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_B 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 0.849 123.650 122.820 -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 51.750 52.037 -0.015 0.000 0.995 17 A CB 0.019 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 0.378 119.981 119.600 0.004 0.000 2.419 18 M HA 0.148 4.628 4.480 0.000 0.000 0.252 18 M C -0.140 176.182 176.300 0.036 0.000 1.143 18 M CA 0.092 55.410 55.300 0.028 0.000 0.985 18 M CB 0.445 33.077 32.600 0.053 0.000 1.489 18 M HN 0.201 nan 8.290 nan 0.000 0.484 19 V N 2.468 122.394 119.914 0.019 0.000 2.763 19 V HA -0.079 4.041 4.120 0.000 0.000 0.306 19 V C 0.605 176.704 176.094 0.010 0.000 1.059 19 V CA 0.665 62.970 62.300 0.008 0.000 1.138 19 V CB 0.288 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 2.440 122.844 120.400 0.006 0.000 3.012 20 D HA -0.178 4.463 4.640 0.000 0.000 0.222 20 D C 1.037 177.347 176.300 0.017 0.000 1.167 20 D CA 1.251 55.256 54.000 0.009 0.000 0.854 20 D CB -0.986 39.818 40.800 0.006 0.000 1.107 20 D HN 0.931 nan 8.370 nan 0.000 0.421 21 N N 0.399 119.115 118.700 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 0.268 53.341 53.050 0.038 0.000 0.878 21 N CB 0.146 38.671 38.487 0.063 0.000 0.972 21 N HN 0.356 nan 8.380 nan 0.000 0.456 22 L N 0.264 121.490 121.223 0.004 0.000 2.362 22 L HA 0.438 4.778 4.340 0.000 0.000 0.271 22 L C -0.170 176.634 176.870 -0.111 0.000 1.002 22 L CA -0.723 54.096 54.840 -0.034 0.000 0.818 22 L CB 2.144 44.228 42.059 0.042 0.000 1.298 22 L HN -0.003 nan 8.230 nan 0.000 0.420 23 Q N 0.914 120.472 119.800 -0.404 0.000 2.351 23 Q HA 0.808 5.148 4.340 0.000 0.000 0.273 23 Q C -0.177 175.373 176.000 -0.751 0.000 1.077 23 Q CA -0.588 54.893 55.803 -0.537 0.000 0.843 23 Q CB 3.020 31.381 28.738 -0.627 0.000 1.367 23 Q HN 0.865 nan 8.270 nan 0.000 0.449 24 G N 1.286 109.836 108.800 -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 -2.007 172.503 174.900 -0.651 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 -2.554 117.366 120.400 -0.800 0.000 2.692 25 D HA 0.584 5.224 4.640 0.000 0.000 0.290 25 D C 1.045 177.126 176.300 -0.365 0.000 1.281 25 D CA 0.476 54.122 54.000 -0.590 0.000 0.804 25 D CB 0.881 41.582 40.800 -0.165 0.000 1.331 25 D HN 1.039 nan 8.370 nan 0.000 0.432 26 S N -0.711 114.989 115.700 0.000 0.000 2.420 26 S HA -0.104 4.366 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 2.337 60.614 58.200 0.128 0.000 0.991 26 S CB -1.054 62.232 63.200 0.144 0.000 0.792 26 S HN 0.617 nan 8.310 nan 0.000 0.488 27 G N 1.362 110.177 108.800 0.025 0.000 2.484 27 G HA2 -0.135 3.825 3.960 0.000 0.000 0.215 27 G HA3 -0.135 3.825 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 0.523 45.642 45.100 0.033 0.000 0.791 27 G HN 0.528 nan 8.290 nan 0.000 0.550 28 R N 0.317 120.855 120.500 0.063 0.000 2.543 28 R HA 0.354 4.694 4.340 0.000 0.000 0.323 28 R C 0.714 177.168 176.300 0.258 0.000 1.002 28 R CA 0.502 56.700 56.100 0.162 0.000 1.106 28 R CB 0.722 31.116 30.300 0.156 0.000 1.280 28 R HN 0.577 nan 8.270 nan 0.000 0.549 29 G N 0.924 109.778 108.800 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 -1.438 173.439 174.900 -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 0.166 120.484 120.300 0.031 0.000 2.341 30 Y HA 0.665 5.215 4.550 0.000 0.000 0.337 30 Y C 0.639 176.542 175.900 0.006 0.000 1.014 30 Y CA -0.310 57.782 58.100 -0.014 0.000 1.111 30 Y CB 1.661 40.090 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 -1.634 174.315 175.900 0.083 0.000 0.987 31 Y CA -1.799 56.338 58.100 0.062 0.000 1.044 31 Y CB 1.080 39.609 38.460 0.116 0.000 1.245 31 Y HN 0.499 nan 8.280 nan 0.000 0.461 32 L N 2.788 124.124 121.223 0.187 0.000 2.322 32 L HA 0.492 4.832 4.340 0.000 0.000 0.279 32 L C -0.317 176.671 176.870 0.196 0.000 1.036 32 L CA -0.594 54.321 54.840 0.126 0.000 0.807 32 L CB 1.699 43.788 42.059 0.050 0.000 1.226 32 L HN 0.896 nan 8.230 nan 0.000 0.433 33 E N 5.689 125.994 120.200 0.175 0.000 2.146 33 E HA 0.502 4.852 4.350 0.000 0.000 0.282 33 E C -1.370 175.316 176.600 0.144 0.000 0.989 33 E CA -0.573 55.934 56.400 0.178 0.000 0.799 33 E CB 0.817 30.614 29.700 0.162 0.000 1.088 33 E HN 0.709 nan 8.360 nan 0.000 0.397 34 M N 3.110 122.796 119.600 0.143 0.000 2.572 34 M HA 0.456 4.936 4.480 0.000 0.000 0.299 34 M C -1.203 175.165 176.300 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 34.426 32.600 0.163 0.000 1.728 34 M HN 0.259 nan 8.290 nan 0.000 0.458 35 L N 3.185 124.459 121.223 0.085 0.000 2.282 35 L HA 0.654 4.994 4.340 0.000 0.000 0.288 35 L C -0.865 176.027 176.870 0.037 0.000 1.033 35 L CA -0.575 54.299 54.840 0.058 0.000 0.807 35 L CB 1.286 43.369 42.059 0.041 0.000 1.209 35 L HN 0.671 nan 8.230 nan 0.000 0.423 36 I N 2.128 122.710 120.570 0.020 0.000 2.509 36 I HA 0.693 4.863 4.170 0.000 0.000 0.293 36 I C 0.687 176.841 176.117 0.061 0.000 1.020 36 I CA -0.474 60.793 61.300 -0.054 0.000 1.088 36 I CB 1.863 39.650 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 -0.518 174.462 174.900 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 3.620 118.251 114.554 0.130 0.000 2.890 38 T HA 0.648 4.998 4.350 0.000 0.000 0.295 38 T C -1.933 172.804 174.700 0.062 0.000 0.993 38 T CA -0.202 61.944 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 -0.674 176.668 177.300 0.071 0.000 1.239 40 P CA 0.198 63.335 63.100 0.061 0.000 0.789 40 P CB 0.379 32.103 31.700 0.039 0.000 0.933 41 Q N 1.624 121.486 119.800 0.104 0.000 2.333 41 Q HA 0.285 4.625 4.340 0.000 0.000 0.268 41 Q C -0.364 175.687 176.000 0.085 0.000 1.007 41 Q CA -0.859 55.008 55.803 0.107 0.000 0.810 41 Q CB 2.213 31.081 28.738 0.217 0.000 1.264 41 Q HN 0.274 nan 8.270 nan 0.000 0.452 42 K N 4.087 124.522 120.400 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 -0.636 176.315 176.870 0.136 0.000 1.014 43 L CA -1.256 53.645 54.840 0.102 0.000 0.820 43 L CB 2.200 44.318 42.059 0.099 0.000 1.352 43 L HN 0.546 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 -0.816 175.329 176.000 0.243 0.000 1.032 44 Q CA -0.591 55.324 55.803 0.187 0.000 0.798 44 Q CB 2.085 30.844 28.738 0.036 0.000 1.210 44 Q HN 0.316 nan 8.270 nan 0.000 0.491 45 I N 2.937 123.654 120.570 0.244 0.000 2.365 45 I HA 0.199 4.369 4.170 0.000 0.000 0.291 45 I C 0.319 176.498 176.117 0.104 0.000 1.004 45 I CA -1.142 60.270 61.300 0.187 0.000 1.311 45 I CB 0.686 38.775 38.000 0.148 0.000 1.401 45 I HN 0.417 nan 8.210 nan 0.000 0.491 46 L N 8.047 129.203 121.223 -0.113 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 0.035 54.646 54.840 -0.380 0.000 0.831 46 L CB 0.922 42.278 42.059 -1.171 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 0.181 4.301 4.120 0.000 0.000 0.267 47 V C -0.261 175.741 176.094 -0.152 0.000 1.042 47 V CA -0.150 62.061 62.300 -0.148 0.000 1.000 47 V CB 0.721 32.485 31.823 -0.099 0.000 1.015 47 V HN 0.840 nan 8.190 nan 0.000 0.478 48 D N 3.272 123.576 120.400 -0.159 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 -0.191 53.742 54.000 -0.111 0.000 0.877 48 D CB 1.702 42.441 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 0.135 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 0.256 62.347 62.100 -0.015 0.000 1.064 49 T CB 0.138 68.897 68.868 -0.182 0.000 0.949 49 T HN 0.309 nan 8.240 nan 0.000 0.526 50 G N 0.787 109.658 108.800 0.119 0.000 3.284 50 G HA2 0.457 4.418 3.960 0.000 0.000 0.236 50 G HA3 0.457 4.418 3.960 0.000 0.000 0.236 50 G C 0.240 175.289 174.900 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 -1.908 113.898 115.700 0.178 0.000 2.661 51 S HA 0.588 5.058 4.470 0.000 0.000 0.268 51 S C -0.419 174.254 174.600 0.123 0.000 1.162 51 S CA -0.335 57.982 58.200 0.194 0.000 0.817 51 S CB 1.487 64.920 63.200 0.389 0.000 1.141 51 S HN 0.018 nan 8.310 nan 0.000 0.477 52 S N 0.751 116.530 115.700 0.131 0.000 2.835 52 S HA 0.466 4.936 4.470 0.000 0.000 0.248 52 S C -0.860 173.851 174.600 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 62.601 63.200 0.074 0.000 0.978 52 S HN 0.621 nan 8.310 nan 0.000 0.510 53 N N 0.977 119.838 118.700 0.269 0.000 2.240 53 N HA 0.515 5.255 4.740 0.000 0.000 0.302 53 N C -1.601 174.145 175.510 0.394 0.000 1.106 53 N CA -0.517 52.744 53.050 0.352 0.000 0.778 53 N CB 1.530 40.296 38.487 0.465 0.000 1.431 53 N HN 0.329 nan 8.380 nan 0.000 0.479 54 F N 1.653 121.702 119.950 0.164 0.000 2.404 54 F HA 0.743 5.270 4.527 0.000 0.000 0.354 54 F C -0.522 175.278 175.800 0.001 0.000 1.122 54 F CA -0.590 57.458 58.000 0.080 0.000 1.080 54 F CB 0.521 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 -0.192 0.000 2.520 55 A HA 0.693 5.014 4.320 0.000 0.000 0.298 55 A C -1.555 175.773 177.584 -0.426 0.000 1.051 55 A CA -0.493 51.219 52.037 -0.541 0.000 0.690 55 A CB 1.614 19.939 19.000 -1.125 0.000 1.281 55 A HN 0.973 nan 8.150 nan 0.000 0.402 56 V N -1.024 118.676 119.914 -0.357 0.000 3.102 56 V HA 0.956 5.076 4.120 0.000 0.000 0.312 56 V C 0.337 176.466 176.094 0.058 0.000 1.135 56 V CA -0.543 61.704 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 1.348 124.301 122.820 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 1.044 109.919 108.800 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 0.510 175.302 174.900 -0.180 0.000 1.116 58 G CA 0.921 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 -2.919 111.408 114.554 -0.379 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 -1.625 60.036 62.100 -0.730 0.000 1.007 59 T CB 2.383 71.106 68.868 -0.242 0.000 1.289 59 T HN -0.182 nan 8.240 nan 0.000 0.508 60 P HA 0.542 nan 4.420 nan 0.000 0.272 60 P C -1.087 176.190 177.300 -0.038 0.000 1.230 60 P CA 0.106 63.135 63.100 -0.119 0.000 0.788 60 P CB 0.227 31.905 31.700 -0.038 0.000 0.949 61 H N -0.921 118.043 119.070 -0.177 0.000 3.079 61 H HA 0.240 4.796 4.556 0.000 0.000 0.356 61 H C 0.945 176.116 175.328 -0.262 0.000 1.221 61 H CA -0.292 55.633 56.048 -0.205 0.000 1.185 61 H CB 0.916 30.520 29.762 -0.264 0.000 1.882 61 H HN 0.152 nan 8.280 nan 0.000 0.543 62 S N 1.710 116.811 115.700 -0.999 0.000 2.434 62 S HA -0.294 4.176 4.470 0.000 0.000 0.250 62 S C 0.746 174.798 174.600 -0.913 0.000 1.102 62 S CA 2.363 59.991 58.200 -0.953 0.000 1.104 62 S CB -0.339 62.145 63.200 -1.194 0.000 0.957 62 S HN 0.632 nan 8.310 nan 0.000 0.456 63 Y N 0.399 120.618 120.300 -0.135 0.000 2.612 63 Y HA 0.477 5.027 4.550 0.000 0.000 0.250 63 Y C 0.419 176.198 175.900 -0.201 0.000 1.175 63 Y CA -0.786 57.234 58.100 -0.134 0.000 1.205 63 Y CB 0.164 38.567 38.460 -0.095 0.000 1.201 63 Y HN 0.257 nan 8.280 nan 0.000 0.532 64 I N -2.182 118.293 120.570 -0.159 0.000 2.693 64 I HA 0.466 4.636 4.170 0.000 0.000 0.303 64 I C 0.089 176.139 176.117 -0.113 0.000 1.025 64 I CA -0.814 60.374 61.300 -0.187 0.000 1.086 64 I CB 2.203 40.011 38.000 -0.320 0.000 1.268 64 I HN -0.030 nan 8.210 nan 0.000 0.440 65 D N 2.022 122.372 120.400 -0.083 0.000 2.440 65 D HA 0.163 4.803 4.640 0.000 0.000 0.216 65 D C 0.227 176.504 176.300 -0.039 0.000 1.150 65 D CA 0.017 53.985 54.000 -0.053 0.000 0.832 65 D CB 0.715 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 -0.609 113.929 114.554 -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 1.066 69.885 68.868 -0.081 0.000 1.485 66 T HN 0.193 nan 8.240 nan 0.000 0.494 67 Y N 0.421 120.719 120.300 -0.004 0.000 2.689 67 Y HA 0.806 5.356 4.550 0.000 0.000 0.333 67 Y C -1.829 174.127 175.900 0.092 0.000 1.208 67 Y CA -1.956 56.162 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 3.171 123.211 119.950 0.150 0.000 2.424 68 F HA 0.372 4.899 4.527 0.000 0.000 0.356 68 F C -0.191 175.687 175.800 0.129 0.000 1.110 68 F CA -0.747 57.275 58.000 0.037 0.000 1.161 68 F CB 0.607 39.608 39.000 0.001 0.000 1.115 68 F HN 0.638 nan 8.300 nan 0.000 0.507 69 D N 4.886 124.935 120.400 -0.586 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 53.823 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 0.793 114.739 114.554 -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 62.391 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 0.891 120.854 120.200 -0.395 0.000 2.401 71 E HA -0.038 4.312 4.350 0.000 0.000 0.199 71 E C 1.956 178.454 176.600 -0.170 0.000 1.023 71 E CA 0.458 56.722 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 -0.067 120.305 120.500 -0.213 0.000 2.393 72 R HA 0.125 4.465 4.340 0.000 0.000 0.244 72 R C 0.378 176.633 176.300 -0.075 0.000 0.920 72 R CA -0.042 55.979 56.100 -0.131 0.000 1.076 72 R CB 0.737 30.956 30.300 -0.134 0.000 1.119 72 R HN -0.171 nan 8.270 nan 0.000 0.524 73 S N 0.617 116.279 115.700 -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 0.297 nan 8.310 nan 0.000 0.464 74 S N 2.936 118.679 115.700 0.072 0.000 2.507 74 S HA -0.087 4.383 4.470 0.000 0.000 0.235 74 S C 1.410 176.060 174.600 0.083 0.000 0.988 74 S CA 1.100 59.338 58.200 0.064 0.000 0.944 74 S CB -0.703 62.520 63.200 0.039 0.000 0.762 74 S HN 0.852 nan 8.310 nan 0.000 0.526 75 T N -2.682 111.941 114.554 0.115 0.000 3.069 75 T HA 0.237 4.588 4.350 0.000 0.000 0.252 75 T C 0.112 174.896 174.700 0.140 0.000 1.053 75 T CA -0.583 61.579 62.100 0.103 0.000 0.964 75 T CB -0.602 68.318 68.868 0.086 0.000 1.005 75 T HN 0.429 nan 8.240 nan 0.000 0.532 76 Y N 3.256 123.602 120.300 0.076 0.000 2.335 76 Y HA 0.514 5.064 4.550 0.000 0.000 0.331 76 Y C -0.162 175.764 175.900 0.043 0.000 1.094 76 Y CA -1.107 57.048 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 -0.060 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 -0.821 175.027 176.300 -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 31.843 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 0.778 175.272 174.600 -0.177 0.000 1.299 78 S CA -0.346 57.719 58.200 -0.225 0.000 1.048 78 S CB 0.705 63.908 63.200 0.006 0.000 0.938 78 S HN 0.549 nan 8.310 nan 0.000 0.496 79 K N 2.765 123.041 120.400 -0.208 0.000 2.426 79 K HA 0.213 4.534 4.320 0.000 0.000 0.193 79 K C 1.311 177.824 176.600 -0.146 0.000 1.028 79 K CA 0.643 56.803 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 0.817 109.562 108.800 -0.091 0.000 2.175 80 G HA2 -0.254 3.707 3.960 0.000 0.000 0.244 80 G HA3 -0.254 3.707 3.960 0.000 0.000 0.244 80 G C -0.067 174.955 174.900 0.205 0.000 0.982 80 G CA 0.436 45.580 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 -2.046 56.044 58.000 0.150 0.000 0.951 81 F CB 0.687 39.748 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 0.429 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 -0.330 53.858 54.000 0.312 0.000 0.970 82 D CB 2.341 43.275 40.800 0.222 0.000 1.141 82 D HN 0.589 nan 8.370 nan 0.000 0.485 83 V N -0.224 119.847 119.914 0.262 0.000 2.971 83 V HA 0.636 4.756 4.120 0.000 0.000 0.309 83 V C -1.278 174.830 176.094 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 4.356 118.812 114.554 -0.164 0.000 2.928 84 T HA 0.689 5.039 4.350 0.000 0.000 0.296 84 T C -1.603 172.715 174.700 -0.635 0.000 1.000 84 T CA -0.292 61.557 62.100 -0.419 0.000 0.989 84 T CB 1.240 69.936 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 32.843 31.823 -1.449 0.000 0.991 85 V HN 0.819 nan 8.190 nan 0.000 0.434 86 K N 4.166 124.137 120.400 -0.715 0.000 2.394 86 K HA 0.509 4.830 4.320 0.000 0.000 0.260 86 K C -1.308 175.053 176.600 -0.399 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 -0.344 57.755 58.100 -0.001 0.000 1.616 87 Y CB 0.219 38.721 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 -0.186 4.165 4.350 0.000 0.000 0.268 88 T C 0.067 174.815 174.700 0.081 0.000 1.036 88 T CA 1.603 63.754 62.100 0.084 0.000 1.147 88 T CB -0.248 68.646 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 0.496 4.837 4.340 0.000 0.000 0.254 89 Q C -0.555 175.546 176.000 0.167 0.000 0.936 89 Q CA -0.401 55.466 55.803 0.106 0.000 0.834 89 Q CB 2.352 31.129 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 -0.339 44.910 45.100 0.249 0.000 0.874 90 G HN 1.045 nan 8.290 nan 0.000 0.631 91 S N -0.407 115.396 115.700 0.172 0.000 2.595 91 S HA 0.869 5.339 4.470 0.000 0.000 0.270 91 S C -0.929 173.560 174.600 -0.185 0.000 1.145 91 S CA -0.028 58.091 58.200 -0.135 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 -0.333 120.768 121.300 -0.331 0.000 3.042 92 W HA 0.747 5.407 4.660 0.000 0.000 0.342 92 W C -1.896 174.381 176.519 -0.405 0.000 1.240 92 W CA -1.023 56.064 57.345 -0.430 0.000 1.166 92 W CB 0.908 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 1.178 115.695 114.554 -0.061 0.000 2.921 93 T HA 0.696 5.046 4.350 0.000 0.000 0.297 93 T C -0.273 174.101 174.700 -0.543 0.000 1.013 93 T CA -0.397 61.520 62.100 -0.304 0.000 0.990 93 T CB 1.976 70.490 68.868 -0.590 0.000 1.023 93 T HN 0.895 nan 8.240 nan 0.000 0.447 94 G N 1.049 109.766 108.800 -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 0.159 120.347 119.950 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 1.688 40.795 39.000 0.179 0.000 1.146 95 F HN 0.077 nan 8.300 nan 0.000 0.522 96 V N 2.652 122.643 119.914 0.129 0.000 2.498 96 V HA 0.773 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 0.808 32.365 31.823 -0.442 0.000 0.988 96 V HN 0.992 nan 8.190 nan 0.000 0.473 97 G N 3.958 112.765 108.800 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 -0.516 119.514 120.200 -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 2.982 32.617 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 0.206 4.847 4.640 0.000 0.000 0.265 99 D C -1.439 174.908 176.300 0.078 0.000 1.223 99 D CA -0.507 53.558 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 0.992 122.247 121.223 0.053 0.000 2.371 100 L HA 0.557 4.897 4.340 0.000 0.000 0.272 100 L C 0.035 176.883 176.870 -0.037 0.000 1.124 100 L CA -0.571 54.263 54.840 -0.011 0.000 0.816 100 L CB 1.267 43.310 42.059 -0.026 0.000 1.129 100 L HN 0.096 nan 8.230 nan 0.000 0.448 101 V N 1.456 121.279 119.914 -0.151 0.000 2.823 101 V HA 0.552 4.672 4.120 0.000 0.000 0.312 101 V C -0.258 175.554 176.094 -0.470 0.000 1.072 101 V CA -0.497 61.714 62.300 -0.149 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 4.464 118.874 114.554 -0.240 0.000 2.928 102 T HA 0.571 4.921 4.350 0.000 0.000 0.296 102 T C -0.521 174.172 174.700 -0.012 0.000 1.000 102 T CA -0.165 61.795 62.100 -0.233 0.000 0.989 102 T CB 1.063 69.863 68.868 -0.113 0.000 1.005 102 T HN 0.420 nan 8.240 nan 0.000 0.442 103 I N 5.733 126.368 120.570 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 1.495 39.752 38.000 0.428 0.000 1.415 103 I HN 0.377 nan 8.210 nan 0.000 0.480 104 P HA -0.235 nan 4.420 nan 0.000 0.214 104 P C -0.207 177.158 177.300 0.109 0.000 1.099 104 P CA 1.668 64.831 63.100 0.106 0.000 0.976 104 P CB 0.077 31.832 31.700 0.091 0.000 0.774 105 K N -0.002 120.463 120.400 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 0.096 32.636 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 -0.991 173.705 174.900 -0.339 0.000 2.278 106 G CA -0.764 44.240 45.100 -0.161 0.000 1.441 106 G HN 0.370 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 0.239 176.104 175.800 0.108 0.000 1.130 107 F CA -1.066 57.038 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 0.313 119.138 118.700 0.208 0.000 2.251 108 N HA 0.105 4.845 4.740 0.000 0.000 0.217 108 N C -0.477 175.076 175.510 0.073 0.000 1.124 108 N CA 0.041 53.157 53.050 0.110 0.000 0.843 108 N CB 0.617 39.145 38.487 0.069 0.000 1.024 108 N HN 0.394 nan 8.380 nan 0.000 0.501 109 T N 0.722 115.343 114.554 0.112 0.000 3.053 109 T HA 0.196 4.546 4.350 0.000 0.000 0.363 109 T C -0.043 174.633 174.700 -0.039 0.000 1.239 109 T CA -0.758 61.380 62.100 0.064 0.000 1.071 109 T CB 0.288 69.231 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 0.240 4.710 4.470 0.000 0.000 0.298 110 S C -0.138 174.235 174.600 -0.378 0.000 1.280 110 S CA -0.232 57.690 58.200 -0.464 0.000 1.052 110 S CB -0.400 62.648 63.200 -0.254 0.000 0.799 110 S HN 0.528 nan 8.310 nan 0.000 0.501 111 F N -0.328 119.576 119.950 -0.076 0.000 2.603 111 F HA 0.706 5.233 4.527 0.000 0.000 0.317 111 F C -0.745 174.980 175.800 -0.125 0.000 1.066 111 F CA -1.984 55.941 58.000 -0.125 0.000 0.941 111 F CB 0.680 39.549 39.000 -0.219 0.000 1.291 111 F HN 0.477 nan 8.300 nan 0.000 0.472 112 L N 3.644 124.931 121.223 0.108 0.000 2.313 112 L HA 0.694 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 54.514 54.840 0.045 0.000 0.831 112 L CB 0.735 42.805 42.059 0.018 0.000 1.159 112 L HN 0.705 nan 8.230 nan 0.000 0.442 113 V N 2.315 122.258 119.914 0.049 0.000 3.040 113 V HA 0.668 4.788 4.120 0.000 0.000 0.312 113 V C -0.190 175.991 176.094 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 33.718 31.823 0.011 0.000 1.042 113 V HN 0.703 nan 8.190 nan 0.000 0.433 114 N N 1.743 120.542 118.700 0.165 0.000 2.444 114 N HA 0.585 5.325 4.740 0.000 0.000 0.255 114 N C -0.737 174.941 175.510 0.279 0.000 1.255 114 N CA 0.038 53.192 53.050 0.174 0.000 0.933 114 N CB 1.776 40.366 38.487 0.171 0.000 1.143 114 N HN 0.969 nan 8.380 nan 0.000 0.453 115 I N -0.218 120.462 120.570 0.184 0.000 2.685 115 I HA 0.359 4.529 4.170 0.000 0.000 0.289 115 I C -1.363 174.796 176.117 0.070 0.000 1.292 115 I CA -0.637 60.718 61.300 0.093 0.000 1.050 115 I CB 1.461 39.462 38.000 0.002 0.000 1.301 115 I HN 0.500 nan 8.210 nan 0.000 0.425 116 A N 4.655 127.458 122.820 -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 51.750 52.037 -0.020 0.000 0.853 116 A CB 0.589 19.533 19.000 -0.094 0.000 1.146 116 A HN 0.638 nan 8.150 nan 0.000 0.518 117 T N 4.042 118.656 114.554 0.100 0.000 2.801 117 T HA 0.368 4.719 4.350 0.000 0.000 0.306 117 T C 0.151 174.943 174.700 0.153 0.000 1.020 117 T CA 0.014 62.213 62.100 0.165 0.000 0.948 117 T CB -0.050 69.023 68.868 0.341 0.000 0.962 117 T HN 0.475 nan 8.240 nan 0.000 0.465 118 I N 4.797 125.338 120.570 -0.048 0.000 2.581 118 I HA 0.058 4.229 4.170 0.000 0.000 0.285 118 I C 0.871 177.026 176.117 0.062 0.000 1.129 118 I CA 0.099 61.340 61.300 -0.098 0.000 1.397 118 I CB 0.125 38.023 38.000 -0.171 0.000 1.399 118 I HN 0.725 nan 8.210 nan 0.000 0.537 119 F N 3.666 123.627 119.950 0.018 0.000 2.682 119 F HA 0.477 5.004 4.527 0.000 0.000 0.308 119 F C 0.368 176.182 175.800 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 0.039 0.000 1.052 119 F HN 0.342 nan 8.300 nan 0.000 0.573 120 E N 1.671 121.673 120.200 -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 56.198 56.400 -0.177 0.000 0.793 120 E CB 2.083 31.631 29.700 -0.253 0.000 1.259 120 E HN 0.271 nan 8.360 nan 0.000 0.406 121 S N 2.953 118.649 115.700 -0.007 0.000 2.618 121 S HA 0.791 5.261 4.470 0.000 0.000 0.277 121 S C -0.895 173.764 174.600 0.098 0.000 1.138 121 S CA -0.830 57.388 58.200 0.029 0.000 0.844 121 S CB 2.495 65.714 63.200 0.032 0.000 1.127 121 S HN 0.367 nan 8.310 nan 0.000 0.474 122 E N 0.648 120.924 120.200 0.127 0.000 2.287 122 E HA 0.477 4.827 4.350 0.000 0.000 0.274 122 E C -0.888 175.828 176.600 0.192 0.000 0.896 122 E CA -0.235 56.255 56.400 0.151 0.000 0.788 122 E CB 0.845 30.598 29.700 0.088 0.000 1.244 122 E HN 0.666 nan 8.360 nan 0.000 0.408 123 N N 2.779 121.609 118.700 0.216 0.000 2.708 123 N HA -0.261 4.479 4.740 0.000 0.000 0.249 123 N C -0.120 175.526 175.510 0.226 0.000 1.097 123 N CA 0.857 54.025 53.050 0.196 0.000 0.710 123 N CB -0.844 37.728 38.487 0.141 0.000 1.032 123 N HN 0.453 nan 8.380 nan 0.000 0.551 124 F N -0.066 119.921 119.950 0.061 0.000 2.390 124 F HA 0.302 4.830 4.527 0.000 0.000 0.281 124 F C 0.550 176.303 175.800 -0.079 0.000 1.016 124 F CA 0.366 58.337 58.000 -0.048 0.000 1.286 124 F CB 0.088 38.959 39.000 -0.215 0.000 1.134 124 F HN -0.056 nan 8.300 nan 0.000 0.597 125 F N 2.851 122.894 119.950 0.155 0.000 2.424 125 F HA 0.392 4.919 4.527 0.000 0.000 0.356 125 F C -0.120 175.685 175.800 0.008 0.000 1.110 125 F CA -0.493 57.473 58.000 -0.057 0.000 1.161 125 F CB 0.438 39.516 39.000 0.130 0.000 1.115 125 F HN -0.217 nan 8.300 nan 0.000 0.507 126 L N 4.413 125.573 121.223 -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 1.043 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 0.491 177.557 177.300 -0.390 0.000 1.216 127 P CA 0.501 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 2.484 111.158 108.800 -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 -2.217 118.174 120.570 -0.298 0.000 2.779 129 I HA 0.553 4.723 4.170 0.000 0.000 0.285 129 I C 1.088 176.937 176.117 -0.447 0.000 1.134 129 I CA -0.261 60.755 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 4.139 124.279 120.400 -0.433 0.000 2.358 130 K HA 0.180 4.500 4.320 0.000 0.000 0.200 130 K C -0.278 176.005 176.600 -0.529 0.000 1.030 130 K CA -0.132 55.907 56.287 -0.413 0.000 1.097 130 K CB 0.255 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 1.249 122.280 121.300 -0.449 0.000 2.390 131 W HA 0.302 4.963 4.660 0.000 0.000 0.362 131 W C -0.167 176.328 176.519 -0.039 0.000 1.206 131 W CA -0.676 56.486 57.345 -0.305 0.000 1.355 131 W CB -0.088 29.256 29.460 -0.194 0.000 1.278 131 W HN -0.043 nan 8.180 nan 0.000 0.653 132 N N -0.481 118.489 118.700 0.449 0.000 2.286 132 N HA 0.397 5.137 4.740 0.000 0.000 0.245 132 N C -0.469 175.402 175.510 0.600 0.000 1.363 132 N CA -0.281 53.029 53.050 0.432 0.000 0.822 132 N CB 0.860 39.418 38.487 0.118 0.000 1.345 132 N HN 0.746 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 0.599 4.559 3.960 0.000 0.000 0.291 133 G HA3 0.599 4.559 3.960 0.000 0.000 0.291 133 G C -2.048 173.002 174.900 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 0.414 121.086 120.570 0.170 0.000 2.545 134 I HA 0.688 4.858 4.170 0.000 0.000 0.292 134 I C -1.497 174.711 176.117 0.152 0.000 1.040 134 I CA -1.318 60.019 61.300 0.062 0.000 1.068 134 I CB 2.007 40.088 38.000 0.134 0.000 1.251 134 I HN 0.469 nan 8.210 nan 0.000 0.424 135 L N 8.084 129.310 121.223 0.006 0.000 2.295 135 L HA 0.661 5.001 4.340 0.000 0.000 0.281 135 L C -0.079 176.725 176.870 -0.110 0.000 1.018 135 L CA -0.032 54.742 54.840 -0.108 0.000 0.841 135 L CB 0.967 42.785 42.059 -0.403 0.000 1.218 135 L HN 0.625 nan 8.230 nan 0.000 0.424 136 G N 5.512 114.319 108.800 0.012 0.000 2.349 136 G HA2 0.404 4.364 3.960 0.000 0.000 0.281 136 G HA3 0.404 4.364 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 2.152 123.286 121.223 -0.148 0.000 2.818 137 L HA 0.283 4.623 4.340 0.000 0.000 0.243 137 L C 1.611 178.430 176.870 -0.085 0.000 1.185 137 L CA -0.305 54.370 54.840 -0.276 0.000 0.988 137 L CB -0.130 41.515 42.059 -0.689 0.000 1.292 137 L HN 0.595 nan 8.230 nan 0.000 0.519 138 A N -0.774 122.009 122.820 -0.062 0.000 2.336 138 A HA 0.426 4.746 4.320 0.000 0.000 0.278 138 A C -0.538 176.870 177.584 -0.292 0.000 1.371 138 A CA -0.126 51.773 52.037 -0.229 0.000 0.842 138 A CB 0.061 18.987 19.000 -0.123 0.000 1.363 138 A HN 0.130 nan 8.150 nan 0.000 0.517 139 Y N -1.631 118.593 120.300 -0.126 0.000 2.298 139 Y HA 0.379 4.929 4.550 0.000 0.000 0.329 139 Y C 1.707 177.610 175.900 0.004 0.000 1.293 139 Y CA 0.357 58.438 58.100 -0.030 0.000 1.388 139 Y CB 0.893 39.331 38.460 -0.037 0.000 1.309 139 Y HN 0.671 nan 8.280 nan 0.000 0.544 140 A N 0.570 123.527 122.820 0.228 0.000 1.908 140 A HA -0.216 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 2.388 54.507 52.037 0.137 0.000 0.627 140 A CB -1.465 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 0.552 115.168 114.554 0.103 0.000 2.685 141 T HA -0.218 4.133 4.350 0.000 0.000 0.268 141 T C 1.683 176.408 174.700 0.041 0.000 1.034 141 T CA 1.670 63.806 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 0.594 121.832 121.223 0.025 0.000 2.376 142 L HA 0.164 4.505 4.340 0.000 0.000 0.219 142 L C 1.572 178.434 176.870 -0.013 0.000 1.133 142 L CA -0.348 54.463 54.840 -0.049 0.000 0.816 142 L CB -0.608 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 0.346 123.186 122.820 0.032 0.000 2.511 143 A HA 0.247 4.567 4.320 0.000 0.000 0.242 143 A C -0.002 177.603 177.584 0.035 0.000 1.069 143 A CA 0.148 52.219 52.037 0.058 0.000 0.763 143 A CB 0.224 19.279 19.000 0.092 0.000 1.001 143 A HN 0.027 nan 8.150 nan 0.000 0.498 144 K N 2.436 122.858 120.400 0.036 0.000 2.203 144 K HA 0.489 4.810 4.320 0.000 0.000 0.251 144 K C -1.838 174.816 176.600 0.090 0.000 0.944 144 K CA -2.218 54.074 56.287 0.008 0.000 0.829 144 K CB 1.691 34.141 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 0.774 63.875 63.100 0.000 0.000 0.803 145 P CB 0.423 32.090 31.700 -0.054 0.000 0.782 146 S N -2.261 113.445 115.700 0.011 0.000 2.611 146 S HA 0.247 4.717 4.470 0.000 0.000 0.268 146 S C 0.636 175.255 174.600 0.031 0.000 1.156 146 S CA -0.031 58.171 58.200 0.004 0.000 0.817 146 S CB 0.671 63.858 63.200 -0.021 0.000 1.122 146 S HN 0.025 nan 8.310 nan 0.000 0.466 147 S N 0.265 115.980 115.700 0.025 0.000 2.571 147 S HA -0.072 4.398 4.470 0.000 0.000 0.245 147 S C 1.322 175.949 174.600 0.046 0.000 0.976 147 S CA 1.021 59.245 58.200 0.039 0.000 0.954 147 S CB -1.102 62.115 63.200 0.028 0.000 0.756 147 S HN 1.388 nan 8.310 nan 0.000 0.535 148 S N -0.121 115.605 115.700 0.044 0.000 2.524 148 S HA 0.308 4.778 4.470 0.000 0.000 0.215 148 S C 0.310 174.959 174.600 0.082 0.000 0.986 148 S CA -0.557 57.673 58.200 0.050 0.000 0.911 148 S CB -0.348 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 -0.226 54.704 54.840 0.150 0.000 1.045 149 L CB -0.214 41.968 42.059 0.204 0.000 1.351 149 L HN 0.251 nan 8.230 nan 0.000 0.419 150 E N 2.143 122.402 120.200 0.097 0.000 3.056 150 E HA -0.126 4.224 4.350 0.000 0.000 0.264 150 E C -0.255 176.401 176.600 0.092 0.000 0.899 150 E CA 0.390 56.834 56.400 0.075 0.000 0.966 150 E CB 0.455 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 4.516 119.126 114.554 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 62.063 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 2.683 122.625 119.950 -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 -0.139 0.000 1.121 152 F CA 1.677 59.608 58.000 -0.115 0.000 1.199 152 F CB -0.374 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 1.629 121.596 119.950 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 2.182 60.107 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 2.438 178.575 176.300 -0.273 0.000 1.001 154 D CA 1.750 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 0.505 116.020 115.700 -0.309 0.000 2.338 155 S HA -0.132 4.339 4.470 0.000 0.000 0.218 155 S C 1.914 176.177 174.600 -0.561 0.000 1.032 155 S CA 0.327 58.307 58.200 -0.367 0.000 0.999 155 S CB -0.413 62.563 63.200 -0.373 0.000 0.905 155 S HN 0.155 nan 8.310 nan 0.000 0.439 156 L N 2.245 122.958 121.223 -0.849 0.000 2.051 156 L HA -0.132 4.208 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 1.631 55.793 54.840 -1.129 0.000 0.758 156 L CB -0.893 40.461 42.059 -1.175 0.000 0.890 156 L HN 0.142 nan 8.230 nan 0.000 0.433 157 V N -0.826 118.622 119.914 -0.777 0.000 2.233 157 V HA -0.352 3.768 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 64.348 62.300 -0.562 0.000 1.010 157 V CB -0.969 30.534 31.823 -0.534 0.000 0.637 157 V HN 0.579 nan 8.190 nan 0.000 0.444 158 T N -0.602 113.780 114.554 -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 1.919 63.911 62.100 -0.179 0.000 1.153 158 T CB -0.295 68.487 68.868 -0.144 0.000 0.863 158 T HN 0.541 nan 8.240 nan 0.000 0.428 159 Q N 0.423 120.099 119.800 -0.206 0.000 2.119 159 Q HA 0.109 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 0.517 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 0.231 52.237 52.037 -0.051 0.000 0.804 160 A CB -0.214 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 -0.480 118.180 118.700 -0.066 0.000 2.705 161 N HA -0.166 4.574 4.740 0.000 0.000 0.255 161 N C -0.114 175.392 175.510 -0.007 0.000 1.008 161 N CA 1.084 54.111 53.050 -0.038 0.000 0.742 161 N CB -1.551 36.929 38.487 -0.010 0.000 0.906 161 N HN 0.768 nan 8.380 nan 0.000 0.541 162 I N -3.422 117.135 120.570 -0.022 0.000 2.982 162 I HA 0.800 4.970 4.170 0.000 0.000 0.312 162 I C -1.994 174.135 176.117 0.020 0.000 1.041 162 I CA -2.545 58.777 61.300 0.035 0.000 1.053 162 I CB 1.376 39.443 38.000 0.112 0.000 1.248 162 I HN -0.165 nan 8.210 nan 0.000 0.471 163 P HA 0.103 nan 4.420 nan 0.000 0.271 163 P C -0.819 176.565 177.300 0.141 0.000 1.216 163 P CA -0.073 63.080 63.100 0.089 0.000 0.776 163 P CB 0.279 32.041 31.700 0.103 0.000 0.881 164 N N 2.575 121.361 118.700 0.144 0.000 3.193 164 N HA 0.149 4.889 4.740 0.000 0.000 0.312 164 N C -1.167 174.578 175.510 0.392 0.000 1.261 164 N CA 0.255 53.461 53.050 0.259 0.000 1.208 164 N CB -0.642 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 0.659 4.779 4.120 0.000 0.000 0.306 165 V C -1.018 175.342 176.094 0.444 0.000 1.209 165 V CA -0.970 61.529 62.300 0.332 0.000 1.023 165 V CB 1.773 33.695 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 0.846 5.373 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 -0.579 57.401 58.000 -0.034 0.000 0.996 166 F CB 1.341 40.157 39.000 -0.306 0.000 1.286 166 F HN 0.504 nan 8.300 nan 0.000 0.441 167 S N 4.312 120.062 115.700 0.083 0.000 2.599 167 S HA 0.851 5.321 4.470 0.000 0.000 0.294 167 S C -1.119 173.572 174.600 0.151 0.000 1.094 167 S CA -0.821 57.325 58.200 -0.089 0.000 0.931 167 S CB 2.299 65.285 63.200 -0.357 0.000 1.093 167 S HN 1.108 nan 8.310 nan 0.000 0.488 168 M N 1.678 121.349 119.600 0.119 0.000 2.501 168 M HA 0.466 4.946 4.480 0.000 0.000 0.293 168 M C -1.972 174.468 176.300 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 4.864 124.751 119.800 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 -0.437 55.407 55.803 0.069 0.000 0.777 169 Q CB 1.963 30.702 28.738 0.003 0.000 1.273 169 Q HN 0.808 nan 8.270 nan 0.000 0.440 170 M N 2.566 122.034 119.600 -0.221 0.000 2.300 170 M HA 0.511 4.992 4.480 0.000 0.000 0.348 170 M C -0.938 175.281 176.300 -0.135 0.000 1.151 170 M CA -0.676 54.340 55.300 -0.473 0.000 1.046 170 M CB 1.469 33.541 32.600 -0.881 0.000 1.647 170 M HN 0.565 nan 8.290 nan 0.000 0.451 171 c N 2.180 120.800 118.600 0.034 0.000 2.369 171 c HA 0.979 5.549 4.570 0.000 0.000 0.322 171 c C 0.335 174.538 174.090 0.189 0.000 1.258 171 c CA -0.786 55.594 56.329 0.087 0.000 1.487 171 c CB 0.795 43.334 42.510 0.049 0.000 2.165 171 c HN 1.058 nan 8.230 nan 0.000 0.483 172 G N 1.544 110.425 108.800 0.135 0.000 2.433 172 G HA2 0.790 4.750 3.960 0.000 0.000 0.306 172 G HA3 0.790 4.750 3.960 0.000 0.000 0.306 172 G C -1.237 173.717 174.900 0.090 0.000 1.627 172 G CA 0.427 45.606 45.100 0.131 0.000 0.893 172 G HN 1.487 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 -1.698 173.207 174.900 0.010 0.000 1.292 185 G CA 0.299 45.415 45.100 0.026 0.000 0.811 185 G HN 1.105 nan 8.290 nan 0.000 0.482 186 S N -0.634 115.064 115.700 -0.003 0.000 2.575 186 S HA 0.540 5.010 4.470 0.000 0.000 0.278 186 S C -1.386 173.259 174.600 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 3.894 125.170 121.223 0.088 0.000 2.335 187 L HA 0.524 4.864 4.340 0.000 0.000 0.268 187 L C -1.119 175.851 176.870 0.166 0.000 1.037 187 L CA -0.463 54.447 54.840 0.116 0.000 0.895 187 L CB 0.595 42.691 42.059 0.061 0.000 1.266 187 L HN 0.517 nan 8.230 nan 0.000 0.439 188 V N 6.307 126.346 119.914 0.209 0.000 2.370 188 V HA 0.169 4.289 4.120 0.000 0.000 0.257 188 V C 0.470 176.734 176.094 0.284 0.000 1.064 188 V CA -0.199 62.233 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 5.225 126.651 121.223 0.339 0.000 2.295 189 L HA 0.598 4.938 4.340 0.000 0.000 0.288 189 L C 1.210 178.389 176.870 0.516 0.000 1.079 189 L CA 0.318 55.449 54.840 0.485 0.000 0.830 189 L CB 0.544 42.963 42.059 0.599 0.000 1.200 189 L HN 0.886 nan 8.230 nan 0.000 0.438 190 G N 1.991 111.094 108.800 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 0.139 175.184 174.900 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 -1.192 107.736 108.800 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 -1.572 173.404 174.900 0.126 0.000 1.274 191 G CA -0.357 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 0.565 121.210 120.570 0.125 0.000 2.418 192 I HA 0.376 4.547 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 40.182 38.000 0.096 0.000 1.264 192 I HN 0.446 nan 8.210 nan 0.000 0.438 193 E N 9.864 130.276 120.200 0.352 0.000 2.001 193 E HA 0.260 4.610 4.350 0.000 0.000 0.279 193 E C -1.827 174.934 176.600 0.267 0.000 1.045 193 E CA -2.561 53.975 56.400 0.227 0.000 0.833 193 E CB 0.896 30.672 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 1.027 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 -1.017 114.635 115.700 -0.079 0.000 2.561 195 S HA 0.030 4.500 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 0.136 58.263 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 0.546 121.669 121.223 -0.166 0.000 2.592 196 L HA 0.347 4.687 4.340 0.000 0.000 0.227 196 L C -0.001 176.749 176.870 -0.201 0.000 1.127 196 L CA -0.296 54.366 54.840 -0.297 0.000 0.884 196 L CB -0.183 41.468 42.059 -0.680 0.000 1.065 196 L HN 0.611 nan 8.230 nan 0.000 0.457 197 Y N -2.417 117.762 120.300 -0.201 0.000 2.519 197 Y HA 0.620 5.170 4.550 0.000 0.000 0.336 197 Y C -1.030 174.856 175.900 -0.024 0.000 1.089 197 Y CA -1.769 56.287 58.100 -0.074 0.000 1.025 197 Y CB 0.890 39.399 38.460 0.082 0.000 1.318 197 Y HN -0.238 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 -0.099 56.131 56.287 -0.094 0.000 0.837 198 K CB 1.752 34.215 32.500 -0.063 0.000 1.131 198 K HN 1.385 nan 8.250 nan 0.000 0.431 199 G N 1.819 110.640 108.800 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 -1.199 173.792 174.900 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 -0.244 120.211 120.400 0.092 0.000 2.329 200 D HA 0.495 5.135 4.640 0.000 0.000 0.246 200 D C 0.501 176.752 176.300 -0.083 0.000 1.111 200 D CA 0.343 54.314 54.000 -0.048 0.000 0.941 200 D CB 1.735 42.376 40.800 -0.264 0.000 1.169 200 D HN 0.743 nan 8.370 nan 0.000 0.441 201 I N 0.281 120.679 120.570 -0.286 0.000 2.382 201 I HA 0.324 4.494 4.170 0.000 0.000 0.286 201 I C -1.328 174.386 176.117 -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 0.203 nan 8.210 nan 0.000 0.448 202 W N 6.041 126.965 121.300 -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 -0.016 56.827 57.345 -0.837 0.000 1.218 202 W CB 0.692 29.177 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 0.065 0.000 1.079 203 Y CB 2.406 40.865 38.460 -0.001 0.000 1.226 203 Y HN 0.205 nan 8.280 nan 0.000 0.460 204 T N 5.018 119.889 114.554 0.528 0.000 2.876 204 T HA 0.449 4.799 4.350 0.000 0.000 0.289 204 T C -2.981 171.892 174.700 0.288 0.000 1.014 204 T CA -2.522 59.838 62.100 0.434 0.000 0.986 204 T CB 1.279 70.382 68.868 0.392 0.000 1.021 204 T HN 0.314 nan 8.240 nan 0.000 0.458 205 P HA 0.270 nan 4.420 nan 0.000 0.271 205 P C -0.482 176.922 177.300 0.173 0.000 1.216 205 P CA -0.269 62.928 63.100 0.161 0.000 0.776 205 P CB 0.642 32.416 31.700 0.122 0.000 0.881 206 I N 3.924 124.601 120.570 0.178 0.000 2.337 206 I HA 0.066 4.237 4.170 0.000 0.000 0.291 206 I C 1.769 177.981 176.117 0.158 0.000 1.046 206 I CA -0.432 61.001 61.300 0.222 0.000 1.324 206 I CB 0.607 38.783 38.000 0.292 0.000 1.409 206 I HN 0.262 nan 8.210 nan 0.000 0.494 207 K N 3.844 124.343 120.400 0.167 0.000 1.984 207 K HA -0.036 4.284 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 1.457 57.811 56.287 0.111 0.000 0.934 207 K CB 0.013 32.592 32.500 0.131 0.000 0.717 207 K HN 0.481 nan 8.250 nan 0.000 0.438 208 E N 0.656 120.916 120.200 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 -0.019 0.000 0.877 208 E CA -0.139 56.196 56.400 -0.109 0.000 0.758 208 E CB 1.437 30.893 29.700 -0.406 0.000 1.170 208 E HN -0.009 nan 8.360 nan 0.000 0.415 209 E N 5.148 125.178 120.200 -0.284 0.000 1.932 209 E HA 0.134 4.484 4.350 0.000 0.000 0.259 209 E C -0.391 176.014 176.600 -0.326 0.000 1.099 209 E CA -0.135 55.880 56.400 -0.642 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 1.308 122.521 121.300 -0.145 0.000 4.757 210 W HA 0.191 4.851 4.660 0.000 0.000 0.172 210 W C -0.260 176.218 176.519 -0.069 0.000 3.206 210 W CA -0.250 57.037 57.345 -0.096 0.000 1.735 210 W CB -0.510 28.820 29.460 -0.216 0.000 1.720 210 W HN 0.021 nan 8.180 nan 0.000 0.705 211 Y N 0.506 120.747 120.300 -0.098 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 -1.020 56.940 58.100 -0.234 0.000 1.384 211 Y CB 0.161 38.317 38.460 -0.507 0.000 1.367 211 Y HN -0.176 nan 8.280 nan 0.000 0.525 212 Y N 1.255 121.799 120.300 0.406 0.000 2.636 212 Y HA 0.137 4.687 4.550 0.000 0.000 0.341 212 Y C 0.323 176.422 175.900 0.332 0.000 1.169 212 Y CA -0.302 58.049 58.100 0.418 0.000 1.498 212 Y CB -0.016 38.687 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 0.523 0.000 1.207 213 Q HN 0.773 nan 8.270 nan 0.000 0.426 214 I N -0.193 120.514 120.570 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 2.255 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 3.770 124.019 120.200 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 4.719 125.293 120.570 0.006 0.000 2.440 216 I HA 0.085 4.255 4.170 0.000 0.000 0.294 216 I C 0.853 176.970 176.117 -0.001 0.000 0.995 216 I CA -0.534 60.732 61.300 -0.056 0.000 1.306 216 I CB 1.039 38.994 38.000 -0.075 0.000 1.407 216 I HN 0.715 nan 8.210 nan 0.000 0.501 217 L N 4.339 125.526 121.223 -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 0.101 120.412 120.400 -0.149 0.000 2.346 218 K HA 0.633 4.954 4.320 0.000 0.000 0.238 218 K C -1.565 174.818 176.600 -0.362 0.000 1.039 218 K CA -0.778 55.377 56.287 -0.221 0.000 0.861 218 K CB 2.739 35.005 32.500 -0.390 0.000 1.278 218 K HN -0.187 nan 8.250 nan 0.000 0.460 219 L N 1.612 122.613 121.223 -0.371 0.000 2.518 219 L HA 0.275 4.615 4.340 0.000 0.000 0.262 219 L C -1.186 175.600 176.870 -0.141 0.000 0.982 219 L CA -0.003 54.628 54.840 -0.348 0.000 0.873 219 L CB 1.566 43.271 42.059 -0.590 0.000 1.198 219 L HN 0.563 nan 8.230 nan 0.000 0.427 220 E N 3.947 124.110 120.200 -0.061 0.000 2.283 220 E HA 0.619 4.970 4.350 0.000 0.000 0.271 220 E C -0.952 175.616 176.600 -0.053 0.000 1.031 220 E CA -0.452 55.930 56.400 -0.030 0.000 0.868 220 E CB 1.685 31.410 29.700 0.042 0.000 1.094 220 E HN 0.442 nan 8.360 nan 0.000 0.401 221 I N 1.939 122.488 120.570 -0.035 0.000 2.531 221 I HA 0.246 4.416 4.170 0.000 0.000 0.283 221 I C 0.367 176.484 176.117 -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 39.754 38.000 -0.038 0.000 1.210 221 I HN 0.842 nan 8.210 nan 0.000 0.450 222 G N 4.043 112.855 108.800 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 0.552 45.667 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 1.909 121.701 119.800 -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 0.348 56.138 55.803 -0.021 0.000 0.933 224 Q CB 0.817 29.544 28.738 -0.018 0.000 1.195 224 Q HN 0.766 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 0.953 175.542 174.600 -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 63.708 63.200 -0.086 0.000 0.912 225 S HN 0.781 nan 8.310 nan 0.000 0.541 226 L N 0.642 121.875 121.223 0.016 0.000 2.313 226 L HA 0.052 4.393 4.340 0.000 0.000 0.214 226 L C 0.173 177.067 176.870 0.041 0.000 1.119 226 L CA 0.171 55.040 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 1.512 120.234 118.700 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 53.875 53.050 0.001 0.000 0.726 227 N CB -1.138 37.338 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 0.262 176.995 176.870 -0.228 0.000 0.983 228 L CA -1.036 53.714 54.840 -0.152 0.000 0.820 228 L CB 1.970 43.880 42.059 -0.248 0.000 1.361 228 L HN 0.036 nan 8.230 nan 0.000 0.410 229 D N 0.957 121.232 120.400 -0.209 0.000 2.479 229 D HA -0.055 4.586 4.640 0.000 0.000 0.257 229 D C 1.341 177.464 176.300 -0.296 0.000 1.230 229 D CA -0.000 53.890 54.000 -0.183 0.000 0.912 229 D CB 0.859 41.577 40.800 -0.138 0.000 1.130 229 D HN 0.669 nan 8.370 nan 0.000 0.515 230 c N 4.299 122.784 118.600 -0.191 0.000 2.397 230 c HA -0.140 4.430 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 0.314 56.568 56.329 -0.125 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 0.731 121.156 120.500 -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 1.256 57.313 56.100 -0.072 0.000 0.989 231 R CB -0.262 30.005 30.300 -0.054 0.000 0.876 231 R HN 0.660 nan 8.270 nan 0.000 0.457 232 E N 0.397 120.447 120.200 -0.251 0.000 2.070 232 E HA -0.218 4.132 4.350 0.000 0.000 0.197 232 E C 1.864 178.369 176.600 -0.159 0.000 1.004 232 E CA 1.576 57.817 56.400 -0.265 0.000 0.805 232 E CB -0.340 29.090 29.700 -0.450 0.000 0.744 232 E HN 0.548 nan 8.360 nan 0.000 0.451 233 Y N 0.534 120.829 120.300 -0.009 0.000 2.421 233 Y HA -0.023 4.528 4.550 0.000 0.000 0.292 233 Y C 1.772 177.672 175.900 -0.002 0.000 1.136 233 Y CA 0.381 58.475 58.100 -0.011 0.000 1.255 233 Y CB 0.024 38.469 38.460 -0.025 0.000 0.991 233 Y HN -0.007 nan 8.280 nan 0.000 0.552 234 N N 0.288 119.066 118.700 0.130 0.000 2.273 234 N HA 0.262 5.002 4.740 0.000 0.000 0.231 234 N C -0.479 175.076 175.510 0.075 0.000 1.134 234 N CA 0.121 53.232 53.050 0.101 0.000 0.856 234 N CB 0.685 39.229 38.487 0.095 0.000 1.068 234 N HN 0.062 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 0.533 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 54.224 54.000 0.092 0.000 0.837 236 D CB -0.055 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 -1.464 118.996 120.400 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 33.765 32.500 0.110 0.000 1.405 237 K HN -0.091 nan 8.250 nan 0.000 0.406 238 A N 3.715 126.579 122.820 0.074 0.000 2.340 238 A HA 0.665 4.985 4.320 0.000 0.000 0.297 238 A C -0.385 177.237 177.584 0.063 0.000 1.195 238 A CA -0.891 51.174 52.037 0.046 0.000 0.769 238 A CB 0.175 19.212 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 -0.834 175.351 176.117 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 0.302 4.422 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 0.817 32.769 31.823 0.215 0.000 0.988 240 V HN 0.820 nan 8.190 nan 0.000 0.466 241 D N 3.031 123.528 120.400 0.162 0.000 2.330 241 D HA 0.185 4.825 4.640 0.000 0.000 0.249 241 D C 1.106 177.456 176.300 0.084 0.000 1.306 241 D CA 0.095 54.171 54.000 0.126 0.000 0.956 241 D CB 1.594 42.431 40.800 0.061 0.000 1.261 241 D HN 0.433 nan 8.370 nan 0.000 0.544 242 S N 1.465 117.212 115.700 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 -0.296 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 0.123 174.994 174.900 -0.048 0.000 1.152 243 G CA 0.307 45.370 45.100 -0.061 0.000 0.789 243 G HN 0.501 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 3.688 118.258 114.554 0.025 0.000 2.635 245 T HA -0.001 4.349 4.350 0.000 0.000 0.267 245 T C 0.937 175.663 174.700 0.044 0.000 1.040 245 T CA 1.367 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 0.017 0.000 2.416 246 L HA 0.540 4.880 4.340 0.000 0.000 0.263 246 L C -0.326 176.539 176.870 -0.009 0.000 1.065 246 L CA -1.209 53.630 54.840 -0.000 0.000 0.798 246 L CB 0.597 42.642 42.059 -0.022 0.000 1.267 246 L HN 0.103 nan 8.230 nan 0.000 0.467 247 L N 1.834 123.039 121.223 -0.030 0.000 2.268 247 L HA 0.338 4.678 4.340 0.000 0.000 0.289 247 L C -0.337 176.514 176.870 -0.033 0.000 1.064 247 L CA 0.096 54.918 54.840 -0.030 0.000 0.824 247 L CB 0.036 42.063 42.059 -0.053 0.000 1.202 247 L HN 0.392 nan 8.230 nan 0.000 0.433 248 R N 6.145 126.628 120.500 -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 55.481 56.100 -0.036 0.000 0.880 248 R CB 1.074 31.339 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 -2.797 52.093 54.840 0.082 0.000 0.819 249 L CB 2.148 44.308 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 0.019 63.148 63.100 0.047 0.000 0.765 250 P CB 1.239 32.965 31.700 0.043 0.000 0.823 251 Q N 4.627 124.465 119.800 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 2.908 58.777 55.803 0.109 0.000 0.911 251 Q CB -0.923 27.852 28.738 0.062 0.000 1.045 251 Q HN 0.472 nan 8.270 nan 0.000 0.429 252 K N -1.191 119.261 120.400 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 -0.183 32.328 32.500 0.018 0.000 0.714 252 K HN 0.231 nan 8.250 nan 0.000 0.452 253 V N 0.624 120.604 119.914 0.110 0.000 2.323 253 V HA -0.200 3.920 4.120 0.000 0.000 0.244 253 V C 1.983 178.169 176.094 0.153 0.000 1.041 253 V CA 1.711 64.097 62.300 0.142 0.000 1.025 253 V CB -0.657 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 1.808 121.780 119.950 0.036 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 60.256 58.000 0.038 0.000 1.212 254 F CB -0.548 38.485 39.000 0.055 0.000 0.973 254 F HN 0.227 nan 8.300 nan 0.000 0.480 255 D N 0.495 120.937 120.400 0.071 0.000 2.103 255 D HA -0.239 4.402 4.640 0.000 0.000 0.190 255 D C 2.421 178.629 176.300 -0.152 0.000 0.997 255 D CA 1.779 55.731 54.000 -0.080 0.000 0.833 255 D CB -0.902 39.916 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 2.646 180.157 177.584 -0.121 0.000 1.191 256 A CA 1.973 53.969 52.037 -0.068 0.000 0.638 256 A CB -0.971 18.024 19.000 -0.008 0.000 0.823 256 A HN 0.168 nan 8.150 nan 0.000 0.451 257 V N -0.539 119.291 119.914 -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 2.039 64.234 62.300 -0.176 0.000 1.007 257 V CB -0.983 30.750 31.823 -0.150 0.000 0.638 257 V HN 0.386 nan 8.190 nan 0.000 0.445 258 V N 0.062 119.674 119.914 -0.504 0.000 2.252 258 V HA -0.380 3.740 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 2.592 64.428 62.300 -0.774 0.000 1.022 258 V CB -0.726 30.477 31.823 -1.033 0.000 0.641 258 V HN 0.729 nan 8.190 nan 0.000 0.445 259 E N 0.084 120.045 120.200 -0.398 0.000 2.065 259 E HA -0.317 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 1.846 58.096 56.400 -0.251 0.000 0.818 259 E CB -0.275 29.331 29.700 -0.156 0.000 0.749 259 E HN 0.567 nan 8.360 nan 0.000 0.453 260 A N 0.639 123.360 122.820 -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 1.970 53.948 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 0.015 119.873 119.914 -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 -1.495 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 4.132 4.320 0.000 0.000 0.214 262 A C 2.363 179.940 177.584 -0.011 0.000 1.200 262 A CA 1.708 53.730 52.037 -0.025 0.000 0.610 262 A CB -0.599 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 -0.399 120.079 120.500 -0.037 0.000 2.140 263 R HA -0.211 4.129 4.340 0.000 0.000 0.250 263 R C 1.841 178.130 176.300 -0.018 0.000 1.150 263 R CA 1.356 57.441 56.100 -0.025 0.000 0.966 263 R CB -0.579 29.703 30.300 -0.031 0.000 0.869 263 R HN 0.489 nan 8.270 nan 0.000 0.445 264 A N 0.488 123.300 122.820 -0.013 0.000 2.268 264 A HA 0.025 4.345 4.320 0.000 0.000 0.221 264 A C 0.265 177.824 177.584 -0.042 0.000 1.287 264 A CA 0.846 52.876 52.037 -0.011 0.000 0.902 264 A CB -0.093 18.918 19.000 0.018 0.000 0.877 264 A HN 0.353 nan 8.150 nan 0.000 0.487 265 S N -2.743 112.922 115.700 -0.059 0.000 4.266 265 S HA -0.034 4.436 4.470 0.000 0.000 0.071 265 S C 0.171 174.715 174.600 -0.093 0.000 0.860 265 S CA -0.056 58.078 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 1.581 56.418 54.840 -0.005 0.000 0.791 266 L CB -0.787 41.276 42.059 0.007 0.000 0.918 266 L HN 0.710 nan 8.230 nan 0.000 0.444 267 I N -0.371 120.180 120.570 -0.033 0.000 2.069 267 I HA -0.179 3.991 4.170 0.000 0.000 0.237 267 I C -0.857 175.232 176.117 -0.048 0.000 1.053 267 I CA 0.676 61.957 61.300 -0.031 0.000 1.311 267 I CB -2.653 35.335 38.000 -0.019 0.000 1.030 267 I HN 0.273 nan 8.210 nan 0.000 0.398 268 P HA -0.016 nan 4.420 nan 0.000 0.269 268 P C -0.436 176.893 177.300 0.047 0.000 1.215 268 P CA 0.055 63.116 63.100 -0.065 0.000 0.780 268 P CB 0.580 32.130 31.700 -0.250 0.000 0.898 269 E N 1.351 121.651 120.200 0.166 0.000 2.070 269 E HA 0.306 4.656 4.350 0.000 0.000 0.261 269 E C -1.422 175.359 176.600 0.301 0.000 0.926 269 E CA -0.496 56.008 56.400 0.173 0.000 0.760 269 E CB -0.003 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 2.643 122.499 119.950 -0.155 0.000 2.366 270 F HA 0.187 4.714 4.527 0.000 0.000 0.366 270 F C 0.525 176.162 175.800 -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 39.904 39.000 -0.767 0.000 1.282 270 F HN 0.237 nan 8.300 nan 0.000 0.450 271 S N 1.518 117.179 115.700 -0.065 0.000 2.568 271 S HA 0.008 4.478 4.470 0.000 0.000 0.282 271 S C 1.273 175.879 174.600 0.010 0.000 1.338 271 S CA -0.351 57.859 58.200 0.016 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 2.293 122.804 120.400 0.184 0.000 2.322 272 D HA -0.144 4.496 4.640 0.000 0.000 0.210 272 D C 1.670 178.108 176.300 0.230 0.000 0.983 272 D CA 1.417 55.632 54.000 0.358 0.000 0.902 272 D CB -1.089 39.909 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 0.122 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 1.298 176.251 174.900 0.088 0.000 1.140 273 G CA 0.409 45.573 45.100 0.106 0.000 0.775 273 G HN 0.306 nan 8.290 nan 0.000 0.545 274 F N 0.676 120.522 119.950 -0.174 0.000 2.126 274 F HA -0.068 4.459 4.527 0.000 0.000 0.299 274 F C 2.312 178.032 175.800 -0.134 0.000 1.096 274 F CA 1.372 59.217 58.000 -0.259 0.000 1.255 274 F CB -0.337 38.330 39.000 -0.555 0.000 0.997 274 F HN 0.271 nan 8.300 nan 0.000 0.479 275 W N 0.029 121.331 121.300 0.003 0.000 2.363 275 W HA -0.141 4.519 4.660 0.000 0.000 0.296 275 W C 2.469 179.132 176.519 0.239 0.000 1.212 275 W CA 1.202 58.480 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 -0.645 114.136 114.554 0.379 0.000 2.962 276 T HA 0.052 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 1.542 63.809 62.100 0.277 0.000 1.127 276 T CB -0.647 68.337 68.868 0.194 0.000 0.883 276 T HN 0.445 nan 8.240 nan 0.000 0.493 277 G N 0.465 109.334 108.800 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 1.208 176.137 174.900 0.049 0.000 0.982 277 G CA 0.577 45.713 45.100 0.061 0.000 0.641 277 G HN 0.507 nan 8.290 nan 0.000 0.527 278 S N -0.114 115.623 115.700 0.060 0.000 2.383 278 S HA 0.086 4.557 4.470 0.000 0.000 0.227 278 S C 1.200 175.829 174.600 0.048 0.000 1.026 278 S CA 1.637 59.869 58.200 0.053 0.000 0.981 278 S CB 0.028 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 -0.598 119.236 119.800 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 1.651 30.422 28.738 0.055 0.000 1.460 279 Q HN 0.156 nan 8.270 nan 0.000 0.452 280 L N 0.357 121.646 121.223 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 44.040 42.059 0.106 0.000 1.311 280 L HN 0.631 nan 8.230 nan 0.000 0.423 281 A N 1.251 124.095 122.820 0.040 0.000 2.292 281 A HA 0.644 4.964 4.320 0.000 0.000 0.319 281 A C -0.653 176.924 177.584 -0.012 0.000 1.206 281 A CA -0.355 51.531 52.037 -0.253 0.000 0.835 281 A CB 0.716 19.088 19.000 -1.047 0.000 1.164 281 A HN 0.760 nan 8.150 nan 0.000 0.505 282 c N 2.565 121.159 118.600 -0.010 0.000 2.355 282 c HA 0.518 5.089 4.570 0.000 0.000 0.332 282 c C -0.105 174.096 174.090 0.185 0.000 1.255 282 c CA -0.779 55.601 56.329 0.085 0.000 1.792 282 c CB 0.134 42.653 42.510 0.014 0.000 2.300 282 c HN 0.840 nan 8.230 nan 0.000 0.515 283 W N 2.251 123.587 121.300 0.059 0.000 2.469 283 W HA 0.271 4.931 4.660 0.000 0.000 0.320 283 W C 0.129 176.693 176.519 0.076 0.000 1.086 283 W CA -0.169 57.225 57.345 0.082 0.000 1.211 283 W CB 1.806 31.380 29.460 0.190 0.000 1.298 283 W HN 0.696 nan 8.180 nan 0.000 0.525 284 T N 2.929 117.408 114.554 -0.124 0.000 3.086 284 T HA -0.032 4.318 4.350 0.000 0.000 0.250 284 T C 0.406 175.128 174.700 0.037 0.000 1.074 284 T CA 0.123 62.229 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 1.208 176.419 175.510 -0.498 0.000 1.163 285 N CA -0.014 52.936 53.050 -0.165 0.000 0.864 285 N CB 2.040 40.513 38.487 -0.023 0.000 1.247 285 N HN 0.077 nan 8.380 nan 0.000 0.510 286 S N 0.448 115.708 115.700 -0.733 0.000 2.481 286 S HA -0.077 4.393 4.470 0.000 0.000 0.231 286 S C 0.603 175.043 174.600 -0.267 0.000 0.996 286 S CA 0.545 58.285 58.200 -0.767 0.000 0.942 286 S CB -0.026 62.945 63.200 -0.381 0.000 0.768 286 S HN 0.642 nan 8.310 nan 0.000 0.520 287 E N 3.052 123.190 120.200 -0.102 0.000 2.289 287 E HA 0.321 4.671 4.350 0.000 0.000 0.278 287 E C 0.126 176.621 176.600 -0.176 0.000 1.032 287 E CA -0.118 56.257 56.400 -0.042 0.000 0.854 287 E CB 0.946 30.687 29.700 0.067 0.000 1.046 287 E HN 0.430 nan 8.360 nan 0.000 0.409 288 T N 2.307 116.686 114.554 -0.292 0.000 2.913 288 T HA 0.291 4.641 4.350 0.000 0.000 0.297 288 T C -1.658 172.633 174.700 -0.681 0.000 1.029 288 T CA -1.399 60.303 62.100 -0.663 0.000 1.104 288 T CB 1.326 69.655 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 0.581 177.811 177.300 -0.117 0.000 1.427 289 P CA -0.255 62.345 63.100 -0.833 0.000 0.863 289 P CB -0.057 30.749 31.700 -1.490 0.000 1.444 290 W N 1.759 123.021 121.300 -0.064 0.000 2.409 290 W HA -0.074 4.586 4.660 0.000 0.000 0.299 290 W C 2.258 178.827 176.519 0.084 0.000 1.203 290 W CA 1.434 58.800 57.345 0.034 0.000 1.298 290 W CB -1.835 27.583 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 0.201 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 59.326 58.200 -0.104 0.000 0.963 291 S CB -1.131 61.904 63.200 -0.275 0.000 0.754 291 S HN 0.303 nan 8.310 nan 0.000 0.519 292 Y N -0.013 120.239 120.300 -0.079 0.000 2.462 292 Y HA 0.473 5.024 4.550 0.000 0.000 0.261 292 Y C 0.436 176.088 175.900 -0.413 0.000 1.146 292 Y CA -1.129 56.804 58.100 -0.279 0.000 1.283 292 Y CB -0.121 38.072 38.460 -0.445 0.000 1.090 292 Y HN 0.184 nan 8.280 nan 0.000 0.526 293 F N 2.102 122.101 119.950 0.082 0.000 2.440 293 F HA 0.487 5.014 4.527 0.000 0.000 0.328 293 F C -1.940 173.924 175.800 0.108 0.000 1.070 293 F CA -2.768 55.297 58.000 0.107 0.000 1.011 293 F CB 0.602 39.660 39.000 0.097 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 0.624 121.124 120.400 0.168 0.000 2.126 295 K HA 0.519 4.839 4.320 0.000 0.000 0.257 295 K C 0.005 176.668 176.600 0.104 0.000 1.007 295 K CA -0.541 55.838 56.287 0.153 0.000 0.928 295 K CB 0.509 33.049 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 -0.682 175.389 176.117 -0.077 0.000 1.026 296 I CA -0.455 60.811 61.300 -0.056 0.000 1.078 296 I CB 2.143 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 6.454 122.081 115.700 -0.123 0.000 2.526 297 S HA 0.686 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 2.089 65.134 63.200 -0.258 0.000 1.048 297 S HN 0.352 nan 8.310 nan 0.000 0.483 298 I N 2.634 122.989 120.570 -0.359 0.000 2.436 298 I HA 0.358 4.528 4.170 0.000 0.000 0.289 298 I C -1.420 174.393 176.117 -0.506 0.000 1.010 298 I CA -0.650 60.428 61.300 -0.370 0.000 1.098 298 I CB 1.278 39.064 38.000 -0.357 0.000 1.266 298 I HN 0.567 nan 8.210 nan 0.000 0.434 299 Y N 6.447 126.475 120.300 -0.454 0.000 2.326 299 Y HA 0.538 5.089 4.550 0.000 0.000 0.337 299 Y C -0.108 175.478 175.900 -0.523 0.000 1.023 299 Y CA -0.362 57.440 58.100 -0.498 0.000 1.143 299 Y CB 1.118 39.331 38.460 -0.413 0.000 1.183 299 Y HN 0.282 nan 8.280 nan 0.000 0.485 300 L N 3.936 124.766 121.223 -0.656 0.000 2.346 300 L HA 0.558 4.898 4.340 0.000 0.000 0.274 300 L C 0.043 176.598 176.870 -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 1.914 122.292 120.500 -0.204 0.000 2.489 301 R HA 0.030 4.370 4.340 0.000 0.000 0.287 301 R C -0.195 176.154 176.300 0.082 0.000 1.053 301 R CA -0.174 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 0.002 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 -0.163 120.201 120.200 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 0.445 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 1.164 116.917 115.700 0.088 0.000 2.545 305 S HA -0.373 4.097 4.470 0.000 0.000 0.311 305 S C 1.953 176.595 174.600 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 -0.076 4.394 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 0.721 58.959 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 0.505 121.073 120.500 0.113 0.000 2.923 307 R HA 0.734 5.074 4.340 0.000 0.000 0.252 307 R C -0.643 175.755 176.300 0.163 0.000 1.130 307 R CA -0.213 55.975 56.100 0.147 0.000 1.043 307 R CB 1.825 32.237 30.300 0.186 0.000 1.205 307 R HN 0.375 nan 8.270 nan 0.000 0.495 308 S N -0.006 115.807 115.700 0.188 0.000 2.596 308 S HA 0.700 5.170 4.470 0.000 0.000 0.270 308 S C -1.096 173.606 174.600 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 -0.816 119.078 119.950 -0.093 0.000 2.640 309 F HA 0.924 5.451 4.527 0.000 0.000 0.324 309 F C -0.527 175.034 175.800 -0.400 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 -0.972 0.000 1.351 309 F HN 0.986 nan 8.300 nan 0.000 0.487 310 R N 2.299 122.604 120.500 -0.325 0.000 2.621 310 R HA 0.753 5.093 4.340 0.000 0.000 0.284 310 R C -1.628 174.433 176.300 -0.398 0.000 0.998 310 R CA -0.863 54.820 56.100 -0.696 0.000 0.895 310 R CB 2.131 31.595 30.300 -1.393 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 0.625 4.796 4.170 0.000 0.000 0.301 311 I C -0.950 175.075 176.117 -0.153 0.000 0.984 311 I CA -0.713 60.387 61.300 -0.334 0.000 1.204 311 I CB 2.281 39.768 38.000 -0.855 0.000 1.362 311 I HN 0.583 nan 8.210 nan 0.000 0.471 312 T N 6.219 120.879 114.554 0.177 0.000 2.933 312 T HA 0.614 4.964 4.350 0.000 0.000 0.305 312 T C -0.430 174.384 174.700 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 0.576 121.219 120.570 0.121 0.000 2.509 313 I HA 0.657 4.827 4.170 0.000 0.000 0.293 313 I C -0.585 175.591 176.117 0.098 0.000 1.020 313 I CA -1.241 60.120 61.300 0.100 0.000 1.088 313 I CB 1.179 39.269 38.000 0.151 0.000 1.267 313 I HN 0.404 nan 8.210 nan 0.000 0.430 314 L N 5.558 126.783 121.223 0.004 0.000 2.454 314 L HA 0.416 4.756 4.340 0.000 0.000 0.256 314 L C -1.112 175.693 176.870 -0.109 0.000 1.136 314 L CA -1.665 53.159 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 -0.192 nan 4.420 nan 0.000 0.220 315 P C 0.891 177.715 177.300 -0.792 0.000 1.144 315 P CA 1.223 63.873 63.100 -0.750 0.000 0.800 315 P CB 0.246 31.697 31.700 -0.415 0.000 0.772 316 Q N -0.450 118.781 119.800 -0.949 0.000 2.291 316 Q HA -0.043 4.297 4.340 0.000 0.000 0.206 316 Q C 2.186 177.907 176.000 -0.466 0.000 0.976 316 Q CA 1.089 56.158 55.803 -1.222 0.000 0.875 316 Q CB -0.743 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 -1.218 119.836 121.223 -0.281 0.000 2.477 317 L HA 0.048 4.388 4.340 0.000 0.000 0.220 317 L C 1.109 178.018 176.870 0.065 0.000 1.106 317 L CA 0.422 55.223 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 -2.333 117.948 120.300 -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 -0.614 57.476 58.100 -0.017 0.000 1.230 318 Y CB 0.362 38.782 38.460 -0.066 0.000 1.214 318 Y HN -0.157 nan 8.280 nan 0.000 0.526 319 I N 3.560 124.086 120.570 -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 -0.718 60.656 61.300 0.122 0.000 1.089 319 I CB 0.486 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 6.069 126.091 119.800 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 -1.395 54.626 55.803 0.363 0.000 0.898 320 Q CB 0.776 29.648 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 -0.178 62.956 63.100 0.056 0.000 0.810 321 P CB 1.122 32.868 31.700 0.076 0.000 1.008 322 M N 1.682 121.218 119.600 -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 1.682 34.266 32.600 -0.026 0.000 1.740 322 M HN 0.342 nan 8.290 nan 0.000 0.464 323 M N 1.742 121.319 119.600 -0.038 0.000 2.226 323 M HA 0.064 4.544 4.480 0.000 0.000 0.352 323 M C 1.105 177.375 176.300 -0.051 0.000 1.226 323 M CA 1.078 56.357 55.300 -0.036 0.000 0.943 323 M CB 0.175 32.761 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 0.224 4.184 3.960 0.000 0.000 0.214 324 G HA3 0.224 4.184 3.960 0.000 0.000 0.214 324 G C 0.422 175.293 174.900 -0.048 0.000 1.331 324 G CA 0.951 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 -2.505 120.283 122.820 -0.053 0.000 2.431 325 A HA 0.466 4.787 4.320 0.000 0.000 0.685 325 A C 1.502 179.059 177.584 -0.045 0.000 0.140 325 A CA 1.146 53.156 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 -0.070 108.702 108.800 -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 0.552 175.418 174.900 -0.055 0.000 1.170 326 G CA 0.462 45.536 45.100 -0.043 0.000 0.944 326 G HN 2.369 nan 8.290 nan 0.000 0.567 327 L N 2.408 123.606 121.223 -0.042 0.000 2.653 327 L HA 0.426 4.766 4.340 0.000 0.000 0.231 327 L C 0.712 177.575 176.870 -0.012 0.000 1.153 327 L CA -0.289 54.527 54.840 -0.039 0.000 0.933 327 L CB -0.657 41.389 42.059 -0.022 0.000 1.175 327 L HN 0.480 nan 8.230 nan 0.000 0.473 328 N N -1.338 117.356 118.700 -0.010 0.000 2.473 328 N HA 0.066 4.806 4.740 0.000 0.000 0.291 328 N C 0.289 175.830 175.510 0.052 0.000 1.083 328 N CA -0.298 52.789 53.050 0.063 0.000 0.951 328 N CB 1.054 39.563 38.487 0.038 0.000 1.164 328 N HN -0.016 nan 8.380 nan 0.000 0.480 329 Y N 0.593 120.908 120.300 0.024 0.000 2.220 329 Y HA -0.085 4.465 4.550 0.000 0.000 0.291 329 Y C 1.111 176.988 175.900 -0.038 0.000 1.129 329 Y CA 1.021 59.130 58.100 0.015 0.000 1.161 329 Y CB 0.402 38.898 38.460 0.060 0.000 0.997 329 Y HN 0.554 nan 8.280 nan 0.000 0.522 330 E N -2.328 117.925 120.200 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 -0.776 55.546 56.400 -0.130 0.000 0.869 330 E CB 0.983 30.522 29.700 -0.268 0.000 1.393 330 E HN -0.045 nan 8.360 nan 0.000 0.443 331 c N 0.274 118.683 118.600 -0.319 0.000 2.614 331 c HA 0.789 5.360 4.570 0.000 0.000 0.320 331 c C -1.148 172.732 174.090 -0.350 0.000 1.200 331 c CA -0.526 55.672 56.329 -0.219 0.000 1.700 331 c CB 0.264 42.739 42.510 -0.058 0.000 2.275 331 c HN 0.618 nan 8.230 nan 0.000 0.492 332 Y N 0.689 121.065 120.300 0.127 0.000 2.446 332 Y HA 0.676 5.226 4.550 0.000 0.000 0.345 332 Y C 0.426 176.536 175.900 0.351 0.000 0.984 332 Y CA -0.857 57.374 58.100 0.219 0.000 1.058 332 Y CB 1.141 39.748 38.460 0.245 0.000 1.220 332 Y HN 0.648 nan 8.280 nan 0.000 0.455 333 R N 1.216 121.987 120.500 0.452 0.000 2.787 333 R HA 0.617 4.957 4.340 0.000 0.000 0.271 333 R C -1.549 174.921 176.300 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 1.716 121.489 119.950 -0.295 0.000 2.445 334 F HA 0.366 4.893 4.527 0.000 0.000 0.359 334 F C 0.901 176.743 175.800 0.071 0.000 1.101 334 F CA -0.811 57.078 58.000 -0.184 0.000 1.177 334 F CB 1.419 40.124 39.000 -0.492 0.000 1.110 334 F HN 0.844 nan 8.300 nan 0.000 0.522 335 G N 7.005 115.730 108.800 -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 0.208 120.321 120.570 -0.760 0.000 2.498 336 I HA 0.423 4.593 4.170 0.000 0.000 0.290 336 I C -0.545 175.586 176.117 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 40.004 38.000 -0.634 0.000 1.251 336 I HN -0.018 nan 8.210 nan 0.000 0.426 337 S N 7.191 122.903 115.700 0.020 0.000 2.542 337 S HA 0.674 5.144 4.470 0.000 0.000 0.293 337 S C -2.849 171.469 174.600 -0.469 0.000 1.089 337 S CA -1.650 56.451 58.200 -0.166 0.000 0.961 337 S CB 2.307 65.440 63.200 -0.112 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 -0.949 176.159 177.300 -0.320 0.000 1.253 338 P CA -0.320 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 1.520 117.121 115.700 -0.165 0.000 2.607 339 S HA 0.450 4.920 4.470 0.000 0.000 0.303 339 S C 1.049 175.614 174.600 -0.058 0.000 1.086 339 S CA -0.323 57.819 58.200 -0.095 0.000 0.995 339 S CB 1.045 64.204 63.200 -0.067 0.000 1.084 339 S HN 0.372 nan 8.310 nan 0.000 0.507 340 T N 2.086 116.613 114.554 -0.044 0.000 2.814 340 T HA 0.236 4.586 4.350 0.000 0.000 0.254 340 T C 0.133 174.825 174.700 -0.013 0.000 1.037 340 T CA 0.685 62.771 62.100 -0.023 0.000 1.143 340 T CB -0.286 68.571 68.868 -0.018 0.000 0.866 340 T HN 0.630 nan 8.240 nan 0.000 0.431 341 N N 1.231 119.920 118.700 -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 0.844 123.646 122.820 -0.030 0.000 2.539 342 A HA 0.175 4.495 4.320 0.000 0.000 0.302 342 A C -2.266 175.294 177.584 -0.040 0.000 0.844 342 A CA -0.805 51.197 52.037 -0.058 0.000 0.630 342 A CB -0.031 18.887 19.000 -0.138 0.000 1.214 342 A HN 0.294 nan 8.150 nan 0.000 0.363 343 L N 2.498 123.704 121.223 -0.028 0.000 2.295 343 L HA 0.704 5.044 4.340 0.000 0.000 0.281 343 L C -0.797 176.052 176.870 -0.034 0.000 1.018 343 L CA -0.421 54.415 54.840 -0.007 0.000 0.841 343 L CB 1.283 43.362 42.059 0.033 0.000 1.218 343 L HN 0.701 nan 8.230 nan 0.000 0.424 344 V N 6.904 126.792 119.914 -0.043 0.000 2.328 344 V HA 0.357 4.477 4.120 0.000 0.000 0.278 344 V C 0.545 176.632 176.094 -0.011 0.000 1.021 344 V CA -0.455 61.818 62.300 -0.045 0.000 0.838 344 V CB 1.147 32.928 31.823 -0.069 0.000 0.999 344 V HN 0.550 nan 8.190 nan 0.000 0.447 345 I N 5.425 126.004 120.570 0.015 0.000 2.293 345 I HA 0.300 4.471 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 0.219 38.257 38.000 0.064 0.000 1.460 345 I HN 0.733 nan 8.210 nan 0.000 0.552 346 G N 3.276 112.103 108.800 0.045 0.000 2.574 346 G HA2 0.444 4.404 3.960 0.000 0.000 0.248 346 G HA3 0.444 4.404 3.960 0.000 0.000 0.248 346 G C 1.083 176.031 174.900 0.081 0.000 1.422 346 G CA 0.216 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 -0.913 121.960 122.820 0.089 0.000 1.892 347 A HA -0.167 4.153 4.320 0.000 0.000 0.218 347 A C 2.595 180.250 177.584 0.119 0.000 1.188 347 A CA 3.417 55.525 52.037 0.119 0.000 0.631 347 A CB -1.517 17.581 19.000 0.164 0.000 0.822 347 A HN 1.228 nan 8.150 nan 0.000 0.447 348 T N -2.081 112.532 114.554 0.097 0.000 2.822 348 T HA -0.127 4.224 4.350 0.000 0.000 0.270 348 T C 1.559 176.326 174.700 0.113 0.000 1.064 348 T CA 2.162 64.319 62.100 0.095 0.000 1.131 348 T CB -0.398 68.509 68.868 0.064 0.000 0.858 348 T HN 0.115 nan 8.240 nan 0.000 0.483 349 V N 0.326 120.315 119.914 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 -0.297 119.438 119.600 0.224 0.000 2.358 350 M HA -0.183 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 56.902 55.300 0.235 0.000 1.093 350 M CB -0.338 32.333 32.600 0.119 0.000 1.401 350 M HN 0.309 nan 8.290 nan 0.000 0.440 351 E N -0.005 120.269 120.200 0.123 0.000 2.401 351 E HA -0.129 4.221 4.350 0.000 0.000 0.199 351 E C 1.690 178.288 176.600 -0.003 0.000 1.023 351 E CA 0.941 57.374 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 -1.017 107.775 108.800 -0.013 0.000 3.020 352 G HA2 0.152 4.112 3.960 0.000 0.000 0.217 352 G HA3 0.152 4.112 3.960 0.000 0.000 0.217 352 G C -0.053 174.397 174.900 -0.751 0.000 1.144 352 G CA -0.206 44.660 45.100 -0.391 0.000 0.760 352 G HN 0.013 nan 8.290 nan 0.000 0.548 353 F N -2.075 117.918 119.950 0.072 0.000 2.706 353 F HA 0.528 5.055 4.527 0.000 0.000 0.328 353 F C -1.126 174.736 175.800 0.104 0.000 1.123 353 F CA -1.951 56.113 58.000 0.107 0.000 0.978 353 F CB 1.191 40.305 39.000 0.190 0.000 1.404 353 F HN -0.136 nan 8.300 nan 0.000 0.497 354 Y N 2.078 122.459 120.300 0.135 0.000 2.417 354 Y HA 0.666 5.216 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 8.247 127.958 119.914 -0.338 0.000 2.439 355 V HA 0.333 4.454 4.120 0.000 0.000 0.282 355 V C 0.156 175.663 176.094 -0.979 0.000 1.039 355 V CA -0.634 61.178 62.300 -0.813 0.000 0.913 355 V CB 1.270 32.609 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 -0.841 174.719 176.117 -0.929 0.000 1.007 356 I CA -0.186 60.590 61.300 -0.874 0.000 1.167 356 I CB 1.139 38.749 38.000 -0.651 0.000 1.320 356 I HN 0.483 nan 8.210 nan 0.000 0.458 357 F N 4.294 123.730 119.950 -0.856 0.000 2.451 357 F HA 0.158 4.685 4.527 0.000 0.000 0.356 357 F C 0.917 176.370 175.800 -0.578 0.000 1.178 357 F CA -0.465 56.959 58.000 -0.961 0.000 1.210 357 F CB 0.127 38.006 39.000 -1.867 0.000 1.504 357 F HN 0.402 nan 8.300 nan 0.000 0.598 358 D N 3.267 123.564 120.400 -0.172 0.000 2.619 358 D HA 0.086 4.727 4.640 0.000 0.000 0.224 358 D C 1.430 177.780 176.300 0.084 0.000 1.133 358 D CA 0.086 54.065 54.000 -0.034 0.000 1.017 358 D CB 0.197 40.963 40.800 -0.056 0.000 1.077 358 D HN 0.473 nan 8.370 nan 0.000 0.503 359 R N 1.000 121.605 120.500 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 -0.018 30.530 30.300 0.413 0.000 0.865 359 R HN 0.286 nan 8.270 nan 0.000 0.447 360 A N 1.125 124.049 122.820 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 18.825 19.000 0.085 0.000 0.822 360 A HN 0.338 nan 8.150 nan 0.000 0.443 361 Q N -1.132 118.684 119.800 0.026 0.000 2.212 361 Q HA 0.212 4.552 4.340 0.000 0.000 0.213 361 Q C -0.433 175.570 176.000 0.005 0.000 0.874 361 Q CA -0.148 55.643 55.803 -0.020 0.000 0.965 361 Q CB 0.151 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 1.951 122.396 120.400 0.076 0.000 3.490 362 K HA -0.251 4.069 4.320 0.000 0.000 0.273 362 K C -0.992 175.673 176.600 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 -1.989 118.574 120.500 0.105 0.000 2.692 363 R HA 0.594 4.934 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 1.437 31.757 30.300 0.033 0.000 1.250 363 R HN -0.053 nan 8.270 nan 0.000 0.465 364 V N 0.779 120.780 119.914 0.144 0.000 2.487 364 V HA 0.720 4.840 4.120 0.000 0.000 0.298 364 V C 0.073 176.159 176.094 -0.013 0.000 1.028 364 V CA -0.348 61.894 62.300 -0.096 0.000 0.860 364 V CB 1.801 33.511 31.823 -0.189 0.000 0.991 364 V HN 0.938 nan 8.190 nan 0.000 0.427 365 G N 2.864 111.446 108.800 -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 -1.549 172.941 174.900 -0.682 0.000 1.198 365 G CA -0.374 44.340 45.100 -0.645 0.000 0.959 365 G HN 0.345 nan 8.290 nan 0.000 0.482 366 F N 0.041 119.682 119.950 -0.515 0.000 2.577 366 F HA 0.810 5.337 4.527 0.000 0.000 0.318 366 F C 0.408 176.073 175.800 -0.226 0.000 1.065 366 F CA -0.876 56.924 58.000 -0.334 0.000 0.929 366 F CB 2.754 41.583 39.000 -0.284 0.000 1.237 366 F HN 0.708 nan 8.300 nan 0.000 0.468 367 A N 0.939 123.867 122.820 0.180 0.000 2.520 367 A HA 0.793 5.113 4.320 0.000 0.000 0.298 367 A C -1.116 176.693 177.584 0.376 0.000 1.051 367 A CA -0.743 51.422 52.037 0.212 0.000 0.690 367 A CB 0.951 19.953 19.000 0.004 0.000 1.281 367 A HN 1.183 nan 8.150 nan 0.000 0.402 368 A N 1.222 124.232 122.820 0.316 0.000 2.561 368 A HA 0.460 4.780 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 0.962 53.096 52.037 0.162 0.000 0.761 368 A CB -0.261 18.808 19.000 0.116 0.000 0.986 368 A HN 1.571 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 -1.385 173.175 174.600 -0.067 0.000 1.115 369 S CA -1.536 56.650 58.200 -0.024 0.000 1.071 369 S CB 0.534 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 -0.132 nan 4.420 nan 0.000 0.214 370 P C 1.762 179.025 177.300 -0.062 0.000 1.163 370 P CA 1.289 64.355 63.100 -0.056 0.000 0.889 370 P CB -0.248 31.417 31.700 -0.059 0.000 0.790 371 c N -1.126 117.436 118.600 -0.063 0.000 2.413 371 c HA 0.161 4.731 4.570 0.000 0.000 0.292 371 c C 1.909 175.968 174.090 -0.051 0.000 1.435 371 c CA -0.155 56.144 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 0.190 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 0.389 4.709 4.320 0.000 0.000 0.255 372 A C 0.656 178.177 177.584 -0.104 0.000 1.583 372 A CA 0.119 52.096 52.037 -0.099 0.000 1.234 372 A CB -0.604 18.300 19.000 -0.160 0.000 1.076 372 A HN 0.798 nan 8.150 nan 0.000 0.653 373 E N 0.858 121.014 120.200 -0.073 0.000 2.263 373 E HA 0.546 4.896 4.350 0.000 0.000 0.264 373 E C -1.623 174.943 176.600 -0.057 0.000 0.923 373 E CA -0.629 55.730 56.400 -0.069 0.000 0.802 373 E CB 1.279 30.950 29.700 -0.048 0.000 1.228 373 E HN 0.096 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 -0.120 175.999 176.117 0.003 0.000 1.083 374 I CA 0.033 61.315 61.300 -0.030 0.000 1.080 374 I CB 0.507 38.451 38.000 -0.094 0.000 1.205 374 I HN 0.788 nan 8.210 nan 0.000 0.459 375 A N 4.450 127.285 122.820 0.025 0.000 3.009 375 A HA 0.002 4.322 4.320 0.000 0.000 0.264 375 A C 1.343 178.935 177.584 0.014 0.000 1.408 375 A CA 1.290 53.347 52.037 0.034 0.000 0.789 375 A CB -1.842 17.192 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 0.226 4.187 3.960 0.000 0.000 0.252 376 G HA3 0.226 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 1.321 46.417 45.100 -0.007 0.000 0.698 376 G HN 2.645 nan 8.290 nan 0.000 0.521 377 A N -0.349 122.456 122.820 -0.025 0.000 2.331 377 A HA 0.969 5.290 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 0.584 52.599 52.037 -0.038 0.000 0.790 377 A CB 1.236 20.216 19.000 -0.033 0.000 1.206 377 A HN 2.046 nan 8.150 nan 0.000 0.470 378 A N 1.443 124.225 122.820 -0.064 0.000 2.511 378 A HA 0.398 4.718 4.320 0.000 0.000 0.242 378 A C 0.755 178.270 177.584 -0.115 0.000 1.069 378 A CA 0.414 52.400 52.037 -0.085 0.000 0.763 378 A CB 0.390 19.350 19.000 -0.067 0.000 1.001 378 A HN 1.752 nan 8.150 nan 0.000 0.498 379 V N 2.137 121.961 119.914 -0.151 0.000 3.528 379 V HA 0.233 4.353 4.120 0.000 0.000 0.294 379 V C 0.477 176.460 176.094 -0.185 0.000 1.404 379 V CA 1.257 63.447 62.300 -0.184 0.000 1.065 379 V CB -0.333 31.361 31.823 -0.214 0.000 0.904 379 V HN 1.186 nan 8.190 nan 0.000 0.435 380 S N -0.775 114.800 115.700 -0.209 0.000 2.556 380 S HA 0.770 5.240 4.470 0.000 0.000 0.271 380 S C -1.079 173.422 174.600 -0.165 0.000 1.135 380 S CA -0.801 57.240 58.200 -0.266 0.000 0.858 380 S CB 2.622 65.412 63.200 -0.684 0.000 1.114 380 S HN 0.300 nan 8.310 nan 0.000 0.468 381 E N 0.300 120.486 120.200 -0.024 0.000 2.393 381 E HA 0.726 5.076 4.350 0.000 0.000 0.273 381 E C -1.457 175.267 176.600 0.207 0.000 0.918 381 E CA -0.839 55.598 56.400 0.061 0.000 0.773 381 E CB 2.701 32.422 29.700 0.035 0.000 1.275 381 E HN 0.666 nan 8.360 nan 0.000 0.451 382 I N 1.302 121.975 120.570 0.172 0.000 2.692 382 I HA 0.475 4.645 4.170 0.000 0.000 0.293 382 I C -1.704 174.450 176.117 0.062 0.000 1.200 382 I CA -0.105 61.282 61.300 0.146 0.000 1.036 382 I CB 1.493 39.648 38.000 0.260 0.000 1.258 382 I HN 0.722 nan 8.210 nan 0.000 0.421 383 S N 4.419 120.082 115.700 -0.062 0.000 2.587 383 S HA 1.018 5.488 4.470 0.000 0.000 0.269 383 S C -0.702 173.708 174.600 -0.315 0.000 1.154 383 S CA -0.130 58.022 58.200 -0.081 0.000 0.824 383 S CB 1.799 65.025 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 -3.553 171.166 174.900 -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 -1.402 175.717 177.300 -0.301 0.000 1.270 385 P CA -0.498 62.499 63.100 -0.171 0.000 0.844 385 P CB 1.553 33.364 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 1.366 177.184 175.800 0.031 0.000 1.064 386 F CA -0.680 57.344 58.000 0.041 0.000 0.986 386 F CB 1.465 40.525 39.000 0.099 0.000 1.218 386 F HN 0.167 nan 8.300 nan 0.000 0.484 387 S N -0.009 115.807 115.700 0.193 0.000 2.528 387 S HA 0.188 4.659 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 0.106 58.368 58.200 0.104 0.000 1.052 387 S CB 0.535 63.775 63.200 0.067 0.000 0.917 387 S HN 0.850 nan 8.310 nan 0.000 0.492 388 T N 1.442 116.027 114.554 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 -0.100 62.009 62.100 0.015 0.000 1.088 388 T CB -0.204 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 0.243 176.845 176.600 0.003 0.000 1.268 389 E CA 0.679 57.086 56.400 0.012 0.000 0.999 389 E CB -0.071 29.641 29.700 0.020 0.000 1.072 389 E HN 0.872 nan 8.360 nan 0.000 0.428 390 D N -0.380 120.015 120.400 -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 53.983 54.000 -0.016 0.000 1.367 390 D CB 0.114 40.903 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 0.537 176.612 176.094 -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 0.971 nan 8.190 nan 0.000 0.425 392 A N 3.710 126.516 122.820 -0.023 0.000 5.055 392 A HA 0.177 4.497 4.320 0.000 0.000 0.228 392 A C 0.836 178.416 177.584 -0.007 0.000 2.448 392 A CA 1.111 53.140 52.037 -0.013 0.000 0.709 392 A CB -1.804 17.189 19.000 -0.011 0.000 0.854 392 A HN 2.047 nan 8.150 nan 0.000 0.303 393 S N -1.914 113.786 115.700 0.000 0.000 1.492 393 S HA -0.038 4.432 4.470 0.000 0.000 0.252 393 S C -0.207 174.399 174.600 0.010 0.000 0.575 393 S CA 1.218 59.421 58.200 0.005 0.000 0.913 393 S CB -0.936 62.265 63.200 0.001 0.000 0.734 393 S HN 2.367 nan 8.310 nan 0.000 0.488 394 N N -0.241 118.464 118.700 0.009 0.000 2.752 394 N HA 0.372 5.112 4.740 0.000 0.000 0.268 394 N C -0.579 174.940 175.510 0.015 0.000 1.190 394 N CA -0.009 53.050 53.050 0.015 0.000 0.897 394 N CB 0.619 39.114 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 0.211 4.781 4.570 0.000 0.000 0.273 395 c C 0.775 174.887 174.090 0.037 0.000 1.304 395 c CA -0.407 55.939 56.329 0.028 0.000 1.702 395 c CB -1.728 40.811 42.510 0.048 0.000 1.792 395 c HN 0.559 nan 8.230 nan 0.000 0.588 396 V N 0.410 120.348 119.914 0.039 0.000 2.288 396 V HA 0.381 4.501 4.120 0.000 0.000 0.266 396 V C -2.095 174.020 176.094 0.034 0.000 1.048 396 V CA -2.104 60.226 62.300 0.050 0.000 0.842 396 V CB -0.268 31.593 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 0.002 177.314 177.300 0.020 0.000 1.195 397 P CA 0.466 63.576 63.100 0.018 0.000 0.768 397 P CB 1.286 32.994 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