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 2h7r_1_A 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 RMCGALLVGG LDTVVNFLSF DATA SEQUENCE SMEFLAKSPE HRQELIERPE RIPAACEELL RRFSLVADGR ILTSDYEFHG DATA SEQUENCE VQLKKGDQIL LPQMLSGLDE RENAAPMHVD 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 0.000 175.502 175.510 -0.014 0.000 1.280 10 N CA 0.000 53.041 53.050 -0.014 0.000 0.885 10 N CB 0.000 38.484 38.487 -0.006 0.000 1.341 11 L N 1.676 122.893 121.223 -0.010 0.000 2.334 11 L HA 0.794 5.134 4.340 0.001 0.000 0.276 11 L C 0.574 177.455 176.870 0.019 0.000 1.014 11 L CA -0.670 54.168 54.840 -0.004 0.000 0.815 11 L CB 1.469 43.523 42.059 -0.009 0.000 1.268 11 L HN 0.658 nan 8.230 nan 0.000 0.428 12 A N 4.693 127.536 122.820 0.039 0.000 2.331 12 A HA 0.727 5.047 4.320 0.001 0.000 0.283 12 A C -2.300 175.334 177.584 0.083 0.000 1.142 12 A CA -1.294 50.783 52.037 0.067 0.000 0.812 12 A CB -0.238 18.818 19.000 0.094 0.000 1.074 12 A HN 0.542 nan 8.150 nan 0.000 0.497 13 P HA 0.029 nan 4.420 nan 0.000 0.265 13 P C -0.339 176.986 177.300 0.042 0.000 1.193 13 P CA -0.141 62.983 63.100 0.041 0.000 0.765 13 P CB 0.423 32.139 31.700 0.027 0.000 0.823 14 L N 6.719 127.939 121.223 -0.005 0.000 2.562 14 L HA 0.144 4.484 4.340 0.001 0.000 0.271 14 L C -1.766 174.994 176.870 -0.183 0.000 1.167 14 L CA -1.248 53.522 54.840 -0.118 0.000 0.917 14 L CB -0.638 41.328 42.059 -0.156 0.000 1.187 14 L HN 0.318 nan 8.230 nan 0.000 0.482 15 P HA 0.120 nan 4.420 nan 0.000 0.268 15 P C -2.270 174.907 177.300 -0.205 0.000 1.204 15 P CA -1.238 61.753 63.100 -0.183 0.000 0.768 15 P CB 0.360 31.962 31.700 -0.163 0.000 0.842 16 P HA -0.232 nan 4.420 nan 0.000 0.219 16 P C 1.422 178.707 177.300 -0.025 0.000 1.153 16 P CA 1.731 64.814 63.100 -0.027 0.000 0.865 16 P CB -0.486 31.229 31.700 0.026 0.000 0.788 17 H N -2.000 117.012 119.070 -0.096 0.000 2.551 17 H HA 0.101 4.657 4.556 0.001 0.000 0.266 17 H C 0.051 175.348 175.328 -0.052 0.000 0.977 17 H CA 0.295 56.315 56.048 -0.047 0.000 1.163 17 H CB -0.708 29.054 29.762 0.001 0.000 1.381 17 H HN -0.057 nan 8.280 nan 0.000 0.581 18 V N 3.957 123.417 119.914 -0.757 0.000 2.432 18 V HA 0.195 4.315 4.120 0.001 0.000 0.275 18 V C -1.876 174.029 176.094 -0.316 0.000 1.043 18 V CA -1.583 60.305 62.300 -0.687 0.000 0.925 18 V CB 1.287 32.269 31.823 -1.402 0.000 0.985 18 V HN 0.209 nan 8.190 nan 0.000 0.466 19 P HA -0.042 nan 4.420 nan 0.000 0.267 19 P C 0.997 178.288 177.300 -0.015 0.000 1.195 19 P CA 0.080 63.186 63.100 0.009 0.000 0.773 19 P CB 0.540 32.225 31.700 -0.023 0.000 0.837 20 E N 2.796 123.077 120.200 0.135 0.000 2.046 20 E HA -0.243 4.107 4.350 0.001 0.000 0.190 20 E C 1.241 177.925 176.600 0.140 0.000 0.982 20 E CA 1.570 58.032 56.400 0.104 0.000 0.800 20 E CB -0.905 28.858 29.700 0.106 0.000 0.756 20 E HN 0.650 nan 8.360 nan 0.000 0.449 21 H N 0.673 119.759 119.070 0.028 0.000 2.556 21 H HA 0.176 4.732 4.556 0.001 0.000 0.268 21 H C 1.702 177.083 175.328 0.089 0.000 0.996 21 H CA 0.208 56.285 56.048 0.049 0.000 1.157 21 H CB -0.350 29.437 29.762 0.042 0.000 1.355 21 H HN 0.179 nan 8.280 nan 0.000 0.597 22 L N 1.058 122.144 121.223 -0.229 0.000 2.607 22 L HA 0.180 4.521 4.340 0.001 0.000 0.228 22 L C 0.148 177.079 176.870 0.103 0.000 1.123 22 L CA -0.238 54.554 54.840 -0.081 0.000 0.890 22 L CB 0.617 42.657 42.059 -0.032 0.000 1.103 22 L HN -0.031 nan 8.230 nan 0.000 0.468 23 V N 1.025 120.995 119.914 0.093 0.000 2.439 23 V HA 0.032 4.152 4.120 0.001 0.000 0.271 23 V C -0.532 175.663 176.094 0.168 0.000 1.040 23 V CA 0.187 62.573 62.300 0.143 0.000 1.002 23 V CB 0.720 32.596 31.823 0.088 0.000 1.000 23 V HN 0.094 nan 8.190 nan 0.000 0.477 24 F N 4.382 124.341 119.950 0.015 0.000 2.771 24 F HA 0.432 4.959 4.527 0.001 0.000 0.365 24 F C 0.293 176.079 175.800 -0.024 0.000 1.169 24 F CA -1.104 56.895 58.000 -0.003 0.000 1.093 24 F CB 1.082 40.077 39.000 -0.010 0.000 1.363 24 F HN 0.512 nan 8.300 nan 0.000 0.496 25 D N 5.959 126.292 120.400 -0.111 0.000 2.606 25 D HA -0.070 4.570 4.640 0.001 0.000 0.234 25 D C -0.253 176.040 176.300 -0.013 0.000 1.140 25 D CA 0.614 54.566 54.000 -0.080 0.000 1.182 25 D CB -0.488 40.236 40.800 -0.126 0.000 1.130 25 D HN 0.256 nan 8.370 nan 0.000 0.485 26 F N 1.663 121.615 119.950 0.002 0.000 2.420 26 F HA 0.151 4.678 4.527 0.001 0.000 0.352 26 F C 0.354 176.065 175.800 -0.149 0.000 1.108 26 F CA -1.089 56.903 58.000 -0.014 0.000 1.162 26 F CB 0.963 39.982 39.000 0.033 0.000 1.118 26 F HN -0.139 nan 8.300 nan 0.000 0.510 27 D N 6.955 126.928 120.400 -0.713 0.000 2.467 27 D HA 0.108 4.748 4.640 0.001 0.000 0.220 27 D C 1.136 176.908 176.300 -0.879 0.000 1.103 27 D CA -0.376 53.300 54.000 -0.540 0.000 0.886 27 D CB 0.674 41.282 40.800 -0.319 0.000 1.025 27 D HN 0.688 nan 8.370 nan 0.000 0.514 28 M N 1.880 121.079 119.600 -0.668 0.000 2.337 28 M HA -0.187 4.294 4.480 0.001 0.000 0.261 28 M C 0.203 176.229 176.300 -0.458 0.000 1.067 28 M CA 1.482 56.376 55.300 -0.676 0.000 1.074 28 M CB -0.311 32.120 32.600 -0.283 0.000 1.395 28 M HN 0.239 nan 8.290 nan 0.000 0.431 29 Y N 0.411 120.618 120.300 -0.155 0.000 2.457 29 Y HA 0.316 4.867 4.550 0.001 0.000 0.263 29 Y C 0.451 176.301 175.900 -0.083 0.000 1.164 29 Y CA -0.021 58.050 58.100 -0.048 0.000 1.274 29 Y CB 0.345 38.789 38.460 -0.027 0.000 1.097 29 Y HN 0.464 nan 8.280 nan 0.000 0.523 30 N N 0.444 119.087 118.700 -0.095 0.000 2.884 30 N HA 0.152 4.893 4.740 0.001 0.000 0.211 30 N C -3.272 172.081 175.510 -0.262 0.000 1.442 30 N CA -1.093 51.894 53.050 -0.105 0.000 0.757 30 N CB 1.011 39.471 38.487 -0.046 0.000 1.461 30 N HN -0.173 nan 8.380 nan 0.000 0.557 31 P HA 0.178 nan 4.420 nan 0.000 0.271 31 P C 0.594 177.800 177.300 -0.157 0.000 1.216 31 P CA -0.144 62.696 63.100 -0.433 0.000 0.776 31 P CB 1.180 32.639 31.700 -0.402 0.000 0.881 32 S N 1.669 117.303 115.700 -0.110 0.000 2.359 32 S HA -0.155 4.315 4.470 0.001 0.000 0.223 32 S C 1.198 175.801 174.600 0.007 0.000 1.039 32 S CA 1.369 59.546 58.200 -0.038 0.000 1.042 32 S CB -0.691 62.498 63.200 -0.018 0.000 0.915 32 S HN 0.568 nan 8.310 nan 0.000 0.439 33 N N 1.763 120.491 118.700 0.047 0.000 2.416 33 N HA 0.104 4.845 4.740 0.001 0.000 0.215 33 N C 0.948 176.505 175.510 0.079 0.000 1.208 33 N CA -0.036 53.054 53.050 0.065 0.000 0.834 33 N CB 0.195 38.737 38.487 0.091 0.000 1.072 33 N HN 0.200 nan 8.380 nan 0.000 0.472 34 L N 0.623 121.884 121.223 0.065 0.000 2.187 34 L HA -0.089 4.252 4.340 0.001 0.000 0.213 34 L C 1.818 178.725 176.870 0.062 0.000 1.100 34 L CA 1.552 56.449 54.840 0.095 0.000 0.765 34 L CB -0.591 41.515 42.059 0.078 0.000 0.904 34 L HN 0.025 nan 8.230 nan 0.000 0.437 35 S N -0.327 115.392 115.700 0.031 0.000 2.442 35 S HA -0.027 4.443 4.470 0.001 0.000 0.236 35 S C 1.735 176.328 174.600 -0.012 0.000 1.007 35 S CA 0.904 59.105 58.200 0.002 0.000 0.965 35 S CB -0.406 62.797 63.200 0.005 0.000 0.773 35 S HN 0.628 nan 8.310 nan 0.000 0.504 36 A N 0.718 123.549 122.820 0.018 0.000 2.337 36 A HA 0.589 4.909 4.320 0.001 0.000 0.227 36 A C 0.904 178.511 177.584 0.037 0.000 1.259 36 A CA 0.303 52.354 52.037 0.023 0.000 0.870 36 A CB -0.563 18.464 19.000 0.045 0.000 0.927 36 A HN 0.718 nan 8.150 nan 0.000 0.497 37 G N -2.238 106.569 108.800 0.011 0.000 2.576 37 G HA2 0.069 4.030 3.960 0.001 0.000 0.686 37 G HA3 0.069 4.030 3.960 0.001 0.000 0.686 37 G C 0.416 175.514 174.900 0.331 0.000 1.242 37 G CA -0.236 44.927 45.100 0.104 0.000 0.819 37 G HN 0.833 nan 8.290 nan 0.000 0.655 38 V N 0.937 121.251 119.914 0.667 0.000 2.548 38 V HA -0.074 4.046 4.120 0.001 0.000 0.249 38 V C 2.600 178.928 176.094 0.390 0.000 1.055 38 V CA 3.187 65.783 62.300 0.494 0.000 1.065 38 V CB -0.155 31.953 31.823 0.475 0.000 0.681 38 V HN 0.760 nan 8.190 nan 0.000 0.462 39 Q N -0.020 119.891 119.800 0.185 0.000 2.167 39 Q HA -0.161 4.179 4.340 0.001 0.000 0.202 39 Q C 2.053 178.149 176.000 0.160 0.000 0.970 39 Q CA 1.780 57.626 55.803 0.071 0.000 0.855 39 Q CB -0.199 28.481 28.738 -0.096 0.000 0.911 39 Q HN 0.670 nan 8.270 nan 0.000 0.438 40 E N 0.079 120.379 120.200 0.167 0.000 2.152 40 E HA -0.069 4.281 4.350 0.001 0.000 0.192 40 E C 1.762 178.471 176.600 0.181 0.000 0.983 40 E CA 1.042 57.524 56.400 0.137 0.000 0.818 40 E CB -0.255 29.511 29.700 0.110 0.000 0.758 40 E HN 0.390 nan 8.360 nan 0.000 0.467 41 A N 0.004 122.977 122.820 0.255 0.000 1.898 41 A HA -0.151 4.169 4.320 0.001 0.000 0.216 41 A C 1.591 179.356 177.584 0.302 0.000 1.181 41 A CA 1.124 53.312 52.037 0.252 0.000 0.620 41 A CB -0.910 18.236 19.000 0.244 0.000 0.819 41 A HN 0.362 nan 8.150 nan 0.000 0.442 42 W N -0.359 121.051 121.300 0.183 0.000 2.595 42 W HA 0.211 4.871 4.660 0.001 0.000 0.257 42 W C 2.460 178.910 176.519 -0.116 0.000 1.267 42 W CA 0.713 58.098 57.345 0.066 0.000 1.300 42 W CB -0.117 29.366 29.460 0.040 0.000 1.120 42 W HN 0.379 nan 8.180 nan 0.000 0.618 43 A N 0.288 123.199 122.820 0.152 0.000 2.119 43 A HA -0.060 4.260 4.320 0.001 0.000 0.217 43 A C 2.045 179.617 177.584 -0.019 0.000 1.153 43 A CA 1.536 53.593 52.037 0.034 0.000 0.692 43 A CB -1.096 17.926 19.000 0.036 0.000 0.799 43 A HN 0.220 nan 8.150 nan 0.000 0.458 44 V N -1.684 118.236 119.914 0.010 0.000 2.490 44 V HA -0.201 3.919 4.120 0.001 0.000 0.250 44 V C 2.005 178.024 176.094 -0.125 0.000 1.061 44 V CA 1.986 64.300 62.300 0.023 0.000 1.064 44 V CB -0.966 30.950 31.823 0.155 0.000 0.670 44 V HN 0.440 nan 8.190 nan 0.000 0.461 45 L N -0.007 121.020 121.223 -0.326 0.000 2.549 45 L HA -0.092 4.249 4.340 0.001 0.000 0.230 45 L C 2.407 179.045 176.870 -0.387 0.000 1.162 45 L CA 1.413 55.887 54.840 -0.610 0.000 0.834 45 L CB -0.460 41.169 42.059 -0.716 0.000 0.947 45 L HN 0.518 nan 8.230 nan 0.000 0.452 46 Q N -0.951 118.718 119.800 -0.219 0.000 2.159 46 Q HA 0.160 4.500 4.340 0.001 0.000 0.217 46 Q C -0.116 175.825 176.000 -0.098 0.000 0.818 46 Q CA -0.200 55.513 55.803 -0.150 0.000 1.008 46 Q CB 0.700 29.372 28.738 -0.110 0.000 1.148 46 Q HN 0.469 nan 8.270 nan 0.000 0.491 47 E N 1.080 121.232 120.200 -0.081 0.000 2.408 47 E HA -0.026 4.324 4.350 0.001 0.000 0.259 47 E C 0.962 177.543 176.600 -0.030 0.000 1.110 47 E CA 0.377 56.759 56.400 -0.030 0.000 0.929 47 E CB 0.762 30.471 29.700 0.014 0.000 0.971 47 E HN 0.188 nan 8.360 nan 0.000 0.438 48 S N 1.986 117.677 115.700 -0.014 0.000 2.400 48 S HA -0.318 4.152 4.470 0.001 0.000 0.234 48 S C 1.190 175.787 174.600 -0.004 0.000 1.049 48 S CA 2.086 60.278 58.200 -0.012 0.000 1.039 48 S CB -0.656 62.542 63.200 -0.004 0.000 0.856 48 S HN 0.716 nan 8.310 nan 0.000 0.465 49 N N 0.343 119.053 118.700 0.015 0.000 2.314 49 N HA 0.252 4.992 4.740 0.001 0.000 0.200 49 N C -0.582 174.955 175.510 0.044 0.000 1.135 49 N CA -0.229 52.843 53.050 0.036 0.000 0.835 49 N CB 0.399 38.921 38.487 0.058 0.000 0.989 49 N HN 0.268 nan 8.380 nan 0.000 0.478 50 V N 1.129 121.037 119.914 -0.009 0.000 2.398 50 V HA 0.399 4.519 4.120 0.001 0.000 0.286 50 V C -2.019 174.028 176.094 -0.079 0.000 1.026 50 V CA -1.969 60.293 62.300 -0.063 0.000 0.868 50 V CB 1.165 32.839 31.823 -0.249 0.000 0.982 50 V HN 0.077 nan 8.190 nan 0.000 0.443 51 P HA 0.077 nan 4.420 nan 0.000 0.268 51 P C 0.486 177.735 177.300 -0.084 0.000 1.208 51 P CA -0.067 63.009 63.100 -0.039 0.000 0.777 51 P CB 0.609 32.310 31.700 0.001 0.000 0.875 52 D N 0.256 120.598 120.400 -0.097 0.000 2.149 52 D HA -0.106 4.535 4.640 0.001 0.000 0.198 52 D C 0.573 176.811 176.300 -0.103 0.000 0.990 52 D CA 1.586 55.505 54.000 -0.135 0.000 0.839 52 D CB -0.044 40.634 40.800 -0.203 0.000 0.948 52 D HN 0.105 nan 8.370 nan 0.000 0.460 53 L N 1.035 122.226 121.223 -0.054 0.000 2.372 53 L HA 0.312 4.653 4.340 0.001 0.000 0.273 53 L C -0.559 176.413 176.870 0.171 0.000 0.989 53 L CA -0.896 53.970 54.840 0.044 0.000 0.841 53 L CB 1.629 43.691 42.059 0.004 0.000 1.225 53 L HN -0.166 nan 8.230 nan 0.000 0.414 54 V N 2.020 122.075 119.914 0.235 0.000 3.166 54 V HA 0.706 4.826 4.120 0.001 0.000 0.317 54 V C -1.254 175.106 176.094 0.444 0.000 1.136 54 V CA -0.778 61.704 62.300 0.303 0.000 1.035 54 V CB 2.062 33.948 31.823 0.105 0.000 1.110 54 V HN 0.922 nan 8.190 nan 0.000 0.450 55 W N 1.614 122.919 121.300 0.008 0.000 2.600 55 W HA 0.673 5.334 4.660 0.001 0.000 0.325 55 W C -1.129 175.243 176.519 -0.244 0.000 1.034 55 W CA -0.272 56.861 57.345 -0.354 0.000 1.226 55 W CB 1.861 30.793 29.460 -0.881 0.000 1.379 55 W HN 0.875 nan 8.180 nan 0.000 0.466 56 T N 5.215 119.255 114.554 -0.858 0.000 2.855 56 T HA 0.418 4.768 4.350 0.001 0.000 0.281 56 T C 0.789 175.042 174.700 -0.744 0.000 1.007 56 T CA -0.462 61.296 62.100 -0.569 0.000 1.009 56 T CB 1.104 69.681 68.868 -0.484 0.000 0.983 56 T HN 0.604 nan 8.240 nan 0.000 0.455 57 R N 2.038 122.387 120.500 -0.251 0.000 2.334 57 R HA 0.231 4.571 4.340 0.001 0.000 0.220 57 R C 0.193 176.424 176.300 -0.116 0.000 0.917 57 R CA -0.273 55.776 56.100 -0.086 0.000 1.073 57 R CB -0.336 29.999 30.300 0.057 0.000 1.056 57 R HN 0.502 nan 8.270 nan 0.000 0.506 58 C N 1.372 120.557 119.300 -0.192 0.000 2.534 58 C HA 0.157 4.618 4.460 0.001 0.000 0.385 58 C C 0.630 175.598 174.990 -0.035 0.000 1.264 58 C CA -0.661 58.295 59.018 -0.103 0.000 2.342 58 C CB 0.204 27.875 27.740 -0.114 0.000 2.564 58 C HN 0.685 nan 8.230 nan 0.000 0.603 59 N N 1.230 119.953 118.700 0.037 0.000 2.705 59 N HA -0.115 4.625 4.740 0.001 0.000 0.255 59 N C 0.730 176.295 175.510 0.090 0.000 1.008 59 N CA 0.975 54.082 53.050 0.096 0.000 0.742 59 N CB -1.200 37.400 38.487 0.189 0.000 0.906 59 N HN 1.418 nan 8.380 nan 0.000 0.541 60 G N -1.716 107.117 108.800 0.054 0.000 2.199 60 G HA2 0.101 4.062 3.960 0.001 0.000 0.254 60 G HA3 0.101 4.062 3.960 0.001 0.000 0.254 60 G C 0.617 175.550 174.900 0.056 0.000 0.982 60 G CA 0.398 45.538 45.100 0.066 0.000 0.632 60 G HN 1.755 nan 8.290 nan 0.000 0.529 61 G N -0.681 108.076 108.800 -0.072 0.000 3.137 61 G HA2 0.504 4.465 3.960 0.001 0.000 0.686 61 G HA3 0.504 4.465 3.960 0.001 0.000 0.686 61 G C -0.407 173.975 174.900 -0.863 0.000 0.988 61 G CA 0.729 45.604 45.100 -0.375 0.000 0.789 61 G HN 2.870 nan 8.290 nan 0.000 0.544 62 H N -1.481 116.558 119.070 -1.719 0.000 3.003 62 H HA 0.657 5.213 4.556 0.001 0.000 0.327 62 H C -0.446 174.169 175.328 -1.188 0.000 1.353 62 H CA -1.615 53.627 56.048 -1.343 0.000 1.142 62 H CB 0.107 29.581 29.762 -0.479 0.000 1.864 62 H HN 0.651 nan 8.280 nan 0.000 0.529 63 W N 0.802 121.997 121.300 -0.175 0.000 2.129 63 W HA 0.603 5.263 4.660 0.001 0.000 0.349 63 W C -0.223 176.350 176.519 0.090 0.000 1.279 63 W CA -0.494 56.894 57.345 0.070 0.000 1.306 63 W CB 0.764 30.380 29.460 0.260 0.000 1.140 63 W HN 0.460 nan 8.180 nan 0.000 0.613 64 I N 2.313 123.094 120.570 0.353 0.000 2.599 64 I HA 0.256 4.426 4.170 0.001 0.000 0.285 64 I C -0.456 175.724 176.117 0.105 0.000 1.168 64 I CA -0.994 60.411 61.300 0.174 0.000 1.060 64 I CB 1.105 39.133 38.000 0.047 0.000 1.249 64 I HN 0.429 nan 8.210 nan 0.000 0.442 65 A N 3.332 126.188 122.820 0.059 0.000 2.409 65 A HA 0.498 4.819 4.320 0.001 0.000 0.267 65 A C 1.059 178.613 177.584 -0.050 0.000 1.127 65 A CA 0.070 52.111 52.037 0.008 0.000 0.795 65 A CB 0.172 19.162 19.000 -0.016 0.000 1.061 65 A HN 0.841 nan 8.150 nan 0.000 0.502 66 T N -0.203 114.296 114.554 -0.093 0.000 3.069 66 T HA 0.229 4.579 4.350 0.001 0.000 0.252 66 T C 0.532 175.160 174.700 -0.120 0.000 1.053 66 T CA -0.125 61.892 62.100 -0.138 0.000 0.964 66 T CB 0.070 68.813 68.868 -0.209 0.000 1.005 66 T HN 0.513 nan 8.240 nan 0.000 0.532 67 R N 0.592 121.026 120.500 -0.111 0.000 2.562 67 R HA 0.603 4.943 4.340 0.001 0.000 0.298 67 R C 1.465 177.711 176.300 -0.089 0.000 0.961 67 R CA -0.606 55.429 56.100 -0.108 0.000 0.881 67 R CB 0.956 31.175 30.300 -0.135 0.000 1.159 67 R HN 0.208 nan 8.270 nan 0.000 0.450 68 G N 1.259 110.011 108.800 -0.080 0.000 2.485 68 G HA2 -0.300 3.660 3.960 0.001 0.000 0.221 68 G HA3 -0.300 3.660 3.960 0.001 0.000 0.221 68 G C 1.017 175.873 174.900 -0.073 0.000 1.115 68 G CA 0.455 45.513 45.100 -0.071 0.000 0.751 68 G HN 0.558 nan 8.290 nan 0.000 0.567 69 Q N -0.548 119.203 119.800 -0.082 0.000 2.046 69 Q HA -0.068 4.272 4.340 0.001 0.000 0.200 69 Q C 2.549 178.530 176.000 -0.032 0.000 0.975 69 Q CA 1.021 56.783 55.803 -0.069 0.000 0.836 69 Q CB -0.135 28.542 28.738 -0.103 0.000 0.896 69 Q HN 0.419 nan 8.270 nan 0.000 0.428 70 L N 0.587 121.767 121.223 -0.072 0.000 2.044 70 L HA -0.151 4.190 4.340 0.001 0.000 0.205 70 L C 2.370 179.277 176.870 0.062 0.000 1.075 70 L CA 1.239 56.099 54.840 0.033 0.000 0.747 70 L CB -0.682 41.349 42.059 -0.047 0.000 0.903 70 L HN 0.228 nan 8.230 nan 0.000 0.435 71 I N -0.677 119.879 120.570 -0.023 0.000 2.087 71 I HA -0.405 3.766 4.170 0.001 0.000 0.240 71 I C 2.706 178.849 176.117 0.043 0.000 1.054 71 I CA 1.542 62.811 61.300 -0.051 0.000 1.311 71 I CB -0.442 37.562 38.000 0.007 0.000 1.024 71 I HN 0.252 nan 8.210 nan 0.000 0.402 72 R N 0.353 120.879 120.500 0.044 0.000 2.091 72 R HA -0.236 4.104 4.340 0.001 0.000 0.238 72 R C 2.263 178.704 176.300 0.235 0.000 1.136 72 R CA 1.870 57.986 56.100 0.026 0.000 0.959 72 R CB -0.435 29.698 30.300 -0.278 0.000 0.856 72 R HN 0.476 nan 8.270 nan 0.000 0.437 73 E N 0.748 121.050 120.200 0.170 0.000 2.023 73 E HA -0.222 4.128 4.350 0.001 0.000 0.196 73 E C 2.014 178.716 176.600 0.171 0.000 1.003 73 E CA 1.449 57.993 56.400 0.241 0.000 0.809 73 E CB -0.119 29.792 29.700 0.352 0.000 0.755 73 E HN 0.354 nan 8.360 nan 0.000 0.449 74 A N -0.008 122.759 122.820 -0.090 0.000 1.908 74 A HA -0.199 4.122 4.320 0.001 0.000 0.218 74 A C 1.962 179.396 177.584 -0.250 0.000 1.181 74 A CA 1.569 53.196 52.037 -0.683 0.000 0.627 74 A CB -0.995 17.124 19.000 -1.468 0.000 0.818 74 A HN 0.493 nan 8.150 nan 0.000 0.445 75 Y N 0.283 120.576 120.300 -0.012 0.000 2.574 75 Y HA -0.066 4.484 4.550 0.001 0.000 0.294 75 Y C 2.276 178.283 175.900 0.179 0.000 1.142 75 Y CA 1.201 59.371 58.100 0.118 0.000 1.314 75 Y CB -0.155 38.416 38.460 0.185 0.000 0.991 75 Y HN 0.504 nan 8.280 nan 0.000 0.555 76 E N -1.058 119.336 120.200 0.324 0.000 2.276 76 E HA -0.077 4.273 4.350 0.001 0.000 0.193 76 E C 0.249 176.943 176.600 0.156 0.000 0.983 76 E CA 0.408 56.943 56.400 0.223 0.000 0.861 76 E CB 0.172 29.996 29.700 0.207 0.000 0.817 76 E HN 0.140 nan 8.360 nan 0.000 0.485 77 D N 0.465 120.977 120.400 0.188 0.000 2.563 77 D HA -0.024 4.616 4.640 0.001 0.000 0.222 77 D C 0.492 176.868 176.300 0.126 0.000 1.145 77 D CA -0.393 53.664 54.000 0.094 0.000 1.001 77 D CB -0.152 40.786 40.800 0.230 0.000 1.049 77 D HN 0.144 nan 8.370 nan 0.000 0.515 78 Y N 1.049 121.449 120.300 0.166 0.000 2.571 78 Y HA 0.117 4.667 4.550 0.001 0.000 0.294 78 Y C 1.921 177.827 175.900 0.010 0.000 1.141 78 Y CA 0.088 58.268 58.100 0.132 0.000 1.308 78 Y CB -0.475 38.067 38.460 0.138 0.000 1.002 78 Y HN 0.083 nan 8.280 nan 0.000 0.551 79 R N 0.047 120.397 120.500 -0.250 0.000 2.115 79 R HA -0.079 4.261 4.340 0.001 0.000 0.230 79 R C 1.148 177.151 176.300 -0.495 0.000 1.111 79 R CA 2.019 57.939 56.100 -0.300 0.000 0.976 79 R CB -0.484 29.553 30.300 -0.438 0.000 0.870 79 R HN 0.599 nan 8.270 nan 0.000 0.445 80 H N -2.807 116.015 119.070 -0.413 0.000 2.460 80 H HA 0.255 4.812 4.556 0.001 0.000 0.297 80 H C -0.365 174.576 175.328 -0.645 0.000 1.023 80 H CA 0.443 56.064 56.048 -0.712 0.000 1.321 80 H CB 0.289 29.242 29.762 -1.349 0.000 1.455 80 H HN -0.045 nan 8.280 nan 0.000 0.539 81 F N 1.445 121.376 119.950 -0.032 0.000 2.351 81 F HA 0.299 4.826 4.527 0.001 0.000 0.362 81 F C 0.570 176.399 175.800 0.048 0.000 1.131 81 F CA -0.606 57.379 58.000 -0.024 0.000 1.187 81 F CB 0.805 39.752 39.000 -0.088 0.000 1.434 81 F HN -0.061 nan 8.300 nan 0.000 0.553 82 S N 1.143 116.932 115.700 0.148 0.000 2.584 82 S HA 0.211 4.682 4.470 0.001 0.000 0.273 82 S C 1.119 175.783 174.600 0.106 0.000 1.311 82 S CA -0.513 57.765 58.200 0.130 0.000 1.034 82 S CB 1.027 64.267 63.200 0.067 0.000 0.939 82 S HN 0.530 nan 8.310 nan 0.000 0.513 83 S N 2.684 118.430 115.700 0.076 0.000 2.593 83 S HA 0.070 4.541 4.470 0.001 0.000 0.217 83 S C 1.501 176.079 174.600 -0.037 0.000 0.966 83 S CA -0.039 58.143 58.200 -0.031 0.000 0.914 83 S CB -0.193 62.890 63.200 -0.195 0.000 0.776 83 S HN 0.859 nan 8.310 nan 0.000 0.523 84 E N 0.363 120.570 120.200 0.012 0.000 2.097 84 E HA -0.185 4.165 4.350 0.001 0.000 0.196 84 E C 0.577 177.174 176.600 -0.004 0.000 1.000 84 E CA 0.904 57.314 56.400 0.016 0.000 0.804 84 E CB 0.085 29.801 29.700 0.026 0.000 0.740 84 E HN 0.425 nan 8.360 nan 0.000 0.454 85 C N 1.447 120.737 119.300 -0.017 0.000 3.188 85 C HA 0.416 4.876 4.460 0.001 0.000 0.230 85 C C -1.833 173.126 174.990 -0.053 0.000 1.239 85 C CA -1.664 57.332 59.018 -0.036 0.000 1.494 85 C CB 0.693 28.435 27.740 0.003 0.000 1.798 85 C HN 0.298 nan 8.230 nan 0.000 0.458 86 P HA 0.056 nan 4.420 nan 0.000 0.231 86 P C 0.209 177.574 177.300 0.108 0.000 1.168 86 P CA 0.760 63.814 63.100 -0.076 0.000 0.779 86 P CB 0.273 31.817 31.700 -0.259 0.000 0.844 87 F N 0.219 119.951 119.950 -0.363 0.000 2.450 87 F HA 0.477 5.004 4.527 0.001 0.000 0.328 87 F C 1.038 176.702 175.800 -0.227 0.000 1.068 87 F CA -1.909 55.898 58.000 -0.322 0.000 1.007 87 F CB 0.735 39.449 39.000 -0.477 0.000 1.251 87 F HN -0.329 nan 8.300 nan 0.000 0.492 88 I N 3.479 124.010 120.570 -0.065 0.000 2.545 88 I HA 0.313 4.484 4.170 0.001 0.000 0.292 88 I C -2.189 173.985 176.117 0.094 0.000 1.040 88 I CA -2.056 59.195 61.300 -0.082 0.000 1.068 88 I CB 2.580 40.382 38.000 -0.330 0.000 1.251 88 I HN 0.332 nan 8.210 nan 0.000 0.424 89 P HA 0.083 nan 4.420 nan 0.000 0.274 89 P C 0.379 177.691 177.300 0.021 0.000 1.260 89 P CA -0.292 62.837 63.100 0.048 0.000 0.793 89 P CB 0.976 32.714 31.700 0.064 0.000 1.048 90 R N 0.268 120.785 120.500 0.028 0.000 2.117 90 R HA -0.210 4.130 4.340 0.001 0.000 0.243 90 R C 1.907 178.219 176.300 0.020 0.000 1.143 90 R CA 1.994 58.111 56.100 0.028 0.000 0.968 90 R CB -0.365 29.967 30.300 0.052 0.000 0.863 90 R HN 0.401 nan 8.270 nan 0.000 0.444 91 E N 0.105 120.324 120.200 0.031 0.000 2.118 91 E HA -0.165 4.186 4.350 0.001 0.000 0.195 91 E C 1.764 178.380 176.600 0.026 0.000 0.992 91 E CA 1.521 57.943 56.400 0.037 0.000 0.804 91 E CB -0.204 29.525 29.700 0.049 0.000 0.741 91 E HN 0.490 nan 8.360 nan 0.000 0.458 92 A N 0.507 123.322 122.820 -0.010 0.000 1.854 92 A HA 0.022 4.342 4.320 0.001 0.000 0.214 92 A C 2.466 179.847 177.584 -0.338 0.000 1.192 92 A CA 1.563 53.499 52.037 -0.168 0.000 0.611 92 A CB -1.181 17.741 19.000 -0.129 0.000 0.832 92 A HN 0.348 nan 8.150 nan 0.000 0.442 93 G N -0.269 108.438 108.800 -0.154 0.000 2.418 93 G HA2 -0.211 3.749 3.960 0.001 0.000 0.217 93 G HA3 -0.211 3.749 3.960 0.001 0.000 0.217 93 G C 1.397 176.243 174.900 -0.090 0.000 1.158 93 G CA 0.982 45.995 45.100 -0.144 0.000 0.771 93 G HN 0.648 nan 8.290 nan 0.000 0.545 94 E N 0.618 120.797 120.200 -0.035 0.000 2.118 94 E HA -0.099 4.251 4.350 0.001 0.000 0.195 94 E C 2.873 179.478 176.600 0.008 0.000 0.992 94 E CA 0.876 57.276 56.400 -0.000 0.000 0.804 94 E CB -0.185 29.526 29.700 0.019 0.000 0.741 94 E HN 0.438 nan 8.360 nan 0.000 0.458 95 A N 0.952 123.779 122.820 0.013 0.000 1.968 95 A HA -0.125 4.196 4.320 0.001 0.000 0.217 95 A C 0.893 178.493 177.584 0.026 0.000 1.169 95 A CA 0.232 52.305 52.037 0.060 0.000 0.638 95 A CB -0.477 18.627 19.000 0.173 0.000 0.812 95 A HN 0.292 nan 8.150 nan 0.000 0.446 96 Y N 2.306 122.459 120.300 -0.244 0.000 2.729 96 Y HA 0.168 4.718 4.550 0.001 0.000 0.331 96 Y C 0.349 176.085 175.900 -0.273 0.000 1.208 96 Y CA 0.109 57.949 58.100 -0.433 0.000 1.521 96 Y CB 0.507 38.440 38.460 -0.878 0.000 1.233 96 Y HN 0.471 nan 8.280 nan 0.000 0.539 97 D N 4.319 124.478 120.400 -0.400 0.000 2.651 97 D HA 0.006 4.646 4.640 0.001 0.000 0.280 97 D C -0.784 175.536 176.300 0.035 0.000 1.496 97 D CA -0.323 53.640 54.000 -0.062 0.000 0.792 97 D CB -0.911 39.907 40.800 0.030 0.000 1.144 97 D HN 0.139 nan 8.370 nan 0.000 0.470 98 F N 1.496 121.226 119.950 -0.367 0.000 2.572 98 F HA 0.294 4.821 4.527 0.001 0.000 0.370 98 F C 1.263 177.058 175.800 -0.008 0.000 1.103 98 F CA -0.892 56.988 58.000 -0.200 0.000 1.286 98 F CB 0.378 39.150 39.000 -0.380 0.000 1.105 98 F HN -0.074 nan 8.300 nan 0.000 0.583 99 I N 6.019 126.682 120.570 0.155 0.000 2.377 99 I HA 0.214 4.384 4.170 0.001 0.000 0.293 99 I C -1.587 174.596 176.117 0.110 0.000 0.987 99 I CA -1.669 59.645 61.300 0.024 0.000 1.185 99 I CB 2.318 40.180 38.000 -0.230 0.000 1.341 99 I HN 0.355 nan 8.210 nan 0.000 0.455 100 P HA 0.088 nan 4.420 nan 0.000 0.268 100 P C 0.884 178.355 177.300 0.285 0.000 1.329 100 P CA 0.136 63.335 63.100 0.165 0.000 0.899 100 P CB 0.243 32.063 31.700 0.200 0.000 1.378 101 T N 0.094 114.839 114.554 0.317 0.000 2.897 101 T HA -0.104 4.246 4.350 0.001 0.000 0.271 101 T C 1.637 176.401 174.700 0.108 0.000 1.084 101 T CA 2.037 64.307 62.100 0.283 0.000 1.123 101 T CB -0.550 68.554 68.868 0.393 0.000 0.865 101 T HN 0.324 nan 8.240 nan 0.000 0.496 102 S N -0.439 115.401 115.700 0.232 0.000 2.568 102 S HA 0.432 4.902 4.470 0.001 0.000 0.232 102 S C 0.303 174.954 174.600 0.085 0.000 0.975 102 S CA -0.642 57.633 58.200 0.126 0.000 0.949 102 S CB -0.270 63.096 63.200 0.276 0.000 0.829 102 S HN 0.311 nan 8.310 nan 0.000 0.479 103 M N 1.828 121.509 119.600 0.136 0.000 2.578 103 M HA 0.529 5.009 4.480 0.001 0.000 0.321 103 M C -1.033 175.379 176.300 0.187 0.000 1.182 103 M CA -0.633 54.736 55.300 0.115 0.000 0.965 103 M CB 1.375 34.018 32.600 0.072 0.000 1.694 103 M HN 0.048 nan 8.290 nan 0.000 0.461 104 D N 1.399 121.849 120.400 0.082 0.000 2.272 104 D HA 0.500 5.140 4.640 0.001 0.000 0.247 104 D C -2.490 173.699 176.300 -0.185 0.000 0.990 104 D CA -1.289 52.709 54.000 -0.003 0.000 0.931 104 D CB 1.341 42.144 40.800 0.005 0.000 1.195 104 D HN 0.134 nan 8.370 nan 0.000 0.477 105 P HA 0.098 nan 4.420 nan 0.000 0.270 105 P C -1.763 175.355 177.300 -0.303 0.000 1.223 105 P CA -0.793 62.035 63.100 -0.452 0.000 0.785 105 P CB 0.376 31.636 31.700 -0.733 0.000 0.923 106 P HA 0.006 nan 4.420 nan 0.000 0.245 106 P C 0.638 177.921 177.300 -0.027 0.000 1.203 106 P CA 0.840 63.893 63.100 -0.078 0.000 0.792 106 P CB 0.270 31.955 31.700 -0.025 0.000 0.997 107 E N 0.680 120.879 120.200 -0.001 0.000 2.171 107 E HA -0.228 4.123 4.350 0.001 0.000 0.197 107 E C 2.289 178.981 176.600 0.154 0.000 0.997 107 E CA 1.221 57.668 56.400 0.078 0.000 0.810 107 E CB -0.656 29.086 29.700 0.071 0.000 0.738 107 E HN 0.385 nan 8.360 nan 0.000 0.467 108 Q N 0.628 120.473 119.800 0.075 0.000 2.050 108 Q HA -0.226 4.114 4.340 0.001 0.000 0.202 108 Q C 1.744 177.815 176.000 0.118 0.000 0.980 108 Q CA 1.056 56.925 55.803 0.110 0.000 0.840 108 Q CB 0.103 28.826 28.738 -0.026 0.000 0.898 108 Q HN 0.106 nan 8.270 nan 0.000 0.424 109 R N 0.466 120.977 120.500 0.018 0.000 2.227 109 R HA -0.257 4.083 4.340 0.001 0.000 0.246 109 R C 2.148 178.447 176.300 -0.002 0.000 1.119 109 R CA 2.023 58.119 56.100 -0.007 0.000 0.930 109 R CB -1.437 28.846 30.300 -0.027 0.000 0.912 109 R HN 0.495 nan 8.270 nan 0.000 0.435 110 Q N -0.269 119.511 119.800 -0.033 0.000 2.014 110 Q HA -0.133 4.207 4.340 0.001 0.000 0.207 110 Q C 2.409 178.291 176.000 -0.196 0.000 0.993 110 Q CA 1.799 57.499 55.803 -0.172 0.000 0.850 110 Q CB -0.521 28.009 28.738 -0.346 0.000 0.916 110 Q HN 0.388 nan 8.270 nan 0.000 0.417 111 F N 0.537 120.487 119.950 -0.000 0.000 2.134 111 F HA -0.139 4.389 4.527 0.001 0.000 0.299 111 F C 2.670 178.478 175.800 0.014 0.000 1.097 111 F CA 1.227 59.234 58.000 0.012 0.000 1.264 111 F CB -0.415 38.602 39.000 0.029 0.000 1.001 111 F HN 0.078 nan 8.300 nan 0.000 0.479 112 R N 0.751 121.365 120.500 0.189 0.000 2.120 112 R HA -0.141 4.199 4.340 0.001 0.000 0.234 112 R C 2.225 178.557 176.300 0.054 0.000 1.123 112 R CA 1.149 57.313 56.100 0.106 0.000 0.975 112 R CB -0.405 29.927 30.300 0.054 0.000 0.866 112 R HN 0.288 nan 8.270 nan 0.000 0.446 113 A N 0.930 123.763 122.820 0.022 0.000 1.930 113 A HA -0.134 4.187 4.320 0.001 0.000 0.217 113 A C 1.967 179.548 177.584 -0.005 0.000 1.175 113 A CA 0.945 52.979 52.037 -0.005 0.000 0.627 113 A CB -0.437 18.543 19.000 -0.033 0.000 0.815 113 A HN 0.363 nan 8.150 nan 0.000 0.443 114 L N -0.330 120.888 121.223 -0.007 0.000 2.109 114 L HA 0.053 4.394 4.340 0.001 0.000 0.207 114 L C 2.612 179.497 176.870 0.026 0.000 1.086 114 L CA 1.979 56.816 54.840 -0.005 0.000 0.760 114 L CB -0.812 41.236 42.059 -0.018 0.000 0.910 114 L HN 0.323 nan 8.230 nan 0.000 0.437 115 A N -0.448 122.406 122.820 0.057 0.000 1.930 115 A HA -0.250 4.070 4.320 0.001 0.000 0.217 115 A C 2.150 179.764 177.584 0.050 0.000 1.175 115 A CA 1.655 53.732 52.037 0.066 0.000 0.627 115 A CB -0.960 18.097 19.000 0.096 0.000 0.815 115 A HN 0.605 nan 8.150 nan 0.000 0.443 116 N N -0.313 118.411 118.700 0.041 0.000 2.364 116 N HA -0.163 4.578 4.740 0.001 0.000 0.183 116 N C 1.737 177.258 175.510 0.020 0.000 1.022 116 N CA 1.545 54.616 53.050 0.034 0.000 0.883 116 N CB -0.300 38.202 38.487 0.025 0.000 0.965 116 N HN 0.629 nan 8.380 nan 0.000 0.438 117 Q N -0.734 119.072 119.800 0.010 0.000 2.230 117 Q HA -0.029 4.311 4.340 0.001 0.000 0.202 117 Q C 1.644 177.643 176.000 -0.003 0.000 0.963 117 Q CA 1.239 57.040 55.803 -0.002 0.000 0.866 117 Q CB 0.232 28.964 28.738 -0.010 0.000 0.931 117 Q HN 0.493 nan 8.270 nan 0.000 0.452 118 V N -2.902 117.016 119.914 0.006 0.000 3.608 118 V HA 0.085 4.205 4.120 0.001 0.000 0.269 118 V C 1.246 177.344 176.094 0.007 0.000 1.245 118 V CA 0.588 62.887 62.300 -0.002 0.000 1.138 118 V CB 0.599 32.420 31.823 -0.003 0.000 0.841 118 V HN 0.219 nan 8.190 nan 0.000 0.451 119 V N -3.449 116.482 119.914 0.028 0.000 3.509 119 V HA 0.655 4.775 4.120 0.001 0.000 0.286 119 V C 1.070 177.199 176.094 0.058 0.000 1.618 119 V CA 0.218 62.545 62.300 0.045 0.000 1.088 119 V CB -0.756 31.112 31.823 0.075 0.000 0.909 119 V HN 0.449 nan 8.190 nan 0.000 0.429 120 G N -0.108 108.720 108.800 0.047 0.000 2.631 120 G HA2 0.309 4.269 3.960 0.001 0.000 0.271 120 G HA3 0.309 4.269 3.960 0.001 0.000 0.271 120 G C 0.772 175.668 174.900 -0.006 0.000 1.302 120 G CA 0.138 45.271 45.100 0.055 0.000 1.002 120 G HN 0.029 nan 8.290 nan 0.000 0.519 121 M N 0.429 119.941 119.600 -0.146 0.000 2.082 121 M HA -0.089 4.392 4.480 0.001 0.000 0.258 121 M C 0.192 176.431 176.300 -0.102 0.000 1.069 121 M CA 1.907 57.077 55.300 -0.217 0.000 1.102 121 M CB -1.858 30.499 32.600 -0.405 0.000 1.336 121 M HN 0.239 nan 8.290 nan 0.000 0.404 122 P HA -0.121 nan 4.420 nan 0.000 0.215 122 P C 1.829 179.109 177.300 -0.034 0.000 1.157 122 P CA 1.285 64.354 63.100 -0.052 0.000 0.874 122 P CB -0.146 31.527 31.700 -0.045 0.000 0.790 123 V N -0.577 119.320 119.914 -0.027 0.000 2.343 123 V HA -0.193 3.927 4.120 0.001 0.000 0.247 123 V C 2.448 178.535 176.094 -0.012 0.000 1.051 123 V CA 1.757 64.046 62.300 -0.018 0.000 1.036 123 V CB -1.318 30.497 31.823 -0.013 0.000 0.654 123 V HN -0.032 nan 8.190 nan 0.000 0.451 124 V N 0.266 120.177 119.914 -0.006 0.000 2.490 124 V HA -0.238 3.882 4.120 0.001 0.000 0.250 124 V C 2.258 178.355 176.094 0.006 0.000 1.061 124 V CA 2.046 64.351 62.300 0.008 0.000 1.064 124 V CB -0.714 31.126 31.823 0.028 0.000 0.670 124 V HN 0.563 nan 8.190 nan 0.000 0.461 125 D N 0.854 121.248 120.400 -0.009 0.000 2.097 125 D HA -0.155 4.485 4.640 0.001 0.000 0.197 125 D C 2.177 178.478 176.300 0.001 0.000 0.984 125 D CA 1.565 55.562 54.000 -0.005 0.000 0.826 125 D CB -0.266 40.523 40.800 -0.018 0.000 0.973 125 D HN 0.623 nan 8.370 nan 0.000 0.460 126 K N 0.564 120.960 120.400 -0.006 0.000 2.442 126 K HA -0.001 4.319 4.320 0.001 0.000 0.198 126 K C 1.850 178.450 176.600 0.001 0.000 1.042 126 K CA 0.716 57.001 56.287 -0.004 0.000 0.958 126 K CB -0.085 32.408 32.500 -0.011 0.000 0.766 126 K HN 0.156 nan 8.250 nan 0.000 0.474 127 L N 0.761 121.986 121.223 0.003 0.000 2.554 127 L HA 0.105 4.446 4.340 0.001 0.000 0.225 127 L C 2.360 179.246 176.870 0.027 0.000 1.104 127 L CA 0.107 54.952 54.840 0.008 0.000 0.866 127 L CB -0.148 41.909 42.059 -0.002 0.000 1.047 127 L HN 0.322 nan 8.230 nan 0.000 0.468 128 E N 1.462 121.682 120.200 0.033 0.000 2.086 128 E HA -0.308 4.043 4.350 0.001 0.000 0.205 128 E C 1.606 178.245 176.600 0.064 0.000 1.027 128 E CA 2.230 58.662 56.400 0.053 0.000 0.830 128 E CB -0.020 29.708 29.700 0.046 0.000 0.751 128 E HN 0.572 nan 8.360 nan 0.000 0.456 129 N N -0.391 118.338 118.700 0.048 0.000 2.061 129 N HA -0.196 4.544 4.740 0.001 0.000 0.193 129 N C 2.011 177.558 175.510 0.062 0.000 1.030 129 N CA 0.983 54.063 53.050 0.050 0.000 0.856 129 N CB -0.090 38.418 38.487 0.035 0.000 1.023 129 N HN 0.097 nan 8.380 nan 0.000 0.424 130 R N 1.148 121.680 120.500 0.053 0.000 2.070 130 R HA -0.050 4.291 4.340 0.001 0.000 0.233 130 R C 2.309 178.667 176.300 0.097 0.000 1.137 130 R CA 0.896 57.030 56.100 0.058 0.000 0.945 130 R CB -1.052 29.267 30.300 0.032 0.000 0.845 130 R HN 0.357 nan 8.270 nan 0.000 0.430 131 I N 1.150 121.781 120.570 0.102 0.000 2.151 131 I HA -0.363 3.808 4.170 0.001 0.000 0.243 131 I C 2.905 179.205 176.117 0.305 0.000 1.080 131 I CA 1.625 63.032 61.300 0.178 0.000 1.339 131 I CB -0.391 37.691 38.000 0.136 0.000 1.039 131 I HN 0.308 nan 8.210 nan 0.000 0.409 132 Q N 0.880 120.801 119.800 0.201 0.000 2.046 132 Q HA -0.242 4.098 4.340 0.001 0.000 0.200 132 Q C 2.328 178.412 176.000 0.140 0.000 0.975 132 Q CA 2.228 58.133 55.803 0.169 0.000 0.836 132 Q CB -0.062 28.745 28.738 0.115 0.000 0.896 132 Q HN 0.586 nan 8.270 nan 0.000 0.428 133 E N 0.987 121.257 120.200 0.116 0.000 2.077 133 E HA -0.196 4.154 4.350 0.001 0.000 0.193 133 E C 1.750 178.418 176.600 0.112 0.000 0.989 133 E CA 1.326 57.781 56.400 0.092 0.000 0.800 133 E CB -1.022 28.719 29.700 0.070 0.000 0.746 133 E HN 0.394 nan 8.360 nan 0.000 0.452 134 L N 0.573 121.890 121.223 0.156 0.000 2.017 134 L HA 0.104 4.444 4.340 0.001 0.000 0.208 134 L C 2.782 179.772 176.870 0.201 0.000 1.073 134 L CA 2.452 57.402 54.840 0.184 0.000 0.745 134 L CB -0.885 41.310 42.059 0.226 0.000 0.894 134 L HN 0.343 nan 8.230 nan 0.000 0.432 135 A N -1.035 121.914 122.820 0.215 0.000 1.883 135 A HA -0.264 4.057 4.320 0.001 0.000 0.217 135 A C 2.412 180.062 177.584 0.109 0.000 1.186 135 A CA 2.032 54.093 52.037 0.040 0.000 0.624 135 A CB -1.538 17.393 19.000 -0.115 0.000 0.822 135 A HN 0.652 nan 8.150 nan 0.000 0.444 136 C N -1.273 118.073 119.300 0.077 0.000 2.413 136 C HA -0.097 4.364 4.460 0.001 0.000 0.278 136 C C 3.305 178.319 174.990 0.039 0.000 1.224 136 C CA 1.452 60.492 59.018 0.037 0.000 1.732 136 C CB -1.283 26.477 27.740 0.032 0.000 2.050 136 C HN 0.712 nan 8.230 nan 0.000 0.463 137 S N 0.276 116.012 115.700 0.059 0.000 2.374 137 S HA -0.203 4.268 4.470 0.001 0.000 0.227 137 S C 1.778 176.419 174.600 0.068 0.000 1.037 137 S CA 1.775 60.009 58.200 0.056 0.000 1.024 137 S CB -0.408 62.830 63.200 0.063 0.000 0.861 137 S HN 0.424 nan 8.310 nan 0.000 0.456 138 L N 1.412 122.699 121.223 0.106 0.000 2.027 138 L HA 0.160 4.501 4.340 0.001 0.000 0.206 138 L C 2.171 179.126 176.870 0.143 0.000 1.074 138 L CA 1.651 56.580 54.840 0.147 0.000 0.745 138 L CB -0.769 41.411 42.059 0.201 0.000 0.898 138 L HN 0.440 nan 8.230 nan 0.000 0.433 139 I N -0.896 119.735 120.570 0.100 0.000 2.252 139 I HA -0.228 3.943 4.170 0.001 0.000 0.245 139 I C 2.382 178.420 176.117 -0.131 0.000 1.102 139 I CA 1.105 62.349 61.300 -0.093 0.000 1.385 139 I CB -0.346 37.513 38.000 -0.236 0.000 1.064 139 I HN 0.261 nan 8.210 nan 0.000 0.414 140 E N 1.021 121.179 120.200 -0.070 0.000 2.160 140 E HA -0.238 4.113 4.350 0.001 0.000 0.195 140 E C 2.182 178.775 176.600 -0.011 0.000 0.991 140 E CA 1.756 58.124 56.400 -0.054 0.000 0.810 140 E CB -0.215 29.470 29.700 -0.025 0.000 0.742 140 E HN 0.327 nan 8.360 nan 0.000 0.466 141 S N -0.849 114.863 115.700 0.019 0.000 2.348 141 S HA -0.108 4.363 4.470 0.001 0.000 0.221 141 S C 1.946 176.587 174.600 0.069 0.000 1.033 141 S CA 1.350 59.578 58.200 0.046 0.000 1.010 141 S CB -0.387 62.850 63.200 0.062 0.000 0.891 141 S HN 0.359 nan 8.310 nan 0.000 0.442 142 L N 1.446 122.724 121.223 0.092 0.000 1.994 142 L HA -0.060 4.281 4.340 0.001 0.000 0.208 142 L C 2.801 179.839 176.870 0.280 0.000 1.071 142 L CA 1.726 56.678 54.840 0.187 0.000 0.745 142 L CB -0.728 41.473 42.059 0.236 0.000 0.892 142 L HN 0.361 nan 8.230 nan 0.000 0.431 143 R N 0.422 120.994 120.500 0.119 0.000 2.261 143 R HA -0.251 4.089 4.340 0.001 0.000 0.252 143 R C -0.625 175.888 176.300 0.354 0.000 1.116 143 R CA 2.830 59.014 56.100 0.140 0.000 0.942 143 R CB -1.631 28.619 30.300 -0.083 0.000 0.932 143 R HN 0.289 nan 8.270 nan 0.000 0.441 144 P HA -0.101 nan 4.420 nan 0.000 0.226 144 P C 0.526 177.862 177.300 0.060 0.000 1.153 144 P CA 1.266 64.436 63.100 0.117 0.000 0.777 144 P CB -0.063 31.672 31.700 0.058 0.000 0.794 145 Q N -0.453 119.379 119.800 0.052 0.000 2.224 145 Q HA 0.034 4.375 4.340 0.001 0.000 0.203 145 Q C 1.524 177.312 176.000 -0.353 0.000 0.970 145 Q CA 0.982 56.727 55.803 -0.096 0.000 0.865 145 Q CB -0.589 28.113 28.738 -0.059 0.000 0.922 145 Q HN 0.280 nan 8.270 nan 0.000 0.445 146 G N 1.421 109.833 108.800 -0.647 0.000 2.168 146 G HA2 -0.325 3.636 3.960 0.001 0.000 0.257 146 G HA3 -0.325 3.636 3.960 0.001 0.000 0.257 146 G C -0.113 173.756 174.900 -1.718 0.000 0.997 146 G CA 0.880 45.132 45.100 -1.413 0.000 0.708 146 G HN 0.470 nan 8.290 nan 0.000 0.520 147 Q N -2.147 116.636 119.800 -1.695 0.000 2.776 147 Q HA 0.585 4.925 4.340 0.001 0.000 0.289 147 Q C -0.488 175.294 176.000 -0.364 0.000 0.912 147 Q CA -0.732 54.517 55.803 -0.923 0.000 0.789 147 Q CB 1.366 29.855 28.738 -0.414 0.000 1.498 147 Q HN 1.636 nan 8.270 nan 0.000 0.408 148 C N 0.033 119.347 119.300 0.022 0.000 3.275 148 C HA 0.585 5.046 4.460 0.001 0.000 0.345 148 C C -1.735 173.386 174.990 0.218 0.000 1.257 148 C CA -0.765 58.380 59.018 0.211 0.000 1.203 148 C CB 1.402 29.424 27.740 0.470 0.000 1.492 148 C HN 0.894 nan 8.230 nan 0.000 0.484 149 N N 1.761 120.567 118.700 0.178 0.000 2.801 149 N HA 0.238 4.978 4.740 0.001 0.000 0.235 149 N C 0.440 176.057 175.510 0.178 0.000 1.069 149 N CA -0.258 52.882 53.050 0.150 0.000 0.946 149 N CB 0.758 39.298 38.487 0.089 0.000 1.212 149 N HN 0.750 nan 8.380 nan 0.000 0.509 150 F N 3.010 123.006 119.950 0.078 0.000 2.045 150 F HA -0.349 4.178 4.527 0.001 0.000 0.297 150 F C 2.701 178.530 175.800 0.047 0.000 1.114 150 F CA 2.385 60.411 58.000 0.043 0.000 1.207 150 F CB -0.581 38.368 39.000 -0.085 0.000 0.964 150 F HN 0.437 nan 8.300 nan 0.000 0.486 151 T N -1.122 113.444 114.554 0.020 0.000 2.653 151 T HA -0.328 4.022 4.350 0.001 0.000 0.268 151 T C 1.613 176.238 174.700 -0.125 0.000 1.035 151 T CA 1.981 64.032 62.100 -0.082 0.000 1.154 151 T CB -0.974 67.889 68.868 -0.008 0.000 0.862 151 T HN 0.711 nan 8.240 nan 0.000 0.441 152 E N 0.422 120.588 120.200 -0.056 0.000 2.340 152 E HA 0.026 4.376 4.350 0.001 0.000 0.194 152 E C 1.280 177.862 176.600 -0.029 0.000 0.996 152 E CA 0.599 56.978 56.400 -0.036 0.000 0.869 152 E CB 0.001 29.703 29.700 0.002 0.000 0.835 152 E HN 0.427 nan 8.360 nan 0.000 0.493 153 D N -0.661 119.729 120.400 -0.016 0.000 2.333 153 D HA 0.012 4.652 4.640 0.001 0.000 0.208 153 D C 0.590 176.931 176.300 0.068 0.000 0.984 153 D CA 0.706 54.737 54.000 0.052 0.000 0.873 153 D CB 0.300 41.185 40.800 0.142 0.000 0.935 153 D HN 0.282 nan 8.370 nan 0.000 0.521 154 Y N -0.268 119.860 120.300 -0.287 0.000 3.032 154 Y HA 0.313 4.863 4.550 0.001 0.000 0.232 154 Y C 1.918 177.593 175.900 -0.375 0.000 1.099 154 Y CA 0.593 58.505 58.100 -0.313 0.000 1.328 154 Y CB -0.231 38.007 38.460 -0.370 0.000 1.432 154 Y HN -0.157 nan 8.280 nan 0.000 0.433 155 A N 0.982 123.430 122.820 -0.621 0.000 1.958 155 A HA -0.234 4.087 4.320 0.001 0.000 0.221 155 A C 1.771 179.257 177.584 -0.164 0.000 1.178 155 A CA 2.539 54.369 52.037 -0.345 0.000 0.642 155 A CB -0.548 18.241 19.000 -0.352 0.000 0.816 155 A HN 0.718 nan 8.150 nan 0.000 0.453 156 E N -1.177 118.921 120.200 -0.169 0.000 2.065 156 E HA -0.045 4.306 4.350 0.001 0.000 0.191 156 E C -0.588 175.958 176.600 -0.089 0.000 0.960 156 E CA 0.355 56.695 56.400 -0.100 0.000 0.824 156 E CB -0.490 29.167 29.700 -0.073 0.000 0.793 156 E HN 0.467 nan 8.360 nan 0.000 0.459 157 P HA -0.215 nan 4.420 nan 0.000 0.216 157 P C 1.424 178.688 177.300 -0.060 0.000 1.153 157 P CA 1.211 64.278 63.100 -0.055 0.000 0.858 157 P CB -0.102 31.579 31.700 -0.032 0.000 0.789 158 F N 2.444 122.187 119.950 -0.345 0.000 2.010 158 F HA -0.100 4.428 4.527 0.001 0.000 0.296 158 F C -0.788 174.906 175.800 -0.176 0.000 1.146 158 F CA 1.774 59.546 58.000 -0.379 0.000 1.181 158 F CB -2.080 36.418 39.000 -0.837 0.000 0.965 158 F HN -0.020 nan 8.300 nan 0.000 0.480 159 P HA -0.130 nan 4.420 nan 0.000 0.216 159 P C 2.183 179.379 177.300 -0.173 0.000 1.153 159 P CA 2.013 64.888 63.100 -0.375 0.000 0.848 159 P CB -0.076 31.526 31.700 -0.164 0.000 0.787 160 I N -0.813 119.700 120.570 -0.095 0.000 2.179 160 I HA -0.257 3.914 4.170 0.001 0.000 0.242 160 I C 2.532 178.673 176.117 0.041 0.000 1.088 160 I CA 1.552 62.852 61.300 0.001 0.000 1.357 160 I CB -0.427 37.566 38.000 -0.012 0.000 1.051 160 I HN -0.131 nan 8.210 nan 0.000 0.409 161 R N 0.640 121.128 120.500 -0.020 0.000 2.081 161 R HA -0.137 4.203 4.340 0.001 0.000 0.235 161 R C 2.318 178.601 176.300 -0.030 0.000 1.131 161 R CA 1.441 57.534 56.100 -0.011 0.000 0.960 161 R CB -0.418 29.875 30.300 -0.011 0.000 0.856 161 R HN 0.356 nan 8.270 nan 0.000 0.436 162 I N -0.037 120.481 120.570 -0.085 0.000 2.226 162 I HA -0.296 3.874 4.170 0.001 0.000 0.245 162 I C 2.237 178.325 176.117 -0.048 0.000 1.100 162 I CA 1.272 62.514 61.300 -0.097 0.000 1.374 162 I CB -0.303 37.574 38.000 -0.206 0.000 1.057 162 I HN 0.083 nan 8.210 nan 0.000 0.413 163 F N 1.321 121.202 119.950 -0.115 0.000 2.134 163 F HA -0.236 4.291 4.527 0.001 0.000 0.299 163 F C 2.474 178.246 175.800 -0.047 0.000 1.097 163 F CA 1.578 59.532 58.000 -0.076 0.000 1.264 163 F CB -0.125 38.831 39.000 -0.074 0.000 1.001 163 F HN -0.076 nan 8.300 nan 0.000 0.479 164 M N -0.306 119.263 119.600 -0.051 0.000 2.159 164 M HA -0.132 4.348 4.480 0.001 0.000 0.263 164 M C 2.272 178.480 176.300 -0.153 0.000 1.063 164 M CA 1.230 56.471 55.300 -0.099 0.000 1.110 164 M CB -1.543 31.076 32.600 0.030 0.000 1.374 164 M HN 0.373 nan 8.290 nan 0.000 0.411 165 L N 0.405 121.556 121.223 -0.120 0.000 2.056 165 L HA -0.125 4.215 4.340 0.001 0.000 0.207 165 L C 2.237 179.019 176.870 -0.147 0.000 1.078 165 L CA 1.228 56.009 54.840 -0.099 0.000 0.749 165 L CB -0.755 41.265 42.059 -0.066 0.000 0.901 165 L HN 0.178 nan 8.230 nan 0.000 0.433 166 L N 0.247 121.340 121.223 -0.217 0.000 1.970 166 L HA -0.137 4.203 4.340 0.001 0.000 0.212 166 L C 2.455 179.146 176.870 -0.299 0.000 1.071 166 L CA 2.318 57.008 54.840 -0.250 0.000 0.751 166 L CB -1.137 40.737 42.059 -0.308 0.000 0.889 166 L HN 0.274 nan 8.230 nan 0.000 0.432 167 A N -1.146 121.383 122.820 -0.485 0.000 2.119 167 A HA 0.257 4.578 4.320 0.001 0.000 0.217 167 A C 1.705 179.178 177.584 -0.186 0.000 1.153 167 A CA 0.918 52.726 52.037 -0.382 0.000 0.692 167 A CB -1.057 17.618 19.000 -0.542 0.000 0.799 167 A HN 1.073 nan 8.150 nan 0.000 0.458 168 G N -1.303 107.403 108.800 -0.157 0.000 2.182 168 G HA2 -0.185 3.775 3.960 0.001 0.000 0.248 168 G HA3 -0.185 3.775 3.960 0.001 0.000 0.248 168 G C -0.140 174.735 174.900 -0.041 0.000 1.042 168 G CA 0.296 45.347 45.100 -0.082 0.000 0.775 168 G HN 0.479 nan 8.290 nan 0.000 0.501 169 L N 1.259 122.464 121.223 -0.031 0.000 2.317 169 L HA 0.498 4.839 4.340 0.001 0.000 0.281 169 L C -1.381 175.523 176.870 0.056 0.000 1.024 169 L CA -2.437 52.435 54.840 0.053 0.000 0.810 169 L CB 1.557 43.694 42.059 0.132 0.000 1.240 169 L HN -0.034 nan 8.230 nan 0.000 0.427 170 P HA -0.016 nan 4.420 nan 0.000 0.267 170 P C -0.123 177.219 177.300 0.071 0.000 1.200 170 P CA 0.045 63.181 63.100 0.060 0.000 0.772 170 P CB 0.886 32.623 31.700 0.062 0.000 0.855 171 E N 1.223 121.452 120.200 0.049 0.000 2.347 171 E HA -0.159 4.192 4.350 0.001 0.000 0.196 171 E C 1.286 177.918 176.600 0.053 0.000 1.008 171 E CA 0.853 57.281 56.400 0.047 0.000 0.852 171 E CB 0.032 29.751 29.700 0.032 0.000 0.783 171 E HN 0.525 nan 8.360 nan 0.000 0.505 172 E N 0.972 121.205 120.200 0.055 0.000 2.204 172 E HA -0.168 4.182 4.350 0.001 0.000 0.195 172 E C 1.138 177.781 176.600 0.072 0.000 0.990 172 E CA 0.962 57.394 56.400 0.054 0.000 0.821 172 E CB -0.031 29.697 29.700 0.047 0.000 0.750 172 E HN 0.195 nan 8.360 nan 0.000 0.477 173 D N -0.094 120.366 120.400 0.100 0.000 2.363 173 D HA 0.016 4.656 4.640 0.001 0.000 0.226 173 D C 1.621 177.967 176.300 0.077 0.000 1.020 173 D CA 0.169 54.242 54.000 0.122 0.000 0.892 173 D CB -0.003 40.915 40.800 0.197 0.000 0.900 173 D HN 0.244 nan 8.370 nan 0.000 0.531 174 I N 1.501 122.107 120.570 0.060 0.000 2.118 174 I HA -0.248 3.922 4.170 0.001 0.000 0.241 174 I C -0.540 175.597 176.117 0.033 0.000 1.070 174 I CA 1.461 62.783 61.300 0.037 0.000 1.327 174 I CB -1.363 36.658 38.000 0.034 0.000 1.034 174 I HN 0.014 nan 8.210 nan 0.000 0.405 175 P HA -0.195 nan 4.420 nan 0.000 0.215 175 P C 1.411 178.763 177.300 0.087 0.000 1.153 175 P CA 1.602 64.738 63.100 0.060 0.000 0.853 175 P CB -0.067 31.665 31.700 0.053 0.000 0.788 176 H N -0.010 119.063 119.070 0.004 0.000 2.253 176 H HA -0.091 4.466 4.556 0.001 0.000 0.299 176 H C 1.811 177.131 175.328 -0.013 0.000 1.064 176 H CA 1.715 57.766 56.048 0.006 0.000 1.264 176 H CB -1.137 28.618 29.762 -0.012 0.000 1.371 176 H HN -0.100 nan 8.280 nan 0.000 0.493 177 L N -0.061 121.036 121.223 -0.210 0.000 2.081 177 L HA -0.207 4.134 4.340 0.001 0.000 0.212 177 L C 2.597 179.345 176.870 -0.202 0.000 1.080 177 L CA 1.798 56.451 54.840 -0.313 0.000 0.754 177 L CB -0.568 41.331 42.059 -0.266 0.000 0.893 177 L HN 0.272 nan 8.230 nan 0.000 0.433 178 K N 0.115 120.454 120.400 -0.102 0.000 2.002 178 K HA -0.257 4.064 4.320 0.001 0.000 0.209 178 K C 2.163 178.729 176.600 -0.057 0.000 1.048 178 K CA 1.691 57.937 56.287 -0.068 0.000 0.930 178 K CB -0.769 31.720 32.500 -0.019 0.000 0.714 178 K HN 0.209 nan 8.250 nan 0.000 0.438 179 Y N 1.058 121.284 120.300 -0.123 0.000 2.070 179 Y HA -0.219 4.332 4.550 0.001 0.000 0.280 179 Y C 1.776 177.597 175.900 -0.131 0.000 1.148 179 Y CA 2.229 60.266 58.100 -0.105 0.000 1.125 179 Y CB -0.474 37.933 38.460 -0.088 0.000 0.975 179 Y HN 0.064 nan 8.280 nan 0.000 0.492 180 L N -0.743 120.349 121.223 -0.217 0.000 1.990 180 L HA -0.331 4.009 4.340 0.001 0.000 0.213 180 L C 2.381 179.079 176.870 -0.287 0.000 1.072 180 L CA 2.150 56.811 54.840 -0.299 0.000 0.755 180 L CB -1.184 40.704 42.059 -0.286 0.000 0.889 180 L HN 0.259 nan 8.230 nan 0.000 0.432 181 T N -0.960 113.464 114.554 -0.216 0.000 2.720 181 T HA -0.203 4.148 4.350 0.001 0.000 0.268 181 T C 1.448 176.083 174.700 -0.107 0.000 1.037 181 T CA 1.600 63.619 62.100 -0.135 0.000 1.144 181 T CB -0.304 68.490 68.868 -0.123 0.000 0.864 181 T HN 0.347 nan 8.240 nan 0.000 0.444 182 D N 0.904 121.203 120.400 -0.168 0.000 2.218 182 D HA -0.065 4.575 4.640 0.001 0.000 0.204 182 D C 2.315 178.518 176.300 -0.162 0.000 0.976 182 D CA 0.733 54.647 54.000 -0.143 0.000 0.853 182 D CB -0.170 40.526 40.800 -0.172 0.000 0.939 182 D HN 0.299 nan 8.370 nan 0.000 0.481 183 Q N -0.332 119.297 119.800 -0.285 0.000 2.297 183 Q HA 0.049 4.390 4.340 0.001 0.000 0.204 183 Q C 2.122 178.091 176.000 -0.053 0.000 0.962 183 Q CA 0.482 56.142 55.803 -0.238 0.000 0.879 183 Q CB -0.133 28.395 28.738 -0.349 0.000 0.947 183 Q HN 0.461 nan 8.270 nan 0.000 0.462 184 M N -0.397 119.213 119.600 0.016 0.000 2.388 184 M HA -0.054 4.427 4.480 0.001 0.000 0.265 184 M C 1.980 178.545 176.300 0.441 0.000 1.088 184 M CA 1.604 57.096 55.300 0.320 0.000 1.134 184 M CB -0.123 32.654 32.600 0.295 0.000 1.384 184 M HN 0.221 nan 8.290 nan 0.000 0.447 185 T N -1.562 113.133 114.554 0.236 0.000 3.004 185 T HA 0.122 4.473 4.350 0.001 0.000 0.243 185 T C 1.045 175.869 174.700 0.207 0.000 1.020 185 T CA 0.065 62.283 62.100 0.197 0.000 1.145 185 T CB 0.064 69.009 68.868 0.128 0.000 0.876 185 T HN 0.245 nan 8.240 nan 0.000 0.449 186 R N 2.235 122.807 120.500 0.120 0.000 2.513 186 R HA 0.386 4.727 4.340 0.001 0.000 0.283 186 R C -3.160 173.133 176.300 -0.012 0.000 1.535 186 R CA -1.863 54.301 56.100 0.105 0.000 1.315 186 R CB 1.546 31.906 30.300 0.099 0.000 1.163 186 R HN 0.289 nan 8.270 nan 0.000 0.573 187 P HA -0.020 nan 4.420 nan 0.000 0.266 187 P C -0.079 177.164 177.300 -0.096 0.000 1.215 187 P CA 0.015 63.042 63.100 -0.122 0.000 0.763 187 P CB 0.689 32.282 31.700 -0.179 0.000 0.806 188 D N 2.540 122.900 120.400 -0.067 0.000 2.371 188 D HA -0.009 4.632 4.640 0.001 0.000 0.221 188 D C 1.461 177.753 176.300 -0.014 0.000 0.986 188 D CA 0.965 54.955 54.000 -0.016 0.000 0.899 188 D CB -0.446 40.375 40.800 0.035 0.000 0.902 188 D HN 0.521 nan 8.370 nan 0.000 0.530 189 G N -0.188 108.590 108.800 -0.036 0.000 2.259 189 G HA2 -0.365 3.595 3.960 0.001 0.000 0.217 189 G HA3 -0.365 3.595 3.960 0.001 0.000 0.217 189 G C 1.342 176.241 174.900 -0.002 0.000 1.001 189 G CA 0.829 45.912 45.100 -0.028 0.000 0.627 189 G HN 0.652 nan 8.290 nan 0.000 0.501 190 S N 0.425 116.140 115.700 0.025 0.000 2.359 190 S HA 0.146 4.616 4.470 0.001 0.000 0.224 190 S C 1.378 176.000 174.600 0.037 0.000 1.035 190 S CA 1.866 60.096 58.200 0.050 0.000 1.018 190 S CB -0.415 62.853 63.200 0.113 0.000 0.876 190 S HN 1.563 nan 8.310 nan 0.000 0.448 191 M N 0.835 120.447 119.600 0.021 0.000 2.619 191 M HA 0.605 5.085 4.480 0.001 0.000 0.297 191 M C -0.304 175.988 176.300 -0.014 0.000 1.229 191 M CA -0.903 54.400 55.300 0.005 0.000 0.860 191 M CB 1.812 34.419 32.600 0.011 0.000 1.741 191 M HN 0.143 nan 8.290 nan 0.000 0.462 192 T N -1.344 113.208 114.554 -0.003 0.000 2.754 192 T HA 0.287 4.638 4.350 0.001 0.000 0.286 192 T C 0.560 175.275 174.700 0.026 0.000 0.997 192 T CA -0.371 61.743 62.100 0.024 0.000 0.982 192 T CB 0.869 69.760 68.868 0.039 0.000 1.027 192 T HN 0.661 nan 8.240 nan 0.000 0.529 193 F N 1.349 121.274 119.950 -0.041 0.000 2.102 193 F HA 0.073 4.601 4.527 0.001 0.000 0.298 193 F C 2.659 178.404 175.800 -0.093 0.000 1.105 193 F CA 1.815 59.787 58.000 -0.048 0.000 1.239 193 F CB -1.065 37.934 39.000 -0.001 0.000 0.991 193 F HN 0.751 nan 8.300 nan 0.000 0.474 194 A N 0.298 123.154 122.820 0.060 0.000 1.884 194 A HA -0.309 4.012 4.320 0.001 0.000 0.219 194 A C 2.081 179.570 177.584 -0.158 0.000 1.197 194 A CA 2.327 54.337 52.037 -0.045 0.000 0.637 194 A CB -1.166 17.856 19.000 0.037 0.000 0.827 194 A HN 0.589 nan 8.150 nan 0.000 0.450 195 E N -0.485 119.654 120.200 -0.101 0.000 2.085 195 E HA -0.103 4.248 4.350 0.001 0.000 0.194 195 E C 2.349 178.861 176.600 -0.147 0.000 0.994 195 E CA 1.089 57.437 56.400 -0.086 0.000 0.801 195 E CB -0.337 29.341 29.700 -0.037 0.000 0.743 195 E HN 0.641 nan 8.360 nan 0.000 0.453 196 A N 1.709 124.391 122.820 -0.230 0.000 1.877 196 A HA -0.266 4.055 4.320 0.001 0.000 0.216 196 A C 2.084 179.449 177.584 -0.365 0.000 1.186 196 A CA 1.767 53.636 52.037 -0.281 0.000 0.620 196 A CB -0.464 18.323 19.000 -0.354 0.000 0.822 196 A HN 0.088 nan 8.150 nan 0.000 0.443 197 K N -0.673 119.376 120.400 -0.584 0.000 2.009 197 K HA -0.221 4.100 4.320 0.001 0.000 0.210 197 K C 1.914 178.210 176.600 -0.507 0.000 1.049 197 K CA 1.704 57.593 56.287 -0.663 0.000 0.929 197 K CB -0.202 31.783 32.500 -0.859 0.000 0.714 197 K HN 0.352 nan 8.250 nan 0.000 0.440 198 E N 0.322 120.350 120.200 -0.287 0.000 2.097 198 E HA -0.201 4.149 4.350 0.001 0.000 0.196 198 E C 1.891 178.499 176.600 0.013 0.000 1.000 198 E CA 1.317 57.679 56.400 -0.064 0.000 0.804 198 E CB -0.340 29.355 29.700 -0.009 0.000 0.740 198 E HN 0.461 nan 8.360 nan 0.000 0.454 199 A N 1.122 123.924 122.820 -0.029 0.000 1.877 199 A HA -0.154 4.167 4.320 0.001 0.000 0.216 199 A C 2.188 179.834 177.584 0.103 0.000 1.186 199 A CA 1.058 53.127 52.037 0.053 0.000 0.620 199 A CB -0.436 18.581 19.000 0.028 0.000 0.822 199 A HN 0.155 nan 8.150 nan 0.000 0.443 200 L N -1.391 119.830 121.223 -0.005 0.000 2.083 200 L HA -0.153 4.188 4.340 0.001 0.000 0.209 200 L C 2.495 179.511 176.870 0.244 0.000 1.083 200 L CA 1.664 56.532 54.840 0.047 0.000 0.752 200 L CB -1.828 40.179 42.059 -0.087 0.000 0.899 200 L HN 0.452 nan 8.230 nan 0.000 0.433 201 Y N 0.274 120.626 120.300 0.088 0.000 2.224 201 Y HA -0.232 4.318 4.550 0.001 0.000 0.289 201 Y C 2.580 178.536 175.900 0.093 0.000 1.146 201 Y CA 1.072 59.221 58.100 0.082 0.000 1.182 201 Y CB -0.832 37.664 38.460 0.060 0.000 0.983 201 Y HN 0.338 nan 8.280 nan 0.000 0.524 202 D N -1.282 119.284 120.400 0.276 0.000 2.219 202 D HA -0.234 4.407 4.640 0.001 0.000 0.205 202 D C 2.100 178.511 176.300 0.186 0.000 0.970 202 D CA 0.871 54.982 54.000 0.185 0.000 0.851 202 D CB -0.300 40.595 40.800 0.157 0.000 0.943 202 D HN 0.345 nan 8.370 nan 0.000 0.488 203 Y N 0.510 120.888 120.300 0.129 0.000 2.184 203 Y HA -0.005 4.545 4.550 0.001 0.000 0.290 203 Y C 1.849 177.799 175.900 0.083 0.000 1.129 203 Y CA 1.356 59.525 58.100 0.114 0.000 1.144 203 Y CB -0.197 38.366 38.460 0.171 0.000 0.995 203 Y HN -0.027 nan 8.280 nan 0.000 0.513 204 L N -0.216 121.174 121.223 0.277 0.000 2.005 204 L HA -0.214 4.127 4.340 0.001 0.000 0.207 204 L C 2.429 179.306 176.870 0.012 0.000 1.072 204 L CA 1.551 56.478 54.840 0.145 0.000 0.744 204 L CB -0.828 41.354 42.059 0.205 0.000 0.895 204 L HN 0.233 nan 8.230 nan 0.000 0.433 205 I N -0.021 120.562 120.570 0.022 0.000 2.121 205 I HA -0.306 3.864 4.170 0.001 0.000 0.243 205 I C -0.284 175.806 176.117 -0.044 0.000 1.047 205 I CA 1.967 63.254 61.300 -0.022 0.000 1.308 205 I CB -1.611 36.382 38.000 -0.012 0.000 1.015 205 I HN 0.239 nan 8.210 nan 0.000 0.410 206 P HA -0.132 nan 4.420 nan 0.000 0.216 206 P C 1.891 179.135 177.300 -0.093 0.000 1.153 206 P CA 1.523 64.576 63.100 -0.078 0.000 0.848 206 P CB -0.017 31.624 31.700 -0.099 0.000 0.787 207 I N -1.240 119.251 120.570 -0.131 0.000 2.226 207 I HA -0.231 3.939 4.170 0.001 0.000 0.245 207 I C 2.274 178.350 176.117 -0.067 0.000 1.100 207 I CA 1.457 62.685 61.300 -0.120 0.000 1.374 207 I CB -0.540 37.361 38.000 -0.164 0.000 1.057 207 I HN -0.102 nan 8.210 nan 0.000 0.413 208 I N 0.413 120.953 120.570 -0.050 0.000 2.226 208 I HA -0.256 3.915 4.170 0.001 0.000 0.245 208 I C 2.609 178.705 176.117 -0.035 0.000 1.100 208 I CA 1.227 62.506 61.300 -0.035 0.000 1.374 208 I CB -0.407 37.574 38.000 -0.031 0.000 1.057 208 I HN 0.240 nan 8.210 nan 0.000 0.413 209 E N 0.746 120.923 120.200 -0.039 0.000 2.070 209 E HA -0.285 4.065 4.350 0.001 0.000 0.197 209 E C 2.151 178.730 176.600 -0.034 0.000 1.004 209 E CA 1.559 57.938 56.400 -0.035 0.000 0.805 209 E CB -0.359 29.320 29.700 -0.036 0.000 0.744 209 E HN 0.634 nan 8.360 nan 0.000 0.451 210 Q N 0.194 119.970 119.800 -0.040 0.000 2.020 210 Q HA -0.122 4.219 4.340 0.001 0.000 0.202 210 Q C 2.329 178.309 176.000 -0.033 0.000 0.982 210 Q CA 1.221 57.002 55.803 -0.038 0.000 0.838 210 Q CB -0.193 28.517 28.738 -0.046 0.000 0.899 210 Q HN 0.033 nan 8.270 nan 0.000 0.423 211 R N 0.489 120.968 120.500 -0.035 0.000 2.120 211 R HA -0.057 4.284 4.340 0.001 0.000 0.234 211 R C 2.134 178.418 176.300 -0.026 0.000 1.123 211 R CA 0.983 57.065 56.100 -0.030 0.000 0.975 211 R CB -0.135 30.146 30.300 -0.031 0.000 0.866 211 R HN 0.122 nan 8.270 nan 0.000 0.446 212 R N 0.534 121.020 120.500 -0.025 0.000 2.139 212 R HA -0.217 4.123 4.340 0.001 0.000 0.243 212 R C 1.605 177.893 176.300 -0.020 0.000 1.145 212 R CA 1.741 57.828 56.100 -0.021 0.000 0.976 212 R CB 0.009 30.297 30.300 -0.020 0.000 0.866 212 R HN 0.388 nan 8.270 nan 0.000 0.449 213 Q N 0.583 120.371 119.800 -0.021 0.000 1.723 213 Q HA -0.155 4.185 4.340 0.001 0.000 0.363 213 Q C 0.090 176.078 176.000 -0.019 0.000 0.987 213 Q CA 1.486 57.278 55.803 -0.019 0.000 0.896 213 Q CB -0.236 28.490 28.738 -0.020 0.000 0.941 213 Q HN 0.130 nan 8.270 nan 0.000 0.410 214 K N 1.166 121.555 120.400 -0.019 0.000 2.168 214 K HA 0.190 4.510 4.320 0.001 0.000 0.258 214 K C -2.286 174.302 176.600 -0.020 0.000 1.010 214 K CA -1.313 54.963 56.287 -0.019 0.000 0.929 214 K CB -0.549 31.940 32.500 -0.019 0.000 0.998 214 K HN -0.080 nan 8.250 nan 0.000 0.479 215 P HA 0.098 nan 4.420 nan 0.000 0.317 215 P C -0.473 176.814 177.300 -0.023 0.000 1.427 215 P CA 0.118 63.205 63.100 -0.021 0.000 0.820 215 P CB 0.012 31.700 31.700 -0.020 0.000 1.894 216 G N -3.445 105.341 108.800 -0.023 0.000 2.397 216 G HA2 0.177 4.137 3.960 0.001 0.000 0.453 216 G HA3 0.177 4.137 3.960 0.001 0.000 0.453 216 G C 0.369 175.252 174.900 -0.028 0.000 1.579 216 G CA 0.047 45.131 45.100 -0.026 0.000 0.906 216 G HN 0.462 nan 8.290 nan 0.000 0.675 217 T N -1.614 112.922 114.554 -0.030 0.000 3.023 217 T HA 0.109 4.459 4.350 0.001 0.000 0.266 217 T C 0.927 175.602 174.700 -0.042 0.000 1.093 217 T CA 1.429 63.509 62.100 -0.033 0.000 1.129 217 T CB -0.321 68.528 68.868 -0.031 0.000 0.899 217 T HN 0.864 nan 8.240 nan 0.000 0.491 218 D N 1.345 121.716 120.400 -0.048 0.000 2.368 218 D HA 0.265 4.906 4.640 0.001 0.000 0.240 218 D C 1.501 177.762 176.300 -0.064 0.000 1.169 218 D CA 0.232 54.192 54.000 -0.067 0.000 0.906 218 D CB 1.381 42.139 40.800 -0.069 0.000 1.187 218 D HN 0.191 nan 8.370 nan 0.000 0.435 219 A N 2.230 124.997 122.820 -0.089 0.000 1.892 219 A HA -0.207 4.113 4.320 0.001 0.000 0.218 219 A C 2.392 179.951 177.584 -0.041 0.000 1.188 219 A CA 1.466 53.461 52.037 -0.070 0.000 0.631 219 A CB -0.818 18.118 19.000 -0.107 0.000 0.822 219 A HN 0.717 nan 8.150 nan 0.000 0.447 220 I N -0.413 120.130 120.570 -0.044 0.000 2.208 220 I HA -0.249 3.921 4.170 0.001 0.000 0.245 220 I C 2.721 178.826 176.117 -0.020 0.000 1.097 220 I CA 1.492 62.780 61.300 -0.021 0.000 1.363 220 I CB -0.430 37.560 38.000 -0.015 0.000 1.051 220 I HN 0.263 nan 8.210 nan 0.000 0.413 221 S N 0.934 116.617 115.700 -0.028 0.000 2.343 221 S HA -0.114 4.356 4.470 0.001 0.000 0.219 221 S C 2.044 176.631 174.600 -0.021 0.000 1.033 221 S CA 1.098 59.283 58.200 -0.025 0.000 1.014 221 S CB -0.179 63.004 63.200 -0.029 0.000 0.915 221 S HN 0.253 nan 8.310 nan 0.000 0.435 222 I N 1.720 122.276 120.570 -0.023 0.000 2.113 222 I HA -0.180 3.990 4.170 0.001 0.000 0.242 222 I C 2.316 178.426 176.117 -0.011 0.000 1.064 222 I CA 1.427 62.716 61.300 -0.019 0.000 1.320 222 I CB -1.730 36.258 38.000 -0.019 0.000 1.028 222 I HN 0.168 nan 8.210 nan 0.000 0.406 223 V N 1.301 121.213 119.914 -0.003 0.000 2.307 223 V HA -0.213 3.907 4.120 0.001 0.000 0.245 223 V C 2.857 178.956 176.094 0.009 0.000 1.045 223 V CA 1.779 64.086 62.300 0.012 0.000 1.024 223 V CB -1.232 30.606 31.823 0.025 0.000 0.651 223 V HN 0.480 nan 8.190 nan 0.000 0.449 224 A N 0.594 123.414 122.820 -0.001 0.000 1.972 224 A HA -0.209 4.112 4.320 0.001 0.000 0.219 224 A C 1.772 179.350 177.584 -0.009 0.000 1.169 224 A CA 2.208 54.242 52.037 -0.006 0.000 0.635 224 A CB -0.673 18.319 19.000 -0.014 0.000 0.810 224 A HN 0.661 nan 8.150 nan 0.000 0.446 225 N N -0.321 118.371 118.700 -0.013 0.000 2.276 225 N HA 0.301 5.041 4.740 0.001 0.000 0.212 225 N C 0.680 176.177 175.510 -0.021 0.000 1.127 225 N CA 0.483 53.523 53.050 -0.018 0.000 0.834 225 N CB 0.458 38.933 38.487 -0.020 0.000 1.014 225 N HN 0.434 nan 8.380 nan 0.000 0.491 226 G N -0.152 108.636 108.800 -0.020 0.000 2.599 226 G HA2 0.286 4.247 3.960 0.001 0.000 0.264 226 G HA3 0.286 4.247 3.960 0.001 0.000 0.264 226 G C -0.413 174.458 174.900 -0.048 0.000 1.200 226 G CA -0.316 44.764 45.100 -0.033 0.000 0.896 226 G HN 0.036 nan 8.290 nan 0.000 0.536 227 Q N 0.009 119.763 119.800 -0.077 0.000 2.294 227 Q HA 0.350 4.690 4.340 0.001 0.000 0.264 227 Q C -0.359 175.544 176.000 -0.162 0.000 0.992 227 Q CA -0.575 55.172 55.803 -0.094 0.000 0.747 227 Q CB 1.818 30.513 28.738 -0.071 0.000 1.262 227 Q HN 0.522 nan 8.270 nan 0.000 0.452 228 V N -0.690 119.085 119.914 -0.232 0.000 2.966 228 V HA 0.414 4.534 4.120 0.001 0.000 0.317 228 V C 0.610 176.559 176.094 -0.241 0.000 1.070 228 V CA -1.159 60.905 62.300 -0.392 0.000 1.008 228 V CB 1.025 32.333 31.823 -0.859 0.000 1.070 228 V HN 0.848 nan 8.190 nan 0.000 0.457 229 N N 1.893 120.454 118.700 -0.233 0.000 2.998 229 N HA -0.076 4.665 4.740 0.001 0.000 0.310 229 N C 0.869 176.335 175.510 -0.073 0.000 1.111 229 N CA 1.094 54.075 53.050 -0.115 0.000 0.815 229 N CB -0.699 37.746 38.487 -0.071 0.000 0.986 229 N HN 1.520 nan 8.380 nan 0.000 0.616 230 G N 2.056 110.817 108.800 -0.065 0.000 2.498 230 G HA2 -0.369 3.591 3.960 0.001 0.000 0.251 230 G HA3 -0.369 3.591 3.960 0.001 0.000 0.251 230 G C -0.379 174.495 174.900 -0.042 0.000 1.170 230 G CA 0.179 45.253 45.100 -0.042 0.000 0.944 230 G HN 0.878 nan 8.290 nan 0.000 0.567 231 R N 0.658 121.143 120.500 -0.025 0.000 2.500 231 R HA 0.242 4.582 4.340 0.001 0.000 0.280 231 R C -2.454 173.829 176.300 -0.028 0.000 0.977 231 R CA 0.637 56.725 56.100 -0.019 0.000 1.078 231 R CB -1.565 28.732 30.300 -0.005 0.000 0.869 231 R HN 0.556 nan 8.270 nan 0.000 0.430 232 P HA -0.000 nan 4.420 nan 0.000 0.269 232 P C -0.068 177.226 177.300 -0.009 0.000 1.217 232 P CA -0.162 62.925 63.100 -0.022 0.000 0.783 232 P CB 0.413 32.104 31.700 -0.015 0.000 0.898 233 I N 1.752 122.318 120.570 -0.008 0.000 2.556 233 I HA 0.063 4.233 4.170 0.001 0.000 0.284 233 I C 0.670 176.807 176.117 0.032 0.000 1.114 233 I CA -0.063 61.255 61.300 0.029 0.000 1.418 233 I CB 0.555 38.577 38.000 0.038 0.000 1.394 233 I HN 0.409 nan 8.210 nan 0.000 0.552 234 T N 2.634 117.218 114.554 0.049 0.000 2.788 234 T HA 0.144 4.495 4.350 0.001 0.000 0.287 234 T C 1.118 175.822 174.700 0.008 0.000 1.007 234 T CA -0.365 61.748 62.100 0.023 0.000 1.005 234 T CB 1.421 70.302 68.868 0.023 0.000 1.012 234 T HN 0.683 nan 8.240 nan 0.000 0.530 235 S N 0.552 116.244 115.700 -0.014 0.000 2.368 235 S HA -0.040 4.431 4.470 0.001 0.000 0.225 235 S C 2.459 177.020 174.600 -0.065 0.000 1.030 235 S CA 1.583 59.762 58.200 -0.034 0.000 0.999 235 S CB -1.221 61.956 63.200 -0.038 0.000 0.844 235 S HN 0.946 nan 8.310 nan 0.000 0.459 236 D N 1.046 121.403 120.400 -0.071 0.000 2.123 236 D HA -0.155 4.486 4.640 0.001 0.000 0.196 236 D C 1.790 178.019 176.300 -0.119 0.000 0.992 236 D CA 1.547 55.473 54.000 -0.123 0.000 0.833 236 D CB -0.654 40.094 40.800 -0.088 0.000 0.954 236 D HN 0.624 nan 8.370 nan 0.000 0.455 237 E N -0.251 119.927 120.200 -0.038 0.000 2.051 237 E HA 0.056 4.406 4.350 0.001 0.000 0.192 237 E C 2.690 179.297 176.600 0.012 0.000 0.991 237 E CA 0.897 57.301 56.400 0.007 0.000 0.799 237 E CB -0.148 29.651 29.700 0.165 0.000 0.748 237 E HN 0.499 nan 8.360 nan 0.000 0.449 238 A N 1.646 124.476 122.820 0.017 0.000 1.892 238 A HA -0.319 4.001 4.320 0.001 0.000 0.218 238 A C 2.062 179.624 177.584 -0.038 0.000 1.188 238 A CA 2.029 54.072 52.037 0.010 0.000 0.631 238 A CB -0.537 18.462 19.000 -0.003 0.000 0.822 238 A HN 0.117 nan 8.150 nan 0.000 0.447 239 K N -0.502 119.829 120.400 -0.115 0.000 2.032 239 K HA -0.183 4.138 4.320 0.001 0.000 0.209 239 K C 2.250 178.729 176.600 -0.203 0.000 1.048 239 K CA 1.548 57.702 56.287 -0.221 0.000 0.927 239 K CB -0.213 32.017 32.500 -0.450 0.000 0.712 239 K HN 0.466 nan 8.250 nan 0.000 0.441 240 R N -0.098 120.290 120.500 -0.187 0.000 2.152 240 R HA -0.078 4.262 4.340 0.001 0.000 0.232 240 R C 2.376 178.681 176.300 0.009 0.000 1.117 240 R CA 1.254 57.364 56.100 0.016 0.000 0.981 240 R CB -0.216 30.078 30.300 -0.010 0.000 0.870 240 R HN 0.369 nan 8.270 nan 0.000 0.451 241 M N -0.209 119.384 119.600 -0.010 0.000 2.193 241 M HA -0.133 4.348 4.480 0.001 0.000 0.265 241 M C 2.333 178.618 176.300 -0.025 0.000 1.071 241 M CA 1.295 56.608 55.300 0.022 0.000 1.140 241 M CB -0.110 32.546 32.600 0.093 0.000 1.369 241 M HN 0.237 nan 8.290 nan 0.000 0.423 242 C N 0.002 119.284 119.300 -0.029 0.000 2.429 242 C HA -0.095 4.365 4.460 0.001 0.000 0.277 242 C C 2.767 177.670 174.990 -0.145 0.000 1.262 242 C CA 1.078 60.083 59.018 -0.021 0.000 1.733 242 C CB -1.796 25.961 27.740 0.028 0.000 2.010 242 C HN 0.753 nan 8.230 nan 0.000 0.483 243 G N 0.626 109.234 108.800 -0.320 0.000 2.476 243 G HA2 -0.178 3.783 3.960 0.001 0.000 0.218 243 G HA3 -0.178 3.783 3.960 0.001 0.000 0.218 243 G C 1.824 175.992 174.900 -1.221 0.000 1.164 243 G CA 1.094 45.600 45.100 -0.990 0.000 0.768 243 G HN 0.650 nan 8.290 nan 0.000 0.560 244 A N -0.089 122.263 122.820 -0.779 0.000 2.186 244 A HA 0.153 4.474 4.320 0.001 0.000 0.219 244 A C 2.230 179.779 177.584 -0.058 0.000 1.159 244 A CA 1.080 52.990 52.037 -0.212 0.000 0.680 244 A CB -0.235 18.801 19.000 0.061 0.000 0.787 244 A HN 0.416 nan 8.150 nan 0.000 0.467 245 L N -1.035 120.131 121.223 -0.095 0.000 2.513 245 L HA 0.064 4.404 4.340 0.001 0.000 0.222 245 L C 1.834 178.623 176.870 -0.135 0.000 1.096 245 L CA -0.256 54.595 54.840 0.019 0.000 0.857 245 L CB -0.150 42.030 42.059 0.203 0.000 1.026 245 L HN 0.229 nan 8.230 nan 0.000 0.469 246 L N -0.198 120.913 121.223 -0.187 0.000 2.017 246 L HA -0.154 4.186 4.340 0.001 0.000 0.208 246 L C 2.606 179.312 176.870 -0.272 0.000 1.073 246 L CA 1.583 56.252 54.840 -0.284 0.000 0.745 246 L CB -1.120 40.827 42.059 -0.186 0.000 0.894 246 L HN 0.099 nan 8.230 nan 0.000 0.432 247 V N 0.228 120.094 119.914 -0.079 0.000 2.332 247 V HA -0.206 3.914 4.120 0.001 0.000 0.248 247 V C 2.639 178.688 176.094 -0.075 0.000 1.055 247 V CA 1.872 64.170 62.300 -0.002 0.000 1.038 247 V CB -1.262 30.670 31.823 0.182 0.000 0.651 247 V HN 0.553 nan 8.190 nan 0.000 0.450 248 G N -0.209 108.535 108.800 -0.092 0.000 2.403 248 G HA2 -0.067 3.894 3.960 0.001 0.000 0.216 248 G HA3 -0.067 3.894 3.960 0.001 0.000 0.216 248 G C 1.551 176.319 174.900 -0.220 0.000 1.154 248 G CA 0.766 45.813 45.100 -0.089 0.000 0.784 248 G HN 0.593 nan 8.290 nan 0.000 0.538 249 G N -0.110 108.356 108.800 -0.556 0.000 2.572 249 G HA2 0.185 4.146 3.960 0.001 0.000 0.216 249 G HA3 0.185 4.146 3.960 0.001 0.000 0.216 249 G C 1.364 175.854 174.900 -0.683 0.000 1.133 249 G CA 0.550 45.088 45.100 -0.935 0.000 0.791 249 G HN 0.348 nan 8.290 nan 0.000 0.538 250 L N -0.991 119.928 121.223 -0.507 0.000 2.766 250 L HA 0.399 4.739 4.340 0.001 0.000 0.241 250 L C -0.249 176.531 176.870 -0.150 0.000 1.080 250 L CA 0.324 54.995 54.840 -0.281 0.000 0.909 250 L CB 0.750 42.651 42.059 -0.263 0.000 1.277 250 L HN 0.030 nan 8.230 nan 0.000 0.510 251 D N -0.890 119.437 120.400 -0.121 0.000 2.472 251 D HA 0.460 5.100 4.640 0.001 0.000 0.248 251 D C 0.234 176.534 176.300 -0.000 0.000 1.271 251 D CA 0.789 54.762 54.000 -0.045 0.000 0.888 251 D CB 0.621 41.404 40.800 -0.028 0.000 1.337 251 D HN 0.170 nan 8.370 nan 0.000 0.526 252 T N -2.202 112.366 114.554 0.023 0.000 3.978 252 T HA -0.054 4.296 4.350 0.001 0.000 0.312 252 T C 1.384 176.159 174.700 0.126 0.000 0.873 252 T CA 0.456 62.597 62.100 0.067 0.000 1.238 252 T CB -0.495 68.402 68.868 0.048 0.000 0.981 252 T HN -0.004 nan 8.240 nan 0.000 0.468 253 V N 2.429 122.403 119.914 0.101 0.000 2.270 253 V HA -0.125 3.995 4.120 0.001 0.000 0.245 253 V C 2.740 178.943 176.094 0.181 0.000 1.043 253 V CA 2.008 64.409 62.300 0.169 0.000 1.014 253 V CB -0.907 30.978 31.823 0.103 0.000 0.645 253 V HN 0.443 nan 8.190 nan 0.000 0.447 254 V N 0.906 120.866 119.914 0.077 0.000 2.233 254 V HA -0.361 3.759 4.120 0.001 0.000 0.252 254 V C 2.372 178.488 176.094 0.037 0.000 1.063 254 V CA 2.629 64.950 62.300 0.036 0.000 1.032 254 V CB -0.869 30.941 31.823 -0.022 0.000 0.645 254 V HN 0.588 nan 8.190 nan 0.000 0.446 255 N N -0.962 117.752 118.700 0.022 0.000 2.244 255 N HA -0.137 4.604 4.740 0.001 0.000 0.183 255 N C 1.639 177.126 175.510 -0.039 0.000 1.016 255 N CA 1.393 54.393 53.050 -0.083 0.000 0.866 255 N CB -0.423 38.030 38.487 -0.056 0.000 0.980 255 N HN 0.547 nan 8.380 nan 0.000 0.430 256 F N 1.877 121.876 119.950 0.082 0.000 2.134 256 F HA -0.036 4.491 4.527 0.001 0.000 0.299 256 F C 2.062 177.951 175.800 0.148 0.000 1.097 256 F CA 0.949 59.069 58.000 0.200 0.000 1.264 256 F CB -0.330 38.752 39.000 0.138 0.000 1.001 256 F HN -0.077 nan 8.300 nan 0.000 0.479 257 L N -0.890 120.419 121.223 0.144 0.000 2.079 257 L HA -0.250 4.091 4.340 0.001 0.000 0.210 257 L C 2.534 179.434 176.870 0.049 0.000 1.081 257 L CA 1.459 56.383 54.840 0.139 0.000 0.752 257 L CB -1.044 41.238 42.059 0.371 0.000 0.896 257 L HN 0.057 nan 8.230 nan 0.000 0.433 258 S N -0.632 115.082 115.700 0.023 0.000 2.383 258 S HA -0.097 4.374 4.470 0.001 0.000 0.227 258 S C 1.779 176.173 174.600 -0.343 0.000 1.026 258 S CA 1.105 59.263 58.200 -0.071 0.000 0.981 258 S CB -0.248 62.868 63.200 -0.140 0.000 0.818 258 S HN 0.201 nan 8.310 nan 0.000 0.472 259 F N 2.201 121.906 119.950 -0.408 0.000 2.075 259 F HA -0.098 4.429 4.527 0.001 0.000 0.297 259 F C 2.810 178.016 175.800 -0.989 0.000 1.113 259 F CA 1.057 58.639 58.000 -0.696 0.000 1.218 259 F CB -1.142 37.432 39.000 -0.709 0.000 0.984 259 F HN 0.092 nan 8.300 nan 0.000 0.472 260 S N -0.318 114.964 115.700 -0.697 0.000 2.370 260 S HA -0.252 4.219 4.470 0.001 0.000 0.226 260 S C 1.975 176.389 174.600 -0.310 0.000 1.033 260 S CA 1.581 59.453 58.200 -0.547 0.000 1.011 260 S CB -0.439 62.492 63.200 -0.450 0.000 0.852 260 S HN 0.269 nan 8.310 nan 0.000 0.457 261 M N 1.738 121.093 119.600 -0.407 0.000 2.288 261 M HA 0.047 4.527 4.480 0.001 0.000 0.266 261 M C 1.908 177.976 176.300 -0.387 0.000 1.072 261 M CA 1.210 56.180 55.300 -0.551 0.000 1.132 261 M CB -0.431 31.407 32.600 -1.270 0.000 1.386 261 M HN 0.354 nan 8.290 nan 0.000 0.432 262 E N -0.850 119.154 120.200 -0.326 0.000 2.077 262 E HA -0.247 4.103 4.350 0.001 0.000 0.193 262 E C 1.955 178.498 176.600 -0.095 0.000 0.989 262 E CA 1.425 57.722 56.400 -0.172 0.000 0.800 262 E CB -0.451 29.185 29.700 -0.107 0.000 0.746 262 E HN 0.519 nan 8.360 nan 0.000 0.452 263 F N 1.683 121.461 119.950 -0.287 0.000 2.075 263 F HA -0.168 4.360 4.527 0.001 0.000 0.297 263 F C 2.096 177.831 175.800 -0.108 0.000 1.113 263 F CA 1.533 59.425 58.000 -0.181 0.000 1.218 263 F CB -0.369 38.507 39.000 -0.206 0.000 0.984 263 F HN -0.008 nan 8.300 nan 0.000 0.472 264 L N 0.022 121.212 121.223 -0.055 0.000 2.127 264 L HA -0.237 4.103 4.340 0.001 0.000 0.211 264 L C 2.697 179.404 176.870 -0.272 0.000 1.089 264 L CA 1.154 55.927 54.840 -0.111 0.000 0.757 264 L CB -1.160 40.956 42.059 0.096 0.000 0.899 264 L HN 0.322 nan 8.230 nan 0.000 0.434 265 A N -0.081 122.669 122.820 -0.116 0.000 2.014 265 A HA -0.137 4.183 4.320 0.001 0.000 0.218 265 A C 2.160 179.621 177.584 -0.204 0.000 1.163 265 A CA 1.161 53.129 52.037 -0.116 0.000 0.652 265 A CB -0.148 18.966 19.000 0.191 0.000 0.808 265 A HN 0.350 nan 8.150 nan 0.000 0.449 266 K N -0.645 119.616 120.400 -0.232 0.000 2.393 266 K HA 0.130 4.450 4.320 0.001 0.000 0.193 266 K C 0.279 176.691 176.600 -0.313 0.000 1.026 266 K CA 0.512 56.665 56.287 -0.223 0.000 1.064 266 K CB 0.354 32.752 32.500 -0.170 0.000 0.833 266 K HN 0.231 nan 8.250 nan 0.000 0.521 267 S N 1.324 116.760 115.700 -0.440 0.000 2.259 267 S HA 0.276 4.747 4.470 0.001 0.000 0.181 267 S C -2.355 172.106 174.600 -0.231 0.000 1.589 267 S CA -1.751 56.214 58.200 -0.392 0.000 1.234 267 S CB 0.722 63.469 63.200 -0.755 0.000 1.119 267 S HN -0.144 nan 8.310 nan 0.000 0.458 268 P HA -0.131 nan 4.420 nan 0.000 0.216 268 P C 0.935 178.192 177.300 -0.071 0.000 1.150 268 P CA 1.202 64.211 63.100 -0.151 0.000 0.843 268 P CB 0.207 31.832 31.700 -0.125 0.000 0.787 269 E N -1.185 118.987 120.200 -0.046 0.000 2.033 269 E HA -0.241 4.110 4.350 0.001 0.000 0.199 269 E C 1.952 178.529 176.600 -0.038 0.000 1.011 269 E CA 1.612 57.981 56.400 -0.052 0.000 0.815 269 E CB -1.453 28.197 29.700 -0.083 0.000 0.755 269 E HN 0.457 nan 8.360 nan 0.000 0.451 270 H N 0.039 119.106 119.070 -0.005 0.000 2.456 270 H HA 0.054 4.610 4.556 0.001 0.000 0.296 270 H C 1.967 177.455 175.328 0.266 0.000 1.079 270 H CA 1.379 57.534 56.048 0.178 0.000 1.322 270 H CB 0.061 29.935 29.762 0.186 0.000 1.388 270 H HN 0.033 nan 8.280 nan 0.000 0.538 271 R N 0.168 120.777 120.500 0.182 0.000 2.062 271 R HA -0.110 4.230 4.340 0.001 0.000 0.231 271 R C 2.176 178.525 176.300 0.082 0.000 1.136 271 R CA 1.016 57.176 56.100 0.099 0.000 0.948 271 R CB -0.160 30.095 30.300 -0.076 0.000 0.845 271 R HN 0.379 nan 8.270 nan 0.000 0.430 272 Q N 0.825 120.647 119.800 0.036 0.000 2.112 272 Q HA -0.232 4.108 4.340 0.001 0.000 0.206 272 Q C 1.959 177.992 176.000 0.054 0.000 0.987 272 Q CA 1.523 57.343 55.803 0.027 0.000 0.858 272 Q CB -0.158 28.581 28.738 0.001 0.000 0.905 272 Q HN 0.435 nan 8.270 nan 0.000 0.420 273 E N 0.072 120.322 120.200 0.084 0.000 2.070 273 E HA -0.191 4.159 4.350 0.001 0.000 0.197 273 E C 2.136 178.803 176.600 0.113 0.000 1.004 273 E CA 0.984 57.451 56.400 0.111 0.000 0.805 273 E CB -0.029 29.781 29.700 0.184 0.000 0.744 273 E HN 0.309 nan 8.360 nan 0.000 0.451 274 L N 0.285 121.584 121.223 0.126 0.000 2.109 274 L HA -0.124 4.216 4.340 0.001 0.000 0.207 274 L C 2.571 179.470 176.870 0.048 0.000 1.086 274 L CA 0.549 55.422 54.840 0.056 0.000 0.760 274 L CB -0.347 41.731 42.059 0.031 0.000 0.910 274 L HN 0.213 nan 8.230 nan 0.000 0.437 275 I N 0.649 121.254 120.570 0.057 0.000 2.163 275 I HA -0.314 3.857 4.170 0.001 0.000 0.243 275 I C 2.335 178.471 176.117 0.032 0.000 1.085 275 I CA 1.879 63.204 61.300 0.043 0.000 1.347 275 I CB -0.161 37.861 38.000 0.037 0.000 1.044 275 I HN 0.411 nan 8.210 nan 0.000 0.408 276 E N 0.453 120.673 120.200 0.032 0.000 2.474 276 E HA 0.077 4.427 4.350 0.001 0.000 0.195 276 E C 0.536 177.153 176.600 0.028 0.000 1.039 276 E CA -0.016 56.399 56.400 0.026 0.000 0.881 276 E CB 0.284 29.997 29.700 0.022 0.000 0.970 276 E HN 0.372 nan 8.360 nan 0.000 0.486 277 R N 0.761 121.281 120.500 0.033 0.000 2.638 277 R HA 0.190 4.531 4.340 0.001 0.000 0.261 277 R C -2.355 173.960 176.300 0.024 0.000 1.515 277 R CA -1.468 54.651 56.100 0.032 0.000 1.623 277 R CB 1.077 31.403 30.300 0.043 0.000 1.347 277 R HN 0.035 nan 8.270 nan 0.000 0.705 278 P HA -0.289 nan 4.420 nan 0.000 0.217 278 P C 1.328 178.635 177.300 0.012 0.000 1.158 278 P CA 1.452 64.561 63.100 0.016 0.000 0.887 278 P CB 0.185 31.896 31.700 0.020 0.000 0.792 279 E N 0.415 120.625 120.200 0.017 0.000 2.339 279 E HA -0.243 4.107 4.350 0.001 0.000 0.201 279 E C 1.512 178.120 176.600 0.013 0.000 1.015 279 E CA 1.359 57.770 56.400 0.018 0.000 0.841 279 E CB -0.809 28.904 29.700 0.022 0.000 0.754 279 E HN 0.361 nan 8.360 nan 0.000 0.508 280 R N 0.062 120.564 120.500 0.003 0.000 2.297 280 R HA 0.247 4.587 4.340 0.001 0.000 0.197 280 R C 2.435 178.688 176.300 -0.078 0.000 0.943 280 R CA 0.200 56.291 56.100 -0.015 0.000 1.038 280 R CB -0.135 30.168 30.300 0.004 0.000 0.957 280 R HN 0.205 nan 8.270 nan 0.000 0.484 281 I N 1.635 122.166 120.570 -0.064 0.000 2.151 281 I HA -0.247 3.924 4.170 0.001 0.000 0.243 281 I C -0.794 175.297 176.117 -0.044 0.000 1.080 281 I CA 1.659 62.911 61.300 -0.079 0.000 1.339 281 I CB -1.012 36.977 38.000 -0.017 0.000 1.039 281 I HN 0.056 nan 8.210 nan 0.000 0.409 282 P HA -0.173 nan 4.420 nan 0.000 0.215 282 P C 1.484 178.808 177.300 0.041 0.000 1.157 282 P CA 1.898 65.021 63.100 0.038 0.000 0.868 282 P CB -0.029 31.699 31.700 0.046 0.000 0.788 283 A N -0.183 122.653 122.820 0.027 0.000 1.930 283 A HA -0.080 4.241 4.320 0.001 0.000 0.217 283 A C 2.292 179.905 177.584 0.049 0.000 1.175 283 A CA 1.920 53.991 52.037 0.056 0.000 0.627 283 A CB -1.591 17.450 19.000 0.068 0.000 0.815 283 A HN 0.183 nan 8.150 nan 0.000 0.443 284 A N -0.987 121.768 122.820 -0.108 0.000 1.933 284 A HA -0.197 4.123 4.320 0.001 0.000 0.218 284 A C 2.374 179.939 177.584 -0.031 0.000 1.175 284 A CA 1.634 53.463 52.037 -0.347 0.000 0.628 284 A CB -1.401 16.967 19.000 -1.053 0.000 0.814 284 A HN 0.855 nan 8.150 nan 0.000 0.444 285 C N -0.467 118.851 119.300 0.029 0.000 2.432 285 C HA -0.100 4.361 4.460 0.001 0.000 0.277 285 C C 2.548 177.651 174.990 0.188 0.000 1.249 285 C CA 1.596 60.705 59.018 0.152 0.000 1.725 285 C CB -1.089 26.738 27.740 0.145 0.000 2.028 285 C HN 0.626 nan 8.230 nan 0.000 0.477 286 E N 0.437 120.731 120.200 0.156 0.000 2.110 286 E HA -0.192 4.158 4.350 0.001 0.000 0.193 286 E C 2.007 178.700 176.600 0.156 0.000 0.988 286 E CA 1.613 58.114 56.400 0.168 0.000 0.804 286 E CB -0.507 29.307 29.700 0.190 0.000 0.745 286 E HN 0.813 nan 8.360 nan 0.000 0.458 287 E N 0.983 121.294 120.200 0.184 0.000 2.072 287 E HA -0.107 4.244 4.350 0.001 0.000 0.191 287 E C 2.149 178.810 176.600 0.102 0.000 0.985 287 E CA 0.772 57.270 56.400 0.163 0.000 0.801 287 E CB -0.316 29.552 29.700 0.280 0.000 0.750 287 E HN 0.183 nan 8.360 nan 0.000 0.452 288 L N 0.003 121.360 121.223 0.223 0.000 2.141 288 L HA -0.109 4.231 4.340 0.001 0.000 0.209 288 L C 2.457 179.576 176.870 0.416 0.000 1.094 288 L CA 0.722 55.736 54.840 0.290 0.000 0.763 288 L CB -0.328 41.969 42.059 0.396 0.000 0.908 288 L HN 0.220 nan 8.230 nan 0.000 0.437 289 L N -0.560 120.855 121.223 0.319 0.000 2.141 289 L HA -0.183 4.157 4.340 0.001 0.000 0.209 289 L C 2.832 179.518 176.870 -0.305 0.000 1.094 289 L CA 1.020 55.813 54.840 -0.079 0.000 0.763 289 L CB -0.370 41.416 42.059 -0.453 0.000 0.908 289 L HN 0.258 nan 8.230 nan 0.000 0.437 290 R N 0.048 120.408 120.500 -0.234 0.000 2.055 290 R HA -0.159 4.182 4.340 0.001 0.000 0.226 290 R C 2.466 178.611 176.300 -0.259 0.000 1.135 290 R CA 1.057 57.019 56.100 -0.229 0.000 0.959 290 R CB -0.051 30.226 30.300 -0.039 0.000 0.854 290 R HN 0.050 nan 8.270 nan 0.000 0.431 291 R N 0.219 120.509 120.500 -0.349 0.000 2.073 291 R HA -0.089 4.251 4.340 0.001 0.000 0.234 291 R C 0.658 176.458 176.300 -0.833 0.000 1.134 291 R CA 1.681 57.370 56.100 -0.684 0.000 0.952 291 R CB -0.366 29.279 30.300 -1.091 0.000 0.850 291 R HN 0.239 nan 8.270 nan 0.000 0.433 292 F N 0.479 120.299 119.950 -0.216 0.000 2.925 292 F HA 0.420 4.948 4.527 0.001 0.000 0.302 292 F C 0.455 176.118 175.800 -0.228 0.000 1.189 292 F CA -0.511 57.272 58.000 -0.362 0.000 1.346 292 F CB -0.184 38.550 39.000 -0.443 0.000 0.954 292 F HN -0.100 nan 8.300 nan 0.000 0.506 293 S N 1.753 117.365 115.700 -0.147 0.000 2.566 293 S HA 0.246 4.716 4.470 0.001 0.000 0.280 293 S C 0.891 175.338 174.600 -0.255 0.000 1.343 293 S CA -0.088 57.984 58.200 -0.213 0.000 1.036 293 S CB 0.550 63.569 63.200 -0.301 0.000 0.866 293 S HN 0.577 nan 8.310 nan 0.000 0.526 294 L N 1.720 122.814 121.223 -0.216 0.000 3.515 294 L HA 0.567 4.908 4.340 0.001 0.000 0.322 294 L C -0.904 175.827 176.870 -0.231 0.000 1.225 294 L CA -0.584 54.130 54.840 -0.210 0.000 1.104 294 L CB 0.142 42.232 42.059 0.052 0.000 1.506 294 L HN 0.345 nan 8.230 nan 0.000 0.624 295 V N 1.811 121.577 119.914 -0.247 0.000 2.612 295 V HA 0.853 4.974 4.120 0.001 0.000 0.301 295 V C 0.284 176.204 176.094 -0.290 0.000 1.046 295 V CA 0.099 62.266 62.300 -0.221 0.000 0.946 295 V CB 1.529 33.265 31.823 -0.146 0.000 1.003 295 V HN 0.352 nan 8.190 nan 0.000 0.459 296 A N 3.167 125.825 122.820 -0.271 0.000 2.667 296 A HA 0.665 4.985 4.320 0.001 0.000 0.291 296 A C -0.878 176.598 177.584 -0.180 0.000 1.123 296 A CA -0.659 51.235 52.037 -0.239 0.000 0.832 296 A CB 0.573 19.317 19.000 -0.427 0.000 1.396 296 A HN 0.848 nan 8.150 nan 0.000 0.401 297 D N 1.076 121.410 120.400 -0.109 0.000 2.758 297 D HA 0.863 5.503 4.640 0.001 0.000 0.262 297 D C 0.503 176.790 176.300 -0.022 0.000 1.113 297 D CA 0.038 53.942 54.000 -0.161 0.000 1.114 297 D CB 1.106 41.781 40.800 -0.210 0.000 1.363 297 D HN 0.777 nan 8.370 nan 0.000 0.617 298 G N -1.726 107.057 108.800 -0.028 0.000 2.871 298 G HA2 0.597 4.557 3.960 0.001 0.000 0.282 298 G HA3 0.597 4.557 3.960 0.001 0.000 0.282 298 G C -1.009 173.885 174.900 -0.009 0.000 1.212 298 G CA -0.711 44.362 45.100 -0.045 0.000 0.812 298 G HN 0.416 nan 8.290 nan 0.000 0.547 299 R N -1.234 119.259 120.500 -0.012 0.000 2.831 299 R HA 0.623 4.964 4.340 0.001 0.000 0.266 299 R C -1.473 174.902 176.300 0.126 0.000 1.051 299 R CA -0.739 55.404 56.100 0.071 0.000 0.943 299 R CB 1.659 32.036 30.300 0.129 0.000 1.228 299 R HN 0.562 nan 8.270 nan 0.000 0.467 300 I N 1.472 122.122 120.570 0.134 0.000 2.569 300 I HA 0.287 4.457 4.170 0.001 0.000 0.296 300 I C -0.598 175.588 176.117 0.114 0.000 1.028 300 I CA -1.058 60.322 61.300 0.133 0.000 1.082 300 I CB 1.316 39.367 38.000 0.084 0.000 1.264 300 I HN 0.221 nan 8.210 nan 0.000 0.429 301 L N 6.224 127.516 121.223 0.116 0.000 2.455 301 L HA 0.111 4.452 4.340 0.001 0.000 0.272 301 L C 1.560 178.419 176.870 -0.019 0.000 1.174 301 L CA 0.435 55.282 54.840 0.010 0.000 0.869 301 L CB 0.914 43.016 42.059 0.072 0.000 1.130 301 L HN 0.783 nan 8.230 nan 0.000 0.474 302 T N -1.866 112.629 114.554 -0.098 0.000 3.067 302 T HA 0.091 4.441 4.350 0.001 0.000 0.257 302 T C 0.724 175.378 174.700 -0.076 0.000 1.105 302 T CA 0.442 62.487 62.100 -0.091 0.000 1.104 302 T CB 0.186 68.960 68.868 -0.156 0.000 0.925 302 T HN 0.657 nan 8.240 nan 0.000 0.498 303 S N -0.335 115.329 115.700 -0.060 0.000 2.655 303 S HA 0.392 4.863 4.470 0.001 0.000 0.266 303 S C -2.135 172.494 174.600 0.047 0.000 1.149 303 S CA -1.216 56.977 58.200 -0.012 0.000 0.818 303 S CB 0.782 63.964 63.200 -0.029 0.000 1.130 303 S HN 0.102 nan 8.310 nan 0.000 0.476 304 D N 1.026 121.464 120.400 0.064 0.000 2.424 304 D HA 0.439 5.079 4.640 0.001 0.000 0.244 304 D C -1.009 175.404 176.300 0.189 0.000 1.134 304 D CA 0.916 54.971 54.000 0.092 0.000 0.881 304 D CB 0.375 41.209 40.800 0.057 0.000 1.191 304 D HN 0.527 nan 8.370 nan 0.000 0.445 305 Y N 0.722 121.011 120.300 -0.017 0.000 2.436 305 Y HA 0.171 4.722 4.550 0.001 0.000 0.327 305 Y C -1.072 174.800 175.900 -0.047 0.000 1.138 305 Y CA -1.044 57.017 58.100 -0.065 0.000 1.042 305 Y CB 1.433 39.794 38.460 -0.167 0.000 1.302 305 Y HN 0.248 nan 8.280 nan 0.000 0.439 306 E N 5.617 125.553 120.200 -0.440 0.000 2.130 306 E HA 0.362 4.712 4.350 0.001 0.000 0.284 306 E C -1.912 174.308 176.600 -0.633 0.000 1.018 306 E CA -0.304 55.870 56.400 -0.377 0.000 0.817 306 E CB 0.424 29.975 29.700 -0.247 0.000 1.078 306 E HN 0.417 nan 8.360 nan 0.000 0.396 307 F N 6.218 125.837 119.950 -0.553 0.000 2.382 307 F HA 0.296 4.823 4.527 0.001 0.000 0.361 307 F C -0.601 175.071 175.800 -0.214 0.000 1.109 307 F CA -0.640 57.096 58.000 -0.440 0.000 1.031 307 F CB 0.363 39.295 39.000 -0.113 0.000 1.234 307 F HN 0.657 nan 8.300 nan 0.000 0.445 308 H N 4.199 122.930 119.070 -0.564 0.000 2.756 308 H HA -0.173 4.383 4.556 0.001 0.000 0.315 308 H C 1.436 176.591 175.328 -0.287 0.000 1.210 308 H CA 1.040 56.797 56.048 -0.485 0.000 1.150 308 H CB -1.117 28.230 29.762 -0.691 0.000 1.463 308 H HN 1.179 nan 8.280 nan 0.000 0.427 309 G N -1.638 107.068 108.800 -0.157 0.000 2.267 309 G HA2 -0.349 3.612 3.960 0.001 0.000 0.257 309 G HA3 -0.349 3.612 3.960 0.001 0.000 0.257 309 G C 0.365 175.219 174.900 -0.075 0.000 0.998 309 G CA 0.285 45.331 45.100 -0.090 0.000 0.620 309 G HN 0.520 nan 8.290 nan 0.000 0.529 310 V N 1.740 121.584 119.914 -0.117 0.000 2.481 310 V HA 0.565 4.685 4.120 0.001 0.000 0.286 310 V C 0.403 176.421 176.094 -0.126 0.000 1.042 310 V CA -0.678 61.540 62.300 -0.137 0.000 0.928 310 V CB 1.849 33.484 31.823 -0.313 0.000 0.986 310 V HN 0.286 nan 8.190 nan 0.000 0.462 311 Q N 4.420 124.204 119.800 -0.028 0.000 2.377 311 Q HA 0.434 4.774 4.340 0.001 0.000 0.249 311 Q C -0.979 175.120 176.000 0.166 0.000 1.005 311 Q CA -0.139 55.691 55.803 0.044 0.000 0.912 311 Q CB 1.038 29.834 28.738 0.095 0.000 1.223 311 Q HN 0.633 nan 8.270 nan 0.000 0.459 312 L N 3.260 124.543 121.223 0.100 0.000 2.312 312 L HA 0.442 4.783 4.340 0.001 0.000 0.281 312 L C 0.615 177.609 176.870 0.207 0.000 1.070 312 L CA -0.662 54.316 54.840 0.230 0.000 0.805 312 L CB 0.720 42.843 42.059 0.106 0.000 1.174 312 L HN 0.155 nan 8.230 nan 0.000 0.434 313 K N 2.022 122.530 120.400 0.181 0.000 2.106 313 K HA 0.306 4.626 4.320 0.001 0.000 0.246 313 K C -0.427 176.202 176.600 0.048 0.000 0.987 313 K CA -0.895 55.375 56.287 -0.028 0.000 0.904 313 K CB 1.567 33.825 32.500 -0.404 0.000 1.071 313 K HN 0.401 nan 8.250 nan 0.000 0.453 314 K N 0.029 120.438 120.400 0.015 0.000 2.451 314 K HA 0.080 4.401 4.320 0.001 0.000 0.280 314 K C 0.673 177.303 176.600 0.049 0.000 1.020 314 K CA 1.265 57.569 56.287 0.029 0.000 1.008 314 K CB -0.069 32.436 32.500 0.009 0.000 0.917 314 K HN 0.757 nan 8.250 nan 0.000 0.478 315 G N 3.081 111.927 108.800 0.078 0.000 2.213 315 G HA2 -0.197 3.763 3.960 0.001 0.000 0.226 315 G HA3 -0.197 3.763 3.960 0.001 0.000 0.226 315 G C -0.329 174.673 174.900 0.170 0.000 0.992 315 G CA 0.015 45.175 45.100 0.099 0.000 0.632 315 G HN 0.704 nan 8.290 nan 0.000 0.511 316 D N 1.286 121.834 120.400 0.246 0.000 2.382 316 D HA 0.430 5.071 4.640 0.001 0.000 0.240 316 D C 0.732 177.250 176.300 0.363 0.000 1.146 316 D CA 0.516 54.761 54.000 0.410 0.000 0.897 316 D CB 0.623 41.826 40.800 0.671 0.000 1.197 316 D HN 0.486 nan 8.370 nan 0.000 0.432 317 Q N 0.642 120.657 119.800 0.358 0.000 2.309 317 Q HA 0.649 4.989 4.340 0.001 0.000 0.264 317 Q C -0.554 175.643 176.000 0.329 0.000 1.008 317 Q CA -0.706 55.245 55.803 0.248 0.000 0.853 317 Q CB 2.786 31.589 28.738 0.109 0.000 1.314 317 Q HN 0.426 nan 8.270 nan 0.000 0.448 318 I N 2.603 123.324 120.570 0.251 0.000 2.499 318 I HA 0.266 4.436 4.170 0.001 0.000 0.288 318 I C -1.646 174.509 176.117 0.064 0.000 1.048 318 I CA -1.103 60.353 61.300 0.261 0.000 1.062 318 I CB 1.323 39.481 38.000 0.262 0.000 1.238 318 I HN 0.487 nan 8.210 nan 0.000 0.426 319 L N 8.385 129.663 121.223 0.092 0.000 2.331 319 L HA 0.438 4.778 4.340 0.001 0.000 0.278 319 L C -1.067 175.792 176.870 -0.018 0.000 1.106 319 L CA 0.171 55.017 54.840 0.009 0.000 0.824 319 L CB 0.852 42.961 42.059 0.083 0.000 1.142 319 L HN 0.513 nan 8.230 nan 0.000 0.443 320 L N 7.159 128.329 121.223 -0.089 0.000 2.495 320 L HA 0.384 4.724 4.340 0.001 0.000 0.248 320 L C -2.233 174.668 176.870 0.051 0.000 1.229 320 L CA -1.756 53.000 54.840 -0.140 0.000 0.942 320 L CB 0.801 42.483 42.059 -0.628 0.000 1.242 320 L HN 0.468 nan 8.230 nan 0.000 0.484 321 P HA -0.012 nan 4.420 nan 0.000 0.257 321 P C 0.370 177.652 177.300 -0.030 0.000 1.189 321 P CA 0.301 63.391 63.100 -0.018 0.000 0.780 321 P CB 0.726 32.444 31.700 0.030 0.000 0.772 322 Q N 3.242 123.017 119.800 -0.042 0.000 2.226 322 Q HA -0.178 4.163 4.340 0.001 0.000 0.204 322 Q C 1.821 177.739 176.000 -0.136 0.000 0.975 322 Q CA 1.695 57.468 55.803 -0.050 0.000 0.866 322 Q CB -0.586 28.089 28.738 -0.105 0.000 0.915 322 Q HN 0.609 nan 8.270 nan 0.000 0.440 323 M N -2.112 117.344 119.600 -0.239 0.000 2.557 323 M HA -0.001 4.480 4.480 0.001 0.000 0.259 323 M C 1.141 177.318 176.300 -0.205 0.000 1.086 323 M CA 1.331 56.462 55.300 -0.281 0.000 1.096 323 M CB 0.013 32.349 32.600 -0.441 0.000 1.424 323 M HN 0.086 nan 8.290 nan 0.000 0.488 324 L N -0.094 121.044 121.223 -0.141 0.000 2.209 324 L HA 0.001 4.341 4.340 0.001 0.000 0.207 324 L C 2.507 179.330 176.870 -0.079 0.000 1.094 324 L CA 0.483 55.270 54.840 -0.090 0.000 0.790 324 L CB -0.482 41.545 42.059 -0.054 0.000 0.932 324 L HN 0.384 nan 8.230 nan 0.000 0.447 325 S N 0.641 116.301 115.700 -0.066 0.000 2.369 325 S HA -0.213 4.257 4.470 0.001 0.000 0.225 325 S C 1.916 176.484 174.600 -0.054 0.000 1.043 325 S CA 1.666 59.832 58.200 -0.056 0.000 1.074 325 S CB -0.838 62.336 63.200 -0.044 0.000 0.962 325 S HN 0.596 nan 8.310 nan 0.000 0.433 326 G N 0.424 109.197 108.800 -0.045 0.000 2.625 326 G HA2 0.032 3.992 3.960 0.001 0.000 0.214 326 G HA3 0.032 3.992 3.960 0.001 0.000 0.214 326 G C 1.062 175.917 174.900 -0.075 0.000 1.132 326 G CA 0.257 45.336 45.100 -0.036 0.000 0.782 326 G HN 0.450 nan 8.290 nan 0.000 0.538 327 L N -0.243 120.927 121.223 -0.089 0.000 2.590 327 L HA 0.185 4.525 4.340 0.001 0.000 0.227 327 L C 0.469 177.297 176.870 -0.070 0.000 1.099 327 L CA -0.312 54.474 54.840 -0.090 0.000 0.872 327 L CB 0.206 42.207 42.059 -0.096 0.000 1.088 327 L HN 0.003 nan 8.230 nan 0.000 0.479 328 D N 1.941 122.301 120.400 -0.068 0.000 2.389 328 D HA -0.080 4.561 4.640 0.001 0.000 0.263 328 D C 1.411 177.676 176.300 -0.057 0.000 1.255 328 D CA 0.126 54.087 54.000 -0.065 0.000 0.914 328 D CB 0.988 41.747 40.800 -0.069 0.000 1.116 328 D HN 0.220 nan 8.370 nan 0.000 0.502 329 E N 4.587 124.755 120.200 -0.053 0.000 2.273 329 E HA -0.252 4.099 4.350 0.001 0.000 0.198 329 E C 1.041 177.613 176.600 -0.047 0.000 1.002 329 E CA 0.938 57.311 56.400 -0.046 0.000 0.828 329 E CB -0.284 29.391 29.700 -0.042 0.000 0.747 329 E HN 0.561 nan 8.360 nan 0.000 0.491 330 R N 0.528 120.998 120.500 -0.051 0.000 2.280 330 R HA 0.040 4.380 4.340 0.001 0.000 0.207 330 R C 1.545 177.816 176.300 -0.048 0.000 1.043 330 R CA 1.128 57.197 56.100 -0.050 0.000 1.006 330 R CB 0.051 30.316 30.300 -0.058 0.000 0.885 330 R HN 0.369 nan 8.270 nan 0.000 0.467 331 E N -0.493 119.678 120.200 -0.048 0.000 2.485 331 E HA 0.155 4.505 4.350 0.001 0.000 0.213 331 E C -0.292 176.284 176.600 -0.039 0.000 0.923 331 E CA -0.029 56.344 56.400 -0.045 0.000 1.054 331 E CB 0.682 30.352 29.700 -0.051 0.000 1.077 331 E HN 0.143 nan 8.360 nan 0.000 0.509 332 N N 1.176 119.852 118.700 -0.040 0.000 2.572 332 N HA 0.260 5.000 4.740 0.001 0.000 0.287 332 N C -1.130 174.357 175.510 -0.039 0.000 1.136 332 N CA -0.183 52.846 53.050 -0.035 0.000 0.900 332 N CB 2.001 40.466 38.487 -0.035 0.000 1.484 332 N HN 0.019 nan 8.380 nan 0.000 0.526 333 A N 1.495 124.291 122.820 -0.039 0.000 2.531 333 A HA 0.445 4.766 4.320 0.001 0.000 0.236 333 A C 1.131 178.680 177.584 -0.058 0.000 1.062 333 A CA 0.613 52.621 52.037 -0.048 0.000 0.760 333 A CB -0.136 18.834 19.000 -0.049 0.000 0.995 333 A HN 1.270 nan 8.150 nan 0.000 0.501 334 A N 3.050 125.827 122.820 -0.071 0.000 2.415 334 A HA -0.114 4.207 4.320 0.001 0.000 0.292 334 A C -0.329 177.250 177.584 -0.009 0.000 1.452 334 A CA 0.714 52.700 52.037 -0.085 0.000 0.750 334 A CB -1.518 17.334 19.000 -0.247 0.000 1.099 334 A HN 0.843 nan 8.150 nan 0.000 0.391 335 P HA -0.236 nan 4.420 nan 0.000 0.217 335 P C 1.251 178.520 177.300 -0.052 0.000 1.148 335 P CA 1.620 64.697 63.100 -0.038 0.000 0.834 335 P CB -0.126 31.543 31.700 -0.052 0.000 0.783 336 M N -1.803 117.801 119.600 0.007 0.000 2.619 336 M HA 0.036 4.517 4.480 0.001 0.000 0.251 336 M C 0.421 176.677 176.300 -0.073 0.000 1.106 336 M CA 0.505 55.778 55.300 -0.045 0.000 1.086 336 M CB -1.765 30.834 32.600 -0.001 0.000 1.465 336 M HN 0.020 nan 8.290 nan 0.000 0.506 337 H N -0.580 118.423 119.070 -0.111 0.000 2.502 337 H HA 0.380 4.937 4.556 0.001 0.000 0.327 337 H C -0.435 174.802 175.328 -0.151 0.000 1.099 337 H CA -0.388 55.609 56.048 -0.085 0.000 1.323 337 H CB 1.106 30.847 29.762 -0.035 0.000 1.450 337 H HN -0.209 nan 8.280 nan 0.000 0.502 338 V N 3.469 123.314 119.914 -0.114 0.000 2.368 338 V HA 0.102 4.223 4.120 0.001 0.000 0.266 338 V C -0.086 175.970 176.094 -0.062 0.000 1.045 338 V CA -0.319 61.827 62.300 -0.258 0.000 0.899 338 V CB 0.702 32.107 31.823 -0.697 0.000 1.006 338 V HN 0.755 nan 8.190 nan 0.000 0.470 339 D N 4.051 124.420 120.400 -0.052 0.000 2.440 339 D HA 0.374 5.015 4.640 0.001 0.000 0.252 339 D C 0.525 176.876 176.300 0.086 0.000 1.180 339 D CA -0.545 53.454 54.000 -0.001 0.000 0.894 339 D CB 0.867 41.690 40.800 0.037 0.000 1.111 339 D HN 0.239 nan 8.370 nan 0.000 0.544 340 F N 1.288 121.332 119.950 0.157 0.000 2.494 340 F HA -0.059 4.469 4.527 0.001 0.000 0.298 340 F C 2.210 178.059 175.800 0.081 0.000 1.106 340 F CA 0.655 58.729 58.000 0.123 0.000 1.452 340 F CB -0.680 38.405 39.000 0.142 0.000 1.085 340 F HN 0.337 nan 8.300 nan 0.000 0.569 341 S N -0.850 114.979 115.700 0.216 0.000 2.582 341 S HA 0.139 4.610 4.470 0.001 0.000 0.234 341 S C 0.716 175.372 174.600 0.093 0.000 0.961 341 S CA -0.709 57.572 58.200 0.135 0.000 0.953 341 S CB -0.390 62.868 63.200 0.097 0.000 0.800 341 S HN 0.253 nan 8.310 nan 0.000 0.471 342 R N 1.818 122.377 120.500 0.099 0.000 2.480 342 R HA 0.062 4.402 4.340 0.001 0.000 0.303 342 R C 1.129 177.462 176.300 0.056 0.000 0.985 342 R CA 0.003 56.141 56.100 0.064 0.000 1.051 342 R CB 0.331 30.668 30.300 0.063 0.000 0.935 342 R HN 0.267 nan 8.270 nan 0.000 0.410 343 Q N 2.393 122.214 119.800 0.036 0.000 2.050 343 Q HA -0.169 4.171 4.340 0.001 0.000 0.202 343 Q C 0.198 176.213 176.000 0.025 0.000 0.980 343 Q CA 1.650 57.470 55.803 0.029 0.000 0.840 343 Q CB -0.033 28.716 28.738 0.018 0.000 0.898 343 Q HN 0.300 nan 8.270 nan 0.000 0.424 344 K N 0.532 120.942 120.400 0.017 0.000 2.575 344 K HA 0.238 4.558 4.320 0.001 0.000 0.236 344 K C -1.487 175.118 176.600 0.007 0.000 0.976 344 K CA -0.289 56.003 56.287 0.008 0.000 0.985 344 K CB 1.040 33.538 32.500 -0.004 0.000 1.198 344 K HN -0.258 nan 8.250 nan 0.000 0.464 345 V N 3.403 123.329 119.914 0.021 0.000 2.326 345 V HA 0.162 4.282 4.120 0.001 0.000 0.249 345 V C 0.115 176.200 176.094 -0.015 0.000 1.114 345 V CA -0.279 62.044 62.300 0.039 0.000 1.028 345 V CB 0.154 32.034 31.823 0.095 0.000 1.170 345 V HN 0.742 nan 8.190 nan 0.000 0.494 346 S N 4.702 120.385 115.700 -0.028 0.000 2.480 346 S HA 0.707 5.178 4.470 0.001 0.000 0.286 346 S C -0.502 174.080 174.600 -0.029 0.000 1.180 346 S CA -0.425 57.722 58.200 -0.088 0.000 1.075 346 S CB 0.347 63.508 63.200 -0.065 0.000 0.996 346 S HN 1.083 nan 8.310 nan 0.000 0.487 347 H N -0.072 118.966 119.070 -0.054 0.000 2.917 347 H HA 0.482 5.038 4.556 0.001 0.000 0.299 347 H C -0.543 174.741 175.328 -0.074 0.000 1.418 347 H CA -0.331 55.669 56.048 -0.081 0.000 1.138 347 H CB 0.602 30.304 29.762 -0.101 0.000 1.830 347 H HN 0.331 nan 8.280 nan 0.000 0.514 348 T N -2.800 111.877 114.554 0.204 0.000 3.487 348 T HA 0.183 4.533 4.350 0.001 0.000 0.287 348 T C 0.402 175.125 174.700 0.037 0.000 1.004 348 T CA 0.158 62.333 62.100 0.124 0.000 0.977 348 T CB -0.511 68.370 68.868 0.022 0.000 1.180 348 T HN 0.604 nan 8.240 nan 0.000 0.490 349 T N 1.370 115.902 114.554 -0.035 0.000 2.759 349 T HA 0.012 4.362 4.350 0.001 0.000 0.269 349 T C 0.513 174.956 174.700 -0.428 0.000 1.042 349 T CA 1.299 63.148 62.100 -0.418 0.000 1.140 349 T CB -0.393 67.942 68.868 -0.887 0.000 0.864 349 T HN 0.477 nan 8.240 nan 0.000 0.455 350 F N 1.317 121.231 119.950 -0.059 0.000 2.645 350 F HA 0.475 5.002 4.527 0.001 0.000 0.300 350 F C 1.595 177.352 175.800 -0.070 0.000 1.115 350 F CA -0.343 57.611 58.000 -0.077 0.000 1.355 350 F CB -0.552 38.409 39.000 -0.066 0.000 1.026 350 F HN 0.305 nan 8.300 nan 0.000 0.536 351 G N 0.141 108.959 108.800 0.029 0.000 2.728 351 G HA2 -0.116 3.844 3.960 0.001 0.000 0.294 351 G HA3 -0.116 3.844 3.960 0.001 0.000 0.294 351 G C -1.466 173.437 174.900 0.004 0.000 1.342 351 G CA -0.751 44.291 45.100 -0.096 0.000 0.866 351 G HN 0.516 nan 8.290 nan 0.000 0.534 352 H N -0.611 118.307 119.070 -0.254 0.000 3.029 352 H HA 0.711 5.267 4.556 0.001 0.000 0.358 352 H C 0.479 175.788 175.328 -0.031 0.000 1.129 352 H CA 1.742 57.738 56.048 -0.087 0.000 1.230 352 H CB 1.374 31.138 29.762 0.002 0.000 1.827 352 H HN 2.628 nan 8.280 nan 0.000 0.530 353 G N 1.213 109.762 108.800 -0.419 0.000 2.526 353 G HA2 -0.186 3.775 3.960 0.001 0.000 0.250 353 G HA3 -0.186 3.775 3.960 0.001 0.000 0.250 353 G C 0.814 175.664 174.900 -0.084 0.000 1.289 353 G CA 0.035 45.022 45.100 -0.189 0.000 0.947 353 G HN 1.142 nan 8.290 nan 0.000 0.517 354 S N -0.663 115.017 115.700 -0.033 0.000 2.537 354 S HA -0.037 4.434 4.470 0.001 0.000 0.240 354 S C 1.151 175.566 174.600 -0.308 0.000 0.981 354 S CA 1.733 59.834 58.200 -0.166 0.000 0.948 354 S CB -0.219 62.843 63.200 -0.231 0.000 0.759 354 S HN 0.705 nan 8.310 nan 0.000 0.531 355 H N 0.214 119.278 119.070 -0.010 0.000 2.505 355 H HA 0.362 4.918 4.556 0.001 0.000 0.286 355 H C 0.229 175.541 175.328 -0.026 0.000 1.072 355 H CA -0.732 55.313 56.048 -0.004 0.000 1.141 355 H CB -0.071 29.698 29.762 0.011 0.000 1.550 355 H HN 0.287 nan 8.280 nan 0.000 0.547 356 L N 1.802 123.036 121.223 0.018 0.000 2.593 356 L HA -0.109 4.232 4.340 0.001 0.000 0.287 356 L C 0.614 177.493 176.870 0.016 0.000 1.243 356 L CA 0.211 55.057 54.840 0.010 0.000 0.890 356 L CB 0.159 42.209 42.059 -0.015 0.000 1.134 356 L HN 0.331 nan 8.230 nan 0.000 0.502 357 C N 6.251 125.571 119.300 0.033 0.000 2.419 357 C HA -0.007 4.454 4.460 0.001 0.000 0.398 357 C C 1.905 176.834 174.990 -0.103 0.000 1.498 357 C CA -0.249 58.772 59.018 0.006 0.000 1.494 357 C CB -1.379 26.412 27.740 0.085 0.000 2.485 357 C HN 0.881 nan 8.230 nan 0.000 0.608 358 L N 4.913 126.116 121.223 -0.034 0.000 2.395 358 L HA 0.128 4.469 4.340 0.001 0.000 0.218 358 L C 2.272 179.107 176.870 -0.059 0.000 1.130 358 L CA 1.308 56.131 54.840 -0.028 0.000 0.826 358 L CB -0.315 41.766 42.059 0.037 0.000 0.941 358 L HN 0.996 nan 8.230 nan 0.000 0.451 359 G N -0.908 107.835 108.800 -0.094 0.000 3.393 359 G HA2 -0.004 3.956 3.960 0.001 0.000 0.255 359 G HA3 -0.004 3.956 3.960 0.001 0.000 0.255 359 G C 1.263 176.006 174.900 -0.262 0.000 1.097 359 G CA -0.132 44.912 45.100 -0.093 0.000 0.780 359 G HN 0.479 nan 8.290 nan 0.000 0.540 360 Q N -0.184 119.244 119.800 -0.620 0.000 2.234 360 Q HA -0.183 4.158 4.340 0.001 0.000 0.206 360 Q C 1.708 177.262 176.000 -0.743 0.000 0.980 360 Q CA 1.278 56.345 55.803 -1.226 0.000 0.869 360 Q CB -0.486 27.027 28.738 -2.042 0.000 0.912 360 Q HN 0.466 nan 8.270 nan 0.000 0.436 361 H N 0.438 119.337 119.070 -0.286 0.000 2.333 361 H HA -0.045 4.511 4.556 0.001 0.000 0.302 361 H C 2.154 177.436 175.328 -0.076 0.000 1.075 361 H CA 1.311 57.271 56.048 -0.146 0.000 1.348 361 H CB -0.207 29.495 29.762 -0.099 0.000 1.393 361 H HN 0.248 nan 8.280 nan 0.000 0.509 362 L N 1.310 122.560 121.223 0.044 0.000 2.046 362 L HA -0.060 4.281 4.340 0.001 0.000 0.208 362 L C 2.552 179.444 176.870 0.036 0.000 1.077 362 L CA 1.769 56.633 54.840 0.040 0.000 0.747 362 L CB -1.011 41.069 42.059 0.035 0.000 0.896 362 L HN 0.183 nan 8.230 nan 0.000 0.432 363 A N -0.107 122.718 122.820 0.008 0.000 1.849 363 A HA -0.271 4.049 4.320 0.001 0.000 0.217 363 A C 2.403 180.065 177.584 0.130 0.000 1.202 363 A CA 2.178 54.264 52.037 0.081 0.000 0.629 363 A CB -0.706 18.381 19.000 0.146 0.000 0.834 363 A HN 0.506 nan 8.150 nan 0.000 0.447 364 R N -1.355 119.204 120.500 0.098 0.000 2.103 364 R HA -0.186 4.154 4.340 0.001 0.000 0.242 364 R C 2.454 178.847 176.300 0.155 0.000 1.142 364 R CA 1.728 57.911 56.100 0.138 0.000 0.960 364 R CB -0.344 30.015 30.300 0.099 0.000 0.858 364 R HN 0.446 nan 8.270 nan 0.000 0.439 365 R N 1.458 122.038 120.500 0.135 0.000 2.073 365 R HA -0.120 4.220 4.340 0.001 0.000 0.234 365 R C 1.865 178.299 176.300 0.224 0.000 1.134 365 R CA 1.757 57.947 56.100 0.151 0.000 0.952 365 R CB -0.196 30.175 30.300 0.118 0.000 0.850 365 R HN 0.322 nan 8.270 nan 0.000 0.433 366 E N -0.433 119.911 120.200 0.240 0.000 2.110 366 E HA -0.171 4.179 4.350 0.001 0.000 0.193 366 E C 2.010 178.919 176.600 0.515 0.000 0.988 366 E CA 1.463 58.116 56.400 0.422 0.000 0.804 366 E CB -0.164 29.652 29.700 0.193 0.000 0.745 366 E HN 0.373 nan 8.360 nan 0.000 0.458 367 I N 0.842 121.632 120.570 0.365 0.000 2.286 367 I HA -0.230 3.941 4.170 0.001 0.000 0.245 367 I C 2.309 178.586 176.117 0.268 0.000 1.104 367 I CA 0.941 62.454 61.300 0.356 0.000 1.397 367 I CB -0.083 38.134 38.000 0.362 0.000 1.072 367 I HN 0.081 nan 8.210 nan 0.000 0.417 368 I N -0.175 120.529 120.570 0.223 0.000 2.353 368 I HA -0.210 3.960 4.170 0.001 0.000 0.248 368 I C 2.413 178.626 176.117 0.159 0.000 1.119 368 I CA 0.982 62.380 61.300 0.163 0.000 1.417 368 I CB -0.171 37.910 38.000 0.135 0.000 1.078 368 I HN 0.015 nan 8.210 nan 0.000 0.421 369 V N 0.394 120.431 119.914 0.205 0.000 2.515 369 V HA -0.228 3.892 4.120 0.001 0.000 0.250 369 V C 2.442 178.616 176.094 0.134 0.000 1.058 369 V CA 2.121 64.532 62.300 0.185 0.000 1.064 369 V CB -0.758 31.229 31.823 0.275 0.000 0.675 369 V HN 0.450 nan 8.190 nan 0.000 0.461 370 T N 0.652 115.302 114.554 0.161 0.000 2.668 370 T HA -0.113 4.237 4.350 0.001 0.000 0.262 370 T C 1.908 176.666 174.700 0.098 0.000 1.045 370 T CA 1.602 63.768 62.100 0.109 0.000 1.152 370 T CB -0.313 68.692 68.868 0.228 0.000 0.864 370 T HN 0.292 nan 8.240 nan 0.000 0.419 371 L N 0.825 122.113 121.223 0.108 0.000 2.042 371 L HA -0.135 4.205 4.340 0.001 0.000 0.210 371 L C 2.827 179.758 176.870 0.103 0.000 1.076 371 L CA 1.285 56.179 54.840 0.091 0.000 0.749 371 L CB -0.577 41.526 42.059 0.074 0.000 0.893 371 L HN 0.139 nan 8.230 nan 0.000 0.432 372 K N 0.311 120.764 120.400 0.089 0.000 1.984 372 K HA -0.172 4.148 4.320 0.001 0.000 0.209 372 K C 2.014 178.650 176.600 0.061 0.000 1.046 372 K CA 1.554 57.883 56.287 0.070 0.000 0.934 372 K CB -0.066 32.474 32.500 0.067 0.000 0.717 372 K HN 0.202 nan 8.250 nan 0.000 0.438 373 E N -0.042 120.193 120.200 0.058 0.000 2.106 373 E HA -0.195 4.156 4.350 0.001 0.000 0.192 373 E C 1.762 178.354 176.600 -0.015 0.000 0.984 373 E CA 0.606 57.017 56.400 0.017 0.000 0.806 373 E CB -0.428 29.282 29.700 0.016 0.000 0.750 373 E HN 0.479 nan 8.360 nan 0.000 0.458 374 W N 1.555 122.752 121.300 -0.173 0.000 2.380 374 W HA -0.121 4.540 4.660 0.001 0.000 0.317 374 W C 1.944 178.360 176.519 -0.171 0.000 1.196 374 W CA 1.018 58.209 57.345 -0.256 0.000 1.307 374 W CB -0.553 28.696 29.460 -0.351 0.000 1.157 374 W HN 0.020 nan 8.180 nan 0.000 0.483 375 L N 0.534 121.907 121.223 0.250 0.000 2.127 375 L HA -0.263 4.078 4.340 0.001 0.000 0.211 375 L C 2.375 179.264 176.870 0.032 0.000 1.089 375 L CA 1.789 56.743 54.840 0.189 0.000 0.757 375 L CB -1.215 40.948 42.059 0.173 0.000 0.899 375 L HN -0.061 nan 8.230 nan 0.000 0.434 376 T N -0.684 113.862 114.554 -0.013 0.000 2.737 376 T HA -0.145 4.206 4.350 0.001 0.000 0.265 376 T C 2.040 176.678 174.700 -0.103 0.000 1.038 376 T CA 1.282 63.356 62.100 -0.043 0.000 1.144 376 T CB -0.080 68.767 68.868 -0.034 0.000 0.866 376 T HN 0.344 nan 8.240 nan 0.000 0.434 377 R N 0.168 120.552 120.500 -0.194 0.000 2.100 377 R HA 0.265 4.605 4.340 0.001 0.000 0.220 377 R C 0.523 176.597 176.300 -0.376 0.000 1.091 377 R CA 0.743 56.682 56.100 -0.268 0.000 0.986 377 R CB 0.151 30.255 30.300 -0.326 0.000 0.888 377 R HN 0.335 nan 8.270 nan 0.000 0.444 378 I N 2.240 122.487 120.570 -0.538 0.000 2.782 378 I HA 0.169 4.339 4.170 0.001 0.000 0.279 378 I C -1.939 174.102 176.117 -0.128 0.000 1.247 378 I CA -1.604 59.335 61.300 -0.603 0.000 1.062 378 I CB 2.153 39.319 38.000 -1.391 0.000 1.421 378 I HN -0.103 nan 8.210 nan 0.000 0.558 379 P HA -0.009 nan 4.420 nan 0.000 0.224 379 P C 0.145 177.495 177.300 0.083 0.000 1.157 379 P CA 0.920 64.080 63.100 0.101 0.000 0.799 379 P CB 0.544 32.259 31.700 0.025 0.000 0.809 380 D N -0.015 120.437 120.400 0.088 0.000 2.440 380 D HA 0.468 5.109 4.640 0.001 0.000 0.239 380 D C -0.807 175.620 176.300 0.211 0.000 1.084 380 D CA -0.601 53.420 54.000 0.035 0.000 0.843 380 D CB 0.456 41.280 40.800 0.040 0.000 1.097 380 D HN -0.034 nan 8.370 nan 0.000 0.531 381 F N 0.609 120.619 119.950 0.100 0.000 2.773 381 F HA 0.757 5.284 4.527 0.001 0.000 0.314 381 F C -1.210 174.665 175.800 0.125 0.000 1.160 381 F CA -1.034 57.083 58.000 0.194 0.000 0.920 381 F CB 0.886 40.030 39.000 0.241 0.000 1.323 381 F HN 0.180 nan 8.300 nan 0.000 0.457 382 S N 0.187 116.114 115.700 0.379 0.000 2.587 382 S HA 0.651 5.122 4.470 0.001 0.000 0.269 382 S C -1.202 173.532 174.600 0.222 0.000 1.154 382 S CA -1.127 57.181 58.200 0.180 0.000 0.824 382 S CB 1.192 64.423 63.200 0.052 0.000 1.118 382 S HN 0.898 nan 8.310 nan 0.000 0.462 383 I N 2.141 122.787 120.570 0.126 0.000 2.683 383 I HA 0.285 4.456 4.170 0.001 0.000 0.286 383 I C 1.300 177.470 176.117 0.088 0.000 1.175 383 I CA -0.003 61.360 61.300 0.104 0.000 1.429 383 I CB 0.299 38.331 38.000 0.054 0.000 1.371 383 I HN 0.951 nan 8.210 nan 0.000 0.569 384 A N 8.544 131.417 122.820 0.087 0.000 2.609 384 A HA 0.103 4.423 4.320 0.001 0.000 0.232 384 A C -2.137 175.470 177.584 0.039 0.000 1.041 384 A CA -0.705 51.367 52.037 0.058 0.000 0.753 384 A CB -0.826 18.201 19.000 0.044 0.000 0.966 384 A HN 0.497 nan 8.150 nan 0.000 0.510 385 P HA 0.230 nan 4.420 nan 0.000 0.264 385 P C 0.736 178.045 177.300 0.015 0.000 1.183 385 P CA 1.851 64.962 63.100 0.018 0.000 0.763 385 P CB 0.311 32.019 31.700 0.012 0.000 0.807 386 G N 2.190 110.998 108.800 0.013 0.000 2.325 386 G HA2 0.080 4.041 3.960 0.001 0.000 0.274 386 G HA3 0.080 4.041 3.960 0.001 0.000 0.274 386 G C -0.058 174.850 174.900 0.013 0.000 0.921 386 G CA 0.085 45.191 45.100 0.010 0.000 1.340 386 G HN 0.781 nan 8.290 nan 0.000 0.447 387 A N 1.818 124.647 122.820 0.016 0.000 2.547 387 A HA 0.821 5.142 4.320 0.001 0.000 0.297 387 A C -0.368 177.226 177.584 0.016 0.000 1.056 387 A CA -0.574 51.474 52.037 0.019 0.000 0.688 387 A CB 1.400 20.416 19.000 0.027 0.000 1.282 387 A HN 0.562 nan 8.150 nan 0.000 0.400 388 Q N 1.864 121.673 119.800 0.015 0.000 2.333 388 Q HA 0.428 4.769 4.340 0.001 0.000 0.265 388 Q C -0.732 175.276 176.000 0.013 0.000 0.989 388 Q CA -0.799 55.008 55.803 0.008 0.000 0.842 388 Q CB 1.924 30.663 28.738 0.002 0.000 1.262 388 Q HN 0.641 nan 8.270 nan 0.000 0.451 389 I N 2.753 123.329 120.570 0.011 0.000 2.441 389 I HA 0.141 4.311 4.170 0.001 0.000 0.287 389 I C 0.292 176.409 176.117 0.000 0.000 1.049 389 I CA 0.073 61.393 61.300 0.033 0.000 1.381 389 I CB 0.638 38.679 38.000 0.069 0.000 1.409 389 I HN 0.517 nan 8.210 nan 0.000 0.523 390 Q N 5.509 125.344 119.800 0.059 0.000 2.274 390 Q HA 0.477 4.817 4.340 0.001 0.000 0.260 390 Q C -0.835 175.309 176.000 0.240 0.000 0.974 390 Q CA -0.593 55.248 55.803 0.065 0.000 0.876 390 Q CB 2.404 31.179 28.738 0.061 0.000 1.297 390 Q HN 0.597 nan 8.270 nan 0.000 0.446 391 H N 0.267 119.399 119.070 0.104 0.000 2.676 391 H HA 0.553 5.109 4.556 0.001 0.000 0.352 391 H C -0.612 174.799 175.328 0.140 0.000 1.193 391 H CA -1.098 55.039 56.048 0.148 0.000 1.243 391 H CB 1.701 31.621 29.762 0.264 0.000 1.751 391 H HN 0.184 nan 8.280 nan 0.000 0.567 392 K N 0.886 121.462 120.400 0.293 0.000 2.464 392 K HA 0.332 4.653 4.320 0.001 0.000 0.253 392 K C -1.151 175.611 176.600 0.270 0.000 0.933 392 K CA -0.625 55.796 56.287 0.223 0.000 0.801 392 K CB 2.981 35.572 32.500 0.151 0.000 1.271 392 K HN 0.399 nan 8.250 nan 0.000 0.430 393 S N 0.463 116.328 115.700 0.275 0.000 2.472 393 S HA 0.863 5.333 4.470 0.001 0.000 0.303 393 S C -0.396 174.393 174.600 0.315 0.000 1.099 393 S CA -0.204 58.208 58.200 0.353 0.000 1.077 393 S CB 1.322 64.780 63.200 0.430 0.000 1.031 393 S HN 0.857 nan 8.310 nan 0.000 0.487 394 G N 2.977 111.940 108.800 0.272 0.000 2.500 394 G HA2 0.267 4.228 3.960 0.001 0.000 0.299 394 G HA3 0.267 4.228 3.960 0.001 0.000 0.299 394 G C 0.273 175.179 174.900 0.008 0.000 1.242 394 G CA -0.508 44.701 45.100 0.182 0.000 0.859 394 G HN 0.535 nan 8.290 nan 0.000 0.481 395 I N -0.117 120.452 120.570 -0.002 0.000 2.264 395 I HA -0.010 4.160 4.170 0.001 0.000 0.248 395 I C 0.739 176.782 176.117 -0.123 0.000 1.111 395 I CA 1.516 62.706 61.300 -0.182 0.000 1.382 395 I CB -0.668 37.146 38.000 -0.310 0.000 1.060 395 I HN 0.003 nan 8.210 nan 0.000 0.418 396 V N 0.846 120.751 119.914 -0.014 0.000 2.488 396 V HA 0.247 4.368 4.120 0.001 0.000 0.293 396 V C 0.075 176.212 176.094 0.072 0.000 1.027 396 V CA -0.601 61.703 62.300 0.007 0.000 0.862 396 V CB 1.705 33.551 31.823 0.038 0.000 1.008 396 V HN 0.076 nan 8.190 nan 0.000 0.428 397 S N 2.702 118.451 115.700 0.081 0.000 2.603 397 S HA 0.822 5.293 4.470 0.001 0.000 0.268 397 S C 0.525 175.289 174.600 0.272 0.000 1.317 397 S CA 0.155 58.472 58.200 0.196 0.000 1.012 397 S CB 1.652 64.965 63.200 0.188 0.000 0.926 397 S HN 1.117 nan 8.310 nan 0.000 0.539 398 G N -0.176 108.732 108.800 0.180 0.000 2.721 398 G HA2 0.586 4.546 3.960 0.001 0.000 0.296 398 G HA3 0.586 4.546 3.960 0.001 0.000 0.296 398 G C -1.737 172.952 174.900 -0.353 0.000 1.383 398 G CA -0.524 44.476 45.100 -0.167 0.000 0.788 398 G HN 0.615 nan 8.290 nan 0.000 0.500 399 V N 0.739 120.345 119.914 -0.513 0.000 2.459 399 V HA 0.303 4.423 4.120 0.001 0.000 0.295 399 V C 1.320 177.354 176.094 -0.099 0.000 1.029 399 V CA -0.301 61.813 62.300 -0.310 0.000 0.874 399 V CB 1.449 33.010 31.823 -0.437 0.000 0.985 399 V HN 0.966 nan 8.190 nan 0.000 0.438 400 Q N 3.675 123.485 119.800 0.016 0.000 2.084 400 Q HA 0.081 4.422 4.340 0.001 0.000 0.202 400 Q C 0.563 176.577 176.000 0.024 0.000 0.978 400 Q CA 1.623 57.444 55.803 0.030 0.000 0.844 400 Q CB 0.284 29.058 28.738 0.060 0.000 0.898 400 Q HN 0.945 nan 8.270 nan 0.000 0.426 401 A N -0.297 122.544 122.820 0.034 0.000 2.599 401 A HA 0.525 4.845 4.320 0.001 0.000 0.294 401 A C -2.063 175.558 177.584 0.061 0.000 1.055 401 A CA -0.675 51.389 52.037 0.045 0.000 0.683 401 A CB 1.421 20.448 19.000 0.047 0.000 1.278 401 A HN 0.186 nan 8.150 nan 0.000 0.412 402 L N 2.174 123.450 121.223 0.089 0.000 2.490 402 L HA 0.531 4.871 4.340 0.001 0.000 0.256 402 L C -2.801 174.145 176.870 0.127 0.000 1.089 402 L CA -1.469 53.430 54.840 0.098 0.000 0.916 402 L CB 1.588 43.707 42.059 0.100 0.000 1.188 402 L HN 0.340 nan 8.230 nan 0.000 0.476 403 P HA 0.283 nan 4.420 nan 0.000 0.275 403 P C -0.956 176.423 177.300 0.131 0.000 1.276 403 P CA 0.274 63.438 63.100 0.106 0.000 0.782 403 P CB 0.507 32.249 31.700 0.070 0.000 0.851 404 L N 4.038 125.377 121.223 0.193 0.000 2.334 404 L HA 0.765 5.106 4.340 0.001 0.000 0.273 404 L C 0.261 177.297 176.870 0.277 0.000 1.013 404 L CA -1.162 53.848 54.840 0.284 0.000 0.816 404 L CB 2.030 44.305 42.059 0.360 0.000 1.278 404 L HN 0.142 nan 8.230 nan 0.000 0.431 405 V N -0.999 119.105 119.914 0.315 0.000 3.007 405 V HA 0.824 4.944 4.120 0.001 0.000 0.311 405 V C -1.619 174.699 176.094 0.373 0.000 1.120 405 V CA -0.593 61.777 62.300 0.117 0.000 0.980 405 V CB 1.812 33.643 31.823 0.014 0.000 1.033 405 V HN 0.989 nan 8.190 nan 0.000 0.429 406 W N 0.887 122.251 121.300 0.107 0.000 3.059 406 W HA 0.744 5.405 4.660 0.001 0.000 0.329 406 W C -1.851 174.700 176.519 0.055 0.000 1.246 406 W CA -0.647 56.762 57.345 0.105 0.000 1.190 406 W CB 0.833 30.383 29.460 0.149 0.000 1.423 406 W HN 0.740 nan 8.180 nan 0.000 0.571 407 D N 1.848 122.416 120.400 0.279 0.000 2.280 407 D HA 0.395 5.036 4.640 0.001 0.000 0.243 407 D C -1.535 174.923 176.300 0.263 0.000 1.129 407 D CA -2.419 51.670 54.000 0.149 0.000 0.848 407 D CB 2.083 42.948 40.800 0.109 0.000 1.107 407 D HN 0.059 nan 8.370 nan 0.000 0.471 408 P HA -0.145 nan 4.420 nan 0.000 0.216 408 P C 1.007 178.390 177.300 0.138 0.000 1.150 408 P CA 1.661 64.883 63.100 0.204 0.000 0.843 408 P CB 0.143 31.895 31.700 0.086 0.000 0.787 409 A N -0.450 122.425 122.820 0.091 0.000 2.024 409 A HA -0.217 4.103 4.320 0.001 0.000 0.220 409 A C 2.181 179.801 177.584 0.060 0.000 1.164 409 A CA 2.448 54.521 52.037 0.060 0.000 0.643 409 A CB -1.909 17.117 19.000 0.043 0.000 0.806 409 A HN 0.376 nan 8.150 nan 0.000 0.451 410 T N -2.271 112.335 114.554 0.087 0.000 3.067 410 T HA 0.065 4.416 4.350 0.001 0.000 0.261 410 T C 1.086 175.807 174.700 0.035 0.000 1.110 410 T CA 0.981 63.120 62.100 0.064 0.000 1.113 410 T CB -1.130 67.789 68.868 0.085 0.000 0.917 410 T HN 0.603 nan 8.240 nan 0.000 0.499 411 T N 0.505 115.085 114.554 0.043 0.000 2.766 411 T HA 0.482 4.832 4.350 0.001 0.000 0.295 411 T C -0.428 174.246 174.700 -0.043 0.000 1.024 411 T CA -0.718 61.358 62.100 -0.041 0.000 1.018 411 T CB 0.822 69.662 68.868 -0.046 0.000 1.002 411 T HN 0.437 nan 8.240 nan 0.000 0.532 412 K N -0.133 120.216 120.400 -0.084 0.000 2.477 412 K HA 0.688 5.008 4.320 0.001 0.000 0.255 412 K C -1.342 175.213 176.600 -0.075 0.000 0.952 412 K CA -1.201 55.049 56.287 -0.061 0.000 0.826 412 K CB 2.595 35.064 32.500 -0.053 0.000 1.331 412 K HN 0.795 nan 8.250 nan 0.000 0.437 413 A N 1.721 124.511 122.820 -0.049 0.000 2.330 413 A HA 0.678 4.998 4.320 0.001 0.000 0.313 413 A C -0.585 176.979 177.584 -0.033 0.000 1.124 413 A CA -0.588 51.422 52.037 -0.046 0.000 0.774 413 A CB 0.798 19.780 19.000 -0.030 0.000 1.198 413 A HN 0.369 nan 8.150 nan 0.000 0.465 414 V N 0.000 119.894 119.914 -0.034 0.000 2.409 414 V HA 0.000 4.120 4.120 0.001 0.000 0.244 414 V CA 0.000 62.288 62.300 -0.020 0.000 1.235 414 V CB 0.000 31.811 31.823 -0.020 0.000 1.184 414 V HN 0.000 nan 8.190 nan 0.000 0.556