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 2ewy_1_C DATA FIRST_RESID 16 DATA SEQUENCE LAMVDNLQGD SGRGYYLEML IGTPPQKLQI LVDTGSSNFA VAGTPHSYID DATA SEQUENCE TYFDTERSST YRSKGFDVTV KYTQGSWTGF VGEDLVTIPK GFNTSFLVNI DATA SEQUENCE ATIFESENFF LPGIKWNGIL GLAYATLAKP SSSLETFFDS LVTQANIPNV DATA SEQUENCE FSMQMcGAXX XXXXXXXNGG SLVLGGIEPS LYKGDIWYTP IKEEWYYQIE DATA SEQUENCE ILKLEIGGQS LNLDcREYNA DKAIVDSGTT LLRLPQKVFD AVVEAVARAS DATA SEQUENCE LIPEFSDGFW TGSQLAcWTN SETPWSYFPK ISIYLRDENS SRSFRITILP DATA SEQUENCE QLYIQPMMGA GLNYEcYRFG ISPSTNALVI GATVMEGFYV IFDRAQKRVG DATA SEQUENCE FAASPcAEIA GAAVSEISGP FSTEDVASNc VPA 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 16 L HA 0.000 nan 4.340 nan 0.000 0.249 16 L C 0.000 176.861 176.870 -0.015 0.000 1.165 16 L CA 0.000 54.819 54.840 -0.035 0.000 0.813 16 L CB 0.000 42.071 42.059 0.020 0.000 0.961 17 A N 0.850 123.650 122.820 -0.033 0.000 3.219 17 A HA 0.651 4.971 4.320 0.000 0.000 0.314 17 A C 0.723 178.301 177.584 -0.010 0.000 1.081 17 A CA -0.278 51.749 52.037 -0.015 0.000 0.995 17 A CB 0.020 19.009 19.000 -0.018 0.000 1.067 17 A HN 0.547 nan 8.150 nan 0.000 0.533 18 M N 0.377 119.980 119.600 0.004 0.000 2.419 18 M HA 0.148 4.628 4.480 0.000 0.000 0.252 18 M C -0.139 176.183 176.300 0.036 0.000 1.143 18 M CA 0.093 55.410 55.300 0.028 0.000 0.985 18 M CB 0.444 33.076 32.600 0.053 0.000 1.489 18 M HN 0.201 nan 8.290 nan 0.000 0.484 19 V N 2.469 122.394 119.914 0.019 0.000 2.763 19 V HA -0.079 4.041 4.120 0.000 0.000 0.306 19 V C 0.604 176.704 176.094 0.010 0.000 1.059 19 V CA 0.665 62.969 62.300 0.008 0.000 1.138 19 V CB 0.287 32.105 31.823 -0.009 0.000 0.940 19 V HN 0.582 nan 8.190 nan 0.000 0.489 20 D N 2.443 122.846 120.400 0.006 0.000 3.012 20 D HA -0.177 4.463 4.640 0.000 0.000 0.222 20 D C 1.036 177.346 176.300 0.017 0.000 1.167 20 D CA 1.251 55.256 54.000 0.009 0.000 0.854 20 D CB -0.984 39.819 40.800 0.006 0.000 1.107 20 D HN 0.931 nan 8.370 nan 0.000 0.421 21 N N 0.396 119.112 118.700 0.027 0.000 2.461 21 N HA -0.052 4.688 4.740 0.000 0.000 0.188 21 N C 0.314 175.838 175.510 0.024 0.000 1.134 21 N CA 0.267 53.340 53.050 0.038 0.000 0.878 21 N CB 0.147 38.672 38.487 0.063 0.000 0.972 21 N HN 0.356 nan 8.380 nan 0.000 0.456 22 L N 0.263 121.489 121.223 0.004 0.000 2.362 22 L HA 0.438 4.778 4.340 0.000 0.000 0.271 22 L C -0.171 176.633 176.870 -0.111 0.000 1.002 22 L CA -0.723 54.096 54.840 -0.034 0.000 0.818 22 L CB 2.145 44.229 42.059 0.042 0.000 1.298 22 L HN -0.003 nan 8.230 nan 0.000 0.420 23 Q N 0.913 120.470 119.800 -0.404 0.000 2.351 23 Q HA 0.808 5.148 4.340 0.000 0.000 0.273 23 Q C -0.179 175.370 176.000 -0.751 0.000 1.077 23 Q CA -0.589 54.892 55.803 -0.537 0.000 0.843 23 Q CB 3.023 31.384 28.738 -0.628 0.000 1.367 23 Q HN 0.865 nan 8.270 nan 0.000 0.449 24 G N 1.288 109.838 108.800 -0.418 0.000 2.331 24 G HA2 0.127 4.087 3.960 0.000 0.000 0.402 24 G HA3 0.127 4.087 3.960 0.000 0.000 0.402 24 G C -2.008 172.502 174.900 -0.650 0.000 1.275 24 G CA -0.241 44.613 45.100 -0.409 0.000 1.003 24 G HN 0.783 nan 8.290 nan 0.000 0.500 25 D N -2.552 117.368 120.400 -0.799 0.000 2.692 25 D HA 0.584 5.224 4.640 0.000 0.000 0.290 25 D C 1.046 177.127 176.300 -0.365 0.000 1.281 25 D CA 0.476 54.122 54.000 -0.589 0.000 0.804 25 D CB 0.882 41.583 40.800 -0.165 0.000 1.331 25 D HN 1.039 nan 8.370 nan 0.000 0.432 26 S N -0.709 114.991 115.700 0.000 0.000 2.420 26 S HA -0.105 4.365 4.470 0.000 0.000 0.237 26 S C 1.855 176.494 174.600 0.065 0.000 1.023 26 S CA 2.338 60.615 58.200 0.128 0.000 0.991 26 S CB -1.054 62.233 63.200 0.143 0.000 0.792 26 S HN 0.617 nan 8.310 nan 0.000 0.488 27 G N 1.357 110.173 108.800 0.025 0.000 2.484 27 G HA2 -0.134 3.826 3.960 0.000 0.000 0.215 27 G HA3 -0.134 3.826 3.960 0.000 0.000 0.215 27 G C 1.445 176.374 174.900 0.048 0.000 1.219 27 G CA 0.521 45.641 45.100 0.033 0.000 0.791 27 G HN 0.528 nan 8.290 nan 0.000 0.550 28 R N 0.315 120.852 120.500 0.063 0.000 2.543 28 R HA 0.354 4.694 4.340 0.000 0.000 0.323 28 R C 0.713 177.168 176.300 0.258 0.000 1.002 28 R CA 0.502 56.699 56.100 0.162 0.000 1.106 28 R CB 0.723 31.117 30.300 0.156 0.000 1.280 28 R HN 0.576 nan 8.270 nan 0.000 0.549 29 G N 0.923 109.778 108.800 0.091 0.000 2.612 29 G HA2 -0.226 3.734 3.960 0.000 0.000 0.686 29 G HA3 -0.226 3.734 3.960 0.000 0.000 0.686 29 G C -1.439 173.439 174.900 -0.037 0.000 1.274 29 G CA -0.975 44.160 45.100 0.058 0.000 0.849 29 G HN 0.107 nan 8.290 nan 0.000 0.595 30 Y N 0.164 120.483 120.300 0.031 0.000 2.341 30 Y HA 0.665 5.216 4.550 0.000 0.000 0.337 30 Y C 0.638 176.542 175.900 0.006 0.000 1.014 30 Y CA -0.309 57.782 58.100 -0.013 0.000 1.111 30 Y CB 1.664 40.093 38.460 -0.052 0.000 1.194 30 Y HN 0.753 nan 8.280 nan 0.000 0.462 31 Y N 1.523 121.886 120.300 0.104 0.000 2.499 31 Y HA 0.759 5.310 4.550 0.000 0.000 0.347 31 Y C -1.636 174.314 175.900 0.083 0.000 0.987 31 Y CA -1.799 56.338 58.100 0.062 0.000 1.044 31 Y CB 1.079 39.609 38.460 0.116 0.000 1.245 31 Y HN 0.500 nan 8.280 nan 0.000 0.461 32 L N 2.788 124.123 121.223 0.187 0.000 2.322 32 L HA 0.492 4.832 4.340 0.000 0.000 0.279 32 L C -0.318 176.670 176.870 0.196 0.000 1.036 32 L CA -0.595 54.320 54.840 0.126 0.000 0.807 32 L CB 1.701 43.790 42.059 0.050 0.000 1.226 32 L HN 0.896 nan 8.230 nan 0.000 0.433 33 E N 5.685 125.990 120.200 0.175 0.000 2.146 33 E HA 0.502 4.852 4.350 0.000 0.000 0.282 33 E C -1.371 175.316 176.600 0.144 0.000 0.989 33 E CA -0.573 55.934 56.400 0.178 0.000 0.799 33 E CB 0.818 30.615 29.700 0.162 0.000 1.088 33 E HN 0.709 nan 8.360 nan 0.000 0.397 34 M N 3.111 122.797 119.600 0.143 0.000 2.572 34 M HA 0.456 4.936 4.480 0.000 0.000 0.299 34 M C -1.203 175.166 176.300 0.114 0.000 1.205 34 M CA -1.089 54.293 55.300 0.137 0.000 0.876 34 M CB 1.729 34.427 32.600 0.163 0.000 1.728 34 M HN 0.259 nan 8.290 nan 0.000 0.458 35 L N 3.180 124.454 121.223 0.085 0.000 2.295 35 L HA 0.655 4.995 4.340 0.000 0.000 0.285 35 L C -0.866 176.026 176.870 0.037 0.000 1.035 35 L CA -0.577 54.298 54.840 0.058 0.000 0.806 35 L CB 1.292 43.376 42.059 0.041 0.000 1.214 35 L HN 0.671 nan 8.230 nan 0.000 0.426 36 I N 2.125 122.707 120.570 0.020 0.000 2.509 36 I HA 0.693 4.863 4.170 0.000 0.000 0.293 36 I C 0.686 176.840 176.117 0.061 0.000 1.020 36 I CA -0.475 60.793 61.300 -0.054 0.000 1.088 36 I CB 1.863 39.651 38.000 -0.354 0.000 1.267 36 I HN 0.793 nan 8.210 nan 0.000 0.430 37 G N 4.078 112.928 108.800 0.083 0.000 2.782 37 G HA2 -0.160 3.800 3.960 0.000 0.000 0.228 37 G HA3 -0.160 3.800 3.960 0.000 0.000 0.228 37 G C -0.518 174.461 174.900 0.132 0.000 1.372 37 G CA -0.702 44.521 45.100 0.205 0.000 0.862 37 G HN 0.621 nan 8.290 nan 0.000 0.547 38 T N 3.620 118.252 114.554 0.130 0.000 2.890 38 T HA 0.648 4.998 4.350 0.000 0.000 0.295 38 T C -1.932 172.805 174.700 0.062 0.000 0.993 38 T CA -0.202 61.943 62.100 0.076 0.000 0.979 38 T CB 2.540 71.443 68.868 0.059 0.000 0.967 38 T HN 0.691 nan 8.240 nan 0.000 0.441 39 P HA 0.285 nan 4.420 nan 0.000 0.274 39 P C -2.881 174.456 177.300 0.061 0.000 1.264 39 P CA -1.446 61.678 63.100 0.040 0.000 0.795 39 P CB -0.490 31.224 31.700 0.024 0.000 1.064 40 P HA 0.268 nan 4.420 nan 0.000 0.279 40 P C -0.675 176.667 177.300 0.071 0.000 1.239 40 P CA 0.198 63.335 63.100 0.061 0.000 0.789 40 P CB 0.380 32.103 31.700 0.039 0.000 0.933 41 Q N 1.622 121.484 119.800 0.104 0.000 2.333 41 Q HA 0.285 4.625 4.340 0.000 0.000 0.268 41 Q C -0.365 175.686 176.000 0.085 0.000 1.007 41 Q CA -0.859 55.008 55.803 0.107 0.000 0.810 41 Q CB 2.214 31.083 28.738 0.217 0.000 1.264 41 Q HN 0.274 nan 8.270 nan 0.000 0.452 42 K N 4.088 124.524 120.400 0.060 0.000 2.349 42 K HA 0.315 4.636 4.320 0.000 0.000 0.288 42 K C -1.028 175.613 176.600 0.069 0.000 1.058 42 K CA 0.107 56.431 56.287 0.062 0.000 0.953 42 K CB 0.369 32.899 32.500 0.050 0.000 0.997 42 K HN 0.525 nan 8.250 nan 0.000 0.477 43 L N 3.108 124.384 121.223 0.089 0.000 2.333 43 L HA 0.361 4.701 4.340 0.000 0.000 0.263 43 L C -0.634 176.317 176.870 0.136 0.000 1.014 43 L CA -1.256 53.645 54.840 0.102 0.000 0.820 43 L CB 2.199 44.318 42.059 0.099 0.000 1.352 43 L HN 0.545 nan 8.230 nan 0.000 0.421 44 Q N 2.940 122.826 119.800 0.143 0.000 2.425 44 Q HA 0.460 4.800 4.340 0.000 0.000 0.254 44 Q C -0.815 175.330 176.000 0.243 0.000 1.032 44 Q CA -0.591 55.324 55.803 0.187 0.000 0.798 44 Q CB 2.082 30.841 28.738 0.036 0.000 1.210 44 Q HN 0.316 nan 8.270 nan 0.000 0.491 45 I N 2.935 123.651 120.570 0.244 0.000 2.365 45 I HA 0.198 4.368 4.170 0.000 0.000 0.291 45 I C 0.321 176.501 176.117 0.104 0.000 1.004 45 I CA -1.140 60.272 61.300 0.187 0.000 1.311 45 I CB 0.680 38.768 38.000 0.148 0.000 1.401 45 I HN 0.417 nan 8.210 nan 0.000 0.491 46 L N 8.049 129.205 121.223 -0.112 0.000 2.313 46 L HA 0.281 4.621 4.340 0.000 0.000 0.282 46 L C -0.190 176.535 176.870 -0.242 0.000 1.092 46 L CA 0.034 54.646 54.840 -0.380 0.000 0.831 46 L CB 0.921 42.277 42.059 -1.172 0.000 1.159 46 L HN 0.300 nan 8.230 nan 0.000 0.442 47 V N 5.338 125.163 119.914 -0.148 0.000 2.415 47 V HA 0.180 4.301 4.120 0.000 0.000 0.267 47 V C -0.261 175.742 176.094 -0.152 0.000 1.042 47 V CA -0.148 62.063 62.300 -0.148 0.000 1.000 47 V CB 0.721 32.484 31.823 -0.099 0.000 1.015 47 V HN 0.840 nan 8.190 nan 0.000 0.478 48 D N 3.271 123.576 120.400 -0.160 0.000 2.454 48 D HA 0.237 4.877 4.640 0.000 0.000 0.247 48 D C 1.082 177.336 176.300 -0.076 0.000 1.129 48 D CA -0.190 53.743 54.000 -0.111 0.000 0.877 48 D CB 1.704 42.442 40.800 -0.103 0.000 1.082 48 D HN 0.565 nan 8.370 nan 0.000 0.537 49 T N 0.014 114.530 114.554 -0.064 0.000 3.160 49 T HA 0.134 4.485 4.350 0.000 0.000 0.257 49 T C 1.497 176.286 174.700 0.149 0.000 1.147 49 T CA 0.260 62.350 62.100 -0.015 0.000 1.064 49 T CB 0.137 68.895 68.868 -0.182 0.000 0.949 49 T HN 0.310 nan 8.240 nan 0.000 0.526 50 G N 0.786 109.657 108.800 0.119 0.000 3.284 50 G HA2 0.458 4.418 3.960 0.000 0.000 0.236 50 G HA3 0.458 4.418 3.960 0.000 0.000 0.236 50 G C 0.239 175.288 174.900 0.248 0.000 1.158 50 G CA 0.109 45.326 45.100 0.195 0.000 0.774 50 G HN 0.821 nan 8.290 nan 0.000 0.545 51 S N -1.909 113.898 115.700 0.177 0.000 2.661 51 S HA 0.588 5.058 4.470 0.000 0.000 0.268 51 S C -0.420 174.254 174.600 0.123 0.000 1.162 51 S CA -0.335 57.981 58.200 0.194 0.000 0.817 51 S CB 1.488 64.921 63.200 0.389 0.000 1.141 51 S HN 0.018 nan 8.310 nan 0.000 0.477 52 S N 0.751 116.529 115.700 0.131 0.000 2.835 52 S HA 0.466 4.936 4.470 0.000 0.000 0.248 52 S C -0.861 173.850 174.600 0.185 0.000 1.070 52 S CA -0.543 57.727 58.200 0.118 0.000 1.090 52 S CB -0.643 62.602 63.200 0.074 0.000 0.978 52 S HN 0.620 nan 8.310 nan 0.000 0.510 53 N N 0.976 119.837 118.700 0.269 0.000 2.240 53 N HA 0.515 5.255 4.740 0.000 0.000 0.302 53 N C -1.602 174.144 175.510 0.394 0.000 1.106 53 N CA -0.517 52.744 53.050 0.352 0.000 0.778 53 N CB 1.531 40.297 38.487 0.465 0.000 1.431 53 N HN 0.329 nan 8.380 nan 0.000 0.479 54 F N 1.651 121.699 119.950 0.164 0.000 2.404 54 F HA 0.743 5.270 4.527 0.000 0.000 0.354 54 F C -0.524 175.277 175.800 0.001 0.000 1.122 54 F CA -0.590 57.458 58.000 0.080 0.000 1.080 54 F CB 0.520 39.618 39.000 0.162 0.000 1.131 54 F HN 0.509 nan 8.300 nan 0.000 0.471 55 A N 5.808 128.513 122.820 -0.191 0.000 2.520 55 A HA 0.693 5.013 4.320 0.000 0.000 0.298 55 A C -1.556 175.773 177.584 -0.426 0.000 1.051 55 A CA -0.494 51.219 52.037 -0.541 0.000 0.690 55 A CB 1.614 19.939 19.000 -1.124 0.000 1.281 55 A HN 0.973 nan 8.150 nan 0.000 0.402 56 V N -1.021 118.679 119.914 -0.357 0.000 3.102 56 V HA 0.956 5.076 4.120 0.000 0.000 0.312 56 V C 0.338 176.467 176.094 0.058 0.000 1.135 56 V CA -0.542 61.705 62.300 -0.089 0.000 1.022 56 V CB 1.326 33.074 31.823 -0.125 0.000 1.056 56 V HN 2.283 nan 8.190 nan 0.000 0.436 57 A N 1.350 124.304 122.820 0.222 0.000 2.520 57 A HA 0.556 4.876 4.320 0.000 0.000 0.245 57 A C 1.237 178.945 177.584 0.207 0.000 1.072 57 A CA 0.492 52.660 52.037 0.218 0.000 0.761 57 A CB 0.036 19.099 19.000 0.104 0.000 1.004 57 A HN 2.041 nan 8.150 nan 0.000 0.499 58 G N 1.042 109.916 108.800 0.124 0.000 3.159 58 G HA2 0.404 4.364 3.960 0.000 0.000 0.232 58 G HA3 0.404 4.364 3.960 0.000 0.000 0.232 58 G C 0.509 175.302 174.900 -0.179 0.000 1.116 58 G CA 0.920 46.086 45.100 0.110 0.000 0.767 58 G HN 1.292 nan 8.290 nan 0.000 0.547 59 T N -2.917 111.410 114.554 -0.378 0.000 2.816 59 T HA 0.626 4.976 4.350 0.000 0.000 0.299 59 T C -3.466 170.838 174.700 -0.660 0.000 1.230 59 T CA -1.626 60.036 62.100 -0.729 0.000 1.007 59 T CB 2.384 71.107 68.868 -0.242 0.000 1.289 59 T HN -0.182 nan 8.240 nan 0.000 0.508 60 P HA 0.543 nan 4.420 nan 0.000 0.272 60 P C -1.088 176.189 177.300 -0.038 0.000 1.230 60 P CA 0.106 63.134 63.100 -0.119 0.000 0.788 60 P CB 0.228 31.905 31.700 -0.038 0.000 0.949 61 H N -0.919 118.045 119.070 -0.177 0.000 3.079 61 H HA 0.240 4.796 4.556 0.000 0.000 0.356 61 H C 0.946 176.116 175.328 -0.262 0.000 1.221 61 H CA -0.293 55.632 56.048 -0.206 0.000 1.185 61 H CB 0.918 30.521 29.762 -0.264 0.000 1.882 61 H HN 0.152 nan 8.280 nan 0.000 0.543 62 S N 1.705 116.806 115.700 -0.999 0.000 2.434 62 S HA -0.294 4.176 4.470 0.000 0.000 0.250 62 S C 0.744 174.796 174.600 -0.913 0.000 1.102 62 S CA 2.361 59.989 58.200 -0.953 0.000 1.104 62 S CB -0.338 62.146 63.200 -1.194 0.000 0.957 62 S HN 0.631 nan 8.310 nan 0.000 0.456 63 Y N 0.401 120.620 120.300 -0.134 0.000 2.612 63 Y HA 0.477 5.027 4.550 0.000 0.000 0.250 63 Y C 0.417 176.197 175.900 -0.201 0.000 1.175 63 Y CA -0.786 57.234 58.100 -0.134 0.000 1.205 63 Y CB 0.163 38.566 38.460 -0.095 0.000 1.201 63 Y HN 0.257 nan 8.280 nan 0.000 0.532 64 I N -2.186 118.288 120.570 -0.159 0.000 2.693 64 I HA 0.467 4.637 4.170 0.000 0.000 0.303 64 I C 0.088 176.137 176.117 -0.113 0.000 1.025 64 I CA -0.814 60.373 61.300 -0.187 0.000 1.086 64 I CB 2.206 40.014 38.000 -0.320 0.000 1.268 64 I HN -0.031 nan 8.210 nan 0.000 0.440 65 D N 2.020 122.370 120.400 -0.083 0.000 2.440 65 D HA 0.163 4.803 4.640 0.000 0.000 0.216 65 D C 0.227 176.503 176.300 -0.039 0.000 1.150 65 D CA 0.017 53.986 54.000 -0.053 0.000 0.832 65 D CB 0.716 41.484 40.800 -0.052 0.000 0.992 65 D HN 0.690 nan 8.370 nan 0.000 0.502 66 T N -0.610 113.929 114.554 -0.025 0.000 2.775 66 T HA 0.488 4.838 4.350 0.000 0.000 0.320 66 T C -2.217 172.505 174.700 0.037 0.000 1.597 66 T CA -0.730 61.335 62.100 -0.059 0.000 1.022 66 T CB 1.067 69.886 68.868 -0.081 0.000 1.485 66 T HN 0.192 nan 8.240 nan 0.000 0.494 67 Y N 0.419 120.717 120.300 -0.004 0.000 2.689 67 Y HA 0.805 5.356 4.550 0.000 0.000 0.333 67 Y C -1.827 174.128 175.900 0.092 0.000 1.208 67 Y CA -1.956 56.161 58.100 0.030 0.000 1.055 67 Y CB 0.606 39.063 38.460 -0.004 0.000 1.304 67 Y HN 0.621 nan 8.280 nan 0.000 0.455 68 F N 3.172 123.211 119.950 0.150 0.000 2.424 68 F HA 0.371 4.899 4.527 0.000 0.000 0.356 68 F C -0.190 175.688 175.800 0.129 0.000 1.110 68 F CA -0.747 57.276 58.000 0.037 0.000 1.161 68 F CB 0.605 39.606 39.000 0.001 0.000 1.115 68 F HN 0.638 nan 8.300 nan 0.000 0.507 69 D N 4.887 124.935 120.400 -0.585 0.000 2.428 69 D HA 0.071 4.712 4.640 0.000 0.000 0.221 69 D C 1.254 176.974 176.300 -0.966 0.000 1.123 69 D CA 0.115 53.822 54.000 -0.487 0.000 0.869 69 D CB 1.261 41.907 40.800 -0.258 0.000 1.032 69 D HN 0.752 nan 8.370 nan 0.000 0.506 70 T N 0.793 114.740 114.554 -1.012 0.000 2.803 70 T HA -0.184 4.166 4.350 0.000 0.000 0.269 70 T C 1.371 175.727 174.700 -0.572 0.000 1.052 70 T CA 0.915 62.392 62.100 -1.040 0.000 1.136 70 T CB -0.082 68.065 68.868 -1.201 0.000 0.864 70 T HN 0.416 nan 8.240 nan 0.000 0.467 71 E N 0.890 120.853 120.200 -0.395 0.000 2.401 71 E HA -0.038 4.312 4.350 0.000 0.000 0.199 71 E C 1.957 178.455 176.600 -0.170 0.000 1.023 71 E CA 0.457 56.721 56.400 -0.226 0.000 0.859 71 E CB -0.001 29.597 29.700 -0.171 0.000 0.780 71 E HN 0.572 nan 8.360 nan 0.000 0.523 72 R N -0.069 120.303 120.500 -0.213 0.000 2.393 72 R HA 0.125 4.465 4.340 0.000 0.000 0.244 72 R C 0.380 176.635 176.300 -0.075 0.000 0.920 72 R CA -0.042 55.980 56.100 -0.131 0.000 1.076 72 R CB 0.737 30.956 30.300 -0.135 0.000 1.119 72 R HN -0.171 nan 8.270 nan 0.000 0.524 73 S N 0.618 116.280 115.700 -0.063 0.000 2.566 73 S HA 0.103 4.573 4.470 0.000 0.000 0.324 73 S C 1.047 175.704 174.600 0.095 0.000 1.081 73 S CA -0.692 57.548 58.200 0.066 0.000 1.105 73 S CB 1.267 64.592 63.200 0.208 0.000 0.981 73 S HN 0.296 nan 8.310 nan 0.000 0.464 74 S N 2.936 118.680 115.700 0.072 0.000 2.507 74 S HA -0.087 4.383 4.470 0.000 0.000 0.235 74 S C 1.411 176.061 174.600 0.083 0.000 0.988 74 S CA 1.100 59.338 58.200 0.064 0.000 0.944 74 S CB -0.704 62.519 63.200 0.039 0.000 0.762 74 S HN 0.852 nan 8.310 nan 0.000 0.526 75 T N -2.684 111.939 114.554 0.115 0.000 3.086 75 T HA 0.237 4.587 4.350 0.000 0.000 0.250 75 T C 0.113 174.897 174.700 0.140 0.000 1.074 75 T CA -0.581 61.581 62.100 0.103 0.000 0.988 75 T CB -0.601 68.318 68.868 0.086 0.000 0.988 75 T HN 0.430 nan 8.240 nan 0.000 0.530 76 Y N 3.257 123.602 120.300 0.076 0.000 2.335 76 Y HA 0.514 5.064 4.550 0.000 0.000 0.331 76 Y C -0.162 175.763 175.900 0.043 0.000 1.094 76 Y CA -1.109 57.046 58.100 0.091 0.000 1.253 76 Y CB 0.519 39.052 38.460 0.122 0.000 1.203 76 Y HN -0.061 nan 8.280 nan 0.000 0.508 77 R N 3.981 124.101 120.500 -0.633 0.000 2.621 77 R HA 0.285 4.625 4.340 0.000 0.000 0.292 77 R C -0.821 175.028 176.300 -0.752 0.000 0.969 77 R CA -0.969 54.863 56.100 -0.447 0.000 0.887 77 R CB 1.681 31.842 30.300 -0.231 0.000 1.180 77 R HN 0.692 nan 8.270 nan 0.000 0.450 78 S N 0.959 116.433 115.700 -0.377 0.000 2.545 78 S HA 0.167 4.637 4.470 0.000 0.000 0.275 78 S C 0.778 175.271 174.600 -0.177 0.000 1.299 78 S CA -0.346 57.719 58.200 -0.225 0.000 1.048 78 S CB 0.704 63.907 63.200 0.006 0.000 0.938 78 S HN 0.549 nan 8.310 nan 0.000 0.496 79 K N 2.766 123.041 120.400 -0.208 0.000 2.426 79 K HA 0.214 4.534 4.320 0.000 0.000 0.193 79 K C 1.311 177.823 176.600 -0.146 0.000 1.028 79 K CA 0.642 56.802 56.287 -0.213 0.000 1.047 79 K CB -0.067 32.216 32.500 -0.362 0.000 0.821 79 K HN 1.000 nan 8.250 nan 0.000 0.513 80 G N 0.819 109.564 108.800 -0.091 0.000 2.175 80 G HA2 -0.254 3.706 3.960 0.000 0.000 0.244 80 G HA3 -0.254 3.706 3.960 0.000 0.000 0.244 80 G C -0.067 174.956 174.900 0.205 0.000 0.982 80 G CA 0.438 45.581 45.100 0.073 0.000 0.641 80 G HN 0.323 nan 8.290 nan 0.000 0.527 81 F N -0.708 119.334 119.950 0.153 0.000 2.662 81 F HA 0.834 5.361 4.527 0.000 0.000 0.312 81 F C -0.806 175.111 175.800 0.194 0.000 1.113 81 F CA -2.045 56.045 58.000 0.150 0.000 0.951 81 F CB 0.687 39.749 39.000 0.102 0.000 1.344 81 F HN -0.103 nan 8.300 nan 0.000 0.462 82 D N 0.787 121.445 120.400 0.430 0.000 2.332 82 D HA 0.625 5.265 4.640 0.000 0.000 0.252 82 D C -1.064 175.456 176.300 0.366 0.000 1.050 82 D CA -0.329 53.858 54.000 0.312 0.000 0.970 82 D CB 2.341 43.274 40.800 0.222 0.000 1.141 82 D HN 0.589 nan 8.370 nan 0.000 0.485 83 V N -0.220 119.851 119.914 0.262 0.000 2.971 83 V HA 0.637 4.757 4.120 0.000 0.000 0.309 83 V C -1.277 174.831 176.094 0.024 0.000 1.130 83 V CA -0.322 62.094 62.300 0.193 0.000 0.964 83 V CB 2.401 34.400 31.823 0.293 0.000 1.029 83 V HN 0.589 nan 8.190 nan 0.000 0.427 84 T N 4.357 118.813 114.554 -0.163 0.000 2.928 84 T HA 0.689 5.039 4.350 0.000 0.000 0.296 84 T C -1.604 172.715 174.700 -0.635 0.000 1.000 84 T CA -0.292 61.557 62.100 -0.418 0.000 0.989 84 T CB 1.241 69.937 68.868 -0.287 0.000 1.005 84 T HN 0.623 nan 8.240 nan 0.000 0.442 85 V N 5.761 124.967 119.914 -1.181 0.000 2.555 85 V HA 0.608 4.728 4.120 0.000 0.000 0.302 85 V C -0.087 175.373 176.094 -1.056 0.000 1.038 85 V CA -0.854 60.765 62.300 -1.135 0.000 0.887 85 V CB 1.889 32.842 31.823 -1.449 0.000 0.991 85 V HN 0.819 nan 8.190 nan 0.000 0.434 86 K N 4.167 124.137 120.400 -0.716 0.000 2.394 86 K HA 0.510 4.830 4.320 0.000 0.000 0.260 86 K C -1.308 175.053 176.600 -0.400 0.000 0.967 86 K CA -0.475 55.520 56.287 -0.487 0.000 0.855 86 K CB 1.013 33.358 32.500 -0.258 0.000 1.101 86 K HN 0.559 nan 8.250 nan 0.000 0.433 87 Y N 0.920 121.175 120.300 -0.075 0.000 2.378 87 Y HA 0.085 4.635 4.550 0.000 0.000 0.351 87 Y C 2.176 178.075 175.900 -0.001 0.000 1.351 87 Y CA -0.345 57.754 58.100 -0.001 0.000 1.616 87 Y CB 0.219 38.720 38.460 0.069 0.000 1.622 87 Y HN 0.583 nan 8.280 nan 0.000 0.568 88 T N -0.153 114.518 114.554 0.196 0.000 2.699 88 T HA -0.185 4.165 4.350 0.000 0.000 0.268 88 T C 0.066 174.815 174.700 0.081 0.000 1.036 88 T CA 1.603 63.753 62.100 0.084 0.000 1.147 88 T CB -0.248 68.647 68.868 0.044 0.000 0.862 88 T HN 0.400 nan 8.240 nan 0.000 0.446 89 Q N -0.907 118.967 119.800 0.123 0.000 2.296 89 Q HA 0.497 4.837 4.340 0.000 0.000 0.254 89 Q C -0.555 175.545 176.000 0.167 0.000 0.936 89 Q CA -0.401 55.465 55.803 0.106 0.000 0.834 89 Q CB 2.352 31.130 28.738 0.065 0.000 1.340 89 Q HN 0.481 nan 8.270 nan 0.000 0.428 90 G N 1.295 110.198 108.800 0.173 0.000 2.515 90 G HA2 0.193 4.153 3.960 0.000 0.000 0.686 90 G HA3 0.193 4.153 3.960 0.000 0.000 0.686 90 G C -0.958 174.088 174.900 0.243 0.000 1.274 90 G CA -0.340 44.910 45.100 0.249 0.000 0.874 90 G HN 1.044 nan 8.290 nan 0.000 0.631 91 S N -0.404 115.399 115.700 0.172 0.000 2.595 91 S HA 0.869 5.339 4.470 0.000 0.000 0.270 91 S C -0.928 173.561 174.600 -0.185 0.000 1.145 91 S CA -0.028 58.091 58.200 -0.136 0.000 0.825 91 S CB 1.644 64.718 63.200 -0.210 0.000 1.107 91 S HN 2.426 nan 8.310 nan 0.000 0.461 92 W N -0.331 120.771 121.300 -0.331 0.000 3.042 92 W HA 0.747 5.407 4.660 0.000 0.000 0.342 92 W C -1.896 174.380 176.519 -0.404 0.000 1.240 92 W CA -1.023 56.064 57.345 -0.430 0.000 1.166 92 W CB 0.909 29.961 29.460 -0.679 0.000 1.469 92 W HN 0.742 nan 8.180 nan 0.000 0.579 93 T N 1.179 115.696 114.554 -0.061 0.000 2.921 93 T HA 0.696 5.046 4.350 0.000 0.000 0.297 93 T C -0.273 174.102 174.700 -0.542 0.000 1.013 93 T CA -0.397 61.521 62.100 -0.304 0.000 0.990 93 T CB 1.975 70.490 68.868 -0.589 0.000 1.023 93 T HN 0.895 nan 8.240 nan 0.000 0.447 94 G N 1.049 109.767 108.800 -0.138 0.000 2.682 94 G HA2 0.674 4.634 3.960 0.000 0.000 0.290 94 G HA3 0.674 4.634 3.960 0.000 0.000 0.290 94 G C -1.673 173.328 174.900 0.168 0.000 1.425 94 G CA -0.857 44.222 45.100 -0.035 0.000 0.807 94 G HN 0.515 nan 8.290 nan 0.000 0.482 95 F N 0.160 120.348 119.950 0.396 0.000 2.396 95 F HA 0.490 5.017 4.527 0.000 0.000 0.343 95 F C 0.760 176.640 175.800 0.133 0.000 1.104 95 F CA -0.667 57.478 58.000 0.241 0.000 1.161 95 F CB 1.687 40.794 39.000 0.178 0.000 1.146 95 F HN 0.077 nan 8.300 nan 0.000 0.522 96 V N 2.651 122.642 119.914 0.128 0.000 2.498 96 V HA 0.774 4.894 4.120 0.000 0.000 0.279 96 V C 0.464 176.506 176.094 -0.087 0.000 1.048 96 V CA -0.087 62.177 62.300 -0.060 0.000 0.967 96 V CB 0.809 32.367 31.823 -0.443 0.000 0.988 96 V HN 0.992 nan 8.190 nan 0.000 0.473 97 G N 3.955 112.762 108.800 0.011 0.000 2.749 97 G HA2 0.691 4.652 3.960 0.000 0.000 0.300 97 G HA3 0.691 4.652 3.960 0.000 0.000 0.300 97 G C -1.493 173.339 174.900 -0.113 0.000 1.352 97 G CA -0.545 44.475 45.100 -0.133 0.000 0.789 97 G HN 0.541 nan 8.290 nan 0.000 0.509 98 E N -0.516 119.513 120.200 -0.284 0.000 2.336 98 E HA 0.608 4.958 4.350 0.000 0.000 0.267 98 E C -1.653 174.912 176.600 -0.058 0.000 0.906 98 E CA -0.732 55.604 56.400 -0.107 0.000 0.781 98 E CB 2.983 32.618 29.700 -0.108 0.000 1.261 98 E HN 0.367 nan 8.360 nan 0.000 0.436 99 D N 0.526 120.961 120.400 0.058 0.000 2.798 99 D HA 0.207 4.847 4.640 0.000 0.000 0.265 99 D C -1.439 174.907 176.300 0.078 0.000 1.223 99 D CA -0.507 53.559 54.000 0.109 0.000 0.743 99 D CB 1.263 42.208 40.800 0.241 0.000 1.276 99 D HN 0.283 nan 8.370 nan 0.000 0.421 100 L N 0.990 122.245 121.223 0.053 0.000 2.371 100 L HA 0.557 4.897 4.340 0.000 0.000 0.272 100 L C 0.034 176.882 176.870 -0.037 0.000 1.124 100 L CA -0.572 54.261 54.840 -0.011 0.000 0.816 100 L CB 1.269 43.313 42.059 -0.026 0.000 1.129 100 L HN 0.096 nan 8.230 nan 0.000 0.448 101 V N 1.451 121.274 119.914 -0.151 0.000 2.823 101 V HA 0.552 4.672 4.120 0.000 0.000 0.312 101 V C -0.259 175.553 176.094 -0.470 0.000 1.072 101 V CA -0.497 61.714 62.300 -0.148 0.000 0.937 101 V CB 2.355 34.235 31.823 0.095 0.000 1.013 101 V HN 0.772 nan 8.190 nan 0.000 0.430 102 T N 4.463 118.874 114.554 -0.240 0.000 2.928 102 T HA 0.571 4.921 4.350 0.000 0.000 0.296 102 T C -0.520 174.172 174.700 -0.012 0.000 1.000 102 T CA -0.165 61.795 62.100 -0.233 0.000 0.989 102 T CB 1.064 69.864 68.868 -0.113 0.000 1.005 102 T HN 0.420 nan 8.240 nan 0.000 0.442 103 I N 5.732 126.367 120.570 0.109 0.000 2.310 103 I HA 0.217 4.387 4.170 0.000 0.000 0.287 103 I C -1.593 174.655 176.117 0.219 0.000 1.073 103 I CA -2.428 59.017 61.300 0.242 0.000 1.216 103 I CB 1.496 39.753 38.000 0.428 0.000 1.415 103 I HN 0.378 nan 8.210 nan 0.000 0.480 104 P HA -0.236 nan 4.420 nan 0.000 0.214 104 P C -0.208 177.158 177.300 0.110 0.000 1.099 104 P CA 1.668 64.832 63.100 0.106 0.000 0.976 104 P CB 0.077 31.831 31.700 0.091 0.000 0.774 105 K N -0.003 120.462 120.400 0.109 0.000 2.262 105 K HA 0.429 4.749 4.320 0.000 0.000 0.288 105 K C 0.866 177.521 176.600 0.091 0.000 1.090 105 K CA 0.379 56.714 56.287 0.080 0.000 0.918 105 K CB 0.098 32.638 32.500 0.067 0.000 1.139 105 K HN 0.330 nan 8.250 nan 0.000 0.462 106 G N 3.071 111.886 108.800 0.025 0.000 3.145 106 G HA2 -0.148 3.813 3.960 0.000 0.000 0.195 106 G HA3 -0.148 3.813 3.960 0.000 0.000 0.195 106 G C -0.990 173.706 174.900 -0.339 0.000 2.278 106 G CA -0.764 44.240 45.100 -0.160 0.000 1.441 106 G HN 0.371 nan 8.290 nan 0.000 0.452 107 F N 2.012 122.051 119.950 0.148 0.000 2.460 107 F HA 0.613 5.140 4.527 0.000 0.000 0.341 107 F C 0.238 176.102 175.800 0.108 0.000 1.130 107 F CA -1.065 57.039 58.000 0.173 0.000 0.962 107 F CB 1.925 41.133 39.000 0.347 0.000 1.171 107 F HN 0.080 nan 8.300 nan 0.000 0.436 108 N N 0.316 119.141 118.700 0.209 0.000 2.251 108 N HA 0.104 4.845 4.740 0.000 0.000 0.217 108 N C -0.477 175.077 175.510 0.073 0.000 1.124 108 N CA 0.041 53.157 53.050 0.110 0.000 0.843 108 N CB 0.615 39.144 38.487 0.069 0.000 1.024 108 N HN 0.394 nan 8.380 nan 0.000 0.501 109 T N 0.721 115.342 114.554 0.112 0.000 3.053 109 T HA 0.195 4.546 4.350 0.000 0.000 0.363 109 T C -0.044 174.632 174.700 -0.039 0.000 1.239 109 T CA -0.759 61.380 62.100 0.064 0.000 1.071 109 T CB 0.287 69.230 68.868 0.125 0.000 1.089 109 T HN 0.230 nan 8.240 nan 0.000 0.527 110 S N 3.176 118.756 115.700 -0.200 0.000 2.571 110 S HA 0.239 4.709 4.470 0.000 0.000 0.298 110 S C -0.138 174.235 174.600 -0.379 0.000 1.280 110 S CA -0.231 57.691 58.200 -0.464 0.000 1.052 110 S CB -0.401 62.647 63.200 -0.254 0.000 0.799 110 S HN 0.527 nan 8.310 nan 0.000 0.501 111 F N -0.325 119.580 119.950 -0.076 0.000 2.603 111 F HA 0.706 5.233 4.527 0.000 0.000 0.317 111 F C -0.744 174.981 175.800 -0.125 0.000 1.066 111 F CA -1.985 55.940 58.000 -0.125 0.000 0.941 111 F CB 0.680 39.548 39.000 -0.219 0.000 1.291 111 F HN 0.477 nan 8.300 nan 0.000 0.472 112 L N 3.642 124.930 121.223 0.108 0.000 2.313 112 L HA 0.693 5.034 4.340 0.000 0.000 0.282 112 L C -0.375 176.508 176.870 0.022 0.000 1.092 112 L CA -0.352 54.515 54.840 0.045 0.000 0.831 112 L CB 0.734 42.804 42.059 0.018 0.000 1.159 112 L HN 0.705 nan 8.230 nan 0.000 0.442 113 V N 2.313 122.257 119.914 0.049 0.000 3.040 113 V HA 0.668 4.788 4.120 0.000 0.000 0.312 113 V C -0.191 175.990 176.094 0.145 0.000 1.115 113 V CA -1.136 61.193 62.300 0.047 0.000 0.998 113 V CB 1.889 33.719 31.823 0.011 0.000 1.042 113 V HN 0.702 nan 8.190 nan 0.000 0.433 114 N N 1.744 120.543 118.700 0.165 0.000 2.444 114 N HA 0.585 5.325 4.740 0.000 0.000 0.255 114 N C -0.738 174.940 175.510 0.279 0.000 1.255 114 N CA 0.037 53.192 53.050 0.174 0.000 0.933 114 N CB 1.777 40.367 38.487 0.171 0.000 1.143 114 N HN 0.969 nan 8.380 nan 0.000 0.453 115 I N -0.216 120.465 120.570 0.184 0.000 2.685 115 I HA 0.359 4.529 4.170 0.000 0.000 0.289 115 I C -1.362 174.797 176.117 0.070 0.000 1.292 115 I CA -0.638 60.717 61.300 0.092 0.000 1.050 115 I CB 1.462 39.462 38.000 0.001 0.000 1.301 115 I HN 0.500 nan 8.210 nan 0.000 0.425 116 A N 4.656 127.459 122.820 -0.028 0.000 2.274 116 A HA 0.714 5.034 4.320 0.000 0.000 0.309 116 A C -0.348 177.171 177.584 -0.108 0.000 1.226 116 A CA -0.275 51.749 52.037 -0.020 0.000 0.853 116 A CB 0.588 19.532 19.000 -0.094 0.000 1.146 116 A HN 0.638 nan 8.150 nan 0.000 0.518 117 T N 4.043 118.657 114.554 0.100 0.000 2.801 117 T HA 0.369 4.719 4.350 0.000 0.000 0.306 117 T C 0.151 174.943 174.700 0.152 0.000 1.020 117 T CA 0.015 62.214 62.100 0.165 0.000 0.948 117 T CB -0.051 69.022 68.868 0.341 0.000 0.962 117 T HN 0.475 nan 8.240 nan 0.000 0.465 118 I N 4.796 125.337 120.570 -0.048 0.000 2.581 118 I HA 0.059 4.229 4.170 0.000 0.000 0.285 118 I C 0.870 177.025 176.117 0.062 0.000 1.129 118 I CA 0.096 61.337 61.300 -0.098 0.000 1.397 118 I CB 0.127 38.024 38.000 -0.171 0.000 1.399 118 I HN 0.725 nan 8.210 nan 0.000 0.537 119 F N 3.668 123.629 119.950 0.018 0.000 2.682 119 F HA 0.477 5.004 4.527 0.000 0.000 0.308 119 F C 0.367 176.182 175.800 0.024 0.000 1.093 119 F CA -0.316 57.702 58.000 0.030 0.000 1.244 119 F CB 0.299 39.322 39.000 0.038 0.000 1.052 119 F HN 0.342 nan 8.300 nan 0.000 0.573 120 E N 1.672 121.674 120.200 -0.330 0.000 2.397 120 E HA 0.372 4.722 4.350 0.000 0.000 0.293 120 E C -1.708 174.815 176.600 -0.128 0.000 0.930 120 E CA -0.095 56.199 56.400 -0.177 0.000 0.793 120 E CB 2.082 31.630 29.700 -0.253 0.000 1.259 120 E HN 0.271 nan 8.360 nan 0.000 0.406 121 S N 2.954 118.650 115.700 -0.007 0.000 2.618 121 S HA 0.792 5.262 4.470 0.000 0.000 0.277 121 S C -0.893 173.766 174.600 0.098 0.000 1.138 121 S CA -0.829 57.388 58.200 0.029 0.000 0.844 121 S CB 2.496 65.715 63.200 0.032 0.000 1.127 121 S HN 0.367 nan 8.310 nan 0.000 0.474 122 E N 0.646 120.922 120.200 0.127 0.000 2.287 122 E HA 0.476 4.826 4.350 0.000 0.000 0.274 122 E C -0.889 175.826 176.600 0.192 0.000 0.896 122 E CA -0.236 56.255 56.400 0.151 0.000 0.788 122 E CB 0.846 30.599 29.700 0.088 0.000 1.244 122 E HN 0.666 nan 8.360 nan 0.000 0.408 123 N N 2.779 121.608 118.700 0.216 0.000 2.708 123 N HA -0.261 4.479 4.740 0.000 0.000 0.249 123 N C -0.119 175.527 175.510 0.226 0.000 1.097 123 N CA 0.857 54.025 53.050 0.196 0.000 0.710 123 N CB -0.842 37.729 38.487 0.141 0.000 1.032 123 N HN 0.453 nan 8.380 nan 0.000 0.551 124 F N -0.067 119.920 119.950 0.061 0.000 2.390 124 F HA 0.302 4.829 4.527 0.000 0.000 0.281 124 F C 0.551 176.303 175.800 -0.079 0.000 1.016 124 F CA 0.367 58.338 58.000 -0.048 0.000 1.286 124 F CB 0.089 38.960 39.000 -0.215 0.000 1.134 124 F HN -0.056 nan 8.300 nan 0.000 0.597 125 F N 2.848 122.891 119.950 0.155 0.000 2.424 125 F HA 0.392 4.919 4.527 0.000 0.000 0.356 125 F C -0.121 175.684 175.800 0.008 0.000 1.110 125 F CA -0.495 57.471 58.000 -0.057 0.000 1.161 125 F CB 0.441 39.519 39.000 0.130 0.000 1.115 125 F HN -0.218 nan 8.300 nan 0.000 0.507 126 L N 4.411 125.571 121.223 -0.105 0.000 2.376 126 L HA 0.548 4.888 4.340 0.000 0.000 0.267 126 L C -2.341 174.066 176.870 -0.772 0.000 1.035 126 L CA -2.429 52.207 54.840 -0.340 0.000 0.800 126 L CB 1.044 42.969 42.059 -0.222 0.000 1.290 126 L HN 0.293 nan 8.230 nan 0.000 0.462 127 P HA 0.130 nan 4.420 nan 0.000 0.271 127 P C 0.490 177.556 177.300 -0.390 0.000 1.216 127 P CA 0.500 63.002 63.100 -0.997 0.000 0.771 127 P CB 0.820 32.123 31.700 -0.662 0.000 0.864 128 G N 2.483 111.157 108.800 -0.209 0.000 2.179 128 G HA2 -0.259 3.701 3.960 0.000 0.000 0.260 128 G HA3 -0.259 3.701 3.960 0.000 0.000 0.260 128 G C 0.292 175.090 174.900 -0.171 0.000 0.977 128 G CA 0.239 45.258 45.100 -0.135 0.000 0.641 128 G HN 0.656 nan 8.290 nan 0.000 0.533 129 I N -2.221 118.170 120.570 -0.298 0.000 2.779 129 I HA 0.554 4.724 4.170 0.000 0.000 0.285 129 I C 1.088 176.937 176.117 -0.446 0.000 1.134 129 I CA -0.262 60.753 61.300 -0.474 0.000 1.398 129 I CB 0.670 37.995 38.000 -1.125 0.000 1.404 129 I HN -0.072 nan 8.210 nan 0.000 0.587 130 K N 4.131 124.271 120.400 -0.433 0.000 2.358 130 K HA 0.180 4.500 4.320 0.000 0.000 0.200 130 K C -0.276 176.007 176.600 -0.529 0.000 1.030 130 K CA -0.132 55.908 56.287 -0.412 0.000 1.097 130 K CB 0.256 32.569 32.500 -0.311 0.000 0.862 130 K HN 0.696 nan 8.250 nan 0.000 0.534 131 W N 1.253 122.283 121.300 -0.449 0.000 2.390 131 W HA 0.302 4.962 4.660 0.000 0.000 0.362 131 W C -0.167 176.329 176.519 -0.039 0.000 1.206 131 W CA -0.675 56.487 57.345 -0.305 0.000 1.355 131 W CB -0.089 29.254 29.460 -0.194 0.000 1.278 131 W HN -0.043 nan 8.180 nan 0.000 0.653 132 N N -0.481 118.488 118.700 0.449 0.000 2.286 132 N HA 0.397 5.137 4.740 0.000 0.000 0.245 132 N C -0.469 175.401 175.510 0.600 0.000 1.363 132 N CA -0.281 53.028 53.050 0.432 0.000 0.822 132 N CB 0.860 39.417 38.487 0.117 0.000 1.345 132 N HN 0.747 nan 8.380 nan 0.000 0.494 133 G N -0.171 109.009 108.800 0.634 0.000 2.646 133 G HA2 0.598 4.558 3.960 0.000 0.000 0.291 133 G HA3 0.598 4.558 3.960 0.000 0.000 0.291 133 G C -2.049 173.001 174.900 0.249 0.000 1.445 133 G CA -0.802 44.521 45.100 0.371 0.000 0.814 133 G HN 0.205 nan 8.290 nan 0.000 0.495 134 I N 0.416 121.088 120.570 0.170 0.000 2.545 134 I HA 0.687 4.857 4.170 0.000 0.000 0.292 134 I C -1.496 174.712 176.117 0.152 0.000 1.040 134 I CA -1.318 60.020 61.300 0.062 0.000 1.068 134 I CB 2.006 40.086 38.000 0.134 0.000 1.251 134 I HN 0.469 nan 8.210 nan 0.000 0.424 135 L N 8.088 129.315 121.223 0.006 0.000 2.295 135 L HA 0.661 5.001 4.340 0.000 0.000 0.281 135 L C -0.078 176.726 176.870 -0.110 0.000 1.018 135 L CA -0.032 54.743 54.840 -0.108 0.000 0.841 135 L CB 0.966 42.783 42.059 -0.403 0.000 1.218 135 L HN 0.625 nan 8.230 nan 0.000 0.424 136 G N 5.514 114.321 108.800 0.012 0.000 2.349 136 G HA2 0.403 4.363 3.960 0.000 0.000 0.281 136 G HA3 0.403 4.363 3.960 0.000 0.000 0.281 136 G C 0.268 175.126 174.900 -0.070 0.000 1.182 136 G CA -0.463 44.652 45.100 0.025 0.000 0.899 136 G HN 0.727 nan 8.290 nan 0.000 0.455 137 L N 2.154 123.288 121.223 -0.148 0.000 2.818 137 L HA 0.283 4.623 4.340 0.000 0.000 0.243 137 L C 1.610 178.429 176.870 -0.085 0.000 1.185 137 L CA -0.305 54.369 54.840 -0.276 0.000 0.988 137 L CB -0.131 41.514 42.059 -0.689 0.000 1.292 137 L HN 0.595 nan 8.230 nan 0.000 0.519 138 A N -0.775 122.007 122.820 -0.062 0.000 2.336 138 A HA 0.426 4.746 4.320 0.000 0.000 0.278 138 A C -0.539 176.869 177.584 -0.292 0.000 1.371 138 A CA -0.127 51.773 52.037 -0.229 0.000 0.842 138 A CB 0.062 18.988 19.000 -0.124 0.000 1.363 138 A HN 0.130 nan 8.150 nan 0.000 0.517 139 Y N -1.630 118.594 120.300 -0.126 0.000 2.298 139 Y HA 0.380 4.930 4.550 0.000 0.000 0.329 139 Y C 1.707 177.609 175.900 0.004 0.000 1.293 139 Y CA 0.356 58.438 58.100 -0.030 0.000 1.388 139 Y CB 0.895 39.332 38.460 -0.037 0.000 1.309 139 Y HN 0.672 nan 8.280 nan 0.000 0.544 140 A N 0.573 123.530 122.820 0.228 0.000 1.908 140 A HA -0.217 4.104 4.320 0.000 0.000 0.218 140 A C 2.097 179.741 177.584 0.100 0.000 1.181 140 A CA 2.391 54.510 52.037 0.137 0.000 0.627 140 A CB -1.466 17.608 19.000 0.123 0.000 0.818 140 A HN 0.938 nan 8.150 nan 0.000 0.445 141 T N 0.551 115.167 114.554 0.103 0.000 2.685 141 T HA -0.217 4.133 4.350 0.000 0.000 0.268 141 T C 1.682 176.407 174.700 0.041 0.000 1.034 141 T CA 1.669 63.805 62.100 0.060 0.000 1.149 141 T CB -0.490 68.412 68.868 0.057 0.000 0.860 141 T HN 0.368 nan 8.240 nan 0.000 0.449 142 L N 0.593 121.832 121.223 0.025 0.000 2.376 142 L HA 0.165 4.505 4.340 0.000 0.000 0.219 142 L C 1.571 178.433 176.870 -0.013 0.000 1.133 142 L CA -0.349 54.461 54.840 -0.050 0.000 0.816 142 L CB -0.607 41.356 42.059 -0.159 0.000 0.933 142 L HN 0.230 nan 8.230 nan 0.000 0.449 143 A N 0.344 123.183 122.820 0.032 0.000 2.498 143 A HA 0.248 4.568 4.320 0.000 0.000 0.239 143 A C -0.003 177.603 177.584 0.035 0.000 1.068 143 A CA 0.145 52.216 52.037 0.058 0.000 0.766 143 A CB 0.226 19.281 19.000 0.092 0.000 1.003 143 A HN 0.027 nan 8.150 nan 0.000 0.497 144 K N 2.433 122.854 120.400 0.036 0.000 2.203 144 K HA 0.489 4.809 4.320 0.000 0.000 0.251 144 K C -1.837 174.816 176.600 0.090 0.000 0.944 144 K CA -2.218 54.074 56.287 0.008 0.000 0.829 144 K CB 1.690 34.139 32.500 -0.084 0.000 1.125 144 K HN 0.358 nan 8.250 nan 0.000 0.430 145 P HA -0.100 nan 4.420 nan 0.000 0.220 145 P C -0.528 176.762 177.300 -0.017 0.000 1.148 145 P CA 0.776 63.876 63.100 0.000 0.000 0.803 145 P CB 0.422 32.090 31.700 -0.054 0.000 0.782 146 S N -2.264 113.443 115.700 0.011 0.000 2.611 146 S HA 0.247 4.717 4.470 0.000 0.000 0.268 146 S C 0.637 175.256 174.600 0.031 0.000 1.156 146 S CA -0.031 58.172 58.200 0.004 0.000 0.817 146 S CB 0.670 63.857 63.200 -0.021 0.000 1.122 146 S HN 0.025 nan 8.310 nan 0.000 0.466 147 S N 0.267 115.982 115.700 0.025 0.000 2.571 147 S HA -0.073 4.397 4.470 0.000 0.000 0.245 147 S C 1.324 175.951 174.600 0.046 0.000 0.976 147 S CA 1.025 59.248 58.200 0.040 0.000 0.954 147 S CB -1.102 62.115 63.200 0.028 0.000 0.756 147 S HN 1.389 nan 8.310 nan 0.000 0.535 148 S N -0.120 115.606 115.700 0.044 0.000 2.524 148 S HA 0.308 4.778 4.470 0.000 0.000 0.215 148 S C 0.312 174.962 174.600 0.082 0.000 0.986 148 S CA -0.556 57.674 58.200 0.050 0.000 0.911 148 S CB -0.349 62.870 63.200 0.031 0.000 0.805 148 S HN 0.434 nan 8.310 nan 0.000 0.501 149 L N 3.447 124.735 121.223 0.108 0.000 2.389 149 L HA 0.395 4.735 4.340 0.000 0.000 0.265 149 L C 0.219 177.165 176.870 0.127 0.000 1.167 149 L CA -0.227 54.704 54.840 0.150 0.000 1.045 149 L CB -0.215 41.967 42.059 0.204 0.000 1.351 149 L HN 0.251 nan 8.230 nan 0.000 0.419 150 E N 2.142 122.401 120.200 0.097 0.000 3.056 150 E HA -0.126 4.225 4.350 0.000 0.000 0.264 150 E C -0.255 176.400 176.600 0.092 0.000 0.899 150 E CA 0.389 56.834 56.400 0.075 0.000 0.966 150 E CB 0.456 30.178 29.700 0.037 0.000 0.913 150 E HN 0.577 nan 8.360 nan 0.000 0.522 151 T N 4.517 119.128 114.554 0.094 0.000 2.937 151 T HA -0.079 4.271 4.350 0.000 0.000 0.316 151 T C 0.893 175.656 174.700 0.106 0.000 1.079 151 T CA -0.112 62.062 62.100 0.124 0.000 1.131 151 T CB 0.235 69.179 68.868 0.126 0.000 1.000 151 T HN 0.471 nan 8.240 nan 0.000 0.549 152 F N 2.682 122.624 119.950 -0.013 0.000 2.043 152 F HA -0.182 4.345 4.527 0.000 0.000 0.297 152 F C 1.891 177.608 175.800 -0.138 0.000 1.121 152 F CA 1.677 59.608 58.000 -0.115 0.000 1.199 152 F CB -0.375 38.464 39.000 -0.269 0.000 0.968 152 F HN 0.667 nan 8.300 nan 0.000 0.478 153 F N 1.628 121.595 119.950 0.028 0.000 2.091 153 F HA -0.261 4.266 4.527 0.000 0.000 0.299 153 F C 2.406 178.096 175.800 -0.183 0.000 1.103 153 F CA 2.183 60.108 58.000 -0.125 0.000 1.228 153 F CB -0.957 37.956 39.000 -0.145 0.000 0.984 153 F HN 0.038 nan 8.300 nan 0.000 0.477 154 D N -0.439 119.918 120.400 -0.072 0.000 2.149 154 D HA -0.183 4.457 4.640 0.000 0.000 0.194 154 D C 2.439 178.575 176.300 -0.273 0.000 1.001 154 D CA 1.749 55.665 54.000 -0.141 0.000 0.849 154 D CB -0.337 40.452 40.800 -0.019 0.000 0.939 154 D HN 0.287 nan 8.370 nan 0.000 0.449 155 S N 0.506 116.020 115.700 -0.309 0.000 2.338 155 S HA -0.132 4.338 4.470 0.000 0.000 0.218 155 S C 1.914 176.178 174.600 -0.561 0.000 1.032 155 S CA 0.328 58.308 58.200 -0.367 0.000 0.999 155 S CB -0.413 62.564 63.200 -0.373 0.000 0.905 155 S HN 0.155 nan 8.310 nan 0.000 0.439 156 L N 2.242 122.956 121.223 -0.849 0.000 2.051 156 L HA -0.131 4.209 4.340 0.000 0.000 0.214 156 L C 2.210 178.593 176.870 -0.811 0.000 1.076 156 L CA 1.629 55.792 54.840 -1.129 0.000 0.758 156 L CB -0.892 40.462 42.059 -1.175 0.000 0.890 156 L HN 0.141 nan 8.230 nan 0.000 0.433 157 V N -0.827 118.621 119.914 -0.776 0.000 2.233 157 V HA -0.352 3.769 4.120 0.000 0.000 0.247 157 V C 2.473 178.368 176.094 -0.333 0.000 1.050 157 V CA 2.385 64.347 62.300 -0.562 0.000 1.010 157 V CB -0.967 30.535 31.823 -0.534 0.000 0.637 157 V HN 0.579 nan 8.190 nan 0.000 0.444 158 T N -0.599 113.783 114.554 -0.287 0.000 2.652 158 T HA -0.278 4.072 4.350 0.000 0.000 0.267 158 T C 1.920 176.525 174.700 -0.159 0.000 1.039 158 T CA 1.921 63.914 62.100 -0.179 0.000 1.153 158 T CB -0.295 68.486 68.868 -0.144 0.000 0.863 158 T HN 0.541 nan 8.240 nan 0.000 0.428 159 Q N 0.422 120.098 119.800 -0.206 0.000 2.119 159 Q HA 0.108 4.449 4.340 0.000 0.000 0.201 159 Q C 2.424 178.364 176.000 -0.099 0.000 0.972 159 Q CA 1.237 56.959 55.803 -0.134 0.000 0.847 159 Q CB -0.156 28.511 28.738 -0.118 0.000 0.903 159 Q HN 0.518 nan 8.270 nan 0.000 0.433 160 A N 0.808 123.513 122.820 -0.192 0.000 2.218 160 A HA -0.007 4.313 4.320 0.000 0.000 0.209 160 A C 0.498 178.077 177.584 -0.009 0.000 1.168 160 A CA 0.229 52.236 52.037 -0.051 0.000 0.804 160 A CB -0.215 18.730 19.000 -0.093 0.000 0.834 160 A HN 0.498 nan 8.150 nan 0.000 0.482 161 N N -0.477 118.183 118.700 -0.066 0.000 2.705 161 N HA -0.166 4.574 4.740 0.000 0.000 0.255 161 N C -0.115 175.391 175.510 -0.007 0.000 1.008 161 N CA 1.084 54.111 53.050 -0.038 0.000 0.742 161 N CB -1.550 36.931 38.487 -0.010 0.000 0.906 161 N HN 0.768 nan 8.380 nan 0.000 0.541 162 I N -3.418 117.138 120.570 -0.022 0.000 2.982 162 I HA 0.800 4.970 4.170 0.000 0.000 0.312 162 I C -1.995 174.135 176.117 0.020 0.000 1.041 162 I CA -2.546 58.775 61.300 0.035 0.000 1.053 162 I CB 1.378 39.445 38.000 0.112 0.000 1.248 162 I HN -0.164 nan 8.210 nan 0.000 0.471 163 P HA 0.102 nan 4.420 nan 0.000 0.271 163 P C -0.818 176.566 177.300 0.141 0.000 1.216 163 P CA -0.073 63.081 63.100 0.089 0.000 0.776 163 P CB 0.279 32.040 31.700 0.103 0.000 0.881 164 N N 2.571 121.357 118.700 0.144 0.000 3.193 164 N HA 0.149 4.889 4.740 0.000 0.000 0.312 164 N C -1.168 174.577 175.510 0.392 0.000 1.261 164 N CA 0.254 53.460 53.050 0.259 0.000 1.208 164 N CB -0.643 37.961 38.487 0.194 0.000 1.471 164 N HN 0.027 nan 8.380 nan 0.000 0.548 165 V N 1.791 121.992 119.914 0.478 0.000 3.147 165 V HA 0.658 4.779 4.120 0.000 0.000 0.306 165 V C -1.017 175.343 176.094 0.444 0.000 1.209 165 V CA -0.970 61.530 62.300 0.333 0.000 1.023 165 V CB 1.772 33.694 31.823 0.165 0.000 1.059 165 V HN 0.270 nan 8.190 nan 0.000 0.435 166 F N 0.425 120.391 119.950 0.027 0.000 2.672 166 F HA 0.847 5.374 4.527 0.000 0.000 0.311 166 F C -0.660 175.129 175.800 -0.018 0.000 1.113 166 F CA -0.580 57.399 58.000 -0.034 0.000 0.996 166 F CB 1.344 40.160 39.000 -0.306 0.000 1.286 166 F HN 0.504 nan 8.300 nan 0.000 0.441 167 S N 4.301 120.051 115.700 0.082 0.000 2.599 167 S HA 0.851 5.321 4.470 0.000 0.000 0.294 167 S C -1.121 173.570 174.600 0.151 0.000 1.094 167 S CA -0.821 57.326 58.200 -0.090 0.000 0.931 167 S CB 2.298 65.284 63.200 -0.357 0.000 1.093 167 S HN 1.108 nan 8.310 nan 0.000 0.488 168 M N 1.682 121.353 119.600 0.119 0.000 2.501 168 M HA 0.466 4.947 4.480 0.000 0.000 0.293 168 M C -1.971 174.469 176.300 0.234 0.000 1.192 168 M CA -0.283 55.134 55.300 0.195 0.000 0.886 168 M CB 2.302 35.000 32.600 0.163 0.000 1.710 168 M HN 0.957 nan 8.290 nan 0.000 0.457 169 Q N 4.866 124.752 119.800 0.144 0.000 2.269 169 Q HA 0.495 4.835 4.340 0.000 0.000 0.263 169 Q C -2.045 173.883 176.000 -0.120 0.000 0.983 169 Q CA -0.438 55.407 55.803 0.069 0.000 0.777 169 Q CB 1.963 30.703 28.738 0.003 0.000 1.273 169 Q HN 0.808 nan 8.270 nan 0.000 0.440 170 M N 2.568 122.036 119.600 -0.221 0.000 2.300 170 M HA 0.511 4.991 4.480 0.000 0.000 0.348 170 M C -0.939 175.281 176.300 -0.134 0.000 1.151 170 M CA -0.676 54.340 55.300 -0.473 0.000 1.046 170 M CB 1.470 33.542 32.600 -0.880 0.000 1.647 170 M HN 0.565 nan 8.290 nan 0.000 0.451 171 c N 2.181 120.802 118.600 0.035 0.000 2.369 171 c HA 0.979 5.549 4.570 0.000 0.000 0.322 171 c C 0.335 174.539 174.090 0.189 0.000 1.258 171 c CA -0.786 55.595 56.329 0.087 0.000 1.487 171 c CB 0.795 43.334 42.510 0.048 0.000 2.165 171 c HN 1.058 nan 8.230 nan 0.000 0.483 172 G N 1.545 110.427 108.800 0.135 0.000 2.433 172 G HA2 0.789 4.749 3.960 0.000 0.000 0.306 172 G HA3 0.789 4.749 3.960 0.000 0.000 0.306 172 G C -1.236 173.718 174.900 0.090 0.000 1.627 172 G CA 0.427 45.606 45.100 0.131 0.000 0.893 172 G HN 1.486 nan 8.290 nan 0.000 0.648 184 G N -0.936 107.903 108.800 0.066 0.000 3.054 184 G HA2 0.778 4.738 3.960 0.000 0.000 0.201 184 G HA3 0.778 4.738 3.960 0.000 0.000 0.201 184 G C -0.102 174.923 174.900 0.209 0.000 1.694 184 G CA 0.352 45.530 45.100 0.130 0.000 0.742 184 G HN 0.798 nan 8.290 nan 0.000 0.790 185 G N -1.431 107.439 108.800 0.118 0.000 2.561 185 G HA2 0.523 4.483 3.960 0.000 0.000 0.310 185 G HA3 0.523 4.483 3.960 0.000 0.000 0.310 185 G C -1.698 173.208 174.900 0.010 0.000 1.292 185 G CA 0.299 45.414 45.100 0.026 0.000 0.811 185 G HN 1.104 nan 8.290 nan 0.000 0.482 186 S N -0.635 115.064 115.700 -0.003 0.000 2.575 186 S HA 0.540 5.010 4.470 0.000 0.000 0.278 186 S C -1.387 173.258 174.600 0.075 0.000 1.139 186 S CA -0.446 57.774 58.200 0.034 0.000 0.954 186 S CB 1.827 65.042 63.200 0.024 0.000 1.054 186 S HN 0.996 nan 8.310 nan 0.000 0.483 187 L N 3.892 125.168 121.223 0.088 0.000 2.335 187 L HA 0.525 4.865 4.340 0.000 0.000 0.268 187 L C -1.120 175.849 176.870 0.166 0.000 1.037 187 L CA -0.463 54.446 54.840 0.116 0.000 0.895 187 L CB 0.598 42.693 42.059 0.061 0.000 1.266 187 L HN 0.517 nan 8.230 nan 0.000 0.439 188 V N 6.311 126.350 119.914 0.208 0.000 2.370 188 V HA 0.169 4.289 4.120 0.000 0.000 0.257 188 V C 0.469 176.733 176.094 0.283 0.000 1.064 188 V CA -0.199 62.232 62.300 0.219 0.000 0.975 188 V CB 0.402 32.361 31.823 0.227 0.000 1.067 188 V HN 0.515 nan 8.190 nan 0.000 0.485 189 L N 5.223 126.649 121.223 0.338 0.000 2.295 189 L HA 0.598 4.938 4.340 0.000 0.000 0.288 189 L C 1.209 178.389 176.870 0.515 0.000 1.079 189 L CA 0.317 55.447 54.840 0.485 0.000 0.830 189 L CB 0.546 42.964 42.059 0.599 0.000 1.200 189 L HN 0.886 nan 8.230 nan 0.000 0.438 190 G N 1.992 111.095 108.800 0.504 0.000 2.138 190 G HA2 0.031 3.991 3.960 0.000 0.000 0.193 190 G HA3 0.031 3.991 3.960 0.000 0.000 0.193 190 G C 0.138 175.184 174.900 0.242 0.000 0.998 190 G CA -0.307 45.023 45.100 0.383 0.000 0.668 190 G HN 1.148 nan 8.290 nan 0.000 0.516 191 G N -1.193 107.735 108.800 0.215 0.000 2.341 191 G HA2 0.577 4.537 3.960 0.000 0.000 0.299 191 G HA3 0.577 4.537 3.960 0.000 0.000 0.299 191 G C -1.571 173.404 174.900 0.126 0.000 1.274 191 G CA -0.358 44.829 45.100 0.144 0.000 0.853 191 G HN 0.814 nan 8.290 nan 0.000 0.493 192 I N 0.563 121.208 120.570 0.125 0.000 2.418 192 I HA 0.376 4.546 4.170 0.000 0.000 0.287 192 I C -0.774 175.497 176.117 0.256 0.000 1.008 192 I CA -0.722 60.679 61.300 0.168 0.000 1.104 192 I CB 2.125 40.183 38.000 0.096 0.000 1.264 192 I HN 0.446 nan 8.210 nan 0.000 0.438 193 E N 9.864 130.275 120.200 0.352 0.000 2.001 193 E HA 0.260 4.610 4.350 0.000 0.000 0.279 193 E C -1.826 174.935 176.600 0.267 0.000 1.045 193 E CA -2.560 53.976 56.400 0.227 0.000 0.833 193 E CB 0.894 30.670 29.700 0.127 0.000 1.077 193 E HN 0.255 nan 8.360 nan 0.000 0.397 194 P HA -0.192 nan 4.420 nan 0.000 0.221 194 P C 0.818 178.026 177.300 -0.153 0.000 1.145 194 P CA 1.026 64.177 63.100 0.085 0.000 0.795 194 P CB 0.245 31.954 31.700 0.016 0.000 0.775 195 S N -1.019 114.634 115.700 -0.079 0.000 2.561 195 S HA 0.031 4.501 4.470 0.000 0.000 0.225 195 S C 1.738 176.250 174.600 -0.148 0.000 0.977 195 S CA 0.134 58.262 58.200 -0.121 0.000 0.926 195 S CB -1.181 61.973 63.200 -0.076 0.000 0.769 195 S HN 0.123 nan 8.310 nan 0.000 0.533 196 L N 0.545 121.669 121.223 -0.166 0.000 2.592 196 L HA 0.347 4.687 4.340 0.000 0.000 0.227 196 L C 0.000 176.750 176.870 -0.201 0.000 1.127 196 L CA -0.296 54.367 54.840 -0.296 0.000 0.884 196 L CB -0.183 41.468 42.059 -0.680 0.000 1.065 196 L HN 0.612 nan 8.230 nan 0.000 0.457 197 Y N -2.416 117.763 120.300 -0.201 0.000 2.519 197 Y HA 0.620 5.170 4.550 0.000 0.000 0.336 197 Y C -1.029 174.856 175.900 -0.024 0.000 1.089 197 Y CA -1.767 56.288 58.100 -0.074 0.000 1.025 197 Y CB 0.891 39.400 38.460 0.081 0.000 1.318 197 Y HN -0.239 nan 8.280 nan 0.000 0.452 198 K N 2.368 122.750 120.400 -0.030 0.000 2.208 198 K HA 0.773 5.093 4.320 0.000 0.000 0.247 198 K C 0.015 176.655 176.600 0.066 0.000 0.953 198 K CA -0.100 56.130 56.287 -0.094 0.000 0.837 198 K CB 1.752 34.214 32.500 -0.063 0.000 1.131 198 K HN 1.385 nan 8.250 nan 0.000 0.431 199 G N 1.816 110.637 108.800 0.034 0.000 2.685 199 G HA2 -0.176 3.784 3.960 0.000 0.000 0.387 199 G HA3 -0.176 3.784 3.960 0.000 0.000 0.387 199 G C -1.200 173.791 174.900 0.152 0.000 1.324 199 G CA -0.813 44.346 45.100 0.098 0.000 0.878 199 G HN 0.611 nan 8.290 nan 0.000 0.527 200 D N -0.243 120.212 120.400 0.092 0.000 2.329 200 D HA 0.495 5.135 4.640 0.000 0.000 0.246 200 D C 0.501 176.751 176.300 -0.083 0.000 1.111 200 D CA 0.342 54.313 54.000 -0.048 0.000 0.941 200 D CB 1.736 42.377 40.800 -0.264 0.000 1.169 200 D HN 0.743 nan 8.370 nan 0.000 0.441 201 I N 0.283 120.681 120.570 -0.286 0.000 2.382 201 I HA 0.324 4.494 4.170 0.000 0.000 0.286 201 I C -1.327 174.386 176.117 -0.672 0.000 1.002 201 I CA -0.776 60.269 61.300 -0.426 0.000 1.135 201 I CB 0.690 38.337 38.000 -0.589 0.000 1.288 201 I HN 0.202 nan 8.210 nan 0.000 0.448 202 W N 6.042 126.966 121.300 -0.627 0.000 2.376 202 W HA 0.483 5.143 4.660 0.000 0.000 0.322 202 W C -0.900 175.132 176.519 -0.812 0.000 1.160 202 W CA -0.017 56.826 57.345 -0.837 0.000 1.218 202 W CB 0.691 29.176 29.460 -1.625 0.000 1.205 202 W HN 0.359 nan 8.180 nan 0.000 0.559 203 Y N 0.896 121.126 120.300 -0.116 0.000 2.468 203 Y HA 0.536 5.086 4.550 0.000 0.000 0.342 203 Y C 0.391 176.485 175.900 0.324 0.000 1.021 203 Y CA -0.922 57.217 58.100 0.066 0.000 1.079 203 Y CB 2.406 40.866 38.460 -0.001 0.000 1.226 203 Y HN 0.206 nan 8.280 nan 0.000 0.460 204 T N 5.020 119.891 114.554 0.528 0.000 2.876 204 T HA 0.449 4.799 4.350 0.000 0.000 0.289 204 T C -2.981 171.891 174.700 0.288 0.000 1.014 204 T CA -2.522 59.839 62.100 0.434 0.000 0.986 204 T CB 1.280 70.383 68.868 0.392 0.000 1.021 204 T HN 0.314 nan 8.240 nan 0.000 0.458 205 P HA 0.271 nan 4.420 nan 0.000 0.271 205 P C -0.483 176.921 177.300 0.173 0.000 1.216 205 P CA -0.270 62.927 63.100 0.161 0.000 0.776 205 P CB 0.644 32.417 31.700 0.123 0.000 0.881 206 I N 3.918 124.595 120.570 0.178 0.000 2.337 206 I HA 0.067 4.237 4.170 0.000 0.000 0.291 206 I C 1.769 177.981 176.117 0.159 0.000 1.046 206 I CA -0.434 60.999 61.300 0.222 0.000 1.324 206 I CB 0.609 38.784 38.000 0.292 0.000 1.409 206 I HN 0.262 nan 8.210 nan 0.000 0.494 207 K N 3.843 124.343 120.400 0.167 0.000 1.984 207 K HA -0.037 4.283 4.320 0.000 0.000 0.209 207 K C 0.491 177.123 176.600 0.054 0.000 1.046 207 K CA 1.460 57.813 56.287 0.111 0.000 0.934 207 K CB 0.013 32.591 32.500 0.131 0.000 0.717 207 K HN 0.481 nan 8.250 nan 0.000 0.438 208 E N 0.656 120.917 120.200 0.100 0.000 2.234 208 E HA 0.132 4.482 4.350 0.000 0.000 0.266 208 E C -1.480 175.109 176.600 -0.018 0.000 0.877 208 E CA -0.139 56.196 56.400 -0.109 0.000 0.758 208 E CB 1.436 30.892 29.700 -0.406 0.000 1.170 208 E HN -0.008 nan 8.360 nan 0.000 0.415 209 E N 5.149 125.179 120.200 -0.284 0.000 1.932 209 E HA 0.134 4.484 4.350 0.000 0.000 0.259 209 E C -0.390 176.014 176.600 -0.326 0.000 1.099 209 E CA -0.135 55.880 56.400 -0.641 0.000 0.970 209 E CB 0.250 29.285 29.700 -1.108 0.000 1.143 209 E HN 0.576 nan 8.360 nan 0.000 0.441 210 W N 1.307 122.520 121.300 -0.145 0.000 4.757 210 W HA 0.191 4.851 4.660 0.000 0.000 0.172 210 W C -0.259 176.219 176.519 -0.069 0.000 3.206 210 W CA -0.250 57.037 57.345 -0.097 0.000 1.735 210 W CB -0.511 28.819 29.460 -0.216 0.000 1.720 210 W HN 0.021 nan 8.180 nan 0.000 0.705 211 Y N 0.505 120.746 120.300 -0.099 0.000 2.408 211 Y HA 0.409 4.959 4.550 0.000 0.000 0.324 211 Y C -0.267 175.640 175.900 0.012 0.000 1.302 211 Y CA -1.017 56.942 58.100 -0.235 0.000 1.384 211 Y CB 0.161 38.316 38.460 -0.507 0.000 1.367 211 Y HN -0.176 nan 8.280 nan 0.000 0.525 212 Y N 1.254 121.797 120.300 0.406 0.000 2.636 212 Y HA 0.138 4.688 4.550 0.000 0.000 0.341 212 Y C 0.322 176.421 175.900 0.332 0.000 1.169 212 Y CA -0.303 58.048 58.100 0.418 0.000 1.498 212 Y CB -0.014 38.688 38.460 0.404 0.000 1.362 212 Y HN 0.385 nan 8.280 nan 0.000 0.494 213 Q N 5.039 125.117 119.800 0.463 0.000 2.256 213 Q HA 0.603 4.943 4.340 0.000 0.000 0.254 213 Q C -0.735 175.447 176.000 0.303 0.000 0.916 213 Q CA -0.611 55.419 55.803 0.378 0.000 0.932 213 Q CB 0.861 29.913 28.738 0.524 0.000 1.207 213 Q HN 0.773 nan 8.270 nan 0.000 0.426 214 I N -0.194 120.513 120.570 0.228 0.000 3.145 214 I HA 0.571 4.741 4.170 0.000 0.000 0.313 214 I C -1.173 175.017 176.117 0.121 0.000 1.122 214 I CA -1.296 60.110 61.300 0.177 0.000 0.987 214 I CB 2.256 40.361 38.000 0.176 0.000 1.236 214 I HN 0.718 nan 8.210 nan 0.000 0.453 215 E N 3.771 124.021 120.200 0.083 0.000 2.156 215 E HA 0.578 4.928 4.350 0.000 0.000 0.279 215 E C -1.284 175.316 176.600 0.000 0.000 0.965 215 E CA -0.714 55.720 56.400 0.056 0.000 0.789 215 E CB 1.953 31.688 29.700 0.057 0.000 1.098 215 E HN 0.590 nan 8.360 nan 0.000 0.397 216 I N 4.718 125.292 120.570 0.006 0.000 2.440 216 I HA 0.086 4.256 4.170 0.000 0.000 0.294 216 I C 0.853 176.969 176.117 -0.001 0.000 0.995 216 I CA -0.535 60.731 61.300 -0.056 0.000 1.306 216 I CB 1.040 38.995 38.000 -0.075 0.000 1.407 216 I HN 0.715 nan 8.210 nan 0.000 0.501 217 L N 4.335 125.522 121.223 -0.060 0.000 2.379 217 L HA 0.255 4.595 4.340 0.000 0.000 0.190 217 L C 0.727 177.596 176.870 -0.002 0.000 1.111 217 L CA 0.432 55.266 54.840 -0.010 0.000 0.820 217 L CB -0.122 41.898 42.059 -0.064 0.000 1.046 217 L HN 0.516 nan 8.230 nan 0.000 0.485 218 K N 0.100 120.410 120.400 -0.149 0.000 2.346 218 K HA 0.634 4.954 4.320 0.000 0.000 0.238 218 K C -1.565 174.818 176.600 -0.361 0.000 1.039 218 K CA -0.778 55.377 56.287 -0.220 0.000 0.861 218 K CB 2.737 35.003 32.500 -0.390 0.000 1.278 218 K HN -0.187 nan 8.250 nan 0.000 0.460 219 L N 1.611 122.611 121.223 -0.371 0.000 2.518 219 L HA 0.275 4.615 4.340 0.000 0.000 0.262 219 L C -1.187 175.598 176.870 -0.141 0.000 0.982 219 L CA -0.003 54.628 54.840 -0.348 0.000 0.873 219 L CB 1.567 43.272 42.059 -0.590 0.000 1.198 219 L HN 0.563 nan 8.230 nan 0.000 0.427 220 E N 3.947 124.111 120.200 -0.061 0.000 2.283 220 E HA 0.620 4.970 4.350 0.000 0.000 0.271 220 E C -0.953 175.616 176.600 -0.053 0.000 1.031 220 E CA -0.453 55.929 56.400 -0.030 0.000 0.868 220 E CB 1.686 31.411 29.700 0.042 0.000 1.094 220 E HN 0.442 nan 8.360 nan 0.000 0.401 221 I N 1.941 122.490 120.570 -0.035 0.000 2.531 221 I HA 0.246 4.416 4.170 0.000 0.000 0.283 221 I C 0.366 176.483 176.117 -0.000 0.000 1.083 221 I CA -0.424 60.861 61.300 -0.025 0.000 1.071 221 I CB 1.776 39.753 38.000 -0.038 0.000 1.210 221 I HN 0.842 nan 8.210 nan 0.000 0.450 222 G N 4.042 112.854 108.800 0.020 0.000 2.221 222 G HA2 -0.150 3.810 3.960 0.000 0.000 0.265 222 G HA3 -0.150 3.810 3.960 0.000 0.000 0.265 222 G C 1.020 175.925 174.900 0.009 0.000 1.041 222 G CA 0.551 45.666 45.100 0.026 0.000 0.807 222 G HN 1.521 nan 8.290 nan 0.000 0.502 223 G N -1.620 107.181 108.800 0.002 0.000 2.234 223 G HA2 -0.194 3.766 3.960 0.000 0.000 0.260 223 G HA3 -0.194 3.766 3.960 0.000 0.000 0.260 223 G C 0.437 175.331 174.900 -0.010 0.000 0.987 223 G CA 1.284 46.383 45.100 -0.001 0.000 0.625 223 G HN 1.728 nan 8.290 nan 0.000 0.532 224 Q N 1.908 121.700 119.800 -0.013 0.000 2.314 224 Q HA 0.600 4.940 4.340 0.000 0.000 0.257 224 Q C 0.772 176.755 176.000 -0.028 0.000 0.975 224 Q CA 0.347 56.138 55.803 -0.021 0.000 0.933 224 Q CB 0.816 29.543 28.738 -0.018 0.000 1.195 224 Q HN 0.765 nan 8.270 nan 0.000 0.426 225 S N 3.393 119.068 115.700 -0.041 0.000 2.593 225 S HA 0.167 4.637 4.470 0.000 0.000 0.269 225 S C 0.954 175.543 174.600 -0.018 0.000 1.334 225 S CA -0.585 57.586 58.200 -0.048 0.000 1.015 225 S CB 0.560 63.709 63.200 -0.086 0.000 0.912 225 S HN 0.781 nan 8.310 nan 0.000 0.541 226 L N 0.643 121.876 121.223 0.017 0.000 2.313 226 L HA 0.052 4.392 4.340 0.000 0.000 0.214 226 L C 0.173 177.068 176.870 0.041 0.000 1.119 226 L CA 0.172 55.042 54.840 0.049 0.000 0.809 226 L CB -0.905 41.234 42.059 0.133 0.000 0.933 226 L HN 0.745 nan 8.230 nan 0.000 0.449 227 N N 1.510 120.232 118.700 0.036 0.000 2.608 227 N HA -0.160 4.580 4.740 0.000 0.000 0.273 227 N C -0.974 174.526 175.510 -0.016 0.000 1.133 227 N CA 0.824 53.874 53.050 0.001 0.000 0.726 227 N CB -1.139 37.337 38.487 -0.018 0.000 0.890 227 N HN 0.248 nan 8.380 nan 0.000 0.548 228 L N 0.051 121.252 121.223 -0.037 0.000 2.434 228 L HA 0.318 4.658 4.340 0.000 0.000 0.260 228 L C 0.261 176.994 176.870 -0.229 0.000 0.983 228 L CA -1.035 53.714 54.840 -0.152 0.000 0.820 228 L CB 1.971 43.881 42.059 -0.248 0.000 1.361 228 L HN 0.036 nan 8.230 nan 0.000 0.410 229 D N 0.960 121.235 120.400 -0.209 0.000 2.479 229 D HA -0.055 4.585 4.640 0.000 0.000 0.257 229 D C 1.342 177.464 176.300 -0.296 0.000 1.230 229 D CA 0.001 53.891 54.000 -0.184 0.000 0.912 229 D CB 0.858 41.575 40.800 -0.138 0.000 1.130 229 D HN 0.670 nan 8.370 nan 0.000 0.515 230 c N 4.298 122.784 118.600 -0.191 0.000 2.397 230 c HA -0.141 4.429 4.570 0.000 0.000 0.286 230 c C 2.154 176.169 174.090 -0.125 0.000 1.308 230 c CA 0.315 56.568 56.329 -0.126 0.000 1.805 230 c CB -0.876 41.666 42.510 0.054 0.000 1.952 230 c HN 0.677 nan 8.230 nan 0.000 0.518 231 R N 0.730 121.156 120.500 -0.124 0.000 2.189 231 R HA -0.053 4.287 4.340 0.000 0.000 0.223 231 R C 2.309 178.543 176.300 -0.109 0.000 1.092 231 R CA 1.257 57.313 56.100 -0.072 0.000 0.989 231 R CB -0.262 30.006 30.300 -0.054 0.000 0.876 231 R HN 0.660 nan 8.270 nan 0.000 0.457 232 E N 0.397 120.446 120.200 -0.251 0.000 2.058 232 E HA -0.218 4.132 4.350 0.000 0.000 0.194 232 E C 1.865 178.370 176.600 -0.159 0.000 0.997 232 E CA 1.575 57.816 56.400 -0.265 0.000 0.801 232 E CB -0.340 29.090 29.700 -0.450 0.000 0.746 232 E HN 0.547 nan 8.360 nan 0.000 0.450 233 Y N 0.538 120.832 120.300 -0.009 0.000 2.421 233 Y HA -0.023 4.527 4.550 0.000 0.000 0.292 233 Y C 1.774 177.673 175.900 -0.002 0.000 1.136 233 Y CA 0.383 58.476 58.100 -0.011 0.000 1.255 233 Y CB 0.023 38.468 38.460 -0.025 0.000 0.991 233 Y HN -0.007 nan 8.280 nan 0.000 0.552 234 N N 0.289 119.067 118.700 0.130 0.000 2.273 234 N HA 0.261 5.002 4.740 0.000 0.000 0.231 234 N C -0.478 175.077 175.510 0.075 0.000 1.134 234 N CA 0.122 53.232 53.050 0.101 0.000 0.856 234 N CB 0.683 39.227 38.487 0.095 0.000 1.068 234 N HN 0.063 nan 8.380 nan 0.000 0.510 235 A N 1.231 124.082 122.820 0.052 0.000 2.273 235 A HA 0.312 4.632 4.320 0.000 0.000 0.315 235 A C 0.257 177.866 177.584 0.042 0.000 1.256 235 A CA -0.638 51.425 52.037 0.043 0.000 0.851 235 A CB 0.532 19.541 19.000 0.015 0.000 1.172 235 A HN 0.103 nan 8.150 nan 0.000 0.508 236 D N 1.800 122.233 120.400 0.054 0.000 2.363 236 D HA 0.131 4.771 4.640 0.000 0.000 0.214 236 D C 0.119 176.503 176.300 0.140 0.000 1.093 236 D CA 0.169 54.225 54.000 0.092 0.000 0.837 236 D CB -0.054 40.809 40.800 0.106 0.000 0.948 236 D HN 0.635 nan 8.370 nan 0.000 0.507 237 K N -1.464 118.995 120.400 0.099 0.000 2.622 237 K HA 0.660 4.980 4.320 0.000 0.000 0.273 237 K C -2.018 174.609 176.600 0.045 0.000 0.957 237 K CA -1.063 55.294 56.287 0.117 0.000 0.861 237 K CB 1.199 33.766 32.500 0.111 0.000 1.405 237 K HN -0.091 nan 8.250 nan 0.000 0.406 238 A N 3.710 126.574 122.820 0.074 0.000 2.340 238 A HA 0.665 4.985 4.320 0.000 0.000 0.297 238 A C -0.386 177.236 177.584 0.063 0.000 1.195 238 A CA -0.891 51.174 52.037 0.046 0.000 0.769 238 A CB 0.176 19.213 19.000 0.063 0.000 1.163 238 A HN 0.758 nan 8.150 nan 0.000 0.472 239 I N -0.157 120.420 120.570 0.011 0.000 2.693 239 I HA 0.800 4.970 4.170 0.000 0.000 0.303 239 I C -0.835 175.350 176.117 0.113 0.000 1.025 239 I CA -1.246 60.094 61.300 0.068 0.000 1.086 239 I CB 2.118 40.080 38.000 -0.063 0.000 1.268 239 I HN 0.151 nan 8.210 nan 0.000 0.440 240 V N 3.078 123.125 119.914 0.222 0.000 2.406 240 V HA 0.303 4.423 4.120 0.000 0.000 0.272 240 V C -0.718 175.529 176.094 0.255 0.000 1.043 240 V CA 0.230 62.663 62.300 0.222 0.000 0.915 240 V CB 0.820 32.772 31.823 0.215 0.000 0.988 240 V HN 0.821 nan 8.190 nan 0.000 0.466 241 D N 3.028 123.525 120.400 0.162 0.000 2.330 241 D HA 0.184 4.825 4.640 0.000 0.000 0.249 241 D C 1.105 177.455 176.300 0.084 0.000 1.306 241 D CA 0.095 54.171 54.000 0.126 0.000 0.956 241 D CB 1.592 42.429 40.800 0.061 0.000 1.261 241 D HN 0.433 nan 8.370 nan 0.000 0.544 242 S N 1.463 117.210 115.700 0.078 0.000 2.419 242 S HA -0.088 4.382 4.470 0.000 0.000 0.235 242 S C 1.945 176.557 174.600 0.020 0.000 1.019 242 S CA 0.991 59.219 58.200 0.046 0.000 0.982 242 S CB -0.295 62.909 63.200 0.008 0.000 0.789 242 S HN 0.432 nan 8.310 nan 0.000 0.490 243 G N 0.267 109.062 108.800 -0.008 0.000 2.848 243 G HA2 0.243 4.203 3.960 0.000 0.000 0.208 243 G HA3 0.243 4.203 3.960 0.000 0.000 0.208 243 G C 0.124 174.995 174.900 -0.048 0.000 1.152 243 G CA 0.308 45.371 45.100 -0.061 0.000 0.789 243 G HN 0.502 nan 8.290 nan 0.000 0.531 244 T N -0.053 114.498 114.554 -0.005 0.000 2.815 244 T HA 0.335 4.685 4.350 0.000 0.000 0.289 244 T C 1.292 176.006 174.700 0.023 0.000 1.000 244 T CA -0.376 61.723 62.100 -0.003 0.000 0.958 244 T CB 1.792 70.654 68.868 -0.009 0.000 0.944 244 T HN -0.041 nan 8.240 nan 0.000 0.442 245 T N 3.688 118.257 114.554 0.025 0.000 2.635 245 T HA -0.001 4.349 4.350 0.000 0.000 0.267 245 T C 0.936 175.663 174.700 0.044 0.000 1.040 245 T CA 1.366 63.495 62.100 0.048 0.000 1.156 245 T CB -0.181 68.712 68.868 0.041 0.000 0.863 245 T HN 0.354 nan 8.240 nan 0.000 0.430 246 L N 0.389 121.623 121.223 0.018 0.000 2.416 246 L HA 0.540 4.880 4.340 0.000 0.000 0.263 246 L C -0.326 176.538 176.870 -0.009 0.000 1.065 246 L CA -1.210 53.630 54.840 -0.000 0.000 0.798 246 L CB 0.598 42.644 42.059 -0.022 0.000 1.267 246 L HN 0.103 nan 8.230 nan 0.000 0.467 247 L N 1.836 123.041 121.223 -0.030 0.000 2.268 247 L HA 0.338 4.678 4.340 0.000 0.000 0.289 247 L C -0.336 176.515 176.870 -0.032 0.000 1.064 247 L CA 0.096 54.918 54.840 -0.030 0.000 0.824 247 L CB 0.035 42.062 42.059 -0.053 0.000 1.202 247 L HN 0.392 nan 8.230 nan 0.000 0.433 248 R N 6.143 126.626 120.500 -0.028 0.000 2.265 248 R HA 0.662 5.002 4.340 0.000 0.000 0.319 248 R C -1.153 175.143 176.300 -0.006 0.000 1.006 248 R CA -0.598 55.480 56.100 -0.036 0.000 0.880 248 R CB 1.075 31.340 30.300 -0.058 0.000 1.077 248 R HN 0.624 nan 8.270 nan 0.000 0.454 249 L N 4.253 125.495 121.223 0.032 0.000 2.365 249 L HA 0.520 4.860 4.340 0.000 0.000 0.273 249 L C -2.209 174.704 176.870 0.071 0.000 1.000 249 L CA -2.796 52.093 54.840 0.082 0.000 0.819 249 L CB 2.149 44.309 42.059 0.168 0.000 1.284 249 L HN 0.352 nan 8.230 nan 0.000 0.418 250 P HA -0.036 nan 4.420 nan 0.000 0.265 250 P C 0.117 177.470 177.300 0.088 0.000 1.193 250 P CA 0.020 63.148 63.100 0.047 0.000 0.765 250 P CB 1.238 32.964 31.700 0.043 0.000 0.823 251 Q N 4.624 124.461 119.800 0.062 0.000 2.032 251 Q HA -0.304 4.036 4.340 0.000 0.000 0.217 251 Q C 2.105 178.197 176.000 0.154 0.000 1.058 251 Q CA 2.910 58.778 55.803 0.109 0.000 0.911 251 Q CB -0.922 27.853 28.738 0.062 0.000 1.045 251 Q HN 0.472 nan 8.270 nan 0.000 0.429 252 K N -1.191 119.262 120.400 0.087 0.000 2.107 252 K HA -0.212 4.108 4.320 0.000 0.000 0.211 252 K C 1.847 178.494 176.600 0.079 0.000 1.049 252 K CA 1.881 58.206 56.287 0.063 0.000 0.927 252 K CB -0.184 32.327 32.500 0.018 0.000 0.714 252 K HN 0.231 nan 8.250 nan 0.000 0.452 253 V N 0.627 120.607 119.914 0.110 0.000 2.323 253 V HA -0.200 3.920 4.120 0.000 0.000 0.244 253 V C 1.984 178.170 176.094 0.153 0.000 1.041 253 V CA 1.714 64.100 62.300 0.142 0.000 1.025 253 V CB -0.658 31.291 31.823 0.209 0.000 0.656 253 V HN 0.316 nan 8.190 nan 0.000 0.451 254 F N 1.806 121.778 119.950 0.037 0.000 2.063 254 F HA -0.272 4.255 4.527 0.000 0.000 0.298 254 F C 2.279 178.088 175.800 0.015 0.000 1.109 254 F CA 2.233 60.255 58.000 0.038 0.000 1.212 254 F CB -0.547 38.486 39.000 0.055 0.000 0.973 254 F HN 0.226 nan 8.300 nan 0.000 0.480 255 D N 0.494 120.937 120.400 0.071 0.000 2.103 255 D HA -0.238 4.402 4.640 0.000 0.000 0.190 255 D C 2.421 178.630 176.300 -0.152 0.000 0.997 255 D CA 1.776 55.728 54.000 -0.080 0.000 0.833 255 D CB -0.901 39.917 40.800 0.029 0.000 0.961 255 D HN 0.404 nan 8.370 nan 0.000 0.447 256 A N 0.960 123.740 122.820 -0.067 0.000 1.903 256 A HA -0.212 4.108 4.320 0.000 0.000 0.219 256 A C 2.645 180.157 177.584 -0.121 0.000 1.191 256 A CA 1.971 53.967 52.037 -0.068 0.000 0.638 256 A CB -0.971 18.025 19.000 -0.008 0.000 0.823 256 A HN 0.168 nan 8.150 nan 0.000 0.451 257 V N -0.540 119.291 119.914 -0.139 0.000 2.237 257 V HA -0.259 3.861 4.120 0.000 0.000 0.245 257 V C 2.581 178.499 176.094 -0.293 0.000 1.046 257 V CA 2.040 64.234 62.300 -0.176 0.000 1.007 257 V CB -0.982 30.751 31.823 -0.150 0.000 0.638 257 V HN 0.386 nan 8.190 nan 0.000 0.445 258 V N 0.061 119.673 119.914 -0.504 0.000 2.252 258 V HA -0.380 3.741 4.120 0.000 0.000 0.249 258 V C 2.508 178.241 176.094 -0.601 0.000 1.056 258 V CA 2.590 64.426 62.300 -0.774 0.000 1.022 258 V CB -0.725 30.478 31.823 -1.032 0.000 0.641 258 V HN 0.729 nan 8.190 nan 0.000 0.445 259 E N 0.086 120.047 120.200 -0.398 0.000 2.065 259 E HA -0.318 4.033 4.350 0.000 0.000 0.201 259 E C 2.201 178.685 176.600 -0.193 0.000 1.016 259 E CA 1.847 58.096 56.400 -0.251 0.000 0.818 259 E CB -0.276 29.331 29.700 -0.156 0.000 0.749 259 E HN 0.566 nan 8.360 nan 0.000 0.453 260 A N 0.639 123.361 122.820 -0.165 0.000 1.851 260 A HA -0.185 4.135 4.320 0.000 0.000 0.216 260 A C 2.486 180.024 177.584 -0.077 0.000 1.195 260 A CA 1.972 53.949 52.037 -0.100 0.000 0.622 260 A CB -1.034 17.918 19.000 -0.080 0.000 0.831 260 A HN 0.245 nan 8.150 nan 0.000 0.444 261 V N 0.013 119.872 119.914 -0.092 0.000 2.453 261 V HA -0.299 3.821 4.120 0.000 0.000 0.252 261 V C 2.945 179.063 176.094 0.039 0.000 1.068 261 V CA 2.110 64.436 62.300 0.043 0.000 1.070 261 V CB -1.494 30.392 31.823 0.105 0.000 0.664 261 V HN 0.667 nan 8.190 nan 0.000 0.461 262 A N 0.026 122.777 122.820 -0.115 0.000 1.832 262 A HA -0.189 4.131 4.320 0.000 0.000 0.214 262 A C 2.362 179.940 177.584 -0.011 0.000 1.200 262 A CA 1.708 53.730 52.037 -0.025 0.000 0.610 262 A CB -0.600 18.343 19.000 -0.095 0.000 0.842 262 A HN 0.439 nan 8.150 nan 0.000 0.444 263 R N -0.399 120.078 120.500 -0.038 0.000 2.140 263 R HA -0.212 4.128 4.340 0.000 0.000 0.250 263 R C 1.840 178.129 176.300 -0.018 0.000 1.150 263 R CA 1.358 57.444 56.100 -0.025 0.000 0.966 263 R CB -0.579 29.702 30.300 -0.031 0.000 0.869 263 R HN 0.489 nan 8.270 nan 0.000 0.445 264 A N 0.486 123.298 122.820 -0.013 0.000 2.268 264 A HA 0.026 4.346 4.320 0.000 0.000 0.221 264 A C 0.266 177.825 177.584 -0.042 0.000 1.287 264 A CA 0.844 52.874 52.037 -0.011 0.000 0.902 264 A CB -0.092 18.919 19.000 0.018 0.000 0.877 264 A HN 0.354 nan 8.150 nan 0.000 0.487 265 S N -2.742 112.923 115.700 -0.059 0.000 4.266 265 S HA -0.034 4.436 4.470 0.000 0.000 0.071 265 S C 0.172 174.716 174.600 -0.093 0.000 0.860 265 S CA -0.056 58.079 58.200 -0.109 0.000 0.847 265 S CB -1.752 61.280 63.200 -0.279 0.000 0.824 265 S HN 0.383 nan 8.310 nan 0.000 0.757 266 L N 1.565 122.767 121.223 -0.035 0.000 2.349 266 L HA 0.164 4.504 4.340 0.000 0.000 0.220 266 L C 1.730 178.592 176.870 -0.013 0.000 1.130 266 L CA 1.583 56.420 54.840 -0.005 0.000 0.791 266 L CB -0.786 41.277 42.059 0.007 0.000 0.918 266 L HN 0.710 nan 8.230 nan 0.000 0.444 267 I N -0.373 120.177 120.570 -0.033 0.000 2.069 267 I HA -0.179 3.991 4.170 0.000 0.000 0.237 267 I C -0.857 175.231 176.117 -0.048 0.000 1.053 267 I CA 0.674 61.955 61.300 -0.031 0.000 1.311 267 I CB -2.652 35.337 38.000 -0.019 0.000 1.030 267 I HN 0.272 nan 8.210 nan 0.000 0.398 268 P HA -0.016 nan 4.420 nan 0.000 0.269 268 P C -0.435 176.893 177.300 0.047 0.000 1.215 268 P CA 0.054 63.115 63.100 -0.065 0.000 0.780 268 P CB 0.580 32.130 31.700 -0.249 0.000 0.898 269 E N 1.350 121.650 120.200 0.166 0.000 2.070 269 E HA 0.306 4.656 4.350 0.000 0.000 0.261 269 E C -1.421 175.360 176.600 0.302 0.000 0.926 269 E CA -0.496 56.008 56.400 0.173 0.000 0.760 269 E CB -0.004 29.733 29.700 0.061 0.000 1.133 269 E HN 0.198 nan 8.360 nan 0.000 0.420 270 F N 2.641 122.498 119.950 -0.155 0.000 2.366 270 F HA 0.187 4.714 4.527 0.000 0.000 0.366 270 F C 0.526 176.163 175.800 -0.271 0.000 1.096 270 F CA -1.054 56.710 58.000 -0.393 0.000 1.060 270 F CB 1.365 39.905 39.000 -0.767 0.000 1.282 270 F HN 0.237 nan 8.300 nan 0.000 0.450 271 S N 1.519 117.181 115.700 -0.065 0.000 2.568 271 S HA 0.008 4.478 4.470 0.000 0.000 0.282 271 S C 1.272 175.877 174.600 0.010 0.000 1.338 271 S CA -0.353 57.856 58.200 0.017 0.000 1.045 271 S CB 0.647 63.854 63.200 0.012 0.000 0.873 271 S HN 0.667 nan 8.310 nan 0.000 0.516 272 D N 2.290 122.801 120.400 0.184 0.000 2.322 272 D HA -0.143 4.497 4.640 0.000 0.000 0.210 272 D C 1.669 178.107 176.300 0.230 0.000 0.983 272 D CA 1.414 55.628 54.000 0.357 0.000 0.902 272 D CB -1.087 39.910 40.800 0.329 0.000 0.905 272 D HN 0.734 nan 8.370 nan 0.000 0.483 273 G N 0.178 109.051 108.800 0.121 0.000 2.422 273 G HA2 -0.230 3.730 3.960 0.000 0.000 0.218 273 G HA3 -0.230 3.730 3.960 0.000 0.000 0.218 273 G C 1.298 176.250 174.900 0.088 0.000 1.140 273 G CA 0.408 45.571 45.100 0.106 0.000 0.775 273 G HN 0.306 nan 8.290 nan 0.000 0.545 274 F N 0.677 120.523 119.950 -0.174 0.000 2.126 274 F HA -0.068 4.459 4.527 0.000 0.000 0.299 274 F C 2.312 178.031 175.800 -0.135 0.000 1.096 274 F CA 1.372 59.216 58.000 -0.259 0.000 1.255 274 F CB -0.337 38.329 39.000 -0.556 0.000 0.997 274 F HN 0.271 nan 8.300 nan 0.000 0.479 275 W N 0.027 121.329 121.300 0.003 0.000 2.363 275 W HA -0.141 4.519 4.660 0.000 0.000 0.296 275 W C 2.469 179.131 176.519 0.238 0.000 1.212 275 W CA 1.202 58.479 57.345 -0.112 0.000 1.260 275 W CB -1.107 28.325 29.460 -0.046 0.000 1.131 275 W HN -0.180 nan 8.180 nan 0.000 0.530 276 T N -0.646 114.135 114.554 0.378 0.000 2.962 276 T HA 0.053 4.403 4.350 0.000 0.000 0.270 276 T C 1.772 176.576 174.700 0.174 0.000 1.088 276 T CA 1.541 63.807 62.100 0.277 0.000 1.127 276 T CB -0.646 68.338 68.868 0.194 0.000 0.883 276 T HN 0.445 nan 8.240 nan 0.000 0.493 277 G N 0.467 109.336 108.800 0.115 0.000 2.175 277 G HA2 -0.294 3.666 3.960 0.000 0.000 0.244 277 G HA3 -0.294 3.666 3.960 0.000 0.000 0.244 277 G C 1.207 176.137 174.900 0.049 0.000 0.982 277 G CA 0.576 45.713 45.100 0.061 0.000 0.641 277 G HN 0.508 nan 8.290 nan 0.000 0.527 278 S N -0.115 115.621 115.700 0.060 0.000 2.383 278 S HA 0.087 4.557 4.470 0.000 0.000 0.227 278 S C 1.200 175.828 174.600 0.048 0.000 1.026 278 S CA 1.635 59.867 58.200 0.053 0.000 0.981 278 S CB 0.029 63.265 63.200 0.061 0.000 0.818 278 S HN 0.803 nan 8.310 nan 0.000 0.472 279 Q N -0.596 119.238 119.800 0.056 0.000 2.552 279 Q HA 0.713 5.053 4.340 0.000 0.000 0.289 279 Q C -1.251 174.815 176.000 0.110 0.000 1.097 279 Q CA -0.679 55.163 55.803 0.065 0.000 0.812 279 Q CB 1.650 30.421 28.738 0.055 0.000 1.460 279 Q HN 0.155 nan 8.270 nan 0.000 0.452 280 L N 0.356 121.645 121.223 0.110 0.000 2.354 280 L HA 0.827 5.167 4.340 0.000 0.000 0.269 280 L C -0.868 176.051 176.870 0.083 0.000 1.005 280 L CA -1.166 53.775 54.840 0.169 0.000 0.819 280 L CB 1.917 44.039 42.059 0.106 0.000 1.311 280 L HN 0.631 nan 8.230 nan 0.000 0.423 281 A N 1.252 124.095 122.820 0.040 0.000 2.292 281 A HA 0.644 4.964 4.320 0.000 0.000 0.319 281 A C -0.654 176.923 177.584 -0.012 0.000 1.206 281 A CA -0.354 51.531 52.037 -0.253 0.000 0.835 281 A CB 0.718 19.090 19.000 -1.047 0.000 1.164 281 A HN 0.760 nan 8.150 nan 0.000 0.505 282 c N 2.566 121.160 118.600 -0.010 0.000 2.355 282 c HA 0.518 5.088 4.570 0.000 0.000 0.332 282 c C -0.104 174.097 174.090 0.185 0.000 1.255 282 c CA -0.779 55.601 56.329 0.085 0.000 1.792 282 c CB 0.133 42.652 42.510 0.015 0.000 2.300 282 c HN 0.840 nan 8.230 nan 0.000 0.515 283 W N 2.252 123.588 121.300 0.059 0.000 2.469 283 W HA 0.271 4.931 4.660 0.000 0.000 0.320 283 W C 0.130 176.694 176.519 0.076 0.000 1.086 283 W CA -0.167 57.227 57.345 0.082 0.000 1.211 283 W CB 1.804 31.378 29.460 0.190 0.000 1.298 283 W HN 0.696 nan 8.180 nan 0.000 0.525 284 T N 2.930 117.409 114.554 -0.124 0.000 3.086 284 T HA -0.032 4.318 4.350 0.000 0.000 0.250 284 T C 0.405 175.128 174.700 0.038 0.000 1.074 284 T CA 0.122 62.228 62.100 0.010 0.000 0.988 284 T CB -0.087 68.718 68.868 -0.104 0.000 0.988 284 T HN 0.290 nan 8.240 nan 0.000 0.530 285 N N 0.880 119.538 118.700 -0.070 0.000 2.404 285 N HA 0.130 4.870 4.740 0.000 0.000 0.297 285 N C 1.210 176.421 175.510 -0.498 0.000 1.163 285 N CA -0.013 52.938 53.050 -0.165 0.000 0.864 285 N CB 2.040 40.514 38.487 -0.023 0.000 1.247 285 N HN 0.077 nan 8.380 nan 0.000 0.510 286 S N 0.452 115.712 115.700 -0.734 0.000 2.481 286 S HA -0.078 4.392 4.470 0.000 0.000 0.231 286 S C 0.604 175.044 174.600 -0.267 0.000 0.996 286 S CA 0.548 58.288 58.200 -0.767 0.000 0.942 286 S CB -0.026 62.944 63.200 -0.382 0.000 0.768 286 S HN 0.642 nan 8.310 nan 0.000 0.520 287 E N 3.048 123.187 120.200 -0.102 0.000 2.289 287 E HA 0.321 4.671 4.350 0.000 0.000 0.278 287 E C 0.126 176.620 176.600 -0.176 0.000 1.032 287 E CA -0.117 56.258 56.400 -0.042 0.000 0.854 287 E CB 0.947 30.687 29.700 0.067 0.000 1.046 287 E HN 0.431 nan 8.360 nan 0.000 0.409 288 T N 2.306 116.685 114.554 -0.292 0.000 2.913 288 T HA 0.291 4.642 4.350 0.000 0.000 0.297 288 T C -1.659 172.633 174.700 -0.681 0.000 1.029 288 T CA -1.400 60.302 62.100 -0.663 0.000 1.104 288 T CB 1.328 69.656 68.868 -0.899 0.000 0.964 288 T HN 0.387 nan 8.240 nan 0.000 0.532 289 P HA 0.127 nan 4.420 nan 0.000 0.255 289 P C 0.580 177.810 177.300 -0.117 0.000 1.427 289 P CA -0.256 62.345 63.100 -0.833 0.000 0.863 289 P CB -0.058 30.748 31.700 -1.489 0.000 1.444 290 W N 1.760 123.022 121.300 -0.064 0.000 2.409 290 W HA -0.074 4.586 4.660 0.000 0.000 0.299 290 W C 2.258 178.828 176.519 0.084 0.000 1.203 290 W CA 1.436 58.801 57.345 0.034 0.000 1.298 290 W CB -1.837 27.581 29.460 -0.070 0.000 1.127 290 W HN 0.151 nan 8.180 nan 0.000 0.528 291 S N -0.440 115.381 115.700 0.202 0.000 2.488 291 S HA -0.240 4.230 4.470 0.000 0.000 0.246 291 S C 1.233 175.640 174.600 -0.320 0.000 0.992 291 S CA 1.188 59.325 58.200 -0.104 0.000 0.963 291 S CB -1.132 61.904 63.200 -0.275 0.000 0.754 291 S HN 0.302 nan 8.310 nan 0.000 0.519 292 Y N -0.014 120.239 120.300 -0.079 0.000 2.462 292 Y HA 0.473 5.023 4.550 0.000 0.000 0.261 292 Y C 0.437 176.089 175.900 -0.413 0.000 1.146 292 Y CA -1.129 56.804 58.100 -0.280 0.000 1.283 292 Y CB -0.122 38.071 38.460 -0.445 0.000 1.090 292 Y HN 0.184 nan 8.280 nan 0.000 0.526 293 F N 2.103 122.102 119.950 0.082 0.000 2.440 293 F HA 0.487 5.014 4.527 0.000 0.000 0.328 293 F C -1.940 173.925 175.800 0.108 0.000 1.070 293 F CA -2.768 55.297 58.000 0.107 0.000 1.011 293 F CB 0.601 39.660 39.000 0.098 0.000 1.226 293 F HN -0.241 nan 8.300 nan 0.000 0.491 294 P HA 0.249 nan 4.420 nan 0.000 0.278 294 P C -1.357 176.115 177.300 0.286 0.000 1.258 294 P CA -0.673 62.565 63.100 0.231 0.000 0.811 294 P CB 1.286 33.089 31.700 0.172 0.000 1.063 295 K N 0.626 121.127 120.400 0.168 0.000 2.126 295 K HA 0.518 4.838 4.320 0.000 0.000 0.257 295 K C 0.006 176.668 176.600 0.104 0.000 1.007 295 K CA -0.540 55.839 56.287 0.153 0.000 0.928 295 K CB 0.508 33.048 32.500 0.067 0.000 1.013 295 K HN 0.417 nan 8.250 nan 0.000 0.473 296 I N 1.046 121.654 120.570 0.063 0.000 2.466 296 I HA 0.174 4.344 4.170 0.000 0.000 0.289 296 I C -0.683 175.388 176.117 -0.077 0.000 1.026 296 I CA -0.455 60.812 61.300 -0.056 0.000 1.078 296 I CB 2.144 40.031 38.000 -0.188 0.000 1.249 296 I HN 0.468 nan 8.210 nan 0.000 0.429 297 S N 6.455 122.081 115.700 -0.123 0.000 2.526 297 S HA 0.685 5.156 4.470 0.000 0.000 0.293 297 S C -0.543 173.903 174.600 -0.257 0.000 1.092 297 S CA -0.559 57.518 58.200 -0.204 0.000 0.980 297 S CB 2.087 65.132 63.200 -0.258 0.000 1.048 297 S HN 0.352 nan 8.310 nan 0.000 0.483 298 I N 2.636 122.991 120.570 -0.359 0.000 2.436 298 I HA 0.358 4.528 4.170 0.000 0.000 0.289 298 I C -1.419 174.394 176.117 -0.506 0.000 1.010 298 I CA -0.651 60.427 61.300 -0.370 0.000 1.098 298 I CB 1.277 39.063 38.000 -0.357 0.000 1.266 298 I HN 0.567 nan 8.210 nan 0.000 0.434 299 Y N 6.448 126.475 120.300 -0.454 0.000 2.326 299 Y HA 0.539 5.089 4.550 0.000 0.000 0.337 299 Y C -0.109 175.477 175.900 -0.523 0.000 1.023 299 Y CA -0.362 57.439 58.100 -0.498 0.000 1.143 299 Y CB 1.119 39.332 38.460 -0.413 0.000 1.183 299 Y HN 0.282 nan 8.280 nan 0.000 0.485 300 L N 3.938 124.767 121.223 -0.656 0.000 2.346 300 L HA 0.558 4.898 4.340 0.000 0.000 0.274 300 L C 0.042 176.598 176.870 -0.524 0.000 1.007 300 L CA -1.171 53.287 54.840 -0.637 0.000 0.818 300 L CB 1.934 43.453 42.059 -0.900 0.000 1.284 300 L HN 0.526 nan 8.230 nan 0.000 0.424 301 R N 1.915 122.292 120.500 -0.204 0.000 2.489 301 R HA 0.030 4.370 4.340 0.000 0.000 0.287 301 R C -0.196 176.153 176.300 0.082 0.000 1.053 301 R CA -0.173 55.901 56.100 -0.043 0.000 1.036 301 R CB 0.621 30.931 30.300 0.017 0.000 0.966 301 R HN 0.624 nan 8.270 nan 0.000 0.432 302 D N 2.575 123.101 120.400 0.210 0.000 2.377 302 D HA -0.038 4.602 4.640 0.000 0.000 0.245 302 D C 0.321 176.786 176.300 0.275 0.000 1.196 302 D CA 0.001 54.247 54.000 0.409 0.000 0.962 302 D CB 0.983 42.069 40.800 0.477 0.000 1.127 302 D HN 0.623 nan 8.370 nan 0.000 0.471 303 E N -0.162 120.201 120.200 0.273 0.000 2.267 303 E HA -0.177 4.173 4.350 0.000 0.000 0.197 303 E C 0.494 177.173 176.600 0.131 0.000 0.998 303 E CA 0.446 56.949 56.400 0.172 0.000 0.830 303 E CB -0.070 29.710 29.700 0.134 0.000 0.751 303 E HN 0.355 nan 8.360 nan 0.000 0.491 304 N N 0.533 119.324 118.700 0.152 0.000 2.918 304 N HA 0.032 4.772 4.740 0.000 0.000 0.247 304 N C 0.374 175.951 175.510 0.112 0.000 1.117 304 N CA -0.231 52.889 53.050 0.117 0.000 1.005 304 N CB 0.440 39.001 38.487 0.122 0.000 1.297 304 N HN -0.127 nan 8.380 nan 0.000 0.513 305 S N 1.163 116.916 115.700 0.088 0.000 2.545 305 S HA -0.373 4.097 4.470 0.000 0.000 0.311 305 S C 1.952 176.595 174.600 0.071 0.000 1.239 305 S CA 2.442 60.685 58.200 0.072 0.000 1.200 305 S CB -0.766 62.465 63.200 0.052 0.000 1.217 305 S HN 0.860 nan 8.310 nan 0.000 0.441 306 S N 1.891 117.632 115.700 0.068 0.000 2.440 306 S HA -0.075 4.395 4.470 0.000 0.000 0.240 306 S C 0.804 175.454 174.600 0.082 0.000 1.014 306 S CA 0.720 58.958 58.200 0.064 0.000 0.980 306 S CB -0.218 63.016 63.200 0.057 0.000 0.775 306 S HN 0.493 nan 8.310 nan 0.000 0.499 307 R N 0.506 121.074 120.500 0.113 0.000 2.923 307 R HA 0.734 5.074 4.340 0.000 0.000 0.252 307 R C -0.642 175.756 176.300 0.163 0.000 1.130 307 R CA -0.213 55.975 56.100 0.147 0.000 1.043 307 R CB 1.823 32.235 30.300 0.186 0.000 1.205 307 R HN 0.375 nan 8.270 nan 0.000 0.495 308 S N -0.008 115.805 115.700 0.188 0.000 2.596 308 S HA 0.700 5.170 4.470 0.000 0.000 0.270 308 S C -1.097 173.606 174.600 0.171 0.000 1.155 308 S CA -1.025 57.253 58.200 0.131 0.000 0.827 308 S CB 1.259 64.506 63.200 0.078 0.000 1.130 308 S HN 0.525 nan 8.310 nan 0.000 0.467 309 F N -0.817 119.077 119.950 -0.092 0.000 2.640 309 F HA 0.924 5.451 4.527 0.000 0.000 0.324 309 F C -0.528 175.032 175.800 -0.399 0.000 1.077 309 F CA -1.211 56.556 58.000 -0.388 0.000 0.965 309 F CB 1.463 39.880 39.000 -0.971 0.000 1.351 309 F HN 0.986 nan 8.300 nan 0.000 0.487 310 R N 2.299 122.605 120.500 -0.325 0.000 2.621 310 R HA 0.753 5.093 4.340 0.000 0.000 0.284 310 R C -1.628 174.434 176.300 -0.398 0.000 0.998 310 R CA -0.863 54.820 56.100 -0.695 0.000 0.895 310 R CB 2.131 31.595 30.300 -1.394 0.000 1.195 310 R HN 0.994 nan 8.270 nan 0.000 0.450 311 I N -0.051 120.238 120.570 -0.467 0.000 2.498 311 I HA 0.626 4.796 4.170 0.000 0.000 0.301 311 I C -0.950 175.075 176.117 -0.152 0.000 0.984 311 I CA -0.713 60.386 61.300 -0.334 0.000 1.204 311 I CB 2.281 39.769 38.000 -0.854 0.000 1.362 311 I HN 0.583 nan 8.210 nan 0.000 0.471 312 T N 6.219 120.880 114.554 0.177 0.000 2.933 312 T HA 0.614 4.964 4.350 0.000 0.000 0.305 312 T C -0.430 174.383 174.700 0.190 0.000 1.092 312 T CA -0.502 61.660 62.100 0.103 0.000 1.008 312 T CB 1.996 70.870 68.868 0.010 0.000 1.102 312 T HN 0.670 nan 8.240 nan 0.000 0.469 313 I N 0.575 121.218 120.570 0.121 0.000 2.509 313 I HA 0.657 4.827 4.170 0.000 0.000 0.293 313 I C -0.585 175.590 176.117 0.098 0.000 1.020 313 I CA -1.241 60.119 61.300 0.100 0.000 1.088 313 I CB 1.180 39.271 38.000 0.151 0.000 1.267 313 I HN 0.404 nan 8.210 nan 0.000 0.430 314 L N 5.562 126.787 121.223 0.004 0.000 2.454 314 L HA 0.416 4.756 4.340 0.000 0.000 0.256 314 L C -1.111 175.694 176.870 -0.110 0.000 1.136 314 L CA -1.664 53.160 54.840 -0.027 0.000 0.804 314 L CB 0.550 42.533 42.059 -0.126 0.000 1.181 314 L HN 0.466 nan 8.230 nan 0.000 0.469 315 P HA -0.193 nan 4.420 nan 0.000 0.220 315 P C 0.891 177.716 177.300 -0.793 0.000 1.144 315 P CA 1.224 63.874 63.100 -0.751 0.000 0.800 315 P CB 0.246 31.697 31.700 -0.415 0.000 0.772 316 Q N -0.449 118.782 119.800 -0.949 0.000 2.291 316 Q HA -0.043 4.297 4.340 0.000 0.000 0.206 316 Q C 2.187 177.907 176.000 -0.466 0.000 0.976 316 Q CA 1.090 56.159 55.803 -1.223 0.000 0.875 316 Q CB -0.744 27.235 28.738 -1.266 0.000 0.927 316 Q HN 0.342 nan 8.270 nan 0.000 0.450 317 L N -1.217 119.837 121.223 -0.281 0.000 2.477 317 L HA 0.048 4.389 4.340 0.000 0.000 0.220 317 L C 1.108 178.017 176.870 0.065 0.000 1.106 317 L CA 0.420 55.222 54.840 -0.064 0.000 0.851 317 L CB 0.030 42.084 42.059 -0.008 0.000 0.994 317 L HN 0.383 nan 8.230 nan 0.000 0.462 318 Y N -2.331 117.951 120.300 -0.031 0.000 2.500 318 Y HA 0.439 4.989 4.550 0.000 0.000 0.246 318 Y C 0.626 176.573 175.900 0.078 0.000 1.146 318 Y CA -0.613 57.477 58.100 -0.017 0.000 1.230 318 Y CB 0.362 38.782 38.460 -0.067 0.000 1.214 318 Y HN -0.157 nan 8.280 nan 0.000 0.526 319 I N 3.559 124.085 120.570 -0.073 0.000 2.778 319 I HA 0.252 4.422 4.170 0.000 0.000 0.285 319 I C -0.778 175.574 176.117 0.392 0.000 1.236 319 I CA -0.716 60.657 61.300 0.122 0.000 1.089 319 I CB 0.485 38.333 38.000 -0.254 0.000 1.601 319 I HN 0.310 nan 8.210 nan 0.000 0.573 320 Q N 6.065 126.087 119.800 0.369 0.000 2.304 320 Q HA 0.279 4.619 4.340 0.000 0.000 0.260 320 Q C -2.198 174.057 176.000 0.424 0.000 0.965 320 Q CA -1.394 54.627 55.803 0.363 0.000 0.898 320 Q CB 0.774 29.646 28.738 0.223 0.000 1.196 320 Q HN 0.306 nan 8.270 nan 0.000 0.402 321 P HA 0.202 nan 4.420 nan 0.000 0.281 321 P C -0.922 176.380 177.300 0.003 0.000 1.249 321 P CA -0.177 62.956 63.100 0.056 0.000 0.810 321 P CB 1.122 32.867 31.700 0.076 0.000 1.008 322 M N 1.684 121.220 119.600 -0.107 0.000 2.644 322 M HA 0.341 4.821 4.480 0.000 0.000 0.304 322 M C 0.249 176.504 176.300 -0.075 0.000 1.215 322 M CA -1.310 53.960 55.300 -0.049 0.000 0.871 322 M CB 1.683 34.267 32.600 -0.026 0.000 1.740 322 M HN 0.342 nan 8.290 nan 0.000 0.464 323 M N 1.741 121.318 119.600 -0.038 0.000 2.226 323 M HA 0.064 4.544 4.480 0.000 0.000 0.352 323 M C 1.106 177.375 176.300 -0.051 0.000 1.226 323 M CA 1.078 56.357 55.300 -0.036 0.000 0.943 323 M CB 0.176 32.762 32.600 -0.023 0.000 1.805 323 M HN 0.844 nan 8.290 nan 0.000 0.465 324 G N 4.463 113.232 108.800 -0.052 0.000 2.771 324 G HA2 0.223 4.184 3.960 0.000 0.000 0.214 324 G HA3 0.223 4.184 3.960 0.000 0.000 0.214 324 G C 0.423 175.294 174.900 -0.048 0.000 1.331 324 G CA 0.952 46.020 45.100 -0.053 0.000 0.812 324 G HN 1.998 nan 8.290 nan 0.000 0.628 325 A N -2.507 120.282 122.820 -0.053 0.000 2.431 325 A HA 0.466 4.786 4.320 0.000 0.000 0.685 325 A C 1.503 179.060 177.584 -0.045 0.000 0.140 325 A CA 1.148 53.158 52.037 -0.045 0.000 0.038 325 A CB -1.171 17.809 19.000 -0.033 0.000 3.966 325 A HN 2.821 nan 8.150 nan 0.000 0.547 326 G N -0.072 108.700 108.800 -0.047 0.000 2.498 326 G HA2 0.114 4.074 3.960 0.000 0.000 0.251 326 G HA3 0.114 4.074 3.960 0.000 0.000 0.251 326 G C 0.552 175.419 174.900 -0.056 0.000 1.170 326 G CA 0.463 45.537 45.100 -0.043 0.000 0.944 326 G HN 2.369 nan 8.290 nan 0.000 0.567 327 L N 2.409 123.607 121.223 -0.042 0.000 2.628 327 L HA 0.426 4.766 4.340 0.000 0.000 0.229 327 L C 0.713 177.576 176.870 -0.012 0.000 1.137 327 L CA -0.289 54.528 54.840 -0.039 0.000 0.909 327 L CB -0.657 41.389 42.059 -0.022 0.000 1.137 327 L HN 0.480 nan 8.230 nan 0.000 0.470 328 N N -1.337 117.357 118.700 -0.010 0.000 2.473 328 N HA 0.065 4.806 4.740 0.000 0.000 0.291 328 N C 0.290 175.832 175.510 0.052 0.000 1.083 328 N CA -0.298 52.790 53.050 0.063 0.000 0.951 328 N CB 1.052 39.562 38.487 0.038 0.000 1.164 328 N HN -0.016 nan 8.380 nan 0.000 0.480 329 Y N 0.595 120.909 120.300 0.024 0.000 2.220 329 Y HA -0.085 4.465 4.550 0.000 0.000 0.291 329 Y C 1.112 176.989 175.900 -0.038 0.000 1.129 329 Y CA 1.023 59.132 58.100 0.015 0.000 1.161 329 Y CB 0.401 38.897 38.460 0.060 0.000 0.997 329 Y HN 0.554 nan 8.280 nan 0.000 0.522 330 E N -2.326 117.927 120.200 0.089 0.000 2.427 330 E HA 0.315 4.665 4.350 0.000 0.000 0.279 330 E C -1.787 174.674 176.600 -0.231 0.000 1.120 330 E CA -0.777 55.545 56.400 -0.130 0.000 0.869 330 E CB 0.984 30.523 29.700 -0.268 0.000 1.393 330 E HN -0.045 nan 8.360 nan 0.000 0.443 331 c N 0.276 118.684 118.600 -0.319 0.000 2.614 331 c HA 0.789 5.360 4.570 0.000 0.000 0.320 331 c C -1.147 172.733 174.090 -0.349 0.000 1.200 331 c CA -0.526 55.672 56.329 -0.219 0.000 1.700 331 c CB 0.262 42.737 42.510 -0.058 0.000 2.275 331 c HN 0.619 nan 8.230 nan 0.000 0.492 332 Y N 0.688 121.064 120.300 0.127 0.000 2.446 332 Y HA 0.676 5.226 4.550 0.000 0.000 0.345 332 Y C 0.425 176.536 175.900 0.351 0.000 0.984 332 Y CA -0.857 57.374 58.100 0.218 0.000 1.058 332 Y CB 1.142 39.748 38.460 0.244 0.000 1.220 332 Y HN 0.648 nan 8.280 nan 0.000 0.455 333 R N 1.218 121.989 120.500 0.452 0.000 2.787 333 R HA 0.616 4.957 4.340 0.000 0.000 0.271 333 R C -1.549 174.922 176.300 0.284 0.000 0.993 333 R CA -0.739 55.540 56.100 0.298 0.000 0.993 333 R CB 1.259 31.656 30.300 0.161 0.000 1.155 333 R HN 0.536 nan 8.270 nan 0.000 0.486 334 F N 1.718 121.491 119.950 -0.295 0.000 2.445 334 F HA 0.366 4.893 4.527 0.000 0.000 0.359 334 F C 0.901 176.744 175.800 0.071 0.000 1.101 334 F CA -0.809 57.081 58.000 -0.184 0.000 1.177 334 F CB 1.420 40.125 39.000 -0.491 0.000 1.110 334 F HN 0.844 nan 8.300 nan 0.000 0.522 335 G N 7.001 115.727 108.800 -0.124 0.000 3.210 335 G HA2 0.169 4.129 3.960 0.000 0.000 0.220 335 G HA3 0.169 4.129 3.960 0.000 0.000 0.220 335 G C 0.197 174.899 174.900 -0.330 0.000 1.200 335 G CA -0.026 44.993 45.100 -0.135 0.000 0.834 335 G HN 0.529 nan 8.290 nan 0.000 0.524 336 I N 0.208 120.322 120.570 -0.760 0.000 2.498 336 I HA 0.423 4.593 4.170 0.000 0.000 0.290 336 I C -0.546 175.585 176.117 0.023 0.000 1.032 336 I CA -0.736 60.293 61.300 -0.451 0.000 1.073 336 I CB 2.385 40.005 38.000 -0.634 0.000 1.251 336 I HN -0.018 nan 8.210 nan 0.000 0.426 337 S N 7.192 122.904 115.700 0.020 0.000 2.542 337 S HA 0.674 5.144 4.470 0.000 0.000 0.293 337 S C -2.849 171.470 174.600 -0.469 0.000 1.089 337 S CA -1.650 56.450 58.200 -0.165 0.000 0.961 337 S CB 2.306 65.439 63.200 -0.111 0.000 1.062 337 S HN 0.376 nan 8.310 nan 0.000 0.483 338 P HA 0.289 nan 4.420 nan 0.000 0.284 338 P C -0.950 176.159 177.300 -0.320 0.000 1.253 338 P CA -0.321 62.289 63.100 -0.817 0.000 0.800 338 P CB 1.512 32.579 31.700 -1.054 0.000 0.961 339 S N 1.518 117.119 115.700 -0.165 0.000 2.607 339 S HA 0.450 4.920 4.470 0.000 0.000 0.303 339 S C 1.048 175.614 174.600 -0.058 0.000 1.086 339 S CA -0.323 57.820 58.200 -0.095 0.000 0.995 339 S CB 1.046 64.205 63.200 -0.067 0.000 1.084 339 S HN 0.372 nan 8.310 nan 0.000 0.507 340 T N 2.082 116.610 114.554 -0.044 0.000 2.781 340 T HA 0.236 4.586 4.350 0.000 0.000 0.252 340 T C 0.133 174.825 174.700 -0.013 0.000 1.039 340 T CA 0.685 62.771 62.100 -0.023 0.000 1.147 340 T CB -0.286 68.571 68.868 -0.018 0.000 0.865 340 T HN 0.630 nan 8.240 nan 0.000 0.423 341 N N 1.233 119.922 118.700 -0.019 0.000 2.675 341 N HA 0.583 5.323 4.740 0.000 0.000 0.254 341 N C -1.435 174.056 175.510 -0.033 0.000 1.224 341 N CA 0.068 53.112 53.050 -0.011 0.000 0.777 341 N CB 1.730 40.219 38.487 0.003 0.000 1.256 341 N HN 0.444 nan 8.380 nan 0.000 0.531 342 A N 0.847 123.648 122.820 -0.030 0.000 2.360 342 A HA 0.174 4.495 4.320 0.000 0.000 0.290 342 A C -2.265 175.295 177.584 -0.040 0.000 0.839 342 A CA -0.805 51.197 52.037 -0.058 0.000 0.632 342 A CB -0.032 18.885 19.000 -0.138 0.000 1.121 342 A HN 0.295 nan 8.150 nan 0.000 0.346 343 L N 2.505 123.711 121.223 -0.028 0.000 2.295 343 L HA 0.704 5.044 4.340 0.000 0.000 0.281 343 L C -0.796 176.053 176.870 -0.034 0.000 1.018 343 L CA -0.421 54.415 54.840 -0.007 0.000 0.841 343 L CB 1.281 43.359 42.059 0.033 0.000 1.218 343 L HN 0.701 nan 8.230 nan 0.000 0.424 344 V N 6.902 126.789 119.914 -0.043 0.000 2.328 344 V HA 0.357 4.477 4.120 0.000 0.000 0.278 344 V C 0.546 176.634 176.094 -0.011 0.000 1.021 344 V CA -0.454 61.819 62.300 -0.045 0.000 0.838 344 V CB 1.146 32.927 31.823 -0.069 0.000 0.999 344 V HN 0.550 nan 8.190 nan 0.000 0.447 345 I N 5.427 126.006 120.570 0.015 0.000 2.293 345 I HA 0.300 4.470 4.170 0.000 0.000 0.299 345 I C 1.253 177.406 176.117 0.059 0.000 1.153 345 I CA 0.422 61.744 61.300 0.037 0.000 1.302 345 I CB 0.216 38.255 38.000 0.064 0.000 1.460 345 I HN 0.733 nan 8.210 nan 0.000 0.552 346 G N 3.275 112.102 108.800 0.045 0.000 2.574 346 G HA2 0.443 4.404 3.960 0.000 0.000 0.248 346 G HA3 0.443 4.404 3.960 0.000 0.000 0.248 346 G C 1.083 176.032 174.900 0.081 0.000 1.422 346 G CA 0.215 45.349 45.100 0.057 0.000 1.051 346 G HN 0.564 nan 8.290 nan 0.000 0.560 347 A N -0.915 121.958 122.820 0.089 0.000 1.892 347 A HA -0.167 4.153 4.320 0.000 0.000 0.218 347 A C 2.594 180.250 177.584 0.119 0.000 1.188 347 A CA 3.412 55.521 52.037 0.119 0.000 0.631 347 A CB -1.515 17.583 19.000 0.164 0.000 0.822 347 A HN 1.226 nan 8.150 nan 0.000 0.447 348 T N -2.081 112.531 114.554 0.097 0.000 2.822 348 T HA -0.126 4.224 4.350 0.000 0.000 0.270 348 T C 1.559 176.327 174.700 0.113 0.000 1.064 348 T CA 2.161 64.318 62.100 0.095 0.000 1.131 348 T CB -0.397 68.510 68.868 0.064 0.000 0.858 348 T HN 0.114 nan 8.240 nan 0.000 0.483 349 V N 0.327 120.316 119.914 0.125 0.000 2.672 349 V HA 0.231 4.351 4.120 0.000 0.000 0.242 349 V C 2.644 178.920 176.094 0.304 0.000 1.059 349 V CA 1.245 63.660 62.300 0.192 0.000 1.081 349 V CB -0.325 31.576 31.823 0.129 0.000 0.752 349 V HN 0.447 nan 8.190 nan 0.000 0.472 350 M N -0.298 119.437 119.600 0.224 0.000 2.358 350 M HA -0.182 4.298 4.480 0.000 0.000 0.264 350 M C 1.974 178.386 176.300 0.187 0.000 1.064 350 M CA 1.460 56.901 55.300 0.236 0.000 1.093 350 M CB -0.338 32.333 32.600 0.119 0.000 1.401 350 M HN 0.308 nan 8.290 nan 0.000 0.440 351 E N -0.005 120.268 120.200 0.123 0.000 2.401 351 E HA -0.129 4.221 4.350 0.000 0.000 0.199 351 E C 1.688 178.286 176.600 -0.003 0.000 1.023 351 E CA 0.940 57.373 56.400 0.055 0.000 0.859 351 E CB -0.015 29.736 29.700 0.085 0.000 0.780 351 E HN 0.556 nan 8.360 nan 0.000 0.523 352 G N -1.016 107.776 108.800 -0.013 0.000 3.126 352 G HA2 0.152 4.112 3.960 0.000 0.000 0.224 352 G HA3 0.152 4.112 3.960 0.000 0.000 0.224 352 G C -0.054 174.395 174.900 -0.751 0.000 1.142 352 G CA -0.206 44.659 45.100 -0.391 0.000 0.759 352 G HN 0.013 nan 8.290 nan 0.000 0.550 353 F N -2.073 117.920 119.950 0.072 0.000 2.706 353 F HA 0.528 5.056 4.527 0.000 0.000 0.328 353 F C -1.127 174.735 175.800 0.104 0.000 1.123 353 F CA -1.953 56.111 58.000 0.107 0.000 0.978 353 F CB 1.190 40.304 39.000 0.190 0.000 1.404 353 F HN -0.136 nan 8.300 nan 0.000 0.497 354 Y N 2.077 122.459 120.300 0.135 0.000 2.417 354 Y HA 0.666 5.217 4.550 0.000 0.000 0.336 354 Y C -1.028 174.752 175.900 -0.200 0.000 0.961 354 Y CA -1.800 56.275 58.100 -0.042 0.000 1.215 354 Y CB 0.496 38.924 38.460 -0.053 0.000 1.120 354 Y HN 0.282 nan 8.280 nan 0.000 0.499 355 V N 8.245 127.957 119.914 -0.338 0.000 2.439 355 V HA 0.333 4.453 4.120 0.000 0.000 0.282 355 V C 0.157 175.664 176.094 -0.979 0.000 1.039 355 V CA -0.634 61.178 62.300 -0.814 0.000 0.913 355 V CB 1.269 32.608 31.823 -0.806 0.000 0.983 355 V HN 0.616 nan 8.190 nan 0.000 0.460 356 I N 5.255 125.163 120.570 -1.103 0.000 2.354 356 I HA 0.369 4.539 4.170 0.000 0.000 0.286 356 I C -0.840 174.720 176.117 -0.928 0.000 1.007 356 I CA -0.186 60.590 61.300 -0.873 0.000 1.167 356 I CB 1.140 38.750 38.000 -0.650 0.000 1.320 356 I HN 0.483 nan 8.210 nan 0.000 0.458 357 F N 4.295 123.732 119.950 -0.856 0.000 2.451 357 F HA 0.158 4.685 4.527 0.000 0.000 0.356 357 F C 0.918 176.371 175.800 -0.578 0.000 1.178 357 F CA -0.464 56.960 58.000 -0.961 0.000 1.210 357 F CB 0.125 38.005 39.000 -1.867 0.000 1.504 357 F HN 0.402 nan 8.300 nan 0.000 0.598 358 D N 3.266 123.563 120.400 -0.171 0.000 2.619 358 D HA 0.086 4.727 4.640 0.000 0.000 0.224 358 D C 1.431 177.781 176.300 0.084 0.000 1.133 358 D CA 0.086 54.065 54.000 -0.034 0.000 1.017 358 D CB 0.196 40.962 40.800 -0.056 0.000 1.077 358 D HN 0.473 nan 8.370 nan 0.000 0.503 359 R N 0.996 121.601 120.500 0.175 0.000 2.127 359 R HA -0.147 4.193 4.340 0.000 0.000 0.238 359 R C 2.148 178.599 176.300 0.251 0.000 1.134 359 R CA 1.462 57.761 56.100 0.332 0.000 0.975 359 R CB -0.017 30.530 30.300 0.412 0.000 0.865 359 R HN 0.286 nan 8.270 nan 0.000 0.447 360 A N 1.123 124.047 122.820 0.174 0.000 1.877 360 A HA -0.189 4.131 4.320 0.000 0.000 0.216 360 A C 1.644 179.269 177.584 0.068 0.000 1.186 360 A CA 1.267 53.374 52.037 0.116 0.000 0.620 360 A CB -0.226 18.826 19.000 0.085 0.000 0.822 360 A HN 0.338 nan 8.150 nan 0.000 0.443 361 Q N -1.133 118.683 119.800 0.026 0.000 2.212 361 Q HA 0.212 4.552 4.340 0.000 0.000 0.213 361 Q C -0.434 175.569 176.000 0.005 0.000 0.874 361 Q CA -0.149 55.642 55.803 -0.020 0.000 0.965 361 Q CB 0.152 28.823 28.738 -0.111 0.000 1.074 361 Q HN 0.576 nan 8.270 nan 0.000 0.473 362 K N 1.951 122.397 120.400 0.076 0.000 3.490 362 K HA -0.251 4.069 4.320 0.000 0.000 0.273 362 K C -0.993 175.672 176.600 0.109 0.000 0.916 362 K CA 0.610 56.967 56.287 0.117 0.000 0.718 362 K CB -0.751 31.795 32.500 0.076 0.000 1.477 362 K HN 0.479 nan 8.250 nan 0.000 0.452 363 R N -1.988 118.575 120.500 0.105 0.000 2.692 363 R HA 0.593 4.933 4.340 0.000 0.000 0.269 363 R C -1.413 174.956 176.300 0.115 0.000 1.030 363 R CA -1.295 54.875 56.100 0.116 0.000 0.882 363 R CB 1.436 31.756 30.300 0.033 0.000 1.250 363 R HN -0.053 nan 8.270 nan 0.000 0.465 364 V N 0.782 120.782 119.914 0.144 0.000 2.487 364 V HA 0.720 4.840 4.120 0.000 0.000 0.298 364 V C 0.074 176.160 176.094 -0.013 0.000 1.028 364 V CA -0.348 61.894 62.300 -0.096 0.000 0.860 364 V CB 1.800 33.510 31.823 -0.189 0.000 0.991 364 V HN 0.938 nan 8.190 nan 0.000 0.427 365 G N 2.867 111.448 108.800 -0.364 0.000 2.453 365 G HA2 0.779 4.739 3.960 0.000 0.000 0.323 365 G HA3 0.779 4.739 3.960 0.000 0.000 0.323 365 G C -1.549 172.942 174.900 -0.682 0.000 1.198 365 G CA -0.373 44.340 45.100 -0.644 0.000 0.959 365 G HN 0.345 nan 8.290 nan 0.000 0.482 366 F N 0.042 119.683 119.950 -0.515 0.000 2.577 366 F HA 0.809 5.337 4.527 0.000 0.000 0.318 366 F C 0.409 176.073 175.800 -0.226 0.000 1.065 366 F CA -0.878 56.922 58.000 -0.334 0.000 0.929 366 F CB 2.753 41.582 39.000 -0.284 0.000 1.237 366 F HN 0.707 nan 8.300 nan 0.000 0.468 367 A N 0.940 123.868 122.820 0.179 0.000 2.520 367 A HA 0.793 5.113 4.320 0.000 0.000 0.298 367 A C -1.114 176.695 177.584 0.376 0.000 1.051 367 A CA -0.743 51.421 52.037 0.212 0.000 0.690 367 A CB 0.952 19.954 19.000 0.004 0.000 1.281 367 A HN 1.183 nan 8.150 nan 0.000 0.402 368 A N 1.224 124.234 122.820 0.316 0.000 2.561 368 A HA 0.459 4.779 4.320 0.000 0.000 0.251 368 A C 0.672 178.319 177.584 0.105 0.000 1.062 368 A CA 0.963 53.096 52.037 0.162 0.000 0.761 368 A CB -0.263 18.807 19.000 0.116 0.000 0.986 368 A HN 1.570 nan 8.150 nan 0.000 0.510 369 S N 3.983 119.668 115.700 -0.025 0.000 2.411 369 S HA 0.446 4.916 4.470 0.000 0.000 0.294 369 S C -1.384 173.176 174.600 -0.067 0.000 1.115 369 S CA -1.536 56.650 58.200 -0.024 0.000 1.071 369 S CB 0.535 63.709 63.200 -0.042 0.000 0.967 369 S HN 0.525 nan 8.310 nan 0.000 0.488 370 P HA -0.131 nan 4.420 nan 0.000 0.214 370 P C 1.763 179.025 177.300 -0.062 0.000 1.163 370 P CA 1.289 64.355 63.100 -0.057 0.000 0.889 370 P CB -0.248 31.417 31.700 -0.059 0.000 0.790 371 c N -1.123 117.439 118.600 -0.063 0.000 2.413 371 c HA 0.160 4.730 4.570 0.000 0.000 0.292 371 c C 1.908 175.968 174.090 -0.051 0.000 1.435 371 c CA -0.154 56.145 56.329 -0.049 0.000 1.791 371 c CB -2.181 40.303 42.510 -0.044 0.000 1.784 371 c HN 0.191 nan 8.230 nan 0.000 0.548 372 A N 1.301 124.075 122.820 -0.077 0.000 3.117 372 A HA 0.390 4.710 4.320 0.000 0.000 0.255 372 A C 0.655 178.176 177.584 -0.104 0.000 1.583 372 A CA 0.118 52.096 52.037 -0.099 0.000 1.234 372 A CB -0.604 18.301 19.000 -0.160 0.000 1.076 372 A HN 0.798 nan 8.150 nan 0.000 0.653 373 E N 0.860 121.016 120.200 -0.073 0.000 2.263 373 E HA 0.546 4.896 4.350 0.000 0.000 0.264 373 E C -1.624 174.942 176.600 -0.057 0.000 0.923 373 E CA -0.629 55.730 56.400 -0.069 0.000 0.802 373 E CB 1.280 30.951 29.700 -0.048 0.000 1.228 373 E HN 0.097 nan 8.360 nan 0.000 0.417 374 I N 2.214 122.749 120.570 -0.057 0.000 2.540 374 I HA 0.252 4.422 4.170 0.000 0.000 0.280 374 I C -0.120 175.998 176.117 0.003 0.000 1.083 374 I CA 0.033 61.315 61.300 -0.030 0.000 1.080 374 I CB 0.506 38.450 38.000 -0.094 0.000 1.205 374 I HN 0.788 nan 8.210 nan 0.000 0.459 375 A N 4.447 127.282 122.820 0.025 0.000 3.009 375 A HA 0.002 4.322 4.320 0.000 0.000 0.264 375 A C 1.342 178.935 177.584 0.014 0.000 1.408 375 A CA 1.290 53.347 52.037 0.034 0.000 0.789 375 A CB -1.841 17.193 19.000 0.057 0.000 1.040 375 A HN 2.135 nan 8.150 nan 0.000 0.576 376 G N -2.854 105.947 108.800 0.001 0.000 2.153 376 G HA2 0.227 4.187 3.960 0.000 0.000 0.252 376 G HA3 0.227 4.187 3.960 0.000 0.000 0.252 376 G C 0.672 175.562 174.900 -0.016 0.000 0.994 376 G CA 1.320 46.416 45.100 -0.007 0.000 0.698 376 G HN 2.645 nan 8.290 nan 0.000 0.521 377 A N -0.348 122.457 122.820 -0.025 0.000 2.331 377 A HA 0.969 5.289 4.320 0.000 0.000 0.320 377 A C 0.548 178.094 177.584 -0.064 0.000 1.138 377 A CA 0.585 52.599 52.037 -0.038 0.000 0.790 377 A CB 1.235 20.215 19.000 -0.033 0.000 1.206 377 A HN 2.046 nan 8.150 nan 0.000 0.470 378 A N 1.444 124.226 122.820 -0.064 0.000 2.511 378 A HA 0.398 4.718 4.320 0.000 0.000 0.242 378 A C 0.754 178.269 177.584 -0.115 0.000 1.069 378 A CA 0.412 52.399 52.037 -0.085 0.000 0.763 378 A CB 0.391 19.351 19.000 -0.067 0.000 1.001 378 A HN 1.752 nan 8.150 nan 0.000 0.498 379 V N 2.137 121.960 119.914 -0.151 0.000 3.528 379 V HA 0.233 4.354 4.120 0.000 0.000 0.294 379 V C 0.476 176.459 176.094 -0.185 0.000 1.404 379 V CA 1.257 63.446 62.300 -0.184 0.000 1.065 379 V CB -0.335 31.360 31.823 -0.214 0.000 0.904 379 V HN 1.187 nan 8.190 nan 0.000 0.435 380 S N -0.774 114.801 115.700 -0.209 0.000 2.556 380 S HA 0.770 5.240 4.470 0.000 0.000 0.271 380 S C -1.080 173.421 174.600 -0.165 0.000 1.135 380 S CA -0.801 57.239 58.200 -0.266 0.000 0.858 380 S CB 2.620 65.410 63.200 -0.684 0.000 1.114 380 S HN 0.300 nan 8.310 nan 0.000 0.468 381 E N 0.304 120.490 120.200 -0.024 0.000 2.393 381 E HA 0.725 5.076 4.350 0.000 0.000 0.273 381 E C -1.456 175.268 176.600 0.207 0.000 0.918 381 E CA -0.839 55.598 56.400 0.061 0.000 0.773 381 E CB 2.702 32.423 29.700 0.035 0.000 1.275 381 E HN 0.666 nan 8.360 nan 0.000 0.451 382 I N 1.303 121.976 120.570 0.172 0.000 2.692 382 I HA 0.476 4.646 4.170 0.000 0.000 0.293 382 I C -1.703 174.451 176.117 0.062 0.000 1.200 382 I CA -0.106 61.281 61.300 0.146 0.000 1.036 382 I CB 1.493 39.649 38.000 0.260 0.000 1.258 382 I HN 0.723 nan 8.210 nan 0.000 0.421 383 S N 4.417 120.080 115.700 -0.062 0.000 2.587 383 S HA 1.017 5.488 4.470 0.000 0.000 0.269 383 S C -0.703 173.708 174.600 -0.315 0.000 1.154 383 S CA -0.130 58.021 58.200 -0.082 0.000 0.824 383 S CB 1.797 65.023 63.200 0.044 0.000 1.118 383 S HN 1.332 nan 8.310 nan 0.000 0.462 384 G N 0.373 108.894 108.800 -0.464 0.000 2.320 384 G HA2 0.617 4.577 3.960 0.000 0.000 0.296 384 G HA3 0.617 4.577 3.960 0.000 0.000 0.296 384 G C -3.553 171.165 174.900 -0.302 0.000 1.306 384 G CA -0.529 44.130 45.100 -0.735 0.000 0.836 384 G HN 0.778 nan 8.290 nan 0.000 0.517 385 P HA 0.751 nan 4.420 nan 0.000 0.287 385 P C -1.402 175.718 177.300 -0.301 0.000 1.270 385 P CA -0.498 62.499 63.100 -0.171 0.000 0.844 385 P CB 1.552 33.362 31.700 0.184 0.000 1.068 386 F N -0.624 119.336 119.950 0.017 0.000 2.483 386 F HA 0.358 4.885 4.527 0.000 0.000 0.329 386 F C 1.366 177.185 175.800 0.030 0.000 1.064 386 F CA -0.681 57.344 58.000 0.041 0.000 0.986 386 F CB 1.464 40.523 39.000 0.099 0.000 1.218 386 F HN 0.167 nan 8.300 nan 0.000 0.484 387 S N -0.009 115.806 115.700 0.193 0.000 2.528 387 S HA 0.188 4.658 4.470 0.000 0.000 0.277 387 S C 0.901 175.543 174.600 0.069 0.000 1.297 387 S CA 0.107 58.369 58.200 0.103 0.000 1.052 387 S CB 0.534 63.774 63.200 0.067 0.000 0.917 387 S HN 0.850 nan 8.310 nan 0.000 0.492 388 T N 1.441 116.026 114.554 0.051 0.000 3.023 388 T HA 0.212 4.562 4.350 0.000 0.000 0.249 388 T C 0.236 174.939 174.700 0.005 0.000 1.050 388 T CA -0.101 62.008 62.100 0.015 0.000 1.088 388 T CB -0.203 68.680 68.868 0.026 0.000 0.946 388 T HN 0.615 nan 8.240 nan 0.000 0.480 389 E N 3.488 123.699 120.200 0.019 0.000 1.909 389 E HA 0.095 4.445 4.350 0.000 0.000 0.253 389 E C 0.242 176.844 176.600 0.003 0.000 1.268 389 E CA 0.679 57.086 56.400 0.012 0.000 0.999 389 E CB -0.069 29.642 29.700 0.020 0.000 1.072 389 E HN 0.872 nan 8.360 nan 0.000 0.428 390 D N -0.378 120.017 120.400 -0.008 0.000 1.502 390 D HA -0.091 4.549 4.640 0.000 0.000 0.842 390 D C -0.023 176.262 176.300 -0.025 0.000 0.381 390 D CA -0.008 53.982 54.000 -0.016 0.000 1.367 390 D CB 0.114 40.902 40.800 -0.020 0.000 0.980 390 D HN 0.112 nan 8.370 nan 0.000 0.382 391 V N 1.411 121.305 119.914 -0.033 0.000 2.808 391 V HA 0.769 4.889 4.120 0.000 0.000 0.308 391 V C 0.535 176.611 176.094 -0.031 0.000 1.099 391 V CA 0.102 62.379 62.300 -0.038 0.000 0.920 391 V CB 0.958 32.745 31.823 -0.060 0.000 1.014 391 V HN 0.972 nan 8.190 nan 0.000 0.425 392 A N 3.711 126.517 122.820 -0.023 0.000 5.055 392 A HA 0.178 4.498 4.320 0.000 0.000 0.228 392 A C 0.835 178.415 177.584 -0.007 0.000 2.448 392 A CA 1.109 53.138 52.037 -0.013 0.000 0.709 392 A CB -1.803 17.191 19.000 -0.011 0.000 0.854 392 A HN 2.046 nan 8.150 nan 0.000 0.303 393 S N -1.914 113.787 115.700 0.000 0.000 1.492 393 S HA -0.037 4.433 4.470 0.000 0.000 0.252 393 S C -0.208 174.398 174.600 0.010 0.000 0.575 393 S CA 1.216 59.419 58.200 0.005 0.000 0.913 393 S CB -0.934 62.266 63.200 0.001 0.000 0.734 393 S HN 2.367 nan 8.310 nan 0.000 0.488 394 N N -0.239 118.466 118.700 0.009 0.000 2.752 394 N HA 0.372 5.112 4.740 0.000 0.000 0.268 394 N C -0.580 174.940 175.510 0.015 0.000 1.190 394 N CA -0.009 53.050 53.050 0.015 0.000 0.897 394 N CB 0.621 39.115 38.487 0.013 0.000 1.515 394 N HN 0.318 nan 8.380 nan 0.000 0.567 395 c N 1.884 120.499 118.600 0.024 0.000 2.613 395 c HA 0.210 4.781 4.570 0.000 0.000 0.273 395 c C 0.776 174.888 174.090 0.037 0.000 1.304 395 c CA -0.407 55.939 56.329 0.028 0.000 1.702 395 c CB -1.727 40.812 42.510 0.048 0.000 1.792 395 c HN 0.559 nan 8.230 nan 0.000 0.588 396 V N 0.413 120.351 119.914 0.039 0.000 2.288 396 V HA 0.380 4.501 4.120 0.000 0.000 0.266 396 V C -2.094 174.021 176.094 0.034 0.000 1.048 396 V CA -2.103 60.227 62.300 0.050 0.000 0.842 396 V CB -0.272 31.590 31.823 0.064 0.000 1.064 396 V HN 0.133 nan 8.190 nan 0.000 0.472 397 P HA 0.295 nan 4.420 nan 0.000 0.266 397 P C 0.003 177.315 177.300 0.020 0.000 1.195 397 P CA 0.466 63.577 63.100 0.018 0.000 0.768 397 P CB 1.284 32.993 31.700 0.014 0.000 0.838 398 A N 0.000 122.825 122.820 0.008 0.000 2.254 398 A HA 0.000 4.320 4.320 0.000 0.000 0.244 398 A CA 0.000 52.038 52.037 0.001 0.000 0.836 398 A CB 0.000 18.995 19.000 -0.008 0.000 0.831 398 A HN 0.000 nan 8.150 nan 0.000 0.486