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 1xwf_1_A DATA FIRST_RESID 2 DATA SEQUENCE DKLPYKVADI GLAAWGRKAL DIAENEMPGL MRMREMYSAS KPLKGARIAG DATA SEQUENCE CLHMTVETAV LIETLVALGA EVRWSSCNIF STQDHAAAAI AKAGIPVFAW DATA SEQUENCE KGETDEEYLW CIEQTLHFKD GPLNMILDDG GDLTNLIHTK HPQLLSGIRG DATA SEQUENCE ISEETTTGVH NLYKMMANGI LKVPAINVND SVTNSKFDNL YGCRESLIDG DATA SEQUENCE IKRATDVMIA GKVAVVAGYG DVGKGCAQAL RGFGARVIIT EIDPINALQA DATA SEQUENCE AMEGYEVTTM DEACKEGNIF VTTTGCVDII LGRHFEQMKD DAIVCNIGHF DATA SEQUENCE DVEIDVKWLN ENAVEKVNIK PQVDRYLLKN GHRIILLAEG RLVNLGCAMG DATA SEQUENCE HPSFVMSNSF TNQVMAQIEL WTHPDKYPVG VHFLPKKLDE AVAEAHLGKL DATA SEQUENCE NVKLTKLTEK QAQYLGMPIN GPFKPDHYRY 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 2 D HA 0.000 nan 4.640 nan 0.000 0.175 2 D C 0.000 176.361 176.300 0.102 0.000 2.045 2 D CA 0.000 54.090 54.000 0.150 0.000 0.868 2 D CB 0.000 40.867 40.800 0.112 0.000 0.688 3 K N 0.980 121.431 120.400 0.085 0.000 2.981 3 K HA 0.390 4.709 4.320 -0.000 0.000 0.213 3 K C -0.356 176.297 176.600 0.088 0.000 1.154 3 K CA -0.134 56.189 56.287 0.060 0.000 1.111 3 K CB 0.205 32.724 32.500 0.031 0.000 0.975 3 K HN 0.153 nan 8.250 nan 0.000 0.462 4 L N 1.549 122.868 121.223 0.161 0.000 2.467 4 L HA 0.129 4.469 4.340 -0.000 0.000 0.270 4 L C -0.831 176.129 176.870 0.150 0.000 1.205 4 L CA -1.013 53.918 54.840 0.152 0.000 0.828 4 L CB 0.366 42.590 42.059 0.276 0.000 1.101 4 L HN 0.174 nan 8.230 nan 0.000 0.479 5 P HA 0.012 nan 4.420 nan 0.000 0.234 5 P C -0.967 176.338 177.300 0.009 0.000 1.175 5 P CA 0.801 63.920 63.100 0.032 0.000 0.801 5 P CB 0.350 32.067 31.700 0.029 0.000 0.891 6 Y N -3.615 116.517 120.300 -0.280 0.000 2.717 6 Y HA 0.710 5.259 4.550 -0.000 0.000 0.345 6 Y C -1.480 174.178 175.900 -0.403 0.000 1.187 6 Y CA -1.802 55.872 58.100 -0.710 0.000 1.128 6 Y CB 0.158 38.373 38.460 -0.408 0.000 1.360 6 Y HN -0.368 nan 8.280 nan 0.000 0.467 7 K N 2.525 122.808 120.400 -0.195 0.000 2.723 7 K HA 0.642 4.962 4.320 -0.000 0.000 0.229 7 K C -1.782 175.082 176.600 0.439 0.000 1.022 7 K CA -0.319 56.122 56.287 0.258 0.000 1.045 7 K CB 1.098 34.020 32.500 0.703 0.000 1.227 7 K HN 1.066 nan 8.250 nan 0.000 0.516 8 V N 0.489 120.616 119.914 0.355 0.000 3.103 8 V HA 0.841 4.961 4.120 -0.000 0.000 0.318 8 V C 1.232 177.448 176.094 0.205 0.000 1.114 8 V CA -0.210 62.287 62.300 0.328 0.000 1.020 8 V CB 1.401 33.335 31.823 0.185 0.000 1.085 8 V HN 0.476 nan 8.190 nan 0.000 0.446 9 A N 0.423 123.365 122.820 0.203 0.000 1.829 9 A HA -0.062 4.258 4.320 -0.000 0.000 0.216 9 A C 1.024 178.637 177.584 0.049 0.000 1.207 9 A CA 2.207 54.288 52.037 0.074 0.000 0.622 9 A CB -0.582 18.500 19.000 0.137 0.000 0.846 9 A HN 1.115 nan 8.150 nan 0.000 0.447 10 D N -1.698 118.752 120.400 0.083 0.000 2.686 10 D HA 0.305 4.945 4.640 -0.000 0.000 0.249 10 D C 0.338 176.686 176.300 0.081 0.000 1.260 10 D CA -0.547 53.499 54.000 0.076 0.000 0.910 10 D CB 1.412 42.258 40.800 0.077 0.000 1.323 10 D HN 0.046 nan 8.370 nan 0.000 0.561 11 I N 4.228 124.850 120.570 0.088 0.000 2.315 11 I HA -0.114 4.056 4.170 -0.000 0.000 0.251 11 I C 2.216 178.361 176.117 0.048 0.000 1.125 11 I CA 2.017 63.352 61.300 0.059 0.000 1.392 11 I CB -0.151 37.909 38.000 0.100 0.000 1.065 11 I HN 0.659 nan 8.210 nan 0.000 0.424 12 G N 0.799 109.639 108.800 0.067 0.000 2.529 12 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.219 12 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.219 12 G C 1.527 176.489 174.900 0.103 0.000 1.177 12 G CA 0.981 46.126 45.100 0.076 0.000 0.773 12 G HN 0.368 nan 8.290 nan 0.000 0.573 13 L N 1.338 122.642 121.223 0.134 0.000 2.283 13 L HA -0.221 4.119 4.340 -0.000 0.000 0.217 13 L C 3.266 180.231 176.870 0.158 0.000 1.104 13 L CA 1.677 56.638 54.840 0.201 0.000 0.772 13 L CB -1.654 40.514 42.059 0.181 0.000 0.899 13 L HN 0.388 nan 8.230 nan 0.000 0.439 14 A N 0.540 123.404 122.820 0.073 0.000 1.882 14 A HA -0.337 3.983 4.320 -0.000 0.000 0.220 14 A C 2.604 180.233 177.584 0.076 0.000 1.253 14 A CA 2.910 54.964 52.037 0.027 0.000 0.664 14 A CB -1.010 17.982 19.000 -0.013 0.000 0.838 14 A HN 0.443 nan 8.150 nan 0.000 0.460 15 A N -2.043 120.839 122.820 0.103 0.000 1.954 15 A HA -0.286 4.034 4.320 -0.000 0.000 0.222 15 A C 1.995 179.704 177.584 0.209 0.000 1.199 15 A CA 2.409 54.520 52.037 0.123 0.000 0.657 15 A CB -1.009 18.058 19.000 0.111 0.000 0.823 15 A HN 1.150 nan 8.150 nan 0.000 0.463 16 W N 0.414 121.740 121.300 0.045 0.000 2.481 16 W HA 0.155 4.815 4.660 -0.000 0.000 0.293 16 W C 2.129 178.732 176.519 0.139 0.000 1.201 16 W CA 0.997 58.375 57.345 0.055 0.000 1.328 16 W CB -0.968 28.501 29.460 0.015 0.000 1.112 16 W HN 0.210 nan 8.180 nan 0.000 0.546 17 G N 0.989 109.820 108.800 0.052 0.000 2.440 17 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.218 17 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.218 17 G C 1.614 176.497 174.900 -0.027 0.000 1.154 17 G CA 1.358 46.421 45.100 -0.062 0.000 0.767 17 G HN 0.212 nan 8.290 nan 0.000 0.552 18 R N 0.933 121.446 120.500 0.023 0.000 2.096 18 R HA 0.057 4.397 4.340 -0.000 0.000 0.235 18 R C 2.403 178.740 176.300 0.061 0.000 1.127 18 R CA 1.393 57.506 56.100 0.022 0.000 0.968 18 R CB -0.519 29.797 30.300 0.026 0.000 0.861 18 R HN 0.366 nan 8.270 nan 0.000 0.440 19 K N -0.463 120.016 120.400 0.132 0.000 2.032 19 K HA -0.108 4.212 4.320 -0.000 0.000 0.209 19 K C 2.012 178.693 176.600 0.135 0.000 1.048 19 K CA 1.674 58.056 56.287 0.158 0.000 0.927 19 K CB -0.261 32.400 32.500 0.268 0.000 0.712 19 K HN 0.254 nan 8.250 nan 0.000 0.441 20 A N 1.546 124.449 122.820 0.139 0.000 1.877 20 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 20 A C 2.074 179.685 177.584 0.045 0.000 1.186 20 A CA 1.214 53.314 52.037 0.104 0.000 0.620 20 A CB -0.729 18.333 19.000 0.104 0.000 0.822 20 A HN 0.177 nan 8.150 nan 0.000 0.443 21 L N -0.341 120.883 121.223 0.002 0.000 2.261 21 L HA -0.208 4.132 4.340 -0.000 0.000 0.216 21 L C 1.888 178.762 176.870 0.006 0.000 1.114 21 L CA 1.382 56.211 54.840 -0.018 0.000 0.777 21 L CB -0.899 41.130 42.059 -0.050 0.000 0.910 21 L HN 0.437 nan 8.230 nan 0.000 0.440 22 D N 0.465 120.881 120.400 0.026 0.000 2.091 22 D HA -0.107 4.532 4.640 -0.000 0.000 0.199 22 D C 2.235 178.558 176.300 0.039 0.000 0.980 22 D CA 1.120 55.138 54.000 0.030 0.000 0.831 22 D CB 0.171 40.995 40.800 0.039 0.000 0.987 22 D HN 0.224 nan 8.370 nan 0.000 0.460 23 I N 1.729 122.330 120.570 0.052 0.000 2.226 23 I HA -0.234 3.936 4.170 -0.000 0.000 0.245 23 I C 2.493 178.644 176.117 0.056 0.000 1.100 23 I CA 0.956 62.290 61.300 0.057 0.000 1.374 23 I CB -0.257 37.786 38.000 0.073 0.000 1.057 23 I HN -0.094 nan 8.210 nan 0.000 0.413 24 A N -0.346 122.505 122.820 0.052 0.000 1.933 24 A HA -0.235 4.085 4.320 -0.000 0.000 0.218 24 A C 2.242 179.855 177.584 0.048 0.000 1.175 24 A CA 1.697 53.764 52.037 0.051 0.000 0.628 24 A CB -0.674 18.348 19.000 0.035 0.000 0.814 24 A HN 0.465 nan 8.150 nan 0.000 0.444 25 E N -0.367 119.853 120.200 0.034 0.000 2.209 25 E HA -0.203 4.147 4.350 -0.000 0.000 0.196 25 E C 1.477 178.101 176.600 0.040 0.000 0.993 25 E CA 1.217 57.633 56.400 0.028 0.000 0.819 25 E CB -0.197 29.511 29.700 0.014 0.000 0.745 25 E HN 0.658 nan 8.360 nan 0.000 0.477 26 N N 0.217 118.947 118.700 0.049 0.000 2.457 26 N HA -0.076 4.664 4.740 -0.000 0.000 0.180 26 N C 1.024 176.589 175.510 0.092 0.000 1.050 26 N CA 0.574 53.659 53.050 0.058 0.000 0.906 26 N CB 0.344 38.862 38.487 0.051 0.000 0.968 26 N HN 0.053 nan 8.380 nan 0.000 0.445 27 E N -0.489 119.776 120.200 0.109 0.000 2.481 27 E HA 0.175 4.525 4.350 -0.000 0.000 0.198 27 E C -0.242 176.479 176.600 0.201 0.000 1.027 27 E CA 0.229 56.740 56.400 0.185 0.000 0.900 27 E CB 0.403 30.202 29.700 0.165 0.000 0.993 27 E HN 0.427 nan 8.360 nan 0.000 0.482 28 M N 0.897 120.557 119.600 0.100 0.000 2.634 28 M HA 0.250 4.730 4.480 -0.000 0.000 0.211 28 M C -2.177 174.117 176.300 -0.009 0.000 1.019 28 M CA -1.679 53.645 55.300 0.039 0.000 0.834 28 M CB 1.296 33.913 32.600 0.028 0.000 1.376 28 M HN -0.269 nan 8.290 nan 0.000 0.465 29 P HA -0.123 nan 4.420 nan 0.000 0.215 29 P C 1.615 178.728 177.300 -0.311 0.000 1.153 29 P CA 1.541 64.539 63.100 -0.170 0.000 0.853 29 P CB 0.147 31.745 31.700 -0.169 0.000 0.788 30 G N 0.323 108.798 108.800 -0.541 0.000 2.511 30 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.216 30 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.216 30 G C 1.526 176.359 174.900 -0.111 0.000 1.218 30 G CA 0.837 45.722 45.100 -0.358 0.000 0.788 30 G HN 0.209 nan 8.290 nan 0.000 0.560 31 L N -0.161 121.036 121.223 -0.043 0.000 2.042 31 L HA -0.122 4.218 4.340 -0.000 0.000 0.210 31 L C 3.088 179.951 176.870 -0.012 0.000 1.076 31 L CA 0.932 55.769 54.840 -0.006 0.000 0.749 31 L CB -0.429 41.642 42.059 0.020 0.000 0.893 31 L HN 0.165 nan 8.230 nan 0.000 0.432 32 M N -0.503 119.081 119.600 -0.025 0.000 2.213 32 M HA -0.183 4.297 4.480 -0.000 0.000 0.263 32 M C 2.336 178.628 176.300 -0.012 0.000 1.062 32 M CA 1.538 56.829 55.300 -0.016 0.000 1.105 32 M CB -1.134 31.456 32.600 -0.017 0.000 1.385 32 M HN 0.186 nan 8.290 nan 0.000 0.417 33 R N 0.242 120.724 120.500 -0.030 0.000 2.062 33 R HA -0.035 4.304 4.340 -0.000 0.000 0.229 33 R C 2.009 178.339 176.300 0.049 0.000 1.128 33 R CA 1.305 57.398 56.100 -0.012 0.000 0.960 33 R CB -0.252 30.021 30.300 -0.045 0.000 0.855 33 R HN 0.091 nan 8.270 nan 0.000 0.432 34 M N 0.666 120.310 119.600 0.073 0.000 2.144 34 M HA -0.165 4.315 4.480 -0.000 0.000 0.260 34 M C 2.133 178.545 176.300 0.188 0.000 1.067 34 M CA 1.695 57.099 55.300 0.174 0.000 1.095 34 M CB -0.901 31.741 32.600 0.070 0.000 1.365 34 M HN 0.211 nan 8.290 nan 0.000 0.406 35 R N -0.113 120.438 120.500 0.084 0.000 2.081 35 R HA -0.142 4.198 4.340 -0.000 0.000 0.235 35 R C 2.143 178.475 176.300 0.053 0.000 1.131 35 R CA 1.423 57.560 56.100 0.062 0.000 0.960 35 R CB -0.183 30.131 30.300 0.023 0.000 0.856 35 R HN 0.565 nan 8.270 nan 0.000 0.436 36 E N 0.517 120.734 120.200 0.029 0.000 2.001 36 E HA -0.197 4.153 4.350 -0.000 0.000 0.195 36 E C 2.079 178.653 176.600 -0.044 0.000 1.002 36 E CA 1.346 57.742 56.400 -0.006 0.000 0.819 36 E CB -0.202 29.489 29.700 -0.016 0.000 0.769 36 E HN 0.259 nan 8.360 nan 0.000 0.454 37 M N -0.256 119.297 119.600 -0.077 0.000 2.255 37 M HA -0.208 4.272 4.480 -0.000 0.000 0.259 37 M C 1.024 176.959 176.300 -0.607 0.000 1.071 37 M CA 1.696 56.802 55.300 -0.322 0.000 1.074 37 M CB -0.134 32.266 32.600 -0.333 0.000 1.384 37 M HN 0.202 nan 8.290 nan 0.000 0.415 38 Y N -3.045 117.258 120.300 0.005 0.000 2.563 38 Y HA 0.242 4.792 4.550 -0.000 0.000 0.250 38 Y C 2.199 178.102 175.900 0.005 0.000 1.126 38 Y CA -0.182 57.924 58.100 0.009 0.000 1.231 38 Y CB 0.076 38.544 38.460 0.012 0.000 1.288 38 Y HN 0.006 nan 8.280 nan 0.000 0.537 39 S N 0.347 116.104 115.700 0.095 0.000 2.400 39 S HA -0.198 4.272 4.470 -0.000 0.000 0.232 39 S C 2.212 176.837 174.600 0.041 0.000 1.025 39 S CA 1.443 59.679 58.200 0.059 0.000 0.993 39 S CB -0.144 63.075 63.200 0.030 0.000 0.808 39 S HN 0.547 nan 8.310 nan 0.000 0.478 40 A N 0.644 123.477 122.820 0.022 0.000 1.850 40 A HA 0.051 4.370 4.320 -0.000 0.000 0.212 40 A C 2.283 179.886 177.584 0.031 0.000 1.208 40 A CA 1.532 53.577 52.037 0.013 0.000 0.609 40 A CB -1.086 17.908 19.000 -0.011 0.000 0.860 40 A HN 0.502 nan 8.150 nan 0.000 0.448 41 S N 0.133 115.855 115.700 0.038 0.000 2.402 41 S HA -0.149 4.320 4.470 -0.000 0.000 0.233 41 S C 0.648 175.305 174.600 0.095 0.000 1.030 41 S CA 1.289 59.532 58.200 0.072 0.000 1.003 41 S CB -0.303 62.965 63.200 0.113 0.000 0.813 41 S HN 0.490 nan 8.310 nan 0.000 0.477 42 K N -0.079 120.384 120.400 0.106 0.000 3.148 42 K HA -0.134 4.186 4.320 -0.000 0.000 0.267 42 K C -2.261 174.404 176.600 0.110 0.000 0.996 42 K CA 0.836 57.176 56.287 0.089 0.000 0.737 42 K CB -1.625 30.912 32.500 0.062 0.000 1.308 42 K HN 0.415 nan 8.250 nan 0.000 0.470 43 P HA -0.124 nan 4.420 nan 0.000 0.236 43 P C 0.845 178.244 177.300 0.166 0.000 1.172 43 P CA 0.812 64.001 63.100 0.149 0.000 0.759 43 P CB 0.172 31.971 31.700 0.164 0.000 0.843 44 L N -1.731 119.548 121.223 0.094 0.000 2.857 44 L HA 0.204 4.543 4.340 -0.000 0.000 0.249 44 L C 0.962 177.803 176.870 -0.048 0.000 1.172 44 L CA -0.414 54.417 54.840 -0.016 0.000 0.980 44 L CB 0.070 42.041 42.059 -0.147 0.000 1.299 44 L HN -0.214 nan 8.230 nan 0.000 0.535 45 K N 0.986 121.452 120.400 0.110 0.000 2.485 45 K HA 0.111 4.431 4.320 -0.000 0.000 0.277 45 K C 1.208 177.929 176.600 0.201 0.000 0.990 45 K CA 1.077 57.423 56.287 0.099 0.000 0.994 45 K CB 0.635 33.205 32.500 0.116 0.000 0.906 45 K HN 0.319 nan 8.250 nan 0.000 0.488 46 G N 1.039 109.885 108.800 0.077 0.000 2.205 46 G HA2 -0.308 3.651 3.960 -0.000 0.000 0.261 46 G HA3 -0.308 3.651 3.960 -0.000 0.000 0.261 46 G C 0.217 174.991 174.900 -0.209 0.000 0.980 46 G CA 0.389 45.578 45.100 0.148 0.000 0.632 46 G HN 0.848 nan 8.290 nan 0.000 0.533 47 A N 0.219 122.579 122.820 -0.768 0.000 2.328 47 A HA 0.780 5.099 4.320 -0.000 0.000 0.284 47 A C 0.539 177.656 177.584 -0.778 0.000 1.160 47 A CA -0.175 50.972 52.037 -1.483 0.000 0.818 47 A CB 0.403 18.310 19.000 -1.822 0.000 1.087 47 A HN 0.414 nan 8.150 nan 0.000 0.504 48 R N 2.690 122.725 120.500 -0.775 0.000 2.312 48 R HA 0.373 4.713 4.340 -0.000 0.000 0.310 48 R C -1.111 174.821 176.300 -0.614 0.000 1.064 48 R CA -0.102 55.461 56.100 -0.894 0.000 0.983 48 R CB 0.860 30.255 30.300 -1.508 0.000 1.139 48 R HN 0.728 nan 8.270 nan 0.000 0.536 49 I N 2.058 122.460 120.570 -0.279 0.000 2.371 49 I HA 0.243 4.413 4.170 -0.000 0.000 0.290 49 I C 0.506 176.607 176.117 -0.026 0.000 1.028 49 I CA -0.324 60.879 61.300 -0.162 0.000 1.345 49 I CB 1.582 39.507 38.000 -0.125 0.000 1.407 49 I HN 0.499 nan 8.210 nan 0.000 0.501 50 A N 5.695 128.424 122.820 -0.152 0.000 2.341 50 A HA 0.642 4.962 4.320 -0.000 0.000 0.326 50 A C 0.344 177.599 177.584 -0.548 0.000 1.402 50 A CA -0.428 51.469 52.037 -0.233 0.000 0.957 50 A CB 0.061 18.940 19.000 -0.201 0.000 1.151 50 A HN 0.852 nan 8.150 nan 0.000 0.533 51 G N 0.241 108.435 108.800 -1.010 0.000 2.338 51 G HA2 0.452 4.412 3.960 -0.000 0.000 0.298 51 G HA3 0.452 4.412 3.960 -0.000 0.000 0.298 51 G C -0.495 173.313 174.900 -1.819 0.000 1.140 51 G CA -0.281 43.592 45.100 -2.046 0.000 0.860 51 G HN 0.990 nan 8.290 nan 0.000 0.470 52 C N 5.037 123.714 119.300 -1.039 0.000 2.653 52 C HA 0.777 5.237 4.460 -0.000 0.000 0.291 52 C C -0.582 174.252 174.990 -0.259 0.000 1.064 52 C CA -0.717 57.961 59.018 -0.566 0.000 1.469 52 C CB -1.696 25.817 27.740 -0.379 0.000 1.861 52 C HN 0.681 nan 8.230 nan 0.000 0.434 53 L N 5.967 127.207 121.223 0.028 0.000 2.513 53 L HA 0.498 4.838 4.340 -0.000 0.000 0.261 53 L C -0.415 176.597 176.870 0.236 0.000 0.945 53 L CA -0.443 54.500 54.840 0.172 0.000 0.848 53 L CB 1.636 43.918 42.059 0.372 0.000 1.334 53 L HN 0.626 nan 8.230 nan 0.000 0.407 54 H N 4.026 123.222 119.070 0.210 0.000 3.219 54 H HA -0.127 4.429 4.556 -0.000 0.000 0.283 54 H C 0.167 175.579 175.328 0.140 0.000 0.894 54 H CA 0.288 56.431 56.048 0.158 0.000 1.406 54 H CB 0.389 30.225 29.762 0.122 0.000 1.349 54 H HN 0.371 nan 8.280 nan 0.000 0.550 55 M N 4.821 124.542 119.600 0.202 0.000 2.775 55 M HA 0.049 4.529 4.480 -0.000 0.000 0.313 55 M C 0.022 176.329 176.300 0.012 0.000 1.429 55 M CA -0.272 55.071 55.300 0.072 0.000 1.494 55 M CB -0.836 31.804 32.600 0.066 0.000 1.274 55 M HN 0.687 nan 8.290 nan 0.000 0.491 56 T N -0.132 114.418 114.554 -0.007 0.000 2.841 56 T HA 0.538 4.888 4.350 -0.000 0.000 0.276 56 T C 0.933 175.561 174.700 -0.120 0.000 1.003 56 T CA -0.780 61.293 62.100 -0.045 0.000 0.995 56 T CB 0.699 69.582 68.868 0.026 0.000 1.260 56 T HN 0.166 nan 8.240 nan 0.000 0.581 57 V N 0.951 120.787 119.914 -0.130 0.000 2.490 57 V HA -0.066 4.054 4.120 -0.000 0.000 0.250 57 V C 2.592 178.650 176.094 -0.059 0.000 1.061 57 V CA 2.011 64.226 62.300 -0.141 0.000 1.064 57 V CB -1.130 30.634 31.823 -0.099 0.000 0.670 57 V HN 0.852 nan 8.190 nan 0.000 0.461 58 E N -0.129 120.082 120.200 0.019 0.000 2.158 58 E HA -0.094 4.256 4.350 -0.000 0.000 0.191 58 E C 2.269 179.003 176.600 0.222 0.000 0.982 58 E CA 1.303 57.772 56.400 0.115 0.000 0.823 58 E CB -0.421 29.340 29.700 0.101 0.000 0.766 58 E HN 0.525 nan 8.360 nan 0.000 0.468 59 T N 0.372 115.000 114.554 0.124 0.000 2.904 59 T HA -0.060 4.289 4.350 -0.000 0.000 0.267 59 T C 1.940 176.411 174.700 -0.381 0.000 1.059 59 T CA 0.999 62.995 62.100 -0.174 0.000 1.137 59 T CB -0.229 68.496 68.868 -0.238 0.000 0.879 59 T HN 0.259 nan 8.240 nan 0.000 0.467 60 A N 1.260 123.916 122.820 -0.273 0.000 1.908 60 A HA -0.075 4.245 4.320 -0.000 0.000 0.218 60 A C 2.524 179.967 177.584 -0.236 0.000 1.181 60 A CA 1.449 53.310 52.037 -0.293 0.000 0.627 60 A CB -1.035 17.828 19.000 -0.228 0.000 0.818 60 A HN 0.371 nan 8.150 nan 0.000 0.445 61 V N -0.164 119.665 119.914 -0.141 0.000 2.490 61 V HA -0.208 3.912 4.120 -0.000 0.000 0.250 61 V C 2.446 178.468 176.094 -0.120 0.000 1.061 61 V CA 1.784 64.031 62.300 -0.090 0.000 1.064 61 V CB -0.843 30.972 31.823 -0.013 0.000 0.670 61 V HN 0.609 nan 8.190 nan 0.000 0.461 62 L N 0.043 121.149 121.223 -0.195 0.000 2.044 62 L HA -0.037 4.303 4.340 -0.000 0.000 0.205 62 L C 2.163 178.827 176.870 -0.343 0.000 1.075 62 L CA 1.761 56.425 54.840 -0.294 0.000 0.747 62 L CB -0.517 41.172 42.059 -0.617 0.000 0.903 62 L HN 0.180 nan 8.230 nan 0.000 0.435 63 I N -0.209 120.056 120.570 -0.508 0.000 2.179 63 I HA -0.284 3.886 4.170 -0.000 0.000 0.242 63 I C 2.333 178.305 176.117 -0.242 0.000 1.088 63 I CA 1.575 62.581 61.300 -0.490 0.000 1.357 63 I CB -0.326 37.281 38.000 -0.655 0.000 1.051 63 I HN 0.378 nan 8.210 nan 0.000 0.409 64 E N -0.120 119.957 120.200 -0.206 0.000 2.338 64 E HA -0.148 4.202 4.350 -0.000 0.000 0.197 64 E C 1.957 178.504 176.600 -0.089 0.000 1.007 64 E CA 1.279 57.604 56.400 -0.126 0.000 0.849 64 E CB -0.035 29.599 29.700 -0.110 0.000 0.774 64 E HN 0.500 nan 8.360 nan 0.000 0.506 65 T N 1.070 115.565 114.554 -0.099 0.000 2.942 65 T HA 0.005 4.355 4.350 -0.000 0.000 0.265 65 T C 1.926 176.593 174.700 -0.055 0.000 1.062 65 T CA 0.429 62.492 62.100 -0.062 0.000 1.139 65 T CB 0.058 68.890 68.868 -0.059 0.000 0.883 65 T HN 0.081 nan 8.240 nan 0.000 0.468 66 L N 0.575 121.753 121.223 -0.074 0.000 2.072 66 L HA -0.022 4.318 4.340 -0.000 0.000 0.205 66 L C 2.598 179.438 176.870 -0.049 0.000 1.079 66 L CA 0.696 55.499 54.840 -0.061 0.000 0.752 66 L CB -0.541 41.494 42.059 -0.039 0.000 0.906 66 L HN 0.120 nan 8.230 nan 0.000 0.436 67 V N 0.179 120.067 119.914 -0.043 0.000 2.295 67 V HA -0.282 3.838 4.120 -0.000 0.000 0.246 67 V C 2.757 178.839 176.094 -0.020 0.000 1.049 67 V CA 1.814 64.097 62.300 -0.029 0.000 1.024 67 V CB -0.862 30.942 31.823 -0.031 0.000 0.648 67 V HN 0.476 nan 8.190 nan 0.000 0.447 68 A N -0.445 122.363 122.820 -0.020 0.000 2.024 68 A HA -0.148 4.172 4.320 -0.000 0.000 0.220 68 A C 1.813 179.406 177.584 0.016 0.000 1.164 68 A CA 1.563 53.598 52.037 -0.003 0.000 0.643 68 A CB -0.450 18.548 19.000 -0.003 0.000 0.806 68 A HN 0.445 nan 8.150 nan 0.000 0.451 69 L N -0.360 120.870 121.223 0.011 0.000 2.645 69 L HA 0.286 4.626 4.340 -0.000 0.000 0.234 69 L C 1.210 178.089 176.870 0.015 0.000 1.165 69 L CA 0.570 55.429 54.840 0.033 0.000 0.944 69 L CB -1.043 41.022 42.059 0.010 0.000 1.149 69 L HN 0.536 nan 8.230 nan 0.000 0.446 70 G N 0.499 109.301 108.800 0.004 0.000 2.487 70 G HA2 0.114 4.074 3.960 -0.000 0.000 0.243 70 G HA3 0.114 4.074 3.960 -0.000 0.000 0.243 70 G C -0.033 174.844 174.900 -0.039 0.000 0.918 70 G CA 0.196 45.295 45.100 -0.002 0.000 1.260 70 G HN 0.745 nan 8.290 nan 0.000 0.408 71 A N 1.732 124.519 122.820 -0.055 0.000 2.604 71 A HA 0.799 5.119 4.320 -0.000 0.000 0.295 71 A C -0.398 177.158 177.584 -0.046 0.000 1.067 71 A CA -0.660 51.308 52.037 -0.114 0.000 0.683 71 A CB 1.466 20.360 19.000 -0.177 0.000 1.281 71 A HN 0.456 nan 8.150 nan 0.000 0.407 72 E N 0.347 120.519 120.200 -0.046 0.000 2.266 72 E HA 0.607 4.957 4.350 -0.000 0.000 0.277 72 E C -0.984 175.764 176.600 0.246 0.000 1.018 72 E CA -0.125 56.360 56.400 0.142 0.000 0.840 72 E CB 1.765 31.607 29.700 0.236 0.000 1.082 72 E HN 0.489 nan 8.360 nan 0.000 0.395 73 V N 3.381 123.475 119.914 0.299 0.000 2.971 73 V HA 0.502 4.622 4.120 -0.000 0.000 0.309 73 V C -0.425 175.775 176.094 0.176 0.000 1.130 73 V CA -0.837 61.635 62.300 0.287 0.000 0.964 73 V CB 2.464 34.436 31.823 0.248 0.000 1.029 73 V HN 0.523 nan 8.190 nan 0.000 0.427 74 R N 2.284 122.866 120.500 0.136 0.000 2.514 74 R HA 0.438 4.778 4.340 -0.000 0.000 0.296 74 R C -1.696 174.660 176.300 0.093 0.000 1.012 74 R CA -0.387 55.715 56.100 0.003 0.000 0.897 74 R CB 1.789 31.891 30.300 -0.330 0.000 1.184 74 R HN 0.754 nan 8.270 nan 0.000 0.440 75 W N 1.905 123.198 121.300 -0.012 0.000 2.719 75 W HA 0.528 5.188 4.660 -0.000 0.000 0.352 75 W C -0.705 175.812 176.519 -0.002 0.000 1.085 75 W CA -0.346 56.976 57.345 -0.038 0.000 1.187 75 W CB 2.327 31.748 29.460 -0.065 0.000 1.417 75 W HN 0.600 nan 8.180 nan 0.000 0.557 76 S N 1.093 116.781 115.700 -0.020 0.000 2.543 76 S HA 0.254 4.724 4.470 -0.000 0.000 0.271 76 S C -0.868 173.706 174.600 -0.044 0.000 1.148 76 S CA -0.739 57.434 58.200 -0.045 0.000 0.914 76 S CB 1.661 64.703 63.200 -0.263 0.000 1.096 76 S HN 0.337 nan 8.310 nan 0.000 0.471 77 S N 0.595 116.299 115.700 0.007 0.000 2.549 77 S HA 0.168 4.638 4.470 -0.000 0.000 0.279 77 S C 1.512 176.098 174.600 -0.023 0.000 1.321 77 S CA -0.226 58.004 58.200 0.049 0.000 1.054 77 S CB -0.182 63.065 63.200 0.079 0.000 0.899 77 S HN 1.349 nan 8.310 nan 0.000 0.497 78 C N 4.214 123.488 119.300 -0.042 0.000 2.539 78 C HA 0.360 4.820 4.460 -0.000 0.000 0.271 78 C C 0.683 175.789 174.990 0.193 0.000 1.412 78 C CA -0.730 58.299 59.018 0.018 0.000 1.729 78 C CB -1.839 25.798 27.740 -0.172 0.000 1.739 78 C HN 0.754 nan 8.230 nan 0.000 0.570 79 N N 0.743 119.554 118.700 0.185 0.000 2.284 79 N HA 0.383 5.123 4.740 -0.000 0.000 0.289 79 N C 0.510 176.092 175.510 0.121 0.000 1.179 79 N CA -0.521 52.632 53.050 0.172 0.000 0.774 79 N CB 1.662 40.348 38.487 0.332 0.000 1.548 79 N HN 0.398 nan 8.380 nan 0.000 0.473 80 I N -1.329 119.186 120.570 -0.091 0.000 3.059 80 I HA 0.161 4.331 4.170 -0.000 0.000 0.270 80 I C 0.228 176.126 176.117 -0.364 0.000 1.238 80 I CA 0.724 61.847 61.300 -0.294 0.000 1.478 80 I CB -0.112 37.541 38.000 -0.578 0.000 1.097 80 I HN 0.173 nan 8.210 nan 0.000 0.455 81 F N 1.274 121.287 119.950 0.106 0.000 2.680 81 F HA 0.153 4.680 4.527 -0.000 0.000 0.290 81 F C 2.731 178.599 175.800 0.113 0.000 1.114 81 F CA 0.504 58.569 58.000 0.108 0.000 1.333 81 F CB -0.365 38.690 39.000 0.091 0.000 1.091 81 F HN 0.083 nan 8.300 nan 0.000 0.606 82 S N -0.619 115.264 115.700 0.305 0.000 2.469 82 S HA -0.081 4.389 4.470 -0.000 0.000 0.238 82 S C 0.995 175.707 174.600 0.187 0.000 0.998 82 S CA 0.604 58.941 58.200 0.228 0.000 0.957 82 S CB -1.283 62.106 63.200 0.315 0.000 0.764 82 S HN 0.172 nan 8.310 nan 0.000 0.514 83 T N 2.766 117.427 114.554 0.179 0.000 2.903 83 T HA 0.151 4.501 4.350 -0.000 0.000 0.314 83 T C -0.169 174.597 174.700 0.110 0.000 1.078 83 T CA 0.156 62.333 62.100 0.129 0.000 1.114 83 T CB 0.523 69.458 68.868 0.111 0.000 0.987 83 T HN 0.441 nan 8.240 nan 0.000 0.548 84 Q N 1.558 121.382 119.800 0.040 0.000 2.558 84 Q HA 0.160 4.500 4.340 -0.000 0.000 0.252 84 Q C 0.042 176.007 176.000 -0.058 0.000 1.015 84 Q CA -0.618 55.184 55.803 -0.002 0.000 0.720 84 Q CB 1.235 29.905 28.738 -0.115 0.000 1.215 84 Q HN 0.558 nan 8.270 nan 0.000 0.500 85 D N 1.258 121.700 120.400 0.069 0.000 2.218 85 D HA -0.257 4.383 4.640 -0.000 0.000 0.194 85 D C 1.696 177.997 176.300 0.002 0.000 1.007 85 D CA 1.773 55.821 54.000 0.080 0.000 0.879 85 D CB 0.134 41.025 40.800 0.152 0.000 0.918 85 D HN 0.680 nan 8.370 nan 0.000 0.449 86 H N -0.526 118.421 119.070 -0.206 0.000 2.502 86 H HA 0.303 4.859 4.556 -0.000 0.000 0.283 86 H C 1.812 176.966 175.328 -0.291 0.000 1.015 86 H CA 1.130 56.979 56.048 -0.331 0.000 1.298 86 H CB -0.256 29.005 29.762 -0.834 0.000 1.411 86 H HN 0.086 nan 8.280 nan 0.000 0.556 87 A N 1.862 124.191 122.820 -0.819 0.000 1.872 87 A HA 0.132 4.452 4.320 -0.000 0.000 0.214 87 A C 2.735 180.131 177.584 -0.314 0.000 1.187 87 A CA 1.656 53.332 52.037 -0.603 0.000 0.614 87 A CB -1.027 17.655 19.000 -0.530 0.000 0.826 87 A HN 0.545 nan 8.150 nan 0.000 0.442 88 A N -0.187 122.504 122.820 -0.216 0.000 2.015 88 A HA 0.224 4.544 4.320 -0.000 0.000 0.219 88 A C 2.420 179.922 177.584 -0.136 0.000 1.163 88 A CA 1.836 53.794 52.037 -0.132 0.000 0.646 88 A CB -0.878 18.105 19.000 -0.028 0.000 0.806 88 A HN 0.956 nan 8.150 nan 0.000 0.448 89 A N 0.279 123.028 122.820 -0.118 0.000 1.851 89 A HA 0.093 4.413 4.320 -0.000 0.000 0.216 89 A C 2.564 180.058 177.584 -0.150 0.000 1.195 89 A CA 2.429 54.405 52.037 -0.101 0.000 0.622 89 A CB -1.317 17.663 19.000 -0.034 0.000 0.831 89 A HN 1.115 nan 8.150 nan 0.000 0.444 90 A N 0.038 122.772 122.820 -0.144 0.000 1.859 90 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 90 A C 2.120 179.602 177.584 -0.170 0.000 1.198 90 A CA 1.854 53.809 52.037 -0.137 0.000 0.629 90 A CB -0.908 18.011 19.000 -0.134 0.000 0.830 90 A HN 0.539 nan 8.150 nan 0.000 0.446 91 I N -0.342 120.113 120.570 -0.192 0.000 2.315 91 I HA -0.349 3.821 4.170 -0.000 0.000 0.251 91 I C 2.853 178.827 176.117 -0.238 0.000 1.125 91 I CA 1.061 62.241 61.300 -0.201 0.000 1.392 91 I CB -0.359 37.514 38.000 -0.212 0.000 1.065 91 I HN 0.430 nan 8.210 nan 0.000 0.424 92 A N 0.371 122.996 122.820 -0.324 0.000 1.840 92 A HA -0.164 4.156 4.320 -0.000 0.000 0.214 92 A C 2.319 179.600 177.584 -0.505 0.000 1.198 92 A CA 1.130 52.815 52.037 -0.587 0.000 0.608 92 A CB -0.428 18.027 19.000 -0.908 0.000 0.839 92 A HN 0.121 nan 8.150 nan 0.000 0.443 93 K N 0.227 120.413 120.400 -0.356 0.000 2.286 93 K HA -0.116 4.204 4.320 -0.000 0.000 0.203 93 K C 1.742 178.254 176.600 -0.146 0.000 1.045 93 K CA 1.209 57.371 56.287 -0.209 0.000 0.935 93 K CB -0.525 31.900 32.500 -0.125 0.000 0.737 93 K HN 0.443 nan 8.250 nan 0.000 0.460 94 A N -0.096 122.631 122.820 -0.155 0.000 2.235 94 A HA 0.169 4.489 4.320 -0.000 0.000 0.208 94 A C 1.020 178.550 177.584 -0.090 0.000 1.172 94 A CA 0.928 52.901 52.037 -0.107 0.000 0.786 94 A CB -0.345 18.589 19.000 -0.109 0.000 0.804 94 A HN 0.359 nan 8.150 nan 0.000 0.479 95 G N -0.656 108.078 108.800 -0.110 0.000 2.289 95 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.280 95 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.280 95 G C -0.199 174.672 174.900 -0.049 0.000 1.089 95 G CA 0.426 45.492 45.100 -0.057 0.000 0.939 95 G HN 0.527 nan 8.290 nan 0.000 0.499 96 I N 0.224 120.739 120.570 -0.092 0.000 2.466 96 I HA 0.313 4.483 4.170 -0.000 0.000 0.289 96 I C -2.329 173.750 176.117 -0.063 0.000 1.026 96 I CA -2.758 58.505 61.300 -0.061 0.000 1.078 96 I CB 2.678 40.633 38.000 -0.075 0.000 1.249 96 I HN -0.157 nan 8.210 nan 0.000 0.429 97 P HA 0.095 nan 4.420 nan 0.000 0.264 97 P C -1.012 176.281 177.300 -0.012 0.000 1.229 97 P CA 0.110 63.211 63.100 0.001 0.000 0.780 97 P CB 0.317 32.077 31.700 0.099 0.000 0.808 98 V N 4.988 124.740 119.914 -0.269 0.000 2.638 98 V HA 0.448 4.568 4.120 -0.000 0.000 0.306 98 V C -0.453 175.394 176.094 -0.412 0.000 1.052 98 V CA -0.382 61.840 62.300 -0.130 0.000 0.885 98 V CB 1.753 33.532 31.823 -0.075 0.000 0.999 98 V HN 0.286 nan 8.190 nan 0.000 0.424 99 F N 3.118 123.114 119.950 0.075 0.000 2.550 99 F HA 0.809 5.335 4.527 -0.000 0.000 0.348 99 F C 0.366 176.162 175.800 -0.006 0.000 1.219 99 F CA -0.326 57.733 58.000 0.098 0.000 1.203 99 F CB 1.416 40.366 39.000 -0.082 0.000 1.436 99 F HN 0.601 nan 8.300 nan 0.000 0.541 100 A N 2.089 125.008 122.820 0.166 0.000 2.549 100 A HA 0.902 5.222 4.320 -0.000 0.000 0.297 100 A C -1.943 175.780 177.584 0.231 0.000 1.061 100 A CA -0.726 51.329 52.037 0.029 0.000 0.690 100 A CB 1.521 20.558 19.000 0.062 0.000 1.287 100 A HN 0.690 nan 8.150 nan 0.000 0.402 101 W N 0.731 122.107 121.300 0.126 0.000 3.161 101 W HA 0.673 5.333 4.660 -0.000 0.000 0.314 101 W C -1.057 175.531 176.519 0.115 0.000 1.245 101 W CA -0.981 56.430 57.345 0.110 0.000 1.191 101 W CB 0.378 29.904 29.460 0.111 0.000 1.392 101 W HN 0.738 nan 8.180 nan 0.000 0.568 102 K N 1.689 122.343 120.400 0.424 0.000 2.380 102 K HA 0.444 4.764 4.320 -0.000 0.000 0.267 102 K C 1.048 177.881 176.600 0.388 0.000 0.990 102 K CA 1.161 57.654 56.287 0.342 0.000 0.946 102 K CB 0.292 32.986 32.500 0.324 0.000 0.937 102 K HN 1.472 nan 8.250 nan 0.000 0.491 103 G N 3.562 112.507 108.800 0.241 0.000 2.144 103 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.251 103 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.251 103 G C -0.425 174.558 174.900 0.139 0.000 0.780 103 G CA 0.938 46.063 45.100 0.042 0.000 1.183 103 G HN 0.661 nan 8.290 nan 0.000 0.345 104 E N 0.359 120.544 120.200 -0.025 0.000 2.250 104 E HA 0.666 5.016 4.350 -0.000 0.000 0.265 104 E C 0.618 177.257 176.600 0.066 0.000 1.033 104 E CA -0.472 56.042 56.400 0.190 0.000 0.888 104 E CB 0.994 30.542 29.700 -0.254 0.000 1.151 104 E HN 0.422 nan 8.360 nan 0.000 0.412 105 T N -1.176 113.478 114.554 0.167 0.000 2.913 105 T HA 0.064 4.414 4.350 -0.000 0.000 0.287 105 T C 0.687 175.441 174.700 0.089 0.000 1.008 105 T CA -0.629 61.530 62.100 0.098 0.000 1.067 105 T CB 0.983 69.921 68.868 0.116 0.000 0.996 105 T HN 0.388 nan 8.240 nan 0.000 0.513 106 D N 1.549 121.976 120.400 0.045 0.000 2.170 106 D HA -0.168 4.472 4.640 -0.000 0.000 0.193 106 D C 1.757 178.137 176.300 0.132 0.000 1.004 106 D CA 1.814 55.844 54.000 0.050 0.000 0.860 106 D CB 0.033 40.844 40.800 0.018 0.000 0.931 106 D HN 0.778 nan 8.370 nan 0.000 0.448 107 E N 0.776 121.049 120.200 0.122 0.000 2.072 107 E HA -0.122 4.227 4.350 -0.000 0.000 0.191 107 E C 2.097 178.823 176.600 0.211 0.000 0.985 107 E CA 0.750 57.236 56.400 0.143 0.000 0.801 107 E CB -0.068 29.693 29.700 0.102 0.000 0.750 107 E HN 0.412 nan 8.360 nan 0.000 0.452 108 E N -0.210 120.123 120.200 0.221 0.000 2.072 108 E HA -0.210 4.140 4.350 -0.000 0.000 0.191 108 E C 1.800 178.551 176.600 0.251 0.000 0.985 108 E CA 0.910 57.494 56.400 0.306 0.000 0.801 108 E CB -0.224 29.711 29.700 0.391 0.000 0.750 108 E HN 0.289 nan 8.360 nan 0.000 0.452 109 Y N 2.130 122.436 120.300 0.010 0.000 2.014 109 Y HA -0.298 4.252 4.550 -0.000 0.000 0.270 109 Y C 2.307 178.197 175.900 -0.016 0.000 1.145 109 Y CA 1.614 59.670 58.100 -0.074 0.000 1.106 109 Y CB -0.535 37.873 38.460 -0.086 0.000 0.968 109 Y HN 0.022 nan 8.280 nan 0.000 0.484 110 L N -0.305 121.033 121.223 0.190 0.000 2.064 110 L HA -0.303 4.037 4.340 -0.000 0.000 0.216 110 L C 2.242 179.114 176.870 0.004 0.000 1.077 110 L CA 2.779 57.663 54.840 0.073 0.000 0.766 110 L CB -1.336 40.813 42.059 0.151 0.000 0.890 110 L HN 0.710 nan 8.230 nan 0.000 0.435 111 W N 0.654 121.922 121.300 -0.055 0.000 2.332 111 W HA -0.251 4.409 4.660 -0.000 0.000 0.321 111 W C 2.856 179.280 176.519 -0.158 0.000 1.219 111 W CA 2.559 59.869 57.345 -0.059 0.000 1.277 111 W CB -0.899 28.581 29.460 0.032 0.000 1.161 111 W HN 0.275 nan 8.180 nan 0.000 0.476 112 C N 0.571 119.797 119.300 -0.123 0.000 2.367 112 C HA -0.303 4.157 4.460 -0.000 0.000 0.276 112 C C 2.722 177.373 174.990 -0.564 0.000 1.195 112 C CA 1.620 60.424 59.018 -0.357 0.000 1.756 112 C CB -1.620 25.967 27.740 -0.255 0.000 2.046 112 C HN 0.419 nan 8.230 nan 0.000 0.453 113 I N 0.841 121.102 120.570 -0.516 0.000 2.118 113 I HA -0.278 3.892 4.170 -0.000 0.000 0.241 113 I C 2.602 178.418 176.117 -0.501 0.000 1.070 113 I CA 1.887 62.892 61.300 -0.493 0.000 1.327 113 I CB -0.731 37.002 38.000 -0.444 0.000 1.034 113 I HN 0.492 nan 8.210 nan 0.000 0.405 114 E N 0.406 120.321 120.200 -0.475 0.000 2.171 114 E HA -0.268 4.082 4.350 -0.000 0.000 0.197 114 E C 1.998 178.227 176.600 -0.619 0.000 0.997 114 E CA 0.960 57.082 56.400 -0.463 0.000 0.810 114 E CB -0.292 29.204 29.700 -0.340 0.000 0.738 114 E HN 0.572 nan 8.360 nan 0.000 0.467 115 Q N -0.062 119.169 119.800 -0.949 0.000 2.437 115 Q HA -0.075 4.265 4.340 -0.000 0.000 0.210 115 Q C 2.055 177.465 176.000 -0.984 0.000 0.972 115 Q CA 1.489 56.540 55.803 -1.252 0.000 0.903 115 Q CB -0.417 26.851 28.738 -2.451 0.000 0.967 115 Q HN 0.453 nan 8.270 nan 0.000 0.486 116 T N -3.501 110.635 114.554 -0.698 0.000 3.060 116 T HA 0.193 4.543 4.350 -0.000 0.000 0.249 116 T C 1.857 176.356 174.700 -0.335 0.000 1.079 116 T CA -0.170 61.654 62.100 -0.460 0.000 1.013 116 T CB -0.062 68.593 68.868 -0.354 0.000 0.975 116 T HN 0.079 nan 8.240 nan 0.000 0.518 117 L N 0.212 121.200 121.223 -0.391 0.000 2.056 117 L HA 0.067 4.407 4.340 -0.000 0.000 0.207 117 L C 1.102 177.715 176.870 -0.429 0.000 1.078 117 L CA 0.989 55.572 54.840 -0.428 0.000 0.749 117 L CB -0.349 41.346 42.059 -0.606 0.000 0.901 117 L HN 0.406 nan 8.230 nan 0.000 0.433 118 H N -1.336 117.663 119.070 -0.117 0.000 2.466 118 H HA 0.334 4.889 4.556 -0.000 0.000 0.338 118 H C -0.671 174.668 175.328 0.019 0.000 1.091 118 H CA -0.644 55.413 56.048 0.015 0.000 1.207 118 H CB 1.484 31.206 29.762 -0.067 0.000 1.466 118 H HN -0.174 nan 8.280 nan 0.000 0.493 119 F N 1.151 121.118 119.950 0.028 0.000 2.450 119 F HA 0.182 4.709 4.527 -0.000 0.000 0.361 119 F C 1.431 177.249 175.800 0.029 0.000 1.092 119 F CA -1.052 56.955 58.000 0.012 0.000 1.105 119 F CB 0.617 39.607 39.000 -0.018 0.000 1.458 119 F HN 0.355 nan 8.300 nan 0.000 0.496 120 K N -0.802 119.731 120.400 0.222 0.000 2.446 120 K HA 0.234 4.554 4.320 -0.000 0.000 0.203 120 K C -0.558 176.109 176.600 0.112 0.000 1.027 120 K CA 0.501 56.862 56.287 0.124 0.000 1.166 120 K CB -0.265 32.285 32.500 0.084 0.000 0.869 120 K HN 0.322 nan 8.250 nan 0.000 0.504 121 D N 0.256 120.738 120.400 0.138 0.000 2.556 121 D HA 0.216 4.856 4.640 -0.000 0.000 0.237 121 D C 0.420 176.761 176.300 0.068 0.000 1.296 121 D CA 0.301 54.349 54.000 0.080 0.000 0.807 121 D CB 1.132 41.967 40.800 0.058 0.000 1.084 121 D HN 0.315 nan 8.370 nan 0.000 0.510 122 G N 1.806 110.673 108.800 0.112 0.000 2.298 122 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.309 122 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.309 122 G C -3.098 171.908 174.900 0.177 0.000 1.279 122 G CA -0.932 44.236 45.100 0.113 0.000 1.042 122 G HN -0.095 nan 8.290 nan 0.000 0.480 123 P HA 0.542 nan 4.420 nan 0.000 0.284 123 P C 0.586 177.804 177.300 -0.136 0.000 1.292 123 P CA -0.737 62.375 63.100 0.021 0.000 0.800 123 P CB 0.489 32.145 31.700 -0.072 0.000 1.188 124 L N -0.671 120.440 121.223 -0.188 0.000 2.482 124 L HA 0.283 4.623 4.340 -0.000 0.000 0.273 124 L C 0.447 177.171 176.870 -0.244 0.000 1.228 124 L CA -0.091 54.566 54.840 -0.306 0.000 0.827 124 L CB -0.409 41.550 42.059 -0.165 0.000 1.099 124 L HN 0.360 nan 8.230 nan 0.000 0.494 125 N N 0.613 119.145 118.700 -0.280 0.000 2.143 125 N HA 0.304 5.044 4.740 -0.000 0.000 0.222 125 N C -0.503 174.949 175.510 -0.097 0.000 1.264 125 N CA -0.227 52.746 53.050 -0.128 0.000 0.897 125 N CB 0.698 39.157 38.487 -0.046 0.000 1.092 125 N HN 0.468 nan 8.380 nan 0.000 0.516 126 M N 0.876 120.361 119.600 -0.191 0.000 2.421 126 M HA 0.459 4.939 4.480 -0.000 0.000 0.287 126 M C -1.651 174.545 176.300 -0.173 0.000 1.183 126 M CA -0.534 54.668 55.300 -0.164 0.000 0.916 126 M CB 2.459 34.903 32.600 -0.261 0.000 1.701 126 M HN -0.031 nan 8.290 nan 0.000 0.470 127 I N 3.102 123.586 120.570 -0.143 0.000 2.436 127 I HA 0.497 4.667 4.170 -0.000 0.000 0.289 127 I C -0.958 175.054 176.117 -0.175 0.000 1.010 127 I CA -0.717 60.481 61.300 -0.169 0.000 1.098 127 I CB 2.391 40.312 38.000 -0.132 0.000 1.266 127 I HN 0.522 nan 8.210 nan 0.000 0.434 128 L N 6.166 127.242 121.223 -0.245 0.000 2.318 128 L HA 0.509 4.849 4.340 -0.000 0.000 0.277 128 L C -1.301 175.421 176.870 -0.247 0.000 1.008 128 L CA -0.238 54.470 54.840 -0.220 0.000 0.846 128 L CB 0.875 42.787 42.059 -0.245 0.000 1.220 128 L HN 0.526 nan 8.230 nan 0.000 0.423 129 D N 2.712 123.024 120.400 -0.147 0.000 2.340 129 D HA 0.293 4.932 4.640 -0.000 0.000 0.240 129 D C -1.076 175.199 176.300 -0.042 0.000 1.001 129 D CA -0.090 53.839 54.000 -0.120 0.000 0.888 129 D CB 2.403 43.144 40.800 -0.098 0.000 1.310 129 D HN 0.479 nan 8.370 nan 0.000 0.474 130 D N 1.261 121.646 120.400 -0.025 0.000 2.879 130 D HA 0.366 5.006 4.640 -0.000 0.000 0.351 130 D C 0.359 176.695 176.300 0.060 0.000 1.239 130 D CA -0.226 53.799 54.000 0.041 0.000 0.771 130 D CB 0.143 40.976 40.800 0.055 0.000 1.176 130 D HN 0.641 nan 8.370 nan 0.000 0.496 131 G N -0.526 108.316 108.800 0.071 0.000 3.578 131 G HA2 0.007 3.967 3.960 -0.000 0.000 0.220 131 G HA3 0.007 3.967 3.960 -0.000 0.000 0.220 131 G C 1.009 175.956 174.900 0.079 0.000 0.933 131 G CA 0.096 45.262 45.100 0.110 0.000 0.847 131 G HN 0.677 nan 8.290 nan 0.000 0.612 132 G N 0.475 109.291 108.800 0.026 0.000 2.179 132 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.260 132 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.260 132 G C 0.735 175.628 174.900 -0.012 0.000 0.977 132 G CA 1.341 46.438 45.100 -0.004 0.000 0.641 132 G HN 0.675 nan 8.290 nan 0.000 0.533 133 D N -0.103 120.302 120.400 0.009 0.000 2.144 133 D HA -0.005 4.635 4.640 -0.000 0.000 0.200 133 D C 2.333 178.611 176.300 -0.036 0.000 0.978 133 D CA 0.800 54.815 54.000 0.025 0.000 0.833 133 D CB -0.009 40.858 40.800 0.112 0.000 0.961 133 D HN 0.329 nan 8.370 nan 0.000 0.470 134 L N 0.771 121.938 121.223 -0.093 0.000 2.156 134 L HA -0.078 4.262 4.340 -0.000 0.000 0.208 134 L C 1.557 178.365 176.870 -0.103 0.000 1.095 134 L CA 1.622 56.377 54.840 -0.142 0.000 0.770 134 L CB -0.756 41.176 42.059 -0.213 0.000 0.914 134 L HN 0.084 nan 8.230 nan 0.000 0.439 135 T N -0.014 114.483 114.554 -0.096 0.000 2.770 135 T HA -0.100 4.250 4.350 -0.000 0.000 0.258 135 T C 1.626 176.268 174.700 -0.098 0.000 1.039 135 T CA 1.546 63.577 62.100 -0.116 0.000 1.143 135 T CB -0.155 68.611 68.868 -0.170 0.000 0.866 135 T HN 0.403 nan 8.240 nan 0.000 0.428 136 N N 1.068 119.726 118.700 -0.070 0.000 2.013 136 N HA -0.104 4.635 4.740 -0.000 0.000 0.195 136 N C 1.736 177.268 175.510 0.037 0.000 1.051 136 N CA 1.092 54.131 53.050 -0.019 0.000 0.851 136 N CB -0.396 38.090 38.487 -0.002 0.000 1.044 136 N HN 0.068 nan 8.380 nan 0.000 0.422 137 L N 1.513 122.753 121.223 0.028 0.000 2.030 137 L HA -0.261 4.079 4.340 -0.000 0.000 0.222 137 L C 1.779 178.713 176.870 0.107 0.000 1.082 137 L CA 1.691 56.563 54.840 0.053 0.000 0.785 137 L CB -0.679 41.396 42.059 0.026 0.000 0.895 137 L HN 0.306 nan 8.230 nan 0.000 0.439 138 I N -1.911 118.724 120.570 0.107 0.000 2.072 138 I HA -0.357 3.813 4.170 -0.000 0.000 0.235 138 I C 2.440 178.659 176.117 0.169 0.000 1.058 138 I CA 1.556 62.951 61.300 0.159 0.000 1.320 138 I CB -0.764 37.297 38.000 0.100 0.000 1.047 138 I HN 0.346 nan 8.210 nan 0.000 0.397 139 H N 0.545 119.622 119.070 0.011 0.000 2.368 139 H HA -0.213 4.343 4.556 -0.000 0.000 0.292 139 H C 2.278 177.603 175.328 -0.006 0.000 1.117 139 H CA 2.296 58.346 56.048 0.002 0.000 1.231 139 H CB -0.449 29.312 29.762 -0.001 0.000 1.359 139 H HN 0.470 nan 8.280 nan 0.000 0.490 140 T N -3.196 111.422 114.554 0.106 0.000 3.069 140 T HA 0.176 4.526 4.350 -0.000 0.000 0.252 140 T C 1.275 175.948 174.700 -0.045 0.000 1.053 140 T CA 0.149 62.265 62.100 0.027 0.000 0.964 140 T CB 0.482 69.368 68.868 0.031 0.000 1.005 140 T HN 0.258 nan 8.240 nan 0.000 0.532 141 K N -0.512 119.831 120.400 -0.095 0.000 2.529 141 K HA 0.196 4.516 4.320 -0.000 0.000 0.215 141 K C 0.209 176.433 176.600 -0.626 0.000 1.286 141 K CA -0.195 55.901 56.287 -0.319 0.000 0.997 141 K CB 0.779 33.073 32.500 -0.344 0.000 1.063 141 K HN 0.333 nan 8.250 nan 0.000 0.590 142 H N -0.265 118.802 119.070 -0.005 0.000 2.637 142 H HA 0.187 4.743 4.556 -0.000 0.000 0.245 142 H C -2.192 173.121 175.328 -0.024 0.000 1.190 142 H CA -1.505 54.537 56.048 -0.009 0.000 0.934 142 H CB 0.807 30.557 29.762 -0.020 0.000 1.950 142 H HN -0.053 nan 8.280 nan 0.000 0.614 143 P HA -0.262 nan 4.420 nan 0.000 0.219 143 P C 1.500 178.792 177.300 -0.014 0.000 1.153 143 P CA 1.610 64.689 63.100 -0.036 0.000 0.865 143 P CB 0.431 32.099 31.700 -0.053 0.000 0.788 144 Q N -0.377 119.435 119.800 0.021 0.000 2.012 144 Q HA -0.208 4.132 4.340 -0.000 0.000 0.211 144 Q C 2.180 178.193 176.000 0.021 0.000 1.009 144 Q CA 1.773 57.593 55.803 0.029 0.000 0.866 144 Q CB -1.648 27.129 28.738 0.066 0.000 0.945 144 Q HN 0.283 nan 8.270 nan 0.000 0.414 145 L N -0.158 121.086 121.223 0.035 0.000 2.187 145 L HA -0.193 4.147 4.340 -0.000 0.000 0.213 145 L C 2.044 178.906 176.870 -0.014 0.000 1.100 145 L CA 0.420 55.263 54.840 0.004 0.000 0.765 145 L CB -0.797 41.246 42.059 -0.027 0.000 0.904 145 L HN 0.227 nan 8.230 nan 0.000 0.437 146 L N 0.074 121.282 121.223 -0.024 0.000 1.991 146 L HA -0.297 4.043 4.340 -0.000 0.000 0.221 146 L C 2.709 179.564 176.870 -0.025 0.000 1.079 146 L CA 2.232 57.047 54.840 -0.042 0.000 0.778 146 L CB -1.502 40.489 42.059 -0.114 0.000 0.893 146 L HN 0.327 nan 8.230 nan 0.000 0.437 147 S N -0.324 115.361 115.700 -0.025 0.000 2.440 147 S HA -0.145 4.325 4.470 -0.000 0.000 0.240 147 S C 1.777 176.373 174.600 -0.006 0.000 1.014 147 S CA 1.073 59.264 58.200 -0.015 0.000 0.980 147 S CB -0.504 62.688 63.200 -0.014 0.000 0.775 147 S HN 0.667 nan 8.310 nan 0.000 0.499 148 G N 0.187 108.984 108.800 -0.006 0.000 2.838 148 G HA2 0.278 4.238 3.960 -0.000 0.000 0.210 148 G HA3 0.278 4.238 3.960 -0.000 0.000 0.210 148 G C 0.351 175.252 174.900 0.001 0.000 1.153 148 G CA -0.276 44.822 45.100 -0.002 0.000 0.778 148 G HN 0.413 nan 8.290 nan 0.000 0.539 149 I N 0.227 120.796 120.570 -0.001 0.000 2.365 149 I HA 0.319 4.489 4.170 -0.000 0.000 0.291 149 I C 1.414 177.552 176.117 0.034 0.000 1.004 149 I CA -0.565 60.738 61.300 0.005 0.000 1.311 149 I CB 2.031 40.028 38.000 -0.005 0.000 1.401 149 I HN -0.039 nan 8.210 nan 0.000 0.491 150 R N 3.953 124.496 120.500 0.071 0.000 2.112 150 R HA 0.231 4.570 4.340 -0.000 0.000 0.216 150 R C 0.633 176.964 176.300 0.052 0.000 1.080 150 R CA 0.593 56.742 56.100 0.083 0.000 0.996 150 R CB 0.353 30.766 30.300 0.188 0.000 0.902 150 R HN 0.873 nan 8.270 nan 0.000 0.449 151 G N -0.440 108.382 108.800 0.037 0.000 2.660 151 G HA2 0.552 4.512 3.960 -0.000 0.000 0.290 151 G HA3 0.552 4.512 3.960 -0.000 0.000 0.290 151 G C -1.575 173.306 174.900 -0.032 0.000 1.432 151 G CA -0.765 44.332 45.100 -0.006 0.000 0.807 151 G HN 0.075 nan 8.290 nan 0.000 0.485 152 I N 0.800 121.344 120.570 -0.043 0.000 2.569 152 I HA 0.453 4.623 4.170 -0.000 0.000 0.290 152 I C -0.325 175.755 176.117 -0.060 0.000 1.088 152 I CA -0.931 60.334 61.300 -0.058 0.000 1.047 152 I CB 2.669 40.638 38.000 -0.051 0.000 1.237 152 I HN 0.508 nan 8.210 nan 0.000 0.421 153 S N 3.826 119.486 115.700 -0.067 0.000 2.640 153 S HA 0.534 5.004 4.470 -0.000 0.000 0.320 153 S C -0.702 173.878 174.600 -0.033 0.000 1.097 153 S CA -0.849 57.321 58.200 -0.049 0.000 1.092 153 S CB 1.766 64.934 63.200 -0.054 0.000 0.988 153 S HN 0.476 nan 8.310 nan 0.000 0.470 154 E N 1.346 121.539 120.200 -0.011 0.000 2.214 154 E HA 0.319 4.669 4.350 -0.000 0.000 0.274 154 E C -0.089 176.531 176.600 0.034 0.000 0.977 154 E CA -0.333 56.074 56.400 0.010 0.000 0.827 154 E CB 1.689 31.401 29.700 0.019 0.000 1.130 154 E HN 0.906 nan 8.360 nan 0.000 0.394 155 E N 1.248 121.481 120.200 0.054 0.000 2.676 155 E HA 0.051 4.401 4.350 -0.000 0.000 0.225 155 E C -0.563 176.081 176.600 0.072 0.000 0.944 155 E CA 0.076 56.514 56.400 0.064 0.000 1.156 155 E CB 0.713 30.468 29.700 0.091 0.000 1.117 155 E HN 0.469 nan 8.360 nan 0.000 0.523 156 T N -2.104 112.508 114.554 0.095 0.000 2.856 156 T HA 0.270 4.619 4.350 -0.000 0.000 0.283 156 T C 1.135 175.929 174.700 0.155 0.000 1.008 156 T CA -0.303 61.870 62.100 0.122 0.000 0.997 156 T CB 1.791 70.776 68.868 0.195 0.000 0.992 156 T HN -0.174 nan 8.240 nan 0.000 0.454 157 T N 2.695 117.338 114.554 0.147 0.000 2.624 157 T HA -0.190 4.160 4.350 -0.000 0.000 0.268 157 T C 2.129 176.967 174.700 0.230 0.000 1.041 157 T CA 2.491 64.695 62.100 0.174 0.000 1.159 157 T CB -1.057 67.895 68.868 0.141 0.000 0.863 157 T HN 0.917 nan 8.240 nan 0.000 0.434 158 T N 0.648 115.360 114.554 0.263 0.000 2.833 158 T HA 0.013 4.363 4.350 -0.000 0.000 0.269 158 T C 2.231 177.068 174.700 0.229 0.000 1.054 158 T CA 1.151 63.401 62.100 0.250 0.000 1.135 158 T CB -0.816 68.240 68.868 0.314 0.000 0.869 158 T HN 0.509 nan 8.240 nan 0.000 0.466 159 G N 1.224 110.148 108.800 0.206 0.000 2.395 159 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.214 159 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.214 159 G C 1.643 176.632 174.900 0.149 0.000 1.177 159 G CA 0.561 45.749 45.100 0.146 0.000 0.794 159 G HN 0.428 nan 8.290 nan 0.000 0.532 160 V N 0.955 120.979 119.914 0.182 0.000 2.252 160 V HA -0.287 3.833 4.120 -0.000 0.000 0.249 160 V C 2.396 178.687 176.094 0.330 0.000 1.056 160 V CA 2.578 65.005 62.300 0.212 0.000 1.022 160 V CB -0.954 31.037 31.823 0.280 0.000 0.641 160 V HN 0.613 nan 8.190 nan 0.000 0.445 161 H N 0.929 120.169 119.070 0.283 0.000 2.265 161 H HA -0.269 4.287 4.556 -0.000 0.000 0.293 161 H C 2.253 177.713 175.328 0.221 0.000 1.089 161 H CA 2.525 58.742 56.048 0.280 0.000 1.244 161 H CB -0.341 29.519 29.762 0.163 0.000 1.355 161 H HN 0.417 nan 8.280 nan 0.000 0.485 162 N N -0.139 118.722 118.700 0.267 0.000 2.258 162 N HA -0.149 4.591 4.740 -0.000 0.000 0.187 162 N C 1.905 177.435 175.510 0.033 0.000 1.012 162 N CA 1.350 54.483 53.050 0.138 0.000 0.870 162 N CB -0.287 38.273 38.487 0.122 0.000 0.977 162 N HN 0.476 nan 8.380 nan 0.000 0.434 163 L N -1.188 120.047 121.223 0.020 0.000 2.023 163 L HA -0.164 4.175 4.340 -0.000 0.000 0.205 163 L C 1.733 178.556 176.870 -0.079 0.000 1.073 163 L CA 1.074 55.870 54.840 -0.072 0.000 0.745 163 L CB -0.653 41.325 42.059 -0.134 0.000 0.900 163 L HN 0.203 nan 8.230 nan 0.000 0.435 164 Y N 0.467 120.731 120.300 -0.059 0.000 2.151 164 Y HA -0.346 4.204 4.550 -0.000 0.000 0.284 164 Y C 2.708 178.539 175.900 -0.115 0.000 1.166 164 Y CA 1.852 59.898 58.100 -0.090 0.000 1.163 164 Y CB -0.395 37.989 38.460 -0.126 0.000 0.974 164 Y HN 0.137 nan 8.280 nan 0.000 0.511 165 K N 0.196 120.591 120.400 -0.008 0.000 1.973 165 K HA -0.223 4.097 4.320 -0.000 0.000 0.212 165 K C 2.044 178.649 176.600 0.008 0.000 1.047 165 K CA 1.943 58.210 56.287 -0.034 0.000 0.937 165 K CB -0.355 32.116 32.500 -0.047 0.000 0.721 165 K HN 0.224 nan 8.250 nan 0.000 0.440 166 M N 0.164 119.772 119.600 0.013 0.000 2.108 166 M HA -0.246 4.234 4.480 -0.000 0.000 0.257 166 M C 2.422 178.746 176.300 0.040 0.000 1.071 166 M CA 1.749 57.071 55.300 0.036 0.000 1.093 166 M CB -0.387 32.232 32.600 0.032 0.000 1.345 166 M HN 0.322 nan 8.290 nan 0.000 0.403 167 M N 0.794 120.406 119.600 0.021 0.000 2.099 167 M HA -0.020 4.460 4.480 -0.000 0.000 0.262 167 M C 2.210 178.526 176.300 0.026 0.000 1.067 167 M CA 2.109 57.421 55.300 0.020 0.000 1.124 167 M CB -0.664 31.930 32.600 -0.012 0.000 1.353 167 M HN 0.185 nan 8.290 nan 0.000 0.410 168 A N 0.195 123.034 122.820 0.030 0.000 1.972 168 A HA -0.115 4.204 4.320 -0.000 0.000 0.219 168 A C 1.402 178.998 177.584 0.021 0.000 1.169 168 A CA 1.821 53.874 52.037 0.026 0.000 0.635 168 A CB -0.865 18.149 19.000 0.023 0.000 0.810 168 A HN 0.698 nan 8.150 nan 0.000 0.446 169 N N -0.581 118.133 118.700 0.023 0.000 2.279 169 N HA 0.260 5.000 4.740 -0.000 0.000 0.226 169 N C 0.864 176.389 175.510 0.025 0.000 1.126 169 N CA 0.665 53.729 53.050 0.023 0.000 0.846 169 N CB 0.201 38.703 38.487 0.025 0.000 1.050 169 N HN 0.524 nan 8.380 nan 0.000 0.502 170 G N 0.998 109.814 108.800 0.026 0.000 2.283 170 G HA2 -0.286 3.673 3.960 -0.000 0.000 0.280 170 G HA3 -0.286 3.673 3.960 -0.000 0.000 0.280 170 G C 0.723 175.642 174.900 0.031 0.000 1.029 170 G CA 0.691 45.806 45.100 0.025 0.000 0.840 170 G HN 0.459 nan 8.290 nan 0.000 0.505 171 I N -1.306 119.296 120.570 0.053 0.000 3.300 171 I HA 0.261 4.431 4.170 -0.000 0.000 0.279 171 I C 1.425 177.623 176.117 0.134 0.000 1.172 171 I CA -0.423 60.923 61.300 0.077 0.000 1.431 171 I CB -0.051 38.014 38.000 0.108 0.000 1.240 171 I HN 0.226 nan 8.210 nan 0.000 0.453 172 L N 2.727 124.053 121.223 0.170 0.000 2.628 172 L HA -0.071 4.269 4.340 -0.000 0.000 0.274 172 L C 0.543 177.518 176.870 0.175 0.000 1.209 172 L CA 1.134 56.138 54.840 0.273 0.000 0.930 172 L CB -0.097 42.030 42.059 0.113 0.000 1.183 172 L HN 0.132 nan 8.230 nan 0.000 0.492 173 K N 3.761 124.265 120.400 0.174 0.000 2.478 173 K HA 0.364 4.684 4.320 -0.000 0.000 0.205 173 K C -1.167 175.466 176.600 0.056 0.000 1.033 173 K CA -0.155 56.145 56.287 0.022 0.000 1.091 173 K CB 0.712 33.139 32.500 -0.121 0.000 0.844 173 K HN 0.442 nan 8.250 nan 0.000 0.507 174 V N 1.922 121.909 119.914 0.122 0.000 2.971 174 V HA 0.339 4.458 4.120 -0.000 0.000 0.309 174 V C -2.620 173.527 176.094 0.089 0.000 1.130 174 V CA -2.273 60.084 62.300 0.096 0.000 0.964 174 V CB 2.183 34.074 31.823 0.114 0.000 1.029 174 V HN 0.000 nan 8.190 nan 0.000 0.427 175 P HA 0.511 nan 4.420 nan 0.000 0.279 175 P C -0.899 176.444 177.300 0.072 0.000 1.239 175 P CA -0.022 63.147 63.100 0.114 0.000 0.789 175 P CB 1.665 33.421 31.700 0.095 0.000 0.933 176 A N 3.491 126.378 122.820 0.112 0.000 2.423 176 A HA 0.769 5.089 4.320 -0.000 0.000 0.304 176 A C -0.761 176.884 177.584 0.102 0.000 1.104 176 A CA -0.917 51.147 52.037 0.044 0.000 0.757 176 A CB 1.246 20.240 19.000 -0.010 0.000 1.313 176 A HN 0.495 nan 8.150 nan 0.000 0.423 177 I N 1.931 122.522 120.570 0.036 0.000 2.411 177 I HA 0.170 4.340 4.170 -0.000 0.000 0.284 177 I C -0.456 175.710 176.117 0.080 0.000 1.012 177 I CA -0.659 60.692 61.300 0.085 0.000 1.119 177 I CB 1.722 39.702 38.000 -0.034 0.000 1.261 177 I HN 0.731 nan 8.210 nan 0.000 0.448 178 N N 6.393 125.188 118.700 0.159 0.000 2.434 178 N HA 0.043 4.783 4.740 -0.000 0.000 0.273 178 N C 0.672 176.166 175.510 -0.027 0.000 1.210 178 N CA 0.200 53.309 53.050 0.098 0.000 0.992 178 N CB 0.895 39.535 38.487 0.254 0.000 1.355 178 N HN 0.407 nan 8.380 nan 0.000 0.495 179 V N 3.358 123.262 119.914 -0.015 0.000 2.515 179 V HA -0.199 3.921 4.120 -0.000 0.000 0.250 179 V C 2.128 178.181 176.094 -0.069 0.000 1.058 179 V CA 1.638 63.917 62.300 -0.035 0.000 1.064 179 V CB -0.891 30.933 31.823 0.003 0.000 0.675 179 V HN 0.758 nan 8.190 nan 0.000 0.461 180 N N 0.594 119.264 118.700 -0.049 0.000 2.258 180 N HA -0.191 4.549 4.740 -0.000 0.000 0.187 180 N C 1.019 176.462 175.510 -0.112 0.000 1.012 180 N CA 1.459 54.482 53.050 -0.045 0.000 0.870 180 N CB -0.137 38.352 38.487 0.003 0.000 0.977 180 N HN 0.396 nan 8.380 nan 0.000 0.434 181 D N -0.466 119.778 120.400 -0.261 0.000 2.336 181 D HA 0.120 4.760 4.640 -0.000 0.000 0.228 181 D C -0.307 175.809 176.300 -0.307 0.000 1.120 181 D CA 0.124 53.906 54.000 -0.364 0.000 0.839 181 D CB 0.125 40.473 40.800 -0.753 0.000 0.932 181 D HN 0.157 nan 8.370 nan 0.000 0.509 182 S N -0.661 114.927 115.700 -0.186 0.000 2.632 182 S HA 0.161 4.631 4.470 -0.000 0.000 0.267 182 S C 1.801 176.357 174.600 -0.075 0.000 1.276 182 S CA -0.787 57.353 58.200 -0.100 0.000 0.998 182 S CB 2.203 65.373 63.200 -0.051 0.000 0.953 182 S HN -0.106 nan 8.310 nan 0.000 0.547 183 V N 1.777 121.643 119.914 -0.081 0.000 2.283 183 V HA -0.150 3.970 4.120 -0.000 0.000 0.243 183 V C 2.792 178.865 176.094 -0.034 0.000 1.039 183 V CA 2.144 64.371 62.300 -0.122 0.000 1.016 183 V CB -1.533 30.077 31.823 -0.356 0.000 0.650 183 V HN 1.113 nan 8.190 nan 0.000 0.449 184 T N -1.154 113.406 114.554 0.009 0.000 2.946 184 T HA -0.230 4.119 4.350 -0.000 0.000 0.271 184 T C 1.677 176.453 174.700 0.127 0.000 1.104 184 T CA 1.784 63.962 62.100 0.130 0.000 1.114 184 T CB -0.481 68.410 68.868 0.039 0.000 0.867 184 T HN 0.521 nan 8.240 nan 0.000 0.513 185 N N 0.665 119.392 118.700 0.045 0.000 2.436 185 N HA -0.026 4.714 4.740 -0.000 0.000 0.178 185 N C 2.090 177.624 175.510 0.040 0.000 1.026 185 N CA 1.213 54.282 53.050 0.033 0.000 0.880 185 N CB 0.030 38.517 38.487 0.001 0.000 1.061 185 N HN 0.451 nan 8.380 nan 0.000 0.434 186 S N 1.071 116.770 115.700 -0.002 0.000 2.344 186 S HA -0.058 4.412 4.470 -0.000 0.000 0.217 186 S C 1.851 176.415 174.600 -0.061 0.000 1.033 186 S CA 0.976 59.156 58.200 -0.034 0.000 1.017 186 S CB -0.239 62.927 63.200 -0.056 0.000 0.941 186 S HN 0.190 nan 8.310 nan 0.000 0.430 187 K N 0.092 120.436 120.400 -0.093 0.000 2.044 187 K HA -0.078 4.242 4.320 -0.000 0.000 0.210 187 K C 1.888 178.279 176.600 -0.347 0.000 1.049 187 K CA 1.530 57.645 56.287 -0.285 0.000 0.927 187 K CB -0.781 31.538 32.500 -0.303 0.000 0.713 187 K HN 0.504 nan 8.250 nan 0.000 0.443 188 F N 1.499 121.395 119.950 -0.090 0.000 2.098 188 F HA -0.154 4.373 4.527 -0.000 0.000 0.294 188 F C 2.442 178.235 175.800 -0.013 0.000 1.107 188 F CA 1.429 59.450 58.000 0.036 0.000 1.234 188 F CB -0.348 38.676 39.000 0.039 0.000 1.002 188 F HN 0.086 nan 8.300 nan 0.000 0.472 189 D N -0.070 120.443 120.400 0.189 0.000 2.178 189 D HA -0.154 4.486 4.640 -0.000 0.000 0.201 189 D C 1.446 177.818 176.300 0.121 0.000 0.980 189 D CA 1.405 55.503 54.000 0.163 0.000 0.842 189 D CB -0.260 40.586 40.800 0.078 0.000 0.948 189 D HN 0.421 nan 8.370 nan 0.000 0.472 190 N N -0.730 117.964 118.700 -0.010 0.000 2.420 190 N HA 0.058 4.798 4.740 -0.000 0.000 0.185 190 N C 1.846 177.256 175.510 -0.166 0.000 1.033 190 N CA 0.002 53.005 53.050 -0.078 0.000 0.879 190 N CB 0.607 39.032 38.487 -0.105 0.000 1.071 190 N HN 0.084 nan 8.380 nan 0.000 0.437 191 L N 0.098 121.146 121.223 -0.292 0.000 2.116 191 L HA 0.008 4.347 4.340 -0.000 0.000 0.200 191 L C 1.871 178.550 176.870 -0.318 0.000 1.084 191 L CA 0.849 55.454 54.840 -0.392 0.000 0.766 191 L CB -0.225 41.447 42.059 -0.646 0.000 0.930 191 L HN 0.087 nan 8.230 nan 0.000 0.453 192 Y N 0.209 120.355 120.300 -0.257 0.000 2.293 192 Y HA -0.073 4.477 4.550 -0.000 0.000 0.291 192 Y C 2.436 178.192 175.900 -0.240 0.000 1.137 192 Y CA 0.711 58.651 58.100 -0.267 0.000 1.202 192 Y CB -1.558 36.635 38.460 -0.445 0.000 0.990 192 Y HN 0.214 nan 8.280 nan 0.000 0.537 193 G N -0.706 107.994 108.800 -0.165 0.000 2.453 193 G HA2 -0.246 3.713 3.960 -0.000 0.000 0.215 193 G HA3 -0.246 3.713 3.960 -0.000 0.000 0.215 193 G C 1.697 176.111 174.900 -0.810 0.000 1.201 193 G CA 1.415 46.109 45.100 -0.676 0.000 0.784 193 G HN 0.477 nan 8.290 nan 0.000 0.545 194 C N -0.107 118.904 119.300 -0.483 0.000 2.432 194 C HA 0.154 4.614 4.460 -0.000 0.000 0.280 194 C C 2.746 177.658 174.990 -0.130 0.000 1.353 194 C CA 0.504 59.387 59.018 -0.225 0.000 1.766 194 C CB -0.920 26.761 27.740 -0.098 0.000 1.924 194 C HN 0.520 nan 8.230 nan 0.000 0.509 195 R N 1.168 121.600 120.500 -0.114 0.000 2.075 195 R HA -0.102 4.237 4.340 -0.000 0.000 0.232 195 R C 2.076 178.370 176.300 -0.010 0.000 1.126 195 R CA 1.217 57.295 56.100 -0.038 0.000 0.963 195 R CB -0.146 30.153 30.300 -0.001 0.000 0.858 195 R HN 0.531 nan 8.270 nan 0.000 0.435 196 E N -0.209 119.970 120.200 -0.036 0.000 2.216 196 E HA -0.076 4.274 4.350 -0.000 0.000 0.192 196 E C 1.266 177.874 176.600 0.015 0.000 0.988 196 E CA 1.342 57.739 56.400 -0.004 0.000 0.834 196 E CB 0.367 30.062 29.700 -0.008 0.000 0.772 196 E HN 0.385 nan 8.360 nan 0.000 0.479 197 S N -0.337 115.356 115.700 -0.012 0.000 2.650 197 S HA 0.081 4.551 4.470 -0.000 0.000 0.240 197 S C 1.487 176.107 174.600 0.033 0.000 1.007 197 S CA -0.376 57.842 58.200 0.030 0.000 0.984 197 S CB 0.204 63.446 63.200 0.070 0.000 0.910 197 S HN 0.075 nan 8.310 nan 0.000 0.509 198 L N 1.620 122.855 121.223 0.020 0.000 2.023 198 L HA 0.367 4.707 4.340 -0.000 0.000 0.205 198 L C 1.838 178.714 176.870 0.010 0.000 1.073 198 L CA 1.633 56.484 54.840 0.018 0.000 0.745 198 L CB -0.728 41.337 42.059 0.009 0.000 0.900 198 L HN 0.274 nan 8.230 nan 0.000 0.435 199 I N 0.422 121.000 120.570 0.014 0.000 2.361 199 I HA -0.232 3.937 4.170 -0.000 0.000 0.251 199 I C 2.142 178.233 176.117 -0.043 0.000 1.133 199 I CA 1.383 62.653 61.300 -0.050 0.000 1.413 199 I CB -0.621 37.325 38.000 -0.089 0.000 1.073 199 I HN 0.386 nan 8.210 nan 0.000 0.424 200 D N 0.618 121.025 120.400 0.012 0.000 2.104 200 D HA -0.155 4.485 4.640 -0.000 0.000 0.194 200 D C 2.369 178.674 176.300 0.009 0.000 0.994 200 D CA 1.663 55.675 54.000 0.019 0.000 0.830 200 D CB -0.507 40.320 40.800 0.045 0.000 0.959 200 D HN 0.279 nan 8.370 nan 0.000 0.452 201 G N 0.700 109.510 108.800 0.016 0.000 2.446 201 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.217 201 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.217 201 G C 1.884 176.785 174.900 0.002 0.000 1.168 201 G CA 0.960 46.070 45.100 0.016 0.000 0.771 201 G HN 0.388 nan 8.290 nan 0.000 0.551 202 I N 0.080 120.642 120.570 -0.014 0.000 2.252 202 I HA -0.116 4.053 4.170 -0.000 0.000 0.245 202 I C 2.761 178.853 176.117 -0.042 0.000 1.102 202 I CA 0.902 62.186 61.300 -0.027 0.000 1.385 202 I CB -0.259 37.711 38.000 -0.050 0.000 1.064 202 I HN 0.012 nan 8.210 nan 0.000 0.414 203 K N 1.376 121.739 120.400 -0.061 0.000 1.985 203 K HA -0.108 4.212 4.320 -0.000 0.000 0.210 203 K C 2.141 178.724 176.600 -0.027 0.000 1.047 203 K CA 1.456 57.706 56.287 -0.062 0.000 0.932 203 K CB -0.612 31.847 32.500 -0.069 0.000 0.716 203 K HN 0.332 nan 8.250 nan 0.000 0.439 204 R N 0.513 121.006 120.500 -0.010 0.000 2.103 204 R HA -0.121 4.219 4.340 -0.000 0.000 0.242 204 R C 2.363 178.664 176.300 0.001 0.000 1.142 204 R CA 1.421 57.523 56.100 0.003 0.000 0.960 204 R CB -0.532 29.777 30.300 0.014 0.000 0.858 204 R HN 0.207 nan 8.270 nan 0.000 0.439 205 A N 0.938 123.758 122.820 0.000 0.000 1.825 205 A HA -0.170 4.149 4.320 -0.000 0.000 0.214 205 A C 2.342 179.926 177.584 -0.000 0.000 1.206 205 A CA 2.177 54.216 52.037 0.003 0.000 0.609 205 A CB -0.963 18.042 19.000 0.008 0.000 0.851 205 A HN 0.493 nan 8.150 nan 0.000 0.445 206 T N -5.240 109.312 114.554 -0.004 0.000 3.051 206 T HA 0.116 4.466 4.350 -0.000 0.000 0.255 206 T C 0.466 175.157 174.700 -0.015 0.000 1.085 206 T CA 0.934 63.030 62.100 -0.005 0.000 1.109 206 T CB -0.036 68.831 68.868 -0.002 0.000 0.921 206 T HN 0.436 nan 8.240 nan 0.000 0.488 207 D N 0.496 120.881 120.400 -0.025 0.000 2.983 207 D HA -0.135 4.505 4.640 -0.000 0.000 0.225 207 D C 0.165 176.442 176.300 -0.038 0.000 1.174 207 D CA 0.525 54.507 54.000 -0.030 0.000 0.831 207 D CB -1.635 39.156 40.800 -0.015 0.000 1.104 207 D HN 0.500 nan 8.370 nan 0.000 0.421 208 V N 0.672 120.559 119.914 -0.045 0.000 3.051 208 V HA 0.232 4.352 4.120 -0.000 0.000 0.306 208 V C 0.762 176.811 176.094 -0.075 0.000 1.083 208 V CA -0.292 61.980 62.300 -0.046 0.000 1.104 208 V CB 1.540 33.341 31.823 -0.037 0.000 1.027 208 V HN 0.229 nan 8.190 nan 0.000 0.483 209 M N 5.410 124.976 119.600 -0.057 0.000 2.180 209 M HA 0.299 4.779 4.480 -0.000 0.000 0.358 209 M C 0.222 176.473 176.300 -0.082 0.000 1.233 209 M CA -0.200 55.062 55.300 -0.063 0.000 1.114 209 M CB 0.908 33.494 32.600 -0.023 0.000 1.594 209 M HN 0.612 nan 8.290 nan 0.000 0.467 210 I N 3.022 123.512 120.570 -0.134 0.000 2.400 210 I HA 0.107 4.277 4.170 -0.000 0.000 0.248 210 I C 1.426 177.537 176.117 -0.009 0.000 1.109 210 I CA 0.533 61.757 61.300 -0.127 0.000 1.425 210 I CB -1.602 36.215 38.000 -0.306 0.000 1.094 210 I HN 0.819 nan 8.210 nan 0.000 0.425 211 A N 0.495 123.346 122.820 0.051 0.000 2.507 211 A HA 0.366 4.686 4.320 -0.000 0.000 0.235 211 A C 1.605 179.210 177.584 0.035 0.000 1.070 211 A CA 0.804 52.888 52.037 0.078 0.000 0.768 211 A CB -0.388 18.671 19.000 0.098 0.000 1.011 211 A HN 0.748 nan 8.150 nan 0.000 0.502 212 G N 0.320 109.139 108.800 0.032 0.000 2.257 212 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.267 212 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.267 212 G C 0.437 175.338 174.900 0.002 0.000 0.984 212 G CA 1.236 46.344 45.100 0.015 0.000 0.626 212 G HN 0.886 nan 8.290 nan 0.000 0.540 213 K N -0.176 120.222 120.400 -0.004 0.000 2.098 213 K HA 0.603 4.923 4.320 -0.000 0.000 0.261 213 K C 0.026 176.603 176.600 -0.038 0.000 0.987 213 K CA -0.672 55.600 56.287 -0.024 0.000 0.916 213 K CB 1.943 34.422 32.500 -0.035 0.000 1.039 213 K HN -0.018 nan 8.250 nan 0.000 0.455 214 V N 2.628 122.503 119.914 -0.066 0.000 2.364 214 V HA 0.343 4.462 4.120 -0.000 0.000 0.272 214 V C -0.418 175.572 176.094 -0.173 0.000 1.036 214 V CA -0.542 61.701 62.300 -0.095 0.000 0.880 214 V CB 0.946 32.712 31.823 -0.096 0.000 0.991 214 V HN 0.834 nan 8.190 nan 0.000 0.460 215 A N 5.635 128.356 122.820 -0.165 0.000 2.303 215 A HA 0.774 5.093 4.320 -0.000 0.000 0.320 215 A C -0.600 176.820 177.584 -0.273 0.000 1.192 215 A CA -0.489 51.408 52.037 -0.233 0.000 0.821 215 A CB 1.265 20.184 19.000 -0.136 0.000 1.188 215 A HN 0.596 nan 8.150 nan 0.000 0.492 216 V N 3.383 123.031 119.914 -0.444 0.000 2.407 216 V HA 0.377 4.497 4.120 -0.000 0.000 0.278 216 V C -0.247 175.741 176.094 -0.177 0.000 1.037 216 V CA -0.295 61.802 62.300 -0.339 0.000 0.900 216 V CB 1.291 32.823 31.823 -0.485 0.000 0.983 216 V HN 0.598 nan 8.190 nan 0.000 0.459 217 V N 4.537 124.383 119.914 -0.113 0.000 2.407 217 V HA 0.634 4.754 4.120 -0.000 0.000 0.291 217 V C 0.370 176.447 176.094 -0.028 0.000 1.018 217 V CA -0.653 61.611 62.300 -0.061 0.000 0.842 217 V CB 1.654 33.426 31.823 -0.084 0.000 0.996 217 V HN 0.940 nan 8.190 nan 0.000 0.426 218 A N 3.988 126.808 122.820 -0.000 0.000 2.279 218 A HA 0.808 5.127 4.320 -0.000 0.000 0.306 218 A C 0.668 178.261 177.584 0.015 0.000 1.300 218 A CA 0.348 52.388 52.037 0.005 0.000 0.925 218 A CB -0.031 18.971 19.000 0.003 0.000 1.152 218 A HN 2.000 nan 8.150 nan 0.000 0.544 219 G N 0.814 109.633 108.800 0.032 0.000 3.367 219 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.686 219 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.686 219 G C -0.640 174.310 174.900 0.083 0.000 1.146 219 G CA -0.434 44.694 45.100 0.046 0.000 0.913 219 G HN 1.157 nan 8.290 nan 0.000 0.554 220 Y N 2.867 123.141 120.300 -0.043 0.000 2.708 220 Y HA 0.483 5.033 4.550 0.000 0.000 0.287 220 Y C 1.561 177.439 175.900 -0.037 0.000 1.145 220 Y CA 0.263 58.334 58.100 -0.048 0.000 1.249 220 Y CB 0.007 38.448 38.460 -0.032 0.000 1.152 220 Y HN 0.889 nan 8.280 nan 0.000 0.532 221 G N 0.058 108.780 108.800 -0.131 0.000 2.447 221 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.269 221 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.269 221 G C 0.704 175.448 174.900 -0.260 0.000 1.455 221 G CA 0.211 45.222 45.100 -0.148 0.000 1.061 221 G HN 0.224 nan 8.290 nan 0.000 0.545 222 D N -1.245 119.035 120.400 -0.199 0.000 2.078 222 D HA -0.118 4.521 4.640 -0.000 0.000 0.193 222 D C 2.809 178.966 176.300 -0.238 0.000 0.990 222 D CA 0.991 54.850 54.000 -0.235 0.000 0.827 222 D CB -0.536 40.149 40.800 -0.192 0.000 0.975 222 D HN 0.039 nan 8.370 nan 0.000 0.451 223 V N 1.034 120.844 119.914 -0.173 0.000 2.287 223 V HA -0.217 3.903 4.120 -0.000 0.000 0.248 223 V C 2.529 178.529 176.094 -0.156 0.000 1.053 223 V CA 2.139 64.355 62.300 -0.141 0.000 1.027 223 V CB -1.058 30.712 31.823 -0.089 0.000 0.646 223 V HN 0.264 nan 8.190 nan 0.000 0.447 224 G N -0.703 107.994 108.800 -0.173 0.000 2.422 224 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.218 224 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.218 224 G C 1.678 176.406 174.900 -0.287 0.000 1.146 224 G CA 0.899 45.896 45.100 -0.173 0.000 0.769 224 G HN 0.477 nan 8.290 nan 0.000 0.547 225 K N -0.008 120.104 120.400 -0.481 0.000 2.026 225 K HA -0.022 4.298 4.320 -0.000 0.000 0.208 225 K C 2.777 179.242 176.600 -0.225 0.000 1.048 225 K CA 0.983 56.943 56.287 -0.545 0.000 0.929 225 K CB -0.405 31.739 32.500 -0.593 0.000 0.713 225 K HN 0.262 nan 8.250 nan 0.000 0.439 226 G N 0.701 109.384 108.800 -0.195 0.000 2.422 226 G HA2 -0.247 3.712 3.960 -0.000 0.000 0.218 226 G HA3 -0.247 3.712 3.960 -0.000 0.000 0.218 226 G C 1.583 176.445 174.900 -0.063 0.000 1.146 226 G CA 0.944 45.976 45.100 -0.113 0.000 0.769 226 G HN 0.322 nan 8.290 nan 0.000 0.547 227 C N 0.848 120.100 119.300 -0.079 0.000 2.440 227 C HA 0.251 4.711 4.460 -0.000 0.000 0.278 227 C C 3.506 178.474 174.990 -0.038 0.000 1.295 227 C CA 0.649 59.640 59.018 -0.045 0.000 1.738 227 C CB -0.851 26.857 27.740 -0.052 0.000 1.987 227 C HN 0.555 nan 8.230 nan 0.000 0.492 228 A N -0.133 122.640 122.820 -0.079 0.000 1.969 228 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 228 A C 2.154 179.750 177.584 0.020 0.000 1.169 228 A CA 1.797 53.748 52.037 -0.143 0.000 0.635 228 A CB -0.641 18.184 19.000 -0.291 0.000 0.810 228 A HN 0.737 nan 8.150 nan 0.000 0.445 229 Q N -0.844 119.004 119.800 0.080 0.000 2.212 229 Q HA 0.064 4.404 4.340 -0.000 0.000 0.199 229 Q C 2.104 178.162 176.000 0.097 0.000 0.950 229 Q CA 1.010 56.897 55.803 0.139 0.000 0.863 229 Q CB -0.249 28.550 28.738 0.103 0.000 0.944 229 Q HN 0.580 nan 8.270 nan 0.000 0.465 230 A N 0.977 123.843 122.820 0.077 0.000 1.855 230 A HA -0.132 4.188 4.320 -0.000 0.000 0.215 230 A C 2.017 179.719 177.584 0.197 0.000 1.191 230 A CA 1.120 53.225 52.037 0.112 0.000 0.613 230 A CB -0.793 18.267 19.000 0.099 0.000 0.829 230 A HN 0.426 nan 8.150 nan 0.000 0.442 231 L N -1.110 120.202 121.223 0.149 0.000 2.042 231 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 231 L C 2.816 179.796 176.870 0.183 0.000 1.076 231 L CA 1.814 56.751 54.840 0.160 0.000 0.749 231 L CB -0.473 41.617 42.059 0.051 0.000 0.893 231 L HN 0.436 nan 8.230 nan 0.000 0.432 232 R N 0.312 120.907 120.500 0.157 0.000 2.115 232 R HA -0.095 4.244 4.340 -0.000 0.000 0.226 232 R C 2.249 178.611 176.300 0.103 0.000 1.100 232 R CA 1.098 57.294 56.100 0.159 0.000 0.980 232 R CB -0.333 30.111 30.300 0.241 0.000 0.875 232 R HN 0.378 nan 8.270 nan 0.000 0.445 233 G N -0.439 108.400 108.800 0.064 0.000 2.470 233 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.220 233 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.220 233 G C 0.982 175.788 174.900 -0.156 0.000 1.121 233 G CA 0.319 45.381 45.100 -0.062 0.000 0.766 233 G HN 0.268 nan 8.290 nan 0.000 0.553 234 F N 0.237 120.196 119.950 0.015 0.000 2.569 234 F HA 0.309 4.835 4.527 -0.000 0.000 0.295 234 F C 2.139 177.943 175.800 0.007 0.000 1.115 234 F CA 0.852 58.857 58.000 0.008 0.000 1.450 234 F CB 0.616 39.618 39.000 0.005 0.000 1.107 234 F HN 0.277 nan 8.300 nan 0.000 0.563 235 G N -0.466 108.432 108.800 0.164 0.000 2.183 235 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.168 235 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.168 235 G C 0.236 175.190 174.900 0.089 0.000 1.008 235 G CA -0.276 44.886 45.100 0.103 0.000 0.677 235 G HN 0.532 nan 8.290 nan 0.000 0.498 236 A N -0.093 122.789 122.820 0.104 0.000 2.287 236 A HA 0.825 5.145 4.320 -0.000 0.000 0.273 236 A C 0.568 178.185 177.584 0.055 0.000 1.091 236 A CA 0.273 52.345 52.037 0.058 0.000 0.817 236 A CB 0.508 19.532 19.000 0.040 0.000 1.069 236 A HN 0.935 nan 8.150 nan 0.000 0.492 237 R N 1.328 121.843 120.500 0.026 0.000 2.215 237 R HA 0.496 4.836 4.340 -0.000 0.000 0.336 237 R C -1.459 174.852 176.300 0.019 0.000 0.996 237 R CA -0.287 55.834 56.100 0.034 0.000 0.847 237 R CB 0.394 30.701 30.300 0.012 0.000 1.127 237 R HN 0.441 nan 8.270 nan 0.000 0.465 238 V N 6.629 126.586 119.914 0.070 0.000 2.546 238 V HA 0.357 4.477 4.120 -0.000 0.000 0.284 238 V C 0.460 176.551 176.094 -0.004 0.000 1.050 238 V CA -0.473 61.823 62.300 -0.006 0.000 0.981 238 V CB 1.295 33.063 31.823 -0.092 0.000 0.990 238 V HN 0.712 nan 8.190 nan 0.000 0.474 239 I N 5.219 125.738 120.570 -0.085 0.000 2.509 239 I HA 0.538 4.708 4.170 -0.000 0.000 0.293 239 I C -0.639 175.415 176.117 -0.105 0.000 1.020 239 I CA -0.442 60.816 61.300 -0.070 0.000 1.088 239 I CB 2.087 40.040 38.000 -0.079 0.000 1.267 239 I HN 0.448 nan 8.210 nan 0.000 0.430 240 I N 4.174 124.689 120.570 -0.091 0.000 2.530 240 I HA 0.398 4.568 4.170 -0.000 0.000 0.297 240 I C -0.020 176.063 176.117 -0.057 0.000 1.011 240 I CA -0.461 60.785 61.300 -0.090 0.000 1.107 240 I CB 2.479 40.395 38.000 -0.141 0.000 1.285 240 I HN 0.553 nan 8.210 nan 0.000 0.436 241 T N 1.439 115.973 114.554 -0.033 0.000 2.856 241 T HA 0.671 5.021 4.350 -0.000 0.000 0.283 241 T C -0.585 174.116 174.700 0.001 0.000 1.008 241 T CA -0.664 61.423 62.100 -0.022 0.000 0.997 241 T CB 2.343 71.195 68.868 -0.028 0.000 0.992 241 T HN 0.473 nan 8.240 nan 0.000 0.454 242 E N 1.043 121.244 120.200 0.002 0.000 2.412 242 E HA 0.359 4.708 4.350 -0.000 0.000 0.279 242 E C 0.332 176.940 176.600 0.014 0.000 0.984 242 E CA -0.597 55.815 56.400 0.020 0.000 0.788 242 E CB 2.216 31.937 29.700 0.034 0.000 1.277 242 E HN 0.841 nan 8.360 nan 0.000 0.455 243 I N -2.611 117.971 120.570 0.020 0.000 4.139 243 I HA 0.353 4.523 4.170 -0.000 0.000 0.320 243 I C 0.629 176.757 176.117 0.017 0.000 1.290 243 I CA -0.090 61.219 61.300 0.015 0.000 1.253 243 I CB 0.634 38.643 38.000 0.015 0.000 1.122 243 I HN 0.085 nan 8.210 nan 0.000 0.421 244 D N 3.818 124.234 120.400 0.026 0.000 2.313 244 D HA 0.214 4.854 4.640 -0.000 0.000 0.239 244 D C -1.535 174.781 176.300 0.026 0.000 1.142 244 D CA -2.326 51.690 54.000 0.027 0.000 0.847 244 D CB 1.814 42.635 40.800 0.035 0.000 1.082 244 D HN 0.033 nan 8.370 nan 0.000 0.480 245 P HA -0.087 nan 4.420 nan 0.000 0.222 245 P C 1.697 179.007 177.300 0.016 0.000 1.147 245 P CA 0.668 63.775 63.100 0.011 0.000 0.790 245 P CB 0.568 32.271 31.700 0.006 0.000 0.780 246 I N -0.202 120.382 120.570 0.025 0.000 2.333 246 I HA -0.139 4.031 4.170 -0.000 0.000 0.246 246 I C 2.316 178.467 176.117 0.056 0.000 1.106 246 I CA 0.940 62.259 61.300 0.031 0.000 1.411 246 I CB -0.615 37.401 38.000 0.028 0.000 1.082 246 I HN -0.060 nan 8.210 nan 0.000 0.420 247 N N 1.304 120.053 118.700 0.081 0.000 2.188 247 N HA -0.108 4.632 4.740 -0.000 0.000 0.184 247 N C 1.939 177.522 175.510 0.122 0.000 1.018 247 N CA 1.510 54.660 53.050 0.167 0.000 0.858 247 N CB -0.094 38.498 38.487 0.176 0.000 0.989 247 N HN 0.310 nan 8.380 nan 0.000 0.426 248 A N 1.205 124.047 122.820 0.036 0.000 1.969 248 A HA -0.076 4.244 4.320 -0.000 0.000 0.218 248 A C 2.235 179.780 177.584 -0.064 0.000 1.169 248 A CA 0.775 52.789 52.037 -0.039 0.000 0.635 248 A CB -0.505 18.483 19.000 -0.019 0.000 0.810 248 A HN 0.188 nan 8.150 nan 0.000 0.445 249 L N -0.356 120.853 121.223 -0.023 0.000 2.027 249 L HA -0.158 4.182 4.340 -0.000 0.000 0.206 249 L C 2.467 179.319 176.870 -0.031 0.000 1.074 249 L CA 2.240 57.066 54.840 -0.024 0.000 0.745 249 L CB -0.775 41.282 42.059 -0.004 0.000 0.898 249 L HN 0.495 nan 8.230 nan 0.000 0.433 250 Q N -0.732 119.075 119.800 0.011 0.000 2.062 250 Q HA -0.305 4.035 4.340 -0.000 0.000 0.209 250 Q C 2.216 178.185 176.000 -0.052 0.000 0.996 250 Q CA 2.332 58.173 55.803 0.063 0.000 0.859 250 Q CB -0.447 28.432 28.738 0.234 0.000 0.920 250 Q HN 0.712 nan 8.270 nan 0.000 0.415 251 A N 0.874 123.477 122.820 -0.360 0.000 1.859 251 A HA -0.239 4.081 4.320 -0.000 0.000 0.217 251 A C 2.306 179.777 177.584 -0.187 0.000 1.198 251 A CA 2.060 53.739 52.037 -0.597 0.000 0.629 251 A CB -1.248 17.255 19.000 -0.830 0.000 0.830 251 A HN 0.498 nan 8.150 nan 0.000 0.446 252 A N -1.294 121.440 122.820 -0.145 0.000 2.032 252 A HA -0.164 4.156 4.320 -0.000 0.000 0.221 252 A C 1.987 179.513 177.584 -0.096 0.000 1.165 252 A CA 2.030 54.010 52.037 -0.094 0.000 0.645 252 A CB -0.500 18.459 19.000 -0.069 0.000 0.807 252 A HN 0.476 nan 8.150 nan 0.000 0.453 253 M N -0.745 118.805 119.600 -0.083 0.000 2.618 253 M HA 0.081 4.561 4.480 -0.000 0.000 0.240 253 M C 0.650 176.895 176.300 -0.092 0.000 1.123 253 M CA 0.737 55.996 55.300 -0.067 0.000 1.060 253 M CB -0.465 32.117 32.600 -0.031 0.000 1.535 253 M HN 0.228 nan 8.290 nan 0.000 0.507 254 E N -0.360 119.747 120.200 -0.155 0.000 2.538 254 E HA 0.322 4.672 4.350 -0.000 0.000 0.207 254 E C 1.354 177.677 176.600 -0.462 0.000 1.002 254 E CA 0.284 56.533 56.400 -0.252 0.000 0.952 254 E CB 0.500 30.074 29.700 -0.210 0.000 1.031 254 E HN 0.541 nan 8.360 nan 0.000 0.476 255 G N 0.561 109.156 108.800 -0.343 0.000 2.213 255 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.236 255 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.236 255 G C 0.090 174.817 174.900 -0.288 0.000 0.991 255 G CA 0.050 44.963 45.100 -0.312 0.000 0.629 255 G HN 0.182 nan 8.290 nan 0.000 0.517 256 Y N 1.126 121.372 120.300 -0.090 0.000 2.330 256 Y HA 0.534 5.083 4.550 -0.000 0.000 0.341 256 Y C 0.941 176.779 175.900 -0.103 0.000 1.278 256 Y CA -0.422 57.619 58.100 -0.099 0.000 1.453 256 Y CB 0.506 38.881 38.460 -0.142 0.000 1.342 256 Y HN 0.249 nan 8.280 nan 0.000 0.590 257 E N 0.974 121.232 120.200 0.096 0.000 2.151 257 E HA 0.517 4.867 4.350 -0.000 0.000 0.275 257 E C -1.787 174.808 176.600 -0.007 0.000 0.936 257 E CA -0.558 55.852 56.400 0.017 0.000 0.777 257 E CB 1.044 30.747 29.700 0.005 0.000 1.108 257 E HN 0.437 nan 8.360 nan 0.000 0.401 258 V N 4.083 123.980 119.914 -0.028 0.000 2.435 258 V HA 0.493 4.613 4.120 -0.000 0.000 0.290 258 V C 0.242 176.317 176.094 -0.032 0.000 1.030 258 V CA -0.329 61.946 62.300 -0.042 0.000 0.881 258 V CB 1.419 33.207 31.823 -0.058 0.000 0.983 258 V HN 0.851 nan 8.190 nan 0.000 0.445 259 T N 2.213 116.748 114.554 -0.032 0.000 2.665 259 T HA 0.491 4.841 4.350 -0.000 0.000 0.303 259 T C -0.356 174.328 174.700 -0.027 0.000 1.334 259 T CA 0.124 62.209 62.100 -0.025 0.000 1.011 259 T CB 1.887 70.742 68.868 -0.022 0.000 1.573 259 T HN 0.862 nan 8.240 nan 0.000 0.492 260 T N 0.821 115.361 114.554 -0.022 0.000 2.899 260 T HA 0.383 4.733 4.350 -0.000 0.000 0.284 260 T C 1.423 176.094 174.700 -0.049 0.000 1.004 260 T CA -0.518 61.566 62.100 -0.027 0.000 1.043 260 T CB 0.840 69.701 68.868 -0.012 0.000 1.013 260 T HN 0.570 nan 8.240 nan 0.000 0.518 261 M N 1.216 120.763 119.600 -0.089 0.000 2.108 261 M HA -0.063 4.416 4.480 -0.000 0.000 0.261 261 M C 1.183 177.355 176.300 -0.214 0.000 1.066 261 M CA 1.724 56.904 55.300 -0.201 0.000 1.107 261 M CB -1.292 31.076 32.600 -0.386 0.000 1.356 261 M HN 0.766 nan 8.290 nan 0.000 0.406 262 D N 0.188 120.538 120.400 -0.083 0.000 2.137 262 D HA -0.204 4.435 4.640 -0.000 0.000 0.189 262 D C 1.958 178.271 176.300 0.021 0.000 0.998 262 D CA 1.876 55.902 54.000 0.044 0.000 0.839 262 D CB -0.478 40.365 40.800 0.072 0.000 0.962 262 D HN 0.427 nan 8.370 nan 0.000 0.446 263 E N 0.335 120.539 120.200 0.008 0.000 2.077 263 E HA -0.134 4.216 4.350 -0.000 0.000 0.193 263 E C 2.146 178.754 176.600 0.013 0.000 0.989 263 E CA 1.055 57.462 56.400 0.011 0.000 0.800 263 E CB -0.403 29.299 29.700 0.003 0.000 0.746 263 E HN 0.277 nan 8.360 nan 0.000 0.452 264 A N 1.624 124.443 122.820 -0.002 0.000 1.902 264 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 264 A C 2.652 180.291 177.584 0.092 0.000 1.181 264 A CA 1.713 53.757 52.037 0.011 0.000 0.623 264 A CB -1.210 17.781 19.000 -0.015 0.000 0.818 264 A HN 0.542 nan 8.150 nan 0.000 0.443 265 C N -0.417 118.946 119.300 0.106 0.000 2.400 265 C HA -0.076 4.384 4.460 -0.000 0.000 0.291 265 C C 2.244 177.368 174.990 0.223 0.000 1.372 265 C CA 1.055 60.199 59.018 0.210 0.000 1.800 265 C CB -1.472 26.242 27.740 -0.043 0.000 1.869 265 C HN 0.596 nan 8.230 nan 0.000 0.533 266 K N 0.756 121.235 120.400 0.131 0.000 2.116 266 K HA 0.003 4.322 4.320 -0.000 0.000 0.203 266 K C 2.234 178.898 176.600 0.106 0.000 1.052 266 K CA 1.174 57.529 56.287 0.113 0.000 0.952 266 K CB -0.179 32.364 32.500 0.072 0.000 0.729 266 K HN 0.566 nan 8.250 nan 0.000 0.446 267 E N 1.076 121.319 120.200 0.072 0.000 2.086 267 E HA -0.016 4.334 4.350 -0.000 0.000 0.190 267 E C 1.058 177.644 176.600 -0.024 0.000 0.975 267 E CA 0.224 56.636 56.400 0.020 0.000 0.813 267 E CB -0.074 29.618 29.700 -0.014 0.000 0.768 267 E HN 0.262 nan 8.360 nan 0.000 0.457 268 G N 1.212 109.956 108.800 -0.094 0.000 2.568 268 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.231 268 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.231 268 G C 0.487 175.277 174.900 -0.184 0.000 1.261 268 G CA -0.175 44.675 45.100 -0.417 0.000 0.855 268 G HN 0.153 nan 8.290 nan 0.000 0.576 269 N N -0.297 118.254 118.700 -0.248 0.000 2.445 269 N HA 0.147 4.887 4.740 -0.000 0.000 0.204 269 N C 0.405 175.896 175.510 -0.031 0.000 1.098 269 N CA 0.310 53.327 53.050 -0.055 0.000 0.859 269 N CB 0.791 39.244 38.487 -0.056 0.000 1.249 269 N HN 0.421 nan 8.380 nan 0.000 0.462 270 I N 0.470 120.918 120.570 -0.204 0.000 2.647 270 I HA 0.371 4.541 4.170 -0.000 0.000 0.295 270 I C -1.475 174.473 176.117 -0.282 0.000 1.078 270 I CA -0.660 60.588 61.300 -0.087 0.000 1.048 270 I CB 2.148 40.100 38.000 -0.079 0.000 1.239 270 I HN -0.249 nan 8.210 nan 0.000 0.421 271 F N 4.558 124.507 119.950 -0.003 0.000 2.553 271 F HA 0.465 4.992 4.527 -0.000 0.000 0.335 271 F C -0.344 175.448 175.800 -0.013 0.000 1.148 271 F CA -0.740 57.249 58.000 -0.019 0.000 0.963 271 F CB 1.903 40.888 39.000 -0.025 0.000 1.217 271 F HN -0.056 nan 8.300 nan 0.000 0.441 272 V N 2.136 122.114 119.914 0.106 0.000 2.417 272 V HA 0.513 4.632 4.120 -0.000 0.000 0.291 272 V C -0.153 175.976 176.094 0.057 0.000 1.024 272 V CA -0.826 61.514 62.300 0.067 0.000 0.861 272 V CB 1.941 33.774 31.823 0.017 0.000 0.985 272 V HN 0.761 nan 8.190 nan 0.000 0.436 273 T N -0.010 114.579 114.554 0.058 0.000 2.743 273 T HA 0.375 4.725 4.350 -0.000 0.000 0.292 273 T C 0.493 175.212 174.700 0.031 0.000 0.972 273 T CA -0.081 62.044 62.100 0.043 0.000 0.967 273 T CB 1.093 69.989 68.868 0.046 0.000 0.926 273 T HN 0.803 nan 8.240 nan 0.000 0.459 274 T N 0.084 114.647 114.554 0.016 0.000 3.258 274 T HA 0.349 4.699 4.350 -0.000 0.000 0.263 274 T C 0.413 175.119 174.700 0.009 0.000 0.983 274 T CA -0.535 61.566 62.100 0.003 0.000 0.907 274 T CB -0.469 68.383 68.868 -0.025 0.000 1.096 274 T HN 0.694 nan 8.240 nan 0.000 0.556 275 T N -0.636 113.936 114.554 0.030 0.000 2.927 275 T HA 0.655 5.005 4.350 -0.000 0.000 0.286 275 T C 1.046 175.790 174.700 0.074 0.000 1.040 275 T CA -0.602 61.522 62.100 0.040 0.000 1.010 275 T CB 1.590 70.481 68.868 0.038 0.000 1.177 275 T HN 0.142 nan 8.240 nan 0.000 0.546 276 G N -0.813 108.035 108.800 0.080 0.000 3.605 276 G HA2 0.359 4.319 3.960 -0.000 0.000 0.277 276 G HA3 0.359 4.319 3.960 -0.000 0.000 0.277 276 G C 0.188 175.147 174.900 0.098 0.000 1.093 276 G CA -0.166 45.010 45.100 0.127 0.000 0.821 276 G HN 0.769 nan 8.290 nan 0.000 0.532 277 C N 0.511 119.854 119.300 0.072 0.000 2.345 277 C HA 0.803 5.263 4.460 -0.000 0.000 0.370 277 C C 0.622 175.643 174.990 0.053 0.000 1.209 277 C CA -0.471 58.576 59.018 0.049 0.000 2.133 277 C CB 1.198 28.957 27.740 0.032 0.000 2.293 277 C HN 0.399 nan 8.230 nan 0.000 0.544 278 V N 0.707 120.642 119.914 0.035 0.000 3.103 278 V HA 0.672 4.792 4.120 -0.000 0.000 0.318 278 V C -0.710 175.396 176.094 0.020 0.000 1.114 278 V CA -0.603 61.717 62.300 0.033 0.000 1.020 278 V CB 1.604 33.441 31.823 0.022 0.000 1.085 278 V HN 0.915 nan 8.190 nan 0.000 0.446 279 D N 0.590 120.999 120.400 0.016 0.000 2.705 279 D HA -0.160 4.480 4.640 -0.000 0.000 0.240 279 D C 0.664 176.967 176.300 0.004 0.000 1.137 279 D CA 0.799 54.799 54.000 -0.001 0.000 0.677 279 D CB -0.713 40.083 40.800 -0.008 0.000 1.049 279 D HN 0.526 nan 8.370 nan 0.000 0.427 280 I N -0.598 119.973 120.570 0.001 0.000 2.429 280 I HA 0.045 4.215 4.170 -0.000 0.000 0.247 280 I C 1.431 177.538 176.117 -0.017 0.000 1.099 280 I CA 0.833 62.130 61.300 -0.005 0.000 1.422 280 I CB 0.001 37.994 38.000 -0.012 0.000 1.112 280 I HN 0.122 nan 8.210 nan 0.000 0.430 281 I N 2.729 123.256 120.570 -0.072 0.000 2.411 281 I HA 0.255 4.425 4.170 -0.000 0.000 0.284 281 I C -0.771 175.152 176.117 -0.324 0.000 1.012 281 I CA -0.331 60.881 61.300 -0.146 0.000 1.119 281 I CB 1.650 39.388 38.000 -0.436 0.000 1.261 281 I HN -0.135 nan 8.210 nan 0.000 0.448 282 L N 3.871 124.882 121.223 -0.354 0.000 2.299 282 L HA 0.596 4.936 4.340 -0.000 0.000 0.268 282 L C 1.699 178.018 176.870 -0.919 0.000 1.012 282 L CA -0.347 54.131 54.840 -0.603 0.000 0.816 282 L CB 0.358 42.108 42.059 -0.515 0.000 1.355 282 L HN 0.597 nan 8.230 nan 0.000 0.457 283 G N 0.490 108.640 108.800 -1.082 0.000 2.505 283 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.220 283 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.220 283 G C 1.381 175.741 174.900 -0.899 0.000 1.145 283 G CA 1.195 45.245 45.100 -1.751 0.000 0.761 283 G HN 0.754 nan 8.290 nan 0.000 0.571 284 R N -0.556 119.552 120.500 -0.654 0.000 2.249 284 R HA 0.007 4.347 4.340 -0.000 0.000 0.230 284 R C 1.959 178.060 176.300 -0.332 0.000 1.121 284 R CA 1.651 57.505 56.100 -0.411 0.000 0.997 284 R CB -0.702 29.374 30.300 -0.373 0.000 0.867 284 R HN 0.582 nan 8.270 nan 0.000 0.465 285 H N -0.791 118.038 119.070 -0.401 0.000 2.388 285 H HA 0.120 4.676 4.556 -0.000 0.000 0.304 285 H C 1.309 176.430 175.328 -0.346 0.000 1.049 285 H CA 0.598 56.414 56.048 -0.387 0.000 1.371 285 H CB 0.023 29.455 29.762 -0.550 0.000 1.436 285 H HN 0.012 nan 8.280 nan 0.000 0.544 286 F N 2.011 121.791 119.950 -0.283 0.000 2.120 286 F HA -0.181 4.346 4.527 -0.000 0.000 0.300 286 F C 1.964 177.693 175.800 -0.118 0.000 1.095 286 F CA 1.362 59.208 58.000 -0.256 0.000 1.249 286 F CB -0.413 38.356 39.000 -0.385 0.000 0.995 286 F HN 0.240 nan 8.300 nan 0.000 0.480 287 E N -0.524 119.706 120.200 0.050 0.000 2.516 287 E HA -0.134 4.216 4.350 -0.000 0.000 0.199 287 E C 1.655 178.287 176.600 0.053 0.000 1.069 287 E CA 0.247 56.692 56.400 0.075 0.000 0.876 287 E CB -0.108 29.630 29.700 0.063 0.000 0.843 287 E HN 0.495 nan 8.360 nan 0.000 0.530 288 Q N -0.536 119.303 119.800 0.065 0.000 2.431 288 Q HA 0.177 4.517 4.340 -0.000 0.000 0.244 288 Q C 0.830 176.924 176.000 0.156 0.000 0.880 288 Q CA 0.118 55.973 55.803 0.087 0.000 0.954 288 Q CB 0.447 29.222 28.738 0.063 0.000 1.105 288 Q HN 0.311 nan 8.270 nan 0.000 0.558 289 M N 1.969 121.661 119.600 0.154 0.000 2.235 289 M HA -0.063 4.417 4.480 -0.000 0.000 0.336 289 M C 0.404 176.867 176.300 0.271 0.000 1.146 289 M CA 0.928 56.349 55.300 0.203 0.000 1.018 289 M CB 0.146 32.833 32.600 0.145 0.000 1.694 289 M HN -0.173 nan 8.290 nan 0.000 0.451 290 K N 1.405 121.918 120.400 0.189 0.000 2.276 290 K HA 0.011 4.331 4.320 -0.000 0.000 0.259 290 K C -0.302 176.243 176.600 -0.091 0.000 1.001 290 K CA -0.382 55.924 56.287 0.032 0.000 0.927 290 K CB 0.263 32.781 32.500 0.029 0.000 0.969 290 K HN 0.506 nan 8.250 nan 0.000 0.490 291 D N 1.533 121.667 120.400 -0.442 0.000 2.488 291 D HA -0.099 4.541 4.640 -0.000 0.000 0.238 291 D C -0.188 176.071 176.300 -0.068 0.000 1.138 291 D CA 0.898 54.707 54.000 -0.317 0.000 0.873 291 D CB 0.259 40.835 40.800 -0.372 0.000 1.183 291 D HN 0.487 nan 8.370 nan 0.000 0.458 292 D N 1.042 121.453 120.400 0.017 0.000 2.907 292 D HA -0.178 4.462 4.640 -0.000 0.000 0.226 292 D C -0.628 175.722 176.300 0.083 0.000 1.141 292 D CA 0.927 54.956 54.000 0.049 0.000 0.779 292 D CB -1.251 39.562 40.800 0.022 0.000 1.095 292 D HN 0.553 nan 8.370 nan 0.000 0.430 293 A N 0.210 123.107 122.820 0.128 0.000 2.445 293 A HA 0.464 4.784 4.320 -0.000 0.000 0.242 293 A C 0.732 178.439 177.584 0.203 0.000 1.075 293 A CA 0.135 52.295 52.037 0.204 0.000 0.777 293 A CB 0.473 19.653 19.000 0.299 0.000 1.013 293 A HN 0.319 nan 8.150 nan 0.000 0.493 294 I N 2.705 123.408 120.570 0.222 0.000 2.330 294 I HA 0.290 4.460 4.170 -0.000 0.000 0.289 294 I C -0.633 175.636 176.117 0.254 0.000 1.001 294 I CA -0.418 60.993 61.300 0.184 0.000 1.193 294 I CB 1.491 39.558 38.000 0.112 0.000 1.345 294 I HN 0.277 nan 8.210 nan 0.000 0.461 295 V N 6.140 126.187 119.914 0.220 0.000 2.483 295 V HA 0.585 4.705 4.120 -0.000 0.000 0.295 295 V C -0.131 176.062 176.094 0.165 0.000 1.035 295 V CA -0.437 61.992 62.300 0.216 0.000 0.896 295 V CB 1.597 33.535 31.823 0.191 0.000 0.986 295 V HN 0.992 nan 8.190 nan 0.000 0.447 296 C N 3.038 122.427 119.300 0.148 0.000 3.307 296 C HA 0.825 5.285 4.460 -0.000 0.000 0.333 296 C C -1.142 173.906 174.990 0.097 0.000 1.291 296 C CA -0.960 58.124 59.018 0.110 0.000 1.273 296 C CB 1.165 28.958 27.740 0.087 0.000 1.580 296 C HN 0.931 nan 8.230 nan 0.000 0.481 297 N N 0.588 119.338 118.700 0.083 0.000 2.295 297 N HA 0.628 5.367 4.740 -0.000 0.000 0.293 297 N C -0.646 174.898 175.510 0.058 0.000 1.040 297 N CA -0.697 52.396 53.050 0.072 0.000 0.840 297 N CB 1.809 40.345 38.487 0.081 0.000 1.468 297 N HN 0.962 nan 8.380 nan 0.000 0.478 298 I N 2.204 122.801 120.570 0.044 0.000 4.081 298 I HA 0.437 4.607 4.170 -0.000 0.000 0.333 298 I C 1.169 177.299 176.117 0.020 0.000 1.413 298 I CA -0.354 60.965 61.300 0.032 0.000 1.110 298 I CB -0.210 37.806 38.000 0.026 0.000 1.082 298 I HN 0.720 nan 8.210 nan 0.000 0.402 299 G N 0.310 109.131 108.800 0.035 0.000 2.345 299 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.161 299 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.161 299 G C 0.920 175.843 174.900 0.038 0.000 1.656 299 G CA 1.089 46.212 45.100 0.039 0.000 0.940 299 G HN 0.581 nan 8.290 nan 0.000 0.374 300 H N -2.789 116.219 119.070 -0.104 0.000 3.771 300 H HA 0.374 4.929 4.556 -0.000 0.000 0.260 300 H C -0.641 174.244 175.328 -0.740 0.000 1.158 300 H CA -0.467 55.352 56.048 -0.382 0.000 1.170 300 H CB 0.881 30.386 29.762 -0.429 0.000 1.539 300 H HN 0.201 nan 8.280 nan 0.000 0.634 301 F N 0.584 120.602 119.950 0.113 0.000 2.645 301 F HA 0.124 4.651 4.527 -0.000 0.000 0.310 301 F C 0.009 175.843 175.800 0.057 0.000 1.102 301 F CA -1.171 56.851 58.000 0.038 0.000 0.952 301 F CB 1.178 40.164 39.000 -0.023 0.000 1.326 301 F HN 0.010 nan 8.300 nan 0.000 0.456 302 D N -0.135 120.423 120.400 0.263 0.000 2.368 302 D HA -0.051 4.589 4.640 -0.000 0.000 0.250 302 D C 1.258 177.650 176.300 0.153 0.000 1.142 302 D CA 0.539 54.643 54.000 0.174 0.000 0.925 302 D CB -0.798 40.093 40.800 0.150 0.000 0.896 302 D HN 0.316 nan 8.370 nan 0.000 0.525 303 V N -3.690 116.331 119.914 0.179 0.000 3.623 303 V HA 0.143 4.263 4.120 -0.000 0.000 0.271 303 V C 1.439 177.593 176.094 0.100 0.000 1.248 303 V CA 0.320 62.693 62.300 0.121 0.000 1.156 303 V CB -0.411 31.474 31.823 0.105 0.000 0.870 303 V HN 0.018 nan 8.190 nan 0.000 0.453 304 E N 0.748 121.011 120.200 0.106 0.000 2.364 304 E HA 0.347 4.697 4.350 -0.000 0.000 0.196 304 E C 0.246 176.876 176.600 0.048 0.000 0.990 304 E CA 0.251 56.694 56.400 0.073 0.000 0.886 304 E CB 0.617 30.362 29.700 0.075 0.000 0.866 304 E HN 0.613 nan 8.360 nan 0.000 0.493 305 I N 1.559 122.172 120.570 0.072 0.000 2.441 305 I HA 0.098 4.268 4.170 -0.000 0.000 0.295 305 I C -0.167 176.023 176.117 0.121 0.000 0.994 305 I CA -0.776 60.571 61.300 0.078 0.000 1.144 305 I CB 1.667 39.743 38.000 0.127 0.000 1.314 305 I HN -0.223 nan 8.210 nan 0.000 0.445 306 D N 5.955 126.439 120.400 0.139 0.000 2.551 306 D HA 0.087 4.727 4.640 -0.000 0.000 0.223 306 D C 0.946 177.424 176.300 0.297 0.000 1.144 306 D CA 0.110 54.229 54.000 0.198 0.000 1.025 306 D CB 0.748 41.646 40.800 0.163 0.000 1.085 306 D HN 0.259 nan 8.370 nan 0.000 0.506 307 V N 3.582 123.606 119.914 0.183 0.000 2.255 307 V HA -0.332 3.788 4.120 -0.000 0.000 0.247 307 V C 2.115 178.244 176.094 0.057 0.000 1.051 307 V CA 1.881 64.236 62.300 0.092 0.000 1.018 307 V CB -0.257 31.622 31.823 0.093 0.000 0.641 307 V HN 0.433 nan 8.190 nan 0.000 0.445 308 K N -0.542 119.918 120.400 0.100 0.000 2.052 308 K HA -0.309 4.011 4.320 -0.000 0.000 0.215 308 K C 1.714 178.360 176.600 0.078 0.000 1.053 308 K CA 2.333 58.667 56.287 0.079 0.000 0.934 308 K CB -1.015 31.538 32.500 0.088 0.000 0.717 308 K HN 0.618 nan 8.250 nan 0.000 0.450 309 W N 1.556 122.842 121.300 -0.023 0.000 2.304 309 W HA -0.226 4.434 4.660 -0.000 0.000 0.315 309 W C 1.593 178.027 176.519 -0.141 0.000 1.233 309 W CA 1.668 58.993 57.345 -0.033 0.000 1.261 309 W CB -0.262 29.233 29.460 0.058 0.000 1.150 309 W HN 0.021 nan 8.180 nan 0.000 0.494 310 L N 0.603 121.859 121.223 0.054 0.000 1.955 310 L HA -0.346 3.994 4.340 -0.000 0.000 0.213 310 L C 2.275 178.933 176.870 -0.353 0.000 1.072 310 L CA 1.980 56.582 54.840 -0.397 0.000 0.755 310 L CB -1.260 40.196 42.059 -1.006 0.000 0.888 310 L HN 0.030 nan 8.230 nan 0.000 0.432 311 N N -0.278 118.313 118.700 -0.182 0.000 2.417 311 N HA -0.206 4.533 4.740 -0.000 0.000 0.187 311 N C 1.583 177.042 175.510 -0.085 0.000 1.027 311 N CA 1.170 54.233 53.050 0.021 0.000 0.891 311 N CB -0.096 38.431 38.487 0.068 0.000 0.956 311 N HN 0.494 nan 8.380 nan 0.000 0.442 312 E N 0.106 120.175 120.200 -0.218 0.000 2.094 312 E HA 0.185 4.535 4.350 -0.000 0.000 0.193 312 E C 0.742 177.099 176.600 -0.404 0.000 0.950 312 E CA 0.167 56.403 56.400 -0.274 0.000 0.842 312 E CB 0.150 29.680 29.700 -0.285 0.000 0.816 312 E HN 0.312 nan 8.360 nan 0.000 0.465 313 N N 0.608 118.850 118.700 -0.764 0.000 2.362 313 N HA 0.121 4.861 4.740 -0.000 0.000 0.204 313 N C -0.606 174.578 175.510 -0.544 0.000 1.166 313 N CA -0.222 52.338 53.050 -0.816 0.000 0.831 313 N CB 0.881 38.453 38.487 -1.526 0.000 1.008 313 N HN -0.018 nan 8.380 nan 0.000 0.472 314 A N 0.300 122.913 122.820 -0.345 0.000 2.301 314 A HA 0.372 4.692 4.320 -0.000 0.000 0.312 314 A C 1.352 178.897 177.584 -0.064 0.000 1.182 314 A CA -0.566 51.393 52.037 -0.129 0.000 0.826 314 A CB 1.100 20.126 19.000 0.043 0.000 1.134 314 A HN -0.065 nan 8.150 nan 0.000 0.501 315 V N 1.819 121.716 119.914 -0.030 0.000 2.221 315 V HA -0.103 4.017 4.120 -0.000 0.000 0.240 315 V C 1.014 177.100 176.094 -0.014 0.000 1.041 315 V CA 2.318 64.604 62.300 -0.024 0.000 0.991 315 V CB -0.718 31.100 31.823 -0.009 0.000 0.634 315 V HN 0.974 nan 8.190 nan 0.000 0.450 316 E N 0.234 120.432 120.200 -0.003 0.000 2.256 316 E HA 0.546 4.896 4.350 -0.000 0.000 0.267 316 E C -0.730 175.841 176.600 -0.050 0.000 0.892 316 E CA -0.893 55.492 56.400 -0.024 0.000 0.775 316 E CB 2.155 31.839 29.700 -0.028 0.000 1.207 316 E HN 0.250 nan 8.360 nan 0.000 0.420 317 K N 2.414 122.745 120.400 -0.116 0.000 2.507 317 K HA 0.291 4.611 4.320 -0.000 0.000 0.253 317 K C -0.961 175.494 176.600 -0.241 0.000 0.969 317 K CA -0.760 55.347 56.287 -0.299 0.000 0.908 317 K CB 1.494 33.755 32.500 -0.397 0.000 1.127 317 K HN 0.552 nan 8.250 nan 0.000 0.437 318 V N 1.567 121.349 119.914 -0.219 0.000 2.472 318 V HA 0.413 4.533 4.120 -0.000 0.000 0.290 318 V C -0.287 175.711 176.094 -0.160 0.000 1.037 318 V CA -0.847 61.367 62.300 -0.144 0.000 0.908 318 V CB 1.486 33.256 31.823 -0.089 0.000 0.985 318 V HN 0.837 nan 8.190 nan 0.000 0.454 319 N N 3.628 122.258 118.700 -0.118 0.000 2.645 319 N HA 0.204 4.943 4.740 -0.000 0.000 0.233 319 N C 0.656 176.129 175.510 -0.062 0.000 1.058 319 N CA -0.386 52.605 53.050 -0.098 0.000 0.942 319 N CB 1.153 39.593 38.487 -0.079 0.000 1.210 319 N HN 0.761 nan 8.380 nan 0.000 0.512 320 I N 3.375 123.912 120.570 -0.054 0.000 2.194 320 I HA -0.257 3.913 4.170 -0.000 0.000 0.246 320 I C 0.955 177.058 176.117 -0.025 0.000 1.093 320 I CA 1.648 62.928 61.300 -0.033 0.000 1.355 320 I CB -0.269 37.717 38.000 -0.023 0.000 1.046 320 I HN 0.704 nan 8.210 nan 0.000 0.413 321 K N -2.763 117.621 120.400 -0.026 0.000 2.886 321 K HA 0.359 4.678 4.320 -0.000 0.000 0.291 321 K C -2.971 173.616 176.600 -0.022 0.000 1.057 321 K CA -1.444 54.832 56.287 -0.019 0.000 0.797 321 K CB 0.131 32.625 32.500 -0.010 0.000 1.490 321 K HN -0.454 nan 8.250 nan 0.000 0.365 322 P HA 0.046 nan 4.420 nan 0.000 0.262 322 P C -0.879 176.400 177.300 -0.034 0.000 1.199 322 P CA 0.736 63.820 63.100 -0.027 0.000 0.763 322 P CB 0.555 32.246 31.700 -0.016 0.000 0.790 323 Q N 0.463 120.234 119.800 -0.050 0.000 2.489 323 Q HA -0.133 4.207 4.340 -0.000 0.000 0.259 323 Q C -0.940 175.052 176.000 -0.013 0.000 0.934 323 Q CA 0.921 56.697 55.803 -0.045 0.000 1.131 323 Q CB -1.812 26.894 28.738 -0.054 0.000 1.472 323 Q HN 0.285 nan 8.270 nan 0.000 0.560 324 V N 1.247 121.153 119.914 -0.013 0.000 2.501 324 V HA 0.377 4.497 4.120 -0.000 0.000 0.277 324 V C -0.526 175.556 176.094 -0.020 0.000 1.004 324 V CA -0.682 61.617 62.300 -0.001 0.000 0.862 324 V CB 1.837 33.659 31.823 -0.001 0.000 1.035 324 V HN 0.202 nan 8.190 nan 0.000 0.448 325 D N 2.623 123.012 120.400 -0.018 0.000 2.299 325 D HA 0.701 5.341 4.640 -0.000 0.000 0.243 325 D C -0.097 176.152 176.300 -0.086 0.000 0.982 325 D CA -0.754 53.182 54.000 -0.106 0.000 0.924 325 D CB 1.733 42.413 40.800 -0.200 0.000 1.238 325 D HN 0.406 nan 8.370 nan 0.000 0.484 326 R N 1.688 122.084 120.500 -0.174 0.000 2.472 326 R HA 0.243 4.583 4.340 -0.000 0.000 0.294 326 R C -1.263 174.968 176.300 -0.114 0.000 1.243 326 R CA -0.606 55.455 56.100 -0.064 0.000 1.023 326 R CB 0.132 30.417 30.300 -0.025 0.000 1.157 326 R HN 0.411 nan 8.270 nan 0.000 0.530 327 Y N 2.516 122.802 120.300 -0.025 0.000 2.326 327 Y HA 0.193 4.743 4.550 -0.000 0.000 0.333 327 Y C 0.251 176.142 175.900 -0.015 0.000 1.240 327 Y CA -0.511 57.565 58.100 -0.039 0.000 1.365 327 Y CB 0.705 39.115 38.460 -0.083 0.000 1.289 327 Y HN 0.361 nan 8.280 nan 0.000 0.548 328 L N 4.188 125.489 121.223 0.130 0.000 2.305 328 L HA 0.479 4.819 4.340 -0.000 0.000 0.284 328 L C -1.088 175.833 176.870 0.084 0.000 1.013 328 L CA -0.782 54.112 54.840 0.090 0.000 0.819 328 L CB 0.348 42.435 42.059 0.047 0.000 1.227 328 L HN 0.545 nan 8.230 nan 0.000 0.417 329 L N 4.465 125.747 121.223 0.098 0.000 2.421 329 L HA 0.355 4.695 4.340 -0.000 0.000 0.263 329 L C 1.147 178.046 176.870 0.048 0.000 1.122 329 L CA -0.584 54.307 54.840 0.085 0.000 0.804 329 L CB 0.577 42.711 42.059 0.126 0.000 1.150 329 L HN 0.620 nan 8.230 nan 0.000 0.457 330 K N 1.219 121.638 120.400 0.032 0.000 2.589 330 K HA -0.062 4.258 4.320 -0.000 0.000 0.192 330 K C 0.714 177.317 176.600 0.006 0.000 1.029 330 K CA 0.348 56.641 56.287 0.011 0.000 1.031 330 K CB -0.196 32.305 32.500 0.001 0.000 0.821 330 K HN 0.529 nan 8.250 nan 0.000 0.502 331 N N -1.165 117.532 118.700 -0.005 0.000 2.177 331 N HA 0.049 4.788 4.740 -0.000 0.000 0.218 331 N C 0.934 176.402 175.510 -0.071 0.000 1.182 331 N CA 0.626 53.637 53.050 -0.064 0.000 0.882 331 N CB 1.071 39.474 38.487 -0.139 0.000 1.052 331 N HN 0.150 nan 8.380 nan 0.000 0.519 332 G N 0.100 108.912 108.800 0.020 0.000 2.258 332 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.233 332 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.233 332 G C -0.208 174.831 174.900 0.231 0.000 1.006 332 G CA 0.008 45.169 45.100 0.102 0.000 0.620 332 G HN 0.615 nan 8.290 nan 0.000 0.511 333 H N 0.663 119.771 119.070 0.062 0.000 2.551 333 H HA 0.613 5.169 4.556 -0.000 0.000 0.358 333 H C 0.558 175.930 175.328 0.074 0.000 1.151 333 H CA -0.526 55.564 56.048 0.070 0.000 1.374 333 H CB 0.717 30.529 29.762 0.082 0.000 1.473 333 H HN 0.134 nan 8.280 nan 0.000 0.574 334 R N 1.212 121.822 120.500 0.184 0.000 2.720 334 R HA 0.423 4.763 4.340 -0.000 0.000 0.272 334 R C -0.764 175.621 176.300 0.142 0.000 0.991 334 R CA -0.669 55.511 56.100 0.134 0.000 1.010 334 R CB 0.999 31.350 30.300 0.085 0.000 1.141 334 R HN 0.486 nan 8.270 nan 0.000 0.494 335 I N 3.200 123.859 120.570 0.147 0.000 2.503 335 I HA 0.256 4.426 4.170 -0.000 0.000 0.282 335 I C -0.718 175.505 176.117 0.177 0.000 1.059 335 I CA -0.708 60.685 61.300 0.155 0.000 1.081 335 I CB 1.347 39.410 38.000 0.103 0.000 1.210 335 I HN 0.488 nan 8.210 nan 0.000 0.450 336 I N 6.577 127.234 120.570 0.145 0.000 2.363 336 I HA 0.143 4.313 4.170 -0.000 0.000 0.292 336 I C 0.006 176.216 176.117 0.156 0.000 1.075 336 I CA 0.163 61.539 61.300 0.127 0.000 1.333 336 I CB 0.508 38.561 38.000 0.089 0.000 1.415 336 I HN 0.273 nan 8.210 nan 0.000 0.502 337 L N 8.272 129.608 121.223 0.188 0.000 2.287 337 L HA 0.549 4.889 4.340 -0.000 0.000 0.287 337 L C -0.695 176.260 176.870 0.140 0.000 1.022 337 L CA -0.416 54.542 54.840 0.196 0.000 0.814 337 L CB 0.992 43.234 42.059 0.306 0.000 1.217 337 L HN 0.466 nan 8.230 nan 0.000 0.420 338 L N 4.941 126.231 121.223 0.113 0.000 2.375 338 L HA 0.532 4.872 4.340 -0.000 0.000 0.268 338 L C 1.514 178.425 176.870 0.067 0.000 1.058 338 L CA -0.438 54.447 54.840 0.075 0.000 0.803 338 L CB 0.962 43.058 42.059 0.061 0.000 1.212 338 L HN 0.807 nan 8.230 nan 0.000 0.451 339 A N 1.035 123.876 122.820 0.035 0.000 2.739 339 A HA -0.303 4.017 4.320 -0.000 0.000 0.295 339 A C 0.992 178.594 177.584 0.029 0.000 1.477 339 A CA 1.488 53.533 52.037 0.013 0.000 0.931 339 A CB -1.912 17.101 19.000 0.022 0.000 0.959 339 A HN 1.045 nan 8.150 nan 0.000 0.555 340 E N -4.446 115.789 120.200 0.057 0.000 2.722 340 E HA -0.168 4.182 4.350 -0.000 0.000 0.265 340 E C 1.560 178.222 176.600 0.104 0.000 1.081 340 E CA 2.177 58.630 56.400 0.088 0.000 0.781 340 E CB -1.514 28.218 29.700 0.055 0.000 1.372 340 E HN 2.522 nan 8.360 nan 0.000 0.423 341 G N -1.446 107.417 108.800 0.105 0.000 2.234 341 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.235 341 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.235 341 G C 0.536 175.499 174.900 0.106 0.000 0.997 341 G CA 0.292 45.459 45.100 0.112 0.000 0.623 341 G HN 0.364 nan 8.290 nan 0.000 0.514 342 R N -0.646 119.911 120.500 0.095 0.000 2.668 342 R HA 0.550 4.890 4.340 -0.000 0.000 0.268 342 R C 0.354 176.698 176.300 0.073 0.000 1.232 342 R CA -0.853 55.305 56.100 0.096 0.000 1.166 342 R CB 0.017 30.379 30.300 0.103 0.000 1.179 342 R HN 0.090 nan 8.270 nan 0.000 0.606 343 L N 1.525 122.786 121.223 0.063 0.000 2.654 343 L HA -0.094 4.245 4.340 -0.000 0.000 0.271 343 L C 1.344 178.235 176.870 0.036 0.000 1.169 343 L CA 0.783 55.648 54.840 0.042 0.000 0.947 343 L CB 0.546 42.620 42.059 0.023 0.000 1.232 343 L HN 0.498 nan 8.230 nan 0.000 0.486 344 V N 5.022 124.960 119.914 0.040 0.000 2.407 344 V HA -0.224 3.896 4.120 -0.000 0.000 0.248 344 V C 2.128 178.241 176.094 0.032 0.000 1.055 344 V CA 2.018 64.340 62.300 0.035 0.000 1.049 344 V CB -0.366 31.481 31.823 0.040 0.000 0.662 344 V HN 1.120 nan 8.190 nan 0.000 0.455 345 N N 0.047 118.770 118.700 0.039 0.000 2.270 345 N HA -0.141 4.599 4.740 -0.000 0.000 0.181 345 N C 1.792 177.320 175.510 0.031 0.000 1.016 345 N CA 1.861 54.942 53.050 0.052 0.000 0.870 345 N CB -0.445 38.102 38.487 0.101 0.000 0.979 345 N HN 0.525 nan 8.380 nan 0.000 0.431 346 L N -0.123 121.100 121.223 0.001 0.000 2.162 346 L HA 0.165 4.504 4.340 -0.000 0.000 0.205 346 L C 2.461 179.337 176.870 0.010 0.000 1.086 346 L CA 1.021 55.843 54.840 -0.030 0.000 0.778 346 L CB -0.387 41.621 42.059 -0.086 0.000 0.928 346 L HN 0.298 nan 8.230 nan 0.000 0.446 347 G N -2.056 106.753 108.800 0.016 0.000 2.777 347 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.211 347 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.211 347 G C 1.083 175.983 174.900 -0.001 0.000 1.149 347 G CA 0.407 45.509 45.100 0.003 0.000 0.785 347 G HN 0.425 nan 8.290 nan 0.000 0.536 348 C N -0.566 118.743 119.300 0.014 0.000 3.785 348 C HA 0.757 5.217 4.460 -0.000 0.000 0.312 348 C C 1.168 176.174 174.990 0.027 0.000 1.566 348 C CA -0.086 58.942 59.018 0.016 0.000 1.837 348 C CB -0.389 27.360 27.740 0.015 0.000 2.826 348 C HN 0.549 nan 8.230 nan 0.000 0.667 349 A N 0.124 122.965 122.820 0.034 0.000 2.486 349 A HA 0.816 5.136 4.320 -0.000 0.000 0.277 349 A C -0.024 177.591 177.584 0.051 0.000 1.282 349 A CA -0.175 51.889 52.037 0.045 0.000 0.784 349 A CB 0.423 19.453 19.000 0.050 0.000 1.350 349 A HN 0.031 nan 8.150 nan 0.000 0.454 350 M N 1.214 120.850 119.600 0.060 0.000 2.723 350 M HA 0.262 4.741 4.480 -0.000 0.000 0.270 350 M C 1.040 177.369 176.300 0.049 0.000 1.282 350 M CA 0.735 56.071 55.300 0.061 0.000 0.995 350 M CB -1.262 31.383 32.600 0.075 0.000 1.430 350 M HN 1.410 nan 8.290 nan 0.000 0.477 351 G N 0.845 109.672 108.800 0.045 0.000 2.552 351 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.265 351 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.265 351 G C -0.393 174.614 174.900 0.179 0.000 1.234 351 G CA -0.373 44.749 45.100 0.036 0.000 0.944 351 G HN 0.640 nan 8.290 nan 0.000 0.568 352 H N 1.449 120.503 119.070 -0.027 0.000 2.505 352 H HA 0.421 4.977 4.556 -0.000 0.000 0.355 352 H C -1.826 173.505 175.328 0.005 0.000 1.179 352 H CA -1.252 54.792 56.048 -0.006 0.000 1.343 352 H CB 0.777 30.526 29.762 -0.021 0.000 1.501 352 H HN 0.352 nan 8.280 nan 0.000 0.569 353 P HA -0.012 nan 4.420 nan 0.000 0.271 353 P C 0.284 177.644 177.300 0.099 0.000 1.244 353 P CA -0.020 63.152 63.100 0.120 0.000 0.793 353 P CB 0.727 32.504 31.700 0.128 0.000 0.984 354 S N -0.150 115.607 115.700 0.095 0.000 2.355 354 S HA -0.156 4.313 4.470 -0.000 0.000 0.222 354 S C 1.578 176.216 174.600 0.062 0.000 1.031 354 S CA 1.024 59.261 58.200 0.063 0.000 0.993 354 S CB -1.066 62.183 63.200 0.081 0.000 0.859 354 S HN 0.518 nan 8.310 nan 0.000 0.453 355 F N 2.247 122.194 119.950 -0.005 0.000 2.161 355 F HA -0.161 4.366 4.527 -0.000 0.000 0.300 355 F C 2.325 178.046 175.800 -0.133 0.000 1.089 355 F CA 1.323 59.308 58.000 -0.025 0.000 1.282 355 F CB -0.406 38.604 39.000 0.017 0.000 1.010 355 F HN 0.078 nan 8.300 nan 0.000 0.485 356 V N 0.376 120.364 119.914 0.123 0.000 2.270 356 V HA -0.288 3.832 4.120 -0.000 0.000 0.245 356 V C 2.275 178.207 176.094 -0.269 0.000 1.043 356 V CA 2.159 64.502 62.300 0.072 0.000 1.014 356 V CB -0.393 31.622 31.823 0.320 0.000 0.645 356 V HN 0.372 nan 8.190 nan 0.000 0.447 357 M N 0.851 120.301 119.600 -0.251 0.000 2.106 357 M HA -0.137 4.343 4.480 -0.000 0.000 0.259 357 M C 2.546 178.506 176.300 -0.565 0.000 1.068 357 M CA 2.236 57.193 55.300 -0.572 0.000 1.100 357 M CB -1.601 30.620 32.600 -0.632 0.000 1.351 357 M HN 0.601 nan 8.290 nan 0.000 0.404 358 S N -0.510 114.974 115.700 -0.360 0.000 2.440 358 S HA -0.159 4.311 4.470 -0.000 0.000 0.238 358 S C 1.683 176.147 174.600 -0.226 0.000 1.010 358 S CA 1.803 59.887 58.200 -0.194 0.000 0.972 358 S CB -0.261 62.871 63.200 -0.114 0.000 0.774 358 S HN 0.597 nan 8.310 nan 0.000 0.501 359 N N 0.574 118.928 118.700 -0.576 0.000 2.197 359 N HA -0.004 4.736 4.740 -0.000 0.000 0.184 359 N C 2.025 177.372 175.510 -0.273 0.000 1.030 359 N CA 1.391 54.058 53.050 -0.639 0.000 0.851 359 N CB -0.229 37.443 38.487 -1.359 0.000 1.003 359 N HN 0.507 nan 8.380 nan 0.000 0.430 360 S N -0.416 115.140 115.700 -0.240 0.000 2.447 360 S HA -0.018 4.452 4.470 -0.000 0.000 0.233 360 S C 1.379 176.063 174.600 0.140 0.000 1.006 360 S CA 0.667 58.832 58.200 -0.059 0.000 0.957 360 S CB -0.386 62.773 63.200 -0.068 0.000 0.773 360 S HN 0.138 nan 8.310 nan 0.000 0.507 361 F N 2.367 122.280 119.950 -0.063 0.000 2.569 361 F HA 0.241 4.768 4.527 -0.000 0.000 0.295 361 F C 2.525 178.301 175.800 -0.040 0.000 1.115 361 F CA 0.145 58.122 58.000 -0.038 0.000 1.450 361 F CB -1.345 37.629 39.000 -0.044 0.000 1.107 361 F HN 0.239 nan 8.300 nan 0.000 0.563 362 T N -0.347 114.289 114.554 0.137 0.000 2.942 362 T HA -0.102 4.248 4.350 -0.000 0.000 0.265 362 T C 1.922 176.647 174.700 0.043 0.000 1.062 362 T CA 0.798 62.938 62.100 0.066 0.000 1.139 362 T CB -0.118 68.783 68.868 0.055 0.000 0.883 362 T HN 0.167 nan 8.240 nan 0.000 0.468 363 N N 1.205 119.935 118.700 0.050 0.000 2.120 363 N HA -0.111 4.628 4.740 -0.000 0.000 0.188 363 N C 2.049 177.577 175.510 0.029 0.000 1.024 363 N CA 1.152 54.221 53.050 0.033 0.000 0.852 363 N CB -0.237 38.267 38.487 0.029 0.000 1.003 363 N HN 0.320 nan 8.380 nan 0.000 0.424 364 Q N 0.904 120.739 119.800 0.059 0.000 2.050 364 Q HA -0.038 4.302 4.340 -0.000 0.000 0.202 364 Q C 2.059 178.048 176.000 -0.018 0.000 0.980 364 Q CA 1.066 56.886 55.803 0.028 0.000 0.840 364 Q CB -0.172 28.591 28.738 0.043 0.000 0.898 364 Q HN 0.113 nan 8.270 nan 0.000 0.424 365 V N 0.036 119.936 119.914 -0.023 0.000 2.427 365 V HA -0.266 3.854 4.120 -0.000 0.000 0.248 365 V C 2.183 178.224 176.094 -0.090 0.000 1.051 365 V CA 1.874 64.136 62.300 -0.063 0.000 1.048 365 V CB -0.505 31.280 31.823 -0.063 0.000 0.666 365 V HN 0.448 nan 8.190 nan 0.000 0.456 366 M N -0.354 119.206 119.600 -0.067 0.000 2.229 366 M HA -0.110 4.370 4.480 -0.000 0.000 0.264 366 M C 2.347 178.613 176.300 -0.057 0.000 1.063 366 M CA 1.834 57.091 55.300 -0.072 0.000 1.114 366 M CB -0.476 32.109 32.600 -0.025 0.000 1.387 366 M HN 0.415 nan 8.290 nan 0.000 0.420 367 A N 0.031 122.820 122.820 -0.052 0.000 1.902 367 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 367 A C 2.079 179.601 177.584 -0.103 0.000 1.181 367 A CA 1.252 53.242 52.037 -0.079 0.000 0.623 367 A CB -0.533 18.430 19.000 -0.063 0.000 0.818 367 A HN 0.427 nan 8.150 nan 0.000 0.443 368 Q N 0.061 119.811 119.800 -0.084 0.000 2.030 368 Q HA -0.181 4.159 4.340 -0.000 0.000 0.204 368 Q C 2.219 178.198 176.000 -0.035 0.000 0.986 368 Q CA 1.751 57.508 55.803 -0.077 0.000 0.843 368 Q CB -0.666 28.011 28.738 -0.101 0.000 0.904 368 Q HN 0.779 nan 8.270 nan 0.000 0.420 369 I N 1.041 121.573 120.570 -0.063 0.000 2.118 369 I HA -0.293 3.877 4.170 -0.000 0.000 0.241 369 I C 2.363 178.454 176.117 -0.043 0.000 1.070 369 I CA 1.268 62.539 61.300 -0.049 0.000 1.327 369 I CB -0.475 37.433 38.000 -0.152 0.000 1.034 369 I HN 0.196 nan 8.210 nan 0.000 0.405 370 E N 0.755 120.946 120.200 -0.015 0.000 2.005 370 E HA -0.223 4.126 4.350 -0.000 0.000 0.198 370 E C 2.206 178.765 176.600 -0.068 0.000 1.010 370 E CA 1.273 57.720 56.400 0.079 0.000 0.825 370 E CB -0.625 29.070 29.700 -0.009 0.000 0.769 370 E HN 0.234 nan 8.360 nan 0.000 0.456 371 L N 0.390 121.465 121.223 -0.247 0.000 2.089 371 L HA -0.202 4.138 4.340 -0.000 0.000 0.213 371 L C 2.021 178.884 176.870 -0.012 0.000 1.079 371 L CA 1.539 56.242 54.840 -0.230 0.000 0.758 371 L CB -0.736 41.205 42.059 -0.197 0.000 0.891 371 L HN 0.440 nan 8.230 nan 0.000 0.433 372 W N -1.694 119.503 121.300 -0.172 0.000 3.220 372 W HA 0.096 4.756 4.660 -0.000 0.000 0.328 372 W C 0.689 177.106 176.519 -0.170 0.000 1.205 372 W CA 0.700 57.957 57.345 -0.147 0.000 1.773 372 W CB 0.367 29.742 29.460 -0.141 0.000 1.086 372 W HN 0.081 nan 8.180 nan 0.000 0.622 373 T N -0.545 113.825 114.554 -0.307 0.000 2.975 373 T HA 0.118 4.468 4.350 -0.000 0.000 0.261 373 T C 0.029 174.341 174.700 -0.648 0.000 0.984 373 T CA 0.393 62.168 62.100 -0.542 0.000 0.911 373 T CB 0.078 68.610 68.868 -0.561 0.000 1.127 373 T HN 0.006 nan 8.240 nan 0.000 0.514 374 H N 0.549 119.622 119.070 0.005 0.000 2.651 374 H HA 0.259 4.815 4.556 -0.000 0.000 0.241 374 H C -1.848 173.558 175.328 0.130 0.000 1.225 374 H CA -1.937 54.159 56.048 0.080 0.000 0.942 374 H CB 0.316 30.194 29.762 0.193 0.000 1.996 374 H HN 0.201 nan 8.280 nan 0.000 0.600 375 P HA -0.209 nan 4.420 nan 0.000 0.217 375 P C 0.767 178.110 177.300 0.071 0.000 1.158 375 P CA 1.421 64.559 63.100 0.063 0.000 0.887 375 P CB 0.460 32.127 31.700 -0.055 0.000 0.792 376 D N -0.275 120.144 120.400 0.032 0.000 2.190 376 D HA -0.151 4.489 4.640 -0.000 0.000 0.200 376 D C 1.961 178.234 176.300 -0.045 0.000 0.992 376 D CA 1.173 55.171 54.000 -0.004 0.000 0.854 376 D CB -0.395 40.398 40.800 -0.011 0.000 0.936 376 D HN 0.283 nan 8.370 nan 0.000 0.462 377 K N -0.552 119.812 120.400 -0.060 0.000 2.288 377 K HA -0.036 4.283 4.320 -0.000 0.000 0.201 377 K C -0.182 176.045 176.600 -0.622 0.000 1.048 377 K CA 0.551 56.636 56.287 -0.337 0.000 0.956 377 K CB 0.236 32.466 32.500 -0.450 0.000 0.746 377 K HN 0.301 nan 8.250 nan 0.000 0.461 378 Y N 1.572 121.770 120.300 -0.171 0.000 2.686 378 Y HA 0.244 4.793 4.550 -0.000 0.000 0.331 378 Y C -2.223 173.552 175.900 -0.208 0.000 0.996 378 Y CA -3.009 54.853 58.100 -0.396 0.000 1.293 378 Y CB 0.744 38.920 38.460 -0.473 0.000 1.092 378 Y HN 0.013 nan 8.280 nan 0.000 0.524 379 P HA 0.079 nan 4.420 nan 0.000 0.274 379 P C -0.134 177.292 177.300 0.209 0.000 1.256 379 P CA -0.321 62.845 63.100 0.110 0.000 0.795 379 P CB 1.442 33.206 31.700 0.108 0.000 1.038 380 V N 0.704 120.703 119.914 0.141 0.000 2.458 380 V HA 0.418 4.538 4.120 -0.000 0.000 0.287 380 V C 1.185 177.372 176.094 0.155 0.000 1.009 380 V CA 1.571 63.956 62.300 0.142 0.000 1.091 380 V CB -0.771 31.101 31.823 0.082 0.000 0.960 380 V HN 1.062 nan 8.190 nan 0.000 0.476 381 G N 3.397 112.308 108.800 0.185 0.000 2.316 381 G HA2 0.347 4.307 3.960 -0.000 0.000 0.296 381 G HA3 0.347 4.307 3.960 -0.000 0.000 0.296 381 G C -1.504 173.399 174.900 0.004 0.000 1.399 381 G CA -0.220 44.892 45.100 0.021 0.000 0.833 381 G HN 0.736 nan 8.290 nan 0.000 0.565 382 V N 1.300 121.079 119.914 -0.225 0.000 2.333 382 V HA 0.678 4.798 4.120 -0.000 0.000 0.274 382 V C -0.273 175.712 176.094 -0.183 0.000 1.028 382 V CA -0.447 61.731 62.300 -0.203 0.000 0.851 382 V CB -0.113 31.348 31.823 -0.604 0.000 1.000 382 V HN 0.772 nan 8.190 nan 0.000 0.456 383 H N 6.259 125.397 119.070 0.113 0.000 2.544 383 H HA 0.643 5.199 4.556 -0.000 0.000 0.342 383 H C -0.798 174.809 175.328 0.465 0.000 1.185 383 H CA -0.640 55.555 56.048 0.244 0.000 1.264 383 H CB 1.000 30.984 29.762 0.370 0.000 1.607 383 H HN 0.557 nan 8.280 nan 0.000 0.550 384 F N 0.615 120.722 119.950 0.262 0.000 2.458 384 F HA 0.225 4.752 4.527 -0.000 0.000 0.330 384 F C -0.012 175.912 175.800 0.206 0.000 1.082 384 F CA -1.227 56.888 58.000 0.191 0.000 0.995 384 F CB 0.900 39.993 39.000 0.155 0.000 1.170 384 F HN 0.249 nan 8.300 nan 0.000 0.478 385 L N 6.093 127.476 121.223 0.266 0.000 2.456 385 L HA 0.303 4.643 4.340 -0.000 0.000 0.272 385 L C -1.887 175.104 176.870 0.202 0.000 1.189 385 L CA -1.701 53.257 54.840 0.197 0.000 0.846 385 L CB -0.357 41.758 42.059 0.094 0.000 1.111 385 L HN 0.359 nan 8.230 nan 0.000 0.475 386 P HA 0.008 nan 4.420 nan 0.000 0.269 386 P C -0.098 177.270 177.300 0.113 0.000 1.215 386 P CA -0.242 62.943 63.100 0.141 0.000 0.780 386 P CB 0.542 32.305 31.700 0.105 0.000 0.898 387 K N 2.397 122.860 120.400 0.104 0.000 2.057 387 K HA -0.148 4.172 4.320 -0.000 0.000 0.206 387 K C 1.873 178.513 176.600 0.067 0.000 1.050 387 K CA 1.098 57.444 56.287 0.098 0.000 0.935 387 K CB -0.176 32.389 32.500 0.109 0.000 0.715 387 K HN 0.106 nan 8.250 nan 0.000 0.439 388 K N 0.849 121.268 120.400 0.032 0.000 2.281 388 K HA -0.109 4.211 4.320 -0.000 0.000 0.203 388 K C 1.718 178.342 176.600 0.040 0.000 1.046 388 K CA 1.071 57.360 56.287 0.003 0.000 0.938 388 K CB -0.036 32.450 32.500 -0.024 0.000 0.737 388 K HN 0.330 nan 8.250 nan 0.000 0.458 389 L N -0.114 121.145 121.223 0.060 0.000 2.477 389 L HA -0.074 4.265 4.340 -0.000 0.000 0.220 389 L C 1.899 178.809 176.870 0.068 0.000 1.106 389 L CA 0.303 55.184 54.840 0.068 0.000 0.851 389 L CB -0.086 42.018 42.059 0.075 0.000 0.994 389 L HN 0.044 nan 8.230 nan 0.000 0.462 390 D N 0.633 121.074 120.400 0.069 0.000 2.091 390 D HA -0.176 4.464 4.640 -0.000 0.000 0.199 390 D C 1.917 178.264 176.300 0.078 0.000 0.980 390 D CA 1.196 55.231 54.000 0.059 0.000 0.831 390 D CB 0.209 41.039 40.800 0.049 0.000 0.987 390 D HN 0.266 nan 8.370 nan 0.000 0.460 391 E N 0.454 120.716 120.200 0.103 0.000 2.219 391 E HA -0.200 4.150 4.350 -0.000 0.000 0.198 391 E C 2.040 178.719 176.600 0.132 0.000 0.998 391 E CA 0.996 57.483 56.400 0.146 0.000 0.818 391 E CB -0.154 29.660 29.700 0.189 0.000 0.741 391 E HN 0.295 nan 8.360 nan 0.000 0.477 392 A N 1.396 124.278 122.820 0.103 0.000 1.898 392 A HA -0.121 4.199 4.320 -0.000 0.000 0.216 392 A C 2.580 180.217 177.584 0.089 0.000 1.181 392 A CA 1.199 53.292 52.037 0.093 0.000 0.620 392 A CB -0.613 18.437 19.000 0.083 0.000 0.819 392 A HN 0.136 nan 8.150 nan 0.000 0.442 393 V N -0.044 119.922 119.914 0.087 0.000 2.407 393 V HA -0.228 3.891 4.120 -0.000 0.000 0.248 393 V C 2.944 179.148 176.094 0.184 0.000 1.055 393 V CA 1.827 64.186 62.300 0.099 0.000 1.049 393 V CB -1.462 30.397 31.823 0.060 0.000 0.662 393 V HN 0.613 nan 8.190 nan 0.000 0.455 394 A N -0.274 122.639 122.820 0.154 0.000 1.825 394 A HA -0.219 4.101 4.320 -0.000 0.000 0.214 394 A C 2.291 179.992 177.584 0.195 0.000 1.206 394 A CA 1.623 53.773 52.037 0.188 0.000 0.609 394 A CB -0.717 18.382 19.000 0.165 0.000 0.851 394 A HN 0.426 nan 8.150 nan 0.000 0.445 395 E N 0.110 120.399 120.200 0.149 0.000 2.169 395 E HA -0.260 4.090 4.350 -0.000 0.000 0.202 395 E C 2.038 178.684 176.600 0.078 0.000 1.016 395 E CA 1.428 57.899 56.400 0.119 0.000 0.817 395 E CB -0.360 29.408 29.700 0.112 0.000 0.736 395 E HN 0.507 nan 8.360 nan 0.000 0.462 396 A N -0.186 122.653 122.820 0.031 0.000 2.216 396 A HA -0.133 4.187 4.320 -0.000 0.000 0.214 396 A C 1.559 179.001 177.584 -0.237 0.000 1.160 396 A CA 0.948 52.919 52.037 -0.108 0.000 0.725 396 A CB -0.368 18.522 19.000 -0.184 0.000 0.784 396 A HN 0.282 nan 8.150 nan 0.000 0.472 397 H N -2.033 117.058 119.070 0.035 0.000 2.740 397 H HA 0.154 4.710 4.556 -0.000 0.000 0.265 397 H C 1.058 176.503 175.328 0.194 0.000 0.978 397 H CA 0.028 56.134 56.048 0.098 0.000 1.198 397 H CB 0.347 30.113 29.762 0.006 0.000 1.467 397 H HN 0.327 nan 8.280 nan 0.000 0.511 398 L N 0.764 122.121 121.223 0.224 0.000 2.353 398 L HA -0.035 4.305 4.340 -0.000 0.000 0.220 398 L C 2.439 179.379 176.870 0.117 0.000 1.133 398 L CA 1.222 56.159 54.840 0.162 0.000 0.798 398 L CB -0.913 41.216 42.059 0.117 0.000 0.922 398 L HN 0.270 nan 8.230 nan 0.000 0.445 399 G N -1.067 107.795 108.800 0.103 0.000 2.424 399 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.214 399 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.214 399 G C 1.690 176.639 174.900 0.081 0.000 1.202 399 G CA 0.678 45.820 45.100 0.070 0.000 0.793 399 G HN 0.226 nan 8.290 nan 0.000 0.534 400 K N 0.766 121.243 120.400 0.127 0.000 2.052 400 K HA -0.170 4.150 4.320 -0.000 0.000 0.215 400 K C 2.235 178.868 176.600 0.055 0.000 1.053 400 K CA 1.754 58.119 56.287 0.131 0.000 0.934 400 K CB -0.802 31.877 32.500 0.298 0.000 0.717 400 K HN 0.358 nan 8.250 nan 0.000 0.450 401 L N -0.274 120.978 121.223 0.049 0.000 2.591 401 L HA 0.260 4.600 4.340 -0.000 0.000 0.228 401 L C 0.197 177.068 176.870 0.001 0.000 1.133 401 L CA 0.214 55.040 54.840 -0.024 0.000 0.880 401 L CB -1.154 40.864 42.059 -0.069 0.000 1.033 401 L HN 0.252 nan 8.230 nan 0.000 0.450 402 N N 0.696 119.412 118.700 0.026 0.000 2.681 402 N HA -0.180 4.560 4.740 -0.000 0.000 0.259 402 N C -0.607 174.914 175.510 0.018 0.000 1.066 402 N CA 0.885 53.947 53.050 0.020 0.000 0.717 402 N CB -0.804 37.687 38.487 0.007 0.000 0.885 402 N HN 0.445 nan 8.380 nan 0.000 0.547 403 V N -0.648 119.285 119.914 0.032 0.000 2.495 403 V HA 0.689 4.809 4.120 -0.000 0.000 0.298 403 V C 0.321 176.431 176.094 0.027 0.000 1.031 403 V CA -0.930 61.386 62.300 0.027 0.000 0.871 403 V CB 1.780 33.625 31.823 0.037 0.000 0.988 403 V HN 0.223 nan 8.190 nan 0.000 0.432 404 K N 4.905 125.315 120.400 0.016 0.000 2.250 404 K HA 0.509 4.829 4.320 -0.000 0.000 0.285 404 K C -0.621 175.984 176.600 0.009 0.000 1.097 404 K CA -0.299 55.996 56.287 0.013 0.000 0.913 404 K CB 0.847 33.351 32.500 0.007 0.000 1.179 404 K HN 0.751 nan 8.250 nan 0.000 0.462 405 L N 3.244 124.475 121.223 0.012 0.000 2.360 405 L HA 0.187 4.527 4.340 -0.000 0.000 0.276 405 L C -0.210 176.651 176.870 -0.014 0.000 1.121 405 L CA 0.591 55.430 54.840 -0.002 0.000 0.845 405 L CB 0.826 42.890 42.059 0.010 0.000 1.143 405 L HN 0.574 nan 8.230 nan 0.000 0.452 406 T N 5.285 119.819 114.554 -0.034 0.000 2.919 406 T HA 0.152 4.502 4.350 -0.000 0.000 0.302 406 T C 0.101 174.772 174.700 -0.047 0.000 1.031 406 T CA -0.264 61.814 62.100 -0.035 0.000 1.127 406 T CB 0.342 69.185 68.868 -0.042 0.000 0.952 406 T HN 0.322 nan 8.240 nan 0.000 0.540 407 K N 3.337 123.725 120.400 -0.020 0.000 2.265 407 K HA 0.298 4.618 4.320 -0.000 0.000 0.267 407 K C -0.234 176.370 176.600 0.006 0.000 0.994 407 K CA -0.768 55.518 56.287 -0.001 0.000 0.860 407 K CB 1.129 33.644 32.500 0.026 0.000 1.099 407 K HN 0.326 nan 8.250 nan 0.000 0.448 408 L N 2.644 123.876 121.223 0.015 0.000 2.473 408 L HA 0.010 4.350 4.340 -0.000 0.000 0.280 408 L C 0.548 177.447 176.870 0.048 0.000 1.266 408 L CA 1.080 55.942 54.840 0.037 0.000 0.824 408 L CB 0.277 42.390 42.059 0.091 0.000 1.091 408 L HN 0.825 nan 8.230 nan 0.000 0.534 409 T N -1.784 112.798 114.554 0.046 0.000 2.893 409 T HA 0.339 4.689 4.350 -0.000 0.000 0.293 409 T C 0.761 175.491 174.700 0.050 0.000 1.027 409 T CA -0.812 61.312 62.100 0.041 0.000 0.988 409 T CB 1.528 70.411 68.868 0.025 0.000 1.043 409 T HN 0.543 nan 8.240 nan 0.000 0.461 410 E N 1.671 121.898 120.200 0.045 0.000 2.240 410 E HA -0.318 4.032 4.350 -0.000 0.000 0.236 410 E C 1.733 178.367 176.600 0.056 0.000 1.085 410 E CA 2.008 58.436 56.400 0.047 0.000 0.979 410 E CB -0.247 29.475 29.700 0.035 0.000 0.845 410 E HN 0.815 nan 8.360 nan 0.000 0.483 411 K N 0.382 120.812 120.400 0.050 0.000 2.020 411 K HA -0.216 4.104 4.320 -0.000 0.000 0.212 411 K C 2.358 179.017 176.600 0.099 0.000 1.050 411 K CA 1.837 58.161 56.287 0.062 0.000 0.929 411 K CB -0.126 32.395 32.500 0.036 0.000 0.714 411 K HN 0.196 nan 8.250 nan 0.000 0.443 412 Q N -0.290 119.557 119.800 0.077 0.000 1.975 412 Q HA -0.196 4.144 4.340 -0.000 0.000 0.205 412 Q C 2.179 178.270 176.000 0.152 0.000 0.990 412 Q CA 1.749 57.615 55.803 0.105 0.000 0.845 412 Q CB -0.315 28.457 28.738 0.057 0.000 0.913 412 Q HN 0.421 nan 8.270 nan 0.000 0.420 413 A N 0.836 123.723 122.820 0.112 0.000 1.896 413 A HA -0.360 3.960 4.320 -0.000 0.000 0.220 413 A C 2.040 179.683 177.584 0.098 0.000 1.206 413 A CA 2.199 54.302 52.037 0.110 0.000 0.647 413 A CB -0.833 18.223 19.000 0.093 0.000 0.828 413 A HN 0.340 nan 8.150 nan 0.000 0.455 414 Q N -1.921 117.934 119.800 0.093 0.000 2.002 414 Q HA -0.210 4.130 4.340 -0.000 0.000 0.204 414 Q C 1.955 178.002 176.000 0.078 0.000 0.988 414 Q CA 2.324 58.171 55.803 0.073 0.000 0.843 414 Q CB -0.592 28.191 28.738 0.074 0.000 0.908 414 Q HN 0.768 nan 8.270 nan 0.000 0.420 415 Y N 0.234 120.545 120.300 0.018 0.000 2.102 415 Y HA -0.276 4.274 4.550 -0.000 0.000 0.280 415 Y C 1.602 177.513 175.900 0.018 0.000 1.178 415 Y CA 1.910 60.020 58.100 0.016 0.000 1.146 415 Y CB -0.177 38.291 38.460 0.014 0.000 0.968 415 Y HN 0.135 nan 8.280 nan 0.000 0.504 416 L N -0.596 120.675 121.223 0.082 0.000 2.291 416 L HA 0.075 4.415 4.340 -0.000 0.000 0.214 416 L C 1.563 178.413 176.870 -0.033 0.000 1.120 416 L CA 0.731 55.583 54.840 0.020 0.000 0.799 416 L CB -0.822 41.307 42.059 0.116 0.000 0.925 416 L HN 0.480 nan 8.230 nan 0.000 0.446 417 G N 1.479 110.268 108.800 -0.019 0.000 2.326 417 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.286 417 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.286 417 G C -0.104 174.793 174.900 -0.004 0.000 1.096 417 G CA 0.529 45.614 45.100 -0.024 0.000 1.003 417 G HN 0.391 nan 8.290 nan 0.000 0.503 418 M N -1.798 117.815 119.600 0.021 0.000 2.520 418 M HA 0.738 5.218 4.480 -0.000 0.000 0.280 418 M C -3.008 173.308 176.300 0.026 0.000 1.232 418 M CA -2.315 52.995 55.300 0.018 0.000 0.892 418 M CB 2.153 34.782 32.600 0.050 0.000 1.728 418 M HN -0.054 nan 8.290 nan 0.000 0.475 419 P HA 0.143 nan 4.420 nan 0.000 0.271 419 P C 0.756 178.074 177.300 0.029 0.000 1.226 419 P CA -0.110 62.981 63.100 -0.015 0.000 0.765 419 P CB 0.981 32.643 31.700 -0.063 0.000 0.835 420 I N 2.295 122.912 120.570 0.079 0.000 2.381 420 I HA -0.353 3.817 4.170 -0.000 0.000 0.255 420 I C 0.415 176.663 176.117 0.219 0.000 1.140 420 I CA 1.942 63.333 61.300 0.152 0.000 1.404 420 I CB 0.072 38.132 38.000 0.101 0.000 1.075 420 I HN 0.254 nan 8.210 nan 0.000 0.433 421 N N 0.367 119.116 118.700 0.082 0.000 2.382 421 N HA 0.160 4.900 4.740 -0.000 0.000 0.200 421 N C 0.833 176.194 175.510 -0.247 0.000 1.122 421 N CA 0.640 53.719 53.050 0.048 0.000 0.870 421 N CB -0.182 38.327 38.487 0.037 0.000 1.176 421 N HN 0.337 nan 8.380 nan 0.000 0.474 422 G N 1.853 110.494 108.800 -0.265 0.000 2.794 422 G HA2 0.147 4.107 3.960 -0.000 0.000 0.249 422 G HA3 0.147 4.107 3.960 -0.000 0.000 0.249 422 G C -2.432 172.043 174.900 -0.709 0.000 1.236 422 G CA -0.483 44.410 45.100 -0.345 0.000 0.880 422 G HN -0.010 nan 8.290 nan 0.000 0.586 423 P HA 0.031 nan 4.420 nan 0.000 0.262 423 P C -0.185 176.823 177.300 -0.486 0.000 1.182 423 P CA 0.321 63.159 63.100 -0.435 0.000 0.761 423 P CB 0.168 31.767 31.700 -0.168 0.000 0.795 424 F N 1.767 121.713 119.950 -0.006 0.000 2.727 424 F HA 0.234 4.761 4.527 -0.000 0.000 0.302 424 F C 1.153 176.874 175.800 -0.133 0.000 1.097 424 F CA 0.580 58.550 58.000 -0.050 0.000 1.330 424 F CB 0.028 39.006 39.000 -0.037 0.000 1.084 424 F HN 0.086 nan 8.300 nan 0.000 0.578 425 K N -0.198 120.192 120.400 -0.018 0.000 2.508 425 K HA 0.418 4.738 4.320 -0.000 0.000 0.260 425 K C -2.765 173.774 176.600 -0.102 0.000 0.949 425 K CA -1.971 54.209 56.287 -0.179 0.000 0.834 425 K CB 1.850 34.028 32.500 -0.537 0.000 1.365 425 K HN -0.319 nan 8.250 nan 0.000 0.437 426 P HA 0.018 nan 4.420 nan 0.000 0.271 426 P C -0.064 177.165 177.300 -0.118 0.000 1.244 426 P CA -0.151 62.834 63.100 -0.192 0.000 0.793 426 P CB 0.507 31.955 31.700 -0.420 0.000 0.984 427 D N -0.576 119.746 120.400 -0.130 0.000 2.183 427 D HA -0.121 4.519 4.640 -0.000 0.000 0.203 427 D C 1.358 177.718 176.300 0.100 0.000 0.969 427 D CA 1.393 55.413 54.000 0.033 0.000 0.842 427 D CB -0.351 40.484 40.800 0.059 0.000 0.957 427 D HN 0.609 nan 8.370 nan 0.000 0.484 428 H N -1.679 117.485 119.070 0.157 0.000 2.547 428 H HA 0.042 4.598 4.556 -0.000 0.000 0.266 428 H C 0.145 175.558 175.328 0.141 0.000 0.988 428 H CA -0.553 55.577 56.048 0.136 0.000 1.147 428 H CB -1.314 28.500 29.762 0.087 0.000 1.365 428 H HN 0.030 nan 8.280 nan 0.000 0.589 429 Y N 2.537 122.901 120.300 0.106 0.000 2.702 429 Y HA 0.012 4.562 4.550 -0.000 0.000 0.336 429 Y C 1.089 177.059 175.900 0.118 0.000 1.235 429 Y CA 0.148 58.275 58.100 0.044 0.000 1.492 429 Y CB 0.649 38.978 38.460 -0.219 0.000 1.308 429 Y HN 0.174 nan 8.280 nan 0.000 0.589 430 R N 3.547 123.768 120.500 -0.464 0.000 2.335 430 R HA 0.077 4.417 4.340 -0.000 0.000 0.210 430 R C -0.629 175.649 176.300 -0.036 0.000 0.892 430 R CA -0.137 55.880 56.100 -0.138 0.000 1.048 430 R CB 0.045 30.269 30.300 -0.126 0.000 1.067 430 R HN 0.803 nan 8.270 nan 0.000 0.524 431 Y N 0.000 119.971 120.300 -0.548 0.000 2.660 431 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 431 Y CA 0.000 58.049 58.100 -0.086 0.000 1.940 431 Y CB 0.000 38.556 38.460 0.160 0.000 1.050 431 Y HN 0.000 nan 8.280 nan 0.000 0.758