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 1dz4_1_A DATA FIRST_RESID 11 DATA SEQUENCE LAPLPPHVPE HLVFDFDMYN PSNLSAGVQE AWAVLQESNV PDLVWTRCNG DATA SEQUENCE GHWIATRGQL IREAYEDYRH FSSECPFIPR EAGEAYDFIP TSMDPPEQRQ DATA SEQUENCE FRALANQVVG MPVVDKLENR IQELACSLIE SLRPQGQCNF TEDYAEPFPI DATA SEQUENCE RIFMLLAGLP EEDIPHLKYL TDQMTRPDGS MTFAEAKEAL YDYLIPIIEQ DATA SEQUENCE RRQKPGTDAI SIVANGQVNG RPITSDEAKR MCGLLLVGGL DTVVNFLSFS DATA SEQUENCE MEFLAKSPEH RQELIQRPER IPAACEELLR RFSLVADGRI LTSDYEFHGV DATA SEQUENCE QLKKGDQILL PQMLSGLDER ENACPMHVDF SRQKVSHTTF GHGSHLCLGQ DATA SEQUENCE HLARREIIVT LKEWLTRIPD FSIAPGAQIQ HKSGIVSGVQ ALPLVWDPAT DATA SEQUENCE TKAV 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 11 L HA 0.000 nan 4.340 nan 0.000 0.249 11 L C 0.000 176.879 176.870 0.014 0.000 1.165 11 L CA 0.000 54.836 54.840 -0.006 0.000 0.813 11 L CB 0.000 42.052 42.059 -0.011 0.000 0.961 12 A N 3.858 126.698 122.820 0.033 0.000 2.316 12 A HA 0.859 5.182 4.320 0.005 0.000 0.284 12 A C -2.243 175.384 177.584 0.073 0.000 1.115 12 A CA -1.183 50.889 52.037 0.057 0.000 0.812 12 A CB -0.015 19.034 19.000 0.080 0.000 1.064 12 A HN 0.507 nan 8.150 nan 0.000 0.489 13 P HA 0.082 nan 4.420 nan 0.000 0.260 13 P C -0.387 176.925 177.300 0.020 0.000 1.185 13 P CA -0.103 63.015 63.100 0.031 0.000 0.763 13 P CB 0.123 31.835 31.700 0.021 0.000 0.776 14 L N 7.745 128.954 121.223 -0.023 0.000 2.615 14 L HA 0.130 4.474 4.340 0.005 0.000 0.271 14 L C -1.978 174.763 176.870 -0.215 0.000 1.183 14 L CA -1.274 53.481 54.840 -0.141 0.000 0.933 14 L CB -0.820 41.153 42.059 -0.144 0.000 1.199 14 L HN 0.311 nan 8.230 nan 0.000 0.487 15 P HA 0.163 nan 4.420 nan 0.000 0.268 15 P C -2.124 175.011 177.300 -0.275 0.000 1.205 15 P CA -1.097 61.825 63.100 -0.297 0.000 0.771 15 P CB 0.147 31.596 31.700 -0.418 0.000 0.858 16 P HA -0.244 nan 4.420 nan 0.000 0.216 16 P C 1.354 178.638 177.300 -0.027 0.000 1.154 16 P CA 1.679 64.758 63.100 -0.035 0.000 0.865 16 P CB -0.473 31.243 31.700 0.027 0.000 0.789 17 H N -1.675 117.335 119.070 -0.099 0.000 2.524 17 H HA 0.048 4.607 4.556 0.005 0.000 0.282 17 H C 0.105 175.394 175.328 -0.065 0.000 1.016 17 H CA 0.453 56.469 56.048 -0.054 0.000 1.270 17 H CB -1.109 28.649 29.762 -0.007 0.000 1.394 17 H HN -0.048 nan 8.280 nan 0.000 0.568 18 V N 5.606 125.146 119.914 -0.624 0.000 2.385 18 V HA 0.190 4.313 4.120 0.005 0.000 0.269 18 V C -1.939 173.986 176.094 -0.283 0.000 1.043 18 V CA -1.597 60.366 62.300 -0.562 0.000 0.906 18 V CB 1.310 32.430 31.823 -1.171 0.000 0.995 18 V HN 0.243 nan 8.190 nan 0.000 0.467 19 P HA 0.190 nan 4.420 nan 0.000 0.271 19 P C 0.518 177.796 177.300 -0.035 0.000 1.216 19 P CA -0.162 62.939 63.100 0.002 0.000 0.771 19 P CB 1.399 33.197 31.700 0.164 0.000 0.864 20 E N 1.222 121.435 120.200 0.023 0.000 2.147 20 E HA -0.261 4.092 4.350 0.005 0.000 0.199 20 E C 1.846 178.489 176.600 0.072 0.000 1.005 20 E CA 1.585 58.001 56.400 0.026 0.000 0.810 20 E CB -0.516 29.210 29.700 0.043 0.000 0.736 20 E HN 0.629 nan 8.360 nan 0.000 0.460 21 H N -0.146 118.944 119.070 0.032 0.000 2.545 21 H HA -0.045 4.514 4.556 0.005 0.000 0.282 21 H C 1.412 176.796 175.328 0.094 0.000 1.020 21 H CA 0.831 56.911 56.048 0.054 0.000 1.243 21 H CB -0.189 29.599 29.762 0.044 0.000 1.377 21 H HN 0.232 nan 8.280 nan 0.000 0.581 22 L N 1.434 122.495 121.223 -0.270 0.000 2.628 22 L HA 0.184 4.528 4.340 0.005 0.000 0.229 22 L C 0.175 177.104 176.870 0.100 0.000 1.137 22 L CA -0.288 54.495 54.840 -0.096 0.000 0.909 22 L CB 0.651 42.691 42.059 -0.031 0.000 1.137 22 L HN -0.029 nan 8.230 nan 0.000 0.470 23 V N 0.809 120.776 119.914 0.089 0.000 2.488 23 V HA 0.099 4.222 4.120 0.005 0.000 0.277 23 V C -0.583 175.619 176.094 0.179 0.000 1.046 23 V CA 0.087 62.471 62.300 0.140 0.000 0.986 23 V CB 0.991 32.865 31.823 0.085 0.000 0.989 23 V HN 0.085 nan 8.190 nan 0.000 0.475 24 F N 3.900 123.859 119.950 0.017 0.000 2.831 24 F HA 0.422 4.952 4.527 0.005 0.000 0.346 24 F C 0.003 175.790 175.800 -0.022 0.000 1.224 24 F CA -0.931 57.070 58.000 0.002 0.000 1.048 24 F CB 1.466 40.467 39.000 0.002 0.000 1.339 24 F HN 0.500 nan 8.300 nan 0.000 0.514 25 D N 6.332 126.671 120.400 -0.102 0.000 2.767 25 D HA 0.007 4.650 4.640 0.005 0.000 0.231 25 D C -0.214 176.073 176.300 -0.023 0.000 1.105 25 D CA 0.393 54.349 54.000 -0.073 0.000 1.024 25 D CB -0.420 40.303 40.800 -0.129 0.000 1.123 25 D HN 0.279 nan 8.370 nan 0.000 0.470 26 F N 1.677 121.639 119.950 0.020 0.000 2.456 26 F HA 0.117 4.647 4.527 0.005 0.000 0.358 26 F C 0.482 176.195 175.800 -0.145 0.000 1.095 26 F CA -0.613 57.378 58.000 -0.016 0.000 1.216 26 F CB 0.791 39.819 39.000 0.047 0.000 1.125 26 F HN -0.140 nan 8.300 nan 0.000 0.549 27 D N 7.207 127.131 120.400 -0.793 0.000 2.412 27 D HA 0.107 4.750 4.640 0.005 0.000 0.224 27 D C 0.884 176.667 176.300 -0.861 0.000 1.093 27 D CA -0.461 53.203 54.000 -0.560 0.000 0.850 27 D CB 1.031 41.634 40.800 -0.329 0.000 1.046 27 D HN 0.743 nan 8.370 nan 0.000 0.507 28 M N 2.237 121.522 119.600 -0.525 0.000 2.460 28 M HA -0.076 4.408 4.480 0.005 0.000 0.263 28 M C 0.191 176.291 176.300 -0.334 0.000 1.071 28 M CA 1.183 56.192 55.300 -0.485 0.000 1.096 28 M CB -0.147 32.350 32.600 -0.172 0.000 1.408 28 M HN 0.198 nan 8.290 nan 0.000 0.463 29 Y N 0.797 121.046 120.300 -0.085 0.000 2.457 29 Y HA 0.300 4.853 4.550 0.005 0.000 0.263 29 Y C 0.409 176.283 175.900 -0.043 0.000 1.164 29 Y CA 0.016 58.109 58.100 -0.012 0.000 1.274 29 Y CB 0.326 38.782 38.460 -0.007 0.000 1.097 29 Y HN 0.481 nan 8.280 nan 0.000 0.523 30 N N 0.660 119.342 118.700 -0.030 0.000 2.926 30 N HA 0.087 4.830 4.740 0.005 0.000 0.201 30 N C -3.226 172.164 175.510 -0.199 0.000 1.419 30 N CA -0.969 52.047 53.050 -0.057 0.000 0.838 30 N CB 0.821 39.299 38.487 -0.015 0.000 1.534 30 N HN -0.202 nan 8.380 nan 0.000 0.569 31 P HA 0.107 nan 4.420 nan 0.000 0.271 31 P C 0.603 177.795 177.300 -0.181 0.000 1.216 31 P CA 0.026 62.862 63.100 -0.441 0.000 0.776 31 P CB 1.405 32.805 31.700 -0.500 0.000 0.881 32 S N 2.092 117.698 115.700 -0.157 0.000 2.402 32 S HA -0.188 4.285 4.470 0.005 0.000 0.233 32 S C 1.073 175.667 174.600 -0.009 0.000 1.030 32 S CA 1.703 59.863 58.200 -0.066 0.000 1.003 32 S CB -0.758 62.411 63.200 -0.053 0.000 0.813 32 S HN 0.628 nan 8.310 nan 0.000 0.477 33 N N 0.661 119.379 118.700 0.029 0.000 2.279 33 N HA 0.268 5.011 4.740 0.005 0.000 0.226 33 N C 0.958 176.512 175.510 0.074 0.000 1.126 33 N CA -0.191 52.894 53.050 0.058 0.000 0.846 33 N CB 0.185 38.724 38.487 0.088 0.000 1.050 33 N HN 0.093 nan 8.380 nan 0.000 0.502 34 L N 1.116 122.378 121.223 0.064 0.000 2.089 34 L HA -0.253 4.090 4.340 0.005 0.000 0.213 34 L C 2.220 179.134 176.870 0.074 0.000 1.079 34 L CA 1.749 56.650 54.840 0.100 0.000 0.758 34 L CB -0.761 41.351 42.059 0.089 0.000 0.891 34 L HN 0.276 nan 8.230 nan 0.000 0.433 35 S N -1.200 114.523 115.700 0.039 0.000 2.469 35 S HA -0.057 4.416 4.470 0.005 0.000 0.238 35 S C 1.849 176.450 174.600 0.002 0.000 0.998 35 S CA 0.668 58.875 58.200 0.012 0.000 0.957 35 S CB -0.730 62.477 63.200 0.011 0.000 0.764 35 S HN 0.494 nan 8.310 nan 0.000 0.514 36 A N 0.830 123.668 122.820 0.030 0.000 2.251 36 A HA 0.605 4.928 4.320 0.005 0.000 0.209 36 A C 1.138 178.747 177.584 0.041 0.000 1.187 36 A CA 0.278 52.336 52.037 0.034 0.000 0.823 36 A CB -0.650 18.383 19.000 0.055 0.000 0.846 36 A HN 1.569 nan 8.150 nan 0.000 0.486 37 G N -2.227 106.596 108.800 0.039 0.000 2.627 37 G HA2 0.122 4.085 3.960 0.005 0.000 0.680 37 G HA3 0.122 4.085 3.960 0.005 0.000 0.680 37 G C 0.341 175.426 174.900 0.308 0.000 1.341 37 G CA -0.173 44.995 45.100 0.114 0.000 0.835 37 G HN 0.809 nan 8.290 nan 0.000 0.643 38 V N 1.380 121.648 119.914 0.591 0.000 2.427 38 V HA -0.130 3.993 4.120 0.005 0.000 0.248 38 V C 2.581 178.883 176.094 0.347 0.000 1.051 38 V CA 3.262 65.838 62.300 0.460 0.000 1.048 38 V CB -0.189 31.907 31.823 0.454 0.000 0.666 38 V HN 0.778 nan 8.190 nan 0.000 0.456 39 Q N -0.120 119.775 119.800 0.158 0.000 2.172 39 Q HA -0.152 4.191 4.340 0.005 0.000 0.200 39 Q C 2.060 178.135 176.000 0.124 0.000 0.964 39 Q CA 1.760 57.588 55.803 0.041 0.000 0.855 39 Q CB -0.220 28.434 28.738 -0.140 0.000 0.918 39 Q HN 0.684 nan 8.270 nan 0.000 0.444 40 E N 0.317 120.603 120.200 0.143 0.000 2.106 40 E HA -0.110 4.243 4.350 0.005 0.000 0.192 40 E C 1.826 178.531 176.600 0.176 0.000 0.984 40 E CA 1.129 57.604 56.400 0.125 0.000 0.806 40 E CB -0.331 29.434 29.700 0.108 0.000 0.750 40 E HN 0.393 nan 8.360 nan 0.000 0.458 41 A N 0.166 123.134 122.820 0.246 0.000 1.883 41 A HA -0.189 4.135 4.320 0.005 0.000 0.217 41 A C 1.788 179.576 177.584 0.341 0.000 1.186 41 A CA 1.492 53.692 52.037 0.271 0.000 0.624 41 A CB -1.071 18.100 19.000 0.285 0.000 0.822 41 A HN 0.384 nan 8.150 nan 0.000 0.444 42 W N -0.495 120.911 121.300 0.177 0.000 2.467 42 W HA 0.168 4.831 4.660 0.005 0.000 0.275 42 W C 2.562 179.006 176.519 -0.124 0.000 1.239 42 W CA 0.937 58.309 57.345 0.045 0.000 1.266 42 W CB -0.217 29.243 29.460 0.000 0.000 1.112 42 W HN 0.375 nan 8.180 nan 0.000 0.576 43 A N 0.354 123.264 122.820 0.149 0.000 2.168 43 A HA -0.055 4.268 4.320 0.005 0.000 0.215 43 A C 1.972 179.555 177.584 -0.001 0.000 1.152 43 A CA 1.523 53.581 52.037 0.034 0.000 0.716 43 A CB -1.127 17.889 19.000 0.026 0.000 0.794 43 A HN 0.237 nan 8.150 nan 0.000 0.465 44 V N -2.277 117.660 119.914 0.038 0.000 2.759 44 V HA -0.142 3.981 4.120 0.005 0.000 0.256 44 V C 1.905 177.951 176.094 -0.079 0.000 1.080 44 V CA 1.756 64.089 62.300 0.055 0.000 1.101 44 V CB -0.945 30.987 31.823 0.182 0.000 0.698 44 V HN 0.440 nan 8.190 nan 0.000 0.477 45 L N -0.162 120.893 121.223 -0.279 0.000 2.549 45 L HA -0.006 4.337 4.340 0.005 0.000 0.229 45 L C 2.375 179.051 176.870 -0.322 0.000 1.158 45 L CA 1.173 55.697 54.840 -0.526 0.000 0.842 45 L CB -0.468 41.222 42.059 -0.615 0.000 0.952 45 L HN 0.439 nan 8.230 nan 0.000 0.452 46 Q N -0.832 118.860 119.800 -0.180 0.000 2.179 46 Q HA 0.146 4.489 4.340 0.005 0.000 0.213 46 Q C -0.020 175.935 176.000 -0.076 0.000 0.833 46 Q CA -0.195 55.535 55.803 -0.122 0.000 0.990 46 Q CB 0.723 29.405 28.738 -0.093 0.000 1.132 46 Q HN 0.472 nan 8.270 nan 0.000 0.493 47 E N 0.560 120.725 120.200 -0.058 0.000 2.410 47 E HA -0.015 4.338 4.350 0.005 0.000 0.255 47 E C 1.005 177.597 176.600 -0.015 0.000 1.194 47 E CA 0.378 56.770 56.400 -0.015 0.000 0.955 47 E CB 0.742 30.457 29.700 0.025 0.000 0.988 47 E HN 0.164 nan 8.360 nan 0.000 0.461 48 S N 1.798 117.498 115.700 0.001 0.000 2.372 48 S HA -0.277 4.197 4.470 0.005 0.000 0.227 48 S C 1.349 175.956 174.600 0.011 0.000 1.044 48 S CA 1.826 60.027 58.200 0.002 0.000 1.050 48 S CB -0.592 62.613 63.200 0.007 0.000 0.901 48 S HN 0.693 nan 8.310 nan 0.000 0.447 49 N N 1.680 120.398 118.700 0.031 0.000 2.573 49 N HA -0.027 4.716 4.740 0.005 0.000 0.187 49 N C -0.011 175.536 175.510 0.061 0.000 1.107 49 N CA 0.495 53.576 53.050 0.052 0.000 0.918 49 N CB -0.379 38.154 38.487 0.077 0.000 0.966 49 N HN 0.376 nan 8.380 nan 0.000 0.448 50 V N 3.040 122.965 119.914 0.018 0.000 2.439 50 V HA 0.296 4.419 4.120 0.005 0.000 0.282 50 V C -1.861 174.204 176.094 -0.049 0.000 1.039 50 V CA -1.633 60.650 62.300 -0.028 0.000 0.913 50 V CB 1.310 33.011 31.823 -0.204 0.000 0.983 50 V HN 0.092 nan 8.190 nan 0.000 0.460 51 P HA 0.183 nan 4.420 nan 0.000 0.272 51 P C 0.162 177.423 177.300 -0.064 0.000 1.230 51 P CA -0.265 62.826 63.100 -0.015 0.000 0.788 51 P CB 0.880 32.598 31.700 0.030 0.000 0.949 52 D N -0.415 119.943 120.400 -0.070 0.000 2.218 52 D HA -0.063 4.580 4.640 0.005 0.000 0.204 52 D C 0.397 176.631 176.300 -0.109 0.000 0.976 52 D CA 1.449 55.381 54.000 -0.114 0.000 0.853 52 D CB -0.092 40.617 40.800 -0.152 0.000 0.939 52 D HN 0.107 nan 8.370 nan 0.000 0.481 53 L N 0.490 121.682 121.223 -0.051 0.000 2.491 53 L HA 0.315 4.658 4.340 0.005 0.000 0.267 53 L C -0.838 176.133 176.870 0.168 0.000 0.971 53 L CA -0.983 53.874 54.840 0.028 0.000 0.857 53 L CB 1.712 43.748 42.059 -0.037 0.000 1.226 53 L HN -0.175 nan 8.230 nan 0.000 0.408 54 V N 1.533 121.583 119.914 0.226 0.000 3.019 54 V HA 0.681 4.804 4.120 0.005 0.000 0.317 54 V C -1.091 175.239 176.094 0.393 0.000 1.094 54 V CA -0.766 61.696 62.300 0.269 0.000 1.000 54 V CB 2.087 33.957 31.823 0.077 0.000 1.060 54 V HN 0.912 nan 8.190 nan 0.000 0.443 55 W N 2.174 123.475 121.300 0.002 0.000 2.532 55 W HA 0.633 5.297 4.660 0.006 0.000 0.321 55 W C -0.882 175.496 176.519 -0.235 0.000 1.037 55 W CA -0.254 56.880 57.345 -0.352 0.000 1.220 55 W CB 1.891 30.923 29.460 -0.713 0.000 1.361 55 W HN 0.853 nan 8.180 nan 0.000 0.468 56 T N 5.229 119.276 114.554 -0.846 0.000 2.859 56 T HA 0.386 4.739 4.350 0.005 0.000 0.281 56 T C 0.932 175.191 174.700 -0.736 0.000 1.005 56 T CA -0.448 61.312 62.100 -0.567 0.000 1.025 56 T CB 1.187 69.767 68.868 -0.480 0.000 0.977 56 T HN 0.626 nan 8.240 nan 0.000 0.458 57 R N 1.888 122.237 120.500 -0.251 0.000 2.310 57 R HA 0.204 4.548 4.340 0.005 0.000 0.202 57 R C 0.477 176.708 176.300 -0.116 0.000 0.933 57 R CA -0.189 55.858 56.100 -0.087 0.000 1.054 57 R CB -0.271 30.058 30.300 0.049 0.000 0.985 57 R HN 0.538 nan 8.270 nan 0.000 0.489 58 C N 1.336 120.533 119.300 -0.171 0.000 2.604 58 C HA 0.130 4.593 4.460 0.005 0.000 0.396 58 C C 0.836 175.806 174.990 -0.034 0.000 1.282 58 C CA -0.484 58.478 59.018 -0.093 0.000 2.292 58 C CB -0.006 27.675 27.740 -0.097 0.000 2.633 58 C HN 0.677 nan 8.230 nan 0.000 0.620 59 N N 0.591 119.312 118.700 0.034 0.000 2.727 59 N HA -0.144 4.600 4.740 0.005 0.000 0.249 59 N C 0.755 176.317 175.510 0.087 0.000 1.048 59 N CA 0.882 53.989 53.050 0.095 0.000 0.714 59 N CB -1.164 37.446 38.487 0.205 0.000 0.959 59 N HN 1.399 nan 8.380 nan 0.000 0.544 60 G N -1.770 107.057 108.800 0.045 0.000 2.199 60 G HA2 0.075 4.038 3.960 0.005 0.000 0.254 60 G HA3 0.075 4.038 3.960 0.005 0.000 0.254 60 G C 0.569 175.493 174.900 0.041 0.000 0.982 60 G CA 0.390 45.521 45.100 0.051 0.000 0.632 60 G HN 1.635 nan 8.290 nan 0.000 0.529 61 G N -0.847 107.906 108.800 -0.079 0.000 3.190 61 G HA2 0.568 4.531 3.960 0.005 0.000 0.686 61 G HA3 0.568 4.531 3.960 0.005 0.000 0.686 61 G C -0.527 173.953 174.900 -0.701 0.000 1.033 61 G CA 0.601 45.473 45.100 -0.379 0.000 0.797 61 G HN 2.882 nan 8.290 nan 0.000 0.567 62 H N -1.753 116.374 119.070 -1.571 0.000 3.005 62 H HA 0.616 5.175 4.556 0.005 0.000 0.311 62 H C -0.609 174.035 175.328 -1.138 0.000 1.366 62 H CA -1.578 53.745 56.048 -1.208 0.000 1.210 62 H CB 0.050 29.560 29.762 -0.419 0.000 1.894 62 H HN 0.690 nan 8.280 nan 0.000 0.520 63 W N 1.086 122.278 121.300 -0.181 0.000 2.161 63 W HA 0.569 5.232 4.660 0.005 0.000 0.344 63 W C -0.165 176.395 176.519 0.069 0.000 1.262 63 W CA -0.498 56.871 57.345 0.040 0.000 1.270 63 W CB 0.720 30.313 29.460 0.221 0.000 1.126 63 W HN 0.435 nan 8.180 nan 0.000 0.598 64 I N 2.704 123.461 120.570 0.311 0.000 2.500 64 I HA 0.339 4.512 4.170 0.005 0.000 0.286 64 I C -0.284 175.884 176.117 0.085 0.000 1.063 64 I CA -1.118 60.271 61.300 0.148 0.000 1.062 64 I CB 1.234 39.235 38.000 0.002 0.000 1.223 64 I HN 0.442 nan 8.210 nan 0.000 0.435 65 A N 3.501 126.342 122.820 0.034 0.000 2.354 65 A HA 0.471 4.794 4.320 0.005 0.000 0.281 65 A C 1.019 178.555 177.584 -0.080 0.000 1.174 65 A CA -0.156 51.859 52.037 -0.035 0.000 0.828 65 A CB 0.168 19.128 19.000 -0.067 0.000 1.099 65 A HN 0.849 nan 8.150 nan 0.000 0.516 66 T N -0.018 114.465 114.554 -0.118 0.000 3.060 66 T HA 0.220 4.574 4.350 0.005 0.000 0.249 66 T C 0.701 175.323 174.700 -0.131 0.000 1.079 66 T CA 0.014 62.025 62.100 -0.147 0.000 1.013 66 T CB 0.068 68.813 68.868 -0.205 0.000 0.975 66 T HN 0.529 nan 8.240 nan 0.000 0.518 67 R N 0.087 120.507 120.500 -0.133 0.000 2.778 67 R HA 0.591 4.934 4.340 0.005 0.000 0.277 67 R C 1.551 177.781 176.300 -0.118 0.000 0.977 67 R CA -0.238 55.788 56.100 -0.123 0.000 0.950 67 R CB 1.161 31.381 30.300 -0.132 0.000 1.165 67 R HN 0.215 nan 8.270 nan 0.000 0.474 68 G N 0.772 109.511 108.800 -0.100 0.000 2.440 68 G HA2 -0.344 3.619 3.960 0.005 0.000 0.218 68 G HA3 -0.344 3.619 3.960 0.005 0.000 0.218 68 G C 1.148 175.983 174.900 -0.108 0.000 1.154 68 G CA 0.959 46.000 45.100 -0.099 0.000 0.767 68 G HN 0.554 nan 8.290 nan 0.000 0.552 69 Q N -0.137 119.602 119.800 -0.103 0.000 2.077 69 Q HA -0.090 4.253 4.340 0.005 0.000 0.206 69 Q C 2.344 178.282 176.000 -0.104 0.000 0.989 69 Q CA 1.406 57.157 55.803 -0.087 0.000 0.853 69 Q CB -0.399 28.294 28.738 -0.074 0.000 0.907 69 Q HN 0.395 nan 8.270 nan 0.000 0.418 70 L N -0.377 120.727 121.223 -0.198 0.000 2.072 70 L HA -0.052 4.292 4.340 0.005 0.000 0.205 70 L C 2.234 179.061 176.870 -0.072 0.000 1.079 70 L CA 1.255 55.967 54.840 -0.214 0.000 0.752 70 L CB -0.481 41.365 42.059 -0.354 0.000 0.906 70 L HN 0.290 nan 8.230 nan 0.000 0.436 71 I N -0.882 119.619 120.570 -0.114 0.000 2.142 71 I HA -0.314 3.859 4.170 0.005 0.000 0.240 71 I C 2.653 178.729 176.117 -0.068 0.000 1.078 71 I CA 1.262 62.488 61.300 -0.123 0.000 1.343 71 I CB -0.274 37.694 38.000 -0.054 0.000 1.046 71 I HN 0.174 nan 8.210 nan 0.000 0.405 72 R N 0.398 120.841 120.500 -0.095 0.000 2.080 72 R HA -0.214 4.129 4.340 0.005 0.000 0.236 72 R C 2.299 178.657 176.300 0.096 0.000 1.137 72 R CA 1.681 57.670 56.100 -0.185 0.000 0.943 72 R CB -0.462 29.611 30.300 -0.378 0.000 0.846 72 R HN 0.388 nan 8.270 nan 0.000 0.431 73 E N 0.353 120.613 120.200 0.100 0.000 2.085 73 E HA -0.224 4.129 4.350 0.005 0.000 0.194 73 E C 1.957 178.663 176.600 0.177 0.000 0.994 73 E CA 1.338 57.870 56.400 0.219 0.000 0.801 73 E CB -0.039 29.859 29.700 0.329 0.000 0.743 73 E HN 0.412 nan 8.360 nan 0.000 0.453 74 A N -0.164 122.608 122.820 -0.080 0.000 1.969 74 A HA -0.153 4.171 4.320 0.005 0.000 0.218 74 A C 1.760 179.167 177.584 -0.295 0.000 1.169 74 A CA 1.001 52.670 52.037 -0.613 0.000 0.635 74 A CB -0.611 17.599 19.000 -1.317 0.000 0.810 74 A HN 0.325 nan 8.150 nan 0.000 0.445 75 Y N 0.317 120.633 120.300 0.027 0.000 2.352 75 Y HA -0.094 4.460 4.550 0.005 0.000 0.292 75 Y C 2.332 178.380 175.900 0.247 0.000 1.136 75 Y CA 1.431 59.629 58.100 0.162 0.000 1.227 75 Y CB -0.304 38.300 38.460 0.239 0.000 0.991 75 Y HN 0.461 nan 8.280 nan 0.000 0.545 76 E N -0.646 119.792 120.200 0.396 0.000 2.107 76 E HA -0.146 4.207 4.350 0.005 0.000 0.191 76 E C 0.455 177.215 176.600 0.267 0.000 0.982 76 E CA 1.000 57.589 56.400 0.316 0.000 0.809 76 E CB 0.033 29.899 29.700 0.278 0.000 0.756 76 E HN 0.138 nan 8.360 nan 0.000 0.459 77 D N 0.091 120.639 120.400 0.247 0.000 2.563 77 D HA -0.026 4.617 4.640 0.005 0.000 0.222 77 D C 0.245 176.632 176.300 0.146 0.000 1.145 77 D CA -0.442 53.645 54.000 0.146 0.000 1.001 77 D CB -0.141 40.810 40.800 0.252 0.000 1.049 77 D HN 0.193 nan 8.370 nan 0.000 0.515 78 Y N 1.098 121.490 120.300 0.154 0.000 2.616 78 Y HA 0.105 4.658 4.550 0.005 0.000 0.296 78 Y C 1.686 177.594 175.900 0.012 0.000 1.154 78 Y CA 0.232 58.406 58.100 0.123 0.000 1.325 78 Y CB -0.304 38.239 38.460 0.139 0.000 1.007 78 Y HN 0.093 nan 8.280 nan 0.000 0.542 79 R N -0.251 120.037 120.500 -0.352 0.000 2.093 79 R HA -0.042 4.302 4.340 0.005 0.000 0.224 79 R C 1.334 177.346 176.300 -0.479 0.000 1.101 79 R CA 1.731 57.602 56.100 -0.380 0.000 0.979 79 R CB -0.405 29.586 30.300 -0.515 0.000 0.877 79 R HN 0.537 nan 8.270 nan 0.000 0.441 80 H N -1.401 117.433 119.070 -0.394 0.000 2.451 80 H HA 0.110 4.669 4.556 0.005 0.000 0.294 80 H C -0.194 174.723 175.328 -0.684 0.000 1.028 80 H CA 0.508 56.136 56.048 -0.700 0.000 1.349 80 H CB 0.388 29.375 29.762 -1.292 0.000 1.444 80 H HN -0.036 nan 8.280 nan 0.000 0.538 81 F N 0.857 120.785 119.950 -0.036 0.000 2.359 81 F HA 0.319 4.849 4.527 0.006 0.000 0.369 81 F C 0.161 175.986 175.800 0.042 0.000 1.084 81 F CA -0.726 57.258 58.000 -0.025 0.000 1.096 81 F CB 1.319 40.261 39.000 -0.097 0.000 1.335 81 F HN -0.112 nan 8.300 nan 0.000 0.457 82 S N 0.978 116.776 115.700 0.162 0.000 2.554 82 S HA 0.265 4.739 4.470 0.005 0.000 0.278 82 S C 1.070 175.735 174.600 0.109 0.000 1.242 82 S CA -0.474 57.810 58.200 0.141 0.000 1.051 82 S CB 1.200 64.450 63.200 0.083 0.000 0.986 82 S HN 0.527 nan 8.310 nan 0.000 0.502 83 S N 2.640 118.394 115.700 0.090 0.000 2.603 83 S HA 0.021 4.494 4.470 0.005 0.000 0.220 83 S C 1.593 176.179 174.600 -0.022 0.000 0.967 83 S CA 0.080 58.271 58.200 -0.015 0.000 0.920 83 S CB -0.207 62.923 63.200 -0.116 0.000 0.773 83 S HN 0.859 nan 8.310 nan 0.000 0.529 84 E N 0.211 120.426 120.200 0.025 0.000 2.160 84 E HA -0.182 4.171 4.350 0.005 0.000 0.195 84 E C 0.349 176.941 176.600 -0.013 0.000 0.991 84 E CA 0.789 57.202 56.400 0.023 0.000 0.810 84 E CB 0.082 29.803 29.700 0.036 0.000 0.742 84 E HN 0.422 nan 8.360 nan 0.000 0.466 85 C N 1.687 120.968 119.300 -0.032 0.000 3.002 85 C HA 0.442 4.906 4.460 0.005 0.000 0.248 85 C C -2.132 172.808 174.990 -0.083 0.000 1.153 85 C CA -1.496 57.485 59.018 -0.062 0.000 1.502 85 C CB 1.044 28.777 27.740 -0.011 0.000 1.805 85 C HN 0.252 nan 8.230 nan 0.000 0.450 86 P HA 0.225 nan 4.420 nan 0.000 0.267 86 P C -0.188 177.153 177.300 0.069 0.000 1.289 86 P CA 0.266 63.286 63.100 -0.133 0.000 0.866 86 P CB 0.331 31.831 31.700 -0.334 0.000 1.309 87 F N 0.154 119.910 119.950 -0.324 0.000 2.546 87 F HA 0.469 4.999 4.527 0.006 0.000 0.320 87 F C 0.649 176.338 175.800 -0.184 0.000 1.076 87 F CA -2.296 55.550 58.000 -0.257 0.000 0.928 87 F CB 1.247 40.050 39.000 -0.327 0.000 1.189 87 F HN -0.350 nan 8.300 nan 0.000 0.465 88 I N 5.037 125.608 120.570 0.002 0.000 2.377 88 I HA 0.345 4.518 4.170 0.005 0.000 0.293 88 I C -2.038 174.158 176.117 0.133 0.000 0.987 88 I CA -1.892 59.388 61.300 -0.034 0.000 1.185 88 I CB 1.877 39.706 38.000 -0.285 0.000 1.341 88 I HN 0.341 nan 8.210 nan 0.000 0.455 89 P HA 0.136 nan 4.420 nan 0.000 0.274 89 P C 0.342 177.656 177.300 0.023 0.000 1.256 89 P CA -0.486 62.648 63.100 0.058 0.000 0.795 89 P CB 0.870 32.599 31.700 0.048 0.000 1.038 90 R N 0.907 121.422 120.500 0.024 0.000 2.117 90 R HA -0.179 4.165 4.340 0.005 0.000 0.243 90 R C 2.041 178.342 176.300 0.003 0.000 1.143 90 R CA 1.879 57.990 56.100 0.019 0.000 0.968 90 R CB -0.245 30.080 30.300 0.042 0.000 0.863 90 R HN 0.529 nan 8.270 nan 0.000 0.444 91 E N 0.056 120.262 120.200 0.011 0.000 2.150 91 E HA -0.166 4.187 4.350 0.005 0.000 0.193 91 E C 1.630 178.218 176.600 -0.021 0.000 0.985 91 E CA 1.332 57.739 56.400 0.011 0.000 0.814 91 E CB -0.260 29.458 29.700 0.031 0.000 0.752 91 E HN 0.455 nan 8.360 nan 0.000 0.466 92 A N 1.783 124.565 122.820 -0.064 0.000 1.930 92 A HA 0.138 4.461 4.320 0.005 0.000 0.215 92 A C 2.542 179.835 177.584 -0.485 0.000 1.176 92 A CA 1.323 53.186 52.037 -0.291 0.000 0.632 92 A CB -1.046 17.848 19.000 -0.177 0.000 0.819 92 A HN 0.387 nan 8.150 nan 0.000 0.445 93 G N -0.138 108.529 108.800 -0.221 0.000 2.418 93 G HA2 -0.222 3.741 3.960 0.005 0.000 0.217 93 G HA3 -0.222 3.741 3.960 0.005 0.000 0.217 93 G C 1.410 176.220 174.900 -0.150 0.000 1.158 93 G CA 1.034 46.012 45.100 -0.203 0.000 0.771 93 G HN 0.645 nan 8.290 nan 0.000 0.545 94 E N 0.428 120.579 120.200 -0.083 0.000 2.106 94 E HA 0.028 4.381 4.350 0.005 0.000 0.192 94 E C 2.819 179.404 176.600 -0.024 0.000 0.984 94 E CA 0.692 57.072 56.400 -0.033 0.000 0.806 94 E CB -0.117 29.581 29.700 -0.003 0.000 0.750 94 E HN 0.427 nan 8.360 nan 0.000 0.458 95 A N 0.773 123.573 122.820 -0.033 0.000 2.067 95 A HA -0.102 4.221 4.320 0.005 0.000 0.217 95 A C 0.723 178.320 177.584 0.021 0.000 1.156 95 A CA 0.056 52.117 52.037 0.040 0.000 0.683 95 A CB -0.404 18.698 19.000 0.171 0.000 0.808 95 A HN 0.292 nan 8.150 nan 0.000 0.455 96 Y N 2.502 122.619 120.300 -0.305 0.000 2.745 96 Y HA 0.163 4.716 4.550 0.005 0.000 0.335 96 Y C 0.248 175.987 175.900 -0.267 0.000 1.212 96 Y CA 0.019 57.856 58.100 -0.438 0.000 1.535 96 Y CB 0.443 38.416 38.460 -0.810 0.000 1.220 96 Y HN 0.453 nan 8.280 nan 0.000 0.531 97 D N 4.144 124.311 120.400 -0.387 0.000 2.636 97 D HA 0.027 4.670 4.640 0.005 0.000 0.270 97 D C -0.615 175.657 176.300 -0.047 0.000 1.430 97 D CA -0.359 53.583 54.000 -0.096 0.000 0.796 97 D CB -0.916 39.882 40.800 -0.003 0.000 1.117 97 D HN 0.140 nan 8.370 nan 0.000 0.480 98 F N 1.212 120.944 119.950 -0.362 0.000 2.545 98 F HA 0.326 4.856 4.527 0.005 0.000 0.348 98 F C 1.206 176.970 175.800 -0.060 0.000 1.163 98 F CA -0.754 57.113 58.000 -0.221 0.000 1.331 98 F CB 0.439 39.195 39.000 -0.407 0.000 1.138 98 F HN -0.091 nan 8.300 nan 0.000 0.602 99 I N 3.841 124.482 120.570 0.118 0.000 2.474 99 I HA 0.222 4.396 4.170 0.005 0.000 0.294 99 I C -1.886 174.248 176.117 0.027 0.000 1.005 99 I CA -1.726 59.550 61.300 -0.041 0.000 1.113 99 I CB 2.471 40.276 38.000 -0.324 0.000 1.289 99 I HN 0.339 nan 8.210 nan 0.000 0.436 100 P HA 0.094 nan 4.420 nan 0.000 0.261 100 P C 0.994 178.447 177.300 0.255 0.000 1.268 100 P CA 0.279 63.439 63.100 0.100 0.000 0.833 100 P CB 0.251 32.036 31.700 0.142 0.000 1.231 101 T N -0.823 113.923 114.554 0.320 0.000 2.962 101 T HA -0.110 4.244 4.350 0.005 0.000 0.270 101 T C 1.710 176.535 174.700 0.209 0.000 1.088 101 T CA 1.799 64.092 62.100 0.323 0.000 1.127 101 T CB -0.603 68.478 68.868 0.354 0.000 0.883 101 T HN 0.256 nan 8.240 nan 0.000 0.493 102 S N -0.084 115.793 115.700 0.295 0.000 2.593 102 S HA 0.292 4.766 4.470 0.005 0.000 0.217 102 S C 0.491 175.168 174.600 0.129 0.000 0.966 102 S CA -0.303 58.013 58.200 0.193 0.000 0.914 102 S CB -0.467 62.882 63.200 0.248 0.000 0.776 102 S HN 0.346 nan 8.310 nan 0.000 0.523 103 M N 1.970 121.677 119.600 0.177 0.000 2.508 103 M HA 0.485 4.968 4.480 0.005 0.000 0.327 103 M C -0.982 175.452 176.300 0.224 0.000 1.160 103 M CA -0.652 54.741 55.300 0.154 0.000 0.980 103 M CB 1.574 34.240 32.600 0.110 0.000 1.693 103 M HN 0.032 nan 8.290 nan 0.000 0.452 104 D N 2.161 122.646 120.400 0.141 0.000 2.268 104 D HA 0.468 5.111 4.640 0.005 0.000 0.249 104 D C -2.436 173.825 176.300 -0.065 0.000 1.008 104 D CA -1.210 52.844 54.000 0.089 0.000 0.939 104 D CB 1.149 42.022 40.800 0.122 0.000 1.170 104 D HN 0.176 nan 8.370 nan 0.000 0.468 105 P HA 0.088 nan 4.420 nan 0.000 0.269 105 P C -1.766 175.460 177.300 -0.122 0.000 1.215 105 P CA -0.829 62.081 63.100 -0.316 0.000 0.780 105 P CB 0.149 31.447 31.700 -0.669 0.000 0.898 106 P HA -0.073 nan 4.420 nan 0.000 0.227 106 P C 1.308 178.601 177.300 -0.010 0.000 1.161 106 P CA 0.954 64.035 63.100 -0.031 0.000 0.788 106 P CB 0.111 31.816 31.700 0.009 0.000 0.822 107 E N 0.810 121.029 120.200 0.031 0.000 2.130 107 E HA -0.265 4.088 4.350 0.005 0.000 0.196 107 E C 2.241 178.943 176.600 0.169 0.000 0.998 107 E CA 1.073 57.530 56.400 0.094 0.000 0.806 107 E CB -0.321 29.445 29.700 0.111 0.000 0.738 107 E HN 0.172 nan 8.360 nan 0.000 0.459 108 Q N 0.595 120.459 119.800 0.107 0.000 2.135 108 Q HA -0.226 4.117 4.340 0.005 0.000 0.204 108 Q C 2.156 178.242 176.000 0.143 0.000 0.981 108 Q CA 1.416 57.307 55.803 0.146 0.000 0.856 108 Q CB -0.071 28.650 28.738 -0.029 0.000 0.902 108 Q HN 0.318 nan 8.270 nan 0.000 0.425 109 R N 0.509 121.015 120.500 0.010 0.000 2.103 109 R HA -0.210 4.134 4.340 0.005 0.000 0.242 109 R C 2.501 178.778 176.300 -0.039 0.000 1.142 109 R CA 1.914 57.993 56.100 -0.035 0.000 0.960 109 R CB -0.520 29.739 30.300 -0.067 0.000 0.858 109 R HN 0.604 nan 8.270 nan 0.000 0.439 110 Q N -0.060 119.679 119.800 -0.100 0.000 2.226 110 Q HA -0.136 4.207 4.340 0.005 0.000 0.204 110 Q C 1.481 177.291 176.000 -0.316 0.000 0.975 110 Q CA 1.437 57.090 55.803 -0.249 0.000 0.866 110 Q CB -0.321 28.181 28.738 -0.392 0.000 0.915 110 Q HN 0.308 nan 8.270 nan 0.000 0.440 111 F N 1.129 121.069 119.950 -0.016 0.000 2.456 111 F HA 0.129 4.659 4.527 0.005 0.000 0.298 111 F C 2.358 178.153 175.800 -0.008 0.000 1.104 111 F CA 0.519 58.517 58.000 -0.004 0.000 1.435 111 F CB -0.015 38.992 39.000 0.012 0.000 1.078 111 F HN -0.040 nan 8.300 nan 0.000 0.546 112 R N 0.208 120.779 120.500 0.119 0.000 2.096 112 R HA -0.124 4.219 4.340 0.005 0.000 0.235 112 R C 2.472 178.791 176.300 0.033 0.000 1.127 112 R CA 1.177 57.313 56.100 0.061 0.000 0.968 112 R CB -0.696 29.610 30.300 0.010 0.000 0.861 112 R HN 0.275 nan 8.270 nan 0.000 0.440 113 A N 1.031 123.853 122.820 0.003 0.000 1.933 113 A HA -0.169 4.155 4.320 0.005 0.000 0.218 113 A C 2.041 179.626 177.584 0.003 0.000 1.175 113 A CA 1.122 53.153 52.037 -0.009 0.000 0.628 113 A CB -0.388 18.591 19.000 -0.035 0.000 0.814 113 A HN 0.231 nan 8.150 nan 0.000 0.444 114 L N -0.521 120.711 121.223 0.015 0.000 2.072 114 L HA 0.053 4.396 4.340 0.005 0.000 0.205 114 L C 2.680 179.577 176.870 0.045 0.000 1.079 114 L CA 1.945 56.802 54.840 0.028 0.000 0.752 114 L CB -0.731 41.356 42.059 0.047 0.000 0.906 114 L HN 0.326 nan 8.230 nan 0.000 0.436 115 A N -0.610 122.249 122.820 0.066 0.000 1.933 115 A HA -0.233 4.091 4.320 0.005 0.000 0.218 115 A C 2.193 179.804 177.584 0.045 0.000 1.175 115 A CA 1.755 53.829 52.037 0.062 0.000 0.628 115 A CB -0.839 18.205 19.000 0.073 0.000 0.814 115 A HN 0.581 nan 8.150 nan 0.000 0.444 116 N N -0.218 118.503 118.700 0.035 0.000 2.205 116 N HA -0.180 4.563 4.740 0.005 0.000 0.186 116 N C 1.850 177.373 175.510 0.023 0.000 1.015 116 N CA 1.555 54.623 53.050 0.029 0.000 0.862 116 N CB -0.272 38.227 38.487 0.020 0.000 0.986 116 N HN 0.675 nan 8.380 nan 0.000 0.429 117 Q N -0.219 119.590 119.800 0.016 0.000 2.226 117 Q HA -0.087 4.256 4.340 0.005 0.000 0.204 117 Q C 1.915 177.920 176.000 0.008 0.000 0.975 117 Q CA 1.289 57.096 55.803 0.007 0.000 0.866 117 Q CB 0.239 28.979 28.738 0.002 0.000 0.915 117 Q HN 0.399 nan 8.270 nan 0.000 0.440 118 V N -3.723 116.201 119.914 0.018 0.000 3.621 118 V HA 0.108 4.231 4.120 0.005 0.000 0.263 118 V C 1.424 177.535 176.094 0.027 0.000 1.272 118 V CA 0.485 62.793 62.300 0.013 0.000 1.080 118 V CB 0.669 32.500 31.823 0.013 0.000 0.816 118 V HN 0.216 nan 8.190 nan 0.000 0.451 119 V N -2.511 117.429 119.914 0.043 0.000 3.451 119 V HA 0.705 4.828 4.120 0.005 0.000 0.288 119 V C 1.173 177.298 176.094 0.052 0.000 1.502 119 V CA 0.467 62.801 62.300 0.057 0.000 1.026 119 V CB -0.451 31.420 31.823 0.079 0.000 0.840 119 V HN 0.448 nan 8.190 nan 0.000 0.437 120 G N -0.211 108.621 108.800 0.052 0.000 2.489 120 G HA2 0.309 4.272 3.960 0.005 0.000 0.271 120 G HA3 0.309 4.272 3.960 0.005 0.000 0.271 120 G C 0.751 175.688 174.900 0.062 0.000 1.427 120 G CA -0.004 45.146 45.100 0.082 0.000 1.057 120 G HN 0.015 nan 8.290 nan 0.000 0.532 121 M N 0.529 120.141 119.600 0.021 0.000 2.149 121 M HA -0.038 4.445 4.480 0.005 0.000 0.261 121 M C 0.132 176.417 176.300 -0.025 0.000 1.064 121 M CA 1.344 56.617 55.300 -0.046 0.000 1.102 121 M CB -1.939 30.562 32.600 -0.166 0.000 1.369 121 M HN 0.196 nan 8.290 nan 0.000 0.408 122 P HA -0.137 nan 4.420 nan 0.000 0.215 122 P C 1.905 179.199 177.300 -0.009 0.000 1.163 122 P CA 1.393 64.484 63.100 -0.016 0.000 0.894 122 P CB -0.204 31.488 31.700 -0.013 0.000 0.791 123 V N -0.941 118.972 119.914 -0.002 0.000 2.548 123 V HA -0.137 3.987 4.120 0.005 0.000 0.249 123 V C 2.539 178.635 176.094 0.003 0.000 1.055 123 V CA 1.257 63.555 62.300 -0.003 0.000 1.065 123 V CB -1.036 30.785 31.823 -0.003 0.000 0.681 123 V HN -0.052 nan 8.190 nan 0.000 0.462 124 V N 0.429 120.351 119.914 0.014 0.000 2.332 124 V HA -0.260 3.864 4.120 0.005 0.000 0.248 124 V C 2.259 178.362 176.094 0.015 0.000 1.055 124 V CA 2.210 64.524 62.300 0.023 0.000 1.038 124 V CB -0.633 31.213 31.823 0.038 0.000 0.651 124 V HN 0.578 nan 8.190 nan 0.000 0.450 125 D N -0.228 120.174 120.400 0.004 0.000 2.178 125 D HA -0.118 4.525 4.640 0.005 0.000 0.202 125 D C 2.219 178.520 176.300 0.002 0.000 0.974 125 D CA 0.940 54.941 54.000 0.002 0.000 0.841 125 D CB -0.151 40.644 40.800 -0.008 0.000 0.953 125 D HN 0.441 nan 8.370 nan 0.000 0.478 126 K N 0.291 120.689 120.400 -0.003 0.000 2.057 126 K HA -0.014 4.309 4.320 0.005 0.000 0.207 126 K C 1.934 178.533 176.600 -0.002 0.000 1.049 126 K CA 0.661 56.945 56.287 -0.006 0.000 0.931 126 K CB -0.007 32.485 32.500 -0.013 0.000 0.714 126 K HN 0.164 nan 8.250 nan 0.000 0.440 127 L N 0.719 121.942 121.223 0.001 0.000 2.592 127 L HA 0.038 4.381 4.340 0.005 0.000 0.227 127 L C 2.130 179.015 176.870 0.025 0.000 1.127 127 L CA -0.022 54.821 54.840 0.005 0.000 0.884 127 L CB -0.164 41.892 42.059 -0.005 0.000 1.065 127 L HN 0.256 nan 8.230 nan 0.000 0.457 128 E N 1.202 121.420 120.200 0.030 0.000 2.048 128 E HA -0.292 4.061 4.350 0.005 0.000 0.202 128 E C 1.672 178.305 176.600 0.054 0.000 1.021 128 E CA 1.920 58.347 56.400 0.045 0.000 0.825 128 E CB 0.153 29.874 29.700 0.034 0.000 0.756 128 E HN 0.472 nan 8.360 nan 0.000 0.454 129 N N 0.090 118.814 118.700 0.040 0.000 2.120 129 N HA -0.122 4.621 4.740 0.005 0.000 0.188 129 N C 1.811 177.353 175.510 0.053 0.000 1.024 129 N CA 0.932 54.007 53.050 0.042 0.000 0.852 129 N CB -0.244 38.259 38.487 0.028 0.000 1.003 129 N HN 0.161 nan 8.380 nan 0.000 0.424 130 R N 0.831 121.359 120.500 0.047 0.000 2.115 130 R HA 0.108 4.452 4.340 0.005 0.000 0.226 130 R C 2.293 178.651 176.300 0.096 0.000 1.100 130 R CA 0.267 56.398 56.100 0.053 0.000 0.980 130 R CB -0.678 29.636 30.300 0.023 0.000 0.875 130 R HN 0.350 nan 8.270 nan 0.000 0.445 131 I N 0.855 121.490 120.570 0.108 0.000 2.179 131 I HA -0.304 3.869 4.170 0.005 0.000 0.242 131 I C 2.655 178.952 176.117 0.301 0.000 1.088 131 I CA 1.306 62.732 61.300 0.210 0.000 1.357 131 I CB -0.258 37.846 38.000 0.173 0.000 1.051 131 I HN 0.090 nan 8.210 nan 0.000 0.409 132 Q N 1.134 121.043 119.800 0.181 0.000 2.050 132 Q HA -0.269 4.074 4.340 0.005 0.000 0.202 132 Q C 2.150 178.220 176.000 0.118 0.000 0.980 132 Q CA 1.830 57.716 55.803 0.139 0.000 0.840 132 Q CB -0.276 28.516 28.738 0.090 0.000 0.898 132 Q HN 0.334 nan 8.270 nan 0.000 0.424 133 E N -0.283 119.979 120.200 0.103 0.000 2.077 133 E HA -0.180 4.173 4.350 0.005 0.000 0.193 133 E C 1.867 178.526 176.600 0.098 0.000 0.989 133 E CA 1.194 57.642 56.400 0.081 0.000 0.800 133 E CB -0.217 29.520 29.700 0.061 0.000 0.746 133 E HN 0.420 nan 8.360 nan 0.000 0.452 134 L N 0.787 122.101 121.223 0.152 0.000 2.072 134 L HA -0.005 4.339 4.340 0.005 0.000 0.205 134 L C 2.368 179.341 176.870 0.172 0.000 1.079 134 L CA 2.051 56.998 54.840 0.179 0.000 0.752 134 L CB -0.871 41.326 42.059 0.230 0.000 0.906 134 L HN 0.099 nan 8.230 nan 0.000 0.436 135 A N -1.032 121.878 122.820 0.151 0.000 1.865 135 A HA -0.280 4.043 4.320 0.005 0.000 0.217 135 A C 2.399 180.009 177.584 0.045 0.000 1.191 135 A CA 2.125 54.118 52.037 -0.073 0.000 0.623 135 A CB -1.545 17.334 19.000 -0.203 0.000 0.826 135 A HN 0.621 nan 8.150 nan 0.000 0.444 136 C N -1.393 117.927 119.300 0.033 0.000 2.429 136 C HA -0.037 4.426 4.460 0.005 0.000 0.277 136 C C 3.313 178.311 174.990 0.012 0.000 1.262 136 C CA 1.311 60.333 59.018 0.006 0.000 1.733 136 C CB -1.146 26.599 27.740 0.009 0.000 2.010 136 C HN 0.692 nan 8.230 nan 0.000 0.483 137 S N 0.280 116.003 115.700 0.037 0.000 2.356 137 S HA -0.077 4.396 4.470 0.005 0.000 0.223 137 S C 1.765 176.392 174.600 0.045 0.000 1.032 137 S CA 1.323 59.544 58.200 0.035 0.000 1.005 137 S CB -0.275 62.952 63.200 0.045 0.000 0.867 137 S HN 0.595 nan 8.310 nan 0.000 0.449 138 L N 0.739 122.010 121.223 0.081 0.000 2.046 138 L HA -0.058 4.286 4.340 0.005 0.000 0.208 138 L C 2.328 179.270 176.870 0.119 0.000 1.077 138 L CA 1.237 56.149 54.840 0.120 0.000 0.747 138 L CB -0.474 41.678 42.059 0.155 0.000 0.896 138 L HN 0.368 nan 8.230 nan 0.000 0.432 139 I N -0.460 120.151 120.570 0.068 0.000 2.286 139 I HA -0.233 3.941 4.170 0.005 0.000 0.245 139 I C 2.573 178.581 176.117 -0.181 0.000 1.104 139 I CA 0.906 62.120 61.300 -0.144 0.000 1.397 139 I CB -0.184 37.648 38.000 -0.281 0.000 1.072 139 I HN 0.234 nan 8.210 nan 0.000 0.417 140 E N 0.839 120.979 120.200 -0.099 0.000 2.106 140 E HA -0.216 4.137 4.350 0.005 0.000 0.192 140 E C 2.196 178.778 176.600 -0.030 0.000 0.984 140 E CA 1.618 57.970 56.400 -0.079 0.000 0.806 140 E CB -0.210 29.462 29.700 -0.047 0.000 0.750 140 E HN 0.230 nan 8.360 nan 0.000 0.458 141 S N -0.938 114.763 115.700 0.002 0.000 2.402 141 S HA -0.018 4.455 4.470 0.005 0.000 0.229 141 S C 1.745 176.379 174.600 0.057 0.000 1.021 141 S CA 0.976 59.194 58.200 0.031 0.000 0.974 141 S CB -0.176 63.049 63.200 0.042 0.000 0.800 141 S HN 0.376 nan 8.310 nan 0.000 0.484 142 L N 0.616 121.879 121.223 0.067 0.000 2.270 142 L HA 0.152 4.496 4.340 0.005 0.000 0.210 142 L C 2.669 179.700 176.870 0.267 0.000 1.104 142 L CA 0.502 55.442 54.840 0.167 0.000 0.804 142 L CB -0.454 41.727 42.059 0.205 0.000 0.937 142 L HN 0.275 nan 8.230 nan 0.000 0.450 143 R N 1.070 121.627 120.500 0.096 0.000 2.133 143 R HA -0.199 4.145 4.340 0.005 0.000 0.245 143 R C -0.591 175.897 176.300 0.313 0.000 1.137 143 R CA 2.278 58.451 56.100 0.122 0.000 0.947 143 R CB -1.197 29.048 30.300 -0.092 0.000 0.865 143 R HN 0.247 nan 8.270 nan 0.000 0.437 144 P HA -0.079 nan 4.420 nan 0.000 0.226 144 P C 0.492 177.830 177.300 0.063 0.000 1.153 144 P CA 1.169 64.335 63.100 0.110 0.000 0.777 144 P CB -0.036 31.696 31.700 0.053 0.000 0.794 145 Q N -0.655 119.177 119.800 0.053 0.000 2.230 145 Q HA 0.066 4.409 4.340 0.005 0.000 0.202 145 Q C 1.535 177.336 176.000 -0.332 0.000 0.963 145 Q CA 0.962 56.713 55.803 -0.087 0.000 0.866 145 Q CB -0.535 28.173 28.738 -0.049 0.000 0.931 145 Q HN 0.265 nan 8.270 nan 0.000 0.452 146 G N 1.435 109.831 108.800 -0.673 0.000 2.155 146 G HA2 -0.319 3.644 3.960 0.005 0.000 0.257 146 G HA3 -0.319 3.644 3.960 0.005 0.000 0.257 146 G C -0.091 173.838 174.900 -1.619 0.000 0.983 146 G CA 0.822 45.093 45.100 -1.380 0.000 0.676 146 G HN 0.463 nan 8.290 nan 0.000 0.528 147 Q N -1.903 117.006 119.800 -1.486 0.000 2.721 147 Q HA 0.614 4.957 4.340 0.005 0.000 0.282 147 Q C -0.421 175.417 176.000 -0.269 0.000 0.932 147 Q CA -0.758 54.567 55.803 -0.797 0.000 0.816 147 Q CB 1.396 29.924 28.738 -0.349 0.000 1.506 147 Q HN 1.491 nan 8.270 nan 0.000 0.399 148 C N -0.422 118.930 119.300 0.086 0.000 3.292 148 C HA 0.634 5.097 4.460 0.005 0.000 0.338 148 C C -1.565 173.560 174.990 0.224 0.000 1.323 148 C CA -0.871 58.291 59.018 0.241 0.000 1.232 148 C CB 1.433 29.456 27.740 0.472 0.000 1.517 148 C HN 0.887 nan 8.230 nan 0.000 0.470 149 N N 1.264 120.073 118.700 0.181 0.000 2.645 149 N HA 0.236 4.979 4.740 0.005 0.000 0.233 149 N C 0.198 175.821 175.510 0.188 0.000 1.058 149 N CA -0.284 52.859 53.050 0.154 0.000 0.942 149 N CB 0.839 39.382 38.487 0.093 0.000 1.210 149 N HN 0.779 nan 8.380 nan 0.000 0.512 150 F N 2.732 122.732 119.950 0.084 0.000 2.126 150 F HA -0.262 4.268 4.527 0.005 0.000 0.299 150 F C 2.547 178.379 175.800 0.054 0.000 1.096 150 F CA 1.810 59.844 58.000 0.057 0.000 1.255 150 F CB -0.059 38.898 39.000 -0.071 0.000 0.997 150 F HN 0.405 nan 8.300 nan 0.000 0.479 151 T N -2.430 112.178 114.554 0.090 0.000 2.746 151 T HA -0.260 4.093 4.350 0.005 0.000 0.267 151 T C 1.886 176.544 174.700 -0.071 0.000 1.039 151 T CA 1.632 63.723 62.100 -0.014 0.000 1.142 151 T CB -0.668 68.212 68.868 0.021 0.000 0.866 151 T HN 0.563 nan 8.240 nan 0.000 0.444 152 E N 0.659 120.844 120.200 -0.025 0.000 2.170 152 E HA -0.096 4.257 4.350 0.005 0.000 0.191 152 E C 1.209 177.792 176.600 -0.029 0.000 0.981 152 E CA 0.852 57.240 56.400 -0.020 0.000 0.830 152 E CB 0.080 29.787 29.700 0.012 0.000 0.775 152 E HN 0.453 nan 8.360 nan 0.000 0.470 153 D N -1.130 119.259 120.400 -0.019 0.000 2.333 153 D HA -0.018 4.626 4.640 0.005 0.000 0.208 153 D C 0.577 176.884 176.300 0.010 0.000 0.984 153 D CA 0.607 54.622 54.000 0.024 0.000 0.873 153 D CB 0.436 41.304 40.800 0.112 0.000 0.935 153 D HN 0.274 nan 8.370 nan 0.000 0.521 154 Y N -0.266 119.841 120.300 -0.321 0.000 3.032 154 Y HA 0.332 4.886 4.550 0.006 0.000 0.232 154 Y C 1.929 177.589 175.900 -0.400 0.000 1.099 154 Y CA 0.545 58.422 58.100 -0.371 0.000 1.328 154 Y CB -0.190 37.948 38.460 -0.535 0.000 1.432 154 Y HN -0.148 nan 8.280 nan 0.000 0.433 155 A N 0.897 123.414 122.820 -0.505 0.000 1.940 155 A HA -0.188 4.135 4.320 0.005 0.000 0.219 155 A C 1.815 179.339 177.584 -0.099 0.000 1.176 155 A CA 2.357 54.274 52.037 -0.199 0.000 0.631 155 A CB -0.564 18.366 19.000 -0.117 0.000 0.814 155 A HN 0.678 nan 8.150 nan 0.000 0.446 156 E N -0.815 119.312 120.200 -0.123 0.000 2.021 156 E HA -0.078 4.275 4.350 0.005 0.000 0.189 156 E C -0.561 175.984 176.600 -0.092 0.000 0.980 156 E CA 0.847 57.198 56.400 -0.081 0.000 0.803 156 E CB -0.574 29.091 29.700 -0.058 0.000 0.766 156 E HN 0.492 nan 8.360 nan 0.000 0.449 157 P HA -0.178 nan 4.420 nan 0.000 0.217 157 P C 1.362 178.598 177.300 -0.106 0.000 1.150 157 P CA 1.078 64.124 63.100 -0.090 0.000 0.832 157 P CB -0.083 31.573 31.700 -0.073 0.000 0.787 158 F N 2.938 122.655 119.950 -0.389 0.000 2.026 158 F HA -0.092 4.439 4.527 0.007 0.000 0.296 158 F C -0.897 174.796 175.800 -0.178 0.000 1.133 158 F CA 2.000 59.757 58.000 -0.406 0.000 1.188 158 F CB -2.008 36.469 39.000 -0.871 0.000 0.968 158 F HN -0.022 nan 8.300 nan 0.000 0.476 159 P HA -0.088 nan 4.420 nan 0.000 0.217 159 P C 2.096 179.288 177.300 -0.180 0.000 1.151 159 P CA 1.793 64.663 63.100 -0.385 0.000 0.828 159 P CB -0.144 31.462 31.700 -0.156 0.000 0.788 160 I N -0.668 119.836 120.570 -0.110 0.000 2.252 160 I HA -0.173 4.000 4.170 0.005 0.000 0.245 160 I C 2.568 178.688 176.117 0.005 0.000 1.102 160 I CA 1.289 62.574 61.300 -0.024 0.000 1.385 160 I CB -0.399 37.584 38.000 -0.029 0.000 1.064 160 I HN -0.153 nan 8.210 nan 0.000 0.414 161 R N 0.427 120.897 120.500 -0.050 0.000 2.092 161 R HA -0.094 4.249 4.340 0.005 0.000 0.231 161 R C 2.254 178.521 176.300 -0.055 0.000 1.119 161 R CA 1.070 57.148 56.100 -0.036 0.000 0.970 161 R CB -0.131 30.148 30.300 -0.034 0.000 0.864 161 R HN 0.278 nan 8.270 nan 0.000 0.440 162 I N 0.104 120.604 120.570 -0.117 0.000 2.252 162 I HA -0.255 3.919 4.170 0.005 0.000 0.245 162 I C 2.161 178.240 176.117 -0.063 0.000 1.102 162 I CA 1.294 62.521 61.300 -0.122 0.000 1.385 162 I CB -0.815 37.046 38.000 -0.232 0.000 1.064 162 I HN 0.069 nan 8.210 nan 0.000 0.414 163 F N 1.434 121.310 119.950 -0.124 0.000 2.186 163 F HA -0.189 4.341 4.527 0.005 0.000 0.299 163 F C 2.530 178.298 175.800 -0.052 0.000 1.090 163 F CA 1.403 59.354 58.000 -0.082 0.000 1.307 163 F CB -0.103 38.848 39.000 -0.081 0.000 1.019 163 F HN -0.091 nan 8.300 nan 0.000 0.489 164 M N -0.411 119.173 119.600 -0.027 0.000 2.229 164 M HA -0.129 4.355 4.480 0.005 0.000 0.264 164 M C 2.241 178.458 176.300 -0.137 0.000 1.063 164 M CA 1.121 56.381 55.300 -0.066 0.000 1.114 164 M CB -1.422 31.198 32.600 0.034 0.000 1.387 164 M HN 0.347 nan 8.290 nan 0.000 0.420 165 L N 0.823 121.973 121.223 -0.122 0.000 2.027 165 L HA -0.128 4.215 4.340 0.005 0.000 0.206 165 L C 2.316 179.091 176.870 -0.159 0.000 1.074 165 L CA 1.446 56.221 54.840 -0.109 0.000 0.745 165 L CB -0.832 41.181 42.059 -0.077 0.000 0.898 165 L HN 0.300 nan 8.230 nan 0.000 0.433 166 L N -0.650 120.432 121.223 -0.234 0.000 2.083 166 L HA -0.108 4.236 4.340 0.005 0.000 0.209 166 L C 2.078 178.755 176.870 -0.322 0.000 1.083 166 L CA 1.641 56.322 54.840 -0.266 0.000 0.752 166 L CB -0.379 41.495 42.059 -0.307 0.000 0.899 166 L HN 0.299 nan 8.230 nan 0.000 0.433 167 A N -0.655 121.891 122.820 -0.457 0.000 2.275 167 A HA 0.319 4.642 4.320 0.005 0.000 0.212 167 A C 1.522 179.006 177.584 -0.166 0.000 1.201 167 A CA 0.477 52.291 52.037 -0.371 0.000 0.843 167 A CB -0.466 18.200 19.000 -0.556 0.000 0.873 167 A HN 0.731 nan 8.150 nan 0.000 0.492 168 G N -0.384 108.334 108.800 -0.137 0.000 2.273 168 G HA2 -0.212 3.752 3.960 0.005 0.000 0.280 168 G HA3 -0.212 3.752 3.960 0.005 0.000 0.280 168 G C -0.142 174.740 174.900 -0.029 0.000 1.047 168 G CA 0.603 45.661 45.100 -0.069 0.000 0.869 168 G HN 0.488 nan 8.290 nan 0.000 0.502 169 L N 0.291 121.506 121.223 -0.012 0.000 2.334 169 L HA 0.525 4.869 4.340 0.005 0.000 0.276 169 L C -1.863 175.040 176.870 0.055 0.000 1.014 169 L CA -2.529 52.347 54.840 0.061 0.000 0.815 169 L CB 2.083 44.224 42.059 0.136 0.000 1.268 169 L HN -0.085 nan 8.230 nan 0.000 0.428 170 P HA 0.107 nan 4.420 nan 0.000 0.271 170 P C -0.005 177.332 177.300 0.062 0.000 1.216 170 P CA -0.212 62.921 63.100 0.055 0.000 0.771 170 P CB 0.791 32.524 31.700 0.055 0.000 0.864 171 E N 1.325 121.548 120.200 0.040 0.000 2.265 171 E HA -0.201 4.152 4.350 0.005 0.000 0.196 171 E C 0.986 177.611 176.600 0.041 0.000 0.996 171 E CA 1.158 57.579 56.400 0.036 0.000 0.832 171 E CB -0.045 29.667 29.700 0.021 0.000 0.756 171 E HN 0.569 nan 8.360 nan 0.000 0.491 172 E N 0.790 121.017 120.200 0.044 0.000 2.338 172 E HA -0.142 4.211 4.350 0.005 0.000 0.197 172 E C 0.953 177.590 176.600 0.063 0.000 1.007 172 E CA 0.782 57.209 56.400 0.044 0.000 0.849 172 E CB 0.054 29.776 29.700 0.037 0.000 0.774 172 E HN 0.181 nan 8.360 nan 0.000 0.506 173 D N -0.249 120.204 120.400 0.088 0.000 2.349 173 D HA 0.043 4.687 4.640 0.005 0.000 0.224 173 D C 1.490 177.831 176.300 0.068 0.000 1.029 173 D CA 0.185 54.252 54.000 0.113 0.000 0.879 173 D CB 0.060 40.977 40.800 0.196 0.000 0.906 173 D HN 0.240 nan 8.370 nan 0.000 0.528 174 I N 1.427 122.027 120.570 0.050 0.000 2.179 174 I HA -0.204 3.970 4.170 0.005 0.000 0.242 174 I C -0.566 175.570 176.117 0.033 0.000 1.088 174 I CA 1.186 62.502 61.300 0.027 0.000 1.357 174 I CB -1.265 36.748 38.000 0.022 0.000 1.051 174 I HN -0.002 nan 8.210 nan 0.000 0.409 175 P HA -0.220 nan 4.420 nan 0.000 0.216 175 P C 1.473 178.838 177.300 0.108 0.000 1.153 175 P CA 1.676 64.816 63.100 0.068 0.000 0.858 175 P CB -0.094 31.641 31.700 0.057 0.000 0.789 176 H N -0.425 118.651 119.070 0.009 0.000 2.321 176 H HA -0.048 4.511 4.556 0.005 0.000 0.300 176 H C 1.796 177.123 175.328 -0.001 0.000 1.087 176 H CA 1.521 57.579 56.048 0.017 0.000 1.319 176 H CB -0.987 28.770 29.762 -0.008 0.000 1.379 176 H HN -0.037 nan 8.280 nan 0.000 0.501 177 L N -0.190 120.942 121.223 -0.153 0.000 2.093 177 L HA -0.104 4.239 4.340 0.005 0.000 0.208 177 L C 2.494 179.252 176.870 -0.187 0.000 1.085 177 L CA 1.427 56.100 54.840 -0.279 0.000 0.755 177 L CB -0.400 41.500 42.059 -0.265 0.000 0.904 177 L HN 0.185 nan 8.230 nan 0.000 0.435 178 K N 0.025 120.370 120.400 -0.092 0.000 2.097 178 K HA -0.235 4.088 4.320 0.005 0.000 0.205 178 K C 2.093 178.652 176.600 -0.068 0.000 1.050 178 K CA 1.431 57.676 56.287 -0.070 0.000 0.938 178 K CB -0.584 31.901 32.500 -0.026 0.000 0.718 178 K HN 0.216 nan 8.250 nan 0.000 0.442 179 Y N 0.880 121.109 120.300 -0.119 0.000 2.097 179 Y HA -0.171 4.383 4.550 0.005 0.000 0.282 179 Y C 1.587 177.403 175.900 -0.140 0.000 1.152 179 Y CA 2.023 60.059 58.100 -0.106 0.000 1.136 179 Y CB -0.232 38.174 38.460 -0.089 0.000 0.975 179 Y HN 0.014 nan 8.280 nan 0.000 0.498 180 L N -0.450 120.590 121.223 -0.305 0.000 2.056 180 L HA -0.201 4.142 4.340 0.005 0.000 0.207 180 L C 2.639 179.321 176.870 -0.313 0.000 1.078 180 L CA 1.863 56.490 54.840 -0.355 0.000 0.749 180 L CB -1.433 40.437 42.059 -0.315 0.000 0.901 180 L HN 0.377 nan 8.230 nan 0.000 0.433 181 T N -3.371 111.040 114.554 -0.237 0.000 2.746 181 T HA -0.200 4.154 4.350 0.005 0.000 0.267 181 T C 1.467 176.092 174.700 -0.125 0.000 1.039 181 T CA 1.531 63.537 62.100 -0.156 0.000 1.142 181 T CB -0.466 68.324 68.868 -0.131 0.000 0.866 181 T HN 0.172 nan 8.240 nan 0.000 0.444 182 D N 1.174 121.472 120.400 -0.170 0.000 2.309 182 D HA -0.043 4.600 4.640 0.005 0.000 0.212 182 D C 2.312 178.513 176.300 -0.165 0.000 0.968 182 D CA 0.620 54.539 54.000 -0.136 0.000 0.882 182 D CB -0.212 40.502 40.800 -0.144 0.000 0.918 182 D HN 0.436 nan 8.370 nan 0.000 0.503 183 Q N -0.677 118.955 119.800 -0.280 0.000 2.378 183 Q HA 0.109 4.452 4.340 0.005 0.000 0.205 183 Q C 1.939 177.900 176.000 -0.065 0.000 0.954 183 Q CA 0.378 56.041 55.803 -0.233 0.000 0.901 183 Q CB -0.083 28.442 28.738 -0.354 0.000 0.981 183 Q HN 0.439 nan 8.270 nan 0.000 0.483 184 M N -0.086 119.507 119.600 -0.012 0.000 2.447 184 M HA -0.045 4.438 4.480 0.005 0.000 0.264 184 M C 1.683 178.234 176.300 0.419 0.000 1.095 184 M CA 1.562 57.003 55.300 0.235 0.000 1.125 184 M CB 0.124 32.813 32.600 0.149 0.000 1.389 184 M HN 0.242 nan 8.290 nan 0.000 0.459 185 T N -2.770 111.920 114.554 0.227 0.000 3.019 185 T HA 0.215 4.569 4.350 0.005 0.000 0.247 185 T C 1.003 175.831 174.700 0.213 0.000 0.992 185 T CA -0.272 61.948 62.100 0.199 0.000 1.036 185 T CB 0.264 69.210 68.868 0.130 0.000 1.063 185 T HN 0.225 nan 8.240 nan 0.000 0.476 186 R N 2.303 122.888 120.500 0.141 0.000 2.653 186 R HA 0.342 4.685 4.340 0.005 0.000 0.269 186 R C -2.996 173.330 176.300 0.043 0.000 1.603 186 R CA -1.649 54.541 56.100 0.151 0.000 1.671 186 R CB 1.240 31.614 30.300 0.122 0.000 1.300 186 R HN 0.346 nan 8.270 nan 0.000 0.668 187 P HA -0.053 nan 4.420 nan 0.000 0.264 187 P C -0.217 177.051 177.300 -0.054 0.000 1.193 187 P CA 0.292 63.350 63.100 -0.070 0.000 0.763 187 P CB 0.814 32.444 31.700 -0.116 0.000 0.810 188 D N 1.574 121.955 120.400 -0.031 0.000 2.350 188 D HA 0.082 4.725 4.640 0.005 0.000 0.213 188 D C 1.392 177.693 176.300 0.002 0.000 1.031 188 D CA 0.627 54.630 54.000 0.005 0.000 0.861 188 D CB -0.259 40.569 40.800 0.046 0.000 0.926 188 D HN 0.590 nan 8.370 nan 0.000 0.520 189 G N 0.011 108.803 108.800 -0.012 0.000 2.253 189 G HA2 -0.329 3.635 3.960 0.005 0.000 0.209 189 G HA3 -0.329 3.635 3.960 0.005 0.000 0.209 189 G C 1.294 176.204 174.900 0.016 0.000 0.997 189 G CA 0.584 45.679 45.100 -0.009 0.000 0.640 189 G HN 0.562 nan 8.290 nan 0.000 0.496 190 S N -0.531 115.197 115.700 0.047 0.000 2.428 190 S HA 0.422 4.895 4.470 0.005 0.000 0.230 190 S C 1.030 175.670 174.600 0.066 0.000 1.014 190 S CA 1.241 59.485 58.200 0.073 0.000 0.957 190 S CB 0.124 63.405 63.200 0.135 0.000 0.784 190 S HN 0.526 nan 8.310 nan 0.000 0.499 191 M N 1.926 121.554 119.600 0.046 0.000 2.457 191 M HA 0.351 4.835 4.480 0.005 0.000 0.300 191 M C -0.326 175.973 176.300 -0.002 0.000 1.141 191 M CA -0.581 54.733 55.300 0.022 0.000 0.901 191 M CB 2.606 35.212 32.600 0.009 0.000 1.687 191 M HN 0.263 nan 8.290 nan 0.000 0.449 192 T N -1.260 113.299 114.554 0.008 0.000 2.788 192 T HA 0.250 4.603 4.350 0.005 0.000 0.280 192 T C 0.733 175.462 174.700 0.047 0.000 0.984 192 T CA -0.456 61.665 62.100 0.035 0.000 0.972 192 T CB 0.699 69.597 68.868 0.049 0.000 1.039 192 T HN 0.581 nan 8.240 nan 0.000 0.530 193 F N 1.288 121.220 119.950 -0.031 0.000 2.102 193 F HA 0.046 4.576 4.527 0.005 0.000 0.298 193 F C 2.594 178.345 175.800 -0.082 0.000 1.105 193 F CA 1.794 59.774 58.000 -0.034 0.000 1.239 193 F CB -1.002 38.008 39.000 0.018 0.000 0.991 193 F HN 0.715 nan 8.300 nan 0.000 0.474 194 A N 0.119 123.030 122.820 0.152 0.000 1.908 194 A HA -0.229 4.095 4.320 0.005 0.000 0.218 194 A C 2.088 179.612 177.584 -0.100 0.000 1.181 194 A CA 2.009 54.064 52.037 0.030 0.000 0.627 194 A CB -0.936 18.111 19.000 0.078 0.000 0.818 194 A HN 0.587 nan 8.150 nan 0.000 0.445 195 E N -0.335 119.826 120.200 -0.064 0.000 2.106 195 E HA -0.065 4.288 4.350 0.005 0.000 0.192 195 E C 2.298 178.820 176.600 -0.130 0.000 0.984 195 E CA 0.925 57.285 56.400 -0.065 0.000 0.806 195 E CB -0.281 29.408 29.700 -0.018 0.000 0.750 195 E HN 0.628 nan 8.360 nan 0.000 0.458 196 A N 1.663 124.357 122.820 -0.210 0.000 1.898 196 A HA -0.210 4.113 4.320 0.005 0.000 0.216 196 A C 2.069 179.432 177.584 -0.368 0.000 1.181 196 A CA 1.404 53.279 52.037 -0.270 0.000 0.620 196 A CB -0.332 18.476 19.000 -0.319 0.000 0.819 196 A HN 0.038 nan 8.150 nan 0.000 0.442 197 K N -0.537 119.517 120.400 -0.576 0.000 2.057 197 K HA -0.172 4.151 4.320 0.005 0.000 0.207 197 K C 1.733 177.982 176.600 -0.585 0.000 1.049 197 K CA 1.503 57.366 56.287 -0.706 0.000 0.931 197 K CB -0.103 31.849 32.500 -0.912 0.000 0.714 197 K HN 0.358 nan 8.250 nan 0.000 0.440 198 E N 0.104 120.116 120.200 -0.313 0.000 2.150 198 E HA -0.116 4.238 4.350 0.005 0.000 0.193 198 E C 1.787 178.380 176.600 -0.011 0.000 0.985 198 E CA 0.943 57.286 56.400 -0.095 0.000 0.814 198 E CB -0.055 29.638 29.700 -0.011 0.000 0.752 198 E HN 0.399 nan 8.360 nan 0.000 0.466 199 A N 0.756 123.550 122.820 -0.044 0.000 1.968 199 A HA -0.098 4.226 4.320 0.005 0.000 0.217 199 A C 2.212 179.842 177.584 0.076 0.000 1.169 199 A CA 0.724 52.789 52.037 0.046 0.000 0.638 199 A CB -0.405 18.616 19.000 0.037 0.000 0.812 199 A HN 0.204 nan 8.150 nan 0.000 0.446 200 L N -1.517 119.677 121.223 -0.049 0.000 2.056 200 L HA -0.113 4.231 4.340 0.005 0.000 0.207 200 L C 2.286 179.277 176.870 0.203 0.000 1.078 200 L CA 1.696 56.534 54.840 -0.002 0.000 0.749 200 L CB -0.603 41.375 42.059 -0.136 0.000 0.901 200 L HN 0.470 nan 8.230 nan 0.000 0.433 201 Y N -0.613 119.742 120.300 0.092 0.000 2.242 201 Y HA -0.218 4.336 4.550 0.005 0.000 0.291 201 Y C 2.501 178.462 175.900 0.101 0.000 1.137 201 Y CA 1.092 59.248 58.100 0.093 0.000 1.181 201 Y CB -1.041 37.454 38.460 0.058 0.000 0.989 201 Y HN 0.360 nan 8.280 nan 0.000 0.527 202 D N -0.996 119.563 120.400 0.264 0.000 2.149 202 D HA -0.259 4.384 4.640 0.005 0.000 0.198 202 D C 2.158 178.574 176.300 0.193 0.000 0.990 202 D CA 1.177 55.289 54.000 0.187 0.000 0.839 202 D CB -0.393 40.502 40.800 0.158 0.000 0.948 202 D HN 0.361 nan 8.370 nan 0.000 0.460 203 Y N 0.507 120.885 120.300 0.131 0.000 2.114 203 Y HA -0.083 4.470 4.550 0.006 0.000 0.284 203 Y C 1.981 177.939 175.900 0.097 0.000 1.143 203 Y CA 1.568 59.742 58.100 0.123 0.000 1.135 203 Y CB -0.259 38.300 38.460 0.164 0.000 0.980 203 Y HN -0.001 nan 8.280 nan 0.000 0.499 204 L N -0.431 120.939 121.223 0.245 0.000 2.217 204 L HA -0.149 4.194 4.340 0.005 0.000 0.211 204 L C 2.349 179.232 176.870 0.022 0.000 1.107 204 L CA 0.748 55.659 54.840 0.118 0.000 0.783 204 L CB -0.466 41.730 42.059 0.228 0.000 0.919 204 L HN 0.305 nan 8.230 nan 0.000 0.442 205 I N 0.540 121.133 120.570 0.038 0.000 2.087 205 I HA -0.269 3.905 4.170 0.005 0.000 0.240 205 I C -0.222 175.877 176.117 -0.029 0.000 1.054 205 I CA 1.843 63.143 61.300 0.000 0.000 1.311 205 I CB -1.416 36.593 38.000 0.014 0.000 1.024 205 I HN 0.257 nan 8.210 nan 0.000 0.402 206 P HA -0.109 nan 4.420 nan 0.000 0.219 206 P C 1.837 179.093 177.300 -0.074 0.000 1.150 206 P CA 1.598 64.661 63.100 -0.061 0.000 0.814 206 P CB -0.112 31.544 31.700 -0.072 0.000 0.787 207 I N -0.911 119.596 120.570 -0.105 0.000 2.252 207 I HA -0.180 3.993 4.170 0.005 0.000 0.245 207 I C 2.523 178.609 176.117 -0.052 0.000 1.102 207 I CA 1.179 62.421 61.300 -0.096 0.000 1.385 207 I CB -0.530 37.386 38.000 -0.140 0.000 1.064 207 I HN -0.174 nan 8.210 nan 0.000 0.414 208 I N 0.700 121.248 120.570 -0.036 0.000 2.226 208 I HA -0.281 3.893 4.170 0.005 0.000 0.245 208 I C 2.624 178.727 176.117 -0.024 0.000 1.100 208 I CA 1.364 62.651 61.300 -0.022 0.000 1.374 208 I CB -0.201 37.790 38.000 -0.015 0.000 1.057 208 I HN 0.212 nan 8.210 nan 0.000 0.413 209 E N 0.690 120.874 120.200 -0.028 0.000 2.077 209 E HA -0.278 4.076 4.350 0.005 0.000 0.193 209 E C 2.175 178.760 176.600 -0.025 0.000 0.989 209 E CA 1.352 57.737 56.400 -0.024 0.000 0.800 209 E CB -0.179 29.506 29.700 -0.024 0.000 0.746 209 E HN 0.277 nan 8.360 nan 0.000 0.452 210 Q N 0.429 120.210 119.800 -0.031 0.000 2.124 210 Q HA -0.141 4.202 4.340 0.005 0.000 0.202 210 Q C 1.910 177.895 176.000 -0.026 0.000 0.977 210 Q CA 1.507 57.292 55.803 -0.030 0.000 0.850 210 Q CB -0.030 28.685 28.738 -0.038 0.000 0.901 210 Q HN 0.295 nan 8.270 nan 0.000 0.429 211 R N -0.686 119.799 120.500 -0.026 0.000 2.275 211 R HA 0.066 4.410 4.340 0.005 0.000 0.199 211 R C 2.230 178.520 176.300 -0.017 0.000 0.989 211 R CA 0.275 56.362 56.100 -0.022 0.000 1.016 211 R CB 0.112 30.398 30.300 -0.022 0.000 0.918 211 R HN 0.122 nan 8.270 nan 0.000 0.473 212 R N 0.097 120.587 120.500 -0.016 0.000 2.100 212 R HA -0.001 4.343 4.340 0.005 0.000 0.220 212 R C 2.046 178.339 176.300 -0.013 0.000 1.091 212 R CA 0.781 56.873 56.100 -0.013 0.000 0.986 212 R CB 0.182 30.475 30.300 -0.012 0.000 0.888 212 R HN 0.134 nan 8.270 nan 0.000 0.444 213 Q N 0.654 120.445 119.800 -0.015 0.000 2.123 213 Q HA -0.022 4.322 4.340 0.005 0.000 0.199 213 Q C 0.108 176.100 176.000 -0.014 0.000 0.966 213 Q CA 1.272 57.067 55.803 -0.014 0.000 0.845 213 Q CB 0.363 29.092 28.738 -0.015 0.000 0.907 213 Q HN 0.197 nan 8.270 nan 0.000 0.439 214 K N 1.086 121.477 120.400 -0.016 0.000 2.687 214 K HA 0.374 4.697 4.320 0.005 0.000 0.197 214 K C -2.653 173.937 176.600 -0.017 0.000 1.049 214 K CA -1.582 54.695 56.287 -0.016 0.000 1.030 214 K CB 1.663 34.153 32.500 -0.016 0.000 1.261 214 K HN -0.092 nan 8.250 nan 0.000 0.565 215 P HA -0.004 nan 4.420 nan 0.000 0.267 215 P C 0.111 177.400 177.300 -0.017 0.000 1.205 215 P CA 0.110 63.200 63.100 -0.016 0.000 0.765 215 P CB 1.088 32.780 31.700 -0.014 0.000 0.828 216 G N 1.013 109.802 108.800 -0.020 0.000 2.971 216 G HA2 0.439 4.402 3.960 0.005 0.000 0.235 216 G HA3 0.439 4.402 3.960 0.005 0.000 0.235 216 G C 0.552 175.438 174.900 -0.023 0.000 1.351 216 G CA -0.243 44.844 45.100 -0.022 0.000 1.039 216 G HN 0.398 nan 8.290 nan 0.000 0.563 217 T N -1.641 112.897 114.554 -0.027 0.000 3.040 217 T HA 0.153 4.506 4.350 0.005 0.000 0.250 217 T C 0.644 175.321 174.700 -0.039 0.000 1.058 217 T CA 0.516 62.599 62.100 -0.029 0.000 0.988 217 T CB -0.218 68.633 68.868 -0.028 0.000 0.993 217 T HN 0.600 nan 8.240 nan 0.000 0.519 218 D N 1.249 121.622 120.400 -0.045 0.000 2.371 218 D HA 0.316 4.959 4.640 0.005 0.000 0.242 218 D C 1.444 177.706 176.300 -0.063 0.000 1.218 218 D CA -0.044 53.918 54.000 -0.065 0.000 0.945 218 D CB 1.445 42.204 40.800 -0.068 0.000 1.137 218 D HN 0.108 nan 8.370 nan 0.000 0.464 219 A N 1.242 124.007 122.820 -0.092 0.000 1.933 219 A HA -0.136 4.187 4.320 0.005 0.000 0.218 219 A C 2.379 179.942 177.584 -0.035 0.000 1.175 219 A CA 1.060 53.054 52.037 -0.071 0.000 0.628 219 A CB -0.725 18.205 19.000 -0.117 0.000 0.814 219 A HN 0.669 nan 8.150 nan 0.000 0.444 220 I N -0.495 120.054 120.570 -0.036 0.000 2.202 220 I HA -0.208 3.965 4.170 0.005 0.000 0.242 220 I C 2.670 178.782 176.117 -0.008 0.000 1.091 220 I CA 1.379 62.676 61.300 -0.005 0.000 1.368 220 I CB -0.418 37.585 38.000 0.005 0.000 1.058 220 I HN 0.214 nan 8.210 nan 0.000 0.410 221 S N 0.929 116.618 115.700 -0.019 0.000 2.370 221 S HA -0.127 4.346 4.470 0.005 0.000 0.226 221 S C 2.011 176.604 174.600 -0.011 0.000 1.033 221 S CA 1.174 59.364 58.200 -0.016 0.000 1.011 221 S CB -0.185 63.003 63.200 -0.021 0.000 0.852 221 S HN 0.277 nan 8.310 nan 0.000 0.457 222 I N 1.107 121.669 120.570 -0.013 0.000 2.315 222 I HA -0.070 4.103 4.170 0.005 0.000 0.248 222 I C 2.258 178.377 176.117 0.005 0.000 1.117 222 I CA 0.963 62.259 61.300 -0.007 0.000 1.404 222 I CB -1.398 36.596 38.000 -0.011 0.000 1.071 222 I HN 0.164 nan 8.210 nan 0.000 0.419 223 V N 1.359 121.280 119.914 0.012 0.000 2.307 223 V HA -0.190 3.933 4.120 0.005 0.000 0.245 223 V C 2.786 178.896 176.094 0.026 0.000 1.045 223 V CA 1.705 64.022 62.300 0.029 0.000 1.024 223 V CB -0.989 30.857 31.823 0.038 0.000 0.651 223 V HN 0.439 nan 8.190 nan 0.000 0.449 224 A N 0.204 123.033 122.820 0.015 0.000 2.019 224 A HA -0.191 4.132 4.320 0.005 0.000 0.219 224 A C 1.740 179.328 177.584 0.007 0.000 1.164 224 A CA 2.117 54.160 52.037 0.010 0.000 0.644 224 A CB -0.585 18.416 19.000 0.001 0.000 0.805 224 A HN 0.692 nan 8.150 nan 0.000 0.449 225 N N -0.875 117.827 118.700 0.004 0.000 2.187 225 N HA 0.289 5.032 4.740 0.005 0.000 0.212 225 N C 0.747 176.257 175.510 -0.001 0.000 1.152 225 N CA 0.360 53.409 53.050 -0.001 0.000 0.872 225 N CB 0.636 39.120 38.487 -0.006 0.000 1.025 225 N HN 0.403 nan 8.380 nan 0.000 0.514 226 G N 0.005 108.809 108.800 0.006 0.000 2.651 226 G HA2 0.288 4.251 3.960 0.005 0.000 0.260 226 G HA3 0.288 4.251 3.960 0.005 0.000 0.260 226 G C -0.377 174.518 174.900 -0.008 0.000 1.216 226 G CA -0.212 44.889 45.100 0.001 0.000 0.913 226 G HN 0.116 nan 8.290 nan 0.000 0.535 227 Q N -1.729 118.055 119.800 -0.025 0.000 2.387 227 Q HA 0.533 4.876 4.340 0.005 0.000 0.273 227 Q C -0.848 175.101 176.000 -0.085 0.000 1.089 227 Q CA -0.926 54.850 55.803 -0.046 0.000 0.824 227 Q CB 2.850 31.563 28.738 -0.043 0.000 1.367 227 Q HN 0.541 nan 8.270 nan 0.000 0.443 228 V N -0.296 119.537 119.914 -0.134 0.000 2.443 228 V HA 0.469 4.593 4.120 0.005 0.000 0.293 228 V C -0.558 175.413 176.094 -0.204 0.000 1.021 228 V CA -1.055 61.098 62.300 -0.244 0.000 0.848 228 V CB 1.280 32.798 31.823 -0.507 0.000 0.998 228 V HN 0.837 nan 8.190 nan 0.000 0.424 229 N N 3.664 122.265 118.700 -0.164 0.000 2.705 229 N HA -0.171 4.572 4.740 0.005 0.000 0.255 229 N C 1.296 176.753 175.510 -0.089 0.000 1.008 229 N CA 1.964 54.943 53.050 -0.118 0.000 0.742 229 N CB -1.188 37.224 38.487 -0.126 0.000 0.906 229 N HN 2.089 nan 8.380 nan 0.000 0.541 230 G N -1.525 107.231 108.800 -0.075 0.000 2.155 230 G HA2 -0.371 3.592 3.960 0.005 0.000 0.257 230 G HA3 -0.371 3.592 3.960 0.005 0.000 0.257 230 G C 0.036 174.907 174.900 -0.049 0.000 0.983 230 G CA 0.945 46.012 45.100 -0.054 0.000 0.676 230 G HN 0.926 nan 8.290 nan 0.000 0.528 231 R N -1.149 119.316 120.500 -0.059 0.000 2.795 231 R HA 0.775 5.118 4.340 0.005 0.000 0.275 231 R C -3.291 172.985 176.300 -0.041 0.000 0.981 231 R CA -2.589 53.485 56.100 -0.043 0.000 0.917 231 R CB 0.502 30.778 30.300 -0.041 0.000 1.202 231 R HN 0.037 nan 8.270 nan 0.000 0.469 232 P HA 0.094 nan 4.420 nan 0.000 0.271 232 P C -0.319 176.981 177.300 0.001 0.000 1.216 232 P CA -0.288 62.805 63.100 -0.012 0.000 0.771 232 P CB 0.526 32.222 31.700 -0.006 0.000 0.864 233 I N 2.510 123.088 120.570 0.014 0.000 2.696 233 I HA 0.086 4.259 4.170 0.005 0.000 0.284 233 I C 0.756 176.903 176.117 0.049 0.000 1.129 233 I CA 0.098 61.431 61.300 0.055 0.000 1.410 233 I CB 0.769 38.815 38.000 0.076 0.000 1.399 233 I HN 0.406 nan 8.210 nan 0.000 0.579 234 T N 2.271 116.864 114.554 0.065 0.000 2.899 234 T HA 0.199 4.552 4.350 0.005 0.000 0.284 234 T C 1.084 175.795 174.700 0.018 0.000 1.004 234 T CA -0.478 61.643 62.100 0.035 0.000 1.043 234 T CB 1.575 70.462 68.868 0.033 0.000 1.013 234 T HN 0.661 nan 8.240 nan 0.000 0.518 235 S N 0.714 116.413 115.700 -0.002 0.000 2.365 235 S HA -0.177 4.297 4.470 0.005 0.000 0.225 235 S C 1.688 176.261 174.600 -0.046 0.000 1.039 235 S CA 1.897 60.084 58.200 -0.020 0.000 1.033 235 S CB -0.729 62.456 63.200 -0.025 0.000 0.887 235 S HN 0.994 nan 8.310 nan 0.000 0.447 236 D N 0.706 121.075 120.400 -0.052 0.000 2.104 236 D HA -0.148 4.496 4.640 0.005 0.000 0.194 236 D C 1.920 178.162 176.300 -0.097 0.000 0.994 236 D CA 1.489 55.433 54.000 -0.093 0.000 0.830 236 D CB -0.144 40.617 40.800 -0.065 0.000 0.959 236 D HN 0.478 nan 8.370 nan 0.000 0.452 237 E N -0.144 120.036 120.200 -0.034 0.000 2.077 237 E HA -0.141 4.212 4.350 0.005 0.000 0.193 237 E C 2.181 178.773 176.600 -0.014 0.000 0.989 237 E CA 0.991 57.379 56.400 -0.020 0.000 0.800 237 E CB -0.213 29.556 29.700 0.115 0.000 0.746 237 E HN 0.390 nan 8.360 nan 0.000 0.452 238 A N 1.679 124.502 122.820 0.005 0.000 1.908 238 A HA -0.260 4.064 4.320 0.005 0.000 0.218 238 A C 2.074 179.645 177.584 -0.021 0.000 1.181 238 A CA 1.688 53.730 52.037 0.010 0.000 0.627 238 A CB -0.407 18.598 19.000 0.009 0.000 0.818 238 A HN 0.076 nan 8.150 nan 0.000 0.445 239 K N -0.416 119.935 120.400 -0.081 0.000 2.057 239 K HA -0.150 4.173 4.320 0.005 0.000 0.207 239 K C 2.235 178.763 176.600 -0.120 0.000 1.049 239 K CA 1.453 57.656 56.287 -0.141 0.000 0.931 239 K CB -0.168 32.136 32.500 -0.327 0.000 0.714 239 K HN 0.450 nan 8.250 nan 0.000 0.440 240 R N 0.020 120.432 120.500 -0.147 0.000 2.115 240 R HA -0.074 4.269 4.340 0.005 0.000 0.230 240 R C 2.349 178.689 176.300 0.066 0.000 1.111 240 R CA 1.532 57.666 56.100 0.056 0.000 0.976 240 R CB -0.168 30.125 30.300 -0.011 0.000 0.870 240 R HN 0.321 nan 8.270 nan 0.000 0.445 241 M N -0.289 119.306 119.600 -0.008 0.000 2.193 241 M HA -0.123 4.360 4.480 0.005 0.000 0.265 241 M C 1.941 178.218 176.300 -0.038 0.000 1.071 241 M CA 1.449 56.739 55.300 -0.017 0.000 1.140 241 M CB 0.028 32.645 32.600 0.029 0.000 1.369 241 M HN 0.207 nan 8.290 nan 0.000 0.423 242 C N 0.686 119.988 119.300 0.004 0.000 2.413 242 C HA -0.094 4.369 4.460 0.005 0.000 0.276 242 C C 2.766 177.741 174.990 -0.025 0.000 1.248 242 C CA 1.119 60.156 59.018 0.032 0.000 1.742 242 C CB -1.918 25.866 27.740 0.074 0.000 2.017 242 C HN 0.819 nan 8.230 nan 0.000 0.481 243 G N 0.313 109.088 108.800 -0.042 0.000 2.446 243 G HA2 -0.244 3.720 3.960 0.005 0.000 0.217 243 G HA3 -0.244 3.720 3.960 0.005 0.000 0.217 243 G C 1.513 175.930 174.900 -0.805 0.000 1.168 243 G CA 1.154 46.120 45.100 -0.223 0.000 0.771 243 G HN 0.483 nan 8.290 nan 0.000 0.551 244 L N 0.538 121.134 121.223 -1.045 0.000 2.046 244 L HA 0.077 4.421 4.340 0.005 0.000 0.208 244 L C 2.687 179.320 176.870 -0.396 0.000 1.077 244 L CA 1.384 55.674 54.840 -0.915 0.000 0.747 244 L CB -0.395 41.380 42.059 -0.473 0.000 0.896 244 L HN 0.237 nan 8.230 nan 0.000 0.432 245 L N -1.423 119.669 121.223 -0.218 0.000 2.093 245 L HA -0.221 4.122 4.340 0.005 0.000 0.208 245 L C 2.557 179.241 176.870 -0.310 0.000 1.085 245 L CA 1.116 55.899 54.840 -0.096 0.000 0.755 245 L CB -0.643 41.503 42.059 0.144 0.000 0.904 245 L HN 0.300 nan 8.230 nan 0.000 0.435 246 L N -0.692 120.386 121.223 -0.241 0.000 2.046 246 L HA -0.214 4.129 4.340 0.005 0.000 0.208 246 L C 2.541 179.147 176.870 -0.439 0.000 1.077 246 L CA 0.998 55.617 54.840 -0.369 0.000 0.747 246 L CB -0.341 41.648 42.059 -0.117 0.000 0.896 246 L HN 0.060 nan 8.230 nan 0.000 0.432 247 V N -0.224 119.496 119.914 -0.324 0.000 2.343 247 V HA -0.214 3.909 4.120 0.005 0.000 0.247 247 V C 2.585 178.562 176.094 -0.196 0.000 1.051 247 V CA 1.943 64.123 62.300 -0.200 0.000 1.036 247 V CB -1.220 30.563 31.823 -0.066 0.000 0.654 247 V HN 0.588 nan 8.190 nan 0.000 0.451 248 G N 0.161 108.828 108.800 -0.222 0.000 2.446 248 G HA2 -0.191 3.772 3.960 0.005 0.000 0.217 248 G HA3 -0.191 3.772 3.960 0.005 0.000 0.217 248 G C 1.632 176.365 174.900 -0.278 0.000 1.168 248 G CA 0.988 45.985 45.100 -0.171 0.000 0.771 248 G HN 0.589 nan 8.290 nan 0.000 0.551 249 G N 0.125 108.559 108.800 -0.611 0.000 2.422 249 G HA2 0.008 3.971 3.960 0.005 0.000 0.218 249 G HA3 0.008 3.971 3.960 0.005 0.000 0.218 249 G C 1.483 176.125 174.900 -0.430 0.000 1.140 249 G CA 0.692 45.333 45.100 -0.765 0.000 0.775 249 G HN 0.357 nan 8.290 nan 0.000 0.545 250 L N -0.585 120.418 121.223 -0.367 0.000 2.616 250 L HA 0.378 4.721 4.340 0.005 0.000 0.229 250 L C 0.669 177.469 176.870 -0.116 0.000 1.110 250 L CA 0.594 55.313 54.840 -0.201 0.000 0.884 250 L CB 0.835 42.780 42.059 -0.190 0.000 1.115 250 L HN 0.066 nan 8.230 nan 0.000 0.481 251 D N -2.182 118.159 120.400 -0.099 0.000 2.760 251 D HA 0.111 4.754 4.640 0.005 0.000 0.314 251 D C 1.096 177.398 176.300 0.003 0.000 1.464 251 D CA 0.838 54.817 54.000 -0.035 0.000 0.797 251 D CB 0.531 41.318 40.800 -0.022 0.000 1.149 251 D HN 0.224 nan 8.370 nan 0.000 0.455 252 T N -4.172 110.387 114.554 0.010 0.000 3.447 252 T HA 0.079 4.432 4.350 0.005 0.000 0.218 252 T C 1.838 176.607 174.700 0.114 0.000 0.972 252 T CA 0.545 62.678 62.100 0.055 0.000 1.264 252 T CB -0.544 68.352 68.868 0.045 0.000 1.284 252 T HN -0.162 nan 8.240 nan 0.000 0.361 253 V N 2.461 122.445 119.914 0.116 0.000 2.380 253 V HA -0.169 3.954 4.120 0.005 0.000 0.251 253 V C 2.926 179.136 176.094 0.193 0.000 1.063 253 V CA 1.684 64.103 62.300 0.198 0.000 1.055 253 V CB -1.069 30.848 31.823 0.157 0.000 0.657 253 V HN 0.427 nan 8.190 nan 0.000 0.455 254 V N 0.889 120.861 119.914 0.096 0.000 2.278 254 V HA -0.331 3.792 4.120 0.005 0.000 0.251 254 V C 2.309 178.435 176.094 0.054 0.000 1.062 254 V CA 2.534 64.868 62.300 0.058 0.000 1.038 254 V CB -0.787 31.036 31.823 0.001 0.000 0.646 254 V HN 0.638 nan 8.190 nan 0.000 0.447 255 N N -0.870 117.861 118.700 0.052 0.000 2.207 255 N HA -0.098 4.645 4.740 0.005 0.000 0.182 255 N C 1.757 177.259 175.510 -0.014 0.000 1.020 255 N CA 1.347 54.377 53.050 -0.033 0.000 0.858 255 N CB -0.386 38.114 38.487 0.022 0.000 0.991 255 N HN 0.514 nan 8.380 nan 0.000 0.427 256 F N 2.368 122.368 119.950 0.083 0.000 2.171 256 F HA -0.030 4.500 4.527 0.006 0.000 0.300 256 F C 2.102 177.974 175.800 0.120 0.000 1.090 256 F CA 0.914 59.018 58.000 0.175 0.000 1.293 256 F CB -0.312 38.757 39.000 0.114 0.000 1.013 256 F HN -0.088 nan 8.300 nan 0.000 0.486 257 L N -0.857 120.393 121.223 0.044 0.000 2.083 257 L HA -0.243 4.101 4.340 0.005 0.000 0.209 257 L C 2.480 179.314 176.870 -0.059 0.000 1.083 257 L CA 1.461 56.329 54.840 0.047 0.000 0.752 257 L CB -0.864 41.400 42.059 0.341 0.000 0.899 257 L HN 0.069 nan 8.230 nan 0.000 0.433 258 S N -0.736 114.923 115.700 -0.069 0.000 2.406 258 S HA -0.056 4.417 4.470 0.005 0.000 0.228 258 S C 1.724 176.072 174.600 -0.420 0.000 1.020 258 S CA 0.867 58.961 58.200 -0.177 0.000 0.965 258 S CB -0.206 62.907 63.200 -0.145 0.000 0.798 258 S HN 0.218 nan 8.310 nan 0.000 0.488 259 F N 2.195 121.888 119.950 -0.428 0.000 2.134 259 F HA -0.068 4.462 4.527 0.005 0.000 0.299 259 F C 2.735 177.998 175.800 -0.895 0.000 1.097 259 F CA 0.817 58.438 58.000 -0.632 0.000 1.264 259 F CB -0.977 37.664 39.000 -0.598 0.000 1.001 259 F HN 0.094 nan 8.300 nan 0.000 0.479 260 S N -0.265 115.025 115.700 -0.684 0.000 2.355 260 S HA -0.167 4.306 4.470 0.005 0.000 0.222 260 S C 2.126 176.505 174.600 -0.368 0.000 1.031 260 S CA 1.189 59.059 58.200 -0.551 0.000 0.993 260 S CB -0.253 62.644 63.200 -0.505 0.000 0.859 260 S HN 0.197 nan 8.310 nan 0.000 0.453 261 M N 1.248 120.547 119.600 -0.503 0.000 2.175 261 M HA -0.039 4.445 4.480 0.005 0.000 0.264 261 M C 2.210 178.280 176.300 -0.385 0.000 1.063 261 M CA 1.164 56.094 55.300 -0.617 0.000 1.119 261 M CB -1.204 30.551 32.600 -1.409 0.000 1.377 261 M HN 0.438 nan 8.290 nan 0.000 0.415 262 E N 0.096 120.089 120.200 -0.346 0.000 2.058 262 E HA -0.244 4.109 4.350 0.005 0.000 0.194 262 E C 1.981 178.496 176.600 -0.141 0.000 0.997 262 E CA 1.377 57.667 56.400 -0.184 0.000 0.801 262 E CB -0.204 29.436 29.700 -0.100 0.000 0.746 262 E HN 0.355 nan 8.360 nan 0.000 0.450 263 F N 1.406 121.158 119.950 -0.329 0.000 2.069 263 F HA -0.196 4.335 4.527 0.007 0.000 0.298 263 F C 1.998 177.700 175.800 -0.164 0.000 1.113 263 F CA 1.555 59.407 58.000 -0.247 0.000 1.214 263 F CB -0.351 38.431 39.000 -0.363 0.000 0.978 263 F HN 0.007 nan 8.300 nan 0.000 0.474 264 L N 0.003 121.075 121.223 -0.252 0.000 2.083 264 L HA -0.194 4.149 4.340 0.005 0.000 0.209 264 L C 2.770 179.364 176.870 -0.460 0.000 1.083 264 L CA 1.122 55.780 54.840 -0.304 0.000 0.752 264 L CB -1.218 40.843 42.059 0.003 0.000 0.899 264 L HN 0.284 nan 8.230 nan 0.000 0.433 265 A N 0.002 122.639 122.820 -0.304 0.000 2.019 265 A HA -0.180 4.143 4.320 0.005 0.000 0.219 265 A C 2.167 179.575 177.584 -0.293 0.000 1.164 265 A CA 1.443 53.289 52.037 -0.319 0.000 0.644 265 A CB -0.245 18.754 19.000 -0.001 0.000 0.805 265 A HN 0.363 nan 8.150 nan 0.000 0.449 266 K N -0.855 119.361 120.400 -0.305 0.000 2.404 266 K HA 0.158 4.481 4.320 0.005 0.000 0.194 266 K C 0.106 176.514 176.600 -0.320 0.000 1.023 266 K CA 0.348 56.484 56.287 -0.253 0.000 1.094 266 K CB 0.350 32.743 32.500 -0.178 0.000 0.841 266 K HN 0.208 nan 8.250 nan 0.000 0.523 267 S N 1.184 116.610 115.700 -0.457 0.000 2.389 267 S HA 0.257 4.730 4.470 0.005 0.000 0.201 267 S C -2.319 172.142 174.600 -0.232 0.000 1.422 267 S CA -1.668 56.314 58.200 -0.364 0.000 1.216 267 S CB 0.738 63.555 63.200 -0.639 0.000 1.130 267 S HN -0.113 nan 8.310 nan 0.000 0.465 268 P HA -0.112 nan 4.420 nan 0.000 0.216 268 P C 1.050 178.301 177.300 -0.082 0.000 1.150 268 P CA 1.135 64.150 63.100 -0.142 0.000 0.837 268 P CB 0.221 31.856 31.700 -0.108 0.000 0.786 269 E N -1.641 118.518 120.200 -0.067 0.000 2.150 269 E HA -0.191 4.162 4.350 0.005 0.000 0.193 269 E C 1.830 178.358 176.600 -0.121 0.000 0.985 269 E CA 0.923 57.265 56.400 -0.097 0.000 0.814 269 E CB -0.465 29.153 29.700 -0.136 0.000 0.752 269 E HN 0.482 nan 8.360 nan 0.000 0.466 270 H N 0.061 119.097 119.070 -0.057 0.000 2.428 270 H HA 0.073 4.632 4.556 0.005 0.000 0.296 270 H C 2.024 177.449 175.328 0.162 0.000 1.062 270 H CA 0.894 56.979 56.048 0.063 0.000 1.350 270 H CB 0.195 29.978 29.762 0.036 0.000 1.403 270 H HN -0.014 nan 8.280 nan 0.000 0.533 271 R N 0.345 120.915 120.500 0.117 0.000 2.073 271 R HA -0.171 4.172 4.340 0.005 0.000 0.234 271 R C 2.261 178.611 176.300 0.084 0.000 1.134 271 R CA 1.460 57.605 56.100 0.075 0.000 0.952 271 R CB -0.219 30.033 30.300 -0.079 0.000 0.850 271 R HN 0.439 nan 8.270 nan 0.000 0.433 272 Q N 1.193 121.017 119.800 0.039 0.000 2.096 272 Q HA -0.249 4.094 4.340 0.005 0.000 0.204 272 Q C 2.000 178.037 176.000 0.062 0.000 0.982 272 Q CA 1.846 57.669 55.803 0.033 0.000 0.850 272 Q CB 0.010 28.748 28.738 0.001 0.000 0.901 272 Q HN 0.384 nan 8.270 nan 0.000 0.422 273 E N -0.096 120.159 120.200 0.092 0.000 2.118 273 E HA -0.190 4.164 4.350 0.005 0.000 0.195 273 E C 1.931 178.618 176.600 0.145 0.000 0.992 273 E CA 1.148 57.627 56.400 0.131 0.000 0.804 273 E CB -0.046 29.772 29.700 0.197 0.000 0.741 273 E HN 0.466 nan 8.360 nan 0.000 0.458 274 L N 0.217 121.539 121.223 0.165 0.000 2.270 274 L HA -0.004 4.340 4.340 0.005 0.000 0.210 274 L C 2.347 179.261 176.870 0.073 0.000 1.104 274 L CA 0.211 55.110 54.840 0.099 0.000 0.804 274 L CB -0.139 41.973 42.059 0.087 0.000 0.937 274 L HN 0.198 nan 8.230 nan 0.000 0.450 275 I N -0.240 120.377 120.570 0.078 0.000 2.252 275 I HA -0.277 3.896 4.170 0.005 0.000 0.245 275 I C 2.571 178.714 176.117 0.044 0.000 1.102 275 I CA 1.362 62.696 61.300 0.057 0.000 1.385 275 I CB -0.149 37.883 38.000 0.052 0.000 1.064 275 I HN 0.306 nan 8.210 nan 0.000 0.414 276 Q N 0.358 120.186 119.800 0.046 0.000 2.123 276 Q HA -0.021 4.323 4.340 0.005 0.000 0.199 276 Q C 0.590 176.612 176.000 0.037 0.000 0.966 276 Q CA 0.958 56.783 55.803 0.037 0.000 0.845 276 Q CB 0.173 28.932 28.738 0.036 0.000 0.907 276 Q HN 0.394 nan 8.270 nan 0.000 0.439 277 R N 0.548 121.075 120.500 0.045 0.000 2.585 277 R HA 0.170 4.514 4.340 0.005 0.000 0.278 277 R C -2.153 174.167 176.300 0.033 0.000 1.663 277 R CA -1.264 54.860 56.100 0.039 0.000 1.592 277 R CB 1.161 31.489 30.300 0.046 0.000 1.200 277 R HN 0.051 nan 8.270 nan 0.000 0.611 278 P HA -0.220 nan 4.420 nan 0.000 0.222 278 P C 0.892 178.200 177.300 0.015 0.000 1.147 278 P CA 1.204 64.317 63.100 0.022 0.000 0.790 278 P CB 0.369 32.083 31.700 0.023 0.000 0.780 279 E N 0.843 121.054 120.200 0.018 0.000 2.478 279 E HA -0.144 4.209 4.350 0.005 0.000 0.198 279 E C 1.515 178.122 176.600 0.011 0.000 1.046 279 E CA 0.560 56.970 56.400 0.017 0.000 0.870 279 E CB -0.571 29.141 29.700 0.020 0.000 0.818 279 E HN 0.290 nan 8.360 nan 0.000 0.527 280 R N 0.249 120.752 120.500 0.004 0.000 2.310 280 R HA 0.254 4.598 4.340 0.005 0.000 0.202 280 R C 2.174 178.426 176.300 -0.080 0.000 0.933 280 R CA 0.071 56.162 56.100 -0.014 0.000 1.054 280 R CB -0.087 30.218 30.300 0.009 0.000 0.985 280 R HN 0.228 nan 8.270 nan 0.000 0.489 281 I N 1.344 121.877 120.570 -0.061 0.000 2.226 281 I HA -0.191 3.982 4.170 0.005 0.000 0.245 281 I C -0.830 175.247 176.117 -0.066 0.000 1.100 281 I CA 1.295 62.542 61.300 -0.088 0.000 1.374 281 I CB -0.939 37.043 38.000 -0.031 0.000 1.057 281 I HN 0.027 nan 8.210 nan 0.000 0.413 282 P HA -0.161 nan 4.420 nan 0.000 0.216 282 P C 1.478 178.783 177.300 0.008 0.000 1.153 282 P CA 1.742 64.852 63.100 0.016 0.000 0.848 282 P CB 0.020 31.739 31.700 0.031 0.000 0.787 283 A N -0.242 122.572 122.820 -0.010 0.000 1.929 283 A HA -0.031 4.292 4.320 0.005 0.000 0.216 283 A C 2.272 179.836 177.584 -0.033 0.000 1.176 283 A CA 1.780 53.824 52.037 0.011 0.000 0.628 283 A CB -1.532 17.488 19.000 0.033 0.000 0.816 283 A HN 0.172 nan 8.150 nan 0.000 0.444 284 A N -0.872 121.814 122.820 -0.223 0.000 1.902 284 A HA -0.214 4.109 4.320 0.005 0.000 0.217 284 A C 2.392 179.865 177.584 -0.184 0.000 1.181 284 A CA 1.653 53.339 52.037 -0.585 0.000 0.623 284 A CB -1.473 16.713 19.000 -1.357 0.000 0.818 284 A HN 0.870 nan 8.150 nan 0.000 0.443 285 C N -0.523 118.734 119.300 -0.072 0.000 2.401 285 C HA -0.150 4.314 4.460 0.005 0.000 0.276 285 C C 2.586 177.629 174.990 0.087 0.000 1.233 285 C CA 1.911 60.974 59.018 0.074 0.000 1.753 285 C CB -1.086 26.707 27.740 0.087 0.000 2.029 285 C HN 0.692 nan 8.230 nan 0.000 0.478 286 E N 0.533 120.773 120.200 0.066 0.000 2.106 286 E HA -0.168 4.185 4.350 0.005 0.000 0.192 286 E C 2.056 178.683 176.600 0.045 0.000 0.984 286 E CA 1.655 58.097 56.400 0.070 0.000 0.806 286 E CB -0.329 29.446 29.700 0.125 0.000 0.750 286 E HN 0.765 nan 8.360 nan 0.000 0.458 287 E N -0.072 120.186 120.200 0.097 0.000 2.106 287 E HA -0.096 4.257 4.350 0.005 0.000 0.192 287 E C 1.821 178.453 176.600 0.054 0.000 0.984 287 E CA 0.986 57.444 56.400 0.098 0.000 0.806 287 E CB -0.236 29.599 29.700 0.224 0.000 0.750 287 E HN 0.345 nan 8.360 nan 0.000 0.458 288 L N -0.100 121.223 121.223 0.166 0.000 2.093 288 L HA -0.086 4.258 4.340 0.005 0.000 0.208 288 L C 2.425 179.502 176.870 0.345 0.000 1.085 288 L CA 0.664 55.684 54.840 0.299 0.000 0.755 288 L CB -0.338 41.969 42.059 0.414 0.000 0.904 288 L HN 0.194 nan 8.230 nan 0.000 0.435 289 L N -0.530 120.740 121.223 0.078 0.000 2.131 289 L HA -0.201 4.142 4.340 0.005 0.000 0.210 289 L C 2.841 179.435 176.870 -0.460 0.000 1.092 289 L CA 1.086 55.697 54.840 -0.382 0.000 0.759 289 L CB -0.383 41.268 42.059 -0.680 0.000 0.903 289 L HN 0.257 nan 8.230 nan 0.000 0.435 290 R N 0.170 120.450 120.500 -0.368 0.000 2.055 290 R HA -0.176 4.167 4.340 0.005 0.000 0.228 290 R C 2.479 178.598 176.300 -0.302 0.000 1.143 290 R CA 1.325 57.242 56.100 -0.304 0.000 0.945 290 R CB -0.104 30.114 30.300 -0.137 0.000 0.841 290 R HN 0.041 nan 8.270 nan 0.000 0.429 291 R N -0.069 120.209 120.500 -0.369 0.000 2.096 291 R HA -0.094 4.249 4.340 0.005 0.000 0.235 291 R C 0.703 176.434 176.300 -0.950 0.000 1.127 291 R CA 1.615 57.298 56.100 -0.694 0.000 0.968 291 R CB -0.222 29.498 30.300 -0.966 0.000 0.861 291 R HN 0.242 nan 8.270 nan 0.000 0.440 292 F N 0.166 120.008 119.950 -0.181 0.000 2.850 292 F HA 0.414 4.944 4.527 0.006 0.000 0.306 292 F C 0.465 176.138 175.800 -0.211 0.000 1.162 292 F CA -0.486 57.354 58.000 -0.266 0.000 1.327 292 F CB -0.068 38.788 39.000 -0.241 0.000 0.953 292 F HN -0.139 nan 8.300 nan 0.000 0.507 293 S N 1.768 117.353 115.700 -0.191 0.000 2.558 293 S HA 0.168 4.641 4.470 0.005 0.000 0.287 293 S C 0.916 175.334 174.600 -0.304 0.000 1.321 293 S CA 0.107 58.150 58.200 -0.263 0.000 1.048 293 S CB 0.410 63.423 63.200 -0.311 0.000 0.844 293 S HN 0.566 nan 8.310 nan 0.000 0.512 294 L N 2.305 123.373 121.223 -0.259 0.000 3.515 294 L HA 0.576 4.920 4.340 0.005 0.000 0.322 294 L C -0.824 175.898 176.870 -0.248 0.000 1.225 294 L CA -0.551 54.147 54.840 -0.236 0.000 1.104 294 L CB 0.244 42.324 42.059 0.034 0.000 1.506 294 L HN 0.347 nan 8.230 nan 0.000 0.624 295 V N 1.715 121.467 119.914 -0.269 0.000 2.630 295 V HA 0.872 4.995 4.120 0.005 0.000 0.305 295 V C 0.152 176.056 176.094 -0.316 0.000 1.046 295 V CA 0.022 62.179 62.300 -0.237 0.000 0.934 295 V CB 1.611 33.339 31.823 -0.158 0.000 1.003 295 V HN 0.324 nan 8.190 nan 0.000 0.451 296 A N 3.044 125.692 122.820 -0.287 0.000 2.611 296 A HA 0.688 5.011 4.320 0.005 0.000 0.282 296 A C -0.797 176.688 177.584 -0.165 0.000 1.114 296 A CA -0.618 51.276 52.037 -0.239 0.000 0.800 296 A CB 0.694 19.468 19.000 -0.375 0.000 1.325 296 A HN 0.851 nan 8.150 nan 0.000 0.411 297 D N 1.383 121.735 120.400 -0.080 0.000 2.726 297 D HA 0.875 5.518 4.640 0.005 0.000 0.241 297 D C 0.522 176.849 176.300 0.045 0.000 1.150 297 D CA 0.035 53.989 54.000 -0.077 0.000 1.089 297 D CB 0.937 41.716 40.800 -0.035 0.000 1.260 297 D HN 1.143 nan 8.370 nan 0.000 0.637 298 G N -1.862 106.983 108.800 0.075 0.000 2.435 298 G HA2 0.490 4.453 3.960 0.005 0.000 0.296 298 G HA3 0.490 4.453 3.960 0.005 0.000 0.296 298 G C -1.261 173.665 174.900 0.045 0.000 1.240 298 G CA -0.743 44.385 45.100 0.047 0.000 0.872 298 G HN 0.475 nan 8.290 nan 0.000 0.480 299 R N -1.252 119.266 120.500 0.030 0.000 2.846 299 R HA 0.695 5.039 4.340 0.005 0.000 0.263 299 R C -1.363 175.016 176.300 0.131 0.000 1.080 299 R CA -0.783 55.369 56.100 0.086 0.000 0.961 299 R CB 1.633 32.010 30.300 0.128 0.000 1.231 299 R HN 0.611 nan 8.270 nan 0.000 0.465 300 I N 1.547 122.199 120.570 0.138 0.000 2.545 300 I HA 0.267 4.440 4.170 0.005 0.000 0.292 300 I C -0.704 175.481 176.117 0.114 0.000 1.040 300 I CA -1.012 60.369 61.300 0.135 0.000 1.068 300 I CB 1.382 39.434 38.000 0.088 0.000 1.251 300 I HN 0.213 nan 8.210 nan 0.000 0.424 301 L N 6.471 127.762 121.223 0.113 0.000 2.410 301 L HA 0.125 4.468 4.340 0.005 0.000 0.273 301 L C 1.582 178.444 176.870 -0.013 0.000 1.152 301 L CA 0.435 55.269 54.840 -0.010 0.000 0.855 301 L CB 1.047 43.124 42.059 0.031 0.000 1.129 301 L HN 0.772 nan 8.230 nan 0.000 0.463 302 T N -1.671 112.837 114.554 -0.077 0.000 3.067 302 T HA 0.051 4.404 4.350 0.005 0.000 0.261 302 T C 0.745 175.415 174.700 -0.049 0.000 1.110 302 T CA 0.481 62.544 62.100 -0.062 0.000 1.113 302 T CB 0.158 68.960 68.868 -0.109 0.000 0.917 302 T HN 0.646 nan 8.240 nan 0.000 0.499 303 S N -0.170 115.505 115.700 -0.041 0.000 2.615 303 S HA 0.410 4.883 4.470 0.005 0.000 0.268 303 S C -2.130 172.497 174.600 0.045 0.000 1.146 303 S CA -1.142 57.058 58.200 0.000 0.000 0.818 303 S CB 0.964 64.157 63.200 -0.010 0.000 1.111 303 S HN 0.050 nan 8.310 nan 0.000 0.465 304 D N 1.148 121.579 120.400 0.051 0.000 2.472 304 D HA 0.408 5.052 4.640 0.005 0.000 0.237 304 D C -0.690 175.703 176.300 0.156 0.000 1.141 304 D CA 1.129 55.171 54.000 0.071 0.000 0.875 304 D CB 0.037 40.859 40.800 0.036 0.000 1.192 304 D HN 0.576 nan 8.370 nan 0.000 0.450 305 Y N 0.200 120.468 120.300 -0.054 0.000 2.480 305 Y HA 0.172 4.725 4.550 0.005 0.000 0.329 305 Y C -1.247 174.612 175.900 -0.069 0.000 1.127 305 Y CA -1.025 57.011 58.100 -0.108 0.000 1.037 305 Y CB 1.255 39.564 38.460 -0.252 0.000 1.320 305 Y HN 0.339 nan 8.280 nan 0.000 0.446 306 E N 5.967 125.869 120.200 -0.497 0.000 2.130 306 E HA 0.357 4.710 4.350 0.005 0.000 0.284 306 E C -1.934 174.225 176.600 -0.736 0.000 1.018 306 E CA -0.454 55.678 56.400 -0.447 0.000 0.817 306 E CB 0.566 30.127 29.700 -0.233 0.000 1.078 306 E HN 0.455 nan 8.360 nan 0.000 0.396 307 F N 5.329 124.887 119.950 -0.653 0.000 2.477 307 F HA 0.260 4.790 4.527 0.005 0.000 0.335 307 F C -0.284 175.445 175.800 -0.118 0.000 1.130 307 F CA -0.626 57.120 58.000 -0.423 0.000 0.948 307 F CB 0.590 39.460 39.000 -0.217 0.000 1.154 307 F HN 0.675 nan 8.300 nan 0.000 0.439 308 H N 4.171 122.946 119.070 -0.492 0.000 2.713 308 H HA -0.198 4.362 4.556 0.006 0.000 0.311 308 H C 1.391 176.572 175.328 -0.245 0.000 1.175 308 H CA 1.133 56.933 56.048 -0.414 0.000 1.143 308 H CB -1.043 28.378 29.762 -0.568 0.000 1.434 308 H HN 1.194 nan 8.280 nan 0.000 0.418 309 G N -1.172 107.543 108.800 -0.140 0.000 2.179 309 G HA2 -0.314 3.650 3.960 0.005 0.000 0.260 309 G HA3 -0.314 3.650 3.960 0.005 0.000 0.260 309 G C 0.223 175.087 174.900 -0.059 0.000 0.977 309 G CA 0.291 45.341 45.100 -0.083 0.000 0.641 309 G HN 0.472 nan 8.290 nan 0.000 0.533 310 V N 1.403 121.259 119.914 -0.098 0.000 2.448 310 V HA 0.508 4.631 4.120 0.005 0.000 0.295 310 V C 0.237 176.250 176.094 -0.135 0.000 1.025 310 V CA -1.129 61.101 62.300 -0.117 0.000 0.859 310 V CB 1.871 33.547 31.823 -0.246 0.000 0.988 310 V HN 0.264 nan 8.190 nan 0.000 0.431 311 Q N 4.275 124.053 119.800 -0.037 0.000 2.286 311 Q HA 0.445 4.788 4.340 0.005 0.000 0.267 311 Q C -0.836 175.221 176.000 0.095 0.000 1.028 311 Q CA 0.168 55.982 55.803 0.019 0.000 0.901 311 Q CB 1.213 30.008 28.738 0.096 0.000 1.183 311 Q HN 0.597 nan 8.270 nan 0.000 0.392 312 L N 2.166 123.416 121.223 0.046 0.000 2.334 312 L HA 0.559 4.902 4.340 0.005 0.000 0.273 312 L C 0.171 177.152 176.870 0.185 0.000 1.013 312 L CA -0.744 54.200 54.840 0.172 0.000 0.816 312 L CB 1.565 43.641 42.059 0.028 0.000 1.278 312 L HN 0.313 nan 8.230 nan 0.000 0.431 313 K N 2.306 122.845 120.400 0.232 0.000 2.207 313 K HA 0.292 4.615 4.320 0.005 0.000 0.255 313 K C -0.502 176.144 176.600 0.076 0.000 0.941 313 K CA -0.846 55.440 56.287 -0.001 0.000 0.825 313 K CB 1.740 33.965 32.500 -0.460 0.000 1.119 313 K HN 0.478 nan 8.250 nan 0.000 0.430 314 K N 2.012 122.428 120.400 0.027 0.000 2.504 314 K HA -0.100 4.223 4.320 0.005 0.000 0.278 314 K C 0.525 177.165 176.600 0.066 0.000 1.025 314 K CA 1.774 58.085 56.287 0.039 0.000 1.093 314 K CB -0.170 32.339 32.500 0.014 0.000 0.873 314 K HN 0.883 nan 8.250 nan 0.000 0.483 315 G N 3.092 111.946 108.800 0.090 0.000 2.195 315 G HA2 -0.215 3.748 3.960 0.005 0.000 0.246 315 G HA3 -0.215 3.748 3.960 0.005 0.000 0.246 315 G C -0.308 174.703 174.900 0.184 0.000 0.984 315 G CA 0.175 45.342 45.100 0.111 0.000 0.633 315 G HN 0.724 nan 8.290 nan 0.000 0.525 316 D N 1.359 121.919 120.400 0.266 0.000 2.372 316 D HA 0.443 5.087 4.640 0.005 0.000 0.243 316 D C 0.847 177.373 176.300 0.376 0.000 1.121 316 D CA 0.419 54.676 54.000 0.429 0.000 0.898 316 D CB 0.567 41.790 40.800 0.705 0.000 1.202 316 D HN 0.493 nan 8.370 nan 0.000 0.428 317 Q N 0.875 120.882 119.800 0.344 0.000 2.230 317 Q HA 0.594 4.937 4.340 0.005 0.000 0.253 317 Q C -0.403 175.797 176.000 0.334 0.000 0.919 317 Q CA -0.592 55.358 55.803 0.246 0.000 0.908 317 Q CB 2.506 31.312 28.738 0.114 0.000 1.245 317 Q HN 0.448 nan 8.270 nan 0.000 0.437 318 I N 2.765 123.499 120.570 0.273 0.000 2.478 318 I HA 0.245 4.418 4.170 0.005 0.000 0.287 318 I C -1.624 174.553 176.117 0.100 0.000 1.042 318 I CA -1.103 60.368 61.300 0.286 0.000 1.067 318 I CB 1.225 39.398 38.000 0.289 0.000 1.233 318 I HN 0.498 nan 8.210 nan 0.000 0.431 319 L N 8.468 129.760 121.223 0.115 0.000 2.319 319 L HA 0.428 4.772 4.340 0.005 0.000 0.280 319 L C -1.155 175.728 176.870 0.022 0.000 1.099 319 L CA 0.230 55.092 54.840 0.037 0.000 0.828 319 L CB 0.758 42.854 42.059 0.063 0.000 1.150 319 L HN 0.532 nan 8.230 nan 0.000 0.442 320 L N 7.820 129.023 121.223 -0.032 0.000 2.445 320 L HA 0.406 4.749 4.340 0.005 0.000 0.252 320 L C -2.226 174.687 176.870 0.072 0.000 1.105 320 L CA -1.743 53.038 54.840 -0.099 0.000 0.943 320 L CB 0.952 42.709 42.059 -0.503 0.000 1.277 320 L HN 0.482 nan 8.230 nan 0.000 0.465 321 P HA 0.113 nan 4.420 nan 0.000 0.269 321 P C 0.157 177.436 177.300 -0.036 0.000 1.252 321 P CA -0.127 62.964 63.100 -0.015 0.000 0.780 321 P CB 1.017 32.727 31.700 0.017 0.000 0.829 322 Q N 2.594 122.368 119.800 -0.045 0.000 2.181 322 Q HA -0.173 4.170 4.340 0.005 0.000 0.205 322 Q C 1.934 177.847 176.000 -0.144 0.000 0.980 322 Q CA 1.599 57.364 55.803 -0.064 0.000 0.862 322 Q CB -0.547 28.123 28.738 -0.112 0.000 0.905 322 Q HN 0.509 nan 8.270 nan 0.000 0.429 323 M N -0.398 119.051 119.600 -0.251 0.000 2.106 323 M HA -0.223 4.260 4.480 0.005 0.000 0.259 323 M C 1.097 177.268 176.300 -0.213 0.000 1.068 323 M CA 1.448 56.567 55.300 -0.301 0.000 1.100 323 M CB 0.049 32.350 32.600 -0.499 0.000 1.351 323 M HN 0.272 nan 8.290 nan 0.000 0.404 324 L N 0.037 121.163 121.223 -0.161 0.000 2.141 324 L HA -0.123 4.220 4.340 0.005 0.000 0.209 324 L C 2.485 179.300 176.870 -0.092 0.000 1.094 324 L CA 1.505 56.282 54.840 -0.105 0.000 0.763 324 L CB -0.853 41.166 42.059 -0.066 0.000 0.908 324 L HN 0.294 nan 8.230 nan 0.000 0.437 325 S N -0.355 115.297 115.700 -0.081 0.000 2.359 325 S HA -0.162 4.311 4.470 0.005 0.000 0.224 325 S C 1.979 176.541 174.600 -0.064 0.000 1.035 325 S CA 1.361 59.518 58.200 -0.072 0.000 1.018 325 S CB -0.907 62.252 63.200 -0.068 0.000 0.876 325 S HN 0.569 nan 8.310 nan 0.000 0.448 326 G N 0.620 109.386 108.800 -0.057 0.000 2.712 326 G HA2 0.116 4.079 3.960 0.005 0.000 0.212 326 G HA3 0.116 4.079 3.960 0.005 0.000 0.212 326 G C 1.115 175.966 174.900 -0.082 0.000 1.142 326 G CA 0.010 45.084 45.100 -0.043 0.000 0.789 326 G HN 0.435 nan 8.290 nan 0.000 0.535 327 L N 0.206 121.366 121.223 -0.104 0.000 2.558 327 L HA 0.150 4.494 4.340 0.005 0.000 0.225 327 L C 0.596 177.417 176.870 -0.082 0.000 1.128 327 L CA -0.203 54.571 54.840 -0.111 0.000 0.868 327 L CB 0.051 42.035 42.059 -0.125 0.000 1.006 327 L HN 0.046 nan 8.230 nan 0.000 0.454 328 D N 1.130 121.486 120.400 -0.074 0.000 2.371 328 D HA -0.072 4.572 4.640 0.005 0.000 0.256 328 D C 1.043 177.311 176.300 -0.053 0.000 1.193 328 D CA 0.379 54.340 54.000 -0.065 0.000 0.881 328 D CB 1.293 42.051 40.800 -0.068 0.000 1.143 328 D HN 0.113 nan 8.370 nan 0.000 0.473 329 E N 2.842 123.014 120.200 -0.047 0.000 2.209 329 E HA -0.187 4.166 4.350 0.005 0.000 0.196 329 E C 1.378 177.960 176.600 -0.031 0.000 0.993 329 E CA 0.775 57.154 56.400 -0.036 0.000 0.819 329 E CB 0.296 29.977 29.700 -0.031 0.000 0.745 329 E HN 0.439 nan 8.360 nan 0.000 0.477 330 R N -0.076 120.402 120.500 -0.036 0.000 2.280 330 R HA -0.031 4.312 4.340 0.005 0.000 0.207 330 R C 1.760 178.041 176.300 -0.031 0.000 1.043 330 R CA 0.673 56.754 56.100 -0.033 0.000 1.006 330 R CB 0.106 30.384 30.300 -0.038 0.000 0.885 330 R HN 0.195 nan 8.270 nan 0.000 0.467 331 E N -0.219 119.961 120.200 -0.034 0.000 2.244 331 E HA 0.114 4.467 4.350 0.005 0.000 0.196 331 E C -0.175 176.412 176.600 -0.022 0.000 0.939 331 E CA 0.262 56.643 56.400 -0.031 0.000 0.884 331 E CB 0.603 30.278 29.700 -0.042 0.000 0.850 331 E HN 0.189 nan 8.360 nan 0.000 0.481 332 N N 0.391 119.077 118.700 -0.023 0.000 2.454 332 N HA 0.282 5.025 4.740 0.005 0.000 0.291 332 N C -1.142 174.361 175.510 -0.012 0.000 1.079 332 N CA -0.161 52.880 53.050 -0.014 0.000 0.893 332 N CB 2.065 40.540 38.487 -0.020 0.000 1.512 332 N HN -0.023 nan 8.380 nan 0.000 0.497 333 A N 0.550 123.369 122.820 -0.002 0.000 2.445 333 A HA 0.258 4.581 4.320 0.005 0.000 0.242 333 A C 0.714 178.303 177.584 0.008 0.000 1.075 333 A CA -0.001 52.035 52.037 -0.000 0.000 0.777 333 A CB -0.127 18.875 19.000 0.003 0.000 1.013 333 A HN 0.955 nan 8.150 nan 0.000 0.493 334 C N 2.104 121.405 119.300 0.003 0.000 3.514 334 C HA -0.094 4.369 4.460 0.005 0.000 0.286 334 C C -0.379 174.624 174.990 0.021 0.000 1.302 334 C CA 0.063 59.090 59.018 0.014 0.000 2.239 334 C CB -2.173 25.582 27.740 0.024 0.000 1.429 334 C HN 0.862 nan 8.230 nan 0.000 0.565 335 P HA -0.144 nan 4.420 nan 0.000 0.221 335 P C 1.371 178.619 177.300 -0.087 0.000 1.150 335 P CA 1.458 64.527 63.100 -0.051 0.000 0.800 335 P CB 0.022 31.685 31.700 -0.062 0.000 0.787 336 M N -1.563 118.002 119.600 -0.058 0.000 2.595 336 M HA 0.024 4.507 4.480 0.005 0.000 0.248 336 M C 1.285 177.552 176.300 -0.056 0.000 1.119 336 M CA 0.370 55.618 55.300 -0.087 0.000 1.079 336 M CB -1.732 30.843 32.600 -0.041 0.000 1.472 336 M HN 0.108 nan 8.290 nan 0.000 0.501 337 H N 0.931 119.941 119.070 -0.099 0.000 2.548 337 H HA 0.325 4.884 4.556 0.005 0.000 0.331 337 H C -1.096 174.154 175.328 -0.130 0.000 1.093 337 H CA -0.340 55.665 56.048 -0.072 0.000 1.367 337 H CB 1.571 31.318 29.762 -0.024 0.000 1.455 337 H HN -0.158 nan 8.280 nan 0.000 0.519 338 V N 5.600 125.105 119.914 -0.682 0.000 2.385 338 V HA 0.029 4.152 4.120 0.005 0.000 0.269 338 V C 0.046 175.700 176.094 -0.732 0.000 1.043 338 V CA -0.255 61.638 62.300 -0.679 0.000 0.906 338 V CB 1.079 32.359 31.823 -0.905 0.000 0.995 338 V HN 0.715 nan 8.190 nan 0.000 0.467 339 D N 4.186 124.349 120.400 -0.395 0.000 2.440 339 D HA 0.350 4.993 4.640 0.005 0.000 0.252 339 D C 0.476 176.804 176.300 0.046 0.000 1.180 339 D CA -0.574 53.319 54.000 -0.179 0.000 0.894 339 D CB 1.007 41.808 40.800 0.001 0.000 1.111 339 D HN 0.227 nan 8.370 nan 0.000 0.544 340 F N 1.347 121.348 119.950 0.085 0.000 2.408 340 F HA -0.036 4.494 4.527 0.004 0.000 0.300 340 F C 2.215 178.052 175.800 0.062 0.000 1.090 340 F CA 0.447 58.496 58.000 0.081 0.000 1.427 340 F CB -0.535 38.536 39.000 0.118 0.000 1.070 340 F HN 0.287 nan 8.300 nan 0.000 0.549 341 S N -0.893 114.936 115.700 0.215 0.000 2.577 341 S HA 0.062 4.535 4.470 0.005 0.000 0.219 341 S C 0.858 175.523 174.600 0.109 0.000 0.962 341 S CA -0.526 57.758 58.200 0.141 0.000 0.921 341 S CB -0.318 62.947 63.200 0.108 0.000 0.789 341 S HN 0.182 nan 8.310 nan 0.000 0.497 342 R N 1.647 122.213 120.500 0.110 0.000 2.494 342 R HA -0.071 4.273 4.340 0.005 0.000 0.291 342 R C 0.966 177.309 176.300 0.072 0.000 0.953 342 R CA 0.390 56.539 56.100 0.082 0.000 1.098 342 R CB 0.265 30.607 30.300 0.071 0.000 0.911 342 R HN 0.202 nan 8.270 nan 0.000 0.407 343 Q N 2.768 122.603 119.800 0.057 0.000 2.046 343 Q HA -0.114 4.230 4.340 0.005 0.000 0.200 343 Q C -0.152 175.874 176.000 0.043 0.000 0.975 343 Q CA 1.731 57.563 55.803 0.048 0.000 0.836 343 Q CB 0.262 29.023 28.738 0.038 0.000 0.896 343 Q HN 0.382 nan 8.270 nan 0.000 0.428 344 K N -0.096 120.327 120.400 0.038 0.000 2.530 344 K HA 0.315 4.638 4.320 0.005 0.000 0.230 344 K C -1.497 175.124 176.600 0.034 0.000 1.002 344 K CA -0.142 56.163 56.287 0.030 0.000 1.014 344 K CB 1.815 34.326 32.500 0.019 0.000 1.286 344 K HN -0.192 nan 8.250 nan 0.000 0.480 345 V N 2.106 122.050 119.914 0.050 0.000 2.352 345 V HA 0.128 4.251 4.120 0.005 0.000 0.253 345 V C 0.125 176.256 176.094 0.062 0.000 1.083 345 V CA -0.337 62.007 62.300 0.072 0.000 0.993 345 V CB 0.461 32.351 31.823 0.112 0.000 1.111 345 V HN 0.656 nan 8.190 nan 0.000 0.490 346 S N 5.133 120.851 115.700 0.030 0.000 2.462 346 S HA 0.727 5.201 4.470 0.005 0.000 0.294 346 S C -0.551 174.066 174.600 0.029 0.000 1.144 346 S CA -0.458 57.729 58.200 -0.022 0.000 1.088 346 S CB 0.435 63.617 63.200 -0.030 0.000 1.009 346 S HN 1.076 nan 8.310 nan 0.000 0.484 347 H N 0.051 119.096 119.070 -0.041 0.000 2.932 347 H HA 0.554 5.113 4.556 0.006 0.000 0.307 347 H C -0.523 174.776 175.328 -0.049 0.000 1.391 347 H CA -0.364 55.641 56.048 -0.072 0.000 1.130 347 H CB 0.827 30.527 29.762 -0.103 0.000 1.836 347 H HN 0.352 nan 8.280 nan 0.000 0.522 348 T N -2.500 112.134 114.554 0.133 0.000 3.487 348 T HA 0.179 4.533 4.350 0.005 0.000 0.287 348 T C 0.410 175.171 174.700 0.101 0.000 1.004 348 T CA 0.097 62.254 62.100 0.096 0.000 0.977 348 T CB -0.385 68.490 68.868 0.011 0.000 1.180 348 T HN 0.612 nan 8.240 nan 0.000 0.490 349 T N 1.308 115.997 114.554 0.225 0.000 2.788 349 T HA 0.053 4.407 4.350 0.005 0.000 0.268 349 T C 0.414 174.923 174.700 -0.318 0.000 1.044 349 T CA 1.218 63.161 62.100 -0.261 0.000 1.139 349 T CB -0.371 68.062 68.868 -0.724 0.000 0.867 349 T HN 0.486 nan 8.240 nan 0.000 0.454 350 F N 1.266 121.222 119.950 0.010 0.000 2.660 350 F HA 0.480 5.010 4.527 0.005 0.000 0.297 350 F C 1.521 177.285 175.800 -0.061 0.000 1.132 350 F CA -0.265 57.706 58.000 -0.047 0.000 1.372 350 F CB -0.442 38.533 39.000 -0.041 0.000 1.003 350 F HN 0.279 nan 8.300 nan 0.000 0.524 351 G N -0.066 108.761 108.800 0.044 0.000 2.549 351 G HA2 0.007 3.970 3.960 0.005 0.000 0.404 351 G HA3 0.007 3.970 3.960 0.005 0.000 0.404 351 G C -1.598 173.304 174.900 0.004 0.000 1.292 351 G CA -0.795 44.253 45.100 -0.087 0.000 0.935 351 G HN 0.513 nan 8.290 nan 0.000 0.512 352 H N -1.172 117.768 119.070 -0.218 0.000 3.094 352 H HA 0.672 5.231 4.556 0.005 0.000 0.335 352 H C 0.551 175.884 175.328 0.009 0.000 1.254 352 H CA 1.891 57.900 56.048 -0.065 0.000 1.240 352 H CB 1.264 31.031 29.762 0.008 0.000 1.936 352 H HN 2.669 nan 8.280 nan 0.000 0.536 353 G N 1.220 109.743 108.800 -0.461 0.000 2.527 353 G HA2 -0.251 3.712 3.960 0.005 0.000 0.227 353 G HA3 -0.251 3.712 3.960 0.005 0.000 0.227 353 G C 1.009 175.870 174.900 -0.065 0.000 1.291 353 G CA 0.548 45.560 45.100 -0.146 0.000 0.904 353 G HN 1.453 nan 8.290 nan 0.000 0.577 354 S N -0.840 114.856 115.700 -0.007 0.000 2.561 354 S HA 0.093 4.567 4.470 0.005 0.000 0.225 354 S C 1.157 175.625 174.600 -0.218 0.000 0.977 354 S CA 1.444 59.566 58.200 -0.130 0.000 0.926 354 S CB -0.174 62.880 63.200 -0.243 0.000 0.769 354 S HN 0.723 nan 8.310 nan 0.000 0.533 355 H N 0.785 119.834 119.070 -0.035 0.000 2.487 355 H HA 0.388 4.947 4.556 0.005 0.000 0.290 355 H C 0.036 175.338 175.328 -0.042 0.000 1.081 355 H CA -0.423 55.611 56.048 -0.024 0.000 1.116 355 H CB 0.038 29.797 29.762 -0.006 0.000 1.560 355 H HN 0.358 nan 8.280 nan 0.000 0.548 356 L N 1.221 122.451 121.223 0.012 0.000 2.593 356 L HA -0.121 4.222 4.340 0.005 0.000 0.287 356 L C 0.920 177.787 176.870 -0.005 0.000 1.243 356 L CA 0.073 54.910 54.840 -0.005 0.000 0.890 356 L CB 0.389 42.426 42.059 -0.037 0.000 1.134 356 L HN 0.358 nan 8.230 nan 0.000 0.502 357 C N 4.872 124.174 119.300 0.003 0.000 2.523 357 C HA -0.008 4.455 4.460 0.005 0.000 0.406 357 C C 1.694 176.605 174.990 -0.131 0.000 1.449 357 C CA -0.266 58.735 59.018 -0.029 0.000 1.588 357 C CB -0.839 26.900 27.740 -0.002 0.000 2.514 357 C HN 0.755 nan 8.230 nan 0.000 0.606 358 L N 4.900 126.080 121.223 -0.072 0.000 2.509 358 L HA 0.206 4.549 4.340 0.005 0.000 0.222 358 L C 2.311 179.116 176.870 -0.108 0.000 1.123 358 L CA 1.084 55.880 54.840 -0.074 0.000 0.856 358 L CB -0.185 41.871 42.059 -0.005 0.000 0.985 358 L HN 0.955 nan 8.230 nan 0.000 0.456 359 G N -0.750 107.975 108.800 -0.125 0.000 3.284 359 G HA2 -0.033 3.930 3.960 0.005 0.000 0.236 359 G HA3 -0.033 3.930 3.960 0.005 0.000 0.236 359 G C 1.294 176.037 174.900 -0.261 0.000 1.158 359 G CA -0.093 44.941 45.100 -0.110 0.000 0.774 359 G HN 0.486 nan 8.290 nan 0.000 0.545 360 Q N -0.215 119.237 119.800 -0.580 0.000 2.170 360 Q HA -0.164 4.180 4.340 0.005 0.000 0.203 360 Q C 1.703 177.275 176.000 -0.713 0.000 0.976 360 Q CA 1.167 56.331 55.803 -1.065 0.000 0.858 360 Q CB -0.490 27.175 28.738 -1.788 0.000 0.907 360 Q HN 0.466 nan 8.270 nan 0.000 0.433 361 H N 0.480 119.404 119.070 -0.243 0.000 2.395 361 H HA -0.043 4.517 4.556 0.005 0.000 0.299 361 H C 2.173 177.468 175.328 -0.055 0.000 1.070 361 H CA 1.259 57.233 56.048 -0.123 0.000 1.356 361 H CB -0.148 29.562 29.762 -0.086 0.000 1.401 361 H HN 0.255 nan 8.280 nan 0.000 0.524 362 L N 1.231 122.479 121.223 0.042 0.000 2.046 362 L HA -0.060 4.283 4.340 0.005 0.000 0.208 362 L C 2.540 179.440 176.870 0.051 0.000 1.077 362 L CA 1.779 56.646 54.840 0.045 0.000 0.747 362 L CB -0.811 41.270 42.059 0.036 0.000 0.896 362 L HN 0.173 nan 8.230 nan 0.000 0.432 363 A N -0.379 122.454 122.820 0.021 0.000 1.877 363 A HA -0.207 4.117 4.320 0.005 0.000 0.216 363 A C 2.424 180.096 177.584 0.145 0.000 1.186 363 A CA 1.779 53.877 52.037 0.101 0.000 0.620 363 A CB -0.571 18.529 19.000 0.165 0.000 0.822 363 A HN 0.492 nan 8.150 nan 0.000 0.443 364 R N -1.223 119.341 120.500 0.106 0.000 2.096 364 R HA -0.139 4.205 4.340 0.005 0.000 0.235 364 R C 2.430 178.820 176.300 0.149 0.000 1.127 364 R CA 1.501 57.685 56.100 0.140 0.000 0.968 364 R CB -0.282 30.084 30.300 0.109 0.000 0.861 364 R HN 0.435 nan 8.270 nan 0.000 0.440 365 R N 1.680 122.261 120.500 0.135 0.000 2.091 365 R HA -0.139 4.204 4.340 0.005 0.000 0.238 365 R C 1.678 178.109 176.300 0.218 0.000 1.136 365 R CA 1.811 58.001 56.100 0.150 0.000 0.959 365 R CB -0.258 30.116 30.300 0.122 0.000 0.856 365 R HN 0.301 nan 8.270 nan 0.000 0.437 366 E N -0.333 120.014 120.200 0.244 0.000 2.077 366 E HA -0.167 4.186 4.350 0.005 0.000 0.193 366 E C 2.068 178.940 176.600 0.453 0.000 0.989 366 E CA 1.617 58.266 56.400 0.415 0.000 0.800 366 E CB -0.206 29.659 29.700 0.275 0.000 0.746 366 E HN 0.363 nan 8.360 nan 0.000 0.452 367 I N 0.937 121.709 120.570 0.336 0.000 2.179 367 I HA -0.285 3.889 4.170 0.005 0.000 0.242 367 I C 2.402 178.656 176.117 0.228 0.000 1.088 367 I CA 1.143 62.634 61.300 0.319 0.000 1.357 367 I CB -0.217 37.979 38.000 0.328 0.000 1.051 367 I HN 0.090 nan 8.210 nan 0.000 0.409 368 I N -0.094 120.589 120.570 0.189 0.000 2.226 368 I HA -0.246 3.927 4.170 0.005 0.000 0.245 368 I C 2.522 178.712 176.117 0.121 0.000 1.100 368 I CA 1.104 62.481 61.300 0.130 0.000 1.374 368 I CB -0.263 37.804 38.000 0.111 0.000 1.057 368 I HN 0.017 nan 8.210 nan 0.000 0.413 369 V N 0.502 120.510 119.914 0.155 0.000 2.332 369 V HA -0.315 3.808 4.120 0.005 0.000 0.248 369 V C 2.494 178.635 176.094 0.078 0.000 1.055 369 V CA 2.522 64.901 62.300 0.132 0.000 1.038 369 V CB -0.938 31.008 31.823 0.205 0.000 0.651 369 V HN 0.476 nan 8.190 nan 0.000 0.450 370 T N 0.386 114.997 114.554 0.095 0.000 2.708 370 T HA -0.127 4.227 4.350 0.005 0.000 0.266 370 T C 1.869 176.585 174.700 0.026 0.000 1.037 370 T CA 1.610 63.720 62.100 0.016 0.000 1.146 370 T CB -0.290 68.645 68.868 0.111 0.000 0.865 370 T HN 0.302 nan 8.240 nan 0.000 0.435 371 L N 0.590 121.845 121.223 0.053 0.000 2.017 371 L HA -0.113 4.230 4.340 0.005 0.000 0.208 371 L C 2.674 179.587 176.870 0.071 0.000 1.073 371 L CA 1.284 56.152 54.840 0.047 0.000 0.745 371 L CB -0.531 41.553 42.059 0.041 0.000 0.894 371 L HN 0.170 nan 8.230 nan 0.000 0.432 372 K N 0.418 120.852 120.400 0.057 0.000 2.026 372 K HA -0.173 4.150 4.320 0.005 0.000 0.208 372 K C 1.991 178.612 176.600 0.036 0.000 1.048 372 K CA 1.470 57.785 56.287 0.046 0.000 0.929 372 K CB -0.087 32.438 32.500 0.042 0.000 0.713 372 K HN 0.164 nan 8.250 nan 0.000 0.439 373 E N -0.596 119.619 120.200 0.025 0.000 2.216 373 E HA -0.153 4.200 4.350 0.005 0.000 0.192 373 E C 1.796 178.363 176.600 -0.054 0.000 0.988 373 E CA 0.526 56.916 56.400 -0.016 0.000 0.834 373 E CB -0.382 29.304 29.700 -0.023 0.000 0.772 373 E HN 0.475 nan 8.360 nan 0.000 0.479 374 W N 1.505 122.679 121.300 -0.210 0.000 2.379 374 W HA -0.085 4.579 4.660 0.006 0.000 0.307 374 W C 1.774 178.163 176.519 -0.216 0.000 1.200 374 W CA 0.913 58.079 57.345 -0.299 0.000 1.297 374 W CB -0.309 28.907 29.460 -0.407 0.000 1.140 374 W HN 0.018 nan 8.180 nan 0.000 0.507 375 L N 0.341 121.668 121.223 0.173 0.000 2.201 375 L HA -0.193 4.150 4.340 0.005 0.000 0.212 375 L C 2.384 179.265 176.870 0.017 0.000 1.105 375 L CA 1.494 56.424 54.840 0.149 0.000 0.775 375 L CB -1.128 41.031 42.059 0.166 0.000 0.913 375 L HN -0.164 nan 8.230 nan 0.000 0.440 376 T N -0.622 113.916 114.554 -0.027 0.000 2.788 376 T HA -0.154 4.199 4.350 0.005 0.000 0.268 376 T C 2.073 176.708 174.700 -0.108 0.000 1.044 376 T CA 1.373 63.441 62.100 -0.052 0.000 1.139 376 T CB -0.038 68.802 68.868 -0.047 0.000 0.867 376 T HN 0.325 nan 8.240 nan 0.000 0.454 377 R N -0.247 120.128 120.500 -0.207 0.000 2.146 377 R HA 0.345 4.689 4.340 0.005 0.000 0.206 377 R C 0.529 176.605 176.300 -0.373 0.000 1.049 377 R CA 0.556 56.488 56.100 -0.280 0.000 1.029 377 R CB 0.461 30.544 30.300 -0.363 0.000 0.949 377 R HN 0.290 nan 8.270 nan 0.000 0.471 378 I N 2.447 122.698 120.570 -0.531 0.000 2.833 378 I HA 0.187 4.360 4.170 0.005 0.000 0.286 378 I C -1.930 174.109 176.117 -0.129 0.000 1.287 378 I CA -1.642 59.300 61.300 -0.596 0.000 1.046 378 I CB 1.837 39.002 38.000 -1.392 0.000 1.612 378 I HN -0.103 nan 8.210 nan 0.000 0.585 379 P HA -0.116 nan 4.420 nan 0.000 0.218 379 P C 0.207 177.618 177.300 0.186 0.000 1.149 379 P CA 1.309 64.481 63.100 0.120 0.000 0.817 379 P CB 0.264 31.992 31.700 0.046 0.000 0.785 380 D N -0.651 119.854 120.400 0.176 0.000 2.408 380 D HA 0.472 5.116 4.640 0.005 0.000 0.243 380 D C -0.936 175.548 176.300 0.307 0.000 1.075 380 D CA -0.719 53.355 54.000 0.123 0.000 0.832 380 D CB 0.804 41.654 40.800 0.083 0.000 1.162 380 D HN -0.102 nan 8.370 nan 0.000 0.515 381 F N 0.424 120.445 119.950 0.119 0.000 2.713 381 F HA 0.793 5.322 4.527 0.004 0.000 0.311 381 F C -1.110 174.764 175.800 0.124 0.000 1.141 381 F CA -0.947 57.181 58.000 0.214 0.000 0.939 381 F CB 1.150 40.315 39.000 0.274 0.000 1.325 381 F HN 0.142 nan 8.300 nan 0.000 0.453 382 S N 1.053 116.920 115.700 0.277 0.000 2.651 382 S HA 0.643 5.116 4.470 0.005 0.000 0.279 382 S C -1.141 173.557 174.600 0.164 0.000 1.148 382 S CA -0.799 57.463 58.200 0.104 0.000 0.837 382 S CB 1.849 65.086 63.200 0.062 0.000 1.138 382 S HN 0.600 nan 8.310 nan 0.000 0.478 383 I N 2.140 122.755 120.570 0.074 0.000 2.648 383 I HA 0.196 4.369 4.170 0.005 0.000 0.284 383 I C 1.068 177.226 176.117 0.069 0.000 1.153 383 I CA -0.248 61.094 61.300 0.070 0.000 1.426 383 I CB 0.047 38.064 38.000 0.028 0.000 1.381 383 I HN 0.821 nan 8.210 nan 0.000 0.571 384 A N 9.384 132.246 122.820 0.070 0.000 2.531 384 A HA 0.254 4.577 4.320 0.005 0.000 0.236 384 A C -2.000 175.602 177.584 0.031 0.000 1.062 384 A CA -0.756 51.310 52.037 0.048 0.000 0.760 384 A CB -0.875 18.150 19.000 0.040 0.000 0.995 384 A HN 0.530 nan 8.150 nan 0.000 0.501 385 P HA 0.183 nan 4.420 nan 0.000 0.264 385 P C 0.997 178.304 177.300 0.012 0.000 1.193 385 P CA 1.528 64.636 63.100 0.014 0.000 0.763 385 P CB 0.578 32.284 31.700 0.009 0.000 0.810 386 G N 1.971 110.777 108.800 0.011 0.000 2.234 386 G HA2 -0.226 3.738 3.960 0.005 0.000 0.260 386 G HA3 -0.226 3.738 3.960 0.005 0.000 0.260 386 G C 0.428 175.335 174.900 0.012 0.000 0.987 386 G CA 0.147 45.252 45.100 0.009 0.000 0.625 386 G HN 0.895 nan 8.290 nan 0.000 0.532 387 A N 0.115 122.944 122.820 0.016 0.000 2.425 387 A HA 0.642 4.965 4.320 0.005 0.000 0.249 387 A C 0.357 177.950 177.584 0.015 0.000 1.084 387 A CA 0.302 52.351 52.037 0.019 0.000 0.781 387 A CB 0.412 19.429 19.000 0.027 0.000 1.019 387 A HN 0.325 nan 8.150 nan 0.000 0.490 388 Q N 2.098 121.906 119.800 0.014 0.000 2.357 388 Q HA 0.296 4.639 4.340 0.005 0.000 0.266 388 Q C -0.695 175.309 176.000 0.007 0.000 1.021 388 Q CA -0.549 55.258 55.803 0.006 0.000 0.784 388 Q CB 1.481 30.221 28.738 0.003 0.000 1.243 388 Q HN 0.629 nan 8.270 nan 0.000 0.465 389 I N 2.483 123.054 120.570 0.002 0.000 2.533 389 I HA 0.034 4.207 4.170 0.005 0.000 0.284 389 I C 0.629 176.731 176.117 -0.026 0.000 1.109 389 I CA 0.366 61.674 61.300 0.013 0.000 1.412 389 I CB 0.048 38.070 38.000 0.035 0.000 1.396 389 I HN 0.382 nan 8.210 nan 0.000 0.543 390 Q N 5.980 125.801 119.800 0.035 0.000 2.316 390 Q HA 0.438 4.781 4.340 0.005 0.000 0.264 390 Q C -0.752 175.362 176.000 0.191 0.000 0.987 390 Q CA -0.556 55.274 55.803 0.045 0.000 0.852 390 Q CB 2.160 30.932 28.738 0.057 0.000 1.287 390 Q HN 0.594 nan 8.270 nan 0.000 0.448 391 H N 0.731 119.868 119.070 0.111 0.000 2.559 391 H HA 0.495 5.054 4.556 0.005 0.000 0.343 391 H C -0.474 174.939 175.328 0.140 0.000 1.209 391 H CA -1.061 55.077 56.048 0.151 0.000 1.287 391 H CB 1.511 31.436 29.762 0.271 0.000 1.650 391 H HN 0.447 nan 8.280 nan 0.000 0.567 392 K N 0.131 120.705 120.400 0.291 0.000 2.469 392 K HA 0.580 4.903 4.320 0.005 0.000 0.254 392 K C -1.206 175.543 176.600 0.247 0.000 0.939 392 K CA -0.926 55.489 56.287 0.214 0.000 0.812 392 K CB 2.586 35.172 32.500 0.144 0.000 1.301 392 K HN 0.349 nan 8.250 nan 0.000 0.433 393 S N 0.038 115.886 115.700 0.246 0.000 2.607 393 S HA 0.920 5.393 4.470 0.005 0.000 0.303 393 S C -0.529 174.209 174.600 0.230 0.000 1.086 393 S CA 0.191 58.566 58.200 0.291 0.000 0.995 393 S CB 1.523 64.935 63.200 0.353 0.000 1.084 393 S HN 1.000 nan 8.310 nan 0.000 0.507 394 G N 1.997 110.892 108.800 0.158 0.000 2.392 394 G HA2 0.212 4.175 3.960 0.005 0.000 0.260 394 G HA3 0.212 4.175 3.960 0.005 0.000 0.260 394 G C 0.149 174.979 174.900 -0.116 0.000 1.226 394 G CA -0.398 44.699 45.100 -0.007 0.000 0.913 394 G HN 0.533 nan 8.290 nan 0.000 0.483 395 I N -0.003 120.482 120.570 -0.141 0.000 2.264 395 I HA 0.013 4.187 4.170 0.005 0.000 0.248 395 I C 0.920 176.940 176.117 -0.162 0.000 1.111 395 I CA 1.508 62.651 61.300 -0.262 0.000 1.382 395 I CB -0.765 36.972 38.000 -0.438 0.000 1.060 395 I HN 0.048 nan 8.210 nan 0.000 0.418 396 V N 0.544 120.426 119.914 -0.054 0.000 2.483 396 V HA 0.286 4.409 4.120 0.005 0.000 0.297 396 V C 0.199 176.318 176.094 0.043 0.000 1.027 396 V CA -0.571 61.718 62.300 -0.019 0.000 0.855 396 V CB 1.919 33.757 31.823 0.024 0.000 0.995 396 V HN 0.082 nan 8.190 nan 0.000 0.424 397 S N 2.294 118.033 115.700 0.064 0.000 2.632 397 S HA 0.866 5.339 4.470 0.005 0.000 0.267 397 S C 0.448 175.199 174.600 0.252 0.000 1.276 397 S CA 0.255 58.562 58.200 0.178 0.000 0.998 397 S CB 1.618 64.927 63.200 0.181 0.000 0.953 397 S HN 1.173 nan 8.310 nan 0.000 0.547 398 G N -0.478 108.432 108.800 0.183 0.000 2.619 398 G HA2 0.553 4.516 3.960 0.005 0.000 0.305 398 G HA3 0.553 4.516 3.960 0.005 0.000 0.305 398 G C -1.919 172.781 174.900 -0.334 0.000 1.330 398 G CA -0.474 44.519 45.100 -0.179 0.000 0.789 398 G HN 0.631 nan 8.290 nan 0.000 0.487 399 V N 1.182 120.841 119.914 -0.425 0.000 2.448 399 V HA 0.321 4.444 4.120 0.005 0.000 0.295 399 V C 0.822 176.878 176.094 -0.063 0.000 1.025 399 V CA -0.553 61.602 62.300 -0.241 0.000 0.859 399 V CB 1.591 33.181 31.823 -0.388 0.000 0.988 399 V HN 0.760 nan 8.190 nan 0.000 0.431 400 Q N 2.575 122.397 119.800 0.038 0.000 2.079 400 Q HA 0.107 4.450 4.340 0.005 0.000 0.200 400 Q C 0.625 176.646 176.000 0.034 0.000 0.974 400 Q CA 1.427 57.254 55.803 0.041 0.000 0.840 400 Q CB 0.430 29.208 28.738 0.066 0.000 0.898 400 Q HN 0.916 nan 8.270 nan 0.000 0.430 401 A N -0.131 122.715 122.820 0.044 0.000 2.594 401 A HA 0.531 4.855 4.320 0.005 0.000 0.296 401 A C -1.884 175.738 177.584 0.062 0.000 1.061 401 A CA -0.605 51.463 52.037 0.051 0.000 0.689 401 A CB 1.242 20.272 19.000 0.050 0.000 1.280 401 A HN 0.091 nan 8.150 nan 0.000 0.406 402 L N 2.861 124.136 121.223 0.088 0.000 2.514 402 L HA 0.519 4.862 4.340 0.005 0.000 0.257 402 L C -2.679 174.266 176.870 0.125 0.000 1.101 402 L CA -1.421 53.472 54.840 0.090 0.000 0.911 402 L CB 1.837 43.941 42.059 0.075 0.000 1.162 402 L HN 0.437 nan 8.230 nan 0.000 0.477 403 P HA 0.272 nan 4.420 nan 0.000 0.282 403 P C -0.971 176.410 177.300 0.134 0.000 1.274 403 P CA 0.047 63.215 63.100 0.112 0.000 0.770 403 P CB 0.992 32.735 31.700 0.072 0.000 0.867 404 L N 3.897 125.244 121.223 0.206 0.000 2.333 404 L HA 0.722 5.066 4.340 0.005 0.000 0.269 404 L C 0.485 177.520 176.870 0.275 0.000 1.010 404 L CA -1.245 53.775 54.840 0.301 0.000 0.818 404 L CB 2.178 44.508 42.059 0.452 0.000 1.306 404 L HN 0.205 nan 8.230 nan 0.000 0.430 405 V N -1.277 118.821 119.914 0.308 0.000 2.962 405 V HA 0.808 4.931 4.120 0.005 0.000 0.313 405 V C -1.593 174.740 176.094 0.398 0.000 1.099 405 V CA -0.606 61.765 62.300 0.119 0.000 0.971 405 V CB 1.763 33.599 31.823 0.021 0.000 1.028 405 V HN 0.972 nan 8.190 nan 0.000 0.430 406 W N 0.665 122.039 121.300 0.122 0.000 3.153 406 W HA 0.728 5.388 4.660 0.000 0.000 0.316 406 W C -1.636 174.922 176.519 0.065 0.000 1.255 406 W CA -0.690 56.725 57.345 0.118 0.000 1.192 406 W CB 0.936 30.492 29.460 0.161 0.000 1.400 406 W HN 0.675 nan 8.180 nan 0.000 0.568 407 D N 2.261 122.828 120.400 0.279 0.000 2.316 407 D HA 0.318 4.962 4.640 0.005 0.000 0.245 407 D C -1.386 175.060 176.300 0.242 0.000 1.171 407 D CA -2.424 51.665 54.000 0.149 0.000 0.856 407 D CB 1.873 42.744 40.800 0.117 0.000 1.090 407 D HN 0.079 nan 8.370 nan 0.000 0.476 408 P HA -0.108 nan 4.420 nan 0.000 0.220 408 P C 0.832 178.212 177.300 0.132 0.000 1.144 408 P CA 1.029 64.249 63.100 0.200 0.000 0.800 408 P CB 0.181 31.938 31.700 0.094 0.000 0.772 409 A N -0.529 122.346 122.820 0.092 0.000 2.121 409 A HA -0.101 4.223 4.320 0.005 0.000 0.218 409 A C 1.955 179.577 177.584 0.063 0.000 1.154 409 A CA 1.885 53.959 52.037 0.062 0.000 0.679 409 A CB -1.546 17.481 19.000 0.045 0.000 0.795 409 A HN 0.349 nan 8.150 nan 0.000 0.458 410 T N -2.503 112.105 114.554 0.089 0.000 3.086 410 T HA 0.191 4.544 4.350 0.005 0.000 0.250 410 T C 0.780 175.508 174.700 0.046 0.000 1.074 410 T CA 0.615 62.757 62.100 0.070 0.000 0.988 410 T CB -0.755 68.166 68.868 0.089 0.000 0.988 410 T HN 0.494 nan 8.240 nan 0.000 0.530 411 T N -0.080 114.502 114.554 0.046 0.000 2.923 411 T HA 0.672 5.025 4.350 0.005 0.000 0.281 411 T C -0.773 173.909 174.700 -0.030 0.000 0.995 411 T CA -0.984 61.103 62.100 -0.022 0.000 0.985 411 T CB 1.738 70.591 68.868 -0.023 0.000 1.114 411 T HN 0.587 nan 8.240 nan 0.000 0.548 412 K N -0.421 119.938 120.400 -0.069 0.000 2.525 412 K HA 0.709 5.033 4.320 0.005 0.000 0.254 412 K C -1.119 175.441 176.600 -0.068 0.000 0.934 412 K CA -1.136 55.121 56.287 -0.051 0.000 0.802 412 K CB 1.836 34.313 32.500 -0.038 0.000 1.295 412 K HN 0.773 nan 8.250 nan 0.000 0.433 413 A N 3.013 125.806 122.820 -0.046 0.000 2.366 413 A HA 0.456 4.780 4.320 0.005 0.000 0.272 413 A C 0.172 177.733 177.584 -0.039 0.000 1.135 413 A CA -0.636 51.374 52.037 -0.045 0.000 0.804 413 A CB 0.549 19.533 19.000 -0.027 0.000 1.064 413 A HN 0.511 nan 8.150 nan 0.000 0.499 414 V N 0.000 119.889 119.914 -0.042 0.000 2.409 414 V HA 0.000 4.123 4.120 0.005 0.000 0.244 414 V CA 0.000 62.282 62.300 -0.031 0.000 1.235 414 V CB 0.000 31.804 31.823 -0.032 0.000 1.184 414 V HN 0.000 nan 8.190 nan 0.000 0.556