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 3k2w_1_B DATA FIRST_RESID 1 DATA SEQUENCE LTVQDLHFKN KVNFIGGQYV PSNESDTIDI LSPSTGKVIG EIPAGCKADA DATA SEQUENCE ENALEVAQAA QKAWAKLTAR TRQNMLRTFA NKIRENKHIL APMLVAEQGK DATA SEQUENCE LLSVAEMEVD VTATFIDYGC DNALTIEGDI LPSDNQDEKI YIHKVPRGVV DATA SEQUENCE VGITAWNFPL ALAGRKIGPA LITGNTMVLK PTQETPLATT ELGRIAKEAG DATA SEQUENCE LPDGVLNVIN GTGSVVGQTL CESPITKMIT MTGSTVAGKQ IYKTSAEYMT DATA SEQUENCE PVMLELGGKA PMVVMDDADL DKAAEDALWG RFANCGQVCT CVERLYVHAS DATA SEQUENCE VYDEFMAKFL PLVKGLKVGD PMDADSQMGP KCNQREIDNI DHIVHEAIKQ DATA SEQUENCE GATVATGGKT ATVEGFEGGC WYEPTVLVDV KQDNIVVHEE TFGPILPIVK DATA SEQUENCE VSSMEQAIEF CNDSIYGLSA YVHTQSFANI NQAISDLEVG EVYINRGMGE DATA SEQUENCE QHQGFHNGWK QSGFGGEDGK FGLEQYLEKK TVYINEAE 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 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.898 176.870 0.047 0.000 1.165 1 L CA 0.000 54.875 54.840 0.058 0.000 0.813 1 L CB 0.000 42.091 42.059 0.053 0.000 0.961 2 T N -1.058 113.522 114.554 0.043 0.000 2.923 2 T HA 0.461 4.816 4.350 0.007 0.000 0.281 2 T C 1.067 175.796 174.700 0.049 0.000 0.995 2 T CA -0.267 61.865 62.100 0.053 0.000 0.985 2 T CB 1.593 70.495 68.868 0.057 0.000 1.114 2 T HN 0.312 nan 8.240 nan 0.000 0.548 3 V N 2.319 122.281 119.914 0.080 0.000 2.324 3 V HA -0.201 3.923 4.120 0.007 0.000 0.250 3 V C 2.487 178.632 176.094 0.085 0.000 1.060 3 V CA 2.099 64.467 62.300 0.113 0.000 1.042 3 V CB -0.942 30.969 31.823 0.148 0.000 0.650 3 V HN 0.813 nan 8.190 nan 0.000 0.450 4 Q N -0.224 119.608 119.800 0.054 0.000 2.378 4 Q HA -0.090 4.254 4.340 0.007 0.000 0.205 4 Q C 1.594 177.575 176.000 -0.031 0.000 0.954 4 Q CA 1.144 56.959 55.803 0.019 0.000 0.901 4 Q CB -0.302 28.447 28.738 0.019 0.000 0.981 4 Q HN 0.550 nan 8.270 nan 0.000 0.483 5 D N 0.062 120.451 120.400 -0.018 0.000 2.347 5 D HA 0.037 4.682 4.640 0.007 0.000 0.213 5 D C -0.165 176.114 176.300 -0.034 0.000 0.985 5 D CA 0.331 54.327 54.000 -0.008 0.000 0.879 5 D CB 0.197 41.015 40.800 0.030 0.000 0.919 5 D HN 0.243 nan 8.370 nan 0.000 0.526 6 L N 1.154 122.275 121.223 -0.170 0.000 2.331 6 L HA 0.190 4.534 4.340 0.007 0.000 0.278 6 L C 0.533 177.109 176.870 -0.490 0.000 1.106 6 L CA -0.127 54.483 54.840 -0.385 0.000 0.824 6 L CB 0.782 42.388 42.059 -0.754 0.000 1.142 6 L HN -0.028 nan 8.230 nan 0.000 0.443 7 H N 4.362 123.189 119.070 -0.404 0.000 2.788 7 H HA 0.213 4.773 4.556 0.007 0.000 0.254 7 H C -0.498 174.692 175.328 -0.229 0.000 1.541 7 H CA -0.516 55.389 56.048 -0.238 0.000 1.295 7 H CB 0.056 29.736 29.762 -0.138 0.000 1.592 7 H HN 0.350 nan 8.280 nan 0.000 0.545 8 F N 1.814 121.772 119.950 0.014 0.000 2.506 8 F HA 0.012 4.544 4.527 0.007 0.000 0.351 8 F C 1.300 177.079 175.800 -0.035 0.000 1.136 8 F CA -0.245 57.752 58.000 -0.005 0.000 1.298 8 F CB 0.632 39.627 39.000 -0.008 0.000 1.145 8 F HN 0.112 nan 8.300 nan 0.000 0.593 9 K N 3.405 123.897 120.400 0.153 0.000 2.127 9 K HA 0.128 4.453 4.320 0.007 0.000 0.261 9 K C -0.565 176.072 176.600 0.062 0.000 1.129 9 K CA -0.138 56.143 56.287 -0.011 0.000 0.993 9 K CB -0.548 31.884 32.500 -0.113 0.000 1.410 9 K HN 0.485 nan 8.250 nan 0.000 0.380 10 N N 1.829 120.562 118.700 0.054 0.000 2.498 10 N HA 0.106 4.850 4.740 0.007 0.000 0.287 10 N C 0.162 175.702 175.510 0.050 0.000 1.097 10 N CA -0.277 52.805 53.050 0.053 0.000 0.973 10 N CB 1.022 39.538 38.487 0.048 0.000 1.153 10 N HN 0.281 nan 8.380 nan 0.000 0.472 11 K N -1.817 118.614 120.400 0.052 0.000 3.160 11 K HA -0.177 4.147 4.320 0.007 0.000 0.280 11 K C -0.431 176.216 176.600 0.078 0.000 1.154 11 K CA 0.507 56.826 56.287 0.053 0.000 0.822 11 K CB -1.870 30.654 32.500 0.040 0.000 1.239 11 K HN 0.457 nan 8.250 nan 0.000 0.489 12 V N -2.820 117.163 119.914 0.115 0.000 3.007 12 V HA 0.630 4.754 4.120 0.007 0.000 0.311 12 V C -0.160 176.059 176.094 0.207 0.000 1.120 12 V CA -1.260 61.146 62.300 0.177 0.000 0.980 12 V CB 2.231 34.216 31.823 0.270 0.000 1.033 12 V HN 0.096 nan 8.190 nan 0.000 0.429 13 N N 0.872 119.683 118.700 0.185 0.000 2.483 13 N HA 0.585 5.329 4.740 0.007 0.000 0.285 13 N C -1.494 174.131 175.510 0.192 0.000 1.210 13 N CA -0.349 52.802 53.050 0.169 0.000 0.931 13 N CB 2.209 40.744 38.487 0.080 0.000 1.220 13 N HN 0.855 nan 8.380 nan 0.000 0.542 14 F N 1.149 121.060 119.950 -0.064 0.000 2.375 14 F HA 0.573 5.105 4.527 0.007 0.000 0.361 14 F C -0.792 174.902 175.800 -0.176 0.000 1.117 14 F CA -0.565 57.274 58.000 -0.268 0.000 1.037 14 F CB 0.427 39.160 39.000 -0.445 0.000 1.192 14 F HN 0.248 nan 8.300 nan 0.000 0.452 15 I N 4.593 124.843 120.570 -0.533 0.000 2.607 15 I HA 0.390 4.564 4.170 0.007 0.000 0.290 15 I C 0.500 176.323 176.117 -0.491 0.000 1.129 15 I CA -0.826 60.261 61.300 -0.356 0.000 1.042 15 I CB 2.194 40.083 38.000 -0.185 0.000 1.242 15 I HN 0.739 nan 8.210 nan 0.000 0.421 16 G N 3.795 112.375 108.800 -0.366 0.000 2.225 16 G HA2 -0.101 3.864 3.960 0.007 0.000 0.267 16 G HA3 -0.101 3.864 3.960 0.007 0.000 0.267 16 G C 0.990 175.661 174.900 -0.381 0.000 1.024 16 G CA 0.647 45.569 45.100 -0.298 0.000 0.784 16 G HN 1.767 nan 8.290 nan 0.000 0.507 17 G N -2.469 105.943 108.800 -0.647 0.000 2.176 17 G HA2 -0.148 3.816 3.960 0.007 0.000 0.253 17 G HA3 -0.148 3.816 3.960 0.007 0.000 0.253 17 G C 0.106 174.567 174.900 -0.732 0.000 0.979 17 G CA 1.057 45.822 45.100 -0.558 0.000 0.641 17 G HN 1.284 nan 8.290 nan 0.000 0.530 18 Q N -0.653 118.560 119.800 -0.978 0.000 2.365 18 Q HA 0.545 4.890 4.340 0.007 0.000 0.269 18 Q C -0.847 174.773 176.000 -0.633 0.000 1.061 18 Q CA -0.978 54.503 55.803 -0.536 0.000 0.816 18 Q CB 1.310 29.896 28.738 -0.254 0.000 1.325 18 Q HN 0.294 nan 8.270 nan 0.000 0.446 19 Y N 0.887 121.163 120.300 -0.041 0.000 2.537 19 Y HA 0.235 4.790 4.550 0.007 0.000 0.339 19 Y C 0.704 176.602 175.900 -0.003 0.000 1.066 19 Y CA -0.288 57.859 58.100 0.078 0.000 1.357 19 Y CB 0.443 39.011 38.460 0.180 0.000 1.175 19 Y HN 0.251 nan 8.280 nan 0.000 0.525 20 V N 3.210 123.183 119.914 0.098 0.000 2.815 20 V HA 0.735 4.859 4.120 0.007 0.000 0.314 20 V C -2.620 173.518 176.094 0.073 0.000 1.064 20 V CA -3.044 59.283 62.300 0.045 0.000 0.952 20 V CB 1.895 33.700 31.823 -0.031 0.000 1.020 20 V HN 0.452 nan 8.190 nan 0.000 0.439 21 P HA 0.210 nan 4.420 nan 0.000 0.274 21 P C 0.042 177.362 177.300 0.035 0.000 1.246 21 P CA 0.054 63.183 63.100 0.049 0.000 0.795 21 P CB 1.169 32.890 31.700 0.036 0.000 1.006 22 S N 0.897 116.618 115.700 0.036 0.000 2.584 22 S HA 0.025 4.499 4.470 0.007 0.000 0.270 22 S C 1.399 176.009 174.600 0.018 0.000 1.346 22 S CA -0.350 57.865 58.200 0.026 0.000 1.018 22 S CB -0.489 62.728 63.200 0.028 0.000 0.899 22 S HN 0.301 nan 8.310 nan 0.000 0.542 23 N N 1.517 120.224 118.700 0.012 0.000 2.459 23 N HA -0.005 4.739 4.740 0.007 0.000 0.181 23 N C 0.240 175.756 175.510 0.010 0.000 1.046 23 N CA 0.624 53.679 53.050 0.009 0.000 0.904 23 N CB 0.059 38.549 38.487 0.005 0.000 0.964 23 N HN 0.701 nan 8.380 nan 0.000 0.444 24 E N -0.156 120.052 120.200 0.013 0.000 2.212 24 E HA 0.179 4.533 4.350 0.007 0.000 0.268 24 E C 0.411 177.020 176.600 0.015 0.000 0.902 24 E CA -0.305 56.103 56.400 0.013 0.000 0.779 24 E CB 1.324 31.032 29.700 0.013 0.000 1.172 24 E HN 0.008 nan 8.360 nan 0.000 0.409 25 S N 2.664 118.371 115.700 0.013 0.000 2.470 25 S HA -0.069 4.405 4.470 0.007 0.000 0.225 25 S C 0.651 175.259 174.600 0.013 0.000 1.006 25 S CA 0.178 58.386 58.200 0.014 0.000 0.934 25 S CB 0.106 63.313 63.200 0.011 0.000 0.778 25 S HN 0.554 nan 8.310 nan 0.000 0.517 26 D N 2.919 123.326 120.400 0.012 0.000 2.525 26 D HA 0.182 4.826 4.640 0.007 0.000 0.235 26 D C 0.315 176.623 176.300 0.013 0.000 1.137 26 D CA 0.911 54.918 54.000 0.011 0.000 0.868 26 D CB 1.107 41.913 40.800 0.011 0.000 1.180 26 D HN 0.587 nan 8.370 nan 0.000 0.465 27 T N 0.490 115.050 114.554 0.010 0.000 2.930 27 T HA 0.722 5.077 4.350 0.007 0.000 0.290 27 T C 0.167 174.870 174.700 0.004 0.000 1.052 27 T CA -0.929 61.177 62.100 0.009 0.000 1.017 27 T CB 1.025 69.897 68.868 0.008 0.000 1.137 27 T HN 0.282 nan 8.240 nan 0.000 0.511 28 I N 1.736 122.306 120.570 0.001 0.000 2.447 28 I HA 0.321 4.496 4.170 0.007 0.000 0.287 28 I C -0.873 175.233 176.117 -0.018 0.000 1.023 28 I CA -1.018 60.279 61.300 -0.006 0.000 1.083 28 I CB 1.867 39.865 38.000 -0.003 0.000 1.245 28 I HN 0.620 nan 8.210 nan 0.000 0.434 29 D N 6.386 126.770 120.400 -0.025 0.000 2.382 29 D HA 0.287 4.931 4.640 0.007 0.000 0.245 29 D C -0.118 176.147 176.300 -0.058 0.000 1.120 29 D CA 0.098 54.074 54.000 -0.040 0.000 0.890 29 D CB 1.326 42.104 40.800 -0.036 0.000 1.201 29 D HN 0.123 nan 8.370 nan 0.000 0.433 30 I N 2.338 122.856 120.570 -0.087 0.000 2.336 30 I HA 0.244 4.419 4.170 0.007 0.000 0.292 30 I C -0.069 175.974 176.117 -0.123 0.000 0.991 30 I CA -0.715 60.515 61.300 -0.118 0.000 1.227 30 I CB 0.725 38.620 38.000 -0.175 0.000 1.366 30 I HN 0.093 nan 8.210 nan 0.000 0.466 31 L N 4.291 125.448 121.223 -0.111 0.000 2.325 31 L HA 0.379 4.723 4.340 0.007 0.000 0.278 31 L C 0.586 177.393 176.870 -0.104 0.000 1.023 31 L CA -0.177 54.607 54.840 -0.094 0.000 0.811 31 L CB 1.720 43.729 42.059 -0.083 0.000 1.249 31 L HN 0.634 nan 8.230 nan 0.000 0.431 32 S N 3.588 119.244 115.700 -0.073 0.000 2.505 32 S HA 0.297 4.771 4.470 0.007 0.000 0.276 32 S C -1.717 172.828 174.600 -0.092 0.000 1.274 32 S CA -0.969 57.195 58.200 -0.060 0.000 1.053 32 S CB 0.741 63.946 63.200 0.008 0.000 0.919 32 S HN 0.457 nan 8.310 nan 0.000 0.490 33 P HA -0.067 nan 4.420 nan 0.000 0.220 33 P C 1.385 178.485 177.300 -0.334 0.000 1.148 33 P CA 0.919 63.867 63.100 -0.254 0.000 0.803 33 P CB 0.036 31.558 31.700 -0.296 0.000 0.782 34 S N -1.869 113.712 115.700 -0.198 0.000 2.406 34 S HA -0.061 4.413 4.470 0.007 0.000 0.224 34 S C 1.869 176.690 174.600 0.368 0.000 1.030 34 S CA 1.524 59.664 58.200 -0.100 0.000 0.958 34 S CB -1.592 61.614 63.200 0.011 0.000 0.811 34 S HN 0.257 nan 8.310 nan 0.000 0.489 35 T N -3.516 111.206 114.554 0.281 0.000 3.000 35 T HA 0.530 4.885 4.350 0.007 0.000 0.248 35 T C 1.715 176.506 174.700 0.151 0.000 1.034 35 T CA 0.959 63.242 62.100 0.305 0.000 1.060 35 T CB -0.009 68.998 68.868 0.232 0.000 0.983 35 T HN 1.195 nan 8.240 nan 0.000 0.482 36 G N 1.580 110.422 108.800 0.069 0.000 2.217 36 G HA2 -0.223 3.741 3.960 0.007 0.000 0.246 36 G HA3 -0.223 3.741 3.960 0.007 0.000 0.246 36 G C 0.001 174.907 174.900 0.009 0.000 0.990 36 G CA 0.100 45.216 45.100 0.025 0.000 0.627 36 G HN 0.706 nan 8.290 nan 0.000 0.522 37 K N 0.535 120.947 120.400 0.020 0.000 2.237 37 K HA 0.514 4.839 4.320 0.007 0.000 0.270 37 K C 0.660 177.251 176.600 -0.014 0.000 1.015 37 K CA -0.542 55.750 56.287 0.008 0.000 0.949 37 K CB 1.867 34.381 32.500 0.022 0.000 0.976 37 K HN 0.022 nan 8.250 nan 0.000 0.472 38 V N 5.428 125.330 119.914 -0.020 0.000 2.434 38 V HA -0.063 4.062 4.120 0.007 0.000 0.281 38 V C 1.259 177.330 176.094 -0.038 0.000 1.005 38 V CA 0.545 62.823 62.300 -0.037 0.000 1.089 38 V CB -0.664 31.142 31.823 -0.028 0.000 0.978 38 V HN 0.692 nan 8.190 nan 0.000 0.474 39 I N 2.597 123.117 120.570 -0.085 0.000 3.265 39 I HA 0.635 4.810 4.170 0.007 0.000 0.282 39 I C 0.922 176.926 176.117 -0.187 0.000 1.207 39 I CA 0.723 61.960 61.300 -0.105 0.000 1.449 39 I CB 0.303 38.208 38.000 -0.159 0.000 1.121 39 I HN 0.592 nan 8.210 nan 0.000 0.442 40 G N 1.354 110.023 108.800 -0.219 0.000 2.548 40 G HA2 0.539 4.503 3.960 0.007 0.000 0.301 40 G HA3 0.539 4.503 3.960 0.007 0.000 0.301 40 G C -2.032 172.802 174.900 -0.110 0.000 1.349 40 G CA -0.311 44.684 45.100 -0.175 0.000 0.792 40 G HN 0.315 nan 8.290 nan 0.000 0.481 41 E N -0.782 119.380 120.200 -0.063 0.000 2.321 41 E HA 0.511 4.865 4.350 0.007 0.000 0.281 41 E C -1.289 175.306 176.600 -0.007 0.000 0.910 41 E CA -0.807 55.573 56.400 -0.034 0.000 0.770 41 E CB 1.995 31.684 29.700 -0.018 0.000 1.225 41 E HN 0.883 nan 8.360 nan 0.000 0.417 42 I N -1.154 119.415 120.570 -0.001 0.000 2.822 42 I HA 0.639 4.813 4.170 0.007 0.000 0.312 42 I C -2.560 173.573 176.117 0.026 0.000 1.011 42 I CA -3.072 58.242 61.300 0.023 0.000 1.105 42 I CB 1.463 39.479 38.000 0.026 0.000 1.291 42 I HN 0.208 nan 8.210 nan 0.000 0.474 43 P HA 0.087 nan 4.420 nan 0.000 0.269 43 P C 0.115 177.431 177.300 0.027 0.000 1.209 43 P CA -0.036 63.083 63.100 0.032 0.000 0.776 43 P CB 1.005 32.729 31.700 0.040 0.000 0.876 44 A N 3.028 125.861 122.820 0.021 0.000 2.014 44 A HA 0.342 4.667 4.320 0.007 0.000 0.218 44 A C 1.102 178.699 177.584 0.022 0.000 1.163 44 A CA 1.399 53.447 52.037 0.019 0.000 0.652 44 A CB -1.420 17.589 19.000 0.015 0.000 0.808 44 A HN 0.799 nan 8.150 nan 0.000 0.449 45 G N -2.445 106.369 108.800 0.023 0.000 2.746 45 G HA2 0.164 4.128 3.960 0.007 0.000 0.685 45 G HA3 0.164 4.128 3.960 0.007 0.000 0.685 45 G C -0.243 174.669 174.900 0.019 0.000 1.350 45 G CA -0.335 44.779 45.100 0.023 0.000 0.837 45 G HN 2.181 nan 8.290 nan 0.000 0.564 46 C N -1.408 117.902 119.300 0.018 0.000 3.320 46 C HA 0.816 5.280 4.460 0.007 0.000 0.335 46 C C 1.312 176.310 174.990 0.013 0.000 1.430 46 C CA -0.306 58.721 59.018 0.015 0.000 1.271 46 C CB 1.323 29.070 27.740 0.012 0.000 1.609 46 C HN 1.051 nan 8.230 nan 0.000 0.457 47 K N 0.511 120.918 120.400 0.012 0.000 2.211 47 K HA -0.020 4.304 4.320 0.007 0.000 0.203 47 K C 1.958 178.562 176.600 0.006 0.000 1.050 47 K CA 1.609 57.903 56.287 0.011 0.000 0.945 47 K CB -0.237 32.270 32.500 0.012 0.000 0.732 47 K HN 0.788 nan 8.250 nan 0.000 0.451 48 A N 1.446 124.270 122.820 0.005 0.000 2.119 48 A HA -0.103 4.222 4.320 0.007 0.000 0.216 48 A C 1.390 178.973 177.584 -0.002 0.000 1.152 48 A CA 1.111 53.148 52.037 0.001 0.000 0.708 48 A CB -0.029 18.971 19.000 0.001 0.000 0.805 48 A HN 0.105 nan 8.150 nan 0.000 0.460 49 D N 0.372 120.774 120.400 0.003 0.000 2.091 49 D HA 0.013 4.657 4.640 0.007 0.000 0.199 49 D C 2.293 178.592 176.300 -0.001 0.000 0.980 49 D CA 1.579 55.580 54.000 0.002 0.000 0.831 49 D CB -0.417 40.389 40.800 0.011 0.000 0.987 49 D HN 0.356 nan 8.370 nan 0.000 0.460 50 A N 1.142 123.963 122.820 0.003 0.000 1.898 50 A HA -0.155 4.169 4.320 0.007 0.000 0.216 50 A C 2.055 179.635 177.584 -0.007 0.000 1.181 50 A CA 1.212 53.249 52.037 0.002 0.000 0.620 50 A CB -0.345 18.660 19.000 0.008 0.000 0.819 50 A HN 0.017 nan 8.150 nan 0.000 0.442 51 E N 0.163 120.358 120.200 -0.008 0.000 2.110 51 E HA -0.187 4.168 4.350 0.007 0.000 0.193 51 E C 1.919 178.507 176.600 -0.020 0.000 0.988 51 E CA 1.004 57.395 56.400 -0.014 0.000 0.804 51 E CB -0.401 29.293 29.700 -0.011 0.000 0.745 51 E HN 0.741 nan 8.360 nan 0.000 0.458 52 N N 0.611 119.299 118.700 -0.020 0.000 2.080 52 N HA -0.140 4.604 4.740 0.007 0.000 0.189 52 N C 1.863 177.350 175.510 -0.037 0.000 1.036 52 N CA 1.459 54.492 53.050 -0.028 0.000 0.846 52 N CB 0.025 38.495 38.487 -0.028 0.000 1.015 52 N HN 0.050 nan 8.380 nan 0.000 0.423 53 A N 1.823 124.624 122.820 -0.033 0.000 1.892 53 A HA -0.126 4.198 4.320 0.007 0.000 0.218 53 A C 2.508 180.070 177.584 -0.038 0.000 1.188 53 A CA 1.191 53.205 52.037 -0.038 0.000 0.631 53 A CB -0.907 18.080 19.000 -0.021 0.000 0.822 53 A HN 0.366 nan 8.150 nan 0.000 0.447 54 L N -1.035 120.170 121.223 -0.029 0.000 2.017 54 L HA -0.213 4.132 4.340 0.007 0.000 0.208 54 L C 2.619 179.468 176.870 -0.035 0.000 1.073 54 L CA 1.787 56.609 54.840 -0.030 0.000 0.745 54 L CB -0.543 41.499 42.059 -0.028 0.000 0.894 54 L HN 0.459 nan 8.230 nan 0.000 0.432 55 E N -0.675 119.504 120.200 -0.035 0.000 2.153 55 E HA -0.193 4.162 4.350 0.007 0.000 0.194 55 E C 2.210 178.787 176.600 -0.039 0.000 0.988 55 E CA 1.148 57.526 56.400 -0.035 0.000 0.811 55 E CB 0.059 29.740 29.700 -0.033 0.000 0.746 55 E HN 0.274 nan 8.360 nan 0.000 0.466 56 V N 0.799 120.684 119.914 -0.048 0.000 2.346 56 V HA -0.192 3.932 4.120 0.007 0.000 0.244 56 V C 2.262 178.318 176.094 -0.063 0.000 1.037 56 V CA 1.554 63.818 62.300 -0.061 0.000 1.029 56 V CB -0.595 31.179 31.823 -0.081 0.000 0.663 56 V HN 0.313 nan 8.190 nan 0.000 0.454 57 A N -0.560 122.223 122.820 -0.063 0.000 1.884 57 A HA -0.386 3.938 4.320 0.007 0.000 0.219 57 A C 2.244 179.805 177.584 -0.038 0.000 1.197 57 A CA 2.632 54.632 52.037 -0.062 0.000 0.637 57 A CB -0.723 18.245 19.000 -0.052 0.000 0.827 57 A HN 0.603 nan 8.150 nan 0.000 0.450 58 Q N -0.953 118.830 119.800 -0.028 0.000 2.084 58 Q HA -0.118 4.226 4.340 0.007 0.000 0.202 58 Q C 2.128 178.123 176.000 -0.008 0.000 0.978 58 Q CA 1.531 57.326 55.803 -0.015 0.000 0.844 58 Q CB -0.317 28.408 28.738 -0.021 0.000 0.898 58 Q HN 0.645 nan 8.270 nan 0.000 0.426 59 A N -0.020 122.789 122.820 -0.018 0.000 2.066 59 A HA 0.053 4.377 4.320 0.007 0.000 0.218 59 A C 2.025 179.607 177.584 -0.005 0.000 1.157 59 A CA 1.211 53.240 52.037 -0.013 0.000 0.670 59 A CB -0.399 18.588 19.000 -0.023 0.000 0.804 59 A HN 0.497 nan 8.150 nan 0.000 0.453 60 A N -1.437 121.376 122.820 -0.011 0.000 2.072 60 A HA -0.030 4.294 4.320 0.007 0.000 0.216 60 A C 2.079 179.701 177.584 0.063 0.000 1.156 60 A CA 1.170 53.209 52.037 0.003 0.000 0.701 60 A CB -0.297 18.672 19.000 -0.053 0.000 0.816 60 A HN 0.453 nan 8.150 nan 0.000 0.458 61 Q N 0.285 120.122 119.800 0.061 0.000 2.119 61 Q HA -0.177 4.167 4.340 0.007 0.000 0.201 61 Q C 1.734 177.818 176.000 0.140 0.000 0.972 61 Q CA 1.697 57.574 55.803 0.123 0.000 0.847 61 Q CB -0.099 28.691 28.738 0.087 0.000 0.903 61 Q HN 0.535 nan 8.270 nan 0.000 0.433 62 K N 0.295 120.743 120.400 0.081 0.000 2.057 62 K HA -0.063 4.261 4.320 0.007 0.000 0.207 62 K C 1.943 178.583 176.600 0.067 0.000 1.049 62 K CA 1.423 57.745 56.287 0.059 0.000 0.931 62 K CB -0.475 32.044 32.500 0.031 0.000 0.714 62 K HN 0.258 nan 8.250 nan 0.000 0.440 63 A N 0.313 123.184 122.820 0.084 0.000 1.933 63 A HA -0.194 4.130 4.320 0.007 0.000 0.218 63 A C 2.066 179.740 177.584 0.150 0.000 1.175 63 A CA 1.343 53.435 52.037 0.091 0.000 0.628 63 A CB -0.942 18.108 19.000 0.083 0.000 0.814 63 A HN 0.642 nan 8.150 nan 0.000 0.444 64 W N 0.600 121.891 121.300 -0.015 0.000 2.354 64 W HA -0.157 4.507 4.660 0.007 0.000 0.315 64 W C 2.232 178.745 176.519 -0.011 0.000 1.206 64 W CA 1.636 58.972 57.345 -0.015 0.000 1.290 64 W CB -0.183 29.267 29.460 -0.016 0.000 1.152 64 W HN 0.401 nan 8.180 nan 0.000 0.489 65 A N 0.605 123.428 122.820 0.005 0.000 2.070 65 A HA -0.210 4.115 4.320 0.007 0.000 0.220 65 A C 1.981 179.488 177.584 -0.128 0.000 1.159 65 A CA 1.663 53.624 52.037 -0.126 0.000 0.656 65 A CB -0.803 18.192 19.000 -0.007 0.000 0.800 65 A HN 0.369 nan 8.150 nan 0.000 0.453 66 K N -0.486 119.871 120.400 -0.073 0.000 2.211 66 K HA 0.041 4.365 4.320 0.007 0.000 0.203 66 K C 0.266 176.806 176.600 -0.100 0.000 1.050 66 K CA 0.092 56.340 56.287 -0.065 0.000 0.945 66 K CB -0.278 32.208 32.500 -0.024 0.000 0.732 66 K HN 0.497 nan 8.250 nan 0.000 0.451 67 L N 1.989 123.120 121.223 -0.153 0.000 2.483 67 L HA -0.014 4.330 4.340 0.007 0.000 0.275 67 L C 0.850 177.596 176.870 -0.207 0.000 1.220 67 L CA -0.184 54.546 54.840 -0.183 0.000 0.833 67 L CB 0.440 42.339 42.059 -0.267 0.000 1.102 67 L HN 0.264 nan 8.230 nan 0.000 0.490 68 T N -1.159 113.300 114.554 -0.159 0.000 2.868 68 T HA 0.277 4.631 4.350 0.007 0.000 0.292 68 T C 1.115 175.709 174.700 -0.177 0.000 1.028 68 T CA -0.241 61.777 62.100 -0.137 0.000 1.059 68 T CB 1.421 70.234 68.868 -0.091 0.000 0.991 68 T HN 0.660 nan 8.240 nan 0.000 0.531 69 A N 1.186 123.919 122.820 -0.145 0.000 1.940 69 A HA -0.093 4.232 4.320 0.007 0.000 0.219 69 A C 2.484 179.999 177.584 -0.115 0.000 1.176 69 A CA 1.763 53.715 52.037 -0.142 0.000 0.631 69 A CB -0.851 18.090 19.000 -0.100 0.000 0.814 69 A HN 0.968 nan 8.150 nan 0.000 0.446 70 R N -0.737 119.711 120.500 -0.088 0.000 2.073 70 R HA -0.120 4.225 4.340 0.007 0.000 0.234 70 R C 2.180 178.443 176.300 -0.062 0.000 1.134 70 R CA 2.093 58.155 56.100 -0.062 0.000 0.952 70 R CB -0.669 29.604 30.300 -0.046 0.000 0.850 70 R HN 0.484 nan 8.270 nan 0.000 0.433 71 T N 0.710 115.215 114.554 -0.081 0.000 2.684 71 T HA -0.157 4.197 4.350 0.007 0.000 0.267 71 T C 1.844 176.490 174.700 -0.089 0.000 1.036 71 T CA 1.589 63.645 62.100 -0.073 0.000 1.148 71 T CB -0.241 68.574 68.868 -0.088 0.000 0.863 71 T HN 0.352 nan 8.240 nan 0.000 0.436 72 R N 0.651 121.029 120.500 -0.204 0.000 2.096 72 R HA -0.105 4.240 4.340 0.007 0.000 0.235 72 R C 2.735 179.016 176.300 -0.031 0.000 1.127 72 R CA 1.362 57.312 56.100 -0.250 0.000 0.968 72 R CB -0.289 29.716 30.300 -0.491 0.000 0.861 72 R HN 0.511 nan 8.270 nan 0.000 0.440 73 Q N 0.461 120.237 119.800 -0.040 0.000 2.084 73 Q HA -0.162 4.182 4.340 0.007 0.000 0.202 73 Q C 1.441 177.465 176.000 0.040 0.000 0.978 73 Q CA 1.471 57.276 55.803 0.004 0.000 0.844 73 Q CB 0.104 28.830 28.738 -0.020 0.000 0.898 73 Q HN 0.300 nan 8.270 nan 0.000 0.426 74 N N 0.022 118.741 118.700 0.032 0.000 2.171 74 N HA -0.089 4.656 4.740 0.007 0.000 0.184 74 N C 1.761 177.324 175.510 0.089 0.000 1.021 74 N CA 1.180 54.260 53.050 0.049 0.000 0.854 74 N CB -0.254 38.251 38.487 0.031 0.000 0.994 74 N HN 0.294 nan 8.380 nan 0.000 0.426 75 M N 0.349 120.017 119.600 0.112 0.000 2.106 75 M HA -0.129 4.355 4.480 0.007 0.000 0.259 75 M C 1.718 178.145 176.300 0.212 0.000 1.068 75 M CA 1.472 56.873 55.300 0.168 0.000 1.100 75 M CB -0.224 32.522 32.600 0.244 0.000 1.351 75 M HN 0.068 nan 8.290 nan 0.000 0.404 76 L N -1.438 119.922 121.223 0.228 0.000 2.375 76 L HA -0.042 4.302 4.340 0.007 0.000 0.215 76 L C 2.494 179.494 176.870 0.216 0.000 1.108 76 L CA 0.365 55.374 54.840 0.281 0.000 0.830 76 L CB -0.437 41.783 42.059 0.268 0.000 0.959 76 L HN 0.208 nan 8.230 nan 0.000 0.457 77 R N -0.355 120.229 120.500 0.141 0.000 2.075 77 R HA -0.078 4.266 4.340 0.007 0.000 0.232 77 R C 2.221 178.581 176.300 0.101 0.000 1.126 77 R CA 1.708 57.866 56.100 0.096 0.000 0.963 77 R CB -0.664 29.675 30.300 0.065 0.000 0.858 77 R HN 0.287 nan 8.270 nan 0.000 0.435 78 T N 1.569 116.197 114.554 0.124 0.000 2.684 78 T HA -0.178 4.176 4.350 0.007 0.000 0.267 78 T C 1.435 176.241 174.700 0.176 0.000 1.036 78 T CA 1.407 63.583 62.100 0.126 0.000 1.148 78 T CB -0.399 68.542 68.868 0.121 0.000 0.863 78 T HN 0.133 nan 8.240 nan 0.000 0.436 79 F N 2.507 122.483 119.950 0.044 0.000 2.091 79 F HA -0.107 4.425 4.527 0.007 0.000 0.299 79 F C 2.475 178.295 175.800 0.033 0.000 1.103 79 F CA 0.995 59.014 58.000 0.033 0.000 1.228 79 F CB -1.047 37.972 39.000 0.032 0.000 0.984 79 F HN 0.159 nan 8.300 nan 0.000 0.477 80 A N 0.073 122.842 122.820 -0.085 0.000 1.969 80 A HA -0.173 4.151 4.320 0.007 0.000 0.218 80 A C 2.089 179.621 177.584 -0.088 0.000 1.169 80 A CA 1.642 53.576 52.037 -0.173 0.000 0.635 80 A CB -0.809 18.158 19.000 -0.055 0.000 0.810 80 A HN 0.493 nan 8.150 nan 0.000 0.445 81 N N 0.168 118.860 118.700 -0.013 0.000 2.106 81 N HA -0.092 4.653 4.740 0.007 0.000 0.188 81 N C 1.600 177.112 175.510 0.003 0.000 1.029 81 N CA 1.291 54.345 53.050 0.006 0.000 0.848 81 N CB -0.271 38.235 38.487 0.032 0.000 1.007 81 N HN 0.480 nan 8.380 nan 0.000 0.423 82 K N 0.604 121.016 120.400 0.020 0.000 2.148 82 K HA 0.027 4.351 4.320 0.007 0.000 0.204 82 K C 2.066 178.659 176.600 -0.013 0.000 1.050 82 K CA 0.448 56.756 56.287 0.036 0.000 0.942 82 K CB -0.119 32.442 32.500 0.100 0.000 0.724 82 K HN 0.195 nan 8.250 nan 0.000 0.446 83 I N 0.955 121.455 120.570 -0.115 0.000 2.208 83 I HA -0.318 3.857 4.170 0.007 0.000 0.245 83 I C 2.385 178.460 176.117 -0.069 0.000 1.097 83 I CA 1.423 62.630 61.300 -0.154 0.000 1.363 83 I CB -0.159 37.648 38.000 -0.321 0.000 1.051 83 I HN 0.131 nan 8.210 nan 0.000 0.413 84 R N 0.431 120.903 120.500 -0.047 0.000 2.092 84 R HA -0.158 4.186 4.340 0.007 0.000 0.231 84 R C 2.073 178.390 176.300 0.028 0.000 1.119 84 R CA 1.286 57.382 56.100 -0.006 0.000 0.970 84 R CB -0.279 30.020 30.300 -0.002 0.000 0.864 84 R HN 0.448 nan 8.270 nan 0.000 0.440 85 E N 0.227 120.448 120.200 0.036 0.000 2.268 85 E HA -0.066 4.288 4.350 0.007 0.000 0.195 85 E C 0.801 177.483 176.600 0.136 0.000 0.995 85 E CA 0.543 56.990 56.400 0.078 0.000 0.836 85 E CB 0.070 29.810 29.700 0.066 0.000 0.763 85 E HN 0.307 nan 8.360 nan 0.000 0.491 86 N N 1.002 119.732 118.700 0.050 0.000 2.295 86 N HA -0.005 4.739 4.740 0.007 0.000 0.221 86 N C 1.054 176.502 175.510 -0.103 0.000 1.129 86 N CA -0.010 53.008 53.050 -0.053 0.000 0.836 86 N CB 0.422 38.867 38.487 -0.070 0.000 1.040 86 N HN 0.116 nan 8.380 nan 0.000 0.494 87 K N 1.441 121.851 120.400 0.016 0.000 2.063 87 K HA -0.184 4.140 4.320 0.007 0.000 0.208 87 K C 1.951 178.551 176.600 -0.001 0.000 1.048 87 K CA 1.305 57.603 56.287 0.019 0.000 0.928 87 K CB -0.105 32.431 32.500 0.059 0.000 0.713 87 K HN 0.395 nan 8.250 nan 0.000 0.442 88 H N -0.248 118.825 119.070 0.004 0.000 2.518 88 H HA -0.065 4.496 4.556 0.007 0.000 0.289 88 H C 1.790 177.117 175.328 -0.001 0.000 1.051 88 H CA 1.239 57.289 56.048 0.003 0.000 1.280 88 H CB -0.199 29.562 29.762 -0.000 0.000 1.380 88 H HN 0.292 nan 8.280 nan 0.000 0.566 89 I N -0.053 120.193 120.570 -0.540 0.000 2.681 89 I HA -0.128 4.047 4.170 0.007 0.000 0.247 89 I C 2.057 178.082 176.117 -0.154 0.000 1.091 89 I CA 0.039 61.140 61.300 -0.332 0.000 1.442 89 I CB -0.034 37.733 38.000 -0.390 0.000 1.219 89 I HN 0.058 nan 8.210 nan 0.000 0.451 90 L N 1.295 122.445 121.223 -0.121 0.000 2.042 90 L HA -0.167 4.177 4.340 0.007 0.000 0.210 90 L C 2.750 179.631 176.870 0.019 0.000 1.076 90 L CA 2.192 57.016 54.840 -0.027 0.000 0.749 90 L CB -1.655 40.394 42.059 -0.017 0.000 0.893 90 L HN 0.227 nan 8.230 nan 0.000 0.432 91 A N 0.032 122.860 122.820 0.013 0.000 1.858 91 A HA -0.121 4.204 4.320 0.007 0.000 0.216 91 A C 0.108 177.724 177.584 0.053 0.000 1.190 91 A CA 1.730 53.792 52.037 0.042 0.000 0.617 91 A CB -1.927 17.098 19.000 0.042 0.000 0.827 91 A HN 0.346 nan 8.150 nan 0.000 0.443 92 P HA -0.115 nan 4.420 nan 0.000 0.220 92 P C 1.626 178.989 177.300 0.104 0.000 1.148 92 P CA 1.086 64.222 63.100 0.060 0.000 0.803 92 P CB -0.184 31.538 31.700 0.037 0.000 0.782 93 M N -1.446 118.219 119.600 0.107 0.000 2.117 93 M HA -0.143 4.341 4.480 0.007 0.000 0.262 93 M C 1.989 178.428 176.300 0.232 0.000 1.065 93 M CA 1.806 57.262 55.300 0.260 0.000 1.114 93 M CB -0.931 31.808 32.600 0.231 0.000 1.361 93 M HN -0.032 nan 8.290 nan 0.000 0.408 94 L N -0.798 120.509 121.223 0.140 0.000 2.093 94 L HA -0.160 4.184 4.340 0.007 0.000 0.208 94 L C 2.371 179.285 176.870 0.074 0.000 1.085 94 L CA 0.689 55.591 54.840 0.104 0.000 0.755 94 L CB -0.604 41.511 42.059 0.093 0.000 0.904 94 L HN 0.114 nan 8.230 nan 0.000 0.435 95 V N 0.006 119.965 119.914 0.075 0.000 2.307 95 V HA -0.254 3.870 4.120 0.007 0.000 0.245 95 V C 2.760 178.885 176.094 0.051 0.000 1.045 95 V CA 1.753 64.083 62.300 0.050 0.000 1.024 95 V CB -0.900 30.956 31.823 0.055 0.000 0.651 95 V HN 0.462 nan 8.190 nan 0.000 0.449 96 A N 0.761 123.643 122.820 0.103 0.000 1.902 96 A HA -0.259 4.065 4.320 0.007 0.000 0.217 96 A C 2.265 179.861 177.584 0.021 0.000 1.181 96 A CA 2.055 54.159 52.037 0.111 0.000 0.623 96 A CB -0.417 18.740 19.000 0.260 0.000 0.818 96 A HN 0.786 nan 8.150 nan 0.000 0.443 97 E N -0.909 119.295 120.200 0.007 0.000 2.276 97 E HA -0.110 4.244 4.350 0.007 0.000 0.193 97 E C 1.804 178.372 176.600 -0.054 0.000 0.983 97 E CA 1.052 57.414 56.400 -0.063 0.000 0.861 97 E CB -0.166 29.484 29.700 -0.083 0.000 0.817 97 E HN 0.676 nan 8.360 nan 0.000 0.485 98 Q N 0.032 119.816 119.800 -0.026 0.000 2.288 98 Q HA 0.247 4.591 4.340 0.007 0.000 0.256 98 Q C 1.355 177.306 176.000 -0.082 0.000 0.835 98 Q CA 1.000 56.781 55.803 -0.036 0.000 0.958 98 Q CB 0.726 29.485 28.738 0.036 0.000 1.125 98 Q HN 0.258 nan 8.270 nan 0.000 0.513 99 G N 1.433 110.189 108.800 -0.072 0.000 2.141 99 G HA2 -0.340 3.625 3.960 0.007 0.000 0.242 99 G HA3 -0.340 3.625 3.960 0.007 0.000 0.242 99 G C -0.271 174.576 174.900 -0.087 0.000 0.982 99 G CA 0.247 45.281 45.100 -0.110 0.000 0.662 99 G HN 0.638 nan 8.290 nan 0.000 0.527 100 K N 0.525 120.890 120.400 -0.058 0.000 2.276 100 K HA 0.614 4.939 4.320 0.007 0.000 0.259 100 K C 0.938 177.536 176.600 -0.002 0.000 1.001 100 K CA -0.863 55.401 56.287 -0.039 0.000 0.927 100 K CB 1.010 33.477 32.500 -0.055 0.000 0.969 100 K HN 0.211 nan 8.250 nan 0.000 0.490 101 L N 2.341 123.574 121.223 0.017 0.000 2.554 101 L HA -0.131 4.213 4.340 0.007 0.000 0.293 101 L C 1.663 178.552 176.870 0.032 0.000 1.252 101 L CA -0.336 54.521 54.840 0.028 0.000 0.862 101 L CB -0.161 41.919 42.059 0.035 0.000 1.113 101 L HN 0.713 nan 8.230 nan 0.000 0.510 102 L N 2.578 123.820 121.223 0.031 0.000 2.079 102 L HA -0.219 4.126 4.340 0.007 0.000 0.210 102 L C 2.625 179.516 176.870 0.035 0.000 1.081 102 L CA 2.208 57.070 54.840 0.037 0.000 0.752 102 L CB -0.440 41.641 42.059 0.036 0.000 0.896 102 L HN 0.920 nan 8.230 nan 0.000 0.433 103 S N -1.777 113.938 115.700 0.025 0.000 2.368 103 S HA -0.157 4.317 4.470 0.007 0.000 0.225 103 S C 1.905 176.521 174.600 0.027 0.000 1.030 103 S CA 1.375 59.585 58.200 0.016 0.000 0.999 103 S CB -1.242 61.955 63.200 -0.005 0.000 0.844 103 S HN 0.260 nan 8.310 nan 0.000 0.459 104 V N 2.624 122.563 119.914 0.041 0.000 2.427 104 V HA -0.067 4.058 4.120 0.007 0.000 0.248 104 V C 3.135 179.295 176.094 0.109 0.000 1.051 104 V CA 1.547 63.896 62.300 0.082 0.000 1.048 104 V CB -1.539 30.342 31.823 0.098 0.000 0.666 104 V HN 0.677 nan 8.190 nan 0.000 0.456 105 A N -0.337 122.533 122.820 0.083 0.000 1.930 105 A HA -0.214 4.110 4.320 0.007 0.000 0.217 105 A C 2.183 179.815 177.584 0.081 0.000 1.175 105 A CA 1.702 53.794 52.037 0.091 0.000 0.627 105 A CB -0.399 18.643 19.000 0.070 0.000 0.815 105 A HN 0.611 nan 8.150 nan 0.000 0.443 106 E N -0.555 119.681 120.200 0.059 0.000 2.051 106 E HA -0.178 4.177 4.350 0.007 0.000 0.192 106 E C 2.117 178.744 176.600 0.044 0.000 0.991 106 E CA 1.424 57.852 56.400 0.046 0.000 0.799 106 E CB -0.270 29.450 29.700 0.034 0.000 0.748 106 E HN 0.609 nan 8.360 nan 0.000 0.449 107 M N 0.441 120.068 119.600 0.045 0.000 2.108 107 M HA -0.212 4.272 4.480 0.007 0.000 0.261 107 M C 2.455 178.790 176.300 0.058 0.000 1.066 107 M CA 1.427 56.748 55.300 0.036 0.000 1.107 107 M CB -0.429 32.188 32.600 0.028 0.000 1.356 107 M HN 0.131 nan 8.290 nan 0.000 0.406 108 E N 0.457 120.726 120.200 0.115 0.000 2.085 108 E HA -0.182 4.172 4.350 0.007 0.000 0.194 108 E C 1.820 178.488 176.600 0.113 0.000 0.994 108 E CA 1.551 58.046 56.400 0.157 0.000 0.801 108 E CB 0.065 29.927 29.700 0.270 0.000 0.743 108 E HN 0.274 nan 8.360 nan 0.000 0.453 109 V N 1.680 121.642 119.914 0.081 0.000 2.287 109 V HA -0.270 3.855 4.120 0.007 0.000 0.248 109 V C 1.916 178.028 176.094 0.029 0.000 1.053 109 V CA 2.240 64.567 62.300 0.045 0.000 1.027 109 V CB -0.565 31.275 31.823 0.029 0.000 0.646 109 V HN 0.323 nan 8.190 nan 0.000 0.447 110 D N -0.292 120.124 120.400 0.027 0.000 2.144 110 D HA -0.117 4.527 4.640 0.007 0.000 0.199 110 D C 2.094 178.406 176.300 0.019 0.000 0.984 110 D CA 1.148 55.155 54.000 0.012 0.000 0.834 110 D CB -0.203 40.596 40.800 -0.001 0.000 0.955 110 D HN 0.314 nan 8.370 nan 0.000 0.465 111 V N 0.659 120.592 119.914 0.032 0.000 2.488 111 V HA -0.159 3.966 4.120 0.007 0.000 0.246 111 V C 2.360 178.547 176.094 0.156 0.000 1.046 111 V CA 1.564 63.886 62.300 0.037 0.000 1.053 111 V CB -0.549 31.267 31.823 -0.012 0.000 0.679 111 V HN 0.210 nan 8.190 nan 0.000 0.458 112 T N 0.803 115.455 114.554 0.164 0.000 2.665 112 T HA -0.258 4.096 4.350 0.007 0.000 0.268 112 T C 2.049 176.802 174.700 0.089 0.000 1.035 112 T CA 1.887 64.079 62.100 0.153 0.000 1.151 112 T CB -0.429 68.471 68.868 0.053 0.000 0.862 112 T HN 0.577 nan 8.240 nan 0.000 0.438 113 A N 1.783 124.620 122.820 0.028 0.000 1.855 113 A HA -0.107 4.217 4.320 0.007 0.000 0.215 113 A C 2.673 180.286 177.584 0.050 0.000 1.191 113 A CA 2.248 54.281 52.037 -0.006 0.000 0.613 113 A CB -1.292 17.694 19.000 -0.023 0.000 0.829 113 A HN 0.633 nan 8.150 nan 0.000 0.442 114 T N -3.427 111.174 114.554 0.078 0.000 2.915 114 T HA -0.063 4.291 4.350 0.007 0.000 0.269 114 T C 1.700 176.473 174.700 0.122 0.000 1.071 114 T CA 1.220 63.400 62.100 0.134 0.000 1.132 114 T CB -0.631 68.317 68.868 0.134 0.000 0.878 114 T HN 0.307 nan 8.240 nan 0.000 0.479 115 F N 1.251 121.147 119.950 -0.090 0.000 2.126 115 F HA 0.059 4.591 4.527 0.007 0.000 0.299 115 F C 2.291 178.026 175.800 -0.110 0.000 1.096 115 F CA 0.988 58.745 58.000 -0.404 0.000 1.255 115 F CB -0.249 38.556 39.000 -0.326 0.000 0.997 115 F HN 0.125 nan 8.300 nan 0.000 0.479 116 I N 0.284 120.949 120.570 0.159 0.000 2.252 116 I HA -0.272 3.903 4.170 0.007 0.000 0.245 116 I C 2.095 178.283 176.117 0.118 0.000 1.102 116 I CA 1.640 63.011 61.300 0.118 0.000 1.385 116 I CB -0.612 37.429 38.000 0.069 0.000 1.064 116 I HN 0.192 nan 8.210 nan 0.000 0.414 117 D N 0.098 120.567 120.400 0.115 0.000 2.224 117 D HA -0.281 4.364 4.640 0.007 0.000 0.205 117 D C 2.106 178.478 176.300 0.120 0.000 0.965 117 D CA 1.012 55.072 54.000 0.101 0.000 0.852 117 D CB -0.719 40.128 40.800 0.078 0.000 0.947 117 D HN 0.466 nan 8.370 nan 0.000 0.494 118 Y N 1.509 121.853 120.300 0.073 0.000 2.145 118 Y HA -0.049 4.505 4.550 0.008 0.000 0.286 118 Y C 2.550 178.484 175.900 0.058 0.000 1.145 118 Y CA 2.252 60.401 58.100 0.081 0.000 1.148 118 Y CB -0.595 37.941 38.460 0.128 0.000 0.981 118 Y HN 0.028 nan 8.280 nan 0.000 0.507 119 G N -0.432 108.443 108.800 0.125 0.000 2.476 119 G HA2 -0.346 3.619 3.960 0.007 0.000 0.218 119 G HA3 -0.346 3.619 3.960 0.007 0.000 0.218 119 G C 1.745 176.608 174.900 -0.061 0.000 1.164 119 G CA 1.343 46.453 45.100 0.017 0.000 0.768 119 G HN 0.558 nan 8.290 nan 0.000 0.560 120 C N 0.651 119.945 119.300 -0.011 0.000 2.411 120 C HA -0.041 4.424 4.460 0.007 0.000 0.279 120 C C 2.480 177.427 174.990 -0.070 0.000 1.288 120 C CA 0.893 59.901 59.018 -0.017 0.000 1.764 120 C CB -0.704 27.051 27.740 0.026 0.000 1.974 120 C HN 0.453 nan 8.230 nan 0.000 0.498 121 D N 0.442 120.765 120.400 -0.128 0.000 2.310 121 D HA -0.066 4.579 4.640 0.007 0.000 0.212 121 D C 1.716 177.906 176.300 -0.184 0.000 0.965 121 D CA 0.883 54.790 54.000 -0.156 0.000 0.879 121 D CB -0.542 40.136 40.800 -0.203 0.000 0.921 121 D HN 0.582 nan 8.370 nan 0.000 0.510 122 N N -0.005 118.566 118.700 -0.216 0.000 2.336 122 N HA 0.088 4.832 4.740 0.007 0.000 0.189 122 N C 1.527 176.972 175.510 -0.108 0.000 1.113 122 N CA 0.148 53.090 53.050 -0.180 0.000 0.858 122 N CB 0.621 38.982 38.487 -0.211 0.000 0.970 122 N HN 0.047 nan 8.380 nan 0.000 0.471 123 A N 1.167 123.932 122.820 -0.090 0.000 1.908 123 A HA -0.086 4.238 4.320 0.007 0.000 0.218 123 A C 1.898 179.443 177.584 -0.065 0.000 1.181 123 A CA 1.141 53.136 52.037 -0.071 0.000 0.627 123 A CB -0.412 18.551 19.000 -0.063 0.000 0.818 123 A HN 0.237 nan 8.150 nan 0.000 0.445 124 L N -0.512 120.674 121.223 -0.062 0.000 2.667 124 L HA 0.106 4.450 4.340 0.007 0.000 0.232 124 L C 1.806 178.646 176.870 -0.051 0.000 1.138 124 L CA 0.857 55.666 54.840 -0.052 0.000 0.921 124 L CB 0.042 42.074 42.059 -0.045 0.000 1.180 124 L HN 0.554 nan 8.230 nan 0.000 0.487 125 T N -4.154 110.364 114.554 -0.060 0.000 2.959 125 T HA 0.299 4.653 4.350 0.007 0.000 0.254 125 T C 0.705 175.370 174.700 -0.058 0.000 1.003 125 T CA -0.220 61.844 62.100 -0.060 0.000 0.950 125 T CB 0.036 68.862 68.868 -0.070 0.000 1.090 125 T HN -0.015 nan 8.240 nan 0.000 0.503 126 I N 2.346 122.881 120.570 -0.057 0.000 2.752 126 I HA 0.161 4.336 4.170 0.007 0.000 0.289 126 I C 0.336 176.432 176.117 -0.034 0.000 1.197 126 I CA 0.602 61.875 61.300 -0.045 0.000 1.432 126 I CB 0.340 38.321 38.000 -0.032 0.000 1.359 126 I HN 0.294 nan 8.210 nan 0.000 0.571 127 E N 3.610 123.790 120.200 -0.034 0.000 2.272 127 E HA 0.522 4.876 4.350 0.007 0.000 0.269 127 E C -0.120 176.462 176.600 -0.031 0.000 0.877 127 E CA -0.637 55.744 56.400 -0.032 0.000 0.755 127 E CB 2.006 31.683 29.700 -0.040 0.000 1.192 127 E HN 0.703 nan 8.360 nan 0.000 0.422 128 G N 1.657 110.436 108.800 -0.034 0.000 2.532 128 G HA2 0.344 4.308 3.960 0.007 0.000 0.291 128 G HA3 0.344 4.308 3.960 0.007 0.000 0.291 128 G C -0.764 174.091 174.900 -0.075 0.000 1.349 128 G CA -0.330 44.735 45.100 -0.058 0.000 1.038 128 G HN 0.463 nan 8.290 nan 0.000 0.518 129 D N -0.502 119.836 120.400 -0.103 0.000 2.646 129 D HA 0.425 5.070 4.640 0.007 0.000 0.245 129 D C -0.552 175.656 176.300 -0.153 0.000 1.099 129 D CA -0.066 53.870 54.000 -0.106 0.000 0.849 129 D CB 2.394 43.138 40.800 -0.093 0.000 1.448 129 D HN 0.200 nan 8.370 nan 0.000 0.489 130 I N 1.936 122.406 120.570 -0.167 0.000 2.362 130 I HA 0.362 4.536 4.170 0.007 0.000 0.289 130 I C -0.339 175.623 176.117 -0.259 0.000 0.994 130 I CA -0.590 60.535 61.300 -0.292 0.000 1.158 130 I CB 1.218 39.069 38.000 -0.247 0.000 1.315 130 I HN 0.053 nan 8.210 nan 0.000 0.451 131 L N 7.594 128.627 121.223 -0.316 0.000 2.319 131 L HA 0.643 4.988 4.340 0.007 0.000 0.267 131 L C -2.240 174.504 176.870 -0.210 0.000 1.011 131 L CA -1.706 53.001 54.840 -0.221 0.000 0.818 131 L CB 2.086 44.026 42.059 -0.199 0.000 1.316 131 L HN 0.371 nan 8.230 nan 0.000 0.432 132 P HA 0.123 nan 4.420 nan 0.000 0.274 132 P C -1.018 176.231 177.300 -0.084 0.000 1.231 132 P CA -0.333 62.706 63.100 -0.102 0.000 0.790 132 P CB 1.646 33.307 31.700 -0.065 0.000 0.951 133 S N 0.081 115.748 115.700 -0.054 0.000 2.638 133 S HA 0.276 4.750 4.470 0.007 0.000 0.298 133 S C 0.488 175.095 174.600 0.012 0.000 1.111 133 S CA -0.560 57.637 58.200 -0.005 0.000 1.027 133 S CB 0.519 63.731 63.200 0.020 0.000 1.064 133 S HN 0.229 nan 8.310 nan 0.000 0.525 134 D N 1.521 121.942 120.400 0.036 0.000 2.349 134 D HA 0.186 4.830 4.640 0.007 0.000 0.224 134 D C -0.383 175.933 176.300 0.027 0.000 1.029 134 D CA 0.554 54.570 54.000 0.027 0.000 0.879 134 D CB -0.051 40.768 40.800 0.031 0.000 0.906 134 D HN 0.335 nan 8.370 nan 0.000 0.528 135 N N 1.037 119.759 118.700 0.036 0.000 2.400 135 N HA 0.145 4.890 4.740 0.007 0.000 0.288 135 N C -0.102 175.422 175.510 0.024 0.000 1.024 135 N CA -0.376 52.693 53.050 0.032 0.000 0.894 135 N CB 1.438 39.952 38.487 0.045 0.000 1.173 135 N HN 0.024 nan 8.380 nan 0.000 0.487 136 Q N 0.320 120.130 119.800 0.018 0.000 2.386 136 Q HA -0.030 4.314 4.340 0.007 0.000 0.282 136 Q C -0.652 175.360 176.000 0.020 0.000 1.050 136 Q CA 0.807 56.618 55.803 0.014 0.000 0.918 136 Q CB 0.231 28.975 28.738 0.011 0.000 1.266 136 Q HN 0.542 nan 8.270 nan 0.000 0.423 137 D N 1.061 121.472 120.400 0.018 0.000 2.835 137 D HA -0.188 4.456 4.640 0.007 0.000 0.230 137 D C -1.096 175.226 176.300 0.037 0.000 1.130 137 D CA 1.477 55.492 54.000 0.024 0.000 0.738 137 D CB -0.464 40.351 40.800 0.024 0.000 1.090 137 D HN 0.525 nan 8.370 nan 0.000 0.433 138 E N -0.264 119.956 120.200 0.032 0.000 2.366 138 E HA 0.511 4.865 4.350 0.007 0.000 0.278 138 E C -1.073 175.529 176.600 0.004 0.000 0.923 138 E CA -0.844 55.584 56.400 0.047 0.000 0.761 138 E CB 1.353 31.095 29.700 0.070 0.000 1.231 138 E HN -0.023 nan 8.360 nan 0.000 0.443 139 K N 2.652 123.045 120.400 -0.011 0.000 2.385 139 K HA 0.570 4.894 4.320 0.007 0.000 0.248 139 K C -0.833 175.605 176.600 -0.271 0.000 0.955 139 K CA -0.735 55.441 56.287 -0.185 0.000 0.816 139 K CB 1.910 34.222 32.500 -0.314 0.000 1.250 139 K HN 0.377 nan 8.250 nan 0.000 0.434 140 I N 2.125 122.426 120.570 -0.448 0.000 2.441 140 I HA 0.346 4.521 4.170 0.007 0.000 0.295 140 I C -1.091 174.658 176.117 -0.613 0.000 0.994 140 I CA -0.851 60.152 61.300 -0.494 0.000 1.144 140 I CB 0.881 38.561 38.000 -0.532 0.000 1.314 140 I HN 0.431 nan 8.210 nan 0.000 0.445 141 Y N 5.766 125.936 120.300 -0.218 0.000 2.429 141 Y HA 0.630 5.184 4.550 0.007 0.000 0.342 141 Y C -0.120 175.646 175.900 -0.224 0.000 1.004 141 Y CA -0.802 57.159 58.100 -0.232 0.000 1.075 141 Y CB 1.817 40.155 38.460 -0.203 0.000 1.214 141 Y HN 0.285 nan 8.280 nan 0.000 0.455 142 I N 4.128 124.621 120.570 -0.128 0.000 2.448 142 I HA 0.241 4.415 4.170 0.007 0.000 0.281 142 I C -0.744 175.296 176.117 -0.128 0.000 1.027 142 I CA -0.575 60.682 61.300 -0.072 0.000 1.111 142 I CB 0.746 38.715 38.000 -0.052 0.000 1.236 142 I HN 0.614 nan 8.210 nan 0.000 0.452 143 H N 5.964 125.062 119.070 0.046 0.000 2.487 143 H HA 0.384 4.944 4.556 0.007 0.000 0.333 143 H C -0.476 174.866 175.328 0.022 0.000 1.114 143 H CA -0.744 55.321 56.048 0.029 0.000 1.310 143 H CB 1.646 31.416 29.762 0.015 0.000 1.462 143 H HN 0.327 nan 8.280 nan 0.000 0.516 144 K N 2.827 123.300 120.400 0.122 0.000 2.211 144 K HA 0.350 4.674 4.320 0.007 0.000 0.275 144 K C 0.142 176.791 176.600 0.082 0.000 1.024 144 K CA -0.601 55.737 56.287 0.085 0.000 0.887 144 K CB 1.902 34.434 32.500 0.053 0.000 1.084 144 K HN 0.408 nan 8.250 nan 0.000 0.463 145 V N -0.479 119.478 119.914 0.072 0.000 3.126 145 V HA 0.612 4.736 4.120 0.007 0.000 0.314 145 V C -2.802 173.328 176.094 0.059 0.000 1.138 145 V CA -2.952 59.379 62.300 0.052 0.000 1.034 145 V CB 1.773 33.619 31.823 0.038 0.000 1.075 145 V HN 0.444 nan 8.190 nan 0.000 0.442 146 P HA 0.389 nan 4.420 nan 0.000 0.272 146 P C 0.313 177.661 177.300 0.080 0.000 1.223 146 P CA -0.242 62.907 63.100 0.082 0.000 0.784 146 P CB 0.588 32.339 31.700 0.085 0.000 0.923 147 R N 1.328 121.886 120.500 0.098 0.000 2.062 147 R HA 0.139 4.483 4.340 0.007 0.000 0.229 147 R C 1.343 177.683 176.300 0.068 0.000 1.128 147 R CA 1.441 57.588 56.100 0.079 0.000 0.960 147 R CB -0.638 29.713 30.300 0.085 0.000 0.855 147 R HN 0.786 nan 8.270 nan 0.000 0.432 148 G N -0.288 108.563 108.800 0.084 0.000 1.894 148 G HA2 -0.161 3.804 3.960 0.007 0.000 0.076 148 G HA3 -0.161 3.804 3.960 0.007 0.000 0.076 148 G C -1.073 173.869 174.900 0.071 0.000 0.954 148 G CA -0.464 44.677 45.100 0.069 0.000 1.214 148 G HN 0.022 nan 8.290 nan 0.000 0.409 149 V N 1.528 121.467 119.914 0.042 0.000 2.432 149 V HA 0.596 4.720 4.120 0.007 0.000 0.275 149 V C 0.264 176.386 176.094 0.046 0.000 1.043 149 V CA -0.487 61.833 62.300 0.032 0.000 0.925 149 V CB 1.222 33.047 31.823 0.004 0.000 0.985 149 V HN 0.643 nan 8.190 nan 0.000 0.466 150 V N 5.900 125.853 119.914 0.065 0.000 2.417 150 V HA 0.367 4.491 4.120 0.007 0.000 0.291 150 V C -0.008 176.127 176.094 0.068 0.000 1.024 150 V CA -0.606 61.748 62.300 0.091 0.000 0.861 150 V CB 1.960 33.888 31.823 0.175 0.000 0.985 150 V HN 0.606 nan 8.190 nan 0.000 0.436 151 V N 4.361 124.309 119.914 0.057 0.000 2.406 151 V HA 0.605 4.729 4.120 0.007 0.000 0.272 151 V C 0.826 176.959 176.094 0.065 0.000 1.043 151 V CA -0.043 62.285 62.300 0.048 0.000 0.915 151 V CB 1.430 33.272 31.823 0.032 0.000 0.988 151 V HN 0.968 nan 8.190 nan 0.000 0.466 152 G N 5.373 114.212 108.800 0.065 0.000 2.368 152 G HA2 0.714 4.678 3.960 0.007 0.000 0.320 152 G HA3 0.714 4.678 3.960 0.007 0.000 0.320 152 G C -0.942 173.991 174.900 0.056 0.000 1.158 152 G CA -0.440 44.703 45.100 0.072 0.000 0.912 152 G HN 0.620 nan 8.290 nan 0.000 0.456 153 I N 2.361 122.963 120.570 0.053 0.000 2.410 153 I HA 0.336 4.511 4.170 0.007 0.000 0.286 153 I C 0.351 176.493 176.117 0.043 0.000 1.009 153 I CA -0.588 60.741 61.300 0.048 0.000 1.111 153 I CB 2.341 40.367 38.000 0.043 0.000 1.262 153 I HN 0.558 nan 8.210 nan 0.000 0.443 154 T N 2.615 117.197 114.554 0.046 0.000 2.945 154 T HA 0.854 5.209 4.350 0.007 0.000 0.286 154 T C 0.054 174.773 174.700 0.032 0.000 1.025 154 T CA -0.805 61.319 62.100 0.041 0.000 1.039 154 T CB 2.021 70.923 68.868 0.056 0.000 1.068 154 T HN 0.538 nan 8.240 nan 0.000 0.497 155 A N 1.393 124.212 122.820 -0.003 0.000 2.246 155 A HA 0.552 4.876 4.320 0.007 0.000 0.291 155 A C 1.126 178.703 177.584 -0.012 0.000 1.103 155 A CA -0.978 51.001 52.037 -0.098 0.000 0.844 155 A CB 0.222 19.086 19.000 -0.227 0.000 1.136 155 A HN 1.119 nan 8.150 nan 0.000 0.500 156 W N 0.488 121.833 121.300 0.075 0.000 2.770 156 W HA -0.039 4.626 4.660 0.007 0.000 0.256 156 W C 1.039 177.579 176.519 0.034 0.000 1.291 156 W CA 0.702 58.077 57.345 0.051 0.000 1.396 156 W CB -0.557 28.920 29.460 0.029 0.000 1.114 156 W HN 0.842 nan 8.180 nan 0.000 0.637 157 N N 1.669 120.360 118.700 -0.014 0.000 2.270 157 N HA -0.157 4.587 4.740 0.007 0.000 0.181 157 N C -0.184 175.130 175.510 -0.326 0.000 1.016 157 N CA 0.722 53.738 53.050 -0.056 0.000 0.870 157 N CB -1.054 37.289 38.487 -0.240 0.000 0.979 157 N HN 0.128 nan 8.380 nan 0.000 0.431 158 F N -0.207 119.793 119.950 0.083 0.000 2.794 158 F HA 0.423 4.954 4.527 0.007 0.000 0.353 158 F C -1.875 173.972 175.800 0.078 0.000 1.371 158 F CA -1.894 56.157 58.000 0.086 0.000 1.173 158 F CB 2.218 41.263 39.000 0.075 0.000 1.693 158 F HN -0.156 nan 8.300 nan 0.000 0.606 159 P HA -0.171 nan 4.420 nan 0.000 0.216 159 P C 1.793 179.179 177.300 0.144 0.000 1.150 159 P CA 1.075 64.272 63.100 0.161 0.000 0.837 159 P CB 0.615 32.402 31.700 0.145 0.000 0.786 160 L N -0.836 120.482 121.223 0.158 0.000 2.084 160 L HA 0.101 4.445 4.340 0.007 0.000 0.202 160 L C 2.410 179.351 176.870 0.119 0.000 1.074 160 L CA 1.586 56.500 54.840 0.124 0.000 0.757 160 L CB -1.581 40.547 42.059 0.115 0.000 0.918 160 L HN -0.158 nan 8.230 nan 0.000 0.444 161 A N -0.181 122.744 122.820 0.174 0.000 1.869 161 A HA -0.273 4.051 4.320 0.007 0.000 0.218 161 A C 2.231 179.833 177.584 0.030 0.000 1.203 161 A CA 2.465 54.613 52.037 0.185 0.000 0.638 161 A CB -1.239 17.882 19.000 0.202 0.000 0.831 161 A HN 0.449 nan 8.150 nan 0.000 0.450 162 L N -0.975 120.260 121.223 0.021 0.000 2.191 162 L HA -0.198 4.146 4.340 0.007 0.000 0.212 162 L C 3.007 179.832 176.870 -0.075 0.000 1.103 162 L CA 0.853 55.646 54.840 -0.078 0.000 0.769 162 L CB -0.549 41.523 42.059 0.020 0.000 0.908 162 L HN 0.487 nan 8.230 nan 0.000 0.438 163 A N 0.322 123.141 122.820 -0.002 0.000 1.898 163 A HA -0.078 4.246 4.320 0.007 0.000 0.216 163 A C 2.428 179.999 177.584 -0.021 0.000 1.181 163 A CA 1.624 53.669 52.037 0.014 0.000 0.620 163 A CB -1.109 17.926 19.000 0.059 0.000 0.819 163 A HN 0.411 nan 8.150 nan 0.000 0.442 164 G N -0.872 107.908 108.800 -0.034 0.000 2.403 164 G HA2 -0.201 3.764 3.960 0.007 0.000 0.216 164 G HA3 -0.201 3.764 3.960 0.007 0.000 0.216 164 G C 1.674 176.474 174.900 -0.167 0.000 1.154 164 G CA 0.880 45.966 45.100 -0.023 0.000 0.784 164 G HN 0.530 nan 8.290 nan 0.000 0.538 165 R N 0.401 120.547 120.500 -0.590 0.000 2.133 165 R HA -0.127 4.217 4.340 0.007 0.000 0.247 165 R C 2.319 178.400 176.300 -0.366 0.000 1.151 165 R CA 1.878 57.366 56.100 -1.020 0.000 0.971 165 R CB -0.091 29.464 30.300 -1.240 0.000 0.866 165 R HN 0.327 nan 8.270 nan 0.000 0.447 166 K N -0.703 119.582 120.400 -0.191 0.000 2.202 166 K HA 0.079 4.403 4.320 0.007 0.000 0.201 166 K C 1.997 178.546 176.600 -0.084 0.000 1.051 166 K CA 0.335 56.593 56.287 -0.048 0.000 0.977 166 K CB 0.166 32.690 32.500 0.039 0.000 0.792 166 K HN 0.050 nan 8.250 nan 0.000 0.469 167 I N 1.647 122.193 120.570 -0.038 0.000 2.127 167 I HA -0.206 3.969 4.170 0.007 0.000 0.241 167 I C 2.426 178.537 176.117 -0.010 0.000 1.075 167 I CA 1.875 63.183 61.300 0.014 0.000 1.334 167 I CB -1.827 36.247 38.000 0.125 0.000 1.040 167 I HN 0.255 nan 8.210 nan 0.000 0.405 168 G N 2.823 111.620 108.800 -0.006 0.000 2.679 168 G HA2 -0.231 3.733 3.960 0.007 0.000 0.217 168 G HA3 -0.231 3.733 3.960 0.007 0.000 0.217 168 G C -0.416 174.450 174.900 -0.056 0.000 1.267 168 G CA 1.287 46.402 45.100 0.024 0.000 0.799 168 G HN 0.336 nan 8.290 nan 0.000 0.606 169 P HA -0.018 nan 4.420 nan 0.000 0.218 169 P C 1.945 178.905 177.300 -0.567 0.000 1.149 169 P CA 2.049 64.935 63.100 -0.356 0.000 0.817 169 P CB -0.181 31.243 31.700 -0.460 0.000 0.785 170 A N 0.087 122.499 122.820 -0.680 0.000 1.898 170 A HA -0.073 4.251 4.320 0.007 0.000 0.216 170 A C 2.402 179.989 177.584 0.005 0.000 1.181 170 A CA 1.167 53.001 52.037 -0.338 0.000 0.620 170 A CB -1.376 17.558 19.000 -0.110 0.000 0.819 170 A HN 0.099 nan 8.150 nan 0.000 0.442 171 L N -1.227 120.032 121.223 0.059 0.000 2.131 171 L HA -0.039 4.305 4.340 0.007 0.000 0.206 171 L C 2.444 179.554 176.870 0.400 0.000 1.087 171 L CA 0.729 55.748 54.840 0.299 0.000 0.767 171 L CB -0.515 41.671 42.059 0.212 0.000 0.917 171 L HN 0.352 nan 8.230 nan 0.000 0.441 172 I N 0.818 121.492 120.570 0.174 0.000 2.335 172 I HA -0.256 3.919 4.170 0.007 0.000 0.251 172 I C 2.303 178.429 176.117 0.016 0.000 1.129 172 I CA 1.815 63.161 61.300 0.077 0.000 1.402 172 I CB -0.231 37.784 38.000 0.025 0.000 1.069 172 I HN 0.288 nan 8.210 nan 0.000 0.424 173 T N -2.416 112.166 114.554 0.047 0.000 3.219 173 T HA 0.394 4.749 4.350 0.007 0.000 0.249 173 T C 1.409 176.143 174.700 0.057 0.000 1.099 173 T CA 0.224 62.349 62.100 0.042 0.000 0.988 173 T CB -0.428 68.489 68.868 0.081 0.000 0.999 173 T HN 0.587 nan 8.240 nan 0.000 0.550 174 G N 1.502 110.344 108.800 0.069 0.000 2.176 174 G HA2 -0.243 3.722 3.960 0.007 0.000 0.253 174 G HA3 -0.243 3.722 3.960 0.007 0.000 0.253 174 G C -0.050 175.040 174.900 0.316 0.000 0.979 174 G CA -0.322 44.797 45.100 0.031 0.000 0.641 174 G HN 0.604 nan 8.290 nan 0.000 0.530 175 N N 1.147 120.043 118.700 0.327 0.000 2.513 175 N HA 0.487 5.231 4.740 0.007 0.000 0.274 175 N C 0.645 176.305 175.510 0.249 0.000 1.189 175 N CA 0.828 54.039 53.050 0.268 0.000 0.975 175 N CB 1.147 39.752 38.487 0.197 0.000 1.157 175 N HN 0.566 nan 8.380 nan 0.000 0.465 176 T N -2.142 112.463 114.554 0.084 0.000 2.943 176 T HA 0.641 4.995 4.350 0.007 0.000 0.284 176 T C 0.014 174.683 174.700 -0.051 0.000 1.015 176 T CA -0.899 61.134 62.100 -0.112 0.000 1.042 176 T CB 1.550 70.329 68.868 -0.148 0.000 1.055 176 T HN 0.490 nan 8.240 nan 0.000 0.500 177 M N 2.087 121.631 119.600 -0.092 0.000 2.395 177 M HA 0.633 5.118 4.480 0.007 0.000 0.307 177 M C -2.030 174.250 176.300 -0.034 0.000 1.091 177 M CA -0.888 54.392 55.300 -0.033 0.000 0.919 177 M CB 1.987 34.575 32.600 -0.020 0.000 1.662 177 M HN 0.520 nan 8.290 nan 0.000 0.440 178 V N 5.514 125.425 119.914 -0.005 0.000 2.334 178 V HA 0.415 4.539 4.120 0.007 0.000 0.281 178 V C -0.818 175.290 176.094 0.023 0.000 1.016 178 V CA -0.747 61.555 62.300 0.003 0.000 0.832 178 V CB 1.081 32.905 31.823 0.001 0.000 0.999 178 V HN 0.761 nan 8.190 nan 0.000 0.439 179 L N 5.477 126.718 121.223 0.030 0.000 2.282 179 L HA 0.567 4.911 4.340 0.007 0.000 0.288 179 L C -0.178 176.723 176.870 0.052 0.000 1.033 179 L CA 0.067 54.933 54.840 0.044 0.000 0.807 179 L CB 1.092 43.179 42.059 0.048 0.000 1.209 179 L HN 0.601 nan 8.230 nan 0.000 0.423 180 K N 7.616 128.048 120.400 0.053 0.000 2.449 180 K HA 0.542 4.867 4.320 0.007 0.000 0.257 180 K C -2.709 173.930 176.600 0.065 0.000 0.989 180 K CA -1.816 54.506 56.287 0.057 0.000 0.916 180 K CB 1.575 34.105 32.500 0.050 0.000 1.136 180 K HN 0.413 nan 8.250 nan 0.000 0.439 181 P HA 0.067 nan 4.420 nan 0.000 0.277 181 P C -0.379 176.974 177.300 0.088 0.000 1.271 181 P CA -0.308 62.843 63.100 0.084 0.000 0.795 181 P CB 0.369 32.124 31.700 0.091 0.000 1.101 182 T N -2.479 112.142 114.554 0.112 0.000 2.900 182 T HA 0.032 4.387 4.350 0.007 0.000 0.307 182 T C 1.455 176.211 174.700 0.093 0.000 1.065 182 T CA -0.188 61.988 62.100 0.126 0.000 1.105 182 T CB 0.038 69.035 68.868 0.215 0.000 0.979 182 T HN 0.560 nan 8.240 nan 0.000 0.544 183 Q N 0.701 120.545 119.800 0.074 0.000 2.291 183 Q HA -0.175 4.170 4.340 0.007 0.000 0.206 183 Q C 1.912 177.925 176.000 0.021 0.000 0.976 183 Q CA 1.641 57.470 55.803 0.043 0.000 0.875 183 Q CB -0.243 28.515 28.738 0.033 0.000 0.927 183 Q HN 0.930 nan 8.270 nan 0.000 0.450 184 E N 1.577 121.797 120.200 0.033 0.000 2.072 184 E HA -0.094 4.261 4.350 0.007 0.000 0.190 184 E C 0.143 176.738 176.600 -0.008 0.000 0.982 184 E CA 1.575 57.966 56.400 -0.015 0.000 0.803 184 E CB 0.369 30.042 29.700 -0.046 0.000 0.755 184 E HN 0.461 nan 8.360 nan 0.000 0.453 185 T N -1.719 112.871 114.554 0.060 0.000 3.504 185 T HA 0.339 4.694 4.350 0.007 0.000 0.286 185 T C -2.352 172.391 174.700 0.073 0.000 1.530 185 T CA -1.354 60.783 62.100 0.061 0.000 1.652 185 T CB 1.485 70.430 68.868 0.128 0.000 0.895 185 T HN 0.007 nan 8.240 nan 0.000 0.674 186 P HA 0.327 nan 4.420 nan 0.000 0.272 186 P C 1.300 178.649 177.300 0.081 0.000 1.276 186 P CA -0.250 62.890 63.100 0.067 0.000 0.871 186 P CB 0.482 32.215 31.700 0.055 0.000 1.313 187 L N -0.139 121.121 121.223 0.061 0.000 2.068 187 L HA 0.042 4.386 4.340 0.007 0.000 0.204 187 L C 2.715 179.711 176.870 0.209 0.000 1.076 187 L CA 1.509 56.419 54.840 0.116 0.000 0.753 187 L CB -1.218 40.832 42.059 -0.015 0.000 0.910 187 L HN -0.104 nan 8.230 nan 0.000 0.439 188 A N -0.285 122.652 122.820 0.195 0.000 1.933 188 A HA -0.181 4.143 4.320 0.007 0.000 0.218 188 A C 2.333 179.993 177.584 0.127 0.000 1.175 188 A CA 2.258 54.394 52.037 0.165 0.000 0.628 188 A CB -0.889 18.198 19.000 0.144 0.000 0.814 188 A HN 0.396 nan 8.150 nan 0.000 0.444 189 T N -0.249 114.378 114.554 0.121 0.000 2.867 189 T HA -0.090 4.265 4.350 0.007 0.000 0.268 189 T C 1.875 176.644 174.700 0.115 0.000 1.057 189 T CA 1.822 63.987 62.100 0.109 0.000 1.136 189 T CB -0.423 68.507 68.868 0.103 0.000 0.874 189 T HN 0.552 nan 8.240 nan 0.000 0.466 190 T N 1.813 116.453 114.554 0.144 0.000 2.951 190 T HA -0.025 4.329 4.350 0.007 0.000 0.268 190 T C 1.862 176.693 174.700 0.218 0.000 1.073 190 T CA 0.616 62.833 62.100 0.195 0.000 1.134 190 T CB -0.110 68.896 68.868 0.231 0.000 0.884 190 T HN 0.255 nan 8.240 nan 0.000 0.479 191 E N 1.291 121.589 120.200 0.163 0.000 2.204 191 E HA -0.019 4.335 4.350 0.007 0.000 0.195 191 E C 2.158 178.804 176.600 0.077 0.000 0.990 191 E CA 0.558 57.034 56.400 0.127 0.000 0.821 191 E CB -0.341 29.408 29.700 0.081 0.000 0.750 191 E HN 0.507 nan 8.360 nan 0.000 0.477 192 L N -0.177 121.081 121.223 0.059 0.000 2.127 192 L HA -0.156 4.188 4.340 0.007 0.000 0.211 192 L C 2.450 179.242 176.870 -0.130 0.000 1.089 192 L CA 1.193 56.079 54.840 0.076 0.000 0.757 192 L CB -0.899 41.256 42.059 0.161 0.000 0.899 192 L HN 0.184 nan 8.230 nan 0.000 0.434 193 G N 0.292 108.822 108.800 -0.450 0.000 2.491 193 G HA2 -0.346 3.619 3.960 0.007 0.000 0.218 193 G HA3 -0.346 3.619 3.960 0.007 0.000 0.218 193 G C 1.719 175.862 174.900 -1.262 0.000 1.180 193 G CA 1.062 45.245 45.100 -1.528 0.000 0.774 193 G HN 0.340 nan 8.290 nan 0.000 0.562 194 R N 0.357 120.569 120.500 -0.480 0.000 2.081 194 R HA -0.020 4.324 4.340 0.007 0.000 0.235 194 R C 2.603 178.882 176.300 -0.034 0.000 1.131 194 R CA 1.514 57.580 56.100 -0.057 0.000 0.960 194 R CB -0.402 30.006 30.300 0.180 0.000 0.856 194 R HN 0.452 nan 8.270 nan 0.000 0.436 195 I N 1.128 121.702 120.570 0.007 0.000 2.226 195 I HA -0.227 3.947 4.170 0.007 0.000 0.245 195 I C 2.696 178.906 176.117 0.155 0.000 1.100 195 I CA 1.277 62.652 61.300 0.126 0.000 1.374 195 I CB -0.565 37.558 38.000 0.204 0.000 1.057 195 I HN 0.307 nan 8.210 nan 0.000 0.413 196 A N 0.699 123.501 122.820 -0.030 0.000 1.940 196 A HA -0.229 4.095 4.320 0.007 0.000 0.219 196 A C 2.404 179.869 177.584 -0.198 0.000 1.176 196 A CA 1.590 53.373 52.037 -0.424 0.000 0.631 196 A CB -0.453 18.125 19.000 -0.704 0.000 0.814 196 A HN 0.259 nan 8.150 nan 0.000 0.446 197 K N -0.351 119.986 120.400 -0.105 0.000 2.002 197 K HA -0.166 4.158 4.320 0.007 0.000 0.209 197 K C 1.947 178.565 176.600 0.029 0.000 1.048 197 K CA 1.843 58.138 56.287 0.013 0.000 0.930 197 K CB -0.265 32.292 32.500 0.094 0.000 0.714 197 K HN 0.692 nan 8.250 nan 0.000 0.438 198 E N 0.017 120.243 120.200 0.043 0.000 2.106 198 E HA -0.130 4.225 4.350 0.007 0.000 0.192 198 E C 1.750 178.390 176.600 0.066 0.000 0.984 198 E CA 0.906 57.342 56.400 0.059 0.000 0.806 198 E CB -0.046 29.695 29.700 0.068 0.000 0.750 198 E HN 0.280 nan 8.360 nan 0.000 0.458 199 A N 0.381 123.251 122.820 0.083 0.000 2.168 199 A HA 0.131 4.455 4.320 0.007 0.000 0.215 199 A C 1.810 179.432 177.584 0.065 0.000 1.152 199 A CA 0.975 53.075 52.037 0.105 0.000 0.716 199 A CB -0.453 18.668 19.000 0.202 0.000 0.794 199 A HN 0.355 nan 8.150 nan 0.000 0.465 200 G N -1.957 106.862 108.800 0.031 0.000 2.136 200 G HA2 -0.166 3.798 3.960 0.007 0.000 0.242 200 G HA3 -0.166 3.798 3.960 0.007 0.000 0.242 200 G C -0.053 174.860 174.900 0.021 0.000 0.989 200 G CA 0.131 45.250 45.100 0.031 0.000 0.682 200 G HN 0.510 nan 8.290 nan 0.000 0.522 201 L N 1.835 123.030 121.223 -0.046 0.000 2.462 201 L HA 0.431 4.776 4.340 0.007 0.000 0.272 201 L C -1.125 175.683 176.870 -0.103 0.000 1.166 201 L CA -1.473 53.298 54.840 -0.114 0.000 0.880 201 L CB 0.203 42.060 42.059 -0.337 0.000 1.142 201 L HN 0.028 nan 8.230 nan 0.000 0.473 202 P HA 0.080 nan 4.420 nan 0.000 0.271 202 P C -1.069 176.172 177.300 -0.097 0.000 1.233 202 P CA -0.465 62.613 63.100 -0.037 0.000 0.789 202 P CB 0.379 32.103 31.700 0.040 0.000 0.951 203 D N 0.084 120.443 120.400 -0.068 0.000 2.458 203 D HA 0.292 4.937 4.640 0.007 0.000 0.243 203 D C 1.584 177.810 176.300 -0.123 0.000 1.146 203 D CA 1.574 55.515 54.000 -0.098 0.000 0.877 203 D CB -0.018 40.726 40.800 -0.094 0.000 1.176 203 D HN 0.670 nan 8.370 nan 0.000 0.461 204 G N 1.008 109.717 108.800 -0.151 0.000 2.225 204 G HA2 -0.339 3.625 3.960 0.007 0.000 0.254 204 G HA3 -0.339 3.625 3.960 0.007 0.000 0.254 204 G C 1.261 176.049 174.900 -0.186 0.000 0.988 204 G CA 0.261 45.272 45.100 -0.149 0.000 0.625 204 G HN 0.449 nan 8.290 nan 0.000 0.527 205 V N -0.053 119.695 119.914 -0.276 0.000 2.307 205 V HA 0.218 4.342 4.120 0.007 0.000 0.245 205 V C 1.237 177.081 176.094 -0.417 0.000 1.045 205 V CA 2.055 64.055 62.300 -0.501 0.000 1.024 205 V CB -0.083 31.208 31.823 -0.886 0.000 0.651 205 V HN 0.549 nan 8.190 nan 0.000 0.449 206 L N 1.447 122.488 121.223 -0.303 0.000 2.349 206 L HA 0.538 4.882 4.340 0.007 0.000 0.278 206 L C -0.800 176.048 176.870 -0.036 0.000 0.996 206 L CA -0.075 54.650 54.840 -0.192 0.000 0.825 206 L CB 1.433 43.338 42.059 -0.256 0.000 1.243 206 L HN 0.130 nan 8.230 nan 0.000 0.412 207 N N 4.138 122.827 118.700 -0.018 0.000 2.284 207 N HA 0.484 5.229 4.740 0.007 0.000 0.300 207 N C -1.514 174.032 175.510 0.061 0.000 1.047 207 N CA -0.444 52.629 53.050 0.038 0.000 0.821 207 N CB 3.021 41.492 38.487 -0.025 0.000 1.337 207 N HN 0.407 nan 8.380 nan 0.000 0.482 208 V N 3.617 123.600 119.914 0.115 0.000 2.444 208 V HA 0.563 4.687 4.120 0.007 0.000 0.294 208 V C -0.659 175.494 176.094 0.099 0.000 1.022 208 V CA -0.687 61.672 62.300 0.099 0.000 0.850 208 V CB 1.154 33.037 31.823 0.101 0.000 0.992 208 V HN 0.635 nan 8.190 nan 0.000 0.426 209 I N 6.768 127.382 120.570 0.073 0.000 2.530 209 I HA 0.621 4.795 4.170 0.007 0.000 0.297 209 I C -0.589 175.568 176.117 0.066 0.000 1.011 209 I CA -0.484 60.854 61.300 0.063 0.000 1.107 209 I CB 1.873 39.896 38.000 0.039 0.000 1.285 209 I HN 0.615 nan 8.210 nan 0.000 0.436 210 N N 4.349 123.089 118.700 0.066 0.000 2.335 210 N HA 0.829 5.574 4.740 0.007 0.000 0.304 210 N C -0.250 175.289 175.510 0.048 0.000 1.135 210 N CA -0.092 52.995 53.050 0.062 0.000 0.817 210 N CB 2.074 40.604 38.487 0.072 0.000 1.294 210 N HN 0.981 nan 8.380 nan 0.000 0.497 211 G N -0.493 108.334 108.800 0.044 0.000 2.288 211 G HA2 -0.038 3.926 3.960 0.007 0.000 0.227 211 G HA3 -0.038 3.926 3.960 0.007 0.000 0.227 211 G C -0.999 173.923 174.900 0.036 0.000 1.339 211 G CA -0.350 44.772 45.100 0.036 0.000 1.057 211 G HN 0.638 nan 8.290 nan 0.000 0.470 212 T N -0.897 113.676 114.554 0.031 0.000 2.909 212 T HA 0.539 4.894 4.350 0.007 0.000 0.289 212 T C 1.713 176.434 174.700 0.035 0.000 1.005 212 T CA 0.884 63.003 62.100 0.032 0.000 1.084 212 T CB 1.387 70.270 68.868 0.026 0.000 0.975 212 T HN 1.846 nan 8.240 nan 0.000 0.509 213 G N 1.222 110.046 108.800 0.039 0.000 2.432 213 G HA2 -0.203 3.762 3.960 0.007 0.000 0.219 213 G HA3 -0.203 3.762 3.960 0.007 0.000 0.219 213 G C 1.736 176.656 174.900 0.033 0.000 1.135 213 G CA 0.861 45.985 45.100 0.039 0.000 0.767 213 G HN 0.944 nan 8.290 nan 0.000 0.550 214 S N -0.243 115.474 115.700 0.029 0.000 2.406 214 S HA 0.019 4.494 4.470 0.007 0.000 0.228 214 S C 2.084 176.698 174.600 0.024 0.000 1.020 214 S CA 1.301 59.516 58.200 0.025 0.000 0.965 214 S CB -0.064 63.149 63.200 0.022 0.000 0.798 214 S HN 0.133 nan 8.310 nan 0.000 0.488 215 V N 0.799 120.727 119.914 0.024 0.000 2.602 215 V HA 0.102 4.226 4.120 0.007 0.000 0.235 215 V C 2.530 178.638 176.094 0.023 0.000 1.087 215 V CA 0.797 63.110 62.300 0.022 0.000 1.117 215 V CB -0.582 31.253 31.823 0.020 0.000 0.820 215 V HN 0.373 nan 8.190 nan 0.000 0.490 216 V N 1.269 121.198 119.914 0.025 0.000 2.270 216 V HA -0.096 4.028 4.120 0.007 0.000 0.245 216 V C 2.696 178.806 176.094 0.028 0.000 1.043 216 V CA 2.311 64.626 62.300 0.026 0.000 1.014 216 V CB -1.521 30.320 31.823 0.029 0.000 0.645 216 V HN 0.598 nan 8.190 nan 0.000 0.447 217 G N -0.762 108.057 108.800 0.031 0.000 2.586 217 G HA2 -0.351 3.614 3.960 0.007 0.000 0.218 217 G HA3 -0.351 3.614 3.960 0.007 0.000 0.218 217 G C 1.496 176.414 174.900 0.030 0.000 1.216 217 G CA 1.041 46.160 45.100 0.033 0.000 0.786 217 G HN 0.409 nan 8.290 nan 0.000 0.583 218 Q N -0.098 119.719 119.800 0.030 0.000 2.173 218 Q HA -0.120 4.224 4.340 0.007 0.000 0.208 218 Q C 2.840 178.858 176.000 0.030 0.000 0.989 218 Q CA 1.915 57.736 55.803 0.030 0.000 0.872 218 Q CB -0.891 27.864 28.738 0.028 0.000 0.909 218 Q HN 0.503 nan 8.270 nan 0.000 0.420 219 T N 1.161 115.731 114.554 0.027 0.000 2.857 219 T HA -0.007 4.347 4.350 0.007 0.000 0.266 219 T C 2.043 176.755 174.700 0.020 0.000 1.048 219 T CA 0.505 62.619 62.100 0.024 0.000 1.139 219 T CB -0.082 68.797 68.868 0.019 0.000 0.874 219 T HN 0.170 nan 8.240 nan 0.000 0.455 220 L N 0.553 121.788 121.223 0.020 0.000 1.994 220 L HA -0.130 4.214 4.340 0.007 0.000 0.208 220 L C 2.857 179.738 176.870 0.018 0.000 1.071 220 L CA 1.152 56.001 54.840 0.016 0.000 0.745 220 L CB -0.673 41.398 42.059 0.020 0.000 0.892 220 L HN 0.378 nan 8.230 nan 0.000 0.431 221 C N -0.376 118.939 119.300 0.026 0.000 2.425 221 C HA -0.137 4.327 4.460 0.007 0.000 0.277 221 C C 2.551 177.570 174.990 0.049 0.000 1.280 221 C CA 0.457 59.493 59.018 0.031 0.000 1.744 221 C CB -0.856 26.902 27.740 0.030 0.000 1.989 221 C HN 0.496 nan 8.230 nan 0.000 0.491 222 E N 0.572 120.807 120.200 0.058 0.000 2.268 222 E HA -0.092 4.262 4.350 0.007 0.000 0.195 222 E C 1.057 177.728 176.600 0.118 0.000 0.995 222 E CA 0.261 56.721 56.400 0.100 0.000 0.836 222 E CB -0.003 29.747 29.700 0.083 0.000 0.763 222 E HN 0.448 nan 8.360 nan 0.000 0.491 223 S N 0.998 116.712 115.700 0.023 0.000 2.549 223 S HA 0.035 4.510 4.470 0.007 0.000 0.283 223 S C -1.552 172.891 174.600 -0.260 0.000 1.320 223 S CA -1.480 56.676 58.200 -0.075 0.000 1.058 223 S CB 0.809 63.971 63.200 -0.064 0.000 0.882 223 S HN -0.034 nan 8.310 nan 0.000 0.498 224 P HA -0.058 nan 4.420 nan 0.000 0.222 224 P C 1.294 178.364 177.300 -0.383 0.000 1.147 224 P CA 0.970 63.527 63.100 -0.904 0.000 0.790 224 P CB -0.008 31.108 31.700 -0.972 0.000 0.780 225 I N -0.424 120.009 120.570 -0.228 0.000 2.252 225 I HA -0.103 4.071 4.170 0.007 0.000 0.245 225 I C 0.768 176.833 176.117 -0.086 0.000 1.102 225 I CA 0.904 62.130 61.300 -0.124 0.000 1.385 225 I CB -1.304 36.645 38.000 -0.084 0.000 1.064 225 I HN -0.114 nan 8.210 nan 0.000 0.414 226 T N 2.999 117.504 114.554 -0.081 0.000 2.867 226 T HA 0.010 4.364 4.350 0.007 0.000 0.297 226 T C 1.001 175.682 174.700 -0.031 0.000 0.989 226 T CA 0.085 62.162 62.100 -0.039 0.000 1.159 226 T CB 0.686 69.539 68.868 -0.025 0.000 0.928 226 T HN 0.115 nan 8.240 nan 0.000 0.538 227 K N 2.317 122.715 120.400 -0.003 0.000 2.358 227 K HA 0.361 4.685 4.320 0.007 0.000 0.200 227 K C 0.175 176.787 176.600 0.019 0.000 1.030 227 K CA 0.126 56.419 56.287 0.009 0.000 1.097 227 K CB 0.457 32.969 32.500 0.020 0.000 0.862 227 K HN 0.651 nan 8.250 nan 0.000 0.534 228 M N 0.559 120.171 119.600 0.019 0.000 2.660 228 M HA 0.289 4.773 4.480 0.007 0.000 0.281 228 M C -2.026 174.282 176.300 0.013 0.000 1.131 228 M CA -0.507 54.798 55.300 0.008 0.000 0.858 228 M CB 1.536 34.143 32.600 0.011 0.000 1.732 228 M HN -0.245 nan 8.290 nan 0.000 0.516 229 I N 2.332 122.899 120.570 -0.004 0.000 2.447 229 I HA 0.368 4.542 4.170 0.007 0.000 0.287 229 I C -0.357 175.766 176.117 0.010 0.000 1.023 229 I CA -0.393 60.914 61.300 0.011 0.000 1.083 229 I CB 1.559 39.560 38.000 0.001 0.000 1.245 229 I HN 0.708 nan 8.210 nan 0.000 0.434 230 T N 7.803 122.383 114.554 0.044 0.000 2.779 230 T HA 0.660 5.015 4.350 0.007 0.000 0.280 230 T C -0.616 174.123 174.700 0.065 0.000 0.987 230 T CA -0.432 61.702 62.100 0.056 0.000 0.966 230 T CB 0.983 69.921 68.868 0.117 0.000 0.933 230 T HN 0.583 nan 8.240 nan 0.000 0.442 231 M N 4.200 123.836 119.600 0.060 0.000 2.433 231 M HA 0.474 4.959 4.480 0.007 0.000 0.290 231 M C -1.675 174.654 176.300 0.049 0.000 1.173 231 M CA -0.297 55.033 55.300 0.050 0.000 0.905 231 M CB 2.163 34.790 32.600 0.044 0.000 1.692 231 M HN 0.647 nan 8.290 nan 0.000 0.462 232 T N 2.758 117.330 114.554 0.030 0.000 2.824 232 T HA 0.896 5.250 4.350 0.007 0.000 0.282 232 T C -0.051 174.631 174.700 -0.030 0.000 0.993 232 T CA -0.280 61.828 62.100 0.014 0.000 0.967 232 T CB 1.801 70.679 68.868 0.017 0.000 0.960 232 T HN 0.983 nan 8.240 nan 0.000 0.441 233 G N 1.500 110.264 108.800 -0.060 0.000 2.393 233 G HA2 0.512 4.477 3.960 0.007 0.000 0.264 233 G HA3 0.512 4.477 3.960 0.007 0.000 0.264 233 G C -0.676 174.144 174.900 -0.133 0.000 1.221 233 G CA -0.327 44.703 45.100 -0.116 0.000 0.912 233 G HN 0.940 nan 8.290 nan 0.000 0.483 234 S N -0.566 115.069 115.700 -0.108 0.000 2.603 234 S HA 0.412 4.887 4.470 0.007 0.000 0.268 234 S C 1.811 176.403 174.600 -0.014 0.000 1.317 234 S CA 1.035 59.184 58.200 -0.084 0.000 1.012 234 S CB 1.206 64.376 63.200 -0.050 0.000 0.926 234 S HN 1.754 nan 8.310 nan 0.000 0.539 235 T N -0.064 114.503 114.554 0.022 0.000 2.737 235 T HA -0.157 4.197 4.350 0.007 0.000 0.269 235 T C 1.652 176.371 174.700 0.032 0.000 1.040 235 T CA 1.548 63.682 62.100 0.057 0.000 1.142 235 T CB -1.014 67.916 68.868 0.104 0.000 0.861 235 T HN 0.456 nan 8.240 nan 0.000 0.456 236 V N 2.236 122.164 119.914 0.024 0.000 2.323 236 V HA 0.011 4.136 4.120 0.007 0.000 0.244 236 V C 3.287 179.393 176.094 0.020 0.000 1.041 236 V CA 1.462 63.773 62.300 0.017 0.000 1.025 236 V CB -1.502 30.332 31.823 0.019 0.000 0.656 236 V HN 0.675 nan 8.190 nan 0.000 0.451 237 A N 0.764 123.597 122.820 0.022 0.000 1.902 237 A HA -0.071 4.254 4.320 0.007 0.000 0.217 237 A C 2.427 180.033 177.584 0.036 0.000 1.181 237 A CA 1.914 53.968 52.037 0.027 0.000 0.623 237 A CB -1.317 17.698 19.000 0.025 0.000 0.818 237 A HN 0.521 nan 8.150 nan 0.000 0.443 238 G N 0.047 108.871 108.800 0.039 0.000 2.529 238 G HA2 -0.314 3.651 3.960 0.007 0.000 0.219 238 G HA3 -0.314 3.651 3.960 0.007 0.000 0.219 238 G C 1.665 176.614 174.900 0.081 0.000 1.177 238 G CA 1.295 46.433 45.100 0.064 0.000 0.773 238 G HN 0.597 nan 8.290 nan 0.000 0.573 239 K N -0.189 120.238 120.400 0.046 0.000 2.147 239 K HA -0.089 4.236 4.320 0.007 0.000 0.205 239 K C 2.539 179.170 176.600 0.050 0.000 1.049 239 K CA 1.299 57.600 56.287 0.023 0.000 0.936 239 K CB -0.105 32.373 32.500 -0.036 0.000 0.722 239 K HN 0.310 nan 8.250 nan 0.000 0.446 240 Q N 1.507 121.331 119.800 0.041 0.000 2.046 240 Q HA -0.086 4.258 4.340 0.007 0.000 0.200 240 Q C 1.787 177.818 176.000 0.051 0.000 0.975 240 Q CA 1.463 57.289 55.803 0.039 0.000 0.836 240 Q CB -0.177 28.579 28.738 0.029 0.000 0.896 240 Q HN 0.296 nan 8.270 nan 0.000 0.428 241 I N -0.404 120.200 120.570 0.056 0.000 2.127 241 I HA -0.310 3.865 4.170 0.007 0.000 0.241 241 I C 1.960 178.106 176.117 0.047 0.000 1.075 241 I CA 1.488 62.815 61.300 0.045 0.000 1.334 241 I CB -0.462 37.562 38.000 0.039 0.000 1.040 241 I HN 0.272 nan 8.210 nan 0.000 0.405 242 Y N 1.835 122.100 120.300 -0.058 0.000 2.069 242 Y HA -0.367 4.187 4.550 0.007 0.000 0.278 242 Y C 2.543 178.391 175.900 -0.086 0.000 1.175 242 Y CA 1.929 59.965 58.100 -0.105 0.000 1.134 242 Y CB -0.338 38.029 38.460 -0.157 0.000 0.965 242 Y HN 0.016 nan 8.280 nan 0.000 0.498 243 K N -1.174 119.344 120.400 0.198 0.000 2.057 243 K HA -0.153 4.171 4.320 0.007 0.000 0.207 243 K C 1.933 178.563 176.600 0.049 0.000 1.049 243 K CA 1.977 58.330 56.287 0.109 0.000 0.931 243 K CB -0.395 32.136 32.500 0.053 0.000 0.714 243 K HN 0.290 nan 8.250 nan 0.000 0.440 244 T N 0.566 115.142 114.554 0.037 0.000 2.803 244 T HA -0.146 4.209 4.350 0.007 0.000 0.269 244 T C 1.903 176.611 174.700 0.014 0.000 1.052 244 T CA 1.637 63.751 62.100 0.024 0.000 1.136 244 T CB -0.289 68.597 68.868 0.031 0.000 0.864 244 T HN 0.357 nan 8.240 nan 0.000 0.467 245 S N 1.223 116.910 115.700 -0.021 0.000 2.555 245 S HA 0.266 4.740 4.470 0.007 0.000 0.230 245 S C 2.155 176.723 174.600 -0.053 0.000 0.978 245 S CA 0.436 58.605 58.200 -0.052 0.000 0.934 245 S CB -0.334 62.772 63.200 -0.158 0.000 0.766 245 S HN 0.490 nan 8.310 nan 0.000 0.533 246 A N 1.328 124.123 122.820 -0.042 0.000 2.066 246 A HA 0.082 4.406 4.320 0.007 0.000 0.218 246 A C 2.106 179.643 177.584 -0.078 0.000 1.157 246 A CA 1.284 53.294 52.037 -0.044 0.000 0.670 246 A CB -0.577 18.413 19.000 -0.017 0.000 0.804 246 A HN 0.522 nan 8.150 nan 0.000 0.453 247 E N -0.622 119.511 120.200 -0.113 0.000 2.047 247 E HA -0.144 4.211 4.350 0.007 0.000 0.191 247 E C 0.734 177.055 176.600 -0.464 0.000 0.987 247 E CA 1.525 57.745 56.400 -0.300 0.000 0.799 247 E CB -0.312 29.172 29.700 -0.361 0.000 0.752 247 E HN 0.702 nan 8.360 nan 0.000 0.449 248 Y N -0.946 119.344 120.300 -0.016 0.000 2.531 248 Y HA 0.371 4.925 4.550 0.007 0.000 0.249 248 Y C 0.159 176.047 175.900 -0.020 0.000 1.168 248 Y CA -0.054 58.038 58.100 -0.014 0.000 1.226 248 Y CB 0.007 38.461 38.460 -0.010 0.000 1.177 248 Y HN -0.106 nan 8.280 nan 0.000 0.527 249 M N 0.793 120.422 119.600 0.049 0.000 2.206 249 M HA -0.236 4.248 4.480 0.007 0.000 0.197 249 M C -0.530 175.777 176.300 0.012 0.000 0.375 249 M CA 0.702 56.007 55.300 0.008 0.000 0.410 249 M CB -1.524 31.080 32.600 0.006 0.000 1.204 249 M HN 0.118 nan 8.290 nan 0.000 0.932 250 T N 2.206 116.771 114.554 0.018 0.000 2.769 250 T HA 0.295 4.649 4.350 0.007 0.000 0.293 250 T C -1.828 172.838 174.700 -0.056 0.000 0.931 250 T CA -0.808 61.294 62.100 0.004 0.000 1.139 250 T CB 0.360 69.241 68.868 0.022 0.000 0.881 250 T HN 0.234 nan 8.240 nan 0.000 0.532 251 P HA 0.202 nan 4.420 nan 0.000 0.268 251 P C -0.561 176.699 177.300 -0.066 0.000 1.205 251 P CA -0.315 62.755 63.100 -0.049 0.000 0.771 251 P CB 0.462 32.155 31.700 -0.012 0.000 0.858 252 V N 0.589 120.455 119.914 -0.079 0.000 2.735 252 V HA 0.703 4.828 4.120 0.007 0.000 0.310 252 V C -0.418 175.717 176.094 0.068 0.000 1.061 252 V CA -1.059 61.210 62.300 -0.053 0.000 0.913 252 V CB 2.138 33.870 31.823 -0.152 0.000 1.005 252 V HN 0.566 nan 8.190 nan 0.000 0.428 253 M N 5.450 125.083 119.600 0.055 0.000 2.190 253 M HA 0.729 5.213 4.480 0.007 0.000 0.312 253 M C -2.318 174.052 176.300 0.117 0.000 0.990 253 M CA -0.547 54.815 55.300 0.104 0.000 0.927 253 M CB 1.568 34.175 32.600 0.012 0.000 1.571 253 M HN 0.807 nan 8.290 nan 0.000 0.427 254 L N 5.337 126.665 121.223 0.175 0.000 2.410 254 L HA 0.573 4.917 4.340 0.007 0.000 0.270 254 L C -0.893 176.059 176.870 0.137 0.000 0.983 254 L CA -0.740 54.189 54.840 0.149 0.000 0.822 254 L CB 2.217 44.386 42.059 0.184 0.000 1.285 254 L HN 0.634 nan 8.230 nan 0.000 0.409 255 E N 5.368 125.628 120.200 0.100 0.000 2.218 255 E HA 0.643 4.997 4.350 0.007 0.000 0.263 255 E C -0.960 175.677 176.600 0.062 0.000 0.879 255 E CA -0.524 55.927 56.400 0.086 0.000 0.762 255 E CB 2.559 32.332 29.700 0.122 0.000 1.166 255 E HN 0.462 nan 8.360 nan 0.000 0.415 256 L N 0.637 121.893 121.223 0.055 0.000 2.778 256 L HA 0.673 5.017 4.340 0.007 0.000 0.246 256 L C 1.114 177.975 176.870 -0.015 0.000 1.820 256 L CA -1.208 53.647 54.840 0.026 0.000 1.986 256 L CB -0.057 42.047 42.059 0.075 0.000 2.298 256 L HN 0.561 nan 8.230 nan 0.000 0.580 257 G N -1.408 107.369 108.800 -0.039 0.000 2.621 257 G HA2 0.526 4.490 3.960 0.007 0.000 0.271 257 G HA3 0.526 4.490 3.960 0.007 0.000 0.271 257 G C -0.567 174.147 174.900 -0.309 0.000 1.236 257 G CA 0.260 45.224 45.100 -0.227 0.000 0.958 257 G HN 0.777 nan 8.290 nan 0.000 0.512 258 G N -1.613 106.881 108.800 -0.510 0.000 2.682 258 G HA2 0.502 4.467 3.960 0.007 0.000 0.290 258 G HA3 0.502 4.467 3.960 0.007 0.000 0.290 258 G C -1.200 173.392 174.900 -0.514 0.000 1.425 258 G CA -0.642 44.190 45.100 -0.446 0.000 0.807 258 G HN 0.575 nan 8.290 nan 0.000 0.482 259 K N 0.200 120.481 120.400 -0.199 0.000 3.253 259 K HA 0.608 4.932 4.320 0.007 0.000 0.174 259 K C 0.245 176.868 176.600 0.039 0.000 1.071 259 K CA -0.249 56.007 56.287 -0.052 0.000 0.836 259 K CB 0.383 32.949 32.500 0.111 0.000 0.922 259 K HN 0.803 nan 8.250 nan 0.000 0.565 260 A N 2.742 125.588 122.820 0.043 0.000 2.524 260 A HA 0.335 4.659 4.320 0.007 0.000 0.250 260 A C -2.244 175.426 177.584 0.143 0.000 1.078 260 A CA -0.741 51.358 52.037 0.104 0.000 0.761 260 A CB -0.350 18.756 19.000 0.176 0.000 1.012 260 A HN 0.376 nan 8.150 nan 0.000 0.500 261 P HA 0.360 nan 4.420 nan 0.000 0.286 261 P C -0.594 176.881 177.300 0.292 0.000 1.261 261 P CA -0.430 62.812 63.100 0.235 0.000 0.821 261 P CB 1.188 33.089 31.700 0.335 0.000 1.013 262 M N 3.337 123.070 119.600 0.222 0.000 2.364 262 M HA 0.430 4.915 4.480 0.007 0.000 0.334 262 M C -0.944 175.469 176.300 0.188 0.000 1.107 262 M CA -1.021 54.407 55.300 0.212 0.000 0.988 262 M CB 1.757 34.400 32.600 0.072 0.000 1.673 262 M HN 0.193 nan 8.290 nan 0.000 0.441 263 V N 4.774 124.792 119.914 0.173 0.000 2.513 263 V HA 0.761 4.885 4.120 0.007 0.000 0.299 263 V C -1.495 174.642 176.094 0.070 0.000 1.035 263 V CA -0.436 61.942 62.300 0.129 0.000 0.889 263 V CB 1.863 33.745 31.823 0.098 0.000 0.988 263 V HN 0.684 nan 8.190 nan 0.000 0.440 264 V N 7.639 127.537 119.914 -0.027 0.000 2.378 264 V HA 0.500 4.624 4.120 0.007 0.000 0.288 264 V C 0.315 176.401 176.094 -0.014 0.000 1.016 264 V CA -0.468 61.781 62.300 -0.085 0.000 0.840 264 V CB 1.249 32.816 31.823 -0.428 0.000 0.994 264 V HN 0.923 nan 8.190 nan 0.000 0.431 265 M N 1.632 121.255 119.600 0.039 0.000 2.513 265 M HA 0.360 4.844 4.480 0.007 0.000 0.250 265 M C 1.321 177.609 176.300 -0.020 0.000 1.145 265 M CA -0.218 55.117 55.300 0.058 0.000 0.948 265 M CB 0.547 33.173 32.600 0.044 0.000 1.405 265 M HN 0.651 nan 8.290 nan 0.000 0.546 266 D N 0.994 121.285 120.400 -0.181 0.000 2.230 266 D HA -0.251 4.393 4.640 0.007 0.000 0.189 266 D C 0.505 176.739 176.300 -0.110 0.000 1.006 266 D CA 2.511 56.335 54.000 -0.293 0.000 0.853 266 D CB 0.062 40.678 40.800 -0.306 0.000 0.959 266 D HN 0.607 nan 8.370 nan 0.000 0.449 267 D N -0.689 119.680 120.400 -0.051 0.000 2.388 267 D HA 0.272 4.916 4.640 0.007 0.000 0.221 267 D C -0.179 176.139 176.300 0.031 0.000 1.133 267 D CA -0.182 53.814 54.000 -0.008 0.000 0.831 267 D CB -0.345 40.456 40.800 0.001 0.000 0.962 267 D HN 0.193 nan 8.370 nan 0.000 0.502 268 A N 0.691 123.535 122.820 0.040 0.000 2.462 268 A HA 0.163 4.487 4.320 0.007 0.000 0.243 268 A C 0.342 177.962 177.584 0.060 0.000 1.076 268 A CA -0.398 51.686 52.037 0.079 0.000 0.773 268 A CB 0.267 19.312 19.000 0.075 0.000 1.010 268 A HN 0.133 nan 8.150 nan 0.000 0.493 269 D N 2.265 122.708 120.400 0.072 0.000 2.346 269 D HA 0.134 4.779 4.640 0.007 0.000 0.267 269 D C 0.834 177.129 176.300 -0.008 0.000 1.320 269 D CA -0.025 53.999 54.000 0.040 0.000 0.951 269 D CB 0.299 41.137 40.800 0.064 0.000 1.079 269 D HN 0.380 nan 8.370 nan 0.000 0.509 270 L N 3.603 124.850 121.223 0.040 0.000 2.056 270 L HA -0.124 4.221 4.340 0.007 0.000 0.207 270 L C 2.132 179.029 176.870 0.044 0.000 1.078 270 L CA 0.999 55.905 54.840 0.109 0.000 0.749 270 L CB -0.304 41.836 42.059 0.135 0.000 0.901 270 L HN 0.332 nan 8.230 nan 0.000 0.433 271 D N 0.064 120.465 120.400 0.001 0.000 2.097 271 D HA -0.194 4.451 4.640 0.007 0.000 0.195 271 D C 2.186 178.477 176.300 -0.015 0.000 0.989 271 D CA 1.205 55.193 54.000 -0.019 0.000 0.827 271 D CB 0.044 40.842 40.800 -0.002 0.000 0.966 271 D HN 0.143 nan 8.370 nan 0.000 0.456 272 K N 1.064 121.450 120.400 -0.024 0.000 2.026 272 K HA -0.033 4.291 4.320 0.007 0.000 0.208 272 K C 1.987 178.507 176.600 -0.134 0.000 1.048 272 K CA 1.228 57.501 56.287 -0.024 0.000 0.929 272 K CB -0.520 31.997 32.500 0.027 0.000 0.713 272 K HN 0.029 nan 8.250 nan 0.000 0.439 273 A N 0.396 123.001 122.820 -0.357 0.000 1.940 273 A HA -0.159 4.166 4.320 0.007 0.000 0.219 273 A C 2.290 179.915 177.584 0.068 0.000 1.176 273 A CA 2.179 54.012 52.037 -0.341 0.000 0.631 273 A CB -0.914 17.949 19.000 -0.227 0.000 0.814 273 A HN 0.378 nan 8.150 nan 0.000 0.446 274 A N -0.771 122.087 122.820 0.063 0.000 1.872 274 A HA -0.112 4.212 4.320 0.007 0.000 0.214 274 A C 2.028 179.679 177.584 0.111 0.000 1.187 274 A CA 1.560 53.586 52.037 -0.018 0.000 0.614 274 A CB -0.508 18.353 19.000 -0.232 0.000 0.826 274 A HN 0.611 nan 8.150 nan 0.000 0.442 275 E N -0.206 120.032 120.200 0.063 0.000 2.058 275 E HA -0.239 4.115 4.350 0.007 0.000 0.194 275 E C 1.358 178.060 176.600 0.171 0.000 0.997 275 E CA 1.414 57.879 56.400 0.109 0.000 0.801 275 E CB -0.114 29.697 29.700 0.184 0.000 0.746 275 E HN 0.516 nan 8.360 nan 0.000 0.450 276 D N -0.028 120.464 120.400 0.153 0.000 2.104 276 D HA -0.157 4.487 4.640 0.007 0.000 0.194 276 D C 1.791 178.122 176.300 0.052 0.000 0.994 276 D CA 1.405 55.487 54.000 0.137 0.000 0.830 276 D CB -0.351 40.562 40.800 0.189 0.000 0.959 276 D HN 0.254 nan 8.370 nan 0.000 0.452 277 A N 0.481 123.328 122.820 0.045 0.000 1.933 277 A HA -0.133 4.191 4.320 0.007 0.000 0.218 277 A C 2.147 179.832 177.584 0.168 0.000 1.175 277 A CA 0.945 52.978 52.037 -0.006 0.000 0.628 277 A CB -0.618 18.253 19.000 -0.215 0.000 0.814 277 A HN 0.229 nan 8.150 nan 0.000 0.444 278 L N -1.384 119.988 121.223 0.248 0.000 1.988 278 L HA -0.071 4.274 4.340 0.007 0.000 0.207 278 L C 2.217 179.041 176.870 -0.076 0.000 1.071 278 L CA 1.977 56.861 54.840 0.074 0.000 0.744 278 L CB -0.779 41.005 42.059 -0.459 0.000 0.893 278 L HN 0.605 nan 8.230 nan 0.000 0.433 279 W N -0.780 120.616 121.300 0.161 0.000 2.518 279 W HA 0.125 4.789 4.660 0.008 0.000 0.273 279 W C 2.353 178.874 176.519 0.004 0.000 1.247 279 W CA 0.452 57.851 57.345 0.090 0.000 1.288 279 W CB -0.820 28.671 29.460 0.052 0.000 1.107 279 W HN 0.275 nan 8.180 nan 0.000 0.586 280 G N 0.838 109.691 108.800 0.087 0.000 2.440 280 G HA2 -0.300 3.665 3.960 0.007 0.000 0.218 280 G HA3 -0.300 3.665 3.960 0.007 0.000 0.218 280 G C 1.576 176.390 174.900 -0.144 0.000 1.154 280 G CA 1.397 46.430 45.100 -0.113 0.000 0.767 280 G HN 0.054 nan 8.290 nan 0.000 0.552 281 R N 0.245 120.619 120.500 -0.210 0.000 2.066 281 R HA 0.192 4.536 4.340 0.007 0.000 0.224 281 R C 1.920 177.934 176.300 -0.477 0.000 1.122 281 R CA 0.855 56.666 56.100 -0.482 0.000 0.974 281 R CB -0.910 28.880 30.300 -0.850 0.000 0.871 281 R HN 0.377 nan 8.270 nan 0.000 0.435 282 F N 0.635 120.604 119.950 0.032 0.000 2.749 282 F HA 0.472 5.003 4.527 0.007 0.000 0.300 282 F C 0.987 176.868 175.800 0.134 0.000 1.103 282 F CA -0.037 57.989 58.000 0.042 0.000 1.342 282 F CB -0.092 38.883 39.000 -0.040 0.000 1.098 282 F HN 0.014 nan 8.300 nan 0.000 0.586 283 A N 0.549 123.556 122.820 0.312 0.000 2.483 283 A HA 0.127 4.451 4.320 0.007 0.000 0.238 283 A C 1.149 178.822 177.584 0.149 0.000 1.070 283 A CA 0.039 52.245 52.037 0.282 0.000 0.770 283 A CB -0.251 18.899 19.000 0.250 0.000 1.008 283 A HN 0.484 nan 8.150 nan 0.000 0.497 284 N N -1.279 117.491 118.700 0.118 0.000 2.693 284 N HA -0.218 4.526 4.740 0.007 0.000 0.249 284 N C 0.365 175.857 175.510 -0.029 0.000 1.119 284 N CA 1.389 54.440 53.050 0.001 0.000 0.717 284 N CB -1.975 36.464 38.487 -0.081 0.000 1.071 284 N HN 1.687 nan 8.380 nan 0.000 0.555 285 C N -1.815 117.518 119.300 0.055 0.000 4.356 285 C HA -0.078 4.387 4.460 0.007 0.000 0.296 285 C C 1.693 176.675 174.990 -0.015 0.000 1.424 285 C CA 1.569 60.627 59.018 0.066 0.000 2.000 285 C CB -2.071 25.689 27.740 0.034 0.000 1.262 285 C HN 1.724 nan 8.230 nan 0.000 0.789 286 G N -0.327 108.431 108.800 -0.069 0.000 2.184 286 G HA2 -0.316 3.648 3.960 0.007 0.000 0.264 286 G HA3 -0.316 3.648 3.960 0.007 0.000 0.264 286 G C 0.052 174.668 174.900 -0.473 0.000 0.975 286 G CA 0.756 45.730 45.100 -0.210 0.000 0.642 286 G HN 0.952 nan 8.290 nan 0.000 0.536 287 Q N 0.308 119.788 119.800 -0.533 0.000 3.207 287 Q HA 0.492 4.836 4.340 0.007 0.000 0.335 287 Q C -0.277 175.218 176.000 -0.841 0.000 1.374 287 Q CA -0.085 55.033 55.803 -1.141 0.000 1.023 287 Q CB 0.883 29.379 28.738 -0.402 0.000 1.576 287 Q HN 0.376 nan 8.270 nan 0.000 0.515 288 V N -1.215 118.333 119.914 -0.610 0.000 2.841 288 V HA 0.110 4.235 4.120 0.007 0.000 0.310 288 V C 0.645 176.843 176.094 0.173 0.000 1.090 288 V CA -0.922 61.388 62.300 0.017 0.000 0.930 288 V CB 1.741 33.676 31.823 0.186 0.000 1.014 288 V HN 0.540 nan 8.190 nan 0.000 0.425 289 C N 1.435 120.964 119.300 0.383 0.000 2.432 289 C HA -0.076 4.388 4.460 0.007 0.000 0.282 289 C C 2.511 177.618 174.990 0.195 0.000 1.388 289 C CA 1.496 60.708 59.018 0.323 0.000 1.777 289 C CB -1.037 26.846 27.740 0.238 0.000 1.882 289 C HN 1.058 nan 8.230 nan 0.000 0.520 290 T N -3.164 111.510 114.554 0.201 0.000 3.086 290 T HA 0.125 4.479 4.350 0.007 0.000 0.250 290 T C 0.450 175.249 174.700 0.164 0.000 1.074 290 T CA -0.138 62.080 62.100 0.196 0.000 0.988 290 T CB -0.734 68.279 68.868 0.243 0.000 0.988 290 T HN 0.431 nan 8.240 nan 0.000 0.530 291 C N 2.391 121.740 119.300 0.081 0.000 2.597 291 C HA 0.189 4.653 4.460 0.007 0.000 0.412 291 C C 1.099 176.087 174.990 -0.004 0.000 1.348 291 C CA -0.865 58.147 59.018 -0.010 0.000 1.769 291 C CB -0.475 27.216 27.740 -0.081 0.000 2.641 291 C HN 0.469 nan 8.230 nan 0.000 0.612 292 V N 5.873 125.728 119.914 -0.098 0.000 2.425 292 V HA 0.010 4.134 4.120 0.007 0.000 0.276 292 V C 1.213 177.246 176.094 -0.100 0.000 1.017 292 V CA 0.933 63.183 62.300 -0.083 0.000 1.062 292 V CB 0.129 31.842 31.823 -0.182 0.000 0.997 292 V HN 0.875 nan 8.190 nan 0.000 0.476 293 E N 5.028 125.198 120.200 -0.050 0.000 2.472 293 E HA 0.136 4.490 4.350 0.007 0.000 0.196 293 E C 0.387 176.936 176.600 -0.084 0.000 1.033 293 E CA 0.069 56.431 56.400 -0.065 0.000 0.886 293 E CB 0.518 30.200 29.700 -0.031 0.000 0.944 293 E HN 0.823 nan 8.360 nan 0.000 0.492 294 R N -0.139 120.297 120.500 -0.106 0.000 2.736 294 R HA 0.398 4.743 4.340 0.007 0.000 0.250 294 R C -1.600 174.547 176.300 -0.255 0.000 1.098 294 R CA -0.790 55.188 56.100 -0.203 0.000 0.978 294 R CB 0.531 30.686 30.300 -0.243 0.000 1.263 294 R HN -0.121 nan 8.270 nan 0.000 0.460 295 L N 2.803 123.825 121.223 -0.335 0.000 2.333 295 L HA 0.541 4.885 4.340 0.007 0.000 0.280 295 L C -1.645 174.991 176.870 -0.391 0.000 1.004 295 L CA -0.910 53.763 54.840 -0.279 0.000 0.820 295 L CB 1.332 43.256 42.059 -0.225 0.000 1.247 295 L HN 0.653 nan 8.230 nan 0.000 0.416 296 Y N 4.346 124.629 120.300 -0.029 0.000 2.331 296 Y HA 0.680 5.234 4.550 0.007 0.000 0.338 296 Y C -0.151 175.700 175.900 -0.082 0.000 0.992 296 Y CA -0.734 57.367 58.100 0.001 0.000 1.121 296 Y CB 1.857 40.345 38.460 0.047 0.000 1.184 296 Y HN 0.319 nan 8.280 nan 0.000 0.469 297 V N 3.018 122.971 119.914 0.065 0.000 2.656 297 V HA 0.184 4.308 4.120 0.007 0.000 0.307 297 V C -0.203 175.938 176.094 0.078 0.000 1.051 297 V CA -1.139 61.133 62.300 -0.046 0.000 0.893 297 V CB 1.476 33.202 31.823 -0.162 0.000 0.999 297 V HN 0.712 nan 8.190 nan 0.000 0.426 298 H N 2.787 121.851 119.070 -0.010 0.000 2.928 298 H HA 0.171 4.730 4.556 0.006 0.000 0.338 298 H C 1.187 176.560 175.328 0.074 0.000 1.047 298 H CA 0.693 56.752 56.048 0.017 0.000 1.435 298 H CB 1.868 31.628 29.762 -0.003 0.000 1.428 298 H HN 0.853 nan 8.280 nan 0.000 0.590 299 A N 3.663 126.462 122.820 -0.034 0.000 1.933 299 A HA -0.194 4.130 4.320 0.007 0.000 0.218 299 A C 2.558 180.280 177.584 0.230 0.000 1.175 299 A CA 1.766 53.847 52.037 0.073 0.000 0.628 299 A CB -0.601 18.356 19.000 -0.071 0.000 0.814 299 A HN 0.715 nan 8.150 nan 0.000 0.444 300 S N -0.488 115.452 115.700 0.399 0.000 2.442 300 S HA -0.072 4.402 4.470 0.007 0.000 0.236 300 S C 1.382 176.091 174.600 0.183 0.000 1.007 300 S CA 1.686 60.041 58.200 0.259 0.000 0.965 300 S CB -0.445 62.871 63.200 0.193 0.000 0.773 300 S HN 1.065 nan 8.310 nan 0.000 0.504 301 V N -1.690 118.353 119.914 0.214 0.000 3.253 301 V HA 0.418 4.542 4.120 0.007 0.000 0.320 301 V C 1.239 177.453 176.094 0.200 0.000 1.442 301 V CA -0.206 62.190 62.300 0.160 0.000 1.097 301 V CB -1.297 30.588 31.823 0.104 0.000 1.008 301 V HN 0.428 nan 8.190 nan 0.000 0.463 302 Y N 2.239 122.609 120.300 0.116 0.000 2.097 302 Y HA -0.199 4.355 4.550 0.006 0.000 0.282 302 Y C 2.256 178.250 175.900 0.156 0.000 1.152 302 Y CA 2.571 60.743 58.100 0.120 0.000 1.136 302 Y CB 0.030 38.540 38.460 0.083 0.000 0.975 302 Y HN 0.316 nan 8.280 nan 0.000 0.498 303 D N -0.019 120.493 120.400 0.186 0.000 2.078 303 D HA -0.233 4.411 4.640 0.007 0.000 0.193 303 D C 2.008 178.328 176.300 0.033 0.000 0.990 303 D CA 2.014 56.074 54.000 0.101 0.000 0.827 303 D CB -0.605 40.276 40.800 0.134 0.000 0.975 303 D HN 0.765 nan 8.370 nan 0.000 0.451 304 E N -0.002 120.237 120.200 0.065 0.000 2.208 304 E HA -0.151 4.203 4.350 0.007 0.000 0.193 304 E C 2.138 178.759 176.600 0.036 0.000 0.988 304 E CA 0.382 56.807 56.400 0.042 0.000 0.828 304 E CB -0.608 29.122 29.700 0.049 0.000 0.763 304 E HN 0.270 nan 8.360 nan 0.000 0.478 305 F N 1.642 121.551 119.950 -0.068 0.000 2.113 305 F HA -0.123 4.408 4.527 0.006 0.000 0.297 305 F C 2.237 177.993 175.800 -0.073 0.000 1.103 305 F CA 1.426 59.377 58.000 -0.081 0.000 1.248 305 F CB 0.001 38.934 39.000 -0.112 0.000 0.999 305 F HN -0.066 nan 8.300 nan 0.000 0.475 306 M N 0.537 120.118 119.600 -0.032 0.000 2.117 306 M HA -0.128 4.356 4.480 0.007 0.000 0.262 306 M C 2.554 178.795 176.300 -0.099 0.000 1.065 306 M CA 1.559 56.808 55.300 -0.085 0.000 1.114 306 M CB -1.997 30.471 32.600 -0.221 0.000 1.361 306 M HN 0.334 nan 8.290 nan 0.000 0.408 307 A N 0.227 122.994 122.820 -0.088 0.000 1.978 307 A HA -0.205 4.120 4.320 0.007 0.000 0.220 307 A C 2.305 179.822 177.584 -0.113 0.000 1.170 307 A CA 1.802 53.793 52.037 -0.078 0.000 0.636 307 A CB -0.490 18.483 19.000 -0.045 0.000 0.810 307 A HN 0.513 nan 8.150 nan 0.000 0.448 308 K N -2.167 118.136 120.400 -0.162 0.000 2.067 308 K HA 0.068 4.393 4.320 0.007 0.000 0.203 308 K C 1.806 178.269 176.600 -0.229 0.000 1.048 308 K CA 1.239 57.409 56.287 -0.195 0.000 0.954 308 K CB -0.222 32.137 32.500 -0.234 0.000 0.737 308 K HN 0.472 nan 8.250 nan 0.000 0.444 309 F N 1.525 121.176 119.950 -0.497 0.000 2.118 309 F HA -0.055 4.476 4.527 0.007 0.000 0.293 309 F C 1.927 177.559 175.800 -0.280 0.000 1.102 309 F CA 0.598 58.306 58.000 -0.486 0.000 1.247 309 F CB -0.333 38.230 39.000 -0.728 0.000 1.017 309 F HN -0.159 nan 8.300 nan 0.000 0.475 310 L N 1.435 122.486 121.223 -0.286 0.000 2.043 310 L HA -0.101 4.244 4.340 0.007 0.000 0.212 310 L C -0.871 175.803 176.870 -0.325 0.000 1.075 310 L CA 2.184 56.837 54.840 -0.311 0.000 0.752 310 L CB -1.867 40.120 42.059 -0.119 0.000 0.891 310 L HN 0.014 nan 8.230 nan 0.000 0.432 311 P HA -0.150 nan 4.420 nan 0.000 0.218 311 P C 1.812 178.944 177.300 -0.280 0.000 1.148 311 P CA 1.003 63.969 63.100 -0.223 0.000 0.822 311 P CB 0.029 31.630 31.700 -0.165 0.000 0.784 312 L N -1.220 119.786 121.223 -0.362 0.000 2.093 312 L HA -0.106 4.238 4.340 0.007 0.000 0.208 312 L C 2.415 178.976 176.870 -0.515 0.000 1.085 312 L CA 1.534 56.135 54.840 -0.399 0.000 0.755 312 L CB -1.618 40.190 42.059 -0.418 0.000 0.904 312 L HN -0.133 nan 8.230 nan 0.000 0.435 313 V N -0.632 118.879 119.914 -0.671 0.000 2.261 313 V HA -0.311 3.813 4.120 0.007 0.000 0.246 313 V C 2.563 178.356 176.094 -0.501 0.000 1.047 313 V CA 1.620 63.497 62.300 -0.706 0.000 1.015 313 V CB -0.528 30.864 31.823 -0.718 0.000 0.642 313 V HN 0.322 nan 8.190 nan 0.000 0.446 314 K N 0.724 120.902 120.400 -0.370 0.000 2.113 314 K HA -0.144 4.180 4.320 0.007 0.000 0.208 314 K C 1.975 178.438 176.600 -0.227 0.000 1.047 314 K CA 1.498 57.630 56.287 -0.260 0.000 0.928 314 K CB -0.908 31.473 32.500 -0.199 0.000 0.716 314 K HN 0.543 nan 8.250 nan 0.000 0.446 315 G N -0.194 108.468 108.800 -0.231 0.000 2.708 315 G HA2 -0.058 3.906 3.960 0.007 0.000 0.210 315 G HA3 -0.058 3.906 3.960 0.007 0.000 0.210 315 G C -0.024 174.781 174.900 -0.157 0.000 1.141 315 G CA -0.049 44.948 45.100 -0.172 0.000 0.788 315 G HN 0.082 nan 8.290 nan 0.000 0.531 316 L N 0.950 122.046 121.223 -0.211 0.000 2.369 316 L HA 0.251 4.595 4.340 0.007 0.000 0.279 316 L C 0.479 177.283 176.870 -0.109 0.000 1.108 316 L CA -0.541 54.200 54.840 -0.164 0.000 0.852 316 L CB 1.192 43.099 42.059 -0.253 0.000 1.169 316 L HN -0.135 nan 8.230 nan 0.000 0.452 317 K N 3.819 124.185 120.400 -0.058 0.000 2.336 317 K HA 0.199 4.524 4.320 0.007 0.000 0.290 317 K C -0.630 175.951 176.600 -0.032 0.000 1.067 317 K CA -0.102 56.155 56.287 -0.051 0.000 0.962 317 K CB 0.481 32.961 32.500 -0.034 0.000 1.008 317 K HN 0.313 nan 8.250 nan 0.000 0.467 318 V N 3.929 123.814 119.914 -0.048 0.000 2.465 318 V HA 0.903 5.027 4.120 0.007 0.000 0.279 318 V C 0.159 176.197 176.094 -0.094 0.000 1.045 318 V CA 0.672 62.970 62.300 -0.003 0.000 0.938 318 V CB 0.413 32.267 31.823 0.051 0.000 0.986 318 V HN 0.868 nan 8.190 nan 0.000 0.467 319 G N 3.855 112.623 108.800 -0.054 0.000 2.428 319 G HA2 0.266 4.230 3.960 0.007 0.000 0.304 319 G HA3 0.266 4.230 3.960 0.007 0.000 0.304 319 G C -1.185 173.639 174.900 -0.127 0.000 1.303 319 G CA -0.396 44.546 45.100 -0.263 0.000 0.825 319 G HN 0.888 nan 8.290 nan 0.000 0.484 320 D N 1.057 121.227 120.400 -0.384 0.000 2.662 320 D HA 0.067 4.711 4.640 0.007 0.000 0.237 320 D C -0.650 175.586 176.300 -0.107 0.000 1.154 320 D CA -0.889 52.851 54.000 -0.433 0.000 0.861 320 D CB 1.284 41.752 40.800 -0.553 0.000 1.146 320 D HN 0.059 nan 8.370 nan 0.000 0.518 321 P HA -0.105 nan 4.420 nan 0.000 0.234 321 P C 1.133 178.438 177.300 0.009 0.000 1.167 321 P CA 0.516 63.621 63.100 0.009 0.000 0.763 321 P CB 0.187 31.890 31.700 0.004 0.000 0.835 322 M N -1.046 118.557 119.600 0.004 0.000 2.541 322 M HA 0.094 4.578 4.480 0.007 0.000 0.252 322 M C 0.633 176.949 176.300 0.027 0.000 1.125 322 M CA 0.428 55.748 55.300 0.033 0.000 1.091 322 M CB -0.720 31.919 32.600 0.066 0.000 1.420 322 M HN -0.069 nan 8.290 nan 0.000 0.486 323 D N 0.617 121.020 120.400 0.006 0.000 2.264 323 D HA 0.329 4.973 4.640 0.007 0.000 0.250 323 D C 0.635 176.939 176.300 0.007 0.000 1.113 323 D CA 0.063 54.067 54.000 0.008 0.000 0.871 323 D CB 1.780 42.573 40.800 -0.011 0.000 1.167 323 D HN 0.136 nan 8.370 nan 0.000 0.447 324 A N 3.917 126.744 122.820 0.011 0.000 2.209 324 A HA -0.106 4.218 4.320 0.007 0.000 0.212 324 A C 1.427 179.015 177.584 0.006 0.000 1.158 324 A CA 0.792 52.835 52.037 0.009 0.000 0.742 324 A CB 0.065 19.070 19.000 0.008 0.000 0.790 324 A HN 0.540 nan 8.150 nan 0.000 0.472 325 D N 0.311 120.714 120.400 0.004 0.000 2.213 325 D HA 0.006 4.650 4.640 0.007 0.000 0.205 325 D C 0.750 177.054 176.300 0.007 0.000 0.961 325 D CA 0.821 54.823 54.000 0.002 0.000 0.853 325 D CB -0.178 40.619 40.800 -0.005 0.000 0.967 325 D HN 0.444 nan 8.370 nan 0.000 0.496 326 S N 0.601 116.304 115.700 0.005 0.000 2.564 326 S HA 0.179 4.653 4.470 0.007 0.000 0.278 326 S C 0.824 175.454 174.600 0.050 0.000 1.333 326 S CA -0.328 57.882 58.200 0.016 0.000 1.048 326 S CB 1.599 64.802 63.200 0.006 0.000 0.900 326 S HN 0.113 nan 8.310 nan 0.000 0.505 327 Q N 0.724 120.571 119.800 0.078 0.000 2.246 327 Q HA 0.396 4.740 4.340 0.007 0.000 0.222 327 Q C -0.310 175.796 176.000 0.175 0.000 0.851 327 Q CA 0.256 56.148 55.803 0.149 0.000 0.945 327 Q CB 0.529 29.394 28.738 0.213 0.000 1.122 327 Q HN 0.694 nan 8.270 nan 0.000 0.508 328 M N 0.149 119.825 119.600 0.127 0.000 2.284 328 M HA 0.459 4.944 4.480 0.007 0.000 0.281 328 M C -0.964 175.437 176.300 0.168 0.000 1.083 328 M CA -0.492 54.895 55.300 0.144 0.000 0.965 328 M CB 1.709 34.392 32.600 0.138 0.000 1.717 328 M HN 0.178 nan 8.290 nan 0.000 0.479 329 G N 3.335 112.219 108.800 0.139 0.000 2.543 329 G HA2 0.758 4.722 3.960 0.007 0.000 0.267 329 G HA3 0.758 4.722 3.960 0.007 0.000 0.267 329 G C -2.964 171.952 174.900 0.026 0.000 1.406 329 G CA -0.867 44.324 45.100 0.151 0.000 1.048 329 G HN 0.416 nan 8.290 nan 0.000 0.548 330 P HA 0.247 nan 4.420 nan 0.000 0.276 330 P C -0.516 176.599 177.300 -0.309 0.000 1.252 330 P CA -0.493 62.207 63.100 -0.667 0.000 0.802 330 P CB 1.079 31.957 31.700 -1.370 0.000 1.035 331 K N 0.377 120.642 120.400 -0.225 0.000 2.230 331 K HA 0.051 4.375 4.320 0.007 0.000 0.253 331 K C 1.437 177.865 176.600 -0.287 0.000 1.008 331 K CA -0.127 56.057 56.287 -0.171 0.000 0.910 331 K CB -0.036 32.405 32.500 -0.099 0.000 0.994 331 K HN 0.526 nan 8.250 nan 0.000 0.495 332 C N 1.371 120.455 119.300 -0.359 0.000 2.446 332 C HA -0.122 4.342 4.460 0.007 0.000 0.277 332 C C 0.833 175.549 174.990 -0.458 0.000 1.275 332 C CA 1.058 59.757 59.018 -0.532 0.000 1.727 332 C CB -0.895 26.166 27.740 -1.132 0.000 2.010 332 C HN 0.961 nan 8.230 nan 0.000 0.486 333 N N -2.592 115.869 118.700 -0.398 0.000 2.972 333 N HA 0.239 4.983 4.740 0.007 0.000 0.262 333 N C 0.012 175.421 175.510 -0.169 0.000 1.478 333 N CA -0.633 52.251 53.050 -0.276 0.000 0.841 333 N CB 0.256 38.567 38.487 -0.292 0.000 1.512 333 N HN -0.008 nan 8.380 nan 0.000 0.548 334 Q N -0.247 119.485 119.800 -0.113 0.000 2.079 334 Q HA -0.075 4.270 4.340 0.007 0.000 0.200 334 Q C 1.598 177.576 176.000 -0.036 0.000 0.974 334 Q CA 1.300 57.069 55.803 -0.056 0.000 0.840 334 Q CB -0.304 28.414 28.738 -0.033 0.000 0.898 334 Q HN 0.655 nan 8.270 nan 0.000 0.430 335 R N 1.089 121.564 120.500 -0.041 0.000 2.091 335 R HA -0.150 4.194 4.340 0.007 0.000 0.238 335 R C 2.062 178.365 176.300 0.005 0.000 1.136 335 R CA 1.225 57.322 56.100 -0.005 0.000 0.959 335 R CB 0.045 30.342 30.300 -0.006 0.000 0.856 335 R HN 0.140 nan 8.270 nan 0.000 0.437 336 E N 0.242 120.424 120.200 -0.031 0.000 2.077 336 E HA -0.163 4.191 4.350 0.007 0.000 0.193 336 E C 1.973 178.554 176.600 -0.032 0.000 0.989 336 E CA 1.004 57.401 56.400 -0.006 0.000 0.800 336 E CB -0.138 29.534 29.700 -0.046 0.000 0.746 336 E HN 0.360 nan 8.360 nan 0.000 0.452 337 I N 1.842 122.383 120.570 -0.047 0.000 2.163 337 I HA -0.257 3.918 4.170 0.007 0.000 0.243 337 I C 1.802 177.893 176.117 -0.043 0.000 1.085 337 I CA 1.300 62.575 61.300 -0.042 0.000 1.347 337 I CB -1.091 36.937 38.000 0.046 0.000 1.044 337 I HN 0.045 nan 8.210 nan 0.000 0.408 338 D N 0.875 121.266 120.400 -0.015 0.000 2.106 338 D HA -0.222 4.422 4.640 0.007 0.000 0.191 338 D C 1.921 178.244 176.300 0.039 0.000 0.997 338 D CA 1.418 55.404 54.000 -0.024 0.000 0.834 338 D CB -0.570 40.268 40.800 0.063 0.000 0.956 338 D HN 0.265 nan 8.370 nan 0.000 0.448 339 N N 1.068 119.820 118.700 0.087 0.000 2.036 339 N HA -0.147 4.598 4.740 0.007 0.000 0.195 339 N C 2.028 177.581 175.510 0.072 0.000 1.037 339 N CA 1.356 54.479 53.050 0.121 0.000 0.855 339 N CB -0.349 38.196 38.487 0.097 0.000 1.033 339 N HN 0.407 nan 8.380 nan 0.000 0.423 340 I N -2.606 117.940 120.570 -0.040 0.000 2.439 340 I HA -0.047 4.127 4.170 0.007 0.000 0.251 340 I C 1.677 177.711 176.117 -0.138 0.000 1.139 340 I CA 1.559 62.778 61.300 -0.135 0.000 1.438 340 I CB -0.492 37.316 38.000 -0.320 0.000 1.085 340 I HN -0.078 nan 8.210 nan 0.000 0.427 341 D N 0.864 121.196 120.400 -0.113 0.000 2.149 341 D HA -0.186 4.458 4.640 0.007 0.000 0.201 341 D C 2.241 178.637 176.300 0.159 0.000 0.972 341 D CA 1.253 55.273 54.000 0.033 0.000 0.835 341 D CB -0.100 40.773 40.800 0.122 0.000 0.966 341 D HN 0.365 nan 8.370 nan 0.000 0.476 342 H N 0.028 119.201 119.070 0.171 0.000 2.321 342 H HA -0.064 4.496 4.556 0.007 0.000 0.300 342 H C 2.381 177.786 175.328 0.128 0.000 1.087 342 H CA 1.052 57.200 56.048 0.167 0.000 1.319 342 H CB -0.395 29.424 29.762 0.095 0.000 1.379 342 H HN 0.270 nan 8.280 nan 0.000 0.501 343 I N -0.002 120.685 120.570 0.196 0.000 2.163 343 I HA -0.245 3.929 4.170 0.007 0.000 0.243 343 I C 2.603 178.767 176.117 0.078 0.000 1.085 343 I CA 0.797 62.166 61.300 0.116 0.000 1.347 343 I CB -0.371 37.676 38.000 0.078 0.000 1.044 343 I HN -0.010 nan 8.210 nan 0.000 0.408 344 V N 0.637 120.567 119.914 0.027 0.000 2.252 344 V HA -0.357 3.768 4.120 0.007 0.000 0.249 344 V C 2.366 178.412 176.094 -0.080 0.000 1.056 344 V CA 2.374 64.645 62.300 -0.048 0.000 1.022 344 V CB -1.043 30.717 31.823 -0.105 0.000 0.641 344 V HN 0.447 nan 8.190 nan 0.000 0.445 345 H N -0.618 118.512 119.070 0.099 0.000 2.353 345 H HA -0.141 4.420 4.556 0.007 0.000 0.300 345 H C 2.389 177.767 175.328 0.083 0.000 1.090 345 H CA 1.623 57.726 56.048 0.092 0.000 1.327 345 H CB 0.008 29.830 29.762 0.101 0.000 1.383 345 H HN 0.366 nan 8.280 nan 0.000 0.508 346 E N 0.478 120.796 120.200 0.197 0.000 2.077 346 E HA -0.140 4.215 4.350 0.007 0.000 0.193 346 E C 2.325 178.978 176.600 0.089 0.000 0.989 346 E CA 1.012 57.488 56.400 0.127 0.000 0.800 346 E CB -0.238 29.527 29.700 0.109 0.000 0.746 346 E HN 0.489 nan 8.360 nan 0.000 0.452 347 A N 0.483 123.350 122.820 0.078 0.000 1.865 347 A HA -0.207 4.118 4.320 0.007 0.000 0.217 347 A C 2.264 179.881 177.584 0.054 0.000 1.191 347 A CA 1.564 53.635 52.037 0.058 0.000 0.623 347 A CB -0.812 18.217 19.000 0.048 0.000 0.826 347 A HN 0.255 nan 8.150 nan 0.000 0.444 348 I N -0.495 120.109 120.570 0.056 0.000 2.118 348 I HA -0.344 3.830 4.170 0.007 0.000 0.241 348 I C 2.517 178.672 176.117 0.063 0.000 1.070 348 I CA 2.038 63.373 61.300 0.058 0.000 1.327 348 I CB -0.310 37.731 38.000 0.070 0.000 1.034 348 I HN 0.287 nan 8.210 nan 0.000 0.405 349 K N 0.192 120.638 120.400 0.077 0.000 2.152 349 K HA -0.224 4.101 4.320 0.007 0.000 0.206 349 K C 1.944 178.572 176.600 0.047 0.000 1.048 349 K CA 1.327 57.653 56.287 0.065 0.000 0.933 349 K CB -0.112 32.432 32.500 0.073 0.000 0.721 349 K HN 0.425 nan 8.250 nan 0.000 0.447 350 Q N -1.139 118.688 119.800 0.045 0.000 2.403 350 Q HA 0.056 4.400 4.340 0.007 0.000 0.203 350 Q C 0.519 176.537 176.000 0.030 0.000 0.932 350 Q CA 0.479 56.302 55.803 0.033 0.000 0.945 350 Q CB 0.938 29.694 28.738 0.031 0.000 1.045 350 Q HN 0.505 nan 8.270 nan 0.000 0.511 351 G N -0.192 108.629 108.800 0.035 0.000 2.159 351 G HA2 -0.151 3.814 3.960 0.007 0.000 0.170 351 G HA3 -0.151 3.814 3.960 0.007 0.000 0.170 351 G C 0.023 174.943 174.900 0.034 0.000 1.007 351 G CA -0.262 44.857 45.100 0.032 0.000 0.672 351 G HN 0.420 nan 8.290 nan 0.000 0.507 352 A N 0.185 123.028 122.820 0.039 0.000 2.371 352 A HA 0.745 5.070 4.320 0.007 0.000 0.257 352 A C 0.592 178.202 177.584 0.043 0.000 1.089 352 A CA 0.798 52.860 52.037 0.042 0.000 0.794 352 A CB 0.539 19.565 19.000 0.043 0.000 1.029 352 A HN 0.700 nan 8.150 nan 0.000 0.488 353 T N 1.843 116.426 114.554 0.049 0.000 2.767 353 T HA 0.391 4.745 4.350 0.007 0.000 0.284 353 T C -0.078 174.653 174.700 0.051 0.000 0.973 353 T CA -0.299 61.830 62.100 0.049 0.000 0.996 353 T CB 0.965 69.867 68.868 0.056 0.000 0.927 353 T HN 0.390 nan 8.240 nan 0.000 0.456 354 V N 3.921 123.860 119.914 0.040 0.000 2.381 354 V HA 0.204 4.329 4.120 0.007 0.000 0.257 354 V C 1.409 177.524 176.094 0.036 0.000 1.057 354 V CA -0.103 62.219 62.300 0.037 0.000 1.013 354 V CB -0.178 31.657 31.823 0.021 0.000 1.069 354 V HN 1.140 nan 8.190 nan 0.000 0.484 355 A N 4.495 127.344 122.820 0.048 0.000 1.968 355 A HA 0.181 4.505 4.320 0.007 0.000 0.217 355 A C 1.051 178.640 177.584 0.008 0.000 1.169 355 A CA 1.135 53.195 52.037 0.038 0.000 0.638 355 A CB 0.086 19.123 19.000 0.062 0.000 0.812 355 A HN 0.691 nan 8.150 nan 0.000 0.446 356 T N -3.115 111.443 114.554 0.006 0.000 2.830 356 T HA 0.562 4.916 4.350 0.007 0.000 0.322 356 T C 0.251 174.943 174.700 -0.013 0.000 1.501 356 T CA 0.096 62.180 62.100 -0.027 0.000 1.036 356 T CB 1.171 69.996 68.868 -0.072 0.000 1.379 356 T HN 1.721 nan 8.240 nan 0.000 0.493 357 G N 0.825 109.599 108.800 -0.043 0.000 2.512 357 G HA2 0.256 4.221 3.960 0.007 0.000 0.254 357 G HA3 0.256 4.221 3.960 0.007 0.000 0.254 357 G C 0.868 175.740 174.900 -0.047 0.000 1.199 357 G CA 1.026 46.097 45.100 -0.047 0.000 0.941 357 G HN 2.382 nan 8.290 nan 0.000 0.569 358 G N -1.300 107.497 108.800 -0.005 0.000 2.148 358 G HA2 -0.127 3.837 3.960 0.007 0.000 0.254 358 G HA3 -0.127 3.837 3.960 0.007 0.000 0.254 358 G C 0.223 175.040 174.900 -0.138 0.000 0.981 358 G CA 1.997 47.109 45.100 0.021 0.000 0.670 358 G HN 1.105 nan 8.290 nan 0.000 0.528 359 K N -0.694 119.462 120.400 -0.407 0.000 2.466 359 K HA 0.556 4.880 4.320 0.007 0.000 0.260 359 K C -0.132 175.994 176.600 -0.789 0.000 1.011 359 K CA -0.739 55.287 56.287 -0.435 0.000 0.871 359 K CB 1.381 33.763 32.500 -0.197 0.000 1.404 359 K HN 0.021 nan 8.250 nan 0.000 0.450 360 T N 1.589 115.886 114.554 -0.429 0.000 2.902 360 T HA 0.113 4.467 4.350 0.007 0.000 0.301 360 T C -0.113 174.498 174.700 -0.148 0.000 1.012 360 T CA -0.042 61.922 62.100 -0.227 0.000 1.151 360 T CB 0.438 69.303 68.868 -0.004 0.000 0.946 360 T HN 0.572 nan 8.240 nan 0.000 0.542 361 A N 3.807 126.601 122.820 -0.045 0.000 2.401 361 A HA 0.450 4.774 4.320 0.007 0.000 0.259 361 A C 0.742 178.280 177.584 -0.077 0.000 1.103 361 A CA -0.536 51.477 52.037 -0.041 0.000 0.789 361 A CB 0.159 19.185 19.000 0.044 0.000 1.035 361 A HN 0.756 nan 8.150 nan 0.000 0.491 362 T N 2.515 116.990 114.554 -0.132 0.000 2.723 362 T HA 0.448 4.803 4.350 0.007 0.000 0.297 362 T C -0.341 174.199 174.700 -0.267 0.000 0.925 362 T CA -0.077 61.927 62.100 -0.160 0.000 1.030 362 T CB 0.097 68.898 68.868 -0.112 0.000 0.905 362 T HN 0.412 nan 8.240 nan 0.000 0.502 363 V N 4.060 123.736 119.914 -0.397 0.000 2.380 363 V HA 0.275 4.399 4.120 0.007 0.000 0.286 363 V C -0.077 175.888 176.094 -0.215 0.000 1.015 363 V CA -1.140 60.861 62.300 -0.499 0.000 0.834 363 V CB 1.317 32.393 31.823 -1.245 0.000 1.009 363 V HN 0.776 nan 8.190 nan 0.000 0.428 364 E N 2.781 122.922 120.200 -0.098 0.000 2.384 364 E HA 0.463 4.817 4.350 0.007 0.000 0.266 364 E C 1.323 177.918 176.600 -0.008 0.000 1.012 364 E CA 1.035 57.408 56.400 -0.044 0.000 0.901 364 E CB 0.612 30.286 29.700 -0.044 0.000 0.967 364 E HN 0.991 nan 8.360 nan 0.000 0.435 365 G N 1.983 110.714 108.800 -0.115 0.000 2.189 365 G HA2 -0.324 3.641 3.960 0.007 0.000 0.267 365 G HA3 -0.324 3.641 3.960 0.007 0.000 0.267 365 G C 0.313 174.856 174.900 -0.595 0.000 0.975 365 G CA 0.209 45.116 45.100 -0.322 0.000 0.644 365 G HN 0.459 nan 8.290 nan 0.000 0.537 366 F N 0.578 120.514 119.950 -0.023 0.000 2.835 366 F HA 0.431 4.963 4.527 0.007 0.000 0.342 366 F C 1.441 177.354 175.800 0.187 0.000 1.202 366 F CA -0.129 57.936 58.000 0.107 0.000 1.240 366 F CB 0.768 39.839 39.000 0.118 0.000 1.005 366 F HN 0.077 nan 8.300 nan 0.000 0.507 367 E N 0.320 120.615 120.200 0.158 0.000 2.204 367 E HA -0.099 4.255 4.350 0.007 0.000 0.195 367 E C 2.462 179.183 176.600 0.201 0.000 0.990 367 E CA 1.142 57.630 56.400 0.146 0.000 0.821 367 E CB -0.257 29.474 29.700 0.051 0.000 0.750 367 E HN 0.438 nan 8.360 nan 0.000 0.477 368 G N 0.278 109.191 108.800 0.187 0.000 2.744 368 G HA2 0.042 4.006 3.960 0.007 0.000 0.211 368 G HA3 0.042 4.006 3.960 0.007 0.000 0.211 368 G C 0.788 175.792 174.900 0.172 0.000 1.143 368 G CA 0.319 45.507 45.100 0.145 0.000 0.788 368 G HN 0.323 nan 8.290 nan 0.000 0.534 369 G N -1.088 107.912 108.800 0.333 0.000 2.588 369 G HA2 0.337 4.301 3.960 0.007 0.000 0.281 369 G HA3 0.337 4.301 3.960 0.007 0.000 0.281 369 G C -0.418 174.431 174.900 -0.085 0.000 1.236 369 G CA -0.354 44.815 45.100 0.114 0.000 0.969 369 G HN 0.141 nan 8.290 nan 0.000 0.504 370 C N 0.810 119.825 119.300 -0.475 0.000 2.185 370 C HA 0.390 4.854 4.460 0.007 0.000 0.357 370 C C -0.654 174.125 174.990 -0.351 0.000 1.053 370 C CA -0.930 57.913 59.018 -0.291 0.000 1.552 370 C CB -2.103 25.482 27.740 -0.258 0.000 1.679 370 C HN 0.513 nan 8.230 nan 0.000 0.453 371 W N 0.964 122.304 121.300 0.066 0.000 2.551 371 W HA 0.607 5.271 4.660 0.007 0.000 0.330 371 W C -0.172 176.431 176.519 0.139 0.000 1.063 371 W CA -0.596 56.792 57.345 0.073 0.000 1.222 371 W CB 0.792 30.272 29.460 0.033 0.000 1.349 371 W HN 0.432 nan 8.180 nan 0.000 0.536 372 Y N 0.979 121.417 120.300 0.230 0.000 2.534 372 Y HA 0.287 4.841 4.550 0.007 0.000 0.345 372 Y C -0.092 175.882 175.900 0.124 0.000 1.031 372 Y CA -1.255 56.930 58.100 0.141 0.000 1.022 372 Y CB 1.725 40.238 38.460 0.089 0.000 1.292 372 Y HN 0.401 nan 8.280 nan 0.000 0.459 373 E N 5.779 125.910 120.200 -0.115 0.000 2.331 373 E HA 0.217 4.571 4.350 0.007 0.000 0.272 373 E C -2.463 174.210 176.600 0.123 0.000 1.036 373 E CA -2.014 54.364 56.400 -0.037 0.000 0.864 373 E CB 0.556 30.155 29.700 -0.168 0.000 1.035 373 E HN 0.258 nan 8.360 nan 0.000 0.408 374 P HA -0.056 nan 4.420 nan 0.000 0.260 374 P C -0.891 176.416 177.300 0.012 0.000 1.185 374 P CA 0.364 63.419 63.100 -0.075 0.000 0.763 374 P CB 0.366 31.736 31.700 -0.549 0.000 0.776 375 T N 3.048 117.760 114.554 0.264 0.000 2.812 375 T HA 0.406 4.760 4.350 0.007 0.000 0.282 375 T C -0.293 174.564 174.700 0.261 0.000 0.990 375 T CA -0.458 61.775 62.100 0.221 0.000 0.960 375 T CB 1.306 70.341 68.868 0.278 0.000 0.948 375 T HN 0.036 nan 8.240 nan 0.000 0.438 376 V N 4.837 124.851 119.914 0.167 0.000 2.531 376 V HA 0.460 4.584 4.120 0.007 0.000 0.301 376 V C -0.937 175.234 176.094 0.128 0.000 1.034 376 V CA -0.947 61.464 62.300 0.184 0.000 0.865 376 V CB 1.726 33.657 31.823 0.180 0.000 0.995 376 V HN 0.640 nan 8.190 nan 0.000 0.424 377 L N 6.249 127.545 121.223 0.121 0.000 2.295 377 L HA 0.716 5.060 4.340 0.007 0.000 0.285 377 L C 0.159 177.094 176.870 0.109 0.000 1.035 377 L CA -0.089 54.807 54.840 0.094 0.000 0.806 377 L CB 1.430 43.530 42.059 0.068 0.000 1.214 377 L HN 0.607 nan 8.230 nan 0.000 0.426 378 V N -1.013 118.968 119.914 0.111 0.000 3.182 378 V HA 0.654 4.779 4.120 0.007 0.000 0.311 378 V C -0.272 175.881 176.094 0.098 0.000 1.221 378 V CA -1.021 61.363 62.300 0.140 0.000 1.060 378 V CB 1.762 33.703 31.823 0.197 0.000 1.164 378 V HN 0.776 nan 8.190 nan 0.000 0.466 379 D N -0.291 120.163 120.400 0.091 0.000 2.697 379 D HA -0.127 4.518 4.640 0.007 0.000 0.235 379 D C -0.358 175.964 176.300 0.037 0.000 1.167 379 D CA 0.821 54.848 54.000 0.044 0.000 0.656 379 D CB -1.017 39.809 40.800 0.042 0.000 1.025 379 D HN 0.625 nan 8.370 nan 0.000 0.419 380 V N 0.612 120.549 119.914 0.037 0.000 2.417 380 V HA 0.320 4.444 4.120 0.007 0.000 0.291 380 V C 0.736 176.841 176.094 0.019 0.000 1.024 380 V CA -0.789 61.528 62.300 0.027 0.000 0.861 380 V CB 2.045 33.882 31.823 0.022 0.000 0.985 380 V HN 0.168 nan 8.190 nan 0.000 0.436 381 K N 2.787 123.195 120.400 0.014 0.000 2.123 381 K HA 0.538 4.862 4.320 0.007 0.000 0.248 381 K C 0.787 177.369 176.600 -0.030 0.000 0.969 381 K CA -0.708 55.580 56.287 0.003 0.000 0.882 381 K CB 1.533 34.037 32.500 0.006 0.000 1.080 381 K HN 0.321 nan 8.250 nan 0.000 0.441 382 Q N 1.164 120.889 119.800 -0.126 0.000 2.197 382 Q HA -0.228 4.117 4.340 0.007 0.000 0.207 382 Q C 1.047 177.066 176.000 0.031 0.000 0.984 382 Q CA 2.437 58.093 55.803 -0.246 0.000 0.869 382 Q CB -0.310 27.921 28.738 -0.845 0.000 0.906 382 Q HN 0.877 nan 8.270 nan 0.000 0.426 383 D N -1.020 119.388 120.400 0.013 0.000 2.340 383 D HA -0.082 4.563 4.640 0.007 0.000 0.220 383 D C -0.128 176.185 176.300 0.021 0.000 1.039 383 D CA -0.097 53.909 54.000 0.011 0.000 0.866 383 D CB -0.680 40.080 40.800 -0.067 0.000 0.913 383 D HN 0.162 nan 8.370 nan 0.000 0.523 384 N N 1.579 120.325 118.700 0.077 0.000 2.483 384 N HA -0.086 4.658 4.740 0.007 0.000 0.264 384 N C 1.459 177.055 175.510 0.144 0.000 1.197 384 N CA -0.281 52.814 53.050 0.074 0.000 0.927 384 N CB 0.737 39.257 38.487 0.054 0.000 1.065 384 N HN 0.018 nan 8.380 nan 0.000 0.461 385 I N 4.221 124.844 120.570 0.089 0.000 2.181 385 I HA -0.266 3.908 4.170 0.007 0.000 0.247 385 I C 1.756 177.957 176.117 0.141 0.000 1.081 385 I CA 1.513 62.876 61.300 0.104 0.000 1.340 385 I CB -0.169 37.869 38.000 0.063 0.000 1.036 385 I HN 0.415 nan 8.210 nan 0.000 0.417 386 V N 0.497 120.472 119.914 0.101 0.000 2.913 386 V HA -0.144 3.981 4.120 0.007 0.000 0.260 386 V C 2.210 178.332 176.094 0.048 0.000 1.098 386 V CA 1.184 63.527 62.300 0.071 0.000 1.121 386 V CB -0.003 31.847 31.823 0.045 0.000 0.714 386 V HN 0.336 nan 8.190 nan 0.000 0.487 387 V N -0.311 119.640 119.914 0.062 0.000 3.129 387 V HA -0.045 4.079 4.120 0.007 0.000 0.259 387 V C 1.959 177.922 176.094 -0.219 0.000 1.116 387 V CA 1.577 63.829 62.300 -0.081 0.000 1.127 387 V CB -0.755 31.001 31.823 -0.112 0.000 0.742 387 V HN 0.689 nan 8.190 nan 0.000 0.474 388 H N -0.435 118.670 119.070 0.057 0.000 2.373 388 H HA 0.249 4.809 4.556 0.007 0.000 0.290 388 H C 0.968 176.383 175.328 0.145 0.000 0.989 388 H CA -0.018 56.085 56.048 0.092 0.000 1.250 388 H CB 0.863 30.656 29.762 0.052 0.000 1.477 388 H HN 0.404 nan 8.280 nan 0.000 0.551 389 E N 2.487 122.824 120.200 0.229 0.000 2.316 389 E HA 0.024 4.378 4.350 0.007 0.000 0.275 389 E C -0.210 176.477 176.600 0.146 0.000 1.029 389 E CA -0.174 56.343 56.400 0.195 0.000 0.871 389 E CB 1.002 30.786 29.700 0.140 0.000 1.022 389 E HN 0.241 nan 8.360 nan 0.000 0.418 390 E N 2.712 122.995 120.200 0.137 0.000 2.376 390 E HA -0.040 4.315 4.350 0.007 0.000 0.266 390 E C 0.393 177.037 176.600 0.073 0.000 1.009 390 E CA 0.394 56.814 56.400 0.033 0.000 0.902 390 E CB 0.761 30.395 29.700 -0.110 0.000 0.972 390 E HN 0.726 nan 8.360 nan 0.000 0.439 391 T N 2.194 116.792 114.554 0.075 0.000 3.033 391 T HA -0.014 4.340 4.350 0.007 0.000 0.248 391 T C 1.030 175.835 174.700 0.175 0.000 1.040 391 T CA 0.144 62.294 62.100 0.083 0.000 1.133 391 T CB -0.285 68.599 68.868 0.026 0.000 0.895 391 T HN 0.696 nan 8.240 nan 0.000 0.465 392 F N 1.852 121.784 119.950 -0.030 0.000 3.090 392 F HA -0.137 4.394 4.527 0.007 0.000 0.282 392 F C 0.453 176.268 175.800 0.025 0.000 0.923 392 F CA 0.401 58.397 58.000 -0.006 0.000 0.977 392 F CB -1.045 37.968 39.000 0.022 0.000 0.954 392 F HN 0.712 nan 8.300 nan 0.000 0.695 393 G N -0.321 108.459 108.800 -0.034 0.000 2.600 393 G HA2 0.509 4.474 3.960 0.007 0.000 0.293 393 G HA3 0.509 4.474 3.960 0.007 0.000 0.293 393 G C -3.058 171.812 174.900 -0.050 0.000 1.408 393 G CA -0.505 44.567 45.100 -0.048 0.000 0.782 393 G HN -0.202 nan 8.290 nan 0.000 0.482 394 P HA 0.263 nan 4.420 nan 0.000 0.238 394 P C -0.684 176.779 177.300 0.271 0.000 1.714 394 P CA 0.118 63.354 63.100 0.227 0.000 0.908 394 P CB -0.347 31.623 31.700 0.449 0.000 1.893 395 I N 1.314 121.906 120.570 0.037 0.000 2.447 395 I HA 0.313 4.488 4.170 0.007 0.000 0.287 395 I C -0.475 175.634 176.117 -0.013 0.000 1.023 395 I CA -0.769 60.572 61.300 0.068 0.000 1.083 395 I CB 2.347 40.363 38.000 0.027 0.000 1.245 395 I HN -0.140 nan 8.210 nan 0.000 0.434 396 L N 10.120 131.377 121.223 0.056 0.000 2.471 396 L HA 0.678 5.022 4.340 0.007 0.000 0.263 396 L C -2.632 174.273 176.870 0.059 0.000 0.985 396 L CA -1.564 53.286 54.840 0.018 0.000 0.868 396 L CB 1.627 43.703 42.059 0.027 0.000 1.203 396 L HN 0.242 nan 8.230 nan 0.000 0.429 397 P HA 0.380 nan 4.420 nan 0.000 0.279 397 P C -0.876 176.399 177.300 -0.041 0.000 1.239 397 P CA -0.066 63.031 63.100 -0.005 0.000 0.789 397 P CB 1.436 33.112 31.700 -0.039 0.000 0.933 398 I N 2.254 122.832 120.570 0.013 0.000 2.418 398 I HA 0.298 4.472 4.170 0.007 0.000 0.287 398 I C -0.316 175.824 176.117 0.038 0.000 1.008 398 I CA -0.942 60.369 61.300 0.017 0.000 1.104 398 I CB 2.128 40.210 38.000 0.137 0.000 1.264 398 I HN -0.011 nan 8.210 nan 0.000 0.438 399 V N 6.189 126.082 119.914 -0.035 0.000 2.459 399 V HA 0.366 4.490 4.120 0.007 0.000 0.295 399 V C 0.104 176.293 176.094 0.159 0.000 1.029 399 V CA -1.001 61.336 62.300 0.061 0.000 0.874 399 V CB 1.786 33.653 31.823 0.073 0.000 0.985 399 V HN 0.605 nan 8.190 nan 0.000 0.438 400 K N 2.708 123.166 120.400 0.095 0.000 2.295 400 K HA 0.578 4.903 4.320 0.007 0.000 0.270 400 K C -0.411 176.248 176.600 0.099 0.000 1.011 400 K CA -0.190 56.113 56.287 0.028 0.000 0.953 400 K CB 1.370 33.773 32.500 -0.161 0.000 0.956 400 K HN 0.649 nan 8.250 nan 0.000 0.477 401 V N -1.433 118.463 119.914 -0.030 0.000 3.007 401 V HA 0.405 4.529 4.120 0.007 0.000 0.311 401 V C 0.371 176.229 176.094 -0.394 0.000 1.120 401 V CA -0.578 61.610 62.300 -0.187 0.000 0.980 401 V CB 1.959 33.662 31.823 -0.199 0.000 1.033 401 V HN 0.838 nan 8.190 nan 0.000 0.429 402 S N 0.509 115.966 115.700 -0.404 0.000 2.505 402 S HA 0.424 4.898 4.470 0.007 0.000 0.216 402 S C 0.679 175.071 174.600 -0.347 0.000 1.018 402 S CA 0.443 58.396 58.200 -0.412 0.000 0.911 402 S CB -0.211 62.857 63.200 -0.221 0.000 0.818 402 S HN 2.055 nan 8.310 nan 0.000 0.497 403 S N -0.524 115.021 115.700 -0.258 0.000 2.587 403 S HA 0.539 5.014 4.470 0.007 0.000 0.269 403 S C 0.326 174.872 174.600 -0.091 0.000 1.154 403 S CA -0.555 57.602 58.200 -0.072 0.000 0.824 403 S CB 0.949 64.106 63.200 -0.072 0.000 1.118 403 S HN -0.029 nan 8.310 nan 0.000 0.462 404 M N 1.566 121.149 119.600 -0.028 0.000 2.073 404 M HA -0.024 4.460 4.480 0.007 0.000 0.258 404 M C 1.649 177.882 176.300 -0.113 0.000 1.070 404 M CA 2.253 57.518 55.300 -0.057 0.000 1.103 404 M CB -1.442 31.139 32.600 -0.033 0.000 1.321 404 M HN 0.885 nan 8.290 nan 0.000 0.405 405 E N -0.366 119.770 120.200 -0.106 0.000 2.070 405 E HA -0.287 4.067 4.350 0.007 0.000 0.197 405 E C 2.068 178.558 176.600 -0.183 0.000 1.004 405 E CA 1.978 58.307 56.400 -0.117 0.000 0.805 405 E CB -0.555 29.092 29.700 -0.089 0.000 0.744 405 E HN 0.721 nan 8.360 nan 0.000 0.451 406 Q N -0.050 119.588 119.800 -0.269 0.000 2.119 406 Q HA -0.124 4.221 4.340 0.007 0.000 0.201 406 Q C 2.129 177.739 176.000 -0.650 0.000 0.972 406 Q CA 1.352 56.862 55.803 -0.488 0.000 0.847 406 Q CB -0.150 28.227 28.738 -0.601 0.000 0.903 406 Q HN 0.319 nan 8.270 nan 0.000 0.433 407 A N 1.144 123.681 122.820 -0.473 0.000 1.902 407 A HA -0.174 4.151 4.320 0.007 0.000 0.217 407 A C 1.972 179.358 177.584 -0.329 0.000 1.181 407 A CA 1.232 53.009 52.037 -0.434 0.000 0.623 407 A CB -0.585 18.270 19.000 -0.240 0.000 0.818 407 A HN 0.452 nan 8.150 nan 0.000 0.443 408 I N -0.063 120.380 120.570 -0.211 0.000 2.142 408 I HA -0.248 3.926 4.170 0.007 0.000 0.240 408 I C 2.388 178.448 176.117 -0.095 0.000 1.078 408 I CA 1.780 63.000 61.300 -0.133 0.000 1.343 408 I CB -1.588 36.354 38.000 -0.096 0.000 1.046 408 I HN 0.483 nan 8.210 nan 0.000 0.405 409 E N 0.441 120.591 120.200 -0.083 0.000 2.070 409 E HA -0.242 4.112 4.350 0.007 0.000 0.197 409 E C 2.228 178.911 176.600 0.138 0.000 1.004 409 E CA 1.476 57.892 56.400 0.026 0.000 0.805 409 E CB -0.186 29.540 29.700 0.044 0.000 0.744 409 E HN 0.287 nan 8.360 nan 0.000 0.451 410 F N 0.482 120.283 119.950 -0.248 0.000 2.146 410 F HA -0.168 4.363 4.527 0.007 0.000 0.298 410 F C 2.493 178.100 175.800 -0.321 0.000 1.096 410 F CA 0.235 58.035 58.000 -0.334 0.000 1.275 410 F CB -1.059 37.523 39.000 -0.696 0.000 1.008 410 F HN 0.141 nan 8.300 nan 0.000 0.480 411 C N 0.362 119.548 119.300 -0.189 0.000 2.429 411 C HA -0.189 4.276 4.460 0.007 0.000 0.277 411 C C 2.511 177.503 174.990 0.003 0.000 1.262 411 C CA 1.166 60.143 59.018 -0.070 0.000 1.733 411 C CB -1.158 26.530 27.740 -0.087 0.000 2.010 411 C HN 0.432 nan 8.230 nan 0.000 0.483 412 N N 0.679 119.380 118.700 0.001 0.000 2.396 412 N HA -0.051 4.693 4.740 0.007 0.000 0.180 412 N C 0.502 176.045 175.510 0.055 0.000 1.028 412 N CA 0.817 53.884 53.050 0.029 0.000 0.893 412 N CB -0.572 37.931 38.487 0.026 0.000 0.967 412 N HN 0.515 nan 8.380 nan 0.000 0.440 413 D N 0.778 121.216 120.400 0.064 0.000 2.598 413 D HA 0.077 4.722 4.640 0.007 0.000 0.231 413 D C -0.729 175.625 176.300 0.089 0.000 1.127 413 D CA 0.212 54.266 54.000 0.089 0.000 1.126 413 D CB -0.356 40.503 40.800 0.098 0.000 1.124 413 D HN -0.041 nan 8.370 nan 0.000 0.485 414 S N 1.470 117.225 115.700 0.092 0.000 2.552 414 S HA 0.298 4.772 4.470 0.007 0.000 0.272 414 S C 0.512 175.140 174.600 0.048 0.000 1.150 414 S CA -0.837 57.421 58.200 0.096 0.000 0.849 414 S CB 0.508 63.772 63.200 0.107 0.000 1.113 414 S HN 0.272 nan 8.310 nan 0.000 0.458 415 I N 0.423 120.968 120.570 -0.043 0.000 3.728 415 I HA 0.454 4.628 4.170 0.007 0.000 0.307 415 I C -0.373 175.568 176.117 -0.294 0.000 1.276 415 I CA -0.118 61.056 61.300 -0.209 0.000 1.285 415 I CB -0.188 37.612 38.000 -0.334 0.000 1.038 415 I HN 0.447 nan 8.210 nan 0.000 0.445 416 Y N 1.104 121.435 120.300 0.052 0.000 2.568 416 Y HA 0.740 5.295 4.550 0.007 0.000 0.327 416 Y C 0.958 176.881 175.900 0.039 0.000 1.163 416 Y CA -0.747 57.378 58.100 0.043 0.000 1.219 416 Y CB 1.841 40.321 38.460 0.033 0.000 1.308 416 Y HN -0.074 nan 8.280 nan 0.000 0.503 417 G N 0.857 109.779 108.800 0.203 0.000 5.114 417 G HA2 0.201 4.165 3.960 0.007 0.000 0.209 417 G HA3 0.201 4.165 3.960 0.007 0.000 0.209 417 G C -0.524 174.344 174.900 -0.054 0.000 1.021 417 G CA -0.174 44.966 45.100 0.067 0.000 0.608 417 G HN 0.527 nan 8.290 nan 0.000 0.360 418 L N 0.034 121.225 121.223 -0.054 0.000 2.185 418 L HA 0.609 4.954 4.340 0.007 0.000 0.198 418 L C 0.767 177.530 176.870 -0.179 0.000 1.079 418 L CA 1.315 56.074 54.840 -0.135 0.000 0.780 418 L CB 0.329 42.334 42.059 -0.090 0.000 0.955 418 L HN 0.138 nan 8.230 nan 0.000 0.462 419 S N -1.241 114.384 115.700 -0.126 0.000 2.588 419 S HA 0.882 5.356 4.470 0.007 0.000 0.275 419 S C -1.155 173.315 174.600 -0.216 0.000 1.130 419 S CA -0.223 57.877 58.200 -0.166 0.000 0.855 419 S CB 1.952 65.055 63.200 -0.162 0.000 1.116 419 S HN 0.445 nan 8.310 nan 0.000 0.472 420 A N 1.325 123.949 122.820 -0.327 0.000 2.517 420 A HA 0.755 5.079 4.320 0.007 0.000 0.297 420 A C -2.232 175.158 177.584 -0.323 0.000 1.050 420 A CA -0.643 51.256 52.037 -0.231 0.000 0.694 420 A CB 0.878 19.804 19.000 -0.123 0.000 1.277 420 A HN 0.696 nan 8.150 nan 0.000 0.400 421 Y N 0.802 121.138 120.300 0.060 0.000 2.341 421 Y HA 0.569 5.123 4.550 0.007 0.000 0.338 421 Y C -0.097 175.823 175.900 0.034 0.000 0.965 421 Y CA -0.912 57.219 58.100 0.052 0.000 1.108 421 Y CB 2.301 40.764 38.460 0.005 0.000 1.180 421 Y HN 0.393 nan 8.280 nan 0.000 0.458 422 V N 3.808 123.793 119.914 0.118 0.000 2.407 422 V HA 0.262 4.387 4.120 0.007 0.000 0.291 422 V C -0.579 175.513 176.094 -0.003 0.000 1.018 422 V CA -0.839 61.499 62.300 0.063 0.000 0.842 422 V CB 1.001 32.834 31.823 0.016 0.000 0.996 422 V HN 0.725 nan 8.190 nan 0.000 0.426 423 H N 3.094 122.207 119.070 0.071 0.000 2.597 423 H HA 0.649 5.210 4.556 0.007 0.000 0.303 423 H C -0.101 175.250 175.328 0.037 0.000 1.057 423 H CA 0.258 56.342 56.048 0.059 0.000 1.261 423 H CB 1.770 31.563 29.762 0.052 0.000 1.397 423 H HN 0.716 nan 8.280 nan 0.000 0.461 424 T N 2.339 116.970 114.554 0.129 0.000 2.886 424 T HA 0.111 4.465 4.350 0.007 0.000 0.330 424 T C 0.168 174.915 174.700 0.079 0.000 1.488 424 T CA -0.532 61.619 62.100 0.085 0.000 1.054 424 T CB 1.568 70.465 68.868 0.048 0.000 1.348 424 T HN 0.615 nan 8.240 nan 0.000 0.489 425 Q N 0.854 120.696 119.800 0.068 0.000 2.352 425 Q HA 0.193 4.538 4.340 0.007 0.000 0.212 425 Q C 0.648 176.696 176.000 0.079 0.000 0.888 425 Q CA -0.073 55.773 55.803 0.071 0.000 0.934 425 Q CB 0.835 29.609 28.738 0.061 0.000 1.093 425 Q HN 0.569 nan 8.270 nan 0.000 0.523 426 S N 0.398 116.139 115.700 0.067 0.000 2.488 426 S HA 0.054 4.528 4.470 0.007 0.000 0.278 426 S C 0.669 175.339 174.600 0.117 0.000 1.259 426 S CA -0.441 57.808 58.200 0.082 0.000 1.061 426 S CB 0.143 63.368 63.200 0.041 0.000 0.910 426 S HN 0.345 nan 8.310 nan 0.000 0.491 427 F N 5.305 125.255 119.950 0.000 0.000 2.126 427 F HA -0.075 4.456 4.527 0.007 0.000 0.299 427 F C 2.212 178.010 175.800 -0.004 0.000 1.096 427 F CA 1.719 59.719 58.000 -0.001 0.000 1.255 427 F CB -0.469 38.531 39.000 -0.000 0.000 0.997 427 F HN 0.766 nan 8.300 nan 0.000 0.479 428 A N 0.409 123.197 122.820 -0.054 0.000 1.933 428 A HA -0.219 4.106 4.320 0.007 0.000 0.218 428 A C 1.853 179.349 177.584 -0.147 0.000 1.175 428 A CA 2.003 53.952 52.037 -0.148 0.000 0.628 428 A CB -0.805 18.178 19.000 -0.028 0.000 0.814 428 A HN 0.513 nan 8.150 nan 0.000 0.444 429 N N -0.176 118.474 118.700 -0.083 0.000 2.250 429 N HA 0.020 4.765 4.740 0.007 0.000 0.181 429 N C 1.543 177.000 175.510 -0.089 0.000 1.017 429 N CA 1.067 54.077 53.050 -0.067 0.000 0.866 429 N CB -0.392 38.080 38.487 -0.026 0.000 0.985 429 N HN 0.538 nan 8.380 nan 0.000 0.429 430 I N 1.227 121.737 120.570 -0.099 0.000 2.142 430 I HA -0.270 3.904 4.170 0.007 0.000 0.240 430 I C 1.677 177.699 176.117 -0.159 0.000 1.078 430 I CA 0.946 62.186 61.300 -0.099 0.000 1.343 430 I CB -0.236 37.736 38.000 -0.045 0.000 1.046 430 I HN 0.092 nan 8.210 nan 0.000 0.405 431 N N 0.509 119.038 118.700 -0.284 0.000 2.094 431 N HA -0.279 4.465 4.740 0.007 0.000 0.191 431 N C 1.771 177.180 175.510 -0.169 0.000 1.023 431 N CA 1.402 54.285 53.050 -0.278 0.000 0.857 431 N CB -0.468 37.760 38.487 -0.431 0.000 1.013 431 N HN 0.473 nan 8.380 nan 0.000 0.426 432 Q N 0.377 120.088 119.800 -0.148 0.000 2.050 432 Q HA -0.058 4.287 4.340 0.007 0.000 0.202 432 Q C 1.927 177.874 176.000 -0.088 0.000 0.980 432 Q CA 1.698 57.440 55.803 -0.102 0.000 0.840 432 Q CB -0.114 28.571 28.738 -0.088 0.000 0.898 432 Q HN 0.361 nan 8.270 nan 0.000 0.424 433 A N 0.930 123.696 122.820 -0.090 0.000 1.865 433 A HA -0.202 4.122 4.320 0.007 0.000 0.217 433 A C 2.029 179.556 177.584 -0.095 0.000 1.191 433 A CA 1.643 53.630 52.037 -0.085 0.000 0.623 433 A CB -0.830 18.126 19.000 -0.073 0.000 0.826 433 A HN 0.514 nan 8.150 nan 0.000 0.444 434 I N -0.727 119.785 120.570 -0.096 0.000 2.226 434 I HA -0.226 3.948 4.170 0.007 0.000 0.245 434 I C 2.867 178.940 176.117 -0.072 0.000 1.100 434 I CA 1.584 62.828 61.300 -0.093 0.000 1.374 434 I CB -0.309 37.640 38.000 -0.084 0.000 1.057 434 I HN 0.447 nan 8.210 nan 0.000 0.413 435 S N 0.495 116.156 115.700 -0.064 0.000 2.355 435 S HA -0.185 4.289 4.470 0.007 0.000 0.222 435 S C 1.592 176.180 174.600 -0.020 0.000 1.031 435 S CA 1.849 60.028 58.200 -0.036 0.000 0.993 435 S CB -0.106 63.067 63.200 -0.045 0.000 0.859 435 S HN 0.376 nan 8.310 nan 0.000 0.453 436 D N 0.384 120.760 120.400 -0.040 0.000 2.366 436 D HA 0.243 4.887 4.640 0.007 0.000 0.205 436 D C 0.109 176.386 176.300 -0.038 0.000 1.022 436 D CA 0.030 54.014 54.000 -0.027 0.000 0.868 436 D CB -0.067 40.711 40.800 -0.037 0.000 0.953 436 D HN 0.357 nan 8.370 nan 0.000 0.514 437 L N 1.751 122.923 121.223 -0.086 0.000 2.418 437 L HA 0.090 4.435 4.340 0.007 0.000 0.274 437 L C 0.629 177.376 176.870 -0.205 0.000 1.135 437 L CA 0.192 54.954 54.840 -0.131 0.000 0.870 437 L CB 0.565 42.526 42.059 -0.163 0.000 1.154 437 L HN -0.217 nan 8.230 nan 0.000 0.462 438 E N 3.352 123.472 120.200 -0.132 0.000 2.452 438 E HA 0.126 4.480 4.350 0.007 0.000 0.293 438 E C -0.575 175.777 176.600 -0.413 0.000 1.535 438 E CA -0.244 56.107 56.400 -0.082 0.000 1.816 438 E CB 0.150 29.959 29.700 0.182 0.000 1.494 438 E HN 0.430 nan 8.360 nan 0.000 0.464 439 V N -3.692 115.670 119.914 -0.919 0.000 3.001 439 V HA 0.650 4.775 4.120 0.007 0.000 0.314 439 V C 1.074 176.213 176.094 -1.592 0.000 1.099 439 V CA -0.821 60.896 62.300 -0.971 0.000 0.989 439 V CB 1.647 33.185 31.823 -0.476 0.000 1.040 439 V HN 0.152 nan 8.190 nan 0.000 0.434 440 G N 0.459 108.497 108.800 -1.270 0.000 2.744 440 G HA2 0.180 4.144 3.960 0.007 0.000 0.211 440 G HA3 0.180 4.144 3.960 0.007 0.000 0.211 440 G C 0.362 175.011 174.900 -0.420 0.000 1.143 440 G CA 0.263 44.886 45.100 -0.795 0.000 0.788 440 G HN 0.793 nan 8.290 nan 0.000 0.534 441 E N -0.094 119.865 120.200 -0.402 0.000 2.302 441 E HA 0.381 4.736 4.350 0.007 0.000 0.263 441 E C -1.399 175.000 176.600 -0.336 0.000 0.897 441 E CA -0.449 55.758 56.400 -0.322 0.000 0.809 441 E CB 2.663 32.268 29.700 -0.158 0.000 1.270 441 E HN -0.072 nan 8.360 nan 0.000 0.410 442 V N 4.196 123.889 119.914 -0.370 0.000 2.370 442 V HA 0.318 4.442 4.120 0.007 0.000 0.279 442 V C -0.827 175.070 176.094 -0.330 0.000 1.029 442 V CA -0.540 61.594 62.300 -0.277 0.000 0.870 442 V CB 0.260 31.954 31.823 -0.215 0.000 0.984 442 V HN 0.562 nan 8.190 nan 0.000 0.451 443 Y N 4.741 124.901 120.300 -0.234 0.000 2.341 443 Y HA 0.588 5.142 4.550 0.007 0.000 0.337 443 Y C 0.178 176.032 175.900 -0.076 0.000 1.014 443 Y CA -0.974 57.054 58.100 -0.119 0.000 1.111 443 Y CB 1.568 39.996 38.460 -0.053 0.000 1.194 443 Y HN 0.364 nan 8.280 nan 0.000 0.462 444 I N 4.151 124.754 120.570 0.055 0.000 2.355 444 I HA 0.180 4.355 4.170 0.007 0.000 0.288 444 I C -0.344 175.736 176.117 -0.062 0.000 0.999 444 I CA -0.834 60.457 61.300 -0.014 0.000 1.163 444 I CB 1.153 39.142 38.000 -0.018 0.000 1.316 444 I HN 0.790 nan 8.210 nan 0.000 0.454 445 N N 4.789 123.337 118.700 -0.252 0.000 2.754 445 N HA -0.246 4.498 4.740 0.007 0.000 0.248 445 N C -0.246 175.089 175.510 -0.290 0.000 1.093 445 N CA 0.816 53.592 53.050 -0.458 0.000 0.699 445 N CB -0.781 37.654 38.487 -0.088 0.000 1.016 445 N HN 0.856 nan 8.380 nan 0.000 0.552 446 R N -3.206 117.156 120.500 -0.230 0.000 2.752 446 R HA 0.825 5.169 4.340 0.007 0.000 0.277 446 R C 0.309 176.694 176.300 0.142 0.000 1.024 446 R CA -0.503 55.647 56.100 0.083 0.000 0.866 446 R CB 0.116 30.495 30.300 0.130 0.000 1.278 446 R HN -0.016 nan 8.270 nan 0.000 0.473 447 G N -0.182 108.679 108.800 0.101 0.000 3.135 447 G HA2 0.450 4.414 3.960 0.007 0.000 0.159 447 G HA3 0.450 4.414 3.960 0.007 0.000 0.159 447 G C -0.555 174.243 174.900 -0.170 0.000 1.244 447 G CA -1.248 43.770 45.100 -0.136 0.000 0.965 447 G HN 0.445 nan 8.290 nan 0.000 0.599 448 M N 0.924 120.347 119.600 -0.296 0.000 2.245 448 M HA 0.359 4.844 4.480 0.007 0.000 0.335 448 M C 0.548 176.827 176.300 -0.036 0.000 1.155 448 M CA 1.615 56.824 55.300 -0.151 0.000 1.055 448 M CB 0.095 32.636 32.600 -0.097 0.000 1.670 448 M HN 0.976 nan 8.290 nan 0.000 0.447 449 G N 3.756 112.558 108.800 0.004 0.000 2.693 449 G HA2 0.032 3.997 3.960 0.007 0.000 0.290 449 G HA3 0.032 3.997 3.960 0.007 0.000 0.290 449 G C -1.057 173.937 174.900 0.158 0.000 1.378 449 G CA -0.878 44.248 45.100 0.043 0.000 1.120 449 G HN 0.758 nan 8.290 nan 0.000 0.609 450 E N 2.030 122.296 120.200 0.111 0.000 2.232 450 E HA 0.679 5.034 4.350 0.007 0.000 0.264 450 E C -0.552 176.047 176.600 -0.002 0.000 0.973 450 E CA -0.770 55.715 56.400 0.141 0.000 0.849 450 E CB 1.961 31.764 29.700 0.172 0.000 1.198 450 E HN 0.526 nan 8.360 nan 0.000 0.407 451 Q N -0.098 119.695 119.800 -0.011 0.000 2.348 451 Q HA 0.264 4.609 4.340 0.007 0.000 0.271 451 Q C 0.371 176.317 176.000 -0.090 0.000 1.067 451 Q CA -1.013 54.708 55.803 -0.137 0.000 0.839 451 Q CB 1.476 30.143 28.738 -0.118 0.000 1.354 451 Q HN 0.540 nan 8.270 nan 0.000 0.447 452 H N 0.966 119.848 119.070 -0.312 0.000 2.489 452 H HA -0.124 4.437 4.556 0.007 0.000 0.293 452 H C 1.423 176.281 175.328 -0.783 0.000 1.066 452 H CA 1.180 56.931 56.048 -0.495 0.000 1.305 452 H CB 0.316 29.708 29.762 -0.617 0.000 1.386 452 H HN 0.543 nan 8.280 nan 0.000 0.551 453 Q N 0.344 119.918 119.800 -0.378 0.000 2.247 453 Q HA 0.178 4.522 4.340 0.007 0.000 0.204 453 Q C 0.942 176.952 176.000 0.017 0.000 0.872 453 Q CA 0.215 55.897 55.803 -0.202 0.000 0.951 453 Q CB 0.377 29.135 28.738 0.033 0.000 1.099 453 Q HN 0.247 nan 8.270 nan 0.000 0.501 454 G N 1.050 109.878 108.800 0.047 0.000 2.509 454 G HA2 0.406 4.371 3.960 0.007 0.000 0.269 454 G HA3 0.406 4.371 3.960 0.007 0.000 0.269 454 G C -1.365 173.728 174.900 0.322 0.000 1.416 454 G CA -0.500 44.692 45.100 0.153 0.000 1.052 454 G HN 0.214 nan 8.290 nan 0.000 0.542 455 F N -0.023 120.013 119.950 0.143 0.000 2.659 455 F HA 0.399 4.930 4.527 0.007 0.000 0.342 455 F C -0.737 175.171 175.800 0.180 0.000 1.168 455 F CA -1.517 56.598 58.000 0.191 0.000 1.003 455 F CB 1.345 40.478 39.000 0.222 0.000 1.267 455 F HN 0.446 nan 8.300 nan 0.000 0.463 456 H N 4.616 123.672 119.070 -0.022 0.000 3.014 456 H HA 0.291 4.852 4.556 0.007 0.000 0.266 456 H C -0.757 174.365 175.328 -0.343 0.000 1.455 456 H CA 0.183 56.163 56.048 -0.112 0.000 1.402 456 H CB -0.037 29.746 29.762 0.035 0.000 1.626 456 H HN 0.489 nan 8.280 nan 0.000 0.520 457 N N 2.975 121.310 118.700 -0.608 0.000 2.573 457 N HA 0.256 5.001 4.740 0.007 0.000 0.262 457 N C -0.509 174.825 175.510 -0.293 0.000 1.029 457 N CA -0.478 52.191 53.050 -0.636 0.000 0.882 457 N CB 1.009 38.905 38.487 -0.986 0.000 1.204 457 N HN 0.609 nan 8.380 nan 0.000 0.519 458 G N 2.113 110.791 108.800 -0.204 0.000 2.349 458 G HA2 0.246 4.210 3.960 0.007 0.000 0.281 458 G HA3 0.246 4.210 3.960 0.007 0.000 0.281 458 G C -0.322 174.680 174.900 0.169 0.000 1.182 458 G CA -0.378 44.693 45.100 -0.047 0.000 0.899 458 G HN 0.400 nan 8.290 nan 0.000 0.455 459 W N 1.715 122.959 121.300 -0.094 0.000 2.086 459 W HA 0.463 5.128 4.660 0.008 0.000 0.355 459 W C 1.200 177.711 176.519 -0.012 0.000 1.313 459 W CA -1.113 56.198 57.345 -0.057 0.000 1.358 459 W CB 0.317 29.744 29.460 -0.055 0.000 1.166 459 W HN 0.803 nan 8.180 nan 0.000 0.630 460 K N -0.469 120.055 120.400 0.208 0.000 1.791 460 K HA -0.320 4.005 4.320 0.007 0.000 0.140 460 K C 1.052 177.698 176.600 0.076 0.000 1.312 460 K CA 1.805 58.155 56.287 0.105 0.000 0.382 460 K CB -1.181 31.378 32.500 0.099 0.000 0.635 460 K HN 0.380 nan 8.250 nan 0.000 0.838 461 Q N 0.654 120.468 119.800 0.023 0.000 2.444 461 Q HA 0.096 4.440 4.340 0.007 0.000 0.206 461 Q C 1.351 177.456 176.000 0.176 0.000 0.948 461 Q CA 0.863 56.673 55.803 0.011 0.000 0.946 461 Q CB 0.517 29.132 28.738 -0.205 0.000 1.027 461 Q HN 0.386 nan 8.270 nan 0.000 0.513 462 S N -0.151 115.684 115.700 0.226 0.000 2.561 462 S HA 0.236 4.710 4.470 0.007 0.000 0.225 462 S C 0.961 175.638 174.600 0.128 0.000 0.977 462 S CA 0.514 58.842 58.200 0.213 0.000 0.926 462 S CB 0.387 63.681 63.200 0.156 0.000 0.769 462 S HN 0.574 nan 8.310 nan 0.000 0.533 463 G N 0.436 109.322 108.800 0.144 0.000 2.339 463 G HA2 0.347 4.312 3.960 0.007 0.000 0.275 463 G HA3 0.347 4.312 3.960 0.007 0.000 0.275 463 G C -2.130 172.919 174.900 0.247 0.000 1.323 463 G CA -0.942 44.257 45.100 0.166 0.000 0.927 463 G HN 0.151 nan 8.290 nan 0.000 0.486 464 F N -0.001 119.988 119.950 0.066 0.000 2.615 464 F HA 0.573 5.104 4.527 0.007 0.000 0.312 464 F C 0.973 176.816 175.800 0.071 0.000 1.119 464 F CA 1.232 59.285 58.000 0.087 0.000 0.979 464 F CB 1.759 40.863 39.000 0.173 0.000 1.266 464 F HN 2.133 nan 8.300 nan 0.000 0.444 465 G N 2.618 111.135 108.800 -0.472 0.000 2.900 465 G HA2 0.225 4.189 3.960 0.007 0.000 0.223 465 G HA3 0.225 4.189 3.960 0.007 0.000 0.223 465 G C 0.954 175.880 174.900 0.043 0.000 1.293 465 G CA 0.530 45.521 45.100 -0.182 0.000 0.792 465 G HN 2.467 nan 8.290 nan 0.000 0.527 466 G N -0.385 108.420 108.800 0.009 0.000 2.692 466 G HA2 0.391 4.356 3.960 0.007 0.000 0.686 466 G HA3 0.391 4.356 3.960 0.007 0.000 0.686 466 G C -0.703 174.345 174.900 0.246 0.000 1.243 466 G CA 0.926 45.961 45.100 -0.108 0.000 0.782 466 G HN 1.482 nan 8.290 nan 0.000 0.625 467 E N 0.515 120.843 120.200 0.214 0.000 2.369 467 E HA 0.591 4.945 4.350 0.007 0.000 0.270 467 E C -0.486 176.379 176.600 0.441 0.000 0.909 467 E CA -0.239 56.364 56.400 0.337 0.000 0.775 467 E CB 1.470 31.309 29.700 0.232 0.000 1.270 467 E HN 0.807 nan 8.360 nan 0.000 0.445 468 D N 0.211 120.844 120.400 0.389 0.000 10.757 468 D HA -0.048 4.596 4.640 0.007 0.000 0.352 468 D C 0.246 176.765 176.300 0.365 0.000 3.129 468 D CA 1.694 55.896 54.000 0.338 0.000 2.630 468 D CB -0.895 40.084 40.800 0.297 0.000 1.214 468 D HN 0.962 nan 8.370 nan 0.000 0.943 469 G N 0.222 109.147 108.800 0.209 0.000 2.645 469 G HA2 -0.355 3.609 3.960 0.007 0.000 0.239 469 G HA3 -0.355 3.609 3.960 0.007 0.000 0.239 469 G C 0.840 175.901 174.900 0.267 0.000 1.331 469 G CA 1.035 46.272 45.100 0.228 0.000 0.890 469 G HN 0.820 nan 8.290 nan 0.000 0.572 470 K N -0.686 119.753 120.400 0.065 0.000 2.032 470 K HA 0.006 4.331 4.320 0.007 0.000 0.209 470 K C 2.457 178.903 176.600 -0.256 0.000 1.048 470 K CA 2.393 58.572 56.287 -0.180 0.000 0.927 470 K CB -0.269 31.939 32.500 -0.487 0.000 0.712 470 K HN 0.453 nan 8.250 nan 0.000 0.441 471 F N 0.068 119.878 119.950 -0.233 0.000 2.325 471 F HA -0.000 4.531 4.527 0.007 0.000 0.299 471 F C 2.372 178.068 175.800 -0.174 0.000 1.090 471 F CA 0.799 58.529 58.000 -0.451 0.000 1.392 471 F CB -0.343 37.877 39.000 -1.300 0.000 1.053 471 F HN 0.226 nan 8.300 nan 0.000 0.521 472 G N 0.012 108.950 108.800 0.230 0.000 2.394 472 G HA2 -0.169 3.795 3.960 0.007 0.000 0.215 472 G HA3 -0.169 3.795 3.960 0.007 0.000 0.215 472 G C 1.671 176.789 174.900 0.365 0.000 1.165 472 G CA 0.310 45.639 45.100 0.381 0.000 0.784 472 G HN 0.295 nan 8.290 nan 0.000 0.535 473 L N 0.027 121.443 121.223 0.322 0.000 2.083 473 L HA -0.021 4.323 4.340 0.007 0.000 0.209 473 L C 2.829 179.867 176.870 0.281 0.000 1.083 473 L CA 1.261 56.304 54.840 0.339 0.000 0.752 473 L CB -0.090 42.087 42.059 0.197 0.000 0.899 473 L HN 0.218 nan 8.230 nan 0.000 0.433 474 E N 0.083 120.375 120.200 0.154 0.000 2.118 474 E HA -0.289 4.066 4.350 0.007 0.000 0.195 474 E C 2.096 178.759 176.600 0.104 0.000 0.992 474 E CA 1.468 57.928 56.400 0.100 0.000 0.804 474 E CB -0.053 29.678 29.700 0.051 0.000 0.741 474 E HN 0.484 nan 8.360 nan 0.000 0.458 475 Q N -1.383 118.466 119.800 0.083 0.000 2.291 475 Q HA -0.156 4.188 4.340 0.007 0.000 0.206 475 Q C 1.216 177.151 176.000 -0.108 0.000 0.976 475 Q CA 1.096 56.877 55.803 -0.037 0.000 0.875 475 Q CB -0.121 28.553 28.738 -0.106 0.000 0.927 475 Q HN 0.469 nan 8.270 nan 0.000 0.450 476 Y N -0.323 120.027 120.300 0.083 0.000 2.546 476 Y HA 0.081 4.635 4.550 0.007 0.000 0.287 476 Y C 0.254 176.194 175.900 0.066 0.000 1.158 476 Y CA 0.214 58.360 58.100 0.077 0.000 1.307 476 Y CB 0.428 38.937 38.460 0.083 0.000 1.036 476 Y HN -0.013 nan 8.280 nan 0.000 0.532 477 L N 0.366 121.690 121.223 0.167 0.000 2.313 477 L HA 0.368 4.712 4.340 0.007 0.000 0.283 477 L C -0.180 176.740 176.870 0.084 0.000 1.013 477 L CA -0.942 53.969 54.840 0.119 0.000 0.816 477 L CB 1.559 43.677 42.059 0.099 0.000 1.236 477 L HN -0.171 nan 8.230 nan 0.000 0.419 478 E N 2.555 122.801 120.200 0.077 0.000 2.343 478 E HA 0.334 4.688 4.350 0.007 0.000 0.269 478 E C -0.986 175.654 176.600 0.066 0.000 1.047 478 E CA -0.361 56.078 56.400 0.064 0.000 0.874 478 E CB 0.927 30.663 29.700 0.059 0.000 1.033 478 E HN 0.206 nan 8.360 nan 0.000 0.409 479 K N 1.994 122.433 120.400 0.064 0.000 2.095 479 K HA 0.466 4.790 4.320 0.007 0.000 0.252 479 K C -0.724 175.925 176.600 0.082 0.000 0.977 479 K CA -0.564 55.766 56.287 0.071 0.000 0.900 479 K CB 1.263 33.798 32.500 0.059 0.000 1.060 479 K HN 0.305 nan 8.250 nan 0.000 0.449 480 K N 0.974 121.439 120.400 0.110 0.000 2.565 480 K HA 0.323 4.647 4.320 0.007 0.000 0.249 480 K C -1.280 175.419 176.600 0.165 0.000 0.958 480 K CA -0.349 56.010 56.287 0.121 0.000 0.806 480 K CB 1.400 33.958 32.500 0.097 0.000 1.194 480 K HN 0.609 nan 8.250 nan 0.000 0.434 481 T N 2.709 117.346 114.554 0.137 0.000 2.806 481 T HA 0.349 4.703 4.350 0.007 0.000 0.290 481 T C -0.596 174.209 174.700 0.174 0.000 0.966 481 T CA -0.497 61.676 62.100 0.122 0.000 1.060 481 T CB 1.210 70.140 68.868 0.104 0.000 0.927 481 T HN 0.256 nan 8.240 nan 0.000 0.485 482 V N 3.981 123.992 119.914 0.162 0.000 2.483 482 V HA 0.369 4.494 4.120 0.007 0.000 0.297 482 V C -1.284 174.910 176.094 0.165 0.000 1.027 482 V CA -1.055 61.380 62.300 0.224 0.000 0.855 482 V CB 1.038 33.015 31.823 0.256 0.000 0.995 482 V HN 0.793 nan 8.190 nan 0.000 0.424 483 Y N 4.741 125.129 120.300 0.147 0.000 2.353 483 Y HA 0.606 5.161 4.550 0.007 0.000 0.340 483 Y C 0.274 176.251 175.900 0.128 0.000 0.972 483 Y CA -0.760 57.413 58.100 0.122 0.000 1.157 483 Y CB 1.321 39.822 38.460 0.068 0.000 1.157 483 Y HN 0.464 nan 8.280 nan 0.000 0.495 484 I N 3.911 124.646 120.570 0.274 0.000 2.354 484 I HA 0.185 4.360 4.170 0.007 0.000 0.286 484 I C -0.138 176.075 176.117 0.160 0.000 1.007 484 I CA -0.523 60.904 61.300 0.210 0.000 1.167 484 I CB 1.064 39.205 38.000 0.235 0.000 1.320 484 I HN 0.643 nan 8.210 nan 0.000 0.458 485 N N 6.091 124.864 118.700 0.122 0.000 2.411 485 N HA 0.087 4.831 4.740 0.007 0.000 0.259 485 N C 0.532 176.084 175.510 0.071 0.000 1.103 485 N CA -0.151 52.951 53.050 0.087 0.000 0.954 485 N CB 0.945 39.472 38.487 0.068 0.000 1.085 485 N HN 0.620 nan 8.380 nan 0.000 0.485 486 E N 2.081 122.320 120.200 0.065 0.000 2.400 486 E HA 0.056 4.411 4.350 0.007 0.000 0.195 486 E C 0.336 176.959 176.600 0.038 0.000 1.012 486 E CA -0.206 56.226 56.400 0.053 0.000 0.875 486 E CB 0.392 30.126 29.700 0.056 0.000 0.859 486 E HN 0.631 nan 8.360 nan 0.000 0.498 487 A N 2.097 124.938 122.820 0.035 0.000 2.540 487 A HA -0.048 4.276 4.320 0.007 0.000 0.239 487 A C 0.542 178.140 177.584 0.023 0.000 1.061 487 A CA 0.255 52.307 52.037 0.026 0.000 0.758 487 A CB 0.326 19.340 19.000 0.024 0.000 0.991 487 A HN 0.018 nan 8.150 nan 0.000 0.502 488 E N 0.000 120.211 120.200 0.018 0.000 2.725 488 E HA 0.000 4.354 4.350 0.007 0.000 0.291 488 E CA 0.000 56.409 56.400 0.015 0.000 0.976 488 E CB 0.000 29.708 29.700 0.013 0.000 0.812 488 E HN 0.000 nan 8.360 nan 0.000 0.440