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 1dz8_1_B DATA FIRST_RESID 10 DATA SEQUENCE NLAPLPPHVP EHLVFDFDMY NPSNLSAGVQ EAWAVLQESN VPDLVWTRCN DATA SEQUENCE GGHWIATRGQ LIREAYEDYR HFSSECPFIP REAGEAYDFI PTSMDPPEQR DATA SEQUENCE QFRALANQVV GMPVVDKLEN RIQELACSLI ESLRPQGQCN FTEDYAEPFP DATA SEQUENCE IRIFMLLAGL PEEDIPHLKY LTDQMTRPDG SMTFAEAKEA LYDYLIPIIE DATA SEQUENCE QRRQKPGTDA ISIVANGQVN GRPITSDEAK RMCGLLLVGG LDTVVNFLSF DATA SEQUENCE SMEFLAKSPE HRQELIQRPE RIPAACEELL RRFSLVADGR ILTSDYEFHG DATA SEQUENCE VQLKKGDQIL LPQMLSGLDE RENACPMHVD FSRQKVSHTT FGHGSHLCLG DATA SEQUENCE QHLARREIIV TLKEWLTRIP DFSIAPGAQI QHKSGIVSGV QALPLVWDPA DATA SEQUENCE TTKAV 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 10 N HA 0.000 nan 4.740 nan 0.000 0.220 10 N C 0.000 175.500 175.510 -0.017 0.000 1.280 10 N CA 0.000 53.042 53.050 -0.014 0.000 0.885 10 N CB 0.000 38.476 38.487 -0.018 0.000 1.341 11 L N 1.604 122.818 121.223 -0.015 0.000 2.275 11 L HA 0.839 5.183 4.340 0.006 0.000 0.288 11 L C 0.493 177.371 176.870 0.013 0.000 1.046 11 L CA -1.196 53.637 54.840 -0.012 0.000 0.805 11 L CB 0.815 42.863 42.059 -0.018 0.000 1.193 11 L HN 0.364 nan 8.230 nan 0.000 0.426 12 A N 6.304 129.144 122.820 0.033 0.000 2.371 12 A HA 0.650 4.974 4.320 0.006 0.000 0.257 12 A C -2.170 175.458 177.584 0.074 0.000 1.089 12 A CA -1.082 50.991 52.037 0.060 0.000 0.794 12 A CB -0.444 18.610 19.000 0.089 0.000 1.029 12 A HN 0.577 nan 8.150 nan 0.000 0.488 13 P HA 0.100 nan 4.420 nan 0.000 0.265 13 P C -0.357 176.956 177.300 0.021 0.000 1.193 13 P CA -0.151 62.965 63.100 0.027 0.000 0.765 13 P CB 0.234 31.943 31.700 0.015 0.000 0.823 14 L N 7.025 128.231 121.223 -0.028 0.000 2.534 14 L HA 0.199 4.543 4.340 0.006 0.000 0.271 14 L C -2.018 174.719 176.870 -0.222 0.000 1.178 14 L CA -1.325 53.425 54.840 -0.150 0.000 0.907 14 L CB -0.764 41.191 42.059 -0.173 0.000 1.164 14 L HN 0.320 nan 8.230 nan 0.000 0.482 15 P HA 0.120 nan 4.420 nan 0.000 0.269 15 P C -2.177 174.965 177.300 -0.264 0.000 1.217 15 P CA -0.877 62.065 63.100 -0.264 0.000 0.783 15 P CB 0.022 31.500 31.700 -0.370 0.000 0.898 16 P HA -0.166 nan 4.420 nan 0.000 0.218 16 P C 1.239 178.513 177.300 -0.043 0.000 1.149 16 P CA 1.411 64.480 63.100 -0.052 0.000 0.817 16 P CB -0.403 31.306 31.700 0.014 0.000 0.785 17 H N -1.733 117.274 119.070 -0.106 0.000 2.547 17 H HA 0.085 4.645 4.556 0.006 0.000 0.272 17 H C 0.098 175.384 175.328 -0.069 0.000 0.989 17 H CA 0.323 56.335 56.048 -0.060 0.000 1.214 17 H CB -0.871 28.886 29.762 -0.008 0.000 1.389 17 H HN -0.086 nan 8.280 nan 0.000 0.577 18 V N 4.505 123.993 119.914 -0.709 0.000 2.461 18 V HA 0.177 4.301 4.120 0.006 0.000 0.275 18 V C -2.033 173.871 176.094 -0.315 0.000 1.047 18 V CA -1.615 60.304 62.300 -0.635 0.000 0.955 18 V CB 1.245 32.252 31.823 -1.360 0.000 0.988 18 V HN 0.216 nan 8.190 nan 0.000 0.471 19 P HA 0.172 nan 4.420 nan 0.000 0.267 19 P C 0.415 177.650 177.300 -0.108 0.000 1.205 19 P CA -0.118 62.946 63.100 -0.059 0.000 0.765 19 P CB 0.822 32.507 31.700 -0.024 0.000 0.828 20 E N 1.549 121.746 120.200 -0.005 0.000 2.118 20 E HA -0.238 4.115 4.350 0.006 0.000 0.195 20 E C 1.693 178.320 176.600 0.046 0.000 0.992 20 E CA 1.426 57.830 56.400 0.006 0.000 0.804 20 E CB -0.577 29.148 29.700 0.041 0.000 0.741 20 E HN 0.623 nan 8.360 nan 0.000 0.458 21 H N -0.401 118.684 119.070 0.025 0.000 2.559 21 H HA 0.037 4.597 4.556 0.006 0.000 0.273 21 H C 1.231 176.607 175.328 0.080 0.000 1.000 21 H CA 0.658 56.733 56.048 0.046 0.000 1.195 21 H CB -0.165 29.619 29.762 0.037 0.000 1.368 21 H HN 0.206 nan 8.280 nan 0.000 0.592 22 L N 1.337 122.370 121.223 -0.317 0.000 2.667 22 L HA 0.211 4.554 4.340 0.006 0.000 0.232 22 L C 0.139 177.050 176.870 0.069 0.000 1.138 22 L CA -0.318 54.450 54.840 -0.120 0.000 0.921 22 L CB 0.788 42.785 42.059 -0.103 0.000 1.180 22 L HN -0.042 nan 8.230 nan 0.000 0.487 23 V N 0.817 120.773 119.914 0.069 0.000 2.555 23 V HA 0.064 4.188 4.120 0.006 0.000 0.286 23 V C -0.582 175.624 176.094 0.187 0.000 1.044 23 V CA 0.252 62.631 62.300 0.132 0.000 1.026 23 V CB 1.039 32.909 31.823 0.078 0.000 0.981 23 V HN 0.113 nan 8.190 nan 0.000 0.480 24 F N 3.968 123.923 119.950 0.008 0.000 2.831 24 F HA 0.393 4.924 4.527 0.005 0.000 0.346 24 F C -0.029 175.754 175.800 -0.028 0.000 1.224 24 F CA -0.742 57.255 58.000 -0.005 0.000 1.048 24 F CB 1.420 40.415 39.000 -0.009 0.000 1.339 24 F HN 0.517 nan 8.300 nan 0.000 0.514 25 D N 6.760 127.004 120.400 -0.261 0.000 2.619 25 D HA 0.021 4.665 4.640 0.006 0.000 0.224 25 D C -0.283 175.917 176.300 -0.167 0.000 1.133 25 D CA 0.262 54.155 54.000 -0.177 0.000 1.017 25 D CB 0.018 40.717 40.800 -0.169 0.000 1.077 25 D HN 0.274 nan 8.370 nan 0.000 0.503 26 F N 1.868 121.717 119.950 -0.169 0.000 2.443 26 F HA 0.091 4.621 4.527 0.006 0.000 0.353 26 F C 0.524 176.204 175.800 -0.200 0.000 1.101 26 F CA -0.476 57.438 58.000 -0.144 0.000 1.226 26 F CB 0.846 39.845 39.000 -0.001 0.000 1.140 26 F HN -0.082 nan 8.300 nan 0.000 0.557 27 D N 7.065 127.012 120.400 -0.754 0.000 2.427 27 D HA 0.113 4.757 4.640 0.006 0.000 0.226 27 D C 0.829 176.649 176.300 -0.801 0.000 1.076 27 D CA -0.472 53.220 54.000 -0.512 0.000 0.849 27 D CB 0.982 41.580 40.800 -0.336 0.000 1.052 27 D HN 0.725 nan 8.370 nan 0.000 0.515 28 M N 2.013 121.328 119.600 -0.476 0.000 2.460 28 M HA -0.066 4.417 4.480 0.006 0.000 0.263 28 M C 0.162 176.224 176.300 -0.397 0.000 1.071 28 M CA 1.176 56.193 55.300 -0.472 0.000 1.096 28 M CB -0.156 32.352 32.600 -0.152 0.000 1.408 28 M HN 0.183 nan 8.290 nan 0.000 0.463 29 Y N 0.711 120.956 120.300 -0.091 0.000 2.457 29 Y HA 0.313 4.868 4.550 0.008 0.000 0.263 29 Y C 0.431 176.295 175.900 -0.059 0.000 1.164 29 Y CA -0.047 58.040 58.100 -0.023 0.000 1.274 29 Y CB 0.358 38.811 38.460 -0.011 0.000 1.097 29 Y HN 0.469 nan 8.280 nan 0.000 0.523 30 N N 0.742 119.403 118.700 -0.065 0.000 2.926 30 N HA 0.082 4.826 4.740 0.006 0.000 0.201 30 N C -3.251 172.106 175.510 -0.254 0.000 1.419 30 N CA -0.912 52.082 53.050 -0.093 0.000 0.838 30 N CB 0.905 39.362 38.487 -0.049 0.000 1.534 30 N HN -0.180 nan 8.380 nan 0.000 0.569 31 P HA 0.125 nan 4.420 nan 0.000 0.271 31 P C 0.647 177.786 177.300 -0.269 0.000 1.216 31 P CA 0.013 62.767 63.100 -0.576 0.000 0.776 31 P CB 1.587 32.874 31.700 -0.688 0.000 0.881 32 S N 1.636 117.192 115.700 -0.240 0.000 2.374 32 S HA -0.193 4.280 4.470 0.006 0.000 0.227 32 S C 1.417 175.991 174.600 -0.044 0.000 1.037 32 S CA 1.457 59.588 58.200 -0.115 0.000 1.024 32 S CB -0.729 62.416 63.200 -0.091 0.000 0.861 32 S HN 0.677 nan 8.310 nan 0.000 0.456 33 N N 0.834 119.533 118.700 -0.002 0.000 2.346 33 N HA 0.065 4.808 4.740 0.006 0.000 0.225 33 N C 1.166 176.711 175.510 0.058 0.000 1.144 33 N CA -0.155 52.918 53.050 0.038 0.000 0.837 33 N CB -0.046 38.482 38.487 0.070 0.000 1.069 33 N HN 0.140 nan 8.380 nan 0.000 0.487 34 L N 1.178 122.429 121.223 0.045 0.000 2.129 34 L HA -0.189 4.155 4.340 0.006 0.000 0.212 34 L C 2.299 179.216 176.870 0.078 0.000 1.087 34 L CA 1.752 56.644 54.840 0.088 0.000 0.757 34 L CB -0.739 41.365 42.059 0.074 0.000 0.896 34 L HN 0.299 nan 8.230 nan 0.000 0.434 35 S N -1.692 114.032 115.700 0.041 0.000 2.515 35 S HA 0.057 4.530 4.470 0.006 0.000 0.231 35 S C 1.837 176.442 174.600 0.009 0.000 0.987 35 S CA 0.467 58.677 58.200 0.016 0.000 0.936 35 S CB -0.511 62.697 63.200 0.012 0.000 0.766 35 S HN 0.429 nan 8.310 nan 0.000 0.528 36 A N 0.955 123.799 122.820 0.039 0.000 2.178 36 A HA 0.612 4.936 4.320 0.006 0.000 0.211 36 A C 1.168 178.793 177.584 0.069 0.000 1.157 36 A CA 0.304 52.370 52.037 0.049 0.000 0.780 36 A CB -0.536 18.503 19.000 0.066 0.000 0.828 36 A HN 1.493 nan 8.150 nan 0.000 0.476 37 G N -2.165 106.685 108.800 0.083 0.000 2.653 37 G HA2 0.149 4.112 3.960 0.006 0.000 0.656 37 G HA3 0.149 4.112 3.960 0.006 0.000 0.656 37 G C 0.331 175.451 174.900 0.367 0.000 1.419 37 G CA -0.142 45.072 45.100 0.190 0.000 0.862 37 G HN 0.813 nan 8.290 nan 0.000 0.639 38 V N 1.608 121.907 119.914 0.643 0.000 2.343 38 V HA -0.155 3.968 4.120 0.006 0.000 0.247 38 V C 2.693 178.993 176.094 0.343 0.000 1.051 38 V CA 3.315 65.881 62.300 0.444 0.000 1.036 38 V CB -0.313 31.750 31.823 0.400 0.000 0.654 38 V HN 0.811 nan 8.190 nan 0.000 0.451 39 Q N 0.055 119.934 119.800 0.131 0.000 2.096 39 Q HA -0.233 4.111 4.340 0.006 0.000 0.204 39 Q C 2.089 178.175 176.000 0.143 0.000 0.982 39 Q CA 2.367 58.197 55.803 0.046 0.000 0.850 39 Q CB -0.343 28.324 28.738 -0.119 0.000 0.901 39 Q HN 0.728 nan 8.270 nan 0.000 0.422 40 E N 0.076 120.363 120.200 0.145 0.000 2.085 40 E HA -0.175 4.179 4.350 0.006 0.000 0.194 40 E C 1.835 178.540 176.600 0.176 0.000 0.994 40 E CA 1.309 57.786 56.400 0.129 0.000 0.801 40 E CB -0.387 29.382 29.700 0.115 0.000 0.743 40 E HN 0.416 nan 8.360 nan 0.000 0.453 41 A N -0.035 122.926 122.820 0.234 0.000 1.908 41 A HA -0.182 4.142 4.320 0.006 0.000 0.218 41 A C 1.792 179.560 177.584 0.307 0.000 1.181 41 A CA 1.430 53.606 52.037 0.232 0.000 0.627 41 A CB -0.994 18.126 19.000 0.201 0.000 0.818 41 A HN 0.382 nan 8.150 nan 0.000 0.445 42 W N -0.456 120.966 121.300 0.203 0.000 2.436 42 W HA 0.155 4.818 4.660 0.005 0.000 0.284 42 W C 2.538 179.029 176.519 -0.047 0.000 1.225 42 W CA 0.951 58.365 57.345 0.115 0.000 1.271 42 W CB -0.223 29.252 29.460 0.026 0.000 1.114 42 W HN 0.352 nan 8.180 nan 0.000 0.559 43 A N 0.451 123.381 122.820 0.184 0.000 2.216 43 A HA -0.045 4.279 4.320 0.006 0.000 0.214 43 A C 1.963 179.560 177.584 0.022 0.000 1.160 43 A CA 1.477 53.546 52.037 0.055 0.000 0.725 43 A CB -1.154 17.863 19.000 0.029 0.000 0.784 43 A HN 0.248 nan 8.150 nan 0.000 0.472 44 V N -2.325 117.633 119.914 0.073 0.000 2.594 44 V HA -0.175 3.948 4.120 0.006 0.000 0.253 44 V C 1.968 178.042 176.094 -0.033 0.000 1.069 44 V CA 1.832 64.185 62.300 0.089 0.000 1.082 44 V CB -0.924 31.029 31.823 0.218 0.000 0.680 44 V HN 0.453 nan 8.190 nan 0.000 0.469 45 L N -0.149 120.959 121.223 -0.192 0.000 2.353 45 L HA -0.087 4.256 4.340 0.006 0.000 0.220 45 L C 2.434 179.108 176.870 -0.326 0.000 1.133 45 L CA 1.478 56.050 54.840 -0.446 0.000 0.798 45 L CB -0.406 41.352 42.059 -0.501 0.000 0.922 45 L HN 0.457 nan 8.230 nan 0.000 0.445 46 Q N -0.771 118.920 119.800 -0.182 0.000 2.172 46 Q HA 0.150 4.493 4.340 0.006 0.000 0.217 46 Q C -0.141 175.802 176.000 -0.094 0.000 0.832 46 Q CA -0.196 55.526 55.803 -0.136 0.000 1.010 46 Q CB 0.630 29.307 28.738 -0.102 0.000 1.133 46 Q HN 0.437 nan 8.270 nan 0.000 0.489 47 E N 0.712 120.863 120.200 -0.081 0.000 2.408 47 E HA -0.008 4.345 4.350 0.006 0.000 0.259 47 E C 0.849 177.425 176.600 -0.039 0.000 1.110 47 E CA 0.270 56.650 56.400 -0.033 0.000 0.929 47 E CB 0.816 30.525 29.700 0.015 0.000 0.971 47 E HN 0.202 nan 8.360 nan 0.000 0.438 48 S N 1.332 117.020 115.700 -0.019 0.000 2.442 48 S HA -0.169 4.304 4.470 0.006 0.000 0.236 48 S C 0.866 175.457 174.600 -0.014 0.000 1.007 48 S CA 1.166 59.353 58.200 -0.021 0.000 0.965 48 S CB -0.204 62.989 63.200 -0.012 0.000 0.773 48 S HN 0.469 nan 8.310 nan 0.000 0.504 49 N N 0.564 119.266 118.700 0.002 0.000 2.273 49 N HA 0.293 5.036 4.740 0.006 0.000 0.231 49 N C -1.277 174.238 175.510 0.009 0.000 1.134 49 N CA -0.197 52.863 53.050 0.015 0.000 0.856 49 N CB 1.118 39.629 38.487 0.039 0.000 1.068 49 N HN 0.162 nan 8.380 nan 0.000 0.510 50 V N 2.229 122.113 119.914 -0.051 0.000 2.383 50 V HA 0.322 4.445 4.120 0.006 0.000 0.275 50 V C -1.853 174.168 176.094 -0.122 0.000 1.036 50 V CA -1.792 60.424 62.300 -0.139 0.000 0.889 50 V CB 0.946 32.565 31.823 -0.340 0.000 0.985 50 V HN 0.047 nan 8.190 nan 0.000 0.459 51 P HA 0.112 nan 4.420 nan 0.000 0.270 51 P C 0.385 177.628 177.300 -0.094 0.000 1.227 51 P CA -0.210 62.858 63.100 -0.054 0.000 0.788 51 P CB 0.645 32.341 31.700 -0.005 0.000 0.926 52 D N -0.416 119.932 120.400 -0.088 0.000 2.178 52 D HA -0.055 4.588 4.640 0.006 0.000 0.201 52 D C 0.462 176.698 176.300 -0.107 0.000 0.980 52 D CA 1.417 55.341 54.000 -0.127 0.000 0.842 52 D CB -0.131 40.564 40.800 -0.175 0.000 0.948 52 D HN 0.080 nan 8.370 nan 0.000 0.472 53 L N 0.733 121.930 121.223 -0.044 0.000 2.376 53 L HA 0.367 4.710 4.340 0.006 0.000 0.275 53 L C -0.761 176.207 176.870 0.163 0.000 0.987 53 L CA -1.034 53.838 54.840 0.052 0.000 0.828 53 L CB 1.859 43.937 42.059 0.031 0.000 1.249 53 L HN -0.145 nan 8.230 nan 0.000 0.409 54 V N 1.807 121.849 119.914 0.213 0.000 3.046 54 V HA 0.675 4.799 4.120 0.006 0.000 0.316 54 V C -1.280 175.026 176.094 0.354 0.000 1.104 54 V CA -0.789 61.653 62.300 0.235 0.000 1.006 54 V CB 2.074 33.935 31.823 0.063 0.000 1.058 54 V HN 0.937 nan 8.190 nan 0.000 0.440 55 W N 2.132 123.419 121.300 -0.021 0.000 2.529 55 W HA 0.655 5.319 4.660 0.006 0.000 0.321 55 W C -0.929 175.453 176.519 -0.228 0.000 1.047 55 W CA -0.235 56.916 57.345 -0.323 0.000 1.216 55 W CB 1.966 31.038 29.460 -0.647 0.000 1.357 55 W HN 0.872 nan 8.180 nan 0.000 0.489 56 T N 5.282 119.325 114.554 -0.852 0.000 2.824 56 T HA 0.363 4.717 4.350 0.006 0.000 0.280 56 T C 0.985 175.193 174.700 -0.820 0.000 0.995 56 T CA -0.460 61.272 62.100 -0.613 0.000 1.009 56 T CB 1.141 69.712 68.868 -0.494 0.000 0.955 56 T HN 0.629 nan 8.240 nan 0.000 0.452 57 R N 2.033 122.359 120.500 -0.290 0.000 2.299 57 R HA 0.171 4.515 4.340 0.006 0.000 0.197 57 R C 0.659 176.876 176.300 -0.138 0.000 0.971 57 R CA -0.112 55.923 56.100 -0.109 0.000 1.030 57 R CB -0.330 29.997 30.300 0.045 0.000 0.932 57 R HN 0.549 nan 8.270 nan 0.000 0.477 58 C N 1.678 120.862 119.300 -0.193 0.000 2.649 58 C HA 0.112 4.576 4.460 0.006 0.000 0.377 58 C C 0.889 175.854 174.990 -0.042 0.000 1.321 58 C CA -0.765 58.189 59.018 -0.107 0.000 2.368 58 C CB 0.332 28.006 27.740 -0.110 0.000 2.597 58 C HN 0.627 nan 8.230 nan 0.000 0.678 59 N N 0.699 119.418 118.700 0.032 0.000 2.727 59 N HA -0.205 4.539 4.740 0.006 0.000 0.249 59 N C 0.878 176.439 175.510 0.086 0.000 1.048 59 N CA 1.533 54.642 53.050 0.098 0.000 0.714 59 N CB -1.294 37.319 38.487 0.210 0.000 0.959 59 N HN 1.418 nan 8.380 nan 0.000 0.544 60 G N -1.589 107.238 108.800 0.045 0.000 2.225 60 G HA2 0.009 3.973 3.960 0.006 0.000 0.254 60 G HA3 0.009 3.973 3.960 0.006 0.000 0.254 60 G C 0.525 175.451 174.900 0.044 0.000 0.988 60 G CA 0.772 45.904 45.100 0.054 0.000 0.625 60 G HN 1.678 nan 8.290 nan 0.000 0.527 61 G N -0.817 107.934 108.800 -0.082 0.000 3.019 61 G HA2 0.544 4.508 3.960 0.006 0.000 0.686 61 G HA3 0.544 4.508 3.960 0.006 0.000 0.686 61 G C -0.502 173.919 174.900 -0.798 0.000 1.056 61 G CA 0.661 45.514 45.100 -0.410 0.000 0.774 61 G HN 2.906 nan 8.290 nan 0.000 0.583 62 H N -1.821 116.222 119.070 -1.712 0.000 3.024 62 H HA 0.621 5.181 4.556 0.006 0.000 0.324 62 H C -0.628 174.037 175.328 -1.104 0.000 1.347 62 H CA -1.576 53.735 56.048 -1.229 0.000 1.182 62 H CB 0.022 29.525 29.762 -0.432 0.000 1.889 62 H HN 0.723 nan 8.280 nan 0.000 0.528 63 W N 1.163 122.398 121.300 -0.108 0.000 2.161 63 W HA 0.583 5.247 4.660 0.006 0.000 0.344 63 W C -0.181 176.400 176.519 0.103 0.000 1.262 63 W CA -0.483 56.923 57.345 0.102 0.000 1.270 63 W CB 0.732 30.344 29.460 0.254 0.000 1.126 63 W HN 0.447 nan 8.180 nan 0.000 0.598 64 I N 2.503 123.268 120.570 0.326 0.000 2.534 64 I HA 0.327 4.501 4.170 0.006 0.000 0.286 64 I C -0.300 175.878 176.117 0.101 0.000 1.094 64 I CA -1.136 60.264 61.300 0.166 0.000 1.055 64 I CB 1.343 39.364 38.000 0.035 0.000 1.225 64 I HN 0.448 nan 8.210 nan 0.000 0.435 65 A N 3.385 126.232 122.820 0.044 0.000 2.362 65 A HA 0.471 4.794 4.320 0.006 0.000 0.276 65 A C 0.987 178.528 177.584 -0.071 0.000 1.153 65 A CA -0.047 51.977 52.037 -0.022 0.000 0.813 65 A CB 0.150 19.113 19.000 -0.062 0.000 1.081 65 A HN 0.852 nan 8.150 nan 0.000 0.507 66 T N -0.155 114.331 114.554 -0.113 0.000 3.069 66 T HA 0.254 4.607 4.350 0.006 0.000 0.252 66 T C 0.576 175.197 174.700 -0.131 0.000 1.053 66 T CA -0.107 61.907 62.100 -0.144 0.000 0.964 66 T CB 0.063 68.806 68.868 -0.209 0.000 1.005 66 T HN 0.541 nan 8.240 nan 0.000 0.532 67 R N 0.129 120.551 120.500 -0.131 0.000 2.750 67 R HA 0.586 4.929 4.340 0.006 0.000 0.281 67 R C 1.441 177.668 176.300 -0.122 0.000 0.972 67 R CA -0.368 55.656 56.100 -0.127 0.000 0.912 67 R CB 1.147 31.362 30.300 -0.142 0.000 1.187 67 R HN 0.189 nan 8.270 nan 0.000 0.464 68 G N 0.996 109.732 108.800 -0.107 0.000 2.469 68 G HA2 -0.359 3.604 3.960 0.006 0.000 0.219 68 G HA3 -0.359 3.604 3.960 0.006 0.000 0.219 68 G C 1.125 175.954 174.900 -0.117 0.000 1.150 68 G CA 1.113 46.150 45.100 -0.105 0.000 0.763 68 G HN 0.538 nan 8.290 nan 0.000 0.561 69 Q N -0.048 119.682 119.800 -0.117 0.000 2.050 69 Q HA -0.042 4.302 4.340 0.006 0.000 0.202 69 Q C 2.352 178.279 176.000 -0.122 0.000 0.980 69 Q CA 1.316 57.056 55.803 -0.106 0.000 0.840 69 Q CB -0.480 28.196 28.738 -0.104 0.000 0.898 69 Q HN 0.372 nan 8.270 nan 0.000 0.424 70 L N -0.199 120.899 121.223 -0.208 0.000 2.093 70 L HA -0.048 4.295 4.340 0.006 0.000 0.208 70 L C 2.280 179.116 176.870 -0.056 0.000 1.085 70 L CA 1.285 56.002 54.840 -0.205 0.000 0.755 70 L CB -0.520 41.339 42.059 -0.332 0.000 0.904 70 L HN 0.294 nan 8.230 nan 0.000 0.435 71 I N -0.996 119.511 120.570 -0.105 0.000 2.179 71 I HA -0.317 3.857 4.170 0.006 0.000 0.242 71 I C 2.661 178.750 176.117 -0.047 0.000 1.088 71 I CA 1.224 62.458 61.300 -0.110 0.000 1.357 71 I CB -0.251 37.725 38.000 -0.040 0.000 1.051 71 I HN 0.185 nan 8.210 nan 0.000 0.409 72 R N 0.551 121.000 120.500 -0.085 0.000 2.070 72 R HA -0.179 4.165 4.340 0.006 0.000 0.233 72 R C 2.251 178.603 176.300 0.087 0.000 1.137 72 R CA 1.595 57.581 56.100 -0.189 0.000 0.945 72 R CB -0.354 29.700 30.300 -0.410 0.000 0.845 72 R HN 0.408 nan 8.270 nan 0.000 0.430 73 E N 0.242 120.501 120.200 0.098 0.000 2.085 73 E HA -0.221 4.133 4.350 0.006 0.000 0.194 73 E C 2.013 178.715 176.600 0.171 0.000 0.994 73 E CA 1.360 57.891 56.400 0.219 0.000 0.801 73 E CB -0.116 29.798 29.700 0.357 0.000 0.743 73 E HN 0.392 nan 8.360 nan 0.000 0.453 74 A N 0.295 123.068 122.820 -0.079 0.000 1.929 74 A HA -0.153 4.170 4.320 0.006 0.000 0.216 74 A C 1.749 179.163 177.584 -0.284 0.000 1.176 74 A CA 1.012 52.666 52.037 -0.638 0.000 0.628 74 A CB -0.604 17.515 19.000 -1.469 0.000 0.816 74 A HN 0.248 nan 8.150 nan 0.000 0.444 75 Y N 0.446 120.746 120.300 -0.000 0.000 2.421 75 Y HA -0.094 4.459 4.550 0.005 0.000 0.292 75 Y C 2.302 178.347 175.900 0.242 0.000 1.136 75 Y CA 1.364 59.553 58.100 0.148 0.000 1.255 75 Y CB -0.241 38.350 38.460 0.218 0.000 0.991 75 Y HN 0.473 nan 8.280 nan 0.000 0.552 76 E N -0.803 119.625 120.200 0.379 0.000 2.158 76 E HA -0.126 4.227 4.350 0.006 0.000 0.191 76 E C 0.363 177.098 176.600 0.225 0.000 0.982 76 E CA 0.740 57.323 56.400 0.305 0.000 0.823 76 E CB 0.091 29.951 29.700 0.267 0.000 0.766 76 E HN 0.136 nan 8.360 nan 0.000 0.468 77 D N 0.120 120.650 120.400 0.217 0.000 2.564 77 D HA -0.014 4.629 4.640 0.006 0.000 0.226 77 D C 0.388 176.764 176.300 0.126 0.000 1.149 77 D CA -0.436 53.627 54.000 0.103 0.000 0.994 77 D CB -0.118 40.827 40.800 0.241 0.000 1.029 77 D HN 0.173 nan 8.370 nan 0.000 0.517 78 Y N 1.080 121.467 120.300 0.146 0.000 2.497 78 Y HA 0.065 4.619 4.550 0.006 0.000 0.292 78 Y C 1.837 177.738 175.900 0.001 0.000 1.137 78 Y CA 0.354 58.526 58.100 0.120 0.000 1.285 78 Y CB -0.345 38.195 38.460 0.134 0.000 0.991 78 Y HN 0.079 nan 8.280 nan 0.000 0.556 79 R N -0.174 120.124 120.500 -0.337 0.000 2.090 79 R HA -0.062 4.281 4.340 0.006 0.000 0.228 79 R C 1.402 177.427 176.300 -0.458 0.000 1.110 79 R CA 1.801 57.688 56.100 -0.355 0.000 0.973 79 R CB -0.410 29.579 30.300 -0.519 0.000 0.869 79 R HN 0.570 nan 8.270 nan 0.000 0.440 80 H N -1.660 117.163 119.070 -0.412 0.000 2.451 80 H HA 0.103 4.662 4.556 0.006 0.000 0.294 80 H C -0.160 174.736 175.328 -0.721 0.000 1.028 80 H CA 0.365 55.988 56.048 -0.708 0.000 1.349 80 H CB 0.389 29.357 29.762 -1.325 0.000 1.444 80 H HN -0.029 nan 8.280 nan 0.000 0.538 81 F N 1.197 121.129 119.950 -0.031 0.000 2.310 81 F HA 0.290 4.820 4.527 0.005 0.000 0.365 81 F C 0.228 176.048 175.800 0.033 0.000 1.080 81 F CA -0.749 57.233 58.000 -0.030 0.000 1.187 81 F CB 1.113 40.047 39.000 -0.110 0.000 1.465 81 F HN -0.095 nan 8.300 nan 0.000 0.496 82 S N 0.851 116.640 115.700 0.149 0.000 2.562 82 S HA 0.221 4.694 4.470 0.006 0.000 0.275 82 S C 1.093 175.756 174.600 0.106 0.000 1.281 82 S CA -0.524 57.757 58.200 0.135 0.000 1.045 82 S CB 1.042 64.291 63.200 0.083 0.000 0.962 82 S HN 0.494 nan 8.310 nan 0.000 0.503 83 S N 3.154 118.908 115.700 0.089 0.000 2.660 83 S HA 0.019 4.493 4.470 0.006 0.000 0.223 83 S C 1.499 176.099 174.600 0.000 0.000 0.963 83 S CA 0.131 58.330 58.200 -0.002 0.000 0.932 83 S CB -0.246 62.882 63.200 -0.120 0.000 0.775 83 S HN 0.872 nan 8.310 nan 0.000 0.531 84 E N 0.296 120.520 120.200 0.040 0.000 2.118 84 E HA -0.166 4.187 4.350 0.006 0.000 0.195 84 E C 0.490 177.097 176.600 0.012 0.000 0.992 84 E CA 0.782 57.207 56.400 0.042 0.000 0.804 84 E CB 0.113 29.842 29.700 0.047 0.000 0.741 84 E HN 0.442 nan 8.360 nan 0.000 0.458 85 C N 1.438 120.731 119.300 -0.011 0.000 3.002 85 C HA 0.437 4.900 4.460 0.006 0.000 0.248 85 C C -2.112 172.834 174.990 -0.074 0.000 1.153 85 C CA -1.574 57.418 59.018 -0.045 0.000 1.502 85 C CB 0.953 28.695 27.740 0.004 0.000 1.805 85 C HN 0.244 nan 8.230 nan 0.000 0.450 86 P HA 0.186 nan 4.420 nan 0.000 0.261 86 P C -0.118 177.219 177.300 0.063 0.000 1.268 86 P CA 0.309 63.334 63.100 -0.126 0.000 0.833 86 P CB 0.262 31.780 31.700 -0.304 0.000 1.231 87 F N 0.469 120.221 119.950 -0.330 0.000 2.522 87 F HA 0.390 4.920 4.527 0.005 0.000 0.324 87 F C 0.766 176.463 175.800 -0.172 0.000 1.077 87 F CA -2.303 55.546 58.000 -0.252 0.000 0.944 87 F CB 1.069 39.868 39.000 -0.335 0.000 1.175 87 F HN -0.299 nan 8.300 nan 0.000 0.468 88 I N 5.034 125.592 120.570 -0.022 0.000 2.385 88 I HA 0.309 4.483 4.170 0.006 0.000 0.294 88 I C -2.009 174.198 176.117 0.150 0.000 0.988 88 I CA -2.926 58.353 61.300 -0.035 0.000 1.265 88 I CB 0.965 38.805 38.000 -0.266 0.000 1.388 88 I HN 0.282 nan 8.210 nan 0.000 0.480 89 P HA 0.248 nan 4.420 nan 0.000 0.277 89 P C 0.704 178.030 177.300 0.042 0.000 1.271 89 P CA -0.555 62.590 63.100 0.075 0.000 0.795 89 P CB 1.118 32.857 31.700 0.065 0.000 1.101 90 R N 0.846 121.370 120.500 0.039 0.000 2.105 90 R HA -0.164 4.179 4.340 0.006 0.000 0.239 90 R C 1.939 178.254 176.300 0.025 0.000 1.135 90 R CA 1.760 57.881 56.100 0.035 0.000 0.967 90 R CB -0.210 30.122 30.300 0.055 0.000 0.861 90 R HN 0.530 nan 8.270 nan 0.000 0.442 91 E N -0.020 120.200 120.200 0.034 0.000 2.347 91 E HA -0.100 4.253 4.350 0.006 0.000 0.196 91 E C 1.499 178.117 176.600 0.030 0.000 1.008 91 E CA 1.070 57.492 56.400 0.037 0.000 0.852 91 E CB -0.074 29.655 29.700 0.048 0.000 0.783 91 E HN 0.419 nan 8.360 nan 0.000 0.505 92 A N 1.939 124.759 122.820 -0.000 0.000 1.854 92 A HA 0.105 4.429 4.320 0.006 0.000 0.214 92 A C 2.558 179.930 177.584 -0.353 0.000 1.192 92 A CA 1.456 53.394 52.037 -0.166 0.000 0.611 92 A CB -1.246 17.699 19.000 -0.093 0.000 0.832 92 A HN 0.387 nan 8.150 nan 0.000 0.442 93 G N -0.312 108.390 108.800 -0.164 0.000 2.442 93 G HA2 -0.225 3.739 3.960 0.006 0.000 0.219 93 G HA3 -0.225 3.739 3.960 0.006 0.000 0.219 93 G C 1.410 176.258 174.900 -0.088 0.000 1.141 93 G CA 1.094 46.102 45.100 -0.154 0.000 0.763 93 G HN 0.662 nan 8.290 nan 0.000 0.554 94 E N 0.392 120.570 120.200 -0.036 0.000 2.072 94 E HA 0.042 4.395 4.350 0.006 0.000 0.190 94 E C 2.887 179.496 176.600 0.016 0.000 0.982 94 E CA 0.670 57.072 56.400 0.003 0.000 0.803 94 E CB -0.143 29.570 29.700 0.021 0.000 0.755 94 E HN 0.412 nan 8.360 nan 0.000 0.453 95 A N 0.872 123.708 122.820 0.027 0.000 2.015 95 A HA -0.140 4.184 4.320 0.006 0.000 0.219 95 A C 0.806 178.443 177.584 0.087 0.000 1.163 95 A CA 0.358 52.447 52.037 0.088 0.000 0.646 95 A CB -0.497 18.632 19.000 0.215 0.000 0.806 95 A HN 0.313 nan 8.150 nan 0.000 0.448 96 Y N 2.251 122.445 120.300 -0.176 0.000 2.677 96 Y HA 0.205 4.759 4.550 0.008 0.000 0.335 96 Y C 0.316 176.097 175.900 -0.199 0.000 1.162 96 Y CA -0.070 57.867 58.100 -0.272 0.000 1.483 96 Y CB 0.472 38.571 38.460 -0.601 0.000 1.209 96 Y HN 0.447 nan 8.280 nan 0.000 0.528 97 D N 4.145 124.317 120.400 -0.381 0.000 2.636 97 D HA 0.022 4.666 4.640 0.006 0.000 0.270 97 D C -0.581 175.618 176.300 -0.168 0.000 1.430 97 D CA -0.367 53.541 54.000 -0.155 0.000 0.796 97 D CB -0.999 39.757 40.800 -0.072 0.000 1.117 97 D HN 0.184 nan 8.370 nan 0.000 0.480 98 F N 1.221 120.992 119.950 -0.298 0.000 2.589 98 F HA 0.224 4.754 4.527 0.004 0.000 0.352 98 F C 1.266 177.037 175.800 -0.049 0.000 1.168 98 F CA -0.089 57.803 58.000 -0.180 0.000 1.353 98 F CB 0.442 39.239 39.000 -0.337 0.000 1.116 98 F HN -0.095 nan 8.300 nan 0.000 0.608 99 I N 4.724 125.401 120.570 0.179 0.000 2.441 99 I HA 0.235 4.408 4.170 0.006 0.000 0.295 99 I C -1.685 174.497 176.117 0.109 0.000 0.994 99 I CA -1.740 59.581 61.300 0.036 0.000 1.144 99 I CB 2.493 40.371 38.000 -0.204 0.000 1.314 99 I HN 0.375 nan 8.210 nan 0.000 0.445 100 P HA 0.104 nan 4.420 nan 0.000 0.268 100 P C 0.892 178.360 177.300 0.281 0.000 1.329 100 P CA 0.226 63.418 63.100 0.154 0.000 0.899 100 P CB 0.298 32.097 31.700 0.165 0.000 1.378 101 T N 0.045 114.797 114.554 0.329 0.000 2.915 101 T HA -0.085 4.269 4.350 0.006 0.000 0.269 101 T C 1.803 176.674 174.700 0.286 0.000 1.071 101 T CA 1.839 64.160 62.100 0.368 0.000 1.132 101 T CB -0.532 68.564 68.868 0.380 0.000 0.878 101 T HN 0.288 nan 8.240 nan 0.000 0.479 102 S N 0.301 116.219 115.700 0.365 0.000 2.607 102 S HA 0.233 4.706 4.470 0.006 0.000 0.224 102 S C 0.553 175.250 174.600 0.161 0.000 0.969 102 S CA -0.154 58.200 58.200 0.257 0.000 0.927 102 S CB -0.601 62.775 63.200 0.293 0.000 0.772 102 S HN 0.369 nan 8.310 nan 0.000 0.533 103 M N 2.111 121.832 119.600 0.200 0.000 2.472 103 M HA 0.470 4.953 4.480 0.006 0.000 0.331 103 M C -0.844 175.597 176.300 0.235 0.000 1.170 103 M CA -0.613 54.790 55.300 0.171 0.000 1.009 103 M CB 1.351 34.028 32.600 0.128 0.000 1.672 103 M HN 0.029 nan 8.290 nan 0.000 0.453 104 D N 2.245 122.733 120.400 0.146 0.000 2.268 104 D HA 0.448 5.091 4.640 0.006 0.000 0.249 104 D C -2.451 173.801 176.300 -0.079 0.000 1.008 104 D CA -1.272 52.786 54.000 0.097 0.000 0.939 104 D CB 1.081 41.951 40.800 0.118 0.000 1.170 104 D HN 0.171 nan 8.370 nan 0.000 0.468 105 P HA 0.045 nan 4.420 nan 0.000 0.267 105 P C -1.800 175.379 177.300 -0.200 0.000 1.200 105 P CA -0.704 62.153 63.100 -0.405 0.000 0.772 105 P CB 0.243 31.412 31.700 -0.885 0.000 0.855 106 P HA 0.004 nan 4.420 nan 0.000 0.239 106 P C 0.752 178.039 177.300 -0.022 0.000 1.188 106 P CA 0.881 63.948 63.100 -0.056 0.000 0.794 106 P CB 0.338 32.037 31.700 -0.002 0.000 0.937 107 E N 0.706 120.918 120.200 0.020 0.000 2.118 107 E HA -0.210 4.144 4.350 0.006 0.000 0.195 107 E C 2.292 178.977 176.600 0.142 0.000 0.992 107 E CA 1.098 57.548 56.400 0.084 0.000 0.804 107 E CB -0.765 28.999 29.700 0.107 0.000 0.741 107 E HN 0.327 nan 8.360 nan 0.000 0.458 108 Q N 0.767 120.615 119.800 0.080 0.000 2.135 108 Q HA -0.233 4.111 4.340 0.006 0.000 0.204 108 Q C 1.946 177.999 176.000 0.089 0.000 0.981 108 Q CA 1.338 57.199 55.803 0.097 0.000 0.856 108 Q CB 0.051 28.752 28.738 -0.062 0.000 0.902 108 Q HN 0.260 nan 8.270 nan 0.000 0.425 109 R N 0.316 120.815 120.500 -0.002 0.000 2.083 109 R HA -0.213 4.131 4.340 0.006 0.000 0.237 109 R C 2.540 178.816 176.300 -0.040 0.000 1.137 109 R CA 1.923 58.000 56.100 -0.039 0.000 0.951 109 R CB -0.564 29.696 30.300 -0.066 0.000 0.851 109 R HN 0.566 nan 8.270 nan 0.000 0.434 110 Q N 0.032 119.778 119.800 -0.089 0.000 2.135 110 Q HA -0.165 4.178 4.340 0.006 0.000 0.204 110 Q C 1.662 177.516 176.000 -0.245 0.000 0.981 110 Q CA 1.672 57.343 55.803 -0.219 0.000 0.856 110 Q CB -0.404 28.118 28.738 -0.359 0.000 0.902 110 Q HN 0.255 nan 8.270 nan 0.000 0.425 111 F N 1.011 120.954 119.950 -0.011 0.000 2.234 111 F HA 0.078 4.609 4.527 0.007 0.000 0.296 111 F C 2.709 178.509 175.800 0.001 0.000 1.089 111 F CA 1.118 59.120 58.000 0.004 0.000 1.343 111 F CB -0.241 38.772 39.000 0.022 0.000 1.040 111 F HN 0.026 nan 8.300 nan 0.000 0.498 112 R N 0.717 121.311 120.500 0.157 0.000 2.096 112 R HA -0.143 4.200 4.340 0.006 0.000 0.235 112 R C 2.286 178.607 176.300 0.034 0.000 1.127 112 R CA 1.290 57.432 56.100 0.070 0.000 0.968 112 R CB -0.445 29.852 30.300 -0.005 0.000 0.861 112 R HN 0.238 nan 8.270 nan 0.000 0.440 113 A N 1.108 123.931 122.820 0.006 0.000 1.902 113 A HA -0.170 4.153 4.320 0.006 0.000 0.217 113 A C 2.019 179.603 177.584 0.000 0.000 1.181 113 A CA 1.298 53.328 52.037 -0.012 0.000 0.623 113 A CB -0.590 18.388 19.000 -0.038 0.000 0.818 113 A HN 0.392 nan 8.150 nan 0.000 0.443 114 L N -0.356 120.873 121.223 0.009 0.000 2.093 114 L HA 0.036 4.379 4.340 0.006 0.000 0.208 114 L C 2.629 179.524 176.870 0.041 0.000 1.085 114 L CA 1.981 56.832 54.840 0.019 0.000 0.755 114 L CB -0.865 41.213 42.059 0.031 0.000 0.904 114 L HN 0.337 nan 8.230 nan 0.000 0.435 115 A N -0.355 122.505 122.820 0.066 0.000 1.940 115 A HA -0.273 4.050 4.320 0.006 0.000 0.219 115 A C 2.184 179.797 177.584 0.050 0.000 1.176 115 A CA 1.846 53.925 52.037 0.070 0.000 0.631 115 A CB -0.943 18.110 19.000 0.088 0.000 0.814 115 A HN 0.597 nan 8.150 nan 0.000 0.446 116 N N -0.247 118.474 118.700 0.036 0.000 2.309 116 N HA -0.145 4.598 4.740 0.006 0.000 0.182 116 N C 1.792 177.314 175.510 0.021 0.000 1.018 116 N CA 1.629 54.696 53.050 0.028 0.000 0.876 116 N CB -0.332 38.164 38.487 0.016 0.000 0.972 116 N HN 0.648 nan 8.380 nan 0.000 0.434 117 Q N -0.616 119.192 119.800 0.014 0.000 2.167 117 Q HA -0.066 4.278 4.340 0.006 0.000 0.202 117 Q C 1.883 177.888 176.000 0.008 0.000 0.970 117 Q CA 1.588 57.394 55.803 0.005 0.000 0.855 117 Q CB 0.086 28.823 28.738 -0.001 0.000 0.911 117 Q HN 0.470 nan 8.270 nan 0.000 0.438 118 V N -2.584 117.341 119.914 0.018 0.000 3.354 118 V HA 0.056 4.180 4.120 0.006 0.000 0.258 118 V C 1.472 177.577 176.094 0.019 0.000 1.159 118 V CA 0.670 62.978 62.300 0.012 0.000 1.125 118 V CB 0.394 32.226 31.823 0.014 0.000 0.774 118 V HN 0.241 nan 8.190 nan 0.000 0.464 119 V N -2.268 117.669 119.914 0.039 0.000 3.330 119 V HA 0.712 4.835 4.120 0.006 0.000 0.309 119 V C 1.075 177.201 176.094 0.055 0.000 1.481 119 V CA 0.165 62.496 62.300 0.052 0.000 1.068 119 V CB -0.655 31.220 31.823 0.085 0.000 0.935 119 V HN 0.429 nan 8.190 nan 0.000 0.453 120 G N -0.117 108.712 108.800 0.048 0.000 2.611 120 G HA2 0.313 4.276 3.960 0.006 0.000 0.273 120 G HA3 0.313 4.276 3.960 0.006 0.000 0.273 120 G C 0.512 175.432 174.900 0.034 0.000 1.305 120 G CA 0.122 45.260 45.100 0.062 0.000 1.010 120 G HN 0.203 nan 8.290 nan 0.000 0.509 121 M N 0.622 120.201 119.600 -0.035 0.000 2.108 121 M HA 0.001 4.485 4.480 0.006 0.000 0.261 121 M C -0.304 175.963 176.300 -0.055 0.000 1.066 121 M CA 1.691 56.932 55.300 -0.099 0.000 1.107 121 M CB -0.747 31.684 32.600 -0.280 0.000 1.356 121 M HN 0.318 nan 8.290 nan 0.000 0.406 122 P HA -0.121 nan 4.420 nan 0.000 0.218 122 P C 1.881 179.170 177.300 -0.019 0.000 1.149 122 P CA 1.072 64.153 63.100 -0.032 0.000 0.817 122 P CB -0.244 31.438 31.700 -0.030 0.000 0.785 123 V N -0.320 119.587 119.914 -0.011 0.000 2.379 123 V HA -0.173 3.950 4.120 0.006 0.000 0.245 123 V C 2.259 178.352 176.094 -0.002 0.000 1.044 123 V CA 1.627 63.922 62.300 -0.008 0.000 1.036 123 V CB -0.854 30.965 31.823 -0.006 0.000 0.664 123 V HN -0.107 nan 8.190 nan 0.000 0.453 124 V N 0.444 120.364 119.914 0.009 0.000 2.287 124 V HA -0.264 3.860 4.120 0.006 0.000 0.248 124 V C 2.388 178.491 176.094 0.015 0.000 1.053 124 V CA 2.452 64.765 62.300 0.021 0.000 1.027 124 V CB -0.907 30.941 31.823 0.042 0.000 0.646 124 V HN 0.578 nan 8.190 nan 0.000 0.447 125 D N 0.089 120.491 120.400 0.004 0.000 2.104 125 D HA -0.221 4.423 4.640 0.006 0.000 0.194 125 D C 2.186 178.489 176.300 0.005 0.000 0.994 125 D CA 1.763 55.764 54.000 0.003 0.000 0.830 125 D CB -0.327 40.468 40.800 -0.009 0.000 0.959 125 D HN 0.505 nan 8.370 nan 0.000 0.452 126 K N 0.723 121.122 120.400 -0.001 0.000 2.103 126 K HA -0.134 4.190 4.320 0.006 0.000 0.207 126 K C 1.948 178.549 176.600 0.000 0.000 1.048 126 K CA 0.914 57.199 56.287 -0.003 0.000 0.930 126 K CB -0.150 32.343 32.500 -0.011 0.000 0.716 126 K HN 0.180 nan 8.250 nan 0.000 0.444 127 L N 0.797 122.021 121.223 0.003 0.000 2.567 127 L HA 0.043 4.386 4.340 0.006 0.000 0.225 127 L C 2.346 179.231 176.870 0.025 0.000 1.119 127 L CA 0.087 54.930 54.840 0.005 0.000 0.871 127 L CB -0.138 41.918 42.059 -0.006 0.000 1.036 127 L HN 0.356 nan 8.230 nan 0.000 0.459 128 E N 1.020 121.239 120.200 0.032 0.000 2.097 128 E HA -0.275 4.078 4.350 0.006 0.000 0.196 128 E C 1.462 178.097 176.600 0.058 0.000 1.000 128 E CA 1.617 58.047 56.400 0.050 0.000 0.804 128 E CB 0.161 29.886 29.700 0.042 0.000 0.740 128 E HN 0.490 nan 8.360 nan 0.000 0.454 129 N N 0.544 119.270 118.700 0.043 0.000 2.142 129 N HA -0.110 4.633 4.740 0.006 0.000 0.186 129 N C 1.904 177.449 175.510 0.058 0.000 1.023 129 N CA 1.019 54.096 53.050 0.046 0.000 0.852 129 N CB -0.348 38.158 38.487 0.032 0.000 0.998 129 N HN 0.199 nan 8.380 nan 0.000 0.424 130 R N 0.461 120.991 120.500 0.050 0.000 2.081 130 R HA 0.072 4.415 4.340 0.006 0.000 0.235 130 R C 2.261 178.619 176.300 0.097 0.000 1.131 130 R CA 0.774 56.907 56.100 0.055 0.000 0.960 130 R CB -0.268 30.048 30.300 0.026 0.000 0.856 130 R HN 0.228 nan 8.270 nan 0.000 0.436 131 I N 0.486 121.122 120.570 0.110 0.000 2.179 131 I HA -0.326 3.848 4.170 0.006 0.000 0.242 131 I C 2.623 178.921 176.117 0.301 0.000 1.088 131 I CA 1.284 62.710 61.300 0.210 0.000 1.357 131 I CB -0.269 37.831 38.000 0.167 0.000 1.051 131 I HN 0.171 nan 8.210 nan 0.000 0.409 132 Q N 1.358 121.270 119.800 0.187 0.000 2.045 132 Q HA -0.310 4.034 4.340 0.006 0.000 0.206 132 Q C 2.019 178.092 176.000 0.122 0.000 0.991 132 Q CA 2.461 58.349 55.803 0.142 0.000 0.851 132 Q CB -0.321 28.473 28.738 0.094 0.000 0.911 132 Q HN 0.548 nan 8.270 nan 0.000 0.418 133 E N -0.800 119.464 120.200 0.107 0.000 2.150 133 E HA -0.165 4.189 4.350 0.006 0.000 0.193 133 E C 2.013 178.675 176.600 0.104 0.000 0.985 133 E CA 0.847 57.297 56.400 0.084 0.000 0.814 133 E CB -0.241 29.496 29.700 0.063 0.000 0.752 133 E HN 0.507 nan 8.360 nan 0.000 0.466 134 L N 0.302 121.621 121.223 0.159 0.000 2.044 134 L HA -0.094 4.249 4.340 0.006 0.000 0.205 134 L C 2.596 179.581 176.870 0.192 0.000 1.075 134 L CA 1.208 56.163 54.840 0.192 0.000 0.747 134 L CB -0.484 41.743 42.059 0.280 0.000 0.903 134 L HN 0.300 nan 8.230 nan 0.000 0.435 135 A N -0.699 122.236 122.820 0.191 0.000 1.873 135 A HA -0.294 4.030 4.320 0.006 0.000 0.218 135 A C 2.357 179.977 177.584 0.060 0.000 1.193 135 A CA 2.102 54.120 52.037 -0.032 0.000 0.629 135 A CB -1.371 17.528 19.000 -0.169 0.000 0.826 135 A HN 0.618 nan 8.150 nan 0.000 0.447 136 C N -0.404 118.922 119.300 0.044 0.000 2.413 136 C HA -0.092 4.371 4.460 0.006 0.000 0.276 136 C C 3.502 178.500 174.990 0.014 0.000 1.248 136 C CA 1.540 60.565 59.018 0.012 0.000 1.742 136 C CB -1.227 26.522 27.740 0.014 0.000 2.017 136 C HN 0.814 nan 8.230 nan 0.000 0.481 137 S N 0.404 116.130 115.700 0.044 0.000 2.368 137 S HA -0.097 4.376 4.470 0.006 0.000 0.224 137 S C 1.783 176.414 174.600 0.051 0.000 1.029 137 S CA 1.133 59.356 58.200 0.040 0.000 0.988 137 S CB -0.456 62.772 63.200 0.046 0.000 0.838 137 S HN 0.344 nan 8.310 nan 0.000 0.462 138 L N 1.682 122.962 121.223 0.094 0.000 2.012 138 L HA 0.062 4.405 4.340 0.006 0.000 0.210 138 L C 2.493 179.416 176.870 0.089 0.000 1.073 138 L CA 1.510 56.430 54.840 0.134 0.000 0.748 138 L CB -1.297 40.911 42.059 0.249 0.000 0.891 138 L HN 0.422 nan 8.230 nan 0.000 0.431 139 I N -0.888 119.697 120.570 0.025 0.000 2.252 139 I HA -0.250 3.924 4.170 0.006 0.000 0.245 139 I C 2.476 178.464 176.117 -0.214 0.000 1.102 139 I CA 0.912 62.087 61.300 -0.209 0.000 1.385 139 I CB -0.166 37.632 38.000 -0.336 0.000 1.064 139 I HN 0.238 nan 8.210 nan 0.000 0.414 140 E N 1.223 121.351 120.200 -0.120 0.000 2.085 140 E HA -0.196 4.158 4.350 0.006 0.000 0.194 140 E C 2.143 178.720 176.600 -0.038 0.000 0.994 140 E CA 1.910 58.258 56.400 -0.086 0.000 0.801 140 E CB -0.203 29.466 29.700 -0.051 0.000 0.743 140 E HN 0.248 nan 8.360 nan 0.000 0.453 141 S N -0.255 115.442 115.700 -0.005 0.000 2.419 141 S HA -0.057 4.416 4.470 0.006 0.000 0.233 141 S C 1.795 176.424 174.600 0.048 0.000 1.016 141 S CA 1.046 59.261 58.200 0.024 0.000 0.974 141 S CB -0.203 63.021 63.200 0.040 0.000 0.786 141 S HN 0.275 nan 8.310 nan 0.000 0.492 142 L N 0.581 121.835 121.223 0.052 0.000 2.162 142 L HA 0.068 4.411 4.340 0.006 0.000 0.205 142 L C 2.602 179.624 176.870 0.253 0.000 1.086 142 L CA 0.563 55.497 54.840 0.156 0.000 0.778 142 L CB -0.419 41.753 42.059 0.188 0.000 0.928 142 L HN 0.213 nan 8.230 nan 0.000 0.446 143 R N 0.779 121.327 120.500 0.079 0.000 2.162 143 R HA -0.233 4.111 4.340 0.006 0.000 0.245 143 R C -0.503 175.974 176.300 0.295 0.000 1.129 143 R CA 2.485 58.653 56.100 0.113 0.000 0.940 143 R CB -1.379 28.861 30.300 -0.100 0.000 0.875 143 R HN 0.222 nan 8.270 nan 0.000 0.437 144 P HA -0.124 nan 4.420 nan 0.000 0.221 144 P C 0.573 177.907 177.300 0.057 0.000 1.145 144 P CA 1.413 64.570 63.100 0.096 0.000 0.795 144 P CB -0.086 31.641 31.700 0.045 0.000 0.775 145 Q N -1.573 118.254 119.800 0.045 0.000 2.311 145 Q HA 0.087 4.430 4.340 0.006 0.000 0.203 145 Q C 1.617 177.423 176.000 -0.323 0.000 0.954 145 Q CA 0.838 56.588 55.803 -0.089 0.000 0.885 145 Q CB -0.512 28.194 28.738 -0.055 0.000 0.963 145 Q HN 0.210 nan 8.270 nan 0.000 0.471 146 G N 1.556 109.975 108.800 -0.636 0.000 2.175 146 G HA2 -0.325 3.638 3.960 0.006 0.000 0.265 146 G HA3 -0.325 3.638 3.960 0.006 0.000 0.265 146 G C -0.022 173.975 174.900 -1.505 0.000 0.979 146 G CA 0.927 45.241 45.100 -1.310 0.000 0.663 146 G HN 0.484 nan 8.290 nan 0.000 0.533 147 Q N -1.783 117.201 119.800 -1.360 0.000 2.702 147 Q HA 0.632 4.975 4.340 0.006 0.000 0.289 147 Q C -0.409 175.403 176.000 -0.314 0.000 0.923 147 Q CA -0.741 54.581 55.803 -0.802 0.000 0.787 147 Q CB 1.648 30.179 28.738 -0.344 0.000 1.476 147 Q HN 1.466 nan 8.270 nan 0.000 0.402 148 C N -0.511 118.804 119.300 0.024 0.000 3.292 148 C HA 0.620 5.083 4.460 0.006 0.000 0.338 148 C C -1.698 173.422 174.990 0.216 0.000 1.323 148 C CA -0.799 58.352 59.018 0.223 0.000 1.232 148 C CB 1.473 29.500 27.740 0.478 0.000 1.517 148 C HN 0.892 nan 8.230 nan 0.000 0.470 149 N N 1.357 120.168 118.700 0.185 0.000 2.699 149 N HA 0.246 4.990 4.740 0.006 0.000 0.232 149 N C 0.196 175.823 175.510 0.195 0.000 1.027 149 N CA -0.301 52.844 53.050 0.159 0.000 0.920 149 N CB 0.916 39.460 38.487 0.094 0.000 1.148 149 N HN 0.781 nan 8.380 nan 0.000 0.509 150 F N 2.699 122.711 119.950 0.103 0.000 2.154 150 F HA -0.278 4.253 4.527 0.007 0.000 0.301 150 F C 2.495 178.339 175.800 0.073 0.000 1.087 150 F CA 1.877 59.930 58.000 0.087 0.000 1.274 150 F CB -0.060 38.921 39.000 -0.033 0.000 1.009 150 F HN 0.388 nan 8.300 nan 0.000 0.485 151 T N -1.979 112.614 114.554 0.065 0.000 2.674 151 T HA -0.239 4.114 4.350 0.006 0.000 0.265 151 T C 1.682 176.322 174.700 -0.099 0.000 1.039 151 T CA 1.749 63.822 62.100 -0.045 0.000 1.150 151 T CB -0.770 68.103 68.868 0.008 0.000 0.864 151 T HN 0.519 nan 8.240 nan 0.000 0.427 152 E N 1.091 121.271 120.200 -0.034 0.000 2.158 152 E HA -0.045 4.309 4.350 0.006 0.000 0.191 152 E C 1.701 178.283 176.600 -0.030 0.000 0.982 152 E CA 0.992 57.376 56.400 -0.026 0.000 0.823 152 E CB -0.056 29.651 29.700 0.010 0.000 0.766 152 E HN 0.538 nan 8.360 nan 0.000 0.468 153 D N -0.996 119.398 120.400 -0.011 0.000 2.348 153 D HA -0.019 4.624 4.640 0.006 0.000 0.211 153 D C 0.757 177.087 176.300 0.050 0.000 0.998 153 D CA 0.734 54.762 54.000 0.046 0.000 0.873 153 D CB 0.334 41.216 40.800 0.138 0.000 0.925 153 D HN 0.200 nan 8.370 nan 0.000 0.524 154 Y N -0.204 119.920 120.300 -0.293 0.000 3.189 154 Y HA 0.323 4.877 4.550 0.007 0.000 0.213 154 Y C 1.952 177.609 175.900 -0.406 0.000 1.032 154 Y CA 0.543 58.435 58.100 -0.346 0.000 1.482 154 Y CB -0.217 37.953 38.460 -0.483 0.000 1.460 154 Y HN -0.151 nan 8.280 nan 0.000 0.398 155 A N 0.911 123.332 122.820 -0.666 0.000 1.940 155 A HA -0.192 4.131 4.320 0.006 0.000 0.219 155 A C 1.812 179.292 177.584 -0.173 0.000 1.176 155 A CA 2.358 54.203 52.037 -0.320 0.000 0.631 155 A CB -0.592 18.255 19.000 -0.256 0.000 0.814 155 A HN 0.685 nan 8.150 nan 0.000 0.446 156 E N -0.727 119.370 120.200 -0.173 0.000 2.021 156 E HA -0.089 4.265 4.350 0.006 0.000 0.189 156 E C -0.501 176.034 176.600 -0.107 0.000 0.980 156 E CA 0.901 57.236 56.400 -0.108 0.000 0.803 156 E CB -0.669 28.985 29.700 -0.075 0.000 0.766 156 E HN 0.504 nan 8.360 nan 0.000 0.449 157 P HA -0.198 nan 4.420 nan 0.000 0.215 157 P C 1.408 178.651 177.300 -0.095 0.000 1.153 157 P CA 1.178 64.228 63.100 -0.084 0.000 0.853 157 P CB -0.087 31.578 31.700 -0.058 0.000 0.788 158 F N 3.492 123.212 119.950 -0.384 0.000 2.014 158 F HA -0.077 4.453 4.527 0.006 0.000 0.295 158 F C -0.787 174.910 175.800 -0.172 0.000 1.145 158 F CA 1.887 59.659 58.000 -0.380 0.000 1.178 158 F CB -2.124 36.375 39.000 -0.835 0.000 0.972 158 F HN -0.044 nan 8.300 nan 0.000 0.476 159 P HA -0.124 nan 4.420 nan 0.000 0.217 159 P C 2.250 179.439 177.300 -0.185 0.000 1.151 159 P CA 1.899 64.744 63.100 -0.425 0.000 0.828 159 P CB -0.225 31.346 31.700 -0.215 0.000 0.788 160 I N -0.102 120.398 120.570 -0.116 0.000 2.179 160 I HA -0.211 3.963 4.170 0.006 0.000 0.242 160 I C 2.792 178.914 176.117 0.007 0.000 1.088 160 I CA 1.527 62.811 61.300 -0.027 0.000 1.357 160 I CB -0.523 37.456 38.000 -0.034 0.000 1.051 160 I HN -0.124 nan 8.210 nan 0.000 0.409 161 R N 0.385 120.860 120.500 -0.042 0.000 2.115 161 R HA -0.080 4.263 4.340 0.006 0.000 0.230 161 R C 2.274 178.550 176.300 -0.040 0.000 1.111 161 R CA 1.001 57.087 56.100 -0.022 0.000 0.976 161 R CB -0.120 30.169 30.300 -0.019 0.000 0.870 161 R HN 0.293 nan 8.270 nan 0.000 0.445 162 I N 0.186 120.696 120.570 -0.100 0.000 2.179 162 I HA -0.275 3.899 4.170 0.006 0.000 0.242 162 I C 2.177 178.262 176.117 -0.055 0.000 1.088 162 I CA 1.399 62.636 61.300 -0.106 0.000 1.357 162 I CB -0.836 37.034 38.000 -0.217 0.000 1.051 162 I HN 0.076 nan 8.210 nan 0.000 0.409 163 F N 1.552 121.435 119.950 -0.112 0.000 2.146 163 F HA -0.214 4.315 4.527 0.004 0.000 0.298 163 F C 2.591 178.366 175.800 -0.043 0.000 1.096 163 F CA 1.459 59.415 58.000 -0.072 0.000 1.275 163 F CB -0.099 38.857 39.000 -0.073 0.000 1.008 163 F HN -0.083 nan 8.300 nan 0.000 0.480 164 M N -0.342 119.278 119.600 0.032 0.000 2.159 164 M HA -0.151 4.333 4.480 0.006 0.000 0.263 164 M C 2.278 178.511 176.300 -0.111 0.000 1.063 164 M CA 1.240 56.526 55.300 -0.024 0.000 1.110 164 M CB -1.578 31.052 32.600 0.051 0.000 1.374 164 M HN 0.366 nan 8.290 nan 0.000 0.411 165 L N 0.850 122.012 121.223 -0.103 0.000 2.017 165 L HA -0.148 4.196 4.340 0.006 0.000 0.208 165 L C 2.268 179.046 176.870 -0.154 0.000 1.073 165 L CA 1.572 56.354 54.840 -0.097 0.000 0.745 165 L CB -1.105 40.913 42.059 -0.069 0.000 0.894 165 L HN 0.206 nan 8.230 nan 0.000 0.432 166 L N 0.385 121.467 121.223 -0.236 0.000 2.042 166 L HA -0.106 4.237 4.340 0.006 0.000 0.210 166 L C 2.329 179.005 176.870 -0.323 0.000 1.076 166 L CA 2.205 56.876 54.840 -0.281 0.000 0.749 166 L CB -1.153 40.679 42.059 -0.379 0.000 0.893 166 L HN 0.349 nan 8.230 nan 0.000 0.432 167 A N -1.146 121.405 122.820 -0.448 0.000 2.208 167 A HA 0.365 4.689 4.320 0.006 0.000 0.209 167 A C 1.572 179.077 177.584 -0.132 0.000 1.161 167 A CA 0.577 52.428 52.037 -0.310 0.000 0.782 167 A CB -1.026 17.775 19.000 -0.331 0.000 0.816 167 A HN 0.876 nan 8.150 nan 0.000 0.477 168 G N -0.524 108.208 108.800 -0.114 0.000 2.295 168 G HA2 -0.209 3.754 3.960 0.006 0.000 0.287 168 G HA3 -0.209 3.754 3.960 0.006 0.000 0.287 168 G C -0.180 174.711 174.900 -0.015 0.000 1.055 168 G CA 0.576 45.643 45.100 -0.056 0.000 0.922 168 G HN 0.506 nan 8.290 nan 0.000 0.503 169 L N -0.063 121.162 121.223 0.004 0.000 2.334 169 L HA 0.520 4.863 4.340 0.006 0.000 0.276 169 L C -1.862 175.047 176.870 0.064 0.000 1.014 169 L CA -2.618 52.263 54.840 0.068 0.000 0.815 169 L CB 1.875 44.027 42.059 0.156 0.000 1.268 169 L HN -0.116 nan 8.230 nan 0.000 0.428 170 P HA 0.023 nan 4.420 nan 0.000 0.265 170 P C 0.064 177.404 177.300 0.066 0.000 1.193 170 P CA 0.053 63.191 63.100 0.062 0.000 0.765 170 P CB 0.586 32.328 31.700 0.070 0.000 0.823 171 E N 1.740 121.967 120.200 0.045 0.000 2.268 171 E HA -0.195 4.158 4.350 0.006 0.000 0.195 171 E C 1.443 178.070 176.600 0.044 0.000 0.995 171 E CA 0.797 57.221 56.400 0.041 0.000 0.836 171 E CB 0.049 29.765 29.700 0.027 0.000 0.763 171 E HN 0.673 nan 8.360 nan 0.000 0.491 172 E N 0.825 121.053 120.200 0.047 0.000 2.409 172 E HA -0.176 4.178 4.350 0.006 0.000 0.198 172 E C 0.694 177.331 176.600 0.062 0.000 1.024 172 E CA 0.871 57.299 56.400 0.046 0.000 0.861 172 E CB 0.060 29.783 29.700 0.038 0.000 0.788 172 E HN 0.103 nan 8.360 nan 0.000 0.521 173 D N 0.746 121.197 120.400 0.084 0.000 2.349 173 D HA 0.096 4.739 4.640 0.006 0.000 0.215 173 D C 1.694 178.028 176.300 0.057 0.000 1.016 173 D CA 0.150 54.212 54.000 0.103 0.000 0.870 173 D CB 0.049 40.959 40.800 0.182 0.000 0.917 173 D HN 0.288 nan 8.370 nan 0.000 0.524 174 I N 1.384 121.981 120.570 0.045 0.000 2.163 174 I HA -0.214 3.959 4.170 0.006 0.000 0.243 174 I C -0.604 175.529 176.117 0.027 0.000 1.085 174 I CA 1.221 62.535 61.300 0.023 0.000 1.347 174 I CB -1.147 36.866 38.000 0.021 0.000 1.044 174 I HN 0.005 nan 8.210 nan 0.000 0.408 175 P HA -0.212 nan 4.420 nan 0.000 0.216 175 P C 1.424 178.785 177.300 0.103 0.000 1.153 175 P CA 1.648 64.786 63.100 0.063 0.000 0.858 175 P CB -0.035 31.698 31.700 0.056 0.000 0.789 176 H N -0.556 118.513 119.070 -0.002 0.000 2.307 176 H HA 0.008 4.567 4.556 0.005 0.000 0.303 176 H C 1.824 177.145 175.328 -0.012 0.000 1.073 176 H CA 1.363 57.413 56.048 0.004 0.000 1.338 176 H CB -0.993 28.755 29.762 -0.023 0.000 1.389 176 H HN -0.086 nan 8.280 nan 0.000 0.503 177 L N 0.017 121.163 121.223 -0.129 0.000 2.079 177 L HA -0.173 4.171 4.340 0.006 0.000 0.210 177 L C 2.453 179.225 176.870 -0.164 0.000 1.081 177 L CA 1.667 56.366 54.840 -0.235 0.000 0.752 177 L CB -0.432 41.483 42.059 -0.241 0.000 0.896 177 L HN 0.209 nan 8.230 nan 0.000 0.433 178 K N -0.110 120.240 120.400 -0.084 0.000 2.103 178 K HA -0.210 4.114 4.320 0.006 0.000 0.204 178 K C 2.092 178.659 176.600 -0.054 0.000 1.052 178 K CA 1.280 57.529 56.287 -0.064 0.000 0.945 178 K CB -0.531 31.953 32.500 -0.026 0.000 0.722 178 K HN 0.253 nan 8.250 nan 0.000 0.443 179 Y N 0.696 120.925 120.300 -0.119 0.000 2.181 179 Y HA -0.128 4.427 4.550 0.008 0.000 0.288 179 Y C 1.510 177.325 175.900 -0.141 0.000 1.146 179 Y CA 1.752 59.788 58.100 -0.108 0.000 1.164 179 Y CB -0.127 38.275 38.460 -0.097 0.000 0.982 179 Y HN 0.003 nan 8.280 nan 0.000 0.515 180 L N -0.796 120.257 121.223 -0.283 0.000 2.056 180 L HA -0.215 4.128 4.340 0.006 0.000 0.207 180 L C 2.353 179.049 176.870 -0.289 0.000 1.078 180 L CA 1.811 56.441 54.840 -0.351 0.000 0.749 180 L CB -0.995 40.889 42.059 -0.292 0.000 0.901 180 L HN 0.192 nan 8.230 nan 0.000 0.433 181 T N -0.949 113.480 114.554 -0.210 0.000 2.788 181 T HA -0.179 4.175 4.350 0.006 0.000 0.268 181 T C 1.418 176.059 174.700 -0.099 0.000 1.044 181 T CA 1.489 63.509 62.100 -0.134 0.000 1.139 181 T CB -0.265 68.527 68.868 -0.126 0.000 0.867 181 T HN 0.295 nan 8.240 nan 0.000 0.454 182 D N 0.979 121.287 120.400 -0.154 0.000 2.144 182 D HA -0.072 4.572 4.640 0.006 0.000 0.199 182 D C 2.414 178.630 176.300 -0.140 0.000 0.984 182 D CA 0.823 54.747 54.000 -0.127 0.000 0.834 182 D CB -0.226 40.494 40.800 -0.133 0.000 0.955 182 D HN 0.252 nan 8.370 nan 0.000 0.465 183 Q N -0.392 119.238 119.800 -0.284 0.000 2.224 183 Q HA 0.036 4.380 4.340 0.006 0.000 0.203 183 Q C 2.175 178.147 176.000 -0.045 0.000 0.970 183 Q CA 0.606 56.269 55.803 -0.234 0.000 0.865 183 Q CB -0.262 28.239 28.738 -0.395 0.000 0.922 183 Q HN 0.446 nan 8.270 nan 0.000 0.445 184 M N -0.237 119.371 119.600 0.014 0.000 2.349 184 M HA -0.068 4.416 4.480 0.006 0.000 0.266 184 M C 1.819 178.365 176.300 0.410 0.000 1.076 184 M CA 1.681 57.150 55.300 0.281 0.000 1.126 184 M CB -0.033 32.726 32.600 0.265 0.000 1.392 184 M HN 0.258 nan 8.290 nan 0.000 0.440 185 T N -2.649 112.044 114.554 0.231 0.000 3.038 185 T HA 0.195 4.548 4.350 0.006 0.000 0.244 185 T C 1.056 175.882 174.700 0.210 0.000 1.016 185 T CA -0.166 62.046 62.100 0.187 0.000 1.098 185 T CB 0.218 69.156 68.868 0.116 0.000 0.954 185 T HN 0.235 nan 8.240 nan 0.000 0.469 186 R N 2.145 122.736 120.500 0.152 0.000 2.653 186 R HA 0.337 4.680 4.340 0.006 0.000 0.269 186 R C -3.011 173.321 176.300 0.053 0.000 1.603 186 R CA -1.634 54.564 56.100 0.163 0.000 1.671 186 R CB 1.308 31.684 30.300 0.126 0.000 1.300 186 R HN 0.336 nan 8.270 nan 0.000 0.668 187 P HA -0.034 nan 4.420 nan 0.000 0.265 187 P C -0.191 177.077 177.300 -0.055 0.000 1.193 187 P CA 0.210 63.266 63.100 -0.072 0.000 0.765 187 P CB 0.801 32.430 31.700 -0.119 0.000 0.823 188 D N 1.274 121.652 120.400 -0.036 0.000 2.339 188 D HA 0.088 4.732 4.640 0.006 0.000 0.217 188 D C 1.381 177.682 176.300 0.002 0.000 1.050 188 D CA 0.500 54.500 54.000 0.000 0.000 0.856 188 D CB -0.289 40.532 40.800 0.034 0.000 0.922 188 D HN 0.591 nan 8.370 nan 0.000 0.518 189 G N 0.206 108.997 108.800 -0.014 0.000 2.232 189 G HA2 -0.352 3.612 3.960 0.006 0.000 0.226 189 G HA3 -0.352 3.612 3.960 0.006 0.000 0.226 189 G C 1.292 176.204 174.900 0.020 0.000 0.996 189 G CA 0.629 45.725 45.100 -0.006 0.000 0.626 189 G HN 0.615 nan 8.290 nan 0.000 0.509 190 S N -0.490 115.242 115.700 0.053 0.000 2.447 190 S HA 0.428 4.901 4.470 0.006 0.000 0.233 190 S C 0.988 175.641 174.600 0.088 0.000 1.006 190 S CA 1.360 59.613 58.200 0.088 0.000 0.957 190 S CB 0.045 63.348 63.200 0.170 0.000 0.773 190 S HN 0.580 nan 8.310 nan 0.000 0.507 191 M N 1.726 121.359 119.600 0.056 0.000 2.433 191 M HA 0.334 4.817 4.480 0.006 0.000 0.290 191 M C -0.481 175.820 176.300 0.001 0.000 1.173 191 M CA -0.601 54.717 55.300 0.030 0.000 0.905 191 M CB 2.617 35.226 32.600 0.015 0.000 1.692 191 M HN 0.202 nan 8.290 nan 0.000 0.462 192 T N -1.399 113.161 114.554 0.011 0.000 2.788 192 T HA 0.250 4.604 4.350 0.006 0.000 0.287 192 T C 0.778 175.505 174.700 0.046 0.000 1.007 192 T CA -0.462 61.661 62.100 0.039 0.000 1.005 192 T CB 0.786 69.686 68.868 0.052 0.000 1.012 192 T HN 0.590 nan 8.240 nan 0.000 0.530 193 F N 1.537 121.481 119.950 -0.010 0.000 2.065 193 F HA -0.045 4.489 4.527 0.011 0.000 0.298 193 F C 2.574 178.342 175.800 -0.054 0.000 1.112 193 F CA 2.049 60.053 58.000 0.007 0.000 1.212 193 F CB -1.049 38.003 39.000 0.087 0.000 0.975 193 F HN 0.727 nan 8.300 nan 0.000 0.476 194 A N 0.058 122.949 122.820 0.119 0.000 1.908 194 A HA -0.248 4.075 4.320 0.006 0.000 0.218 194 A C 2.100 179.591 177.584 -0.155 0.000 1.181 194 A CA 2.047 54.068 52.037 -0.028 0.000 0.627 194 A CB -1.040 18.001 19.000 0.069 0.000 0.818 194 A HN 0.604 nan 8.150 nan 0.000 0.445 195 E N -0.416 119.729 120.200 -0.092 0.000 2.058 195 E HA -0.127 4.227 4.350 0.006 0.000 0.194 195 E C 2.337 178.854 176.600 -0.139 0.000 0.997 195 E CA 1.116 57.468 56.400 -0.081 0.000 0.801 195 E CB -0.305 29.380 29.700 -0.024 0.000 0.746 195 E HN 0.630 nan 8.360 nan 0.000 0.450 196 A N 1.427 124.121 122.820 -0.209 0.000 1.902 196 A HA -0.228 4.096 4.320 0.006 0.000 0.217 196 A C 2.047 179.416 177.584 -0.358 0.000 1.181 196 A CA 1.558 53.444 52.037 -0.253 0.000 0.623 196 A CB -0.366 18.456 19.000 -0.297 0.000 0.818 196 A HN 0.060 nan 8.150 nan 0.000 0.443 197 K N -0.147 119.897 120.400 -0.594 0.000 2.032 197 K HA -0.235 4.088 4.320 0.006 0.000 0.209 197 K C 2.139 178.372 176.600 -0.612 0.000 1.048 197 K CA 1.799 57.632 56.287 -0.757 0.000 0.927 197 K CB -0.203 31.671 32.500 -1.043 0.000 0.712 197 K HN 0.672 nan 8.250 nan 0.000 0.441 198 E N -0.018 119.962 120.200 -0.367 0.000 2.077 198 E HA -0.208 4.146 4.350 0.006 0.000 0.193 198 E C 1.719 178.304 176.600 -0.026 0.000 0.989 198 E CA 1.163 57.481 56.400 -0.137 0.000 0.800 198 E CB -0.151 29.514 29.700 -0.058 0.000 0.746 198 E HN 0.396 nan 8.360 nan 0.000 0.452 199 A N 1.056 123.848 122.820 -0.047 0.000 1.930 199 A HA -0.115 4.209 4.320 0.006 0.000 0.217 199 A C 2.143 179.782 177.584 0.091 0.000 1.175 199 A CA 1.143 53.213 52.037 0.055 0.000 0.627 199 A CB -0.579 18.457 19.000 0.059 0.000 0.815 199 A HN 0.393 nan 8.150 nan 0.000 0.443 200 L N -1.557 119.659 121.223 -0.012 0.000 2.083 200 L HA -0.119 4.224 4.340 0.006 0.000 0.209 200 L C 2.243 179.285 176.870 0.287 0.000 1.083 200 L CA 1.779 56.660 54.840 0.069 0.000 0.752 200 L CB -0.693 41.352 42.059 -0.024 0.000 0.899 200 L HN 0.450 nan 8.230 nan 0.000 0.433 201 Y N -0.232 120.126 120.300 0.096 0.000 2.163 201 Y HA -0.207 4.345 4.550 0.002 0.000 0.288 201 Y C 2.577 178.535 175.900 0.097 0.000 1.136 201 Y CA 1.202 59.354 58.100 0.086 0.000 1.147 201 Y CB -1.085 37.386 38.460 0.018 0.000 0.987 201 Y HN 0.399 nan 8.280 nan 0.000 0.509 202 D N -0.994 119.566 120.400 0.266 0.000 2.149 202 D HA -0.278 4.365 4.640 0.006 0.000 0.198 202 D C 2.152 178.568 176.300 0.192 0.000 0.990 202 D CA 1.265 55.373 54.000 0.181 0.000 0.839 202 D CB -0.429 40.460 40.800 0.148 0.000 0.948 202 D HN 0.354 nan 8.370 nan 0.000 0.460 203 Y N 0.411 120.788 120.300 0.128 0.000 2.224 203 Y HA -0.060 4.489 4.550 -0.002 0.000 0.289 203 Y C 1.754 177.712 175.900 0.098 0.000 1.146 203 Y CA 1.359 59.529 58.100 0.118 0.000 1.182 203 Y CB -0.127 38.431 38.460 0.164 0.000 0.983 203 Y HN 0.037 nan 8.280 nan 0.000 0.524 204 L N -0.521 120.825 121.223 0.205 0.000 2.240 204 L HA -0.111 4.233 4.340 0.006 0.000 0.211 204 L C 2.308 179.167 176.870 -0.019 0.000 1.106 204 L CA 0.563 55.444 54.840 0.067 0.000 0.793 204 L CB -0.389 41.789 42.059 0.198 0.000 0.927 204 L HN 0.265 nan 8.230 nan 0.000 0.446 205 I N 0.723 121.294 120.570 0.003 0.000 2.118 205 I HA -0.254 3.920 4.170 0.006 0.000 0.241 205 I C -0.215 175.875 176.117 -0.045 0.000 1.070 205 I CA 1.800 63.087 61.300 -0.021 0.000 1.327 205 I CB -1.349 36.648 38.000 -0.005 0.000 1.034 205 I HN 0.255 nan 8.210 nan 0.000 0.405 206 P HA -0.092 nan 4.420 nan 0.000 0.222 206 P C 1.838 179.088 177.300 -0.084 0.000 1.153 206 P CA 1.535 64.593 63.100 -0.070 0.000 0.798 206 P CB -0.065 31.588 31.700 -0.078 0.000 0.796 207 I N -0.753 119.745 120.570 -0.121 0.000 2.315 207 I HA -0.175 3.999 4.170 0.006 0.000 0.248 207 I C 2.571 178.652 176.117 -0.060 0.000 1.117 207 I CA 1.142 62.376 61.300 -0.110 0.000 1.404 207 I CB -0.488 37.411 38.000 -0.169 0.000 1.071 207 I HN -0.180 nan 8.210 nan 0.000 0.419 208 I N 0.525 121.068 120.570 -0.046 0.000 2.252 208 I HA -0.257 3.917 4.170 0.006 0.000 0.245 208 I C 2.643 178.744 176.117 -0.026 0.000 1.102 208 I CA 1.187 62.472 61.300 -0.025 0.000 1.385 208 I CB -0.197 37.793 38.000 -0.018 0.000 1.064 208 I HN 0.193 nan 8.210 nan 0.000 0.414 209 E N 1.080 121.262 120.200 -0.031 0.000 2.051 209 E HA -0.306 4.047 4.350 0.006 0.000 0.192 209 E C 2.087 178.671 176.600 -0.027 0.000 0.991 209 E CA 1.709 58.093 56.400 -0.027 0.000 0.799 209 E CB -0.284 29.399 29.700 -0.028 0.000 0.748 209 E HN 0.449 nan 8.360 nan 0.000 0.449 210 Q N -0.070 119.709 119.800 -0.034 0.000 2.096 210 Q HA -0.170 4.174 4.340 0.006 0.000 0.204 210 Q C 2.128 178.112 176.000 -0.026 0.000 0.982 210 Q CA 1.605 57.390 55.803 -0.031 0.000 0.850 210 Q CB -0.061 28.653 28.738 -0.040 0.000 0.901 210 Q HN 0.187 nan 8.270 nan 0.000 0.422 211 R N -0.476 120.009 120.500 -0.026 0.000 2.235 211 R HA 0.006 4.349 4.340 0.006 0.000 0.213 211 R C 2.213 178.504 176.300 -0.016 0.000 1.059 211 R CA 0.728 56.816 56.100 -0.020 0.000 0.997 211 R CB 0.067 30.356 30.300 -0.019 0.000 0.884 211 R HN 0.224 nan 8.270 nan 0.000 0.462 212 R N -0.072 120.419 120.500 -0.015 0.000 2.119 212 R HA -0.013 4.331 4.340 0.006 0.000 0.222 212 R C 2.044 178.336 176.300 -0.012 0.000 1.088 212 R CA 0.694 56.787 56.100 -0.011 0.000 0.984 212 R CB 0.149 30.442 30.300 -0.010 0.000 0.884 212 R HN 0.108 nan 8.270 nan 0.000 0.447 213 Q N 0.810 120.602 119.800 -0.014 0.000 2.137 213 Q HA -0.024 4.319 4.340 0.006 0.000 0.198 213 Q C 0.011 176.004 176.000 -0.013 0.000 0.960 213 Q CA 1.329 57.124 55.803 -0.013 0.000 0.847 213 Q CB 0.362 29.091 28.738 -0.014 0.000 0.915 213 Q HN 0.195 nan 8.270 nan 0.000 0.448 214 K N 0.842 121.234 120.400 -0.014 0.000 2.752 214 K HA 0.343 4.666 4.320 0.006 0.000 0.199 214 K C -2.659 173.932 176.600 -0.015 0.000 1.069 214 K CA -1.415 54.864 56.287 -0.014 0.000 1.033 214 K CB 1.522 34.013 32.500 -0.015 0.000 1.229 214 K HN -0.105 nan 8.250 nan 0.000 0.572 215 P HA 0.087 nan 4.420 nan 0.000 0.271 215 P C 0.140 177.431 177.300 -0.016 0.000 1.216 215 P CA -0.093 62.998 63.100 -0.014 0.000 0.776 215 P CB 1.216 32.908 31.700 -0.013 0.000 0.881 216 G N 0.455 109.245 108.800 -0.018 0.000 2.857 216 G HA2 0.476 4.439 3.960 0.006 0.000 0.217 216 G HA3 0.476 4.439 3.960 0.006 0.000 0.217 216 G C 0.274 175.161 174.900 -0.021 0.000 1.357 216 G CA -0.222 44.866 45.100 -0.020 0.000 1.033 216 G HN 0.463 nan 8.290 nan 0.000 0.571 217 T N -1.690 112.849 114.554 -0.025 0.000 3.085 217 T HA 0.207 4.561 4.350 0.006 0.000 0.264 217 T C 0.335 175.013 174.700 -0.036 0.000 1.019 217 T CA 0.193 62.278 62.100 -0.026 0.000 0.910 217 T CB -0.226 68.627 68.868 -0.025 0.000 1.059 217 T HN 0.579 nan 8.240 nan 0.000 0.542 218 D N 1.061 121.436 120.400 -0.041 0.000 2.377 218 D HA 0.356 5.000 4.640 0.006 0.000 0.245 218 D C 1.452 177.716 176.300 -0.059 0.000 1.196 218 D CA -0.174 53.789 54.000 -0.061 0.000 0.962 218 D CB 1.480 42.242 40.800 -0.064 0.000 1.127 218 D HN 0.090 nan 8.370 nan 0.000 0.471 219 A N 1.263 124.031 122.820 -0.087 0.000 1.940 219 A HA -0.169 4.155 4.320 0.006 0.000 0.219 219 A C 2.350 179.917 177.584 -0.029 0.000 1.176 219 A CA 1.146 53.145 52.037 -0.064 0.000 0.631 219 A CB -0.785 18.151 19.000 -0.106 0.000 0.814 219 A HN 0.677 nan 8.150 nan 0.000 0.446 220 I N -0.453 120.100 120.570 -0.028 0.000 2.315 220 I HA -0.204 3.970 4.170 0.006 0.000 0.248 220 I C 2.610 178.727 176.117 0.000 0.000 1.117 220 I CA 1.360 62.662 61.300 0.004 0.000 1.404 220 I CB -0.275 37.731 38.000 0.011 0.000 1.071 220 I HN 0.232 nan 8.210 nan 0.000 0.419 221 S N 0.843 116.536 115.700 -0.012 0.000 2.368 221 S HA -0.098 4.376 4.470 0.006 0.000 0.225 221 S C 2.000 176.596 174.600 -0.006 0.000 1.030 221 S CA 1.210 59.404 58.200 -0.011 0.000 0.999 221 S CB -0.237 62.953 63.200 -0.018 0.000 0.844 221 S HN 0.326 nan 8.310 nan 0.000 0.459 222 I N 0.883 121.448 120.570 -0.008 0.000 2.252 222 I HA -0.128 4.045 4.170 0.006 0.000 0.245 222 I C 2.134 178.256 176.117 0.007 0.000 1.102 222 I CA 0.772 62.070 61.300 -0.004 0.000 1.385 222 I CB -0.328 37.667 38.000 -0.009 0.000 1.064 222 I HN 0.140 nan 8.210 nan 0.000 0.414 223 V N 0.905 120.830 119.914 0.017 0.000 2.270 223 V HA -0.270 3.854 4.120 0.006 0.000 0.245 223 V C 2.672 178.786 176.094 0.032 0.000 1.043 223 V CA 2.035 64.357 62.300 0.036 0.000 1.014 223 V CB -0.965 30.889 31.823 0.052 0.000 0.645 223 V HN 0.488 nan 8.190 nan 0.000 0.447 224 A N 0.018 122.851 122.820 0.022 0.000 2.019 224 A HA -0.157 4.166 4.320 0.006 0.000 0.219 224 A C 1.749 179.339 177.584 0.010 0.000 1.164 224 A CA 1.651 53.698 52.037 0.016 0.000 0.644 224 A CB -0.445 18.559 19.000 0.007 0.000 0.805 224 A HN 0.619 nan 8.150 nan 0.000 0.449 225 N N 0.031 118.734 118.700 0.005 0.000 2.251 225 N HA 0.133 4.876 4.740 0.006 0.000 0.217 225 N C 0.573 176.083 175.510 -0.000 0.000 1.124 225 N CA 0.559 53.609 53.050 0.000 0.000 0.843 225 N CB 0.601 39.085 38.487 -0.005 0.000 1.024 225 N HN 0.409 nan 8.380 nan 0.000 0.501 226 G N 0.010 108.814 108.800 0.006 0.000 2.522 226 G HA2 0.398 4.361 3.960 0.006 0.000 0.304 226 G HA3 0.398 4.361 3.960 0.006 0.000 0.304 226 G C -0.386 174.508 174.900 -0.010 0.000 1.210 226 G CA -0.262 44.837 45.100 -0.001 0.000 0.960 226 G HN 0.071 nan 8.290 nan 0.000 0.497 227 Q N -1.116 118.668 119.800 -0.027 0.000 2.342 227 Q HA 0.490 4.834 4.340 0.006 0.000 0.267 227 Q C -0.723 175.223 176.000 -0.089 0.000 1.038 227 Q CA -0.845 54.929 55.803 -0.049 0.000 0.832 227 Q CB 2.655 31.366 28.738 -0.045 0.000 1.323 227 Q HN 0.491 nan 8.270 nan 0.000 0.448 228 V N 0.194 120.023 119.914 -0.142 0.000 2.350 228 V HA 0.408 4.531 4.120 0.006 0.000 0.285 228 V C -0.312 175.652 176.094 -0.218 0.000 1.014 228 V CA -1.047 61.095 62.300 -0.263 0.000 0.831 228 V CB 1.135 32.616 31.823 -0.570 0.000 1.000 228 V HN 0.817 nan 8.190 nan 0.000 0.433 229 N N 3.936 122.529 118.700 -0.178 0.000 2.698 229 N HA -0.184 4.559 4.740 0.006 0.000 0.258 229 N C 1.335 176.789 175.510 -0.094 0.000 0.978 229 N CA 1.955 54.930 53.050 -0.125 0.000 0.777 229 N CB -1.149 37.258 38.487 -0.133 0.000 0.907 229 N HN 1.950 nan 8.380 nan 0.000 0.543 230 G N -1.710 107.043 108.800 -0.079 0.000 2.179 230 G HA2 -0.368 3.595 3.960 0.006 0.000 0.260 230 G HA3 -0.368 3.595 3.960 0.006 0.000 0.260 230 G C 0.033 174.901 174.900 -0.053 0.000 0.977 230 G CA 0.757 45.822 45.100 -0.057 0.000 0.641 230 G HN 0.903 nan 8.290 nan 0.000 0.533 231 R N -0.619 119.842 120.500 -0.065 0.000 2.750 231 R HA 0.746 5.089 4.340 0.006 0.000 0.281 231 R C -3.285 172.988 176.300 -0.044 0.000 0.972 231 R CA -2.536 53.535 56.100 -0.047 0.000 0.912 231 R CB 0.613 30.888 30.300 -0.041 0.000 1.187 231 R HN 0.035 nan 8.270 nan 0.000 0.464 232 P HA 0.007 nan 4.420 nan 0.000 0.263 232 P C -0.179 177.121 177.300 0.001 0.000 1.195 232 P CA -0.069 63.023 63.100 -0.012 0.000 0.762 232 P CB 0.405 32.101 31.700 -0.007 0.000 0.799 233 I N 2.924 123.500 120.570 0.010 0.000 2.892 233 I HA 0.024 4.198 4.170 0.006 0.000 0.287 233 I C 0.882 177.030 176.117 0.052 0.000 1.205 233 I CA 0.361 61.693 61.300 0.053 0.000 1.409 233 I CB 0.741 38.786 38.000 0.074 0.000 1.367 233 I HN 0.394 nan 8.210 nan 0.000 0.597 234 T N 2.045 116.644 114.554 0.074 0.000 2.881 234 T HA 0.239 4.592 4.350 0.006 0.000 0.278 234 T C 1.018 175.731 174.700 0.022 0.000 0.982 234 T CA -0.413 61.711 62.100 0.039 0.000 0.989 234 T CB 1.620 70.510 68.868 0.035 0.000 1.058 234 T HN 0.645 nan 8.240 nan 0.000 0.529 235 S N 0.512 116.212 115.700 -0.000 0.000 2.359 235 S HA -0.145 4.329 4.470 0.006 0.000 0.224 235 S C 1.719 176.292 174.600 -0.044 0.000 1.035 235 S CA 1.399 59.588 58.200 -0.018 0.000 1.018 235 S CB -0.579 62.606 63.200 -0.025 0.000 0.876 235 S HN 0.800 nan 8.310 nan 0.000 0.448 236 D N 0.649 121.016 120.400 -0.055 0.000 2.144 236 D HA -0.070 4.573 4.640 0.006 0.000 0.200 236 D C 1.981 178.210 176.300 -0.119 0.000 0.978 236 D CA 0.889 54.824 54.000 -0.109 0.000 0.833 236 D CB -0.099 40.646 40.800 -0.091 0.000 0.961 236 D HN 0.504 nan 8.370 nan 0.000 0.470 237 E N 0.554 120.725 120.200 -0.049 0.000 2.077 237 E HA -0.124 4.229 4.350 0.006 0.000 0.193 237 E C 2.072 178.666 176.600 -0.010 0.000 0.989 237 E CA 0.945 57.324 56.400 -0.035 0.000 0.800 237 E CB -0.013 29.761 29.700 0.122 0.000 0.746 237 E HN 0.156 nan 8.360 nan 0.000 0.452 238 A N 1.469 124.298 122.820 0.016 0.000 2.015 238 A HA -0.203 4.121 4.320 0.006 0.000 0.219 238 A C 2.039 179.622 177.584 -0.002 0.000 1.163 238 A CA 1.334 53.389 52.037 0.029 0.000 0.646 238 A CB -0.305 18.710 19.000 0.025 0.000 0.806 238 A HN 0.053 nan 8.150 nan 0.000 0.448 239 K N -0.151 120.204 120.400 -0.074 0.000 2.076 239 K HA -0.086 4.237 4.320 0.006 0.000 0.204 239 K C 2.124 178.633 176.600 -0.150 0.000 1.051 239 K CA 0.998 57.206 56.287 -0.132 0.000 0.949 239 K CB -0.174 32.167 32.500 -0.265 0.000 0.726 239 K HN 0.449 nan 8.250 nan 0.000 0.443 240 R N 0.225 120.599 120.500 -0.211 0.000 2.120 240 R HA -0.095 4.248 4.340 0.006 0.000 0.234 240 R C 2.375 178.785 176.300 0.182 0.000 1.123 240 R CA 1.746 57.845 56.100 -0.001 0.000 0.975 240 R CB -0.244 30.008 30.300 -0.080 0.000 0.866 240 R HN 0.315 nan 8.270 nan 0.000 0.446 241 M N -0.310 119.339 119.600 0.081 0.000 2.248 241 M HA -0.061 4.423 4.480 0.006 0.000 0.265 241 M C 1.841 178.205 176.300 0.106 0.000 1.079 241 M CA 1.404 56.763 55.300 0.098 0.000 1.150 241 M CB 0.127 32.786 32.600 0.097 0.000 1.366 241 M HN 0.142 nan 8.290 nan 0.000 0.433 242 C N 0.901 120.270 119.300 0.114 0.000 2.435 242 C HA 0.005 4.468 4.460 0.006 0.000 0.279 242 C C 2.733 177.809 174.990 0.143 0.000 1.321 242 C CA 0.916 60.014 59.018 0.133 0.000 1.752 242 C CB -1.902 25.916 27.740 0.130 0.000 1.959 242 C HN 0.824 nan 8.230 nan 0.000 0.500 243 G N 0.255 109.181 108.800 0.211 0.000 2.402 243 G HA2 -0.163 3.801 3.960 0.006 0.000 0.216 243 G HA3 -0.163 3.801 3.960 0.006 0.000 0.216 243 G C 1.603 176.327 174.900 -0.295 0.000 1.162 243 G CA 0.440 45.673 45.100 0.221 0.000 0.777 243 G HN 0.461 nan 8.290 nan 0.000 0.539 244 L N 0.416 121.395 121.223 -0.408 0.000 2.046 244 L HA 0.071 4.414 4.340 0.006 0.000 0.208 244 L C 2.770 179.441 176.870 -0.333 0.000 1.077 244 L CA 1.381 55.806 54.840 -0.692 0.000 0.747 244 L CB -0.612 41.270 42.059 -0.296 0.000 0.896 244 L HN 0.227 nan 8.230 nan 0.000 0.432 245 L N -0.578 120.578 121.223 -0.112 0.000 2.083 245 L HA -0.276 4.068 4.340 0.006 0.000 0.209 245 L C 2.691 179.429 176.870 -0.220 0.000 1.083 245 L CA 1.042 55.876 54.840 -0.010 0.000 0.752 245 L CB -0.439 41.759 42.059 0.233 0.000 0.899 245 L HN 0.293 nan 8.230 nan 0.000 0.433 246 L N -1.045 120.083 121.223 -0.159 0.000 2.027 246 L HA -0.197 4.147 4.340 0.006 0.000 0.206 246 L C 2.504 179.119 176.870 -0.425 0.000 1.074 246 L CA 0.906 55.573 54.840 -0.288 0.000 0.745 246 L CB -0.341 41.705 42.059 -0.021 0.000 0.898 246 L HN 0.045 nan 8.230 nan 0.000 0.433 247 V N -0.085 119.616 119.914 -0.355 0.000 2.407 247 V HA -0.207 3.917 4.120 0.006 0.000 0.248 247 V C 2.585 178.519 176.094 -0.266 0.000 1.055 247 V CA 1.915 64.041 62.300 -0.290 0.000 1.049 247 V CB -1.153 30.481 31.823 -0.314 0.000 0.662 247 V HN 0.588 nan 8.190 nan 0.000 0.455 248 G N -0.047 108.576 108.800 -0.295 0.000 2.442 248 G HA2 -0.161 3.802 3.960 0.006 0.000 0.219 248 G HA3 -0.161 3.802 3.960 0.006 0.000 0.219 248 G C 1.523 176.234 174.900 -0.315 0.000 1.141 248 G CA 0.980 45.944 45.100 -0.227 0.000 0.763 248 G HN 0.602 nan 8.290 nan 0.000 0.554 249 G N -0.237 108.172 108.800 -0.651 0.000 2.603 249 G HA2 0.184 4.147 3.960 0.006 0.000 0.214 249 G HA3 0.184 4.147 3.960 0.006 0.000 0.214 249 G C 1.345 175.978 174.900 -0.444 0.000 1.140 249 G CA 0.188 44.831 45.100 -0.762 0.000 0.800 249 G HN 0.311 nan 8.290 nan 0.000 0.533 250 L N -0.204 120.799 121.223 -0.366 0.000 2.616 250 L HA 0.383 4.726 4.340 0.006 0.000 0.229 250 L C 0.389 177.185 176.870 -0.124 0.000 1.110 250 L CA 0.554 55.272 54.840 -0.205 0.000 0.884 250 L CB 0.749 42.693 42.059 -0.192 0.000 1.115 250 L HN 0.042 nan 8.230 nan 0.000 0.481 251 D N -1.893 118.441 120.400 -0.109 0.000 2.940 251 D HA 0.206 4.850 4.640 0.006 0.000 0.366 251 D C 0.835 177.126 176.300 -0.015 0.000 1.446 251 D CA 0.830 54.799 54.000 -0.051 0.000 0.780 251 D CB 0.469 41.244 40.800 -0.042 0.000 1.206 251 D HN 0.207 nan 8.370 nan 0.000 0.454 252 T N -4.745 109.808 114.554 -0.001 0.000 3.636 252 T HA 0.030 4.384 4.350 0.006 0.000 0.279 252 T C 1.707 176.473 174.700 0.110 0.000 0.977 252 T CA 0.410 62.536 62.100 0.045 0.000 1.139 252 T CB -0.194 68.687 68.868 0.022 0.000 1.147 252 T HN -0.113 nan 8.240 nan 0.000 0.442 253 V N 2.683 122.649 119.914 0.088 0.000 2.287 253 V HA -0.184 3.940 4.120 0.006 0.000 0.248 253 V C 2.817 179.013 176.094 0.171 0.000 1.053 253 V CA 2.079 64.477 62.300 0.163 0.000 1.027 253 V CB -1.019 30.870 31.823 0.109 0.000 0.646 253 V HN 0.419 nan 8.190 nan 0.000 0.447 254 V N 0.694 120.652 119.914 0.072 0.000 2.233 254 V HA -0.357 3.766 4.120 0.006 0.000 0.252 254 V C 2.287 178.403 176.094 0.036 0.000 1.063 254 V CA 2.621 64.942 62.300 0.035 0.000 1.032 254 V CB -0.851 30.959 31.823 -0.021 0.000 0.645 254 V HN 0.606 nan 8.190 nan 0.000 0.446 255 N N -1.017 117.698 118.700 0.024 0.000 2.270 255 N HA -0.100 4.644 4.740 0.006 0.000 0.181 255 N C 1.742 177.223 175.510 -0.050 0.000 1.016 255 N CA 1.361 54.358 53.050 -0.088 0.000 0.870 255 N CB -0.240 38.216 38.487 -0.051 0.000 0.979 255 N HN 0.547 nan 8.380 nan 0.000 0.431 256 F N 2.144 122.141 119.950 0.078 0.000 2.171 256 F HA -0.017 4.513 4.527 0.005 0.000 0.300 256 F C 2.077 177.953 175.800 0.127 0.000 1.090 256 F CA 0.842 58.952 58.000 0.182 0.000 1.293 256 F CB -0.284 38.785 39.000 0.115 0.000 1.013 256 F HN -0.087 nan 8.300 nan 0.000 0.486 257 L N -0.849 120.409 121.223 0.058 0.000 2.083 257 L HA -0.223 4.120 4.340 0.006 0.000 0.209 257 L C 2.564 179.421 176.870 -0.021 0.000 1.083 257 L CA 1.389 56.267 54.840 0.065 0.000 0.752 257 L CB -0.886 41.391 42.059 0.364 0.000 0.899 257 L HN 0.072 nan 8.230 nan 0.000 0.433 258 S N -0.509 115.187 115.700 -0.007 0.000 2.368 258 S HA -0.120 4.354 4.470 0.006 0.000 0.224 258 S C 1.774 176.151 174.600 -0.372 0.000 1.029 258 S CA 1.192 59.331 58.200 -0.102 0.000 0.988 258 S CB -0.280 62.841 63.200 -0.131 0.000 0.838 258 S HN 0.205 nan 8.310 nan 0.000 0.462 259 F N 2.226 121.962 119.950 -0.357 0.000 2.095 259 F HA -0.119 4.411 4.527 0.006 0.000 0.298 259 F C 2.805 178.088 175.800 -0.862 0.000 1.104 259 F CA 1.060 58.717 58.000 -0.572 0.000 1.232 259 F CB -1.098 37.564 39.000 -0.562 0.000 0.987 259 F HN 0.102 nan 8.300 nan 0.000 0.475 260 S N -0.335 114.962 115.700 -0.672 0.000 2.356 260 S HA -0.191 4.282 4.470 0.006 0.000 0.223 260 S C 2.110 176.498 174.600 -0.354 0.000 1.032 260 S CA 1.272 59.133 58.200 -0.565 0.000 1.005 260 S CB -0.282 62.632 63.200 -0.477 0.000 0.867 260 S HN 0.212 nan 8.310 nan 0.000 0.449 261 M N 1.140 120.453 119.600 -0.479 0.000 2.254 261 M HA 0.000 4.484 4.480 0.006 0.000 0.265 261 M C 2.237 178.317 176.300 -0.365 0.000 1.066 261 M CA 1.058 55.998 55.300 -0.599 0.000 1.123 261 M CB -1.062 30.702 32.600 -1.393 0.000 1.388 261 M HN 0.452 nan 8.290 nan 0.000 0.425 262 E N 0.059 120.077 120.200 -0.303 0.000 2.051 262 E HA -0.239 4.114 4.350 0.006 0.000 0.192 262 E C 1.985 178.526 176.600 -0.097 0.000 0.991 262 E CA 1.279 57.593 56.400 -0.142 0.000 0.799 262 E CB -0.220 29.447 29.700 -0.054 0.000 0.748 262 E HN 0.364 nan 8.360 nan 0.000 0.449 263 F N 1.457 121.237 119.950 -0.284 0.000 2.095 263 F HA -0.176 4.354 4.527 0.006 0.000 0.298 263 F C 1.983 177.708 175.800 -0.125 0.000 1.104 263 F CA 1.429 59.312 58.000 -0.194 0.000 1.232 263 F CB -0.237 38.603 39.000 -0.268 0.000 0.987 263 F HN 0.006 nan 8.300 nan 0.000 0.475 264 L N -0.000 121.123 121.223 -0.167 0.000 2.083 264 L HA -0.205 4.138 4.340 0.006 0.000 0.209 264 L C 2.782 179.420 176.870 -0.387 0.000 1.083 264 L CA 1.119 55.827 54.840 -0.221 0.000 0.752 264 L CB -1.164 40.929 42.059 0.058 0.000 0.899 264 L HN 0.301 nan 8.230 nan 0.000 0.433 265 A N -0.008 122.673 122.820 -0.232 0.000 1.969 265 A HA -0.175 4.148 4.320 0.006 0.000 0.218 265 A C 2.203 179.612 177.584 -0.291 0.000 1.169 265 A CA 1.362 53.216 52.037 -0.304 0.000 0.635 265 A CB -0.231 18.800 19.000 0.051 0.000 0.810 265 A HN 0.324 nan 8.150 nan 0.000 0.445 266 K N -0.607 119.632 120.400 -0.270 0.000 2.459 266 K HA 0.098 4.422 4.320 0.006 0.000 0.193 266 K C 0.244 176.662 176.600 -0.303 0.000 1.030 266 K CA 0.577 56.727 56.287 -0.228 0.000 1.026 266 K CB 0.198 32.610 32.500 -0.147 0.000 0.809 266 K HN 0.251 nan 8.250 nan 0.000 0.504 267 S N 1.185 116.621 115.700 -0.440 0.000 2.395 267 S HA 0.233 4.707 4.470 0.006 0.000 0.207 267 S C -2.215 172.233 174.600 -0.254 0.000 1.454 267 S CA -1.666 56.306 58.200 -0.380 0.000 1.211 267 S CB 0.718 63.502 63.200 -0.693 0.000 1.093 267 S HN -0.090 nan 8.310 nan 0.000 0.472 268 P HA -0.101 nan 4.420 nan 0.000 0.220 268 P C 0.837 178.071 177.300 -0.110 0.000 1.148 268 P CA 1.081 64.079 63.100 -0.170 0.000 0.803 268 P CB 0.189 31.802 31.700 -0.145 0.000 0.782 269 E N -1.027 119.111 120.200 -0.103 0.000 2.150 269 E HA -0.179 4.175 4.350 0.006 0.000 0.193 269 E C 1.875 178.397 176.600 -0.131 0.000 0.985 269 E CA 0.886 57.209 56.400 -0.128 0.000 0.814 269 E CB -0.616 28.968 29.700 -0.194 0.000 0.752 269 E HN 0.482 nan 8.360 nan 0.000 0.466 270 H N 0.341 119.365 119.070 -0.077 0.000 2.436 270 H HA 0.091 4.651 4.556 0.006 0.000 0.294 270 H C 2.011 177.447 175.328 0.181 0.000 1.048 270 H CA 0.901 56.980 56.048 0.053 0.000 1.353 270 H CB 0.186 29.971 29.762 0.039 0.000 1.414 270 H HN -0.000 nan 8.280 nan 0.000 0.536 271 R N 0.236 120.823 120.500 0.146 0.000 2.070 271 R HA -0.175 4.169 4.340 0.006 0.000 0.233 271 R C 2.223 178.576 176.300 0.089 0.000 1.137 271 R CA 1.495 57.653 56.100 0.096 0.000 0.945 271 R CB -0.247 30.021 30.300 -0.053 0.000 0.845 271 R HN 0.241 nan 8.270 nan 0.000 0.430 272 Q N 1.298 121.117 119.800 0.033 0.000 2.112 272 Q HA -0.225 4.119 4.340 0.006 0.000 0.206 272 Q C 1.830 177.863 176.000 0.056 0.000 0.987 272 Q CA 1.938 57.757 55.803 0.027 0.000 0.858 272 Q CB -0.131 28.602 28.738 -0.009 0.000 0.905 272 Q HN 0.382 nan 8.270 nan 0.000 0.420 273 E N -0.835 119.414 120.200 0.082 0.000 2.118 273 E HA -0.182 4.172 4.350 0.006 0.000 0.195 273 E C 1.673 178.362 176.600 0.148 0.000 0.992 273 E CA 1.212 57.682 56.400 0.116 0.000 0.804 273 E CB -0.088 29.718 29.700 0.177 0.000 0.741 273 E HN 0.468 nan 8.360 nan 0.000 0.458 274 L N 0.189 121.517 121.223 0.176 0.000 2.209 274 L HA -0.030 4.314 4.340 0.006 0.000 0.207 274 L C 2.422 179.340 176.870 0.080 0.000 1.094 274 L CA 0.276 55.186 54.840 0.116 0.000 0.790 274 L CB -0.217 41.900 42.059 0.097 0.000 0.932 274 L HN 0.190 nan 8.230 nan 0.000 0.447 275 I N -0.027 120.592 120.570 0.081 0.000 2.099 275 I HA -0.336 3.837 4.170 0.006 0.000 0.239 275 I C 2.641 178.785 176.117 0.045 0.000 1.066 275 I CA 1.603 62.937 61.300 0.057 0.000 1.324 275 I CB -0.272 37.758 38.000 0.049 0.000 1.037 275 I HN 0.313 nan 8.210 nan 0.000 0.401 276 Q N 0.184 120.010 119.800 0.045 0.000 2.119 276 Q HA -0.066 4.278 4.340 0.006 0.000 0.201 276 Q C 0.693 176.717 176.000 0.040 0.000 0.972 276 Q CA 1.050 56.874 55.803 0.036 0.000 0.847 276 Q CB 0.051 28.807 28.738 0.030 0.000 0.903 276 Q HN 0.399 nan 8.270 nan 0.000 0.433 277 R N 0.657 121.189 120.500 0.053 0.000 2.547 277 R HA 0.158 4.502 4.340 0.006 0.000 0.280 277 R C -2.082 174.247 176.300 0.049 0.000 1.630 277 R CA -1.298 54.832 56.100 0.050 0.000 1.470 277 R CB 1.182 31.516 30.300 0.056 0.000 1.178 277 R HN 0.049 nan 8.270 nan 0.000 0.591 278 P HA -0.214 nan 4.420 nan 0.000 0.222 278 P C 0.713 178.029 177.300 0.026 0.000 1.147 278 P CA 1.145 64.264 63.100 0.032 0.000 0.790 278 P CB 0.412 32.129 31.700 0.030 0.000 0.780 279 E N 0.966 121.183 120.200 0.030 0.000 2.409 279 E HA -0.153 4.201 4.350 0.006 0.000 0.198 279 E C 1.525 178.142 176.600 0.029 0.000 1.024 279 E CA 0.641 57.059 56.400 0.029 0.000 0.861 279 E CB -0.646 29.072 29.700 0.031 0.000 0.788 279 E HN 0.314 nan 8.360 nan 0.000 0.521 280 R N 0.236 120.754 120.500 0.029 0.000 2.310 280 R HA 0.262 4.605 4.340 0.006 0.000 0.202 280 R C 2.133 178.410 176.300 -0.038 0.000 0.933 280 R CA -0.006 56.108 56.100 0.024 0.000 1.054 280 R CB -0.106 30.232 30.300 0.063 0.000 0.985 280 R HN 0.203 nan 8.270 nan 0.000 0.489 281 I N 1.507 122.055 120.570 -0.036 0.000 2.179 281 I HA -0.193 3.981 4.170 0.006 0.000 0.242 281 I C -0.829 175.257 176.117 -0.050 0.000 1.088 281 I CA 1.319 62.577 61.300 -0.071 0.000 1.357 281 I CB -0.909 37.078 38.000 -0.022 0.000 1.051 281 I HN 0.044 nan 8.210 nan 0.000 0.409 282 P HA -0.189 nan 4.420 nan 0.000 0.215 282 P C 1.460 178.779 177.300 0.032 0.000 1.157 282 P CA 1.910 65.029 63.100 0.032 0.000 0.868 282 P CB -0.057 31.671 31.700 0.046 0.000 0.788 283 A N -0.160 122.676 122.820 0.027 0.000 1.972 283 A HA -0.077 4.246 4.320 0.006 0.000 0.219 283 A C 2.312 179.913 177.584 0.027 0.000 1.169 283 A CA 1.989 54.057 52.037 0.053 0.000 0.635 283 A CB -1.556 17.489 19.000 0.075 0.000 0.810 283 A HN 0.203 nan 8.150 nan 0.000 0.446 284 A N -1.087 121.650 122.820 -0.138 0.000 1.969 284 A HA -0.152 4.172 4.320 0.006 0.000 0.218 284 A C 2.358 179.852 177.584 -0.149 0.000 1.169 284 A CA 1.525 53.291 52.037 -0.451 0.000 0.635 284 A CB -1.344 16.939 19.000 -1.195 0.000 0.810 284 A HN 0.870 nan 8.150 nan 0.000 0.445 285 C N -0.510 118.764 119.300 -0.043 0.000 2.432 285 C HA -0.096 4.368 4.460 0.006 0.000 0.277 285 C C 2.546 177.608 174.990 0.120 0.000 1.249 285 C CA 1.804 60.876 59.018 0.090 0.000 1.725 285 C CB -0.951 26.850 27.740 0.103 0.000 2.028 285 C HN 0.674 nan 8.230 nan 0.000 0.477 286 E N 0.757 121.017 120.200 0.101 0.000 2.077 286 E HA -0.197 4.157 4.350 0.006 0.000 0.193 286 E C 2.070 178.727 176.600 0.096 0.000 0.989 286 E CA 1.895 58.364 56.400 0.114 0.000 0.800 286 E CB -0.375 29.417 29.700 0.152 0.000 0.746 286 E HN 0.767 nan 8.360 nan 0.000 0.452 287 E N 0.024 120.307 120.200 0.139 0.000 2.110 287 E HA -0.121 4.232 4.350 0.006 0.000 0.193 287 E C 1.921 178.586 176.600 0.108 0.000 0.988 287 E CA 1.128 57.616 56.400 0.148 0.000 0.804 287 E CB -0.316 29.553 29.700 0.282 0.000 0.745 287 E HN 0.354 nan 8.360 nan 0.000 0.458 288 L N -0.102 121.247 121.223 0.210 0.000 2.141 288 L HA -0.102 4.241 4.340 0.006 0.000 0.209 288 L C 2.465 179.563 176.870 0.380 0.000 1.094 288 L CA 0.678 55.710 54.840 0.321 0.000 0.763 288 L CB -0.325 41.976 42.059 0.404 0.000 0.908 288 L HN 0.221 nan 8.230 nan 0.000 0.437 289 L N -0.537 120.787 121.223 0.168 0.000 2.083 289 L HA -0.222 4.121 4.340 0.006 0.000 0.209 289 L C 2.843 179.490 176.870 -0.371 0.000 1.083 289 L CA 1.120 55.806 54.840 -0.256 0.000 0.752 289 L CB -0.404 41.306 42.059 -0.581 0.000 0.899 289 L HN 0.258 nan 8.230 nan 0.000 0.433 290 R N 0.333 120.643 120.500 -0.316 0.000 2.064 290 R HA -0.226 4.117 4.340 0.006 0.000 0.228 290 R C 2.482 178.622 176.300 -0.266 0.000 1.144 290 R CA 1.803 57.746 56.100 -0.261 0.000 0.932 290 R CB -0.187 30.065 30.300 -0.081 0.000 0.833 290 R HN 0.072 nan 8.270 nan 0.000 0.429 291 R N -0.121 120.179 120.500 -0.333 0.000 2.091 291 R HA -0.129 4.215 4.340 0.006 0.000 0.238 291 R C 0.810 176.584 176.300 -0.877 0.000 1.136 291 R CA 1.798 57.498 56.100 -0.666 0.000 0.959 291 R CB -0.305 29.441 30.300 -0.923 0.000 0.856 291 R HN 0.270 nan 8.270 nan 0.000 0.437 292 F N 0.394 120.256 119.950 -0.146 0.000 2.837 292 F HA 0.412 4.942 4.527 0.006 0.000 0.298 292 F C 0.393 176.099 175.800 -0.157 0.000 1.161 292 F CA -0.468 57.400 58.000 -0.221 0.000 1.353 292 F CB -0.002 38.883 39.000 -0.193 0.000 0.951 292 F HN -0.106 nan 8.300 nan 0.000 0.508 293 S N 1.703 117.304 115.700 -0.164 0.000 2.563 293 S HA 0.237 4.711 4.470 0.006 0.000 0.284 293 S C 0.856 175.294 174.600 -0.270 0.000 1.331 293 S CA -0.003 58.056 58.200 -0.236 0.000 1.047 293 S CB 0.409 63.434 63.200 -0.292 0.000 0.859 293 S HN 0.561 nan 8.310 nan 0.000 0.514 294 L N 2.223 123.304 121.223 -0.238 0.000 3.520 294 L HA 0.580 4.923 4.340 0.006 0.000 0.323 294 L C -0.894 175.827 176.870 -0.248 0.000 1.246 294 L CA -0.565 54.136 54.840 -0.232 0.000 1.085 294 L CB 0.195 42.265 42.059 0.019 0.000 1.477 294 L HN 0.331 nan 8.230 nan 0.000 0.624 295 V N 1.732 121.485 119.914 -0.268 0.000 2.630 295 V HA 0.863 4.987 4.120 0.006 0.000 0.305 295 V C 0.236 176.135 176.094 -0.325 0.000 1.046 295 V CA 0.056 62.213 62.300 -0.238 0.000 0.934 295 V CB 1.622 33.349 31.823 -0.160 0.000 1.003 295 V HN 0.345 nan 8.190 nan 0.000 0.451 296 A N 3.051 125.693 122.820 -0.297 0.000 2.684 296 A HA 0.667 4.990 4.320 0.006 0.000 0.289 296 A C -0.714 176.774 177.584 -0.159 0.000 1.139 296 A CA -0.639 51.246 52.037 -0.255 0.000 0.793 296 A CB 0.614 19.337 19.000 -0.462 0.000 1.334 296 A HN 0.845 nan 8.150 nan 0.000 0.408 297 D N 1.466 121.822 120.400 -0.073 0.000 2.636 297 D HA 0.866 5.510 4.640 0.006 0.000 0.236 297 D C 0.557 176.873 176.300 0.026 0.000 1.176 297 D CA 0.060 54.017 54.000 -0.071 0.000 1.081 297 D CB 0.883 41.663 40.800 -0.032 0.000 1.213 297 D HN 1.014 nan 8.370 nan 0.000 0.633 298 G N -1.976 106.852 108.800 0.048 0.000 2.494 298 G HA2 0.527 4.490 3.960 0.006 0.000 0.308 298 G HA3 0.527 4.490 3.960 0.006 0.000 0.308 298 G C -1.259 173.655 174.900 0.023 0.000 1.263 298 G CA -0.788 44.323 45.100 0.018 0.000 0.840 298 G HN 0.457 nan 8.290 nan 0.000 0.479 299 R N -1.239 119.272 120.500 0.017 0.000 2.869 299 R HA 0.701 5.044 4.340 0.006 0.000 0.263 299 R C -1.339 175.036 176.300 0.124 0.000 1.066 299 R CA -0.810 55.335 56.100 0.075 0.000 0.960 299 R CB 1.674 32.044 30.300 0.116 0.000 1.221 299 R HN 0.650 nan 8.270 nan 0.000 0.474 300 I N 1.081 121.728 120.570 0.128 0.000 2.545 300 I HA 0.288 4.461 4.170 0.006 0.000 0.292 300 I C -0.716 175.462 176.117 0.103 0.000 1.040 300 I CA -1.029 60.348 61.300 0.129 0.000 1.068 300 I CB 1.396 39.450 38.000 0.090 0.000 1.251 300 I HN 0.215 nan 8.210 nan 0.000 0.424 301 L N 6.375 127.660 121.223 0.103 0.000 2.410 301 L HA 0.142 4.486 4.340 0.006 0.000 0.273 301 L C 1.504 178.369 176.870 -0.008 0.000 1.152 301 L CA 0.435 55.272 54.840 -0.004 0.000 0.855 301 L CB 1.156 43.243 42.059 0.047 0.000 1.129 301 L HN 0.823 nan 8.230 nan 0.000 0.463 302 T N -1.634 112.880 114.554 -0.066 0.000 3.054 302 T HA 0.066 4.419 4.350 0.006 0.000 0.259 302 T C 0.732 175.419 174.700 -0.022 0.000 1.092 302 T CA 0.442 62.519 62.100 -0.037 0.000 1.121 302 T CB 0.175 69.001 68.868 -0.071 0.000 0.912 302 T HN 0.631 nan 8.240 nan 0.000 0.489 303 S N -0.151 115.541 115.700 -0.014 0.000 2.636 303 S HA 0.472 4.945 4.470 0.006 0.000 0.268 303 S C -2.117 172.503 174.600 0.033 0.000 1.159 303 S CA -1.197 57.012 58.200 0.015 0.000 0.815 303 S CB 0.995 64.211 63.200 0.026 0.000 1.130 303 S HN 0.052 nan 8.310 nan 0.000 0.471 304 D N 1.204 121.625 120.400 0.035 0.000 2.425 304 D HA 0.461 5.105 4.640 0.006 0.000 0.247 304 D C -0.944 175.411 176.300 0.093 0.000 1.147 304 D CA 0.953 54.975 54.000 0.037 0.000 0.879 304 D CB 0.110 40.917 40.800 0.011 0.000 1.179 304 D HN 0.518 nan 8.370 nan 0.000 0.456 305 Y N 0.623 120.839 120.300 -0.140 0.000 2.442 305 Y HA 0.180 4.733 4.550 0.006 0.000 0.330 305 Y C -1.027 174.778 175.900 -0.158 0.000 1.100 305 Y CA -1.020 56.937 58.100 -0.239 0.000 1.034 305 Y CB 1.345 39.501 38.460 -0.507 0.000 1.285 305 Y HN 0.302 nan 8.280 nan 0.000 0.440 306 E N 5.926 125.778 120.200 -0.579 0.000 2.152 306 E HA 0.320 4.674 4.350 0.006 0.000 0.285 306 E C -1.878 174.268 176.600 -0.756 0.000 1.043 306 E CA -0.384 55.715 56.400 -0.501 0.000 0.839 306 E CB 0.547 30.074 29.700 -0.289 0.000 1.069 306 E HN 0.463 nan 8.360 nan 0.000 0.399 307 F N 5.158 124.726 119.950 -0.636 0.000 2.499 307 F HA 0.248 4.779 4.527 0.006 0.000 0.333 307 F C -0.352 175.361 175.800 -0.145 0.000 1.138 307 F CA -0.556 57.193 58.000 -0.420 0.000 0.945 307 F CB 0.643 39.544 39.000 -0.166 0.000 1.181 307 F HN 0.650 nan 8.300 nan 0.000 0.435 308 H N 3.924 122.701 119.070 -0.489 0.000 2.770 308 H HA -0.181 4.379 4.556 0.006 0.000 0.309 308 H C 1.373 176.555 175.328 -0.243 0.000 1.206 308 H CA 1.140 56.933 56.048 -0.425 0.000 1.147 308 H CB -1.114 28.294 29.762 -0.591 0.000 1.422 308 H HN 1.245 nan 8.280 nan 0.000 0.420 309 G N -1.080 107.618 108.800 -0.171 0.000 2.162 309 G HA2 -0.308 3.656 3.960 0.006 0.000 0.260 309 G HA3 -0.308 3.656 3.960 0.006 0.000 0.260 309 G C 0.244 175.100 174.900 -0.074 0.000 0.976 309 G CA 0.382 45.419 45.100 -0.104 0.000 0.655 309 G HN 0.474 nan 8.290 nan 0.000 0.533 310 V N 1.190 121.041 119.914 -0.105 0.000 2.495 310 V HA 0.472 4.595 4.120 0.006 0.000 0.298 310 V C 0.084 176.087 176.094 -0.151 0.000 1.031 310 V CA -1.051 61.179 62.300 -0.115 0.000 0.871 310 V CB 1.909 33.610 31.823 -0.204 0.000 0.988 310 V HN 0.258 nan 8.190 nan 0.000 0.432 311 Q N 4.868 124.632 119.800 -0.061 0.000 2.369 311 Q HA 0.407 4.751 4.340 0.006 0.000 0.247 311 Q C -0.688 175.348 176.000 0.060 0.000 1.083 311 Q CA 0.127 55.923 55.803 -0.011 0.000 0.905 311 Q CB 0.919 29.702 28.738 0.075 0.000 1.305 311 Q HN 0.572 nan 8.270 nan 0.000 0.465 312 L N 1.665 122.858 121.223 -0.050 0.000 2.357 312 L HA 0.480 4.823 4.340 0.006 0.000 0.273 312 L C 0.408 177.339 176.870 0.102 0.000 1.080 312 L CA -0.595 54.275 54.840 0.050 0.000 0.803 312 L CB 0.974 42.958 42.059 -0.126 0.000 1.174 312 L HN 0.269 nan 8.230 nan 0.000 0.443 313 K N 2.519 123.016 120.400 0.163 0.000 2.221 313 K HA 0.258 4.581 4.320 0.006 0.000 0.258 313 K C -0.393 176.239 176.600 0.052 0.000 0.944 313 K CA -0.833 55.436 56.287 -0.030 0.000 0.823 313 K CB 1.603 33.847 32.500 -0.426 0.000 1.113 313 K HN 0.454 nan 8.250 nan 0.000 0.431 314 K N 2.102 122.513 120.400 0.018 0.000 2.569 314 K HA -0.126 4.198 4.320 0.006 0.000 0.280 314 K C 0.628 177.270 176.600 0.070 0.000 0.984 314 K CA 1.803 58.112 56.287 0.037 0.000 1.064 314 K CB -0.069 32.440 32.500 0.016 0.000 0.866 314 K HN 0.843 nan 8.250 nan 0.000 0.492 315 G N 2.821 111.677 108.800 0.093 0.000 2.268 315 G HA2 -0.235 3.729 3.960 0.006 0.000 0.240 315 G HA3 -0.235 3.729 3.960 0.006 0.000 0.240 315 G C -0.346 174.669 174.900 0.192 0.000 1.010 315 G CA 0.237 45.408 45.100 0.117 0.000 0.618 315 G HN 0.753 nan 8.290 nan 0.000 0.516 316 D N 1.715 122.281 120.400 0.277 0.000 2.443 316 D HA 0.391 5.035 4.640 0.006 0.000 0.239 316 D C 0.849 177.385 176.300 0.394 0.000 1.136 316 D CA 0.544 54.814 54.000 0.449 0.000 0.879 316 D CB 0.530 41.776 40.800 0.744 0.000 1.195 316 D HN 0.517 nan 8.370 nan 0.000 0.443 317 Q N 0.938 120.953 119.800 0.359 0.000 2.235 317 Q HA 0.550 4.893 4.340 0.006 0.000 0.250 317 Q C -0.312 175.900 176.000 0.354 0.000 0.909 317 Q CA -0.528 55.429 55.803 0.257 0.000 0.910 317 Q CB 2.346 31.153 28.738 0.116 0.000 1.223 317 Q HN 0.470 nan 8.270 nan 0.000 0.432 318 I N 3.120 123.857 120.570 0.278 0.000 2.447 318 I HA 0.241 4.415 4.170 0.006 0.000 0.287 318 I C -1.426 174.753 176.117 0.102 0.000 1.023 318 I CA -1.105 60.369 61.300 0.291 0.000 1.083 318 I CB 1.045 39.212 38.000 0.278 0.000 1.245 318 I HN 0.506 nan 8.210 nan 0.000 0.434 319 L N 8.374 129.667 121.223 0.117 0.000 2.360 319 L HA 0.337 4.681 4.340 0.006 0.000 0.276 319 L C -1.020 175.863 176.870 0.022 0.000 1.121 319 L CA 0.439 55.302 54.840 0.038 0.000 0.845 319 L CB 0.585 42.698 42.059 0.089 0.000 1.143 319 L HN 0.557 nan 8.230 nan 0.000 0.452 320 L N 7.689 128.889 121.223 -0.038 0.000 2.495 320 L HA 0.376 4.719 4.340 0.006 0.000 0.248 320 L C -2.214 174.694 176.870 0.063 0.000 1.229 320 L CA -1.700 53.078 54.840 -0.103 0.000 0.942 320 L CB 0.941 42.704 42.059 -0.493 0.000 1.242 320 L HN 0.497 nan 8.230 nan 0.000 0.484 321 P HA 0.061 nan 4.420 nan 0.000 0.264 321 P C 0.276 177.545 177.300 -0.051 0.000 1.236 321 P CA 0.022 63.102 63.100 -0.034 0.000 0.811 321 P CB 0.832 32.515 31.700 -0.028 0.000 0.840 322 Q N 2.700 122.470 119.800 -0.050 0.000 2.197 322 Q HA -0.207 4.137 4.340 0.006 0.000 0.207 322 Q C 1.885 177.798 176.000 -0.144 0.000 0.984 322 Q CA 1.657 57.418 55.803 -0.070 0.000 0.869 322 Q CB -0.544 28.121 28.738 -0.121 0.000 0.906 322 Q HN 0.526 nan 8.270 nan 0.000 0.426 323 M N -0.388 119.065 119.600 -0.246 0.000 2.202 323 M HA -0.187 4.297 4.480 0.006 0.000 0.262 323 M C 1.375 177.548 176.300 -0.213 0.000 1.063 323 M CA 1.473 56.595 55.300 -0.298 0.000 1.097 323 M CB 0.048 32.347 32.600 -0.501 0.000 1.382 323 M HN 0.286 nan 8.290 nan 0.000 0.413 324 L N -0.523 120.604 121.223 -0.160 0.000 2.240 324 L HA -0.107 4.237 4.340 0.006 0.000 0.211 324 L C 2.362 179.177 176.870 -0.092 0.000 1.106 324 L CA 0.682 55.460 54.840 -0.104 0.000 0.793 324 L CB -0.440 41.580 42.059 -0.065 0.000 0.927 324 L HN 0.330 nan 8.230 nan 0.000 0.446 325 S N 0.296 115.948 115.700 -0.080 0.000 2.368 325 S HA -0.141 4.333 4.470 0.006 0.000 0.225 325 S C 1.952 176.515 174.600 -0.063 0.000 1.030 325 S CA 1.365 59.522 58.200 -0.072 0.000 0.999 325 S CB -0.545 62.615 63.200 -0.068 0.000 0.844 325 S HN 0.593 nan 8.310 nan 0.000 0.459 326 G N 0.851 109.619 108.800 -0.053 0.000 2.572 326 G HA2 0.076 4.040 3.960 0.006 0.000 0.216 326 G HA3 0.076 4.040 3.960 0.006 0.000 0.216 326 G C 1.142 175.993 174.900 -0.081 0.000 1.133 326 G CA 0.117 45.196 45.100 -0.036 0.000 0.791 326 G HN 0.456 nan 8.290 nan 0.000 0.538 327 L N 0.161 121.321 121.223 -0.104 0.000 2.529 327 L HA 0.181 4.524 4.340 0.006 0.000 0.223 327 L C 0.646 177.460 176.870 -0.093 0.000 1.113 327 L CA -0.289 54.483 54.840 -0.114 0.000 0.861 327 L CB 0.018 42.006 42.059 -0.119 0.000 1.012 327 L HN 0.015 nan 8.230 nan 0.000 0.461 328 D N 1.658 122.008 120.400 -0.084 0.000 2.417 328 D HA -0.092 4.552 4.640 0.006 0.000 0.250 328 D C 1.308 177.563 176.300 -0.075 0.000 1.166 328 D CA 0.094 54.046 54.000 -0.080 0.000 0.881 328 D CB 1.087 41.839 40.800 -0.081 0.000 1.164 328 D HN 0.341 nan 8.370 nan 0.000 0.467 329 E N 3.858 124.014 120.200 -0.074 0.000 2.338 329 E HA -0.190 4.163 4.350 0.006 0.000 0.197 329 E C 0.986 177.550 176.600 -0.059 0.000 1.007 329 E CA 0.574 56.932 56.400 -0.070 0.000 0.849 329 E CB -0.010 29.647 29.700 -0.071 0.000 0.774 329 E HN 0.460 nan 8.360 nan 0.000 0.506 330 R N 0.404 120.868 120.500 -0.060 0.000 2.280 330 R HA 0.023 4.366 4.340 0.006 0.000 0.207 330 R C 1.603 177.874 176.300 -0.049 0.000 1.043 330 R CA 1.005 57.073 56.100 -0.053 0.000 1.006 330 R CB 0.093 30.358 30.300 -0.058 0.000 0.885 330 R HN 0.364 nan 8.270 nan 0.000 0.467 331 E N -0.283 119.886 120.200 -0.052 0.000 2.290 331 E HA 0.116 4.469 4.350 0.006 0.000 0.199 331 E C -0.074 176.504 176.600 -0.036 0.000 0.912 331 E CA 0.234 56.608 56.400 -0.044 0.000 0.924 331 E CB 0.556 30.227 29.700 -0.049 0.000 0.901 331 E HN 0.188 nan 8.360 nan 0.000 0.487 332 N N 0.715 119.390 118.700 -0.042 0.000 2.430 332 N HA 0.317 5.060 4.740 0.006 0.000 0.290 332 N C -1.070 174.412 175.510 -0.048 0.000 1.063 332 N CA -0.170 52.858 53.050 -0.036 0.000 0.883 332 N CB 2.137 40.603 38.487 -0.035 0.000 1.465 332 N HN -0.014 nan 8.380 nan 0.000 0.493 333 A N 0.621 123.417 122.820 -0.039 0.000 2.483 333 A HA 0.227 4.551 4.320 0.006 0.000 0.238 333 A C 0.720 178.259 177.584 -0.074 0.000 1.070 333 A CA -0.046 51.960 52.037 -0.052 0.000 0.770 333 A CB -0.227 18.753 19.000 -0.032 0.000 1.008 333 A HN 0.963 nan 8.150 nan 0.000 0.497 334 C N 2.113 121.337 119.300 -0.127 0.000 3.112 334 C HA -0.099 4.364 4.460 0.006 0.000 0.265 334 C C -0.430 174.443 174.990 -0.195 0.000 1.283 334 C CA -0.056 58.811 59.018 -0.250 0.000 2.378 334 C CB -2.366 25.164 27.740 -0.351 0.000 1.500 334 C HN 0.856 nan 8.230 nan 0.000 0.483 335 P HA -0.174 nan 4.420 nan 0.000 0.218 335 P C 1.519 178.734 177.300 -0.141 0.000 1.149 335 P CA 1.604 64.629 63.100 -0.125 0.000 0.817 335 P CB -0.006 31.625 31.700 -0.114 0.000 0.785 336 M N -1.663 117.851 119.600 -0.143 0.000 2.476 336 M HA -0.005 4.479 4.480 0.006 0.000 0.262 336 M C 0.558 176.845 176.300 -0.022 0.000 1.079 336 M CA 0.766 56.001 55.300 -0.109 0.000 1.104 336 M CB -1.824 30.741 32.600 -0.059 0.000 1.409 336 M HN 0.003 nan 8.290 nan 0.000 0.467 337 H N 0.435 119.445 119.070 -0.100 0.000 2.722 337 H HA 0.276 4.836 4.556 0.006 0.000 0.328 337 H C -0.390 174.861 175.328 -0.128 0.000 1.067 337 H CA -0.587 55.418 56.048 -0.072 0.000 1.447 337 H CB 0.487 30.232 29.762 -0.029 0.000 1.469 337 H HN -0.162 nan 8.280 nan 0.000 0.544 338 V N 4.310 124.186 119.914 -0.063 0.000 2.385 338 V HA 0.088 4.212 4.120 0.006 0.000 0.269 338 V C 0.298 176.365 176.094 -0.045 0.000 1.043 338 V CA -0.331 61.845 62.300 -0.207 0.000 0.906 338 V CB 0.987 32.428 31.823 -0.638 0.000 0.995 338 V HN 0.707 nan 8.190 nan 0.000 0.467 339 D N 4.196 124.589 120.400 -0.011 0.000 2.421 339 D HA 0.349 4.993 4.640 0.006 0.000 0.254 339 D C 0.429 176.818 176.300 0.148 0.000 1.238 339 D CA -0.553 53.466 54.000 0.032 0.000 0.919 339 D CB 0.977 41.813 40.800 0.060 0.000 1.152 339 D HN 0.215 nan 8.370 nan 0.000 0.552 340 F N 1.220 121.267 119.950 0.161 0.000 2.408 340 F HA -0.024 4.507 4.527 0.006 0.000 0.300 340 F C 2.201 178.056 175.800 0.092 0.000 1.090 340 F CA 0.432 58.511 58.000 0.132 0.000 1.427 340 F CB -0.542 38.557 39.000 0.164 0.000 1.070 340 F HN 0.277 nan 8.300 nan 0.000 0.549 341 S N -0.767 115.066 115.700 0.221 0.000 2.605 341 S HA 0.052 4.526 4.470 0.006 0.000 0.217 341 S C 0.879 175.545 174.600 0.110 0.000 0.958 341 S CA -0.511 57.775 58.200 0.143 0.000 0.919 341 S CB -0.342 62.917 63.200 0.098 0.000 0.780 341 S HN 0.190 nan 8.310 nan 0.000 0.507 342 R N 1.835 122.408 120.500 0.121 0.000 2.494 342 R HA -0.064 4.280 4.340 0.006 0.000 0.291 342 R C 1.393 177.739 176.300 0.077 0.000 0.953 342 R CA 0.291 56.444 56.100 0.088 0.000 1.098 342 R CB 0.253 30.605 30.300 0.086 0.000 0.911 342 R HN 0.179 nan 8.270 nan 0.000 0.407 343 Q N 2.774 122.608 119.800 0.057 0.000 2.046 343 Q HA -0.059 4.285 4.340 0.006 0.000 0.200 343 Q C -0.211 175.814 176.000 0.043 0.000 0.975 343 Q CA 1.655 57.487 55.803 0.048 0.000 0.836 343 Q CB 0.421 29.181 28.738 0.036 0.000 0.896 343 Q HN 0.298 nan 8.270 nan 0.000 0.428 344 K N 0.641 121.063 120.400 0.036 0.000 2.540 344 K HA 0.283 4.607 4.320 0.006 0.000 0.218 344 K C -1.512 175.106 176.600 0.031 0.000 1.017 344 K CA -0.432 55.871 56.287 0.028 0.000 1.029 344 K CB 1.519 34.028 32.500 0.015 0.000 1.348 344 K HN -0.064 nan 8.250 nan 0.000 0.508 345 V N 1.943 121.886 119.914 0.048 0.000 2.397 345 V HA 0.053 4.176 4.120 0.006 0.000 0.262 345 V C 0.700 176.817 176.094 0.039 0.000 1.047 345 V CA -0.067 62.276 62.300 0.072 0.000 1.003 345 V CB 0.649 32.545 31.823 0.122 0.000 1.037 345 V HN 0.510 nan 8.190 nan 0.000 0.480 346 S N 5.149 120.861 115.700 0.020 0.000 2.429 346 S HA 0.711 5.184 4.470 0.006 0.000 0.302 346 S C -0.560 174.034 174.600 -0.010 0.000 1.115 346 S CA -0.528 57.648 58.200 -0.041 0.000 1.095 346 S CB 0.196 63.377 63.200 -0.032 0.000 0.987 346 S HN 1.083 nan 8.310 nan 0.000 0.474 347 H N 0.063 119.116 119.070 -0.028 0.000 2.932 347 H HA 0.549 5.109 4.556 0.006 0.000 0.307 347 H C -0.421 174.882 175.328 -0.041 0.000 1.391 347 H CA -0.469 55.541 56.048 -0.062 0.000 1.130 347 H CB 0.758 30.462 29.762 -0.096 0.000 1.836 347 H HN 0.283 nan 8.280 nan 0.000 0.522 348 T N -2.702 111.938 114.554 0.142 0.000 3.415 348 T HA 0.180 4.533 4.350 0.006 0.000 0.282 348 T C 0.419 175.169 174.700 0.082 0.000 1.007 348 T CA 0.082 62.245 62.100 0.104 0.000 0.958 348 T CB -0.438 68.438 68.868 0.014 0.000 1.171 348 T HN 0.608 nan 8.240 nan 0.000 0.500 349 T N 1.308 115.969 114.554 0.178 0.000 2.788 349 T HA 0.049 4.402 4.350 0.006 0.000 0.268 349 T C 0.357 174.825 174.700 -0.388 0.000 1.044 349 T CA 1.227 63.141 62.100 -0.310 0.000 1.139 349 T CB -0.369 68.022 68.868 -0.796 0.000 0.867 349 T HN 0.499 nan 8.240 nan 0.000 0.454 350 F N 1.204 121.148 119.950 -0.009 0.000 2.713 350 F HA 0.476 5.007 4.527 0.005 0.000 0.294 350 F C 1.530 177.285 175.800 -0.074 0.000 1.152 350 F CA -0.310 57.652 58.000 -0.064 0.000 1.385 350 F CB -0.453 38.511 39.000 -0.060 0.000 0.981 350 F HN 0.274 nan 8.300 nan 0.000 0.514 351 G N 0.154 108.969 108.800 0.025 0.000 2.660 351 G HA2 -0.118 3.845 3.960 0.006 0.000 0.215 351 G HA3 -0.118 3.845 3.960 0.006 0.000 0.215 351 G C -1.402 173.486 174.900 -0.019 0.000 1.345 351 G CA -0.603 44.425 45.100 -0.120 0.000 0.877 351 G HN 0.544 nan 8.290 nan 0.000 0.549 352 H N -1.097 117.817 119.070 -0.260 0.000 3.079 352 H HA 0.669 5.229 4.556 0.006 0.000 0.356 352 H C 0.586 175.907 175.328 -0.012 0.000 1.221 352 H CA 1.841 57.835 56.048 -0.090 0.000 1.185 352 H CB 1.286 31.036 29.762 -0.020 0.000 1.882 352 H HN 2.639 nan 8.280 nan 0.000 0.543 353 G N 1.097 109.674 108.800 -0.371 0.000 2.542 353 G HA2 -0.281 3.682 3.960 0.006 0.000 0.235 353 G HA3 -0.281 3.682 3.960 0.006 0.000 0.235 353 G C 1.201 176.091 174.900 -0.016 0.000 1.286 353 G CA 0.635 45.682 45.100 -0.088 0.000 0.904 353 G HN 1.401 nan 8.290 nan 0.000 0.577 354 S N -0.903 114.833 115.700 0.061 0.000 2.469 354 S HA -0.081 4.392 4.470 0.006 0.000 0.238 354 S C 1.336 175.822 174.600 -0.190 0.000 0.998 354 S CA 1.961 60.114 58.200 -0.078 0.000 0.957 354 S CB -0.303 62.791 63.200 -0.176 0.000 0.764 354 S HN 0.760 nan 8.310 nan 0.000 0.514 355 H N 0.532 119.596 119.070 -0.011 0.000 2.505 355 H HA 0.384 4.943 4.556 0.006 0.000 0.289 355 H C 0.073 175.379 175.328 -0.037 0.000 1.052 355 H CA -0.442 55.599 56.048 -0.011 0.000 1.156 355 H CB -0.036 29.735 29.762 0.015 0.000 1.507 355 H HN 0.354 nan 8.280 nan 0.000 0.548 356 L N 1.529 122.763 121.223 0.017 0.000 2.653 356 L HA -0.136 4.208 4.340 0.006 0.000 0.288 356 L C 0.963 177.831 176.870 -0.004 0.000 1.243 356 L CA 0.087 54.924 54.840 -0.005 0.000 0.906 356 L CB 0.313 42.349 42.059 -0.039 0.000 1.154 356 L HN 0.377 nan 8.230 nan 0.000 0.498 357 C N 4.962 124.268 119.300 0.010 0.000 2.611 357 C HA 0.025 4.489 4.460 0.006 0.000 0.416 357 C C 1.725 176.646 174.990 -0.115 0.000 1.366 357 C CA -0.339 58.673 59.018 -0.011 0.000 1.761 357 C CB -0.544 27.231 27.740 0.058 0.000 2.619 357 C HN 0.806 nan 8.230 nan 0.000 0.606 358 L N 4.602 125.787 121.223 -0.064 0.000 2.446 358 L HA 0.194 4.537 4.340 0.006 0.000 0.219 358 L C 2.325 179.134 176.870 -0.101 0.000 1.116 358 L CA 1.116 55.920 54.840 -0.061 0.000 0.844 358 L CB -0.265 41.797 42.059 0.005 0.000 0.970 358 L HN 0.990 nan 8.230 nan 0.000 0.457 359 G N -0.694 108.032 108.800 -0.123 0.000 3.284 359 G HA2 -0.031 3.932 3.960 0.006 0.000 0.236 359 G HA3 -0.031 3.932 3.960 0.006 0.000 0.236 359 G C 1.302 176.042 174.900 -0.267 0.000 1.158 359 G CA -0.114 44.920 45.100 -0.109 0.000 0.774 359 G HN 0.481 nan 8.290 nan 0.000 0.545 360 Q N -0.125 119.304 119.800 -0.617 0.000 2.124 360 Q HA -0.178 4.166 4.340 0.006 0.000 0.202 360 Q C 1.751 177.286 176.000 -0.775 0.000 0.977 360 Q CA 1.236 56.335 55.803 -1.175 0.000 0.850 360 Q CB -0.559 27.013 28.738 -1.943 0.000 0.901 360 Q HN 0.482 nan 8.270 nan 0.000 0.429 361 H N 0.622 119.528 119.070 -0.274 0.000 2.357 361 H HA -0.074 4.486 4.556 0.006 0.000 0.301 361 H C 2.245 177.530 175.328 -0.071 0.000 1.082 361 H CA 1.384 57.348 56.048 -0.140 0.000 1.342 361 H CB -0.259 29.444 29.762 -0.097 0.000 1.389 361 H HN 0.265 nan 8.280 nan 0.000 0.511 362 L N 1.296 122.534 121.223 0.026 0.000 2.017 362 L HA -0.070 4.274 4.340 0.006 0.000 0.208 362 L C 2.578 179.468 176.870 0.034 0.000 1.073 362 L CA 1.859 56.719 54.840 0.032 0.000 0.745 362 L CB -0.875 41.203 42.059 0.032 0.000 0.894 362 L HN 0.182 nan 8.230 nan 0.000 0.432 363 A N -0.400 122.426 122.820 0.011 0.000 1.877 363 A HA -0.218 4.106 4.320 0.006 0.000 0.216 363 A C 2.444 180.103 177.584 0.125 0.000 1.186 363 A CA 1.831 53.919 52.037 0.085 0.000 0.620 363 A CB -0.588 18.506 19.000 0.156 0.000 0.822 363 A HN 0.501 nan 8.150 nan 0.000 0.443 364 R N -1.196 119.354 120.500 0.084 0.000 2.083 364 R HA -0.166 4.178 4.340 0.006 0.000 0.237 364 R C 2.489 178.874 176.300 0.140 0.000 1.137 364 R CA 1.681 57.855 56.100 0.124 0.000 0.951 364 R CB -0.316 30.039 30.300 0.091 0.000 0.851 364 R HN 0.473 nan 8.270 nan 0.000 0.434 365 R N 1.629 122.202 120.500 0.122 0.000 2.080 365 R HA -0.165 4.178 4.340 0.006 0.000 0.236 365 R C 1.762 178.185 176.300 0.205 0.000 1.137 365 R CA 2.005 58.189 56.100 0.140 0.000 0.943 365 R CB -0.354 30.014 30.300 0.112 0.000 0.846 365 R HN 0.301 nan 8.270 nan 0.000 0.431 366 E N -0.368 119.966 120.200 0.225 0.000 2.085 366 E HA -0.191 4.163 4.350 0.006 0.000 0.194 366 E C 2.068 178.942 176.600 0.457 0.000 0.994 366 E CA 1.670 58.305 56.400 0.392 0.000 0.801 366 E CB -0.228 29.597 29.700 0.208 0.000 0.743 366 E HN 0.389 nan 8.360 nan 0.000 0.453 367 I N 0.706 121.478 120.570 0.337 0.000 2.202 367 I HA -0.267 3.906 4.170 0.006 0.000 0.242 367 I C 2.301 178.560 176.117 0.237 0.000 1.091 367 I CA 1.033 62.531 61.300 0.330 0.000 1.368 367 I CB -0.154 38.055 38.000 0.348 0.000 1.058 367 I HN 0.080 nan 8.210 nan 0.000 0.410 368 I N -0.217 120.468 120.570 0.193 0.000 2.142 368 I HA -0.267 3.906 4.170 0.006 0.000 0.240 368 I C 2.523 178.717 176.117 0.129 0.000 1.078 368 I CA 1.232 62.612 61.300 0.134 0.000 1.343 368 I CB -0.345 37.723 38.000 0.113 0.000 1.046 368 I HN -0.008 nan 8.210 nan 0.000 0.405 369 V N 0.464 120.478 119.914 0.167 0.000 2.332 369 V HA -0.321 3.802 4.120 0.006 0.000 0.248 369 V C 2.502 178.659 176.094 0.104 0.000 1.055 369 V CA 2.541 64.931 62.300 0.150 0.000 1.038 369 V CB -0.921 31.036 31.823 0.224 0.000 0.651 369 V HN 0.491 nan 8.190 nan 0.000 0.450 370 T N 0.341 114.970 114.554 0.125 0.000 2.652 370 T HA -0.170 4.183 4.350 0.006 0.000 0.267 370 T C 1.885 176.611 174.700 0.044 0.000 1.039 370 T CA 1.762 63.893 62.100 0.052 0.000 1.153 370 T CB -0.347 68.619 68.868 0.164 0.000 0.863 370 T HN 0.281 nan 8.240 nan 0.000 0.428 371 L N 0.459 121.718 121.223 0.060 0.000 1.990 371 L HA -0.199 4.144 4.340 0.006 0.000 0.213 371 L C 2.777 179.685 176.870 0.064 0.000 1.072 371 L CA 1.684 56.548 54.840 0.041 0.000 0.755 371 L CB -0.526 41.553 42.059 0.032 0.000 0.889 371 L HN 0.255 nan 8.230 nan 0.000 0.432 372 K N -0.382 120.053 120.400 0.058 0.000 1.991 372 K HA -0.190 4.133 4.320 0.006 0.000 0.212 372 K C 2.066 178.691 176.600 0.041 0.000 1.049 372 K CA 1.463 57.779 56.287 0.049 0.000 0.932 372 K CB -0.104 32.425 32.500 0.047 0.000 0.717 372 K HN 0.210 nan 8.250 nan 0.000 0.441 373 E N -0.161 120.059 120.200 0.033 0.000 2.204 373 E HA -0.186 4.168 4.350 0.006 0.000 0.194 373 E C 1.595 178.177 176.600 -0.031 0.000 0.989 373 E CA 0.659 57.056 56.400 -0.004 0.000 0.824 373 E CB -0.138 29.555 29.700 -0.011 0.000 0.756 373 E HN 0.489 nan 8.360 nan 0.000 0.477 374 W N 0.921 122.098 121.300 -0.204 0.000 2.441 374 W HA -0.023 4.640 4.660 0.005 0.000 0.302 374 W C 1.723 178.115 176.519 -0.211 0.000 1.191 374 W CA 0.673 57.842 57.345 -0.294 0.000 1.327 374 W CB -0.236 28.981 29.460 -0.404 0.000 1.128 374 W HN 0.021 nan 8.180 nan 0.000 0.522 375 L N 0.430 121.766 121.223 0.189 0.000 2.201 375 L HA -0.193 4.151 4.340 0.006 0.000 0.212 375 L C 2.374 179.263 176.870 0.032 0.000 1.105 375 L CA 1.418 56.355 54.840 0.161 0.000 0.775 375 L CB -0.983 41.171 42.059 0.157 0.000 0.913 375 L HN -0.150 nan 8.230 nan 0.000 0.440 376 T N -0.494 114.053 114.554 -0.013 0.000 2.708 376 T HA -0.160 4.193 4.350 0.006 0.000 0.266 376 T C 2.036 176.678 174.700 -0.096 0.000 1.037 376 T CA 1.368 63.443 62.100 -0.041 0.000 1.146 376 T CB -0.057 68.786 68.868 -0.041 0.000 0.865 376 T HN 0.346 nan 8.240 nan 0.000 0.435 377 R N 0.174 120.561 120.500 -0.188 0.000 2.112 377 R HA 0.282 4.626 4.340 0.006 0.000 0.216 377 R C 0.684 176.783 176.300 -0.334 0.000 1.080 377 R CA 0.739 56.683 56.100 -0.260 0.000 0.996 377 R CB 0.216 30.319 30.300 -0.328 0.000 0.902 377 R HN 0.329 nan 8.270 nan 0.000 0.449 378 I N 2.220 122.513 120.570 -0.462 0.000 2.925 378 I HA 0.180 4.353 4.170 0.006 0.000 0.296 378 I C -1.946 174.129 176.117 -0.070 0.000 1.413 378 I CA -1.611 59.389 61.300 -0.501 0.000 0.932 378 I CB 1.796 39.068 38.000 -1.214 0.000 1.873 378 I HN -0.118 nan 8.210 nan 0.000 0.619 379 P HA -0.121 nan 4.420 nan 0.000 0.220 379 P C 0.182 177.572 177.300 0.150 0.000 1.148 379 P CA 1.316 64.489 63.100 0.122 0.000 0.803 379 P CB 0.264 31.992 31.700 0.045 0.000 0.782 380 D N -0.569 119.916 120.400 0.140 0.000 2.492 380 D HA 0.471 5.115 4.640 0.006 0.000 0.248 380 D C -0.974 175.478 176.300 0.253 0.000 1.101 380 D CA -0.772 53.276 54.000 0.079 0.000 0.840 380 D CB 0.859 41.687 40.800 0.046 0.000 1.209 380 D HN -0.084 nan 8.370 nan 0.000 0.524 381 F N 0.488 120.492 119.950 0.090 0.000 2.693 381 F HA 0.768 5.299 4.527 0.006 0.000 0.309 381 F C -1.243 174.628 175.800 0.118 0.000 1.129 381 F CA -0.880 57.235 58.000 0.191 0.000 0.948 381 F CB 1.201 40.324 39.000 0.205 0.000 1.315 381 F HN 0.150 nan 8.300 nan 0.000 0.447 382 S N 1.323 117.183 115.700 0.267 0.000 2.661 382 S HA 0.670 5.144 4.470 0.006 0.000 0.285 382 S C -0.895 173.818 174.600 0.188 0.000 1.138 382 S CA -0.853 57.411 58.200 0.107 0.000 0.855 382 S CB 1.772 65.012 63.200 0.068 0.000 1.136 382 S HN 0.589 nan 8.310 nan 0.000 0.484 383 I N 1.941 122.566 120.570 0.090 0.000 2.696 383 I HA 0.231 4.405 4.170 0.006 0.000 0.284 383 I C 0.984 177.149 176.117 0.080 0.000 1.129 383 I CA -0.370 60.983 61.300 0.088 0.000 1.410 383 I CB 0.311 38.335 38.000 0.039 0.000 1.399 383 I HN 0.769 nan 8.210 nan 0.000 0.579 384 A N 8.036 130.904 122.820 0.080 0.000 2.531 384 A HA 0.271 4.595 4.320 0.006 0.000 0.236 384 A C -2.105 175.499 177.584 0.035 0.000 1.062 384 A CA -0.803 51.266 52.037 0.054 0.000 0.760 384 A CB -0.877 18.149 19.000 0.044 0.000 0.995 384 A HN 0.493 nan 8.150 nan 0.000 0.501 385 P HA 0.149 nan 4.420 nan 0.000 0.261 385 P C 1.193 178.501 177.300 0.014 0.000 1.173 385 P CA 1.962 65.072 63.100 0.016 0.000 0.760 385 P CB 0.387 32.093 31.700 0.010 0.000 0.783 386 G N 2.416 111.222 108.800 0.011 0.000 2.304 386 G HA2 -0.299 3.665 3.960 0.006 0.000 0.252 386 G HA3 -0.299 3.665 3.960 0.006 0.000 0.252 386 G C 0.520 175.428 174.900 0.013 0.000 1.014 386 G CA 0.113 45.219 45.100 0.010 0.000 0.619 386 G HN 0.888 nan 8.290 nan 0.000 0.525 387 A N 0.617 123.448 122.820 0.018 0.000 2.566 387 A HA 0.466 4.789 4.320 0.006 0.000 0.245 387 A C 0.637 178.230 177.584 0.016 0.000 1.056 387 A CA 0.789 52.839 52.037 0.021 0.000 0.757 387 A CB 0.201 19.220 19.000 0.031 0.000 0.979 387 A HN 0.378 nan 8.150 nan 0.000 0.508 388 Q N 2.694 122.501 119.800 0.013 0.000 2.503 388 Q HA 0.235 4.579 4.340 0.006 0.000 0.227 388 Q C -0.192 175.811 176.000 0.005 0.000 1.109 388 Q CA -0.294 55.512 55.803 0.006 0.000 0.922 388 Q CB 0.449 29.191 28.738 0.006 0.000 1.249 388 Q HN 0.612 nan 8.270 nan 0.000 0.530 389 I N 2.369 122.937 120.570 -0.003 0.000 2.598 389 I HA -0.031 4.143 4.170 0.006 0.000 0.284 389 I C 0.642 176.739 176.117 -0.034 0.000 1.140 389 I CA 0.330 61.631 61.300 0.002 0.000 1.420 389 I CB -0.066 37.942 38.000 0.013 0.000 1.387 389 I HN 0.336 nan 8.210 nan 0.000 0.553 390 Q N 5.973 125.790 119.800 0.029 0.000 2.293 390 Q HA 0.428 4.772 4.340 0.006 0.000 0.261 390 Q C -0.712 175.408 176.000 0.199 0.000 0.960 390 Q CA -0.456 55.379 55.803 0.054 0.000 0.882 390 Q CB 1.933 30.711 28.738 0.067 0.000 1.275 390 Q HN 0.569 nan 8.270 nan 0.000 0.445 391 H N 0.707 119.851 119.070 0.124 0.000 2.544 391 H HA 0.500 5.060 4.556 0.006 0.000 0.342 391 H C -0.823 174.597 175.328 0.154 0.000 1.185 391 H CA -1.098 55.057 56.048 0.178 0.000 1.264 391 H CB 1.338 31.276 29.762 0.293 0.000 1.607 391 H HN 0.321 nan 8.280 nan 0.000 0.550 392 K N 0.507 121.082 120.400 0.291 0.000 2.464 392 K HA 0.389 4.712 4.320 0.006 0.000 0.253 392 K C -1.048 175.698 176.600 0.242 0.000 0.933 392 K CA -0.731 55.685 56.287 0.214 0.000 0.801 392 K CB 2.481 35.072 32.500 0.150 0.000 1.271 392 K HN 0.309 nan 8.250 nan 0.000 0.430 393 S N 0.323 116.166 115.700 0.238 0.000 2.593 393 S HA 0.908 5.382 4.470 0.006 0.000 0.297 393 S C -0.307 174.426 174.600 0.223 0.000 1.112 393 S CA 0.199 58.569 58.200 0.284 0.000 1.043 393 S CB 1.079 64.459 63.200 0.300 0.000 1.054 393 S HN 0.824 nan 8.310 nan 0.000 0.516 394 G N 2.076 110.975 108.800 0.165 0.000 2.392 394 G HA2 0.196 4.159 3.960 0.006 0.000 0.260 394 G HA3 0.196 4.159 3.960 0.006 0.000 0.260 394 G C 0.213 175.058 174.900 -0.092 0.000 1.226 394 G CA -0.420 44.672 45.100 -0.013 0.000 0.913 394 G HN 0.534 nan 8.290 nan 0.000 0.483 395 I N 0.042 120.537 120.570 -0.124 0.000 2.286 395 I HA 0.009 4.182 4.170 0.006 0.000 0.248 395 I C 0.871 176.893 176.117 -0.160 0.000 1.115 395 I CA 1.499 62.651 61.300 -0.248 0.000 1.392 395 I CB -0.697 37.023 38.000 -0.467 0.000 1.065 395 I HN 0.026 nan 8.210 nan 0.000 0.418 396 V N 0.740 120.620 119.914 -0.056 0.000 2.487 396 V HA 0.289 4.413 4.120 0.006 0.000 0.298 396 V C 0.115 176.231 176.094 0.037 0.000 1.028 396 V CA -0.511 61.774 62.300 -0.025 0.000 0.860 396 V CB 1.903 33.733 31.823 0.012 0.000 0.991 396 V HN 0.088 nan 8.190 nan 0.000 0.427 397 S N 2.380 118.110 115.700 0.050 0.000 2.646 397 S HA 0.886 5.360 4.470 0.006 0.000 0.276 397 S C 0.397 175.152 174.600 0.258 0.000 1.222 397 S CA 0.051 58.348 58.200 0.161 0.000 1.014 397 S CB 1.767 65.047 63.200 0.133 0.000 0.991 397 S HN 1.122 nan 8.310 nan 0.000 0.533 398 G N -0.182 108.743 108.800 0.209 0.000 2.827 398 G HA2 0.589 4.552 3.960 0.006 0.000 0.296 398 G HA3 0.589 4.552 3.960 0.006 0.000 0.296 398 G C -1.768 172.994 174.900 -0.230 0.000 1.362 398 G CA -0.479 44.585 45.100 -0.061 0.000 0.809 398 G HN 0.611 nan 8.290 nan 0.000 0.522 399 V N 0.711 120.383 119.914 -0.404 0.000 2.417 399 V HA 0.285 4.409 4.120 0.006 0.000 0.291 399 V C 1.099 177.163 176.094 -0.050 0.000 1.024 399 V CA -0.292 61.875 62.300 -0.221 0.000 0.861 399 V CB 1.422 33.018 31.823 -0.377 0.000 0.985 399 V HN 0.826 nan 8.190 nan 0.000 0.436 400 Q N 4.296 124.125 119.800 0.048 0.000 2.049 400 Q HA 0.196 4.539 4.340 0.006 0.000 0.198 400 Q C 0.543 176.566 176.000 0.037 0.000 0.971 400 Q CA 1.678 57.508 55.803 0.045 0.000 0.833 400 Q CB 0.207 28.984 28.738 0.065 0.000 0.896 400 Q HN 0.960 nan 8.270 nan 0.000 0.434 401 A N -0.662 122.188 122.820 0.050 0.000 2.574 401 A HA 0.613 4.937 4.320 0.006 0.000 0.297 401 A C -1.976 175.650 177.584 0.070 0.000 1.062 401 A CA -0.618 51.452 52.037 0.056 0.000 0.686 401 A CB 1.384 20.416 19.000 0.053 0.000 1.285 401 A HN 0.192 nan 8.150 nan 0.000 0.403 402 L N 2.807 124.088 121.223 0.097 0.000 2.514 402 L HA 0.482 4.826 4.340 0.006 0.000 0.257 402 L C -2.668 174.290 176.870 0.146 0.000 1.101 402 L CA -1.403 53.504 54.840 0.111 0.000 0.911 402 L CB 1.896 44.025 42.059 0.116 0.000 1.162 402 L HN 0.456 nan 8.230 nan 0.000 0.477 403 P HA 0.254 nan 4.420 nan 0.000 0.282 403 P C -0.919 176.470 177.300 0.148 0.000 1.274 403 P CA -0.002 63.171 63.100 0.122 0.000 0.770 403 P CB 1.101 32.848 31.700 0.078 0.000 0.867 404 L N 3.991 125.348 121.223 0.223 0.000 2.330 404 L HA 0.717 5.061 4.340 0.006 0.000 0.271 404 L C 0.516 177.561 176.870 0.292 0.000 1.013 404 L CA -1.174 53.860 54.840 0.323 0.000 0.816 404 L CB 2.178 44.526 42.059 0.481 0.000 1.287 404 L HN 0.231 nan 8.230 nan 0.000 0.435 405 V N -1.392 118.728 119.914 0.343 0.000 3.078 405 V HA 0.809 4.932 4.120 0.006 0.000 0.311 405 V C -1.682 174.683 176.094 0.452 0.000 1.138 405 V CA -0.630 61.753 62.300 0.139 0.000 1.007 405 V CB 1.801 33.643 31.823 0.032 0.000 1.045 405 V HN 0.992 nan 8.190 nan 0.000 0.432 406 W N 0.538 121.907 121.300 0.114 0.000 2.982 406 W HA 0.752 5.415 4.660 0.005 0.000 0.344 406 W C -1.930 174.625 176.519 0.059 0.000 1.215 406 W CA -0.574 56.837 57.345 0.110 0.000 1.182 406 W CB 0.860 30.410 29.460 0.150 0.000 1.437 406 W HN 0.741 nan 8.180 nan 0.000 0.570 407 D N 1.439 122.029 120.400 0.316 0.000 2.280 407 D HA 0.441 5.084 4.640 0.006 0.000 0.236 407 D C -1.596 174.867 176.300 0.272 0.000 1.082 407 D CA -2.576 51.525 54.000 0.168 0.000 0.834 407 D CB 2.328 43.193 40.800 0.109 0.000 1.100 407 D HN 0.035 nan 8.370 nan 0.000 0.486 408 P HA -0.112 nan 4.420 nan 0.000 0.218 408 P C 0.956 178.333 177.300 0.128 0.000 1.148 408 P CA 1.401 64.622 63.100 0.203 0.000 0.822 408 P CB 0.165 31.924 31.700 0.098 0.000 0.784 409 A N -0.388 122.486 122.820 0.090 0.000 2.024 409 A HA -0.183 4.140 4.320 0.006 0.000 0.220 409 A C 2.096 179.716 177.584 0.060 0.000 1.164 409 A CA 2.285 54.358 52.037 0.060 0.000 0.643 409 A CB -1.848 17.180 19.000 0.046 0.000 0.806 409 A HN 0.362 nan 8.150 nan 0.000 0.451 410 T N -2.438 112.168 114.554 0.087 0.000 3.148 410 T HA 0.123 4.476 4.350 0.006 0.000 0.253 410 T C 0.947 175.671 174.700 0.039 0.000 1.134 410 T CA 0.905 63.044 62.100 0.066 0.000 1.051 410 T CB -0.932 67.988 68.868 0.087 0.000 0.959 410 T HN 0.595 nan 8.240 nan 0.000 0.525 411 T N -0.422 114.155 114.554 0.038 0.000 2.849 411 T HA 0.626 4.980 4.350 0.006 0.000 0.276 411 T C -0.663 174.019 174.700 -0.029 0.000 0.971 411 T CA -0.856 61.228 62.100 -0.026 0.000 0.949 411 T CB 1.599 70.444 68.868 -0.038 0.000 1.093 411 T HN 0.270 nan 8.240 nan 0.000 0.545 412 K N -0.114 120.247 120.400 -0.064 0.000 2.553 412 K HA 0.638 4.961 4.320 0.006 0.000 0.250 412 K C -1.065 175.495 176.600 -0.067 0.000 0.953 412 K CA -0.474 55.783 56.287 -0.050 0.000 0.800 412 K CB 1.726 34.200 32.500 -0.044 0.000 1.243 412 K HN 0.942 nan 8.250 nan 0.000 0.435 413 A N 3.718 126.510 122.820 -0.046 0.000 2.309 413 A HA 0.602 4.926 4.320 0.006 0.000 0.290 413 A C -0.601 176.959 177.584 -0.040 0.000 1.206 413 A CA -0.383 51.626 52.037 -0.047 0.000 0.850 413 A CB 0.346 19.329 19.000 -0.029 0.000 1.118 413 A HN 0.467 nan 8.150 nan 0.000 0.523 414 V N 0.000 119.886 119.914 -0.047 0.000 2.409 414 V HA 0.000 4.123 4.120 0.006 0.000 0.244 414 V CA 0.000 62.279 62.300 -0.034 0.000 1.235 414 V CB 0.000 31.799 31.823 -0.040 0.000 1.184 414 V HN 0.000 nan 8.190 nan 0.000 0.556