795 409 G HN 0.394 nan 8.290 nan 0.000 0.513 410 H N 0.291 119.579 119.070 0.364 0.000 2.871 410 H HA 0.156 4.712 4.556 -0.000 0.000 0.355 410 H C 1.707 177.244 175.328 0.349 0.000 1.092 410 H CA 0.092 56.353 56.048 0.356 0.000 1.420 410 H CB 1.374 31.260 29.762 0.206 0.000 1.400 410 H HN 0.641 nan 8.280 nan 0.000 0.604 411 R N 1.745 122.583 120.500 0.564 0.000 2.103 411 R HA -0.145 4.195 4.340 -0.000 0.000 0.242 411 R C 1.493 177.917 176.300 0.206 0.000 1.142 411 R CA 1.561 57.858 56.100 0.328 0.000 0.960 411 R CB -0.107 30.395 30.300 0.336 0.000 0.858 411 R HN 0.579 nan 8.270 nan 0.000 0.439 412 E N 0.273 120.594 120.200 0.203 0.000 2.153 412 E HA -0.120 4.230 4.350 -0.000 0.000 0.194 412 E C 1.570 178.244 176.600 0.122 0.000 0.988 412 E CA 0.916 57.396 56.400 0.134 0.000 0.811 412 E CB -0.325 29.441 29.700 0.111 0.000 0.746 412 E HN 0.391 nan 8.360 nan 0.000 0.466 413 N N 0.624 119.425 118.700 0.168 0.000 2.216 413 N HA -0.077 4.663 4.740 -0.000 0.000 0.183 413 N C 1.829 177.390 175.510 0.085 0.000 1.017 413 N CA 0.539 53.662 53.050 0.121 0.000 0.861 413 N CB -0.126 38.445 38.487 0.140 0.000 0.986 413 N HN 0.149 nan 8.380 nan 0.000 0.428 414 I N 1.316 121.955 120.570 0.115 0.000 2.179 414 I HA -0.186 3.984 4.170 -0.000 0.000 0.242 414 I C 2.226 178.374 176.117 0.051 0.000 1.088 414 I CA 0.808 62.162 61.300 0.090 0.000 1.357 414 I CB -1.120 36.935 38.000 0.093 0.000 1.051 414 I HN 0.097 nan 8.210 nan 0.000 0.409 415 L N 0.310 121.564 121.223 0.051 0.000 2.012 415 L HA -0.237 4.102 4.340 -0.000 0.000 0.210 415 L C 2.628 179.495 176.870 -0.004 0.000 1.073 415 L CA 1.527 56.383 54.840 0.028 0.000 0.748 415 L CB -0.568 41.513 42.059 0.038 0.000 0.891 415 L HN 0.215 nan 8.230 nan 0.000 0.431 416 E N 0.524 120.721 120.200 -0.005 0.000 2.077 416 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 416 E C 2.098 178.626 176.600 -0.121 0.000 0.989 416 E CA 1.535 57.911 56.400 -0.040 0.000 0.800 416 E CB -0.145 29.546 29.700 -0.015 0.000 0.746 416 E HN 0.355 nan 8.360 nan 0.000 0.452 417 A N -0.028 122.700 122.820 -0.154 0.000 1.908 417 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 417 A C 2.592 179.843 177.584 -0.556 0.000 1.181 417 A CA 1.631 53.434 52.037 -0.390 0.000 0.627 417 A CB -1.093 17.737 19.000 -0.282 0.000 0.818 417 A HN 0.518 nan 8.150 nan 0.000 0.445 418 C N -0.637 118.553 119.300 -0.185 0.000 2.440 418 C HA -0.045 4.415 4.460 -0.000 0.000 0.278 418 C C 2.895 177.850 174.990 -0.059 0.000 1.295 418 C CA 1.119 60.124 59.018 -0.021 0.000 1.738 418 C CB -1.302 26.465 27.740 0.046 0.000 1.987 418 C HN 0.843 nan 8.230 nan 0.000 0.492 419 R N 1.463 121.915 120.500 -0.080 0.000 2.096 419 R HA -0.072 4.268 4.340 -0.000 0.000 0.235 419 R C 2.080 178.333 176.300 -0.077 0.000 1.127 419 R CA 1.538 57.604 56.100 -0.056 0.000 0.968 419 R CB -0.524 29.753 30.300 -0.039 0.000 0.861 419 R HN 0.451 nan 8.270 nan 0.000 0.440 420 R N -0.350 120.052 120.500 -0.163 0.000 2.075 420 R HA -0.045 4.295 4.340 -0.000 0.000 0.232 420 R C 2.008 178.236 176.300 -0.119 0.000 1.126 420 R CA 1.575 57.568 56.100 -0.177 0.000 0.963 420 R CB -0.399 29.743 30.300 -0.264 0.000 0.858 420 R HN 0.207 nan 8.270 nan 0.000 0.435 421 F N 1.499 121.410 119.950 -0.064 0.000 2.134 421 F HA -0.136 4.391 4.527 -0.000 0.000 0.299 421 F C 2.191 177.974 175.800 -0.028 0.000 1.097 421 F CA 1.172 59.138 58.000 -0.057 0.000 1.264 421 F CB -0.482 38.410 39.000 -0.181 0.000 1.001 421 F HN -0.098 nan 8.300 nan 0.000 0.479 422 K N -0.123 120.351 120.400 0.123 0.000 2.057 422 K HA -0.232 4.088 4.320 -0.000 0.000 0.207 422 K C 2.133 178.761 176.600 0.045 0.000 1.049 422 K CA 1.498 57.827 56.287 0.069 0.000 0.931 422 K CB -0.397 32.109 32.500 0.011 0.000 0.714 422 K HN 0.326 nan 8.250 nan 0.000 0.440 423 Q N 0.935 120.745 119.800 0.017 0.000 2.084 423 Q HA -0.175 4.165 4.340 -0.000 0.000 0.202 423 Q C 2.168 178.187 176.000 0.032 0.000 0.978 423 Q CA 1.083 56.895 55.803 0.014 0.000 0.844 423 Q CB 0.002 28.742 28.738 0.005 0.000 0.898 423 Q HN 0.179 nan 8.270 nan 0.000 0.426 424 L N -0.388 120.816 121.223 -0.032 0.000 2.056 424 L HA -0.152 4.188 4.340 -0.000 0.000 0.207 424 L C 1.258 178.116 176.870 -0.019 0.000 1.078 424 L CA 1.814 56.569 54.840 -0.142 0.000 0.749 424 L CB -0.345 41.444 42.059 -0.449 0.000 0.901 424 L HN 0.275 nan 8.230 nan 0.000 0.433 425 Y N -0.764 119.683 120.300 0.244 0.000 2.458 425 Y HA 0.106 4.656 4.550 -0.000 0.000 0.254 425 Y C 2.154 178.186 175.900 0.219 0.000 1.120 425 Y CA 0.438 58.731 58.100 0.321 0.000 1.282 425 Y CB -0.440 38.236 38.460 0.360 0.000 1.109 425 Y HN 0.283 nan 8.280 nan 0.000 0.526 426 K N -0.638 119.856 120.400 0.156 0.000 2.147 426 K HA -0.145 4.175 4.320 -0.000 0.000 0.205 426 K C 0.786 177.256 176.600 -0.217 0.000 1.049 426 K CA 1.952 58.191 56.287 -0.080 0.000 0.936 426 K CB -0.409 31.939 32.500 -0.254 0.000 0.722 426 K HN 0.277 nan 8.250 nan 0.000 0.446 427 H N -0.425 118.629 119.070 -0.027 0.000 2.524 427 H HA 0.157 4.713 4.556 -0.000 0.000 0.280 427 H C 0.296 175.350 175.328 -0.456 0.000 1.018 427 H CA 0.372 56.272 56.048 -0.248 0.000 1.165 427 H CB 0.153 29.721 29.762 -0.322 0.000 1.411 427 H HN 0.484 nan 8.280 nan 0.000 0.569 428 H N -1.215 117.947 119.070 0.154 0.000 4.375 428 H HA 0.105 4.661 4.556 -0.000 0.000 0.127 428 H C 1.197 176.477 175.328 -0.081 0.000 1.246 428 H CA -0.206 55.902 56.048 0.100 0.000 1.022 428 H CB 0.295 30.177 29.762 0.200 0.000 1.472 428 H HN 0.286 nan 8.280 nan 0.000 0.308 429 H N 0.000 119.131 119.070 0.101 0.000 2.539 429 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 429 H CA 0.000 56.178 56.048 0.216 0.000 1.023 429 H CB 0.000 29.721 29.762 -0.069 0.000 1.292 429 H HN 0.000 nan 8.280 nan 0.000 0.496