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 2feu_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 HRQELIERPE 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 0.000 175.506 175.510 -0.006 0.000 1.280 10 N CA 0.000 53.047 53.050 -0.006 0.000 0.885 10 N CB 0.000 38.481 38.487 -0.010 0.000 1.341 11 L N 1.605 122.826 121.223 -0.005 0.000 2.272 11 L HA 0.835 5.177 4.340 0.003 0.000 0.289 11 L C 0.360 177.242 176.870 0.021 0.000 1.032 11 L CA -1.207 53.633 54.840 -0.000 0.000 0.810 11 L CB 0.960 43.015 42.059 -0.006 0.000 1.205 11 L HN 0.359 nan 8.230 nan 0.000 0.422 12 A N 6.168 129.011 122.820 0.038 0.000 2.425 12 A HA 0.561 4.883 4.320 0.003 0.000 0.249 12 A C -2.148 175.480 177.584 0.075 0.000 1.084 12 A CA -0.946 51.129 52.037 0.063 0.000 0.781 12 A CB -0.585 18.470 19.000 0.092 0.000 1.019 12 A HN 0.581 nan 8.150 nan 0.000 0.490 13 P HA 0.075 nan 4.420 nan 0.000 0.262 13 P C -0.282 177.031 177.300 0.022 0.000 1.182 13 P CA -0.100 63.017 63.100 0.028 0.000 0.761 13 P CB 0.259 31.970 31.700 0.018 0.000 0.795 14 L N 7.465 128.673 121.223 -0.024 0.000 2.534 14 L HA 0.173 4.515 4.340 0.003 0.000 0.271 14 L C -2.030 174.712 176.870 -0.213 0.000 1.178 14 L CA -1.167 53.589 54.840 -0.140 0.000 0.907 14 L CB -0.653 41.304 42.059 -0.170 0.000 1.164 14 L HN 0.336 nan 8.230 nan 0.000 0.482 15 P HA 0.143 nan 4.420 nan 0.000 0.269 15 P C -2.138 175.006 177.300 -0.260 0.000 1.215 15 P CA -0.895 62.045 63.100 -0.267 0.000 0.780 15 P CB 0.152 31.627 31.700 -0.375 0.000 0.898 16 P HA -0.208 nan 4.420 nan 0.000 0.215 16 P C 1.273 178.544 177.300 -0.047 0.000 1.153 16 P CA 1.472 64.544 63.100 -0.047 0.000 0.853 16 P CB -0.413 31.298 31.700 0.018 0.000 0.788 17 H N -1.661 117.343 119.070 -0.109 0.000 2.546 17 H HA 0.065 4.622 4.556 0.003 0.000 0.277 17 H C 0.048 175.332 175.328 -0.074 0.000 1.004 17 H CA 0.394 56.405 56.048 -0.062 0.000 1.231 17 H CB -0.912 28.844 29.762 -0.010 0.000 1.382 17 H HN -0.060 nan 8.280 nan 0.000 0.580 18 V N 4.188 123.683 119.914 -0.698 0.000 2.432 18 V HA 0.184 4.306 4.120 0.003 0.000 0.271 18 V C -2.043 173.856 176.094 -0.326 0.000 1.046 18 V CA -1.616 60.291 62.300 -0.657 0.000 0.945 18 V CB 1.183 32.177 31.823 -1.381 0.000 0.992 18 V HN 0.191 nan 8.190 nan 0.000 0.471 19 P HA 0.110 nan 4.420 nan 0.000 0.264 19 P C 0.426 177.661 177.300 -0.107 0.000 1.193 19 P CA -0.007 63.061 63.100 -0.052 0.000 0.763 19 P CB 0.751 32.426 31.700 -0.041 0.000 0.810 20 E N 1.548 121.747 120.200 -0.002 0.000 2.153 20 E HA -0.225 4.127 4.350 0.003 0.000 0.194 20 E C 1.685 178.309 176.600 0.040 0.000 0.988 20 E CA 1.352 57.752 56.400 -0.000 0.000 0.811 20 E CB -0.636 29.083 29.700 0.031 0.000 0.746 20 E HN 0.618 nan 8.360 nan 0.000 0.466 21 H N -0.310 118.773 119.070 0.022 0.000 2.559 21 H HA 0.033 4.591 4.556 0.004 0.000 0.273 21 H C 1.296 176.674 175.328 0.082 0.000 1.000 21 H CA 0.676 56.750 56.048 0.043 0.000 1.195 21 H CB -0.209 29.576 29.762 0.038 0.000 1.368 21 H HN 0.205 nan 8.280 nan 0.000 0.592 22 L N 1.286 122.316 121.223 -0.322 0.000 2.607 22 L HA 0.188 4.530 4.340 0.003 0.000 0.228 22 L C 0.190 177.105 176.870 0.074 0.000 1.123 22 L CA -0.280 54.486 54.840 -0.124 0.000 0.890 22 L CB 0.688 42.688 42.059 -0.098 0.000 1.103 22 L HN -0.033 nan 8.230 nan 0.000 0.468 23 V N 0.949 120.900 119.914 0.062 0.000 2.508 23 V HA 0.046 4.168 4.120 0.003 0.000 0.281 23 V C -0.554 175.635 176.094 0.159 0.000 1.041 23 V CA 0.212 62.587 62.300 0.125 0.000 1.016 23 V CB 0.900 32.764 31.823 0.069 0.000 0.984 23 V HN 0.083 nan 8.190 nan 0.000 0.478 24 F N 4.186 124.145 119.950 0.014 0.000 2.828 24 F HA 0.413 4.942 4.527 0.003 0.000 0.355 24 F C 0.099 175.886 175.800 -0.023 0.000 1.200 24 F CA -1.067 56.933 58.000 0.001 0.000 1.062 24 F CB 1.372 40.371 39.000 -0.002 0.000 1.351 24 F HN 0.527 nan 8.300 nan 0.000 0.504 25 D N 6.487 126.876 120.400 -0.019 0.000 2.671 25 D HA -0.016 4.626 4.640 0.003 0.000 0.228 25 D C -0.241 176.098 176.300 0.065 0.000 1.102 25 D CA 0.436 54.431 54.000 -0.009 0.000 1.044 25 D CB -0.255 40.494 40.800 -0.086 0.000 1.113 25 D HN 0.268 nan 8.370 nan 0.000 0.480 26 F N 1.791 121.789 119.950 0.081 0.000 2.427 26 F HA 0.129 4.658 4.527 0.003 0.000 0.352 26 F C 0.420 176.136 175.800 -0.140 0.000 1.100 26 F CA -0.688 57.319 58.000 0.011 0.000 1.191 26 F CB 0.929 39.902 39.000 -0.045 0.000 1.128 26 F HN -0.115 nan 8.300 nan 0.000 0.533 27 D N 7.190 127.108 120.400 -0.803 0.000 2.460 27 D HA 0.107 4.749 4.640 0.003 0.000 0.232 27 D C 0.902 176.706 176.300 -0.827 0.000 1.079 27 D CA -0.443 53.229 54.000 -0.547 0.000 0.864 27 D CB 0.925 41.530 40.800 -0.325 0.000 1.048 27 D HN 0.748 nan 8.370 nan 0.000 0.523 28 M N 1.876 121.148 119.600 -0.547 0.000 2.446 28 M HA -0.100 4.382 4.480 0.003 0.000 0.263 28 M C 0.068 176.142 176.300 -0.376 0.000 1.066 28 M CA 1.271 56.275 55.300 -0.493 0.000 1.087 28 M CB -0.156 32.321 32.600 -0.205 0.000 1.406 28 M HN 0.179 nan 8.290 nan 0.000 0.459 29 Y N 0.494 120.740 120.300 -0.090 0.000 2.449 29 Y HA 0.320 4.873 4.550 0.005 0.000 0.254 29 Y C 0.514 176.388 175.900 -0.043 0.000 1.140 29 Y CA -0.128 57.964 58.100 -0.013 0.000 1.272 29 Y CB 0.484 38.941 38.460 -0.005 0.000 1.114 29 Y HN 0.472 nan 8.280 nan 0.000 0.525 30 N N 0.821 119.499 118.700 -0.036 0.000 2.725 30 N HA 0.093 4.834 4.740 0.003 0.000 0.225 30 N C -3.216 172.168 175.510 -0.209 0.000 1.465 30 N CA -1.032 51.982 53.050 -0.061 0.000 0.830 30 N CB 0.902 39.377 38.487 -0.020 0.000 1.460 30 N HN -0.186 nan 8.380 nan 0.000 0.538 31 P HA 0.026 nan 4.420 nan 0.000 0.268 31 P C 1.039 178.224 177.300 -0.191 0.000 1.204 31 P CA 0.086 62.905 63.100 -0.469 0.000 0.768 31 P CB 1.445 32.835 31.700 -0.516 0.000 0.842 32 S N 2.144 117.747 115.700 -0.161 0.000 2.383 32 S HA -0.230 4.242 4.470 0.003 0.000 0.229 32 S C 1.370 175.965 174.600 -0.009 0.000 1.030 32 S CA 1.353 59.514 58.200 -0.065 0.000 1.002 32 S CB -1.031 62.139 63.200 -0.050 0.000 0.829 32 S HN 0.671 nan 8.310 nan 0.000 0.467 33 N N 0.318 119.034 118.700 0.026 0.000 2.322 33 N HA 0.118 4.860 4.740 0.003 0.000 0.216 33 N C 1.182 176.737 175.510 0.075 0.000 1.144 33 N CA -0.086 52.998 53.050 0.058 0.000 0.830 33 N CB -0.120 38.421 38.487 0.090 0.000 1.034 33 N HN 0.263 nan 8.380 nan 0.000 0.484 34 L N 1.186 122.447 121.223 0.063 0.000 2.081 34 L HA -0.213 4.129 4.340 0.003 0.000 0.212 34 L C 2.372 179.289 176.870 0.078 0.000 1.080 34 L CA 1.840 56.740 54.840 0.101 0.000 0.754 34 L CB -0.873 41.238 42.059 0.087 0.000 0.893 34 L HN 0.275 nan 8.230 nan 0.000 0.433 35 S N -1.116 114.609 115.700 0.041 0.000 2.465 35 S HA -0.100 4.372 4.470 0.003 0.000 0.241 35 S C 1.853 176.453 174.600 0.001 0.000 1.000 35 S CA 0.755 58.962 58.200 0.012 0.000 0.964 35 S CB -0.800 62.406 63.200 0.011 0.000 0.763 35 S HN 0.488 nan 8.310 nan 0.000 0.512 36 A N 0.952 123.792 122.820 0.033 0.000 2.251 36 A HA 0.603 4.925 4.320 0.003 0.000 0.209 36 A C 1.121 178.739 177.584 0.056 0.000 1.187 36 A CA 0.264 52.325 52.037 0.040 0.000 0.823 36 A CB -0.638 18.398 19.000 0.059 0.000 0.846 36 A HN 1.544 nan 8.150 nan 0.000 0.486 37 G N -2.220 106.617 108.800 0.061 0.000 2.697 37 G HA2 0.111 4.073 3.960 0.003 0.000 0.684 37 G HA3 0.111 4.073 3.960 0.003 0.000 0.684 37 G C 0.374 175.489 174.900 0.360 0.000 1.274 37 G CA -0.187 45.014 45.100 0.168 0.000 0.806 37 G HN 0.807 nan 8.290 nan 0.000 0.644 38 V N 1.454 121.758 119.914 0.650 0.000 2.343 38 V HA -0.157 3.965 4.120 0.003 0.000 0.247 38 V C 2.688 179.003 176.094 0.368 0.000 1.051 38 V CA 3.340 65.921 62.300 0.468 0.000 1.036 38 V CB -0.316 31.758 31.823 0.418 0.000 0.654 38 V HN 0.808 nan 8.190 nan 0.000 0.451 39 Q N -0.046 119.859 119.800 0.175 0.000 2.084 39 Q HA -0.217 4.125 4.340 0.003 0.000 0.202 39 Q C 2.101 178.190 176.000 0.148 0.000 0.978 39 Q CA 2.218 58.057 55.803 0.060 0.000 0.844 39 Q CB -0.284 28.401 28.738 -0.088 0.000 0.898 39 Q HN 0.698 nan 8.270 nan 0.000 0.426 40 E N 0.070 120.364 120.200 0.157 0.000 2.110 40 E HA -0.134 4.218 4.350 0.003 0.000 0.193 40 E C 1.787 178.493 176.600 0.176 0.000 0.988 40 E CA 1.148 57.628 56.400 0.133 0.000 0.804 40 E CB -0.301 29.468 29.700 0.116 0.000 0.745 40 E HN 0.410 nan 8.360 nan 0.000 0.458 41 A N -0.066 122.901 122.820 0.245 0.000 1.902 41 A HA -0.166 4.156 4.320 0.003 0.000 0.217 41 A C 1.730 179.496 177.584 0.303 0.000 1.181 41 A CA 1.275 53.461 52.037 0.249 0.000 0.623 41 A CB -0.948 18.201 19.000 0.248 0.000 0.818 41 A HN 0.365 nan 8.150 nan 0.000 0.443 42 W N -0.357 121.045 121.300 0.169 0.000 2.436 42 W HA 0.139 4.800 4.660 0.002 0.000 0.284 42 W C 2.576 179.032 176.519 -0.104 0.000 1.225 42 W CA 0.969 58.348 57.345 0.057 0.000 1.271 42 W CB -0.271 29.186 29.460 -0.005 0.000 1.114 42 W HN 0.360 nan 8.180 nan 0.000 0.559 43 A N 0.455 123.371 122.820 0.160 0.000 2.178 43 A HA -0.104 4.218 4.320 0.003 0.000 0.218 43 A C 1.978 179.563 177.584 0.002 0.000 1.157 43 A CA 1.714 53.776 52.037 0.042 0.000 0.689 43 A CB -1.186 17.836 19.000 0.037 0.000 0.787 43 A HN 0.265 nan 8.150 nan 0.000 0.465 44 V N -2.473 117.461 119.914 0.032 0.000 2.759 44 V HA -0.137 3.985 4.120 0.003 0.000 0.256 44 V C 1.924 177.962 176.094 -0.093 0.000 1.080 44 V CA 1.763 64.093 62.300 0.050 0.000 1.101 44 V CB -0.898 31.036 31.823 0.185 0.000 0.698 44 V HN 0.451 nan 8.190 nan 0.000 0.477 45 L N -0.227 120.819 121.223 -0.294 0.000 2.551 45 L HA 0.018 4.360 4.340 0.003 0.000 0.228 45 L C 2.317 179.000 176.870 -0.311 0.000 1.153 45 L CA 1.116 55.633 54.840 -0.537 0.000 0.851 45 L CB -0.394 41.273 42.059 -0.653 0.000 0.959 45 L HN 0.440 nan 8.230 nan 0.000 0.451 46 Q N -0.689 119.009 119.800 -0.170 0.000 2.172 46 Q HA 0.152 4.494 4.340 0.003 0.000 0.217 46 Q C -0.138 175.826 176.000 -0.059 0.000 0.832 46 Q CA -0.190 55.547 55.803 -0.109 0.000 1.010 46 Q CB 0.747 29.433 28.738 -0.087 0.000 1.133 46 Q HN 0.466 nan 8.270 nan 0.000 0.489 47 E N 0.592 120.770 120.200 -0.037 0.000 2.392 47 E HA -0.007 4.345 4.350 0.003 0.000 0.256 47 E C 1.012 177.616 176.600 0.006 0.000 1.145 47 E CA 0.381 56.784 56.400 0.005 0.000 0.929 47 E CB 0.791 30.519 29.700 0.046 0.000 0.998 47 E HN 0.166 nan 8.360 nan 0.000 0.442 48 S N 1.820 117.529 115.700 0.013 0.000 2.389 48 S HA -0.300 4.172 4.470 0.003 0.000 0.231 48 S C 0.976 175.589 174.600 0.021 0.000 1.052 48 S CA 2.017 60.224 58.200 0.012 0.000 1.053 48 S CB -0.413 62.795 63.200 0.014 0.000 0.886 48 S HN 0.541 nan 8.310 nan 0.000 0.456 49 N N 0.645 119.370 118.700 0.041 0.000 2.279 49 N HA 0.331 5.073 4.740 0.003 0.000 0.226 49 N C -1.249 174.307 175.510 0.075 0.000 1.126 49 N CA -0.205 52.878 53.050 0.055 0.000 0.846 49 N CB 0.991 39.515 38.487 0.062 0.000 1.050 49 N HN 0.204 nan 8.380 nan 0.000 0.502 50 V N 2.500 122.443 119.914 0.048 0.000 2.394 50 V HA 0.352 4.474 4.120 0.003 0.000 0.282 50 V C -1.629 174.459 176.094 -0.010 0.000 1.031 50 V CA -1.661 60.656 62.300 0.027 0.000 0.881 50 V CB 1.262 33.036 31.823 -0.081 0.000 0.982 50 V HN 0.102 nan 8.190 nan 0.000 0.451 51 P HA 0.238 nan 4.420 nan 0.000 0.275 51 P C -0.023 177.249 177.300 -0.047 0.000 1.266 51 P CA -0.307 62.794 63.100 0.002 0.000 0.793 51 P CB 1.115 32.842 31.700 0.045 0.000 1.074 52 D N -0.922 119.442 120.400 -0.059 0.000 2.219 52 D HA -0.018 4.624 4.640 0.003 0.000 0.205 52 D C 0.417 176.661 176.300 -0.094 0.000 0.970 52 D CA 1.351 55.285 54.000 -0.109 0.000 0.851 52 D CB -0.140 40.559 40.800 -0.169 0.000 0.943 52 D HN 0.088 nan 8.370 nan 0.000 0.488 53 L N 0.588 121.792 121.223 -0.032 0.000 2.439 53 L HA 0.345 4.687 4.340 0.003 0.000 0.270 53 L C -0.779 176.190 176.870 0.165 0.000 0.972 53 L CA -0.942 53.928 54.840 0.050 0.000 0.836 53 L CB 1.903 43.974 42.059 0.021 0.000 1.255 53 L HN -0.155 nan 8.230 nan 0.000 0.404 54 V N 1.492 121.536 119.914 0.217 0.000 3.126 54 V HA 0.703 4.825 4.120 0.003 0.000 0.314 54 V C -1.411 174.914 176.094 0.385 0.000 1.138 54 V CA -0.762 61.694 62.300 0.260 0.000 1.034 54 V CB 2.134 34.011 31.823 0.090 0.000 1.075 54 V HN 0.928 nan 8.190 nan 0.000 0.442 55 W N 1.698 123.002 121.300 0.007 0.000 2.656 55 W HA 0.678 5.340 4.660 0.004 0.000 0.327 55 W C -1.069 175.316 176.519 -0.224 0.000 1.041 55 W CA -0.235 56.933 57.345 -0.295 0.000 1.229 55 W CB 1.953 30.993 29.460 -0.701 0.000 1.397 55 W HN 0.888 nan 8.180 nan 0.000 0.479 56 T N 5.026 119.095 114.554 -0.810 0.000 2.859 56 T HA 0.393 4.745 4.350 0.003 0.000 0.281 56 T C 0.903 175.167 174.700 -0.728 0.000 1.005 56 T CA -0.424 61.348 62.100 -0.547 0.000 1.025 56 T CB 1.244 69.831 68.868 -0.467 0.000 0.977 56 T HN 0.631 nan 8.240 nan 0.000 0.458 57 R N 1.811 122.167 120.500 -0.241 0.000 2.310 57 R HA 0.204 4.546 4.340 0.003 0.000 0.202 57 R C 0.562 176.793 176.300 -0.115 0.000 0.933 57 R CA -0.173 55.877 56.100 -0.084 0.000 1.054 57 R CB -0.230 30.103 30.300 0.055 0.000 0.985 57 R HN 0.554 nan 8.270 nan 0.000 0.489 58 C N 1.267 120.467 119.300 -0.167 0.000 2.656 58 C HA 0.100 4.562 4.460 0.003 0.000 0.391 58 C C 0.893 175.863 174.990 -0.033 0.000 1.300 58 C CA -0.420 58.545 59.018 -0.089 0.000 2.302 58 C CB 0.003 27.687 27.740 -0.094 0.000 2.655 58 C HN 0.674 nan 8.230 nan 0.000 0.656 59 N N 0.531 119.256 118.700 0.043 0.000 2.716 59 N HA -0.157 4.585 4.740 0.003 0.000 0.250 59 N C 0.755 176.323 175.510 0.097 0.000 1.033 59 N CA 0.874 53.989 53.050 0.108 0.000 0.727 59 N CB -1.123 37.493 38.487 0.215 0.000 0.950 59 N HN 1.354 nan 8.380 nan 0.000 0.541 60 G N -1.878 106.953 108.800 0.052 0.000 2.241 60 G HA2 0.074 4.036 3.960 0.003 0.000 0.244 60 G HA3 0.074 4.036 3.960 0.003 0.000 0.244 60 G C 0.535 175.463 174.900 0.046 0.000 0.998 60 G CA 0.310 45.445 45.100 0.059 0.000 0.621 60 G HN 1.610 nan 8.290 nan 0.000 0.519 61 G N -0.701 108.050 108.800 -0.082 0.000 3.338 61 G HA2 0.582 4.544 3.960 0.003 0.000 0.686 61 G HA3 0.582 4.544 3.960 0.003 0.000 0.686 61 G C -0.555 173.863 174.900 -0.804 0.000 1.053 61 G CA 0.620 45.482 45.100 -0.396 0.000 0.852 61 G HN 2.858 nan 8.290 nan 0.000 0.545 62 H N -1.571 116.464 119.070 -1.725 0.000 3.024 62 H HA 0.642 5.200 4.556 0.003 0.000 0.324 62 H C -0.598 174.057 175.328 -1.121 0.000 1.347 62 H CA -1.606 53.677 56.048 -1.275 0.000 1.182 62 H CB 0.096 29.589 29.762 -0.448 0.000 1.889 62 H HN 0.661 nan 8.280 nan 0.000 0.528 63 W N 1.020 122.229 121.300 -0.152 0.000 2.129 63 W HA 0.616 5.278 4.660 0.003 0.000 0.349 63 W C -0.226 176.337 176.519 0.073 0.000 1.279 63 W CA -0.535 56.847 57.345 0.061 0.000 1.306 63 W CB 0.774 30.374 29.460 0.234 0.000 1.140 63 W HN 0.454 nan 8.180 nan 0.000 0.613 64 I N 2.229 122.978 120.570 0.298 0.000 2.548 64 I HA 0.340 4.512 4.170 0.003 0.000 0.287 64 I C -0.402 175.753 176.117 0.064 0.000 1.103 64 I CA -1.124 60.254 61.300 0.130 0.000 1.049 64 I CB 1.390 39.380 38.000 -0.018 0.000 1.232 64 I HN 0.447 nan 8.210 nan 0.000 0.429 65 A N 3.234 126.061 122.820 0.012 0.000 2.328 65 A HA 0.525 4.847 4.320 0.003 0.000 0.284 65 A C 0.924 178.457 177.584 -0.086 0.000 1.160 65 A CA -0.083 51.928 52.037 -0.043 0.000 0.818 65 A CB 0.315 19.265 19.000 -0.083 0.000 1.087 65 A HN 0.852 nan 8.150 nan 0.000 0.504 66 T N -0.304 114.179 114.554 -0.118 0.000 3.040 66 T HA 0.250 4.602 4.350 0.003 0.000 0.250 66 T C 0.578 175.201 174.700 -0.129 0.000 1.058 66 T CA -0.074 61.936 62.100 -0.149 0.000 0.988 66 T CB 0.063 68.810 68.868 -0.201 0.000 0.993 66 T HN 0.529 nan 8.240 nan 0.000 0.519 67 R N 0.208 120.633 120.500 -0.125 0.000 2.750 67 R HA 0.584 4.926 4.340 0.003 0.000 0.281 67 R C 1.469 177.702 176.300 -0.112 0.000 0.972 67 R CA -0.338 55.692 56.100 -0.117 0.000 0.912 67 R CB 1.176 31.399 30.300 -0.127 0.000 1.187 67 R HN 0.201 nan 8.270 nan 0.000 0.464 68 G N 1.069 109.812 108.800 -0.096 0.000 2.469 68 G HA2 -0.341 3.621 3.960 0.003 0.000 0.220 68 G HA3 -0.341 3.621 3.960 0.003 0.000 0.220 68 G C 1.069 175.908 174.900 -0.101 0.000 1.136 68 G CA 0.860 45.904 45.100 -0.094 0.000 0.759 68 G HN 0.647 nan 8.290 nan 0.000 0.562 69 Q N -0.599 119.141 119.800 -0.100 0.000 2.045 69 Q HA -0.127 4.215 4.340 0.003 0.000 0.206 69 Q C 2.522 178.469 176.000 -0.089 0.000 0.991 69 Q CA 1.375 57.127 55.803 -0.085 0.000 0.851 69 Q CB -0.177 28.510 28.738 -0.085 0.000 0.911 69 Q HN 0.422 nan 8.270 nan 0.000 0.418 70 L N 0.223 121.342 121.223 -0.173 0.000 2.109 70 L HA -0.117 4.225 4.340 0.003 0.000 0.207 70 L C 2.205 179.050 176.870 -0.041 0.000 1.086 70 L CA 1.155 55.908 54.840 -0.145 0.000 0.760 70 L CB -0.374 41.521 42.059 -0.273 0.000 0.910 70 L HN 0.280 nan 8.230 nan 0.000 0.437 71 I N -0.876 119.637 120.570 -0.094 0.000 2.179 71 I HA -0.330 3.842 4.170 0.003 0.000 0.242 71 I C 2.642 178.746 176.117 -0.022 0.000 1.088 71 I CA 1.281 62.519 61.300 -0.103 0.000 1.357 71 I CB -0.266 37.714 38.000 -0.033 0.000 1.051 71 I HN 0.195 nan 8.210 nan 0.000 0.409 72 R N 0.539 121.012 120.500 -0.045 0.000 2.073 72 R HA -0.168 4.174 4.340 0.003 0.000 0.234 72 R C 2.244 178.634 176.300 0.150 0.000 1.134 72 R CA 1.487 57.529 56.100 -0.097 0.000 0.952 72 R CB -0.332 29.772 30.300 -0.328 0.000 0.850 72 R HN 0.412 nan 8.270 nan 0.000 0.433 73 E N 0.381 120.663 120.200 0.136 0.000 2.058 73 E HA -0.223 4.128 4.350 0.003 0.000 0.194 73 E C 2.060 178.783 176.600 0.205 0.000 0.997 73 E CA 1.377 57.924 56.400 0.246 0.000 0.801 73 E CB -0.142 29.780 29.700 0.370 0.000 0.746 73 E HN 0.389 nan 8.360 nan 0.000 0.450 74 A N 0.350 123.144 122.820 -0.044 0.000 1.930 74 A HA -0.175 4.147 4.320 0.003 0.000 0.217 74 A C 1.781 179.227 177.584 -0.230 0.000 1.175 74 A CA 1.167 52.863 52.037 -0.569 0.000 0.627 74 A CB -0.646 17.548 19.000 -1.345 0.000 0.815 74 A HN 0.266 nan 8.150 nan 0.000 0.443 75 Y N 0.254 120.569 120.300 0.025 0.000 2.439 75 Y HA -0.057 4.495 4.550 0.003 0.000 0.292 75 Y C 2.287 178.325 175.900 0.231 0.000 1.130 75 Y CA 1.285 59.475 58.100 0.149 0.000 1.254 75 Y CB -0.193 38.390 38.460 0.205 0.000 1.000 75 Y HN 0.481 nan 8.280 nan 0.000 0.554 76 E N -0.881 119.543 120.200 0.373 0.000 2.170 76 E HA -0.107 4.245 4.350 0.003 0.000 0.191 76 E C 0.350 177.075 176.600 0.209 0.000 0.981 76 E CA 0.607 57.178 56.400 0.284 0.000 0.830 76 E CB 0.135 29.987 29.700 0.253 0.000 0.775 76 E HN 0.107 nan 8.360 nan 0.000 0.470 77 D N 0.231 120.763 120.400 0.220 0.000 2.563 77 D HA -0.023 4.619 4.640 0.003 0.000 0.222 77 D C 0.311 176.706 176.300 0.158 0.000 1.145 77 D CA -0.393 53.683 54.000 0.128 0.000 1.001 77 D CB -0.085 40.892 40.800 0.295 0.000 1.049 77 D HN 0.176 nan 8.370 nan 0.000 0.515 78 Y N 1.016 121.409 120.300 0.156 0.000 2.571 78 Y HA 0.150 4.702 4.550 0.003 0.000 0.294 78 Y C 1.760 177.671 175.900 0.018 0.000 1.141 78 Y CA 0.276 58.454 58.100 0.131 0.000 1.308 78 Y CB -0.345 38.197 38.460 0.137 0.000 1.002 78 Y HN 0.075 nan 8.280 nan 0.000 0.551 79 R N -0.415 119.946 120.500 -0.231 0.000 2.148 79 R HA -0.043 4.299 4.340 0.003 0.000 0.223 79 R C 1.223 177.288 176.300 -0.391 0.000 1.088 79 R CA 1.714 57.646 56.100 -0.279 0.000 0.985 79 R CB -0.305 29.712 30.300 -0.471 0.000 0.880 79 R HN 0.571 nan 8.270 nan 0.000 0.451 80 H N -2.111 116.740 119.070 -0.365 0.000 2.557 80 H HA 0.130 4.688 4.556 0.003 0.000 0.281 80 H C -0.301 174.607 175.328 -0.700 0.000 0.990 80 H CA 0.144 55.786 56.048 -0.676 0.000 1.278 80 H CB 0.552 29.574 29.762 -1.233 0.000 1.451 80 H HN -0.055 nan 8.280 nan 0.000 0.516 81 F N 1.243 121.196 119.950 0.005 0.000 2.307 81 F HA 0.289 4.817 4.527 0.003 0.000 0.369 81 F C 0.251 176.082 175.800 0.053 0.000 1.076 81 F CA -0.686 57.309 58.000 -0.008 0.000 1.149 81 F CB 1.150 40.099 39.000 -0.085 0.000 1.410 81 F HN -0.097 nan 8.300 nan 0.000 0.481 82 S N 0.879 116.675 115.700 0.161 0.000 2.565 82 S HA 0.212 4.684 4.470 0.003 0.000 0.274 82 S C 1.154 175.819 174.600 0.109 0.000 1.309 82 S CA -0.443 57.841 58.200 0.140 0.000 1.043 82 S CB 1.023 64.274 63.200 0.085 0.000 0.939 82 S HN 0.522 nan 8.310 nan 0.000 0.504 83 S N 2.765 118.518 115.700 0.089 0.000 2.593 83 S HA 0.042 4.514 4.470 0.003 0.000 0.217 83 S C 1.545 176.128 174.600 -0.028 0.000 0.966 83 S CA 0.044 58.235 58.200 -0.015 0.000 0.914 83 S CB -0.183 62.944 63.200 -0.123 0.000 0.776 83 S HN 0.868 nan 8.310 nan 0.000 0.523 84 E N 0.222 120.435 120.200 0.021 0.000 2.160 84 E HA -0.166 4.186 4.350 0.003 0.000 0.195 84 E C 0.349 176.940 176.600 -0.014 0.000 0.991 84 E CA 0.759 57.171 56.400 0.020 0.000 0.810 84 E CB 0.101 29.823 29.700 0.036 0.000 0.742 84 E HN 0.406 nan 8.360 nan 0.000 0.466 85 C N 1.555 120.836 119.300 -0.031 0.000 3.002 85 C HA 0.425 4.887 4.460 0.003 0.000 0.248 85 C C -1.994 172.947 174.990 -0.081 0.000 1.153 85 C CA -1.573 57.412 59.018 -0.056 0.000 1.502 85 C CB 0.952 28.690 27.740 -0.003 0.000 1.805 85 C HN 0.280 nan 8.230 nan 0.000 0.450 86 P HA 0.166 nan 4.420 nan 0.000 0.257 86 P C -0.030 177.329 177.300 0.099 0.000 1.241 86 P CA 0.389 63.408 63.100 -0.134 0.000 0.816 86 P CB 0.338 31.838 31.700 -0.333 0.000 1.150 87 F N 0.377 120.132 119.950 -0.325 0.000 2.507 87 F HA 0.424 4.952 4.527 0.003 0.000 0.327 87 F C 0.812 176.511 175.800 -0.169 0.000 1.068 87 F CA -2.113 55.742 58.000 -0.241 0.000 0.965 87 F CB 1.040 39.852 39.000 -0.313 0.000 1.192 87 F HN -0.293 nan 8.300 nan 0.000 0.476 88 I N 4.460 125.025 120.570 -0.008 0.000 2.441 88 I HA 0.324 4.496 4.170 0.003 0.000 0.295 88 I C -2.114 174.089 176.117 0.143 0.000 0.994 88 I CA -2.646 58.627 61.300 -0.044 0.000 1.144 88 I CB 1.616 39.444 38.000 -0.286 0.000 1.314 88 I HN 0.281 nan 8.210 nan 0.000 0.445 89 P HA 0.216 nan 4.420 nan 0.000 0.275 89 P C 0.687 178.013 177.300 0.044 0.000 1.266 89 P CA -0.461 62.684 63.100 0.076 0.000 0.793 89 P CB 1.239 32.985 31.700 0.076 0.000 1.074 90 R N 0.747 121.271 120.500 0.040 0.000 2.103 90 R HA -0.178 4.164 4.340 0.003 0.000 0.242 90 R C 2.168 178.484 176.300 0.026 0.000 1.142 90 R CA 2.054 58.175 56.100 0.035 0.000 0.960 90 R CB -0.326 30.006 30.300 0.053 0.000 0.858 90 R HN 0.557 nan 8.270 nan 0.000 0.439 91 E N 0.106 120.327 120.200 0.036 0.000 2.118 91 E HA -0.202 4.150 4.350 0.003 0.000 0.195 91 E C 1.735 178.353 176.600 0.030 0.000 0.992 91 E CA 1.393 57.818 56.400 0.040 0.000 0.804 91 E CB -0.316 29.416 29.700 0.053 0.000 0.741 91 E HN 0.453 nan 8.360 nan 0.000 0.458 92 A N 1.931 124.753 122.820 0.005 0.000 1.872 92 A HA 0.039 4.361 4.320 0.003 0.000 0.214 92 A C 2.600 179.971 177.584 -0.356 0.000 1.187 92 A CA 1.654 53.602 52.037 -0.150 0.000 0.614 92 A CB -1.218 17.748 19.000 -0.056 0.000 0.826 92 A HN 0.409 nan 8.150 nan 0.000 0.442 93 G N -0.389 108.320 108.800 -0.151 0.000 2.422 93 G HA2 -0.190 3.772 3.960 0.003 0.000 0.218 93 G HA3 -0.190 3.772 3.960 0.003 0.000 0.218 93 G C 1.411 176.252 174.900 -0.097 0.000 1.146 93 G CA 0.994 46.006 45.100 -0.148 0.000 0.769 93 G HN 0.666 nan 8.290 nan 0.000 0.547 94 E N 0.482 120.656 120.200 -0.043 0.000 2.072 94 E HA 0.034 4.386 4.350 0.003 0.000 0.190 94 E C 2.870 179.475 176.600 0.008 0.000 0.982 94 E CA 0.690 57.088 56.400 -0.004 0.000 0.803 94 E CB -0.136 29.575 29.700 0.017 0.000 0.755 94 E HN 0.408 nan 8.360 nan 0.000 0.453 95 A N 0.974 123.805 122.820 0.017 0.000 2.014 95 A HA -0.130 4.192 4.320 0.003 0.000 0.218 95 A C 0.805 178.433 177.584 0.073 0.000 1.163 95 A CA 0.262 52.346 52.037 0.078 0.000 0.652 95 A CB -0.485 18.640 19.000 0.208 0.000 0.808 95 A HN 0.295 nan 8.150 nan 0.000 0.449 96 Y N 2.408 122.577 120.300 -0.219 0.000 2.677 96 Y HA 0.191 4.744 4.550 0.005 0.000 0.335 96 Y C 0.311 176.070 175.900 -0.236 0.000 1.162 96 Y CA -0.207 57.685 58.100 -0.345 0.000 1.483 96 Y CB 0.428 38.461 38.460 -0.712 0.000 1.209 96 Y HN 0.450 nan 8.280 nan 0.000 0.528 97 D N 4.021 124.222 120.400 -0.331 0.000 2.636 97 D HA 0.026 4.668 4.640 0.003 0.000 0.270 97 D C -0.600 175.630 176.300 -0.116 0.000 1.430 97 D CA -0.363 53.571 54.000 -0.110 0.000 0.796 97 D CB -0.976 39.794 40.800 -0.050 0.000 1.117 97 D HN 0.164 nan 8.370 nan 0.000 0.480 98 F N 1.248 121.040 119.950 -0.263 0.000 2.553 98 F HA 0.264 4.792 4.527 0.001 0.000 0.356 98 F C 1.236 177.034 175.800 -0.004 0.000 1.142 98 F CA -0.306 57.597 58.000 -0.161 0.000 1.322 98 F CB 0.464 39.259 39.000 -0.342 0.000 1.126 98 F HN -0.102 nan 8.300 nan 0.000 0.599 99 I N 4.954 125.642 120.570 0.196 0.000 2.441 99 I HA 0.234 4.406 4.170 0.003 0.000 0.295 99 I C -1.645 174.538 176.117 0.112 0.000 0.994 99 I CA -1.748 59.581 61.300 0.049 0.000 1.144 99 I CB 2.487 40.368 38.000 -0.197 0.000 1.314 99 I HN 0.381 nan 8.210 nan 0.000 0.445 100 P HA 0.082 nan 4.420 nan 0.000 0.262 100 P C 0.958 178.435 177.300 0.296 0.000 1.304 100 P CA 0.242 63.440 63.100 0.164 0.000 0.859 100 P CB 0.266 32.073 31.700 0.179 0.000 1.310 101 T N 0.565 115.319 114.554 0.333 0.000 2.759 101 T HA -0.123 4.229 4.350 0.003 0.000 0.269 101 T C 1.836 176.650 174.700 0.191 0.000 1.042 101 T CA 2.197 64.480 62.100 0.305 0.000 1.140 101 T CB -0.669 68.394 68.868 0.324 0.000 0.864 101 T HN 0.329 nan 8.240 nan 0.000 0.455 102 S N 0.168 116.042 115.700 0.290 0.000 2.603 102 S HA 0.248 4.720 4.470 0.003 0.000 0.220 102 S C 0.533 175.209 174.600 0.127 0.000 0.967 102 S CA -0.182 58.129 58.200 0.185 0.000 0.920 102 S CB -0.569 62.784 63.200 0.255 0.000 0.773 102 S HN 0.376 nan 8.310 nan 0.000 0.529 103 M N 1.901 121.607 119.600 0.177 0.000 2.508 103 M HA 0.502 4.984 4.480 0.003 0.000 0.327 103 M C -0.963 175.461 176.300 0.207 0.000 1.160 103 M CA -0.646 54.742 55.300 0.147 0.000 0.980 103 M CB 1.506 34.169 32.600 0.105 0.000 1.693 103 M HN 0.018 nan 8.290 nan 0.000 0.452 104 D N 1.827 122.296 120.400 0.115 0.000 2.272 104 D HA 0.502 5.144 4.640 0.003 0.000 0.247 104 D C -2.495 173.731 176.300 -0.125 0.000 0.990 104 D CA -1.264 52.764 54.000 0.046 0.000 0.931 104 D CB 1.421 42.261 40.800 0.066 0.000 1.195 104 D HN 0.151 nan 8.370 nan 0.000 0.477 105 P HA 0.098 nan 4.420 nan 0.000 0.272 105 P C -1.705 175.461 177.300 -0.224 0.000 1.230 105 P CA -0.808 62.054 63.100 -0.397 0.000 0.788 105 P CB 0.382 31.633 31.700 -0.747 0.000 0.949 106 P HA -0.050 nan 4.420 nan 0.000 0.227 106 P C 0.778 178.057 177.300 -0.035 0.000 1.161 106 P CA 1.152 64.210 63.100 -0.068 0.000 0.788 106 P CB 0.223 31.913 31.700 -0.016 0.000 0.822 107 E N 0.751 120.954 120.200 0.005 0.000 2.130 107 E HA -0.230 4.122 4.350 0.003 0.000 0.196 107 E C 2.318 179.000 176.600 0.137 0.000 0.998 107 E CA 1.255 57.700 56.400 0.074 0.000 0.806 107 E CB -0.789 28.967 29.700 0.094 0.000 0.738 107 E HN 0.391 nan 8.360 nan 0.000 0.459 108 Q N 0.768 120.610 119.800 0.069 0.000 2.124 108 Q HA -0.211 4.131 4.340 0.003 0.000 0.202 108 Q C 1.900 177.952 176.000 0.085 0.000 0.977 108 Q CA 1.071 56.930 55.803 0.094 0.000 0.850 108 Q CB 0.073 28.779 28.738 -0.054 0.000 0.901 108 Q HN 0.210 nan 8.270 nan 0.000 0.429 109 R N 0.722 121.214 120.500 -0.013 0.000 2.112 109 R HA -0.243 4.099 4.340 0.003 0.000 0.242 109 R C 2.492 178.768 176.300 -0.039 0.000 1.137 109 R CA 2.250 58.326 56.100 -0.041 0.000 0.944 109 R CB -0.892 29.369 30.300 -0.064 0.000 0.857 109 R HN 0.640 nan 8.270 nan 0.000 0.435 110 Q N -0.250 119.496 119.800 -0.091 0.000 2.135 110 Q HA -0.160 4.182 4.340 0.003 0.000 0.204 110 Q C 1.823 177.661 176.000 -0.269 0.000 0.981 110 Q CA 1.701 57.372 55.803 -0.221 0.000 0.856 110 Q CB -0.436 28.086 28.738 -0.361 0.000 0.902 110 Q HN 0.275 nan 8.270 nan 0.000 0.425 111 F N 0.968 120.912 119.950 -0.010 0.000 2.234 111 F HA 0.105 4.634 4.527 0.004 0.000 0.296 111 F C 2.687 178.489 175.800 0.003 0.000 1.089 111 F CA 0.937 58.940 58.000 0.005 0.000 1.343 111 F CB -0.217 38.796 39.000 0.022 0.000 1.040 111 F HN 0.005 nan 8.300 nan 0.000 0.498 112 R N 0.668 121.262 120.500 0.157 0.000 2.096 112 R HA -0.151 4.191 4.340 0.003 0.000 0.235 112 R C 2.288 178.611 176.300 0.040 0.000 1.127 112 R CA 1.250 57.398 56.100 0.079 0.000 0.968 112 R CB -0.415 29.893 30.300 0.013 0.000 0.861 112 R HN 0.255 nan 8.270 nan 0.000 0.440 113 A N 1.041 123.865 122.820 0.007 0.000 1.902 113 A HA -0.170 4.152 4.320 0.003 0.000 0.217 113 A C 2.008 179.592 177.584 0.000 0.000 1.181 113 A CA 1.232 53.262 52.037 -0.011 0.000 0.623 113 A CB -0.554 18.422 19.000 -0.040 0.000 0.818 113 A HN 0.385 nan 8.150 nan 0.000 0.443 114 L N -0.307 120.920 121.223 0.007 0.000 2.056 114 L HA -0.008 4.334 4.340 0.003 0.000 0.207 114 L C 2.651 179.548 176.870 0.045 0.000 1.078 114 L CA 2.185 57.036 54.840 0.020 0.000 0.749 114 L CB -0.833 41.244 42.059 0.030 0.000 0.901 114 L HN 0.328 nan 8.230 nan 0.000 0.433 115 A N -0.370 122.492 122.820 0.071 0.000 1.902 115 A HA -0.265 4.056 4.320 0.003 0.000 0.217 115 A C 2.190 179.805 177.584 0.053 0.000 1.181 115 A CA 1.769 53.850 52.037 0.072 0.000 0.623 115 A CB -1.037 18.017 19.000 0.090 0.000 0.818 115 A HN 0.602 nan 8.150 nan 0.000 0.443 116 N N -0.186 118.539 118.700 0.042 0.000 2.272 116 N HA -0.177 4.565 4.740 0.003 0.000 0.185 116 N C 1.755 177.282 175.510 0.029 0.000 1.014 116 N CA 1.722 54.793 53.050 0.036 0.000 0.870 116 N CB -0.340 38.163 38.487 0.026 0.000 0.975 116 N HN 0.656 nan 8.380 nan 0.000 0.433 117 Q N -0.833 118.980 119.800 0.021 0.000 2.230 117 Q HA -0.023 4.319 4.340 0.003 0.000 0.202 117 Q C 1.727 177.733 176.000 0.011 0.000 0.963 117 Q CA 1.264 57.073 55.803 0.010 0.000 0.866 117 Q CB 0.248 28.987 28.738 0.003 0.000 0.931 117 Q HN 0.472 nan 8.270 nan 0.000 0.452 118 V N -2.864 117.063 119.914 0.021 0.000 3.506 118 V HA 0.074 4.196 4.120 0.003 0.000 0.263 118 V C 1.367 177.475 176.094 0.023 0.000 1.203 118 V CA 0.575 62.885 62.300 0.016 0.000 1.133 118 V CB 0.504 32.338 31.823 0.019 0.000 0.802 118 V HN 0.222 nan 8.190 nan 0.000 0.459 119 V N -2.705 117.232 119.914 0.039 0.000 3.337 119 V HA 0.691 4.813 4.120 0.003 0.000 0.307 119 V C 1.020 177.148 176.094 0.058 0.000 1.505 119 V CA 0.192 62.523 62.300 0.051 0.000 1.072 119 V CB -0.579 31.288 31.823 0.073 0.000 0.929 119 V HN 0.419 nan 8.190 nan 0.000 0.455 120 G N -0.111 108.719 108.800 0.049 0.000 2.684 120 G HA2 0.306 4.268 3.960 0.003 0.000 0.255 120 G HA3 0.306 4.268 3.960 0.003 0.000 0.255 120 G C 0.538 175.454 174.900 0.026 0.000 1.219 120 G CA 0.250 45.386 45.100 0.061 0.000 0.901 120 G HN 0.196 nan 8.290 nan 0.000 0.548 121 M N 1.009 120.581 119.600 -0.047 0.000 2.108 121 M HA -0.067 4.415 4.480 0.003 0.000 0.257 121 M C -0.227 176.035 176.300 -0.065 0.000 1.071 121 M CA 1.948 57.172 55.300 -0.127 0.000 1.093 121 M CB -1.029 31.381 32.600 -0.317 0.000 1.345 121 M HN 0.342 nan 8.290 nan 0.000 0.403 122 P HA -0.121 nan 4.420 nan 0.000 0.218 122 P C 1.603 178.890 177.300 -0.021 0.000 1.148 122 P CA 1.303 64.381 63.100 -0.036 0.000 0.822 122 P CB -0.113 31.568 31.700 -0.033 0.000 0.784 123 V N -1.069 118.837 119.914 -0.013 0.000 2.591 123 V HA -0.135 3.987 4.120 0.003 0.000 0.249 123 V C 2.372 178.465 176.094 -0.002 0.000 1.053 123 V CA 1.360 63.655 62.300 -0.007 0.000 1.068 123 V CB -1.028 30.794 31.823 -0.002 0.000 0.689 123 V HN -0.028 nan 8.190 nan 0.000 0.462 124 V N 0.272 120.190 119.914 0.007 0.000 2.358 124 V HA -0.227 3.895 4.120 0.003 0.000 0.246 124 V C 2.320 178.422 176.094 0.013 0.000 1.047 124 V CA 2.061 64.372 62.300 0.018 0.000 1.035 124 V CB -0.703 31.142 31.823 0.037 0.000 0.658 124 V HN 0.538 nan 8.190 nan 0.000 0.452 125 D N 0.322 120.722 120.400 0.001 0.000 2.123 125 D HA -0.234 4.408 4.640 0.003 0.000 0.196 125 D C 2.137 178.440 176.300 0.005 0.000 0.992 125 D CA 1.760 55.761 54.000 0.002 0.000 0.833 125 D CB -0.267 40.527 40.800 -0.010 0.000 0.954 125 D HN 0.508 nan 8.370 nan 0.000 0.455 126 K N 0.997 121.396 120.400 -0.001 0.000 2.074 126 K HA -0.147 4.175 4.320 0.003 0.000 0.209 126 K C 2.070 178.670 176.600 0.001 0.000 1.048 126 K CA 0.989 57.274 56.287 -0.003 0.000 0.926 126 K CB -0.217 32.277 32.500 -0.009 0.000 0.713 126 K HN 0.155 nan 8.250 nan 0.000 0.444 127 L N 0.951 122.175 121.223 0.003 0.000 2.554 127 L HA 0.013 4.355 4.340 0.003 0.000 0.226 127 L C 2.330 179.215 176.870 0.024 0.000 1.137 127 L CA 0.250 55.093 54.840 0.004 0.000 0.863 127 L CB -0.319 41.736 42.059 -0.006 0.000 0.985 127 L HN 0.393 nan 8.230 nan 0.000 0.451 128 E N 1.360 121.578 120.200 0.030 0.000 2.055 128 E HA -0.334 4.018 4.350 0.003 0.000 0.209 128 E C 1.689 178.324 176.600 0.058 0.000 1.036 128 E CA 2.436 58.865 56.400 0.048 0.000 0.849 128 E CB 0.039 29.762 29.700 0.039 0.000 0.767 128 E HN 0.468 nan 8.360 nan 0.000 0.461 129 N N -0.095 118.631 118.700 0.044 0.000 2.104 129 N HA -0.139 4.603 4.740 0.003 0.000 0.190 129 N C 1.861 177.404 175.510 0.056 0.000 1.024 129 N CA 1.458 54.535 53.050 0.046 0.000 0.853 129 N CB -0.159 38.346 38.487 0.031 0.000 1.008 129 N HN 0.151 nan 8.380 nan 0.000 0.424 130 R N 0.050 120.578 120.500 0.046 0.000 2.092 130 R HA 0.070 4.412 4.340 0.003 0.000 0.231 130 R C 1.978 178.328 176.300 0.083 0.000 1.119 130 R CA 0.828 56.956 56.100 0.047 0.000 0.970 130 R CB -0.216 30.095 30.300 0.018 0.000 0.864 130 R HN 0.282 nan 8.270 nan 0.000 0.440 131 I N 0.228 120.856 120.570 0.096 0.000 2.202 131 I HA -0.281 3.891 4.170 0.003 0.000 0.242 131 I C 2.575 178.871 176.117 0.299 0.000 1.091 131 I CA 1.140 62.548 61.300 0.180 0.000 1.368 131 I CB -0.266 37.823 38.000 0.150 0.000 1.058 131 I HN 0.147 nan 8.210 nan 0.000 0.410 132 Q N 1.469 121.383 119.800 0.190 0.000 2.030 132 Q HA -0.286 4.056 4.340 0.003 0.000 0.204 132 Q C 2.045 178.126 176.000 0.135 0.000 0.986 132 Q CA 2.134 58.029 55.803 0.154 0.000 0.843 132 Q CB -0.256 28.543 28.738 0.100 0.000 0.904 132 Q HN 0.463 nan 8.270 nan 0.000 0.420 133 E N -0.429 119.838 120.200 0.112 0.000 2.051 133 E HA -0.198 4.154 4.350 0.003 0.000 0.192 133 E C 2.041 178.707 176.600 0.110 0.000 0.991 133 E CA 1.188 57.641 56.400 0.089 0.000 0.799 133 E CB -0.298 29.441 29.700 0.065 0.000 0.748 133 E HN 0.517 nan 8.360 nan 0.000 0.449 134 L N 0.204 121.521 121.223 0.157 0.000 2.046 134 L HA -0.173 4.169 4.340 0.003 0.000 0.208 134 L C 2.464 179.462 176.870 0.213 0.000 1.077 134 L CA 1.399 56.351 54.840 0.187 0.000 0.747 134 L CB -0.367 41.825 42.059 0.222 0.000 0.896 134 L HN 0.235 nan 8.230 nan 0.000 0.432 135 A N -0.756 122.213 122.820 0.248 0.000 1.865 135 A HA -0.272 4.050 4.320 0.003 0.000 0.217 135 A C 2.341 179.979 177.584 0.090 0.000 1.191 135 A CA 1.940 53.994 52.037 0.028 0.000 0.623 135 A CB -1.391 17.546 19.000 -0.105 0.000 0.826 135 A HN 0.639 nan 8.150 nan 0.000 0.444 136 C N -1.203 118.138 119.300 0.069 0.000 2.413 136 C HA -0.068 4.394 4.460 0.003 0.000 0.276 136 C C 3.311 178.319 174.990 0.029 0.000 1.248 136 C CA 1.398 60.434 59.018 0.030 0.000 1.742 136 C CB -1.218 26.538 27.740 0.027 0.000 2.017 136 C HN 0.692 nan 8.230 nan 0.000 0.481 137 S N 0.191 115.924 115.700 0.054 0.000 2.356 137 S HA -0.125 4.347 4.470 0.003 0.000 0.223 137 S C 1.743 176.376 174.600 0.055 0.000 1.032 137 S CA 1.275 59.503 58.200 0.047 0.000 1.005 137 S CB -0.263 62.970 63.200 0.054 0.000 0.867 137 S HN 0.401 nan 8.310 nan 0.000 0.449 138 L N 1.570 122.847 121.223 0.091 0.000 2.017 138 L HA 0.081 4.423 4.340 0.003 0.000 0.208 138 L C 2.185 179.126 176.870 0.119 0.000 1.073 138 L CA 1.602 56.518 54.840 0.127 0.000 0.745 138 L CB -0.874 41.290 42.059 0.175 0.000 0.894 138 L HN 0.405 nan 8.230 nan 0.000 0.432 139 I N -1.092 119.521 120.570 0.073 0.000 2.252 139 I HA -0.235 3.937 4.170 0.003 0.000 0.245 139 I C 2.425 178.437 176.117 -0.174 0.000 1.102 139 I CA 0.924 62.135 61.300 -0.148 0.000 1.385 139 I CB -0.250 37.586 38.000 -0.274 0.000 1.064 139 I HN 0.242 nan 8.210 nan 0.000 0.414 140 E N 1.176 121.322 120.200 -0.090 0.000 2.110 140 E HA -0.173 4.179 4.350 0.003 0.000 0.193 140 E C 2.162 178.748 176.600 -0.023 0.000 0.988 140 E CA 1.674 58.034 56.400 -0.068 0.000 0.804 140 E CB -0.129 29.550 29.700 -0.035 0.000 0.745 140 E HN 0.277 nan 8.360 nan 0.000 0.458 141 S N -0.312 115.392 115.700 0.007 0.000 2.402 141 S HA -0.011 4.461 4.470 0.003 0.000 0.229 141 S C 1.825 176.460 174.600 0.059 0.000 1.021 141 S CA 0.920 59.140 58.200 0.033 0.000 0.974 141 S CB -0.151 63.075 63.200 0.044 0.000 0.800 141 S HN 0.266 nan 8.310 nan 0.000 0.484 142 L N 0.798 122.066 121.223 0.075 0.000 2.179 142 L HA 0.063 4.405 4.340 0.003 0.000 0.208 142 L C 2.567 179.613 176.870 0.293 0.000 1.096 142 L CA 0.610 55.559 54.840 0.180 0.000 0.779 142 L CB -0.432 41.764 42.059 0.229 0.000 0.922 142 L HN 0.220 nan 8.230 nan 0.000 0.443 143 R N 1.004 121.571 120.500 0.110 0.000 2.168 143 R HA -0.216 4.126 4.340 0.003 0.000 0.242 143 R C -0.554 175.932 176.300 0.310 0.000 1.123 143 R CA 2.592 58.773 56.100 0.134 0.000 0.928 143 R CB -1.365 28.890 30.300 -0.075 0.000 0.873 143 R HN 0.236 nan 8.270 nan 0.000 0.434 144 P HA -0.106 nan 4.420 nan 0.000 0.226 144 P C 0.412 177.740 177.300 0.046 0.000 1.153 144 P CA 1.281 64.439 63.100 0.097 0.000 0.777 144 P CB -0.036 31.692 31.700 0.046 0.000 0.794 145 Q N -0.604 119.221 119.800 0.041 0.000 2.297 145 Q HA 0.064 4.406 4.340 0.003 0.000 0.204 145 Q C 1.547 177.353 176.000 -0.324 0.000 0.962 145 Q CA 0.825 56.576 55.803 -0.087 0.000 0.879 145 Q CB -0.509 28.202 28.738 -0.044 0.000 0.947 145 Q HN 0.279 nan 8.270 nan 0.000 0.462 146 G N 1.736 110.182 108.800 -0.590 0.000 2.166 146 G HA2 -0.328 3.634 3.960 0.003 0.000 0.260 146 G HA3 -0.328 3.634 3.960 0.003 0.000 0.260 146 G C -0.039 173.839 174.900 -1.703 0.000 0.986 146 G CA 0.992 45.277 45.100 -1.358 0.000 0.683 146 G HN 0.483 nan 8.290 nan 0.000 0.527 147 Q N -2.073 116.793 119.800 -1.557 0.000 2.776 147 Q HA 0.613 4.955 4.340 0.003 0.000 0.289 147 Q C -0.423 175.400 176.000 -0.294 0.000 0.912 147 Q CA -0.749 54.527 55.803 -0.878 0.000 0.789 147 Q CB 1.406 29.907 28.738 -0.394 0.000 1.498 147 Q HN 1.579 nan 8.270 nan 0.000 0.408 148 C N -0.338 118.997 119.300 0.059 0.000 3.253 148 C HA 0.623 5.085 4.460 0.003 0.000 0.342 148 C C -1.767 173.360 174.990 0.228 0.000 1.306 148 C CA -0.829 58.327 59.018 0.230 0.000 1.207 148 C CB 1.327 29.358 27.740 0.484 0.000 1.479 148 C HN 0.888 nan 8.230 nan 0.000 0.469 149 N N 1.343 120.156 118.700 0.188 0.000 2.699 149 N HA 0.265 5.007 4.740 0.003 0.000 0.232 149 N C 0.262 175.887 175.510 0.193 0.000 1.027 149 N CA -0.371 52.775 53.050 0.159 0.000 0.920 149 N CB 0.858 39.402 38.487 0.095 0.000 1.148 149 N HN 0.761 nan 8.380 nan 0.000 0.509 150 F N 2.670 122.679 119.950 0.098 0.000 2.115 150 F HA -0.308 4.221 4.527 0.004 0.000 0.300 150 F C 2.541 178.381 175.800 0.067 0.000 1.092 150 F CA 2.058 60.101 58.000 0.072 0.000 1.245 150 F CB -0.172 38.796 39.000 -0.053 0.000 0.995 150 F HN 0.413 nan 8.300 nan 0.000 0.481 151 T N -2.457 112.142 114.554 0.075 0.000 2.708 151 T HA -0.218 4.134 4.350 0.003 0.000 0.266 151 T C 1.768 176.427 174.700 -0.068 0.000 1.037 151 T CA 1.759 63.846 62.100 -0.021 0.000 1.146 151 T CB -0.660 68.220 68.868 0.021 0.000 0.865 151 T HN 0.491 nan 8.240 nan 0.000 0.435 152 E N 0.898 121.087 120.200 -0.019 0.000 2.122 152 E HA -0.048 4.304 4.350 0.003 0.000 0.190 152 E C 1.839 178.427 176.600 -0.020 0.000 0.977 152 E CA 1.027 57.419 56.400 -0.013 0.000 0.820 152 E CB 0.015 29.725 29.700 0.017 0.000 0.770 152 E HN 0.550 nan 8.360 nan 0.000 0.462 153 D N -1.037 119.363 120.400 -0.002 0.000 2.323 153 D HA -0.048 4.594 4.640 0.003 0.000 0.209 153 D C 0.835 177.156 176.300 0.034 0.000 0.973 153 D CA 0.831 54.856 54.000 0.042 0.000 0.874 153 D CB 0.327 41.205 40.800 0.130 0.000 0.930 153 D HN 0.198 nan 8.370 nan 0.000 0.521 154 Y N -0.211 119.908 120.300 -0.301 0.000 3.032 154 Y HA 0.329 4.882 4.550 0.004 0.000 0.232 154 Y C 1.972 177.631 175.900 -0.402 0.000 1.099 154 Y CA 0.522 58.399 58.100 -0.372 0.000 1.328 154 Y CB -0.211 37.929 38.460 -0.533 0.000 1.432 154 Y HN -0.148 nan 8.280 nan 0.000 0.433 155 A N 0.832 123.329 122.820 -0.539 0.000 1.948 155 A HA -0.212 4.110 4.320 0.003 0.000 0.220 155 A C 1.822 179.342 177.584 -0.107 0.000 1.177 155 A CA 2.446 54.342 52.037 -0.235 0.000 0.636 155 A CB -0.564 18.331 19.000 -0.176 0.000 0.815 155 A HN 0.683 nan 8.150 nan 0.000 0.449 156 E N -1.010 119.113 120.200 -0.128 0.000 2.024 156 E HA -0.061 4.291 4.350 0.003 0.000 0.190 156 E C -0.535 176.015 176.600 -0.084 0.000 0.974 156 E CA 0.637 56.990 56.400 -0.078 0.000 0.810 156 E CB -0.454 29.212 29.700 -0.057 0.000 0.775 156 E HN 0.475 nan 8.360 nan 0.000 0.453 157 P HA -0.209 nan 4.420 nan 0.000 0.216 157 P C 1.405 178.649 177.300 -0.094 0.000 1.150 157 P CA 1.207 64.259 63.100 -0.080 0.000 0.837 157 P CB -0.077 31.584 31.700 -0.065 0.000 0.786 158 F N 3.513 123.236 119.950 -0.378 0.000 2.026 158 F HA -0.082 4.447 4.527 0.004 0.000 0.296 158 F C -0.710 174.983 175.800 -0.178 0.000 1.133 158 F CA 1.873 59.631 58.000 -0.404 0.000 1.188 158 F CB -2.079 36.408 39.000 -0.854 0.000 0.968 158 F HN -0.023 nan 8.300 nan 0.000 0.476 159 P HA -0.108 nan 4.420 nan 0.000 0.220 159 P C 2.184 179.387 177.300 -0.163 0.000 1.152 159 P CA 1.805 64.698 63.100 -0.345 0.000 0.812 159 P CB -0.158 31.466 31.700 -0.127 0.000 0.792 160 I N -0.023 120.491 120.570 -0.094 0.000 2.252 160 I HA -0.165 4.007 4.170 0.003 0.000 0.245 160 I C 2.815 178.943 176.117 0.017 0.000 1.102 160 I CA 1.270 62.563 61.300 -0.012 0.000 1.385 160 I CB -0.514 37.475 38.000 -0.019 0.000 1.064 160 I HN -0.137 nan 8.210 nan 0.000 0.414 161 R N 0.484 120.960 120.500 -0.042 0.000 2.120 161 R HA -0.107 4.235 4.340 0.003 0.000 0.234 161 R C 2.258 178.528 176.300 -0.051 0.000 1.123 161 R CA 1.077 57.158 56.100 -0.032 0.000 0.975 161 R CB -0.159 30.119 30.300 -0.036 0.000 0.866 161 R HN 0.280 nan 8.270 nan 0.000 0.446 162 I N 0.180 120.684 120.570 -0.110 0.000 2.179 162 I HA -0.260 3.912 4.170 0.003 0.000 0.242 162 I C 2.192 178.276 176.117 -0.055 0.000 1.088 162 I CA 1.315 62.544 61.300 -0.119 0.000 1.357 162 I CB -0.863 36.998 38.000 -0.231 0.000 1.051 162 I HN 0.070 nan 8.210 nan 0.000 0.409 163 F N 1.537 121.418 119.950 -0.117 0.000 2.134 163 F HA -0.219 4.309 4.527 0.001 0.000 0.299 163 F C 2.549 178.321 175.800 -0.046 0.000 1.097 163 F CA 1.516 59.471 58.000 -0.075 0.000 1.264 163 F CB -0.133 38.824 39.000 -0.072 0.000 1.001 163 F HN -0.082 nan 8.300 nan 0.000 0.479 164 M N -0.325 119.258 119.600 -0.028 0.000 2.213 164 M HA -0.128 4.354 4.480 0.003 0.000 0.263 164 M C 2.234 178.446 176.300 -0.146 0.000 1.062 164 M CA 1.138 56.392 55.300 -0.077 0.000 1.105 164 M CB -1.490 31.131 32.600 0.035 0.000 1.385 164 M HN 0.371 nan 8.290 nan 0.000 0.417 165 L N 0.731 121.880 121.223 -0.123 0.000 2.027 165 L HA -0.125 4.216 4.340 0.003 0.000 0.206 165 L C 2.233 179.009 176.870 -0.157 0.000 1.074 165 L CA 1.518 56.293 54.840 -0.107 0.000 0.745 165 L CB -1.086 40.927 42.059 -0.077 0.000 0.898 165 L HN 0.226 nan 8.230 nan 0.000 0.433 166 L N 0.258 121.347 121.223 -0.223 0.000 2.079 166 L HA -0.065 4.277 4.340 0.003 0.000 0.210 166 L C 2.274 178.959 176.870 -0.309 0.000 1.081 166 L CA 2.135 56.826 54.840 -0.248 0.000 0.752 166 L CB -1.029 40.867 42.059 -0.272 0.000 0.896 166 L HN 0.309 nan 8.230 nan 0.000 0.433 167 A N -1.057 121.479 122.820 -0.473 0.000 2.218 167 A HA 0.377 4.699 4.320 0.003 0.000 0.209 167 A C 1.626 179.103 177.584 -0.179 0.000 1.168 167 A CA 0.545 52.351 52.037 -0.385 0.000 0.804 167 A CB -0.935 17.717 19.000 -0.580 0.000 0.834 167 A HN 0.885 nan 8.150 nan 0.000 0.482 168 G N -0.610 108.103 108.800 -0.145 0.000 2.246 168 G HA2 -0.208 3.754 3.960 0.003 0.000 0.273 168 G HA3 -0.208 3.754 3.960 0.003 0.000 0.273 168 G C -0.148 174.731 174.900 -0.035 0.000 1.055 168 G CA 0.548 45.603 45.100 -0.075 0.000 0.851 168 G HN 0.481 nan 8.290 nan 0.000 0.500 169 L N -0.366 120.844 121.223 -0.021 0.000 2.334 169 L HA 0.489 4.831 4.340 0.003 0.000 0.276 169 L C -1.989 174.916 176.870 0.058 0.000 1.014 169 L CA -2.537 52.336 54.840 0.055 0.000 0.815 169 L CB 1.959 44.098 42.059 0.133 0.000 1.268 169 L HN -0.133 nan 8.230 nan 0.000 0.428 170 P HA 0.032 nan 4.420 nan 0.000 0.264 170 P C 0.112 177.454 177.300 0.070 0.000 1.193 170 P CA 0.011 63.150 63.100 0.065 0.000 0.763 170 P CB 0.537 32.281 31.700 0.074 0.000 0.810 171 E N 2.625 122.852 120.200 0.045 0.000 2.204 171 E HA -0.223 4.129 4.350 0.003 0.000 0.195 171 E C 1.317 177.943 176.600 0.045 0.000 0.990 171 E CA 1.037 57.462 56.400 0.041 0.000 0.821 171 E CB 0.003 29.718 29.700 0.025 0.000 0.750 171 E HN 0.691 nan 8.360 nan 0.000 0.477 172 E N 1.034 121.263 120.200 0.048 0.000 2.409 172 E HA -0.174 4.178 4.350 0.003 0.000 0.198 172 E C 0.777 177.415 176.600 0.064 0.000 1.024 172 E CA 0.886 57.314 56.400 0.047 0.000 0.861 172 E CB 0.019 29.743 29.700 0.040 0.000 0.788 172 E HN 0.124 nan 8.360 nan 0.000 0.521 173 D N 0.802 121.253 120.400 0.086 0.000 2.348 173 D HA 0.077 4.719 4.640 0.003 0.000 0.211 173 D C 1.767 178.100 176.300 0.055 0.000 0.998 173 D CA 0.189 54.253 54.000 0.106 0.000 0.873 173 D CB 0.028 40.938 40.800 0.184 0.000 0.925 173 D HN 0.285 nan 8.370 nan 0.000 0.524 174 I N 1.472 122.068 120.570 0.043 0.000 2.151 174 I HA -0.233 3.939 4.170 0.003 0.000 0.243 174 I C -0.582 175.549 176.117 0.024 0.000 1.080 174 I CA 1.309 62.621 61.300 0.020 0.000 1.339 174 I CB -1.312 36.701 38.000 0.022 0.000 1.039 174 I HN 0.008 nan 8.210 nan 0.000 0.409 175 P HA -0.217 nan 4.420 nan 0.000 0.216 175 P C 1.494 178.855 177.300 0.102 0.000 1.153 175 P CA 1.661 64.798 63.100 0.062 0.000 0.858 175 P CB -0.056 31.677 31.700 0.055 0.000 0.789 176 H N -0.559 118.513 119.070 0.004 0.000 2.326 176 H HA -0.022 4.538 4.556 0.007 0.000 0.301 176 H C 1.806 177.138 175.328 0.007 0.000 1.081 176 H CA 1.446 57.505 56.048 0.017 0.000 1.334 176 H CB -1.029 28.727 29.762 -0.011 0.000 1.385 176 H HN -0.058 nan 8.280 nan 0.000 0.504 177 L N -0.034 121.086 121.223 -0.170 0.000 2.046 177 L HA -0.153 4.189 4.340 0.003 0.000 0.208 177 L C 2.533 179.288 176.870 -0.192 0.000 1.077 177 L CA 1.628 56.296 54.840 -0.287 0.000 0.747 177 L CB -0.443 41.451 42.059 -0.276 0.000 0.896 177 L HN 0.213 nan 8.230 nan 0.000 0.432 178 K N 0.074 120.416 120.400 -0.096 0.000 2.057 178 K HA -0.256 4.066 4.320 0.003 0.000 0.207 178 K C 2.137 178.700 176.600 -0.063 0.000 1.049 178 K CA 1.610 57.855 56.287 -0.069 0.000 0.931 178 K CB -0.655 31.832 32.500 -0.022 0.000 0.714 178 K HN 0.266 nan 8.250 nan 0.000 0.440 179 Y N 0.780 121.008 120.300 -0.120 0.000 2.145 179 Y HA -0.148 4.404 4.550 0.003 0.000 0.286 179 Y C 1.587 177.405 175.900 -0.137 0.000 1.145 179 Y CA 1.848 59.887 58.100 -0.102 0.000 1.148 179 Y CB -0.236 38.175 38.460 -0.081 0.000 0.981 179 Y HN 0.028 nan 8.280 nan 0.000 0.507 180 L N -0.149 120.861 121.223 -0.354 0.000 2.017 180 L HA -0.225 4.117 4.340 0.003 0.000 0.208 180 L C 2.687 179.355 176.870 -0.337 0.000 1.073 180 L CA 2.072 56.660 54.840 -0.419 0.000 0.745 180 L CB -1.302 40.546 42.059 -0.351 0.000 0.894 180 L HN 0.421 nan 8.230 nan 0.000 0.432 181 T N -3.769 110.639 114.554 -0.243 0.000 2.788 181 T HA -0.185 4.167 4.350 0.003 0.000 0.268 181 T C 1.447 176.078 174.700 -0.116 0.000 1.044 181 T CA 1.454 63.459 62.100 -0.157 0.000 1.139 181 T CB -0.401 68.382 68.868 -0.140 0.000 0.867 181 T HN 0.185 nan 8.240 nan 0.000 0.454 182 D N 1.120 121.424 120.400 -0.160 0.000 2.219 182 D HA -0.044 4.598 4.640 0.003 0.000 0.205 182 D C 2.373 178.592 176.300 -0.133 0.000 0.970 182 D CA 0.708 54.639 54.000 -0.115 0.000 0.851 182 D CB -0.257 40.477 40.800 -0.109 0.000 0.943 182 D HN 0.366 nan 8.370 nan 0.000 0.488 183 Q N -0.517 119.118 119.800 -0.275 0.000 2.297 183 Q HA 0.080 4.422 4.340 0.003 0.000 0.204 183 Q C 1.972 177.942 176.000 -0.050 0.000 0.962 183 Q CA 0.491 56.155 55.803 -0.231 0.000 0.879 183 Q CB -0.140 28.363 28.738 -0.393 0.000 0.947 183 Q HN 0.449 nan 8.270 nan 0.000 0.462 184 M N -0.374 119.234 119.600 0.013 0.000 2.506 184 M HA -0.029 4.453 4.480 0.003 0.000 0.260 184 M C 1.585 178.163 176.300 0.462 0.000 1.104 184 M CA 1.449 56.925 55.300 0.293 0.000 1.112 184 M CB 0.122 32.864 32.600 0.238 0.000 1.401 184 M HN 0.209 nan 8.290 nan 0.000 0.473 185 T N -2.642 112.064 114.554 0.254 0.000 3.026 185 T HA 0.216 4.568 4.350 0.003 0.000 0.245 185 T C 1.080 175.921 174.700 0.236 0.000 1.004 185 T CA -0.243 61.993 62.100 0.226 0.000 1.069 185 T CB 0.245 69.204 68.868 0.152 0.000 1.005 185 T HN 0.238 nan 8.240 nan 0.000 0.472 186 R N 2.357 122.952 120.500 0.158 0.000 2.674 186 R HA 0.318 4.660 4.340 0.003 0.000 0.270 186 R C -2.956 173.374 176.300 0.050 0.000 1.492 186 R CA -1.612 54.584 56.100 0.159 0.000 1.624 186 R CB 1.176 31.554 30.300 0.130 0.000 1.307 186 R HN 0.360 nan 8.270 nan 0.000 0.683 187 P HA -0.050 nan 4.420 nan 0.000 0.263 187 P C -0.358 176.911 177.300 -0.052 0.000 1.195 187 P CA 0.314 63.371 63.100 -0.071 0.000 0.762 187 P CB 0.841 32.471 31.700 -0.116 0.000 0.799 188 D N 1.808 122.195 120.400 -0.022 0.000 2.340 188 D HA 0.111 4.753 4.640 0.003 0.000 0.220 188 D C 1.440 177.745 176.300 0.009 0.000 1.039 188 D CA 0.460 54.467 54.000 0.013 0.000 0.866 188 D CB -0.291 40.540 40.800 0.052 0.000 0.913 188 D HN 0.594 nan 8.370 nan 0.000 0.523 189 G N -0.038 108.756 108.800 -0.009 0.000 2.213 189 G HA2 -0.345 3.617 3.960 0.003 0.000 0.226 189 G HA3 -0.345 3.617 3.960 0.003 0.000 0.226 189 G C 1.275 176.187 174.900 0.021 0.000 0.992 189 G CA 0.541 45.639 45.100 -0.005 0.000 0.632 189 G HN 0.622 nan 8.290 nan 0.000 0.511 190 S N -0.888 114.845 115.700 0.054 0.000 2.461 190 S HA 0.522 4.994 4.470 0.003 0.000 0.228 190 S C 0.911 175.560 174.600 0.081 0.000 1.005 190 S CA 1.204 59.455 58.200 0.084 0.000 0.942 190 S CB 0.254 63.545 63.200 0.152 0.000 0.776 190 S HN 0.565 nan 8.310 nan 0.000 0.514 191 M N 2.156 121.786 119.600 0.049 0.000 2.378 191 M HA 0.331 4.813 4.480 0.003 0.000 0.289 191 M C -0.693 175.602 176.300 -0.010 0.000 1.136 191 M CA -0.468 54.844 55.300 0.021 0.000 0.917 191 M CB 2.536 35.139 32.600 0.006 0.000 1.669 191 M HN 0.305 nan 8.290 nan 0.000 0.461 192 T N -0.578 113.977 114.554 0.001 0.000 2.816 192 T HA 0.247 4.599 4.350 0.003 0.000 0.282 192 T C 0.740 175.458 174.700 0.031 0.000 0.993 192 T CA -0.499 61.618 62.100 0.029 0.000 0.994 192 T CB 0.679 69.573 68.868 0.044 0.000 1.025 192 T HN 0.592 nan 8.240 nan 0.000 0.529 193 F N 1.438 121.374 119.950 -0.024 0.000 2.126 193 F HA 0.018 4.550 4.527 0.008 0.000 0.299 193 F C 2.521 178.274 175.800 -0.079 0.000 1.096 193 F CA 1.745 59.734 58.000 -0.018 0.000 1.255 193 F CB -0.964 38.069 39.000 0.056 0.000 0.997 193 F HN 0.733 nan 8.300 nan 0.000 0.479 194 A N 0.208 123.079 122.820 0.084 0.000 1.908 194 A HA -0.228 4.093 4.320 0.003 0.000 0.218 194 A C 2.104 179.595 177.584 -0.154 0.000 1.181 194 A CA 2.001 54.019 52.037 -0.031 0.000 0.627 194 A CB -0.937 18.096 19.000 0.054 0.000 0.818 194 A HN 0.585 nan 8.150 nan 0.000 0.445 195 E N -0.338 119.802 120.200 -0.101 0.000 2.106 195 E HA -0.058 4.294 4.350 0.003 0.000 0.192 195 E C 2.277 178.787 176.600 -0.150 0.000 0.984 195 E CA 0.881 57.229 56.400 -0.088 0.000 0.806 195 E CB -0.274 29.408 29.700 -0.030 0.000 0.750 195 E HN 0.627 nan 8.360 nan 0.000 0.458 196 A N 1.622 124.299 122.820 -0.239 0.000 1.898 196 A HA -0.198 4.124 4.320 0.003 0.000 0.216 196 A C 2.059 179.403 177.584 -0.400 0.000 1.181 196 A CA 1.331 53.189 52.037 -0.299 0.000 0.620 196 A CB -0.285 18.501 19.000 -0.357 0.000 0.819 196 A HN 0.027 nan 8.150 nan 0.000 0.442 197 K N -0.265 119.766 120.400 -0.616 0.000 2.026 197 K HA -0.208 4.114 4.320 0.003 0.000 0.208 197 K C 2.115 178.349 176.600 -0.609 0.000 1.048 197 K CA 1.651 57.471 56.287 -0.779 0.000 0.929 197 K CB -0.201 31.692 32.500 -1.013 0.000 0.713 197 K HN 0.637 nan 8.250 nan 0.000 0.439 198 E N -0.016 119.972 120.200 -0.354 0.000 2.097 198 E HA -0.235 4.117 4.350 0.003 0.000 0.196 198 E C 1.703 178.282 176.600 -0.034 0.000 1.000 198 E CA 1.318 57.639 56.400 -0.131 0.000 0.804 198 E CB -0.131 29.533 29.700 -0.061 0.000 0.740 198 E HN 0.410 nan 8.360 nan 0.000 0.454 199 A N 0.785 123.573 122.820 -0.053 0.000 1.930 199 A HA -0.128 4.194 4.320 0.003 0.000 0.217 199 A C 2.103 179.739 177.584 0.086 0.000 1.175 199 A CA 1.138 53.205 52.037 0.050 0.000 0.627 199 A CB -0.536 18.494 19.000 0.049 0.000 0.815 199 A HN 0.382 nan 8.150 nan 0.000 0.443 200 L N -1.538 119.666 121.223 -0.032 0.000 2.056 200 L HA -0.098 4.243 4.340 0.003 0.000 0.207 200 L C 2.242 179.272 176.870 0.267 0.000 1.078 200 L CA 1.801 56.666 54.840 0.042 0.000 0.749 200 L CB -0.796 41.219 42.059 -0.073 0.000 0.901 200 L HN 0.448 nan 8.230 nan 0.000 0.433 201 Y N -0.212 120.140 120.300 0.086 0.000 2.242 201 Y HA -0.207 4.343 4.550 0.000 0.000 0.291 201 Y C 2.568 178.526 175.900 0.097 0.000 1.137 201 Y CA 1.169 59.319 58.100 0.084 0.000 1.181 201 Y CB -1.092 37.385 38.460 0.027 0.000 0.989 201 Y HN 0.395 nan 8.280 nan 0.000 0.527 202 D N -1.025 119.534 120.400 0.264 0.000 2.149 202 D HA -0.264 4.378 4.640 0.003 0.000 0.198 202 D C 2.137 178.554 176.300 0.195 0.000 0.990 202 D CA 1.171 55.282 54.000 0.185 0.000 0.839 202 D CB -0.373 40.520 40.800 0.156 0.000 0.948 202 D HN 0.363 nan 8.370 nan 0.000 0.460 203 Y N 0.356 120.735 120.300 0.131 0.000 2.200 203 Y HA -0.018 4.529 4.550 -0.004 0.000 0.290 203 Y C 1.813 177.773 175.900 0.101 0.000 1.137 203 Y CA 1.330 59.504 58.100 0.122 0.000 1.163 203 Y CB -0.132 38.424 38.460 0.160 0.000 0.988 203 Y HN 0.008 nan 8.280 nan 0.000 0.518 204 L N -0.465 120.888 121.223 0.217 0.000 2.179 204 L HA -0.131 4.211 4.340 0.003 0.000 0.208 204 L C 2.340 179.208 176.870 -0.003 0.000 1.096 204 L CA 0.721 55.616 54.840 0.092 0.000 0.779 204 L CB -0.468 41.722 42.059 0.219 0.000 0.922 204 L HN 0.259 nan 8.230 nan 0.000 0.443 205 I N 0.706 121.289 120.570 0.021 0.000 2.087 205 I HA -0.280 3.892 4.170 0.003 0.000 0.240 205 I C -0.133 175.961 176.117 -0.039 0.000 1.054 205 I CA 1.923 63.216 61.300 -0.012 0.000 1.311 205 I CB -1.503 36.501 38.000 0.007 0.000 1.024 205 I HN 0.271 nan 8.210 nan 0.000 0.402 206 P HA -0.110 nan 4.420 nan 0.000 0.219 206 P C 1.868 179.118 177.300 -0.084 0.000 1.150 206 P CA 1.598 64.657 63.100 -0.068 0.000 0.814 206 P CB -0.058 31.598 31.700 -0.075 0.000 0.787 207 I N -0.436 120.059 120.570 -0.124 0.000 2.252 207 I HA -0.195 3.977 4.170 0.003 0.000 0.245 207 I C 2.649 178.728 176.117 -0.063 0.000 1.102 207 I CA 1.239 62.469 61.300 -0.116 0.000 1.385 207 I CB -0.536 37.358 38.000 -0.176 0.000 1.064 207 I HN -0.178 nan 8.210 nan 0.000 0.414 208 I N 0.594 121.135 120.570 -0.047 0.000 2.226 208 I HA -0.269 3.903 4.170 0.003 0.000 0.245 208 I C 2.624 178.725 176.117 -0.027 0.000 1.100 208 I CA 1.256 62.540 61.300 -0.027 0.000 1.374 208 I CB -0.263 37.725 38.000 -0.020 0.000 1.057 208 I HN 0.219 nan 8.210 nan 0.000 0.413 209 E N 1.149 121.330 120.200 -0.032 0.000 2.077 209 E HA -0.300 4.052 4.350 0.003 0.000 0.193 209 E C 2.120 178.703 176.600 -0.027 0.000 0.989 209 E CA 1.632 58.016 56.400 -0.027 0.000 0.800 209 E CB -0.233 29.450 29.700 -0.028 0.000 0.746 209 E HN 0.450 nan 8.360 nan 0.000 0.452 210 Q N -0.062 119.718 119.800 -0.034 0.000 2.084 210 Q HA -0.142 4.200 4.340 0.003 0.000 0.202 210 Q C 1.930 177.914 176.000 -0.027 0.000 0.978 210 Q CA 1.442 57.226 55.803 -0.032 0.000 0.844 210 Q CB -0.020 28.694 28.738 -0.040 0.000 0.898 210 Q HN 0.198 nan 8.270 nan 0.000 0.426 211 R N -0.538 119.946 120.500 -0.028 0.000 2.299 211 R HA 0.057 4.398 4.340 0.003 0.000 0.197 211 R C 1.951 178.240 176.300 -0.017 0.000 0.971 211 R CA 0.347 56.433 56.100 -0.023 0.000 1.030 211 R CB 0.142 30.428 30.300 -0.024 0.000 0.932 211 R HN 0.171 nan 8.270 nan 0.000 0.477 212 R N -0.152 120.338 120.500 -0.016 0.000 2.210 212 R HA 0.030 4.372 4.340 0.003 0.000 0.203 212 R C 1.783 178.076 176.300 -0.013 0.000 1.010 212 R CA 0.576 56.668 56.100 -0.013 0.000 1.008 212 R CB 0.307 30.600 30.300 -0.011 0.000 0.923 212 R HN 0.122 nan 8.270 nan 0.000 0.469 213 Q N 0.460 120.251 119.800 -0.015 0.000 2.178 213 Q HA 0.063 4.405 4.340 0.003 0.000 0.195 213 Q C 0.196 176.187 176.000 -0.014 0.000 0.960 213 Q CA 1.146 56.940 55.803 -0.014 0.000 0.843 213 Q CB 0.463 29.192 28.738 -0.015 0.000 0.927 213 Q HN 0.104 nan 8.270 nan 0.000 0.487 214 K N 1.636 122.026 120.400 -0.016 0.000 2.533 214 K HA 0.373 4.695 4.320 0.003 0.000 0.207 214 K C -2.531 174.059 176.600 -0.017 0.000 1.052 214 K CA -1.550 54.728 56.287 -0.016 0.000 1.030 214 K CB 1.176 33.666 32.500 -0.017 0.000 1.522 214 K HN -0.031 nan 8.250 nan 0.000 0.543 215 P HA -0.069 nan 4.420 nan 0.000 0.265 215 P C 0.138 177.428 177.300 -0.018 0.000 1.187 215 P CA 0.194 63.284 63.100 -0.016 0.000 0.766 215 P CB 0.923 32.615 31.700 -0.014 0.000 0.820 216 G N 0.420 109.208 108.800 -0.020 0.000 3.209 216 G HA2 0.490 4.452 3.960 0.003 0.000 0.236 216 G HA3 0.490 4.452 3.960 0.003 0.000 0.236 216 G C 0.245 175.130 174.900 -0.024 0.000 1.329 216 G CA -0.256 44.830 45.100 -0.022 0.000 1.015 216 G HN 0.409 nan 8.290 nan 0.000 0.571 217 T N -1.647 112.891 114.554 -0.027 0.000 3.044 217 T HA 0.199 4.551 4.350 0.003 0.000 0.260 217 T C 0.362 175.039 174.700 -0.038 0.000 1.019 217 T CA 0.274 62.357 62.100 -0.029 0.000 0.921 217 T CB -0.223 68.630 68.868 -0.026 0.000 1.053 217 T HN 0.575 nan 8.240 nan 0.000 0.533 218 D N 1.174 121.546 120.400 -0.045 0.000 2.377 218 D HA 0.326 4.968 4.640 0.003 0.000 0.245 218 D C 1.470 177.732 176.300 -0.063 0.000 1.196 218 D CA -0.105 53.855 54.000 -0.066 0.000 0.962 218 D CB 1.359 42.116 40.800 -0.072 0.000 1.127 218 D HN 0.102 nan 8.370 nan 0.000 0.471 219 A N 1.156 123.921 122.820 -0.092 0.000 1.940 219 A HA -0.157 4.165 4.320 0.003 0.000 0.219 219 A C 2.369 179.932 177.584 -0.035 0.000 1.176 219 A CA 1.130 53.125 52.037 -0.070 0.000 0.631 219 A CB -0.753 18.178 19.000 -0.115 0.000 0.814 219 A HN 0.671 nan 8.150 nan 0.000 0.446 220 I N -0.492 120.054 120.570 -0.040 0.000 2.202 220 I HA -0.206 3.965 4.170 0.003 0.000 0.242 220 I C 2.654 178.767 176.117 -0.006 0.000 1.091 220 I CA 1.429 62.725 61.300 -0.006 0.000 1.368 220 I CB -0.355 37.644 38.000 -0.002 0.000 1.058 220 I HN 0.228 nan 8.210 nan 0.000 0.410 221 S N 0.905 116.594 115.700 -0.018 0.000 2.382 221 S HA -0.118 4.354 4.470 0.003 0.000 0.228 221 S C 2.002 176.596 174.600 -0.009 0.000 1.027 221 S CA 1.260 59.451 58.200 -0.015 0.000 0.991 221 S CB -0.290 62.898 63.200 -0.021 0.000 0.823 221 S HN 0.333 nan 8.310 nan 0.000 0.469 222 I N 0.892 121.456 120.570 -0.011 0.000 2.252 222 I HA -0.132 4.040 4.170 0.003 0.000 0.245 222 I C 2.148 178.269 176.117 0.007 0.000 1.102 222 I CA 0.902 62.199 61.300 -0.005 0.000 1.385 222 I CB -0.426 37.569 38.000 -0.008 0.000 1.064 222 I HN 0.158 nan 8.210 nan 0.000 0.414 223 V N 1.013 120.937 119.914 0.017 0.000 2.307 223 V HA -0.233 3.889 4.120 0.003 0.000 0.245 223 V C 2.693 178.807 176.094 0.034 0.000 1.045 223 V CA 1.929 64.250 62.300 0.036 0.000 1.024 223 V CB -0.921 30.932 31.823 0.051 0.000 0.651 223 V HN 0.477 nan 8.190 nan 0.000 0.449 224 A N 0.197 123.030 122.820 0.021 0.000 2.019 224 A HA -0.201 4.121 4.320 0.003 0.000 0.219 224 A C 1.782 179.372 177.584 0.010 0.000 1.164 224 A CA 2.140 54.186 52.037 0.015 0.000 0.644 224 A CB -0.632 18.370 19.000 0.004 0.000 0.805 224 A HN 0.696 nan 8.150 nan 0.000 0.449 225 N N -0.874 117.829 118.700 0.006 0.000 2.203 225 N HA 0.281 5.023 4.740 0.003 0.000 0.207 225 N C 0.781 176.291 175.510 0.000 0.000 1.130 225 N CA 0.275 53.325 53.050 0.000 0.000 0.861 225 N CB 0.580 39.064 38.487 -0.005 0.000 1.005 225 N HN 0.421 nan 8.380 nan 0.000 0.507 226 G N -0.046 108.758 108.800 0.006 0.000 2.616 226 G HA2 0.285 4.247 3.960 0.003 0.000 0.268 226 G HA3 0.285 4.247 3.960 0.003 0.000 0.268 226 G C -0.420 174.475 174.900 -0.009 0.000 1.213 226 G CA -0.240 44.861 45.100 0.000 0.000 0.926 226 G HN 0.096 nan 8.290 nan 0.000 0.523 227 Q N -1.586 118.197 119.800 -0.028 0.000 2.394 227 Q HA 0.508 4.850 4.340 0.003 0.000 0.273 227 Q C -0.897 175.046 176.000 -0.096 0.000 1.089 227 Q CA -0.916 54.856 55.803 -0.051 0.000 0.812 227 Q CB 2.818 31.528 28.738 -0.047 0.000 1.353 227 Q HN 0.534 nan 8.270 nan 0.000 0.438 228 V N -0.101 119.721 119.914 -0.152 0.000 2.407 228 V HA 0.460 4.582 4.120 0.003 0.000 0.291 228 V C -0.225 175.738 176.094 -0.219 0.000 1.018 228 V CA -0.871 61.264 62.300 -0.275 0.000 0.842 228 V CB 1.296 32.768 31.823 -0.584 0.000 0.996 228 V HN 0.875 nan 8.190 nan 0.000 0.426 229 N N 3.487 122.081 118.700 -0.178 0.000 2.716 229 N HA -0.176 4.565 4.740 0.003 0.000 0.250 229 N C 1.311 176.766 175.510 -0.092 0.000 1.033 229 N CA 2.206 55.180 53.050 -0.126 0.000 0.727 229 N CB -1.147 37.259 38.487 -0.134 0.000 0.950 229 N HN 2.020 nan 8.380 nan 0.000 0.541 230 G N -1.891 106.861 108.800 -0.081 0.000 2.217 230 G HA2 -0.366 3.596 3.960 0.003 0.000 0.246 230 G HA3 -0.366 3.596 3.960 0.003 0.000 0.246 230 G C 0.036 174.905 174.900 -0.051 0.000 0.990 230 G CA 0.639 45.704 45.100 -0.058 0.000 0.627 230 G HN 0.842 nan 8.290 nan 0.000 0.522 231 R N 0.090 120.553 120.500 -0.062 0.000 2.732 231 R HA 0.749 5.091 4.340 0.003 0.000 0.278 231 R C -3.122 173.154 176.300 -0.041 0.000 0.976 231 R CA -2.568 53.505 56.100 -0.045 0.000 0.963 231 R CB 0.276 30.553 30.300 -0.038 0.000 1.150 231 R HN 0.077 nan 8.270 nan 0.000 0.478 232 P HA -0.022 nan 4.420 nan 0.000 0.265 232 P C -0.359 176.944 177.300 0.006 0.000 1.193 232 P CA -0.008 63.086 63.100 -0.009 0.000 0.765 232 P CB 0.445 32.142 31.700 -0.004 0.000 0.823 233 I N 2.599 123.181 120.570 0.019 0.000 2.638 233 I HA 0.152 4.324 4.170 0.003 0.000 0.286 233 I C 0.735 176.886 176.117 0.058 0.000 1.088 233 I CA -0.091 61.249 61.300 0.067 0.000 1.397 233 I CB 0.951 39.006 38.000 0.091 0.000 1.414 233 I HN 0.390 nan 8.210 nan 0.000 0.566 234 T N 2.082 116.681 114.554 0.075 0.000 2.881 234 T HA 0.230 4.582 4.350 0.003 0.000 0.278 234 T C 1.006 175.718 174.700 0.019 0.000 0.982 234 T CA -0.490 61.633 62.100 0.038 0.000 0.989 234 T CB 1.540 70.429 68.868 0.035 0.000 1.058 234 T HN 0.642 nan 8.240 nan 0.000 0.529 235 S N 0.640 116.338 115.700 -0.004 0.000 2.382 235 S HA -0.106 4.366 4.470 0.003 0.000 0.228 235 S C 1.616 176.184 174.600 -0.054 0.000 1.027 235 S CA 1.217 59.403 58.200 -0.023 0.000 0.991 235 S CB -0.527 62.657 63.200 -0.027 0.000 0.823 235 S HN 0.770 nan 8.310 nan 0.000 0.469 236 D N 1.317 121.681 120.400 -0.061 0.000 2.117 236 D HA -0.073 4.569 4.640 0.003 0.000 0.198 236 D C 1.986 178.211 176.300 -0.123 0.000 0.982 236 D CA 0.979 54.911 54.000 -0.113 0.000 0.828 236 D CB -0.326 40.421 40.800 -0.088 0.000 0.967 236 D HN 0.513 nan 8.370 nan 0.000 0.464 237 E N 0.773 120.939 120.200 -0.056 0.000 2.077 237 E HA -0.105 4.247 4.350 0.003 0.000 0.193 237 E C 2.105 178.693 176.600 -0.019 0.000 0.989 237 E CA 0.975 57.345 56.400 -0.050 0.000 0.800 237 E CB -0.051 29.701 29.700 0.088 0.000 0.746 237 E HN 0.181 nan 8.360 nan 0.000 0.452 238 A N 1.768 124.592 122.820 0.007 0.000 1.933 238 A HA -0.238 4.083 4.320 0.003 0.000 0.218 238 A C 2.081 179.659 177.584 -0.010 0.000 1.175 238 A CA 1.618 53.667 52.037 0.020 0.000 0.628 238 A CB -0.372 18.638 19.000 0.017 0.000 0.814 238 A HN 0.078 nan 8.150 nan 0.000 0.444 239 K N -0.341 120.007 120.400 -0.087 0.000 2.057 239 K HA -0.128 4.194 4.320 0.003 0.000 0.206 239 K C 2.193 178.706 176.600 -0.145 0.000 1.050 239 K CA 1.317 57.508 56.287 -0.161 0.000 0.935 239 K CB -0.177 32.108 32.500 -0.359 0.000 0.715 239 K HN 0.437 nan 8.250 nan 0.000 0.439 240 R N 0.044 120.438 120.500 -0.177 0.000 2.148 240 R HA -0.070 4.272 4.340 0.003 0.000 0.227 240 R C 2.345 178.755 176.300 0.185 0.000 1.103 240 R CA 1.497 57.627 56.100 0.049 0.000 0.983 240 R CB -0.161 30.112 30.300 -0.045 0.000 0.874 240 R HN 0.340 nan 8.270 nan 0.000 0.451 241 M N -0.330 119.316 119.600 0.077 0.000 2.216 241 M HA -0.101 4.381 4.480 0.003 0.000 0.264 241 M C 1.883 178.230 176.300 0.078 0.000 1.080 241 M CA 1.404 56.753 55.300 0.083 0.000 1.153 241 M CB 0.092 32.746 32.600 0.090 0.000 1.356 241 M HN 0.203 nan 8.290 nan 0.000 0.432 242 C N 0.682 120.039 119.300 0.094 0.000 2.422 242 C HA -0.046 4.416 4.460 0.003 0.000 0.279 242 C C 2.726 177.781 174.990 0.109 0.000 1.305 242 C CA 0.996 60.084 59.018 0.115 0.000 1.757 242 C CB -1.911 25.902 27.740 0.122 0.000 1.962 242 C HN 0.814 nan 8.230 nan 0.000 0.499 243 G N 0.333 109.226 108.800 0.154 0.000 2.418 243 G HA2 -0.197 3.765 3.960 0.003 0.000 0.217 243 G HA3 -0.197 3.765 3.960 0.003 0.000 0.217 243 G C 1.508 176.134 174.900 -0.456 0.000 1.158 243 G CA 0.877 46.040 45.100 0.105 0.000 0.771 243 G HN 0.462 nan 8.290 nan 0.000 0.545 244 L N 0.543 121.411 121.223 -0.592 0.000 2.056 244 L HA 0.122 4.464 4.340 0.003 0.000 0.207 244 L C 2.690 179.347 176.870 -0.354 0.000 1.078 244 L CA 1.269 55.656 54.840 -0.754 0.000 0.749 244 L CB -0.416 41.421 42.059 -0.369 0.000 0.901 244 L HN 0.206 nan 8.230 nan 0.000 0.433 245 L N -1.420 119.719 121.223 -0.140 0.000 2.046 245 L HA -0.249 4.093 4.340 0.003 0.000 0.208 245 L C 2.551 179.263 176.870 -0.264 0.000 1.077 245 L CA 1.234 56.059 54.840 -0.026 0.000 0.747 245 L CB -0.595 41.597 42.059 0.222 0.000 0.896 245 L HN 0.309 nan 8.230 nan 0.000 0.432 246 L N -0.808 120.299 121.223 -0.193 0.000 2.046 246 L HA -0.210 4.132 4.340 0.003 0.000 0.208 246 L C 2.510 179.078 176.870 -0.503 0.000 1.077 246 L CA 0.963 55.569 54.840 -0.390 0.000 0.747 246 L CB -0.271 41.747 42.059 -0.068 0.000 0.896 246 L HN 0.056 nan 8.230 nan 0.000 0.432 247 V N -0.293 119.389 119.914 -0.385 0.000 2.343 247 V HA -0.216 3.906 4.120 0.003 0.000 0.247 247 V C 2.560 178.493 176.094 -0.269 0.000 1.051 247 V CA 1.960 64.084 62.300 -0.294 0.000 1.036 247 V CB -1.217 30.440 31.823 -0.277 0.000 0.654 247 V HN 0.589 nan 8.190 nan 0.000 0.451 248 G N -0.055 108.571 108.800 -0.290 0.000 2.422 248 G HA2 -0.131 3.831 3.960 0.003 0.000 0.218 248 G HA3 -0.131 3.831 3.960 0.003 0.000 0.218 248 G C 1.577 176.297 174.900 -0.299 0.000 1.146 248 G CA 0.894 45.867 45.100 -0.211 0.000 0.769 248 G HN 0.592 nan 8.290 nan 0.000 0.547 249 G N 0.161 108.577 108.800 -0.641 0.000 2.464 249 G HA2 0.078 4.040 3.960 0.003 0.000 0.217 249 G HA3 0.078 4.040 3.960 0.003 0.000 0.217 249 G C 1.445 176.081 174.900 -0.441 0.000 1.138 249 G CA 0.435 45.089 45.100 -0.744 0.000 0.793 249 G HN 0.341 nan 8.290 nan 0.000 0.539 250 L N -0.418 120.564 121.223 -0.402 0.000 2.590 250 L HA 0.371 4.713 4.340 0.003 0.000 0.227 250 L C 0.660 177.455 176.870 -0.126 0.000 1.099 250 L CA 0.646 55.357 54.840 -0.214 0.000 0.872 250 L CB 0.746 42.685 42.059 -0.201 0.000 1.088 250 L HN 0.068 nan 8.230 nan 0.000 0.479 251 D N -2.087 118.246 120.400 -0.111 0.000 2.865 251 D HA 0.116 4.758 4.640 0.003 0.000 0.347 251 D C 1.027 177.325 176.300 -0.004 0.000 1.498 251 D CA 0.824 54.797 54.000 -0.044 0.000 0.787 251 D CB 0.504 41.285 40.800 -0.032 0.000 1.190 251 D HN 0.217 nan 8.370 nan 0.000 0.445 252 T N -4.351 110.204 114.554 0.002 0.000 3.429 252 T HA 0.076 4.428 4.350 0.003 0.000 0.212 252 T C 1.798 176.564 174.700 0.109 0.000 0.980 252 T CA 0.560 62.687 62.100 0.045 0.000 1.201 252 T CB -0.523 68.361 68.868 0.027 0.000 1.289 252 T HN -0.166 nan 8.240 nan 0.000 0.346 253 V N 2.537 122.517 119.914 0.111 0.000 2.392 253 V HA -0.155 3.966 4.120 0.003 0.000 0.249 253 V C 2.930 179.148 176.094 0.206 0.000 1.059 253 V CA 1.693 64.113 62.300 0.200 0.000 1.051 253 V CB -1.056 30.866 31.823 0.165 0.000 0.658 253 V HN 0.444 nan 8.190 nan 0.000 0.455 254 V N 0.918 120.896 119.914 0.107 0.000 2.317 254 V HA -0.309 3.813 4.120 0.003 0.000 0.251 254 V C 2.272 178.407 176.094 0.068 0.000 1.065 254 V CA 2.439 64.779 62.300 0.068 0.000 1.049 254 V CB -0.766 31.061 31.823 0.006 0.000 0.651 254 V HN 0.645 nan 8.190 nan 0.000 0.450 255 N N -0.876 117.872 118.700 0.081 0.000 2.251 255 N HA -0.070 4.672 4.740 0.003 0.000 0.181 255 N C 1.772 177.335 175.510 0.089 0.000 1.019 255 N CA 1.208 54.271 53.050 0.022 0.000 0.862 255 N CB -0.353 38.181 38.487 0.079 0.000 0.992 255 N HN 0.496 nan 8.380 nan 0.000 0.429 256 F N 2.625 122.659 119.950 0.140 0.000 2.161 256 F HA -0.051 4.478 4.527 0.003 0.000 0.300 256 F C 2.121 178.014 175.800 0.155 0.000 1.089 256 F CA 0.959 59.088 58.000 0.215 0.000 1.282 256 F CB -0.379 38.695 39.000 0.124 0.000 1.010 256 F HN -0.089 nan 8.300 nan 0.000 0.485 257 L N -0.778 120.501 121.223 0.093 0.000 2.042 257 L HA -0.273 4.068 4.340 0.003 0.000 0.210 257 L C 2.543 179.398 176.870 -0.025 0.000 1.076 257 L CA 1.622 56.508 54.840 0.076 0.000 0.749 257 L CB -0.976 41.294 42.059 0.352 0.000 0.893 257 L HN 0.080 nan 8.230 nan 0.000 0.432 258 S N -0.625 115.074 115.700 -0.002 0.000 2.383 258 S HA -0.108 4.364 4.470 0.003 0.000 0.227 258 S C 1.743 176.105 174.600 -0.395 0.000 1.026 258 S CA 1.126 59.250 58.200 -0.127 0.000 0.981 258 S CB -0.272 62.840 63.200 -0.146 0.000 0.818 258 S HN 0.217 nan 8.310 nan 0.000 0.472 259 F N 2.085 121.792 119.950 -0.405 0.000 2.146 259 F HA -0.058 4.471 4.527 0.003 0.000 0.298 259 F C 2.744 177.979 175.800 -0.941 0.000 1.096 259 F CA 0.829 58.447 58.000 -0.637 0.000 1.275 259 F CB -0.902 37.736 39.000 -0.604 0.000 1.008 259 F HN 0.095 nan 8.300 nan 0.000 0.480 260 S N -0.413 114.873 115.700 -0.689 0.000 2.368 260 S HA -0.155 4.317 4.470 0.003 0.000 0.224 260 S C 2.080 176.462 174.600 -0.364 0.000 1.029 260 S CA 1.101 58.957 58.200 -0.574 0.000 0.988 260 S CB -0.228 62.652 63.200 -0.534 0.000 0.838 260 S HN 0.187 nan 8.310 nan 0.000 0.462 261 M N 1.217 120.519 119.600 -0.498 0.000 2.319 261 M HA 0.031 4.513 4.480 0.003 0.000 0.265 261 M C 2.128 178.197 176.300 -0.386 0.000 1.068 261 M CA 0.980 55.916 55.300 -0.605 0.000 1.118 261 M CB -1.069 30.702 32.600 -1.382 0.000 1.395 261 M HN 0.432 nan 8.290 nan 0.000 0.435 262 E N -0.090 119.907 120.200 -0.338 0.000 2.072 262 E HA -0.212 4.140 4.350 0.003 0.000 0.191 262 E C 1.951 178.469 176.600 -0.137 0.000 0.985 262 E CA 1.019 57.306 56.400 -0.187 0.000 0.801 262 E CB -0.116 29.517 29.700 -0.111 0.000 0.750 262 E HN 0.361 nan 8.360 nan 0.000 0.452 263 F N 1.496 121.254 119.950 -0.320 0.000 2.102 263 F HA -0.160 4.369 4.527 0.003 0.000 0.298 263 F C 1.938 177.642 175.800 -0.161 0.000 1.105 263 F CA 1.381 59.245 58.000 -0.227 0.000 1.239 263 F CB -0.288 38.539 39.000 -0.289 0.000 0.991 263 F HN -0.013 nan 8.300 nan 0.000 0.474 264 L N 0.011 121.071 121.223 -0.271 0.000 2.083 264 L HA -0.165 4.177 4.340 0.003 0.000 0.209 264 L C 2.759 179.357 176.870 -0.452 0.000 1.083 264 L CA 1.066 55.717 54.840 -0.315 0.000 0.752 264 L CB -1.188 40.873 42.059 0.004 0.000 0.899 264 L HN 0.286 nan 8.230 nan 0.000 0.433 265 A N -0.053 122.588 122.820 -0.297 0.000 2.015 265 A HA -0.162 4.160 4.320 0.003 0.000 0.219 265 A C 2.146 179.542 177.584 -0.312 0.000 1.163 265 A CA 1.337 53.172 52.037 -0.337 0.000 0.646 265 A CB -0.195 18.812 19.000 0.011 0.000 0.806 265 A HN 0.337 nan 8.150 nan 0.000 0.448 266 K N -0.797 119.420 120.400 -0.305 0.000 2.374 266 K HA 0.149 4.471 4.320 0.003 0.000 0.196 266 K C 0.123 176.531 176.600 -0.321 0.000 1.023 266 K CA 0.354 56.491 56.287 -0.251 0.000 1.103 266 K CB 0.383 32.782 32.500 -0.168 0.000 0.848 266 K HN 0.225 nan 8.250 nan 0.000 0.528 267 S N 1.233 116.657 115.700 -0.461 0.000 2.259 267 S HA 0.268 4.740 4.470 0.003 0.000 0.181 267 S C -2.344 172.099 174.600 -0.261 0.000 1.589 267 S CA -1.710 56.254 58.200 -0.394 0.000 1.234 267 S CB 0.716 63.493 63.200 -0.704 0.000 1.119 267 S HN -0.123 nan 8.310 nan 0.000 0.458 268 P HA -0.152 nan 4.420 nan 0.000 0.216 268 P C 1.265 178.513 177.300 -0.087 0.000 1.153 268 P CA 1.196 64.202 63.100 -0.157 0.000 0.858 268 P CB 0.189 31.817 31.700 -0.120 0.000 0.789 269 E N -1.389 118.771 120.200 -0.066 0.000 2.077 269 E HA -0.222 4.130 4.350 0.003 0.000 0.193 269 E C 1.968 178.528 176.600 -0.066 0.000 0.989 269 E CA 1.269 57.627 56.400 -0.070 0.000 0.800 269 E CB -0.704 28.934 29.700 -0.103 0.000 0.746 269 E HN 0.497 nan 8.360 nan 0.000 0.452 270 H N 0.370 119.409 119.070 -0.050 0.000 2.389 270 H HA 0.039 4.597 4.556 0.003 0.000 0.299 270 H C 2.219 177.676 175.328 0.216 0.000 1.081 270 H CA 1.139 57.245 56.048 0.097 0.000 1.345 270 H CB 0.121 29.921 29.762 0.063 0.000 1.393 270 H HN 0.020 nan 8.280 nan 0.000 0.520 271 R N 0.075 120.673 120.500 0.164 0.000 2.073 271 R HA -0.166 4.176 4.340 0.003 0.000 0.234 271 R C 2.228 178.586 176.300 0.098 0.000 1.134 271 R CA 1.435 57.600 56.100 0.110 0.000 0.952 271 R CB -0.232 30.047 30.300 -0.036 0.000 0.850 271 R HN 0.261 nan 8.270 nan 0.000 0.433 272 Q N 1.267 121.097 119.800 0.050 0.000 2.135 272 Q HA -0.198 4.144 4.340 0.003 0.000 0.204 272 Q C 1.784 177.823 176.000 0.064 0.000 0.981 272 Q CA 1.717 57.544 55.803 0.039 0.000 0.856 272 Q CB -0.102 28.642 28.738 0.009 0.000 0.902 272 Q HN 0.338 nan 8.270 nan 0.000 0.425 273 E N -0.706 119.552 120.200 0.097 0.000 2.085 273 E HA -0.186 4.166 4.350 0.003 0.000 0.194 273 E C 1.700 178.378 176.600 0.129 0.000 0.994 273 E CA 1.295 57.770 56.400 0.126 0.000 0.801 273 E CB -0.099 29.724 29.700 0.205 0.000 0.743 273 E HN 0.441 nan 8.360 nan 0.000 0.453 274 L N 0.318 121.626 121.223 0.141 0.000 2.240 274 L HA -0.059 4.283 4.340 0.003 0.000 0.211 274 L C 2.340 179.244 176.870 0.057 0.000 1.106 274 L CA 0.267 55.149 54.840 0.069 0.000 0.793 274 L CB -0.146 41.937 42.059 0.039 0.000 0.927 274 L HN 0.202 nan 8.230 nan 0.000 0.446 275 I N -0.030 120.580 120.570 0.066 0.000 2.133 275 I HA -0.247 3.925 4.170 0.003 0.000 0.238 275 I C 2.433 178.573 176.117 0.039 0.000 1.074 275 I CA 1.411 62.741 61.300 0.050 0.000 1.342 275 I CB -0.221 37.808 38.000 0.048 0.000 1.053 275 I HN 0.243 nan 8.210 nan 0.000 0.404 276 E N 0.710 120.934 120.200 0.039 0.000 2.110 276 E HA -0.126 4.226 4.350 0.003 0.000 0.193 276 E C 0.657 177.278 176.600 0.034 0.000 0.988 276 E CA 0.865 57.284 56.400 0.032 0.000 0.804 276 E CB 0.001 29.720 29.700 0.031 0.000 0.745 276 E HN 0.422 nan 8.360 nan 0.000 0.458 277 R N 1.026 121.551 120.500 0.042 0.000 2.494 277 R HA 0.138 4.480 4.340 0.003 0.000 0.284 277 R C -2.048 174.271 176.300 0.031 0.000 1.525 277 R CA -1.223 54.901 56.100 0.039 0.000 1.460 277 R CB 1.186 31.515 30.300 0.048 0.000 1.134 277 R HN 0.048 nan 8.270 nan 0.000 0.592 278 P HA -0.194 nan 4.420 nan 0.000 0.223 278 P C 0.699 178.005 177.300 0.010 0.000 1.151 278 P CA 1.118 64.227 63.100 0.016 0.000 0.787 278 P CB 0.428 32.140 31.700 0.020 0.000 0.788 279 E N 0.935 121.145 120.200 0.016 0.000 2.472 279 E HA -0.143 4.209 4.350 0.003 0.000 0.200 279 E C 1.400 178.007 176.600 0.013 0.000 1.046 279 E CA 0.586 56.996 56.400 0.017 0.000 0.871 279 E CB -0.677 29.036 29.700 0.022 0.000 0.806 279 E HN 0.326 nan 8.360 nan 0.000 0.533 280 R N 0.204 120.705 120.500 0.003 0.000 2.359 280 R HA 0.329 4.671 4.340 0.003 0.000 0.231 280 R C 2.066 178.314 176.300 -0.087 0.000 0.913 280 R CA -0.116 55.977 56.100 -0.012 0.000 1.075 280 R CB 0.024 30.334 30.300 0.018 0.000 1.087 280 R HN 0.183 nan 8.270 nan 0.000 0.515 281 I N 1.479 122.006 120.570 -0.072 0.000 2.179 281 I HA -0.169 4.003 4.170 0.003 0.000 0.242 281 I C -0.799 175.281 176.117 -0.062 0.000 1.088 281 I CA 1.278 62.519 61.300 -0.098 0.000 1.357 281 I CB -0.881 37.098 38.000 -0.036 0.000 1.051 281 I HN 0.016 nan 8.210 nan 0.000 0.409 282 P HA -0.152 nan 4.420 nan 0.000 0.216 282 P C 1.469 178.788 177.300 0.031 0.000 1.153 282 P CA 1.705 64.822 63.100 0.028 0.000 0.848 282 P CB 0.008 31.732 31.700 0.041 0.000 0.787 283 A N -0.062 122.768 122.820 0.017 0.000 1.930 283 A HA -0.064 4.258 4.320 0.003 0.000 0.217 283 A C 2.295 179.900 177.584 0.035 0.000 1.175 283 A CA 1.889 53.955 52.037 0.049 0.000 0.627 283 A CB -1.572 17.468 19.000 0.066 0.000 0.815 283 A HN 0.179 nan 8.150 nan 0.000 0.443 284 A N -0.994 121.741 122.820 -0.141 0.000 1.933 284 A HA -0.197 4.125 4.320 0.003 0.000 0.218 284 A C 2.367 179.918 177.584 -0.056 0.000 1.175 284 A CA 1.638 53.432 52.037 -0.404 0.000 0.628 284 A CB -1.413 16.851 19.000 -1.228 0.000 0.814 284 A HN 0.841 nan 8.150 nan 0.000 0.444 285 C N -0.615 118.685 119.300 0.000 0.000 2.413 285 C HA -0.121 4.341 4.460 0.003 0.000 0.276 285 C C 2.577 177.654 174.990 0.144 0.000 1.236 285 C CA 1.847 60.938 59.018 0.121 0.000 1.735 285 C CB -0.988 26.824 27.740 0.120 0.000 2.031 285 C HN 0.679 nan 8.230 nan 0.000 0.474 286 E N 0.649 120.919 120.200 0.117 0.000 2.077 286 E HA -0.185 4.166 4.350 0.003 0.000 0.193 286 E C 2.048 178.700 176.600 0.087 0.000 0.989 286 E CA 1.813 58.281 56.400 0.114 0.000 0.800 286 E CB -0.369 29.424 29.700 0.155 0.000 0.746 286 E HN 0.778 nan 8.360 nan 0.000 0.452 287 E N -0.106 120.181 120.200 0.145 0.000 2.106 287 E HA -0.105 4.247 4.350 0.003 0.000 0.192 287 E C 1.894 178.541 176.600 0.079 0.000 0.984 287 E CA 1.017 57.498 56.400 0.135 0.000 0.806 287 E CB -0.263 29.599 29.700 0.269 0.000 0.750 287 E HN 0.334 nan 8.360 nan 0.000 0.458 288 L N -0.058 121.285 121.223 0.201 0.000 2.093 288 L HA -0.104 4.237 4.340 0.003 0.000 0.208 288 L C 2.462 179.548 176.870 0.361 0.000 1.085 288 L CA 0.744 55.762 54.840 0.297 0.000 0.755 288 L CB -0.364 41.950 42.059 0.424 0.000 0.904 288 L HN 0.219 nan 8.230 nan 0.000 0.435 289 L N -0.476 120.850 121.223 0.172 0.000 2.131 289 L HA -0.222 4.120 4.340 0.003 0.000 0.210 289 L C 2.849 179.476 176.870 -0.405 0.000 1.092 289 L CA 1.139 55.806 54.840 -0.289 0.000 0.759 289 L CB -0.419 41.290 42.059 -0.584 0.000 0.903 289 L HN 0.278 nan 8.230 nan 0.000 0.435 290 R N 0.230 120.528 120.500 -0.336 0.000 2.052 290 R HA -0.178 4.164 4.340 0.003 0.000 0.226 290 R C 2.479 178.606 176.300 -0.289 0.000 1.145 290 R CA 1.304 57.222 56.100 -0.304 0.000 0.952 290 R CB -0.098 30.127 30.300 -0.124 0.000 0.847 290 R HN 0.057 nan 8.270 nan 0.000 0.431 291 R N -0.047 120.237 120.500 -0.359 0.000 2.096 291 R HA -0.091 4.251 4.340 0.003 0.000 0.235 291 R C 0.532 176.314 176.300 -0.864 0.000 1.127 291 R CA 1.571 57.272 56.100 -0.665 0.000 0.968 291 R CB -0.229 29.480 30.300 -0.985 0.000 0.861 291 R HN 0.228 nan 8.270 nan 0.000 0.440 292 F N 0.334 120.178 119.950 -0.177 0.000 2.923 292 F HA 0.425 4.954 4.527 0.003 0.000 0.314 292 F C 0.334 176.006 175.800 -0.214 0.000 1.196 292 F CA -0.566 57.282 58.000 -0.254 0.000 1.320 292 F CB -0.067 38.798 39.000 -0.225 0.000 0.953 292 F HN -0.132 nan 8.300 nan 0.000 0.505 293 S N 1.639 117.222 115.700 -0.196 0.000 2.563 293 S HA 0.235 4.707 4.470 0.003 0.000 0.284 293 S C 0.931 175.341 174.600 -0.317 0.000 1.331 293 S CA -0.038 57.997 58.200 -0.275 0.000 1.047 293 S CB 0.433 63.445 63.200 -0.313 0.000 0.859 293 S HN 0.569 nan 8.310 nan 0.000 0.514 294 L N 2.338 123.391 121.223 -0.284 0.000 3.360 294 L HA 0.582 4.924 4.340 0.003 0.000 0.303 294 L C -0.875 175.829 176.870 -0.277 0.000 1.218 294 L CA -0.543 54.128 54.840 -0.281 0.000 1.059 294 L CB 0.276 42.294 42.059 -0.068 0.000 1.468 294 L HN 0.329 nan 8.230 nan 0.000 0.614 295 V N 1.786 121.526 119.914 -0.289 0.000 2.547 295 V HA 0.847 4.969 4.120 0.003 0.000 0.299 295 V C 0.234 176.134 176.094 -0.322 0.000 1.040 295 V CA 0.017 62.167 62.300 -0.250 0.000 0.913 295 V CB 1.530 33.254 31.823 -0.166 0.000 0.992 295 V HN 0.338 nan 8.190 nan 0.000 0.449 296 A N 3.339 125.980 122.820 -0.298 0.000 2.684 296 A HA 0.679 5.001 4.320 0.003 0.000 0.289 296 A C -0.757 176.724 177.584 -0.172 0.000 1.139 296 A CA -0.621 51.257 52.037 -0.265 0.000 0.793 296 A CB 0.555 19.265 19.000 -0.483 0.000 1.334 296 A HN 0.851 nan 8.150 nan 0.000 0.408 297 D N 1.216 121.565 120.400 -0.084 0.000 2.723 297 D HA 0.864 5.506 4.640 0.003 0.000 0.247 297 D C 0.515 176.833 176.300 0.031 0.000 1.134 297 D CA 0.064 54.012 54.000 -0.087 0.000 1.099 297 D CB 1.042 41.815 40.800 -0.046 0.000 1.287 297 D HN 0.841 nan 8.370 nan 0.000 0.634 298 G N -1.802 107.024 108.800 0.044 0.000 2.677 298 G HA2 0.557 4.519 3.960 0.003 0.000 0.283 298 G HA3 0.557 4.519 3.960 0.003 0.000 0.283 298 G C -1.050 173.866 174.900 0.026 0.000 1.221 298 G CA -0.705 44.405 45.100 0.018 0.000 0.851 298 G HN 0.451 nan 8.290 nan 0.000 0.504 299 R N -1.284 119.222 120.500 0.011 0.000 2.846 299 R HA 0.662 5.004 4.340 0.003 0.000 0.263 299 R C -1.428 174.943 176.300 0.119 0.000 1.080 299 R CA -0.740 55.403 56.100 0.072 0.000 0.961 299 R CB 1.544 31.918 30.300 0.122 0.000 1.231 299 R HN 0.598 nan 8.270 nan 0.000 0.465 300 I N 1.277 121.926 120.570 0.133 0.000 2.545 300 I HA 0.273 4.445 4.170 0.003 0.000 0.292 300 I C -0.746 175.441 176.117 0.117 0.000 1.040 300 I CA -1.052 60.328 61.300 0.135 0.000 1.068 300 I CB 1.456 39.510 38.000 0.088 0.000 1.251 300 I HN 0.220 nan 8.210 nan 0.000 0.424 301 L N 6.489 127.782 121.223 0.117 0.000 2.462 301 L HA 0.101 4.443 4.340 0.003 0.000 0.272 301 L C 1.603 178.473 176.870 0.000 0.000 1.166 301 L CA 0.520 55.364 54.840 0.007 0.000 0.880 301 L CB 0.936 43.028 42.059 0.054 0.000 1.142 301 L HN 0.811 nan 8.230 nan 0.000 0.473 302 T N -1.417 113.105 114.554 -0.053 0.000 3.043 302 T HA 0.045 4.397 4.350 0.003 0.000 0.263 302 T C 0.764 175.454 174.700 -0.018 0.000 1.094 302 T CA 0.515 62.597 62.100 -0.031 0.000 1.127 302 T CB 0.158 68.989 68.868 -0.062 0.000 0.905 302 T HN 0.639 nan 8.240 nan 0.000 0.490 303 S N -0.277 115.416 115.700 -0.012 0.000 2.611 303 S HA 0.443 4.915 4.470 0.003 0.000 0.268 303 S C -2.126 172.495 174.600 0.034 0.000 1.156 303 S CA -1.186 57.023 58.200 0.015 0.000 0.817 303 S CB 1.002 64.215 63.200 0.021 0.000 1.122 303 S HN 0.059 nan 8.310 nan 0.000 0.466 304 D N 1.220 121.643 120.400 0.039 0.000 2.455 304 D HA 0.444 5.086 4.640 0.003 0.000 0.241 304 D C -0.871 175.492 176.300 0.105 0.000 1.138 304 D CA 0.974 55.002 54.000 0.046 0.000 0.877 304 D CB 0.159 40.972 40.800 0.023 0.000 1.187 304 D HN 0.538 nan 8.370 nan 0.000 0.451 305 Y N 0.546 120.776 120.300 -0.117 0.000 2.436 305 Y HA 0.173 4.724 4.550 0.003 0.000 0.327 305 Y C -1.099 174.722 175.900 -0.131 0.000 1.138 305 Y CA -1.040 56.937 58.100 -0.206 0.000 1.042 305 Y CB 1.328 39.504 38.460 -0.475 0.000 1.302 305 Y HN 0.317 nan 8.280 nan 0.000 0.439 306 E N 5.981 125.875 120.200 -0.509 0.000 2.167 306 E HA 0.341 4.693 4.350 0.003 0.000 0.284 306 E C -1.923 174.220 176.600 -0.762 0.000 1.016 306 E CA -0.431 55.695 56.400 -0.457 0.000 0.817 306 E CB 0.575 30.123 29.700 -0.253 0.000 1.080 306 E HN 0.468 nan 8.360 nan 0.000 0.397 307 F N 5.314 124.873 119.950 -0.651 0.000 2.499 307 F HA 0.250 4.779 4.527 0.004 0.000 0.333 307 F C -0.352 175.358 175.800 -0.150 0.000 1.138 307 F CA -0.591 57.141 58.000 -0.447 0.000 0.945 307 F CB 0.614 39.493 39.000 -0.201 0.000 1.181 307 F HN 0.656 nan 8.300 nan 0.000 0.435 308 H N 4.181 122.914 119.070 -0.562 0.000 2.626 308 H HA -0.193 4.365 4.556 0.003 0.000 0.317 308 H C 1.420 176.600 175.328 -0.247 0.000 1.140 308 H CA 1.133 56.915 56.048 -0.443 0.000 1.134 308 H CB -1.013 28.404 29.762 -0.574 0.000 1.486 308 H HN 1.186 nan 8.280 nan 0.000 0.417 309 G N -1.088 107.616 108.800 -0.160 0.000 2.184 309 G HA2 -0.326 3.635 3.960 0.003 0.000 0.264 309 G HA3 -0.326 3.635 3.960 0.003 0.000 0.264 309 G C 0.298 175.160 174.900 -0.064 0.000 0.975 309 G CA 0.390 45.434 45.100 -0.093 0.000 0.642 309 G HN 0.485 nan 8.290 nan 0.000 0.536 310 V N 1.488 121.344 119.914 -0.097 0.000 2.459 310 V HA 0.473 4.595 4.120 0.003 0.000 0.295 310 V C 0.092 176.104 176.094 -0.138 0.000 1.029 310 V CA -1.028 61.205 62.300 -0.111 0.000 0.874 310 V CB 1.882 33.572 31.823 -0.223 0.000 0.985 310 V HN 0.269 nan 8.190 nan 0.000 0.438 311 Q N 4.851 124.625 119.800 -0.043 0.000 2.344 311 Q HA 0.416 4.758 4.340 0.003 0.000 0.253 311 Q C -0.688 175.361 176.000 0.081 0.000 1.050 311 Q CA 0.106 55.913 55.803 0.007 0.000 0.912 311 Q CB 1.086 29.871 28.738 0.078 0.000 1.258 311 Q HN 0.573 nan 8.270 nan 0.000 0.443 312 L N 1.871 123.086 121.223 -0.012 0.000 2.334 312 L HA 0.468 4.810 4.340 0.003 0.000 0.277 312 L C 0.420 177.369 176.870 0.132 0.000 1.075 312 L CA -0.540 54.350 54.840 0.083 0.000 0.804 312 L CB 1.003 43.022 42.059 -0.065 0.000 1.174 312 L HN 0.302 nan 8.230 nan 0.000 0.438 313 K N 2.561 123.076 120.400 0.191 0.000 2.207 313 K HA 0.263 4.585 4.320 0.003 0.000 0.255 313 K C -0.419 176.219 176.600 0.063 0.000 0.941 313 K CA -0.850 55.429 56.287 -0.013 0.000 0.825 313 K CB 1.596 33.841 32.500 -0.424 0.000 1.119 313 K HN 0.425 nan 8.250 nan 0.000 0.430 314 K N 1.980 122.394 120.400 0.022 0.000 2.504 314 K HA -0.079 4.243 4.320 0.003 0.000 0.278 314 K C 0.509 177.149 176.600 0.068 0.000 1.025 314 K CA 1.700 58.011 56.287 0.039 0.000 1.093 314 K CB -0.108 32.403 32.500 0.018 0.000 0.873 314 K HN 0.866 nan 8.250 nan 0.000 0.483 315 G N 3.176 112.032 108.800 0.095 0.000 2.234 315 G HA2 -0.212 3.750 3.960 0.003 0.000 0.235 315 G HA3 -0.212 3.750 3.960 0.003 0.000 0.235 315 G C -0.332 174.682 174.900 0.191 0.000 0.997 315 G CA 0.116 45.286 45.100 0.117 0.000 0.623 315 G HN 0.725 nan 8.290 nan 0.000 0.514 316 D N 1.499 122.063 120.400 0.273 0.000 2.443 316 D HA 0.413 5.055 4.640 0.003 0.000 0.239 316 D C 0.817 177.347 176.300 0.383 0.000 1.136 316 D CA 0.528 54.793 54.000 0.443 0.000 0.879 316 D CB 0.563 41.805 40.800 0.737 0.000 1.195 316 D HN 0.496 nan 8.370 nan 0.000 0.443 317 Q N 0.774 120.786 119.800 0.354 0.000 2.230 317 Q HA 0.605 4.947 4.340 0.003 0.000 0.253 317 Q C -0.424 175.776 176.000 0.334 0.000 0.919 317 Q CA -0.622 55.328 55.803 0.244 0.000 0.908 317 Q CB 2.452 31.256 28.738 0.109 0.000 1.245 317 Q HN 0.451 nan 8.270 nan 0.000 0.437 318 I N 2.929 123.650 120.570 0.252 0.000 2.468 318 I HA 0.243 4.415 4.170 0.003 0.000 0.285 318 I C -1.600 174.560 176.117 0.071 0.000 1.039 318 I CA -1.047 60.407 61.300 0.256 0.000 1.074 318 I CB 1.124 39.269 38.000 0.241 0.000 1.228 318 I HN 0.500 nan 8.210 nan 0.000 0.436 319 L N 8.414 129.688 121.223 0.085 0.000 2.319 319 L HA 0.405 4.747 4.340 0.003 0.000 0.280 319 L C -1.110 175.757 176.870 -0.006 0.000 1.099 319 L CA 0.306 55.151 54.840 0.008 0.000 0.828 319 L CB 0.746 42.834 42.059 0.048 0.000 1.150 319 L HN 0.559 nan 8.230 nan 0.000 0.442 320 L N 7.649 128.835 121.223 -0.061 0.000 2.502 320 L HA 0.385 4.727 4.340 0.003 0.000 0.247 320 L C -2.152 174.756 176.870 0.064 0.000 1.180 320 L CA -1.724 53.043 54.840 -0.121 0.000 0.956 320 L CB 0.783 42.505 42.059 -0.561 0.000 1.282 320 L HN 0.494 nan 8.230 nan 0.000 0.470 321 P HA -0.008 nan 4.420 nan 0.000 0.254 321 P C 0.322 177.591 177.300 -0.052 0.000 1.186 321 P CA 0.185 63.267 63.100 -0.029 0.000 0.868 321 P CB 0.645 32.352 31.700 0.011 0.000 0.856 322 Q N 2.552 122.320 119.800 -0.053 0.000 2.197 322 Q HA -0.205 4.137 4.340 0.003 0.000 0.207 322 Q C 1.898 177.806 176.000 -0.152 0.000 0.984 322 Q CA 1.616 57.374 55.803 -0.074 0.000 0.869 322 Q CB -0.527 28.134 28.738 -0.128 0.000 0.906 322 Q HN 0.519 nan 8.270 nan 0.000 0.426 323 M N -0.359 119.087 119.600 -0.257 0.000 2.149 323 M HA -0.192 4.290 4.480 0.003 0.000 0.261 323 M C 1.457 177.625 176.300 -0.220 0.000 1.064 323 M CA 1.510 56.623 55.300 -0.311 0.000 1.102 323 M CB -0.008 32.283 32.600 -0.515 0.000 1.369 323 M HN 0.294 nan 8.290 nan 0.000 0.408 324 L N -0.540 120.584 121.223 -0.165 0.000 2.217 324 L HA -0.150 4.192 4.340 0.003 0.000 0.211 324 L C 2.410 179.226 176.870 -0.091 0.000 1.107 324 L CA 0.731 55.508 54.840 -0.104 0.000 0.783 324 L CB -0.586 41.433 42.059 -0.067 0.000 0.919 324 L HN 0.326 nan 8.230 nan 0.000 0.442 325 S N 0.454 116.106 115.700 -0.081 0.000 2.359 325 S HA -0.189 4.283 4.470 0.003 0.000 0.223 325 S C 1.955 176.518 174.600 -0.061 0.000 1.039 325 S CA 1.597 59.755 58.200 -0.070 0.000 1.042 325 S CB -0.715 62.447 63.200 -0.064 0.000 0.915 325 S HN 0.609 nan 8.310 nan 0.000 0.439 326 G N 0.588 109.357 108.800 -0.051 0.000 2.598 326 G HA2 0.035 3.997 3.960 0.003 0.000 0.215 326 G HA3 0.035 3.997 3.960 0.003 0.000 0.215 326 G C 1.089 175.942 174.900 -0.077 0.000 1.131 326 G CA 0.199 45.276 45.100 -0.037 0.000 0.785 326 G HN 0.449 nan 8.290 nan 0.000 0.539 327 L N 0.115 121.279 121.223 -0.098 0.000 2.567 327 L HA 0.180 4.522 4.340 0.003 0.000 0.225 327 L C 0.507 177.331 176.870 -0.076 0.000 1.119 327 L CA -0.304 54.475 54.840 -0.102 0.000 0.871 327 L CB 0.115 42.106 42.059 -0.112 0.000 1.036 327 L HN 0.018 nan 8.230 nan 0.000 0.459 328 D N 1.682 122.040 120.400 -0.070 0.000 2.371 328 D HA -0.066 4.576 4.640 0.003 0.000 0.256 328 D C 1.306 177.574 176.300 -0.052 0.000 1.193 328 D CA 0.056 54.018 54.000 -0.063 0.000 0.881 328 D CB 1.123 41.883 40.800 -0.067 0.000 1.143 328 D HN 0.367 nan 8.370 nan 0.000 0.473 329 E N 3.483 123.655 120.200 -0.047 0.000 2.267 329 E HA -0.219 4.133 4.350 0.003 0.000 0.197 329 E C 1.065 177.644 176.600 -0.036 0.000 0.998 329 E CA 0.749 57.127 56.400 -0.038 0.000 0.830 329 E CB -0.055 29.625 29.700 -0.033 0.000 0.751 329 E HN 0.433 nan 8.360 nan 0.000 0.491 330 R N 0.372 120.848 120.500 -0.040 0.000 2.307 330 R HA 0.045 4.387 4.340 0.003 0.000 0.199 330 R C 1.488 177.767 176.300 -0.036 0.000 1.000 330 R CA 0.920 56.998 56.100 -0.037 0.000 1.023 330 R CB 0.096 30.370 30.300 -0.043 0.000 0.908 330 R HN 0.354 nan 8.270 nan 0.000 0.473 331 E N -0.556 119.621 120.200 -0.038 0.000 2.391 331 E HA 0.137 4.489 4.350 0.003 0.000 0.206 331 E C -0.254 176.331 176.600 -0.025 0.000 0.851 331 E CA 0.119 56.498 56.400 -0.034 0.000 1.059 331 E CB 0.709 30.384 29.700 -0.041 0.000 1.065 331 E HN 0.150 nan 8.360 nan 0.000 0.512 332 N N 0.601 119.284 118.700 -0.027 0.000 2.454 332 N HA 0.285 5.027 4.740 0.003 0.000 0.291 332 N C -1.133 174.362 175.510 -0.025 0.000 1.079 332 N CA -0.174 52.864 53.050 -0.021 0.000 0.893 332 N CB 2.051 40.525 38.487 -0.021 0.000 1.512 332 N HN -0.013 nan 8.380 nan 0.000 0.497 333 A N 0.561 123.368 122.820 -0.022 0.000 2.483 333 A HA 0.224 4.546 4.320 0.003 0.000 0.238 333 A C 0.769 178.335 177.584 -0.029 0.000 1.070 333 A CA 0.035 52.055 52.037 -0.027 0.000 0.770 333 A CB -0.193 18.789 19.000 -0.030 0.000 1.008 333 A HN 0.963 nan 8.150 nan 0.000 0.497 334 C N 2.220 121.502 119.300 -0.030 0.000 3.727 334 C HA -0.103 4.359 4.460 0.003 0.000 0.293 334 C C -0.237 174.752 174.990 -0.001 0.000 1.339 334 C CA -0.005 59.001 59.018 -0.020 0.000 2.150 334 C CB -2.325 25.382 27.740 -0.056 0.000 1.383 334 C HN 0.879 nan 8.230 nan 0.000 0.614 335 P HA -0.195 nan 4.420 nan 0.000 0.216 335 P C 1.391 178.642 177.300 -0.081 0.000 1.150 335 P CA 1.699 64.769 63.100 -0.051 0.000 0.843 335 P CB -0.013 31.651 31.700 -0.060 0.000 0.787 336 M N -1.875 117.691 119.600 -0.055 0.000 2.619 336 M HA 0.014 4.496 4.480 0.003 0.000 0.251 336 M C 1.256 177.506 176.300 -0.083 0.000 1.106 336 M CA 0.399 55.645 55.300 -0.091 0.000 1.086 336 M CB -1.834 30.742 32.600 -0.041 0.000 1.465 336 M HN 0.072 nan 8.290 nan 0.000 0.506 337 H N 0.993 119.996 119.070 -0.112 0.000 2.580 337 H HA 0.326 4.884 4.556 0.003 0.000 0.322 337 H C -1.138 174.105 175.328 -0.142 0.000 1.082 337 H CA -0.265 55.732 56.048 -0.085 0.000 1.383 337 H CB 1.377 31.118 29.762 -0.036 0.000 1.450 337 H HN -0.168 nan 8.280 nan 0.000 0.505 338 V N 6.012 125.579 119.914 -0.578 0.000 2.385 338 V HA 0.041 4.163 4.120 0.003 0.000 0.269 338 V C 0.077 176.017 176.094 -0.256 0.000 1.043 338 V CA -0.345 61.676 62.300 -0.466 0.000 0.906 338 V CB 0.969 32.297 31.823 -0.825 0.000 0.995 338 V HN 0.713 nan 8.190 nan 0.000 0.467 339 D N 4.110 124.504 120.400 -0.009 0.000 2.420 339 D HA 0.361 5.003 4.640 0.003 0.000 0.255 339 D C 0.501 176.887 176.300 0.144 0.000 1.185 339 D CA -0.543 53.521 54.000 0.108 0.000 0.904 339 D CB 0.849 41.786 40.800 0.228 0.000 1.102 339 D HN 0.225 nan 8.370 nan 0.000 0.534 340 F N 1.307 121.360 119.950 0.171 0.000 2.373 340 F HA -0.042 4.487 4.527 0.003 0.000 0.300 340 F C 2.162 178.020 175.800 0.097 0.000 1.080 340 F CA 0.531 58.610 58.000 0.132 0.000 1.417 340 F CB -0.472 38.617 39.000 0.148 0.000 1.070 340 F HN 0.297 nan 8.300 nan 0.000 0.546 341 S N -1.067 114.781 115.700 0.247 0.000 2.577 341 S HA 0.071 4.543 4.470 0.003 0.000 0.219 341 S C 0.859 175.530 174.600 0.118 0.000 0.962 341 S CA -0.527 57.768 58.200 0.158 0.000 0.921 341 S CB -0.229 63.041 63.200 0.117 0.000 0.789 341 S HN 0.172 nan 8.310 nan 0.000 0.497 342 R N 1.884 122.461 120.500 0.128 0.000 2.485 342 R HA -0.058 4.284 4.340 0.003 0.000 0.304 342 R C 1.422 177.769 176.300 0.078 0.000 0.934 342 R CA 0.220 56.375 56.100 0.092 0.000 1.102 342 R CB 0.244 30.601 30.300 0.095 0.000 0.906 342 R HN 0.125 nan 8.270 nan 0.000 0.407 343 Q N 2.789 122.622 119.800 0.055 0.000 2.050 343 Q HA -0.085 4.257 4.340 0.003 0.000 0.202 343 Q C -0.281 175.745 176.000 0.044 0.000 0.980 343 Q CA 1.809 57.640 55.803 0.046 0.000 0.840 343 Q CB 0.415 29.172 28.738 0.031 0.000 0.898 343 Q HN 0.298 nan 8.270 nan 0.000 0.424 344 K N 0.341 120.764 120.400 0.038 0.000 2.579 344 K HA 0.290 4.612 4.320 0.003 0.000 0.225 344 K C -1.476 175.147 176.600 0.038 0.000 0.992 344 K CA -0.451 55.856 56.287 0.032 0.000 1.018 344 K CB 1.515 34.025 32.500 0.018 0.000 1.249 344 K HN -0.120 nan 8.250 nan 0.000 0.489 345 V N 1.912 121.861 119.914 0.060 0.000 2.364 345 V HA 0.046 4.168 4.120 0.003 0.000 0.252 345 V C 0.790 176.927 176.094 0.071 0.000 1.075 345 V CA -0.125 62.227 62.300 0.087 0.000 1.033 345 V CB 0.426 32.332 31.823 0.138 0.000 1.116 345 V HN 0.542 nan 8.190 nan 0.000 0.488 346 S N 5.150 120.872 115.700 0.037 0.000 2.499 346 S HA 0.670 5.142 4.470 0.003 0.000 0.279 346 S C -0.492 174.128 174.600 0.032 0.000 1.219 346 S CA -0.403 57.785 58.200 -0.019 0.000 1.062 346 S CB 0.220 63.406 63.200 -0.024 0.000 0.978 346 S HN 1.113 nan 8.310 nan 0.000 0.489 347 H N -0.010 119.037 119.070 -0.039 0.000 2.950 347 H HA 0.478 5.036 4.556 0.003 0.000 0.307 347 H C -0.584 174.710 175.328 -0.057 0.000 1.403 347 H CA -0.360 55.646 56.048 -0.071 0.000 1.145 347 H CB 0.638 30.342 29.762 -0.097 0.000 1.844 347 H HN 0.329 nan 8.280 nan 0.000 0.515 348 T N -2.302 112.333 114.554 0.134 0.000 3.487 348 T HA 0.182 4.534 4.350 0.003 0.000 0.287 348 T C 0.431 175.175 174.700 0.073 0.000 1.004 348 T CA 0.123 62.273 62.100 0.082 0.000 0.977 348 T CB -0.390 68.470 68.868 -0.012 0.000 1.180 348 T HN 0.618 nan 8.240 nan 0.000 0.490 349 T N 1.341 115.989 114.554 0.157 0.000 2.759 349 T HA 0.018 4.370 4.350 0.003 0.000 0.269 349 T C 0.457 174.936 174.700 -0.368 0.000 1.042 349 T CA 1.314 63.236 62.100 -0.298 0.000 1.140 349 T CB -0.386 68.034 68.868 -0.748 0.000 0.864 349 T HN 0.502 nan 8.240 nan 0.000 0.455 350 F N 1.170 121.117 119.950 -0.005 0.000 2.660 350 F HA 0.474 5.003 4.527 0.003 0.000 0.297 350 F C 1.559 177.315 175.800 -0.073 0.000 1.132 350 F CA -0.230 57.735 58.000 -0.059 0.000 1.372 350 F CB -0.419 38.549 39.000 -0.053 0.000 1.003 350 F HN 0.295 nan 8.300 nan 0.000 0.524 351 G N 0.030 108.844 108.800 0.024 0.000 2.660 351 G HA2 -0.075 3.887 3.960 0.003 0.000 0.247 351 G HA3 -0.075 3.887 3.960 0.003 0.000 0.247 351 G C -1.518 173.372 174.900 -0.016 0.000 1.328 351 G CA -0.755 44.278 45.100 -0.112 0.000 0.884 351 G HN 0.499 nan 8.290 nan 0.000 0.531 352 H N -0.964 117.952 119.070 -0.257 0.000 3.079 352 H HA 0.688 5.246 4.556 0.003 0.000 0.356 352 H C 0.532 175.856 175.328 -0.007 0.000 1.221 352 H CA 1.841 57.837 56.048 -0.087 0.000 1.185 352 H CB 1.365 31.121 29.762 -0.009 0.000 1.882 352 H HN 2.648 nan 8.280 nan 0.000 0.543 353 G N 1.074 109.662 108.800 -0.354 0.000 2.545 353 G HA2 -0.236 3.725 3.960 0.003 0.000 0.216 353 G HA3 -0.236 3.725 3.960 0.003 0.000 0.216 353 G C 1.091 175.970 174.900 -0.036 0.000 1.314 353 G CA 0.477 45.515 45.100 -0.103 0.000 0.906 353 G HN 1.367 nan 8.290 nan 0.000 0.563 354 S N -1.012 114.703 115.700 0.026 0.000 2.474 354 S HA -0.060 4.412 4.470 0.003 0.000 0.235 354 S C 1.334 175.818 174.600 -0.193 0.000 0.997 354 S CA 1.883 60.023 58.200 -0.100 0.000 0.949 354 S CB -0.273 62.809 63.200 -0.195 0.000 0.766 354 S HN 0.741 nan 8.310 nan 0.000 0.517 355 H N 0.671 119.735 119.070 -0.011 0.000 2.519 355 H HA 0.382 4.940 4.556 0.003 0.000 0.289 355 H C 0.150 175.458 175.328 -0.033 0.000 1.040 355 H CA -0.377 55.665 56.048 -0.010 0.000 1.165 355 H CB -0.083 29.685 29.762 0.009 0.000 1.462 355 H HN 0.371 nan 8.280 nan 0.000 0.555 356 L N 1.364 122.601 121.223 0.024 0.000 2.628 356 L HA -0.144 4.198 4.340 0.003 0.000 0.292 356 L C 0.964 177.834 176.870 0.000 0.000 1.250 356 L CA 0.082 54.922 54.840 0.000 0.000 0.892 356 L CB 0.273 42.313 42.059 -0.031 0.000 1.138 356 L HN 0.359 nan 8.230 nan 0.000 0.502 357 C N 5.146 124.454 119.300 0.013 0.000 2.437 357 C HA -0.040 4.422 4.460 0.003 0.000 0.399 357 C C 1.762 176.677 174.990 -0.125 0.000 1.478 357 C CA -0.251 58.757 59.018 -0.018 0.000 1.538 357 C CB -0.854 26.915 27.740 0.049 0.000 2.506 357 C HN 0.770 nan 8.230 nan 0.000 0.603 358 L N 4.950 126.131 121.223 -0.069 0.000 2.446 358 L HA 0.191 4.533 4.340 0.003 0.000 0.219 358 L C 2.321 179.129 176.870 -0.103 0.000 1.116 358 L CA 1.147 55.947 54.840 -0.067 0.000 0.844 358 L CB -0.358 41.703 42.059 0.003 0.000 0.970 358 L HN 0.954 nan 8.230 nan 0.000 0.457 359 G N -0.558 108.169 108.800 -0.121 0.000 3.337 359 G HA2 -0.012 3.949 3.960 0.003 0.000 0.246 359 G HA3 -0.012 3.949 3.960 0.003 0.000 0.246 359 G C 1.305 176.055 174.900 -0.251 0.000 1.131 359 G CA -0.133 44.901 45.100 -0.110 0.000 0.773 359 G HN 0.470 nan 8.290 nan 0.000 0.544 360 Q N -0.176 119.277 119.800 -0.578 0.000 2.170 360 Q HA -0.184 4.158 4.340 0.003 0.000 0.203 360 Q C 1.711 177.309 176.000 -0.670 0.000 0.976 360 Q CA 1.228 56.387 55.803 -1.073 0.000 0.858 360 Q CB -0.500 27.118 28.738 -1.868 0.000 0.907 360 Q HN 0.452 nan 8.270 nan 0.000 0.433 361 H N 0.562 119.476 119.070 -0.259 0.000 2.357 361 H HA -0.059 4.499 4.556 0.003 0.000 0.301 361 H C 2.163 177.452 175.328 -0.065 0.000 1.082 361 H CA 1.391 57.358 56.048 -0.135 0.000 1.342 361 H CB -0.196 29.509 29.762 -0.095 0.000 1.389 361 H HN 0.275 nan 8.280 nan 0.000 0.511 362 L N 1.155 122.401 121.223 0.038 0.000 2.093 362 L HA 0.009 4.351 4.340 0.003 0.000 0.208 362 L C 2.490 179.389 176.870 0.048 0.000 1.085 362 L CA 1.689 56.555 54.840 0.044 0.000 0.755 362 L CB -0.837 41.245 42.059 0.037 0.000 0.904 362 L HN 0.159 nan 8.230 nan 0.000 0.435 363 A N -0.267 122.567 122.820 0.023 0.000 1.877 363 A HA -0.203 4.119 4.320 0.003 0.000 0.216 363 A C 2.436 180.106 177.584 0.144 0.000 1.186 363 A CA 1.728 53.825 52.037 0.100 0.000 0.620 363 A CB -0.563 18.533 19.000 0.161 0.000 0.822 363 A HN 0.487 nan 8.150 nan 0.000 0.443 364 R N -1.246 119.312 120.500 0.098 0.000 2.096 364 R HA -0.135 4.206 4.340 0.003 0.000 0.235 364 R C 2.436 178.825 176.300 0.150 0.000 1.127 364 R CA 1.551 57.731 56.100 0.134 0.000 0.968 364 R CB -0.248 30.109 30.300 0.095 0.000 0.861 364 R HN 0.441 nan 8.270 nan 0.000 0.440 365 R N 1.564 122.144 120.500 0.133 0.000 2.075 365 R HA -0.103 4.239 4.340 0.003 0.000 0.232 365 R C 1.693 178.123 176.300 0.218 0.000 1.126 365 R CA 1.685 57.874 56.100 0.147 0.000 0.963 365 R CB -0.174 30.196 30.300 0.116 0.000 0.858 365 R HN 0.270 nan 8.270 nan 0.000 0.435 366 E N -0.276 120.069 120.200 0.242 0.000 2.110 366 E HA -0.163 4.189 4.350 0.003 0.000 0.193 366 E C 1.992 178.886 176.600 0.491 0.000 0.988 366 E CA 1.510 58.163 56.400 0.422 0.000 0.804 366 E CB -0.151 29.704 29.700 0.259 0.000 0.745 366 E HN 0.385 nan 8.360 nan 0.000 0.458 367 I N 0.863 121.645 120.570 0.354 0.000 2.193 367 I HA -0.242 3.930 4.170 0.003 0.000 0.240 367 I C 2.394 178.653 176.117 0.237 0.000 1.084 367 I CA 0.970 62.470 61.300 0.333 0.000 1.365 367 I CB -0.193 38.022 38.000 0.357 0.000 1.064 367 I HN 0.067 nan 8.210 nan 0.000 0.410 368 I N 0.151 120.839 120.570 0.197 0.000 2.179 368 I HA -0.263 3.909 4.170 0.003 0.000 0.242 368 I C 2.557 178.752 176.117 0.129 0.000 1.088 368 I CA 1.234 62.616 61.300 0.137 0.000 1.357 368 I CB -0.352 37.718 38.000 0.116 0.000 1.051 368 I HN 0.033 nan 8.210 nan 0.000 0.409 369 V N 0.539 120.555 119.914 0.169 0.000 2.343 369 V HA -0.290 3.832 4.120 0.003 0.000 0.247 369 V C 2.501 178.656 176.094 0.101 0.000 1.051 369 V CA 2.457 64.849 62.300 0.154 0.000 1.036 369 V CB -0.866 31.101 31.823 0.240 0.000 0.654 369 V HN 0.483 nan 8.190 nan 0.000 0.451 370 T N 0.364 114.984 114.554 0.111 0.000 2.708 370 T HA -0.135 4.217 4.350 0.003 0.000 0.266 370 T C 1.883 176.597 174.700 0.023 0.000 1.037 370 T CA 1.585 63.698 62.100 0.021 0.000 1.146 370 T CB -0.293 68.633 68.868 0.097 0.000 0.865 370 T HN 0.296 nan 8.240 nan 0.000 0.435 371 L N 0.466 121.717 121.223 0.047 0.000 2.012 371 L HA -0.151 4.191 4.340 0.003 0.000 0.210 371 L C 2.666 179.571 176.870 0.058 0.000 1.073 371 L CA 1.542 56.402 54.840 0.035 0.000 0.748 371 L CB -0.497 41.580 42.059 0.030 0.000 0.891 371 L HN 0.261 nan 8.230 nan 0.000 0.431 372 K N -0.298 120.135 120.400 0.054 0.000 1.985 372 K HA -0.154 4.168 4.320 0.003 0.000 0.210 372 K C 2.036 178.660 176.600 0.040 0.000 1.047 372 K CA 1.207 57.522 56.287 0.046 0.000 0.932 372 K CB -0.188 32.340 32.500 0.045 0.000 0.716 372 K HN 0.177 nan 8.250 nan 0.000 0.439 373 E N 0.193 120.413 120.200 0.035 0.000 2.204 373 E HA -0.191 4.161 4.350 0.003 0.000 0.195 373 E C 1.635 178.218 176.600 -0.028 0.000 0.990 373 E CA 0.744 57.145 56.400 0.002 0.000 0.821 373 E CB -0.148 29.553 29.700 0.002 0.000 0.750 373 E HN 0.493 nan 8.360 nan 0.000 0.477 374 W N 1.069 122.251 121.300 -0.197 0.000 2.443 374 W HA 0.003 4.665 4.660 0.003 0.000 0.296 374 W C 1.716 178.102 176.519 -0.221 0.000 1.202 374 W CA 0.623 57.794 57.345 -0.291 0.000 1.312 374 W CB -0.251 28.960 29.460 -0.416 0.000 1.120 374 W HN 0.008 nan 8.180 nan 0.000 0.536 375 L N 0.244 121.581 121.223 0.189 0.000 2.201 375 L HA -0.166 4.176 4.340 0.003 0.000 0.212 375 L C 2.547 179.437 176.870 0.032 0.000 1.105 375 L CA 1.660 56.594 54.840 0.158 0.000 0.775 375 L CB -1.134 41.014 42.059 0.148 0.000 0.913 375 L HN -0.094 nan 8.230 nan 0.000 0.440 376 T N -0.718 113.829 114.554 -0.012 0.000 3.023 376 T HA -0.058 4.294 4.350 0.003 0.000 0.266 376 T C 1.984 176.632 174.700 -0.088 0.000 1.093 376 T CA 1.096 63.175 62.100 -0.035 0.000 1.129 376 T CB 0.148 69.001 68.868 -0.025 0.000 0.899 376 T HN 0.302 nan 8.240 nan 0.000 0.491 377 R N -0.337 120.058 120.500 -0.175 0.000 2.142 377 R HA 0.399 4.741 4.340 0.003 0.000 0.204 377 R C 0.573 176.671 176.300 -0.337 0.000 1.059 377 R CA 0.496 56.448 56.100 -0.248 0.000 1.055 377 R CB 0.522 30.632 30.300 -0.318 0.000 0.976 377 R HN 0.324 nan 8.270 nan 0.000 0.483 378 I N 3.144 123.408 120.570 -0.510 0.000 2.859 378 I HA 0.179 4.351 4.170 0.003 0.000 0.296 378 I C -1.846 174.199 176.117 -0.119 0.000 1.300 378 I CA -1.590 59.367 61.300 -0.572 0.000 1.020 378 I CB 1.651 38.839 38.000 -1.355 0.000 1.823 378 I HN -0.065 nan 8.210 nan 0.000 0.599 379 P HA -0.135 nan 4.420 nan 0.000 0.218 379 P C 0.228 177.639 177.300 0.185 0.000 1.149 379 P CA 1.331 64.511 63.100 0.133 0.000 0.817 379 P CB 0.275 32.006 31.700 0.051 0.000 0.785 380 D N -0.509 119.989 120.400 0.163 0.000 2.408 380 D HA 0.463 5.105 4.640 0.003 0.000 0.243 380 D C -0.835 175.638 176.300 0.288 0.000 1.075 380 D CA -0.754 53.312 54.000 0.110 0.000 0.832 380 D CB 0.682 41.521 40.800 0.065 0.000 1.162 380 D HN -0.069 nan 8.370 nan 0.000 0.515 381 F N 0.898 120.911 119.950 0.105 0.000 2.741 381 F HA 0.786 5.315 4.527 0.004 0.000 0.313 381 F C -1.065 174.808 175.800 0.121 0.000 1.153 381 F CA -1.048 57.076 58.000 0.206 0.000 0.931 381 F CB 0.866 40.012 39.000 0.245 0.000 1.335 381 F HN 0.229 nan 8.300 nan 0.000 0.460 382 S N 0.594 116.462 115.700 0.279 0.000 2.656 382 S HA 0.717 5.189 4.470 0.003 0.000 0.273 382 S C -1.448 173.253 174.600 0.168 0.000 1.168 382 S CA -1.056 57.201 58.200 0.094 0.000 0.817 382 S CB 1.484 64.700 63.200 0.026 0.000 1.146 382 S HN 0.739 nan 8.310 nan 0.000 0.475 383 I N 1.851 122.466 120.570 0.076 0.000 2.588 383 I HA 0.357 4.529 4.170 0.003 0.000 0.283 383 I C 1.252 177.410 176.117 0.069 0.000 1.119 383 I CA -0.241 61.103 61.300 0.073 0.000 1.419 383 I CB 0.260 38.276 38.000 0.027 0.000 1.394 383 I HN 0.994 nan 8.210 nan 0.000 0.562 384 A N 8.650 131.513 122.820 0.072 0.000 2.567 384 A HA 0.236 4.558 4.320 0.003 0.000 0.240 384 A C -2.058 175.544 177.584 0.029 0.000 1.053 384 A CA -0.690 51.376 52.037 0.048 0.000 0.755 384 A CB -0.981 18.044 19.000 0.042 0.000 0.978 384 A HN 0.527 nan 8.150 nan 0.000 0.507 385 P HA 0.143 nan 4.420 nan 0.000 0.261 385 P C 1.208 178.514 177.300 0.010 0.000 1.173 385 P CA 2.013 65.120 63.100 0.012 0.000 0.760 385 P CB 0.410 32.114 31.700 0.007 0.000 0.783 386 G N 2.255 111.060 108.800 0.008 0.000 2.284 386 G HA2 -0.295 3.667 3.960 0.003 0.000 0.261 386 G HA3 -0.295 3.667 3.960 0.003 0.000 0.261 386 G C 0.528 175.433 174.900 0.008 0.000 0.997 386 G CA 0.099 45.203 45.100 0.007 0.000 0.621 386 G HN 0.885 nan 8.290 nan 0.000 0.534 387 A N 0.476 123.304 122.820 0.013 0.000 2.546 387 A HA 0.492 4.814 4.320 0.003 0.000 0.243 387 A C 0.613 178.203 177.584 0.009 0.000 1.063 387 A CA 0.713 52.759 52.037 0.015 0.000 0.757 387 A CB 0.208 19.222 19.000 0.024 0.000 0.991 387 A HN 0.412 nan 8.150 nan 0.000 0.503 388 Q N 2.826 122.631 119.800 0.008 0.000 2.509 388 Q HA 0.245 4.587 4.340 0.003 0.000 0.236 388 Q C -0.426 175.573 176.000 -0.002 0.000 1.073 388 Q CA -0.495 55.307 55.803 -0.000 0.000 0.867 388 Q CB 0.883 29.621 28.738 0.001 0.000 1.181 388 Q HN 0.633 nan 8.270 nan 0.000 0.526 389 I N 2.375 122.939 120.570 -0.009 0.000 2.668 389 I HA -0.051 4.121 4.170 0.003 0.000 0.285 389 I C 0.557 176.648 176.117 -0.043 0.000 1.168 389 I CA 0.551 61.847 61.300 -0.007 0.000 1.424 389 I CB -0.133 37.867 38.000 0.001 0.000 1.377 389 I HN 0.381 nan 8.210 nan 0.000 0.560 390 Q N 5.721 125.531 119.800 0.016 0.000 2.333 390 Q HA 0.444 4.786 4.340 0.003 0.000 0.267 390 Q C -0.791 175.316 176.000 0.178 0.000 1.012 390 Q CA -0.513 55.311 55.803 0.035 0.000 0.824 390 Q CB 2.285 31.053 28.738 0.050 0.000 1.290 390 Q HN 0.578 nan 8.270 nan 0.000 0.449 391 H N 0.764 119.895 119.070 0.102 0.000 2.559 391 H HA 0.513 5.071 4.556 0.003 0.000 0.343 391 H C -0.595 174.817 175.328 0.140 0.000 1.209 391 H CA -1.115 55.021 56.048 0.146 0.000 1.287 391 H CB 1.477 31.401 29.762 0.271 0.000 1.650 391 H HN 0.430 nan 8.280 nan 0.000 0.567 392 K N 0.467 121.037 120.400 0.284 0.000 2.468 392 K HA 0.501 4.823 4.320 0.003 0.000 0.252 392 K C -1.140 175.609 176.600 0.247 0.000 0.932 392 K CA -0.875 55.540 56.287 0.214 0.000 0.794 392 K CB 2.560 35.149 32.500 0.148 0.000 1.241 392 K HN 0.331 nan 8.250 nan 0.000 0.428 393 S N 0.883 116.733 115.700 0.251 0.000 2.593 393 S HA 0.905 5.377 4.470 0.003 0.000 0.297 393 S C -0.260 174.490 174.600 0.251 0.000 1.112 393 S CA 0.260 58.640 58.200 0.300 0.000 1.043 393 S CB 1.363 64.791 63.200 0.379 0.000 1.054 393 S HN 0.975 nan 8.310 nan 0.000 0.516 394 G N 2.225 111.140 108.800 0.193 0.000 2.392 394 G HA2 0.196 4.158 3.960 0.003 0.000 0.260 394 G HA3 0.196 4.158 3.960 0.003 0.000 0.260 394 G C 0.196 175.060 174.900 -0.060 0.000 1.226 394 G CA -0.324 44.809 45.100 0.055 0.000 0.913 394 G HN 0.545 nan 8.290 nan 0.000 0.483 395 I N 0.062 120.580 120.570 -0.087 0.000 2.286 395 I HA 0.028 4.200 4.170 0.003 0.000 0.248 395 I C 0.827 176.855 176.117 -0.148 0.000 1.115 395 I CA 1.517 62.675 61.300 -0.238 0.000 1.392 395 I CB -0.673 37.066 38.000 -0.436 0.000 1.065 395 I HN 0.038 nan 8.210 nan 0.000 0.418 396 V N 0.599 120.488 119.914 -0.042 0.000 2.531 396 V HA 0.290 4.412 4.120 0.003 0.000 0.301 396 V C 0.082 176.205 176.094 0.047 0.000 1.034 396 V CA -0.584 61.706 62.300 -0.016 0.000 0.865 396 V CB 1.921 33.760 31.823 0.028 0.000 0.995 396 V HN 0.077 nan 8.190 nan 0.000 0.424 397 S N 2.309 118.043 115.700 0.056 0.000 2.632 397 S HA 0.871 5.343 4.470 0.003 0.000 0.271 397 S C 0.417 175.193 174.600 0.292 0.000 1.260 397 S CA 0.085 58.389 58.200 0.174 0.000 1.010 397 S CB 1.719 65.001 63.200 0.137 0.000 0.965 397 S HN 1.149 nan 8.310 nan 0.000 0.534 398 G N -0.279 108.656 108.800 0.225 0.000 2.721 398 G HA2 0.585 4.547 3.960 0.003 0.000 0.296 398 G HA3 0.585 4.547 3.960 0.003 0.000 0.296 398 G C -1.802 172.920 174.900 -0.296 0.000 1.383 398 G CA -0.508 44.543 45.100 -0.082 0.000 0.788 398 G HN 0.612 nan 8.290 nan 0.000 0.500 399 V N 0.876 120.523 119.914 -0.445 0.000 2.384 399 V HA 0.258 4.380 4.120 0.003 0.000 0.287 399 V C 0.981 177.031 176.094 -0.074 0.000 1.020 399 V CA -0.371 61.771 62.300 -0.264 0.000 0.850 399 V CB 1.266 32.846 31.823 -0.405 0.000 0.987 399 V HN 0.886 nan 8.190 nan 0.000 0.436 400 Q N 3.065 122.879 119.800 0.024 0.000 2.084 400 Q HA 0.125 4.467 4.340 0.003 0.000 0.202 400 Q C 0.669 176.685 176.000 0.027 0.000 0.978 400 Q CA 1.542 57.364 55.803 0.033 0.000 0.844 400 Q CB 0.245 29.017 28.738 0.056 0.000 0.898 400 Q HN 0.894 nan 8.270 nan 0.000 0.426 401 A N 0.133 122.973 122.820 0.033 0.000 2.594 401 A HA 0.541 4.863 4.320 0.003 0.000 0.296 401 A C -1.965 175.649 177.584 0.051 0.000 1.061 401 A CA -0.644 51.418 52.037 0.042 0.000 0.689 401 A CB 1.483 20.509 19.000 0.044 0.000 1.280 401 A HN 0.091 nan 8.150 nan 0.000 0.406 402 L N 3.218 124.488 121.223 0.079 0.000 2.481 402 L HA 0.504 4.846 4.340 0.003 0.000 0.255 402 L C -2.640 174.306 176.870 0.128 0.000 1.192 402 L CA -1.458 53.434 54.840 0.088 0.000 0.924 402 L CB 1.786 43.897 42.059 0.085 0.000 1.179 402 L HN 0.462 nan 8.230 nan 0.000 0.491 403 P HA 0.262 nan 4.420 nan 0.000 0.282 403 P C -0.986 176.399 177.300 0.143 0.000 1.274 403 P CA -0.047 63.122 63.100 0.116 0.000 0.770 403 P CB 1.208 32.952 31.700 0.074 0.000 0.867 404 L N 3.813 125.167 121.223 0.218 0.000 2.333 404 L HA 0.721 5.063 4.340 0.003 0.000 0.269 404 L C 0.434 177.477 176.870 0.289 0.000 1.010 404 L CA -1.237 53.794 54.840 0.318 0.000 0.818 404 L CB 2.226 44.564 42.059 0.466 0.000 1.306 404 L HN 0.225 nan 8.230 nan 0.000 0.430 405 V N -1.112 119.002 119.914 0.333 0.000 3.007 405 V HA 0.825 4.947 4.120 0.003 0.000 0.311 405 V C -1.737 174.595 176.094 0.396 0.000 1.120 405 V CA -0.574 61.805 62.300 0.131 0.000 0.980 405 V CB 1.801 33.644 31.823 0.033 0.000 1.033 405 V HN 0.973 nan 8.190 nan 0.000 0.429 406 W N 0.946 122.314 121.300 0.113 0.000 3.298 406 W HA 0.668 5.329 4.660 0.003 0.000 0.302 406 W C -1.714 174.840 176.519 0.058 0.000 1.255 406 W CA -0.661 56.750 57.345 0.109 0.000 1.196 406 W CB 0.883 30.440 29.460 0.162 0.000 1.364 406 W HN 0.733 nan 8.180 nan 0.000 0.566 407 D N 2.887 123.446 120.400 0.265 0.000 2.316 407 D HA 0.260 4.902 4.640 0.003 0.000 0.245 407 D C -1.447 174.997 176.300 0.240 0.000 1.171 407 D CA -1.999 52.087 54.000 0.143 0.000 0.856 407 D CB 1.963 42.826 40.800 0.105 0.000 1.090 407 D HN 0.101 nan 8.370 nan 0.000 0.476 408 P HA -0.134 nan 4.420 nan 0.000 0.218 408 P C 0.921 178.298 177.300 0.127 0.000 1.146 408 P CA 1.205 64.420 63.100 0.192 0.000 0.813 408 P CB 0.222 31.974 31.700 0.086 0.000 0.778 409 A N -0.548 122.326 122.820 0.090 0.000 2.070 409 A HA -0.152 4.170 4.320 0.003 0.000 0.220 409 A C 2.020 179.640 177.584 0.062 0.000 1.159 409 A CA 2.102 54.175 52.037 0.060 0.000 0.656 409 A CB -1.704 17.322 19.000 0.044 0.000 0.800 409 A HN 0.353 nan 8.150 nan 0.000 0.453 410 T N -2.373 112.235 114.554 0.090 0.000 3.107 410 T HA 0.174 4.526 4.350 0.003 0.000 0.249 410 T C 0.822 175.549 174.700 0.046 0.000 1.096 410 T CA 0.681 62.824 62.100 0.071 0.000 1.012 410 T CB -0.862 68.062 68.868 0.093 0.000 0.977 410 T HN 0.531 nan 8.240 nan 0.000 0.527 411 T N -0.603 113.977 114.554 0.044 0.000 2.884 411 T HA 0.715 5.066 4.350 0.003 0.000 0.277 411 T C -0.715 173.969 174.700 -0.027 0.000 0.976 411 T CA -0.841 61.246 62.100 -0.021 0.000 0.956 411 T CB 1.780 70.632 68.868 -0.027 0.000 1.113 411 T HN 0.233 nan 8.240 nan 0.000 0.554 412 K N -0.584 119.780 120.400 -0.061 0.000 2.542 412 K HA 0.655 4.977 4.320 0.003 0.000 0.259 412 K C -1.400 175.163 176.600 -0.062 0.000 0.932 412 K CA -0.446 55.813 56.287 -0.046 0.000 0.820 412 K CB 1.894 34.371 32.500 -0.039 0.000 1.345 412 K HN 0.998 nan 8.250 nan 0.000 0.432 413 A N 3.310 126.105 122.820 -0.041 0.000 2.276 413 A HA 0.661 4.983 4.320 0.003 0.000 0.300 413 A C -0.652 176.910 177.584 -0.036 0.000 1.235 413 A CA -0.420 51.592 52.037 -0.042 0.000 0.867 413 A CB 0.403 19.388 19.000 -0.025 0.000 1.137 413 A HN 0.426 nan 8.150 nan 0.000 0.527 414 V N 0.000 119.889 119.914 -0.042 0.000 2.409 414 V HA 0.000 4.122 4.120 0.003 0.000 0.244 414 V CA 0.000 62.282 62.300 -0.029 0.000 1.235 414 V CB 0.000 31.802 31.823 -0.034 0.000 1.184 414 V HN 0.000 nan 8.190 nan 0.000 0.556