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 2d5n_1_B DATA FIRST_RESID 1 DATA SEQUENCE MEEYYMKLAL DLAKQGEGQT ESNPLVGAVV VKDGQIVGMG AHLKYGEAHA DATA SEQUENCE EVHAIHMAGA HAEGADIYVT LEPcSHYGKT PPcAELIINS GIKRVFVAMR DATA SEQUENCE DPNPLVAGRG ISMMKEAGIE VREGILADQA ERLNEKFLHF MRTGLPYVTL DATA SEQUENCE KAAASLDGKI ATSTGDSKWI TSEAARQDAQ QYRKTHQSIL VGVGTVKADN DATA SEQUENCE PSLTCRLPNV TKQPVRVILD TVLSIPEDAK VICDQIAPTW IFTTARADEE DATA SEQUENCE KKKRLSAFGV NIFTLETERI QIPDVLKILA EEGIMSVYVE GGSAVHGSFV DATA SEQUENCE KEGCFQEIIF YFAPKLIGGT HAPSLISGEG FQSMKDVPLL QFTDITQIGR DATA SEQUENCE DIKLTAKPT 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.208 176.300 -0.153 0.000 1.140 1 M CA 0.000 55.201 55.300 -0.165 0.000 0.988 1 M CB 0.000 32.540 32.600 -0.100 0.000 1.302 2 E N 1.934 122.100 120.200 -0.056 0.000 2.013 2 E HA -0.221 4.129 4.350 -0.000 0.000 0.202 2 E C 1.571 178.103 176.600 -0.114 0.000 1.018 2 E CA 2.398 58.763 56.400 -0.058 0.000 0.834 2 E CB -0.448 29.227 29.700 -0.042 0.000 0.770 2 E HN 0.774 nan 8.360 nan 0.000 0.459 3 E N 0.198 120.359 120.200 -0.064 0.000 2.204 3 E HA -0.235 4.115 4.350 -0.000 0.000 0.195 3 E C 2.146 178.690 176.600 -0.093 0.000 0.990 3 E CA 1.017 57.387 56.400 -0.051 0.000 0.821 3 E CB -0.585 29.108 29.700 -0.011 0.000 0.750 3 E HN 0.265 nan 8.360 nan 0.000 0.477 4 Y N 1.446 121.581 120.300 -0.274 0.000 2.049 4 Y HA -0.291 4.259 4.550 -0.000 0.000 0.277 4 Y C 1.815 177.503 175.900 -0.355 0.000 1.143 4 Y CA 1.715 59.611 58.100 -0.339 0.000 1.115 4 Y CB -0.897 37.266 38.460 -0.495 0.000 0.975 4 Y HN -0.028 nan 8.280 nan 0.000 0.487 5 Y N -0.626 119.273 120.300 -0.669 0.000 2.241 5 Y HA -0.298 4.252 4.550 -0.000 0.000 0.286 5 Y C 2.606 178.053 175.900 -0.754 0.000 1.166 5 Y CA 1.861 59.387 58.100 -0.956 0.000 1.203 5 Y CB -0.977 36.604 38.460 -1.465 0.000 0.977 5 Y HN 0.321 nan 8.280 nan 0.000 0.529 6 M N 0.185 119.547 119.600 -0.396 0.000 2.288 6 M HA -0.037 4.443 4.480 -0.000 0.000 0.266 6 M C 2.006 178.245 176.300 -0.101 0.000 1.072 6 M CA 1.490 56.720 55.300 -0.116 0.000 1.132 6 M CB -0.174 32.442 32.600 0.027 0.000 1.386 6 M HN -0.046 nan 8.290 nan 0.000 0.432 7 K N 0.119 120.425 120.400 -0.157 0.000 2.057 7 K HA -0.106 4.214 4.320 -0.000 0.000 0.206 7 K C 1.758 178.278 176.600 -0.134 0.000 1.050 7 K CA 1.416 57.637 56.287 -0.110 0.000 0.935 7 K CB -0.829 31.621 32.500 -0.084 0.000 0.715 7 K HN 0.362 nan 8.250 nan 0.000 0.439 8 L N 0.661 121.736 121.223 -0.247 0.000 1.989 8 L HA -0.058 4.282 4.340 -0.000 0.000 0.211 8 L C 2.154 178.962 176.870 -0.104 0.000 1.071 8 L CA 2.354 57.069 54.840 -0.209 0.000 0.749 8 L CB -1.252 40.616 42.059 -0.320 0.000 0.890 8 L HN 0.245 nan 8.230 nan 0.000 0.431 9 A N -0.550 122.220 122.820 -0.083 0.000 1.927 9 A HA -0.249 4.071 4.320 -0.000 0.000 0.220 9 A C 2.284 179.865 177.584 -0.005 0.000 1.185 9 A CA 2.364 54.395 52.037 -0.011 0.000 0.639 9 A CB -1.053 17.972 19.000 0.042 0.000 0.820 9 A HN 0.543 nan 8.150 nan 0.000 0.451 10 L N -0.609 120.605 121.223 -0.016 0.000 1.994 10 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 10 L C 2.261 179.123 176.870 -0.014 0.000 1.071 10 L CA 1.667 56.502 54.840 -0.008 0.000 0.745 10 L CB -0.689 41.365 42.059 -0.009 0.000 0.892 10 L HN 0.306 nan 8.230 nan 0.000 0.431 11 D N -0.135 120.249 120.400 -0.026 0.000 2.158 11 D HA -0.173 4.467 4.640 -0.000 0.000 0.197 11 D C 2.184 178.473 176.300 -0.018 0.000 0.995 11 D CA 1.270 55.256 54.000 -0.023 0.000 0.846 11 D CB -0.127 40.655 40.800 -0.030 0.000 0.941 11 D HN 0.138 nan 8.370 nan 0.000 0.456 12 L N 1.109 122.322 121.223 -0.017 0.000 2.027 12 L HA -0.068 4.272 4.340 -0.000 0.000 0.206 12 L C 2.576 179.447 176.870 0.002 0.000 1.074 12 L CA 1.366 56.202 54.840 -0.008 0.000 0.745 12 L CB -1.171 40.887 42.059 -0.000 0.000 0.898 12 L HN -0.060 nan 8.230 nan 0.000 0.433 13 A N -0.269 122.556 122.820 0.008 0.000 1.903 13 A HA -0.349 3.971 4.320 -0.000 0.000 0.219 13 A C 2.379 179.965 177.584 0.003 0.000 1.191 13 A CA 2.425 54.471 52.037 0.014 0.000 0.638 13 A CB -0.678 18.326 19.000 0.008 0.000 0.823 13 A HN 0.316 nan 8.150 nan 0.000 0.451 14 K N -0.405 119.990 120.400 -0.007 0.000 2.152 14 K HA -0.162 4.158 4.320 -0.000 0.000 0.206 14 K C 1.957 178.547 176.600 -0.017 0.000 1.048 14 K CA 1.641 57.919 56.287 -0.015 0.000 0.933 14 K CB -0.288 32.201 32.500 -0.018 0.000 0.721 14 K HN 0.472 nan 8.250 nan 0.000 0.447 15 Q N -0.650 119.142 119.800 -0.015 0.000 2.297 15 Q HA -0.062 4.278 4.340 -0.000 0.000 0.208 15 Q C 1.616 177.605 176.000 -0.019 0.000 0.981 15 Q CA 1.591 57.382 55.803 -0.020 0.000 0.876 15 Q CB -0.528 28.197 28.738 -0.022 0.000 0.921 15 Q HN 0.461 nan 8.270 nan 0.000 0.446 16 G N 0.479 109.275 108.800 -0.007 0.000 3.314 16 G HA2 0.024 3.984 3.960 -0.000 0.000 0.238 16 G HA3 0.024 3.984 3.960 -0.000 0.000 0.238 16 G C 0.022 174.918 174.900 -0.006 0.000 1.184 16 G CA -0.391 44.709 45.100 0.001 0.000 0.806 16 G HN 0.259 nan 8.290 nan 0.000 0.536 17 E N 0.406 120.592 120.200 -0.023 0.000 2.415 17 E HA 0.345 4.695 4.350 -0.000 0.000 0.263 17 E C 1.428 178.000 176.600 -0.047 0.000 0.995 17 E CA 0.590 56.966 56.400 -0.040 0.000 0.915 17 E CB 0.034 29.703 29.700 -0.051 0.000 0.951 17 E HN 0.275 nan 8.360 nan 0.000 0.449 18 G N 3.839 112.605 108.800 -0.056 0.000 2.179 18 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.257 18 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.257 18 G C 0.442 175.318 174.900 -0.039 0.000 1.010 18 G CA 0.728 45.790 45.100 -0.063 0.000 0.736 18 G HN 0.660 nan 8.290 nan 0.000 0.513 19 Q N -1.243 118.549 119.800 -0.014 0.000 2.140 19 Q HA 0.154 4.494 4.340 -0.000 0.000 0.227 19 Q C 1.954 177.990 176.000 0.059 0.000 0.798 19 Q CA 0.819 56.627 55.803 0.009 0.000 0.987 19 Q CB 0.757 29.496 28.738 0.000 0.000 1.161 19 Q HN 0.646 nan 8.270 nan 0.000 0.480 20 T N -3.208 111.390 114.554 0.072 0.000 3.023 20 T HA 0.211 4.561 4.350 -0.000 0.000 0.253 20 T C 0.599 175.347 174.700 0.079 0.000 1.038 20 T CA 0.339 62.543 62.100 0.173 0.000 0.962 20 T CB 0.411 69.405 68.868 0.211 0.000 1.018 20 T HN 0.228 nan 8.240 nan 0.000 0.521 21 E N 1.492 121.669 120.200 -0.039 0.000 3.966 21 E HA -0.282 4.068 4.350 -0.000 0.000 0.204 21 E C 0.707 177.225 176.600 -0.137 0.000 1.215 21 E CA 1.955 58.266 56.400 -0.148 0.000 2.203 21 E CB -1.863 27.628 29.700 -0.348 0.000 1.837 21 E HN 0.701 nan 8.360 nan 0.000 0.327 22 S N 0.956 116.559 115.700 -0.162 0.000 2.855 22 S HA 0.352 4.821 4.470 -0.000 0.000 0.249 22 S C -0.300 174.319 174.600 0.031 0.000 1.033 22 S CA -0.490 57.674 58.200 -0.059 0.000 1.038 22 S CB -0.027 63.118 63.200 -0.091 0.000 0.960 22 S HN 0.294 nan 8.310 nan 0.000 0.548 23 N N 2.952 121.646 118.700 -0.011 0.000 2.370 23 N HA 0.455 5.195 4.740 -0.000 0.000 0.303 23 N C -3.080 172.190 175.510 -0.400 0.000 1.103 23 N CA -1.975 51.003 53.050 -0.121 0.000 0.848 23 N CB 1.836 40.366 38.487 0.072 0.000 1.235 23 N HN 0.173 nan 8.380 nan 0.000 0.496 24 P HA 0.133 nan 4.420 nan 0.000 0.281 24 P C -0.719 176.350 177.300 -0.385 0.000 1.252 24 P CA -0.382 62.236 63.100 -0.804 0.000 0.778 24 P CB 0.818 31.834 31.700 -1.139 0.000 0.895 25 L N 4.053 125.144 121.223 -0.220 0.000 2.485 25 L HA 0.172 4.512 4.340 -0.000 0.000 0.275 25 L C 0.673 177.489 176.870 -0.090 0.000 1.207 25 L CA 0.704 55.494 54.840 -0.084 0.000 0.855 25 L CB 0.141 42.170 42.059 -0.050 0.000 1.114 25 L HN 0.230 nan 8.230 nan 0.000 0.485 26 V N 0.881 120.782 119.914 -0.021 0.000 3.048 26 V HA 0.861 4.981 4.120 -0.000 0.000 0.303 26 V C 0.021 176.139 176.094 0.039 0.000 1.214 26 V CA -0.625 61.665 62.300 -0.016 0.000 0.984 26 V CB 1.998 33.781 31.823 -0.067 0.000 1.054 26 V HN 0.864 nan 8.190 nan 0.000 0.430 27 G N 0.918 109.740 108.800 0.037 0.000 2.642 27 G HA2 0.966 4.926 3.960 -0.000 0.000 0.293 27 G HA3 0.966 4.926 3.960 -0.000 0.000 0.293 27 G C -1.248 173.692 174.900 0.067 0.000 1.341 27 G CA -0.238 44.894 45.100 0.053 0.000 0.916 27 G HN 1.373 nan 8.290 nan 0.000 0.474 28 A N -0.356 122.511 122.820 0.078 0.000 2.547 28 A HA 0.772 5.092 4.320 -0.000 0.000 0.297 28 A C -1.491 176.151 177.584 0.096 0.000 1.056 28 A CA -0.528 51.569 52.037 0.099 0.000 0.688 28 A CB 1.997 21.056 19.000 0.098 0.000 1.282 28 A HN 1.436 nan 8.150 nan 0.000 0.400 29 V N 1.839 121.833 119.914 0.132 0.000 2.525 29 V HA 0.438 4.558 4.120 -0.000 0.000 0.299 29 V C -0.592 175.583 176.094 0.135 0.000 1.034 29 V CA -0.608 61.751 62.300 0.097 0.000 0.863 29 V CB 1.667 33.505 31.823 0.024 0.000 0.999 29 V HN 0.721 nan 8.190 nan 0.000 0.423 30 V N 5.778 125.730 119.914 0.065 0.000 2.348 30 V HA 0.392 4.512 4.120 -0.000 0.000 0.270 30 V C 0.074 176.155 176.094 -0.022 0.000 1.037 30 V CA -0.452 61.878 62.300 0.050 0.000 0.872 30 V CB 1.440 33.295 31.823 0.053 0.000 1.002 30 V HN 0.618 nan 8.190 nan 0.000 0.464 31 V N 4.893 124.774 119.914 -0.056 0.000 2.481 31 V HA 0.641 4.761 4.120 -0.000 0.000 0.286 31 V C -0.046 176.010 176.094 -0.062 0.000 1.042 31 V CA -0.674 61.518 62.300 -0.180 0.000 0.928 31 V CB 1.830 33.398 31.823 -0.425 0.000 0.986 31 V HN 0.845 nan 8.190 nan 0.000 0.462 32 K N 3.133 123.498 120.400 -0.059 0.000 2.637 32 K HA 0.385 4.705 4.320 -0.000 0.000 0.248 32 K C -0.463 176.122 176.600 -0.025 0.000 0.971 32 K CA -0.274 56.000 56.287 -0.022 0.000 0.858 32 K CB 0.698 33.191 32.500 -0.010 0.000 1.170 32 K HN 0.629 nan 8.250 nan 0.000 0.443 33 D N 3.883 124.288 120.400 0.008 0.000 2.800 33 D HA -0.174 4.466 4.640 -0.000 0.000 0.232 33 D C 0.389 176.706 176.300 0.029 0.000 1.137 33 D CA 1.847 55.857 54.000 0.017 0.000 0.718 33 D CB -1.034 39.765 40.800 -0.001 0.000 1.084 33 D HN 1.165 nan 8.370 nan 0.000 0.432 34 G N 0.116 108.948 108.800 0.053 0.000 2.147 34 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.244 34 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.244 34 G C 0.039 175.000 174.900 0.102 0.000 1.005 34 G CA 0.602 45.766 45.100 0.106 0.000 0.713 34 G HN 0.487 nan 8.290 nan 0.000 0.515 35 Q N -0.732 119.084 119.800 0.027 0.000 2.285 35 Q HA 0.540 4.880 4.340 -0.000 0.000 0.269 35 Q C 0.160 176.136 176.000 -0.040 0.000 1.030 35 Q CA -0.951 54.859 55.803 0.011 0.000 0.788 35 Q CB 1.995 30.710 28.738 -0.039 0.000 1.266 35 Q HN 0.384 nan 8.270 nan 0.000 0.438 36 I N 2.930 123.500 120.570 0.001 0.000 2.581 36 I HA -0.061 4.109 4.170 -0.000 0.000 0.285 36 I C 1.138 177.243 176.117 -0.019 0.000 1.129 36 I CA 0.179 61.460 61.300 -0.032 0.000 1.397 36 I CB 0.376 38.400 38.000 0.039 0.000 1.399 36 I HN 0.548 nan 8.210 nan 0.000 0.537 37 V N 2.556 122.459 119.914 -0.018 0.000 3.604 37 V HA 0.528 4.648 4.120 -0.000 0.000 0.277 37 V C 0.642 176.773 176.094 0.063 0.000 1.399 37 V CA 0.159 62.471 62.300 0.020 0.000 1.034 37 V CB 0.262 32.099 31.823 0.024 0.000 0.824 37 V HN 0.759 nan 8.190 nan 0.000 0.439 38 G N 0.642 109.471 108.800 0.048 0.000 2.753 38 G HA2 0.727 4.687 3.960 -0.000 0.000 0.297 38 G HA3 0.727 4.687 3.960 -0.000 0.000 0.297 38 G C -1.399 173.535 174.900 0.057 0.000 1.430 38 G CA -0.696 44.444 45.100 0.067 0.000 1.040 38 G HN 0.109 nan 8.290 nan 0.000 0.530 39 M N 1.032 120.669 119.600 0.063 0.000 2.433 39 M HA 0.729 5.209 4.480 -0.000 0.000 0.290 39 M C -0.069 176.271 176.300 0.067 0.000 1.173 39 M CA -0.612 54.719 55.300 0.051 0.000 0.905 39 M CB 2.907 35.522 32.600 0.025 0.000 1.692 39 M HN 0.877 nan 8.290 nan 0.000 0.462 40 G N 1.085 109.930 108.800 0.076 0.000 2.646 40 G HA2 0.896 4.856 3.960 -0.000 0.000 0.291 40 G HA3 0.896 4.856 3.960 -0.000 0.000 0.291 40 G C -2.399 172.565 174.900 0.106 0.000 1.445 40 G CA -0.512 44.652 45.100 0.107 0.000 0.814 40 G HN 0.953 nan 8.290 nan 0.000 0.495 41 A N -0.117 122.784 122.820 0.135 0.000 2.604 41 A HA 0.679 4.999 4.320 -0.000 0.000 0.295 41 A C -1.069 176.633 177.584 0.197 0.000 1.067 41 A CA -0.679 51.436 52.037 0.130 0.000 0.683 41 A CB 1.236 20.271 19.000 0.058 0.000 1.281 41 A HN 1.007 nan 8.150 nan 0.000 0.407 42 H N 2.973 122.099 119.070 0.093 0.000 3.017 42 H HA 0.208 4.764 4.556 -0.000 0.000 0.276 42 H C -0.167 175.206 175.328 0.076 0.000 1.062 42 H CA 0.085 56.196 56.048 0.106 0.000 1.486 42 H CB 0.634 30.429 29.762 0.055 0.000 1.507 42 H HN 0.443 nan 8.280 nan 0.000 0.508 43 L N 4.307 125.456 121.223 -0.123 0.000 2.425 43 L HA 0.208 4.548 4.340 -0.000 0.000 0.215 43 L C 0.650 177.454 176.870 -0.109 0.000 1.065 43 L CA 1.148 55.938 54.840 -0.084 0.000 0.842 43 L CB -0.159 41.859 42.059 -0.068 0.000 1.033 43 L HN 0.494 nan 8.230 nan 0.000 0.474 44 K N -0.584 119.680 120.400 -0.225 0.000 2.482 44 K HA 0.212 4.532 4.320 -0.000 0.000 0.251 44 K C -1.270 175.261 176.600 -0.115 0.000 0.936 44 K CA -0.941 55.281 56.287 -0.108 0.000 0.791 44 K CB 2.632 35.094 32.500 -0.062 0.000 1.213 44 K HN -0.226 nan 8.250 nan 0.000 0.428 45 Y N 1.330 121.624 120.300 -0.010 0.000 2.987 45 Y HA -0.102 4.448 4.550 -0.000 0.000 0.339 45 Y C 1.254 177.201 175.900 0.079 0.000 1.272 45 Y CA 2.193 60.362 58.100 0.114 0.000 1.562 45 Y CB 0.188 38.694 38.460 0.077 0.000 1.253 45 Y HN 0.994 nan 8.280 nan 0.000 0.604 46 G N 3.677 112.053 108.800 -0.707 0.000 2.175 46 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.265 46 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.265 46 G C 0.228 174.967 174.900 -0.269 0.000 0.979 46 G CA 0.624 45.361 45.100 -0.606 0.000 0.663 46 G HN 0.693 nan 8.290 nan 0.000 0.533 47 E N -0.314 119.765 120.200 -0.202 0.000 2.518 47 E HA 0.681 5.031 4.350 -0.000 0.000 0.248 47 E C 0.863 177.348 176.600 -0.192 0.000 1.028 47 E CA -0.666 55.623 56.400 -0.184 0.000 0.922 47 E CB 0.770 30.375 29.700 -0.158 0.000 1.299 47 E HN 0.685 nan 8.360 nan 0.000 0.457 48 A N 0.813 123.502 122.820 -0.218 0.000 2.603 48 A HA -0.068 4.252 4.320 -0.000 0.000 0.235 48 A C -0.398 177.120 177.584 -0.110 0.000 1.035 48 A CA 0.793 52.650 52.037 -0.298 0.000 0.755 48 A CB -0.500 18.138 19.000 -0.603 0.000 0.954 48 A HN 0.515 nan 8.150 nan 0.000 0.511 49 H N 0.822 119.886 119.070 -0.010 0.000 2.597 49 H HA 0.334 4.890 4.556 -0.000 0.000 0.370 49 H C 1.595 176.969 175.328 0.076 0.000 1.281 49 H CA -0.138 56.018 56.048 0.180 0.000 1.422 49 H CB 1.021 30.832 29.762 0.083 0.000 1.524 49 H HN 0.800 nan 8.280 nan 0.000 0.607 50 A N 1.657 124.645 122.820 0.280 0.000 1.972 50 A HA -0.193 4.127 4.320 -0.000 0.000 0.219 50 A C 1.876 179.548 177.584 0.147 0.000 1.169 50 A CA 1.655 53.813 52.037 0.201 0.000 0.635 50 A CB -0.343 18.745 19.000 0.147 0.000 0.810 50 A HN 0.782 nan 8.150 nan 0.000 0.446 51 E N -0.583 119.688 120.200 0.118 0.000 2.274 51 E HA -0.002 4.348 4.350 -0.000 0.000 0.194 51 E C 1.780 178.429 176.600 0.081 0.000 0.996 51 E CA 0.746 57.200 56.400 0.091 0.000 0.840 51 E CB -0.249 29.493 29.700 0.070 0.000 0.772 51 E HN 0.360 nan 8.360 nan 0.000 0.491 52 V N 0.539 120.487 119.914 0.056 0.000 2.239 52 V HA -0.268 3.852 4.120 -0.000 0.000 0.242 52 V C 1.771 177.890 176.094 0.041 0.000 1.038 52 V CA 2.043 64.342 62.300 -0.001 0.000 1.002 52 V CB -0.582 31.169 31.823 -0.121 0.000 0.641 52 V HN 0.331 nan 8.190 nan 0.000 0.449 53 H N -0.008 119.098 119.070 0.061 0.000 2.289 53 H HA -0.243 4.313 4.556 -0.000 0.000 0.294 53 H C 2.276 177.659 175.328 0.092 0.000 1.095 53 H CA 1.826 57.901 56.048 0.045 0.000 1.256 53 H CB -0.269 29.504 29.762 0.019 0.000 1.359 53 H HN 0.478 nan 8.280 nan 0.000 0.487 54 A N 1.213 124.163 122.820 0.216 0.000 1.851 54 A HA -0.194 4.126 4.320 -0.000 0.000 0.216 54 A C 2.336 180.001 177.584 0.134 0.000 1.195 54 A CA 1.723 53.850 52.037 0.150 0.000 0.622 54 A CB -0.586 18.485 19.000 0.118 0.000 0.831 54 A HN 0.283 nan 8.150 nan 0.000 0.444 55 I N -0.267 120.374 120.570 0.118 0.000 2.091 55 I HA -0.294 3.876 4.170 -0.000 0.000 0.239 55 I C 2.461 178.637 176.117 0.099 0.000 1.061 55 I CA 2.226 63.580 61.300 0.090 0.000 1.317 55 I CB -1.636 36.407 38.000 0.071 0.000 1.031 55 I HN 0.603 nan 8.210 nan 0.000 0.401 56 H N 0.905 120.002 119.070 0.044 0.000 2.289 56 H HA -0.259 4.297 4.556 -0.000 0.000 0.294 56 H C 2.287 177.642 175.328 0.045 0.000 1.095 56 H CA 2.494 58.566 56.048 0.040 0.000 1.256 56 H CB -0.323 29.470 29.762 0.052 0.000 1.359 56 H HN 0.259 nan 8.280 nan 0.000 0.487 57 M N 0.188 119.948 119.600 0.267 0.000 2.149 57 M HA -0.150 4.330 4.480 -0.000 0.000 0.261 57 M C 2.437 178.784 176.300 0.078 0.000 1.064 57 M CA 1.844 57.253 55.300 0.181 0.000 1.102 57 M CB -0.232 32.467 32.600 0.165 0.000 1.369 57 M HN 0.371 nan 8.290 nan 0.000 0.408 58 A N 0.156 123.021 122.820 0.076 0.000 2.119 58 A HA 0.227 4.547 4.320 -0.000 0.000 0.217 58 A C 1.620 179.221 177.584 0.029 0.000 1.153 58 A CA 1.229 53.318 52.037 0.087 0.000 0.692 58 A CB -1.294 17.758 19.000 0.086 0.000 0.799 58 A HN 0.735 nan 8.150 nan 0.000 0.458 59 G N -0.660 108.102 108.800 -0.064 0.000 2.652 59 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.318 59 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.318 59 G C 1.399 176.214 174.900 -0.141 0.000 1.295 59 G CA 1.506 46.518 45.100 -0.147 0.000 0.999 59 G HN 1.524 nan 8.290 nan 0.000 0.548 60 A N -1.299 121.378 122.820 -0.238 0.000 2.172 60 A HA 0.093 4.413 4.320 -0.000 0.000 0.216 60 A C 1.800 179.282 177.584 -0.169 0.000 1.154 60 A CA 2.031 53.938 52.037 -0.217 0.000 0.701 60 A CB -0.514 18.332 19.000 -0.257 0.000 0.789 60 A HN 0.714 nan 8.150 nan 0.000 0.465 61 H N -0.721 118.340 119.070 -0.015 0.000 2.547 61 H HA 0.249 4.805 4.556 -0.000 0.000 0.266 61 H C 2.211 177.536 175.328 -0.005 0.000 0.988 61 H CA 0.609 56.653 56.048 -0.007 0.000 1.147 61 H CB -0.283 29.476 29.762 -0.004 0.000 1.365 61 H HN 0.551 nan 8.280 nan 0.000 0.589 62 A N 0.945 123.810 122.820 0.076 0.000 1.898 62 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 62 A C 1.316 178.920 177.584 0.032 0.000 1.181 62 A CA 0.310 52.375 52.037 0.046 0.000 0.620 62 A CB -0.220 18.792 19.000 0.020 0.000 0.819 62 A HN 0.378 nan 8.150 nan 0.000 0.442 63 E N -0.809 119.405 120.200 0.023 0.000 2.366 63 E HA 0.342 4.692 4.350 -0.000 0.000 0.266 63 E C 1.047 177.663 176.600 0.025 0.000 1.015 63 E CA 0.536 56.946 56.400 0.016 0.000 0.906 63 E CB 0.005 29.709 29.700 0.007 0.000 0.979 63 E HN 0.697 nan 8.360 nan 0.000 0.443 64 G N 2.464 111.273 108.800 0.015 0.000 2.162 64 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.260 64 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.260 64 G C 0.177 175.090 174.900 0.022 0.000 0.976 64 G CA 0.204 45.315 45.100 0.017 0.000 0.655 64 G HN 0.787 nan 8.290 nan 0.000 0.533 65 A N -0.699 122.135 122.820 0.022 0.000 2.261 65 A HA 0.774 5.094 4.320 -0.000 0.000 0.323 65 A C -0.012 177.579 177.584 0.012 0.000 1.107 65 A CA -0.132 51.920 52.037 0.025 0.000 0.883 65 A CB 0.903 19.923 19.000 0.034 0.000 1.251 65 A HN 0.162 nan 8.150 nan 0.000 0.502 66 D N -0.687 119.726 120.400 0.023 0.000 2.440 66 D HA 0.602 5.242 4.640 -0.000 0.000 0.258 66 D C -0.790 175.506 176.300 -0.006 0.000 1.092 66 D CA 0.115 54.118 54.000 0.005 0.000 1.016 66 D CB 1.862 42.713 40.800 0.086 0.000 1.141 66 D HN 0.453 nan 8.370 nan 0.000 0.552 67 I N 0.779 121.311 120.570 -0.065 0.000 2.637 67 I HA 0.158 4.328 4.170 -0.000 0.000 0.285 67 I C -1.742 174.372 176.117 -0.006 0.000 1.222 67 I CA -0.624 60.686 61.300 0.016 0.000 1.067 67 I CB 0.611 38.623 38.000 0.020 0.000 1.279 67 I HN 0.168 nan 8.210 nan 0.000 0.441 68 Y N 6.383 126.757 120.300 0.123 0.000 2.336 68 Y HA 0.541 5.091 4.550 -0.000 0.000 0.335 68 Y C 0.036 175.990 175.900 0.089 0.000 1.046 68 Y CA -0.589 57.599 58.100 0.147 0.000 1.198 68 Y CB 1.379 39.887 38.460 0.080 0.000 1.182 68 Y HN 0.191 nan 8.280 nan 0.000 0.502 69 V N 3.021 123.054 119.914 0.198 0.000 2.531 69 V HA 0.160 4.280 4.120 -0.000 0.000 0.301 69 V C 0.656 176.814 176.094 0.107 0.000 1.034 69 V CA -0.726 61.647 62.300 0.122 0.000 0.865 69 V CB 1.703 33.568 31.823 0.070 0.000 0.995 69 V HN 0.916 nan 8.190 nan 0.000 0.424 70 T N 3.740 118.341 114.554 0.079 0.000 2.720 70 T HA -0.045 4.305 4.350 -0.000 0.000 0.268 70 T C 0.480 175.208 174.700 0.045 0.000 1.037 70 T CA 1.743 63.878 62.100 0.058 0.000 1.144 70 T CB -0.101 68.786 68.868 0.032 0.000 0.864 70 T HN 0.313 nan 8.240 nan 0.000 0.444 71 L N 0.913 122.151 121.223 0.024 0.000 2.333 71 L HA 0.493 4.833 4.340 -0.000 0.000 0.263 71 L C -0.346 176.529 176.870 0.009 0.000 1.014 71 L CA -0.753 54.096 54.840 0.015 0.000 0.820 71 L CB 1.919 43.968 42.059 -0.016 0.000 1.352 71 L HN 0.079 nan 8.230 nan 0.000 0.421 72 E N 3.811 124.020 120.200 0.014 0.000 2.493 72 E HA 0.117 4.467 4.350 -0.000 0.000 0.255 72 E C -2.109 174.484 176.600 -0.011 0.000 0.999 72 E CA -1.208 55.196 56.400 0.006 0.000 0.934 72 E CB 0.574 30.281 29.700 0.011 0.000 0.940 72 E HN 0.346 nan 8.360 nan 0.000 0.473 73 P HA -0.128 nan 4.420 nan 0.000 0.264 73 P C -0.428 176.867 177.300 -0.008 0.000 1.179 73 P CA -0.160 62.931 63.100 -0.014 0.000 0.763 73 P CB 0.147 31.842 31.700 -0.010 0.000 0.806 74 c N 1.823 120.429 118.600 0.011 0.000 2.611 74 c HA 0.280 4.850 4.570 -0.000 0.000 0.416 74 c C 1.312 175.429 174.090 0.044 0.000 1.366 74 c CA 0.573 56.953 56.329 0.085 0.000 1.761 74 c CB -0.930 41.716 42.510 0.227 0.000 2.619 74 c HN 0.649 nan 8.230 nan 0.000 0.606 75 S N 1.095 116.835 115.700 0.068 0.000 2.847 75 S HA 0.147 4.617 4.470 -0.000 0.000 0.254 75 S C 0.307 174.782 174.600 -0.209 0.000 1.039 75 S CA -0.288 57.844 58.200 -0.112 0.000 1.113 75 S CB -0.583 62.556 63.200 -0.102 0.000 1.092 75 S HN 1.072 nan 8.310 nan 0.000 0.620 76 H N 0.598 119.562 119.070 -0.177 0.000 2.722 76 H HA 0.278 4.834 4.556 -0.000 0.000 0.328 76 H C -0.893 174.336 175.328 -0.164 0.000 1.067 76 H CA -0.448 55.517 56.048 -0.137 0.000 1.447 76 H CB 0.075 29.823 29.762 -0.023 0.000 1.469 76 H HN 0.194 nan 8.280 nan 0.000 0.544 77 Y N 3.230 123.511 120.300 -0.031 0.000 2.871 77 Y HA 0.149 4.699 4.550 -0.000 0.000 0.378 77 Y C 1.727 177.588 175.900 -0.065 0.000 1.069 77 Y CA 0.340 58.391 58.100 -0.083 0.000 1.662 77 Y CB -0.397 38.046 38.460 -0.028 0.000 1.561 77 Y HN 0.913 nan 8.280 nan 0.000 0.483 78 G N 0.554 109.348 108.800 -0.011 0.000 2.466 78 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.204 78 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.204 78 G C 1.193 176.123 174.900 0.050 0.000 1.600 78 G CA -0.216 44.944 45.100 0.099 0.000 1.038 78 G HN 0.162 nan 8.290 nan 0.000 0.515 79 K N 0.766 121.198 120.400 0.054 0.000 2.555 79 K HA 0.076 4.396 4.320 -0.000 0.000 0.193 79 K C 0.586 177.186 176.600 0.000 0.000 1.032 79 K CA 0.826 57.131 56.287 0.029 0.000 1.004 79 K CB -0.723 31.798 32.500 0.035 0.000 0.804 79 K HN 0.651 nan 8.250 nan 0.000 0.496 80 T N -1.998 112.541 114.554 -0.026 0.000 2.827 80 T HA 0.253 4.603 4.350 -0.000 0.000 0.328 80 T C -3.157 171.512 174.700 -0.052 0.000 1.598 80 T CA -1.680 60.399 62.100 -0.034 0.000 1.043 80 T CB 2.337 71.176 68.868 -0.048 0.000 1.447 80 T HN -0.217 nan 8.240 nan 0.000 0.491 81 P HA 0.247 nan 4.420 nan 0.000 0.266 81 P C -2.568 174.689 177.300 -0.073 0.000 1.195 81 P CA -0.725 62.379 63.100 0.008 0.000 0.768 81 P CB -0.392 31.324 31.700 0.027 0.000 0.838 82 P HA 0.107 nan 4.420 nan 0.000 0.281 82 P C 0.673 177.936 177.300 -0.062 0.000 1.249 82 P CA -0.418 62.576 63.100 -0.177 0.000 0.810 82 P CB 0.771 32.279 31.700 -0.319 0.000 1.008 83 c N 1.410 120.010 118.600 0.001 0.000 2.403 83 c HA -0.120 4.450 4.570 -0.000 0.000 0.282 83 c C 2.874 176.965 174.090 0.003 0.000 1.297 83 c CA 1.350 57.698 56.329 0.032 0.000 1.785 83 c CB -2.195 40.368 42.510 0.088 0.000 1.963 83 c HN 0.651 nan 8.230 nan 0.000 0.507 84 A N 0.331 123.134 122.820 -0.027 0.000 1.929 84 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 84 A C 2.214 179.783 177.584 -0.025 0.000 1.176 84 A CA 1.647 53.663 52.037 -0.036 0.000 0.628 84 A CB -0.491 18.469 19.000 -0.067 0.000 0.816 84 A HN 0.690 nan 8.150 nan 0.000 0.444 85 E N -0.470 119.715 120.200 -0.025 0.000 2.086 85 E HA -0.077 4.273 4.350 -0.000 0.000 0.190 85 E C 1.921 178.532 176.600 0.019 0.000 0.975 85 E CA 0.546 56.960 56.400 0.023 0.000 0.813 85 E CB -0.144 29.603 29.700 0.079 0.000 0.768 85 E HN 0.393 nan 8.360 nan 0.000 0.457 86 L N 1.497 122.726 121.223 0.009 0.000 2.129 86 L HA -0.186 4.154 4.340 -0.000 0.000 0.212 86 L C 1.979 178.856 176.870 0.012 0.000 1.087 86 L CA 1.538 56.385 54.840 0.011 0.000 0.757 86 L CB -0.564 41.502 42.059 0.011 0.000 0.896 86 L HN 0.339 nan 8.230 nan 0.000 0.434 87 I N -0.739 119.836 120.570 0.007 0.000 2.353 87 I HA -0.285 3.885 4.170 -0.000 0.000 0.248 87 I C 2.454 178.569 176.117 -0.002 0.000 1.119 87 I CA 0.429 61.730 61.300 0.003 0.000 1.417 87 I CB -0.062 37.934 38.000 -0.006 0.000 1.078 87 I HN 0.154 nan 8.210 nan 0.000 0.421 88 I N 1.286 121.856 120.570 -0.000 0.000 2.058 88 I HA -0.309 3.861 4.170 -0.000 0.000 0.235 88 I C 2.063 178.181 176.117 0.002 0.000 1.053 88 I CA 1.748 63.049 61.300 0.001 0.000 1.313 88 I CB -1.702 36.307 38.000 0.014 0.000 1.039 88 I HN 0.342 nan 8.210 nan 0.000 0.396 89 N N 0.917 119.622 118.700 0.008 0.000 2.430 89 N HA -0.122 4.618 4.740 -0.000 0.000 0.186 89 N C 1.704 177.214 175.510 0.000 0.000 1.032 89 N CA 0.974 54.027 53.050 0.005 0.000 0.893 89 N CB -0.371 38.121 38.487 0.008 0.000 0.957 89 N HN 0.302 nan 8.380 nan 0.000 0.442 90 S N -0.728 114.972 115.700 0.001 0.000 2.562 90 S HA 0.186 4.656 4.470 -0.000 0.000 0.221 90 S C 1.468 176.067 174.600 -0.002 0.000 0.975 90 S CA 0.522 58.722 58.200 -0.001 0.000 0.918 90 S CB 0.158 63.362 63.200 0.005 0.000 0.772 90 S HN 0.602 nan 8.310 nan 0.000 0.531 91 G N 1.533 110.331 108.800 -0.003 0.000 2.143 91 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.249 91 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.249 91 G C 0.095 174.993 174.900 -0.005 0.000 0.981 91 G CA -0.253 44.844 45.100 -0.004 0.000 0.665 91 G HN 0.500 nan 8.290 nan 0.000 0.528 92 I N 1.032 121.598 120.570 -0.008 0.000 2.618 92 I HA 0.117 4.287 4.170 -0.000 0.000 0.284 92 I C 1.792 177.890 176.117 -0.031 0.000 1.146 92 I CA 0.725 62.016 61.300 -0.016 0.000 1.425 92 I CB 0.993 38.981 38.000 -0.020 0.000 1.383 92 I HN 0.443 nan 8.210 nan 0.000 0.562 93 K N 6.845 127.225 120.400 -0.034 0.000 2.099 93 K HA 0.146 4.466 4.320 -0.000 0.000 0.203 93 K C 0.385 176.930 176.600 -0.092 0.000 1.047 93 K CA 0.328 56.587 56.287 -0.047 0.000 0.963 93 K CB 0.200 32.684 32.500 -0.027 0.000 0.759 93 K HN 0.462 nan 8.250 nan 0.000 0.451 94 R N 1.492 121.919 120.500 -0.122 0.000 2.437 94 R HA 0.440 4.780 4.340 -0.000 0.000 0.310 94 R C -1.330 174.754 176.300 -0.359 0.000 0.955 94 R CA -0.745 55.198 56.100 -0.261 0.000 0.851 94 R CB 2.468 32.607 30.300 -0.267 0.000 1.161 94 R HN -0.070 nan 8.270 nan 0.000 0.446 95 V N 3.555 123.196 119.914 -0.455 0.000 2.667 95 V HA 0.476 4.596 4.120 -0.000 0.000 0.308 95 V C -0.802 174.914 176.094 -0.631 0.000 1.048 95 V CA -0.626 61.444 62.300 -0.384 0.000 0.928 95 V CB 1.647 33.348 31.823 -0.203 0.000 1.004 95 V HN 0.576 nan 8.190 nan 0.000 0.444 96 F N 2.718 122.522 119.950 -0.242 0.000 2.451 96 F HA 0.478 5.005 4.527 -0.000 0.000 0.367 96 F C 0.112 175.883 175.800 -0.047 0.000 1.100 96 F CA -0.529 57.367 58.000 -0.174 0.000 1.171 96 F CB 1.444 40.244 39.000 -0.334 0.000 1.405 96 F HN 0.168 nan 8.300 nan 0.000 0.482 97 V N 2.392 122.356 119.914 0.084 0.000 2.881 97 V HA 0.383 4.503 4.120 -0.000 0.000 0.303 97 V C 0.908 177.074 176.094 0.120 0.000 1.070 97 V CA 0.349 62.698 62.300 0.082 0.000 1.074 97 V CB 1.428 33.270 31.823 0.032 0.000 1.012 97 V HN 0.824 nan 8.190 nan 0.000 0.482 98 A N 4.528 127.412 122.820 0.106 0.000 1.887 98 A HA 0.437 4.757 4.320 -0.000 0.000 0.210 98 A C 0.645 178.276 177.584 0.077 0.000 1.221 98 A CA 1.022 53.121 52.037 0.102 0.000 0.635 98 A CB 0.066 19.122 19.000 0.092 0.000 0.881 98 A HN 0.898 nan 8.150 nan 0.000 0.456 99 M N -2.069 117.570 119.600 0.064 0.000 2.470 99 M HA 0.645 5.125 4.480 -0.000 0.000 0.285 99 M C -0.879 175.450 176.300 0.049 0.000 1.213 99 M CA -0.710 54.623 55.300 0.056 0.000 0.901 99 M CB 1.825 34.461 32.600 0.060 0.000 1.718 99 M HN 0.016 nan 8.290 nan 0.000 0.469 100 R N 0.590 121.116 120.500 0.042 0.000 2.726 100 R HA 0.286 4.625 4.340 -0.000 0.000 0.272 100 R C -0.702 175.625 176.300 0.045 0.000 1.097 100 R CA -0.443 55.678 56.100 0.035 0.000 1.198 100 R CB 0.284 30.599 30.300 0.025 0.000 1.114 100 R HN 0.708 nan 8.270 nan 0.000 0.550 101 D N 0.588 121.012 120.400 0.039 0.000 2.506 101 D HA -0.038 4.602 4.640 -0.000 0.000 0.234 101 D C -1.519 174.813 176.300 0.053 0.000 1.143 101 D CA -0.676 53.357 54.000 0.054 0.000 0.871 101 D CB 0.850 41.672 40.800 0.037 0.000 1.190 101 D HN 0.199 nan 8.370 nan 0.000 0.459 102 P HA -0.081 nan 4.420 nan 0.000 0.217 102 P C -0.245 177.037 177.300 -0.030 0.000 1.151 102 P CA 0.545 63.659 63.100 0.024 0.000 0.828 102 P CB 0.091 31.794 31.700 0.004 0.000 0.788 103 N N 0.426 119.115 118.700 -0.018 0.000 2.416 103 N HA 0.029 4.769 4.740 -0.000 0.000 0.265 103 N C -1.584 173.910 175.510 -0.027 0.000 1.195 103 N CA -1.398 51.629 53.050 -0.038 0.000 0.943 103 N CB 0.695 39.172 38.487 -0.016 0.000 1.115 103 N HN -0.092 nan 8.380 nan 0.000 0.481 104 P HA -0.177 nan 4.420 nan 0.000 0.218 104 P C 0.891 178.179 177.300 -0.020 0.000 1.146 104 P CA 0.819 63.900 63.100 -0.031 0.000 0.820 104 P CB 0.274 31.948 31.700 -0.044 0.000 0.778 105 L N -1.882 119.329 121.223 -0.021 0.000 2.095 105 L HA -0.078 4.262 4.340 -0.000 0.000 0.204 105 L C 2.286 179.156 176.870 -0.001 0.000 1.080 105 L CA 1.605 56.438 54.840 -0.010 0.000 0.759 105 L CB -1.338 40.714 42.059 -0.012 0.000 0.914 105 L HN -0.122 nan 8.230 nan 0.000 0.439 106 V N -0.866 119.049 119.914 0.002 0.000 2.825 106 V HA 0.222 4.342 4.120 -0.000 0.000 0.246 106 V C 1.375 177.474 176.094 0.008 0.000 1.068 106 V CA 0.239 62.544 62.300 0.008 0.000 1.088 106 V CB -0.934 30.898 31.823 0.014 0.000 0.733 106 V HN 0.304 nan 8.190 nan 0.000 0.468 107 A N 1.187 124.011 122.820 0.007 0.000 2.573 107 A HA 0.296 4.616 4.320 -0.000 0.000 0.266 107 A C 1.642 179.229 177.584 0.005 0.000 1.007 107 A CA 1.254 53.296 52.037 0.008 0.000 0.878 107 A CB -1.137 17.867 19.000 0.006 0.000 0.886 107 A HN 1.439 nan 8.150 nan 0.000 0.507 108 G N 1.899 110.702 108.800 0.005 0.000 2.284 108 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.216 108 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.216 108 G C 1.350 176.250 174.900 -0.002 0.000 1.009 108 G CA 0.609 45.710 45.100 0.001 0.000 0.625 108 G HN 0.759 nan 8.290 nan 0.000 0.501 109 R N 1.028 121.527 120.500 -0.001 0.000 2.091 109 R HA -0.089 4.251 4.340 -0.000 0.000 0.238 109 R C 2.768 179.056 176.300 -0.020 0.000 1.136 109 R CA 2.530 58.627 56.100 -0.006 0.000 0.959 109 R CB -0.855 29.441 30.300 -0.007 0.000 0.856 109 R HN 0.509 nan 8.270 nan 0.000 0.437 110 G N 1.363 110.150 108.800 -0.022 0.000 2.434 110 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.214 110 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.214 110 G C 1.451 176.336 174.900 -0.025 0.000 1.202 110 G CA 0.493 45.575 45.100 -0.030 0.000 0.788 110 G HN 0.150 nan 8.290 nan 0.000 0.539 111 I N 1.602 122.160 120.570 -0.019 0.000 2.194 111 I HA -0.192 3.978 4.170 -0.000 0.000 0.246 111 I C 2.905 179.009 176.117 -0.021 0.000 1.093 111 I CA 1.738 63.024 61.300 -0.023 0.000 1.355 111 I CB -1.344 36.646 38.000 -0.017 0.000 1.046 111 I HN 0.304 nan 8.210 nan 0.000 0.413 112 S N 0.745 116.438 115.700 -0.012 0.000 2.349 112 S HA -0.252 4.218 4.470 -0.000 0.000 0.216 112 S C 2.222 176.822 174.600 -0.000 0.000 1.033 112 S CA 1.733 59.931 58.200 -0.004 0.000 1.021 112 S CB -0.383 62.820 63.200 0.004 0.000 0.968 112 S HN 0.371 nan 8.310 nan 0.000 0.426 113 M N 0.374 119.976 119.600 0.004 0.000 2.147 113 M HA -0.255 4.225 4.480 -0.000 0.000 0.253 113 M C 2.220 178.526 176.300 0.011 0.000 1.075 113 M CA 2.410 57.721 55.300 0.019 0.000 1.085 113 M CB -0.316 32.280 32.600 -0.006 0.000 1.305 113 M HN 0.492 nan 8.290 nan 0.000 0.409 114 M N -0.989 118.605 119.600 -0.010 0.000 2.077 114 M HA -0.227 4.253 4.480 -0.000 0.000 0.261 114 M C 2.233 178.518 176.300 -0.025 0.000 1.070 114 M CA 1.810 57.098 55.300 -0.020 0.000 1.125 114 M CB -0.605 31.971 32.600 -0.038 0.000 1.339 114 M HN 0.211 nan 8.290 nan 0.000 0.409 115 K N 0.466 120.848 120.400 -0.030 0.000 2.113 115 K HA -0.186 4.134 4.320 -0.000 0.000 0.208 115 K C 1.642 178.230 176.600 -0.020 0.000 1.047 115 K CA 1.341 57.609 56.287 -0.032 0.000 0.928 115 K CB 0.077 32.558 32.500 -0.031 0.000 0.716 115 K HN 0.190 nan 8.250 nan 0.000 0.446 116 E N -0.478 119.717 120.200 -0.008 0.000 2.478 116 E HA -0.090 4.260 4.350 -0.000 0.000 0.198 116 E C 1.253 177.852 176.600 -0.001 0.000 1.046 116 E CA 0.705 57.104 56.400 -0.001 0.000 0.870 116 E CB 0.278 29.983 29.700 0.009 0.000 0.818 116 E HN 0.401 nan 8.360 nan 0.000 0.527 117 A N -0.327 122.491 122.820 -0.003 0.000 2.275 117 A HA 0.394 4.714 4.320 -0.000 0.000 0.212 117 A C 1.644 179.221 177.584 -0.012 0.000 1.201 117 A CA 0.863 52.898 52.037 -0.003 0.000 0.843 117 A CB 0.194 19.194 19.000 0.001 0.000 0.873 117 A HN 0.244 nan 8.150 nan 0.000 0.492 118 G N -0.830 107.958 108.800 -0.019 0.000 2.179 118 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.220 118 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.220 118 G C -0.005 174.872 174.900 -0.039 0.000 0.990 118 G CA -0.024 45.061 45.100 -0.025 0.000 0.646 118 G HN 0.304 nan 8.290 nan 0.000 0.517 119 I N 1.983 122.525 120.570 -0.047 0.000 2.471 119 I HA 0.246 4.416 4.170 -0.000 0.000 0.286 119 I C 0.839 176.898 176.117 -0.096 0.000 1.079 119 I CA -0.595 60.662 61.300 -0.072 0.000 1.398 119 I CB 0.796 38.753 38.000 -0.073 0.000 1.403 119 I HN 0.374 nan 8.210 nan 0.000 0.530 120 E N 6.107 126.231 120.200 -0.126 0.000 2.257 120 E HA 0.294 4.644 4.350 -0.000 0.000 0.278 120 E C -1.308 175.151 176.600 -0.236 0.000 1.049 120 E CA -0.328 55.980 56.400 -0.154 0.000 0.876 120 E CB 0.907 30.513 29.700 -0.158 0.000 1.035 120 E HN 0.402 nan 8.360 nan 0.000 0.419 121 V N 6.667 126.466 119.914 -0.192 0.000 2.378 121 V HA 0.379 4.499 4.120 -0.000 0.000 0.288 121 V C -0.019 175.962 176.094 -0.189 0.000 1.016 121 V CA -0.782 61.389 62.300 -0.215 0.000 0.840 121 V CB 1.339 33.086 31.823 -0.127 0.000 0.994 121 V HN 0.654 nan 8.190 nan 0.000 0.431 122 R N 3.652 123.994 120.500 -0.263 0.000 2.532 122 R HA 0.718 5.058 4.340 -0.000 0.000 0.295 122 R C -0.668 175.640 176.300 0.012 0.000 0.968 122 R CA -0.579 55.464 56.100 -0.096 0.000 0.916 122 R CB 2.475 32.749 30.300 -0.044 0.000 1.124 122 R HN 0.717 nan 8.270 nan 0.000 0.463 123 E N -0.710 119.524 120.200 0.057 0.000 2.336 123 E HA 0.446 4.796 4.350 -0.000 0.000 0.267 123 E C 0.173 176.829 176.600 0.092 0.000 0.906 123 E CA -0.558 55.885 56.400 0.071 0.000 0.781 123 E CB 2.142 31.866 29.700 0.039 0.000 1.261 123 E HN 0.749 nan 8.360 nan 0.000 0.436 124 G N 1.053 109.907 108.800 0.090 0.000 2.176 124 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.253 124 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.253 124 G C 0.056 175.013 174.900 0.095 0.000 0.979 124 G CA -0.211 44.939 45.100 0.083 0.000 0.641 124 G HN 0.359 nan 8.290 nan 0.000 0.530 125 I N 1.151 121.800 120.570 0.131 0.000 2.680 125 I HA 0.307 4.477 4.170 -0.000 0.000 0.286 125 I C 1.367 177.542 176.117 0.096 0.000 1.144 125 I CA 0.308 61.684 61.300 0.127 0.000 1.370 125 I CB 0.445 38.554 38.000 0.183 0.000 1.420 125 I HN 0.262 nan 8.210 nan 0.000 0.540 126 L N 4.639 125.903 121.223 0.068 0.000 4.696 126 L HA -0.324 4.016 4.340 -0.000 0.000 0.425 126 L C 1.897 178.799 176.870 0.053 0.000 1.115 126 L CA 1.313 56.183 54.840 0.051 0.000 0.996 126 L CB -2.042 40.041 42.059 0.040 0.000 2.077 126 L HN 0.750 nan 8.230 nan 0.000 0.792 127 A N -1.160 121.697 122.820 0.062 0.000 2.194 127 A HA -0.247 4.073 4.320 -0.000 0.000 0.220 127 A C 1.901 179.516 177.584 0.051 0.000 1.162 127 A CA 2.076 54.149 52.037 0.059 0.000 0.674 127 A CB -0.383 18.653 19.000 0.060 0.000 0.789 127 A HN 0.614 nan 8.150 nan 0.000 0.470 128 D N -0.889 119.538 120.400 0.045 0.000 2.149 128 D HA -0.099 4.541 4.640 -0.000 0.000 0.201 128 D C 2.269 178.593 176.300 0.039 0.000 0.972 128 D CA 1.349 55.373 54.000 0.041 0.000 0.835 128 D CB 0.005 40.826 40.800 0.035 0.000 0.966 128 D HN 0.633 nan 8.370 nan 0.000 0.476 129 Q N -0.637 119.185 119.800 0.036 0.000 2.297 129 Q HA 0.219 4.559 4.340 -0.000 0.000 0.203 129 Q C 1.565 177.585 176.000 0.034 0.000 0.931 129 Q CA 0.676 56.498 55.803 0.031 0.000 0.885 129 Q CB 0.288 29.040 28.738 0.023 0.000 0.991 129 Q HN 0.155 nan 8.270 nan 0.000 0.498 130 A N 0.703 123.547 122.820 0.040 0.000 2.250 130 A HA -0.085 4.235 4.320 -0.000 0.000 0.208 130 A C 1.405 179.021 177.584 0.053 0.000 1.254 130 A CA 0.842 52.905 52.037 0.043 0.000 0.858 130 A CB -0.121 18.910 19.000 0.051 0.000 0.820 130 A HN 0.196 nan 8.150 nan 0.000 0.484 131 E N -0.197 120.036 120.200 0.054 0.000 2.288 131 E HA 0.070 4.420 4.350 -0.000 0.000 0.200 131 E C 2.069 178.709 176.600 0.066 0.000 0.880 131 E CA 0.393 56.834 56.400 0.067 0.000 0.971 131 E CB 0.008 29.746 29.700 0.064 0.000 0.954 131 E HN 0.508 nan 8.360 nan 0.000 0.489 132 R N 0.631 121.161 120.500 0.051 0.000 2.096 132 R HA -0.084 4.256 4.340 -0.000 0.000 0.235 132 R C 2.175 178.492 176.300 0.028 0.000 1.127 132 R CA 1.066 57.191 56.100 0.042 0.000 0.968 132 R CB -0.655 29.665 30.300 0.033 0.000 0.861 132 R HN 0.153 nan 8.270 nan 0.000 0.440 133 L N 1.843 123.081 121.223 0.024 0.000 2.011 133 L HA -0.246 4.094 4.340 -0.000 0.000 0.225 133 L C -0.151 176.722 176.870 0.004 0.000 1.084 133 L CA 1.976 56.821 54.840 0.008 0.000 0.791 133 L CB -0.486 41.577 42.059 0.007 0.000 0.898 133 L HN 0.203 nan 8.230 nan 0.000 0.440 134 N N -0.945 117.779 118.700 0.040 0.000 2.844 134 N HA 0.181 4.921 4.740 -0.000 0.000 0.268 134 N C 0.416 176.002 175.510 0.127 0.000 1.574 134 N CA -0.172 52.924 53.050 0.076 0.000 0.838 134 N CB 0.777 39.331 38.487 0.111 0.000 1.177 134 N HN 0.269 nan 8.380 nan 0.000 0.495 135 E N 1.343 121.568 120.200 0.042 0.000 2.001 135 E HA -0.192 4.158 4.350 -0.000 0.000 0.195 135 E C 1.053 177.684 176.600 0.053 0.000 1.002 135 E CA 1.205 57.636 56.400 0.052 0.000 0.819 135 E CB 0.099 29.785 29.700 -0.024 0.000 0.769 135 E HN 0.399 nan 8.360 nan 0.000 0.454 136 K N 0.278 120.538 120.400 -0.232 0.000 2.107 136 K HA -0.232 4.088 4.320 -0.000 0.000 0.211 136 K C 2.120 178.815 176.600 0.158 0.000 1.049 136 K CA 1.785 57.933 56.287 -0.230 0.000 0.927 136 K CB -0.413 31.856 32.500 -0.385 0.000 0.714 136 K HN 0.132 nan 8.250 nan 0.000 0.452 137 F N 1.394 121.360 119.950 0.027 0.000 2.163 137 F HA -0.121 4.406 4.527 -0.000 0.000 0.297 137 F C 1.742 177.649 175.800 0.179 0.000 1.094 137 F CA 0.941 58.994 58.000 0.088 0.000 1.290 137 F CB -0.059 38.954 39.000 0.022 0.000 1.017 137 F HN -0.169 nan 8.300 nan 0.000 0.483 138 L N 0.313 121.632 121.223 0.161 0.000 2.141 138 L HA -0.167 4.173 4.340 -0.000 0.000 0.209 138 L C 2.395 179.298 176.870 0.054 0.000 1.094 138 L CA 1.966 56.837 54.840 0.052 0.000 0.763 138 L CB -1.633 40.530 42.059 0.173 0.000 0.908 138 L HN 0.322 nan 8.230 nan 0.000 0.437 139 H N -1.124 118.008 119.070 0.104 0.000 2.319 139 H HA -0.275 4.281 4.556 -0.000 0.000 0.299 139 H C 2.139 177.532 175.328 0.108 0.000 1.092 139 H CA 1.971 58.108 56.048 0.149 0.000 1.302 139 H CB -0.326 29.633 29.762 0.328 0.000 1.373 139 H HN 0.239 nan 8.280 nan 0.000 0.497 140 F N 0.337 120.245 119.950 -0.071 0.000 2.095 140 F HA -0.220 4.307 4.527 -0.000 0.000 0.298 140 F C 1.980 177.639 175.800 -0.235 0.000 1.104 140 F CA 1.606 59.517 58.000 -0.147 0.000 1.232 140 F CB -0.188 38.764 39.000 -0.080 0.000 0.987 140 F HN 0.202 nan 8.300 nan 0.000 0.475 141 M N -0.149 119.294 119.600 -0.261 0.000 2.319 141 M HA -0.043 4.437 4.480 -0.000 0.000 0.265 141 M C 2.002 178.144 176.300 -0.263 0.000 1.068 141 M CA 1.271 56.375 55.300 -0.327 0.000 1.118 141 M CB -1.107 31.298 32.600 -0.325 0.000 1.395 141 M HN 0.162 nan 8.290 nan 0.000 0.435 142 R N -0.294 120.073 120.500 -0.221 0.000 2.210 142 R HA 0.033 4.373 4.340 -0.000 0.000 0.203 142 R C 1.722 177.895 176.300 -0.212 0.000 1.010 142 R CA 1.651 57.650 56.100 -0.169 0.000 1.008 142 R CB -0.122 30.119 30.300 -0.099 0.000 0.923 142 R HN 0.505 nan 8.270 nan 0.000 0.469 143 T N -4.509 109.852 114.554 -0.322 0.000 3.058 143 T HA 0.184 4.534 4.350 -0.000 0.000 0.278 143 T C 1.259 175.766 174.700 -0.322 0.000 0.974 143 T CA 0.508 62.416 62.100 -0.320 0.000 0.893 143 T CB 0.997 69.599 68.868 -0.443 0.000 1.138 143 T HN 0.276 nan 8.240 nan 0.000 0.529 144 G N 1.653 110.193 108.800 -0.433 0.000 2.200 144 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.268 144 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.268 144 G C -0.057 174.617 174.900 -0.376 0.000 0.986 144 G CA 0.903 45.699 45.100 -0.505 0.000 0.677 144 G HN 0.669 nan 8.290 nan 0.000 0.532 145 L N -0.279 120.799 121.223 -0.241 0.000 2.333 145 L HA 0.506 4.846 4.340 -0.000 0.000 0.269 145 L C -2.073 175.001 176.870 0.341 0.000 1.010 145 L CA -2.564 52.303 54.840 0.044 0.000 0.818 145 L CB 2.085 44.183 42.059 0.065 0.000 1.306 145 L HN -0.169 nan 8.230 nan 0.000 0.430 146 P HA -0.001 nan 4.420 nan 0.000 0.274 146 P C -1.468 176.173 177.300 0.568 0.000 1.260 146 P CA -0.089 63.328 63.100 0.527 0.000 0.793 146 P CB 0.344 32.251 31.700 0.346 0.000 1.048 147 Y N 0.725 121.222 120.300 0.328 0.000 2.367 147 Y HA 0.373 4.923 4.550 -0.000 0.000 0.342 147 Y C -0.706 175.231 175.900 0.062 0.000 0.979 147 Y CA -0.419 57.731 58.100 0.082 0.000 1.161 147 Y CB 0.353 38.871 38.460 0.097 0.000 1.155 147 Y HN -0.032 nan 8.280 nan 0.000 0.503 148 V N 6.015 125.838 119.914 -0.153 0.000 2.465 148 V HA 0.332 4.452 4.120 -0.000 0.000 0.279 148 V C -0.057 175.921 176.094 -0.195 0.000 1.045 148 V CA -0.391 61.843 62.300 -0.110 0.000 0.938 148 V CB 1.493 33.298 31.823 -0.030 0.000 0.986 148 V HN 0.820 nan 8.190 nan 0.000 0.467 149 T N 6.475 120.929 114.554 -0.166 0.000 2.809 149 T HA 0.564 4.914 4.350 -0.000 0.000 0.284 149 T C -0.437 174.076 174.700 -0.312 0.000 0.992 149 T CA -0.321 61.694 62.100 -0.142 0.000 0.957 149 T CB 0.819 69.713 68.868 0.044 0.000 0.942 149 T HN 0.357 nan 8.240 nan 0.000 0.439 150 L N 3.976 124.980 121.223 -0.366 0.000 2.264 150 L HA 0.613 4.953 4.340 -0.000 0.000 0.289 150 L C 0.235 176.824 176.870 -0.469 0.000 1.044 150 L CA -0.735 53.818 54.840 -0.478 0.000 0.807 150 L CB 0.897 42.596 42.059 -0.599 0.000 1.192 150 L HN 0.294 nan 8.230 nan 0.000 0.425 151 K N 3.382 123.546 120.400 -0.394 0.000 2.426 151 K HA 0.914 5.234 4.320 -0.000 0.000 0.251 151 K C -1.809 174.796 176.600 0.007 0.000 0.941 151 K CA -0.381 55.770 56.287 -0.226 0.000 0.808 151 K CB 2.639 34.971 32.500 -0.279 0.000 1.265 151 K HN 0.690 nan 8.250 nan 0.000 0.432 152 A N 1.341 124.277 122.820 0.192 0.000 2.601 152 A HA 0.763 5.083 4.320 -0.000 0.000 0.291 152 A C -1.883 175.851 177.584 0.250 0.000 1.075 152 A CA -0.409 51.762 52.037 0.223 0.000 0.671 152 A CB 1.442 20.531 19.000 0.149 0.000 1.277 152 A HN 0.740 nan 8.150 nan 0.000 0.417 153 A N 0.070 122.997 122.820 0.177 0.000 2.335 153 A HA 0.940 5.260 4.320 -0.000 0.000 0.304 153 A C -0.160 177.504 177.584 0.132 0.000 1.118 153 A CA 0.213 52.366 52.037 0.193 0.000 0.757 153 A CB 0.822 19.914 19.000 0.153 0.000 1.188 153 A HN 2.559 nan 8.150 nan 0.000 0.460 154 A N 1.432 124.354 122.820 0.170 0.000 2.569 154 A HA 0.877 5.197 4.320 -0.000 0.000 0.290 154 A C 0.387 178.105 177.584 0.223 0.000 1.136 154 A CA 0.079 52.214 52.037 0.163 0.000 0.710 154 A CB 0.592 19.652 19.000 0.100 0.000 1.303 154 A HN 2.023 nan 8.150 nan 0.000 0.413 155 S N -0.402 115.362 115.700 0.106 0.000 2.612 155 S HA 0.203 4.673 4.470 -0.000 0.000 0.253 155 S C 1.000 175.586 174.600 -0.022 0.000 1.346 155 S CA 0.397 58.630 58.200 0.055 0.000 0.976 155 S CB 0.094 63.299 63.200 0.008 0.000 0.949 155 S HN 1.584 nan 8.310 nan 0.000 0.584 156 L N 0.625 121.797 121.223 -0.085 0.000 2.376 156 L HA 0.062 4.402 4.340 -0.000 0.000 0.219 156 L C 1.326 178.005 176.870 -0.319 0.000 1.133 156 L CA 1.755 56.450 54.840 -0.240 0.000 0.816 156 L CB -0.852 41.124 42.059 -0.139 0.000 0.933 156 L HN 0.879 nan 8.230 nan 0.000 0.449 157 D N -1.692 118.592 120.400 -0.194 0.000 2.491 157 D HA 0.136 4.776 4.640 -0.000 0.000 0.228 157 D C 1.086 177.294 176.300 -0.153 0.000 1.183 157 D CA 0.361 54.260 54.000 -0.168 0.000 0.827 157 D CB -0.299 40.440 40.800 -0.101 0.000 0.989 157 D HN 0.263 nan 8.370 nan 0.000 0.494 158 G N 1.389 110.075 108.800 -0.191 0.000 2.314 158 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.292 158 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.292 158 G C -0.233 174.627 174.900 -0.068 0.000 1.059 158 G CA -0.115 44.914 45.100 -0.118 0.000 0.982 158 G HN 0.256 nan 8.290 nan 0.000 0.505 159 K N 0.109 120.485 120.400 -0.040 0.000 2.323 159 K HA 0.499 4.819 4.320 -0.000 0.000 0.259 159 K C 1.290 177.891 176.600 0.002 0.000 0.947 159 K CA -0.926 55.349 56.287 -0.020 0.000 0.819 159 K CB 1.466 33.956 32.500 -0.017 0.000 1.109 159 K HN 0.498 nan 8.250 nan 0.000 0.429 160 I N -1.024 119.547 120.570 0.003 0.000 3.861 160 I HA 0.440 4.610 4.170 -0.000 0.000 0.329 160 I C 0.244 176.375 176.117 0.022 0.000 1.321 160 I CA -0.318 60.995 61.300 0.021 0.000 1.126 160 I CB 0.437 38.450 38.000 0.021 0.000 1.018 160 I HN 0.376 nan 8.210 nan 0.000 0.407 161 A N 0.699 123.527 122.820 0.013 0.000 2.522 161 A HA 0.568 4.888 4.320 -0.000 0.000 0.291 161 A C -0.131 177.454 177.584 0.002 0.000 1.039 161 A CA -0.090 51.950 52.037 0.005 0.000 0.643 161 A CB 0.363 19.361 19.000 -0.004 0.000 1.310 161 A HN 0.314 nan 8.150 nan 0.000 0.436 162 T N -1.306 113.246 114.554 -0.004 0.000 2.862 162 T HA 0.552 4.902 4.350 -0.000 0.000 0.276 162 T C 1.310 176.010 174.700 0.000 0.000 0.974 162 T CA 0.454 62.553 62.100 -0.003 0.000 0.966 162 T CB 1.026 69.890 68.868 -0.006 0.000 1.072 162 T HN 0.994 nan 8.240 nan 0.000 0.538 163 S N 0.435 116.137 115.700 0.005 0.000 2.407 163 S HA -0.138 4.332 4.470 -0.000 0.000 0.235 163 S C 1.929 176.534 174.600 0.008 0.000 1.036 163 S CA 1.951 60.160 58.200 0.015 0.000 1.013 163 S CB -0.930 62.281 63.200 0.017 0.000 0.820 163 S HN 0.884 nan 8.310 nan 0.000 0.476 164 T N 0.137 114.690 114.554 -0.003 0.000 3.118 164 T HA 0.309 4.659 4.350 -0.000 0.000 0.260 164 T C 1.478 176.168 174.700 -0.017 0.000 1.139 164 T CA 0.741 62.835 62.100 -0.010 0.000 1.085 164 T CB -0.105 68.753 68.868 -0.017 0.000 0.934 164 T HN 0.631 nan 8.240 nan 0.000 0.518 165 G N 2.241 111.032 108.800 -0.015 0.000 2.143 165 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.249 165 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.249 165 G C -0.156 174.724 174.900 -0.034 0.000 0.981 165 G CA 0.025 45.113 45.100 -0.020 0.000 0.665 165 G HN 0.576 nan 8.290 nan 0.000 0.528 166 D N 0.418 120.795 120.400 -0.037 0.000 2.339 166 D HA 0.518 5.158 4.640 -0.000 0.000 0.256 166 D C 0.864 177.130 176.300 -0.057 0.000 1.214 166 D CA 0.652 54.617 54.000 -0.058 0.000 0.877 166 D CB 0.915 41.682 40.800 -0.055 0.000 1.111 166 D HN 0.048 nan 8.370 nan 0.000 0.478 167 S N 3.537 119.184 115.700 -0.088 0.000 2.581 167 S HA 0.103 4.573 4.470 -0.000 0.000 0.245 167 S C 0.160 174.668 174.600 -0.153 0.000 1.115 167 S CA -0.656 57.503 58.200 -0.068 0.000 1.093 167 S CB -0.287 62.890 63.200 -0.038 0.000 0.853 167 S HN 0.389 nan 8.310 nan 0.000 0.479 168 K N 2.010 122.285 120.400 -0.208 0.000 2.256 168 K HA -0.058 4.262 4.320 -0.000 0.000 0.213 168 K C -0.924 175.589 176.600 -0.146 0.000 1.182 168 K CA 0.150 56.210 56.287 -0.378 0.000 1.224 168 K CB -0.838 31.523 32.500 -0.232 0.000 1.197 168 K HN 0.596 nan 8.250 nan 0.000 0.223 169 W N 0.279 121.583 121.300 0.006 0.000 3.349 169 W HA -0.255 4.405 4.660 -0.000 0.000 0.446 169 W C 0.484 177.011 176.519 0.013 0.000 1.804 169 W CA -0.756 56.593 57.345 0.007 0.000 0.522 169 W CB -1.743 27.720 29.460 0.005 0.000 2.872 169 W HN 0.455 nan 8.180 nan 0.000 0.543 170 I N 0.235 120.980 120.570 0.292 0.000 2.270 170 I HA -0.068 4.102 4.170 -0.000 0.000 0.239 170 I C 1.981 178.193 176.117 0.157 0.000 1.080 170 I CA 1.368 62.774 61.300 0.176 0.000 1.383 170 I CB -0.304 37.781 38.000 0.142 0.000 1.097 170 I HN 0.291 nan 8.210 nan 0.000 0.420 171 T N 0.688 115.331 114.554 0.148 0.000 2.849 171 T HA 0.201 4.551 4.350 -0.000 0.000 0.284 171 T C 0.500 175.211 174.700 0.019 0.000 1.004 171 T CA -0.517 61.635 62.100 0.088 0.000 1.021 171 T CB 0.750 69.652 68.868 0.057 0.000 1.013 171 T HN 0.357 nan 8.240 nan 0.000 0.527 172 S N 2.454 118.147 115.700 -0.012 0.000 2.641 172 S HA 0.257 4.727 4.470 -0.000 0.000 0.261 172 S C 1.261 175.761 174.600 -0.166 0.000 1.257 172 S CA -0.597 57.564 58.200 -0.066 0.000 0.983 172 S CB 0.373 63.557 63.200 -0.027 0.000 0.990 172 S HN 0.781 nan 8.310 nan 0.000 0.572 173 E N 0.710 120.801 120.200 -0.181 0.000 2.077 173 E HA -0.142 4.208 4.350 -0.000 0.000 0.193 173 E C 2.399 178.896 176.600 -0.172 0.000 0.989 173 E CA 1.382 57.646 56.400 -0.226 0.000 0.800 173 E CB -0.728 28.868 29.700 -0.173 0.000 0.746 173 E HN 0.791 nan 8.360 nan 0.000 0.452 174 A N 1.553 124.308 122.820 -0.109 0.000 1.978 174 A HA -0.121 4.199 4.320 -0.000 0.000 0.220 174 A C 2.398 179.928 177.584 -0.090 0.000 1.170 174 A CA 1.838 53.830 52.037 -0.076 0.000 0.636 174 A CB -0.476 18.505 19.000 -0.033 0.000 0.810 174 A HN 0.281 nan 8.150 nan 0.000 0.448 175 A N -0.193 122.555 122.820 -0.121 0.000 1.858 175 A HA -0.138 4.182 4.320 -0.000 0.000 0.216 175 A C 2.166 179.549 177.584 -0.335 0.000 1.190 175 A CA 1.925 53.828 52.037 -0.223 0.000 0.617 175 A CB -0.465 18.410 19.000 -0.210 0.000 0.827 175 A HN 0.415 nan 8.150 nan 0.000 0.443 176 R N -0.224 120.109 120.500 -0.279 0.000 2.122 176 R HA -0.154 4.186 4.340 -0.000 0.000 0.236 176 R C 2.478 178.679 176.300 -0.165 0.000 1.129 176 R CA 1.876 57.831 56.100 -0.240 0.000 0.925 176 R CB -0.742 29.393 30.300 -0.275 0.000 0.850 176 R HN 0.605 nan 8.270 nan 0.000 0.431 177 Q N 0.355 120.070 119.800 -0.141 0.000 2.082 177 Q HA -0.262 4.078 4.340 -0.000 0.000 0.211 177 Q C 1.949 177.909 176.000 -0.067 0.000 1.002 177 Q CA 2.187 57.934 55.803 -0.093 0.000 0.868 177 Q CB -0.679 28.010 28.738 -0.082 0.000 0.931 177 Q HN 0.454 nan 8.270 nan 0.000 0.414 178 D N -0.269 120.096 120.400 -0.058 0.000 2.078 178 D HA -0.124 4.516 4.640 -0.000 0.000 0.193 178 D C 1.781 178.131 176.300 0.083 0.000 0.990 178 D CA 1.904 55.915 54.000 0.018 0.000 0.827 178 D CB -0.211 40.651 40.800 0.104 0.000 0.975 178 D HN 0.236 nan 8.370 nan 0.000 0.451 179 A N 0.127 122.960 122.820 0.021 0.000 1.986 179 A HA -0.258 4.062 4.320 -0.000 0.000 0.220 179 A C 2.170 179.871 177.584 0.195 0.000 1.171 179 A CA 1.561 53.715 52.037 0.196 0.000 0.640 179 A CB -0.678 18.277 19.000 -0.075 0.000 0.811 179 A HN 0.308 nan 8.150 nan 0.000 0.451 180 Q N -0.269 119.556 119.800 0.042 0.000 2.077 180 Q HA -0.309 4.031 4.340 -0.000 0.000 0.206 180 Q C 2.388 178.350 176.000 -0.064 0.000 0.989 180 Q CA 2.237 58.038 55.803 -0.003 0.000 0.853 180 Q CB -0.572 28.144 28.738 -0.037 0.000 0.907 180 Q HN 1.023 nan 8.270 nan 0.000 0.418 181 Q N -0.619 119.116 119.800 -0.109 0.000 2.156 181 Q HA -0.245 4.095 4.340 -0.000 0.000 0.211 181 Q C 1.703 177.498 176.000 -0.341 0.000 0.995 181 Q CA 2.134 57.794 55.803 -0.238 0.000 0.877 181 Q CB -0.772 27.770 28.738 -0.326 0.000 0.920 181 Q HN 0.449 nan 8.270 nan 0.000 0.416 182 Y N 0.784 120.948 120.300 -0.226 0.000 2.333 182 Y HA -0.042 4.508 4.550 -0.000 0.000 0.290 182 Y C 2.258 177.871 175.900 -0.479 0.000 1.144 182 Y CA 1.224 59.097 58.100 -0.377 0.000 1.228 182 Y CB 0.031 38.188 38.460 -0.504 0.000 0.985 182 Y HN 0.103 nan 8.280 nan 0.000 0.542 183 R N 0.220 120.524 120.500 -0.327 0.000 2.328 183 R HA -0.116 4.224 4.340 -0.000 0.000 0.207 183 R C 1.955 178.187 176.300 -0.115 0.000 1.056 183 R CA 1.020 57.001 56.100 -0.198 0.000 1.016 183 R CB -0.056 30.196 30.300 -0.080 0.000 0.872 183 R HN 0.316 nan 8.270 nan 0.000 0.471 184 K N 0.452 120.760 120.400 -0.153 0.000 2.335 184 K HA -0.003 4.317 4.320 -0.000 0.000 0.195 184 K C 1.300 177.799 176.600 -0.168 0.000 1.058 184 K CA 1.011 57.216 56.287 -0.137 0.000 0.988 184 K CB 0.534 32.950 32.500 -0.140 0.000 0.880 184 K HN 0.056 nan 8.250 nan 0.000 0.513 185 T N -0.954 113.449 114.554 -0.252 0.000 3.107 185 T HA 0.137 4.487 4.350 -0.000 0.000 0.249 185 T C 0.312 174.756 174.700 -0.426 0.000 1.096 185 T CA -0.194 61.703 62.100 -0.339 0.000 1.012 185 T CB -0.207 68.404 68.868 -0.430 0.000 0.977 185 T HN 0.065 nan 8.240 nan 0.000 0.527 186 H N 0.675 119.700 119.070 -0.076 0.000 2.569 186 H HA 0.409 4.965 4.556 -0.000 0.000 0.357 186 H C 0.412 175.714 175.328 -0.042 0.000 1.153 186 H CA -0.710 55.323 56.048 -0.025 0.000 1.193 186 H CB 2.219 32.000 29.762 0.033 0.000 1.602 186 H HN 0.009 nan 8.280 nan 0.000 0.523 187 Q N 1.035 120.892 119.800 0.095 0.000 2.291 187 Q HA -0.025 4.315 4.340 -0.000 0.000 0.205 187 Q C -0.032 175.955 176.000 -0.022 0.000 0.970 187 Q CA 0.772 56.575 55.803 -0.000 0.000 0.876 187 Q CB 0.456 29.177 28.738 -0.028 0.000 0.935 187 Q HN 0.653 nan 8.270 nan 0.000 0.455 188 S N -1.881 113.839 115.700 0.033 0.000 2.596 188 S HA 0.644 5.114 4.470 -0.000 0.000 0.270 188 S C -0.815 173.820 174.600 0.058 0.000 1.155 188 S CA -1.073 57.117 58.200 -0.018 0.000 0.827 188 S CB 1.278 64.429 63.200 -0.080 0.000 1.130 188 S HN 0.102 nan 8.310 nan 0.000 0.467 189 I N 1.220 121.812 120.570 0.038 0.000 2.569 189 I HA 0.589 4.759 4.170 -0.000 0.000 0.296 189 I C -1.103 175.030 176.117 0.027 0.000 1.028 189 I CA -0.880 60.481 61.300 0.102 0.000 1.082 189 I CB 1.948 40.026 38.000 0.130 0.000 1.264 189 I HN 0.612 nan 8.210 nan 0.000 0.429 190 L N 6.402 127.620 121.223 -0.008 0.000 2.401 190 L HA 0.805 5.145 4.340 -0.000 0.000 0.266 190 L C -1.502 175.341 176.870 -0.046 0.000 0.991 190 L CA -0.524 54.309 54.840 -0.012 0.000 0.818 190 L CB 2.146 44.204 42.059 -0.000 0.000 1.321 190 L HN 0.363 nan 8.230 nan 0.000 0.413 191 V N 2.236 122.144 119.914 -0.009 0.000 3.087 191 V HA 0.642 4.762 4.120 -0.000 0.000 0.306 191 V C 0.060 176.153 176.094 -0.001 0.000 1.187 191 V CA -0.567 61.712 62.300 -0.035 0.000 0.999 191 V CB 2.057 33.863 31.823 -0.028 0.000 1.049 191 V HN 0.821 nan 8.190 nan 0.000 0.431 192 G N 0.247 109.034 108.800 -0.022 0.000 2.389 192 G HA2 0.499 4.459 3.960 -0.000 0.000 0.317 192 G HA3 0.499 4.459 3.960 -0.000 0.000 0.317 192 G C 1.141 176.041 174.900 0.001 0.000 1.137 192 G CA 0.154 45.254 45.100 0.000 0.000 0.870 192 G HN 1.327 nan 8.290 nan 0.000 0.496 193 V N 1.288 121.211 119.914 0.016 0.000 2.370 193 V HA -0.176 3.944 4.120 -0.000 0.000 0.252 193 V C 2.581 178.676 176.094 0.001 0.000 1.068 193 V CA 2.467 64.775 62.300 0.014 0.000 1.061 193 V CB -1.258 30.577 31.823 0.020 0.000 0.656 193 V HN 0.798 nan 8.190 nan 0.000 0.455 194 G N -0.539 108.257 108.800 -0.007 0.000 2.517 194 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.222 194 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.222 194 G C 1.431 176.320 174.900 -0.018 0.000 1.109 194 G CA 1.749 46.840 45.100 -0.014 0.000 0.746 194 G HN 0.568 nan 8.290 nan 0.000 0.576 195 T N 0.041 114.582 114.554 -0.021 0.000 2.815 195 T HA 0.019 4.369 4.350 -0.000 0.000 0.244 195 T C 2.477 177.171 174.700 -0.011 0.000 1.040 195 T CA 0.790 62.876 62.100 -0.023 0.000 1.176 195 T CB -0.435 68.413 68.868 -0.033 0.000 0.880 195 T HN 0.001 nan 8.240 nan 0.000 0.414 196 V N 3.622 123.535 119.914 -0.002 0.000 2.240 196 V HA -0.409 3.711 4.120 -0.000 0.000 0.257 196 V C 2.592 178.690 176.094 0.006 0.000 1.067 196 V CA 2.715 65.021 62.300 0.009 0.000 1.067 196 V CB -0.956 30.878 31.823 0.019 0.000 0.683 196 V HN 0.667 nan 8.190 nan 0.000 0.461 197 K N 1.484 121.887 120.400 0.004 0.000 2.089 197 K HA -0.171 4.149 4.320 -0.000 0.000 0.210 197 K C 1.730 178.326 176.600 -0.006 0.000 1.048 197 K CA 2.158 58.446 56.287 0.001 0.000 0.926 197 K CB -0.542 31.957 32.500 -0.000 0.000 0.714 197 K HN 0.487 nan 8.250 nan 0.000 0.448 198 A N 0.714 123.526 122.820 -0.013 0.000 2.411 198 A HA 0.108 4.428 4.320 -0.000 0.000 0.251 198 A C -0.055 177.511 177.584 -0.030 0.000 1.317 198 A CA 0.345 52.368 52.037 -0.022 0.000 0.904 198 A CB 0.080 19.064 19.000 -0.027 0.000 0.993 198 A HN 0.463 nan 8.150 nan 0.000 0.504 199 D N -2.413 117.975 120.400 -0.020 0.000 2.153 199 D HA 0.008 4.648 4.640 -0.000 0.000 0.388 199 D C 0.471 176.769 176.300 -0.002 0.000 1.014 199 D CA 0.425 54.412 54.000 -0.021 0.000 0.906 199 D CB -0.153 40.637 40.800 -0.016 0.000 1.552 199 D HN 0.271 nan 8.370 nan 0.000 0.522 200 N N 0.886 119.591 118.700 0.007 0.000 2.708 200 N HA -0.117 4.623 4.740 -0.000 0.000 0.249 200 N C -2.438 173.089 175.510 0.029 0.000 1.097 200 N CA 0.610 53.671 53.050 0.019 0.000 0.710 200 N CB -0.594 37.903 38.487 0.017 0.000 1.032 200 N HN 0.168 nan 8.380 nan 0.000 0.551 201 P HA -0.006 nan 4.420 nan 0.000 0.264 201 P C 0.609 177.938 177.300 0.048 0.000 1.183 201 P CA 0.141 63.269 63.100 0.046 0.000 0.763 201 P CB 1.446 33.174 31.700 0.047 0.000 0.807 202 S N 3.304 119.037 115.700 0.054 0.000 2.338 202 S HA -0.081 4.389 4.470 -0.000 0.000 0.218 202 S C 1.121 175.749 174.600 0.047 0.000 1.032 202 S CA 0.809 59.039 58.200 0.049 0.000 0.999 202 S CB -0.945 62.284 63.200 0.049 0.000 0.905 202 S HN 0.555 nan 8.310 nan 0.000 0.439 203 L N 1.124 122.380 121.223 0.056 0.000 3.487 203 L HA -0.116 4.224 4.340 -0.000 0.000 0.450 203 L C -0.440 176.456 176.870 0.043 0.000 1.290 203 L CA 0.252 55.128 54.840 0.059 0.000 0.874 203 L CB -2.795 39.295 42.059 0.051 0.000 1.804 203 L HN 0.554 nan 8.230 nan 0.000 0.831 204 T N -3.186 111.390 114.554 0.038 0.000 2.864 204 T HA 0.395 4.745 4.350 -0.000 0.000 0.299 204 T C 0.108 174.815 174.700 0.013 0.000 1.011 204 T CA -0.560 61.552 62.100 0.020 0.000 0.975 204 T CB 1.491 70.370 68.868 0.018 0.000 0.962 204 T HN 0.299 nan 8.240 nan 0.000 0.448 205 C N 5.194 124.493 119.300 -0.000 0.000 2.583 205 C HA 0.190 4.650 4.460 -0.000 0.000 0.399 205 C C 1.201 176.179 174.990 -0.020 0.000 1.437 205 C CA -0.225 58.782 59.018 -0.018 0.000 1.423 205 C CB -1.769 25.947 27.740 -0.040 0.000 2.366 205 C HN 0.907 nan 8.230 nan 0.000 0.624 206 R N 5.375 125.865 120.500 -0.017 0.000 4.306 206 R HA 0.360 4.700 4.340 -0.000 0.000 0.266 206 R C 0.104 176.386 176.300 -0.030 0.000 1.624 206 R CA -0.186 55.903 56.100 -0.018 0.000 1.487 206 R CB 0.093 30.388 30.300 -0.009 0.000 1.441 206 R HN 0.705 nan 8.270 nan 0.000 0.750 207 L N -0.131 121.069 121.223 -0.039 0.000 2.687 207 L HA 0.481 4.821 4.340 -0.000 0.000 0.252 207 L C -1.199 175.646 176.870 -0.042 0.000 1.115 207 L CA -2.192 52.619 54.840 -0.048 0.000 0.893 207 L CB 0.332 42.351 42.059 -0.066 0.000 1.670 207 L HN 0.099 nan 8.230 nan 0.000 0.531 208 P HA -0.104 nan 4.420 nan 0.000 0.217 208 P C -0.779 176.501 177.300 -0.034 0.000 1.235 208 P CA 0.310 63.387 63.100 -0.038 0.000 0.726 208 P CB -0.113 31.562 31.700 -0.042 0.000 0.664 209 N N 1.110 119.790 118.700 -0.034 0.000 2.434 209 N HA -0.016 4.724 4.740 -0.000 0.000 0.273 209 N C 1.049 176.540 175.510 -0.033 0.000 1.210 209 N CA 0.040 53.072 53.050 -0.029 0.000 0.992 209 N CB 0.270 38.741 38.487 -0.026 0.000 1.355 209 N HN 0.098 nan 8.380 nan 0.000 0.495 210 V N 0.941 120.837 119.914 -0.030 0.000 2.343 210 V HA -0.241 3.879 4.120 -0.000 0.000 0.247 210 V C 1.702 177.778 176.094 -0.030 0.000 1.051 210 V CA 1.900 64.180 62.300 -0.033 0.000 1.036 210 V CB -1.993 29.815 31.823 -0.026 0.000 0.654 210 V HN 0.790 nan 8.190 nan 0.000 0.451 211 T N -2.569 111.973 114.554 -0.020 0.000 3.650 211 T HA -0.291 4.059 4.350 -0.000 0.000 0.354 211 T C 0.183 174.872 174.700 -0.019 0.000 0.761 211 T CA 1.566 63.658 62.100 -0.013 0.000 1.817 211 T CB -1.549 67.313 68.868 -0.010 0.000 1.871 211 T HN 0.932 nan 8.240 nan 0.000 0.723 212 K N 0.033 120.418 120.400 -0.024 0.000 2.510 212 K HA 0.087 4.407 4.320 -0.000 0.000 0.327 212 K C -1.148 175.431 176.600 -0.035 0.000 1.309 212 K CA -0.324 55.944 56.287 -0.031 0.000 1.171 212 K CB 0.890 33.360 32.500 -0.050 0.000 1.427 212 K HN 0.381 nan 8.250 nan 0.000 0.446 213 Q N 3.871 123.654 119.800 -0.027 0.000 2.286 213 Q HA 0.358 4.698 4.340 -0.000 0.000 0.257 213 Q C -2.024 173.947 176.000 -0.049 0.000 0.941 213 Q CA -1.533 54.252 55.803 -0.030 0.000 0.912 213 Q CB 1.019 29.746 28.738 -0.017 0.000 1.192 213 Q HN 0.325 nan 8.270 nan 0.000 0.410 214 P HA 0.079 nan 4.420 nan 0.000 0.275 214 P C -0.363 176.861 177.300 -0.126 0.000 1.227 214 P CA -0.281 62.776 63.100 -0.073 0.000 0.781 214 P CB 0.790 32.469 31.700 -0.034 0.000 0.906 215 V N 4.791 124.569 119.914 -0.228 0.000 2.585 215 V HA 0.041 4.161 4.120 -0.000 0.000 0.296 215 V C 1.329 177.234 176.094 -0.315 0.000 1.035 215 V CA 0.153 62.197 62.300 -0.427 0.000 1.084 215 V CB -0.515 30.779 31.823 -0.882 0.000 0.953 215 V HN 0.463 nan 8.190 nan 0.000 0.483 216 R N 3.774 124.120 120.500 -0.257 0.000 2.196 216 R HA 0.492 4.832 4.340 -0.000 0.000 0.340 216 R C -1.031 175.218 176.300 -0.086 0.000 1.043 216 R CA -0.417 55.615 56.100 -0.113 0.000 0.883 216 R CB 1.185 31.462 30.300 -0.039 0.000 1.078 216 R HN 0.553 nan 8.270 nan 0.000 0.462 217 V N 5.727 125.629 119.914 -0.021 0.000 2.398 217 V HA 0.370 4.490 4.120 -0.000 0.000 0.286 217 V C -0.096 176.072 176.094 0.124 0.000 1.026 217 V CA -0.787 61.574 62.300 0.102 0.000 0.868 217 V CB 1.355 33.264 31.823 0.143 0.000 0.982 217 V HN 0.511 nan 8.190 nan 0.000 0.443 218 I N 5.408 126.081 120.570 0.173 0.000 2.530 218 I HA 0.464 4.634 4.170 -0.000 0.000 0.297 218 I C -0.236 175.987 176.117 0.177 0.000 1.011 218 I CA -0.395 60.986 61.300 0.135 0.000 1.107 218 I CB 1.833 39.896 38.000 0.106 0.000 1.285 218 I HN 0.387 nan 8.210 nan 0.000 0.436 219 L N 5.047 126.341 121.223 0.118 0.000 2.265 219 L HA 0.499 4.839 4.340 -0.000 0.000 0.289 219 L C -0.856 176.066 176.870 0.087 0.000 1.033 219 L CA -0.311 54.597 54.840 0.113 0.000 0.814 219 L CB 0.925 43.017 42.059 0.054 0.000 1.203 219 L HN 0.484 nan 8.230 nan 0.000 0.423 220 D N 1.541 122.004 120.400 0.105 0.000 2.476 220 D HA 0.203 4.843 4.640 -0.000 0.000 0.251 220 D C 0.723 177.064 176.300 0.068 0.000 1.291 220 D CA -0.322 53.721 54.000 0.071 0.000 0.939 220 D CB 1.969 42.808 40.800 0.066 0.000 1.221 220 D HN 0.386 nan 8.370 nan 0.000 0.567 221 T N 1.531 116.112 114.554 0.046 0.000 2.674 221 T HA -0.076 4.274 4.350 -0.000 0.000 0.265 221 T C 1.575 176.295 174.700 0.034 0.000 1.039 221 T CA 1.668 63.791 62.100 0.039 0.000 1.150 221 T CB 0.071 68.952 68.868 0.022 0.000 0.864 221 T HN 0.445 nan 8.240 nan 0.000 0.427 222 V N -0.438 119.490 119.914 0.024 0.000 3.177 222 V HA 0.500 4.620 4.120 -0.000 0.000 0.342 222 V C 0.397 176.500 176.094 0.015 0.000 1.379 222 V CA -0.757 61.553 62.300 0.017 0.000 1.191 222 V CB -0.976 30.853 31.823 0.010 0.000 1.167 222 V HN 0.293 nan 8.190 nan 0.000 0.471 223 L N 2.485 123.722 121.223 0.023 0.000 3.844 223 L HA -0.218 4.122 4.340 -0.000 0.000 0.580 223 L C 1.141 178.015 176.870 0.007 0.000 1.156 223 L CA 1.326 56.177 54.840 0.018 0.000 0.848 223 L CB -1.198 40.867 42.059 0.010 0.000 1.283 223 L HN 0.885 nan 8.230 nan 0.000 0.803 224 S N 1.735 117.441 115.700 0.010 0.000 2.559 224 S HA 0.271 4.741 4.470 -0.000 0.000 0.226 224 S C 0.894 175.497 174.600 0.006 0.000 1.000 224 S CA 0.153 58.356 58.200 0.005 0.000 0.948 224 S CB -0.019 63.184 63.200 0.005 0.000 0.870 224 S HN 0.618 nan 8.310 nan 0.000 0.497 225 I N 3.674 124.250 120.570 0.010 0.000 2.821 225 I HA 0.165 4.335 4.170 -0.000 0.000 0.294 225 I C -2.596 173.526 176.117 0.008 0.000 1.210 225 I CA -1.685 59.623 61.300 0.013 0.000 1.430 225 I CB 0.668 38.681 38.000 0.022 0.000 1.356 225 I HN 0.026 nan 8.210 nan 0.000 0.563 226 P HA 0.040 nan 4.420 nan 0.000 0.269 226 P C -0.401 176.913 177.300 0.023 0.000 1.215 226 P CA 0.073 63.182 63.100 0.016 0.000 0.780 226 P CB 0.521 32.232 31.700 0.018 0.000 0.898 227 E N 0.322 120.541 120.200 0.032 0.000 2.502 227 E HA -0.066 4.284 4.350 -0.000 0.000 0.194 227 E C 0.338 176.991 176.600 0.088 0.000 1.062 227 E CA 0.614 57.050 56.400 0.060 0.000 0.867 227 E CB -0.466 29.284 29.700 0.084 0.000 0.888 227 E HN 0.490 nan 8.360 nan 0.000 0.510 228 D N 0.172 120.609 120.400 0.063 0.000 2.587 228 D HA 0.199 4.839 4.640 -0.000 0.000 0.233 228 D C -0.089 176.241 176.300 0.050 0.000 1.213 228 D CA -0.277 53.759 54.000 0.059 0.000 0.827 228 D CB 0.168 40.995 40.800 0.044 0.000 1.006 228 D HN 0.018 nan 8.370 nan 0.000 0.490 229 A N 0.926 123.779 122.820 0.055 0.000 2.305 229 A HA 0.229 4.549 4.320 -0.000 0.000 0.322 229 A C 1.212 178.830 177.584 0.058 0.000 1.187 229 A CA -0.728 51.338 52.037 0.049 0.000 0.825 229 A CB 1.502 20.529 19.000 0.044 0.000 1.164 229 A HN 0.058 nan 8.150 nan 0.000 0.498 230 K N 1.659 122.088 120.400 0.050 0.000 2.286 230 K HA -0.171 4.149 4.320 -0.000 0.000 0.203 230 K C 1.381 178.015 176.600 0.058 0.000 1.045 230 K CA 2.114 58.432 56.287 0.052 0.000 0.935 230 K CB -0.361 32.166 32.500 0.045 0.000 0.737 230 K HN 0.734 nan 8.250 nan 0.000 0.460 231 V N -1.646 118.303 119.914 0.059 0.000 2.535 231 V HA -0.141 3.979 4.120 -0.000 0.000 0.246 231 V C 2.167 178.312 176.094 0.085 0.000 1.045 231 V CA 0.754 63.093 62.300 0.064 0.000 1.058 231 V CB -0.470 31.388 31.823 0.057 0.000 0.689 231 V HN 0.130 nan 8.190 nan 0.000 0.461 232 I N 0.563 121.187 120.570 0.089 0.000 2.179 232 I HA -0.123 4.047 4.170 -0.000 0.000 0.242 232 I C 2.073 178.286 176.117 0.160 0.000 1.088 232 I CA 1.365 62.735 61.300 0.117 0.000 1.357 232 I CB -0.705 37.359 38.000 0.106 0.000 1.051 232 I HN 0.466 nan 8.210 nan 0.000 0.409 233 C N 0.354 119.731 119.300 0.129 0.000 1.426 233 C HA 0.086 4.546 4.460 -0.000 0.000 0.156 233 C C 1.723 176.762 174.990 0.082 0.000 2.993 233 C CA 0.095 59.181 59.018 0.113 0.000 1.872 233 C CB -0.184 27.609 27.740 0.089 0.000 2.433 233 C HN 0.726 nan 8.230 nan 0.000 0.258 234 D N 0.021 120.456 120.400 0.059 0.000 2.955 234 D HA -0.255 4.385 4.640 -0.000 0.000 0.224 234 D C 0.623 176.951 176.300 0.047 0.000 1.183 234 D CA 1.246 55.273 54.000 0.046 0.000 0.765 234 D CB -1.502 39.324 40.800 0.042 0.000 1.073 234 D HN 0.586 nan 8.370 nan 0.000 0.411 235 Q N -0.473 119.362 119.800 0.058 0.000 2.255 235 Q HA -0.203 4.137 4.340 -0.000 0.000 0.372 235 Q C 1.238 177.266 176.000 0.047 0.000 1.224 235 Q CA 0.587 56.426 55.803 0.060 0.000 1.182 235 Q CB -0.754 28.018 28.738 0.056 0.000 1.444 235 Q HN 0.617 nan 8.270 nan 0.000 0.360 236 I N -1.536 119.059 120.570 0.042 0.000 2.368 236 I HA 0.025 4.195 4.170 -0.000 0.000 0.238 236 I C 1.068 177.201 176.117 0.027 0.000 1.076 236 I CA 1.207 62.525 61.300 0.030 0.000 1.397 236 I CB -0.984 37.031 38.000 0.025 0.000 1.141 236 I HN 0.242 nan 8.210 nan 0.000 0.430 237 A N 0.741 123.576 122.820 0.024 0.000 2.354 237 A HA 0.665 4.985 4.320 -0.000 0.000 0.321 237 A C -2.453 175.142 177.584 0.017 0.000 1.125 237 A CA -1.391 50.651 52.037 0.009 0.000 0.799 237 A CB 0.572 19.565 19.000 -0.013 0.000 1.293 237 A HN -0.006 nan 8.150 nan 0.000 0.452 238 P HA 0.223 nan 4.420 nan 0.000 0.270 238 P C -0.522 176.769 177.300 -0.015 0.000 1.221 238 P CA 0.503 63.624 63.100 0.034 0.000 0.788 238 P CB 0.418 32.113 31.700 -0.010 0.000 0.904 239 T N 0.742 115.370 114.554 0.122 0.000 3.355 239 T HA 0.317 4.667 4.350 -0.000 0.000 0.324 239 T C -1.473 173.480 174.700 0.421 0.000 0.932 239 T CA -0.387 61.796 62.100 0.138 0.000 1.032 239 T CB 0.153 69.103 68.868 0.137 0.000 1.027 239 T HN 0.230 nan 8.240 nan 0.000 0.456 240 W N 2.957 124.290 121.300 0.055 0.000 2.606 240 W HA 0.767 5.427 4.660 -0.000 0.000 0.332 240 W C -0.466 176.067 176.519 0.022 0.000 1.052 240 W CA -1.765 55.588 57.345 0.014 0.000 1.223 240 W CB 0.482 29.866 29.460 -0.127 0.000 1.383 240 W HN 0.440 nan 8.180 nan 0.000 0.524 241 I N 2.662 123.368 120.570 0.228 0.000 2.545 241 I HA 0.380 4.550 4.170 -0.000 0.000 0.292 241 I C -0.967 175.226 176.117 0.128 0.000 1.040 241 I CA -0.942 60.478 61.300 0.201 0.000 1.068 241 I CB 1.585 39.669 38.000 0.141 0.000 1.251 241 I HN 0.020 nan 8.210 nan 0.000 0.424 242 F N 2.961 122.978 119.950 0.112 0.000 2.425 242 F HA 0.708 5.235 4.527 -0.000 0.000 0.331 242 F C 0.535 176.386 175.800 0.085 0.000 1.085 242 F CA -0.159 57.909 58.000 0.113 0.000 1.028 242 F CB 2.141 41.180 39.000 0.064 0.000 1.177 242 F HN 0.336 nan 8.300 nan 0.000 0.487 243 T N -0.570 114.130 114.554 0.243 0.000 2.711 243 T HA 0.465 4.815 4.350 -0.000 0.000 0.302 243 T C -0.415 174.353 174.700 0.113 0.000 1.373 243 T CA -0.888 61.297 62.100 0.142 0.000 1.000 243 T CB 1.721 70.642 68.868 0.089 0.000 1.483 243 T HN 0.668 nan 8.240 nan 0.000 0.499 244 T N -1.331 113.266 114.554 0.072 0.000 2.889 244 T HA 0.718 5.068 4.350 -0.000 0.000 0.278 244 T C 1.653 176.373 174.700 0.033 0.000 0.995 244 T CA -0.062 62.070 62.100 0.052 0.000 0.966 244 T CB 0.701 69.592 68.868 0.038 0.000 1.237 244 T HN 0.673 nan 8.240 nan 0.000 0.591 245 A N 0.195 123.029 122.820 0.023 0.000 2.070 245 A HA -0.027 4.293 4.320 -0.000 0.000 0.220 245 A C 2.271 179.860 177.584 0.008 0.000 1.159 245 A CA 0.645 52.689 52.037 0.012 0.000 0.656 245 A CB -0.768 18.237 19.000 0.009 0.000 0.800 245 A HN 0.702 nan 8.150 nan 0.000 0.453 246 R N 0.234 120.741 120.500 0.012 0.000 2.341 246 R HA 0.027 4.367 4.340 -0.000 0.000 0.213 246 R C 0.974 177.278 176.300 0.006 0.000 1.082 246 R CA 0.778 56.883 56.100 0.008 0.000 1.017 246 R CB -1.189 29.117 30.300 0.010 0.000 0.860 246 R HN 0.503 nan 8.270 nan 0.000 0.473 247 A N 1.929 124.753 122.820 0.006 0.000 2.351 247 A HA 0.091 4.411 4.320 -0.000 0.000 0.257 247 A C -0.331 177.249 177.584 -0.007 0.000 1.087 247 A CA -0.568 51.469 52.037 0.001 0.000 0.798 247 A CB 0.341 19.342 19.000 0.001 0.000 1.033 247 A HN 0.169 nan 8.150 nan 0.000 0.488 248 D N 0.622 121.015 120.400 -0.012 0.000 2.390 248 D HA 0.091 4.731 4.640 -0.000 0.000 0.249 248 D C 1.004 177.292 176.300 -0.020 0.000 1.144 248 D CA -0.036 53.956 54.000 -0.014 0.000 0.880 248 D CB 0.691 41.482 40.800 -0.014 0.000 1.182 248 D HN 0.460 nan 8.370 nan 0.000 0.451 249 E N 2.529 122.718 120.200 -0.018 0.000 2.058 249 E HA -0.188 4.162 4.350 -0.000 0.000 0.194 249 E C 1.391 177.976 176.600 -0.025 0.000 0.997 249 E CA 1.072 57.459 56.400 -0.021 0.000 0.801 249 E CB 0.168 29.859 29.700 -0.016 0.000 0.746 249 E HN 0.614 nan 8.360 nan 0.000 0.450 250 E N 0.604 120.793 120.200 -0.019 0.000 2.031 250 E HA -0.172 4.178 4.350 -0.000 0.000 0.193 250 E C 2.047 178.628 176.600 -0.032 0.000 0.994 250 E CA 0.800 57.190 56.400 -0.016 0.000 0.800 250 E CB -0.333 29.364 29.700 -0.005 0.000 0.752 250 E HN 0.212 nan 8.360 nan 0.000 0.447 251 K N 1.323 121.699 120.400 -0.041 0.000 2.152 251 K HA -0.201 4.119 4.320 -0.000 0.000 0.206 251 K C 2.127 178.662 176.600 -0.109 0.000 1.048 251 K CA 1.558 57.801 56.287 -0.074 0.000 0.933 251 K CB -0.004 32.460 32.500 -0.060 0.000 0.721 251 K HN -0.071 nan 8.250 nan 0.000 0.447 252 K N 0.879 121.233 120.400 -0.076 0.000 2.062 252 K HA -0.156 4.164 4.320 -0.000 0.000 0.205 252 K C 1.983 178.532 176.600 -0.086 0.000 1.051 252 K CA 1.411 57.650 56.287 -0.080 0.000 0.941 252 K CB 0.028 32.495 32.500 -0.056 0.000 0.719 252 K HN 0.000 nan 8.250 nan 0.000 0.440 253 K N 0.454 120.818 120.400 -0.061 0.000 2.366 253 K HA -0.052 4.268 4.320 -0.000 0.000 0.198 253 K C 2.124 178.710 176.600 -0.023 0.000 1.044 253 K CA 0.277 56.541 56.287 -0.038 0.000 0.973 253 K CB 0.154 32.643 32.500 -0.018 0.000 0.767 253 K HN 0.072 nan 8.250 nan 0.000 0.475 254 R N 0.759 121.219 120.500 -0.067 0.000 2.072 254 R HA -0.038 4.302 4.340 -0.000 0.000 0.221 254 R C 2.043 178.130 176.300 -0.355 0.000 1.166 254 R CA 1.292 57.352 56.100 -0.067 0.000 0.917 254 R CB -0.532 29.688 30.300 -0.133 0.000 0.815 254 R HN 0.142 nan 8.270 nan 0.000 0.444 255 L N 1.660 122.418 121.223 -0.774 0.000 2.357 255 L HA -0.173 4.167 4.340 -0.000 0.000 0.220 255 L C 2.432 179.130 176.870 -0.286 0.000 1.123 255 L CA 1.456 55.734 54.840 -0.937 0.000 0.782 255 L CB -0.629 41.109 42.059 -0.536 0.000 0.910 255 L HN 0.418 nan 8.230 nan 0.000 0.442 256 S N -0.458 115.162 115.700 -0.134 0.000 2.489 256 S HA 0.032 4.502 4.470 -0.000 0.000 0.228 256 S C 2.001 176.642 174.600 0.067 0.000 0.995 256 S CA 0.508 58.691 58.200 -0.028 0.000 0.934 256 S CB 0.038 63.206 63.200 -0.053 0.000 0.771 256 S HN 0.368 nan 8.310 nan 0.000 0.522 257 A N 0.953 123.877 122.820 0.173 0.000 1.984 257 A HA 0.369 4.689 4.320 -0.000 0.000 0.214 257 A C 1.391 179.183 177.584 0.346 0.000 1.173 257 A CA 0.257 52.440 52.037 0.244 0.000 0.673 257 A CB -0.725 18.437 19.000 0.271 0.000 0.830 257 A HN 0.497 nan 8.150 nan 0.000 0.453 258 F N 0.230 120.196 119.950 0.026 0.000 2.722 258 F HA 0.232 4.759 4.527 -0.000 0.000 0.298 258 F C 2.019 177.848 175.800 0.049 0.000 1.175 258 F CA 0.411 58.432 58.000 0.035 0.000 1.462 258 F CB -0.978 38.044 39.000 0.038 0.000 1.111 258 F HN 0.392 nan 8.300 nan 0.000 0.592 259 G N -0.864 108.078 108.800 0.238 0.000 2.254 259 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.225 259 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.225 259 G C 0.223 175.228 174.900 0.175 0.000 1.003 259 G CA -0.033 45.171 45.100 0.173 0.000 0.622 259 G HN 0.124 nan 8.290 nan 0.000 0.507 260 V N 1.944 121.960 119.914 0.170 0.000 2.458 260 V HA 0.196 4.316 4.120 -0.000 0.000 0.287 260 V C 0.539 176.702 176.094 0.116 0.000 1.009 260 V CA 0.243 62.640 62.300 0.162 0.000 1.091 260 V CB 0.654 32.529 31.823 0.086 0.000 0.960 260 V HN 0.403 nan 8.190 nan 0.000 0.476 261 N N 5.250 124.057 118.700 0.179 0.000 2.439 261 N HA 0.359 5.099 4.740 -0.000 0.000 0.243 261 N C -0.384 175.188 175.510 0.103 0.000 1.088 261 N CA -0.047 53.005 53.050 0.002 0.000 0.940 261 N CB 0.392 38.708 38.487 -0.285 0.000 1.180 261 N HN 0.596 nan 8.380 nan 0.000 0.505 262 I N 2.957 123.512 120.570 -0.024 0.000 2.352 262 I HA 0.217 4.387 4.170 -0.000 0.000 0.290 262 I C -0.477 175.580 176.117 -0.099 0.000 1.036 262 I CA -0.319 60.985 61.300 0.007 0.000 1.336 262 I CB 0.321 38.294 38.000 -0.045 0.000 1.407 262 I HN 0.210 nan 8.210 nan 0.000 0.497 263 F N 3.767 123.502 119.950 -0.358 0.000 2.444 263 F HA 0.365 4.892 4.527 -0.000 0.000 0.342 263 F C 0.468 176.176 175.800 -0.154 0.000 1.121 263 F CA -0.692 57.087 58.000 -0.367 0.000 0.997 263 F CB 1.784 40.307 39.000 -0.795 0.000 1.130 263 F HN 0.254 nan 8.300 nan 0.000 0.454 264 T N 4.979 119.565 114.554 0.052 0.000 2.795 264 T HA 0.607 4.957 4.350 -0.000 0.000 0.282 264 T C -0.188 174.583 174.700 0.117 0.000 0.980 264 T CA -0.568 61.578 62.100 0.078 0.000 1.012 264 T CB 0.845 69.724 68.868 0.018 0.000 0.936 264 T HN 0.290 nan 8.240 nan 0.000 0.457 265 L N 2.970 124.275 121.223 0.138 0.000 2.295 265 L HA 0.377 4.717 4.340 -0.000 0.000 0.285 265 L C 1.010 177.922 176.870 0.070 0.000 1.035 265 L CA -0.765 54.149 54.840 0.124 0.000 0.806 265 L CB 1.109 43.253 42.059 0.142 0.000 1.214 265 L HN 0.562 nan 8.230 nan 0.000 0.426 266 E N 2.006 122.238 120.200 0.054 0.000 2.321 266 E HA 0.049 4.399 4.350 -0.000 0.000 0.189 266 E C 0.255 176.871 176.600 0.026 0.000 1.125 266 E CA -0.013 56.406 56.400 0.033 0.000 1.005 266 E CB -0.272 29.443 29.700 0.025 0.000 1.140 266 E HN 0.665 nan 8.360 nan 0.000 0.457 267 T N -2.879 111.692 114.554 0.029 0.000 2.950 267 T HA 0.303 4.653 4.350 -0.000 0.000 0.288 267 T C 1.172 175.881 174.700 0.015 0.000 1.035 267 T CA -0.874 61.237 62.100 0.018 0.000 1.028 267 T CB 2.102 70.979 68.868 0.014 0.000 1.109 267 T HN -0.225 nan 8.240 nan 0.000 0.514 268 E N 1.140 121.344 120.200 0.007 0.000 2.038 268 E HA -0.094 4.256 4.350 -0.000 0.000 0.195 268 E C 0.598 177.201 176.600 0.005 0.000 1.000 268 E CA 1.351 57.754 56.400 0.005 0.000 0.803 268 E CB 0.004 29.704 29.700 -0.000 0.000 0.750 268 E HN 0.585 nan 8.360 nan 0.000 0.448 269 R N 0.005 120.505 120.500 0.000 0.000 2.854 269 R HA 0.523 4.863 4.340 -0.000 0.000 0.271 269 R C 0.072 176.369 176.300 -0.005 0.000 0.996 269 R CA -0.860 55.238 56.100 -0.003 0.000 0.961 269 R CB 1.502 31.793 30.300 -0.014 0.000 1.182 269 R HN -0.057 nan 8.270 nan 0.000 0.479 270 I N 2.431 122.998 120.570 -0.005 0.000 2.598 270 I HA -0.033 4.137 4.170 -0.000 0.000 0.284 270 I C 0.267 176.346 176.117 -0.064 0.000 1.140 270 I CA 0.544 61.835 61.300 -0.016 0.000 1.420 270 I CB 0.406 38.399 38.000 -0.011 0.000 1.387 270 I HN 0.283 nan 8.210 nan 0.000 0.553 271 Q N 6.114 125.871 119.800 -0.071 0.000 2.368 271 Q HA 0.264 4.604 4.340 -0.000 0.000 0.256 271 Q C 0.851 176.750 176.000 -0.169 0.000 0.980 271 Q CA -0.727 55.013 55.803 -0.105 0.000 0.887 271 Q CB 1.994 30.692 28.738 -0.067 0.000 1.221 271 Q HN 0.588 nan 8.270 nan 0.000 0.458 272 I N 3.633 124.050 120.570 -0.255 0.000 2.143 272 I HA -0.264 3.906 4.170 -0.000 0.000 0.245 272 I C -0.744 175.212 176.117 -0.269 0.000 1.068 272 I CA 1.711 62.776 61.300 -0.391 0.000 1.326 272 I CB -2.012 35.598 38.000 -0.650 0.000 1.028 272 I HN 0.512 nan 8.210 nan 0.000 0.412 273 P HA -0.115 nan 4.420 nan 0.000 0.219 273 P C 1.164 178.421 177.300 -0.073 0.000 1.146 273 P CA 1.358 64.398 63.100 -0.099 0.000 0.808 273 P CB 0.023 31.681 31.700 -0.069 0.000 0.779 274 D N -1.147 119.204 120.400 -0.082 0.000 2.149 274 D HA -0.105 4.535 4.640 -0.000 0.000 0.201 274 D C 1.951 178.215 176.300 -0.059 0.000 0.972 274 D CA 1.164 55.141 54.000 -0.039 0.000 0.835 274 D CB -0.707 40.084 40.800 -0.014 0.000 0.966 274 D HN 0.100 nan 8.370 nan 0.000 0.476 275 V N -0.922 118.859 119.914 -0.223 0.000 2.548 275 V HA -0.058 4.062 4.120 -0.000 0.000 0.249 275 V C 2.200 178.163 176.094 -0.217 0.000 1.055 275 V CA 0.945 62.947 62.300 -0.497 0.000 1.065 275 V CB -0.796 30.441 31.823 -0.977 0.000 0.681 275 V HN 0.097 nan 8.190 nan 0.000 0.462 276 L N -0.160 121.007 121.223 -0.094 0.000 2.291 276 L HA -0.010 4.330 4.340 -0.000 0.000 0.214 276 L C 2.743 179.663 176.870 0.085 0.000 1.120 276 L CA 1.741 56.606 54.840 0.041 0.000 0.799 276 L CB -0.547 41.555 42.059 0.072 0.000 0.925 276 L HN 0.366 nan 8.230 nan 0.000 0.446 277 K N 0.646 121.078 120.400 0.053 0.000 2.031 277 K HA -0.135 4.185 4.320 -0.000 0.000 0.205 277 K C 2.175 178.856 176.600 0.135 0.000 1.049 277 K CA 0.921 57.252 56.287 0.074 0.000 0.939 277 K CB 0.189 32.718 32.500 0.048 0.000 0.717 277 K HN 0.044 nan 8.250 nan 0.000 0.438 278 I N 2.284 122.961 120.570 0.178 0.000 2.069 278 I HA -0.329 3.841 4.170 -0.000 0.000 0.237 278 I C 2.432 178.726 176.117 0.295 0.000 1.053 278 I CA 1.448 62.918 61.300 0.283 0.000 1.311 278 I CB -1.325 36.967 38.000 0.488 0.000 1.030 278 I HN 0.267 nan 8.210 nan 0.000 0.398 279 L N 0.752 122.164 121.223 0.316 0.000 2.034 279 L HA -0.269 4.071 4.340 -0.000 0.000 0.217 279 L C 2.625 179.708 176.870 0.355 0.000 1.077 279 L CA 1.812 56.870 54.840 0.364 0.000 0.769 279 L CB -0.922 41.314 42.059 0.296 0.000 0.890 279 L HN 0.275 nan 8.230 nan 0.000 0.435 280 A N -0.803 122.214 122.820 0.328 0.000 2.172 280 A HA -0.157 4.163 4.320 -0.000 0.000 0.216 280 A C 2.124 179.907 177.584 0.332 0.000 1.154 280 A CA 1.329 53.623 52.037 0.428 0.000 0.701 280 A CB -0.321 18.823 19.000 0.242 0.000 0.789 280 A HN 0.529 nan 8.150 nan 0.000 0.465 281 E N -0.415 119.939 120.200 0.258 0.000 2.140 281 E HA -0.049 4.301 4.350 -0.000 0.000 0.191 281 E C 0.727 177.468 176.600 0.234 0.000 0.973 281 E CA 0.372 56.896 56.400 0.207 0.000 0.829 281 E CB -0.011 29.792 29.700 0.172 0.000 0.781 281 E HN 0.440 nan 8.360 nan 0.000 0.466 282 E N 0.204 120.575 120.200 0.286 0.000 2.416 282 E HA 0.030 4.380 4.350 -0.000 0.000 0.189 282 E C 0.926 177.725 176.600 0.331 0.000 1.091 282 E CA 0.385 56.964 56.400 0.298 0.000 0.889 282 E CB 0.274 30.173 29.700 0.333 0.000 1.015 282 E HN 0.425 nan 8.360 nan 0.000 0.479 283 G N 1.144 110.126 108.800 0.303 0.000 2.184 283 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.264 283 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.264 283 G C 0.282 175.245 174.900 0.105 0.000 0.975 283 G CA 0.144 45.389 45.100 0.243 0.000 0.642 283 G HN 0.258 nan 8.290 nan 0.000 0.536 284 I N 0.792 121.460 120.570 0.165 0.000 2.496 284 I HA 0.358 4.528 4.170 -0.000 0.000 0.285 284 I C 1.630 177.667 176.117 -0.133 0.000 1.080 284 I CA 0.292 61.615 61.300 0.038 0.000 1.404 284 I CB 1.218 39.289 38.000 0.119 0.000 1.403 284 I HN 0.135 nan 8.210 nan 0.000 0.539 285 M N 4.101 123.499 119.600 -0.337 0.000 2.333 285 M HA 0.203 4.683 4.480 -0.000 0.000 0.257 285 M C -0.159 176.145 176.300 0.007 0.000 1.078 285 M CA 0.092 55.056 55.300 -0.559 0.000 1.005 285 M CB -0.010 32.108 32.600 -0.804 0.000 1.444 285 M HN 0.716 nan 8.290 nan 0.000 0.496 286 S N -0.442 115.319 115.700 0.102 0.000 2.543 286 S HA 0.695 5.165 4.470 -0.000 0.000 0.274 286 S C -0.935 173.786 174.600 0.202 0.000 1.149 286 S CA -0.895 57.462 58.200 0.261 0.000 0.866 286 S CB 2.258 65.674 63.200 0.361 0.000 1.111 286 S HN -0.062 nan 8.310 nan 0.000 0.457 287 V N 2.532 122.536 119.914 0.151 0.000 2.709 287 V HA 0.530 4.650 4.120 -0.000 0.000 0.308 287 V C -1.621 174.371 176.094 -0.170 0.000 1.062 287 V CA -0.718 61.597 62.300 0.024 0.000 0.901 287 V CB 1.815 33.664 31.823 0.043 0.000 1.003 287 V HN 0.959 nan 8.190 nan 0.000 0.425 288 Y N 4.290 124.393 120.300 -0.329 0.000 2.717 288 Y HA 0.588 5.138 4.550 -0.000 0.000 0.329 288 Y C -0.245 175.513 175.900 -0.237 0.000 1.017 288 Y CA -0.854 56.999 58.100 -0.411 0.000 1.275 288 Y CB 1.098 39.410 38.460 -0.247 0.000 1.109 288 Y HN 0.421 nan 8.280 nan 0.000 0.511 289 V N 7.284 126.927 119.914 -0.452 0.000 2.427 289 V HA 0.120 4.240 4.120 -0.000 0.000 0.268 289 V C 0.413 176.267 176.094 -0.400 0.000 1.046 289 V CA 0.366 62.389 62.300 -0.462 0.000 0.970 289 V CB 0.668 32.038 31.823 -0.756 0.000 1.001 289 V HN 0.844 nan 8.190 nan 0.000 0.476 290 E N 3.177 123.167 120.200 -0.350 0.000 2.676 290 E HA 0.266 4.616 4.350 -0.000 0.000 0.225 290 E C 0.713 177.159 176.600 -0.257 0.000 0.944 290 E CA -0.151 56.108 56.400 -0.235 0.000 1.156 290 E CB 0.927 30.391 29.700 -0.394 0.000 1.117 290 E HN 0.628 nan 8.360 nan 0.000 0.523 291 G N 0.927 109.504 108.800 -0.372 0.000 2.348 291 G HA2 0.518 4.478 3.960 -0.000 0.000 0.312 291 G HA3 0.518 4.478 3.960 -0.000 0.000 0.312 291 G C 0.429 175.078 174.900 -0.419 0.000 1.126 291 G CA -0.050 44.859 45.100 -0.319 0.000 0.865 291 G HN 0.433 nan 8.290 nan 0.000 0.474 292 G N 0.626 109.268 108.800 -0.263 0.000 3.051 292 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.686 292 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.686 292 G C 1.122 175.907 174.900 -0.192 0.000 1.461 292 G CA 0.348 45.340 45.100 -0.180 0.000 1.129 292 G HN 1.508 nan 8.290 nan 0.000 0.601 293 S N 1.372 117.036 115.700 -0.060 0.000 2.368 293 S HA 0.050 4.520 4.470 -0.000 0.000 0.224 293 S C 2.850 177.464 174.600 0.023 0.000 1.029 293 S CA 2.039 60.248 58.200 0.015 0.000 0.988 293 S CB -0.365 62.845 63.200 0.016 0.000 0.838 293 S HN 2.027 nan 8.310 nan 0.000 0.462 294 A N 0.862 123.679 122.820 -0.006 0.000 1.877 294 A HA -0.005 4.315 4.320 -0.000 0.000 0.216 294 A C 2.338 179.935 177.584 0.022 0.000 1.186 294 A CA 1.834 53.872 52.037 0.002 0.000 0.620 294 A CB -1.083 17.910 19.000 -0.011 0.000 0.822 294 A HN 0.461 nan 8.150 nan 0.000 0.443 295 V N -0.441 119.475 119.914 0.002 0.000 2.407 295 V HA -0.291 3.829 4.120 -0.000 0.000 0.248 295 V C 2.255 178.486 176.094 0.227 0.000 1.055 295 V CA 2.271 64.616 62.300 0.075 0.000 1.049 295 V CB -1.194 30.640 31.823 0.019 0.000 0.662 295 V HN 0.736 nan 8.190 nan 0.000 0.455 296 H N -0.280 118.852 119.070 0.103 0.000 2.456 296 H HA -0.078 4.478 4.556 -0.000 0.000 0.296 296 H C 2.291 177.671 175.328 0.087 0.000 1.079 296 H CA 0.824 56.918 56.048 0.075 0.000 1.322 296 H CB -0.048 29.719 29.762 0.009 0.000 1.388 296 H HN 0.512 nan 8.280 nan 0.000 0.538 297 G N -0.545 108.359 108.800 0.173 0.000 2.395 297 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.214 297 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.214 297 G C 1.806 176.733 174.900 0.045 0.000 1.177 297 G CA 0.654 45.794 45.100 0.068 0.000 0.794 297 G HN 0.256 nan 8.290 nan 0.000 0.532 298 S N 0.592 116.318 115.700 0.044 0.000 2.383 298 S HA -0.060 4.410 4.470 -0.000 0.000 0.229 298 S C 1.951 176.535 174.600 -0.027 0.000 1.030 298 S CA 0.851 59.030 58.200 -0.035 0.000 1.002 298 S CB -0.362 62.780 63.200 -0.096 0.000 0.829 298 S HN 0.313 nan 8.310 nan 0.000 0.467 299 F N 1.068 121.041 119.950 0.038 0.000 2.186 299 F HA -0.057 4.470 4.527 -0.000 0.000 0.299 299 F C 2.269 178.179 175.800 0.183 0.000 1.090 299 F CA 0.626 58.681 58.000 0.091 0.000 1.307 299 F CB -0.425 38.625 39.000 0.084 0.000 1.019 299 F HN 0.007 nan 8.300 nan 0.000 0.489 300 V N -0.199 119.882 119.914 0.280 0.000 2.255 300 V HA -0.263 3.857 4.120 -0.000 0.000 0.243 300 V C 2.318 178.569 176.094 0.262 0.000 1.038 300 V CA 1.765 64.245 62.300 0.301 0.000 1.008 300 V CB -0.511 31.369 31.823 0.095 0.000 0.645 300 V HN 0.159 nan 8.190 nan 0.000 0.449 301 K N -0.449 119.950 120.400 -0.002 0.000 2.360 301 K HA -0.204 4.116 4.320 -0.000 0.000 0.201 301 K C 1.984 178.644 176.600 0.100 0.000 1.046 301 K CA 1.169 57.396 56.287 -0.100 0.000 0.940 301 K CB 0.052 32.404 32.500 -0.246 0.000 0.748 301 K HN 0.403 nan 8.250 nan 0.000 0.465 302 E N -1.043 119.215 120.200 0.096 0.000 2.190 302 E HA -0.016 4.334 4.350 -0.000 0.000 0.191 302 E C 1.278 177.927 176.600 0.080 0.000 0.978 302 E CA 1.040 57.475 56.400 0.057 0.000 0.839 302 E CB 0.410 30.092 29.700 -0.030 0.000 0.787 302 E HN 0.515 nan 8.360 nan 0.000 0.473 303 G N 0.750 109.637 108.800 0.144 0.000 2.157 303 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.239 303 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.239 303 G C 0.676 175.488 174.900 -0.147 0.000 0.982 303 G CA 0.274 45.347 45.100 -0.046 0.000 0.650 303 G HN 0.285 nan 8.290 nan 0.000 0.527 304 C N 1.914 121.264 119.300 0.082 0.000 3.297 304 C HA 0.584 5.044 4.460 -0.000 0.000 0.533 304 C C 0.369 175.531 174.990 0.287 0.000 1.228 304 C CA 0.021 59.123 59.018 0.139 0.000 1.402 304 C CB -2.828 25.006 27.740 0.156 0.000 1.728 304 C HN 0.583 nan 8.230 nan 0.000 0.637 305 F N -1.690 118.274 119.950 0.024 0.000 2.581 305 F HA 0.626 5.153 4.527 -0.000 0.000 0.311 305 F C 0.158 175.819 175.800 -0.232 0.000 1.113 305 F CA -0.948 56.989 58.000 -0.104 0.000 0.935 305 F CB 1.125 40.066 39.000 -0.098 0.000 1.232 305 F HN -0.232 nan 8.300 nan 0.000 0.445 306 Q N 0.827 120.459 119.800 -0.280 0.000 2.396 306 Q HA 0.300 4.640 4.340 -0.000 0.000 0.220 306 Q C -0.479 175.368 176.000 -0.256 0.000 0.900 306 Q CA 0.808 56.302 55.803 -0.514 0.000 0.925 306 Q CB 0.571 28.506 28.738 -1.338 0.000 1.065 306 Q HN 0.836 nan 8.270 nan 0.000 0.535 307 E N -0.419 119.699 120.200 -0.138 0.000 2.331 307 E HA 0.493 4.843 4.350 -0.000 0.000 0.275 307 E C -1.608 174.901 176.600 -0.152 0.000 0.895 307 E CA -0.743 55.628 56.400 -0.049 0.000 0.753 307 E CB 1.771 31.509 29.700 0.064 0.000 1.216 307 E HN -0.023 nan 8.360 nan 0.000 0.434 308 I N 4.655 125.076 120.570 -0.249 0.000 2.436 308 I HA 0.481 4.651 4.170 -0.000 0.000 0.289 308 I C -1.607 174.179 176.117 -0.550 0.000 1.010 308 I CA -0.617 60.365 61.300 -0.529 0.000 1.098 308 I CB 1.229 38.824 38.000 -0.676 0.000 1.266 308 I HN 0.501 nan 8.210 nan 0.000 0.434 309 I N 8.230 128.421 120.570 -0.631 0.000 2.468 309 I HA 0.347 4.517 4.170 -0.000 0.000 0.284 309 I C -1.398 174.446 176.117 -0.455 0.000 1.038 309 I CA -0.420 60.564 61.300 -0.527 0.000 1.083 309 I CB 1.128 38.876 38.000 -0.421 0.000 1.223 309 I HN 0.269 nan 8.210 nan 0.000 0.443 310 F N 5.167 124.790 119.950 -0.546 0.000 2.495 310 F HA 0.494 5.021 4.527 -0.000 0.000 0.327 310 F C -0.420 174.855 175.800 -0.875 0.000 1.103 310 F CA -1.384 56.227 58.000 -0.648 0.000 0.949 310 F CB 1.284 39.787 39.000 -0.828 0.000 1.142 310 F HN 0.207 nan 8.300 nan 0.000 0.457 311 Y N 2.972 123.137 120.300 -0.225 0.000 2.342 311 Y HA 0.478 5.028 4.550 -0.000 0.000 0.338 311 Y C -0.755 175.069 175.900 -0.127 0.000 0.965 311 Y CA -0.663 57.344 58.100 -0.155 0.000 1.159 311 Y CB 0.832 39.281 38.460 -0.019 0.000 1.157 311 Y HN 0.260 nan 8.280 nan 0.000 0.486 312 F N 2.489 122.520 119.950 0.136 0.000 2.388 312 F HA 0.643 5.170 4.527 0.000 0.000 0.358 312 F C 0.381 176.225 175.800 0.074 0.000 1.122 312 F CA -1.611 56.434 58.000 0.076 0.000 1.056 312 F CB 0.888 39.909 39.000 0.035 0.000 1.155 312 F HN 0.505 nan 8.300 nan 0.000 0.461 313 A N 5.064 128.046 122.820 0.270 0.000 2.304 313 A HA 0.681 5.001 4.320 -0.000 0.000 0.301 313 A C -2.440 175.208 177.584 0.107 0.000 1.132 313 A CA -1.771 50.363 52.037 0.160 0.000 0.819 313 A CB 0.247 19.327 19.000 0.133 0.000 1.094 313 A HN 0.480 nan 8.150 nan 0.000 0.492 314 P HA 0.118 nan 4.420 nan 0.000 0.244 314 P C -1.082 176.237 177.300 0.032 0.000 1.723 314 P CA 0.600 63.726 63.100 0.043 0.000 1.110 314 P CB -0.604 31.119 31.700 0.039 0.000 1.972 315 K N 1.311 121.726 120.400 0.024 0.000 2.583 315 K HA 0.338 4.658 4.320 -0.000 0.000 0.260 315 K C -1.522 175.078 176.600 -0.001 0.000 0.931 315 K CA -0.812 55.485 56.287 0.017 0.000 0.849 315 K CB 1.028 33.549 32.500 0.034 0.000 1.347 315 K HN -0.023 nan 8.250 nan 0.000 0.425 316 L N 4.127 125.344 121.223 -0.010 0.000 2.262 316 L HA 0.410 4.750 4.340 -0.000 0.000 0.288 316 L C 1.189 178.051 176.870 -0.014 0.000 1.035 316 L CA -0.606 54.221 54.840 -0.023 0.000 0.820 316 L CB 0.774 42.816 42.059 -0.028 0.000 1.204 316 L HN 0.669 nan 8.230 nan 0.000 0.424 317 I N 1.741 122.302 120.570 -0.015 0.000 2.429 317 I HA 0.104 4.274 4.170 -0.000 0.000 0.247 317 I C 1.484 177.590 176.117 -0.017 0.000 1.099 317 I CA 0.875 62.169 61.300 -0.009 0.000 1.422 317 I CB -0.149 37.849 38.000 -0.004 0.000 1.112 317 I HN 0.887 nan 8.210 nan 0.000 0.430 318 G N 0.694 109.478 108.800 -0.026 0.000 2.752 318 G HA2 0.077 4.037 3.960 -0.000 0.000 0.234 318 G HA3 0.077 4.037 3.960 -0.000 0.000 0.234 318 G C 0.248 175.129 174.900 -0.031 0.000 1.367 318 G CA -0.395 44.685 45.100 -0.032 0.000 0.879 318 G HN 1.210 nan 8.290 nan 0.000 0.563 319 G N -2.830 105.946 108.800 -0.040 0.000 3.409 319 G HA2 0.360 4.320 3.960 -0.000 0.000 0.686 319 G HA3 0.360 4.320 3.960 -0.000 0.000 0.686 319 G C 1.009 175.867 174.900 -0.071 0.000 1.017 319 G CA 0.991 46.065 45.100 -0.043 0.000 0.854 319 G HN 2.646 nan 8.290 nan 0.000 0.508 320 T N -0.275 114.197 114.554 -0.136 0.000 2.708 320 T HA -0.151 4.199 4.350 -0.000 0.000 0.266 320 T C 1.417 175.978 174.700 -0.231 0.000 1.037 320 T CA 1.979 63.938 62.100 -0.235 0.000 1.146 320 T CB -0.133 68.495 68.868 -0.400 0.000 0.865 320 T HN 0.736 nan 8.240 nan 0.000 0.435 321 H N 1.690 120.753 119.070 -0.012 0.000 2.704 321 H HA 0.698 5.254 4.556 -0.000 0.000 0.315 321 H C 0.264 175.584 175.328 -0.014 0.000 1.117 321 H CA -0.072 55.969 56.048 -0.012 0.000 1.129 321 H CB -0.906 28.849 29.762 -0.011 0.000 1.439 321 H HN 0.542 nan 8.280 nan 0.000 0.528 322 A N 2.335 125.193 122.820 0.064 0.000 2.292 322 A HA 0.399 4.719 4.320 -0.000 0.000 0.319 322 A C -2.170 175.430 177.584 0.026 0.000 1.206 322 A CA -1.721 50.336 52.037 0.035 0.000 0.835 322 A CB 0.742 19.748 19.000 0.010 0.000 1.164 322 A HN 0.017 nan 8.150 nan 0.000 0.505 323 P HA -0.014 nan 4.420 nan 0.000 0.258 323 P C 0.128 177.430 177.300 0.004 0.000 1.172 323 P CA 0.634 63.742 63.100 0.013 0.000 0.762 323 P CB 0.341 32.044 31.700 0.005 0.000 0.764 324 S N 3.233 118.934 115.700 0.002 0.000 2.693 324 S HA 0.273 4.743 4.470 -0.000 0.000 0.276 324 S C 1.503 176.090 174.600 -0.022 0.000 1.192 324 S CA -0.986 57.206 58.200 -0.014 0.000 0.994 324 S CB 0.644 63.836 63.200 -0.012 0.000 1.012 324 S HN 0.344 nan 8.310 nan 0.000 0.550 325 L N -0.244 120.940 121.223 -0.064 0.000 1.951 325 L HA -0.051 4.289 4.340 -0.000 0.000 0.222 325 L C 0.207 177.064 176.870 -0.021 0.000 1.078 325 L CA 1.392 56.157 54.840 -0.126 0.000 0.778 325 L CB -0.200 41.659 42.059 -0.333 0.000 0.893 325 L HN 0.575 nan 8.230 nan 0.000 0.436 326 I N -1.347 119.220 120.570 -0.005 0.000 2.377 326 I HA 0.179 4.349 4.170 -0.000 0.000 0.293 326 I C 0.531 176.665 176.117 0.028 0.000 0.987 326 I CA 0.324 61.654 61.300 0.051 0.000 1.185 326 I CB 1.115 39.148 38.000 0.054 0.000 1.341 326 I HN 0.082 nan 8.210 nan 0.000 0.455 327 S N 4.206 119.926 115.700 0.033 0.000 4.089 327 S HA 0.779 5.249 4.470 -0.000 0.000 0.191 327 S C 0.728 175.319 174.600 -0.016 0.000 0.964 327 S CA 0.502 58.707 58.200 0.008 0.000 1.612 327 S CB 0.259 63.466 63.200 0.011 0.000 0.736 327 S HN 1.141 nan 8.310 nan 0.000 0.773 328 G N 1.166 109.955 108.800 -0.018 0.000 2.641 328 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.254 328 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.254 328 G C 0.191 175.051 174.900 -0.066 0.000 1.315 328 G CA 0.515 45.590 45.100 -0.042 0.000 0.907 328 G HN 0.595 nan 8.290 nan 0.000 0.572 329 E N 1.304 121.446 120.200 -0.096 0.000 2.158 329 E HA 0.244 4.594 4.350 -0.000 0.000 0.191 329 E C 1.891 178.399 176.600 -0.154 0.000 0.982 329 E CA 1.853 58.191 56.400 -0.102 0.000 0.823 329 E CB -0.509 29.135 29.700 -0.093 0.000 0.766 329 E HN 2.012 nan 8.360 nan 0.000 0.468 330 G N 0.815 109.448 108.800 -0.278 0.000 2.645 330 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.239 330 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.239 330 G C -0.492 174.063 174.900 -0.576 0.000 1.331 330 G CA -0.168 44.685 45.100 -0.410 0.000 0.890 330 G HN 0.191 nan 8.290 nan 0.000 0.572 331 F N 1.182 121.152 119.950 0.033 0.000 2.500 331 F HA 0.428 4.955 4.527 -0.000 0.000 0.349 331 F C 1.560 177.374 175.800 0.022 0.000 1.127 331 F CA -0.693 57.324 58.000 0.028 0.000 0.998 331 F CB 1.876 40.894 39.000 0.031 0.000 1.237 331 F HN 0.521 nan 8.300 nan 0.000 0.439 332 Q N 0.736 120.644 119.800 0.179 0.000 2.096 332 Q HA -0.138 4.202 4.340 -0.000 0.000 0.204 332 Q C 0.767 176.829 176.000 0.104 0.000 0.982 332 Q CA 1.082 56.950 55.803 0.108 0.000 0.850 332 Q CB 0.056 28.840 28.738 0.077 0.000 0.901 332 Q HN 0.461 nan 8.270 nan 0.000 0.422 333 S N -0.804 114.966 115.700 0.115 0.000 2.472 333 S HA 0.224 4.694 4.470 -0.000 0.000 0.303 333 S C 0.846 175.479 174.600 0.054 0.000 1.099 333 S CA -0.606 57.635 58.200 0.068 0.000 1.077 333 S CB 0.921 64.145 63.200 0.040 0.000 1.031 333 S HN 0.089 nan 8.310 nan 0.000 0.487 334 M N 3.786 123.407 119.600 0.036 0.000 2.159 334 M HA -0.066 4.414 4.480 -0.000 0.000 0.263 334 M C 1.785 178.069 176.300 -0.027 0.000 1.063 334 M CA 1.532 56.842 55.300 0.017 0.000 1.110 334 M CB -1.358 31.254 32.600 0.020 0.000 1.374 334 M HN 0.772 nan 8.290 nan 0.000 0.411 335 K N -0.612 119.772 120.400 -0.027 0.000 2.442 335 K HA -0.079 4.241 4.320 -0.000 0.000 0.198 335 K C 0.851 177.398 176.600 -0.088 0.000 1.042 335 K CA 1.274 57.533 56.287 -0.046 0.000 0.958 335 K CB -0.453 32.029 32.500 -0.029 0.000 0.766 335 K HN 0.175 nan 8.250 nan 0.000 0.474 336 D N 0.140 120.470 120.400 -0.116 0.000 2.379 336 D HA 0.069 4.709 4.640 -0.000 0.000 0.208 336 D C -0.495 175.500 176.300 -0.508 0.000 1.065 336 D CA -0.006 53.864 54.000 -0.217 0.000 0.848 336 D CB 0.453 41.179 40.800 -0.123 0.000 0.949 336 D HN -0.029 nan 8.370 nan 0.000 0.509 337 V N 3.157 122.824 119.914 -0.412 0.000 2.470 337 V HA 0.144 4.264 4.120 -0.000 0.000 0.276 337 V C -1.802 174.082 176.094 -0.350 0.000 1.040 337 V CA -1.081 60.900 62.300 -0.533 0.000 1.008 337 V CB 0.986 32.742 31.823 -0.112 0.000 0.990 337 V HN -0.046 nan 8.190 nan 0.000 0.477 338 P HA 0.251 nan 4.420 nan 0.000 0.274 338 P C -0.774 176.474 177.300 -0.086 0.000 1.237 338 P CA -0.555 62.438 63.100 -0.179 0.000 0.793 338 P CB 0.558 32.172 31.700 -0.143 0.000 0.977 339 L N 2.469 123.645 121.223 -0.078 0.000 2.255 339 L HA 0.260 4.600 4.340 -0.000 0.000 0.289 339 L C -0.355 176.471 176.870 -0.074 0.000 1.046 339 L CA 0.090 54.889 54.840 -0.067 0.000 0.816 339 L CB -0.324 41.698 42.059 -0.062 0.000 1.197 339 L HN 0.249 nan 8.230 nan 0.000 0.427 340 L N 3.441 124.606 121.223 -0.097 0.000 2.946 340 L HA 0.509 4.849 4.340 -0.000 0.000 0.189 340 L C -0.154 176.600 176.870 -0.195 0.000 1.249 340 L CA -0.729 54.033 54.840 -0.130 0.000 1.098 340 L CB 0.333 42.292 42.059 -0.167 0.000 2.064 340 L HN 0.621 nan 8.230 nan 0.000 0.522 341 Q N -0.030 119.610 119.800 -0.267 0.000 2.429 341 Q HA 0.262 4.602 4.340 -0.000 0.000 0.247 341 Q C -1.848 174.007 176.000 -0.241 0.000 0.915 341 Q CA -0.521 55.146 55.803 -0.226 0.000 0.971 341 Q CB 1.332 30.016 28.738 -0.089 0.000 1.468 341 Q HN 0.256 nan 8.270 nan 0.000 0.439 342 F N 2.275 122.224 119.950 -0.001 0.000 2.543 342 F HA 0.113 4.640 4.527 -0.000 0.000 0.375 342 F C 1.508 177.303 175.800 -0.008 0.000 1.075 342 F CA 0.707 58.701 58.000 -0.011 0.000 1.225 342 F CB 1.175 40.175 39.000 -0.001 0.000 1.099 342 F HN 0.589 nan 8.300 nan 0.000 0.561 343 T N 0.696 115.353 114.554 0.173 0.000 3.021 343 T HA 0.005 4.354 4.350 -0.000 0.000 0.245 343 T C -0.236 174.519 174.700 0.091 0.000 1.028 343 T CA 0.743 62.902 62.100 0.099 0.000 1.139 343 T CB -0.065 68.841 68.868 0.064 0.000 0.884 343 T HN 0.644 nan 8.240 nan 0.000 0.457 344 D N -0.514 119.940 120.400 0.089 0.000 2.886 344 D HA 0.400 5.040 4.640 -0.000 0.000 0.216 344 D C -1.792 174.514 176.300 0.009 0.000 1.256 344 D CA -0.590 53.438 54.000 0.046 0.000 0.844 344 D CB 1.220 42.043 40.800 0.038 0.000 1.669 344 D HN 0.060 nan 8.370 nan 0.000 0.513 345 I N 2.892 123.454 120.570 -0.013 0.000 2.410 345 I HA 0.493 4.663 4.170 -0.000 0.000 0.286 345 I C -0.530 175.573 176.117 -0.023 0.000 1.009 345 I CA -0.492 60.780 61.300 -0.047 0.000 1.111 345 I CB 1.977 39.929 38.000 -0.079 0.000 1.262 345 I HN 0.449 nan 8.210 nan 0.000 0.443 346 T N 1.466 116.009 114.554 -0.018 0.000 2.933 346 T HA 0.407 4.757 4.350 -0.000 0.000 0.305 346 T C -0.879 173.832 174.700 0.019 0.000 1.092 346 T CA -0.885 61.219 62.100 0.006 0.000 1.008 346 T CB 1.985 70.866 68.868 0.021 0.000 1.102 346 T HN 0.557 nan 8.240 nan 0.000 0.469 347 Q N 1.736 121.552 119.800 0.028 0.000 2.296 347 Q HA 0.527 4.867 4.340 -0.000 0.000 0.257 347 Q C -1.304 174.730 176.000 0.057 0.000 0.942 347 Q CA -0.792 55.036 55.803 0.043 0.000 0.939 347 Q CB 0.414 29.171 28.738 0.033 0.000 1.198 347 Q HN 0.615 nan 8.270 nan 0.000 0.429 348 I N 5.142 125.764 120.570 0.085 0.000 2.330 348 I HA 0.408 4.578 4.170 -0.000 0.000 0.286 348 I C 0.838 176.993 176.117 0.063 0.000 1.025 348 I CA 0.562 61.914 61.300 0.086 0.000 1.197 348 I CB 0.936 39.020 38.000 0.141 0.000 1.358 348 I HN 0.913 nan 8.210 nan 0.000 0.467 349 G N 6.400 115.222 108.800 0.037 0.000 2.556 349 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.283 349 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.283 349 G C 0.852 175.771 174.900 0.033 0.000 1.177 349 G CA 0.468 45.583 45.100 0.025 0.000 0.978 349 G HN 0.764 nan 8.290 nan 0.000 0.554 350 R N 0.726 121.246 120.500 0.033 0.000 2.317 350 R HA 0.314 4.654 4.340 -0.000 0.000 0.208 350 R C -0.307 176.028 176.300 0.059 0.000 0.914 350 R CA 0.707 56.831 56.100 0.039 0.000 1.060 350 R CB 0.054 30.373 30.300 0.032 0.000 1.015 350 R HN 0.401 nan 8.270 nan 0.000 0.498 351 D N 1.092 121.537 120.400 0.076 0.000 2.332 351 D HA 0.381 5.021 4.640 -0.000 0.000 0.252 351 D C -0.159 176.213 176.300 0.120 0.000 1.050 351 D CA -0.455 53.614 54.000 0.115 0.000 0.970 351 D CB 1.492 42.376 40.800 0.140 0.000 1.141 351 D HN 0.025 nan 8.370 nan 0.000 0.485 352 I N 0.502 121.156 120.570 0.141 0.000 2.530 352 I HA 0.268 4.438 4.170 -0.000 0.000 0.297 352 I C 0.171 176.301 176.117 0.021 0.000 1.011 352 I CA -0.793 60.564 61.300 0.094 0.000 1.107 352 I CB 1.720 39.785 38.000 0.109 0.000 1.285 352 I HN -0.040 nan 8.210 nan 0.000 0.436 353 K N 7.291 127.657 120.400 -0.057 0.000 2.464 353 K HA 0.534 4.854 4.320 -0.000 0.000 0.252 353 K C -1.461 174.996 176.600 -0.238 0.000 1.000 353 K CA -0.476 55.653 56.287 -0.263 0.000 0.951 353 K CB 0.799 33.177 32.500 -0.204 0.000 1.183 353 K HN 0.572 nan 8.250 nan 0.000 0.445 354 L N 3.630 124.674 121.223 -0.298 0.000 2.307 354 L HA 0.448 4.788 4.340 -0.000 0.000 0.282 354 L C -0.058 176.696 176.870 -0.193 0.000 1.051 354 L CA -0.596 54.137 54.840 -0.179 0.000 0.804 354 L CB 1.725 43.721 42.059 -0.106 0.000 1.197 354 L HN 0.686 nan 8.230 nan 0.000 0.431 355 T N 0.188 114.708 114.554 -0.057 0.000 2.921 355 T HA 0.845 5.195 4.350 -0.000 0.000 0.297 355 T C -0.590 174.128 174.700 0.030 0.000 1.013 355 T CA -0.748 61.301 62.100 -0.085 0.000 0.990 355 T CB 2.183 71.012 68.868 -0.065 0.000 1.023 355 T HN 0.703 nan 8.240 nan 0.000 0.447 356 A N 2.665 125.438 122.820 -0.077 0.000 2.532 356 A HA 0.957 5.277 4.320 -0.000 0.000 0.290 356 A C -1.076 176.455 177.584 -0.089 0.000 1.143 356 A CA -1.118 50.861 52.037 -0.098 0.000 0.728 356 A CB 1.732 20.566 19.000 -0.277 0.000 1.317 356 A HN 0.827 nan 8.150 nan 0.000 0.414 357 K N 0.246 120.605 120.400 -0.069 0.000 2.482 357 K HA 0.583 4.903 4.320 -0.000 0.000 0.257 357 K C -2.934 173.645 176.600 -0.035 0.000 0.969 357 K CA -1.840 54.433 56.287 -0.024 0.000 0.842 357 K CB 2.136 34.633 32.500 -0.004 0.000 1.359 357 K HN 0.379 nan 8.250 nan 0.000 0.441 358 P HA -0.011 nan 4.420 nan 0.000 0.271 358 P C -0.632 176.622 177.300 -0.076 0.000 1.238 358 P CA 0.151 63.197 63.100 -0.090 0.000 0.794 358 P CB 0.321 31.901 31.700 -0.199 0.000 0.959 359 T N 0.000 114.505 114.554 -0.081 0.000 3.816 359 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 359 T CA 0.000 62.062 62.100 -0.064 0.000 1.349 359 T CB 0.000 68.834 68.868 -0.057 0.000 0.612 359 T HN 0.000 nan 8.240 nan 0.000 0.658