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 3oyi_1_A DATA FIRST_RESID 8 DATA SEQUENCE LDAELDQLLQ GHYIKGYPKQ YTYFLEDGKV KVSRPEGVKI IPPQSDRQKI DATA SEQUENCE VLQAHNLAHT GREATLLKIA NLYWWPNMRK DVVKQLGRCQ QCLITNASNK DATA SEQUENCE ASGPILRPDR PQKPFDKFFI DYIGPLPPSQ GYLYVLVVVD GMTGFTWLYP DATA SEQUENCE TKAPSTSATV KSLNVLTSIA IPKVIHSDQG AAFTSSTFAE WAKERGIHLE DATA SEQUENCE FSTPYHPQSQ GKVERKNSDI KRLLTKLLVG RPTKWYDLLP VVQLALNNTY DATA SEQUENCE SPVLKYTPHQ LLFGIDSNTP FANQDTLDLT REEELSLLQE IRTSLYHPST DATA SEQUENCE PPASSRSWSP VVGQLVQERV ARPASLRPRW HKPSTVLKVL NPRTVVILDH DATA SEQUENCE LGNNRTVSID NLKPTSHQ 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 8 L HA 0.000 nan 4.340 nan 0.000 0.249 8 L C 0.000 176.829 176.870 -0.069 0.000 1.165 8 L CA 0.000 54.795 54.840 -0.075 0.000 0.813 8 L CB 0.000 42.022 42.059 -0.062 0.000 0.961 9 D N -0.031 120.335 120.400 -0.056 0.000 2.311 9 D HA 0.117 4.758 4.640 0.001 0.000 0.212 9 D C 2.074 178.337 176.300 -0.062 0.000 0.972 9 D CA 1.876 55.844 54.000 -0.053 0.000 0.887 9 D CB 0.018 40.796 40.800 -0.038 0.000 0.915 9 D HN 1.075 nan 8.370 nan 0.000 0.497 10 A N 1.203 123.986 122.820 -0.062 0.000 1.862 10 A HA -0.320 4.000 4.320 0.001 0.000 0.217 10 A C 2.054 179.587 177.584 -0.086 0.000 1.251 10 A CA 1.993 53.991 52.037 -0.064 0.000 0.673 10 A CB -0.836 18.129 19.000 -0.059 0.000 0.843 10 A HN 0.261 nan 8.150 nan 0.000 0.458 11 E N -0.867 119.271 120.200 -0.104 0.000 2.153 11 E HA -0.146 4.204 4.350 0.001 0.000 0.194 11 E C 1.885 178.346 176.600 -0.232 0.000 0.988 11 E CA 1.119 57.424 56.400 -0.157 0.000 0.811 11 E CB -0.263 29.351 29.700 -0.143 0.000 0.746 11 E HN 0.461 nan 8.360 nan 0.000 0.466 12 L N 1.271 122.380 121.223 -0.190 0.000 2.201 12 L HA -0.145 4.195 4.340 0.001 0.000 0.212 12 L C 1.962 178.746 176.870 -0.143 0.000 1.105 12 L CA 1.316 56.036 54.840 -0.199 0.000 0.775 12 L CB -0.386 41.603 42.059 -0.116 0.000 0.913 12 L HN 0.030 nan 8.230 nan 0.000 0.440 13 D N -0.455 119.884 120.400 -0.101 0.000 2.077 13 D HA -0.190 4.450 4.640 0.001 0.000 0.193 13 D C 2.087 178.356 176.300 -0.052 0.000 0.989 13 D CA 1.127 55.092 54.000 -0.058 0.000 0.831 13 D CB 0.135 40.909 40.800 -0.044 0.000 0.979 13 D HN 0.240 nan 8.370 nan 0.000 0.449 14 Q N 0.266 120.026 119.800 -0.067 0.000 2.197 14 Q HA -0.139 4.201 4.340 0.001 0.000 0.207 14 Q C 2.061 178.040 176.000 -0.034 0.000 0.984 14 Q CA 0.572 56.354 55.803 -0.035 0.000 0.869 14 Q CB -0.327 28.380 28.738 -0.053 0.000 0.906 14 Q HN 0.237 nan 8.270 nan 0.000 0.426 15 L N -0.548 120.591 121.223 -0.140 0.000 2.056 15 L HA -0.108 4.232 4.340 0.001 0.000 0.207 15 L C 1.811 178.659 176.870 -0.036 0.000 1.078 15 L CA 1.399 56.119 54.840 -0.201 0.000 0.749 15 L CB -0.287 41.482 42.059 -0.482 0.000 0.901 15 L HN 0.258 nan 8.230 nan 0.000 0.433 16 L N -0.589 120.628 121.223 -0.009 0.000 2.083 16 L HA -0.256 4.085 4.340 0.001 0.000 0.209 16 L C 2.714 179.644 176.870 0.099 0.000 1.083 16 L CA 1.758 56.642 54.840 0.072 0.000 0.752 16 L CB -0.529 41.563 42.059 0.055 0.000 0.899 16 L HN 0.551 nan 8.230 nan 0.000 0.433 17 Q N -0.330 119.521 119.800 0.084 0.000 2.172 17 Q HA -0.082 4.258 4.340 0.001 0.000 0.200 17 Q C 1.419 177.483 176.000 0.107 0.000 0.964 17 Q CA 1.376 57.243 55.803 0.107 0.000 0.855 17 Q CB 0.081 28.900 28.738 0.134 0.000 0.918 17 Q HN 0.407 nan 8.270 nan 0.000 0.444 18 G N 0.091 108.957 108.800 0.109 0.000 2.205 18 G HA2 -0.153 3.808 3.960 0.001 0.000 0.180 18 G HA3 -0.153 3.808 3.960 0.001 0.000 0.180 18 G C -0.348 174.568 174.900 0.026 0.000 1.004 18 G CA -0.126 45.023 45.100 0.082 0.000 0.670 18 G HN 0.473 nan 8.290 nan 0.000 0.496 19 H N -0.492 118.624 119.070 0.077 0.000 2.582 19 H HA 0.344 4.900 4.556 0.001 0.000 0.345 19 H C -0.022 175.368 175.328 0.104 0.000 1.104 19 H CA -0.118 55.984 56.048 0.090 0.000 1.390 19 H CB 1.139 30.934 29.762 0.055 0.000 1.461 19 H HN 0.234 nan 8.280 nan 0.000 0.551 20 Y N 3.015 123.399 120.300 0.140 0.000 2.377 20 Y HA 0.197 4.748 4.550 0.001 0.000 0.330 20 Y C -0.791 175.158 175.900 0.082 0.000 1.108 20 Y CA -0.290 57.874 58.100 0.106 0.000 1.308 20 Y CB 0.030 38.555 38.460 0.108 0.000 1.216 20 Y HN 0.376 nan 8.280 nan 0.000 0.518 21 I N 6.346 126.492 120.570 -0.706 0.000 2.474 21 I HA 0.254 4.424 4.170 0.001 0.000 0.294 21 I C -0.372 175.239 176.117 -0.844 0.000 1.005 21 I CA -0.941 59.977 61.300 -0.638 0.000 1.113 21 I CB 1.673 39.452 38.000 -0.368 0.000 1.289 21 I HN 0.515 nan 8.210 nan 0.000 0.436 22 K N 4.095 124.222 120.400 -0.455 0.000 2.447 22 K HA 0.304 4.625 4.320 0.001 0.000 0.281 22 K C 0.967 177.596 176.600 0.048 0.000 1.031 22 K CA 1.218 57.427 56.287 -0.131 0.000 1.019 22 K CB 0.027 32.556 32.500 0.047 0.000 0.918 22 K HN 0.919 nan 8.250 nan 0.000 0.476 23 G N 3.774 112.650 108.800 0.126 0.000 2.376 23 G HA2 -0.253 3.708 3.960 0.001 0.000 0.208 23 G HA3 -0.253 3.708 3.960 0.001 0.000 0.208 23 G C -0.601 174.382 174.900 0.139 0.000 1.032 23 G CA -0.288 44.863 45.100 0.085 0.000 0.641 23 G HN 0.627 nan 8.290 nan 0.000 0.503 24 Y N 2.780 123.172 120.300 0.155 0.000 2.404 24 Y HA 0.516 5.066 4.550 0.001 0.000 0.344 24 Y C -2.006 174.140 175.900 0.411 0.000 0.970 24 Y CA -2.123 56.156 58.100 0.298 0.000 1.180 24 Y CB 1.200 39.657 38.460 -0.005 0.000 1.138 24 Y HN 0.015 nan 8.280 nan 0.000 0.510 25 P HA 0.064 nan 4.420 nan 0.000 0.267 25 P C 0.618 178.258 177.300 0.567 0.000 1.205 25 P CA 0.105 63.528 63.100 0.539 0.000 0.765 25 P CB 0.839 32.839 31.700 0.501 0.000 0.828 26 K N 3.029 123.699 120.400 0.451 0.000 2.288 26 K HA -0.171 4.149 4.320 0.001 0.000 0.201 26 K C 1.690 178.397 176.600 0.179 0.000 1.048 26 K CA 1.794 58.309 56.287 0.379 0.000 0.956 26 K CB -1.234 31.430 32.500 0.274 0.000 0.746 26 K HN 0.786 nan 8.250 nan 0.000 0.461 27 Q N -1.610 118.213 119.800 0.038 0.000 2.488 27 Q HA 0.025 4.366 4.340 0.001 0.000 0.211 27 Q C -0.059 175.754 176.000 -0.312 0.000 0.967 27 Q CA 0.298 56.002 55.803 -0.166 0.000 0.926 27 Q CB -0.491 28.082 28.738 -0.274 0.000 0.992 27 Q HN 0.654 nan 8.270 nan 0.000 0.506 28 Y N 1.323 121.552 120.300 -0.118 0.000 2.458 28 Y HA 0.361 4.911 4.550 0.001 0.000 0.322 28 Y C 0.282 175.930 175.900 -0.420 0.000 1.259 28 Y CA -0.758 57.155 58.100 -0.311 0.000 1.302 28 Y CB 1.483 39.646 38.460 -0.496 0.000 1.314 28 Y HN -0.037 nan 8.280 nan 0.000 0.509 29 T N -1.003 113.428 114.554 -0.204 0.000 2.772 29 T HA 0.515 4.865 4.350 0.001 0.000 0.288 29 T C -1.342 173.296 174.700 -0.104 0.000 0.994 29 T CA -0.793 61.241 62.100 -0.110 0.000 0.951 29 T CB -0.250 68.645 68.868 0.044 0.000 0.933 29 T HN 0.310 nan 8.240 nan 0.000 0.447 30 Y N 3.796 124.224 120.300 0.212 0.000 2.328 30 Y HA 0.630 5.181 4.550 0.001 0.000 0.337 30 Y C 0.018 176.040 175.900 0.203 0.000 1.008 30 Y CA -1.542 56.633 58.100 0.126 0.000 1.129 30 Y CB 0.701 39.205 38.460 0.073 0.000 1.185 30 Y HN 0.810 nan 8.280 nan 0.000 0.476 31 F N 0.630 120.685 119.950 0.175 0.000 2.706 31 F HA 0.810 5.337 4.527 0.001 0.000 0.328 31 F C -1.892 173.966 175.800 0.097 0.000 1.123 31 F CA -1.734 56.332 58.000 0.111 0.000 0.978 31 F CB 1.242 40.283 39.000 0.068 0.000 1.404 31 F HN 0.297 nan 8.300 nan 0.000 0.497 32 L N 1.124 122.534 121.223 0.312 0.000 2.325 32 L HA 0.676 5.017 4.340 0.001 0.000 0.278 32 L C -1.028 176.005 176.870 0.273 0.000 1.023 32 L CA -0.196 54.753 54.840 0.183 0.000 0.811 32 L CB 1.718 43.852 42.059 0.125 0.000 1.249 32 L HN 0.909 nan 8.230 nan 0.000 0.431 33 E N 3.425 123.729 120.200 0.174 0.000 2.422 33 E HA 0.106 4.456 4.350 0.001 0.000 0.289 33 E C -0.972 175.688 176.600 0.100 0.000 0.985 33 E CA -0.443 56.063 56.400 0.176 0.000 0.812 33 E CB 1.122 30.994 29.700 0.287 0.000 1.226 33 E HN 0.814 nan 8.360 nan 0.000 0.419 34 D N 2.428 122.877 120.400 0.081 0.000 3.067 34 D HA -0.263 4.377 4.640 0.001 0.000 0.216 34 D C 0.715 177.044 176.300 0.048 0.000 1.162 34 D CA 2.005 56.038 54.000 0.057 0.000 0.960 34 D CB -0.788 40.043 40.800 0.051 0.000 1.129 34 D HN 0.974 nan 8.370 nan 0.000 0.408 35 G N -0.536 108.295 108.800 0.051 0.000 2.201 35 G HA2 -0.264 3.696 3.960 0.001 0.000 0.212 35 G HA3 -0.264 3.696 3.960 0.001 0.000 0.212 35 G C 0.191 175.115 174.900 0.039 0.000 0.994 35 G CA 0.470 45.595 45.100 0.041 0.000 0.644 35 G HN 0.384 nan 8.290 nan 0.000 0.508 36 K N 0.076 120.500 120.400 0.041 0.000 2.267 36 K HA 0.707 5.028 4.320 0.001 0.000 0.246 36 K C 0.162 176.771 176.600 0.015 0.000 0.954 36 K CA -0.748 55.561 56.287 0.036 0.000 0.824 36 K CB 2.768 35.298 32.500 0.050 0.000 1.167 36 K HN 0.091 nan 8.250 nan 0.000 0.431 37 V N 3.157 123.080 119.914 0.015 0.000 2.508 37 V HA 0.149 4.270 4.120 0.001 0.000 0.281 37 V C 0.033 176.094 176.094 -0.056 0.000 1.041 37 V CA -0.005 62.288 62.300 -0.012 0.000 1.016 37 V CB 0.186 32.021 31.823 0.021 0.000 0.984 37 V HN 0.599 nan 8.190 nan 0.000 0.478 38 K N 3.388 123.626 120.400 -0.270 0.000 2.346 38 K HA 0.894 5.215 4.320 0.001 0.000 0.238 38 K C -1.332 175.002 176.600 -0.442 0.000 1.039 38 K CA -0.929 55.119 56.287 -0.399 0.000 0.861 38 K CB 2.717 34.837 32.500 -0.633 0.000 1.278 38 K HN 0.380 nan 8.250 nan 0.000 0.460 39 V N -0.069 119.664 119.914 -0.302 0.000 2.969 39 V HA 0.229 4.349 4.120 0.001 0.000 0.304 39 V C -1.429 174.580 176.094 -0.142 0.000 1.192 39 V CA -0.496 61.685 62.300 -0.197 0.000 0.962 39 V CB 2.213 33.991 31.823 -0.075 0.000 1.045 39 V HN 0.781 nan 8.190 nan 0.000 0.428 40 S N 6.614 122.279 115.700 -0.057 0.000 2.473 40 S HA 0.538 5.008 4.470 0.001 0.000 0.312 40 S C -0.076 174.460 174.600 -0.106 0.000 1.087 40 S CA -0.496 57.712 58.200 0.013 0.000 1.077 40 S CB -0.363 62.914 63.200 0.129 0.000 1.065 40 S HN 0.684 nan 8.310 nan 0.000 0.510 41 R N 3.911 124.293 120.500 -0.197 0.000 2.598 41 R HA 0.324 4.664 4.340 0.001 0.000 0.279 41 R C -1.795 174.447 176.300 -0.098 0.000 0.984 41 R CA -2.193 53.725 56.100 -0.304 0.000 0.999 41 R CB 0.724 30.741 30.300 -0.472 0.000 1.114 41 R HN 0.309 nan 8.270 nan 0.000 0.493 42 P HA -0.202 nan 4.420 nan 0.000 0.216 42 P C 0.171 177.465 177.300 -0.009 0.000 1.154 42 P CA 1.448 64.555 63.100 0.011 0.000 0.865 42 P CB 0.324 32.044 31.700 0.033 0.000 0.789 43 E N -1.158 119.026 120.200 -0.027 0.000 2.338 43 E HA 0.233 4.583 4.350 0.001 0.000 0.197 43 E C 1.295 177.886 176.600 -0.016 0.000 1.007 43 E CA 0.846 57.236 56.400 -0.016 0.000 0.849 43 E CB -0.466 29.226 29.700 -0.013 0.000 0.774 43 E HN 0.286 nan 8.360 nan 0.000 0.506 44 G N -1.329 107.457 108.800 -0.024 0.000 2.350 44 G HA2 0.103 4.064 3.960 0.001 0.000 0.282 44 G HA3 0.103 4.064 3.960 0.001 0.000 0.282 44 G C -1.502 173.387 174.900 -0.019 0.000 1.314 44 G CA -0.623 44.469 45.100 -0.012 0.000 0.915 44 G HN -0.020 nan 8.290 nan 0.000 0.499 45 V N 1.756 121.671 119.914 0.002 0.000 2.394 45 V HA 0.672 4.793 4.120 0.001 0.000 0.282 45 V C -0.360 175.726 176.094 -0.014 0.000 1.031 45 V CA -0.602 61.703 62.300 0.008 0.000 0.881 45 V CB 1.379 33.244 31.823 0.071 0.000 0.982 45 V HN 0.635 nan 8.190 nan 0.000 0.451 46 K N 4.407 124.797 120.400 -0.016 0.000 2.371 46 K HA 0.611 4.932 4.320 0.001 0.000 0.251 46 K C -0.872 175.763 176.600 0.059 0.000 0.934 46 K CA -0.804 55.497 56.287 0.023 0.000 0.798 46 K CB 2.920 35.489 32.500 0.114 0.000 1.204 46 K HN 0.453 nan 8.250 nan 0.000 0.427 47 I N 2.734 123.333 120.570 0.048 0.000 2.471 47 I HA 0.134 4.304 4.170 0.001 0.000 0.286 47 I C 0.430 176.770 176.117 0.371 0.000 1.079 47 I CA -0.064 61.323 61.300 0.145 0.000 1.398 47 I CB 0.247 38.307 38.000 0.099 0.000 1.403 47 I HN 0.300 nan 8.210 nan 0.000 0.530 48 I N 9.319 130.078 120.570 0.315 0.000 2.287 48 I HA 0.249 4.419 4.170 0.001 0.000 0.290 48 I C -1.998 174.264 176.117 0.240 0.000 1.069 48 I CA -1.796 59.731 61.300 0.378 0.000 1.237 48 I CB 0.344 38.581 38.000 0.395 0.000 1.418 48 I HN 0.325 nan 8.210 nan 0.000 0.481 49 P HA 0.270 nan 4.420 nan 0.000 0.276 49 P C -2.611 174.618 177.300 -0.119 0.000 1.244 49 P CA -1.859 61.229 63.100 -0.020 0.000 0.801 49 P CB 0.020 31.582 31.700 -0.230 0.000 1.006 50 P HA 0.017 nan 4.420 nan 0.000 0.269 50 P C 1.020 178.175 177.300 -0.242 0.000 1.209 50 P CA 0.156 63.172 63.100 -0.140 0.000 0.776 50 P CB 0.652 32.287 31.700 -0.109 0.000 0.876 51 Q N 2.527 122.193 119.800 -0.223 0.000 2.197 51 Q HA -0.209 4.131 4.340 0.001 0.000 0.207 51 Q C 1.780 177.623 176.000 -0.262 0.000 0.984 51 Q CA 2.352 57.984 55.803 -0.284 0.000 0.869 51 Q CB -0.304 28.320 28.738 -0.189 0.000 0.906 51 Q HN 0.579 nan 8.270 nan 0.000 0.426 52 S N -0.866 114.720 115.700 -0.190 0.000 2.507 52 S HA -0.105 4.365 4.470 0.001 0.000 0.235 52 S C 0.922 175.416 174.600 -0.176 0.000 0.988 52 S CA 1.191 59.297 58.200 -0.156 0.000 0.944 52 S CB 0.153 63.286 63.200 -0.112 0.000 0.762 52 S HN 0.349 nan 8.310 nan 0.000 0.526 53 D N 0.955 121.213 120.400 -0.236 0.000 2.423 53 D HA 0.247 4.888 4.640 0.001 0.000 0.212 53 D C 2.026 178.114 176.300 -0.353 0.000 1.060 53 D CA 0.115 53.966 54.000 -0.248 0.000 0.872 53 D CB -0.032 40.630 40.800 -0.230 0.000 1.012 53 D HN 0.326 nan 8.370 nan 0.000 0.503 54 R N 0.618 120.812 120.500 -0.510 0.000 2.105 54 R HA -0.155 4.185 4.340 0.001 0.000 0.239 54 R C 2.159 178.214 176.300 -0.408 0.000 1.135 54 R CA 1.324 56.971 56.100 -0.756 0.000 0.967 54 R CB -0.058 29.546 30.300 -1.160 0.000 0.861 54 R HN 0.252 nan 8.270 nan 0.000 0.442 55 Q N 1.180 120.819 119.800 -0.268 0.000 2.016 55 Q HA -0.197 4.143 4.340 0.001 0.000 0.200 55 Q C 2.023 177.954 176.000 -0.115 0.000 0.978 55 Q CA 1.551 57.263 55.803 -0.152 0.000 0.833 55 Q CB -0.019 28.645 28.738 -0.123 0.000 0.895 55 Q HN 0.110 nan 8.270 nan 0.000 0.427 56 K N 0.199 120.524 120.400 -0.125 0.000 2.113 56 K HA -0.173 4.148 4.320 0.001 0.000 0.208 56 K C 2.018 178.571 176.600 -0.079 0.000 1.047 56 K CA 1.516 57.750 56.287 -0.089 0.000 0.928 56 K CB -0.157 32.290 32.500 -0.089 0.000 0.716 56 K HN 0.359 nan 8.250 nan 0.000 0.446 57 I N 0.305 120.799 120.570 -0.127 0.000 2.163 57 I HA -0.276 3.894 4.170 0.001 0.000 0.240 57 I C 2.244 178.364 176.117 0.005 0.000 1.081 57 I CA 0.927 62.167 61.300 -0.099 0.000 1.353 57 I CB -0.287 37.555 38.000 -0.264 0.000 1.054 57 I HN -0.055 nan 8.210 nan 0.000 0.407 58 V N 0.821 120.759 119.914 0.039 0.000 2.282 58 V HA -0.307 3.813 4.120 0.001 0.000 0.249 58 V C 2.456 178.574 176.094 0.039 0.000 1.057 58 V CA 1.698 64.042 62.300 0.074 0.000 1.032 58 V CB -0.690 31.177 31.823 0.075 0.000 0.645 58 V HN 0.330 nan 8.190 nan 0.000 0.447 59 L N -0.158 121.070 121.223 0.008 0.000 1.990 59 L HA -0.265 4.075 4.340 0.001 0.000 0.213 59 L C 2.577 179.455 176.870 0.013 0.000 1.072 59 L CA 2.117 56.965 54.840 0.012 0.000 0.755 59 L CB -0.764 41.289 42.059 -0.010 0.000 0.889 59 L HN 0.347 nan 8.230 nan 0.000 0.432 60 Q N -1.420 118.382 119.800 0.003 0.000 2.124 60 Q HA -0.196 4.144 4.340 0.001 0.000 0.202 60 Q C 2.195 178.195 176.000 -0.001 0.000 0.977 60 Q CA 1.628 57.430 55.803 -0.001 0.000 0.850 60 Q CB -0.297 28.448 28.738 0.012 0.000 0.901 60 Q HN 0.693 nan 8.270 nan 0.000 0.429 61 A N 0.339 123.177 122.820 0.029 0.000 1.841 61 A HA -0.260 4.060 4.320 0.001 0.000 0.214 61 A C 1.800 179.385 177.584 0.001 0.000 1.195 61 A CA 1.902 53.958 52.037 0.033 0.000 0.611 61 A CB -1.001 18.038 19.000 0.065 0.000 0.835 61 A HN 0.508 nan 8.150 nan 0.000 0.443 62 H N 0.401 119.424 119.070 -0.078 0.000 2.353 62 H HA -0.124 4.433 4.556 0.001 0.000 0.298 62 H C 1.705 176.885 175.328 -0.246 0.000 1.103 62 H CA 2.114 58.085 56.048 -0.128 0.000 1.293 62 H CB -0.176 29.511 29.762 -0.125 0.000 1.372 62 H HN 0.397 nan 8.280 nan 0.000 0.501 63 N N 0.127 118.613 118.700 -0.356 0.000 2.519 63 N HA -0.090 4.650 4.740 0.001 0.000 0.186 63 N C 1.816 177.126 175.510 -0.333 0.000 1.062 63 N CA 0.785 53.517 53.050 -0.530 0.000 0.910 63 N CB -0.170 38.170 38.487 -0.244 0.000 0.958 63 N HN 0.431 nan 8.380 nan 0.000 0.445 64 L N -0.223 120.880 121.223 -0.202 0.000 1.970 64 L HA -0.131 4.209 4.340 0.001 0.000 0.212 64 L C 1.649 178.473 176.870 -0.077 0.000 1.071 64 L CA 1.682 56.463 54.840 -0.097 0.000 0.751 64 L CB -0.268 41.758 42.059 -0.056 0.000 0.889 64 L HN 0.108 nan 8.230 nan 0.000 0.432 65 A N -3.593 119.165 122.820 -0.104 0.000 2.571 65 A HA 0.167 4.488 4.320 0.001 0.000 0.274 65 A C 0.096 177.663 177.584 -0.027 0.000 1.196 65 A CA -0.374 51.641 52.037 -0.037 0.000 0.957 65 A CB -0.241 18.748 19.000 -0.019 0.000 1.150 65 A HN 0.480 nan 8.150 nan 0.000 0.539 66 H N 1.447 120.327 119.070 -0.316 0.000 2.677 66 H HA -0.142 4.414 4.556 0.001 0.000 0.321 66 H C 0.248 175.372 175.328 -0.339 0.000 1.171 66 H CA 1.229 56.939 56.048 -0.563 0.000 1.139 66 H CB -1.860 27.749 29.762 -0.255 0.000 1.515 66 H HN 0.726 nan 8.280 nan 0.000 0.423 67 T N -2.109 112.325 114.554 -0.200 0.000 2.882 67 T HA 0.528 4.878 4.350 0.001 0.000 0.287 67 T C 1.363 176.196 174.700 0.220 0.000 1.014 67 T CA -0.273 61.858 62.100 0.053 0.000 1.049 67 T CB 2.383 71.267 68.868 0.027 0.000 1.001 67 T HN 0.396 nan 8.240 nan 0.000 0.525 68 G N 0.380 109.268 108.800 0.148 0.000 2.529 68 G HA2 0.186 4.146 3.960 0.001 0.000 0.277 68 G HA3 0.186 4.146 3.960 0.001 0.000 0.277 68 G C 0.864 175.807 174.900 0.073 0.000 1.383 68 G CA -0.562 44.613 45.100 0.124 0.000 1.050 68 G HN 0.879 nan 8.290 nan 0.000 0.526 69 R N -0.576 119.945 120.500 0.034 0.000 2.171 69 R HA -0.134 4.207 4.340 0.001 0.000 0.226 69 R C 2.483 178.779 176.300 -0.007 0.000 1.113 69 R CA 2.100 58.194 56.100 -0.009 0.000 0.887 69 R CB -0.541 29.757 30.300 -0.002 0.000 0.830 69 R HN 0.574 nan 8.270 nan 0.000 0.432 70 E N 0.116 120.316 120.200 0.001 0.000 2.070 70 E HA -0.198 4.153 4.350 0.001 0.000 0.197 70 E C 1.831 178.431 176.600 0.000 0.000 1.004 70 E CA 1.563 57.959 56.400 -0.005 0.000 0.805 70 E CB -0.452 29.249 29.700 0.001 0.000 0.744 70 E HN 0.527 nan 8.360 nan 0.000 0.451 71 A N 0.614 123.443 122.820 0.015 0.000 2.067 71 A HA -0.098 4.222 4.320 0.001 0.000 0.219 71 A C 2.352 179.946 177.584 0.018 0.000 1.158 71 A CA 1.738 53.785 52.037 0.017 0.000 0.661 71 A CB -0.526 18.488 19.000 0.024 0.000 0.801 71 A HN 0.234 nan 8.150 nan 0.000 0.452 72 T N -0.069 114.503 114.554 0.029 0.000 2.770 72 T HA -0.060 4.290 4.350 0.001 0.000 0.258 72 T C 1.870 176.569 174.700 -0.001 0.000 1.039 72 T CA 1.202 63.322 62.100 0.034 0.000 1.143 72 T CB -0.416 68.496 68.868 0.074 0.000 0.866 72 T HN 0.360 nan 8.240 nan 0.000 0.428 73 L N 1.079 122.283 121.223 -0.031 0.000 2.021 73 L HA -0.129 4.211 4.340 0.001 0.000 0.215 73 L C 2.165 179.004 176.870 -0.052 0.000 1.074 73 L CA 1.694 56.491 54.840 -0.071 0.000 0.760 73 L CB -0.539 41.468 42.059 -0.087 0.000 0.889 73 L HN 0.219 nan 8.230 nan 0.000 0.433 74 L N -0.639 120.569 121.223 -0.026 0.000 2.191 74 L HA -0.210 4.130 4.340 0.001 0.000 0.212 74 L C 2.638 179.506 176.870 -0.003 0.000 1.103 74 L CA 1.068 55.899 54.840 -0.015 0.000 0.769 74 L CB -0.639 41.416 42.059 -0.007 0.000 0.908 74 L HN 0.231 nan 8.230 nan 0.000 0.438 75 K N 0.128 120.532 120.400 0.006 0.000 2.025 75 K HA -0.055 4.265 4.320 0.001 0.000 0.207 75 K C 2.080 178.711 176.600 0.050 0.000 1.049 75 K CA 1.350 57.651 56.287 0.025 0.000 0.933 75 K CB -0.237 32.281 32.500 0.029 0.000 0.714 75 K HN 0.318 nan 8.250 nan 0.000 0.438 76 I N 1.054 121.654 120.570 0.050 0.000 2.226 76 I HA -0.223 3.948 4.170 0.001 0.000 0.245 76 I C 2.250 178.419 176.117 0.087 0.000 1.100 76 I CA 1.061 62.428 61.300 0.111 0.000 1.374 76 I CB -0.404 37.599 38.000 0.004 0.000 1.057 76 I HN 0.019 nan 8.210 nan 0.000 0.413 77 A N 0.716 123.530 122.820 -0.009 0.000 2.216 77 A HA -0.148 4.173 4.320 0.001 0.000 0.214 77 A C 1.838 179.427 177.584 0.007 0.000 1.160 77 A CA 1.249 53.281 52.037 -0.009 0.000 0.725 77 A CB -0.621 18.362 19.000 -0.027 0.000 0.784 77 A HN 0.405 nan 8.150 nan 0.000 0.472 78 N N -0.231 118.471 118.700 0.004 0.000 2.270 78 N HA -0.008 4.732 4.740 0.001 0.000 0.181 78 N C 1.368 176.832 175.510 -0.077 0.000 1.016 78 N CA 1.276 54.313 53.050 -0.022 0.000 0.870 78 N CB -0.117 38.362 38.487 -0.013 0.000 0.979 78 N HN 0.566 nan 8.380 nan 0.000 0.431 79 L N -2.212 118.918 121.223 -0.155 0.000 2.653 79 L HA 0.236 4.576 4.340 0.001 0.000 0.230 79 L C -0.283 176.288 176.870 -0.499 0.000 1.055 79 L CA 0.073 54.657 54.840 -0.427 0.000 0.880 79 L CB 0.129 41.740 42.059 -0.747 0.000 1.195 79 L HN -0.057 nan 8.230 nan 0.000 0.492 80 Y N -1.555 118.805 120.300 0.101 0.000 2.567 80 Y HA 0.436 4.987 4.550 0.001 0.000 0.333 80 Y C -0.804 175.186 175.900 0.150 0.000 1.106 80 Y CA -1.023 57.181 58.100 0.173 0.000 1.157 80 Y CB 1.469 40.110 38.460 0.301 0.000 1.277 80 Y HN -0.093 nan 8.280 nan 0.000 0.490 81 W N 3.191 124.627 121.300 0.228 0.000 3.129 81 W HA 0.579 5.239 4.660 0.001 0.000 0.333 81 W C -2.209 174.448 176.519 0.230 0.000 1.141 81 W CA -1.209 56.166 57.345 0.049 0.000 1.224 81 W CB 1.277 30.732 29.460 -0.007 0.000 1.393 81 W HN 0.639 nan 8.180 nan 0.000 0.499 82 W N 4.966 125.574 121.300 -1.153 0.000 2.988 82 W HA 0.801 5.462 4.660 0.001 0.000 0.355 82 W C -3.057 172.413 176.519 -1.749 0.000 1.233 82 W CA -2.551 54.052 57.345 -1.237 0.000 1.176 82 W CB 0.055 29.221 29.460 -0.491 0.000 1.477 82 W HN 0.191 nan 8.180 nan 0.000 0.582 83 P HA 0.162 nan 4.420 nan 0.000 0.280 83 P C -0.593 176.490 177.300 -0.362 0.000 1.244 83 P CA 0.125 62.807 63.100 -0.695 0.000 0.784 83 P CB 0.627 32.019 31.700 -0.512 0.000 0.913 84 N N 1.595 120.095 118.700 -0.333 0.000 2.708 84 N HA -0.165 4.575 4.740 0.001 0.000 0.255 84 N C 0.743 176.100 175.510 -0.254 0.000 1.046 84 N CA 0.553 53.478 53.050 -0.208 0.000 0.715 84 N CB -1.468 36.962 38.487 -0.095 0.000 0.895 84 N HN 0.543 nan 8.380 nan 0.000 0.545 85 M N 0.061 119.347 119.600 -0.523 0.000 2.086 85 M HA -0.132 4.348 4.480 0.001 0.000 0.261 85 M C 2.101 178.221 176.300 -0.299 0.000 1.067 85 M CA 1.747 56.642 55.300 -0.676 0.000 1.116 85 M CB -0.102 31.898 32.600 -1.000 0.000 1.348 85 M HN 0.251 nan 8.290 nan 0.000 0.407 86 R N 0.161 120.523 120.500 -0.231 0.000 2.127 86 R HA -0.133 4.207 4.340 0.001 0.000 0.238 86 R C 2.130 178.371 176.300 -0.097 0.000 1.134 86 R CA 1.209 57.224 56.100 -0.142 0.000 0.975 86 R CB -0.318 29.916 30.300 -0.109 0.000 0.865 86 R HN 0.399 nan 8.270 nan 0.000 0.447 87 K N 0.385 120.738 120.400 -0.078 0.000 2.063 87 K HA -0.154 4.166 4.320 0.001 0.000 0.208 87 K C 1.460 178.041 176.600 -0.032 0.000 1.048 87 K CA 1.485 57.745 56.287 -0.046 0.000 0.928 87 K CB -0.043 32.439 32.500 -0.031 0.000 0.713 87 K HN 0.210 nan 8.250 nan 0.000 0.442 88 D N 0.345 120.753 120.400 0.014 0.000 2.183 88 D HA -0.090 4.551 4.640 0.001 0.000 0.203 88 D C 1.994 178.286 176.300 -0.014 0.000 0.969 88 D CA 0.695 54.721 54.000 0.044 0.000 0.842 88 D CB -0.051 40.871 40.800 0.203 0.000 0.957 88 D HN -0.063 nan 8.370 nan 0.000 0.484 89 V N 0.913 120.799 119.914 -0.046 0.000 2.295 89 V HA -0.196 3.925 4.120 0.001 0.000 0.246 89 V C 2.669 178.652 176.094 -0.185 0.000 1.049 89 V CA 1.055 63.295 62.300 -0.100 0.000 1.024 89 V CB -0.347 31.411 31.823 -0.108 0.000 0.648 89 V HN 0.047 nan 8.190 nan 0.000 0.447 90 V N -0.209 119.596 119.914 -0.182 0.000 2.427 90 V HA -0.264 3.856 4.120 0.001 0.000 0.248 90 V C 2.428 178.367 176.094 -0.259 0.000 1.051 90 V CA 2.141 64.275 62.300 -0.277 0.000 1.048 90 V CB -0.665 31.062 31.823 -0.161 0.000 0.666 90 V HN 0.547 nan 8.190 nan 0.000 0.456 91 K N -0.493 119.819 120.400 -0.148 0.000 2.074 91 K HA -0.263 4.057 4.320 0.001 0.000 0.209 91 K C 2.312 178.827 176.600 -0.141 0.000 1.048 91 K CA 1.639 57.859 56.287 -0.112 0.000 0.926 91 K CB -0.066 32.391 32.500 -0.071 0.000 0.713 91 K HN 0.370 nan 8.250 nan 0.000 0.444 92 Q N 0.634 120.330 119.800 -0.173 0.000 2.046 92 Q HA -0.107 4.233 4.340 0.001 0.000 0.200 92 Q C 2.302 178.128 176.000 -0.290 0.000 0.975 92 Q CA 1.234 56.917 55.803 -0.199 0.000 0.836 92 Q CB -0.305 28.314 28.738 -0.198 0.000 0.896 92 Q HN 0.389 nan 8.270 nan 0.000 0.428 93 L N -0.446 120.519 121.223 -0.431 0.000 2.012 93 L HA -0.155 4.186 4.340 0.001 0.000 0.210 93 L C 2.252 178.978 176.870 -0.239 0.000 1.073 93 L CA 1.398 55.945 54.840 -0.489 0.000 0.748 93 L CB -1.017 40.592 42.059 -0.750 0.000 0.891 93 L HN 0.272 nan 8.230 nan 0.000 0.431 94 G N -0.650 108.023 108.800 -0.212 0.000 2.586 94 G HA2 -0.164 3.797 3.960 0.001 0.000 0.215 94 G HA3 -0.164 3.797 3.960 0.001 0.000 0.215 94 G C 1.677 176.574 174.900 -0.005 0.000 1.128 94 G CA 0.165 45.282 45.100 0.029 0.000 0.774 94 G HN 0.321 nan 8.290 nan 0.000 0.543 95 R N -1.169 119.302 120.500 -0.050 0.000 2.476 95 R HA 0.127 4.467 4.340 0.001 0.000 0.276 95 R C 0.109 176.408 176.300 -0.002 0.000 0.941 95 R CA -0.308 55.777 56.100 -0.024 0.000 1.088 95 R CB 0.271 30.549 30.300 -0.036 0.000 1.216 95 R HN 0.247 nan 8.270 nan 0.000 0.533 96 C N 2.316 121.615 119.300 -0.001 0.000 2.383 96 C HA 0.130 4.591 4.460 0.001 0.000 0.350 96 C C 1.825 176.869 174.990 0.090 0.000 1.173 96 C CA -0.462 58.604 59.018 0.081 0.000 1.645 96 C CB 0.138 27.975 27.740 0.161 0.000 2.221 96 C HN 0.451 nan 8.230 nan 0.000 0.528 97 Q N 2.679 122.523 119.800 0.074 0.000 2.173 97 Q HA -0.235 4.105 4.340 0.001 0.000 0.208 97 Q C 2.082 178.117 176.000 0.057 0.000 0.989 97 Q CA 2.344 58.181 55.803 0.056 0.000 0.872 97 Q CB -0.060 28.707 28.738 0.049 0.000 0.909 97 Q HN 0.925 nan 8.270 nan 0.000 0.420 98 Q N -1.781 118.058 119.800 0.065 0.000 2.123 98 Q HA -0.094 4.246 4.340 0.001 0.000 0.199 98 Q C 2.284 178.291 176.000 0.012 0.000 0.966 98 Q CA 1.493 57.295 55.803 -0.002 0.000 0.845 98 Q CB -0.045 28.623 28.738 -0.116 0.000 0.907 98 Q HN 0.448 nan 8.270 nan 0.000 0.439 99 C N 0.129 119.492 119.300 0.105 0.000 2.466 99 C HA -0.038 4.423 4.460 0.001 0.000 0.278 99 C C 2.412 177.446 174.990 0.074 0.000 1.288 99 C CA 0.351 59.446 59.018 0.128 0.000 1.722 99 C CB -0.859 27.030 27.740 0.248 0.000 2.017 99 C HN 0.490 nan 8.230 nan 0.000 0.488 100 L N 1.381 122.637 121.223 0.055 0.000 2.131 100 L HA -0.115 4.225 4.340 0.001 0.000 0.210 100 L C 2.296 179.161 176.870 -0.007 0.000 1.092 100 L CA 1.642 56.481 54.840 -0.003 0.000 0.759 100 L CB -0.552 41.503 42.059 -0.006 0.000 0.903 100 L HN 0.512 nan 8.230 nan 0.000 0.435 101 I N -5.331 115.270 120.570 0.052 0.000 3.860 101 I HA 0.045 4.215 4.170 0.001 0.000 0.319 101 I C 1.567 177.797 176.117 0.189 0.000 1.279 101 I CA 0.449 61.821 61.300 0.120 0.000 1.220 101 I CB 0.064 38.123 38.000 0.097 0.000 1.027 101 I HN -0.054 nan 8.210 nan 0.000 0.428 102 T N -0.096 114.537 114.554 0.132 0.000 3.056 102 T HA 0.208 4.558 4.350 0.001 0.000 0.243 102 T C 0.759 175.558 174.700 0.166 0.000 0.995 102 T CA -0.187 61.990 62.100 0.129 0.000 1.091 102 T CB -0.167 68.725 68.868 0.040 0.000 0.990 102 T HN 0.196 nan 8.240 nan 0.000 0.464 103 N N 2.098 120.867 118.700 0.114 0.000 2.305 103 N HA 0.374 5.114 4.740 0.001 0.000 0.232 103 N C -0.037 175.561 175.510 0.146 0.000 1.274 103 N CA 0.073 53.180 53.050 0.094 0.000 0.870 103 N CB 0.267 38.778 38.487 0.040 0.000 1.105 103 N HN 0.433 nan 8.380 nan 0.000 0.436 104 A N 0.467 123.370 122.820 0.139 0.000 2.287 104 A HA 0.374 4.694 4.320 0.001 0.000 0.273 104 A C 0.628 178.217 177.584 0.008 0.000 1.091 104 A CA -0.384 51.767 52.037 0.191 0.000 0.817 104 A CB 0.314 19.410 19.000 0.160 0.000 1.069 104 A HN 0.542 nan 8.150 nan 0.000 0.492 105 S N -0.347 115.346 115.700 -0.011 0.000 2.603 105 S HA 0.293 4.764 4.470 0.001 0.000 0.268 105 S C 0.536 175.119 174.600 -0.029 0.000 1.317 105 S CA -0.029 58.097 58.200 -0.123 0.000 1.012 105 S CB 0.079 63.190 63.200 -0.148 0.000 0.926 105 S HN 0.877 nan 8.310 nan 0.000 0.539 106 N N 1.477 120.143 118.700 -0.058 0.000 2.365 106 N HA 0.259 4.999 4.740 0.001 0.000 0.257 106 N C -1.409 174.103 175.510 0.004 0.000 1.287 106 N CA -0.457 52.587 53.050 -0.010 0.000 0.882 106 N CB 0.069 38.547 38.487 -0.015 0.000 1.250 106 N HN 0.265 nan 8.380 nan 0.000 0.507 107 K N 0.440 120.846 120.400 0.010 0.000 2.426 107 K HA 0.720 5.040 4.320 0.001 0.000 0.254 107 K C -0.703 176.035 176.600 0.231 0.000 0.936 107 K CA -0.551 55.792 56.287 0.093 0.000 0.801 107 K CB 2.324 34.846 32.500 0.037 0.000 1.139 107 K HN 0.266 nan 8.250 nan 0.000 0.424 108 A N 1.850 124.802 122.820 0.220 0.000 2.351 108 A HA 0.339 4.660 4.320 0.001 0.000 0.257 108 A C -0.056 177.662 177.584 0.223 0.000 1.087 108 A CA -0.253 51.905 52.037 0.201 0.000 0.798 108 A CB 0.365 19.435 19.000 0.115 0.000 1.033 108 A HN 0.678 nan 8.150 nan 0.000 0.488 109 S N 0.286 116.064 115.700 0.131 0.000 2.558 109 S HA 0.322 4.792 4.470 0.001 0.000 0.287 109 S C 1.107 175.624 174.600 -0.139 0.000 1.321 109 S CA 0.312 58.457 58.200 -0.093 0.000 1.048 109 S CB 0.389 63.577 63.200 -0.021 0.000 0.844 109 S HN 1.146 nan 8.310 nan 0.000 0.512 110 G N 2.613 111.245 108.800 -0.280 0.000 2.667 110 G HA2 0.338 4.298 3.960 0.001 0.000 0.250 110 G HA3 0.338 4.298 3.960 0.001 0.000 0.250 110 G C -2.609 172.235 174.900 -0.094 0.000 1.212 110 G CA -1.048 43.949 45.100 -0.171 0.000 0.874 110 G HN 0.467 nan 8.290 nan 0.000 0.561 111 P HA 0.147 nan 4.420 nan 0.000 0.271 111 P C 0.622 177.907 177.300 -0.025 0.000 1.216 111 P CA -0.159 62.924 63.100 -0.028 0.000 0.771 111 P CB 0.643 32.332 31.700 -0.019 0.000 0.864 112 I N 0.332 120.898 120.570 -0.006 0.000 2.880 112 I HA 0.009 4.179 4.170 0.001 0.000 0.296 112 I C 0.148 176.268 176.117 0.005 0.000 1.220 112 I CA -0.019 61.286 61.300 0.009 0.000 1.435 112 I CB -0.397 37.614 38.000 0.019 0.000 1.339 112 I HN 0.140 nan 8.210 nan 0.000 0.583 113 L N 5.635 126.868 121.223 0.017 0.000 2.395 113 L HA 0.385 4.726 4.340 0.001 0.000 0.269 113 L C 0.355 177.240 176.870 0.026 0.000 1.133 113 L CA -0.581 54.274 54.840 0.024 0.000 0.812 113 L CB 0.444 42.525 42.059 0.037 0.000 1.125 113 L HN 0.606 nan 8.230 nan 0.000 0.452 114 R N 2.461 122.979 120.500 0.030 0.000 2.423 114 R HA 0.355 4.695 4.340 0.001 0.000 0.293 114 R C -2.418 173.980 176.300 0.163 0.000 1.196 114 R CA -2.205 53.910 56.100 0.025 0.000 1.262 114 R CB 0.236 30.461 30.300 -0.125 0.000 1.116 114 R HN 0.294 nan 8.270 nan 0.000 0.566 115 P HA -0.068 nan 4.420 nan 0.000 0.266 115 P C -0.219 177.193 177.300 0.187 0.000 1.186 115 P CA 0.245 63.430 63.100 0.142 0.000 0.767 115 P CB 0.608 32.380 31.700 0.120 0.000 0.820 116 D N 1.537 121.944 120.400 0.012 0.000 2.443 116 D HA 0.002 4.642 4.640 0.001 0.000 0.239 116 D C 0.734 177.010 176.300 -0.039 0.000 1.136 116 D CA 0.283 54.168 54.000 -0.191 0.000 0.879 116 D CB 0.380 41.074 40.800 -0.178 0.000 1.195 116 D HN 0.234 nan 8.370 nan 0.000 0.443 117 R N 2.365 122.828 120.500 -0.063 0.000 2.570 117 R HA 0.104 4.445 4.340 0.001 0.000 0.277 117 R C -2.136 174.175 176.300 0.019 0.000 1.039 117 R CA -1.067 55.056 56.100 0.039 0.000 1.065 117 R CB 0.152 30.482 30.300 0.050 0.000 0.964 117 R HN 0.142 nan 8.270 nan 0.000 0.428 118 P HA -0.120 nan 4.420 nan 0.000 0.266 118 P C -0.203 177.101 177.300 0.007 0.000 1.180 118 P CA 0.416 63.540 63.100 0.041 0.000 0.765 118 P CB 0.523 32.266 31.700 0.071 0.000 0.806 119 Q N 0.988 120.782 119.800 -0.009 0.000 2.137 119 Q HA -0.044 4.296 4.340 0.001 0.000 0.198 119 Q C 0.060 176.047 176.000 -0.022 0.000 0.960 119 Q CA 1.281 57.072 55.803 -0.021 0.000 0.847 119 Q CB 0.080 28.803 28.738 -0.025 0.000 0.915 119 Q HN 0.482 nan 8.270 nan 0.000 0.448 120 K N 0.382 120.772 120.400 -0.015 0.000 2.375 120 K HA 0.380 4.700 4.320 0.001 0.000 0.249 120 K C -2.725 173.856 176.600 -0.032 0.000 0.942 120 K CA -2.327 53.950 56.287 -0.017 0.000 0.806 120 K CB 1.854 34.358 32.500 0.007 0.000 1.227 120 K HN -0.244 nan 8.250 nan 0.000 0.430 121 P HA -0.055 nan 4.420 nan 0.000 0.264 121 P C -0.616 176.602 177.300 -0.138 0.000 1.179 121 P CA 0.525 63.465 63.100 -0.268 0.000 0.763 121 P CB 0.027 31.486 31.700 -0.402 0.000 0.806 122 F N -0.555 119.425 119.950 0.050 0.000 2.794 122 F HA -0.261 4.266 4.527 0.001 0.000 0.335 122 F C 1.259 176.920 175.800 -0.233 0.000 0.653 122 F CA 0.744 58.640 58.000 -0.173 0.000 1.266 122 F CB -2.124 36.771 39.000 -0.175 0.000 1.666 122 F HN 0.280 nan 8.300 nan 0.000 0.314 123 D N 0.591 120.984 120.400 -0.011 0.000 2.117 123 D HA -0.012 4.628 4.640 0.001 0.000 0.198 123 D C 0.995 177.241 176.300 -0.089 0.000 0.982 123 D CA 1.560 55.535 54.000 -0.042 0.000 0.828 123 D CB 0.113 40.904 40.800 -0.016 0.000 0.967 123 D HN 0.390 nan 8.370 nan 0.000 0.464 124 K N -0.321 120.035 120.400 -0.073 0.000 2.553 124 K HA 0.216 4.536 4.320 0.001 0.000 0.250 124 K C -1.619 175.008 176.600 0.045 0.000 0.953 124 K CA -0.544 55.671 56.287 -0.120 0.000 0.800 124 K CB 1.355 33.762 32.500 -0.155 0.000 1.243 124 K HN -0.305 nan 8.250 nan 0.000 0.435 125 F N 3.507 123.356 119.950 -0.168 0.000 2.443 125 F HA 0.472 4.999 4.527 0.000 0.000 0.335 125 F C -0.204 175.412 175.800 -0.306 0.000 1.104 125 F CA -1.122 56.825 58.000 -0.088 0.000 1.013 125 F CB 0.779 39.783 39.000 0.007 0.000 1.136 125 F HN 0.326 nan 8.300 nan 0.000 0.470 126 F N 4.433 124.504 119.950 0.202 0.000 2.420 126 F HA 0.580 5.108 4.527 0.001 0.000 0.342 126 F C 0.423 176.234 175.800 0.018 0.000 1.113 126 F CA -0.803 57.245 58.000 0.079 0.000 1.059 126 F CB 1.136 40.137 39.000 0.001 0.000 1.128 126 F HN 0.281 nan 8.300 nan 0.000 0.475 127 I N -0.313 120.311 120.570 0.091 0.000 2.892 127 I HA 0.898 5.068 4.170 0.001 0.000 0.306 127 I C -1.623 174.442 176.117 -0.087 0.000 1.078 127 I CA -0.663 60.596 61.300 -0.068 0.000 1.032 127 I CB 2.533 40.405 38.000 -0.213 0.000 1.229 127 I HN 0.499 nan 8.210 nan 0.000 0.435 128 D N 1.725 122.098 120.400 -0.046 0.000 2.742 128 D HA 0.407 5.047 4.640 0.001 0.000 0.262 128 D C -2.108 174.222 176.300 0.051 0.000 1.240 128 D CA -0.301 53.780 54.000 0.135 0.000 0.752 128 D CB 1.477 42.362 40.800 0.141 0.000 1.290 128 D HN 0.555 nan 8.370 nan 0.000 0.420 129 Y N 0.520 120.961 120.300 0.235 0.000 2.420 129 Y HA 0.639 5.189 4.550 0.001 0.000 0.334 129 Y C 0.084 176.079 175.900 0.158 0.000 1.094 129 Y CA -0.642 57.572 58.100 0.190 0.000 1.126 129 Y CB 1.592 40.140 38.460 0.146 0.000 1.217 129 Y HN 0.237 nan 8.280 nan 0.000 0.462 130 I N 2.396 123.151 120.570 0.308 0.000 2.404 130 I HA 0.711 4.882 4.170 0.001 0.000 0.293 130 I C 0.268 176.486 176.117 0.168 0.000 0.992 130 I CA 0.040 61.431 61.300 0.151 0.000 1.149 130 I CB 1.363 39.363 38.000 -0.001 0.000 1.315 130 I HN 0.806 nan 8.210 nan 0.000 0.446 131 G N 6.741 115.567 108.800 0.044 0.000 2.359 131 G HA2 0.060 4.020 3.960 0.001 0.000 0.303 131 G HA3 0.060 4.020 3.960 0.001 0.000 0.303 131 G C -3.158 171.612 174.900 -0.218 0.000 1.293 131 G CA -0.995 43.941 45.100 -0.272 0.000 0.964 131 G HN 0.407 nan 8.290 nan 0.000 0.531 132 P HA 0.561 nan 4.420 nan 0.000 0.272 132 P C -0.335 176.737 177.300 -0.379 0.000 1.230 132 P CA -0.102 62.536 63.100 -0.771 0.000 0.788 132 P CB 0.933 32.387 31.700 -0.410 0.000 0.949 133 L N 1.416 122.462 121.223 -0.295 0.000 2.301 133 L HA 0.487 4.828 4.340 0.001 0.000 0.264 133 L C -2.309 174.633 176.870 0.119 0.000 1.016 133 L CA -2.816 51.945 54.840 -0.132 0.000 0.821 133 L CB 1.544 43.367 42.059 -0.394 0.000 1.346 133 L HN 0.162 nan 8.230 nan 0.000 0.429 134 P HA 0.037 nan 4.420 nan 0.000 0.262 134 P C -2.480 175.024 177.300 0.340 0.000 1.182 134 P CA -0.558 62.678 63.100 0.227 0.000 0.761 134 P CB -0.316 31.514 31.700 0.217 0.000 0.795 135 P HA 0.011 nan 4.420 nan 0.000 0.262 135 P C -0.299 177.005 177.300 0.006 0.000 1.182 135 P CA 0.587 63.761 63.100 0.122 0.000 0.761 135 P CB 0.444 32.169 31.700 0.042 0.000 0.795 136 S N 2.875 118.472 115.700 -0.171 0.000 2.659 136 S HA 0.144 4.614 4.470 0.001 0.000 0.312 136 S C -0.104 174.304 174.600 -0.321 0.000 1.114 136 S CA -0.367 57.582 58.200 -0.419 0.000 1.063 136 S CB 0.063 62.631 63.200 -1.054 0.000 0.996 136 S HN 0.457 nan 8.310 nan 0.000 0.478 137 Q N 2.425 122.072 119.800 -0.256 0.000 2.437 137 Q HA -0.255 4.085 4.340 0.001 0.000 0.274 137 Q C 0.959 176.834 176.000 -0.209 0.000 1.165 137 Q CA 1.145 56.794 55.803 -0.257 0.000 0.925 137 Q CB -2.119 26.310 28.738 -0.514 0.000 1.327 137 Q HN 1.612 nan 8.270 nan 0.000 0.505 138 G N -1.606 107.088 108.800 -0.176 0.000 2.179 138 G HA2 -0.360 3.601 3.960 0.001 0.000 0.260 138 G HA3 -0.360 3.601 3.960 0.001 0.000 0.260 138 G C -0.169 174.571 174.900 -0.266 0.000 0.977 138 G CA 0.507 45.474 45.100 -0.221 0.000 0.641 138 G HN 0.385 nan 8.290 nan 0.000 0.533 139 Y N -0.598 119.669 120.300 -0.057 0.000 2.310 139 Y HA 0.661 5.212 4.550 0.001 0.000 0.326 139 Y C 1.526 177.620 175.900 0.323 0.000 1.151 139 Y CA -0.363 57.821 58.100 0.139 0.000 1.195 139 Y CB 1.238 39.793 38.460 0.158 0.000 1.210 139 Y HN -0.011 nan 8.280 nan 0.000 0.483 140 L N 1.550 123.117 121.223 0.573 0.000 2.948 140 L HA 0.266 4.607 4.340 0.001 0.000 0.259 140 L C -0.785 176.175 176.870 0.150 0.000 1.136 140 L CA -0.051 55.016 54.840 0.379 0.000 0.959 140 L CB 0.432 42.583 42.059 0.154 0.000 1.370 140 L HN 0.575 nan 8.230 nan 0.000 0.552 141 Y N -1.039 119.509 120.300 0.413 0.000 2.659 141 Y HA 0.644 5.194 4.550 0.000 0.000 0.333 141 Y C -0.252 175.829 175.900 0.301 0.000 1.064 141 Y CA -1.145 57.121 58.100 0.277 0.000 1.141 141 Y CB 2.113 40.731 38.460 0.262 0.000 1.316 141 Y HN -0.482 nan 8.280 nan 0.000 0.509 142 V N 2.204 122.342 119.914 0.375 0.000 2.623 142 V HA 0.282 4.402 4.120 0.001 0.000 0.304 142 V C -1.250 174.953 176.094 0.182 0.000 1.054 142 V CA -0.716 61.723 62.300 0.231 0.000 0.882 142 V CB 1.938 33.757 31.823 -0.005 0.000 1.002 142 V HN 0.510 nan 8.190 nan 0.000 0.424 143 L N 6.979 128.265 121.223 0.105 0.000 2.276 143 L HA 0.674 5.014 4.340 0.001 0.000 0.286 143 L C -0.542 176.319 176.870 -0.016 0.000 1.061 143 L CA 0.384 55.089 54.840 -0.225 0.000 0.807 143 L CB 1.375 43.279 42.059 -0.258 0.000 1.177 143 L HN 0.443 nan 8.230 nan 0.000 0.429 144 V N 6.162 126.027 119.914 -0.082 0.000 2.384 144 V HA 0.487 4.608 4.120 0.001 0.000 0.287 144 V C -0.348 175.751 176.094 0.009 0.000 1.020 144 V CA -0.623 61.675 62.300 -0.002 0.000 0.850 144 V CB 1.639 33.451 31.823 -0.019 0.000 0.987 144 V HN 0.558 nan 8.190 nan 0.000 0.436 145 V N 5.626 125.590 119.914 0.082 0.000 2.448 145 V HA 0.557 4.677 4.120 0.001 0.000 0.295 145 V C -0.332 175.808 176.094 0.076 0.000 1.025 145 V CA -0.594 61.728 62.300 0.036 0.000 0.859 145 V CB 1.953 33.766 31.823 -0.016 0.000 0.988 145 V HN 0.584 nan 8.190 nan 0.000 0.431 146 V N 3.450 123.394 119.914 0.049 0.000 2.409 146 V HA 0.297 4.417 4.120 0.001 0.000 0.290 146 V C -0.359 175.854 176.094 0.198 0.000 1.017 146 V CA -0.656 61.702 62.300 0.097 0.000 0.841 146 V CB 1.809 33.684 31.823 0.087 0.000 1.003 146 V HN 1.007 nan 8.190 nan 0.000 0.426 147 D N 3.937 124.470 120.400 0.221 0.000 2.417 147 D HA 0.258 4.898 4.640 0.001 0.000 0.250 147 D C 1.469 177.942 176.300 0.287 0.000 1.166 147 D CA 0.876 55.096 54.000 0.366 0.000 0.881 147 D CB 1.839 42.825 40.800 0.309 0.000 1.164 147 D HN 0.560 nan 8.370 nan 0.000 0.467 148 G N 3.726 112.741 108.800 0.358 0.000 2.440 148 G HA2 -0.287 3.673 3.960 0.001 0.000 0.218 148 G HA3 -0.287 3.673 3.960 0.001 0.000 0.218 148 G C 1.233 176.241 174.900 0.179 0.000 1.154 148 G CA 0.624 45.940 45.100 0.360 0.000 0.767 148 G HN 0.559 nan 8.290 nan 0.000 0.552 149 M N 1.357 121.018 119.600 0.103 0.000 2.325 149 M HA 0.008 4.489 4.480 0.001 0.000 0.265 149 M C 2.527 178.835 176.300 0.013 0.000 1.094 149 M CA 2.075 57.399 55.300 0.040 0.000 1.161 149 M CB -0.638 31.958 32.600 -0.007 0.000 1.358 149 M HN 0.335 nan 8.290 nan 0.000 0.446 150 T N -3.386 111.166 114.554 -0.004 0.000 3.037 150 T HA 0.284 4.634 4.350 0.001 0.000 0.252 150 T C 1.484 176.194 174.700 0.016 0.000 1.073 150 T CA 0.900 62.987 62.100 -0.022 0.000 1.091 150 T CB -0.162 68.657 68.868 -0.082 0.000 0.935 150 T HN 0.578 nan 8.240 nan 0.000 0.488 151 G N 1.164 109.982 108.800 0.031 0.000 2.189 151 G HA2 -0.276 3.684 3.960 0.001 0.000 0.267 151 G HA3 -0.276 3.684 3.960 0.001 0.000 0.267 151 G C -0.073 174.797 174.900 -0.050 0.000 0.975 151 G CA 0.098 45.198 45.100 -0.001 0.000 0.644 151 G HN 0.665 nan 8.290 nan 0.000 0.537 152 F N 2.463 122.288 119.950 -0.209 0.000 2.538 152 F HA 0.516 5.043 4.527 0.000 0.000 0.371 152 F C 0.655 176.148 175.800 -0.512 0.000 1.087 152 F CA 0.917 58.680 58.000 -0.394 0.000 1.250 152 F CB 0.914 39.601 39.000 -0.521 0.000 1.110 152 F HN 0.006 nan 8.300 nan 0.000 0.570 153 T N 6.205 120.191 114.554 -0.948 0.000 2.841 153 T HA 0.287 4.637 4.350 0.001 0.000 0.283 153 T C -1.073 173.240 174.700 -0.646 0.000 1.000 153 T CA -0.453 61.319 62.100 -0.547 0.000 0.977 153 T CB 0.885 69.539 68.868 -0.357 0.000 0.979 153 T HN 0.469 nan 8.240 nan 0.000 0.446 154 W N 3.279 124.478 121.300 -0.167 0.000 2.666 154 W HA 0.655 5.315 4.660 0.001 0.000 0.334 154 W C -1.030 175.363 176.519 -0.210 0.000 1.051 154 W CA -0.899 56.350 57.345 -0.160 0.000 1.224 154 W CB 1.447 30.936 29.460 0.048 0.000 1.405 154 W HN 0.329 nan 8.180 nan 0.000 0.513 155 L N 2.864 123.957 121.223 -0.216 0.000 2.385 155 L HA 0.499 4.840 4.340 0.001 0.000 0.273 155 L C -1.476 175.116 176.870 -0.464 0.000 0.990 155 L CA -1.073 53.645 54.840 -0.202 0.000 0.821 155 L CB 1.640 43.614 42.059 -0.141 0.000 1.279 155 L HN 0.281 nan 8.230 nan 0.000 0.412 156 Y N 2.697 123.034 120.300 0.062 0.000 2.329 156 Y HA 0.376 4.926 4.550 0.000 0.000 0.328 156 Y C -2.325 173.657 175.900 0.137 0.000 0.992 156 Y CA -2.428 55.719 58.100 0.078 0.000 1.151 156 Y CB 1.903 40.413 38.460 0.085 0.000 1.150 156 Y HN 0.350 nan 8.280 nan 0.000 0.450 157 P HA 0.112 nan 4.420 nan 0.000 0.271 157 P C -0.236 177.336 177.300 0.453 0.000 1.220 157 P CA 0.070 63.360 63.100 0.316 0.000 0.768 157 P CB 1.447 33.140 31.700 -0.012 0.000 0.848 158 T N -0.488 114.485 114.554 0.698 0.000 2.888 158 T HA 0.445 4.796 4.350 0.001 0.000 0.288 158 T C 0.780 175.880 174.700 0.668 0.000 1.063 158 T CA -0.726 61.787 62.100 0.688 0.000 1.010 158 T CB 1.976 71.143 68.868 0.498 0.000 1.214 158 T HN 0.116 nan 8.240 nan 0.000 0.533 159 K N -0.293 120.311 120.400 0.340 0.000 2.334 159 K HA 0.604 4.924 4.320 0.001 0.000 0.195 159 K C 0.504 177.211 176.600 0.179 0.000 1.045 159 K CA 0.344 56.735 56.287 0.174 0.000 1.004 159 K CB 0.539 33.018 32.500 -0.035 0.000 0.837 159 K HN 0.795 nan 8.250 nan 0.000 0.510 160 A N 0.783 123.601 122.820 -0.003 0.000 2.612 160 A HA 0.412 4.732 4.320 0.001 0.000 0.293 160 A C -2.756 174.363 177.584 -0.774 0.000 1.075 160 A CA -1.171 50.621 52.037 -0.408 0.000 0.680 160 A CB 1.094 19.933 19.000 -0.269 0.000 1.279 160 A HN -0.135 nan 8.150 nan 0.000 0.411 161 P HA 0.173 nan 4.420 nan 0.000 0.212 161 P C -0.081 176.613 177.300 -1.012 0.000 1.816 161 P CA 0.166 62.258 63.100 -1.679 0.000 0.944 161 P CB -0.356 30.433 31.700 -1.519 0.000 1.896 162 S N -1.199 114.130 115.700 -0.618 0.000 2.646 162 S HA 0.273 4.743 4.470 0.001 0.000 0.276 162 S C 1.422 175.865 174.600 -0.263 0.000 1.222 162 S CA -0.269 57.712 58.200 -0.365 0.000 1.014 162 S CB 0.569 63.634 63.200 -0.226 0.000 0.991 162 S HN 0.032 nan 8.310 nan 0.000 0.533 163 T N 2.290 116.714 114.554 -0.216 0.000 2.665 163 T HA -0.186 4.164 4.350 0.001 0.000 0.268 163 T C 2.269 176.926 174.700 -0.071 0.000 1.035 163 T CA 2.263 64.283 62.100 -0.133 0.000 1.151 163 T CB -0.857 67.982 68.868 -0.048 0.000 0.862 163 T HN 0.922 nan 8.240 nan 0.000 0.438 164 S N 1.763 117.428 115.700 -0.058 0.000 2.382 164 S HA -0.011 4.459 4.470 0.001 0.000 0.228 164 S C 2.367 176.953 174.600 -0.024 0.000 1.027 164 S CA 1.116 59.298 58.200 -0.030 0.000 0.991 164 S CB -0.539 62.651 63.200 -0.018 0.000 0.823 164 S HN 0.506 nan 8.310 nan 0.000 0.469 165 A N 1.314 124.125 122.820 -0.015 0.000 1.968 165 A HA 0.065 4.385 4.320 0.001 0.000 0.217 165 A C 2.367 179.980 177.584 0.049 0.000 1.169 165 A CA 1.737 53.802 52.037 0.047 0.000 0.638 165 A CB -1.416 17.638 19.000 0.090 0.000 0.812 165 A HN 0.592 nan 8.150 nan 0.000 0.446 166 T N -0.427 114.149 114.554 0.038 0.000 2.737 166 T HA -0.108 4.243 4.350 0.001 0.000 0.265 166 T C 1.889 176.475 174.700 -0.191 0.000 1.038 166 T CA 1.569 63.661 62.100 -0.012 0.000 1.144 166 T CB -0.392 68.469 68.868 -0.012 0.000 0.866 166 T HN 0.134 nan 8.240 nan 0.000 0.434 167 V N 1.579 121.355 119.914 -0.229 0.000 2.261 167 V HA -0.185 3.936 4.120 0.001 0.000 0.246 167 V C 2.533 178.479 176.094 -0.246 0.000 1.047 167 V CA 1.573 63.601 62.300 -0.453 0.000 1.015 167 V CB -0.491 31.112 31.823 -0.367 0.000 0.642 167 V HN 0.458 nan 8.190 nan 0.000 0.446 168 K N 0.163 120.499 120.400 -0.106 0.000 2.032 168 K HA -0.243 4.078 4.320 0.001 0.000 0.218 168 K C 2.336 178.880 176.600 -0.093 0.000 1.054 168 K CA 2.177 58.440 56.287 -0.039 0.000 0.941 168 K CB -0.543 31.967 32.500 0.017 0.000 0.720 168 K HN 0.450 nan 8.250 nan 0.000 0.449 169 S N 1.543 117.126 115.700 -0.194 0.000 2.359 169 S HA -0.111 4.359 4.470 0.001 0.000 0.224 169 S C 2.043 176.314 174.600 -0.548 0.000 1.035 169 S CA 1.207 59.102 58.200 -0.509 0.000 1.018 169 S CB -0.313 62.448 63.200 -0.733 0.000 0.876 169 S HN 0.204 nan 8.310 nan 0.000 0.448 170 L N 1.675 122.684 121.223 -0.357 0.000 2.275 170 L HA -0.067 4.273 4.340 0.001 0.000 0.215 170 L C 2.065 178.996 176.870 0.102 0.000 1.119 170 L CA 0.594 55.345 54.840 -0.148 0.000 0.790 170 L CB -0.648 41.329 42.059 -0.137 0.000 0.919 170 L HN 0.247 nan 8.230 nan 0.000 0.443 171 N N -0.193 118.571 118.700 0.107 0.000 2.188 171 N HA -0.122 4.619 4.740 0.001 0.000 0.184 171 N C 1.909 177.479 175.510 0.100 0.000 1.018 171 N CA 1.060 54.230 53.050 0.199 0.000 0.858 171 N CB -0.251 38.353 38.487 0.196 0.000 0.989 171 N HN 0.105 nan 8.380 nan 0.000 0.426 172 V N 1.221 121.160 119.914 0.041 0.000 2.358 172 V HA -0.146 3.974 4.120 0.001 0.000 0.246 172 V C 2.274 178.414 176.094 0.076 0.000 1.047 172 V CA 0.967 63.312 62.300 0.076 0.000 1.035 172 V CB -0.425 31.472 31.823 0.124 0.000 0.658 172 V HN 0.199 nan 8.190 nan 0.000 0.452 173 L N 1.105 122.329 121.223 0.001 0.000 2.044 173 L HA -0.101 4.239 4.340 0.001 0.000 0.205 173 L C 2.648 179.493 176.870 -0.042 0.000 1.075 173 L CA 2.772 57.574 54.840 -0.064 0.000 0.747 173 L CB -1.200 40.724 42.059 -0.224 0.000 0.903 173 L HN 0.565 nan 8.230 nan 0.000 0.435 174 T N -4.232 110.341 114.554 0.032 0.000 3.072 174 T HA -0.062 4.288 4.350 0.001 0.000 0.266 174 T C 1.857 176.546 174.700 -0.018 0.000 1.127 174 T CA 1.025 63.138 62.100 0.021 0.000 1.107 174 T CB -0.701 68.207 68.868 0.066 0.000 0.910 174 T HN 0.304 nan 8.240 nan 0.000 0.513 175 S N 1.054 116.764 115.700 0.016 0.000 2.440 175 S HA 0.040 4.510 4.470 0.001 0.000 0.240 175 S C 1.709 176.310 174.600 0.001 0.000 1.014 175 S CA 0.963 59.172 58.200 0.015 0.000 0.980 175 S CB -0.415 62.816 63.200 0.051 0.000 0.775 175 S HN 0.577 nan 8.310 nan 0.000 0.499 176 I N 0.099 120.669 120.570 -0.000 0.000 2.385 176 I HA 0.166 4.337 4.170 0.001 0.000 0.244 176 I C 0.911 176.936 176.117 -0.153 0.000 1.089 176 I CA 0.537 61.840 61.300 0.004 0.000 1.410 176 I CB 0.065 38.151 38.000 0.143 0.000 1.117 176 I HN 0.234 nan 8.210 nan 0.000 0.429 177 A N 0.199 122.849 122.820 -0.282 0.000 2.610 177 A HA 0.647 4.967 4.320 0.001 0.000 0.291 177 A C -1.256 176.090 177.584 -0.397 0.000 1.086 177 A CA -0.490 51.221 52.037 -0.545 0.000 0.677 177 A CB 1.447 19.613 19.000 -1.390 0.000 1.278 177 A HN -0.018 nan 8.150 nan 0.000 0.414 178 I N 2.253 122.595 120.570 -0.380 0.000 2.377 178 I HA 0.410 4.581 4.170 0.001 0.000 0.293 178 I C -2.203 173.723 176.117 -0.317 0.000 0.987 178 I CA -1.713 59.417 61.300 -0.284 0.000 1.185 178 I CB 1.561 39.416 38.000 -0.241 0.000 1.341 178 I HN 0.472 nan 8.210 nan 0.000 0.455 179 P HA 0.363 nan 4.420 nan 0.000 0.284 179 P C 0.139 177.270 177.300 -0.281 0.000 1.258 179 P CA -0.625 62.217 63.100 -0.429 0.000 0.824 179 P CB 1.724 32.844 31.700 -0.966 0.000 1.038 180 K N 0.086 120.364 120.400 -0.203 0.000 1.985 180 K HA 0.027 4.347 4.320 0.001 0.000 0.210 180 K C 0.501 177.025 176.600 -0.127 0.000 1.047 180 K CA 1.242 57.446 56.287 -0.139 0.000 0.932 180 K CB -0.250 32.195 32.500 -0.093 0.000 0.716 180 K HN 0.259 nan 8.250 nan 0.000 0.439 181 V N 1.467 121.293 119.914 -0.148 0.000 2.628 181 V HA 0.356 4.476 4.120 0.001 0.000 0.306 181 V C -0.478 175.507 176.094 -0.183 0.000 1.045 181 V CA -0.767 61.454 62.300 -0.131 0.000 0.905 181 V CB 1.998 33.772 31.823 -0.083 0.000 0.997 181 V HN 0.126 nan 8.190 nan 0.000 0.436 182 I N 3.038 123.506 120.570 -0.170 0.000 2.418 182 I HA 0.415 4.585 4.170 0.001 0.000 0.287 182 I C -0.646 175.339 176.117 -0.221 0.000 1.008 182 I CA -0.391 60.843 61.300 -0.110 0.000 1.104 182 I CB 1.504 39.522 38.000 0.029 0.000 1.264 182 I HN 0.742 nan 8.210 nan 0.000 0.438 183 H N 5.519 124.377 119.070 -0.352 0.000 2.457 183 H HA 0.712 5.268 4.556 0.001 0.000 0.335 183 H C -0.480 174.728 175.328 -0.201 0.000 1.115 183 H CA -0.213 55.634 56.048 -0.336 0.000 1.219 183 H CB 1.254 30.753 29.762 -0.439 0.000 1.471 183 H HN 0.649 nan 8.280 nan 0.000 0.491 184 S N 2.723 118.356 115.700 -0.113 0.000 2.752 184 S HA 0.266 4.736 4.470 0.001 0.000 0.284 184 S C -1.034 173.712 174.600 0.243 0.000 1.189 184 S CA -0.920 57.314 58.200 0.057 0.000 0.835 184 S CB 1.298 64.265 63.200 -0.388 0.000 1.192 184 S HN 0.766 nan 8.310 nan 0.000 0.506 185 D N -0.205 120.398 120.400 0.339 0.000 2.447 185 D HA 0.214 4.854 4.640 0.001 0.000 0.265 185 D C 0.061 176.566 176.300 0.343 0.000 1.250 185 D CA -0.499 53.688 54.000 0.311 0.000 1.046 185 D CB -0.063 40.874 40.800 0.228 0.000 1.095 185 D HN 0.652 nan 8.370 nan 0.000 0.555 186 Q N -0.731 119.134 119.800 0.107 0.000 2.294 186 Q HA 0.280 4.620 4.340 0.001 0.000 0.256 186 Q C 0.375 176.335 176.000 -0.066 0.000 0.907 186 Q CA -0.395 55.371 55.803 -0.061 0.000 0.954 186 Q CB 0.177 28.799 28.738 -0.193 0.000 1.102 186 Q HN 0.527 nan 8.270 nan 0.000 0.429 187 G N -0.053 108.776 108.800 0.048 0.000 2.432 187 G HA2 0.153 4.113 3.960 0.001 0.000 0.239 187 G HA3 0.153 4.113 3.960 0.001 0.000 0.239 187 G C 1.029 175.789 174.900 -0.234 0.000 1.291 187 G CA 0.194 45.225 45.100 -0.116 0.000 0.863 187 G HN 0.393 nan 8.290 nan 0.000 0.560 188 A N 2.856 125.533 122.820 -0.239 0.000 1.929 188 A HA -0.134 4.187 4.320 0.001 0.000 0.221 188 A C 2.793 180.200 177.584 -0.295 0.000 1.211 188 A CA 2.997 54.900 52.037 -0.225 0.000 0.657 188 A CB -0.872 18.006 19.000 -0.203 0.000 0.827 188 A HN 1.609 nan 8.150 nan 0.000 0.462 189 A N -2.185 120.316 122.820 -0.532 0.000 2.070 189 A HA 0.104 4.424 4.320 0.001 0.000 0.220 189 A C 1.630 178.857 177.584 -0.595 0.000 1.159 189 A CA 1.643 53.288 52.037 -0.654 0.000 0.656 189 A CB -0.542 17.888 19.000 -0.950 0.000 0.800 189 A HN 0.548 nan 8.150 nan 0.000 0.453 190 F N -1.009 118.834 119.950 -0.178 0.000 2.727 190 F HA 0.108 4.635 4.527 0.001 0.000 0.302 190 F C 2.277 178.251 175.800 0.290 0.000 1.107 190 F CA 0.957 58.863 58.000 -0.156 0.000 1.277 190 F CB -0.569 38.452 39.000 0.035 0.000 1.079 190 F HN 0.215 nan 8.300 nan 0.000 0.594 191 T N -2.790 111.886 114.554 0.205 0.000 3.037 191 T HA 0.084 4.434 4.350 0.001 0.000 0.251 191 T C 1.101 175.857 174.700 0.093 0.000 1.079 191 T CA 0.351 62.476 62.100 0.042 0.000 1.067 191 T CB -0.644 68.101 68.868 -0.204 0.000 0.948 191 T HN 0.117 nan 8.240 nan 0.000 0.496 192 S N 2.349 118.107 115.700 0.096 0.000 2.559 192 S HA 0.074 4.545 4.470 0.001 0.000 0.282 192 S C 1.548 176.249 174.600 0.169 0.000 1.336 192 S CA 0.009 58.265 58.200 0.093 0.000 1.037 192 S CB 0.788 64.025 63.200 0.062 0.000 0.853 192 S HN 0.513 nan 8.310 nan 0.000 0.523 193 S N 1.944 117.715 115.700 0.118 0.000 2.436 193 S HA -0.079 4.391 4.470 0.001 0.000 0.228 193 S C 1.709 176.399 174.600 0.149 0.000 1.014 193 S CA 0.905 59.181 58.200 0.125 0.000 0.950 193 S CB -1.264 61.984 63.200 0.080 0.000 0.784 193 S HN 0.820 nan 8.310 nan 0.000 0.504 194 T N 2.067 116.711 114.554 0.149 0.000 2.684 194 T HA -0.069 4.282 4.350 0.001 0.000 0.267 194 T C 1.247 176.103 174.700 0.260 0.000 1.036 194 T CA 1.599 63.799 62.100 0.167 0.000 1.148 194 T CB -0.575 68.373 68.868 0.132 0.000 0.863 194 T HN 0.458 nan 8.240 nan 0.000 0.436 195 F N 2.093 122.125 119.950 0.136 0.000 2.146 195 F HA 0.060 4.587 4.527 0.000 0.000 0.298 195 F C 2.459 178.428 175.800 0.281 0.000 1.096 195 F CA 0.696 58.814 58.000 0.197 0.000 1.275 195 F CB -0.818 38.294 39.000 0.186 0.000 1.008 195 F HN 0.143 nan 8.300 nan 0.000 0.480 196 A N -0.133 122.819 122.820 0.221 0.000 1.917 196 A HA -0.262 4.058 4.320 0.001 0.000 0.219 196 A C 2.141 179.745 177.584 0.034 0.000 1.182 196 A CA 2.179 54.281 52.037 0.107 0.000 0.633 196 A CB -0.910 18.181 19.000 0.151 0.000 0.819 196 A HN 0.542 nan 8.150 nan 0.000 0.448 197 E N -2.033 118.214 120.200 0.079 0.000 2.112 197 E HA -0.159 4.192 4.350 0.001 0.000 0.190 197 E C 1.677 178.296 176.600 0.032 0.000 0.979 197 E CA 0.920 57.348 56.400 0.048 0.000 0.814 197 E CB -0.218 29.526 29.700 0.072 0.000 0.762 197 E HN 0.847 nan 8.360 nan 0.000 0.460 198 W N 1.342 122.575 121.300 -0.111 0.000 2.338 198 W HA -0.222 4.439 4.660 0.000 0.000 0.304 198 W C 2.147 178.531 176.519 -0.226 0.000 1.212 198 W CA 2.027 59.287 57.345 -0.142 0.000 1.264 198 W CB -0.163 29.230 29.460 -0.111 0.000 1.142 198 W HN 0.036 nan 8.180 nan 0.000 0.512 199 A N 0.493 123.201 122.820 -0.187 0.000 1.873 199 A HA -0.184 4.136 4.320 0.001 0.000 0.215 199 A C 2.102 179.492 177.584 -0.323 0.000 1.186 199 A CA 1.796 53.608 52.037 -0.375 0.000 0.616 199 A CB -0.978 17.855 19.000 -0.278 0.000 0.823 199 A HN 0.314 nan 8.150 nan 0.000 0.442 200 K N -0.167 120.118 120.400 -0.193 0.000 2.032 200 K HA -0.200 4.120 4.320 0.001 0.000 0.209 200 K C 1.791 178.283 176.600 -0.181 0.000 1.048 200 K CA 1.763 57.966 56.287 -0.140 0.000 0.927 200 K CB -0.251 32.206 32.500 -0.072 0.000 0.712 200 K HN 0.576 nan 8.250 nan 0.000 0.441 201 E N -0.276 119.798 120.200 -0.210 0.000 2.394 201 E HA -0.198 4.153 4.350 0.001 0.000 0.202 201 E C 1.078 177.496 176.600 -0.302 0.000 1.029 201 E CA 1.173 57.432 56.400 -0.235 0.000 0.855 201 E CB 0.117 29.668 29.700 -0.248 0.000 0.770 201 E HN 0.209 nan 8.360 nan 0.000 0.527 202 R N -2.092 118.182 120.500 -0.377 0.000 2.549 202 R HA 0.168 4.509 4.340 0.001 0.000 0.361 202 R C 0.704 176.835 176.300 -0.282 0.000 0.969 202 R CA 0.413 56.286 56.100 -0.378 0.000 1.158 202 R CB 1.397 31.349 30.300 -0.580 0.000 1.456 202 R HN 0.125 nan 8.270 nan 0.000 0.540 203 G N 1.773 110.438 108.800 -0.226 0.000 2.179 203 G HA2 -0.288 3.672 3.960 0.001 0.000 0.257 203 G HA3 -0.288 3.672 3.960 0.001 0.000 0.257 203 G C 0.104 174.906 174.900 -0.163 0.000 1.010 203 G CA 0.120 45.121 45.100 -0.164 0.000 0.736 203 G HN 0.261 nan 8.290 nan 0.000 0.513 204 I N 0.712 121.154 120.570 -0.213 0.000 2.371 204 I HA 0.248 4.419 4.170 0.001 0.000 0.290 204 I C 0.784 176.835 176.117 -0.110 0.000 1.028 204 I CA -0.927 60.262 61.300 -0.186 0.000 1.345 204 I CB 0.781 38.630 38.000 -0.252 0.000 1.407 204 I HN 0.223 nan 8.210 nan 0.000 0.501 205 H N 7.226 126.199 119.070 -0.161 0.000 2.620 205 H HA 0.373 4.929 4.556 0.001 0.000 0.313 205 H C -0.795 174.429 175.328 -0.173 0.000 1.075 205 H CA -0.256 55.707 56.048 -0.142 0.000 1.397 205 H CB 0.684 30.377 29.762 -0.116 0.000 1.446 205 H HN 0.445 nan 8.280 nan 0.000 0.493 206 L N 5.158 125.955 121.223 -0.711 0.000 2.281 206 L HA 0.251 4.591 4.340 0.001 0.000 0.285 206 L C 0.461 176.684 176.870 -1.079 0.000 1.074 206 L CA -0.021 54.366 54.840 -0.755 0.000 0.817 206 L CB 0.733 42.478 42.059 -0.523 0.000 1.168 206 L HN 0.676 nan 8.230 nan 0.000 0.434 207 E N 2.759 122.411 120.200 -0.913 0.000 2.212 207 E HA 0.557 4.908 4.350 0.001 0.000 0.268 207 E C -1.637 174.377 176.600 -0.976 0.000 0.902 207 E CA -0.673 55.309 56.400 -0.696 0.000 0.779 207 E CB 1.686 31.183 29.700 -0.339 0.000 1.172 207 E HN 0.240 nan 8.360 nan 0.000 0.409 208 F N 0.859 120.583 119.950 -0.376 0.000 2.551 208 F HA 0.321 4.848 4.527 0.000 0.000 0.316 208 F C 0.254 175.886 175.800 -0.279 0.000 1.089 208 F CA -0.682 57.117 58.000 -0.335 0.000 0.915 208 F CB 2.201 41.132 39.000 -0.115 0.000 1.186 208 F HN 0.232 nan 8.300 nan 0.000 0.456 209 S N 0.974 116.717 115.700 0.071 0.000 2.565 209 S HA 0.301 4.771 4.470 0.001 0.000 0.276 209 S C 0.079 174.802 174.600 0.205 0.000 1.326 209 S CA -0.749 57.611 58.200 0.266 0.000 1.045 209 S CB 0.584 64.013 63.200 0.382 0.000 0.918 209 S HN 0.725 nan 8.310 nan 0.000 0.505 210 T N 2.114 116.789 114.554 0.202 0.000 2.856 210 T HA 0.155 4.505 4.350 0.001 0.000 0.329 210 T C -2.722 172.063 174.700 0.142 0.000 1.094 210 T CA -1.137 61.049 62.100 0.143 0.000 1.112 210 T CB -0.672 68.257 68.868 0.102 0.000 1.009 210 T HN 0.244 nan 8.240 nan 0.000 0.550 211 P HA 0.190 nan 4.420 nan 0.000 0.271 211 P C -0.443 176.961 177.300 0.174 0.000 1.218 211 P CA -0.343 62.781 63.100 0.041 0.000 0.780 211 P CB -0.263 31.505 31.700 0.113 0.000 0.901 212 Y N -0.437 119.944 120.300 0.134 0.000 3.108 212 Y HA -0.266 4.285 4.550 0.001 0.000 0.208 212 Y C 0.587 176.605 175.900 0.197 0.000 1.245 212 Y CA 1.027 59.205 58.100 0.130 0.000 1.171 212 Y CB -2.444 36.069 38.460 0.088 0.000 1.331 212 Y HN 0.563 nan 8.280 nan 0.000 0.534 213 H N 0.771 119.936 119.070 0.157 0.000 2.514 213 H HA 0.156 4.712 4.556 0.001 0.000 0.226 213 H C -1.988 173.414 175.328 0.123 0.000 1.421 213 H CA -1.616 54.517 56.048 0.141 0.000 1.394 213 H CB 1.317 31.162 29.762 0.138 0.000 1.701 213 H HN 0.064 nan 8.280 nan 0.000 0.515 214 P HA -0.174 nan 4.420 nan 0.000 0.221 214 P C 1.098 178.327 177.300 -0.119 0.000 1.145 214 P CA 0.845 63.928 63.100 -0.027 0.000 0.795 214 P CB 0.464 32.163 31.700 -0.000 0.000 0.775 215 Q N -0.005 119.604 119.800 -0.319 0.000 2.268 215 Q HA -0.129 4.212 4.340 0.001 0.000 0.210 215 Q C 2.429 178.351 176.000 -0.129 0.000 0.988 215 Q CA 1.919 57.561 55.803 -0.268 0.000 0.883 215 Q CB -0.938 27.572 28.738 -0.380 0.000 0.911 215 Q HN 0.259 nan 8.270 nan 0.000 0.430 216 S N 0.303 115.985 115.700 -0.031 0.000 2.406 216 S HA -0.119 4.351 4.470 0.001 0.000 0.228 216 S C 1.049 175.680 174.600 0.052 0.000 1.020 216 S CA 0.949 59.244 58.200 0.160 0.000 0.965 216 S CB 0.016 63.452 63.200 0.394 0.000 0.798 216 S HN 0.425 nan 8.310 nan 0.000 0.488 217 Q N 0.849 120.682 119.800 0.055 0.000 2.228 217 Q HA 0.336 4.677 4.340 0.001 0.000 0.211 217 Q C 1.710 177.594 176.000 -0.193 0.000 0.890 217 Q CA 0.201 55.987 55.803 -0.028 0.000 0.953 217 Q CB -0.501 28.326 28.738 0.148 0.000 1.053 217 Q HN 0.423 nan 8.270 nan 0.000 0.471 218 G N 1.815 110.487 108.800 -0.214 0.000 2.606 218 G HA2 -0.384 3.576 3.960 0.001 0.000 0.221 218 G HA3 -0.384 3.576 3.960 0.001 0.000 0.221 218 G C 1.442 176.183 174.900 -0.266 0.000 1.152 218 G CA 0.928 45.904 45.100 -0.208 0.000 0.765 218 G HN 0.225 nan 8.290 nan 0.000 0.595 219 K N -0.267 119.849 120.400 -0.473 0.000 2.032 219 K HA -0.134 4.187 4.320 0.001 0.000 0.218 219 K C 2.593 179.036 176.600 -0.261 0.000 1.054 219 K CA 1.705 57.715 56.287 -0.463 0.000 0.941 219 K CB -0.998 30.968 32.500 -0.890 0.000 0.720 219 K HN 0.303 nan 8.250 nan 0.000 0.449 220 V N 1.414 121.203 119.914 -0.209 0.000 2.488 220 V HA -0.132 3.988 4.120 0.001 0.000 0.246 220 V C 2.053 178.117 176.094 -0.050 0.000 1.046 220 V CA 1.464 63.730 62.300 -0.057 0.000 1.053 220 V CB -0.079 31.776 31.823 0.053 0.000 0.679 220 V HN 0.246 nan 8.190 nan 0.000 0.458 221 E N 0.524 120.690 120.200 -0.056 0.000 2.058 221 E HA -0.270 4.081 4.350 0.001 0.000 0.194 221 E C 2.328 178.896 176.600 -0.053 0.000 0.997 221 E CA 1.658 58.036 56.400 -0.037 0.000 0.801 221 E CB -0.467 29.210 29.700 -0.038 0.000 0.746 221 E HN 0.476 nan 8.360 nan 0.000 0.450 222 R N 1.601 122.054 120.500 -0.079 0.000 2.096 222 R HA -0.134 4.206 4.340 0.001 0.000 0.235 222 R C 2.032 178.289 176.300 -0.071 0.000 1.127 222 R CA 1.789 57.844 56.100 -0.075 0.000 0.968 222 R CB -0.287 29.960 30.300 -0.089 0.000 0.861 222 R HN -0.063 nan 8.270 nan 0.000 0.440 223 K N 0.192 120.546 120.400 -0.075 0.000 2.155 223 K HA 0.017 4.337 4.320 0.001 0.000 0.203 223 K C 1.478 178.036 176.600 -0.070 0.000 1.052 223 K CA 1.368 57.610 56.287 -0.076 0.000 0.948 223 K CB -0.158 32.294 32.500 -0.080 0.000 0.728 223 K HN 0.203 nan 8.250 nan 0.000 0.448 224 N N 0.206 118.873 118.700 -0.056 0.000 2.104 224 N HA -0.185 4.555 4.740 0.001 0.000 0.190 224 N C 1.701 177.176 175.510 -0.059 0.000 1.024 224 N CA 1.478 54.497 53.050 -0.052 0.000 0.853 224 N CB -0.819 37.650 38.487 -0.031 0.000 1.008 224 N HN 0.210 nan 8.380 nan 0.000 0.424 225 S N 0.902 116.570 115.700 -0.054 0.000 2.368 225 S HA -0.177 4.294 4.470 0.001 0.000 0.226 225 S C 1.293 175.859 174.600 -0.058 0.000 1.044 225 S CA 1.574 59.742 58.200 -0.053 0.000 1.062 225 S CB -0.285 62.886 63.200 -0.048 0.000 0.931 225 S HN 0.235 nan 8.310 nan 0.000 0.440 226 D N 0.965 121.328 120.400 -0.063 0.000 2.117 226 D HA -0.047 4.593 4.640 0.001 0.000 0.197 226 D C 1.980 178.237 176.300 -0.072 0.000 0.987 226 D CA 1.221 55.181 54.000 -0.066 0.000 0.829 226 D CB -0.500 40.256 40.800 -0.072 0.000 0.961 226 D HN 0.474 nan 8.370 nan 0.000 0.460 227 I N 1.125 121.646 120.570 -0.081 0.000 2.118 227 I HA -0.305 3.866 4.170 0.001 0.000 0.241 227 I C 2.389 178.455 176.117 -0.085 0.000 1.070 227 I CA 1.371 62.618 61.300 -0.088 0.000 1.327 227 I CB -0.210 37.733 38.000 -0.096 0.000 1.034 227 I HN -0.058 nan 8.210 nan 0.000 0.405 228 K N 0.218 120.566 120.400 -0.087 0.000 2.057 228 K HA -0.215 4.105 4.320 0.001 0.000 0.207 228 K C 2.292 178.854 176.600 -0.063 0.000 1.049 228 K CA 1.366 57.600 56.287 -0.088 0.000 0.931 228 K CB -0.253 32.196 32.500 -0.086 0.000 0.714 228 K HN 0.231 nan 8.250 nan 0.000 0.440 229 R N 1.061 121.528 120.500 -0.055 0.000 2.073 229 R HA -0.151 4.189 4.340 0.001 0.000 0.234 229 R C 2.310 178.586 176.300 -0.039 0.000 1.134 229 R CA 1.220 57.293 56.100 -0.044 0.000 0.952 229 R CB -0.260 30.014 30.300 -0.043 0.000 0.850 229 R HN 0.100 nan 8.270 nan 0.000 0.433 230 L N 0.871 122.067 121.223 -0.044 0.000 2.109 230 L HA -0.040 4.300 4.340 0.001 0.000 0.207 230 L C 1.952 178.806 176.870 -0.025 0.000 1.086 230 L CA 1.479 56.297 54.840 -0.038 0.000 0.760 230 L CB -0.348 41.683 42.059 -0.048 0.000 0.910 230 L HN 0.257 nan 8.230 nan 0.000 0.437 231 L N -0.973 120.234 121.223 -0.027 0.000 2.042 231 L HA -0.255 4.085 4.340 0.001 0.000 0.210 231 L C 2.337 179.211 176.870 0.008 0.000 1.076 231 L CA 1.891 56.730 54.840 -0.002 0.000 0.749 231 L CB -1.060 40.989 42.059 -0.018 0.000 0.893 231 L HN 0.304 nan 8.230 nan 0.000 0.432 232 T N -0.443 114.105 114.554 -0.011 0.000 2.595 232 T HA -0.243 4.107 4.350 0.001 0.000 0.264 232 T C 1.856 176.557 174.700 0.001 0.000 1.058 232 T CA 1.497 63.594 62.100 -0.005 0.000 1.166 232 T CB -0.202 68.656 68.868 -0.017 0.000 0.863 232 T HN 0.263 nan 8.240 nan 0.000 0.415 233 K N 0.687 121.083 120.400 -0.007 0.000 2.127 233 K HA -0.074 4.246 4.320 0.001 0.000 0.208 233 K C 2.172 178.772 176.600 0.001 0.000 1.047 233 K CA 1.194 57.477 56.287 -0.007 0.000 0.927 233 K CB -0.385 32.107 32.500 -0.014 0.000 0.716 233 K HN 0.310 nan 8.250 nan 0.000 0.450 234 L N 0.251 121.477 121.223 0.006 0.000 2.313 234 L HA -0.054 4.286 4.340 0.001 0.000 0.214 234 L C 1.645 178.529 176.870 0.023 0.000 1.119 234 L CA 0.529 55.377 54.840 0.012 0.000 0.809 234 L CB 0.063 42.130 42.059 0.014 0.000 0.933 234 L HN 0.152 nan 8.230 nan 0.000 0.449 235 L N -0.931 120.310 121.223 0.030 0.000 2.667 235 L HA 0.148 4.489 4.340 0.001 0.000 0.232 235 L C 0.459 177.346 176.870 0.029 0.000 1.138 235 L CA -0.451 54.413 54.840 0.041 0.000 0.921 235 L CB 0.633 42.730 42.059 0.063 0.000 1.180 235 L HN -0.120 nan 8.230 nan 0.000 0.487 236 V N 1.500 121.425 119.914 0.018 0.000 2.644 236 V HA -0.022 4.099 4.120 0.001 0.000 0.305 236 V C 1.670 177.772 176.094 0.014 0.000 1.053 236 V CA 1.363 63.671 62.300 0.013 0.000 1.186 236 V CB 0.249 32.075 31.823 0.006 0.000 0.895 236 V HN 0.697 nan 8.190 nan 0.000 0.490 237 G N 4.380 113.188 108.800 0.013 0.000 2.219 237 G HA2 -0.322 3.638 3.960 0.001 0.000 0.271 237 G HA3 -0.322 3.638 3.960 0.001 0.000 0.271 237 G C 0.380 175.289 174.900 0.015 0.000 0.991 237 G CA 1.060 46.168 45.100 0.012 0.000 0.685 237 G HN 0.691 nan 8.290 nan 0.000 0.531 238 R N 0.370 120.882 120.500 0.020 0.000 2.828 238 R HA 0.582 4.922 4.340 0.001 0.000 0.264 238 R C -2.099 174.218 176.300 0.030 0.000 1.022 238 R CA -1.728 54.385 56.100 0.023 0.000 1.021 238 R CB 1.226 31.541 30.300 0.026 0.000 1.163 238 R HN 0.104 nan 8.270 nan 0.000 0.494 239 P HA 0.013 nan 4.420 nan 0.000 0.275 239 P C -0.275 177.057 177.300 0.053 0.000 1.228 239 P CA -0.235 62.886 63.100 0.035 0.000 0.786 239 P CB 0.712 32.426 31.700 0.023 0.000 0.927 240 T N -1.246 113.354 114.554 0.077 0.000 4.320 240 T HA 0.100 4.450 4.350 0.001 0.000 0.221 240 T C 0.410 175.200 174.700 0.150 0.000 0.896 240 T CA -0.498 61.684 62.100 0.137 0.000 0.928 240 T CB -1.081 67.889 68.868 0.171 0.000 1.369 240 T HN 0.245 nan 8.240 nan 0.000 0.836 241 K N 2.623 123.065 120.400 0.071 0.000 2.111 241 K HA 0.110 4.431 4.320 0.001 0.000 0.249 241 K C 0.955 177.569 176.600 0.023 0.000 1.157 241 K CA -0.544 55.732 56.287 -0.018 0.000 1.048 241 K CB -0.027 32.466 32.500 -0.013 0.000 1.498 241 K HN 0.761 nan 8.250 nan 0.000 0.344 242 W N 1.835 123.182 121.300 0.080 0.000 3.139 242 W HA -0.056 4.605 4.660 0.001 0.000 0.260 242 W C 0.903 177.465 176.519 0.072 0.000 1.312 242 W CA -0.303 57.077 57.345 0.058 0.000 1.606 242 W CB -0.646 28.837 29.460 0.039 0.000 1.118 242 W HN 0.435 nan 8.180 nan 0.000 0.675 243 Y N 3.290 123.285 120.300 -0.508 0.000 2.114 243 Y HA -0.232 4.319 4.550 0.001 0.000 0.284 243 Y C 1.910 177.733 175.900 -0.127 0.000 1.143 243 Y CA 2.380 60.220 58.100 -0.432 0.000 1.135 243 Y CB -0.675 37.477 38.460 -0.514 0.000 0.980 243 Y HN -0.237 nan 8.280 nan 0.000 0.499 244 D N 0.045 120.431 120.400 -0.023 0.000 2.392 244 D HA -0.083 4.557 4.640 0.001 0.000 0.228 244 D C 1.726 177.985 176.300 -0.068 0.000 1.003 244 D CA 0.884 54.844 54.000 -0.066 0.000 0.917 244 D CB -0.022 40.799 40.800 0.034 0.000 0.890 244 D HN 0.442 nan 8.370 nan 0.000 0.532 245 L N -0.352 120.861 121.223 -0.017 0.000 2.556 245 L HA 0.117 4.457 4.340 0.001 0.000 0.226 245 L C 2.251 179.111 176.870 -0.018 0.000 1.089 245 L CA -0.040 54.804 54.840 0.006 0.000 0.864 245 L CB 0.291 42.388 42.059 0.063 0.000 1.067 245 L HN -0.022 nan 8.230 nan 0.000 0.477 246 L N 0.751 121.960 121.223 -0.024 0.000 1.997 246 L HA -0.225 4.115 4.340 0.001 0.000 0.216 246 L C -0.206 176.596 176.870 -0.114 0.000 1.074 246 L CA 2.078 56.884 54.840 -0.056 0.000 0.763 246 L CB -1.767 40.248 42.059 -0.073 0.000 0.890 246 L HN 0.249 nan 8.230 nan 0.000 0.434 247 P HA -0.120 nan 4.420 nan 0.000 0.216 247 P C 1.942 179.185 177.300 -0.095 0.000 1.153 247 P CA 1.058 64.084 63.100 -0.124 0.000 0.848 247 P CB 0.071 31.701 31.700 -0.117 0.000 0.787 248 V N -0.570 119.299 119.914 -0.075 0.000 2.343 248 V HA -0.184 3.936 4.120 0.001 0.000 0.247 248 V C 2.430 178.480 176.094 -0.072 0.000 1.051 248 V CA 1.681 63.945 62.300 -0.060 0.000 1.036 248 V CB -1.150 30.650 31.823 -0.038 0.000 0.654 248 V HN -0.024 nan 8.190 nan 0.000 0.451 249 V N -0.550 119.319 119.914 -0.075 0.000 2.358 249 V HA -0.300 3.820 4.120 0.001 0.000 0.246 249 V C 2.404 178.417 176.094 -0.134 0.000 1.047 249 V CA 2.173 64.421 62.300 -0.087 0.000 1.035 249 V CB -0.550 31.230 31.823 -0.070 0.000 0.658 249 V HN 0.592 nan 8.190 nan 0.000 0.452 250 Q N -0.561 119.144 119.800 -0.159 0.000 2.014 250 Q HA -0.298 4.042 4.340 0.001 0.000 0.207 250 Q C 2.298 178.147 176.000 -0.251 0.000 0.993 250 Q CA 2.522 58.183 55.803 -0.236 0.000 0.850 250 Q CB -0.271 28.326 28.738 -0.234 0.000 0.916 250 Q HN 0.517 nan 8.270 nan 0.000 0.417 251 L N 0.520 121.640 121.223 -0.171 0.000 1.970 251 L HA -0.176 4.164 4.340 0.001 0.000 0.212 251 L C 2.306 179.098 176.870 -0.132 0.000 1.071 251 L CA 2.399 57.159 54.840 -0.133 0.000 0.751 251 L CB -1.051 40.960 42.059 -0.079 0.000 0.889 251 L HN 0.311 nan 8.230 nan 0.000 0.432 252 A N -0.550 122.204 122.820 -0.109 0.000 1.903 252 A HA -0.250 4.071 4.320 0.001 0.000 0.219 252 A C 2.274 179.789 177.584 -0.114 0.000 1.191 252 A CA 2.451 54.433 52.037 -0.091 0.000 0.638 252 A CB -1.068 17.887 19.000 -0.074 0.000 0.823 252 A HN 0.535 nan 8.150 nan 0.000 0.451 253 L N -0.876 120.257 121.223 -0.150 0.000 2.072 253 L HA -0.145 4.195 4.340 0.001 0.000 0.205 253 L C 2.128 178.877 176.870 -0.202 0.000 1.079 253 L CA 1.195 55.936 54.840 -0.165 0.000 0.752 253 L CB -0.751 41.201 42.059 -0.178 0.000 0.906 253 L HN 0.340 nan 8.230 nan 0.000 0.436 254 N N 0.355 118.878 118.700 -0.295 0.000 2.364 254 N HA -0.148 4.593 4.740 0.001 0.000 0.183 254 N C 1.004 176.457 175.510 -0.095 0.000 1.022 254 N CA 0.954 53.804 53.050 -0.334 0.000 0.883 254 N CB -0.282 37.796 38.487 -0.681 0.000 0.965 254 N HN 0.373 nan 8.380 nan 0.000 0.438 255 N N -0.125 118.513 118.700 -0.103 0.000 2.273 255 N HA 0.065 4.806 4.740 0.001 0.000 0.231 255 N C -0.574 174.857 175.510 -0.131 0.000 1.134 255 N CA 0.160 53.153 53.050 -0.096 0.000 0.856 255 N CB 0.771 39.193 38.487 -0.108 0.000 1.068 255 N HN -0.002 nan 8.380 nan 0.000 0.510 256 T N 0.638 115.117 114.554 -0.124 0.000 2.794 256 T HA 0.289 4.639 4.350 0.001 0.000 0.280 256 T C -0.214 174.428 174.700 -0.096 0.000 0.987 256 T CA -0.300 61.748 62.100 -0.086 0.000 0.993 256 T CB 0.943 69.775 68.868 -0.060 0.000 0.939 256 T HN -0.007 nan 8.240 nan 0.000 0.449 257 Y N 1.865 122.149 120.300 -0.026 0.000 2.511 257 Y HA 0.194 4.745 4.550 0.001 0.000 0.332 257 Y C 1.275 177.157 175.900 -0.029 0.000 1.177 257 Y CA 0.256 58.342 58.100 -0.023 0.000 1.422 257 Y CB 0.637 39.064 38.460 -0.055 0.000 1.271 257 Y HN 0.499 nan 8.280 nan 0.000 0.550 258 S N 5.783 121.565 115.700 0.136 0.000 2.416 258 S HA 0.219 4.689 4.470 0.001 0.000 0.287 258 S C -1.667 172.977 174.600 0.074 0.000 1.139 258 S CA -1.613 56.635 58.200 0.079 0.000 1.058 258 S CB 0.566 63.807 63.200 0.068 0.000 0.967 258 S HN 0.431 nan 8.310 nan 0.000 0.495 259 P HA -0.134 nan 4.420 nan 0.000 0.217 259 P C 1.365 178.632 177.300 -0.055 0.000 1.148 259 P CA 0.624 63.706 63.100 -0.030 0.000 0.834 259 P CB 0.169 31.838 31.700 -0.052 0.000 0.783 260 V N -1.386 118.492 119.914 -0.060 0.000 2.788 260 V HA -0.065 4.055 4.120 0.001 0.000 0.251 260 V C 1.812 177.884 176.094 -0.037 0.000 1.068 260 V CA 1.310 63.537 62.300 -0.122 0.000 1.090 260 V CB -0.628 31.050 31.823 -0.242 0.000 0.710 260 V HN 0.002 nan 8.190 nan 0.000 0.467 261 L N -0.364 120.896 121.223 0.061 0.000 2.354 261 L HA 0.224 4.564 4.340 0.001 0.000 0.212 261 L C 1.131 178.095 176.870 0.157 0.000 1.091 261 L CA 0.263 55.217 54.840 0.190 0.000 0.828 261 L CB -0.198 42.015 42.059 0.258 0.000 0.973 261 L HN 0.187 nan 8.230 nan 0.000 0.461 262 K N -0.629 119.783 120.400 0.020 0.000 3.071 262 K HA -0.229 4.092 4.320 0.001 0.000 0.265 262 K C -1.269 175.126 176.600 -0.341 0.000 1.060 262 K CA 0.923 57.116 56.287 -0.157 0.000 0.767 262 K CB -2.652 29.640 32.500 -0.347 0.000 1.241 262 K HN 0.303 nan 8.250 nan 0.000 0.486 263 Y N -0.623 119.850 120.300 0.287 0.000 2.544 263 Y HA 0.268 4.818 4.550 0.001 0.000 0.342 263 Y C 0.845 176.692 175.900 -0.089 0.000 1.062 263 Y CA -0.645 57.532 58.100 0.129 0.000 1.023 263 Y CB 1.679 40.188 38.460 0.082 0.000 1.308 263 Y HN 0.150 nan 8.280 nan 0.000 0.457 264 T N -1.294 113.145 114.554 -0.192 0.000 2.882 264 T HA 0.281 4.631 4.350 0.001 0.000 0.287 264 T C -2.258 172.453 174.700 0.018 0.000 1.014 264 T CA -1.997 59.988 62.100 -0.190 0.000 1.049 264 T CB 1.627 70.321 68.868 -0.291 0.000 1.001 264 T HN 0.313 nan 8.240 nan 0.000 0.525 265 P HA -0.091 nan 4.420 nan 0.000 0.218 265 P C 1.261 178.680 177.300 0.198 0.000 1.149 265 P CA 1.200 64.348 63.100 0.080 0.000 0.817 265 P CB -0.151 31.557 31.700 0.013 0.000 0.785 266 H N 0.187 119.375 119.070 0.197 0.000 2.290 266 H HA -0.166 4.390 4.556 0.000 0.000 0.298 266 H C 2.010 177.454 175.328 0.193 0.000 1.087 266 H CA 2.022 58.261 56.048 0.319 0.000 1.291 266 H CB -0.425 29.527 29.762 0.317 0.000 1.369 266 H HN 0.058 nan 8.280 nan 0.000 0.492 267 Q N 0.103 120.044 119.800 0.234 0.000 2.096 267 Q HA -0.140 4.200 4.340 0.001 0.000 0.204 267 Q C 2.554 178.549 176.000 -0.008 0.000 0.982 267 Q CA 1.814 57.707 55.803 0.149 0.000 0.850 267 Q CB -0.104 28.765 28.738 0.218 0.000 0.901 267 Q HN 0.516 nan 8.270 nan 0.000 0.422 268 L N -0.056 121.143 121.223 -0.041 0.000 2.187 268 L HA -0.190 4.150 4.340 0.001 0.000 0.213 268 L C 2.213 178.949 176.870 -0.224 0.000 1.100 268 L CA 0.433 55.195 54.840 -0.129 0.000 0.765 268 L CB -0.362 41.645 42.059 -0.087 0.000 0.904 268 L HN 0.267 nan 8.230 nan 0.000 0.437 269 L N -1.157 119.849 121.223 -0.361 0.000 2.162 269 L HA -0.026 4.315 4.340 0.001 0.000 0.205 269 L C 1.643 178.054 176.870 -0.765 0.000 1.086 269 L CA 1.856 56.260 54.840 -0.727 0.000 0.778 269 L CB -0.135 41.141 42.059 -1.305 0.000 0.928 269 L HN 0.064 nan 8.230 nan 0.000 0.446 270 F N -1.744 118.030 119.950 -0.295 0.000 2.784 270 F HA 0.395 4.922 4.527 0.000 0.000 0.323 270 F C 1.794 177.523 175.800 -0.119 0.000 1.085 270 F CA 0.280 58.142 58.000 -0.230 0.000 1.196 270 F CB 0.093 38.880 39.000 -0.355 0.000 1.053 270 F HN 0.041 nan 8.300 nan 0.000 0.578 271 G N 2.041 110.875 108.800 0.056 0.000 2.196 271 G HA2 -0.349 3.612 3.960 0.001 0.000 0.268 271 G HA3 -0.349 3.612 3.960 0.001 0.000 0.268 271 G C 0.094 175.066 174.900 0.120 0.000 0.975 271 G CA 0.774 45.913 45.100 0.066 0.000 0.648 271 G HN 0.433 nan 8.290 nan 0.000 0.538 272 I N -0.061 120.610 120.570 0.168 0.000 2.692 272 I HA 0.382 4.552 4.170 0.001 0.000 0.293 272 I C -1.183 175.123 176.117 0.315 0.000 1.200 272 I CA -1.077 60.334 61.300 0.185 0.000 1.036 272 I CB 1.498 39.570 38.000 0.120 0.000 1.258 272 I HN -0.091 nan 8.210 nan 0.000 0.421 273 D N 4.499 125.057 120.400 0.265 0.000 2.400 273 D HA 0.196 4.836 4.640 0.001 0.000 0.238 273 D C 0.197 176.552 176.300 0.092 0.000 1.157 273 D CA 0.385 54.488 54.000 0.173 0.000 0.889 273 D CB 1.223 42.060 40.800 0.062 0.000 1.199 273 D HN 0.584 nan 8.370 nan 0.000 0.436 274 S N 1.171 116.799 115.700 -0.121 0.000 2.647 274 S HA 0.169 4.639 4.470 0.001 0.000 0.284 274 S C 0.471 175.020 174.600 -0.085 0.000 1.134 274 S CA -0.748 57.402 58.200 -0.082 0.000 1.027 274 S CB 0.422 63.560 63.200 -0.104 0.000 1.180 274 S HN 0.328 nan 8.310 nan 0.000 0.521 275 N N 1.895 120.555 118.700 -0.065 0.000 3.193 275 N HA 0.184 4.925 4.740 0.001 0.000 0.312 275 N C -0.366 175.111 175.510 -0.055 0.000 1.261 275 N CA 0.020 53.040 53.050 -0.050 0.000 1.208 275 N CB -1.041 37.424 38.487 -0.037 0.000 1.471 275 N HN 0.739 nan 8.380 nan 0.000 0.548 276 T N -1.543 112.973 114.554 -0.063 0.000 2.930 276 T HA 0.624 4.974 4.350 0.001 0.000 0.290 276 T C -2.705 171.991 174.700 -0.007 0.000 1.052 276 T CA -2.101 59.972 62.100 -0.045 0.000 1.017 276 T CB 1.372 70.194 68.868 -0.077 0.000 1.137 276 T HN -0.037 nan 8.240 nan 0.000 0.511 277 P HA 0.304 nan 4.420 nan 0.000 0.267 277 P C -0.254 177.180 177.300 0.223 0.000 1.200 277 P CA -0.040 63.102 63.100 0.070 0.000 0.772 277 P CB -0.282 31.538 31.700 0.200 0.000 0.855 278 F N -1.753 118.200 119.950 0.005 0.000 3.091 278 F HA -0.242 4.286 4.527 0.000 0.000 0.288 278 F C 0.865 176.689 175.800 0.039 0.000 0.907 278 F CA 0.372 58.387 58.000 0.025 0.000 1.028 278 F CB -2.152 36.870 39.000 0.038 0.000 1.022 278 F HN 0.298 nan 8.300 nan 0.000 0.665 279 A N 0.987 123.867 122.820 0.100 0.000 2.520 279 A HA 0.211 4.532 4.320 0.001 0.000 0.245 279 A C 0.770 178.417 177.584 0.105 0.000 1.072 279 A CA -0.060 52.025 52.037 0.080 0.000 0.761 279 A CB 0.159 19.172 19.000 0.022 0.000 1.004 279 A HN 0.450 nan 8.150 nan 0.000 0.499 280 N N 2.083 120.866 118.700 0.139 0.000 2.483 280 N HA 0.013 4.754 4.740 0.001 0.000 0.264 280 N C 0.332 175.905 175.510 0.105 0.000 1.197 280 N CA 0.375 53.512 53.050 0.146 0.000 0.927 280 N CB 0.730 39.336 38.487 0.198 0.000 1.065 280 N HN 0.750 nan 8.380 nan 0.000 0.461 281 Q N 1.459 121.310 119.800 0.084 0.000 2.217 281 Q HA 0.058 4.398 4.340 0.001 0.000 0.217 281 Q C 0.104 176.141 176.000 0.062 0.000 0.844 281 Q CA -0.280 55.560 55.803 0.063 0.000 0.957 281 Q CB 0.548 29.310 28.738 0.041 0.000 1.127 281 Q HN 0.608 nan 8.270 nan 0.000 0.503 282 D N 0.459 120.903 120.400 0.073 0.000 2.239 282 D HA -0.156 4.484 4.640 0.001 0.000 0.202 282 D C 1.459 177.798 176.300 0.065 0.000 0.993 282 D CA 1.779 55.820 54.000 0.068 0.000 0.874 282 D CB -0.138 40.710 40.800 0.079 0.000 0.922 282 D HN 0.319 nan 8.370 nan 0.000 0.464 283 T N -2.190 112.406 114.554 0.071 0.000 3.243 283 T HA 0.204 4.554 4.350 0.001 0.000 0.264 283 T C 1.529 176.258 174.700 0.049 0.000 1.000 283 T CA -0.415 61.722 62.100 0.062 0.000 0.901 283 T CB -0.130 68.781 68.868 0.071 0.000 1.083 283 T HN -0.109 nan 8.240 nan 0.000 0.559 284 L N 1.662 122.911 121.223 0.044 0.000 2.042 284 L HA -0.044 4.297 4.340 0.001 0.000 0.210 284 L C 1.854 178.741 176.870 0.028 0.000 1.076 284 L CA 1.889 56.750 54.840 0.034 0.000 0.749 284 L CB -0.291 41.785 42.059 0.028 0.000 0.893 284 L HN 0.266 nan 8.230 nan 0.000 0.432 285 D N -0.904 119.512 120.400 0.028 0.000 2.348 285 D HA 0.092 4.733 4.640 0.001 0.000 0.211 285 D C 0.705 177.019 176.300 0.023 0.000 0.998 285 D CA 0.242 54.256 54.000 0.023 0.000 0.873 285 D CB 0.160 40.973 40.800 0.021 0.000 0.925 285 D HN 0.259 nan 8.370 nan 0.000 0.524 286 L N 1.147 122.387 121.223 0.028 0.000 2.418 286 L HA 0.197 4.538 4.340 0.001 0.000 0.265 286 L C 1.318 178.203 176.870 0.025 0.000 1.143 286 L CA -0.531 54.325 54.840 0.027 0.000 0.809 286 L CB 0.602 42.680 42.059 0.032 0.000 1.124 286 L HN -0.096 nan 8.230 nan 0.000 0.456 287 T N -1.594 112.973 114.554 0.022 0.000 2.766 287 T HA 0.087 4.438 4.350 0.001 0.000 0.295 287 T C 1.030 175.744 174.700 0.023 0.000 1.024 287 T CA -0.495 61.617 62.100 0.020 0.000 1.018 287 T CB 1.195 70.073 68.868 0.017 0.000 1.002 287 T HN 0.635 nan 8.240 nan 0.000 0.532 288 R N 0.586 121.099 120.500 0.023 0.000 2.091 288 R HA -0.114 4.227 4.340 0.001 0.000 0.238 288 R C 2.268 178.583 176.300 0.025 0.000 1.136 288 R CA 2.216 58.332 56.100 0.027 0.000 0.959 288 R CB -1.075 29.240 30.300 0.025 0.000 0.856 288 R HN 0.930 nan 8.270 nan 0.000 0.437 289 E N -0.030 120.182 120.200 0.020 0.000 2.077 289 E HA -0.190 4.161 4.350 0.001 0.000 0.193 289 E C 1.666 178.277 176.600 0.018 0.000 0.989 289 E CA 1.475 57.886 56.400 0.017 0.000 0.800 289 E CB 0.029 29.737 29.700 0.014 0.000 0.746 289 E HN 0.536 nan 8.360 nan 0.000 0.452 290 E N 0.399 120.611 120.200 0.019 0.000 2.077 290 E HA -0.227 4.123 4.350 0.001 0.000 0.193 290 E C 2.063 178.677 176.600 0.025 0.000 0.989 290 E CA 0.929 57.342 56.400 0.021 0.000 0.800 290 E CB -0.089 29.624 29.700 0.022 0.000 0.746 290 E HN 0.297 nan 8.360 nan 0.000 0.452 291 E N 0.915 121.133 120.200 0.029 0.000 2.038 291 E HA -0.198 4.153 4.350 0.001 0.000 0.195 291 E C 2.171 178.787 176.600 0.027 0.000 1.000 291 E CA 0.943 57.364 56.400 0.035 0.000 0.803 291 E CB -0.052 29.674 29.700 0.043 0.000 0.750 291 E HN 0.197 nan 8.360 nan 0.000 0.448 292 L N 0.298 121.536 121.223 0.024 0.000 2.187 292 L HA -0.189 4.152 4.340 0.001 0.000 0.213 292 L C 2.653 179.527 176.870 0.005 0.000 1.100 292 L CA 0.942 55.791 54.840 0.015 0.000 0.765 292 L CB -0.383 41.686 42.059 0.018 0.000 0.904 292 L HN 0.170 nan 8.230 nan 0.000 0.437 293 S N 0.173 115.878 115.700 0.009 0.000 2.371 293 S HA -0.136 4.334 4.470 0.001 0.000 0.224 293 S C 1.874 176.476 174.600 0.003 0.000 1.029 293 S CA 0.782 58.985 58.200 0.005 0.000 0.978 293 S CB -0.078 63.127 63.200 0.009 0.000 0.833 293 S HN 0.315 nan 8.310 nan 0.000 0.466 294 L N 1.370 122.599 121.223 0.010 0.000 2.156 294 L HA 0.200 4.540 4.340 0.001 0.000 0.208 294 L C 2.035 178.899 176.870 -0.010 0.000 1.095 294 L CA 1.340 56.187 54.840 0.012 0.000 0.770 294 L CB -0.625 41.452 42.059 0.030 0.000 0.914 294 L HN 0.458 nan 8.230 nan 0.000 0.439 295 L N -0.755 120.457 121.223 -0.018 0.000 2.093 295 L HA -0.179 4.162 4.340 0.001 0.000 0.208 295 L C 2.390 179.220 176.870 -0.066 0.000 1.085 295 L CA 1.619 56.427 54.840 -0.054 0.000 0.755 295 L CB -0.520 41.515 42.059 -0.039 0.000 0.904 295 L HN 0.373 nan 8.230 nan 0.000 0.435 296 Q N -0.656 119.120 119.800 -0.040 0.000 2.124 296 Q HA -0.262 4.078 4.340 0.001 0.000 0.202 296 Q C 2.085 178.062 176.000 -0.038 0.000 0.977 296 Q CA 1.734 57.514 55.803 -0.037 0.000 0.850 296 Q CB -0.133 28.592 28.738 -0.022 0.000 0.901 296 Q HN 0.570 nan 8.270 nan 0.000 0.429 297 E N 1.039 121.221 120.200 -0.030 0.000 2.072 297 E HA -0.124 4.226 4.350 0.001 0.000 0.190 297 E C 1.623 178.201 176.600 -0.036 0.000 0.982 297 E CA 0.928 57.316 56.400 -0.021 0.000 0.803 297 E CB -0.188 29.510 29.700 -0.003 0.000 0.755 297 E HN 0.335 nan 8.360 nan 0.000 0.453 298 I N 0.315 120.841 120.570 -0.075 0.000 2.226 298 I HA -0.268 3.902 4.170 0.001 0.000 0.245 298 I C 2.486 178.513 176.117 -0.149 0.000 1.100 298 I CA 1.276 62.486 61.300 -0.151 0.000 1.374 298 I CB -0.156 37.640 38.000 -0.340 0.000 1.057 298 I HN 0.079 nan 8.210 nan 0.000 0.413 299 R N -0.068 120.356 120.500 -0.127 0.000 2.115 299 R HA -0.140 4.201 4.340 0.001 0.000 0.230 299 R C 2.357 178.625 176.300 -0.054 0.000 1.111 299 R CA 1.957 57.998 56.100 -0.098 0.000 0.976 299 R CB -0.528 29.720 30.300 -0.087 0.000 0.870 299 R HN 0.523 nan 8.270 nan 0.000 0.445 300 T N -1.908 112.621 114.554 -0.041 0.000 2.978 300 T HA -0.052 4.299 4.350 0.001 0.000 0.262 300 T C 1.722 176.416 174.700 -0.010 0.000 1.063 300 T CA 0.979 63.063 62.100 -0.026 0.000 1.140 300 T CB -0.052 68.802 68.868 -0.023 0.000 0.886 300 T HN 0.190 nan 8.240 nan 0.000 0.470 301 S N 1.183 116.885 115.700 0.003 0.000 2.679 301 S HA 0.387 4.857 4.470 0.001 0.000 0.233 301 S C 0.441 175.083 174.600 0.070 0.000 0.951 301 S CA -0.761 57.459 58.200 0.033 0.000 0.973 301 S CB -1.017 62.208 63.200 0.043 0.000 0.778 301 S HN 0.483 nan 8.310 nan 0.000 0.477 302 L N 1.888 123.149 121.223 0.064 0.000 2.452 302 L HA 0.284 4.624 4.340 0.001 0.000 0.267 302 L C 0.613 177.581 176.870 0.164 0.000 1.188 302 L CA -0.943 53.974 54.840 0.128 0.000 0.821 302 L CB 0.195 42.318 42.059 0.106 0.000 1.102 302 L HN 0.385 nan 8.230 nan 0.000 0.470 303 Y N 2.981 123.338 120.300 0.095 0.000 2.717 303 Y HA -0.055 4.495 4.550 0.001 0.000 0.330 303 Y C -0.068 175.909 175.900 0.129 0.000 1.217 303 Y CA 0.324 58.478 58.100 0.091 0.000 1.506 303 Y CB -0.046 38.452 38.460 0.064 0.000 1.268 303 Y HN 0.387 nan 8.280 nan 0.000 0.561 304 H N 8.741 127.361 119.070 -0.750 0.000 2.589 304 H HA 0.332 4.889 4.556 0.001 0.000 0.335 304 H C -2.468 172.347 175.328 -0.855 0.000 1.019 304 H CA -2.327 53.348 56.048 -0.622 0.000 1.213 304 H CB 1.699 31.299 29.762 -0.270 0.000 1.472 304 H HN 0.611 nan 8.280 nan 0.000 0.508 305 P HA -0.018 nan 4.420 nan 0.000 0.269 305 P C -0.598 176.434 177.300 -0.446 0.000 1.217 305 P CA -0.214 62.542 63.100 -0.573 0.000 0.783 305 P CB 0.934 32.463 31.700 -0.284 0.000 0.898 306 S N -0.589 114.995 115.700 -0.193 0.000 2.549 306 S HA 0.291 4.762 4.470 0.001 0.000 0.297 306 S C 0.111 174.674 174.600 -0.061 0.000 1.115 306 S CA -0.743 57.400 58.200 -0.096 0.000 1.059 306 S CB 0.907 64.082 63.200 -0.042 0.000 1.046 306 S HN 0.547 nan 8.310 nan 0.000 0.506 307 T N 4.152 118.686 114.554 -0.035 0.000 2.867 307 T HA 0.170 4.520 4.350 0.001 0.000 0.290 307 T C -1.948 172.744 174.700 -0.013 0.000 1.025 307 T CA -0.548 61.540 62.100 -0.020 0.000 1.146 307 T CB -0.508 68.357 68.868 -0.006 0.000 1.024 307 T HN 0.644 nan 8.240 nan 0.000 0.519 308 P HA 0.396 nan 4.420 nan 0.000 0.276 308 P C -2.719 174.581 177.300 -0.001 0.000 1.261 308 P CA -1.755 61.343 63.100 -0.003 0.000 0.800 308 P CB -0.566 31.133 31.700 -0.002 0.000 1.066 309 P HA 0.158 nan 4.420 nan 0.000 0.267 309 P C -0.260 177.042 177.300 0.003 0.000 1.205 309 P CA -0.084 63.018 63.100 0.003 0.000 0.765 309 P CB -0.042 31.662 31.700 0.006 0.000 0.828 310 A N 3.393 126.213 122.820 0.001 0.000 2.587 310 A HA 0.287 4.607 4.320 0.001 0.000 0.233 310 A C 0.935 178.525 177.584 0.010 0.000 1.049 310 A CA 0.196 52.234 52.037 0.001 0.000 0.754 310 A CB -0.579 18.421 19.000 -0.001 0.000 0.977 310 A HN 0.664 nan 8.150 nan 0.000 0.509 311 S N 1.436 117.146 115.700 0.015 0.000 2.603 311 S HA 0.269 4.740 4.470 0.001 0.000 0.268 311 S C 1.289 175.905 174.600 0.028 0.000 1.317 311 S CA 0.057 58.271 58.200 0.023 0.000 1.012 311 S CB 1.009 64.228 63.200 0.031 0.000 0.926 311 S HN 1.714 nan 8.310 nan 0.000 0.539 312 S N 1.538 117.255 115.700 0.028 0.000 2.469 312 S HA -0.030 4.440 4.470 0.001 0.000 0.238 312 S C 0.865 175.486 174.600 0.036 0.000 0.998 312 S CA 0.379 58.596 58.200 0.028 0.000 0.957 312 S CB -0.505 62.709 63.200 0.024 0.000 0.764 312 S HN 0.786 nan 8.310 nan 0.000 0.514 313 R N 1.946 122.473 120.500 0.045 0.000 2.835 313 R HA 0.319 4.659 4.340 0.001 0.000 0.290 313 R C -0.598 175.757 176.300 0.091 0.000 1.410 313 R CA -0.057 56.079 56.100 0.059 0.000 1.590 313 R CB 1.135 31.465 30.300 0.049 0.000 1.288 313 R HN 0.514 nan 8.270 nan 0.000 0.637 314 S N 0.050 115.805 115.700 0.092 0.000 2.722 314 S HA 0.590 5.060 4.470 0.001 0.000 0.292 314 S C -0.325 174.394 174.600 0.199 0.000 1.135 314 S CA -0.849 57.424 58.200 0.122 0.000 1.003 314 S CB 1.370 64.590 63.200 0.034 0.000 1.067 314 S HN 0.477 nan 8.310 nan 0.000 0.546 315 W N -0.167 121.131 121.300 -0.002 0.000 2.785 315 W HA 0.725 5.386 4.660 0.000 0.000 0.333 315 W C -1.480 175.038 176.519 -0.001 0.000 1.062 315 W CA -1.064 56.276 57.345 -0.009 0.000 1.233 315 W CB 0.633 30.079 29.460 -0.023 0.000 1.413 315 W HN 0.548 nan 8.180 nan 0.000 0.489 316 S N 4.285 119.974 115.700 -0.018 0.000 2.549 316 S HA 0.561 5.031 4.470 0.001 0.000 0.297 316 S C -2.229 172.384 174.600 0.022 0.000 1.115 316 S CA -1.043 57.040 58.200 -0.195 0.000 1.059 316 S CB 1.759 64.893 63.200 -0.109 0.000 1.046 316 S HN 0.257 nan 8.310 nan 0.000 0.506 317 P HA 0.302 nan 4.420 nan 0.000 0.275 317 P C -1.147 176.224 177.300 0.118 0.000 1.227 317 P CA -0.266 62.933 63.100 0.165 0.000 0.781 317 P CB 0.671 32.403 31.700 0.054 0.000 0.906 318 V N 4.127 124.131 119.914 0.150 0.000 2.540 318 V HA 0.122 4.242 4.120 0.001 0.000 0.302 318 V C 0.271 176.413 176.094 0.081 0.000 1.035 318 V CA -0.985 61.370 62.300 0.092 0.000 0.873 318 V CB 2.394 34.267 31.823 0.085 0.000 0.992 318 V HN 0.308 nan 8.190 nan 0.000 0.428 319 V N 5.165 125.115 119.914 0.060 0.000 2.644 319 V HA 0.308 4.428 4.120 0.001 0.000 0.305 319 V C 1.555 177.680 176.094 0.052 0.000 1.053 319 V CA 1.780 64.113 62.300 0.055 0.000 1.186 319 V CB 0.123 31.971 31.823 0.043 0.000 0.895 319 V HN 1.374 nan 8.190 nan 0.000 0.490 320 G N 2.953 111.786 108.800 0.056 0.000 2.199 320 G HA2 -0.301 3.659 3.960 0.001 0.000 0.254 320 G HA3 -0.301 3.659 3.960 0.001 0.000 0.254 320 G C 0.346 175.274 174.900 0.046 0.000 0.982 320 G CA 0.450 45.581 45.100 0.052 0.000 0.632 320 G HN 0.863 nan 8.290 nan 0.000 0.529 321 Q N 0.247 120.076 119.800 0.048 0.000 2.349 321 Q HA 0.426 4.767 4.340 0.001 0.000 0.287 321 Q C 0.494 176.496 176.000 0.003 0.000 1.044 321 Q CA -0.089 55.731 55.803 0.028 0.000 0.918 321 Q CB 0.207 28.981 28.738 0.059 0.000 1.242 321 Q HN 0.421 nan 8.270 nan 0.000 0.405 322 L N 5.496 126.694 121.223 -0.041 0.000 2.278 322 L HA 0.338 4.678 4.340 0.001 0.000 0.287 322 L C -0.364 176.423 176.870 -0.139 0.000 1.072 322 L CA -0.513 54.279 54.840 -0.080 0.000 0.819 322 L CB 0.652 42.661 42.059 -0.083 0.000 1.176 322 L HN 0.551 nan 8.230 nan 0.000 0.435 323 V N 1.592 121.429 119.914 -0.128 0.000 3.130 323 V HA 0.617 4.737 4.120 0.001 0.000 0.310 323 V C -0.999 175.024 176.094 -0.119 0.000 1.158 323 V CA -0.881 61.321 62.300 -0.163 0.000 1.029 323 V CB 2.227 34.020 31.823 -0.050 0.000 1.057 323 V HN 0.764 nan 8.190 nan 0.000 0.436 324 Q N 0.853 120.577 119.800 -0.126 0.000 2.337 324 Q HA 0.505 4.846 4.340 0.001 0.000 0.270 324 Q C -1.001 175.160 176.000 0.268 0.000 1.043 324 Q CA -0.468 55.351 55.803 0.027 0.000 0.794 324 Q CB 3.045 31.763 28.738 -0.034 0.000 1.281 324 Q HN 0.897 nan 8.270 nan 0.000 0.446 325 E N 1.957 122.366 120.200 0.349 0.000 2.354 325 E HA 0.137 4.487 4.350 0.001 0.000 0.269 325 E C -0.570 176.333 176.600 0.507 0.000 1.036 325 E CA -0.524 56.133 56.400 0.428 0.000 0.876 325 E CB 0.885 30.783 29.700 0.329 0.000 1.009 325 E HN 0.385 nan 8.360 nan 0.000 0.416 326 R N 2.972 123.627 120.500 0.259 0.000 2.442 326 R HA 0.097 4.437 4.340 0.001 0.000 0.291 326 R C -0.975 175.146 176.300 -0.299 0.000 1.069 326 R CA -0.444 55.439 56.100 -0.363 0.000 1.022 326 R CB 0.566 30.530 30.300 -0.559 0.000 0.976 326 R HN 0.284 nan 8.270 nan 0.000 0.443 327 V N 5.837 125.423 119.914 -0.545 0.000 2.540 327 V HA 0.010 4.131 4.120 0.001 0.000 0.297 327 V C 1.444 177.305 176.094 -0.389 0.000 1.024 327 V CA 0.744 62.717 62.300 -0.545 0.000 1.105 327 V CB 0.410 31.904 31.823 -0.550 0.000 0.938 327 V HN 1.095 nan 8.190 nan 0.000 0.482 328 A N 5.221 127.847 122.820 -0.324 0.000 1.825 328 A HA 0.106 4.426 4.320 0.001 0.000 0.214 328 A C 1.743 179.076 177.584 -0.418 0.000 1.206 328 A CA 1.634 53.351 52.037 -0.533 0.000 0.609 328 A CB -0.294 18.239 19.000 -0.779 0.000 0.851 328 A HN 1.037 nan 8.150 nan 0.000 0.445 329 R N 1.170 121.504 120.500 -0.277 0.000 2.664 329 R HA 0.543 4.883 4.340 0.001 0.000 0.281 329 R C -2.822 173.391 176.300 -0.144 0.000 1.383 329 R CA -1.459 54.530 56.100 -0.184 0.000 1.563 329 R CB -1.028 29.203 30.300 -0.115 0.000 1.131 329 R HN 0.582 nan 8.270 nan 0.000 0.599 330 P HA 0.400 nan 4.420 nan 0.000 0.276 330 P C -0.025 177.214 177.300 -0.102 0.000 1.235 330 P CA -0.221 62.790 63.100 -0.148 0.000 0.772 330 P CB 1.602 33.190 31.700 -0.187 0.000 0.871 331 A N 3.201 125.975 122.820 -0.077 0.000 2.492 331 A HA 0.140 4.460 4.320 0.001 0.000 0.236 331 A C 0.824 178.375 177.584 -0.054 0.000 1.078 331 A CA -0.075 51.929 52.037 -0.054 0.000 0.773 331 A CB -0.380 18.596 19.000 -0.040 0.000 1.023 331 A HN 0.561 nan 8.150 nan 0.000 0.504 332 S N -0.219 115.457 115.700 -0.042 0.000 2.546 332 S HA 0.228 4.698 4.470 0.001 0.000 0.290 332 S C 0.857 175.436 174.600 -0.035 0.000 1.290 332 S CA 0.541 58.719 58.200 -0.037 0.000 1.069 332 S CB -0.877 62.307 63.200 -0.028 0.000 0.846 332 S HN 1.135 nan 8.310 nan 0.000 0.495 333 L N 1.987 123.188 121.223 -0.035 0.000 4.179 333 L HA -0.226 4.115 4.340 0.001 0.000 0.418 333 L C 0.282 177.130 176.870 -0.036 0.000 1.168 333 L CA 0.514 55.334 54.840 -0.032 0.000 0.972 333 L CB -1.380 40.664 42.059 -0.025 0.000 2.005 333 L HN 0.547 nan 8.230 nan 0.000 0.935 334 R N -0.175 120.297 120.500 -0.046 0.000 2.732 334 R HA 0.610 4.951 4.340 0.001 0.000 0.278 334 R C -2.130 174.133 176.300 -0.063 0.000 0.976 334 R CA -2.194 53.877 56.100 -0.049 0.000 0.963 334 R CB 0.411 30.681 30.300 -0.051 0.000 1.150 334 R HN -0.248 nan 8.270 nan 0.000 0.478 335 P HA 0.048 nan 4.420 nan 0.000 0.266 335 P C 0.364 177.591 177.300 -0.121 0.000 1.186 335 P CA 0.062 63.135 63.100 -0.044 0.000 0.767 335 P CB 0.603 32.296 31.700 -0.012 0.000 0.820 336 R N 0.709 121.121 120.500 -0.147 0.000 2.312 336 R HA 0.201 4.541 4.340 0.001 0.000 0.205 336 R C -0.439 175.462 176.300 -0.664 0.000 0.904 336 R CA 0.216 56.078 56.100 -0.396 0.000 1.052 336 R CB -0.077 29.973 30.300 -0.416 0.000 1.014 336 R HN 0.549 nan 8.270 nan 0.000 0.503 337 W N -0.379 120.833 121.300 -0.146 0.000 2.761 337 W HA 0.392 5.053 4.660 0.001 0.000 0.340 337 W C 0.398 176.816 176.519 -0.169 0.000 1.072 337 W CA -0.863 56.396 57.345 -0.143 0.000 1.215 337 W CB 0.766 30.184 29.460 -0.069 0.000 1.420 337 W HN -0.059 nan 8.180 nan 0.000 0.519 338 H N 1.266 120.478 119.070 0.237 0.000 2.597 338 H HA 0.233 4.789 4.556 0.001 0.000 0.370 338 H C 0.207 175.598 175.328 0.104 0.000 1.281 338 H CA -0.183 55.941 56.048 0.127 0.000 1.422 338 H CB 0.780 30.600 29.762 0.097 0.000 1.524 338 H HN 0.169 nan 8.280 nan 0.000 0.607 339 K N 1.376 121.901 120.400 0.209 0.000 2.344 339 K HA 0.059 4.379 4.320 0.001 0.000 0.260 339 K C -2.171 174.442 176.600 0.021 0.000 0.988 339 K CA -1.044 55.296 56.287 0.089 0.000 0.909 339 K CB -0.362 32.179 32.500 0.069 0.000 0.968 339 K HN 0.348 nan 8.250 nan 0.000 0.505 340 P HA -0.029 nan 4.420 nan 0.000 0.269 340 P C -0.916 176.188 177.300 -0.327 0.000 1.215 340 P CA 0.088 63.100 63.100 -0.145 0.000 0.780 340 P CB 0.891 32.509 31.700 -0.137 0.000 0.898 341 S N -0.079 115.420 115.700 -0.335 0.000 2.720 341 S HA 0.740 5.210 4.470 0.001 0.000 0.287 341 S C -0.932 173.523 174.600 -0.241 0.000 1.168 341 S CA -0.690 57.206 58.200 -0.505 0.000 0.832 341 S CB 1.159 64.240 63.200 -0.199 0.000 1.166 341 S HN 0.271 nan 8.310 nan 0.000 0.493 342 T N 1.227 115.753 114.554 -0.046 0.000 2.829 342 T HA 0.537 4.888 4.350 0.001 0.000 0.280 342 T C -0.530 174.221 174.700 0.084 0.000 0.999 342 T CA -0.568 61.579 62.100 0.078 0.000 0.983 342 T CB 1.453 70.450 68.868 0.214 0.000 0.968 342 T HN 0.568 nan 8.240 nan 0.000 0.446 343 V N 4.964 124.923 119.914 0.075 0.000 2.415 343 V HA 0.100 4.220 4.120 0.001 0.000 0.267 343 V C 1.369 177.508 176.094 0.074 0.000 1.042 343 V CA 0.163 62.513 62.300 0.083 0.000 1.000 343 V CB -0.226 31.654 31.823 0.096 0.000 1.015 343 V HN 0.822 nan 8.190 nan 0.000 0.478 344 L N 3.485 124.750 121.223 0.070 0.000 2.007 344 L HA 0.120 4.460 4.340 0.001 0.000 0.205 344 L C 1.245 178.145 176.870 0.050 0.000 1.073 344 L CA 1.326 56.201 54.840 0.059 0.000 0.744 344 L CB 0.005 42.097 42.059 0.055 0.000 0.898 344 L HN 0.528 nan 8.230 nan 0.000 0.435 345 K N -0.349 120.081 120.400 0.050 0.000 2.501 345 K HA 0.345 4.666 4.320 0.001 0.000 0.252 345 K C -1.453 175.173 176.600 0.042 0.000 0.934 345 K CA -0.528 55.784 56.287 0.042 0.000 0.797 345 K CB 2.493 35.015 32.500 0.037 0.000 1.270 345 K HN -0.291 nan 8.250 nan 0.000 0.431 346 V N 6.886 126.821 119.914 0.035 0.000 2.322 346 V HA 0.094 4.214 4.120 0.001 0.000 0.258 346 V C 1.419 177.525 176.094 0.021 0.000 1.074 346 V CA -0.184 62.132 62.300 0.026 0.000 0.909 346 V CB 0.519 32.354 31.823 0.021 0.000 1.090 346 V HN 0.841 nan 8.190 nan 0.000 0.486 347 L N 3.568 124.805 121.223 0.024 0.000 2.093 347 L HA -0.030 4.311 4.340 0.001 0.000 0.208 347 L C 0.920 177.802 176.870 0.018 0.000 1.085 347 L CA 1.181 56.036 54.840 0.025 0.000 0.755 347 L CB -0.224 41.856 42.059 0.035 0.000 0.904 347 L HN 0.946 nan 8.230 nan 0.000 0.435 348 N N -4.205 114.499 118.700 0.007 0.000 3.227 348 N HA 0.174 4.914 4.740 0.001 0.000 0.241 348 N C -2.627 172.868 175.510 -0.026 0.000 1.480 348 N CA -1.367 51.681 53.050 -0.002 0.000 0.886 348 N CB 0.380 38.873 38.487 0.009 0.000 1.406 348 N HN -0.407 nan 8.380 nan 0.000 0.514 349 P HA 0.010 nan 4.420 nan 0.000 0.228 349 P C 0.197 177.423 177.300 -0.123 0.000 1.151 349 P CA 0.969 64.024 63.100 -0.075 0.000 0.770 349 P CB 0.191 31.852 31.700 -0.064 0.000 0.786 350 R N -1.906 118.540 120.500 -0.090 0.000 2.535 350 R HA 0.260 4.600 4.340 0.001 0.000 0.323 350 R C -0.154 176.089 176.300 -0.096 0.000 0.979 350 R CA 0.400 56.432 56.100 -0.113 0.000 1.120 350 R CB 0.609 30.869 30.300 -0.067 0.000 1.306 350 R HN 0.130 nan 8.270 nan 0.000 0.540 351 T N 0.928 115.448 114.554 -0.057 0.000 2.971 351 T HA 0.422 4.773 4.350 0.001 0.000 0.304 351 T C -0.415 174.285 174.700 -0.001 0.000 1.038 351 T CA -0.685 61.400 62.100 -0.025 0.000 1.007 351 T CB 2.475 71.348 68.868 0.009 0.000 1.055 351 T HN 0.005 nan 8.240 nan 0.000 0.451 352 V N -0.059 119.867 119.914 0.021 0.000 3.102 352 V HA 0.943 5.063 4.120 0.001 0.000 0.312 352 V C -0.993 175.136 176.094 0.057 0.000 1.135 352 V CA -0.993 61.334 62.300 0.044 0.000 1.022 352 V CB 2.027 33.889 31.823 0.066 0.000 1.056 352 V HN 0.641 nan 8.190 nan 0.000 0.436 353 V N 3.970 123.920 119.914 0.059 0.000 2.370 353 V HA 0.575 4.696 4.120 0.001 0.000 0.283 353 V C -0.000 176.135 176.094 0.068 0.000 1.023 353 V CA -0.229 62.108 62.300 0.061 0.000 0.857 353 V CB 1.077 32.931 31.823 0.053 0.000 0.985 353 V HN 0.926 nan 8.190 nan 0.000 0.443 354 I N 3.140 123.753 120.570 0.072 0.000 2.603 354 I HA 0.667 4.837 4.170 0.001 0.000 0.300 354 I C -0.708 175.456 176.117 0.079 0.000 1.017 354 I CA -1.122 60.225 61.300 0.078 0.000 1.098 354 I CB 1.845 39.892 38.000 0.079 0.000 1.279 354 I HN 0.456 nan 8.210 nan 0.000 0.437 355 L N 4.759 126.044 121.223 0.103 0.000 2.295 355 L HA 0.316 4.656 4.340 0.001 0.000 0.288 355 L C 0.281 177.259 176.870 0.179 0.000 1.079 355 L CA 0.205 55.122 54.840 0.128 0.000 0.830 355 L CB 0.122 42.263 42.059 0.137 0.000 1.200 355 L HN 0.817 nan 8.230 nan 0.000 0.438 356 D N 2.323 122.789 120.400 0.109 0.000 2.494 356 D HA -0.044 4.597 4.640 0.001 0.000 0.249 356 D C 0.634 177.015 176.300 0.136 0.000 1.223 356 D CA 0.102 54.145 54.000 0.072 0.000 0.865 356 D CB -0.620 40.178 40.800 -0.004 0.000 0.974 356 D HN 0.803 nan 8.370 nan 0.000 0.491 357 H N -1.343 117.728 119.070 0.002 0.000 2.893 357 H HA -0.214 4.342 4.556 0.001 0.000 0.298 357 H C 0.886 176.213 175.328 -0.001 0.000 1.083 357 H CA 0.546 56.596 56.048 0.003 0.000 1.176 357 H CB -0.749 29.019 29.762 0.009 0.000 1.339 357 H HN 0.435 nan 8.280 nan 0.000 0.358 358 L N -0.595 120.679 121.223 0.084 0.000 2.102 358 L HA 0.096 4.437 4.340 0.001 0.000 0.202 358 L C 1.603 178.484 176.870 0.017 0.000 1.076 358 L CA 1.198 56.060 54.840 0.036 0.000 0.761 358 L CB 0.249 42.318 42.059 0.016 0.000 0.921 358 L HN 0.250 nan 8.230 nan 0.000 0.444 359 G N -0.382 108.426 108.800 0.013 0.000 2.609 359 G HA2 0.474 4.434 3.960 0.001 0.000 0.308 359 G HA3 0.474 4.434 3.960 0.001 0.000 0.308 359 G C -1.334 173.582 174.900 0.026 0.000 1.369 359 G CA -0.442 44.678 45.100 0.032 0.000 0.958 359 G HN 0.008 nan 8.290 nan 0.000 0.499 360 N N 0.808 119.525 118.700 0.029 0.000 2.443 360 N HA 0.350 5.090 4.740 0.001 0.000 0.293 360 N C -0.439 175.093 175.510 0.036 0.000 1.159 360 N CA -0.891 52.174 53.050 0.025 0.000 0.904 360 N CB 0.931 39.427 38.487 0.015 0.000 1.214 360 N HN 0.314 nan 8.380 nan 0.000 0.513 361 N N 0.857 119.577 118.700 0.033 0.000 2.470 361 N HA 0.237 4.978 4.740 0.001 0.000 0.268 361 N C -0.665 174.868 175.510 0.039 0.000 1.136 361 N CA 0.141 53.215 53.050 0.040 0.000 0.961 361 N CB 0.428 38.937 38.487 0.037 0.000 1.067 361 N HN 0.305 nan 8.380 nan 0.000 0.468 362 R N 0.704 121.233 120.500 0.048 0.000 2.575 362 R HA 0.415 4.755 4.340 0.001 0.000 0.293 362 R C -0.794 175.542 176.300 0.060 0.000 0.983 362 R CA -0.661 55.469 56.100 0.051 0.000 0.887 362 R CB 1.591 31.922 30.300 0.052 0.000 1.184 362 R HN 0.402 nan 8.270 nan 0.000 0.445 363 T N 2.244 116.835 114.554 0.061 0.000 2.771 363 T HA 0.435 4.786 4.350 0.001 0.000 0.291 363 T C -0.531 174.212 174.700 0.072 0.000 0.954 363 T CA -0.401 61.739 62.100 0.066 0.000 1.045 363 T CB 1.253 70.162 68.868 0.068 0.000 0.917 363 T HN 0.115 nan 8.240 nan 0.000 0.484 364 V N 2.124 122.078 119.914 0.067 0.000 3.012 364 V HA 0.560 4.680 4.120 0.001 0.000 0.307 364 V C -0.156 175.953 176.094 0.025 0.000 1.166 364 V CA -0.908 61.436 62.300 0.072 0.000 0.974 364 V CB 2.599 34.484 31.823 0.103 0.000 1.040 364 V HN 0.921 nan 8.190 nan 0.000 0.428 365 S N 3.146 118.827 115.700 -0.031 0.000 2.586 365 S HA 0.371 4.842 4.470 0.001 0.000 0.274 365 S C 1.259 175.817 174.600 -0.071 0.000 1.281 365 S CA -0.147 57.941 58.200 -0.186 0.000 1.035 365 S CB 0.883 63.691 63.200 -0.654 0.000 0.962 365 S HN 0.740 nan 8.310 nan 0.000 0.512 366 I N 0.616 121.127 120.570 -0.099 0.000 2.756 366 I HA 0.021 4.191 4.170 0.001 0.000 0.262 366 I C 1.020 177.201 176.117 0.107 0.000 1.225 366 I CA 1.078 62.362 61.300 -0.026 0.000 1.472 366 I CB -0.317 37.483 38.000 -0.332 0.000 1.094 366 I HN 0.414 nan 8.210 nan 0.000 0.454 367 D N 1.936 122.367 120.400 0.051 0.000 2.263 367 D HA -0.108 4.533 4.640 0.001 0.000 0.208 367 D C 1.086 177.536 176.300 0.250 0.000 0.971 367 D CA 0.929 55.037 54.000 0.181 0.000 0.867 367 D CB -0.292 40.667 40.800 0.264 0.000 0.929 367 D HN 0.481 nan 8.370 nan 0.000 0.492 368 N N 0.176 119.009 118.700 0.222 0.000 2.327 368 N HA 0.140 4.880 4.740 0.001 0.000 0.231 368 N C -0.268 175.489 175.510 0.410 0.000 1.130 368 N CA 0.075 53.282 53.050 0.262 0.000 0.845 368 N CB 1.084 39.691 38.487 0.200 0.000 1.073 368 N HN 0.202 nan 8.380 nan 0.000 0.496 369 L N 0.733 122.253 121.223 0.494 0.000 2.422 369 L HA 0.434 4.774 4.340 0.001 0.000 0.264 369 L C -0.409 176.673 176.870 0.353 0.000 0.984 369 L CA -0.906 54.235 54.840 0.502 0.000 0.819 369 L CB 2.487 44.852 42.059 0.511 0.000 1.330 369 L HN -0.001 nan 8.230 nan 0.000 0.410 370 K N 2.071 122.340 120.400 -0.218 0.000 2.259 370 K HA 0.656 4.977 4.320 0.001 0.000 0.249 370 K C -2.841 173.270 176.600 -0.816 0.000 0.942 370 K CA -1.964 53.931 56.287 -0.653 0.000 0.816 370 K CB 2.087 33.947 32.500 -1.066 0.000 1.155 370 K HN 0.118 nan 8.250 nan 0.000 0.428 371 P HA 0.025 nan 4.420 nan 0.000 0.280 371 P C -0.633 176.306 177.300 -0.602 0.000 1.300 371 P CA -0.173 62.373 63.100 -0.923 0.000 0.785 371 P CB 0.555 31.620 31.700 -1.058 0.000 0.874 372 T N 2.553 116.843 114.554 -0.439 0.000 2.867 372 T HA 0.003 4.353 4.350 0.001 0.000 0.290 372 T C 0.904 175.404 174.700 -0.334 0.000 1.025 372 T CA 0.646 62.541 62.100 -0.341 0.000 1.146 372 T CB -0.248 68.485 68.868 -0.226 0.000 1.024 372 T HN 0.299 nan 8.240 nan 0.000 0.519 373 S N 2.614 118.089 115.700 -0.375 0.000 2.603 373 S HA 0.169 4.639 4.470 0.001 0.000 0.268 373 S C 0.376 174.701 174.600 -0.458 0.000 1.317 373 S CA -0.685 57.184 58.200 -0.552 0.000 1.012 373 S CB 0.142 62.827 63.200 -0.859 0.000 0.926 373 S HN 0.966 nan 8.310 nan 0.000 0.539 374 H N 1.489 120.496 119.070 -0.104 0.000 2.748 374 H HA -0.126 4.430 4.556 0.001 0.000 0.322 374 H C 0.233 175.517 175.328 -0.073 0.000 1.208 374 H CA 0.704 56.704 56.048 -0.081 0.000 1.151 374 H CB -2.212 27.503 29.762 -0.079 0.000 1.505 374 H HN 0.731 nan 8.280 nan 0.000 0.429 375 Q N 0.000 119.787 119.800 -0.022 0.000 2.315 375 Q HA 0.000 4.340 4.340 0.001 0.000 0.214 375 Q CA 0.000 55.788 55.803 -0.024 0.000 1.022 375 Q CB 0.000 28.736 28.738 -0.003 0.000 1.108 375 Q HN 0.000 nan 8.270 nan 0.000 0.481