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 2e1u_1_B DATA FIRST_RESID 6 DATA SEQUENCE ILTVLEQSQV SPPPDTLGDK SLQLTFFDFF WLRSPPINNL FFYELPITRS DATA SEQUENCE QFTETVVPNI KHSLSITLKH FYPFVGKLVV YPAPTKKPEI CYVEGDSVAV DATA SEQUENCE TFAECNLDLN ELTGNHPRNc DKFYDLVPIL GESTRLSDCI KIPLFSVQVT DATA SEQUENCE LFPNQGIAIG ITNHHCLGDA STRFCFLKAW TSIARSGNND ESFLANGTRP DATA SEQUENCE LYDRIIKYPM LDEAYLKRAK VESFNEDYVT QSLAGPSDKL RATFILTRAV DATA SEQUENCE INQLKDRVLA QLPTLEYVSS FTVACAYIWS CIAKSRNDKL QLFGFPIDRR DATA SEQUENCE ARMKPPIPTA YFGNCVGGCA AIAKTNLLIG KEGFITAAKL IGENLHKTLT DATA SEQUENCE DYKDGVLKDX XXXXNDLVSE GMPTTMTWVS GTPKLRFYDM DFGWGKPKKL DATA SEQUENCE ETVSIDHNGA ISINSCKESN EDLEIGVcIS ATQMEDFVHI FDDGL 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 6 I HA 0.000 nan 4.170 nan 0.000 0.288 6 I C 0.000 176.059 176.117 -0.097 0.000 1.063 6 I CA 0.000 61.261 61.300 -0.065 0.000 1.566 6 I CB 0.000 37.969 38.000 -0.052 0.000 1.214 7 L N 2.915 124.088 121.223 -0.084 0.000 2.264 7 L HA 0.501 4.841 4.340 -0.001 0.000 0.289 7 L C -0.373 176.456 176.870 -0.068 0.000 1.044 7 L CA 0.434 55.218 54.840 -0.095 0.000 0.807 7 L CB 1.342 43.358 42.059 -0.072 0.000 1.192 7 L HN 0.140 nan 8.230 nan 0.000 0.425 8 T N 4.300 118.806 114.554 -0.079 0.000 2.770 8 T HA 0.396 4.745 4.350 -0.001 0.000 0.283 8 T C -0.393 174.290 174.700 -0.028 0.000 0.988 8 T CA -0.419 61.651 62.100 -0.049 0.000 0.957 8 T CB 1.352 70.187 68.868 -0.056 0.000 0.930 8 T HN 0.258 nan 8.240 nan 0.000 0.443 9 V N 5.838 125.751 119.914 -0.001 0.000 2.389 9 V HA 0.165 4.285 4.120 -0.001 0.000 0.264 9 V C 1.211 177.337 176.094 0.053 0.000 1.049 9 V CA -0.021 62.297 62.300 0.030 0.000 0.932 9 V CB 0.339 32.182 31.823 0.032 0.000 1.011 9 V HN 0.848 nan 8.190 nan 0.000 0.475 10 L N 3.056 124.336 121.223 0.094 0.000 2.127 10 L HA 0.296 4.636 4.340 -0.001 0.000 0.203 10 L C 1.013 177.961 176.870 0.130 0.000 1.080 10 L CA 0.956 55.863 54.840 0.111 0.000 0.768 10 L CB 0.175 42.327 42.059 0.155 0.000 0.924 10 L HN 0.651 nan 8.230 nan 0.000 0.444 11 E N -0.185 120.138 120.200 0.205 0.000 2.321 11 E HA 0.181 4.530 4.350 -0.001 0.000 0.281 11 E C -1.279 175.463 176.600 0.237 0.000 0.910 11 E CA -0.560 55.964 56.400 0.207 0.000 0.770 11 E CB 1.423 31.244 29.700 0.202 0.000 1.225 11 E HN -0.059 nan 8.360 nan 0.000 0.417 12 Q N 2.301 122.191 119.800 0.150 0.000 2.430 12 Q HA 0.273 4.612 4.340 -0.001 0.000 0.245 12 Q C -0.558 175.517 176.000 0.125 0.000 1.021 12 Q CA -0.289 55.583 55.803 0.115 0.000 0.867 12 Q CB 1.529 30.307 28.738 0.067 0.000 1.210 12 Q HN 0.570 nan 8.270 nan 0.000 0.487 13 S N 2.542 118.338 115.700 0.160 0.000 2.704 13 S HA 0.639 5.109 4.470 -0.001 0.000 0.305 13 S C -0.441 174.224 174.600 0.107 0.000 1.107 13 S CA -0.683 57.615 58.200 0.162 0.000 0.993 13 S CB 2.078 65.450 63.200 0.286 0.000 1.110 13 S HN 0.345 nan 8.310 nan 0.000 0.534 14 Q N 1.029 120.889 119.800 0.099 0.000 2.304 14 Q HA 0.522 4.862 4.340 -0.001 0.000 0.270 14 Q C -1.487 174.569 176.000 0.093 0.000 1.035 14 Q CA -0.592 55.259 55.803 0.080 0.000 0.781 14 Q CB 2.032 30.808 28.738 0.065 0.000 1.261 14 Q HN 0.609 nan 8.270 nan 0.000 0.444 15 V N 1.802 121.773 119.914 0.096 0.000 2.409 15 V HA 0.514 4.634 4.120 -0.001 0.000 0.291 15 V C -0.068 176.086 176.094 0.101 0.000 1.020 15 V CA -0.344 62.017 62.300 0.101 0.000 0.848 15 V CB 1.840 33.726 31.823 0.104 0.000 0.990 15 V HN 0.678 nan 8.190 nan 0.000 0.430 16 S N 5.817 121.575 115.700 0.097 0.000 2.664 16 S HA 0.687 5.157 4.470 -0.001 0.000 0.304 16 S C -2.590 172.058 174.600 0.080 0.000 1.099 16 S CA -1.187 57.079 58.200 0.110 0.000 1.003 16 S CB 2.075 65.344 63.200 0.115 0.000 1.092 16 S HN 0.570 nan 8.310 nan 0.000 0.525 17 P HA 0.269 nan 4.420 nan 0.000 0.271 17 P C -2.685 174.636 177.300 0.036 0.000 1.233 17 P CA -1.234 61.873 63.100 0.011 0.000 0.789 17 P CB -0.798 30.867 31.700 -0.058 0.000 0.951 18 P HA 0.114 nan 4.420 nan 0.000 0.269 18 P C -2.220 175.100 177.300 0.033 0.000 1.209 18 P CA -0.848 62.277 63.100 0.040 0.000 0.776 18 P CB -1.228 30.497 31.700 0.041 0.000 0.876 19 P HA -0.127 nan 4.420 nan 0.000 0.263 19 P C -0.193 177.120 177.300 0.023 0.000 1.175 19 P CA 0.903 64.022 63.100 0.031 0.000 0.761 19 P CB 0.028 31.743 31.700 0.025 0.000 0.794 20 D N 0.743 121.156 120.400 0.022 0.000 2.699 20 D HA -0.134 4.506 4.640 -0.001 0.000 0.239 20 D C 0.723 177.025 176.300 0.003 0.000 1.136 20 D CA 1.552 55.559 54.000 0.013 0.000 0.668 20 D CB -1.894 38.911 40.800 0.009 0.000 1.060 20 D HN 0.602 nan 8.370 nan 0.000 0.429 21 T N -3.709 110.844 114.554 -0.001 0.000 3.010 21 T HA 0.322 4.671 4.350 -0.001 0.000 0.252 21 T C 0.347 175.018 174.700 -0.048 0.000 0.963 21 T CA -0.163 61.919 62.100 -0.029 0.000 0.952 21 T CB 0.773 69.612 68.868 -0.048 0.000 1.182 21 T HN 0.082 nan 8.240 nan 0.000 0.495 22 L N 1.875 123.084 121.223 -0.024 0.000 2.409 22 L HA 0.827 5.167 4.340 -0.001 0.000 0.272 22 L C 0.242 177.158 176.870 0.077 0.000 0.980 22 L CA -0.489 54.329 54.840 -0.036 0.000 0.826 22 L CB 1.737 43.710 42.059 -0.143 0.000 1.268 22 L HN 0.360 nan 8.230 nan 0.000 0.407 23 G N 1.755 110.574 108.800 0.032 0.000 2.535 23 G HA2 0.310 4.270 3.960 -0.001 0.000 0.303 23 G HA3 0.310 4.270 3.960 -0.001 0.000 0.303 23 G C -0.877 174.091 174.900 0.114 0.000 1.237 23 G CA -0.664 44.467 45.100 0.051 0.000 0.986 23 G HN 0.577 nan 8.290 nan 0.000 0.494 24 D N 0.419 120.834 120.400 0.025 0.000 2.533 24 D HA 0.256 4.896 4.640 -0.001 0.000 0.236 24 D C 0.245 176.537 176.300 -0.012 0.000 1.137 24 D CA 1.007 55.002 54.000 -0.007 0.000 0.867 24 D CB 0.607 41.373 40.800 -0.057 0.000 1.170 24 D HN 0.137 nan 8.370 nan 0.000 0.474 25 K N 1.114 121.530 120.400 0.026 0.000 2.523 25 K HA 0.441 4.761 4.320 -0.001 0.000 0.257 25 K C -1.018 175.598 176.600 0.026 0.000 0.932 25 K CA -0.758 55.438 56.287 -0.150 0.000 0.812 25 K CB 2.295 34.381 32.500 -0.691 0.000 1.326 25 K HN 0.209 nan 8.250 nan 0.000 0.433 26 S N 1.400 117.115 115.700 0.025 0.000 2.578 26 S HA 0.601 5.070 4.470 -0.001 0.000 0.301 26 S C -1.363 173.353 174.600 0.192 0.000 1.091 26 S CA -0.705 57.571 58.200 0.127 0.000 1.032 26 S CB 1.134 64.382 63.200 0.080 0.000 1.064 26 S HN 0.432 nan 8.310 nan 0.000 0.508 27 L N 3.277 124.602 121.223 0.170 0.000 2.404 27 L HA 0.489 4.829 4.340 -0.001 0.000 0.272 27 L C -0.948 175.989 176.870 0.111 0.000 0.980 27 L CA -0.377 54.534 54.840 0.118 0.000 0.836 27 L CB 1.605 43.668 42.059 0.006 0.000 1.238 27 L HN 0.452 nan 8.230 nan 0.000 0.408 28 Q N 4.302 124.171 119.800 0.115 0.000 2.373 28 Q HA 0.483 4.822 4.340 -0.001 0.000 0.255 28 Q C -0.871 175.179 176.000 0.084 0.000 0.980 28 Q CA 0.126 56.002 55.803 0.122 0.000 0.882 28 Q CB 1.439 30.251 28.738 0.123 0.000 1.249 28 Q HN 0.631 nan 8.270 nan 0.000 0.438 29 L N 0.562 121.806 121.223 0.035 0.000 2.322 29 L HA 0.613 4.953 4.340 -0.001 0.000 0.269 29 L C 0.764 177.360 176.870 -0.457 0.000 1.012 29 L CA -0.886 53.823 54.840 -0.219 0.000 0.815 29 L CB 1.794 43.641 42.059 -0.353 0.000 1.295 29 L HN 0.689 nan 8.230 nan 0.000 0.438 30 T N -2.757 111.492 114.554 -0.509 0.000 2.922 30 T HA 0.354 4.704 4.350 -0.001 0.000 0.281 30 T C 0.981 175.286 174.700 -0.659 0.000 1.005 30 T CA -0.499 61.364 62.100 -0.395 0.000 0.982 30 T CB 0.841 69.587 68.868 -0.204 0.000 1.158 30 T HN 0.485 nan 8.240 nan 0.000 0.566 31 F N -0.505 119.257 119.950 -0.314 0.000 2.216 31 F HA 0.095 4.622 4.527 -0.001 0.000 0.300 31 F C 1.712 177.276 175.800 -0.394 0.000 1.085 31 F CA 0.513 58.298 58.000 -0.358 0.000 1.326 31 F CB -1.260 37.267 39.000 -0.788 0.000 1.027 31 F HN 0.387 nan 8.300 nan 0.000 0.497 32 F N 1.791 121.102 119.950 -1.065 0.000 2.161 32 F HA -0.180 4.346 4.527 -0.001 0.000 0.300 32 F C 2.219 177.964 175.800 -0.091 0.000 1.089 32 F CA 1.602 59.256 58.000 -0.576 0.000 1.282 32 F CB -0.832 37.833 39.000 -0.560 0.000 1.010 32 F HN 0.078 nan 8.300 nan 0.000 0.485 33 D N -0.792 119.633 120.400 0.042 0.000 2.162 33 D HA -0.105 4.534 4.640 -0.001 0.000 0.205 33 D C 2.230 178.677 176.300 0.245 0.000 0.964 33 D CA 0.969 55.065 54.000 0.159 0.000 0.847 33 D CB -0.550 40.208 40.800 -0.070 0.000 0.988 33 D HN 0.166 nan 8.370 nan 0.000 0.480 34 F N 0.833 120.899 119.950 0.193 0.000 2.250 34 F HA -0.084 4.443 4.527 -0.001 0.000 0.301 34 F C 2.158 178.055 175.800 0.162 0.000 1.077 34 F CA -0.062 58.036 58.000 0.163 0.000 1.348 34 F CB -1.224 37.872 39.000 0.161 0.000 1.040 34 F HN -0.079 nan 8.300 nan 0.000 0.509 35 F N -0.936 119.106 119.950 0.153 0.000 2.236 35 F HA -0.230 4.297 4.527 -0.001 0.000 0.302 35 F C 1.339 176.929 175.800 -0.350 0.000 1.073 35 F CA 1.460 59.385 58.000 -0.125 0.000 1.336 35 F CB -0.434 38.354 39.000 -0.353 0.000 1.040 35 F HN -0.054 nan 8.300 nan 0.000 0.507 36 W N -0.770 120.659 121.300 0.215 0.000 3.316 36 W HA 0.196 4.855 4.660 -0.001 0.000 0.327 36 W C 1.617 178.225 176.519 0.148 0.000 1.232 36 W CA -0.547 56.853 57.345 0.093 0.000 1.805 36 W CB -0.317 29.189 29.460 0.077 0.000 1.090 36 W HN -0.065 nan 8.180 nan 0.000 0.654 37 L N 1.127 122.527 121.223 0.294 0.000 2.051 37 L HA -0.207 4.132 4.340 -0.001 0.000 0.214 37 L C 1.779 178.880 176.870 0.384 0.000 1.076 37 L CA 1.988 56.979 54.840 0.251 0.000 0.758 37 L CB -0.081 41.997 42.059 0.031 0.000 0.890 37 L HN -0.036 nan 8.230 nan 0.000 0.433 38 R N -1.085 119.583 120.500 0.280 0.000 2.609 38 R HA 0.201 4.540 4.340 -0.001 0.000 0.326 38 R C 0.272 176.673 176.300 0.169 0.000 1.090 38 R CA 0.195 56.475 56.100 0.300 0.000 1.072 38 R CB 0.037 30.457 30.300 0.201 0.000 1.330 38 R HN 0.355 nan 8.270 nan 0.000 0.572 39 S N 1.022 116.825 115.700 0.172 0.000 2.601 39 S HA 0.405 4.874 4.470 -0.001 0.000 0.271 39 S C -1.902 172.690 174.600 -0.015 0.000 1.305 39 S CA -1.311 56.953 58.200 0.105 0.000 1.022 39 S CB 1.039 64.391 63.200 0.253 0.000 0.940 39 S HN -0.024 nan 8.310 nan 0.000 0.525 40 P HA 0.453 nan 4.420 nan 0.000 0.277 40 P C -2.783 174.458 177.300 -0.098 0.000 1.271 40 P CA -1.675 61.337 63.100 -0.147 0.000 0.795 40 P CB -1.020 30.448 31.700 -0.385 0.000 1.101 41 P HA 0.297 nan 4.420 nan 0.000 0.274 41 P C -0.395 176.916 177.300 0.019 0.000 1.237 41 P CA 0.020 63.112 63.100 -0.012 0.000 0.793 41 P CB 0.302 32.032 31.700 0.050 0.000 0.977 42 I N 2.201 122.762 120.570 -0.015 0.000 2.359 42 I HA 0.281 4.450 4.170 -0.001 0.000 0.294 42 I C 0.209 176.328 176.117 0.002 0.000 0.987 42 I CA -0.312 60.975 61.300 -0.021 0.000 1.225 42 I CB 0.806 38.742 38.000 -0.107 0.000 1.366 42 I HN 0.160 nan 8.210 nan 0.000 0.466 43 N N 6.166 124.870 118.700 0.008 0.000 2.399 43 N HA 0.410 5.150 4.740 -0.001 0.000 0.280 43 N C -1.293 174.201 175.510 -0.026 0.000 1.008 43 N CA -0.677 52.380 53.050 0.012 0.000 0.894 43 N CB 1.859 40.367 38.487 0.034 0.000 1.273 43 N HN 0.538 nan 8.380 nan 0.000 0.486 44 N N 1.808 120.492 118.700 -0.028 0.000 2.238 44 N HA 0.512 5.252 4.740 -0.001 0.000 0.302 44 N C -0.977 174.463 175.510 -0.117 0.000 1.072 44 N CA -0.386 52.587 53.050 -0.129 0.000 0.792 44 N CB 2.552 40.931 38.487 -0.180 0.000 1.425 44 N HN 0.312 nan 8.380 nan 0.000 0.478 45 L N 1.867 122.923 121.223 -0.278 0.000 2.365 45 L HA 0.557 4.897 4.340 -0.001 0.000 0.273 45 L C -1.129 175.415 176.870 -0.544 0.000 1.000 45 L CA -0.705 53.946 54.840 -0.315 0.000 0.819 45 L CB 1.308 43.173 42.059 -0.323 0.000 1.284 45 L HN 0.413 nan 8.230 nan 0.000 0.418 46 F N 2.702 122.501 119.950 -0.251 0.000 2.427 46 F HA 0.459 4.986 4.527 -0.001 0.000 0.348 46 F C -0.383 175.246 175.800 -0.286 0.000 1.125 46 F CA -0.391 57.492 58.000 -0.195 0.000 0.989 46 F CB 1.154 40.205 39.000 0.085 0.000 1.165 46 F HN 0.134 nan 8.300 nan 0.000 0.442 47 F N 2.957 122.853 119.950 -0.090 0.000 2.420 47 F HA 0.519 5.046 4.527 -0.001 0.000 0.342 47 F C -0.668 174.993 175.800 -0.231 0.000 1.113 47 F CA -1.051 56.913 58.000 -0.059 0.000 1.059 47 F CB 1.024 39.970 39.000 -0.090 0.000 1.128 47 F HN 0.291 nan 8.300 nan 0.000 0.475 48 Y N 0.862 121.365 120.300 0.339 0.000 2.409 48 Y HA 0.398 4.947 4.550 -0.001 0.000 0.343 48 Y C -0.273 175.724 175.900 0.163 0.000 0.973 48 Y CA -1.151 57.128 58.100 0.298 0.000 1.064 48 Y CB 1.549 40.281 38.460 0.453 0.000 1.207 48 Y HN 0.488 nan 8.280 nan 0.000 0.452 49 E N 4.753 125.114 120.200 0.269 0.000 2.200 49 E HA 0.645 4.995 4.350 -0.001 0.000 0.283 49 E C -1.310 175.382 176.600 0.153 0.000 1.015 49 E CA -0.687 55.801 56.400 0.147 0.000 0.819 49 E CB 1.352 31.107 29.700 0.092 0.000 1.081 49 E HN 0.557 nan 8.360 nan 0.000 0.397 50 L N 0.345 121.618 121.223 0.082 0.000 2.735 50 L HA 0.403 4.742 4.340 -0.001 0.000 0.258 50 L C -2.912 173.968 176.870 0.016 0.000 0.920 50 L CA -2.119 52.752 54.840 0.051 0.000 0.958 50 L CB 1.696 43.770 42.059 0.025 0.000 1.499 50 L HN 0.149 nan 8.230 nan 0.000 0.441 51 P HA 0.298 nan 4.420 nan 0.000 0.230 51 P C -0.344 176.960 177.300 0.007 0.000 1.791 51 P CA 0.381 63.490 63.100 0.016 0.000 1.020 51 P CB -0.020 31.692 31.700 0.021 0.000 1.977 52 I N 1.202 121.769 120.570 -0.005 0.000 2.385 52 I HA 0.317 4.486 4.170 -0.001 0.000 0.294 52 I C 0.582 176.703 176.117 0.007 0.000 0.988 52 I CA -0.356 60.942 61.300 -0.004 0.000 1.265 52 I CB 1.489 39.471 38.000 -0.029 0.000 1.388 52 I HN 0.096 nan 8.210 nan 0.000 0.480 53 T N 3.295 117.862 114.554 0.021 0.000 2.847 53 T HA 0.389 4.739 4.350 -0.001 0.000 0.279 53 T C 1.163 175.890 174.700 0.045 0.000 0.984 53 T CA -0.512 61.599 62.100 0.019 0.000 0.988 53 T CB 1.156 70.034 68.868 0.018 0.000 1.040 53 T HN 0.699 nan 8.240 nan 0.000 0.528 54 R N 0.532 121.047 120.500 0.025 0.000 2.081 54 R HA -0.050 4.290 4.340 -0.001 0.000 0.235 54 R C 2.836 179.198 176.300 0.102 0.000 1.131 54 R CA 1.530 57.664 56.100 0.056 0.000 0.960 54 R CB -0.775 29.530 30.300 0.009 0.000 0.856 54 R HN 0.613 nan 8.270 nan 0.000 0.436 55 S N 1.192 116.924 115.700 0.055 0.000 2.356 55 S HA -0.205 4.264 4.470 -0.001 0.000 0.223 55 S C 1.956 176.579 174.600 0.039 0.000 1.032 55 S CA 1.215 59.437 58.200 0.038 0.000 1.005 55 S CB -0.191 63.021 63.200 0.020 0.000 0.867 55 S HN 0.325 nan 8.310 nan 0.000 0.449 56 Q N -0.166 119.663 119.800 0.047 0.000 2.061 56 Q HA -0.136 4.204 4.340 -0.001 0.000 0.204 56 Q C 1.905 177.930 176.000 0.041 0.000 0.984 56 Q CA 1.717 57.542 55.803 0.037 0.000 0.846 56 Q CB -0.300 28.462 28.738 0.040 0.000 0.902 56 Q HN 0.532 nan 8.270 nan 0.000 0.421 57 F N 0.682 120.595 119.950 -0.062 0.000 2.065 57 F HA -0.301 4.226 4.527 -0.001 0.000 0.298 57 F C 2.189 177.939 175.800 -0.082 0.000 1.112 57 F CA 2.067 60.022 58.000 -0.076 0.000 1.212 57 F CB -0.623 38.335 39.000 -0.069 0.000 0.975 57 F HN 0.021 nan 8.300 nan 0.000 0.476 58 T N 0.412 114.959 114.554 -0.012 0.000 2.746 58 T HA -0.163 4.186 4.350 -0.001 0.000 0.267 58 T C 1.704 176.307 174.700 -0.162 0.000 1.039 58 T CA 1.579 63.604 62.100 -0.125 0.000 1.142 58 T CB -0.283 68.573 68.868 -0.019 0.000 0.866 58 T HN 0.314 nan 8.240 nan 0.000 0.444 59 E N 1.223 121.367 120.200 -0.093 0.000 2.072 59 E HA -0.061 4.288 4.350 -0.001 0.000 0.190 59 E C 2.468 179.017 176.600 -0.085 0.000 0.982 59 E CA 1.755 58.110 56.400 -0.075 0.000 0.803 59 E CB -0.624 29.055 29.700 -0.035 0.000 0.755 59 E HN 0.746 nan 8.360 nan 0.000 0.453 60 T N -2.079 112.422 114.554 -0.089 0.000 3.019 60 T HA 0.140 4.489 4.350 -0.001 0.000 0.247 60 T C 2.201 176.849 174.700 -0.087 0.000 0.992 60 T CA 0.333 62.398 62.100 -0.059 0.000 1.036 60 T CB -0.488 68.379 68.868 -0.001 0.000 1.063 60 T HN -0.058 nan 8.240 nan 0.000 0.476 61 V N 2.342 122.151 119.914 -0.175 0.000 2.261 61 V HA -0.147 3.972 4.120 -0.001 0.000 0.246 61 V C 2.863 178.784 176.094 -0.289 0.000 1.047 61 V CA 1.674 63.852 62.300 -0.203 0.000 1.015 61 V CB -0.926 30.654 31.823 -0.405 0.000 0.642 61 V HN 0.356 nan 8.190 nan 0.000 0.446 62 V N 0.835 120.393 119.914 -0.593 0.000 2.231 62 V HA -0.200 3.920 4.120 -0.001 0.000 0.248 62 V C 0.224 176.112 176.094 -0.344 0.000 1.054 62 V CA 2.850 64.704 62.300 -0.744 0.000 1.015 62 V CB -2.176 29.049 31.823 -0.996 0.000 0.638 62 V HN 0.531 nan 8.190 nan 0.000 0.444 63 P HA -0.074 nan 4.420 nan 0.000 0.218 63 P C 1.174 178.508 177.300 0.056 0.000 1.149 63 P CA 1.252 64.308 63.100 -0.074 0.000 0.817 63 P CB -0.170 31.486 31.700 -0.073 0.000 0.785 64 N N -0.263 118.474 118.700 0.061 0.000 2.106 64 N HA -0.093 4.646 4.740 -0.001 0.000 0.188 64 N C 1.782 177.424 175.510 0.219 0.000 1.029 64 N CA 0.952 54.088 53.050 0.142 0.000 0.848 64 N CB -0.808 37.750 38.487 0.119 0.000 1.007 64 N HN 0.054 nan 8.380 nan 0.000 0.423 65 I N 1.801 122.515 120.570 0.240 0.000 2.091 65 I HA -0.286 3.884 4.170 -0.001 0.000 0.239 65 I C 1.972 178.336 176.117 0.411 0.000 1.061 65 I CA 1.406 62.945 61.300 0.397 0.000 1.317 65 I CB -0.939 37.359 38.000 0.498 0.000 1.031 65 I HN 0.205 nan 8.210 nan 0.000 0.401 66 K N -0.577 120.029 120.400 0.343 0.000 2.044 66 K HA -0.263 4.057 4.320 -0.001 0.000 0.210 66 K C 2.284 179.032 176.600 0.247 0.000 1.049 66 K CA 1.720 58.170 56.287 0.272 0.000 0.927 66 K CB -0.427 32.192 32.500 0.197 0.000 0.713 66 K HN 0.294 nan 8.250 nan 0.000 0.443 67 H N 1.036 120.174 119.070 0.114 0.000 2.326 67 H HA -0.051 4.505 4.556 -0.001 0.000 0.301 67 H C 2.104 177.488 175.328 0.093 0.000 1.081 67 H CA 1.898 57.995 56.048 0.081 0.000 1.334 67 H CB -0.281 29.518 29.762 0.062 0.000 1.385 67 H HN 0.211 nan 8.280 nan 0.000 0.504 68 S N 0.085 115.883 115.700 0.164 0.000 2.368 68 S HA -0.134 4.336 4.470 -0.001 0.000 0.224 68 S C 2.271 176.909 174.600 0.062 0.000 1.029 68 S CA 1.185 59.467 58.200 0.136 0.000 0.988 68 S CB -0.794 62.597 63.200 0.318 0.000 0.838 68 S HN 0.325 nan 8.310 nan 0.000 0.462 69 L N 2.158 123.393 121.223 0.020 0.000 2.017 69 L HA 0.016 4.356 4.340 -0.001 0.000 0.208 69 L C 2.619 179.353 176.870 -0.226 0.000 1.073 69 L CA 2.141 56.686 54.840 -0.493 0.000 0.745 69 L CB -1.497 40.301 42.059 -0.435 0.000 0.894 69 L HN 0.422 nan 8.230 nan 0.000 0.432 70 S N -0.399 115.279 115.700 -0.035 0.000 2.378 70 S HA -0.280 4.189 4.470 -0.001 0.000 0.229 70 S C 2.063 176.649 174.600 -0.024 0.000 1.052 70 S CA 2.301 60.512 58.200 0.017 0.000 1.084 70 S CB -0.557 62.715 63.200 0.121 0.000 0.950 70 S HN 0.509 nan 8.310 nan 0.000 0.440 71 I N 0.750 121.299 120.570 -0.035 0.000 2.226 71 I HA -0.167 4.002 4.170 -0.001 0.000 0.245 71 I C 2.578 178.679 176.117 -0.027 0.000 1.100 71 I CA 1.605 62.877 61.300 -0.046 0.000 1.374 71 I CB -0.850 37.108 38.000 -0.070 0.000 1.057 71 I HN 0.345 nan 8.210 nan 0.000 0.413 72 T N 1.479 115.982 114.554 -0.085 0.000 2.699 72 T HA -0.176 4.173 4.350 -0.001 0.000 0.268 72 T C 1.901 176.635 174.700 0.057 0.000 1.036 72 T CA 1.340 63.379 62.100 -0.102 0.000 1.147 72 T CB -0.384 68.177 68.868 -0.512 0.000 0.862 72 T HN 0.272 nan 8.240 nan 0.000 0.446 73 L N 1.178 122.387 121.223 -0.024 0.000 2.201 73 L HA -0.082 4.258 4.340 -0.001 0.000 0.212 73 L C 2.633 179.482 176.870 -0.036 0.000 1.105 73 L CA 1.175 56.031 54.840 0.028 0.000 0.775 73 L CB -0.575 41.479 42.059 -0.009 0.000 0.913 73 L HN 0.428 nan 8.230 nan 0.000 0.440 74 K N -1.026 119.282 120.400 -0.153 0.000 2.362 74 K HA -0.147 4.172 4.320 -0.001 0.000 0.200 74 K C 1.464 177.875 176.600 -0.314 0.000 1.046 74 K CA 1.146 57.265 56.287 -0.279 0.000 0.952 74 K CB -0.192 32.110 32.500 -0.331 0.000 0.753 74 K HN 0.432 nan 8.250 nan 0.000 0.466 75 H N -0.713 118.407 119.070 0.083 0.000 2.595 75 H HA 0.147 4.702 4.556 -0.001 0.000 0.265 75 H C -0.158 175.092 175.328 -0.131 0.000 0.953 75 H CA 0.269 56.337 56.048 0.034 0.000 1.197 75 H CB 0.283 30.105 29.762 0.101 0.000 1.438 75 H HN 0.146 nan 8.280 nan 0.000 0.531 76 F N 1.697 121.726 119.950 0.133 0.000 2.542 76 F HA 0.096 4.622 4.527 -0.001 0.000 0.323 76 F C 1.037 176.803 175.800 -0.057 0.000 1.411 76 F CA -1.071 56.982 58.000 0.088 0.000 1.124 76 F CB -0.117 38.930 39.000 0.078 0.000 1.331 76 F HN 0.016 nan 8.300 nan 0.000 0.560 77 Y N 0.060 120.269 120.300 -0.152 0.000 2.193 77 Y HA -0.075 4.474 4.550 -0.001 0.000 0.285 77 Y C -1.283 174.518 175.900 -0.164 0.000 1.166 77 Y CA 0.935 58.844 58.100 -0.318 0.000 1.181 77 Y CB -2.187 35.974 38.460 -0.498 0.000 0.976 77 Y HN 0.135 nan 8.280 nan 0.000 0.520 78 P HA -0.129 nan 4.420 nan 0.000 0.220 78 P C 1.111 178.382 177.300 -0.049 0.000 1.148 78 P CA 1.428 64.350 63.100 -0.297 0.000 0.803 78 P CB -0.299 31.169 31.700 -0.385 0.000 0.782 79 F N -1.059 118.788 119.950 -0.171 0.000 2.269 79 F HA -0.100 4.427 4.527 -0.001 0.000 0.301 79 F C 2.122 177.871 175.800 -0.085 0.000 1.082 79 F CA 1.159 58.976 58.000 -0.306 0.000 1.360 79 F CB -0.839 37.663 39.000 -0.830 0.000 1.041 79 F HN -0.170 nan 8.300 nan 0.000 0.512 80 V N -0.978 119.026 119.914 0.149 0.000 3.578 80 V HA 0.415 4.535 4.120 -0.001 0.000 0.290 80 V C 1.171 177.435 176.094 0.282 0.000 1.376 80 V CA 0.392 62.819 62.300 0.211 0.000 1.083 80 V CB -0.737 31.196 31.823 0.183 0.000 0.911 80 V HN 0.147 nan 8.190 nan 0.000 0.433 81 G N 0.272 109.199 108.800 0.212 0.000 2.535 81 G HA2 0.424 4.383 3.960 -0.001 0.000 0.282 81 G HA3 0.424 4.383 3.960 -0.001 0.000 0.282 81 G C -0.615 174.338 174.900 0.089 0.000 1.350 81 G CA -0.569 44.651 45.100 0.200 0.000 1.039 81 G HN 0.412 nan 8.290 nan 0.000 0.509 82 K N -1.081 119.346 120.400 0.046 0.000 2.435 82 K HA 0.393 4.712 4.320 -0.001 0.000 0.251 82 K C -1.362 175.204 176.600 -0.056 0.000 0.954 82 K CA -0.886 55.392 56.287 -0.015 0.000 0.820 82 K CB 2.546 35.031 32.500 -0.025 0.000 1.292 82 K HN 0.265 nan 8.250 nan 0.000 0.436 83 L N 2.500 123.649 121.223 -0.123 0.000 2.361 83 L HA 0.210 4.550 4.340 -0.001 0.000 0.278 83 L C -1.112 175.647 176.870 -0.184 0.000 1.113 83 L CA 0.024 54.763 54.840 -0.168 0.000 0.849 83 L CB 0.894 42.770 42.059 -0.306 0.000 1.155 83 L HN 0.276 nan 8.230 nan 0.000 0.452 84 V N 6.387 126.191 119.914 -0.183 0.000 2.357 84 V HA 0.459 4.579 4.120 -0.001 0.000 0.284 84 V C -0.253 175.564 176.094 -0.460 0.000 1.018 84 V CA -0.656 61.457 62.300 -0.312 0.000 0.841 84 V CB 1.474 33.121 31.823 -0.292 0.000 0.991 84 V HN 0.533 nan 8.190 nan 0.000 0.437 85 V N 5.624 125.254 119.914 -0.474 0.000 2.448 85 V HA 0.500 4.620 4.120 -0.001 0.000 0.295 85 V C -0.841 175.007 176.094 -0.410 0.000 1.025 85 V CA -0.800 61.245 62.300 -0.425 0.000 0.859 85 V CB 1.501 33.067 31.823 -0.428 0.000 0.988 85 V HN 0.723 nan 8.190 nan 0.000 0.431 86 Y N 5.900 126.176 120.300 -0.040 0.000 2.352 86 Y HA 0.425 4.974 4.550 -0.001 0.000 0.326 86 Y C -1.244 174.654 175.900 -0.003 0.000 1.166 86 Y CA -2.272 55.820 58.100 -0.013 0.000 1.182 86 Y CB 1.096 39.543 38.460 -0.021 0.000 1.216 86 Y HN 0.418 nan 8.280 nan 0.000 0.474 87 P HA -0.019 nan 4.420 nan 0.000 0.221 87 P C 0.093 177.440 177.300 0.078 0.000 1.155 87 P CA 0.592 63.753 63.100 0.101 0.000 0.812 87 P CB 0.043 31.793 31.700 0.083 0.000 0.801 88 A N 2.051 124.921 122.820 0.083 0.000 2.561 88 A HA 0.144 4.463 4.320 -0.001 0.000 0.251 88 A C -1.311 176.288 177.584 0.025 0.000 1.062 88 A CA -0.558 51.501 52.037 0.038 0.000 0.761 88 A CB -0.686 18.321 19.000 0.011 0.000 0.986 88 A HN 0.105 nan 8.150 nan 0.000 0.510 89 P HA -0.014 nan 4.420 nan 0.000 0.239 89 P C 1.045 178.329 177.300 -0.027 0.000 1.184 89 P CA 1.167 64.260 63.100 -0.012 0.000 0.760 89 P CB 0.367 32.060 31.700 -0.012 0.000 0.884 90 T N -1.995 112.544 114.554 -0.025 0.000 3.034 90 T HA 0.065 4.415 4.350 -0.001 0.000 0.248 90 T C 0.775 175.445 174.700 -0.050 0.000 1.040 90 T CA 0.095 62.174 62.100 -0.034 0.000 1.107 90 T CB 0.041 68.891 68.868 -0.030 0.000 0.932 90 T HN -0.000 nan 8.240 nan 0.000 0.474 91 K N 2.571 122.929 120.400 -0.070 0.000 2.310 91 K HA 0.213 4.532 4.320 -0.001 0.000 0.290 91 K C -0.533 176.065 176.600 -0.003 0.000 1.077 91 K CA -0.204 56.000 56.287 -0.138 0.000 0.922 91 K CB 0.398 32.650 32.500 -0.412 0.000 1.057 91 K HN -0.062 nan 8.250 nan 0.000 0.479 92 K N 4.714 125.124 120.400 0.017 0.000 2.382 92 K HA 0.098 4.418 4.320 -0.001 0.000 0.275 92 K C -2.446 174.297 176.600 0.238 0.000 1.009 92 K CA -1.359 54.960 56.287 0.052 0.000 0.970 92 K CB 0.444 33.035 32.500 0.152 0.000 0.934 92 K HN 0.344 nan 8.250 nan 0.000 0.479 93 P HA -0.006 nan 4.420 nan 0.000 0.269 93 P C -1.083 176.418 177.300 0.335 0.000 1.209 93 P CA -0.007 63.205 63.100 0.187 0.000 0.776 93 P CB 0.603 32.328 31.700 0.043 0.000 0.876 94 E N 1.125 121.452 120.200 0.211 0.000 2.449 94 E HA 0.561 4.911 4.350 -0.001 0.000 0.278 94 E C -1.147 175.507 176.600 0.090 0.000 0.992 94 E CA -0.957 55.554 56.400 0.185 0.000 0.807 94 E CB 1.083 30.911 29.700 0.213 0.000 1.350 94 E HN 0.143 nan 8.360 nan 0.000 0.462 95 I N 1.137 121.757 120.570 0.084 0.000 2.315 95 I HA 0.291 4.460 4.170 -0.001 0.000 0.291 95 I C -0.768 175.407 176.117 0.096 0.000 1.006 95 I CA -0.735 60.599 61.300 0.055 0.000 1.265 95 I CB 1.004 39.023 38.000 0.031 0.000 1.387 95 I HN 0.490 nan 8.210 nan 0.000 0.475 96 C N 6.212 125.562 119.300 0.083 0.000 2.340 96 C HA 0.368 4.828 4.460 -0.001 0.000 0.323 96 C C -0.337 174.736 174.990 0.138 0.000 1.260 96 C CA -0.776 58.306 59.018 0.106 0.000 1.464 96 C CB 0.589 28.364 27.740 0.059 0.000 2.156 96 C HN 0.613 nan 8.230 nan 0.000 0.476 97 Y N 4.320 124.665 120.300 0.075 0.000 2.330 97 Y HA 0.657 5.207 4.550 -0.001 0.000 0.336 97 Y C -0.123 175.787 175.900 0.017 0.000 1.036 97 Y CA -0.555 57.583 58.100 0.062 0.000 1.125 97 Y CB 0.961 39.496 38.460 0.125 0.000 1.194 97 Y HN 0.620 nan 8.280 nan 0.000 0.469 98 V N 2.559 122.008 119.914 -0.775 0.000 2.769 98 V HA 0.515 4.634 4.120 -0.001 0.000 0.312 98 V C -0.495 175.040 176.094 -0.933 0.000 1.061 98 V CA -1.235 60.667 62.300 -0.663 0.000 0.931 98 V CB 1.687 33.339 31.823 -0.286 0.000 1.010 98 V HN 0.841 nan 8.190 nan 0.000 0.433 99 E N 2.237 122.110 120.200 -0.544 0.000 2.529 99 E HA 0.366 4.716 4.350 -0.001 0.000 0.259 99 E C 1.199 177.683 176.600 -0.194 0.000 0.966 99 E CA 1.146 57.380 56.400 -0.277 0.000 0.937 99 E CB 0.524 30.173 29.700 -0.085 0.000 0.923 99 E HN 1.463 nan 8.360 nan 0.000 0.468 100 G N 3.484 112.227 108.800 -0.094 0.000 2.259 100 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.217 100 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.217 100 G C -0.050 174.834 174.900 -0.026 0.000 1.001 100 G CA -0.224 44.850 45.100 -0.043 0.000 0.627 100 G HN 0.575 nan 8.290 nan 0.000 0.501 101 D N 1.749 122.097 120.400 -0.087 0.000 2.472 101 D HA 0.483 5.123 4.640 -0.001 0.000 0.237 101 D C 0.860 177.244 176.300 0.140 0.000 1.141 101 D CA 1.398 55.406 54.000 0.013 0.000 0.875 101 D CB 1.314 42.109 40.800 -0.007 0.000 1.192 101 D HN 0.751 nan 8.370 nan 0.000 0.450 102 S N -0.171 115.600 115.700 0.118 0.000 2.667 102 S HA 0.638 5.108 4.470 -0.001 0.000 0.292 102 S C -0.647 174.029 174.600 0.126 0.000 1.126 102 S CA -0.980 57.296 58.200 0.127 0.000 0.881 102 S CB 1.465 64.719 63.200 0.090 0.000 1.132 102 S HN 0.113 nan 8.310 nan 0.000 0.492 103 V N 1.498 121.489 119.914 0.128 0.000 2.439 103 V HA 0.677 4.797 4.120 -0.001 0.000 0.282 103 V C 0.617 176.742 176.094 0.052 0.000 1.039 103 V CA -0.552 61.819 62.300 0.118 0.000 0.913 103 V CB 1.048 32.987 31.823 0.193 0.000 0.983 103 V HN 1.164 nan 8.190 nan 0.000 0.460 104 A N 5.438 128.264 122.820 0.010 0.000 2.444 104 A HA 0.542 4.862 4.320 -0.001 0.000 0.273 104 A C -0.321 177.219 177.584 -0.074 0.000 1.136 104 A CA -0.090 51.937 52.037 -0.017 0.000 0.799 104 A CB -0.006 18.981 19.000 -0.021 0.000 1.081 104 A HN 0.700 nan 8.150 nan 0.000 0.509 105 V N 3.739 123.613 119.914 -0.066 0.000 2.376 105 V HA 0.458 4.578 4.120 -0.001 0.000 0.287 105 V C 0.528 176.473 176.094 -0.248 0.000 1.015 105 V CA -0.138 62.046 62.300 -0.194 0.000 0.834 105 V CB 1.510 33.220 31.823 -0.188 0.000 1.001 105 V HN 0.995 nan 8.190 nan 0.000 0.428 106 T N 3.814 118.202 114.554 -0.276 0.000 2.829 106 T HA 0.723 5.073 4.350 -0.001 0.000 0.282 106 T C -0.864 173.646 174.700 -0.315 0.000 0.990 106 T CA -0.220 61.773 62.100 -0.178 0.000 1.028 106 T CB 0.547 69.383 68.868 -0.054 0.000 0.951 106 T HN 0.200 nan 8.240 nan 0.000 0.460 107 F N 2.556 122.565 119.950 0.098 0.000 2.458 107 F HA 0.782 5.308 4.527 -0.001 0.000 0.336 107 F C 0.595 176.466 175.800 0.119 0.000 1.114 107 F CA -0.568 57.534 58.000 0.170 0.000 0.987 107 F CB 1.981 41.109 39.000 0.213 0.000 1.130 107 F HN 1.001 nan 8.300 nan 0.000 0.458 108 A N 2.274 125.230 122.820 0.227 0.000 2.567 108 A HA 0.801 5.121 4.320 -0.001 0.000 0.289 108 A C -1.610 175.898 177.584 -0.125 0.000 1.177 108 A CA -0.698 51.361 52.037 0.036 0.000 0.694 108 A CB 2.085 21.074 19.000 -0.019 0.000 1.292 108 A HN 0.707 nan 8.150 nan 0.000 0.425 109 E N -0.780 119.305 120.200 -0.193 0.000 2.308 109 E HA 0.521 4.870 4.350 -0.001 0.000 0.275 109 E C -1.804 174.591 176.600 -0.342 0.000 0.890 109 E CA -0.496 55.711 56.400 -0.323 0.000 0.754 109 E CB 2.121 31.674 29.700 -0.245 0.000 1.207 109 E HN 0.893 nan 8.360 nan 0.000 0.426 110 C N 4.056 123.030 119.300 -0.543 0.000 2.408 110 C HA 0.480 4.939 4.460 -0.001 0.000 0.321 110 C C 0.222 174.960 174.990 -0.419 0.000 1.245 110 C CA -0.495 58.202 59.018 -0.534 0.000 1.523 110 C CB -0.064 27.189 27.740 -0.813 0.000 2.178 110 C HN 0.964 nan 8.230 nan 0.000 0.488 111 N N 3.205 121.775 118.700 -0.218 0.000 2.280 111 N HA 0.201 4.941 4.740 -0.001 0.000 0.192 111 N C -0.264 175.218 175.510 -0.046 0.000 1.109 111 N CA -0.110 52.870 53.050 -0.116 0.000 0.855 111 N CB 0.137 38.572 38.487 -0.087 0.000 0.974 111 N HN 0.588 nan 8.380 nan 0.000 0.482 112 L N 0.746 121.955 121.223 -0.023 0.000 2.417 112 L HA 0.106 4.445 4.340 -0.001 0.000 0.268 112 L C 0.478 177.440 176.870 0.154 0.000 1.158 112 L CA -0.502 54.370 54.840 0.054 0.000 0.819 112 L CB 0.363 42.456 42.059 0.058 0.000 1.112 112 L HN 0.124 nan 8.230 nan 0.000 0.458 113 D N 2.019 122.459 120.400 0.067 0.000 2.382 113 D HA -0.025 4.615 4.640 -0.001 0.000 0.259 113 D C 0.641 176.933 176.300 -0.014 0.000 1.224 113 D CA -0.129 53.894 54.000 0.039 0.000 0.894 113 D CB 1.144 41.939 40.800 -0.009 0.000 1.127 113 D HN 0.373 nan 8.370 nan 0.000 0.487 114 L N 5.234 126.422 121.223 -0.059 0.000 2.083 114 L HA -0.152 4.188 4.340 -0.001 0.000 0.209 114 L C 1.458 178.128 176.870 -0.333 0.000 1.083 114 L CA 1.548 56.160 54.840 -0.379 0.000 0.752 114 L CB -0.610 41.135 42.059 -0.523 0.000 0.899 114 L HN 0.387 nan 8.230 nan 0.000 0.433 115 N N 0.153 118.737 118.700 -0.193 0.000 2.430 115 N HA -0.189 4.551 4.740 -0.001 0.000 0.186 115 N C 1.468 176.887 175.510 -0.152 0.000 1.032 115 N CA 1.135 54.090 53.050 -0.158 0.000 0.893 115 N CB -0.183 38.249 38.487 -0.091 0.000 0.957 115 N HN 0.574 nan 8.380 nan 0.000 0.442 116 E N -0.428 119.682 120.200 -0.150 0.000 2.489 116 E HA 0.150 4.499 4.350 -0.001 0.000 0.193 116 E C 1.242 177.731 176.600 -0.185 0.000 1.057 116 E CA 0.109 56.431 56.400 -0.129 0.000 0.866 116 E CB 0.285 29.928 29.700 -0.095 0.000 0.916 116 E HN 0.317 nan 8.360 nan 0.000 0.500 117 L N -0.827 120.212 121.223 -0.307 0.000 2.609 117 L HA 0.072 4.412 4.340 -0.001 0.000 0.230 117 L C 2.072 178.677 176.870 -0.443 0.000 1.064 117 L CA 0.763 55.357 54.840 -0.410 0.000 0.873 117 L CB 0.387 42.047 42.059 -0.666 0.000 1.139 117 L HN 0.122 nan 8.230 nan 0.000 0.490 118 T N -2.720 111.537 114.554 -0.496 0.000 3.086 118 T HA 0.199 4.549 4.350 -0.001 0.000 0.250 118 T C 1.002 175.557 174.700 -0.242 0.000 1.074 118 T CA 0.138 61.964 62.100 -0.456 0.000 0.988 118 T CB -0.050 68.569 68.868 -0.414 0.000 0.988 118 T HN 0.134 nan 8.240 nan 0.000 0.530 119 G N 1.026 109.707 108.800 -0.198 0.000 2.653 119 G HA2 0.301 4.261 3.960 -0.001 0.000 0.265 119 G HA3 0.301 4.261 3.960 -0.001 0.000 0.265 119 G C 0.460 175.226 174.900 -0.223 0.000 1.237 119 G CA -0.667 44.323 45.100 -0.182 0.000 0.946 119 G HN 0.244 nan 8.290 nan 0.000 0.522 120 N N -1.082 117.403 118.700 -0.358 0.000 2.254 120 N HA 0.073 4.812 4.740 -0.001 0.000 0.190 120 N C 0.286 175.525 175.510 -0.451 0.000 1.107 120 N CA 0.058 52.856 53.050 -0.420 0.000 0.869 120 N CB 0.137 38.349 38.487 -0.458 0.000 0.983 120 N HN 0.458 nan 8.380 nan 0.000 0.487 121 H N 0.661 119.627 119.070 -0.173 0.000 2.509 121 H HA 0.312 4.867 4.556 -0.001 0.000 0.359 121 H C -2.002 173.245 175.328 -0.134 0.000 1.253 121 H CA -1.777 54.175 56.048 -0.159 0.000 1.373 121 H CB -0.202 29.501 29.762 -0.099 0.000 1.555 121 H HN -0.129 nan 8.280 nan 0.000 0.586 122 P HA 0.075 nan 4.420 nan 0.000 0.267 122 P C -0.015 177.300 177.300 0.025 0.000 1.205 122 P CA 0.313 63.416 63.100 0.004 0.000 0.765 122 P CB 0.506 32.219 31.700 0.023 0.000 0.828 123 R N 1.526 122.047 120.500 0.036 0.000 2.707 123 R HA 0.400 4.740 4.340 -0.001 0.000 0.272 123 R C -0.888 175.478 176.300 0.110 0.000 1.011 123 R CA -0.890 55.254 56.100 0.075 0.000 0.893 123 R CB 0.908 31.271 30.300 0.105 0.000 1.233 123 R HN 0.222 nan 8.270 nan 0.000 0.464 124 N N 0.796 119.544 118.700 0.081 0.000 2.359 124 N HA -0.041 4.698 4.740 -0.001 0.000 0.261 124 N C 0.849 176.437 175.510 0.131 0.000 1.267 124 N CA 0.253 53.339 53.050 0.060 0.000 0.864 124 N CB 0.635 39.128 38.487 0.009 0.000 1.063 124 N HN 0.551 nan 8.380 nan 0.000 0.474 125 c N 1.142 119.765 118.600 0.038 0.000 2.411 125 c HA -0.169 4.401 4.570 -0.001 0.000 0.279 125 c C 2.093 176.014 174.090 -0.282 0.000 1.288 125 c CA 0.809 57.109 56.329 -0.049 0.000 1.764 125 c CB -0.817 41.655 42.510 -0.063 0.000 1.974 125 c HN 0.793 nan 8.230 nan 0.000 0.498 126 D N 0.707 120.914 120.400 -0.321 0.000 2.347 126 D HA -0.102 4.537 4.640 -0.001 0.000 0.215 126 D C 1.665 177.749 176.300 -0.360 0.000 0.976 126 D CA 0.786 54.436 54.000 -0.584 0.000 0.884 126 D CB -0.672 40.072 40.800 -0.094 0.000 0.915 126 D HN 0.394 nan 8.370 nan 0.000 0.526 127 K N -0.674 119.603 120.400 -0.206 0.000 2.360 127 K HA -0.034 4.286 4.320 -0.001 0.000 0.201 127 K C 0.951 177.333 176.600 -0.363 0.000 1.046 127 K CA 0.711 56.833 56.287 -0.275 0.000 0.945 127 K CB -0.170 32.108 32.500 -0.371 0.000 0.750 127 K HN 0.244 nan 8.250 nan 0.000 0.464 128 F N -1.381 118.430 119.950 -0.232 0.000 2.714 128 F HA 0.045 4.571 4.527 -0.001 0.000 0.294 128 F C 1.408 177.216 175.800 0.013 0.000 1.120 128 F CA -0.040 57.918 58.000 -0.069 0.000 1.398 128 F CB 0.044 39.009 39.000 -0.059 0.000 1.120 128 F HN -0.072 nan 8.300 nan 0.000 0.589 129 Y N 0.765 121.167 120.300 0.169 0.000 2.224 129 Y HA -0.190 4.359 4.550 -0.001 0.000 0.289 129 Y C 1.647 177.578 175.900 0.052 0.000 1.146 129 Y CA 0.835 58.986 58.100 0.086 0.000 1.182 129 Y CB -1.402 37.086 38.460 0.046 0.000 0.983 129 Y HN 0.180 nan 8.280 nan 0.000 0.524 130 D N -0.877 119.629 120.400 0.176 0.000 2.352 130 D HA 0.057 4.696 4.640 -0.001 0.000 0.236 130 D C 0.975 177.313 176.300 0.063 0.000 1.148 130 D CA 0.351 54.408 54.000 0.094 0.000 0.844 130 D CB -0.756 40.076 40.800 0.053 0.000 0.933 130 D HN 0.307 nan 8.370 nan 0.000 0.507 131 L N -0.139 121.146 121.223 0.103 0.000 2.590 131 L HA 0.196 4.535 4.340 -0.001 0.000 0.227 131 L C 0.299 177.212 176.870 0.071 0.000 1.099 131 L CA -0.194 54.700 54.840 0.090 0.000 0.872 131 L CB 0.427 42.577 42.059 0.152 0.000 1.088 131 L HN 0.088 nan 8.230 nan 0.000 0.479 132 V N -2.420 117.549 119.914 0.091 0.000 2.555 132 V HA 0.611 4.730 4.120 -0.001 0.000 0.302 132 V C -2.594 173.521 176.094 0.036 0.000 1.038 132 V CA -2.203 60.135 62.300 0.062 0.000 0.887 132 V CB 1.387 33.259 31.823 0.082 0.000 0.991 132 V HN -0.129 nan 8.190 nan 0.000 0.434 133 P HA 0.387 nan 4.420 nan 0.000 0.277 133 P C 0.230 177.525 177.300 -0.008 0.000 1.240 133 P CA -0.454 62.635 63.100 -0.018 0.000 0.798 133 P CB 1.223 32.885 31.700 -0.063 0.000 0.979 134 I N 0.163 120.731 120.570 -0.003 0.000 2.892 134 I HA -0.026 4.143 4.170 -0.001 0.000 0.287 134 I C 1.402 177.525 176.117 0.010 0.000 1.205 134 I CA -0.385 60.920 61.300 0.008 0.000 1.409 134 I CB 0.260 38.267 38.000 0.011 0.000 1.367 134 I HN 0.152 nan 8.210 nan 0.000 0.597 135 L N 4.744 125.989 121.223 0.037 0.000 2.093 135 L HA 0.281 4.621 4.340 -0.001 0.000 0.208 135 L C 0.849 177.753 176.870 0.057 0.000 1.085 135 L CA 1.911 56.784 54.840 0.056 0.000 0.755 135 L CB -0.802 41.327 42.059 0.116 0.000 0.904 135 L HN 1.150 nan 8.230 nan 0.000 0.435 136 G N -0.588 108.251 108.800 0.065 0.000 2.453 136 G HA2 -0.076 3.884 3.960 -0.001 0.000 0.665 136 G HA3 -0.076 3.884 3.960 -0.001 0.000 0.665 136 G C -0.967 173.984 174.900 0.085 0.000 1.411 136 G CA -0.651 44.483 45.100 0.058 0.000 0.889 136 G HN 0.178 nan 8.290 nan 0.000 0.651 137 E N 0.382 120.622 120.200 0.066 0.000 2.392 137 E HA 0.414 4.764 4.350 -0.001 0.000 0.264 137 E C 1.225 177.874 176.600 0.082 0.000 1.024 137 E CA 0.486 56.933 56.400 0.078 0.000 0.903 137 E CB 0.713 30.443 29.700 0.050 0.000 0.963 137 E HN 0.783 nan 8.360 nan 0.000 0.432 138 S N 1.729 117.498 115.700 0.114 0.000 2.617 138 S HA 0.261 4.731 4.470 -0.001 0.000 0.269 138 S C -0.016 174.600 174.600 0.026 0.000 1.292 138 S CA -0.867 57.367 58.200 0.057 0.000 1.010 138 S CB 1.452 64.678 63.200 0.043 0.000 0.944 138 S HN 0.346 nan 8.310 nan 0.000 0.536 139 T N 2.218 116.769 114.554 -0.006 0.000 2.756 139 T HA 0.426 4.775 4.350 -0.001 0.000 0.290 139 T C -0.312 174.378 174.700 -0.016 0.000 0.985 139 T CA -0.495 61.601 62.100 -0.007 0.000 0.955 139 T CB 0.429 69.289 68.868 -0.015 0.000 0.930 139 T HN 0.545 nan 8.240 nan 0.000 0.451 140 R N 3.141 123.639 120.500 -0.004 0.000 2.229 140 R HA 0.612 4.951 4.340 -0.001 0.000 0.332 140 R C -0.410 175.888 176.300 -0.002 0.000 0.989 140 R CA -0.373 55.725 56.100 -0.004 0.000 0.842 140 R CB 0.725 31.029 30.300 0.006 0.000 1.119 140 R HN 0.501 nan 8.270 nan 0.000 0.456 141 L N 0.539 121.759 121.223 -0.004 0.000 2.271 141 L HA 0.380 4.720 4.340 -0.001 0.000 0.265 141 L C 1.614 178.492 176.870 0.013 0.000 1.013 141 L CA -0.636 54.206 54.840 0.003 0.000 0.820 141 L CB 1.819 43.879 42.059 0.002 0.000 1.352 141 L HN 0.691 nan 8.230 nan 0.000 0.443 142 S N -0.396 115.315 115.700 0.019 0.000 2.359 142 S HA -0.194 4.275 4.470 -0.001 0.000 0.224 142 S C 1.000 175.624 174.600 0.038 0.000 1.035 142 S CA 1.551 59.766 58.200 0.024 0.000 1.018 142 S CB -0.395 62.818 63.200 0.022 0.000 0.876 142 S HN 0.862 nan 8.310 nan 0.000 0.448 143 D N 0.707 121.139 120.400 0.054 0.000 2.369 143 D HA 0.170 4.810 4.640 -0.001 0.000 0.211 143 D C 0.838 177.213 176.300 0.125 0.000 1.077 143 D CA 0.268 54.325 54.000 0.095 0.000 0.842 143 D CB -0.452 40.416 40.800 0.112 0.000 0.947 143 D HN 0.706 nan 8.370 nan 0.000 0.509 144 C N -1.522 117.802 119.300 0.040 0.000 3.253 144 C HA 0.673 5.132 4.460 -0.001 0.000 0.342 144 C C -1.188 173.761 174.990 -0.068 0.000 1.306 144 C CA -1.455 57.526 59.018 -0.061 0.000 1.207 144 C CB 0.474 28.080 27.740 -0.223 0.000 1.479 144 C HN 0.223 nan 8.230 nan 0.000 0.469 145 I N 1.567 122.078 120.570 -0.097 0.000 2.441 145 I HA 0.605 4.775 4.170 -0.001 0.000 0.295 145 I C -0.675 175.365 176.117 -0.127 0.000 0.994 145 I CA -0.466 60.790 61.300 -0.073 0.000 1.144 145 I CB 1.464 39.452 38.000 -0.021 0.000 1.314 145 I HN 0.841 nan 8.210 nan 0.000 0.445 146 K N 8.027 128.361 120.400 -0.109 0.000 2.292 146 K HA 0.611 4.930 4.320 -0.001 0.000 0.257 146 K C -1.311 175.221 176.600 -0.114 0.000 0.940 146 K CA -0.514 55.702 56.287 -0.118 0.000 0.811 146 K CB 2.393 34.843 32.500 -0.084 0.000 1.120 146 K HN 0.487 nan 8.250 nan 0.000 0.428 147 I N 4.133 124.617 120.570 -0.143 0.000 2.436 147 I HA 0.296 4.466 4.170 -0.001 0.000 0.289 147 I C -2.371 173.701 176.117 -0.075 0.000 1.010 147 I CA -2.763 58.454 61.300 -0.138 0.000 1.098 147 I CB 1.964 39.802 38.000 -0.271 0.000 1.266 147 I HN 0.281 nan 8.210 nan 0.000 0.434 148 P HA 0.096 nan 4.420 nan 0.000 0.267 148 P C 0.262 177.588 177.300 0.044 0.000 1.200 148 P CA 0.095 63.213 63.100 0.031 0.000 0.772 148 P CB 0.719 32.451 31.700 0.054 0.000 0.855 149 L N 1.099 122.352 121.223 0.050 0.000 2.638 149 L HA 0.361 4.701 4.340 -0.001 0.000 0.232 149 L C 0.212 177.147 176.870 0.109 0.000 1.099 149 L CA 0.268 55.135 54.840 0.046 0.000 0.883 149 L CB 0.141 42.165 42.059 -0.058 0.000 1.136 149 L HN 0.333 nan 8.230 nan 0.000 0.492 150 F N 0.442 120.352 119.950 -0.066 0.000 2.651 150 F HA 0.430 4.956 4.527 -0.001 0.000 0.327 150 F C -0.716 175.088 175.800 0.006 0.000 1.133 150 F CA -0.885 57.077 58.000 -0.063 0.000 1.076 150 F CB 1.238 40.150 39.000 -0.145 0.000 1.315 150 F HN -0.122 nan 8.300 nan 0.000 0.499 151 S N 4.184 119.531 115.700 -0.589 0.000 2.627 151 S HA 0.977 5.446 4.470 -0.001 0.000 0.283 151 S C -1.950 172.286 174.600 -0.606 0.000 1.127 151 S CA -0.744 57.145 58.200 -0.519 0.000 0.863 151 S CB 2.089 65.168 63.200 -0.201 0.000 1.121 151 S HN 0.691 nan 8.310 nan 0.000 0.479 152 V N 1.180 120.868 119.914 -0.376 0.000 2.841 152 V HA 0.659 4.778 4.120 -0.001 0.000 0.310 152 V C -0.959 175.034 176.094 -0.168 0.000 1.090 152 V CA -0.550 61.614 62.300 -0.227 0.000 0.930 152 V CB 1.792 33.545 31.823 -0.115 0.000 1.014 152 V HN 1.008 nan 8.190 nan 0.000 0.425 153 Q N 2.282 122.020 119.800 -0.105 0.000 2.304 153 Q HA 0.728 5.067 4.340 -0.001 0.000 0.270 153 Q C -2.111 173.852 176.000 -0.061 0.000 1.035 153 Q CA -0.467 55.266 55.803 -0.116 0.000 0.781 153 Q CB 2.413 31.116 28.738 -0.057 0.000 1.261 153 Q HN 0.593 nan 8.270 nan 0.000 0.444 154 V N 3.343 123.205 119.914 -0.088 0.000 2.384 154 V HA 0.507 4.626 4.120 -0.001 0.000 0.287 154 V C -0.527 175.699 176.094 0.221 0.000 1.020 154 V CA -0.446 61.922 62.300 0.114 0.000 0.850 154 V CB 1.689 33.640 31.823 0.215 0.000 0.987 154 V HN 0.844 nan 8.190 nan 0.000 0.436 155 T N 6.029 120.665 114.554 0.137 0.000 2.809 155 T HA 0.523 4.872 4.350 -0.001 0.000 0.284 155 T C -0.534 174.047 174.700 -0.199 0.000 0.992 155 T CA -0.346 61.722 62.100 -0.054 0.000 0.957 155 T CB 1.499 70.312 68.868 -0.091 0.000 0.942 155 T HN 0.477 nan 8.240 nan 0.000 0.439 156 L N 3.655 124.502 121.223 -0.626 0.000 2.331 156 L HA 0.567 4.906 4.340 -0.001 0.000 0.278 156 L C -1.213 175.359 176.870 -0.497 0.000 1.106 156 L CA -0.130 54.284 54.840 -0.711 0.000 0.824 156 L CB -0.056 41.205 42.059 -1.330 0.000 1.142 156 L HN 0.573 nan 8.230 nan 0.000 0.443 157 F N 6.335 126.159 119.950 -0.210 0.000 2.291 157 F HA 0.420 4.947 4.527 -0.000 0.000 0.368 157 F C -1.861 173.866 175.800 -0.122 0.000 1.085 157 F CA -2.034 55.892 58.000 -0.123 0.000 1.165 157 F CB 0.484 39.454 39.000 -0.050 0.000 1.429 157 F HN 0.444 nan 8.300 nan 0.000 0.503 158 P HA -0.064 nan 4.420 nan 0.000 0.260 158 P C -0.184 177.118 177.300 0.003 0.000 1.172 158 P CA 0.899 63.970 63.100 -0.048 0.000 0.760 158 P CB 0.141 31.802 31.700 -0.066 0.000 0.773 159 N N 0.728 119.428 118.700 0.001 0.000 2.828 159 N HA -0.263 4.477 4.740 -0.001 0.000 0.248 159 N C 0.630 176.155 175.510 0.023 0.000 1.044 159 N CA 0.824 53.881 53.050 0.011 0.000 0.851 159 N CB -1.121 37.370 38.487 0.008 0.000 1.136 159 N HN 0.602 nan 8.380 nan 0.000 0.572 160 Q N -1.308 118.519 119.800 0.044 0.000 2.586 160 Q HA 0.397 4.736 4.340 -0.001 0.000 0.243 160 Q C 1.037 177.063 176.000 0.043 0.000 0.846 160 Q CA 0.693 56.523 55.803 0.046 0.000 0.959 160 Q CB 1.489 30.265 28.738 0.064 0.000 1.227 160 Q HN 0.346 nan 8.270 nan 0.000 0.611 161 G N 0.303 109.153 108.800 0.083 0.000 2.360 161 G HA2 0.394 4.354 3.960 -0.001 0.000 0.276 161 G HA3 0.394 4.354 3.960 -0.001 0.000 0.276 161 G C -1.931 173.059 174.900 0.149 0.000 1.256 161 G CA -0.870 44.274 45.100 0.073 0.000 0.890 161 G HN 0.041 nan 8.290 nan 0.000 0.486 162 I N 0.450 121.125 120.570 0.177 0.000 2.656 162 I HA 0.635 4.804 4.170 -0.001 0.000 0.292 162 I C -0.048 176.295 176.117 0.376 0.000 1.144 162 I CA -0.987 60.438 61.300 0.209 0.000 1.038 162 I CB 2.360 40.264 38.000 -0.160 0.000 1.244 162 I HN 0.867 nan 8.210 nan 0.000 0.420 163 A N 7.182 130.228 122.820 0.376 0.000 2.303 163 A HA 0.808 5.127 4.320 -0.001 0.000 0.320 163 A C -0.671 177.010 177.584 0.163 0.000 1.192 163 A CA -0.455 51.684 52.037 0.170 0.000 0.821 163 A CB 0.604 19.612 19.000 0.014 0.000 1.188 163 A HN 0.644 nan 8.150 nan 0.000 0.492 164 I N 2.725 123.418 120.570 0.206 0.000 2.315 164 I HA 0.427 4.596 4.170 -0.001 0.000 0.291 164 I C 0.835 177.051 176.117 0.166 0.000 1.006 164 I CA -0.255 61.141 61.300 0.160 0.000 1.265 164 I CB 1.692 39.732 38.000 0.067 0.000 1.387 164 I HN 0.697 nan 8.210 nan 0.000 0.475 165 G N 7.358 116.216 108.800 0.095 0.000 2.368 165 G HA2 0.717 4.676 3.960 -0.001 0.000 0.320 165 G HA3 0.717 4.676 3.960 -0.001 0.000 0.320 165 G C -0.764 174.197 174.900 0.101 0.000 1.158 165 G CA -0.375 44.772 45.100 0.079 0.000 0.912 165 G HN 0.521 nan 8.290 nan 0.000 0.456 166 I N 1.891 122.552 120.570 0.153 0.000 2.410 166 I HA 0.294 4.463 4.170 -0.001 0.000 0.286 166 I C -0.226 175.940 176.117 0.082 0.000 1.009 166 I CA -0.394 60.998 61.300 0.153 0.000 1.111 166 I CB 2.457 40.703 38.000 0.411 0.000 1.262 166 I HN 0.286 nan 8.210 nan 0.000 0.443 167 T N 6.213 120.755 114.554 -0.021 0.000 2.797 167 T HA 0.476 4.826 4.350 -0.001 0.000 0.279 167 T C -0.582 174.129 174.700 0.019 0.000 0.991 167 T CA -0.782 61.317 62.100 -0.001 0.000 0.979 167 T CB 0.947 69.805 68.868 -0.016 0.000 0.943 167 T HN 0.711 nan 8.240 nan 0.000 0.444 168 N N 1.181 119.915 118.700 0.057 0.000 2.525 168 N HA 0.194 4.933 4.740 -0.001 0.000 0.270 168 N C -1.488 174.050 175.510 0.046 0.000 1.321 168 N CA -0.732 52.365 53.050 0.078 0.000 0.797 168 N CB 1.400 39.938 38.487 0.084 0.000 1.529 168 N HN 0.493 nan 8.380 nan 0.000 0.491 169 H N 0.394 119.459 119.070 -0.009 0.000 2.548 169 H HA 0.073 4.629 4.556 -0.001 0.000 0.331 169 H C 0.680 175.995 175.328 -0.021 0.000 1.093 169 H CA 0.234 56.297 56.048 0.026 0.000 1.367 169 H CB 0.824 30.618 29.762 0.053 0.000 1.455 169 H HN 0.654 nan 8.280 nan 0.000 0.519 170 H N 3.719 122.685 119.070 -0.173 0.000 2.456 170 H HA -0.109 4.446 4.556 -0.001 0.000 0.296 170 H C 1.805 177.116 175.328 -0.028 0.000 1.079 170 H CA 1.268 57.174 56.048 -0.236 0.000 1.322 170 H CB -0.066 29.383 29.762 -0.522 0.000 1.388 170 H HN 0.540 nan 8.280 nan 0.000 0.538 171 C N 0.339 119.941 119.300 0.505 0.000 2.419 171 C HA -0.105 4.355 4.460 -0.001 0.000 0.283 171 C C 2.886 177.969 174.990 0.154 0.000 1.373 171 C CA 0.474 59.715 59.018 0.372 0.000 1.781 171 C CB -1.233 26.698 27.740 0.318 0.000 1.886 171 C HN 0.465 nan 8.230 nan 0.000 0.520 172 L N 0.951 122.207 121.223 0.054 0.000 2.046 172 L HA 0.217 4.556 4.340 -0.001 0.000 0.208 172 L C 1.033 177.790 176.870 -0.188 0.000 1.077 172 L CA 2.399 57.169 54.840 -0.117 0.000 0.747 172 L CB -0.678 41.182 42.059 -0.331 0.000 0.896 172 L HN 0.433 nan 8.230 nan 0.000 0.432 173 G N -1.981 106.703 108.800 -0.195 0.000 2.313 173 G HA2 0.331 4.291 3.960 -0.001 0.000 0.296 173 G HA3 0.331 4.291 3.960 -0.001 0.000 0.296 173 G C -1.840 172.929 174.900 -0.219 0.000 1.356 173 G CA -0.159 44.791 45.100 -0.250 0.000 0.833 173 G HN 0.327 nan 8.290 nan 0.000 0.552 174 D N -0.615 119.695 120.400 -0.151 0.000 2.539 174 D HA 0.650 5.290 4.640 -0.001 0.000 0.280 174 D C 1.765 178.022 176.300 -0.071 0.000 1.208 174 D CA 0.317 54.239 54.000 -0.130 0.000 1.088 174 D CB 0.395 41.202 40.800 0.011 0.000 1.149 174 D HN 0.857 nan 8.370 nan 0.000 0.596 175 A N -0.340 122.486 122.820 0.010 0.000 1.933 175 A HA -0.134 4.185 4.320 -0.001 0.000 0.218 175 A C 2.144 179.890 177.584 0.270 0.000 1.175 175 A CA 1.894 54.038 52.037 0.177 0.000 0.628 175 A CB -1.127 17.998 19.000 0.209 0.000 0.814 175 A HN 0.440 nan 8.150 nan 0.000 0.444 176 S N -0.413 115.369 115.700 0.135 0.000 2.368 176 S HA -0.137 4.333 4.470 -0.001 0.000 0.225 176 S C 2.034 176.743 174.600 0.182 0.000 1.030 176 S CA 1.830 60.113 58.200 0.137 0.000 0.999 176 S CB -0.528 62.708 63.200 0.059 0.000 0.844 176 S HN 0.708 nan 8.310 nan 0.000 0.459 177 T N 2.001 116.597 114.554 0.069 0.000 2.777 177 T HA -0.029 4.321 4.350 -0.001 0.000 0.266 177 T C 1.929 176.747 174.700 0.196 0.000 1.040 177 T CA 0.959 63.052 62.100 -0.012 0.000 1.141 177 T CB -0.133 68.532 68.868 -0.337 0.000 0.868 177 T HN 0.336 nan 8.240 nan 0.000 0.444 178 R N -0.136 120.525 120.500 0.268 0.000 2.075 178 R HA -0.016 4.324 4.340 -0.001 0.000 0.232 178 R C 2.227 178.816 176.300 0.482 0.000 1.126 178 R CA 1.274 57.628 56.100 0.423 0.000 0.963 178 R CB -0.562 29.967 30.300 0.383 0.000 0.858 178 R HN 0.352 nan 8.270 nan 0.000 0.435 179 F N 1.093 121.241 119.950 0.330 0.000 2.091 179 F HA -0.334 4.192 4.527 -0.001 0.000 0.299 179 F C 2.544 178.354 175.800 0.017 0.000 1.103 179 F CA 1.688 59.735 58.000 0.077 0.000 1.228 179 F CB -0.729 38.150 39.000 -0.201 0.000 0.984 179 F HN 0.080 nan 8.300 nan 0.000 0.477 180 C N 0.216 119.546 119.300 0.050 0.000 2.446 180 C HA -0.182 4.278 4.460 -0.001 0.000 0.277 180 C C 2.716 177.626 174.990 -0.134 0.000 1.275 180 C CA 1.018 60.033 59.018 -0.005 0.000 1.727 180 C CB -1.983 25.900 27.740 0.237 0.000 2.010 180 C HN 0.614 nan 8.230 nan 0.000 0.486 181 F N 1.435 121.140 119.950 -0.409 0.000 2.069 181 F HA -0.072 4.454 4.527 -0.001 0.000 0.298 181 F C 2.008 177.365 175.800 -0.737 0.000 1.113 181 F CA 2.026 59.347 58.000 -1.131 0.000 1.214 181 F CB -0.577 37.621 39.000 -1.337 0.000 0.978 181 F HN 0.174 nan 8.300 nan 0.000 0.474 182 L N 0.056 121.032 121.223 -0.411 0.000 2.093 182 L HA -0.210 4.129 4.340 -0.001 0.000 0.208 182 L C 2.552 179.046 176.870 -0.625 0.000 1.085 182 L CA 1.300 55.883 54.840 -0.428 0.000 0.755 182 L CB -0.672 41.321 42.059 -0.110 0.000 0.904 182 L HN 0.082 nan 8.230 nan 0.000 0.435 183 K N 0.000 120.012 120.400 -0.647 0.000 2.020 183 K HA -0.244 4.076 4.320 -0.001 0.000 0.212 183 K C 2.190 178.497 176.600 -0.488 0.000 1.050 183 K CA 1.710 57.644 56.287 -0.589 0.000 0.929 183 K CB -0.285 31.859 32.500 -0.593 0.000 0.714 183 K HN 0.323 nan 8.250 nan 0.000 0.443 184 A N 0.919 123.412 122.820 -0.545 0.000 1.858 184 A HA -0.204 4.115 4.320 -0.001 0.000 0.216 184 A C 1.908 179.115 177.584 -0.629 0.000 1.190 184 A CA 1.456 53.069 52.037 -0.706 0.000 0.617 184 A CB -0.988 17.403 19.000 -1.015 0.000 0.827 184 A HN 0.594 nan 8.150 nan 0.000 0.443 185 W N 2.042 122.758 121.300 -0.974 0.000 2.335 185 W HA -0.218 4.442 4.660 -0.000 0.000 0.311 185 W C 2.560 178.708 176.519 -0.619 0.000 1.213 185 W CA 2.984 59.848 57.345 -0.802 0.000 1.274 185 W CB -1.135 27.745 29.460 -0.967 0.000 1.148 185 W HN 0.479 nan 8.180 nan 0.000 0.498 186 T N -2.212 111.868 114.554 -0.790 0.000 2.746 186 T HA -0.215 4.135 4.350 -0.001 0.000 0.267 186 T C 2.169 176.544 174.700 -0.541 0.000 1.039 186 T CA 2.082 63.590 62.100 -0.987 0.000 1.142 186 T CB -1.127 67.049 68.868 -1.152 0.000 0.866 186 T HN 0.156 nan 8.240 nan 0.000 0.444 187 S N 1.221 116.681 115.700 -0.400 0.000 2.359 187 S HA -0.061 4.409 4.470 -0.001 0.000 0.224 187 S C 2.073 176.570 174.600 -0.172 0.000 1.035 187 S CA 1.232 59.291 58.200 -0.235 0.000 1.018 187 S CB -0.722 62.391 63.200 -0.144 0.000 0.876 187 S HN 0.592 nan 8.310 nan 0.000 0.448 188 I N 1.521 121.986 120.570 -0.175 0.000 2.226 188 I HA -0.154 4.015 4.170 -0.001 0.000 0.245 188 I C 2.832 178.898 176.117 -0.086 0.000 1.100 188 I CA 1.125 62.364 61.300 -0.102 0.000 1.374 188 I CB -0.553 37.391 38.000 -0.093 0.000 1.057 188 I HN 0.419 nan 8.210 nan 0.000 0.413 189 A N 0.603 123.358 122.820 -0.108 0.000 1.855 189 A HA -0.186 4.133 4.320 -0.001 0.000 0.215 189 A C 2.427 179.926 177.584 -0.142 0.000 1.191 189 A CA 1.312 53.291 52.037 -0.098 0.000 0.613 189 A CB -0.601 18.317 19.000 -0.135 0.000 0.829 189 A HN 0.244 nan 8.150 nan 0.000 0.442 190 R N 0.135 120.505 120.500 -0.216 0.000 2.127 190 R HA -0.114 4.226 4.340 -0.001 0.000 0.238 190 R C 1.764 177.999 176.300 -0.108 0.000 1.134 190 R CA 1.584 57.573 56.100 -0.186 0.000 0.975 190 R CB -0.252 29.919 30.300 -0.214 0.000 0.865 190 R HN 0.643 nan 8.270 nan 0.000 0.447 191 S N -1.016 114.629 115.700 -0.092 0.000 2.618 191 S HA 0.171 4.640 4.470 -0.001 0.000 0.242 191 S C 0.697 175.274 174.600 -0.037 0.000 0.972 191 S CA 0.214 58.381 58.200 -0.056 0.000 1.004 191 S CB 0.737 63.908 63.200 -0.048 0.000 0.778 191 S HN 0.461 nan 8.310 nan 0.000 0.459 192 G N 2.152 110.932 108.800 -0.034 0.000 2.256 192 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.272 192 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.272 192 G C 0.019 174.907 174.900 -0.020 0.000 1.076 192 G CA -0.318 44.776 45.100 -0.010 0.000 0.882 192 G HN 0.801 nan 8.290 nan 0.000 0.497 193 N N -0.762 117.904 118.700 -0.057 0.000 2.726 193 N HA -0.177 4.563 4.740 -0.001 0.000 0.253 193 N C -0.346 175.064 175.510 -0.166 0.000 1.059 193 N CA 1.653 54.606 53.050 -0.162 0.000 0.701 193 N CB -1.473 36.846 38.487 -0.281 0.000 0.899 193 N HN 1.087 nan 8.380 nan 0.000 0.548 194 N N 0.671 119.322 118.700 -0.081 0.000 2.369 194 N HA 0.128 4.867 4.740 -0.001 0.000 0.287 194 N C -0.584 174.930 175.510 0.008 0.000 1.067 194 N CA -0.396 52.635 53.050 -0.031 0.000 0.888 194 N CB 1.247 39.727 38.487 -0.012 0.000 1.616 194 N HN 0.024 nan 8.380 nan 0.000 0.482 195 D N 2.357 122.794 120.400 0.060 0.000 2.340 195 D HA -0.068 4.571 4.640 -0.001 0.000 0.217 195 D C 1.142 177.508 176.300 0.110 0.000 1.081 195 D CA 0.040 54.120 54.000 0.132 0.000 0.842 195 D CB 0.144 41.103 40.800 0.266 0.000 0.934 195 D HN 0.807 nan 8.370 nan 0.000 0.511 196 E N 0.893 121.124 120.200 0.052 0.000 2.051 196 E HA -0.242 4.108 4.350 -0.001 0.000 0.192 196 E C 1.612 178.207 176.600 -0.008 0.000 0.991 196 E CA 1.323 57.733 56.400 0.016 0.000 0.799 196 E CB -0.154 29.551 29.700 0.009 0.000 0.748 196 E HN 0.141 nan 8.360 nan 0.000 0.449 197 S N -0.593 115.109 115.700 0.004 0.000 2.402 197 S HA -0.152 4.318 4.470 -0.001 0.000 0.229 197 S C 1.699 176.296 174.600 -0.005 0.000 1.021 197 S CA 1.020 59.213 58.200 -0.011 0.000 0.974 197 S CB -0.603 62.590 63.200 -0.011 0.000 0.800 197 S HN 0.503 nan 8.310 nan 0.000 0.484 198 F N 2.076 121.961 119.950 -0.110 0.000 2.146 198 F HA 0.122 4.648 4.527 -0.001 0.000 0.298 198 F C 1.669 177.380 175.800 -0.149 0.000 1.096 198 F CA 1.338 59.255 58.000 -0.138 0.000 1.275 198 F CB -0.477 38.422 39.000 -0.168 0.000 1.008 198 F HN 0.186 nan 8.300 nan 0.000 0.480 199 L N -0.121 120.862 121.223 -0.400 0.000 2.201 199 L HA -0.101 4.239 4.340 -0.001 0.000 0.212 199 L C 2.599 179.274 176.870 -0.325 0.000 1.105 199 L CA 1.004 55.566 54.840 -0.464 0.000 0.775 199 L CB -0.970 40.965 42.059 -0.205 0.000 0.913 199 L HN 0.303 nan 8.230 nan 0.000 0.440 200 A N -0.489 122.201 122.820 -0.217 0.000 1.924 200 A HA -0.004 4.316 4.320 -0.001 0.000 0.211 200 A C 1.947 179.441 177.584 -0.151 0.000 1.198 200 A CA 0.788 52.736 52.037 -0.149 0.000 0.657 200 A CB -0.068 18.878 19.000 -0.091 0.000 0.852 200 A HN 0.333 nan 8.150 nan 0.000 0.454 201 N N -0.410 118.199 118.700 -0.151 0.000 2.348 201 N HA 0.107 4.847 4.740 -0.001 0.000 0.183 201 N C 0.942 176.372 175.510 -0.132 0.000 1.094 201 N CA 0.749 53.730 53.050 -0.115 0.000 0.885 201 N CB 0.259 38.704 38.487 -0.070 0.000 1.065 201 N HN 0.371 nan 8.380 nan 0.000 0.472 202 G N 0.191 108.863 108.800 -0.213 0.000 2.562 202 G HA2 0.313 4.273 3.960 -0.001 0.000 0.275 202 G HA3 0.313 4.273 3.960 -0.001 0.000 0.275 202 G C -0.446 174.322 174.900 -0.220 0.000 1.196 202 G CA -0.087 44.917 45.100 -0.159 0.000 0.908 202 G HN -0.065 nan 8.290 nan 0.000 0.524 203 T N 1.520 116.060 114.554 -0.024 0.000 2.728 203 T HA 0.335 4.684 4.350 -0.001 0.000 0.296 203 T C 0.506 175.247 174.700 0.068 0.000 0.940 203 T CA -0.152 61.949 62.100 0.001 0.000 1.013 203 T CB 0.533 69.445 68.868 0.072 0.000 0.912 203 T HN 0.365 nan 8.240 nan 0.000 0.484 204 R N 3.805 124.251 120.500 -0.090 0.000 2.410 204 R HA 0.343 4.682 4.340 -0.001 0.000 0.288 204 R C -2.249 173.987 176.300 -0.107 0.000 1.051 204 R CA -1.891 54.158 56.100 -0.086 0.000 1.021 204 R CB 0.351 30.529 30.300 -0.204 0.000 1.032 204 R HN 0.421 nan 8.270 nan 0.000 0.481 205 P HA -0.021 nan 4.420 nan 0.000 0.268 205 P C -0.790 176.177 177.300 -0.554 0.000 1.205 205 P CA 0.057 62.911 63.100 -0.411 0.000 0.771 205 P CB 0.720 31.938 31.700 -0.803 0.000 0.858 206 L N 4.140 125.124 121.223 -0.397 0.000 2.277 206 L HA 0.262 4.601 4.340 -0.001 0.000 0.284 206 L C 0.037 176.723 176.870 -0.308 0.000 1.028 206 L CA -0.704 53.976 54.840 -0.266 0.000 0.835 206 L CB 0.450 42.481 42.059 -0.048 0.000 1.215 206 L HN 0.261 nan 8.230 nan 0.000 0.425 207 Y N 0.705 120.989 120.300 -0.027 0.000 2.466 207 Y HA 0.146 4.696 4.550 -0.001 0.000 0.272 207 Y C 0.540 176.451 175.900 0.019 0.000 1.169 207 Y CA -0.792 57.280 58.100 -0.046 0.000 1.285 207 Y CB -0.159 38.280 38.460 -0.035 0.000 1.078 207 Y HN 0.517 nan 8.280 nan 0.000 0.523 208 D N 1.716 122.212 120.400 0.159 0.000 2.493 208 D HA -0.025 4.614 4.640 -0.001 0.000 0.240 208 D C 0.357 176.777 176.300 0.200 0.000 1.142 208 D CA 0.291 54.383 54.000 0.154 0.000 0.872 208 D CB 0.637 41.510 40.800 0.122 0.000 1.173 208 D HN 0.017 nan 8.370 nan 0.000 0.467 209 R N 3.332 123.939 120.500 0.178 0.000 3.268 209 R HA 0.112 4.452 4.340 -0.001 0.000 0.217 209 R C 1.029 177.437 176.300 0.181 0.000 1.568 209 R CA -0.088 56.136 56.100 0.206 0.000 1.322 209 R CB -0.789 29.603 30.300 0.153 0.000 1.280 209 R HN 0.569 nan 8.270 nan 0.000 0.667 210 I N -2.048 118.659 120.570 0.229 0.000 3.793 210 I HA 0.241 4.411 4.170 -0.001 0.000 0.315 210 I C 0.339 176.491 176.117 0.058 0.000 1.275 210 I CA 0.225 61.597 61.300 0.119 0.000 1.214 210 I CB 0.324 38.391 38.000 0.111 0.000 1.018 210 I HN 0.080 nan 8.210 nan 0.000 0.439 211 I N 3.166 123.795 120.570 0.098 0.000 2.306 211 I HA 0.288 4.458 4.170 -0.001 0.000 0.288 211 I C -0.451 175.741 176.117 0.126 0.000 1.036 211 I CA -0.174 61.209 61.300 0.138 0.000 1.221 211 I CB 0.810 38.909 38.000 0.164 0.000 1.385 211 I HN 0.109 nan 8.210 nan 0.000 0.472 212 K N 7.114 127.455 120.400 -0.098 0.000 2.530 212 K HA 0.402 4.721 4.320 -0.001 0.000 0.230 212 K C -1.432 174.956 176.600 -0.354 0.000 1.002 212 K CA -0.482 55.730 56.287 -0.124 0.000 1.014 212 K CB 0.938 33.371 32.500 -0.111 0.000 1.286 212 K HN 0.421 nan 8.250 nan 0.000 0.480 213 Y N 2.017 122.399 120.300 0.137 0.000 2.584 213 Y HA 0.172 4.722 4.550 -0.001 0.000 0.358 213 Y C -1.751 174.185 175.900 0.059 0.000 1.028 213 Y CA -2.026 56.110 58.100 0.060 0.000 1.148 213 Y CB 0.865 39.314 38.460 -0.019 0.000 1.126 213 Y HN 0.435 nan 8.280 nan 0.000 0.658 214 P HA -0.220 nan 4.420 nan 0.000 0.218 214 P C 1.744 179.115 177.300 0.120 0.000 1.149 214 P CA 1.338 64.527 63.100 0.148 0.000 0.817 214 P CB 0.477 32.236 31.700 0.097 0.000 0.785 215 M N -0.549 119.100 119.600 0.081 0.000 2.086 215 M HA -0.110 4.370 4.480 -0.001 0.000 0.261 215 M C 2.166 178.489 176.300 0.038 0.000 1.067 215 M CA 1.755 57.084 55.300 0.050 0.000 1.116 215 M CB -0.918 31.699 32.600 0.029 0.000 1.348 215 M HN -0.230 nan 8.290 nan 0.000 0.407 216 L N -0.198 121.006 121.223 -0.031 0.000 2.046 216 L HA -0.244 4.095 4.340 -0.001 0.000 0.208 216 L C 2.040 178.968 176.870 0.095 0.000 1.077 216 L CA 1.201 55.942 54.840 -0.164 0.000 0.747 216 L CB -1.123 40.397 42.059 -0.899 0.000 0.896 216 L HN 0.305 nan 8.230 nan 0.000 0.432 217 D N 0.283 120.814 120.400 0.219 0.000 2.127 217 D HA -0.247 4.392 4.640 -0.001 0.000 0.190 217 D C 2.045 178.547 176.300 0.336 0.000 1.000 217 D CA 1.860 56.127 54.000 0.446 0.000 0.839 217 D CB -0.286 40.790 40.800 0.460 0.000 0.955 217 D HN 0.545 nan 8.370 nan 0.000 0.446 218 E N 0.752 121.062 120.200 0.183 0.000 2.150 218 E HA -0.070 4.280 4.350 -0.001 0.000 0.193 218 E C 2.008 178.654 176.600 0.077 0.000 0.985 218 E CA 1.131 57.581 56.400 0.084 0.000 0.814 218 E CB -0.181 29.549 29.700 0.050 0.000 0.752 218 E HN 0.223 nan 8.360 nan 0.000 0.466 219 A N 0.749 123.642 122.820 0.121 0.000 1.929 219 A HA -0.080 4.240 4.320 -0.001 0.000 0.216 219 A C 1.741 179.365 177.584 0.068 0.000 1.176 219 A CA 0.783 52.861 52.037 0.069 0.000 0.628 219 A CB -0.639 18.387 19.000 0.044 0.000 0.816 219 A HN 0.245 nan 8.150 nan 0.000 0.444 220 Y N -0.109 120.224 120.300 0.056 0.000 2.314 220 Y HA 0.005 4.555 4.550 -0.001 0.000 0.293 220 Y C 2.158 178.085 175.900 0.045 0.000 1.129 220 Y CA 0.862 59.024 58.100 0.103 0.000 1.201 220 Y CB -0.272 38.348 38.460 0.266 0.000 0.999 220 Y HN 0.166 nan 8.280 nan 0.000 0.541 221 L N -0.174 121.126 121.223 0.128 0.000 1.994 221 L HA -0.280 4.060 4.340 -0.001 0.000 0.208 221 L C 2.348 179.179 176.870 -0.064 0.000 1.071 221 L CA 1.614 56.403 54.840 -0.085 0.000 0.745 221 L CB -0.490 41.414 42.059 -0.258 0.000 0.892 221 L HN 0.191 nan 8.230 nan 0.000 0.431 222 K N -0.320 120.054 120.400 -0.044 0.000 2.034 222 K HA -0.294 4.026 4.320 -0.001 0.000 0.214 222 K C 2.167 178.730 176.600 -0.062 0.000 1.051 222 K CA 1.826 58.084 56.287 -0.048 0.000 0.931 222 K CB -0.369 32.105 32.500 -0.042 0.000 0.715 222 K HN 0.214 nan 8.250 nan 0.000 0.446 223 R N 0.774 121.222 120.500 -0.087 0.000 2.103 223 R HA -0.163 4.177 4.340 -0.001 0.000 0.242 223 R C 1.766 177.999 176.300 -0.113 0.000 1.142 223 R CA 1.745 57.769 56.100 -0.127 0.000 0.960 223 R CB -0.230 29.945 30.300 -0.210 0.000 0.858 223 R HN 0.226 nan 8.270 nan 0.000 0.439 224 A N 1.686 124.453 122.820 -0.087 0.000 2.276 224 A HA 0.031 4.351 4.320 -0.001 0.000 0.212 224 A C -0.315 177.264 177.584 -0.008 0.000 1.230 224 A CA 0.269 52.267 52.037 -0.064 0.000 0.844 224 A CB -0.361 18.611 19.000 -0.047 0.000 0.860 224 A HN 0.491 nan 8.150 nan 0.000 0.486 225 K N -0.907 119.482 120.400 -0.018 0.000 4.789 225 K HA -0.156 4.163 4.320 -0.001 0.000 0.290 225 K C 0.236 176.869 176.600 0.056 0.000 0.798 225 K CA 0.481 56.774 56.287 0.010 0.000 0.860 225 K CB -2.021 30.486 32.500 0.013 0.000 1.852 225 K HN 0.095 nan 8.250 nan 0.000 0.413 226 V N 1.736 121.656 119.914 0.011 0.000 2.626 226 V HA -0.231 3.888 4.120 -0.001 0.000 0.252 226 V C 2.723 178.866 176.094 0.082 0.000 1.067 226 V CA 2.224 64.532 62.300 0.014 0.000 1.081 226 V CB -0.320 31.446 31.823 -0.095 0.000 0.686 226 V HN 0.832 nan 8.190 nan 0.000 0.468 227 E N 0.433 120.665 120.200 0.054 0.000 2.358 227 E HA -0.108 4.242 4.350 -0.001 0.000 0.195 227 E C 1.791 178.435 176.600 0.074 0.000 1.010 227 E CA 1.315 57.750 56.400 0.058 0.000 0.856 227 E CB -0.286 29.432 29.700 0.030 0.000 0.795 227 E HN 0.698 nan 8.360 nan 0.000 0.504 228 S N -0.723 115.028 115.700 0.086 0.000 2.554 228 S HA 0.123 4.593 4.470 -0.001 0.000 0.226 228 S C 1.301 175.960 174.600 0.099 0.000 0.980 228 S CA -0.632 57.610 58.200 0.070 0.000 0.939 228 S CB -0.666 62.557 63.200 0.037 0.000 0.832 228 S HN 0.196 nan 8.310 nan 0.000 0.486 229 F N 3.835 123.793 119.950 0.012 0.000 2.069 229 F HA -0.104 4.422 4.527 -0.001 0.000 0.298 229 F C 2.082 177.914 175.800 0.054 0.000 1.113 229 F CA 1.971 59.990 58.000 0.032 0.000 1.214 229 F CB -0.822 38.182 39.000 0.007 0.000 0.978 229 F HN 0.376 nan 8.300 nan 0.000 0.474 230 N N 0.365 119.114 118.700 0.082 0.000 2.094 230 N HA -0.290 4.449 4.740 -0.001 0.000 0.191 230 N C 1.899 177.369 175.510 -0.066 0.000 1.023 230 N CA 2.089 55.130 53.050 -0.015 0.000 0.857 230 N CB -0.493 38.027 38.487 0.054 0.000 1.013 230 N HN 0.671 nan 8.380 nan 0.000 0.426 231 E N -1.124 119.054 120.200 -0.037 0.000 2.158 231 E HA -0.136 4.214 4.350 -0.001 0.000 0.191 231 E C 0.604 177.163 176.600 -0.068 0.000 0.982 231 E CA 1.140 57.517 56.400 -0.037 0.000 0.823 231 E CB -0.106 29.585 29.700 -0.015 0.000 0.766 231 E HN 0.398 nan 8.360 nan 0.000 0.468 232 D N 0.293 120.633 120.400 -0.100 0.000 2.249 232 D HA -0.072 4.568 4.640 -0.001 0.000 0.205 232 D C 0.100 176.294 176.300 -0.176 0.000 0.962 232 D CA 0.385 54.315 54.000 -0.117 0.000 0.860 232 D CB -0.339 40.411 40.800 -0.084 0.000 0.955 232 D HN 0.198 nan 8.370 nan 0.000 0.505 233 Y N 2.508 122.552 120.300 -0.426 0.000 2.544 233 Y HA 0.200 4.749 4.550 -0.001 0.000 0.330 233 Y C -0.089 175.671 175.900 -0.233 0.000 1.136 233 Y CA -0.520 57.304 58.100 -0.460 0.000 1.417 233 Y CB 0.370 38.354 38.460 -0.794 0.000 1.229 233 Y HN -0.244 nan 8.280 nan 0.000 0.532 234 V N 2.969 122.366 119.914 -0.863 0.000 3.007 234 V HA 0.596 4.715 4.120 -0.001 0.000 0.311 234 V C -0.085 175.536 176.094 -0.789 0.000 1.120 234 V CA -0.531 61.381 62.300 -0.647 0.000 0.980 234 V CB 1.192 32.827 31.823 -0.312 0.000 1.033 234 V HN 0.891 nan 8.190 nan 0.000 0.429 235 T N 0.583 114.858 114.554 -0.464 0.000 2.855 235 T HA 0.389 4.739 4.350 -0.001 0.000 0.314 235 T C 0.049 174.632 174.700 -0.195 0.000 1.077 235 T CA 0.016 61.952 62.100 -0.272 0.000 1.095 235 T CB 0.800 69.610 68.868 -0.097 0.000 0.987 235 T HN 0.927 nan 8.240 nan 0.000 0.546 236 Q N 0.933 120.665 119.800 -0.113 0.000 2.632 236 Q HA 0.253 4.592 4.340 -0.001 0.000 0.352 236 Q C -0.824 175.205 176.000 0.048 0.000 0.821 236 Q CA -0.313 55.447 55.803 -0.072 0.000 1.060 236 Q CB 1.092 29.734 28.738 -0.160 0.000 1.429 236 Q HN 0.718 nan 8.270 nan 0.000 0.391 237 S N 0.788 116.497 115.700 0.015 0.000 2.565 237 S HA 0.359 4.828 4.470 -0.001 0.000 0.274 237 S C 0.192 174.739 174.600 -0.087 0.000 1.309 237 S CA -0.497 57.700 58.200 -0.005 0.000 1.043 237 S CB 0.873 64.057 63.200 -0.027 0.000 0.939 237 S HN 0.394 nan 8.310 nan 0.000 0.504 238 L N 2.525 123.592 121.223 -0.260 0.000 2.416 238 L HA 0.500 4.840 4.340 -0.001 0.000 0.272 238 L C 0.344 176.847 176.870 -0.611 0.000 1.161 238 L CA -0.096 54.349 54.840 -0.659 0.000 0.845 238 L CB 0.410 41.782 42.059 -1.144 0.000 1.119 238 L HN 0.770 nan 8.230 nan 0.000 0.464 239 A N 2.534 125.048 122.820 -0.509 0.000 2.488 239 A HA 0.719 5.039 4.320 -0.001 0.000 0.298 239 A C -0.103 177.495 177.584 0.023 0.000 1.044 239 A CA -0.129 51.814 52.037 -0.156 0.000 0.693 239 A CB 1.290 20.252 19.000 -0.064 0.000 1.272 239 A HN 0.727 nan 8.150 nan 0.000 0.402 240 G N 1.030 109.977 108.800 0.244 0.000 2.516 240 G HA2 0.625 4.585 3.960 -0.001 0.000 0.276 240 G HA3 0.625 4.585 3.960 -0.001 0.000 0.276 240 G C -1.848 173.116 174.900 0.106 0.000 1.390 240 G CA -0.838 44.398 45.100 0.227 0.000 1.050 240 G HN 0.694 nan 8.290 nan 0.000 0.519 241 P HA 0.473 nan 4.420 nan 0.000 0.276 241 P C -0.871 176.485 177.300 0.093 0.000 1.252 241 P CA -0.264 62.887 63.100 0.086 0.000 0.802 241 P CB 1.804 33.535 31.700 0.052 0.000 1.035 242 S N -0.735 115.018 115.700 0.088 0.000 2.550 242 S HA 0.252 4.721 4.470 -0.001 0.000 0.270 242 S C 0.194 174.827 174.600 0.055 0.000 1.145 242 S CA -0.562 57.688 58.200 0.082 0.000 0.852 242 S CB 1.121 64.397 63.200 0.127 0.000 1.119 242 S HN 0.616 nan 8.310 nan 0.000 0.465 243 D N 2.028 122.456 120.400 0.048 0.000 2.349 243 D HA 0.043 4.683 4.640 -0.001 0.000 0.215 243 D C -0.032 176.290 176.300 0.037 0.000 1.016 243 D CA 0.150 54.173 54.000 0.038 0.000 0.870 243 D CB 0.080 40.902 40.800 0.036 0.000 0.917 243 D HN 0.378 nan 8.370 nan 0.000 0.524 244 K N 0.535 120.960 120.400 0.042 0.000 2.355 244 K HA 0.326 4.645 4.320 -0.001 0.000 0.270 244 K C 0.120 176.733 176.600 0.021 0.000 1.003 244 K CA -0.028 56.280 56.287 0.034 0.000 0.957 244 K CB 1.353 33.879 32.500 0.042 0.000 0.939 244 K HN 0.126 nan 8.250 nan 0.000 0.482 245 L N 1.986 123.216 121.223 0.013 0.000 2.354 245 L HA 0.530 4.870 4.340 -0.001 0.000 0.269 245 L C -0.139 176.715 176.870 -0.027 0.000 1.005 245 L CA -1.004 53.840 54.840 0.006 0.000 0.819 245 L CB 1.919 43.990 42.059 0.019 0.000 1.311 245 L HN 0.553 nan 8.230 nan 0.000 0.423 246 R N 1.851 122.320 120.500 -0.052 0.000 2.494 246 R HA 0.876 5.215 4.340 -0.001 0.000 0.305 246 R C -1.412 174.800 176.300 -0.146 0.000 0.959 246 R CA -0.280 55.739 56.100 -0.134 0.000 0.864 246 R CB 1.905 32.044 30.300 -0.270 0.000 1.159 246 R HN 0.809 nan 8.270 nan 0.000 0.446 247 A N 2.326 125.029 122.820 -0.196 0.000 2.539 247 A HA 0.592 4.912 4.320 -0.001 0.000 0.296 247 A C -1.259 176.029 177.584 -0.494 0.000 1.073 247 A CA -0.683 51.141 52.037 -0.356 0.000 0.700 247 A CB 2.298 21.055 19.000 -0.405 0.000 1.296 247 A HN 0.629 nan 8.150 nan 0.000 0.405 248 T N 1.602 115.769 114.554 -0.645 0.000 2.792 248 T HA 0.626 4.976 4.350 -0.001 0.000 0.280 248 T C -1.164 173.076 174.700 -0.766 0.000 0.990 248 T CA 0.151 61.943 62.100 -0.512 0.000 0.960 248 T CB 0.105 68.800 68.868 -0.288 0.000 0.939 248 T HN 0.330 nan 8.240 nan 0.000 0.439 249 F N 3.087 122.902 119.950 -0.226 0.000 2.458 249 F HA 0.564 5.091 4.527 -0.001 0.000 0.336 249 F C 0.073 175.756 175.800 -0.196 0.000 1.114 249 F CA -1.401 56.339 58.000 -0.433 0.000 0.987 249 F CB 1.058 39.437 39.000 -1.036 0.000 1.130 249 F HN 0.236 nan 8.300 nan 0.000 0.458 250 I N 4.766 125.385 120.570 0.083 0.000 2.339 250 I HA 0.293 4.462 4.170 -0.001 0.000 0.290 250 I C -0.436 175.866 176.117 0.307 0.000 0.994 250 I CA -0.865 60.526 61.300 0.152 0.000 1.191 250 I CB 1.206 39.249 38.000 0.071 0.000 1.343 250 I HN 0.500 nan 8.210 nan 0.000 0.458 251 L N 6.490 127.857 121.223 0.239 0.000 2.283 251 L HA 0.290 4.629 4.340 -0.001 0.000 0.281 251 L C 0.840 177.748 176.870 0.064 0.000 1.033 251 L CA -0.502 54.428 54.840 0.150 0.000 0.848 251 L CB 1.252 43.393 42.059 0.137 0.000 1.226 251 L HN 0.682 nan 8.230 nan 0.000 0.429 252 T N -1.322 113.248 114.554 0.027 0.000 2.860 252 T HA 0.120 4.469 4.350 -0.001 0.000 0.299 252 T C 1.276 175.972 174.700 -0.005 0.000 1.045 252 T CA -0.473 61.631 62.100 0.008 0.000 1.071 252 T CB 1.375 70.240 68.868 -0.004 0.000 0.985 252 T HN 0.583 nan 8.240 nan 0.000 0.537 253 R N 0.819 121.318 120.500 -0.001 0.000 2.103 253 R HA -0.177 4.162 4.340 -0.001 0.000 0.242 253 R C 2.492 178.783 176.300 -0.016 0.000 1.142 253 R CA 1.774 57.873 56.100 -0.002 0.000 0.960 253 R CB -1.139 29.162 30.300 0.001 0.000 0.858 253 R HN 0.881 nan 8.270 nan 0.000 0.439 254 A N 0.137 122.943 122.820 -0.023 0.000 1.858 254 A HA -0.131 4.188 4.320 -0.001 0.000 0.216 254 A C 2.334 179.886 177.584 -0.054 0.000 1.190 254 A CA 1.752 53.769 52.037 -0.033 0.000 0.617 254 A CB -0.708 18.273 19.000 -0.032 0.000 0.827 254 A HN 0.224 nan 8.150 nan 0.000 0.443 255 V N 0.108 119.976 119.914 -0.076 0.000 2.343 255 V HA -0.273 3.847 4.120 -0.001 0.000 0.247 255 V C 2.437 178.449 176.094 -0.136 0.000 1.051 255 V CA 2.069 64.288 62.300 -0.134 0.000 1.036 255 V CB -0.689 31.026 31.823 -0.180 0.000 0.654 255 V HN 0.566 nan 8.190 nan 0.000 0.451 256 I N 0.315 120.834 120.570 -0.085 0.000 2.179 256 I HA -0.238 3.932 4.170 -0.001 0.000 0.242 256 I C 2.400 178.507 176.117 -0.017 0.000 1.088 256 I CA 1.475 62.747 61.300 -0.047 0.000 1.357 256 I CB -0.518 37.481 38.000 -0.002 0.000 1.051 256 I HN 0.343 nan 8.210 nan 0.000 0.409 257 N N 0.590 119.280 118.700 -0.016 0.000 2.104 257 N HA -0.208 4.532 4.740 -0.001 0.000 0.190 257 N C 1.842 177.348 175.510 -0.007 0.000 1.024 257 N CA 1.317 54.364 53.050 -0.005 0.000 0.853 257 N CB -0.324 38.157 38.487 -0.010 0.000 1.008 257 N HN 0.468 nan 8.380 nan 0.000 0.424 258 Q N 0.342 120.123 119.800 -0.032 0.000 2.050 258 Q HA -0.055 4.284 4.340 -0.001 0.000 0.202 258 Q C 2.293 178.285 176.000 -0.013 0.000 0.980 258 Q CA 0.901 56.682 55.803 -0.036 0.000 0.840 258 Q CB -0.238 28.458 28.738 -0.071 0.000 0.898 258 Q HN 0.378 nan 8.270 nan 0.000 0.424 259 L N 0.763 121.962 121.223 -0.040 0.000 2.042 259 L HA -0.231 4.108 4.340 -0.001 0.000 0.210 259 L C 2.606 179.633 176.870 0.262 0.000 1.076 259 L CA 1.321 56.195 54.840 0.058 0.000 0.749 259 L CB -0.448 41.555 42.059 -0.094 0.000 0.893 259 L HN 0.185 nan 8.230 nan 0.000 0.432 260 K N -0.115 120.373 120.400 0.146 0.000 2.097 260 K HA -0.197 4.123 4.320 -0.001 0.000 0.206 260 K C 1.669 178.310 176.600 0.068 0.000 1.049 260 K CA 1.598 57.950 56.287 0.108 0.000 0.933 260 K CB 0.032 32.570 32.500 0.062 0.000 0.717 260 K HN 0.263 nan 8.250 nan 0.000 0.442 261 D N 0.109 120.540 120.400 0.052 0.000 2.117 261 D HA -0.144 4.496 4.640 -0.001 0.000 0.198 261 D C 1.974 178.299 176.300 0.041 0.000 0.982 261 D CA 0.893 54.912 54.000 0.031 0.000 0.828 261 D CB -0.075 40.735 40.800 0.016 0.000 0.967 261 D HN 0.101 nan 8.370 nan 0.000 0.464 262 R N 0.896 121.442 120.500 0.076 0.000 2.083 262 R HA -0.107 4.232 4.340 -0.001 0.000 0.237 262 R C 2.097 178.435 176.300 0.064 0.000 1.137 262 R CA 1.066 57.224 56.100 0.096 0.000 0.951 262 R CB -0.721 29.684 30.300 0.176 0.000 0.851 262 R HN 0.013 nan 8.270 nan 0.000 0.434 263 V N 0.751 120.698 119.914 0.055 0.000 2.261 263 V HA -0.244 3.876 4.120 -0.001 0.000 0.246 263 V C 2.335 178.410 176.094 -0.032 0.000 1.047 263 V CA 2.057 64.326 62.300 -0.052 0.000 1.015 263 V CB -0.504 31.259 31.823 -0.100 0.000 0.642 263 V HN 0.306 nan 8.190 nan 0.000 0.446 264 L N 0.077 121.295 121.223 -0.009 0.000 2.083 264 L HA -0.152 4.187 4.340 -0.001 0.000 0.209 264 L C 2.685 179.548 176.870 -0.013 0.000 1.083 264 L CA 1.523 56.355 54.840 -0.013 0.000 0.752 264 L CB -0.798 41.256 42.059 -0.008 0.000 0.899 264 L HN 0.357 nan 8.230 nan 0.000 0.433 265 A N -0.544 122.273 122.820 -0.005 0.000 1.873 265 A HA -0.201 4.119 4.320 -0.001 0.000 0.215 265 A C 2.250 179.827 177.584 -0.011 0.000 1.186 265 A CA 1.333 53.367 52.037 -0.006 0.000 0.616 265 A CB -0.365 18.636 19.000 0.002 0.000 0.823 265 A HN 0.460 nan 8.150 nan 0.000 0.442 266 Q N -1.057 118.734 119.800 -0.015 0.000 2.187 266 Q HA 0.139 4.478 4.340 -0.001 0.000 0.199 266 Q C -0.098 175.883 176.000 -0.033 0.000 0.957 266 Q CA 0.574 56.363 55.803 -0.023 0.000 0.857 266 Q CB 0.040 28.761 28.738 -0.028 0.000 0.929 266 Q HN 0.554 nan 8.270 nan 0.000 0.453 267 L N 2.009 123.209 121.223 -0.038 0.000 2.556 267 L HA 0.238 4.577 4.340 -0.001 0.000 0.243 267 L C -1.841 175.010 176.870 -0.032 0.000 1.331 267 L CA -1.191 53.625 54.840 -0.040 0.000 0.927 267 L CB 1.087 43.113 42.059 -0.055 0.000 1.219 267 L HN -0.064 nan 8.230 nan 0.000 0.490 268 P HA -0.104 nan 4.420 nan 0.000 0.225 268 P C 1.013 178.297 177.300 -0.026 0.000 1.148 268 P CA 1.092 64.178 63.100 -0.023 0.000 0.779 268 P CB 0.078 31.767 31.700 -0.019 0.000 0.780 269 T N -4.120 110.416 114.554 -0.029 0.000 3.129 269 T HA 0.217 4.566 4.350 -0.001 0.000 0.267 269 T C 0.459 175.133 174.700 -0.043 0.000 1.018 269 T CA -0.589 61.490 62.100 -0.035 0.000 0.903 269 T CB -0.599 68.250 68.868 -0.032 0.000 1.067 269 T HN -0.149 nan 8.240 nan 0.000 0.549 270 L N 3.098 124.300 121.223 -0.036 0.000 2.615 270 L HA 0.184 4.524 4.340 -0.001 0.000 0.271 270 L C 1.273 178.123 176.870 -0.032 0.000 1.183 270 L CA 0.396 55.218 54.840 -0.029 0.000 0.933 270 L CB -0.002 42.047 42.059 -0.017 0.000 1.199 270 L HN 0.193 nan 8.230 nan 0.000 0.487 271 E N 4.314 124.475 120.200 -0.064 0.000 2.208 271 E HA -0.170 4.180 4.350 -0.001 0.000 0.193 271 E C -0.510 176.118 176.600 0.046 0.000 0.988 271 E CA 0.977 57.311 56.400 -0.109 0.000 0.828 271 E CB 0.101 29.536 29.700 -0.442 0.000 0.763 271 E HN 0.658 nan 8.360 nan 0.000 0.478 272 Y N 0.233 120.536 120.300 0.005 0.000 2.329 272 Y HA 0.288 4.837 4.550 -0.001 0.000 0.328 272 Y C -1.243 174.689 175.900 0.053 0.000 0.992 272 Y CA -0.787 57.357 58.100 0.073 0.000 1.151 272 Y CB 1.396 39.944 38.460 0.148 0.000 1.150 272 Y HN -0.372 nan 8.280 nan 0.000 0.450 273 V N 5.282 125.178 119.914 -0.030 0.000 2.612 273 V HA 0.583 4.703 4.120 -0.001 0.000 0.301 273 V C -0.862 175.207 176.094 -0.042 0.000 1.059 273 V CA -0.572 61.758 62.300 0.051 0.000 0.886 273 V CB 1.574 33.398 31.823 0.002 0.000 1.007 273 V HN 0.775 nan 8.190 nan 0.000 0.426 274 S N 2.257 118.034 115.700 0.127 0.000 2.661 274 S HA 0.528 4.997 4.470 -0.001 0.000 0.285 274 S C 0.849 175.533 174.600 0.141 0.000 1.138 274 S CA -0.052 58.218 58.200 0.118 0.000 0.855 274 S CB 1.903 65.249 63.200 0.244 0.000 1.136 274 S HN 0.445 nan 8.310 nan 0.000 0.484 275 S N 0.227 116.002 115.700 0.125 0.000 2.387 275 S HA -0.071 4.398 4.470 -0.001 0.000 0.230 275 S C 1.246 175.935 174.600 0.149 0.000 1.035 275 S CA 1.710 59.982 58.200 0.120 0.000 1.014 275 S CB -0.762 62.502 63.200 0.107 0.000 0.836 275 S HN 0.629 nan 8.310 nan 0.000 0.466 276 F N 2.792 122.768 119.950 0.042 0.000 2.113 276 F HA -0.162 4.364 4.527 -0.001 0.000 0.297 276 F C 2.769 178.551 175.800 -0.030 0.000 1.103 276 F CA 1.841 59.838 58.000 -0.005 0.000 1.248 276 F CB -1.003 37.963 39.000 -0.056 0.000 0.999 276 F HN 0.303 nan 8.300 nan 0.000 0.475 277 T N -2.186 112.396 114.554 0.046 0.000 2.833 277 T HA -0.136 4.213 4.350 -0.001 0.000 0.269 277 T C 2.026 176.707 174.700 -0.033 0.000 1.054 277 T CA 1.477 63.551 62.100 -0.043 0.000 1.135 277 T CB -1.211 67.756 68.868 0.164 0.000 0.869 277 T HN 0.138 nan 8.240 nan 0.000 0.466 278 V N 1.972 121.919 119.914 0.055 0.000 2.358 278 V HA -0.007 4.113 4.120 -0.001 0.000 0.246 278 V C 3.251 179.452 176.094 0.178 0.000 1.047 278 V CA 1.516 63.916 62.300 0.167 0.000 1.035 278 V CB -1.362 30.575 31.823 0.189 0.000 0.658 278 V HN 0.693 nan 8.190 nan 0.000 0.452 279 A N -0.904 121.937 122.820 0.035 0.000 1.883 279 A HA -0.278 4.042 4.320 -0.001 0.000 0.217 279 A C 2.377 179.954 177.584 -0.012 0.000 1.186 279 A CA 2.334 54.388 52.037 0.027 0.000 0.624 279 A CB -1.208 17.770 19.000 -0.036 0.000 0.822 279 A HN 0.591 nan 8.150 nan 0.000 0.444 280 C N -1.045 118.103 119.300 -0.252 0.000 2.413 280 C HA 0.013 4.473 4.460 -0.001 0.000 0.276 280 C C 3.340 178.155 174.990 -0.293 0.000 1.236 280 C CA 0.847 59.671 59.018 -0.323 0.000 1.735 280 C CB -1.452 26.011 27.740 -0.462 0.000 2.031 280 C HN 0.709 nan 8.230 nan 0.000 0.474 281 A N -0.775 122.001 122.820 -0.072 0.000 1.883 281 A HA -0.247 4.072 4.320 -0.001 0.000 0.217 281 A C 2.016 179.746 177.584 0.242 0.000 1.186 281 A CA 1.959 54.047 52.037 0.085 0.000 0.624 281 A CB -1.038 18.006 19.000 0.073 0.000 0.822 281 A HN 0.670 nan 8.150 nan 0.000 0.444 282 Y N -0.445 119.994 120.300 0.232 0.000 2.145 282 Y HA -0.168 4.382 4.550 0.000 0.000 0.286 282 Y C 2.066 177.984 175.900 0.031 0.000 1.145 282 Y CA 1.908 60.047 58.100 0.065 0.000 1.148 282 Y CB -0.254 38.095 38.460 -0.186 0.000 0.981 282 Y HN 0.272 nan 8.280 nan 0.000 0.507 283 I N -0.820 119.807 120.570 0.095 0.000 2.353 283 I HA -0.238 3.932 4.170 -0.001 0.000 0.248 283 I C 2.084 178.294 176.117 0.156 0.000 1.119 283 I CA 1.135 62.526 61.300 0.152 0.000 1.417 283 I CB -0.609 37.587 38.000 0.328 0.000 1.078 283 I HN 0.481 nan 8.210 nan 0.000 0.421 284 W N 0.637 121.791 121.300 -0.242 0.000 2.338 284 W HA -0.232 4.427 4.660 -0.001 0.000 0.304 284 W C 2.851 179.293 176.519 -0.129 0.000 1.212 284 W CA 1.682 58.879 57.345 -0.246 0.000 1.264 284 W CB -1.188 27.892 29.460 -0.633 0.000 1.142 284 W HN 0.219 nan 8.180 nan 0.000 0.512 285 S N -0.705 114.934 115.700 -0.101 0.000 2.368 285 S HA -0.219 4.250 4.470 -0.001 0.000 0.225 285 S C 2.050 176.495 174.600 -0.258 0.000 1.030 285 S CA 2.002 60.051 58.200 -0.252 0.000 0.999 285 S CB -0.939 62.111 63.200 -0.250 0.000 0.844 285 S HN 0.298 nan 8.310 nan 0.000 0.459 286 C N 1.012 120.104 119.300 -0.346 0.000 2.429 286 C HA 0.008 4.468 4.460 -0.001 0.000 0.277 286 C C 2.417 177.337 174.990 -0.117 0.000 1.262 286 C CA 0.609 59.390 59.018 -0.396 0.000 1.733 286 C CB -1.506 25.842 27.740 -0.652 0.000 2.010 286 C HN 0.628 nan 8.230 nan 0.000 0.483 287 I N 1.496 122.174 120.570 0.180 0.000 2.226 287 I HA -0.215 3.954 4.170 -0.001 0.000 0.245 287 I C 2.758 178.999 176.117 0.208 0.000 1.100 287 I CA 1.553 63.069 61.300 0.360 0.000 1.374 287 I CB -0.566 37.721 38.000 0.478 0.000 1.057 287 I HN 0.286 nan 8.210 nan 0.000 0.413 288 A N 0.742 123.622 122.820 0.101 0.000 1.865 288 A HA -0.301 4.019 4.320 -0.001 0.000 0.217 288 A C 2.378 179.957 177.584 -0.008 0.000 1.191 288 A CA 2.169 54.210 52.037 0.005 0.000 0.623 288 A CB -0.651 18.251 19.000 -0.163 0.000 0.826 288 A HN 0.343 nan 8.150 nan 0.000 0.444 289 K N -0.366 120.001 120.400 -0.055 0.000 2.152 289 K HA -0.143 4.177 4.320 -0.001 0.000 0.206 289 K C 2.303 178.903 176.600 -0.000 0.000 1.048 289 K CA 1.515 57.772 56.287 -0.052 0.000 0.933 289 K CB -0.157 32.281 32.500 -0.104 0.000 0.721 289 K HN 0.511 nan 8.250 nan 0.000 0.447 290 S N 0.048 115.776 115.700 0.047 0.000 2.387 290 S HA -0.032 4.438 4.470 -0.001 0.000 0.226 290 S C 1.917 176.590 174.600 0.122 0.000 1.026 290 S CA 0.503 58.777 58.200 0.124 0.000 0.972 290 S CB -0.041 63.336 63.200 0.296 0.000 0.814 290 S HN 0.286 nan 8.310 nan 0.000 0.477 291 R N 1.008 121.580 120.500 0.119 0.000 2.100 291 R HA 0.147 4.487 4.340 -0.001 0.000 0.220 291 R C 0.735 177.078 176.300 0.072 0.000 1.091 291 R CA 0.755 56.918 56.100 0.105 0.000 0.986 291 R CB -1.211 29.164 30.300 0.125 0.000 0.888 291 R HN 0.576 nan 8.270 nan 0.000 0.444 292 N N 1.744 120.476 118.700 0.052 0.000 2.727 292 N HA -0.156 4.583 4.740 -0.001 0.000 0.249 292 N C -0.530 175.002 175.510 0.036 0.000 1.048 292 N CA 0.954 54.023 53.050 0.031 0.000 0.714 292 N CB -0.679 37.824 38.487 0.026 0.000 0.959 292 N HN 0.463 nan 8.380 nan 0.000 0.544 293 D N -1.268 119.161 120.400 0.048 0.000 2.415 293 D HA 0.290 4.929 4.640 -0.001 0.000 0.265 293 D C 0.822 177.149 176.300 0.045 0.000 1.206 293 D CA -0.017 54.015 54.000 0.054 0.000 1.113 293 D CB 0.175 41.020 40.800 0.075 0.000 1.192 293 D HN 0.300 nan 8.370 nan 0.000 0.586 294 K N -1.742 118.691 120.400 0.055 0.000 2.309 294 K HA 0.306 4.626 4.320 -0.001 0.000 0.210 294 K C -0.148 176.485 176.600 0.056 0.000 1.114 294 K CA -0.240 56.075 56.287 0.046 0.000 0.912 294 K CB 0.608 33.134 32.500 0.043 0.000 1.198 294 K HN 0.118 nan 8.250 nan 0.000 0.471 295 L N 1.679 122.951 121.223 0.083 0.000 2.436 295 L HA 0.318 4.657 4.340 -0.001 0.000 0.268 295 L C -1.869 175.101 176.870 0.168 0.000 0.974 295 L CA -0.284 54.621 54.840 0.108 0.000 0.826 295 L CB 2.067 44.182 42.059 0.093 0.000 1.291 295 L HN 0.056 nan 8.230 nan 0.000 0.406 296 Q N 4.519 124.468 119.800 0.248 0.000 2.375 296 Q HA 0.552 4.891 4.340 -0.001 0.000 0.271 296 Q C -1.570 174.717 176.000 0.479 0.000 1.074 296 Q CA -0.815 55.225 55.803 0.395 0.000 0.808 296 Q CB 3.337 32.430 28.738 0.591 0.000 1.327 296 Q HN 0.683 nan 8.270 nan 0.000 0.441 297 L N 2.464 123.884 121.223 0.329 0.000 2.329 297 L HA 0.666 5.005 4.340 -0.001 0.000 0.279 297 L C -1.696 175.169 176.870 -0.008 0.000 1.014 297 L CA -0.730 54.224 54.840 0.190 0.000 0.814 297 L CB 1.101 43.247 42.059 0.144 0.000 1.257 297 L HN 0.639 nan 8.230 nan 0.000 0.424 298 F N 3.997 123.602 119.950 -0.575 0.000 2.539 298 F HA 0.806 5.332 4.527 -0.001 0.000 0.318 298 F C -0.130 175.356 175.800 -0.523 0.000 1.135 298 F CA -0.184 57.334 58.000 -0.804 0.000 0.915 298 F CB 1.852 39.682 39.000 -1.949 0.000 1.176 298 F HN 0.512 nan 8.300 nan 0.000 0.440 299 G N 3.735 112.143 108.800 -0.655 0.000 2.727 299 G HA2 0.722 4.681 3.960 -0.001 0.000 0.289 299 G HA3 0.722 4.681 3.960 -0.001 0.000 0.289 299 G C -2.065 171.972 174.900 -1.439 0.000 1.418 299 G CA -0.761 43.768 45.100 -0.951 0.000 0.818 299 G HN 0.827 nan 8.290 nan 0.000 0.486 300 F N -2.028 116.954 119.950 -1.613 0.000 2.703 300 F HA 0.756 5.283 4.527 -0.000 0.000 0.308 300 F C -2.992 172.508 175.800 -0.500 0.000 1.126 300 F CA -2.489 54.919 58.000 -0.987 0.000 0.959 300 F CB 1.281 40.163 39.000 -0.197 0.000 1.297 300 F HN 0.456 nan 8.300 nan 0.000 0.441 301 P HA 0.561 nan 4.420 nan 0.000 0.279 301 P C -0.968 176.491 177.300 0.266 0.000 1.252 301 P CA -0.264 63.024 63.100 0.313 0.000 0.811 301 P CB 2.263 34.212 31.700 0.415 0.000 1.035 302 I N 0.796 121.501 120.570 0.226 0.000 2.466 302 I HA 0.215 4.385 4.170 -0.001 0.000 0.289 302 I C 0.050 176.231 176.117 0.107 0.000 1.026 302 I CA -0.779 60.630 61.300 0.181 0.000 1.078 302 I CB 1.732 39.886 38.000 0.256 0.000 1.249 302 I HN 0.211 nan 8.210 nan 0.000 0.429 303 D N 5.397 125.823 120.400 0.042 0.000 2.382 303 D HA 0.099 4.738 4.640 -0.001 0.000 0.259 303 D C 0.878 177.146 176.300 -0.052 0.000 1.224 303 D CA 0.417 54.402 54.000 -0.025 0.000 0.894 303 D CB 0.914 41.693 40.800 -0.036 0.000 1.127 303 D HN 0.406 nan 8.370 nan 0.000 0.487 304 R N 2.906 123.307 120.500 -0.164 0.000 2.300 304 R HA 0.148 4.488 4.340 -0.001 0.000 0.199 304 R C 1.952 178.125 176.300 -0.212 0.000 0.920 304 R CA -0.124 55.832 56.100 -0.241 0.000 1.046 304 R CB 0.376 30.417 30.300 -0.432 0.000 0.984 304 R HN 0.403 nan 8.270 nan 0.000 0.493 305 R N 0.752 121.137 120.500 -0.192 0.000 2.112 305 R HA -0.182 4.158 4.340 -0.001 0.000 0.242 305 R C 2.060 178.303 176.300 -0.095 0.000 1.137 305 R CA 2.111 58.114 56.100 -0.163 0.000 0.944 305 R CB -0.368 29.870 30.300 -0.104 0.000 0.857 305 R HN 0.152 nan 8.270 nan 0.000 0.435 306 A N 0.417 123.206 122.820 -0.053 0.000 2.167 306 A HA -0.019 4.300 4.320 -0.001 0.000 0.214 306 A C 1.595 179.179 177.584 0.000 0.000 1.151 306 A CA 0.713 52.740 52.037 -0.017 0.000 0.735 306 A CB 0.049 19.048 19.000 -0.002 0.000 0.802 306 A HN 0.124 nan 8.150 nan 0.000 0.467 307 R N -0.988 119.506 120.500 -0.010 0.000 2.308 307 R HA 0.255 4.594 4.340 -0.001 0.000 0.202 307 R C 0.178 176.479 176.300 0.001 0.000 0.898 307 R CA -0.093 56.027 56.100 0.032 0.000 1.046 307 R CB -0.308 30.054 30.300 0.103 0.000 1.026 307 R HN 0.393 nan 8.270 nan 0.000 0.512 308 M N 1.475 121.048 119.600 -0.045 0.000 2.240 308 M HA 0.049 4.528 4.480 -0.001 0.000 0.317 308 M C 0.320 176.638 176.300 0.030 0.000 1.087 308 M CA 0.542 55.831 55.300 -0.018 0.000 1.176 308 M CB 0.238 32.821 32.600 -0.028 0.000 1.439 308 M HN -0.365 nan 8.290 nan 0.000 0.452 309 K N 3.049 123.488 120.400 0.066 0.000 2.473 309 K HA 0.453 4.772 4.320 -0.001 0.000 0.246 309 K C -2.104 174.552 176.600 0.093 0.000 1.011 309 K CA -1.329 55.002 56.287 0.074 0.000 0.984 309 K CB 0.299 32.845 32.500 0.077 0.000 1.250 309 K HN 0.495 nan 8.250 nan 0.000 0.454 310 P HA 0.437 nan 4.420 nan 0.000 0.278 310 P C -2.712 174.604 177.300 0.027 0.000 1.266 310 P CA -1.652 61.472 63.100 0.040 0.000 0.807 310 P CB 0.002 31.720 31.700 0.030 0.000 1.094 311 P HA 0.090 nan 4.420 nan 0.000 0.269 311 P C -0.362 176.926 177.300 -0.020 0.000 1.217 311 P CA 0.228 63.326 63.100 -0.004 0.000 0.783 311 P CB 0.208 31.909 31.700 0.002 0.000 0.898 312 I N 2.931 123.470 120.570 -0.053 0.000 2.378 312 I HA 0.323 4.493 4.170 -0.001 0.000 0.291 312 I C -2.143 173.958 176.117 -0.026 0.000 0.992 312 I CA -3.515 57.735 61.300 -0.083 0.000 1.154 312 I CB 0.632 38.491 38.000 -0.234 0.000 1.315 312 I HN 0.159 nan 8.210 nan 0.000 0.448 313 P HA 0.113 nan 4.420 nan 0.000 0.267 313 P C 0.933 178.274 177.300 0.069 0.000 1.200 313 P CA 0.090 63.218 63.100 0.046 0.000 0.772 313 P CB 0.468 32.205 31.700 0.062 0.000 0.855 314 T N 1.394 115.979 114.554 0.051 0.000 2.849 314 T HA -0.186 4.163 4.350 -0.001 0.000 0.270 314 T C 1.654 176.411 174.700 0.095 0.000 1.066 314 T CA 1.848 63.984 62.100 0.060 0.000 1.130 314 T CB -0.482 68.414 68.868 0.046 0.000 0.864 314 T HN 0.496 nan 8.240 nan 0.000 0.481 315 A N 0.286 123.159 122.820 0.089 0.000 2.168 315 A HA 0.117 4.436 4.320 -0.001 0.000 0.215 315 A C 0.830 178.465 177.584 0.085 0.000 1.152 315 A CA -0.142 51.942 52.037 0.078 0.000 0.716 315 A CB -0.828 18.190 19.000 0.030 0.000 0.794 315 A HN 0.577 nan 8.150 nan 0.000 0.465 316 Y N -0.076 120.229 120.300 0.008 0.000 2.944 316 Y HA 0.087 4.636 4.550 -0.001 0.000 0.340 316 Y C -0.252 175.678 175.900 0.050 0.000 1.275 316 Y CA -0.161 57.951 58.100 0.020 0.000 1.590 316 Y CB -0.217 38.241 38.460 -0.004 0.000 1.218 316 Y HN 0.239 nan 8.280 nan 0.000 0.576 317 F N 6.673 126.177 119.950 -0.743 0.000 2.411 317 F HA 0.575 5.101 4.527 -0.001 0.000 0.355 317 F C 0.521 175.965 175.800 -0.594 0.000 1.117 317 F CA 0.868 58.581 58.000 -0.477 0.000 1.139 317 F CB 0.356 39.156 39.000 -0.334 0.000 1.120 317 F HN 0.827 nan 8.300 nan 0.000 0.493 318 G N 4.796 113.253 108.800 -0.572 0.000 2.270 318 G HA2 -0.104 3.855 3.960 -0.001 0.000 0.268 318 G HA3 -0.104 3.855 3.960 -0.001 0.000 0.268 318 G C -1.659 173.201 174.900 -0.067 0.000 1.312 318 G CA -1.173 43.783 45.100 -0.240 0.000 1.050 318 G HN 0.583 nan 8.290 nan 0.000 0.474 319 N N -0.348 118.398 118.700 0.078 0.000 2.455 319 N HA 0.474 5.214 4.740 -0.001 0.000 0.280 319 N C -0.983 174.453 175.510 -0.124 0.000 1.055 319 N CA 0.269 53.372 53.050 0.089 0.000 0.961 319 N CB 1.618 40.279 38.487 0.290 0.000 1.121 319 N HN 0.816 nan 8.380 nan 0.000 0.476 320 C N 3.504 122.590 119.300 -0.356 0.000 3.493 320 C HA 0.338 4.797 4.460 -0.001 0.000 0.228 320 C C -0.742 173.829 174.990 -0.699 0.000 1.227 320 C CA -0.464 57.932 59.018 -1.037 0.000 1.291 320 C CB -1.581 25.699 27.740 -0.768 0.000 1.820 320 C HN 0.504 nan 8.230 nan 0.000 0.547 321 V N 1.591 121.215 119.914 -0.483 0.000 2.789 321 V HA 1.070 5.190 4.120 -0.001 0.000 0.311 321 V C 0.244 176.381 176.094 0.070 0.000 1.073 321 V CA 0.232 62.491 62.300 -0.069 0.000 0.921 321 V CB 1.444 33.374 31.823 0.178 0.000 1.009 321 V HN 0.681 nan 8.190 nan 0.000 0.426 322 G N 1.211 110.087 108.800 0.127 0.000 3.175 322 G HA2 0.925 4.885 3.960 -0.001 0.000 0.255 322 G HA3 0.925 4.885 3.960 -0.001 0.000 0.255 322 G C -0.308 174.751 174.900 0.265 0.000 1.352 322 G CA -0.587 44.645 45.100 0.219 0.000 1.037 322 G HN 1.575 nan 8.290 nan 0.000 0.556 323 G N -2.308 106.648 108.800 0.260 0.000 2.718 323 G HA2 0.506 4.465 3.960 -0.001 0.000 0.295 323 G HA3 0.506 4.465 3.960 -0.001 0.000 0.295 323 G C -1.780 173.117 174.900 -0.005 0.000 1.421 323 G CA -0.237 45.004 45.100 0.236 0.000 0.902 323 G HN 1.130 nan 8.290 nan 0.000 0.501 324 C N 0.799 119.854 119.300 -0.407 0.000 2.535 324 C HA 0.933 5.393 4.460 -0.001 0.000 0.319 324 C C 0.156 174.760 174.990 -0.643 0.000 1.171 324 C CA 0.325 59.016 59.018 -0.544 0.000 1.394 324 C CB 0.236 27.514 27.740 -0.769 0.000 1.990 324 C HN 1.376 nan 8.230 nan 0.000 0.466 325 A N 3.668 126.339 122.820 -0.249 0.000 2.454 325 A HA 0.995 5.315 4.320 -0.001 0.000 0.302 325 A C -0.766 176.794 177.584 -0.039 0.000 1.079 325 A CA -0.045 51.916 52.037 -0.127 0.000 0.731 325 A CB 1.533 20.590 19.000 0.096 0.000 1.299 325 A HN 2.016 nan 8.150 nan 0.000 0.413 326 A N 0.992 123.802 122.820 -0.017 0.000 2.414 326 A HA 0.802 5.122 4.320 -0.001 0.000 0.306 326 A C -1.078 176.635 177.584 0.215 0.000 1.054 326 A CA -0.358 51.749 52.037 0.116 0.000 0.724 326 A CB 0.832 19.954 19.000 0.204 0.000 1.267 326 A HN 0.766 nan 8.150 nan 0.000 0.418 327 I N 1.234 121.998 120.570 0.323 0.000 2.498 327 I HA 0.685 4.854 4.170 -0.001 0.000 0.290 327 I C 0.201 176.531 176.117 0.354 0.000 1.032 327 I CA -0.267 61.253 61.300 0.366 0.000 1.073 327 I CB 2.172 40.298 38.000 0.210 0.000 1.251 327 I HN 0.814 nan 8.210 nan 0.000 0.426 328 A N 5.360 128.390 122.820 0.352 0.000 2.539 328 A HA 0.617 4.936 4.320 -0.001 0.000 0.296 328 A C -0.950 176.667 177.584 0.054 0.000 1.073 328 A CA -0.878 51.221 52.037 0.103 0.000 0.700 328 A CB 1.379 20.314 19.000 -0.108 0.000 1.296 328 A HN 0.621 nan 8.150 nan 0.000 0.405 329 K N 0.988 121.393 120.400 0.008 0.000 2.484 329 K HA 0.134 4.454 4.320 -0.001 0.000 0.280 329 K C 0.824 177.389 176.600 -0.058 0.000 1.013 329 K CA 0.499 56.783 56.287 -0.004 0.000 1.029 329 K CB 0.437 32.930 32.500 -0.012 0.000 0.902 329 K HN 0.736 nan 8.250 nan 0.000 0.481 330 T N 1.733 116.268 114.554 -0.031 0.000 2.759 330 T HA -0.195 4.155 4.350 -0.001 0.000 0.269 330 T C 1.652 176.296 174.700 -0.093 0.000 1.042 330 T CA 1.795 63.856 62.100 -0.065 0.000 1.140 330 T CB -0.256 68.608 68.868 -0.006 0.000 0.864 330 T HN 0.726 nan 8.240 nan 0.000 0.455 331 N N 1.965 120.627 118.700 -0.063 0.000 2.364 331 N HA -0.092 4.647 4.740 -0.001 0.000 0.183 331 N C 1.681 177.139 175.510 -0.087 0.000 1.022 331 N CA 0.937 53.949 53.050 -0.063 0.000 0.883 331 N CB -0.599 37.865 38.487 -0.039 0.000 0.965 331 N HN 0.401 nan 8.380 nan 0.000 0.438 332 L N -0.058 121.101 121.223 -0.108 0.000 2.478 332 L HA 0.107 4.447 4.340 -0.001 0.000 0.223 332 L C 1.733 178.485 176.870 -0.197 0.000 1.140 332 L CA 0.385 55.146 54.840 -0.131 0.000 0.842 332 L CB -0.106 41.881 42.059 -0.120 0.000 0.953 332 L HN 0.114 nan 8.230 nan 0.000 0.452 333 L N -0.776 120.296 121.223 -0.252 0.000 2.616 333 L HA 0.215 4.554 4.340 -0.001 0.000 0.229 333 L C 0.723 177.445 176.870 -0.247 0.000 1.110 333 L CA -0.114 54.514 54.840 -0.353 0.000 0.884 333 L CB 0.407 42.109 42.059 -0.595 0.000 1.115 333 L HN 0.074 nan 8.230 nan 0.000 0.481 334 I N 0.710 121.177 120.570 -0.171 0.000 2.441 334 I HA 0.423 4.592 4.170 -0.001 0.000 0.287 334 I C 1.022 177.078 176.117 -0.102 0.000 1.049 334 I CA 0.203 61.424 61.300 -0.131 0.000 1.381 334 I CB 0.601 38.543 38.000 -0.096 0.000 1.409 334 I HN 0.206 nan 8.210 nan 0.000 0.523 335 G N 5.296 114.036 108.800 -0.100 0.000 2.660 335 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.247 335 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.247 335 G C 0.302 175.188 174.900 -0.022 0.000 1.328 335 G CA -0.350 44.711 45.100 -0.066 0.000 0.884 335 G HN 0.626 nan 8.290 nan 0.000 0.531 336 K N -0.009 120.393 120.400 0.004 0.000 2.097 336 K HA -0.082 4.237 4.320 -0.001 0.000 0.206 336 K C 2.245 178.908 176.600 0.105 0.000 1.049 336 K CA 1.793 58.121 56.287 0.069 0.000 0.933 336 K CB -0.113 32.412 32.500 0.041 0.000 0.717 336 K HN 0.468 nan 8.250 nan 0.000 0.442 337 E N -0.182 120.035 120.200 0.028 0.000 2.152 337 E HA -0.076 4.273 4.350 -0.001 0.000 0.192 337 E C 2.128 178.702 176.600 -0.043 0.000 0.983 337 E CA 0.875 57.271 56.400 -0.007 0.000 0.818 337 E CB -0.247 29.436 29.700 -0.029 0.000 0.758 337 E HN 0.434 nan 8.360 nan 0.000 0.467 338 G N 0.878 109.649 108.800 -0.049 0.000 2.422 338 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.218 338 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.218 338 G C 1.471 176.308 174.900 -0.105 0.000 1.146 338 G CA 0.660 45.692 45.100 -0.114 0.000 0.769 338 G HN 0.328 nan 8.290 nan 0.000 0.547 339 F N 1.819 121.678 119.950 -0.152 0.000 2.171 339 F HA -0.048 4.479 4.527 -0.000 0.000 0.300 339 F C 2.309 178.068 175.800 -0.069 0.000 1.090 339 F CA 0.814 58.747 58.000 -0.111 0.000 1.293 339 F CB -0.080 38.897 39.000 -0.039 0.000 1.013 339 F HN 0.039 nan 8.300 nan 0.000 0.486 340 I N 0.476 120.777 120.570 -0.449 0.000 2.179 340 I HA -0.249 3.921 4.170 -0.001 0.000 0.242 340 I C 2.301 178.227 176.117 -0.319 0.000 1.088 340 I CA 1.794 62.803 61.300 -0.487 0.000 1.357 340 I CB -2.089 35.781 38.000 -0.217 0.000 1.051 340 I HN 0.179 nan 8.210 nan 0.000 0.409 341 T N 1.666 116.088 114.554 -0.220 0.000 2.746 341 T HA -0.113 4.237 4.350 -0.001 0.000 0.267 341 T C 2.152 176.745 174.700 -0.178 0.000 1.039 341 T CA 1.609 63.605 62.100 -0.174 0.000 1.142 341 T CB -0.401 68.368 68.868 -0.166 0.000 0.866 341 T HN 0.463 nan 8.240 nan 0.000 0.444 342 A N 1.702 124.380 122.820 -0.236 0.000 1.892 342 A HA -0.008 4.312 4.320 -0.001 0.000 0.218 342 A C 2.674 180.243 177.584 -0.025 0.000 1.188 342 A CA 2.183 54.125 52.037 -0.158 0.000 0.631 342 A CB -1.268 17.635 19.000 -0.162 0.000 0.822 342 A HN 0.536 nan 8.150 nan 0.000 0.447 343 A N -0.610 122.101 122.820 -0.181 0.000 1.902 343 A HA -0.172 4.147 4.320 -0.001 0.000 0.217 343 A C 2.153 179.708 177.584 -0.048 0.000 1.181 343 A CA 2.027 53.975 52.037 -0.149 0.000 0.623 343 A CB -0.506 18.277 19.000 -0.362 0.000 0.818 343 A HN 0.563 nan 8.150 nan 0.000 0.443 344 K N -0.275 120.078 120.400 -0.078 0.000 2.020 344 K HA -0.149 4.171 4.320 -0.001 0.000 0.212 344 K C 1.930 178.552 176.600 0.037 0.000 1.050 344 K CA 1.804 58.076 56.287 -0.025 0.000 0.929 344 K CB -0.363 32.107 32.500 -0.050 0.000 0.714 344 K HN 0.506 nan 8.250 nan 0.000 0.443 345 L N 0.572 121.833 121.223 0.064 0.000 2.056 345 L HA -0.164 4.176 4.340 -0.001 0.000 0.207 345 L C 2.474 179.451 176.870 0.178 0.000 1.078 345 L CA 0.924 55.843 54.840 0.133 0.000 0.749 345 L CB -0.401 41.773 42.059 0.193 0.000 0.901 345 L HN 0.220 nan 8.230 nan 0.000 0.433 346 I N 0.157 120.853 120.570 0.211 0.000 2.142 346 I HA -0.218 3.951 4.170 -0.001 0.000 0.240 346 I C 2.691 178.913 176.117 0.175 0.000 1.078 346 I CA 1.626 63.060 61.300 0.224 0.000 1.343 346 I CB -0.900 37.233 38.000 0.222 0.000 1.046 346 I HN 0.255 nan 8.210 nan 0.000 0.405 347 G N 0.162 109.053 108.800 0.153 0.000 2.440 347 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.218 347 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.218 347 G C 1.522 176.518 174.900 0.161 0.000 1.154 347 G CA 0.768 45.978 45.100 0.183 0.000 0.767 347 G HN 0.424 nan 8.290 nan 0.000 0.552 348 E N 0.534 120.806 120.200 0.120 0.000 2.051 348 E HA -0.130 4.220 4.350 -0.001 0.000 0.192 348 E C 2.519 179.186 176.600 0.111 0.000 0.991 348 E CA 1.174 57.639 56.400 0.109 0.000 0.799 348 E CB -0.111 29.632 29.700 0.072 0.000 0.748 348 E HN 0.349 nan 8.360 nan 0.000 0.449 349 N N 0.496 119.247 118.700 0.085 0.000 2.188 349 N HA -0.121 4.619 4.740 -0.001 0.000 0.184 349 N C 1.619 177.121 175.510 -0.014 0.000 1.018 349 N CA 0.465 53.539 53.050 0.040 0.000 0.858 349 N CB -0.144 38.366 38.487 0.038 0.000 0.989 349 N HN 0.034 nan 8.380 nan 0.000 0.426 350 L N 0.614 121.835 121.223 -0.004 0.000 2.056 350 L HA -0.132 4.207 4.340 -0.001 0.000 0.207 350 L C 2.180 178.959 176.870 -0.153 0.000 1.078 350 L CA 1.786 56.561 54.840 -0.109 0.000 0.749 350 L CB -0.960 40.998 42.059 -0.167 0.000 0.901 350 L HN 0.380 nan 8.230 nan 0.000 0.433 351 H N -0.244 118.762 119.070 -0.108 0.000 2.319 351 H HA -0.245 4.311 4.556 -0.001 0.000 0.299 351 H C 2.190 177.499 175.328 -0.032 0.000 1.092 351 H CA 2.183 58.231 56.048 0.001 0.000 1.302 351 H CB 0.267 30.090 29.762 0.101 0.000 1.373 351 H HN 0.274 nan 8.280 nan 0.000 0.497 352 K N 0.372 120.777 120.400 0.008 0.000 2.032 352 K HA -0.097 4.223 4.320 -0.001 0.000 0.209 352 K C 2.298 178.787 176.600 -0.186 0.000 1.048 352 K CA 2.272 58.525 56.287 -0.057 0.000 0.927 352 K CB -0.739 31.770 32.500 0.014 0.000 0.712 352 K HN 0.213 nan 8.250 nan 0.000 0.441 353 T N 1.534 115.948 114.554 -0.234 0.000 2.684 353 T HA -0.101 4.248 4.350 -0.001 0.000 0.267 353 T C 1.697 175.985 174.700 -0.686 0.000 1.036 353 T CA 1.660 63.505 62.100 -0.424 0.000 1.148 353 T CB -0.227 68.393 68.868 -0.414 0.000 0.863 353 T HN 0.143 nan 8.240 nan 0.000 0.436 354 L N 1.225 122.157 121.223 -0.484 0.000 2.093 354 L HA -0.101 4.238 4.340 -0.001 0.000 0.208 354 L C 3.105 179.839 176.870 -0.226 0.000 1.085 354 L CA 1.644 56.276 54.840 -0.347 0.000 0.755 354 L CB -1.329 40.633 42.059 -0.161 0.000 0.904 354 L HN 0.491 nan 8.230 nan 0.000 0.435 355 T N -3.610 110.776 114.554 -0.281 0.000 2.708 355 T HA -0.184 4.165 4.350 -0.001 0.000 0.266 355 T C 1.488 176.134 174.700 -0.089 0.000 1.037 355 T CA 1.308 63.295 62.100 -0.188 0.000 1.146 355 T CB -0.396 68.333 68.868 -0.231 0.000 0.865 355 T HN 0.177 nan 8.240 nan 0.000 0.435 356 D N 0.840 121.170 120.400 -0.116 0.000 2.116 356 D HA -0.107 4.533 4.640 -0.001 0.000 0.193 356 D C 1.970 178.331 176.300 0.101 0.000 0.998 356 D CA 1.276 55.258 54.000 -0.030 0.000 0.836 356 D CB -0.571 40.194 40.800 -0.058 0.000 0.951 356 D HN 0.412 nan 8.370 nan 0.000 0.449 357 Y N 0.959 121.254 120.300 -0.009 0.000 2.165 357 Y HA -0.105 4.445 4.550 -0.001 0.000 0.286 357 Y C 2.380 178.286 175.900 0.009 0.000 1.155 357 Y CA 0.487 58.591 58.100 0.007 0.000 1.164 357 Y CB -0.778 37.690 38.460 0.013 0.000 0.978 357 Y HN -0.007 nan 8.280 nan 0.000 0.513 358 K N 0.127 120.624 120.400 0.161 0.000 2.152 358 K HA -0.158 4.161 4.320 -0.001 0.000 0.206 358 K C 0.873 177.517 176.600 0.073 0.000 1.048 358 K CA 1.576 57.919 56.287 0.093 0.000 0.933 358 K CB -0.046 32.485 32.500 0.052 0.000 0.721 358 K HN 0.275 nan 8.250 nan 0.000 0.447 359 D N -1.179 119.262 120.400 0.067 0.000 2.349 359 D HA 0.030 4.669 4.640 -0.001 0.000 0.224 359 D C 1.034 177.370 176.300 0.061 0.000 1.029 359 D CA 0.961 54.993 54.000 0.054 0.000 0.879 359 D CB 0.692 41.515 40.800 0.039 0.000 0.906 359 D HN 0.460 nan 8.370 nan 0.000 0.528 360 G N 0.467 109.315 108.800 0.079 0.000 2.175 360 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.244 360 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.244 360 G C 0.436 175.362 174.900 0.044 0.000 0.982 360 G CA 0.056 45.196 45.100 0.068 0.000 0.641 360 G HN 0.293 nan 8.290 nan 0.000 0.527 361 V N 1.820 121.773 119.914 0.066 0.000 2.458 361 V HA 0.235 4.354 4.120 -0.001 0.000 0.287 361 V C 1.851 177.969 176.094 0.041 0.000 1.009 361 V CA 1.043 63.371 62.300 0.046 0.000 1.091 361 V CB 0.935 32.798 31.823 0.067 0.000 0.960 361 V HN 0.346 nan 8.190 nan 0.000 0.476 362 L N 4.743 125.916 121.223 -0.083 0.000 2.221 362 L HA 0.134 4.474 4.340 -0.001 0.000 0.202 362 L C 1.437 178.242 176.870 -0.108 0.000 1.074 362 L CA 0.438 55.170 54.840 -0.180 0.000 0.795 362 L CB -0.387 41.370 42.059 -0.504 0.000 0.960 362 L HN 0.625 nan 8.230 nan 0.000 0.458 363 K N 1.403 121.745 120.400 -0.096 0.000 2.440 363 K HA 0.059 4.379 4.320 -0.001 0.000 0.270 363 K C -0.181 176.462 176.600 0.071 0.000 0.980 363 K CA -0.150 56.137 56.287 -0.000 0.000 0.953 363 K CB 0.370 32.855 32.500 -0.026 0.000 0.925 363 K HN 0.072 nan 8.250 nan 0.000 0.497 371 D N 1.409 121.806 120.400 -0.005 0.000 2.144 371 D HA -0.002 4.638 4.640 -0.001 0.000 0.199 371 D C 1.841 178.149 176.300 0.012 0.000 0.984 371 D CA 1.106 55.109 54.000 0.004 0.000 0.834 371 D CB 0.188 40.993 40.800 0.008 0.000 0.955 371 D HN 0.428 nan 8.370 nan 0.000 0.465 372 L N -0.508 120.724 121.223 0.015 0.000 2.201 372 L HA -0.098 4.241 4.340 -0.001 0.000 0.212 372 L C 2.316 179.198 176.870 0.019 0.000 1.105 372 L CA 0.279 55.133 54.840 0.023 0.000 0.775 372 L CB -0.278 41.798 42.059 0.027 0.000 0.913 372 L HN -0.007 nan 8.230 nan 0.000 0.440 373 V N -0.863 119.057 119.914 0.011 0.000 2.407 373 V HA -0.286 3.834 4.120 -0.001 0.000 0.248 373 V C 2.677 178.778 176.094 0.012 0.000 1.055 373 V CA 2.085 64.391 62.300 0.010 0.000 1.049 373 V CB -0.295 31.530 31.823 0.003 0.000 0.662 373 V HN 0.487 nan 8.190 nan 0.000 0.455 374 S N -0.313 115.393 115.700 0.011 0.000 2.348 374 S HA -0.147 4.323 4.470 -0.001 0.000 0.219 374 S C 1.925 176.535 174.600 0.017 0.000 1.033 374 S CA 1.406 59.613 58.200 0.012 0.000 0.974 374 S CB -0.181 63.025 63.200 0.009 0.000 0.868 374 S HN 0.714 nan 8.310 nan 0.000 0.459 375 E N 0.110 120.322 120.200 0.021 0.000 2.285 375 E HA 0.249 4.599 4.350 -0.001 0.000 0.194 375 E C 0.775 177.394 176.600 0.033 0.000 0.997 375 E CA 0.397 56.813 56.400 0.027 0.000 0.845 375 E CB 0.016 29.735 29.700 0.032 0.000 0.782 375 E HN 0.600 nan 8.360 nan 0.000 0.491 376 G N 1.143 109.963 108.800 0.033 0.000 2.634 376 G HA2 -0.032 3.927 3.960 -0.001 0.000 0.568 376 G HA3 -0.032 3.927 3.960 -0.001 0.000 0.568 376 G C -0.656 174.270 174.900 0.044 0.000 1.495 376 G CA -1.020 44.103 45.100 0.038 0.000 0.903 376 G HN -0.141 nan 8.290 nan 0.000 0.646 377 M N 2.203 121.828 119.600 0.041 0.000 2.227 377 M HA 0.235 4.714 4.480 -0.001 0.000 0.349 377 M C -2.007 174.329 176.300 0.060 0.000 1.443 377 M CA -1.996 53.330 55.300 0.045 0.000 1.110 377 M CB 0.005 32.627 32.600 0.036 0.000 1.773 377 M HN 0.261 nan 8.290 nan 0.000 0.463 378 P HA 0.135 nan 4.420 nan 0.000 0.271 378 P C 0.761 178.115 177.300 0.089 0.000 1.216 378 P CA 0.011 63.170 63.100 0.098 0.000 0.776 378 P CB 0.374 32.146 31.700 0.120 0.000 0.881 379 T N -1.955 112.657 114.554 0.096 0.000 3.065 379 T HA 0.102 4.451 4.350 -0.001 0.000 0.252 379 T C 0.397 175.160 174.700 0.104 0.000 1.099 379 T CA 0.467 62.619 62.100 0.087 0.000 1.063 379 T CB -0.307 68.607 68.868 0.077 0.000 0.948 379 T HN 0.340 nan 8.240 nan 0.000 0.506 380 T N 2.057 116.693 114.554 0.136 0.000 2.991 380 T HA 0.620 4.969 4.350 -0.001 0.000 0.303 380 T C -1.055 173.748 174.700 0.172 0.000 1.015 380 T CA -0.629 61.565 62.100 0.157 0.000 1.007 380 T CB 1.812 70.799 68.868 0.198 0.000 1.034 380 T HN 0.194 nan 8.240 nan 0.000 0.446 381 M N 2.653 122.335 119.600 0.135 0.000 2.259 381 M HA 0.487 4.967 4.480 -0.001 0.000 0.304 381 M C -0.818 175.537 176.300 0.091 0.000 1.019 381 M CA -0.663 54.708 55.300 0.118 0.000 0.922 381 M CB 2.387 35.046 32.600 0.099 0.000 1.600 381 M HN 0.463 nan 8.290 nan 0.000 0.433 382 T N 2.496 117.065 114.554 0.025 0.000 2.881 382 T HA 0.392 4.741 4.350 -0.001 0.000 0.291 382 T C -1.645 172.922 174.700 -0.220 0.000 0.990 382 T CA -0.571 61.474 62.100 -0.092 0.000 0.976 382 T CB 1.520 70.302 68.868 -0.143 0.000 0.970 382 T HN 0.610 nan 8.240 nan 0.000 0.438 383 W N 4.572 125.713 121.300 -0.266 0.000 2.538 383 W HA 0.510 5.170 4.660 -0.000 0.000 0.322 383 W C -0.948 175.482 176.519 -0.149 0.000 1.028 383 W CA -0.845 56.367 57.345 -0.221 0.000 1.228 383 W CB 1.260 30.684 29.460 -0.060 0.000 1.356 383 W HN 0.330 nan 8.180 nan 0.000 0.452 384 V N 4.998 124.667 119.914 -0.409 0.000 2.529 384 V HA -0.045 4.074 4.120 -0.001 0.000 0.292 384 V C 0.656 176.812 176.094 0.103 0.000 1.028 384 V CA 0.517 62.750 62.300 -0.111 0.000 1.074 384 V CB 0.933 32.750 31.823 -0.009 0.000 0.958 384 V HN 0.495 nan 8.190 nan 0.000 0.481 385 S N 4.197 119.984 115.700 0.144 0.000 2.438 385 S HA 0.766 5.236 4.470 -0.001 0.000 0.293 385 S C 0.020 174.696 174.600 0.125 0.000 1.141 385 S CA 0.386 58.679 58.200 0.155 0.000 1.080 385 S CB 0.314 63.581 63.200 0.112 0.000 0.978 385 S HN 1.728 nan 8.310 nan 0.000 0.479 386 G N 2.295 111.177 108.800 0.136 0.000 2.335 386 G HA2 0.302 4.261 3.960 -0.001 0.000 0.592 386 G HA3 0.302 4.261 3.960 -0.001 0.000 0.592 386 G C -0.591 174.389 174.900 0.134 0.000 1.442 386 G CA -0.259 44.923 45.100 0.137 0.000 0.976 386 G HN 1.460 nan 8.290 nan 0.000 0.652 387 T N -0.338 114.289 114.554 0.123 0.000 3.078 387 T HA 0.667 5.017 4.350 -0.001 0.000 0.328 387 T C -1.620 173.103 174.700 0.038 0.000 0.987 387 T CA -1.152 60.954 62.100 0.010 0.000 1.049 387 T CB 2.389 71.250 68.868 -0.012 0.000 1.011 387 T HN 0.230 nan 8.240 nan 0.000 0.463 388 P HA -0.130 nan 4.420 nan 0.000 0.218 388 P C 1.583 178.883 177.300 0.001 0.000 1.146 388 P CA 0.931 64.080 63.100 0.082 0.000 0.820 388 P CB 0.182 31.959 31.700 0.128 0.000 0.778 389 K N -0.819 119.534 120.400 -0.078 0.000 2.147 389 K HA -0.041 4.278 4.320 -0.001 0.000 0.205 389 K C 0.875 177.317 176.600 -0.262 0.000 1.049 389 K CA 0.698 56.902 56.287 -0.138 0.000 0.936 389 K CB -0.619 31.790 32.500 -0.152 0.000 0.722 389 K HN 0.302 nan 8.250 nan 0.000 0.446 390 L N 2.419 123.444 121.223 -0.330 0.000 2.281 390 L HA 0.165 4.505 4.340 -0.001 0.000 0.285 390 L C 0.644 177.205 176.870 -0.515 0.000 1.074 390 L CA -0.386 54.001 54.840 -0.753 0.000 0.817 390 L CB 0.791 42.323 42.059 -0.879 0.000 1.168 390 L HN -0.191 nan 8.230 nan 0.000 0.434 391 R N 3.642 123.870 120.500 -0.453 0.000 3.657 391 R HA 0.125 4.464 4.340 -0.001 0.000 0.220 391 R C 0.509 176.903 176.300 0.157 0.000 1.548 391 R CA -0.163 55.930 56.100 -0.012 0.000 1.465 391 R CB -0.207 30.131 30.300 0.064 0.000 1.330 391 R HN 0.566 nan 8.270 nan 0.000 0.707 392 F N -0.545 119.589 119.950 0.306 0.000 2.307 392 F HA -0.183 4.343 4.527 -0.001 0.000 0.301 392 F C 1.602 177.554 175.800 0.254 0.000 1.076 392 F CA 1.028 59.230 58.000 0.335 0.000 1.383 392 F CB -0.396 38.760 39.000 0.261 0.000 1.055 392 F HN 0.387 nan 8.300 nan 0.000 0.526 393 Y N -0.017 120.479 120.300 0.328 0.000 2.632 393 Y HA -0.131 4.419 4.550 0.000 0.000 0.301 393 Y C 1.329 177.333 175.900 0.174 0.000 1.172 393 Y CA 0.423 58.656 58.100 0.221 0.000 1.328 393 Y CB -0.344 38.199 38.460 0.139 0.000 1.016 393 Y HN 0.013 nan 8.280 nan 0.000 0.529 394 D N -0.805 119.765 120.400 0.282 0.000 2.369 394 D HA 0.038 4.677 4.640 -0.001 0.000 0.211 394 D C 0.316 176.661 176.300 0.075 0.000 1.077 394 D CA 0.293 54.392 54.000 0.165 0.000 0.842 394 D CB 0.152 41.023 40.800 0.119 0.000 0.947 394 D HN 0.120 nan 8.370 nan 0.000 0.509 395 M N 1.573 121.229 119.600 0.094 0.000 2.435 395 M HA 0.063 4.543 4.480 -0.001 0.000 0.338 395 M C -0.034 176.204 176.300 -0.103 0.000 1.628 395 M CA 0.317 55.545 55.300 -0.120 0.000 1.215 395 M CB -0.273 32.236 32.600 -0.152 0.000 1.905 395 M HN -0.205 nan 8.290 nan 0.000 0.457 396 D N 3.088 123.292 120.400 -0.326 0.000 2.471 396 D HA 0.252 4.892 4.640 -0.001 0.000 0.245 396 D C -0.197 175.724 176.300 -0.631 0.000 1.116 396 D CA -0.417 53.416 54.000 -0.279 0.000 0.853 396 D CB 0.561 41.278 40.800 -0.138 0.000 1.123 396 D HN 0.370 nan 8.370 nan 0.000 0.540 397 F N 1.652 121.081 119.950 -0.869 0.000 2.797 397 F HA 0.267 4.793 4.527 -0.001 0.000 0.302 397 F C 2.083 177.271 175.800 -1.020 0.000 1.130 397 F CA 0.591 57.929 58.000 -1.102 0.000 1.387 397 F CB 0.762 38.795 39.000 -1.611 0.000 1.107 397 F HN 0.647 nan 8.300 nan 0.000 0.577 398 G N -1.722 106.666 108.800 -0.688 0.000 2.318 398 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.172 398 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.172 398 G C 0.552 175.332 174.900 -0.199 0.000 1.002 398 G CA -0.186 44.673 45.100 -0.401 0.000 0.697 398 G HN 0.257 nan 8.290 nan 0.000 0.483 399 W N 1.542 122.824 121.300 -0.030 0.000 3.220 399 W HA 0.576 5.235 4.660 -0.002 0.000 0.328 399 W C 1.159 177.734 176.519 0.094 0.000 1.205 399 W CA -0.092 57.263 57.345 0.016 0.000 1.773 399 W CB -0.505 28.946 29.460 -0.015 0.000 1.086 399 W HN 1.249 nan 8.180 nan 0.000 0.622 400 G N 1.407 110.319 108.800 0.187 0.000 2.592 400 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.684 400 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.684 400 G C -0.594 174.509 174.900 0.339 0.000 1.291 400 G CA -1.137 44.097 45.100 0.223 0.000 0.891 400 G HN -0.029 nan 8.290 nan 0.000 0.544 401 K N 0.861 121.431 120.400 0.284 0.000 2.168 401 K HA 0.441 4.760 4.320 -0.001 0.000 0.258 401 K C -2.176 174.619 176.600 0.325 0.000 1.010 401 K CA -1.107 55.365 56.287 0.308 0.000 0.929 401 K CB 0.518 33.147 32.500 0.216 0.000 0.998 401 K HN 0.275 nan 8.250 nan 0.000 0.479 402 P HA 0.005 nan 4.420 nan 0.000 0.271 402 P C -0.185 177.192 177.300 0.128 0.000 1.216 402 P CA -0.061 62.926 63.100 -0.189 0.000 0.771 402 P CB 0.928 32.504 31.700 -0.206 0.000 0.864 403 K N 2.939 123.385 120.400 0.077 0.000 2.057 403 K HA -0.077 4.243 4.320 -0.001 0.000 0.206 403 K C 0.338 177.070 176.600 0.222 0.000 1.050 403 K CA 1.810 58.176 56.287 0.131 0.000 0.935 403 K CB -0.087 32.454 32.500 0.068 0.000 0.715 403 K HN 0.200 nan 8.250 nan 0.000 0.439 404 K N -0.480 120.048 120.400 0.215 0.000 2.542 404 K HA 0.415 4.735 4.320 -0.001 0.000 0.259 404 K C -1.779 174.866 176.600 0.075 0.000 0.932 404 K CA -0.463 55.965 56.287 0.236 0.000 0.820 404 K CB 1.143 33.701 32.500 0.097 0.000 1.345 404 K HN 0.049 nan 8.250 nan 0.000 0.432 405 L N 2.791 123.917 121.223 -0.162 0.000 2.334 405 L HA 0.660 5.000 4.340 -0.001 0.000 0.276 405 L C -0.338 176.436 176.870 -0.159 0.000 1.014 405 L CA -0.961 53.661 54.840 -0.363 0.000 0.815 405 L CB 1.851 43.482 42.059 -0.714 0.000 1.268 405 L HN 0.505 nan 8.230 nan 0.000 0.428 406 E N 1.175 121.264 120.200 -0.185 0.000 2.275 406 E HA 0.326 4.676 4.350 -0.001 0.000 0.270 406 E C -1.212 175.262 176.600 -0.209 0.000 0.882 406 E CA -0.547 55.757 56.400 -0.159 0.000 0.758 406 E CB 2.579 32.212 29.700 -0.112 0.000 1.195 406 E HN 0.407 nan 8.360 nan 0.000 0.419 407 T N 1.965 116.412 114.554 -0.179 0.000 2.832 407 T HA 0.156 4.506 4.350 -0.001 0.000 0.313 407 T C 1.358 175.996 174.700 -0.104 0.000 1.035 407 T CA -0.249 61.766 62.100 -0.143 0.000 0.950 407 T CB 0.581 69.381 68.868 -0.113 0.000 0.984 407 T HN 0.144 nan 8.240 nan 0.000 0.486 408 V N 2.889 122.758 119.914 -0.073 0.000 2.667 408 V HA -0.111 4.009 4.120 -0.001 0.000 0.252 408 V C 2.458 178.558 176.094 0.010 0.000 1.065 408 V CA 1.800 64.087 62.300 -0.021 0.000 1.083 408 V CB -0.440 31.428 31.823 0.075 0.000 0.692 408 V HN 0.930 nan 8.190 nan 0.000 0.468 409 S N 1.054 116.758 115.700 0.006 0.000 2.555 409 S HA -0.045 4.424 4.470 -0.001 0.000 0.230 409 S C 1.819 176.463 174.600 0.072 0.000 0.978 409 S CA 1.030 59.256 58.200 0.043 0.000 0.934 409 S CB -0.812 62.447 63.200 0.100 0.000 0.766 409 S HN 0.783 nan 8.310 nan 0.000 0.533 410 I N -0.555 120.037 120.570 0.036 0.000 2.756 410 I HA -0.057 4.112 4.170 -0.001 0.000 0.262 410 I C 0.924 177.071 176.117 0.049 0.000 1.225 410 I CA 1.144 62.475 61.300 0.051 0.000 1.472 410 I CB -0.493 37.521 38.000 0.024 0.000 1.094 410 I HN -0.079 nan 8.210 nan 0.000 0.454 411 D N 0.867 121.279 120.400 0.019 0.000 2.264 411 D HA -0.150 4.490 4.640 -0.001 0.000 0.208 411 D C 1.909 178.222 176.300 0.022 0.000 0.966 411 D CA 1.345 55.358 54.000 0.022 0.000 0.864 411 D CB -0.446 40.399 40.800 0.075 0.000 0.933 411 D HN 0.605 nan 8.370 nan 0.000 0.499 412 H N -0.454 118.632 119.070 0.027 0.000 2.428 412 H HA -0.013 4.542 4.556 -0.001 0.000 0.296 412 H C 0.356 175.693 175.328 0.014 0.000 1.062 412 H CA 0.972 57.023 56.048 0.004 0.000 1.350 412 H CB 0.290 30.049 29.762 -0.005 0.000 1.403 412 H HN 0.231 nan 8.280 nan 0.000 0.533 413 N N -2.215 116.579 118.700 0.157 0.000 3.378 413 N HA 0.113 4.853 4.740 -0.001 0.000 0.294 413 N C -0.331 175.232 175.510 0.089 0.000 1.544 413 N CA -0.390 52.723 53.050 0.104 0.000 0.872 413 N CB 0.210 38.749 38.487 0.086 0.000 1.670 413 N HN 0.004 nan 8.380 nan 0.000 0.551 414 G N -1.039 107.810 108.800 0.081 0.000 2.690 414 G HA2 0.537 4.496 3.960 -0.001 0.000 0.294 414 G HA3 0.537 4.496 3.960 -0.001 0.000 0.294 414 G C -0.544 174.414 174.900 0.098 0.000 0.793 414 G CA 0.376 45.526 45.100 0.082 0.000 1.818 414 G HN 0.795 nan 8.290 nan 0.000 0.515 415 A N 2.351 125.219 122.820 0.081 0.000 2.574 415 A HA 0.805 5.125 4.320 -0.001 0.000 0.297 415 A C -0.508 177.105 177.584 0.048 0.000 1.062 415 A CA -0.784 51.306 52.037 0.088 0.000 0.686 415 A CB 1.338 20.412 19.000 0.123 0.000 1.285 415 A HN 1.156 nan 8.150 nan 0.000 0.403 416 I N -0.963 119.629 120.570 0.036 0.000 3.042 416 I HA 0.884 5.053 4.170 -0.001 0.000 0.310 416 I C -0.148 176.005 176.117 0.059 0.000 1.117 416 I CA -0.803 60.523 61.300 0.042 0.000 1.003 416 I CB 2.480 40.521 38.000 0.068 0.000 1.228 416 I HN 0.633 nan 8.210 nan 0.000 0.443 417 S N 3.612 119.348 115.700 0.060 0.000 2.501 417 S HA 0.806 5.275 4.470 -0.001 0.000 0.301 417 S C -0.752 173.915 174.600 0.112 0.000 1.096 417 S CA -0.627 57.616 58.200 0.071 0.000 1.063 417 S CB 1.386 64.599 63.200 0.021 0.000 1.042 417 S HN 0.608 nan 8.310 nan 0.000 0.494 418 I N 2.753 123.413 120.570 0.150 0.000 2.499 418 I HA 0.493 4.663 4.170 -0.001 0.000 0.288 418 I C -0.803 175.440 176.117 0.210 0.000 1.048 418 I CA -0.632 60.786 61.300 0.197 0.000 1.062 418 I CB 1.898 40.049 38.000 0.252 0.000 1.238 418 I HN 0.670 nan 8.210 nan 0.000 0.426 419 N N 2.855 121.675 118.700 0.200 0.000 2.494 419 N HA 0.365 5.104 4.740 -0.001 0.000 0.270 419 N C -0.903 174.734 175.510 0.211 0.000 1.285 419 N CA -0.542 52.638 53.050 0.217 0.000 0.812 419 N CB 2.462 41.086 38.487 0.227 0.000 1.557 419 N HN 0.596 nan 8.380 nan 0.000 0.487 420 S N -0.657 115.167 115.700 0.207 0.000 2.600 420 S HA 0.293 4.762 4.470 -0.001 0.000 0.265 420 S C 1.113 175.803 174.600 0.149 0.000 1.325 420 S CA -0.548 57.745 58.200 0.154 0.000 1.002 420 S CB 0.700 63.970 63.200 0.117 0.000 0.921 420 S HN 0.610 nan 8.310 nan 0.000 0.554 421 C N 0.669 119.969 119.300 -0.000 0.000 6.534 421 C HA 0.472 4.931 4.460 -0.001 0.000 0.187 421 C C 2.199 176.882 174.990 -0.511 0.000 2.078 421 C CA 0.513 59.400 59.018 -0.218 0.000 1.738 421 C CB -0.422 27.224 27.740 -0.157 0.000 1.973 421 C HN 1.155 nan 8.230 nan 0.000 0.230 422 K N -1.034 119.133 120.400 -0.389 0.000 2.954 422 K HA -0.036 4.283 4.320 -0.001 0.000 0.181 422 K C 1.561 178.064 176.600 -0.161 0.000 2.022 422 K CA 0.550 56.581 56.287 -0.426 0.000 1.440 422 K CB -0.778 31.228 32.500 -0.824 0.000 2.298 422 K HN 0.482 nan 8.250 nan 0.000 0.597 423 E N 1.102 121.214 120.200 -0.147 0.000 2.170 423 E HA 0.055 4.404 4.350 -0.001 0.000 0.191 423 E C 0.256 176.826 176.600 -0.050 0.000 0.981 423 E CA 0.611 56.969 56.400 -0.070 0.000 0.830 423 E CB 0.350 30.013 29.700 -0.062 0.000 0.775 423 E HN 0.069 nan 8.360 nan 0.000 0.470 424 S N 0.584 116.246 115.700 -0.064 0.000 2.561 424 S HA 0.231 4.700 4.470 -0.001 0.000 0.303 424 S C 0.240 174.826 174.600 -0.023 0.000 1.110 424 S CA -0.655 57.525 58.200 -0.033 0.000 1.034 424 S CB 0.914 64.099 63.200 -0.026 0.000 1.010 424 S HN 0.282 nan 8.310 nan 0.000 0.482 425 N N 3.173 121.872 118.700 -0.001 0.000 2.494 425 N HA 0.025 4.764 4.740 -0.001 0.000 0.182 425 N C 0.777 176.301 175.510 0.023 0.000 1.076 425 N CA 0.582 53.642 53.050 0.017 0.000 0.908 425 N CB 0.168 38.667 38.487 0.019 0.000 0.967 425 N HN 0.701 nan 8.380 nan 0.000 0.449 426 E N -0.085 120.125 120.200 0.017 0.000 2.474 426 E HA 0.020 4.370 4.350 -0.001 0.000 0.195 426 E C -0.679 175.939 176.600 0.030 0.000 1.039 426 E CA -0.037 56.377 56.400 0.025 0.000 0.881 426 E CB 0.386 30.096 29.700 0.017 0.000 0.970 426 E HN 0.356 nan 8.360 nan 0.000 0.486 427 D N 0.289 120.703 120.400 0.022 0.000 2.253 427 D HA 0.336 4.975 4.640 -0.001 0.000 0.249 427 D C -0.265 176.067 176.300 0.053 0.000 1.049 427 D CA -0.148 53.869 54.000 0.028 0.000 0.929 427 D CB 1.455 42.257 40.800 0.003 0.000 1.176 427 D HN -0.064 nan 8.370 nan 0.000 0.437 428 L N 0.933 122.202 121.223 0.077 0.000 2.346 428 L HA 0.406 4.746 4.340 -0.001 0.000 0.276 428 L C 0.130 177.069 176.870 0.115 0.000 1.006 428 L CA -0.780 54.128 54.840 0.113 0.000 0.817 428 L CB 1.702 43.846 42.059 0.140 0.000 1.272 428 L HN 0.126 nan 8.230 nan 0.000 0.421 429 E N 4.000 124.273 120.200 0.122 0.000 2.158 429 E HA 0.521 4.871 4.350 -0.001 0.000 0.271 429 E C -1.099 175.579 176.600 0.130 0.000 0.911 429 E CA -0.528 55.936 56.400 0.106 0.000 0.767 429 E CB 2.724 32.488 29.700 0.107 0.000 1.120 429 E HN 0.402 nan 8.360 nan 0.000 0.405 430 I N 1.838 122.491 120.570 0.138 0.000 2.362 430 I HA 0.319 4.488 4.170 -0.001 0.000 0.289 430 I C 0.435 176.635 176.117 0.138 0.000 0.994 430 I CA -0.557 60.846 61.300 0.172 0.000 1.158 430 I CB 1.869 40.021 38.000 0.253 0.000 1.315 430 I HN 0.469 nan 8.210 nan 0.000 0.451 431 G N 5.570 114.417 108.800 0.078 0.000 2.343 431 G HA2 0.632 4.591 3.960 -0.001 0.000 0.319 431 G HA3 0.632 4.591 3.960 -0.001 0.000 0.319 431 G C -0.970 173.941 174.900 0.018 0.000 1.126 431 G CA -0.337 44.765 45.100 0.003 0.000 0.889 431 G HN 0.347 nan 8.290 nan 0.000 0.457 432 V N 1.255 121.164 119.914 -0.008 0.000 2.638 432 V HA 0.477 4.596 4.120 -0.001 0.000 0.306 432 V C -0.594 175.450 176.094 -0.083 0.000 1.052 432 V CA -0.888 61.383 62.300 -0.048 0.000 0.885 432 V CB 1.890 33.657 31.823 -0.093 0.000 0.999 432 V HN 0.906 nan 8.190 nan 0.000 0.424 433 c N 8.171 126.725 118.600 -0.076 0.000 2.321 433 c HA 0.834 5.404 4.570 -0.001 0.000 0.323 433 c C -0.377 173.687 174.090 -0.043 0.000 1.191 433 c CA -0.459 55.833 56.329 -0.062 0.000 1.455 433 c CB -1.218 41.263 42.510 -0.049 0.000 2.083 433 c HN 0.833 nan 8.230 nan 0.000 0.442 434 I N 3.498 124.043 120.570 -0.042 0.000 3.074 434 I HA 0.696 4.866 4.170 -0.001 0.000 0.310 434 I C 0.149 176.272 176.117 0.010 0.000 1.153 434 I CA -0.417 60.870 61.300 -0.022 0.000 0.993 434 I CB 1.938 39.903 38.000 -0.057 0.000 1.237 434 I HN 0.572 nan 8.210 nan 0.000 0.443 435 S N 2.575 118.292 115.700 0.028 0.000 2.558 435 S HA 0.216 4.685 4.470 -0.001 0.000 0.287 435 S C 1.315 175.942 174.600 0.045 0.000 1.321 435 S CA 0.085 58.309 58.200 0.039 0.000 1.048 435 S CB 1.306 64.533 63.200 0.045 0.000 0.844 435 S HN 1.109 nan 8.310 nan 0.000 0.512 436 A N 3.034 125.881 122.820 0.044 0.000 1.948 436 A HA -0.122 4.198 4.320 -0.001 0.000 0.220 436 A C 2.545 180.165 177.584 0.060 0.000 1.177 436 A CA 2.465 54.531 52.037 0.048 0.000 0.636 436 A CB -2.158 16.867 19.000 0.041 0.000 0.815 436 A HN 1.335 nan 8.150 nan 0.000 0.449 437 T N -2.512 112.077 114.554 0.059 0.000 2.684 437 T HA -0.217 4.133 4.350 -0.001 0.000 0.267 437 T C 1.734 176.485 174.700 0.086 0.000 1.036 437 T CA 1.619 63.759 62.100 0.066 0.000 1.148 437 T CB -0.391 68.512 68.868 0.058 0.000 0.863 437 T HN 0.475 nan 8.240 nan 0.000 0.436 438 Q N -0.003 119.852 119.800 0.091 0.000 2.331 438 Q HA 0.261 4.600 4.340 -0.001 0.000 0.203 438 Q C 2.169 178.268 176.000 0.165 0.000 0.944 438 Q CA 0.581 56.458 55.803 0.123 0.000 0.892 438 Q CB -0.489 28.316 28.738 0.112 0.000 0.983 438 Q HN 0.530 nan 8.270 nan 0.000 0.482 439 M N 1.484 121.164 119.600 0.132 0.000 2.086 439 M HA -0.170 4.310 4.480 -0.001 0.000 0.261 439 M C 1.901 178.320 176.300 0.199 0.000 1.067 439 M CA 1.717 57.115 55.300 0.164 0.000 1.116 439 M CB -0.267 32.396 32.600 0.105 0.000 1.348 439 M HN 0.218 nan 8.290 nan 0.000 0.407 440 E N -0.294 119.992 120.200 0.142 0.000 2.049 440 E HA -0.263 4.086 4.350 -0.001 0.000 0.198 440 E C 1.520 178.223 176.600 0.172 0.000 1.007 440 E CA 1.956 58.428 56.400 0.120 0.000 0.809 440 E CB -0.166 29.609 29.700 0.125 0.000 0.749 440 E HN 0.570 nan 8.360 nan 0.000 0.450 441 D N -0.377 120.155 120.400 0.219 0.000 2.117 441 D HA -0.143 4.497 4.640 -0.001 0.000 0.198 441 D C 1.770 178.191 176.300 0.201 0.000 0.982 441 D CA 0.644 54.786 54.000 0.237 0.000 0.828 441 D CB -0.383 40.518 40.800 0.169 0.000 0.967 441 D HN 0.199 nan 8.370 nan 0.000 0.464 442 F N 1.774 121.777 119.950 0.088 0.000 2.091 442 F HA -0.265 4.261 4.527 -0.001 0.000 0.299 442 F C 2.307 178.139 175.800 0.053 0.000 1.103 442 F CA 1.134 59.161 58.000 0.045 0.000 1.228 442 F CB -0.145 38.872 39.000 0.028 0.000 0.984 442 F HN -0.231 nan 8.300 nan 0.000 0.477 443 V N 0.016 120.114 119.914 0.306 0.000 2.287 443 V HA -0.355 3.764 4.120 -0.001 0.000 0.248 443 V C 2.470 178.638 176.094 0.124 0.000 1.053 443 V CA 2.273 64.740 62.300 0.278 0.000 1.027 443 V CB -0.941 30.999 31.823 0.195 0.000 0.646 443 V HN 0.406 nan 8.190 nan 0.000 0.447 444 H N -0.408 118.738 119.070 0.126 0.000 2.319 444 H HA -0.098 4.458 4.556 -0.001 0.000 0.299 444 H C 2.392 177.725 175.328 0.008 0.000 1.092 444 H CA 2.101 58.190 56.048 0.068 0.000 1.302 444 H CB -0.308 29.479 29.762 0.043 0.000 1.373 444 H HN 0.365 nan 8.280 nan 0.000 0.497 445 I N 0.058 120.659 120.570 0.052 0.000 2.127 445 I HA -0.310 3.860 4.170 -0.001 0.000 0.241 445 I C 2.527 178.554 176.117 -0.150 0.000 1.075 445 I CA 1.439 62.671 61.300 -0.114 0.000 1.334 445 I CB -0.447 37.397 38.000 -0.261 0.000 1.040 445 I HN 0.044 nan 8.210 nan 0.000 0.405 446 F N 1.968 121.696 119.950 -0.370 0.000 2.069 446 F HA -0.308 4.218 4.527 -0.001 0.000 0.298 446 F C 2.234 178.052 175.800 0.030 0.000 1.113 446 F CA 2.053 59.916 58.000 -0.229 0.000 1.214 446 F CB -0.258 38.504 39.000 -0.397 0.000 0.978 446 F HN 0.093 nan 8.300 nan 0.000 0.474 447 D N 0.307 120.870 120.400 0.273 0.000 2.097 447 D HA -0.166 4.473 4.640 -0.001 0.000 0.197 447 D C 1.892 178.219 176.300 0.045 0.000 0.984 447 D CA 1.598 55.712 54.000 0.189 0.000 0.826 447 D CB -0.648 40.295 40.800 0.239 0.000 0.973 447 D HN 0.342 nan 8.370 nan 0.000 0.460 448 D N 0.165 120.594 120.400 0.049 0.000 2.117 448 D HA -0.081 4.558 4.640 -0.001 0.000 0.197 448 D C 2.164 178.442 176.300 -0.036 0.000 0.987 448 D CA 1.273 55.281 54.000 0.012 0.000 0.829 448 D CB -0.733 40.079 40.800 0.021 0.000 0.961 448 D HN 0.268 nan 8.370 nan 0.000 0.460 449 G N 0.214 108.984 108.800 -0.050 0.000 2.498 449 G HA2 -0.067 3.893 3.960 -0.001 0.000 0.219 449 G HA3 -0.067 3.893 3.960 -0.001 0.000 0.219 449 G C 0.918 175.764 174.900 -0.090 0.000 1.119 449 G CA 0.390 45.469 45.100 -0.035 0.000 0.766 449 G HN 0.185 nan 8.290 nan 0.000 0.552 450 L N 0.000 121.111 121.223 -0.186 0.000 2.949 450 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 450 L CA 0.000 54.671 54.840 -0.282 0.000 0.813 450 L CB 0.000 41.829 42.059 -0.384 0.000 0.961 450 L HN 0.000 nan 8.230 nan 0.000 0.502