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 2woh_1_B DATA FIRST_RESID 6 DATA SEQUENCE HMVPMDKTLK EFGADVQWDD YAQLFTLIKD GAYVKVKPGA QTAIVNGQPL DATA SEQUENCE ALQVPVVMKD NKAWVSDTFI NDVFQSGLDQ TFQVEKRPHP LNALTADEIK DATA SEQUENCE QAVEIVKASA DFKPNTRFTE ISLLPPDKEA VWAFALENKP VDQPRKADVI DATA SEQUENCE MLDGKHIIEA VVDLQNNKLL SWQPIKDAHG MVLLDDFASV QNIINNSEEF DATA SEQUENCE AAAVKKRGIT DAKKVITTPL TVGYFDGKDG LKQDARLLKV ISYLDVGDGN DATA SEQUENCE YWAHPIENLV AVVDLEQKKI VKIEEGPVVP VPMTARPFDG RDRVAPAVKP DATA SEQUENCE MQIIEPEGKN YTITGDMIHW RNWDFHLSMN SRVGPMISTV TYNDNGTKRK DATA SEQUENCE VMYEGSLGGM IVPYGDPDIG WYFKAYLDSG DYGMGTLTSP IARGKDAPSN DATA SEQUENCE AVLLNETIAD YTGVPMEIPR AIAVFERYAG PEYKHQEMGQ PNVSTERREL DATA SEQUENCE VVRWISTVGN XDYIFDWIFH ENGTIGIDAG ATGIEAVKGV KAKTMHDETA DATA SEQUENCE KDDTRYGTLI DHNIVGTTHQ HIYNFRLDLD VDGENNSLVA MDPVVKPNTA DATA SEQUENCE GGPRTSTMQV NQYNIGNEQD AAQKFDPGTI RLLSNPNKEN RMGNPVSYQI DATA SEQUENCE IPYAGGTHPV AKGAQFAPDE WIYHRLSFMD KQLWVTRYHP GERFPEGKYP DATA SEQUENCE NRSTHDTGLG QYSKDNESLD NTDAVVWMTT GTTHVARAEE WPIMPTEWVH DATA SEQUENCE TLLKPWNFFD ETPTLGALKK D 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 6 H HA 0.000 nan 4.556 nan 0.000 0.296 6 H C 0.000 175.352 175.328 0.039 0.000 0.993 6 H CA 0.000 56.054 56.048 0.010 0.000 1.023 6 H CB 0.000 29.771 29.762 0.015 0.000 1.292 7 M N 3.677 123.093 119.600 -0.305 0.000 2.719 7 M HA 0.543 5.023 4.480 0.001 0.000 0.291 7 M C -0.876 175.448 176.300 0.041 0.000 1.264 7 M CA -1.254 53.938 55.300 -0.180 0.000 0.811 7 M CB 2.610 35.215 32.600 0.009 0.000 1.756 7 M HN 0.391 nan 8.290 nan 0.000 0.464 8 V N 0.823 120.848 119.914 0.185 0.000 3.087 8 V HA 0.664 4.784 4.120 0.001 0.000 0.306 8 V C -2.770 173.194 176.094 -0.216 0.000 1.187 8 V CA -1.896 60.471 62.300 0.111 0.000 0.999 8 V CB 2.792 34.588 31.823 -0.045 0.000 1.049 8 V HN 0.656 nan 8.190 nan 0.000 0.431 9 P HA 0.119 nan 4.420 nan 0.000 0.264 9 P C 0.763 177.710 177.300 -0.589 0.000 1.229 9 P CA 0.207 62.666 63.100 -1.068 0.000 0.780 9 P CB 0.912 32.093 31.700 -0.865 0.000 0.808 10 M N 3.698 122.942 119.600 -0.593 0.000 2.163 10 M HA -0.260 4.221 4.480 0.001 0.000 0.258 10 M C 1.705 177.796 176.300 -0.348 0.000 1.071 10 M CA 2.097 57.116 55.300 -0.468 0.000 1.093 10 M CB -0.687 31.559 32.600 -0.590 0.000 1.285 10 M HN 0.253 nan 8.290 nan 0.000 0.420 11 D N 0.023 120.221 120.400 -0.335 0.000 2.116 11 D HA -0.253 4.387 4.640 0.001 0.000 0.193 11 D C 1.932 178.144 176.300 -0.146 0.000 0.998 11 D CA 1.973 55.855 54.000 -0.198 0.000 0.836 11 D CB -0.208 40.499 40.800 -0.154 0.000 0.951 11 D HN 0.475 nan 8.370 nan 0.000 0.449 12 K N -0.170 120.123 120.400 -0.179 0.000 2.057 12 K HA -0.104 4.216 4.320 0.001 0.000 0.206 12 K C 2.028 178.574 176.600 -0.090 0.000 1.050 12 K CA 1.610 57.823 56.287 -0.122 0.000 0.935 12 K CB -0.081 32.336 32.500 -0.138 0.000 0.715 12 K HN -0.008 nan 8.250 nan 0.000 0.439 13 T N 1.967 116.450 114.554 -0.119 0.000 2.746 13 T HA -0.115 4.236 4.350 0.001 0.000 0.267 13 T C 1.754 176.449 174.700 -0.008 0.000 1.039 13 T CA 1.407 63.466 62.100 -0.069 0.000 1.142 13 T CB -0.137 68.669 68.868 -0.104 0.000 0.866 13 T HN 0.177 nan 8.240 nan 0.000 0.444 14 L N -0.027 121.183 121.223 -0.022 0.000 2.201 14 L HA -0.050 4.290 4.340 0.001 0.000 0.212 14 L C 2.556 179.473 176.870 0.079 0.000 1.105 14 L CA 0.993 55.870 54.840 0.061 0.000 0.775 14 L CB -0.326 41.754 42.059 0.034 0.000 0.913 14 L HN 0.137 nan 8.230 nan 0.000 0.440 15 K N 0.087 120.500 120.400 0.022 0.000 2.031 15 K HA -0.115 4.206 4.320 0.001 0.000 0.205 15 K C 2.076 178.681 176.600 0.009 0.000 1.049 15 K CA 0.973 57.265 56.287 0.008 0.000 0.939 15 K CB -0.126 32.368 32.500 -0.010 0.000 0.717 15 K HN 0.233 nan 8.250 nan 0.000 0.438 16 E N -0.019 120.195 120.200 0.022 0.000 2.038 16 E HA -0.232 4.118 4.350 0.001 0.000 0.195 16 E C 1.985 178.611 176.600 0.044 0.000 1.000 16 E CA 1.179 57.595 56.400 0.027 0.000 0.803 16 E CB -0.492 29.229 29.700 0.036 0.000 0.750 16 E HN 0.305 nan 8.360 nan 0.000 0.448 17 F N 1.158 121.059 119.950 -0.083 0.000 2.333 17 F HA -0.020 4.507 4.527 0.001 0.000 0.300 17 F C 1.387 177.108 175.800 -0.132 0.000 1.083 17 F CA 1.729 59.660 58.000 -0.115 0.000 1.395 17 F CB 0.030 38.936 39.000 -0.156 0.000 1.056 17 F HN 0.185 nan 8.300 nan 0.000 0.529 18 G N 0.041 108.729 108.800 -0.187 0.000 2.131 18 G HA2 0.044 4.005 3.960 0.001 0.000 0.201 18 G HA3 0.044 4.005 3.960 0.001 0.000 0.201 18 G C 0.012 174.783 174.900 -0.215 0.000 1.000 18 G CA -0.084 44.873 45.100 -0.238 0.000 0.680 18 G HN 0.879 nan 8.290 nan 0.000 0.514 19 A N -0.276 122.479 122.820 -0.108 0.000 2.324 19 A HA 0.720 5.041 4.320 0.001 0.000 0.330 19 A C -0.071 177.534 177.584 0.034 0.000 1.165 19 A CA 0.063 52.077 52.037 -0.038 0.000 0.813 19 A CB 0.959 19.963 19.000 0.006 0.000 1.197 19 A HN 0.425 nan 8.150 nan 0.000 0.484 20 D N 0.654 121.088 120.400 0.057 0.000 2.389 20 D HA 0.394 5.035 4.640 0.001 0.000 0.247 20 D C -0.572 175.794 176.300 0.111 0.000 1.128 20 D CA 0.663 54.707 54.000 0.074 0.000 0.884 20 D CB 0.714 41.559 40.800 0.075 0.000 1.194 20 D HN 0.194 nan 8.370 nan 0.000 0.441 21 V N 4.584 124.569 119.914 0.118 0.000 2.487 21 V HA 0.391 4.511 4.120 0.001 0.000 0.298 21 V C -0.455 175.765 176.094 0.211 0.000 1.028 21 V CA -0.786 61.621 62.300 0.178 0.000 0.860 21 V CB 1.636 33.553 31.823 0.157 0.000 0.991 21 V HN 0.510 nan 8.190 nan 0.000 0.427 22 Q N 3.873 123.835 119.800 0.270 0.000 2.304 22 Q HA 0.303 4.643 4.340 0.001 0.000 0.270 22 Q C -1.303 174.859 176.000 0.270 0.000 1.035 22 Q CA -0.267 55.668 55.803 0.219 0.000 0.781 22 Q CB 3.210 32.022 28.738 0.123 0.000 1.261 22 Q HN 0.935 nan 8.270 nan 0.000 0.444 23 W N 4.562 125.835 121.300 -0.046 0.000 2.376 23 W HA 0.293 4.954 4.660 0.001 0.000 0.312 23 W C -1.140 175.271 176.519 -0.180 0.000 1.060 23 W CA -0.475 56.693 57.345 -0.294 0.000 1.221 23 W CB 1.281 30.544 29.460 -0.328 0.000 1.281 23 W HN 0.536 nan 8.180 nan 0.000 0.456 24 D N 4.585 124.449 120.400 -0.893 0.000 2.454 24 D HA 0.037 4.678 4.640 0.001 0.000 0.225 24 D C 0.518 176.098 176.300 -1.199 0.000 1.081 24 D CA -0.005 53.539 54.000 -0.760 0.000 0.864 24 D CB 1.181 41.741 40.800 -0.399 0.000 1.040 24 D HN 0.517 nan 8.370 nan 0.000 0.517 25 D N 2.381 122.222 120.400 -0.933 0.000 2.178 25 D HA -0.230 4.411 4.640 0.001 0.000 0.202 25 D C 1.444 177.562 176.300 -0.302 0.000 0.974 25 D CA 0.982 54.604 54.000 -0.630 0.000 0.841 25 D CB 0.035 40.752 40.800 -0.138 0.000 0.953 25 D HN 0.501 nan 8.370 nan 0.000 0.478 26 Y N 0.523 120.629 120.300 -0.323 0.000 2.163 26 Y HA 0.035 4.585 4.550 0.001 0.000 0.288 26 Y C 1.928 177.705 175.900 -0.205 0.000 1.136 26 Y CA 1.749 59.729 58.100 -0.199 0.000 1.147 26 Y CB -0.394 37.975 38.460 -0.153 0.000 0.987 26 Y HN 0.008 nan 8.280 nan 0.000 0.509 27 A N -0.731 121.914 122.820 -0.293 0.000 2.238 27 A HA 0.090 4.411 4.320 0.001 0.000 0.210 27 A C 0.582 177.961 177.584 -0.342 0.000 1.179 27 A CA 0.376 52.216 52.037 -0.327 0.000 0.827 27 A CB -0.175 18.715 19.000 -0.183 0.000 0.856 27 A HN 0.492 nan 8.150 nan 0.000 0.488 28 Q N -1.745 117.749 119.800 -0.510 0.000 2.453 28 Q HA -0.205 4.136 4.340 0.001 0.000 0.330 28 Q C -0.874 174.902 176.000 -0.374 0.000 1.417 28 Q CA 0.902 56.407 55.803 -0.496 0.000 0.902 28 Q CB -1.768 26.917 28.738 -0.088 0.000 1.154 28 Q HN 0.590 nan 8.270 nan 0.000 0.395 29 L N -0.045 120.787 121.223 -0.651 0.000 2.436 29 L HA 0.613 4.954 4.340 0.001 0.000 0.268 29 L C -1.075 175.703 176.870 -0.154 0.000 0.974 29 L CA -0.504 54.213 54.840 -0.205 0.000 0.826 29 L CB 1.302 43.277 42.059 -0.139 0.000 1.291 29 L HN 0.036 nan 8.230 nan 0.000 0.406 30 F N 2.475 122.566 119.950 0.234 0.000 2.394 30 F HA 0.575 5.102 4.527 0.001 0.000 0.340 30 F C 0.573 176.429 175.800 0.094 0.000 1.105 30 F CA -0.016 58.130 58.000 0.243 0.000 1.124 30 F CB 1.812 40.958 39.000 0.243 0.000 1.145 30 F HN 0.386 nan 8.300 nan 0.000 0.505 31 T N 5.651 120.356 114.554 0.250 0.000 2.791 31 T HA 0.583 4.934 4.350 0.001 0.000 0.288 31 T C -0.469 174.274 174.700 0.071 0.000 0.999 31 T CA -0.566 61.563 62.100 0.048 0.000 0.952 31 T CB 0.436 69.277 68.868 -0.045 0.000 0.938 31 T HN 0.274 nan 8.240 nan 0.000 0.444 32 L N 4.457 125.699 121.223 0.031 0.000 2.329 32 L HA 0.695 5.035 4.340 0.001 0.000 0.279 32 L C -0.476 176.459 176.870 0.108 0.000 1.014 32 L CA -1.007 53.925 54.840 0.155 0.000 0.814 32 L CB 1.575 43.834 42.059 0.333 0.000 1.257 32 L HN 0.475 nan 8.230 nan 0.000 0.424 33 I N 2.990 123.660 120.570 0.166 0.000 2.582 33 I HA 0.481 4.652 4.170 0.001 0.000 0.292 33 I C -0.681 175.559 176.117 0.205 0.000 1.066 33 I CA -0.726 60.682 61.300 0.179 0.000 1.053 33 I CB 2.321 40.401 38.000 0.133 0.000 1.241 33 I HN 0.448 nan 8.210 nan 0.000 0.421 34 K N 5.542 126.094 120.400 0.253 0.000 2.690 34 K HA 0.316 4.637 4.320 0.001 0.000 0.264 34 K C -0.580 176.132 176.600 0.186 0.000 1.040 34 K CA -0.202 56.164 56.287 0.132 0.000 0.946 34 K CB 0.723 33.213 32.500 -0.015 0.000 1.268 34 K HN 0.675 nan 8.250 nan 0.000 0.473 35 D N 2.112 122.601 120.400 0.148 0.000 3.771 35 D HA -0.269 4.372 4.640 0.001 0.000 0.145 35 D C 0.915 177.347 176.300 0.220 0.000 0.892 35 D CA 2.272 56.391 54.000 0.198 0.000 1.080 35 D CB -1.002 39.943 40.800 0.242 0.000 0.498 35 D HN 0.687 nan 8.370 nan 0.000 0.499 36 G N 0.361 109.302 108.800 0.236 0.000 2.920 36 G HA2 0.354 4.314 3.960 0.001 0.000 0.208 36 G HA3 0.354 4.314 3.960 0.001 0.000 0.208 36 G C 0.339 175.354 174.900 0.192 0.000 1.159 36 G CA 0.963 46.160 45.100 0.162 0.000 0.784 36 G HN 0.633 nan 8.290 nan 0.000 0.535 37 A N 0.218 123.199 122.820 0.268 0.000 2.252 37 A HA 0.606 4.926 4.320 0.001 0.000 0.309 37 A C -1.485 176.282 177.584 0.305 0.000 1.285 37 A CA -0.649 51.558 52.037 0.284 0.000 0.900 37 A CB 0.394 19.650 19.000 0.426 0.000 1.157 37 A HN 0.291 nan 8.150 nan 0.000 0.536 38 Y N 3.478 123.844 120.300 0.111 0.000 2.388 38 Y HA 0.527 5.077 4.550 0.001 0.000 0.328 38 Y C -0.845 175.091 175.900 0.059 0.000 0.963 38 Y CA -0.493 57.669 58.100 0.102 0.000 1.240 38 Y CB 1.260 39.764 38.460 0.074 0.000 1.118 38 Y HN 0.446 nan 8.280 nan 0.000 0.484 39 V N 6.167 125.976 119.914 -0.175 0.000 2.628 39 V HA 0.527 4.648 4.120 0.001 0.000 0.306 39 V C -0.802 175.224 176.094 -0.114 0.000 1.045 39 V CA -1.173 61.055 62.300 -0.121 0.000 0.905 39 V CB 1.976 33.685 31.823 -0.191 0.000 0.997 39 V HN 0.585 nan 8.190 nan 0.000 0.436 40 K N 2.698 123.094 120.400 -0.006 0.000 2.507 40 K HA 0.758 5.078 4.320 0.001 0.000 0.252 40 K C -1.684 174.978 176.600 0.103 0.000 0.943 40 K CA -0.605 55.715 56.287 0.056 0.000 0.808 40 K CB 2.625 35.172 32.500 0.078 0.000 1.142 40 K HN 0.441 nan 8.250 nan 0.000 0.426 41 V N 3.144 123.166 119.914 0.181 0.000 2.733 41 V HA 0.385 4.506 4.120 0.001 0.000 0.306 41 V C -1.516 174.745 176.094 0.279 0.000 1.084 41 V CA -0.736 61.691 62.300 0.212 0.000 0.905 41 V CB 1.868 33.840 31.823 0.249 0.000 1.010 41 V HN 0.655 nan 8.190 nan 0.000 0.424 42 K N 6.814 127.340 120.400 0.211 0.000 2.159 42 K HA 0.563 4.884 4.320 0.001 0.000 0.266 42 K C -2.658 174.081 176.600 0.231 0.000 0.975 42 K CA -1.847 54.572 56.287 0.220 0.000 0.865 42 K CB 1.774 34.348 32.500 0.124 0.000 1.087 42 K HN 0.465 nan 8.250 nan 0.000 0.446 43 P HA -0.069 nan 4.420 nan 0.000 0.264 43 P C 0.643 178.023 177.300 0.133 0.000 1.183 43 P CA 0.812 64.040 63.100 0.214 0.000 0.763 43 P CB 0.554 32.394 31.700 0.233 0.000 0.807 44 G N 1.712 110.569 108.800 0.095 0.000 2.284 44 G HA2 -0.271 3.689 3.960 0.001 0.000 0.261 44 G HA3 -0.271 3.689 3.960 0.001 0.000 0.261 44 G C 0.535 175.473 174.900 0.064 0.000 0.997 44 G CA 0.174 45.314 45.100 0.067 0.000 0.621 44 G HN 0.880 nan 8.290 nan 0.000 0.534 45 A N -0.161 122.707 122.820 0.080 0.000 2.425 45 A HA 0.612 4.932 4.320 0.001 0.000 0.242 45 A C 1.203 178.826 177.584 0.065 0.000 1.077 45 A CA 0.967 53.045 52.037 0.069 0.000 0.781 45 A CB 0.318 19.365 19.000 0.079 0.000 1.020 45 A HN 0.356 nan 8.150 nan 0.000 0.494 46 Q N -0.395 119.435 119.800 0.050 0.000 2.356 46 Q HA 0.054 4.394 4.340 0.001 0.000 0.205 46 Q C 0.364 176.388 176.000 0.040 0.000 0.901 46 Q CA 1.034 56.862 55.803 0.043 0.000 0.938 46 Q CB 0.413 29.169 28.738 0.030 0.000 1.081 46 Q HN 0.946 nan 8.270 nan 0.000 0.517 47 T N -2.741 111.838 114.554 0.042 0.000 2.906 47 T HA 0.793 5.144 4.350 0.001 0.000 0.295 47 T C -0.775 173.952 174.700 0.045 0.000 1.061 47 T CA -0.653 61.467 62.100 0.033 0.000 1.000 47 T CB 2.412 71.292 68.868 0.020 0.000 1.103 47 T HN 0.046 nan 8.240 nan 0.000 0.486 48 A N 2.076 124.912 122.820 0.027 0.000 2.344 48 A HA 0.850 5.170 4.320 0.001 0.000 0.307 48 A C -0.853 176.734 177.584 0.006 0.000 1.151 48 A CA -1.027 51.029 52.037 0.031 0.000 0.842 48 A CB 1.045 20.057 19.000 0.020 0.000 1.350 48 A HN 0.792 nan 8.150 nan 0.000 0.459 49 I N 1.394 121.971 120.570 0.012 0.000 2.389 49 I HA 0.393 4.563 4.170 0.001 0.000 0.288 49 I C -0.758 175.358 176.117 -0.002 0.000 0.999 49 I CA -0.527 60.783 61.300 0.016 0.000 1.129 49 I CB 0.894 38.925 38.000 0.053 0.000 1.288 49 I HN 0.223 nan 8.210 nan 0.000 0.444 50 V N 6.827 126.730 119.914 -0.019 0.000 2.378 50 V HA 0.363 4.484 4.120 0.001 0.000 0.288 50 V C 0.372 176.483 176.094 0.030 0.000 1.016 50 V CA -0.708 61.576 62.300 -0.026 0.000 0.840 50 V CB 1.157 32.924 31.823 -0.093 0.000 0.994 50 V HN 0.791 nan 8.190 nan 0.000 0.431 51 N N 3.982 122.736 118.700 0.090 0.000 2.696 51 N HA -0.226 4.515 4.740 0.001 0.000 0.249 51 N C 1.155 176.695 175.510 0.050 0.000 1.090 51 N CA 1.772 54.873 53.050 0.084 0.000 0.716 51 N CB -1.083 37.436 38.487 0.053 0.000 1.020 51 N HN 1.530 nan 8.380 nan 0.000 0.548 52 G N -2.378 106.460 108.800 0.062 0.000 2.175 52 G HA2 -0.278 3.682 3.960 0.001 0.000 0.244 52 G HA3 -0.278 3.682 3.960 0.001 0.000 0.244 52 G C -0.393 174.522 174.900 0.024 0.000 0.982 52 G CA 0.208 45.332 45.100 0.039 0.000 0.641 52 G HN 0.388 nan 8.290 nan 0.000 0.527 53 Q N 0.540 120.351 119.800 0.019 0.000 2.337 53 Q HA 0.486 4.826 4.340 0.001 0.000 0.266 53 Q C -2.626 173.374 176.000 0.001 0.000 1.023 53 Q CA -1.950 53.857 55.803 0.007 0.000 0.829 53 Q CB 2.837 31.575 28.738 0.000 0.000 1.306 53 Q HN 0.308 nan 8.270 nan 0.000 0.449 54 P HA 0.206 nan 4.420 nan 0.000 0.276 54 P C -0.842 176.448 177.300 -0.016 0.000 1.230 54 P CA -0.513 62.586 63.100 -0.003 0.000 0.776 54 P CB 0.821 32.522 31.700 0.002 0.000 0.888 55 L N 3.006 124.214 121.223 -0.025 0.000 2.385 55 L HA 0.724 5.064 4.340 0.001 0.000 0.273 55 L C -0.669 176.183 176.870 -0.029 0.000 0.990 55 L CA -0.974 53.840 54.840 -0.042 0.000 0.821 55 L CB 1.712 43.721 42.059 -0.084 0.000 1.279 55 L HN 0.452 nan 8.230 nan 0.000 0.412 56 A N 5.649 128.454 122.820 -0.024 0.000 2.354 56 A HA 0.705 5.025 4.320 0.001 0.000 0.269 56 A C -0.908 176.669 177.584 -0.011 0.000 1.109 56 A CA -0.359 51.672 52.037 -0.009 0.000 0.800 56 A CB 0.149 19.146 19.000 -0.006 0.000 1.045 56 A HN 0.738 nan 8.150 nan 0.000 0.489 57 L N 2.267 123.498 121.223 0.012 0.000 2.362 57 L HA 0.308 4.648 4.340 0.001 0.000 0.275 57 L C 1.133 178.023 176.870 0.033 0.000 0.998 57 L CA -0.523 54.335 54.840 0.029 0.000 0.820 57 L CB 1.702 43.808 42.059 0.078 0.000 1.270 57 L HN 0.956 nan 8.230 nan 0.000 0.415 58 Q N 1.375 121.192 119.800 0.029 0.000 1.993 58 Q HA -0.048 4.292 4.340 0.001 0.000 0.202 58 Q C 0.065 176.087 176.000 0.036 0.000 0.984 58 Q CA 1.179 56.998 55.803 0.027 0.000 0.837 58 Q CB 0.083 28.834 28.738 0.023 0.000 0.902 58 Q HN 0.442 nan 8.270 nan 0.000 0.423 59 V N 3.534 123.479 119.914 0.051 0.000 2.333 59 V HA 0.210 4.331 4.120 0.001 0.000 0.274 59 V C -2.117 174.022 176.094 0.076 0.000 1.028 59 V CA -1.534 60.798 62.300 0.053 0.000 0.851 59 V CB 0.820 32.672 31.823 0.048 0.000 1.000 59 V HN 0.173 nan 8.190 nan 0.000 0.456 60 P HA 0.258 nan 4.420 nan 0.000 0.276 60 P C -0.387 176.931 177.300 0.029 0.000 1.261 60 P CA -0.384 62.757 63.100 0.067 0.000 0.800 60 P CB 0.569 32.302 31.700 0.055 0.000 1.066 61 V N 0.866 120.787 119.914 0.011 0.000 2.637 61 V HA 0.092 4.212 4.120 0.001 0.000 0.296 61 V C 0.367 176.465 176.094 0.006 0.000 1.046 61 V CA 0.016 62.273 62.300 -0.071 0.000 1.066 61 V CB 0.819 32.577 31.823 -0.108 0.000 0.968 61 V HN 0.190 nan 8.190 nan 0.000 0.483 62 V N 6.258 126.180 119.914 0.012 0.000 2.384 62 V HA 0.406 4.527 4.120 0.001 0.000 0.287 62 V C 0.039 176.191 176.094 0.097 0.000 1.020 62 V CA -0.613 61.719 62.300 0.052 0.000 0.850 62 V CB 1.571 33.417 31.823 0.038 0.000 0.987 62 V HN 0.801 nan 8.190 nan 0.000 0.436 63 M N 5.476 125.118 119.600 0.069 0.000 2.144 63 M HA 0.440 4.920 4.480 0.001 0.000 0.356 63 M C -0.341 175.997 176.300 0.063 0.000 1.217 63 M CA -0.210 55.127 55.300 0.061 0.000 1.087 63 M CB 0.430 33.047 32.600 0.027 0.000 1.609 63 M HN 0.463 nan 8.290 nan 0.000 0.467 64 K N 3.472 123.937 120.400 0.109 0.000 2.656 64 K HA 0.288 4.608 4.320 0.001 0.000 0.241 64 K C -1.121 175.525 176.600 0.076 0.000 0.967 64 K CA -0.374 55.946 56.287 0.055 0.000 0.946 64 K CB 0.773 33.250 32.500 -0.039 0.000 1.164 64 K HN 0.678 nan 8.250 nan 0.000 0.459 65 D N 2.329 122.751 120.400 0.037 0.000 2.723 65 D HA -0.203 4.438 4.640 0.001 0.000 0.236 65 D C -0.413 175.907 176.300 0.034 0.000 1.138 65 D CA 0.916 54.937 54.000 0.034 0.000 0.676 65 D CB -1.053 39.769 40.800 0.036 0.000 1.069 65 D HN 0.755 nan 8.370 nan 0.000 0.430 66 N N -1.944 116.764 118.700 0.013 0.000 2.878 66 N HA -0.207 4.533 4.740 0.001 0.000 0.247 66 N C -0.476 174.999 175.510 -0.059 0.000 1.021 66 N CA 1.223 54.251 53.050 -0.036 0.000 0.873 66 N CB -0.659 37.818 38.487 -0.016 0.000 1.128 66 N HN 0.553 nan 8.380 nan 0.000 0.571 67 K N 0.267 120.676 120.400 0.016 0.000 2.323 67 K HA 0.702 5.022 4.320 0.001 0.000 0.259 67 K C -0.234 176.378 176.600 0.021 0.000 0.947 67 K CA -0.378 55.903 56.287 -0.010 0.000 0.819 67 K CB 1.740 34.293 32.500 0.088 0.000 1.109 67 K HN 0.180 nan 8.250 nan 0.000 0.429 68 A N 3.035 125.753 122.820 -0.170 0.000 2.354 68 A HA 0.497 4.817 4.320 0.001 0.000 0.269 68 A C -1.435 175.934 177.584 -0.358 0.000 1.109 68 A CA -0.193 51.748 52.037 -0.160 0.000 0.800 68 A CB 0.172 19.031 19.000 -0.235 0.000 1.045 68 A HN 0.699 nan 8.150 nan 0.000 0.489 69 W N 0.621 121.788 121.300 -0.221 0.000 2.998 69 W HA 0.520 5.180 4.660 0.001 0.000 0.335 69 W C -0.506 175.841 176.519 -0.286 0.000 1.110 69 W CA -0.452 56.760 57.345 -0.221 0.000 1.230 69 W CB 2.150 31.520 29.460 -0.151 0.000 1.405 69 W HN 0.761 nan 8.180 nan 0.000 0.493 70 V N 0.300 120.137 119.914 -0.127 0.000 2.962 70 V HA 0.800 4.921 4.120 0.001 0.000 0.313 70 V C 0.203 176.240 176.094 -0.094 0.000 1.099 70 V CA -1.096 61.051 62.300 -0.254 0.000 0.971 70 V CB 1.104 32.501 31.823 -0.710 0.000 1.028 70 V HN 0.616 nan 8.190 nan 0.000 0.430 71 S N 1.265 116.947 115.700 -0.030 0.000 2.587 71 S HA 0.064 4.535 4.470 0.001 0.000 0.260 71 S C 0.815 175.403 174.600 -0.021 0.000 1.353 71 S CA 0.589 58.776 58.200 -0.022 0.000 0.995 71 S CB 0.646 63.865 63.200 0.032 0.000 0.912 71 S HN 1.214 nan 8.310 nan 0.000 0.568 72 D N -0.305 120.047 120.400 -0.081 0.000 2.363 72 D HA -0.072 4.569 4.640 0.001 0.000 0.220 72 D C 1.389 177.700 176.300 0.018 0.000 0.994 72 D CA 1.109 55.080 54.000 -0.049 0.000 0.890 72 D CB -0.803 39.968 40.800 -0.050 0.000 0.906 72 D HN 0.686 nan 8.370 nan 0.000 0.530 73 T N -4.019 110.558 114.554 0.039 0.000 3.092 73 T HA 0.128 4.478 4.350 0.001 0.000 0.258 73 T C 1.418 176.139 174.700 0.035 0.000 1.031 73 T CA -0.639 61.478 62.100 0.029 0.000 0.925 73 T CB -0.881 67.998 68.868 0.019 0.000 1.036 73 T HN 0.041 nan 8.240 nan 0.000 0.544 74 F N 2.150 122.059 119.950 -0.069 0.000 2.095 74 F HA 0.031 4.558 4.527 0.001 0.000 0.298 74 F C 1.759 177.518 175.800 -0.068 0.000 1.104 74 F CA 1.348 59.306 58.000 -0.070 0.000 1.232 74 F CB -0.261 38.691 39.000 -0.080 0.000 0.987 74 F HN 0.116 nan 8.300 nan 0.000 0.475 75 I N 0.338 120.907 120.570 -0.001 0.000 2.286 75 I HA -0.348 3.823 4.170 0.001 0.000 0.248 75 I C 1.782 177.804 176.117 -0.158 0.000 1.115 75 I CA 1.940 63.144 61.300 -0.160 0.000 1.392 75 I CB -0.568 37.166 38.000 -0.444 0.000 1.065 75 I HN 0.271 nan 8.210 nan 0.000 0.418 76 N N 0.423 119.049 118.700 -0.123 0.000 2.109 76 N HA -0.168 4.572 4.740 0.001 0.000 0.188 76 N C 1.415 176.866 175.510 -0.098 0.000 1.034 76 N CA 1.189 54.198 53.050 -0.069 0.000 0.846 76 N CB -0.084 38.379 38.487 -0.039 0.000 1.010 76 N HN 0.187 nan 8.380 nan 0.000 0.425 77 D N 0.373 120.687 120.400 -0.144 0.000 2.149 77 D HA -0.137 4.504 4.640 0.001 0.000 0.194 77 D C 1.893 178.041 176.300 -0.252 0.000 1.001 77 D CA 0.909 54.806 54.000 -0.172 0.000 0.849 77 D CB -0.326 40.366 40.800 -0.179 0.000 0.939 77 D HN 0.085 nan 8.370 nan 0.000 0.449 78 V N -0.267 119.399 119.914 -0.414 0.000 2.326 78 V HA -0.092 4.028 4.120 0.001 0.000 0.237 78 V C 1.878 177.729 176.094 -0.404 0.000 1.044 78 V CA 0.905 62.875 62.300 -0.550 0.000 1.035 78 V CB -0.445 30.773 31.823 -1.008 0.000 0.675 78 V HN 0.028 nan 8.190 nan 0.000 0.470 79 F N -0.024 119.817 119.950 -0.181 0.000 2.699 79 F HA 0.026 4.553 4.527 0.001 0.000 0.298 79 F C 1.922 177.732 175.800 0.016 0.000 1.154 79 F CA 0.736 58.722 58.000 -0.023 0.000 1.457 79 F CB -0.126 38.926 39.000 0.086 0.000 1.106 79 F HN 0.222 nan 8.300 nan 0.000 0.585 80 Q N -0.983 118.875 119.800 0.096 0.000 2.135 80 Q HA 0.066 4.406 4.340 0.001 0.000 0.231 80 Q C 1.924 177.934 176.000 0.016 0.000 0.817 80 Q CA 0.120 55.965 55.803 0.070 0.000 1.073 80 Q CB 0.484 29.256 28.738 0.058 0.000 1.176 80 Q HN 0.301 nan 8.270 nan 0.000 0.478 81 S N -0.818 114.869 115.700 -0.022 0.000 2.356 81 S HA -0.048 4.423 4.470 0.001 0.000 0.223 81 S C 1.652 176.247 174.600 -0.009 0.000 1.032 81 S CA 1.320 59.495 58.200 -0.042 0.000 1.005 81 S CB -0.171 62.979 63.200 -0.084 0.000 0.867 81 S HN 0.511 nan 8.310 nan 0.000 0.449 82 G N 0.402 109.209 108.800 0.012 0.000 2.229 82 G HA2 -0.152 3.808 3.960 0.001 0.000 0.189 82 G HA3 -0.152 3.808 3.960 0.001 0.000 0.189 82 G C 0.631 175.544 174.900 0.022 0.000 1.000 82 G CA 0.144 45.260 45.100 0.026 0.000 0.663 82 G HN 0.481 nan 8.290 nan 0.000 0.493 83 L N 0.822 122.048 121.223 0.006 0.000 2.478 83 L HA 0.244 4.585 4.340 0.001 0.000 0.223 83 L C 0.888 177.771 176.870 0.022 0.000 1.140 83 L CA 0.588 55.430 54.840 0.004 0.000 0.842 83 L CB 0.070 42.119 42.059 -0.018 0.000 0.953 83 L HN 0.169 nan 8.230 nan 0.000 0.452 84 D N 0.788 121.214 120.400 0.044 0.000 2.411 84 D HA 0.053 4.694 4.640 0.001 0.000 0.225 84 D C 0.559 176.911 176.300 0.086 0.000 1.156 84 D CA -0.011 54.037 54.000 0.080 0.000 0.874 84 D CB 0.875 41.757 40.800 0.135 0.000 1.034 84 D HN 0.173 nan 8.370 nan 0.000 0.502 85 Q N 2.090 121.920 119.800 0.050 0.000 2.280 85 Q HA 0.037 4.377 4.340 0.001 0.000 0.202 85 Q C 1.163 177.175 176.000 0.020 0.000 0.903 85 Q CA 0.074 55.901 55.803 0.040 0.000 0.948 85 Q CB 0.427 29.174 28.738 0.016 0.000 1.058 85 Q HN 0.446 nan 8.270 nan 0.000 0.493 86 T N 0.646 115.208 114.554 0.013 0.000 2.708 86 T HA -0.088 4.262 4.350 0.001 0.000 0.266 86 T C 0.270 174.832 174.700 -0.230 0.000 1.037 86 T CA 1.173 63.192 62.100 -0.136 0.000 1.146 86 T CB -0.058 68.721 68.868 -0.148 0.000 0.865 86 T HN 0.121 nan 8.240 nan 0.000 0.435 87 F N 1.787 121.770 119.950 0.055 0.000 2.415 87 F HA 0.461 4.988 4.527 0.001 0.000 0.348 87 F C 0.486 176.309 175.800 0.039 0.000 1.119 87 F CA -1.073 56.956 58.000 0.049 0.000 1.069 87 F CB 1.056 40.085 39.000 0.049 0.000 1.124 87 F HN -0.145 nan 8.300 nan 0.000 0.472 88 Q N 2.279 122.187 119.800 0.179 0.000 2.351 88 Q HA 0.552 4.892 4.340 0.001 0.000 0.273 88 Q C -0.523 175.548 176.000 0.119 0.000 1.077 88 Q CA -1.041 54.834 55.803 0.121 0.000 0.843 88 Q CB 2.732 31.513 28.738 0.071 0.000 1.367 88 Q HN 0.573 nan 8.270 nan 0.000 0.449 89 V N -1.751 118.216 119.914 0.088 0.000 2.686 89 V HA 0.383 4.503 4.120 0.001 0.000 0.295 89 V C 0.007 176.143 176.094 0.071 0.000 1.057 89 V CA -0.571 61.774 62.300 0.076 0.000 1.012 89 V CB 1.294 33.152 31.823 0.058 0.000 1.006 89 V HN 0.790 nan 8.190 nan 0.000 0.477 90 E N 2.507 122.752 120.200 0.075 0.000 2.167 90 E HA 0.241 4.592 4.350 0.001 0.000 0.284 90 E C 0.372 177.019 176.600 0.078 0.000 1.016 90 E CA -0.695 55.757 56.400 0.087 0.000 0.817 90 E CB 1.430 31.192 29.700 0.104 0.000 1.080 90 E HN 0.803 nan 8.360 nan 0.000 0.397 91 K N 4.058 124.504 120.400 0.076 0.000 1.980 91 K HA 0.005 4.325 4.320 0.001 0.000 0.208 91 K C 0.130 176.779 176.600 0.082 0.000 1.043 91 K CA 1.390 57.715 56.287 0.064 0.000 0.938 91 K CB 0.158 32.686 32.500 0.047 0.000 0.724 91 K HN 0.370 nan 8.250 nan 0.000 0.438 92 R N 1.907 122.476 120.500 0.115 0.000 2.229 92 R HA 0.287 4.628 4.340 0.001 0.000 0.332 92 R C -2.267 174.165 176.300 0.221 0.000 0.989 92 R CA -2.115 54.084 56.100 0.164 0.000 0.842 92 R CB 1.150 31.564 30.300 0.190 0.000 1.119 92 R HN 0.240 nan 8.270 nan 0.000 0.456 93 P HA -0.118 nan 4.420 nan 0.000 0.263 93 P C -0.679 176.631 177.300 0.016 0.000 1.195 93 P CA 0.291 63.449 63.100 0.097 0.000 0.762 93 P CB 0.489 32.214 31.700 0.042 0.000 0.799 94 H N 6.583 125.609 119.070 -0.072 0.000 2.848 94 H HA 0.024 4.580 4.556 0.001 0.000 0.341 94 H C -1.157 173.888 175.328 -0.471 0.000 1.060 94 H CA -1.063 54.766 56.048 -0.365 0.000 1.444 94 H CB 0.904 30.587 29.762 -0.131 0.000 1.446 94 H HN 0.291 nan 8.280 nan 0.000 0.583 95 P HA -0.081 nan 4.420 nan 0.000 0.230 95 P C 1.308 178.454 177.300 -0.256 0.000 1.158 95 P CA 0.704 63.515 63.100 -0.482 0.000 0.769 95 P CB 0.397 31.742 31.700 -0.590 0.000 0.807 96 L N -1.406 119.722 121.223 -0.158 0.000 2.592 96 L HA 0.132 4.473 4.340 0.001 0.000 0.227 96 L C 0.468 177.281 176.870 -0.094 0.000 1.127 96 L CA -0.171 54.542 54.840 -0.212 0.000 0.884 96 L CB -0.536 41.241 42.059 -0.470 0.000 1.065 96 L HN -0.098 nan 8.230 nan 0.000 0.457 97 N N 1.495 120.207 118.700 0.019 0.000 2.407 97 N HA 0.073 4.813 4.740 0.001 0.000 0.250 97 N C 0.337 175.871 175.510 0.039 0.000 1.236 97 N CA 0.270 53.396 53.050 0.126 0.000 0.879 97 N CB 0.708 39.257 38.487 0.103 0.000 1.088 97 N HN 0.106 nan 8.380 nan 0.000 0.450 98 A N 2.300 125.137 122.820 0.029 0.000 2.366 98 A HA 0.221 4.541 4.320 0.001 0.000 0.250 98 A C 0.406 177.983 177.584 -0.012 0.000 1.099 98 A CA -0.433 51.600 52.037 -0.007 0.000 0.794 98 A CB 0.009 18.994 19.000 -0.024 0.000 1.056 98 A HN 0.675 nan 8.150 nan 0.000 0.499 99 L N 1.552 122.764 121.223 -0.019 0.000 2.559 99 L HA 0.117 4.457 4.340 0.001 0.000 0.274 99 L C 1.476 178.333 176.870 -0.022 0.000 1.205 99 L CA -0.041 54.786 54.840 -0.021 0.000 0.907 99 L CB -0.288 41.756 42.059 -0.025 0.000 1.153 99 L HN 0.985 nan 8.230 nan 0.000 0.490 100 T N 0.064 114.606 114.554 -0.020 0.000 2.726 100 T HA 0.284 4.635 4.350 0.001 0.000 0.294 100 T C 1.278 175.962 174.700 -0.027 0.000 1.013 100 T CA -0.136 61.953 62.100 -0.019 0.000 0.996 100 T CB 1.267 70.126 68.868 -0.015 0.000 1.016 100 T HN 0.629 nan 8.240 nan 0.000 0.529 101 A N 0.451 123.255 122.820 -0.026 0.000 1.933 101 A HA -0.067 4.253 4.320 0.001 0.000 0.218 101 A C 2.100 179.661 177.584 -0.038 0.000 1.175 101 A CA 1.655 53.672 52.037 -0.033 0.000 0.628 101 A CB -1.007 17.977 19.000 -0.027 0.000 0.814 101 A HN 0.907 nan 8.150 nan 0.000 0.444 102 D N -0.407 119.975 120.400 -0.031 0.000 2.117 102 D HA -0.110 4.531 4.640 0.001 0.000 0.198 102 D C 1.920 178.198 176.300 -0.036 0.000 0.982 102 D CA 1.356 55.337 54.000 -0.031 0.000 0.828 102 D CB -0.310 40.476 40.800 -0.022 0.000 0.967 102 D HN 0.637 nan 8.370 nan 0.000 0.464 103 E N 0.259 120.439 120.200 -0.033 0.000 2.106 103 E HA -0.095 4.255 4.350 0.001 0.000 0.192 103 E C 2.345 178.915 176.600 -0.049 0.000 0.984 103 E CA 0.323 56.703 56.400 -0.034 0.000 0.806 103 E CB 0.065 29.749 29.700 -0.027 0.000 0.750 103 E HN 0.274 nan 8.360 nan 0.000 0.458 104 I N 1.237 121.772 120.570 -0.059 0.000 2.142 104 I HA -0.317 3.854 4.170 0.001 0.000 0.240 104 I C 2.247 178.292 176.117 -0.119 0.000 1.078 104 I CA 1.328 62.575 61.300 -0.089 0.000 1.343 104 I CB -0.178 37.770 38.000 -0.087 0.000 1.046 104 I HN 0.027 nan 8.210 nan 0.000 0.405 105 K N 0.084 120.424 120.400 -0.100 0.000 2.209 105 K HA -0.255 4.065 4.320 0.001 0.000 0.204 105 K C 2.081 178.622 176.600 -0.097 0.000 1.048 105 K CA 1.254 57.477 56.287 -0.106 0.000 0.940 105 K CB -0.182 32.273 32.500 -0.076 0.000 0.729 105 K HN 0.433 nan 8.250 nan 0.000 0.451 106 Q N 0.673 120.429 119.800 -0.073 0.000 2.020 106 Q HA -0.110 4.231 4.340 0.001 0.000 0.198 106 Q C 2.117 178.083 176.000 -0.058 0.000 0.974 106 Q CA 1.324 57.094 55.803 -0.056 0.000 0.829 106 Q CB -0.124 28.591 28.738 -0.038 0.000 0.894 106 Q HN 0.293 nan 8.270 nan 0.000 0.433 107 A N 0.129 122.914 122.820 -0.059 0.000 1.986 107 A HA -0.165 4.156 4.320 0.001 0.000 0.220 107 A C 2.151 179.698 177.584 -0.061 0.000 1.171 107 A CA 1.695 53.708 52.037 -0.042 0.000 0.640 107 A CB -0.686 18.291 19.000 -0.040 0.000 0.811 107 A HN 0.336 nan 8.150 nan 0.000 0.451 108 V N -0.697 119.129 119.914 -0.147 0.000 2.453 108 V HA -0.152 3.968 4.120 0.001 0.000 0.247 108 V C 2.478 178.482 176.094 -0.150 0.000 1.048 108 V CA 2.141 64.312 62.300 -0.215 0.000 1.049 108 V CB -0.554 31.044 31.823 -0.377 0.000 0.672 108 V HN 0.569 nan 8.190 nan 0.000 0.457 109 E N 0.229 120.357 120.200 -0.119 0.000 2.152 109 E HA -0.106 4.244 4.350 0.001 0.000 0.192 109 E C 1.941 178.490 176.600 -0.085 0.000 0.983 109 E CA 0.980 57.315 56.400 -0.108 0.000 0.818 109 E CB -0.293 29.361 29.700 -0.076 0.000 0.758 109 E HN 0.591 nan 8.360 nan 0.000 0.467 110 I N -0.157 120.387 120.570 -0.043 0.000 2.226 110 I HA -0.260 3.910 4.170 0.001 0.000 0.245 110 I C 2.203 178.341 176.117 0.035 0.000 1.100 110 I CA 1.171 62.471 61.300 0.000 0.000 1.374 110 I CB -0.290 37.726 38.000 0.026 0.000 1.057 110 I HN 0.106 nan 8.210 nan 0.000 0.413 111 V N -2.177 117.775 119.914 0.064 0.000 2.591 111 V HA -0.095 4.025 4.120 0.001 0.000 0.249 111 V C 2.083 178.157 176.094 -0.032 0.000 1.053 111 V CA 1.147 63.575 62.300 0.213 0.000 1.068 111 V CB -0.871 31.183 31.823 0.385 0.000 0.689 111 V HN 0.304 nan 8.190 nan 0.000 0.462 112 K N 1.149 121.303 120.400 -0.411 0.000 2.439 112 K HA 0.221 4.541 4.320 0.001 0.000 0.197 112 K C 1.989 178.456 176.600 -0.221 0.000 1.041 112 K CA 1.058 56.914 56.287 -0.717 0.000 0.970 112 K CB -0.167 31.954 32.500 -0.631 0.000 0.773 112 K HN 0.600 nan 8.250 nan 0.000 0.479 113 A N 1.013 123.768 122.820 -0.109 0.000 2.251 113 A HA 0.027 4.347 4.320 0.001 0.000 0.209 113 A C 0.989 178.550 177.584 -0.038 0.000 1.187 113 A CA -0.008 51.998 52.037 -0.052 0.000 0.823 113 A CB 0.109 19.086 19.000 -0.038 0.000 0.846 113 A HN 0.166 nan 8.150 nan 0.000 0.486 114 S N -0.949 114.732 115.700 -0.032 0.000 2.617 114 S HA 0.488 4.958 4.470 0.001 0.000 0.269 114 S C 1.465 175.985 174.600 -0.134 0.000 1.292 114 S CA 0.063 58.189 58.200 -0.123 0.000 1.010 114 S CB 1.221 64.257 63.200 -0.274 0.000 0.944 114 S HN 0.806 nan 8.310 nan 0.000 0.536 115 A N 2.623 125.320 122.820 -0.204 0.000 1.917 115 A HA -0.099 4.221 4.320 0.001 0.000 0.219 115 A C 1.474 178.968 177.584 -0.150 0.000 1.182 115 A CA 2.016 53.959 52.037 -0.158 0.000 0.633 115 A CB -0.780 18.114 19.000 -0.176 0.000 0.819 115 A HN 0.891 nan 8.150 nan 0.000 0.448 116 D N -1.975 118.240 120.400 -0.308 0.000 2.339 116 D HA 0.156 4.796 4.640 0.001 0.000 0.217 116 D C 0.145 176.465 176.300 0.032 0.000 1.050 116 D CA -0.191 53.685 54.000 -0.206 0.000 0.856 116 D CB -0.214 40.362 40.800 -0.374 0.000 0.922 116 D HN 0.406 nan 8.370 nan 0.000 0.518 117 F N 2.119 122.053 119.950 -0.027 0.000 2.459 117 F HA 0.152 4.679 4.527 0.000 0.000 0.346 117 F C 0.580 176.435 175.800 0.091 0.000 1.128 117 F CA 0.119 58.219 58.000 0.167 0.000 1.268 117 F CB 0.551 39.664 39.000 0.187 0.000 1.161 117 F HN -0.406 nan 8.300 nan 0.000 0.583 118 K N 6.268 126.377 120.400 -0.485 0.000 2.477 118 K HA 0.265 4.585 4.320 0.001 0.000 0.255 118 K C -2.190 174.240 176.600 -0.283 0.000 0.952 118 K CA -1.652 54.499 56.287 -0.226 0.000 0.826 118 K CB 1.750 34.148 32.500 -0.171 0.000 1.331 118 K HN 0.208 nan 8.250 nan 0.000 0.437 119 P HA -0.190 nan 4.420 nan 0.000 0.219 119 P C 0.573 177.873 177.300 0.001 0.000 1.146 119 P CA 1.466 64.600 63.100 0.057 0.000 0.808 119 P CB 0.170 31.908 31.700 0.062 0.000 0.779 120 N N -0.856 117.804 118.700 -0.067 0.000 2.463 120 N HA -0.035 4.705 4.740 0.001 0.000 0.181 120 N C 0.094 175.532 175.510 -0.121 0.000 1.078 120 N CA 0.436 53.451 53.050 -0.057 0.000 0.902 120 N CB -1.459 36.999 38.487 -0.048 0.000 0.970 120 N HN -0.039 nan 8.380 nan 0.000 0.451 121 T N 2.133 116.515 114.554 -0.287 0.000 2.871 121 T HA 0.094 4.445 4.350 0.001 0.000 0.296 121 T C 0.479 174.953 174.700 -0.378 0.000 0.998 121 T CA 0.213 62.045 62.100 -0.447 0.000 1.162 121 T CB 0.673 68.968 68.868 -0.955 0.000 0.947 121 T HN 0.211 nan 8.240 nan 0.000 0.536 122 R N 1.249 121.549 120.500 -0.334 0.000 2.902 122 R HA 0.623 4.964 4.340 0.001 0.000 0.258 122 R C -1.012 175.041 176.300 -0.412 0.000 1.071 122 R CA -0.808 55.172 56.100 -0.200 0.000 1.024 122 R CB 1.240 31.613 30.300 0.122 0.000 1.184 122 R HN 0.482 nan 8.270 nan 0.000 0.492 123 F N 0.052 120.088 119.950 0.143 0.000 2.403 123 F HA 0.200 4.727 4.527 0.000 0.000 0.355 123 F C 1.411 177.284 175.800 0.123 0.000 1.119 123 F CA -0.662 57.406 58.000 0.112 0.000 1.007 123 F CB 1.914 40.972 39.000 0.097 0.000 1.194 123 F HN 0.638 nan 8.300 nan 0.000 0.443 124 T N -1.688 112.989 114.554 0.205 0.000 2.896 124 T HA 0.019 4.369 4.350 0.001 0.000 0.263 124 T C 0.393 175.177 174.700 0.140 0.000 1.050 124 T CA 0.667 62.857 62.100 0.150 0.000 1.140 124 T CB 0.203 69.127 68.868 0.094 0.000 0.877 124 T HN 0.569 nan 8.240 nan 0.000 0.457 125 E N -0.233 120.054 120.200 0.146 0.000 2.321 125 E HA 0.524 4.874 4.350 0.001 0.000 0.281 125 E C -1.909 174.763 176.600 0.120 0.000 0.910 125 E CA -0.741 55.725 56.400 0.110 0.000 0.770 125 E CB 1.850 31.587 29.700 0.062 0.000 1.225 125 E HN 0.379 nan 8.360 nan 0.000 0.417 126 I N 3.129 123.750 120.570 0.085 0.000 2.495 126 I HA 0.337 4.507 4.170 0.001 0.000 0.277 126 I C -0.758 175.372 176.117 0.023 0.000 1.045 126 I CA -0.319 61.012 61.300 0.051 0.000 1.135 126 I CB 1.666 39.663 38.000 -0.006 0.000 1.241 126 I HN 0.253 nan 8.210 nan 0.000 0.469 127 S N 4.849 120.565 115.700 0.027 0.000 2.569 127 S HA 0.499 4.970 4.470 0.001 0.000 0.280 127 S C -0.677 173.927 174.600 0.007 0.000 1.111 127 S CA -0.628 57.579 58.200 0.013 0.000 0.887 127 S CB 2.397 65.610 63.200 0.021 0.000 1.095 127 S HN 0.496 nan 8.310 nan 0.000 0.476 128 L N 3.355 124.574 121.223 -0.007 0.000 2.601 128 L HA 0.189 4.530 4.340 0.001 0.000 0.277 128 L C -0.339 176.527 176.870 -0.005 0.000 1.219 128 L CA -0.042 54.791 54.840 -0.011 0.000 0.915 128 L CB 0.005 42.049 42.059 -0.025 0.000 1.160 128 L HN 0.573 nan 8.230 nan 0.000 0.494 129 L N 9.501 130.725 121.223 0.001 0.000 2.456 129 L HA 0.389 4.730 4.340 0.001 0.000 0.277 129 L C -2.108 174.762 176.870 -0.001 0.000 1.124 129 L CA -2.027 52.817 54.840 0.007 0.000 0.880 129 L CB -0.163 41.905 42.059 0.014 0.000 1.192 129 L HN 0.583 nan 8.230 nan 0.000 0.463 130 P HA 0.213 nan 4.420 nan 0.000 0.267 130 P C -2.574 174.735 177.300 0.014 0.000 1.205 130 P CA -0.984 62.117 63.100 0.003 0.000 0.765 130 P CB -0.184 31.531 31.700 0.025 0.000 0.828 131 P HA 0.043 nan 4.420 nan 0.000 0.271 131 P C -0.214 177.103 177.300 0.028 0.000 1.244 131 P CA 0.031 63.130 63.100 -0.001 0.000 0.793 131 P CB 0.264 31.940 31.700 -0.040 0.000 0.984 132 D N 0.258 120.671 120.400 0.022 0.000 2.345 132 D HA 0.018 4.659 4.640 0.001 0.000 0.247 132 D C 0.911 177.195 176.300 -0.027 0.000 1.108 132 D CA -0.405 53.612 54.000 0.029 0.000 0.894 132 D CB 0.962 41.783 40.800 0.035 0.000 1.203 132 D HN 0.301 nan 8.370 nan 0.000 0.430 133 K N 1.925 122.249 120.400 -0.127 0.000 2.107 133 K HA -0.306 4.015 4.320 0.001 0.000 0.211 133 K C 1.715 178.180 176.600 -0.226 0.000 1.049 133 K CA 1.941 57.938 56.287 -0.484 0.000 0.927 133 K CB 0.040 32.068 32.500 -0.787 0.000 0.714 133 K HN 0.630 nan 8.250 nan 0.000 0.452 134 E N -0.717 119.443 120.200 -0.067 0.000 2.072 134 E HA -0.172 4.178 4.350 0.001 0.000 0.191 134 E C 1.820 178.473 176.600 0.088 0.000 0.985 134 E CA 0.940 57.367 56.400 0.045 0.000 0.801 134 E CB -0.095 29.622 29.700 0.029 0.000 0.750 134 E HN 0.462 nan 8.360 nan 0.000 0.452 135 A N 0.403 123.254 122.820 0.051 0.000 1.877 135 A HA -0.138 4.182 4.320 0.001 0.000 0.216 135 A C 2.393 180.033 177.584 0.093 0.000 1.186 135 A CA 1.384 53.461 52.037 0.066 0.000 0.620 135 A CB -0.704 18.316 19.000 0.034 0.000 0.822 135 A HN 0.203 nan 8.150 nan 0.000 0.443 136 V N -2.022 117.917 119.914 0.042 0.000 2.255 136 V HA -0.320 3.800 4.120 0.001 0.000 0.247 136 V C 2.257 178.442 176.094 0.151 0.000 1.051 136 V CA 1.962 64.270 62.300 0.014 0.000 1.018 136 V CB -1.121 30.701 31.823 -0.002 0.000 0.641 136 V HN 0.787 nan 8.190 nan 0.000 0.445 137 W N -0.032 121.340 121.300 0.121 0.000 2.335 137 W HA -0.239 4.421 4.660 0.001 0.000 0.311 137 W C 2.643 179.226 176.519 0.106 0.000 1.213 137 W CA 1.247 58.666 57.345 0.123 0.000 1.274 137 W CB -0.362 29.119 29.460 0.034 0.000 1.148 137 W HN 0.224 nan 8.180 nan 0.000 0.498 138 A N -0.518 122.507 122.820 0.341 0.000 1.978 138 A HA -0.272 4.049 4.320 0.001 0.000 0.220 138 A C 1.638 179.332 177.584 0.184 0.000 1.170 138 A CA 1.689 53.847 52.037 0.203 0.000 0.636 138 A CB -1.181 17.900 19.000 0.136 0.000 0.810 138 A HN 0.444 nan 8.150 nan 0.000 0.448 139 F N 0.743 120.729 119.950 0.061 0.000 2.113 139 F HA 0.036 4.563 4.527 0.001 0.000 0.297 139 F C 2.499 178.317 175.800 0.030 0.000 1.103 139 F CA 1.208 59.203 58.000 -0.007 0.000 1.248 139 F CB -0.497 38.431 39.000 -0.121 0.000 0.999 139 F HN 0.235 nan 8.300 nan 0.000 0.475 140 A N 0.609 123.654 122.820 0.374 0.000 1.902 140 A HA -0.098 4.222 4.320 0.001 0.000 0.217 140 A C 2.267 179.975 177.584 0.207 0.000 1.181 140 A CA 1.962 54.206 52.037 0.344 0.000 0.623 140 A CB -1.030 18.273 19.000 0.505 0.000 0.818 140 A HN 0.504 nan 8.150 nan 0.000 0.443 141 L N -1.862 119.497 121.223 0.226 0.000 2.145 141 L HA 0.015 4.355 4.340 0.001 0.000 0.201 141 L C 2.242 179.134 176.870 0.037 0.000 1.075 141 L CA 1.219 56.137 54.840 0.131 0.000 0.773 141 L CB -0.311 41.817 42.059 0.114 0.000 0.936 141 L HN 0.384 nan 8.230 nan 0.000 0.451 142 E N -1.051 119.160 120.200 0.018 0.000 2.473 142 E HA 0.001 4.351 4.350 0.001 0.000 0.204 142 E C 0.033 176.584 176.600 -0.082 0.000 0.994 142 E CA -0.033 56.354 56.400 -0.022 0.000 0.945 142 E CB 0.438 30.138 29.700 -0.000 0.000 0.990 142 E HN 0.262 nan 8.360 nan 0.000 0.493 143 N N 1.227 119.828 118.700 -0.165 0.000 2.937 143 N HA -0.150 4.590 4.740 0.001 0.000 0.248 143 N C -0.784 174.585 175.510 -0.236 0.000 1.069 143 N CA 0.508 53.352 53.050 -0.343 0.000 0.822 143 N CB -0.726 37.611 38.487 -0.249 0.000 1.122 143 N HN -0.009 nan 8.380 nan 0.000 0.554 144 K N 1.437 121.784 120.400 -0.089 0.000 2.312 144 K HA 0.283 4.604 4.320 0.001 0.000 0.287 144 K C -2.358 174.303 176.600 0.100 0.000 1.062 144 K CA -1.306 54.984 56.287 0.005 0.000 0.934 144 K CB 0.479 33.000 32.500 0.035 0.000 1.027 144 K HN 0.053 nan 8.250 nan 0.000 0.478 145 P HA -0.061 nan 4.420 nan 0.000 0.262 145 P C -0.651 176.729 177.300 0.133 0.000 1.182 145 P CA -0.166 63.034 63.100 0.166 0.000 0.761 145 P CB 0.421 32.176 31.700 0.093 0.000 0.795 146 V N 4.110 124.100 119.914 0.126 0.000 2.415 146 V HA -0.006 4.114 4.120 0.001 0.000 0.267 146 V C 0.951 177.061 176.094 0.026 0.000 1.042 146 V CA 0.475 62.801 62.300 0.043 0.000 1.000 146 V CB 0.134 31.936 31.823 -0.036 0.000 1.015 146 V HN 0.613 nan 8.190 nan 0.000 0.478 147 D N 2.533 122.949 120.400 0.027 0.000 2.328 147 D HA 0.009 4.650 4.640 0.001 0.000 0.221 147 D C 0.695 177.002 176.300 0.012 0.000 1.072 147 D CA 0.001 54.013 54.000 0.021 0.000 0.850 147 D CB 0.178 40.992 40.800 0.024 0.000 0.922 147 D HN 0.572 nan 8.370 nan 0.000 0.516 148 Q N 0.929 120.733 119.800 0.007 0.000 2.259 148 Q HA 0.324 4.665 4.340 0.001 0.000 0.246 148 Q C -2.414 173.584 176.000 -0.004 0.000 0.920 148 Q CA -1.956 53.849 55.803 0.004 0.000 0.895 148 Q CB 1.181 29.921 28.738 0.003 0.000 1.220 148 Q HN 0.012 nan 8.270 nan 0.000 0.439 149 P HA 0.197 nan 4.420 nan 0.000 0.285 149 P C -1.224 176.071 177.300 -0.007 0.000 1.259 149 P CA -0.481 62.617 63.100 -0.003 0.000 0.794 149 P CB 0.678 32.381 31.700 0.004 0.000 0.940 150 R N 3.100 123.592 120.500 -0.014 0.000 2.488 150 R HA 0.057 4.398 4.340 0.001 0.000 0.317 150 R C 0.402 176.698 176.300 -0.006 0.000 0.941 150 R CA 0.684 56.774 56.100 -0.017 0.000 1.076 150 R CB -0.201 30.087 30.300 -0.020 0.000 0.917 150 R HN 0.537 nan 8.270 nan 0.000 0.407 151 K N 1.125 121.523 120.400 -0.003 0.000 2.350 151 K HA 0.740 5.060 4.320 0.001 0.000 0.241 151 K C -0.828 175.775 176.600 0.006 0.000 0.994 151 K CA -0.993 55.298 56.287 0.007 0.000 0.839 151 K CB 2.243 34.752 32.500 0.015 0.000 1.244 151 K HN 0.515 nan 8.250 nan 0.000 0.443 152 A N 1.434 124.264 122.820 0.015 0.000 2.359 152 A HA 0.295 4.615 4.320 0.001 0.000 0.303 152 A C -1.273 176.329 177.584 0.031 0.000 1.066 152 A CA -0.833 51.214 52.037 0.016 0.000 0.730 152 A CB 0.773 19.778 19.000 0.007 0.000 1.211 152 A HN 0.664 nan 8.150 nan 0.000 0.439 153 D N 1.914 122.334 120.400 0.033 0.000 2.371 153 D HA 0.330 4.971 4.640 0.001 0.000 0.256 153 D C -0.440 175.895 176.300 0.060 0.000 1.193 153 D CA 0.617 54.645 54.000 0.046 0.000 0.881 153 D CB 1.418 42.247 40.800 0.048 0.000 1.143 153 D HN 0.178 nan 8.370 nan 0.000 0.473 154 V N 5.169 125.125 119.914 0.070 0.000 2.326 154 V HA 0.307 4.428 4.120 0.001 0.000 0.281 154 V C 0.502 176.650 176.094 0.089 0.000 1.015 154 V CA -0.715 61.655 62.300 0.116 0.000 0.823 154 V CB 1.075 32.996 31.823 0.162 0.000 1.009 154 V HN 0.332 nan 8.190 nan 0.000 0.436 155 I N 6.018 126.656 120.570 0.112 0.000 2.297 155 I HA 0.439 4.609 4.170 0.001 0.000 0.291 155 I C 0.047 176.195 176.117 0.053 0.000 1.033 155 I CA 0.003 61.345 61.300 0.070 0.000 1.253 155 I CB 1.122 39.186 38.000 0.106 0.000 1.396 155 I HN 0.467 nan 8.210 nan 0.000 0.476 156 M N 6.179 125.732 119.600 -0.079 0.000 2.598 156 M HA 0.475 4.956 4.480 0.001 0.000 0.317 156 M C -0.959 175.236 176.300 -0.175 0.000 1.201 156 M CA -0.882 54.298 55.300 -0.200 0.000 0.971 156 M CB 2.299 34.695 32.600 -0.339 0.000 1.657 156 M HN 0.334 nan 8.290 nan 0.000 0.470 157 L N 2.123 123.227 121.223 -0.198 0.000 2.353 157 L HA 0.360 4.701 4.340 0.001 0.000 0.270 157 L C -1.142 175.629 176.870 -0.165 0.000 1.003 157 L CA -0.185 54.571 54.840 -0.140 0.000 0.862 157 L CB 0.804 42.815 42.059 -0.080 0.000 1.221 157 L HN 0.498 nan 8.230 nan 0.000 0.430 158 D N 4.130 124.451 120.400 -0.133 0.000 2.468 158 D HA 0.489 5.129 4.640 0.001 0.000 0.218 158 D C 1.148 177.425 176.300 -0.039 0.000 1.155 158 D CA 1.016 54.952 54.000 -0.107 0.000 0.924 158 D CB 0.582 41.344 40.800 -0.065 0.000 1.029 158 D HN 0.806 nan 8.370 nan 0.000 0.515 159 G N 5.230 113.989 108.800 -0.069 0.000 4.430 159 G HA2 -0.405 3.556 3.960 0.001 0.000 0.332 159 G HA3 -0.405 3.556 3.960 0.001 0.000 0.332 159 G C 0.910 175.742 174.900 -0.113 0.000 1.338 159 G CA 1.065 46.126 45.100 -0.065 0.000 1.024 159 G HN 0.648 nan 8.290 nan 0.000 0.750 160 K N 0.447 120.724 120.400 -0.205 0.000 2.477 160 K HA 0.297 4.618 4.320 0.001 0.000 0.208 160 K C 0.323 176.675 176.600 -0.413 0.000 1.117 160 K CA -0.064 56.042 56.287 -0.301 0.000 1.039 160 K CB 0.289 32.582 32.500 -0.345 0.000 0.937 160 K HN 0.613 nan 8.250 nan 0.000 0.570 161 H N 1.370 120.348 119.070 -0.153 0.000 2.487 161 H HA 0.244 4.800 4.556 0.000 0.000 0.333 161 H C -0.183 175.030 175.328 -0.191 0.000 1.114 161 H CA -0.611 55.328 56.048 -0.181 0.000 1.310 161 H CB 1.385 31.061 29.762 -0.144 0.000 1.462 161 H HN 0.021 nan 8.280 nan 0.000 0.516 162 I N 4.123 124.619 120.570 -0.122 0.000 2.396 162 I HA 0.208 4.378 4.170 0.001 0.000 0.292 162 I C 0.515 176.521 176.117 -0.185 0.000 0.999 162 I CA -0.306 60.886 61.300 -0.180 0.000 1.310 162 I CB 0.814 38.616 38.000 -0.329 0.000 1.404 162 I HN 0.418 nan 8.210 nan 0.000 0.496 163 I N 5.387 125.828 120.570 -0.215 0.000 2.533 163 I HA 0.279 4.449 4.170 0.001 0.000 0.290 163 I C -0.123 175.821 176.117 -0.289 0.000 1.056 163 I CA -0.549 60.562 61.300 -0.315 0.000 1.057 163 I CB 2.051 39.725 38.000 -0.543 0.000 1.240 163 I HN 0.435 nan 8.210 nan 0.000 0.423 164 E N 5.339 125.403 120.200 -0.227 0.000 2.055 164 E HA 0.608 4.959 4.350 0.001 0.000 0.274 164 E C -0.706 175.800 176.600 -0.158 0.000 0.949 164 E CA -0.549 55.779 56.400 -0.120 0.000 0.775 164 E CB 1.651 31.346 29.700 -0.009 0.000 1.097 164 E HN 0.651 nan 8.360 nan 0.000 0.404 165 A N 2.885 125.610 122.820 -0.158 0.000 2.312 165 A HA 0.621 4.942 4.320 0.001 0.000 0.328 165 A C -0.427 177.177 177.584 0.034 0.000 1.158 165 A CA -0.590 51.407 52.037 -0.066 0.000 0.821 165 A CB 1.156 20.105 19.000 -0.086 0.000 1.170 165 A HN 0.399 nan 8.150 nan 0.000 0.490 166 V N 2.163 122.123 119.914 0.077 0.000 2.540 166 V HA 0.582 4.702 4.120 0.001 0.000 0.302 166 V C -0.194 175.952 176.094 0.086 0.000 1.035 166 V CA -0.502 61.841 62.300 0.071 0.000 0.873 166 V CB 1.501 33.360 31.823 0.060 0.000 0.992 166 V HN 1.035 nan 8.190 nan 0.000 0.428 167 V N 0.383 120.338 119.914 0.068 0.000 2.555 167 V HA 0.683 4.804 4.120 0.001 0.000 0.302 167 V C -0.637 175.480 176.094 0.039 0.000 1.038 167 V CA -0.626 61.711 62.300 0.062 0.000 0.887 167 V CB 1.965 33.822 31.823 0.058 0.000 0.991 167 V HN 0.799 nan 8.190 nan 0.000 0.434 168 D N 3.415 123.837 120.400 0.035 0.000 2.347 168 D HA 0.377 5.017 4.640 0.001 0.000 0.235 168 D C 0.761 177.070 176.300 0.015 0.000 1.149 168 D CA -0.148 53.866 54.000 0.023 0.000 0.850 168 D CB 1.571 42.385 40.800 0.023 0.000 1.061 168 D HN 0.642 nan 8.370 nan 0.000 0.487 169 L N 2.933 124.161 121.223 0.007 0.000 2.209 169 L HA -0.050 4.290 4.340 0.001 0.000 0.207 169 L C 2.430 179.300 176.870 -0.000 0.000 1.094 169 L CA 0.417 55.257 54.840 0.001 0.000 0.790 169 L CB -0.190 41.865 42.059 -0.005 0.000 0.932 169 L HN 0.501 nan 8.230 nan 0.000 0.447 170 Q N 0.546 120.347 119.800 0.001 0.000 2.084 170 Q HA -0.176 4.164 4.340 0.001 0.000 0.202 170 Q C 1.246 177.248 176.000 0.003 0.000 0.978 170 Q CA 1.499 57.302 55.803 0.001 0.000 0.844 170 Q CB 0.221 28.960 28.738 0.002 0.000 0.898 170 Q HN 0.471 nan 8.270 nan 0.000 0.426 171 N N 0.392 119.096 118.700 0.006 0.000 2.203 171 N HA -0.007 4.734 4.740 0.001 0.000 0.207 171 N C -0.425 175.090 175.510 0.008 0.000 1.130 171 N CA 0.175 53.229 53.050 0.007 0.000 0.861 171 N CB 0.456 38.949 38.487 0.010 0.000 1.005 171 N HN 0.246 nan 8.380 nan 0.000 0.507 172 N N 1.491 120.195 118.700 0.007 0.000 2.721 172 N HA -0.215 4.525 4.740 0.001 0.000 0.249 172 N C -0.997 174.520 175.510 0.011 0.000 1.072 172 N CA 0.935 53.988 53.050 0.006 0.000 0.710 172 N CB -0.979 37.509 38.487 0.000 0.000 0.993 172 N HN 0.533 nan 8.380 nan 0.000 0.547 173 K N -1.246 119.165 120.400 0.019 0.000 2.385 173 K HA 0.574 4.895 4.320 0.001 0.000 0.248 173 K C -0.551 176.076 176.600 0.045 0.000 0.955 173 K CA -1.254 55.050 56.287 0.027 0.000 0.816 173 K CB 1.621 34.135 32.500 0.024 0.000 1.250 173 K HN 0.008 nan 8.250 nan 0.000 0.434 174 L N 3.397 124.656 121.223 0.061 0.000 2.410 174 L HA 0.131 4.471 4.340 0.001 0.000 0.273 174 L C 0.209 177.132 176.870 0.090 0.000 1.144 174 L CA 0.104 55.003 54.840 0.098 0.000 0.863 174 L CB 0.260 42.398 42.059 0.131 0.000 1.140 174 L HN 0.874 nan 8.230 nan 0.000 0.463 175 L N 3.043 124.323 121.223 0.095 0.000 2.357 175 L HA 0.237 4.577 4.340 0.001 0.000 0.211 175 L C 0.473 177.403 176.870 0.099 0.000 1.075 175 L CA 0.609 55.496 54.840 0.079 0.000 0.830 175 L CB -0.074 42.022 42.059 0.062 0.000 0.996 175 L HN 0.860 nan 8.230 nan 0.000 0.467 176 S N -2.523 113.259 115.700 0.138 0.000 2.587 176 S HA 0.378 4.849 4.470 0.001 0.000 0.269 176 S C -1.940 172.819 174.600 0.264 0.000 1.154 176 S CA -0.747 57.553 58.200 0.166 0.000 0.824 176 S CB 2.071 65.337 63.200 0.109 0.000 1.118 176 S HN 0.203 nan 8.310 nan 0.000 0.462 177 W N 1.993 123.315 121.300 0.037 0.000 2.527 177 W HA 0.375 5.035 4.660 0.001 0.000 0.293 177 W C -1.845 174.689 176.519 0.025 0.000 1.036 177 W CA -0.106 57.263 57.345 0.040 0.000 1.233 177 W CB 1.385 30.870 29.460 0.041 0.000 1.116 177 W HN 0.777 nan 8.180 nan 0.000 0.335 178 Q N 5.588 125.376 119.800 -0.019 0.000 2.381 178 Q HA 0.359 4.699 4.340 0.001 0.000 0.263 178 Q C -2.274 173.676 176.000 -0.083 0.000 1.030 178 Q CA -1.935 53.872 55.803 0.006 0.000 0.772 178 Q CB 2.222 30.970 28.738 0.016 0.000 1.232 178 Q HN 0.141 nan 8.270 nan 0.000 0.476 179 P HA 0.129 nan 4.420 nan 0.000 0.268 179 P C -0.450 176.804 177.300 -0.077 0.000 1.204 179 P CA -0.002 63.056 63.100 -0.070 0.000 0.768 179 P CB 0.674 32.362 31.700 -0.020 0.000 0.842 180 I N 3.197 123.693 120.570 -0.124 0.000 2.382 180 I HA 0.195 4.365 4.170 0.001 0.000 0.285 180 I C 0.716 176.743 176.117 -0.149 0.000 1.007 180 I CA -1.334 59.877 61.300 -0.148 0.000 1.142 180 I CB 0.876 38.719 38.000 -0.262 0.000 1.289 180 I HN 0.274 nan 8.210 nan 0.000 0.453 181 K N 5.039 125.383 120.400 -0.095 0.000 2.326 181 K HA 0.175 4.496 4.320 0.001 0.000 0.275 181 K C 0.010 176.551 176.600 -0.099 0.000 1.018 181 K CA -0.192 56.051 56.287 -0.075 0.000 0.962 181 K CB 1.092 33.566 32.500 -0.043 0.000 0.953 181 K HN 0.519 nan 8.250 nan 0.000 0.475 182 D N -1.434 118.900 120.400 -0.109 0.000 2.495 182 D HA -0.181 4.459 4.640 0.001 0.000 0.175 182 D C -0.072 176.129 176.300 -0.164 0.000 1.040 182 D CA 1.995 55.928 54.000 -0.112 0.000 1.049 182 D CB -1.135 39.640 40.800 -0.041 0.000 1.105 182 D HN 0.847 nan 8.370 nan 0.000 0.457 183 A N 1.115 123.792 122.820 -0.239 0.000 2.450 183 A HA 0.342 4.663 4.320 0.001 0.000 0.255 183 A C 0.175 177.559 177.584 -0.334 0.000 1.096 183 A CA 0.301 52.149 52.037 -0.314 0.000 0.778 183 A CB 0.293 18.865 19.000 -0.713 0.000 1.031 183 A HN 0.242 nan 8.150 nan 0.000 0.494 184 H N 1.204 120.188 119.070 -0.143 0.000 2.463 184 H HA 0.422 4.978 4.556 0.001 0.000 0.332 184 H C 0.893 176.191 175.328 -0.049 0.000 1.127 184 H CA 0.456 56.439 56.048 -0.109 0.000 1.238 184 H CB 1.761 31.473 29.762 -0.084 0.000 1.478 184 H HN 0.871 nan 8.280 nan 0.000 0.499 185 G N 2.104 110.930 108.800 0.043 0.000 2.539 185 G HA2 0.305 4.266 3.960 0.001 0.000 0.258 185 G HA3 0.305 4.266 3.960 0.001 0.000 0.258 185 G C 0.673 175.594 174.900 0.034 0.000 1.202 185 G CA -0.699 44.434 45.100 0.054 0.000 0.851 185 G HN 0.639 nan 8.290 nan 0.000 0.556 186 M N 0.205 119.815 119.600 0.017 0.000 2.167 186 M HA 0.392 4.872 4.480 0.001 0.000 0.300 186 M C -0.149 176.095 176.300 -0.092 0.000 1.171 186 M CA -0.420 54.849 55.300 -0.052 0.000 1.171 186 M CB 0.369 32.942 32.600 -0.044 0.000 1.396 186 M HN 0.112 nan 8.290 nan 0.000 0.466 187 V N 2.595 122.392 119.914 -0.195 0.000 2.572 187 V HA 0.196 4.317 4.120 0.001 0.000 0.291 187 V C 0.495 176.556 176.094 -0.055 0.000 1.039 187 V CA -0.108 62.081 62.300 -0.185 0.000 1.055 187 V CB 0.198 31.786 31.823 -0.393 0.000 0.969 187 V HN 0.652 nan 8.190 nan 0.000 0.482 188 L N 3.728 124.929 121.223 -0.038 0.000 2.331 188 L HA 0.404 4.745 4.340 0.001 0.000 0.268 188 L C 1.080 177.887 176.870 -0.105 0.000 1.015 188 L CA -0.794 53.985 54.840 -0.102 0.000 0.807 188 L CB 1.228 43.171 42.059 -0.193 0.000 1.293 188 L HN 0.491 nan 8.230 nan 0.000 0.451 189 L N 1.171 122.170 121.223 -0.374 0.000 2.046 189 L HA -0.192 4.149 4.340 0.001 0.000 0.208 189 L C 2.089 178.855 176.870 -0.172 0.000 1.077 189 L CA 1.930 56.595 54.840 -0.292 0.000 0.747 189 L CB -0.626 41.237 42.059 -0.327 0.000 0.896 189 L HN 0.845 nan 8.230 nan 0.000 0.432 190 D N -2.013 118.162 120.400 -0.377 0.000 2.310 190 D HA -0.209 4.431 4.640 0.001 0.000 0.212 190 D C 1.386 177.680 176.300 -0.009 0.000 0.965 190 D CA 0.902 54.842 54.000 -0.101 0.000 0.879 190 D CB -0.527 40.258 40.800 -0.025 0.000 0.921 190 D HN 0.366 nan 8.370 nan 0.000 0.510 191 D N 0.099 120.499 120.400 0.000 0.000 2.117 191 D HA -0.108 4.533 4.640 0.001 0.000 0.198 191 D C 1.794 178.124 176.300 0.050 0.000 0.982 191 D CA 0.633 54.640 54.000 0.011 0.000 0.828 191 D CB -0.501 40.287 40.800 -0.020 0.000 0.967 191 D HN 0.207 nan 8.370 nan 0.000 0.464 192 F N 1.602 121.520 119.950 -0.053 0.000 2.069 192 F HA -0.171 4.357 4.527 0.000 0.000 0.298 192 F C 2.531 178.311 175.800 -0.033 0.000 1.113 192 F CA 1.176 59.166 58.000 -0.017 0.000 1.214 192 F CB -0.902 38.110 39.000 0.020 0.000 0.978 192 F HN -0.078 nan 8.300 nan 0.000 0.474 193 A N -1.247 121.676 122.820 0.173 0.000 1.902 193 A HA -0.198 4.123 4.320 0.001 0.000 0.217 193 A C 2.404 180.002 177.584 0.024 0.000 1.181 193 A CA 1.992 54.077 52.037 0.080 0.000 0.623 193 A CB -1.280 17.762 19.000 0.069 0.000 0.818 193 A HN 0.326 nan 8.150 nan 0.000 0.443 194 S N -0.734 114.973 115.700 0.012 0.000 2.359 194 S HA -0.142 4.329 4.470 0.001 0.000 0.224 194 S C 1.938 176.502 174.600 -0.061 0.000 1.035 194 S CA 1.608 59.794 58.200 -0.023 0.000 1.018 194 S CB -0.470 62.714 63.200 -0.027 0.000 0.876 194 S HN 0.312 nan 8.310 nan 0.000 0.448 195 V N 1.513 121.377 119.914 -0.082 0.000 2.332 195 V HA -0.183 3.937 4.120 0.001 0.000 0.248 195 V C 2.618 178.622 176.094 -0.151 0.000 1.055 195 V CA 2.292 64.511 62.300 -0.135 0.000 1.038 195 V CB -0.812 30.906 31.823 -0.174 0.000 0.651 195 V HN 0.505 nan 8.190 nan 0.000 0.450 196 Q N 0.415 120.150 119.800 -0.109 0.000 2.170 196 Q HA -0.195 4.145 4.340 0.001 0.000 0.203 196 Q C 1.898 177.830 176.000 -0.113 0.000 0.976 196 Q CA 2.217 57.951 55.803 -0.115 0.000 0.858 196 Q CB -0.405 28.297 28.738 -0.060 0.000 0.907 196 Q HN 0.688 nan 8.270 nan 0.000 0.433 197 N N -0.654 117.997 118.700 -0.082 0.000 2.135 197 N HA -0.022 4.719 4.740 0.001 0.000 0.186 197 N C 1.442 176.899 175.510 -0.089 0.000 1.027 197 N CA 1.440 54.450 53.050 -0.067 0.000 0.849 197 N CB -0.083 38.380 38.487 -0.041 0.000 1.002 197 N HN 0.298 nan 8.380 nan 0.000 0.425 198 I N -0.077 120.428 120.570 -0.107 0.000 2.208 198 I HA -0.259 3.912 4.170 0.001 0.000 0.245 198 I C 1.586 177.601 176.117 -0.170 0.000 1.097 198 I CA 0.818 62.046 61.300 -0.119 0.000 1.363 198 I CB -0.211 37.714 38.000 -0.124 0.000 1.051 198 I HN 0.147 nan 8.210 nan 0.000 0.413 199 I N 1.016 121.425 120.570 -0.269 0.000 2.286 199 I HA -0.265 3.905 4.170 0.001 0.000 0.248 199 I C 2.025 177.999 176.117 -0.237 0.000 1.115 199 I CA 1.539 62.571 61.300 -0.447 0.000 1.392 199 I CB -0.650 36.916 38.000 -0.723 0.000 1.065 199 I HN 0.209 nan 8.210 nan 0.000 0.418 200 N N 0.381 118.993 118.700 -0.147 0.000 2.381 200 N HA -0.103 4.638 4.740 0.001 0.000 0.182 200 N C 1.111 176.601 175.510 -0.034 0.000 1.025 200 N CA 0.992 54.003 53.050 -0.065 0.000 0.888 200 N CB -0.486 37.969 38.487 -0.053 0.000 0.965 200 N HN 0.486 nan 8.380 nan 0.000 0.438 201 N N -1.060 117.612 118.700 -0.047 0.000 2.270 201 N HA 0.058 4.798 4.740 0.001 0.000 0.198 201 N C -0.490 175.012 175.510 -0.013 0.000 1.117 201 N CA -0.149 52.886 53.050 -0.025 0.000 0.845 201 N CB 0.444 38.913 38.487 -0.030 0.000 0.980 201 N HN -0.090 nan 8.380 nan 0.000 0.486 202 S N 1.253 116.949 115.700 -0.007 0.000 2.430 202 S HA 0.043 4.514 4.470 0.001 0.000 0.289 202 S C 1.260 175.903 174.600 0.071 0.000 1.143 202 S CA -0.751 57.466 58.200 0.030 0.000 1.067 202 S CB 0.627 63.851 63.200 0.039 0.000 0.964 202 S HN 0.225 nan 8.310 nan 0.000 0.485 203 E N 5.189 125.417 120.200 0.048 0.000 2.072 203 E HA -0.170 4.181 4.350 0.001 0.000 0.190 203 E C 1.180 177.810 176.600 0.050 0.000 0.982 203 E CA 1.278 57.703 56.400 0.041 0.000 0.803 203 E CB -0.622 29.091 29.700 0.021 0.000 0.755 203 E HN 0.854 nan 8.360 nan 0.000 0.453 204 E N 0.045 120.278 120.200 0.055 0.000 2.051 204 E HA -0.118 4.232 4.350 0.001 0.000 0.192 204 E C 1.932 178.565 176.600 0.055 0.000 0.991 204 E CA 1.151 57.576 56.400 0.042 0.000 0.799 204 E CB -0.371 29.352 29.700 0.039 0.000 0.748 204 E HN 0.229 nan 8.360 nan 0.000 0.449 205 F N 1.335 121.266 119.950 -0.032 0.000 2.134 205 F HA -0.187 4.341 4.527 0.001 0.000 0.299 205 F C 2.216 177.997 175.800 -0.031 0.000 1.097 205 F CA 1.386 59.364 58.000 -0.036 0.000 1.264 205 F CB -0.172 38.803 39.000 -0.043 0.000 1.001 205 F HN -0.047 nan 8.300 nan 0.000 0.479 206 A N -0.011 122.908 122.820 0.165 0.000 1.972 206 A HA -0.045 4.276 4.320 0.001 0.000 0.219 206 A C 2.335 179.903 177.584 -0.027 0.000 1.169 206 A CA 1.591 53.675 52.037 0.077 0.000 0.635 206 A CB -1.373 17.675 19.000 0.080 0.000 0.810 206 A HN 0.471 nan 8.150 nan 0.000 0.446 207 A N -0.140 122.658 122.820 -0.037 0.000 1.872 207 A HA 0.259 4.579 4.320 0.001 0.000 0.214 207 A C 2.512 180.032 177.584 -0.106 0.000 1.187 207 A CA 1.765 53.769 52.037 -0.055 0.000 0.614 207 A CB -1.051 17.928 19.000 -0.035 0.000 0.826 207 A HN 1.011 nan 8.150 nan 0.000 0.442 208 A N -0.509 122.209 122.820 -0.170 0.000 1.908 208 A HA -0.053 4.268 4.320 0.001 0.000 0.218 208 A C 2.204 179.629 177.584 -0.264 0.000 1.181 208 A CA 1.877 53.776 52.037 -0.231 0.000 0.627 208 A CB -0.963 17.840 19.000 -0.328 0.000 0.818 208 A HN 0.400 nan 8.150 nan 0.000 0.445 209 V N 0.101 119.811 119.914 -0.339 0.000 2.490 209 V HA -0.221 3.899 4.120 0.001 0.000 0.250 209 V C 2.548 178.569 176.094 -0.122 0.000 1.061 209 V CA 2.205 64.352 62.300 -0.254 0.000 1.064 209 V CB -0.509 31.189 31.823 -0.207 0.000 0.670 209 V HN 0.565 nan 8.190 nan 0.000 0.461 210 K N 0.175 120.519 120.400 -0.093 0.000 2.031 210 K HA -0.150 4.170 4.320 0.001 0.000 0.205 210 K C 2.248 178.818 176.600 -0.050 0.000 1.049 210 K CA 1.029 57.284 56.287 -0.053 0.000 0.939 210 K CB -0.077 32.401 32.500 -0.038 0.000 0.717 210 K HN 0.369 nan 8.250 nan 0.000 0.438 211 K N 0.502 120.864 120.400 -0.062 0.000 2.113 211 K HA -0.176 4.145 4.320 0.001 0.000 0.208 211 K C 1.658 178.231 176.600 -0.045 0.000 1.047 211 K CA 1.285 57.541 56.287 -0.051 0.000 0.928 211 K CB -0.279 32.185 32.500 -0.060 0.000 0.716 211 K HN 0.202 nan 8.250 nan 0.000 0.446 212 R N 0.197 120.661 120.500 -0.058 0.000 2.423 212 R HA 0.072 4.413 4.340 0.001 0.000 0.248 212 R C 0.764 177.050 176.300 -0.023 0.000 1.019 212 R CA 0.403 56.477 56.100 -0.043 0.000 1.119 212 R CB 0.002 30.265 30.300 -0.063 0.000 1.176 212 R HN 0.461 nan 8.270 nan 0.000 0.526 213 G N 0.995 109.783 108.800 -0.020 0.000 2.179 213 G HA2 -0.264 3.696 3.960 0.001 0.000 0.260 213 G HA3 -0.264 3.696 3.960 0.001 0.000 0.260 213 G C 0.035 174.933 174.900 -0.003 0.000 0.977 213 G CA -0.330 44.766 45.100 -0.006 0.000 0.641 213 G HN 0.192 nan 8.290 nan 0.000 0.533 214 I N 2.355 122.918 120.570 -0.012 0.000 2.436 214 I HA 0.344 4.515 4.170 0.001 0.000 0.289 214 I C 1.872 177.986 176.117 -0.005 0.000 1.083 214 I CA 0.741 62.038 61.300 -0.005 0.000 1.372 214 I CB 1.250 39.245 38.000 -0.008 0.000 1.408 214 I HN 0.287 nan 8.210 nan 0.000 0.516 215 T N 0.281 114.835 114.554 -0.000 0.000 3.035 215 T HA 0.065 4.416 4.350 0.001 0.000 0.259 215 T C 0.531 175.232 174.700 0.002 0.000 1.078 215 T CA 0.223 62.322 62.100 -0.000 0.000 1.132 215 T CB 0.017 68.886 68.868 0.001 0.000 0.900 215 T HN 0.458 nan 8.240 nan 0.000 0.480 216 D N 0.320 120.723 120.400 0.005 0.000 2.549 216 D HA 0.649 5.290 4.640 0.001 0.000 0.251 216 D C 0.755 177.064 176.300 0.015 0.000 1.153 216 D CA -0.447 53.557 54.000 0.007 0.000 0.861 216 D CB 1.715 42.517 40.800 0.004 0.000 1.207 216 D HN 0.097 nan 8.370 nan 0.000 0.543 217 A N 4.079 126.913 122.820 0.023 0.000 1.970 217 A HA -0.075 4.246 4.320 0.001 0.000 0.216 217 A C 1.769 179.374 177.584 0.035 0.000 1.170 217 A CA 0.927 52.991 52.037 0.044 0.000 0.645 217 A CB -0.130 18.908 19.000 0.064 0.000 0.816 217 A HN 0.490 nan 8.150 nan 0.000 0.447 218 K N 0.562 120.973 120.400 0.018 0.000 2.362 218 K HA -0.108 4.213 4.320 0.001 0.000 0.202 218 K C 1.355 177.954 176.600 -0.001 0.000 1.045 218 K CA 1.294 57.584 56.287 0.006 0.000 0.936 218 K CB -0.133 32.368 32.500 0.002 0.000 0.747 218 K HN 0.479 nan 8.250 nan 0.000 0.467 219 K N 0.156 120.558 120.400 0.004 0.000 2.417 219 K HA 0.115 4.435 4.320 0.001 0.000 0.196 219 K C -0.508 176.092 176.600 -0.000 0.000 1.023 219 K CA -0.025 56.260 56.287 -0.003 0.000 1.122 219 K CB 0.687 33.186 32.500 -0.001 0.000 0.850 219 K HN -0.130 nan 8.250 nan 0.000 0.521 220 V N 2.692 122.613 119.914 0.012 0.000 2.389 220 V HA 0.105 4.226 4.120 0.001 0.000 0.264 220 V C -0.019 176.052 176.094 -0.038 0.000 1.049 220 V CA -0.448 61.869 62.300 0.027 0.000 0.932 220 V CB 0.478 32.365 31.823 0.107 0.000 1.011 220 V HN 0.079 nan 8.190 nan 0.000 0.475 221 I N 5.972 126.487 120.570 -0.092 0.000 2.337 221 I HA 0.263 4.434 4.170 0.001 0.000 0.291 221 I C 1.005 177.018 176.117 -0.173 0.000 1.046 221 I CA 0.611 61.755 61.300 -0.260 0.000 1.324 221 I CB 1.487 39.088 38.000 -0.665 0.000 1.409 221 I HN 0.774 nan 8.210 nan 0.000 0.494 222 T N 1.471 115.927 114.554 -0.163 0.000 2.881 222 T HA 0.708 5.058 4.350 0.001 0.000 0.278 222 T C -0.003 174.651 174.700 -0.077 0.000 0.982 222 T CA -0.655 61.380 62.100 -0.110 0.000 0.989 222 T CB 1.690 70.462 68.868 -0.160 0.000 1.058 222 T HN 0.550 nan 8.240 nan 0.000 0.529 223 T N 2.088 116.627 114.554 -0.024 0.000 3.193 223 T HA 0.557 4.908 4.350 0.001 0.000 0.332 223 T C -3.217 171.460 174.700 -0.039 0.000 1.208 223 T CA -1.207 60.916 62.100 0.037 0.000 1.080 223 T CB 1.858 70.874 68.868 0.247 0.000 1.180 223 T HN 0.629 nan 8.240 nan 0.000 0.469 224 P HA 0.626 nan 4.420 nan 0.000 0.300 224 P C -1.268 176.006 177.300 -0.044 0.000 1.326 224 P CA -0.624 62.338 63.100 -0.230 0.000 0.844 224 P CB 1.049 32.421 31.700 -0.547 0.000 0.992 225 L N 2.024 123.232 121.223 -0.025 0.000 2.370 225 L HA 0.559 4.899 4.340 0.001 0.000 0.266 225 L C 0.957 177.806 176.870 -0.035 0.000 1.002 225 L CA -0.813 54.040 54.840 0.022 0.000 0.818 225 L CB 2.099 44.166 42.059 0.014 0.000 1.325 225 L HN 0.311 nan 8.230 nan 0.000 0.418 226 T N -1.726 112.807 114.554 -0.035 0.000 2.868 226 T HA 0.250 4.601 4.350 0.001 0.000 0.292 226 T C 0.974 175.674 174.700 -0.001 0.000 1.028 226 T CA -0.313 61.747 62.100 -0.068 0.000 1.059 226 T CB 1.558 70.384 68.868 -0.070 0.000 0.991 226 T HN 0.510 nan 8.240 nan 0.000 0.531 227 V N -1.518 118.369 119.914 -0.045 0.000 3.431 227 V HA 0.566 4.686 4.120 0.001 0.000 0.253 227 V C 1.418 177.594 176.094 0.137 0.000 1.184 227 V CA 0.899 63.184 62.300 -0.025 0.000 1.104 227 V CB -1.362 30.362 31.823 -0.164 0.000 0.799 227 V HN 1.628 nan 8.190 nan 0.000 0.462 228 G N 0.314 109.145 108.800 0.051 0.000 2.520 228 G HA2 -0.226 3.734 3.960 0.001 0.000 0.248 228 G HA3 -0.226 3.734 3.960 0.001 0.000 0.248 228 G C -0.538 174.369 174.900 0.013 0.000 1.161 228 G CA 0.457 45.572 45.100 0.025 0.000 0.946 228 G HN 1.619 nan 8.290 nan 0.000 0.565 229 Y N -0.728 119.349 120.300 -0.371 0.000 2.376 229 Y HA 0.586 5.136 4.550 0.001 0.000 0.321 229 Y C -0.988 174.404 175.900 -0.847 0.000 1.189 229 Y CA -1.078 56.756 58.100 -0.444 0.000 1.069 229 Y CB 0.858 39.072 38.460 -0.410 0.000 1.292 229 Y HN 0.648 nan 8.280 nan 0.000 0.430 230 F N 4.139 123.496 119.950 -0.988 0.000 2.811 230 F HA 0.231 4.759 4.527 0.001 0.000 0.342 230 F C 0.472 175.683 175.800 -0.981 0.000 1.203 230 F CA -0.543 56.994 58.000 -0.772 0.000 1.173 230 F CB 0.573 39.463 39.000 -0.183 0.000 1.094 230 F HN 0.582 nan 8.300 nan 0.000 0.510 231 D N 1.219 120.566 120.400 -1.756 0.000 2.751 231 D HA -0.200 4.441 4.640 0.001 0.000 0.233 231 D C 1.416 177.488 176.300 -0.380 0.000 1.149 231 D CA 1.580 54.990 54.000 -0.984 0.000 0.682 231 D CB -0.906 39.676 40.800 -0.364 0.000 1.068 231 D HN 0.784 nan 8.370 nan 0.000 0.429 232 G N -0.547 108.042 108.800 -0.352 0.000 2.225 232 G HA2 -0.432 3.528 3.960 0.001 0.000 0.254 232 G HA3 -0.432 3.528 3.960 0.001 0.000 0.254 232 G C 1.193 176.040 174.900 -0.088 0.000 0.988 232 G CA 0.731 45.741 45.100 -0.150 0.000 0.625 232 G HN 0.542 nan 8.290 nan 0.000 0.527 233 K N 0.619 120.978 120.400 -0.068 0.000 2.211 233 K HA -0.089 4.231 4.320 0.001 0.000 0.204 233 K C 1.944 178.498 176.600 -0.076 0.000 1.047 233 K CA 1.581 57.846 56.287 -0.037 0.000 0.935 233 K CB -0.159 32.353 32.500 0.021 0.000 0.728 233 K HN 0.680 nan 8.250 nan 0.000 0.452 234 D N -0.811 119.554 120.400 -0.058 0.000 2.355 234 D HA -0.007 4.634 4.640 0.001 0.000 0.218 234 D C 1.049 177.316 176.300 -0.055 0.000 1.004 234 D CA 0.772 54.737 54.000 -0.059 0.000 0.880 234 D CB -0.056 40.742 40.800 -0.003 0.000 0.911 234 D HN 0.210 nan 8.370 nan 0.000 0.528 235 G N 0.212 108.978 108.800 -0.058 0.000 2.149 235 G HA2 -0.222 3.738 3.960 0.001 0.000 0.235 235 G HA3 -0.222 3.738 3.960 0.001 0.000 0.235 235 G C -0.241 174.627 174.900 -0.053 0.000 1.018 235 G CA 0.133 45.201 45.100 -0.053 0.000 0.728 235 G HN 0.388 nan 8.290 nan 0.000 0.508 236 L N 0.478 121.667 121.223 -0.057 0.000 2.319 236 L HA 0.405 4.745 4.340 0.001 0.000 0.281 236 L C 0.879 177.724 176.870 -0.042 0.000 1.005 236 L CA -0.979 53.827 54.840 -0.056 0.000 0.828 236 L CB 1.712 43.730 42.059 -0.069 0.000 1.227 236 L HN 0.204 nan 8.230 nan 0.000 0.415 237 K N 2.499 122.880 120.400 -0.030 0.000 2.472 237 K HA -0.110 4.211 4.320 0.001 0.000 0.280 237 K C 0.895 177.501 176.600 0.010 0.000 1.028 237 K CA 0.015 56.296 56.287 -0.010 0.000 1.045 237 K CB 0.995 33.490 32.500 -0.010 0.000 0.902 237 K HN 0.550 nan 8.250 nan 0.000 0.478 238 Q N 3.138 122.961 119.800 0.038 0.000 2.291 238 Q HA -0.192 4.148 4.340 0.001 0.000 0.206 238 Q C 0.717 176.798 176.000 0.135 0.000 0.976 238 Q CA 2.417 58.270 55.803 0.084 0.000 0.875 238 Q CB 0.091 28.897 28.738 0.115 0.000 0.927 238 Q HN 0.837 nan 8.270 nan 0.000 0.450 239 D N -1.455 119.009 120.400 0.106 0.000 2.379 239 D HA 0.203 4.843 4.640 0.001 0.000 0.208 239 D C 0.064 176.431 176.300 0.113 0.000 1.065 239 D CA 0.357 54.427 54.000 0.116 0.000 0.848 239 D CB -0.161 40.655 40.800 0.026 0.000 0.949 239 D HN 0.252 nan 8.370 nan 0.000 0.509 240 A N 0.557 123.434 122.820 0.095 0.000 2.322 240 A HA 0.450 4.770 4.320 0.001 0.000 0.269 240 A C 0.223 177.883 177.584 0.127 0.000 1.094 240 A CA -0.679 51.390 52.037 0.053 0.000 0.807 240 A CB 0.337 19.335 19.000 -0.004 0.000 1.047 240 A HN 0.201 nan 8.150 nan 0.000 0.487 241 R N 1.898 122.431 120.500 0.055 0.000 2.272 241 R HA 0.451 4.792 4.340 0.001 0.000 0.334 241 R C -1.105 175.164 176.300 -0.051 0.000 1.117 241 R CA 0.048 56.172 56.100 0.041 0.000 0.966 241 R CB -0.349 29.949 30.300 -0.004 0.000 1.049 241 R HN 0.679 nan 8.270 nan 0.000 0.477 242 L N 5.018 126.180 121.223 -0.102 0.000 2.303 242 L HA 0.670 5.010 4.340 0.001 0.000 0.266 242 L C -0.560 176.217 176.870 -0.156 0.000 1.011 242 L CA -1.280 53.483 54.840 -0.129 0.000 0.818 242 L CB 1.842 43.818 42.059 -0.138 0.000 1.326 242 L HN 0.486 nan 8.230 nan 0.000 0.435 243 L N 0.977 122.101 121.223 -0.165 0.000 2.513 243 L HA 0.427 4.768 4.340 0.001 0.000 0.261 243 L C -0.877 175.874 176.870 -0.200 0.000 0.945 243 L CA -0.684 54.047 54.840 -0.181 0.000 0.848 243 L CB 2.722 44.672 42.059 -0.182 0.000 1.334 243 L HN 0.535 nan 8.230 nan 0.000 0.407 244 K N 1.312 121.575 120.400 -0.229 0.000 2.098 244 K HA 0.693 5.014 4.320 0.001 0.000 0.261 244 K C -1.093 175.413 176.600 -0.157 0.000 0.987 244 K CA -0.678 55.448 56.287 -0.268 0.000 0.916 244 K CB 2.291 34.461 32.500 -0.550 0.000 1.039 244 K HN 0.210 nan 8.250 nan 0.000 0.455 245 V N 4.285 124.120 119.914 -0.132 0.000 2.409 245 V HA 0.255 4.375 4.120 0.001 0.000 0.290 245 V C -0.542 175.518 176.094 -0.056 0.000 1.017 245 V CA -0.882 61.359 62.300 -0.099 0.000 0.841 245 V CB 1.273 33.010 31.823 -0.143 0.000 1.003 245 V HN 0.594 nan 8.190 nan 0.000 0.426 246 I N 3.454 123.991 120.570 -0.055 0.000 2.428 246 I HA 0.553 4.724 4.170 0.001 0.000 0.296 246 I C 0.532 176.542 176.117 -0.179 0.000 0.985 246 I CA 0.257 61.480 61.300 -0.130 0.000 1.260 246 I CB 1.861 39.767 38.000 -0.158 0.000 1.389 246 I HN 0.548 nan 8.210 nan 0.000 0.484 247 S N 5.022 120.536 115.700 -0.309 0.000 2.542 247 S HA 0.770 5.240 4.470 0.001 0.000 0.293 247 S C -1.157 173.146 174.600 -0.494 0.000 1.089 247 S CA -0.445 57.615 58.200 -0.232 0.000 0.961 247 S CB 1.954 65.184 63.200 0.050 0.000 1.062 247 S HN 0.352 nan 8.310 nan 0.000 0.483 248 Y N 0.417 120.726 120.300 0.015 0.000 2.634 248 Y HA 0.696 5.246 4.550 0.001 0.000 0.340 248 Y C -0.783 175.149 175.900 0.053 0.000 1.058 248 Y CA -1.189 56.959 58.100 0.079 0.000 1.081 248 Y CB 0.913 39.456 38.460 0.139 0.000 1.295 248 Y HN 0.458 nan 8.280 nan 0.000 0.487 249 L N 2.184 123.582 121.223 0.292 0.000 2.305 249 L HA 0.442 4.783 4.340 0.001 0.000 0.284 249 L C -0.843 176.091 176.870 0.107 0.000 1.013 249 L CA -0.563 54.364 54.840 0.145 0.000 0.819 249 L CB 0.839 42.958 42.059 0.100 0.000 1.227 249 L HN 0.603 nan 8.230 nan 0.000 0.417 250 D N 3.652 124.081 120.400 0.048 0.000 2.371 250 D HA 0.114 4.754 4.640 0.001 0.000 0.256 250 D C 0.289 176.555 176.300 -0.056 0.000 1.193 250 D CA 0.224 54.240 54.000 0.027 0.000 0.881 250 D CB 1.325 42.134 40.800 0.014 0.000 1.143 250 D HN 0.384 nan 8.370 nan 0.000 0.473 251 V N 3.079 122.915 119.914 -0.129 0.000 3.477 251 V HA 0.268 4.388 4.120 0.001 0.000 0.297 251 V C 1.623 177.667 176.094 -0.083 0.000 1.433 251 V CA 0.386 62.578 62.300 -0.180 0.000 1.052 251 V CB 0.166 31.723 31.823 -0.444 0.000 0.895 251 V HN 0.917 nan 8.190 nan 0.000 0.438 252 G N 2.108 110.886 108.800 -0.037 0.000 2.159 252 G HA2 -0.262 3.699 3.960 0.001 0.000 0.256 252 G HA3 -0.262 3.699 3.960 0.001 0.000 0.256 252 G C 0.473 175.362 174.900 -0.019 0.000 0.977 252 G CA 0.508 45.597 45.100 -0.019 0.000 0.652 252 G HN 0.677 nan 8.290 nan 0.000 0.531 253 D N -0.007 120.392 120.400 -0.001 0.000 2.339 253 D HA 0.355 4.995 4.640 0.001 0.000 0.217 253 D C 1.832 178.083 176.300 -0.081 0.000 1.050 253 D CA 0.631 54.627 54.000 -0.008 0.000 0.856 253 D CB -0.628 40.218 40.800 0.078 0.000 0.922 253 D HN 1.565 nan 8.370 nan 0.000 0.518 254 G N 0.720 109.486 108.800 -0.056 0.000 2.162 254 G HA2 -0.323 3.638 3.960 0.001 0.000 0.260 254 G HA3 -0.323 3.638 3.960 0.001 0.000 0.260 254 G C 0.172 174.996 174.900 -0.127 0.000 0.976 254 G CA 0.229 45.259 45.100 -0.117 0.000 0.655 254 G HN 0.564 nan 8.290 nan 0.000 0.533 255 N N -0.048 118.650 118.700 -0.003 0.000 2.752 255 N HA 0.370 5.110 4.740 0.001 0.000 0.260 255 N C 1.004 176.596 175.510 0.137 0.000 1.562 255 N CA -0.535 52.568 53.050 0.089 0.000 0.788 255 N CB -0.045 38.504 38.487 0.102 0.000 1.192 255 N HN 0.360 nan 8.380 nan 0.000 0.503 256 Y N -0.630 119.691 120.300 0.036 0.000 2.497 256 Y HA 0.087 4.638 4.550 0.001 0.000 0.292 256 Y C 1.131 176.944 175.900 -0.146 0.000 1.137 256 Y CA 0.309 58.406 58.100 -0.005 0.000 1.285 256 Y CB -0.676 37.656 38.460 -0.212 0.000 0.991 256 Y HN 0.261 nan 8.280 nan 0.000 0.556 257 W N 1.175 122.252 121.300 -0.372 0.000 2.392 257 W HA 0.029 4.689 4.660 0.001 0.000 0.279 257 W C 2.235 178.824 176.519 0.117 0.000 1.225 257 W CA 1.206 58.339 57.345 -0.353 0.000 1.233 257 W CB -0.250 29.016 29.460 -0.323 0.000 1.122 257 W HN 0.164 nan 8.180 nan 0.000 0.561 258 A N -0.491 122.475 122.820 0.244 0.000 2.276 258 A HA 0.046 4.366 4.320 0.001 0.000 0.212 258 A C 0.043 177.433 177.584 -0.323 0.000 1.230 258 A CA 0.424 52.545 52.037 0.140 0.000 0.844 258 A CB -0.762 18.169 19.000 -0.115 0.000 0.860 258 A HN 0.364 nan 8.150 nan 0.000 0.486 259 H N 0.135 119.467 119.070 0.437 0.000 2.514 259 H HA 0.201 4.757 4.556 0.001 0.000 0.226 259 H C -3.096 172.479 175.328 0.413 0.000 1.421 259 H CA -1.729 54.532 56.048 0.355 0.000 1.394 259 H CB 0.197 30.120 29.762 0.268 0.000 1.701 259 H HN 0.283 nan 8.280 nan 0.000 0.515 260 P HA 0.109 nan 4.420 nan 0.000 0.271 260 P C 0.422 177.793 177.300 0.118 0.000 1.218 260 P CA -0.138 63.122 63.100 0.268 0.000 0.780 260 P CB 1.630 33.484 31.700 0.257 0.000 0.901 261 I N 1.661 122.208 120.570 -0.038 0.000 2.316 261 I HA 0.172 4.343 4.170 0.001 0.000 0.286 261 I C 0.899 176.994 176.117 -0.037 0.000 1.107 261 I CA -0.589 60.697 61.300 -0.023 0.000 1.219 261 I CB 0.141 38.111 38.000 -0.050 0.000 1.455 261 I HN 0.260 nan 8.210 nan 0.000 0.498 262 E N 5.400 125.617 120.200 0.027 0.000 2.360 262 E HA 0.085 4.436 4.350 0.001 0.000 0.269 262 E C 0.355 176.980 176.600 0.042 0.000 1.022 262 E CA 0.590 57.030 56.400 0.067 0.000 0.887 262 E CB 0.326 30.099 29.700 0.122 0.000 0.990 262 E HN 0.441 nan 8.360 nan 0.000 0.426 263 N N 1.612 120.347 118.700 0.058 0.000 2.952 263 N HA -0.205 4.535 4.740 0.001 0.000 0.245 263 N C -1.228 174.283 175.510 0.000 0.000 1.029 263 N CA 0.507 53.587 53.050 0.049 0.000 0.870 263 N CB -1.432 37.084 38.487 0.049 0.000 1.121 263 N HN 0.333 nan 8.380 nan 0.000 0.559 264 L N 0.730 121.934 121.223 -0.032 0.000 2.319 264 L HA 0.649 4.990 4.340 0.001 0.000 0.281 264 L C -0.861 175.993 176.870 -0.026 0.000 1.005 264 L CA -0.736 54.067 54.840 -0.061 0.000 0.828 264 L CB 1.861 43.840 42.059 -0.134 0.000 1.227 264 L HN -0.109 nan 8.230 nan 0.000 0.415 265 V N 4.646 124.556 119.914 -0.007 0.000 2.577 265 V HA 0.848 4.968 4.120 0.001 0.000 0.303 265 V C -0.166 175.935 176.094 0.012 0.000 1.042 265 V CA -0.439 61.856 62.300 -0.008 0.000 0.872 265 V CB 1.656 33.451 31.823 -0.047 0.000 0.998 265 V HN 0.898 nan 8.190 nan 0.000 0.423 266 A N 4.797 127.640 122.820 0.038 0.000 2.318 266 A HA 0.854 5.174 4.320 0.001 0.000 0.324 266 A C -0.713 176.819 177.584 -0.087 0.000 1.170 266 A CA -0.535 51.520 52.037 0.032 0.000 0.810 266 A CB 1.450 20.521 19.000 0.117 0.000 1.198 266 A HN 0.670 nan 8.150 nan 0.000 0.484 267 V N 2.969 122.823 119.914 -0.100 0.000 2.439 267 V HA 0.428 4.548 4.120 0.001 0.000 0.282 267 V C -0.151 175.872 176.094 -0.118 0.000 1.039 267 V CA -0.390 61.826 62.300 -0.140 0.000 0.913 267 V CB 1.257 32.996 31.823 -0.141 0.000 0.983 267 V HN 0.603 nan 8.190 nan 0.000 0.460 268 V N 3.628 123.461 119.914 -0.133 0.000 2.448 268 V HA 0.388 4.508 4.120 0.001 0.000 0.295 268 V C -0.327 175.702 176.094 -0.108 0.000 1.025 268 V CA -0.616 61.612 62.300 -0.120 0.000 0.859 268 V CB 1.907 33.647 31.823 -0.139 0.000 0.988 268 V HN 0.873 nan 8.190 nan 0.000 0.431 269 D N 3.890 124.238 120.400 -0.087 0.000 2.313 269 D HA 0.306 4.946 4.640 0.001 0.000 0.239 269 D C 0.773 177.031 176.300 -0.071 0.000 1.142 269 D CA -0.152 53.803 54.000 -0.074 0.000 0.847 269 D CB 1.756 42.520 40.800 -0.060 0.000 1.082 269 D HN 0.453 nan 8.370 nan 0.000 0.480 270 L N 2.920 124.099 121.223 -0.072 0.000 2.395 270 L HA -0.019 4.321 4.340 0.001 0.000 0.218 270 L C 2.020 178.856 176.870 -0.057 0.000 1.130 270 L CA 0.413 55.213 54.840 -0.068 0.000 0.826 270 L CB 0.134 42.149 42.059 -0.073 0.000 0.941 270 L HN 0.362 nan 8.230 nan 0.000 0.451 271 E N -0.050 120.116 120.200 -0.057 0.000 2.086 271 E HA -0.178 4.172 4.350 0.001 0.000 0.190 271 E C 1.934 178.510 176.600 -0.040 0.000 0.975 271 E CA 0.757 57.127 56.400 -0.050 0.000 0.813 271 E CB 0.072 29.737 29.700 -0.058 0.000 0.768 271 E HN 0.460 nan 8.360 nan 0.000 0.457 272 Q N 0.897 120.672 119.800 -0.041 0.000 2.378 272 Q HA -0.035 4.306 4.340 0.001 0.000 0.205 272 Q C -0.284 175.694 176.000 -0.037 0.000 0.954 272 Q CA 0.252 56.034 55.803 -0.036 0.000 0.901 272 Q CB 0.046 28.762 28.738 -0.036 0.000 0.981 272 Q HN 0.021 nan 8.270 nan 0.000 0.483 273 K N 1.026 121.400 120.400 -0.044 0.000 3.689 273 K HA -0.233 4.087 4.320 0.001 0.000 0.276 273 K C -0.914 175.657 176.600 -0.049 0.000 0.932 273 K CA 0.913 57.172 56.287 -0.047 0.000 0.758 273 K CB -1.075 31.403 32.500 -0.036 0.000 1.500 273 K HN 0.199 nan 8.250 nan 0.000 0.448 274 K N 0.692 121.059 120.400 -0.056 0.000 2.598 274 K HA 0.280 4.600 4.320 0.001 0.000 0.271 274 K C -1.074 175.490 176.600 -0.061 0.000 0.947 274 K CA -0.855 55.401 56.287 -0.053 0.000 0.854 274 K CB 1.184 33.661 32.500 -0.039 0.000 1.401 274 K HN 0.111 nan 8.250 nan 0.000 0.415 275 I N 4.976 125.512 120.570 -0.057 0.000 2.406 275 I HA 0.007 4.177 4.170 0.001 0.000 0.293 275 I C 1.539 177.633 176.117 -0.039 0.000 1.101 275 I CA -0.347 60.920 61.300 -0.054 0.000 1.334 275 I CB 1.085 39.064 38.000 -0.035 0.000 1.421 275 I HN 0.557 nan 8.210 nan 0.000 0.513 276 V N 2.747 122.631 119.914 -0.049 0.000 2.951 276 V HA 0.129 4.250 4.120 0.001 0.000 0.255 276 V C 0.686 176.756 176.094 -0.039 0.000 1.088 276 V CA 0.768 63.042 62.300 -0.043 0.000 1.109 276 V CB -0.625 31.167 31.823 -0.051 0.000 0.724 276 V HN 0.788 nan 8.190 nan 0.000 0.471 277 K N -0.203 120.171 120.400 -0.042 0.000 2.562 277 K HA 0.647 4.967 4.320 0.001 0.000 0.267 277 K C -1.914 174.670 176.600 -0.026 0.000 0.938 277 K CA -0.788 55.476 56.287 -0.038 0.000 0.840 277 K CB 2.524 34.991 32.500 -0.056 0.000 1.390 277 K HN 0.201 nan 8.250 nan 0.000 0.428 278 I N 3.283 123.844 120.570 -0.015 0.000 2.447 278 I HA 0.263 4.433 4.170 0.001 0.000 0.287 278 I C -0.699 175.407 176.117 -0.019 0.000 1.023 278 I CA -0.737 60.562 61.300 -0.001 0.000 1.083 278 I CB 2.054 40.065 38.000 0.019 0.000 1.245 278 I HN 0.568 nan 8.210 nan 0.000 0.434 279 E N 6.409 126.595 120.200 -0.023 0.000 2.156 279 E HA 0.439 4.790 4.350 0.001 0.000 0.279 279 E C -0.974 175.616 176.600 -0.016 0.000 0.965 279 E CA -0.584 55.806 56.400 -0.017 0.000 0.789 279 E CB 1.988 31.684 29.700 -0.008 0.000 1.098 279 E HN 0.509 nan 8.360 nan 0.000 0.397 280 E N 1.319 121.509 120.200 -0.018 0.000 2.266 280 E HA 0.523 4.874 4.350 0.001 0.000 0.268 280 E C -0.366 176.230 176.600 -0.007 0.000 0.879 280 E CA -0.739 55.646 56.400 -0.025 0.000 0.762 280 E CB 2.253 31.927 29.700 -0.043 0.000 1.199 280 E HN 0.570 nan 8.360 nan 0.000 0.422 281 G N 1.860 110.661 108.800 0.001 0.000 3.209 281 G HA2 0.535 4.496 3.960 0.001 0.000 0.236 281 G HA3 0.535 4.496 3.960 0.001 0.000 0.236 281 G C -2.602 172.302 174.900 0.007 0.000 1.329 281 G CA -1.254 43.855 45.100 0.014 0.000 1.015 281 G HN 0.262 nan 8.290 nan 0.000 0.571 282 P HA 0.240 nan 4.420 nan 0.000 0.266 282 P C -0.198 177.109 177.300 0.011 0.000 1.195 282 P CA -0.330 62.778 63.100 0.012 0.000 0.768 282 P CB 0.883 32.595 31.700 0.020 0.000 0.838 283 V N 4.241 124.157 119.914 0.003 0.000 2.508 283 V HA 0.106 4.227 4.120 0.001 0.000 0.281 283 V C 0.360 176.462 176.094 0.014 0.000 1.041 283 V CA 0.209 62.510 62.300 0.001 0.000 1.016 283 V CB 0.983 32.802 31.823 -0.006 0.000 0.984 283 V HN 0.225 nan 8.190 nan 0.000 0.478 284 V N 7.343 127.270 119.914 0.022 0.000 2.483 284 V HA 0.367 4.488 4.120 0.001 0.000 0.297 284 V C -2.313 173.804 176.094 0.040 0.000 1.027 284 V CA -1.892 60.428 62.300 0.034 0.000 0.855 284 V CB 1.914 33.765 31.823 0.048 0.000 0.995 284 V HN 0.756 nan 8.190 nan 0.000 0.424 285 P HA 0.065 nan 4.420 nan 0.000 0.262 285 P C -0.208 177.137 177.300 0.073 0.000 1.182 285 P CA 0.062 63.191 63.100 0.049 0.000 0.761 285 P CB 0.347 32.074 31.700 0.046 0.000 0.795 286 V N 6.888 126.851 119.914 0.082 0.000 2.540 286 V HA 0.014 4.135 4.120 0.001 0.000 0.297 286 V C -1.764 174.426 176.094 0.161 0.000 1.024 286 V CA -0.870 61.506 62.300 0.126 0.000 1.105 286 V CB -0.256 31.642 31.823 0.124 0.000 0.938 286 V HN 0.576 nan 8.190 nan 0.000 0.482 287 P HA 0.142 nan 4.420 nan 0.000 0.266 287 P C 0.379 177.903 177.300 0.373 0.000 1.215 287 P CA 0.041 63.283 63.100 0.238 0.000 0.763 287 P CB 0.512 32.341 31.700 0.215 0.000 0.806 288 M N 0.243 120.014 119.600 0.285 0.000 2.657 288 M HA 0.054 4.535 4.480 0.001 0.000 0.262 288 M C 0.574 177.046 176.300 0.287 0.000 1.213 288 M CA 0.749 56.196 55.300 0.246 0.000 1.182 288 M CB -1.258 31.416 32.600 0.125 0.000 1.303 288 M HN 0.146 nan 8.290 nan 0.000 0.501 289 T N 2.487 117.204 114.554 0.270 0.000 2.903 289 T HA 0.180 4.531 4.350 0.001 0.000 0.299 289 T C 0.358 175.255 174.700 0.329 0.000 1.041 289 T CA -0.000 62.246 62.100 0.244 0.000 1.138 289 T CB 0.208 69.213 68.868 0.228 0.000 1.040 289 T HN 0.364 nan 8.240 nan 0.000 0.524 290 A N 4.177 127.131 122.820 0.224 0.000 2.409 290 A HA 0.465 4.786 4.320 0.001 0.000 0.262 290 A C 0.675 178.354 177.584 0.158 0.000 1.113 290 A CA -0.456 51.706 52.037 0.208 0.000 0.790 290 A CB 0.251 19.313 19.000 0.103 0.000 1.046 290 A HN 0.704 nan 8.150 nan 0.000 0.496 291 R N 3.113 123.698 120.500 0.141 0.000 2.687 291 R HA 0.261 4.602 4.340 0.001 0.000 0.264 291 R C -3.124 173.140 176.300 -0.060 0.000 1.715 291 R CA -1.345 54.765 56.100 0.017 0.000 1.633 291 R CB 1.313 31.605 30.300 -0.013 0.000 1.353 291 R HN 0.562 nan 8.270 nan 0.000 0.653 292 P HA 0.174 nan 4.420 nan 0.000 0.277 292 P C 0.068 177.260 177.300 -0.179 0.000 1.240 292 P CA -0.293 62.679 63.100 -0.213 0.000 0.798 292 P CB 0.446 32.036 31.700 -0.184 0.000 0.979 293 F N -0.529 119.349 119.950 -0.121 0.000 2.706 293 F HA 0.262 4.789 4.527 0.001 0.000 0.313 293 F C 0.985 176.731 175.800 -0.091 0.000 1.096 293 F CA -0.356 57.562 58.000 -0.136 0.000 1.219 293 F CB -0.844 38.046 39.000 -0.184 0.000 1.051 293 F HN 0.096 nan 8.300 nan 0.000 0.568 294 D N 0.167 120.418 120.400 -0.248 0.000 2.340 294 D HA 0.205 4.845 4.640 0.001 0.000 0.220 294 D C 1.871 178.140 176.300 -0.052 0.000 1.039 294 D CA 0.662 54.603 54.000 -0.099 0.000 0.866 294 D CB -0.057 40.619 40.800 -0.207 0.000 0.913 294 D HN 0.478 nan 8.370 nan 0.000 0.523 295 G N 1.626 110.394 108.800 -0.053 0.000 2.157 295 G HA2 -0.411 3.550 3.960 0.001 0.000 0.239 295 G HA3 -0.411 3.550 3.960 0.001 0.000 0.239 295 G C 1.206 176.083 174.900 -0.038 0.000 0.982 295 G CA 0.412 45.494 45.100 -0.030 0.000 0.650 295 G HN 0.571 nan 8.290 nan 0.000 0.527 296 R N 0.637 121.101 120.500 -0.060 0.000 2.139 296 R HA -0.098 4.243 4.340 0.001 0.000 0.243 296 R C 1.493 177.773 176.300 -0.032 0.000 1.145 296 R CA 1.997 58.068 56.100 -0.049 0.000 0.976 296 R CB -0.526 29.734 30.300 -0.067 0.000 0.866 296 R HN 0.453 nan 8.270 nan 0.000 0.449 297 D N -0.021 120.360 120.400 -0.031 0.000 2.388 297 D HA 0.075 4.716 4.640 0.001 0.000 0.221 297 D C -0.191 176.104 176.300 -0.009 0.000 1.133 297 D CA -0.244 53.747 54.000 -0.016 0.000 0.831 297 D CB 0.219 41.012 40.800 -0.012 0.000 0.962 297 D HN 0.026 nan 8.370 nan 0.000 0.502 298 R N -0.076 120.418 120.500 -0.011 0.000 2.854 298 R HA 0.535 4.875 4.340 0.001 0.000 0.271 298 R C -0.651 175.648 176.300 -0.002 0.000 0.996 298 R CA -1.064 55.034 56.100 -0.005 0.000 0.961 298 R CB 1.988 32.285 30.300 -0.005 0.000 1.182 298 R HN -0.118 nan 8.270 nan 0.000 0.479 299 V N 1.565 121.480 119.914 0.001 0.000 2.465 299 V HA 0.340 4.461 4.120 0.001 0.000 0.279 299 V C 0.368 176.464 176.094 0.002 0.000 1.045 299 V CA -0.782 61.520 62.300 0.002 0.000 0.938 299 V CB 1.364 33.190 31.823 0.004 0.000 0.986 299 V HN 0.830 nan 8.190 nan 0.000 0.467 300 A N 8.007 130.828 122.820 0.002 0.000 2.376 300 A HA 0.632 4.953 4.320 0.001 0.000 0.298 300 A C -1.390 176.197 177.584 0.004 0.000 1.271 300 A CA -1.016 51.023 52.037 0.002 0.000 0.926 300 A CB -0.438 18.564 19.000 0.002 0.000 1.141 300 A HN 0.743 nan 8.150 nan 0.000 0.539 301 P HA 0.442 nan 4.420 nan 0.000 0.274 301 P C -0.039 177.264 177.300 0.004 0.000 1.256 301 P CA -0.314 62.788 63.100 0.004 0.000 0.795 301 P CB 0.812 32.514 31.700 0.004 0.000 1.038 302 A N 0.722 123.545 122.820 0.004 0.000 2.425 302 A HA 0.458 4.778 4.320 0.001 0.000 0.249 302 A C -0.236 177.350 177.584 0.003 0.000 1.084 302 A CA -0.220 51.820 52.037 0.004 0.000 0.781 302 A CB -0.008 18.994 19.000 0.004 0.000 1.019 302 A HN 0.353 nan 8.150 nan 0.000 0.490 303 V N 3.475 123.391 119.914 0.004 0.000 2.623 303 V HA 0.232 4.353 4.120 0.001 0.000 0.304 303 V C -0.085 176.011 176.094 0.003 0.000 1.054 303 V CA -0.823 61.479 62.300 0.003 0.000 0.882 303 V CB 1.970 33.795 31.823 0.003 0.000 1.002 303 V HN 1.000 nan 8.190 nan 0.000 0.424 304 K N 5.213 125.614 120.400 0.001 0.000 2.295 304 K HA 0.353 4.674 4.320 0.001 0.000 0.270 304 K C -2.152 174.450 176.600 0.003 0.000 1.011 304 K CA -1.054 55.234 56.287 0.001 0.000 0.953 304 K CB 0.467 32.965 32.500 -0.003 0.000 0.956 304 K HN 0.479 nan 8.250 nan 0.000 0.477 305 P HA 0.027 nan 4.420 nan 0.000 0.271 305 P C -1.040 176.265 177.300 0.008 0.000 1.218 305 P CA -0.111 62.995 63.100 0.010 0.000 0.780 305 P CB 0.675 32.385 31.700 0.017 0.000 0.901 306 M N 1.906 121.512 119.600 0.009 0.000 2.122 306 M HA 0.267 4.747 4.480 0.001 0.000 0.269 306 M C -1.309 174.999 176.300 0.014 0.000 0.954 306 M CA -0.357 54.947 55.300 0.007 0.000 0.998 306 M CB 1.670 34.270 32.600 -0.001 0.000 1.755 306 M HN 0.263 nan 8.290 nan 0.000 0.459 307 Q N 3.777 123.592 119.800 0.026 0.000 2.245 307 Q HA 0.613 4.954 4.340 0.001 0.000 0.256 307 Q C -1.128 174.892 176.000 0.034 0.000 0.942 307 Q CA -0.483 55.346 55.803 0.042 0.000 0.896 307 Q CB 2.630 31.412 28.738 0.074 0.000 1.272 307 Q HN 0.747 nan 8.270 nan 0.000 0.442 308 I N 4.899 125.491 120.570 0.037 0.000 2.307 308 I HA 0.348 4.519 4.170 0.001 0.000 0.289 308 I C -0.235 175.917 176.117 0.058 0.000 1.021 308 I CA -0.482 60.839 61.300 0.035 0.000 1.224 308 I CB 0.510 38.529 38.000 0.032 0.000 1.376 308 I HN 0.481 nan 8.210 nan 0.000 0.470 309 I N 2.581 123.174 120.570 0.038 0.000 2.646 309 I HA 0.611 4.782 4.170 0.001 0.000 0.299 309 I C -0.797 175.282 176.117 -0.063 0.000 1.036 309 I CA -0.590 60.725 61.300 0.026 0.000 1.074 309 I CB 2.159 40.182 38.000 0.038 0.000 1.258 309 I HN 0.496 nan 8.210 nan 0.000 0.430 310 E N 5.421 125.564 120.200 -0.095 0.000 2.873 310 E HA 0.267 4.618 4.350 0.001 0.000 0.232 310 E C -2.200 174.252 176.600 -0.246 0.000 1.123 310 E CA -1.479 54.846 56.400 -0.125 0.000 0.809 310 E CB 1.346 31.028 29.700 -0.029 0.000 1.366 310 E HN 0.542 nan 8.360 nan 0.000 0.400 311 P HA -0.054 nan 4.420 nan 0.000 0.242 311 P C 0.185 177.351 177.300 -0.224 0.000 1.197 311 P CA 0.707 63.330 63.100 -0.796 0.000 0.765 311 P CB 0.369 31.476 31.700 -0.989 0.000 0.936 312 E N -0.377 119.744 120.200 -0.131 0.000 2.603 312 E HA 0.374 4.725 4.350 0.001 0.000 0.211 312 E C 0.727 177.307 176.600 -0.033 0.000 0.995 312 E CA -0.135 56.234 56.400 -0.051 0.000 0.990 312 E CB 0.458 30.128 29.700 -0.051 0.000 1.036 312 E HN 0.147 nan 8.360 nan 0.000 0.475 313 G N 1.579 110.361 108.800 -0.031 0.000 2.610 313 G HA2 -0.180 3.780 3.960 0.001 0.000 0.304 313 G HA3 -0.180 3.780 3.960 0.001 0.000 0.304 313 G C -0.732 174.105 174.900 -0.105 0.000 1.309 313 G CA -0.918 44.158 45.100 -0.040 0.000 0.906 313 G HN -0.045 nan 8.290 nan 0.000 0.521 314 K N 0.183 120.454 120.400 -0.215 0.000 2.109 314 K HA 0.450 4.770 4.320 0.001 0.000 0.243 314 K C 1.038 177.466 176.600 -0.285 0.000 1.006 314 K CA -0.970 55.075 56.287 -0.403 0.000 0.917 314 K CB 0.727 32.591 32.500 -1.060 0.000 1.081 314 K HN 0.439 nan 8.250 nan 0.000 0.468 315 N N 0.362 118.955 118.700 -0.177 0.000 2.424 315 N HA -0.019 4.722 4.740 0.001 0.000 0.178 315 N C 0.057 175.663 175.510 0.160 0.000 1.060 315 N CA 0.481 53.563 53.050 0.053 0.000 0.901 315 N CB 0.064 38.703 38.487 0.253 0.000 0.979 315 N HN 0.479 nan 8.380 nan 0.000 0.451 316 Y N -0.459 119.976 120.300 0.224 0.000 2.354 316 Y HA 0.638 5.189 4.550 0.001 0.000 0.322 316 Y C 0.191 176.091 175.900 0.001 0.000 1.253 316 Y CA -0.903 57.281 58.100 0.141 0.000 1.272 316 Y CB 0.431 38.895 38.460 0.006 0.000 1.255 316 Y HN -0.344 nan 8.280 nan 0.000 0.500 317 T N 3.506 118.156 114.554 0.161 0.000 2.876 317 T HA 0.562 4.912 4.350 0.001 0.000 0.289 317 T C -0.672 174.019 174.700 -0.015 0.000 1.014 317 T CA -0.667 61.459 62.100 0.042 0.000 0.986 317 T CB 0.964 69.884 68.868 0.087 0.000 1.021 317 T HN 0.580 nan 8.240 nan 0.000 0.458 318 I N 3.019 123.502 120.570 -0.144 0.000 2.405 318 I HA 0.286 4.456 4.170 0.001 0.000 0.280 318 I C -0.186 175.912 176.117 -0.031 0.000 1.027 318 I CA -0.634 60.561 61.300 -0.175 0.000 1.161 318 I CB 1.300 39.054 38.000 -0.410 0.000 1.300 318 I HN 0.528 nan 8.210 nan 0.000 0.463 319 T N 4.959 119.510 114.554 -0.005 0.000 2.874 319 T HA 0.527 4.877 4.350 0.001 0.000 0.321 319 T C 0.828 175.559 174.700 0.052 0.000 1.075 319 T CA 0.158 62.287 62.100 0.049 0.000 0.966 319 T CB 1.390 70.285 68.868 0.044 0.000 1.001 319 T HN 1.025 nan 8.240 nan 0.000 0.476 320 G N 4.183 113.032 108.800 0.081 0.000 2.574 320 G HA2 -0.281 3.679 3.960 0.001 0.000 0.301 320 G HA3 -0.281 3.679 3.960 0.001 0.000 0.301 320 G C 0.236 175.130 174.900 -0.010 0.000 1.166 320 G CA 0.382 45.515 45.100 0.056 0.000 0.971 320 G HN 0.617 nan 8.290 nan 0.000 0.542 321 D N 0.955 121.283 120.400 -0.120 0.000 2.395 321 D HA 0.261 4.901 4.640 0.001 0.000 0.213 321 D C 0.933 176.964 176.300 -0.447 0.000 1.110 321 D CA -0.014 53.780 54.000 -0.344 0.000 0.835 321 D CB 0.165 40.592 40.800 -0.621 0.000 0.965 321 D HN 0.193 nan 8.370 nan 0.000 0.505 322 M N 1.149 120.613 119.600 -0.227 0.000 2.185 322 M HA 0.326 4.807 4.480 0.001 0.000 0.357 322 M C 0.066 176.203 176.300 -0.271 0.000 1.260 322 M CA -0.097 55.083 55.300 -0.199 0.000 1.124 322 M CB 1.188 33.786 32.600 -0.005 0.000 1.600 322 M HN -0.164 nan 8.290 nan 0.000 0.467 323 I N 2.889 123.157 120.570 -0.502 0.000 2.406 323 I HA 0.251 4.421 4.170 0.001 0.000 0.290 323 I C -0.544 175.348 176.117 -0.375 0.000 0.999 323 I CA -0.772 60.193 61.300 -0.557 0.000 1.124 323 I CB 1.632 39.027 38.000 -1.008 0.000 1.289 323 I HN 0.622 nan 8.210 nan 0.000 0.441 324 H N 5.805 124.774 119.070 -0.168 0.000 2.481 324 H HA 0.469 5.025 4.556 0.001 0.000 0.333 324 H C -1.953 173.482 175.328 0.178 0.000 1.066 324 H CA -0.608 55.436 56.048 -0.006 0.000 1.209 324 H CB 1.310 31.075 29.762 0.004 0.000 1.445 324 H HN 0.611 nan 8.280 nan 0.000 0.488 325 W N 8.677 129.676 121.300 -0.502 0.000 2.957 325 W HA 0.361 5.021 4.660 0.001 0.000 0.327 325 W C -0.444 175.930 176.519 -0.241 0.000 1.039 325 W CA -0.546 56.610 57.345 -0.316 0.000 1.257 325 W CB 0.458 29.890 29.460 -0.046 0.000 1.238 325 W HN 1.019 nan 8.180 nan 0.000 0.406 326 R N 1.803 121.832 120.500 -0.784 0.000 3.883 326 R HA -0.363 3.977 4.340 0.001 0.000 0.407 326 R C 0.657 176.694 176.300 -0.439 0.000 0.242 326 R CA 2.010 57.716 56.100 -0.656 0.000 1.306 326 R CB -1.218 28.527 30.300 -0.926 0.000 0.973 326 R HN 0.520 nan 8.270 nan 0.000 0.574 327 N N 0.142 118.519 118.700 -0.538 0.000 2.353 327 N HA 0.066 4.806 4.740 0.001 0.000 0.185 327 N C -0.074 175.078 175.510 -0.596 0.000 1.098 327 N CA 0.503 53.151 53.050 -0.671 0.000 0.872 327 N CB 0.105 37.853 38.487 -1.232 0.000 0.970 327 N HN 0.203 nan 8.380 nan 0.000 0.467 328 W N 1.367 122.568 121.300 -0.165 0.000 2.316 328 W HA 0.327 4.988 4.660 0.001 0.000 0.321 328 W C -0.044 176.566 176.519 0.152 0.000 1.203 328 W CA -0.492 56.916 57.345 0.104 0.000 1.214 328 W CB 1.036 30.682 29.460 0.311 0.000 1.169 328 W HN -0.237 nan 8.180 nan 0.000 0.561 329 D N 2.856 123.588 120.400 0.553 0.000 2.936 329 D HA 0.367 5.007 4.640 0.001 0.000 0.238 329 D C -1.097 175.453 176.300 0.416 0.000 1.248 329 D CA -0.310 53.901 54.000 0.351 0.000 0.903 329 D CB 2.030 43.009 40.800 0.298 0.000 1.544 329 D HN 0.242 nan 8.370 nan 0.000 0.543 330 F N -0.818 119.191 119.950 0.098 0.000 2.686 330 F HA 0.441 4.969 4.527 0.001 0.000 0.311 330 F C -1.392 174.378 175.800 -0.050 0.000 1.128 330 F CA -0.981 57.037 58.000 0.029 0.000 0.946 330 F CB 1.805 40.775 39.000 -0.050 0.000 1.336 330 F HN 0.162 nan 8.300 nan 0.000 0.457 331 H N 2.217 121.280 119.070 -0.011 0.000 2.466 331 H HA 0.661 5.217 4.556 0.001 0.000 0.338 331 H C -2.013 173.239 175.328 -0.127 0.000 1.091 331 H CA -0.716 55.186 56.048 -0.244 0.000 1.207 331 H CB 2.105 31.554 29.762 -0.522 0.000 1.466 331 H HN 0.814 nan 8.280 nan 0.000 0.493 332 L N 5.002 125.923 121.223 -0.503 0.000 2.349 332 L HA 0.388 4.729 4.340 0.001 0.000 0.278 332 L C -0.787 175.850 176.870 -0.388 0.000 0.996 332 L CA -0.082 54.583 54.840 -0.293 0.000 0.825 332 L CB 1.312 43.281 42.059 -0.151 0.000 1.243 332 L HN 0.759 nan 8.230 nan 0.000 0.412 333 S N 4.311 119.852 115.700 -0.264 0.000 2.819 333 S HA 0.852 5.322 4.470 0.001 0.000 0.299 333 S C -1.086 173.387 174.600 -0.212 0.000 1.192 333 S CA -0.857 57.219 58.200 -0.205 0.000 0.847 333 S CB 1.364 64.502 63.200 -0.103 0.000 1.224 333 S HN 0.636 nan 8.310 nan 0.000 0.537 334 M N 2.924 122.422 119.600 -0.170 0.000 2.165 334 M HA 0.485 4.965 4.480 0.001 0.000 0.283 334 M C -1.379 174.834 176.300 -0.146 0.000 0.978 334 M CA -0.509 54.674 55.300 -0.194 0.000 0.948 334 M CB 1.594 34.108 32.600 -0.143 0.000 1.599 334 M HN 0.847 nan 8.290 nan 0.000 0.450 335 N N 1.539 120.134 118.700 -0.175 0.000 2.405 335 N HA 0.297 5.038 4.740 0.001 0.000 0.299 335 N C 0.366 175.833 175.510 -0.072 0.000 1.075 335 N CA 0.288 53.278 53.050 -0.100 0.000 0.884 335 N CB 1.643 40.078 38.487 -0.087 0.000 1.194 335 N HN 0.842 nan 8.380 nan 0.000 0.491 336 S N 3.194 118.889 115.700 -0.009 0.000 2.453 336 S HA -0.086 4.384 4.470 0.001 0.000 0.231 336 S C 1.713 176.350 174.600 0.060 0.000 1.005 336 S CA 0.529 58.751 58.200 0.037 0.000 0.949 336 S CB 0.054 63.289 63.200 0.058 0.000 0.774 336 S HN 0.699 nan 8.310 nan 0.000 0.510 337 R N 0.928 121.451 120.500 0.039 0.000 2.055 337 R HA 0.088 4.429 4.340 0.001 0.000 0.221 337 R C 2.001 178.341 176.300 0.065 0.000 1.154 337 R CA 1.560 57.688 56.100 0.047 0.000 0.975 337 R CB -0.122 30.182 30.300 0.006 0.000 0.869 337 R HN 0.461 nan 8.270 nan 0.000 0.437 338 V N -1.972 117.951 119.914 0.016 0.000 3.578 338 V HA 0.451 4.572 4.120 0.001 0.000 0.290 338 V C 0.789 176.697 176.094 -0.310 0.000 1.376 338 V CA 0.341 62.619 62.300 -0.036 0.000 1.083 338 V CB -0.072 31.754 31.823 0.004 0.000 0.911 338 V HN 0.658 nan 8.190 nan 0.000 0.433 339 G N 1.412 109.958 108.800 -0.425 0.000 2.498 339 G HA2 -0.193 3.767 3.960 0.001 0.000 0.251 339 G HA3 -0.193 3.767 3.960 0.001 0.000 0.251 339 G C -2.586 171.823 174.900 -0.818 0.000 1.170 339 G CA -0.115 44.378 45.100 -1.013 0.000 0.944 339 G HN 0.623 nan 8.290 nan 0.000 0.567 340 P HA 0.498 nan 4.420 nan 0.000 0.271 340 P C -0.457 176.531 177.300 -0.520 0.000 1.218 340 P CA 0.270 62.999 63.100 -0.617 0.000 0.780 340 P CB 0.755 32.138 31.700 -0.528 0.000 0.901 341 M N 2.616 121.951 119.600 -0.443 0.000 2.263 341 M HA 0.361 4.842 4.480 0.001 0.000 0.295 341 M C -0.849 175.198 176.300 -0.421 0.000 1.028 341 M CA -0.651 54.392 55.300 -0.428 0.000 0.921 341 M CB 1.712 34.132 32.600 -0.299 0.000 1.601 341 M HN 0.097 nan 8.290 nan 0.000 0.440 342 I N 2.739 122.985 120.570 -0.540 0.000 2.330 342 I HA 0.502 4.672 4.170 0.001 0.000 0.289 342 I C -0.247 175.697 176.117 -0.289 0.000 1.001 342 I CA -0.292 60.770 61.300 -0.397 0.000 1.193 342 I CB 0.585 38.237 38.000 -0.580 0.000 1.345 342 I HN 0.581 nan 8.210 nan 0.000 0.461 343 S N 2.752 118.352 115.700 -0.167 0.000 2.671 343 S HA 0.546 5.016 4.470 0.001 0.000 0.299 343 S C 0.130 174.627 174.600 -0.171 0.000 1.116 343 S CA -0.659 57.361 58.200 -0.301 0.000 0.912 343 S CB 1.741 64.683 63.200 -0.431 0.000 1.130 343 S HN 0.799 nan 8.310 nan 0.000 0.501 344 T N -1.729 112.588 114.554 -0.396 0.000 3.639 344 T HA -0.160 4.191 4.350 0.001 0.000 0.386 344 T C -0.096 174.756 174.700 0.252 0.000 0.764 344 T CA 0.131 62.060 62.100 -0.286 0.000 1.954 344 T CB -2.516 66.283 68.868 -0.114 0.000 1.755 344 T HN 0.531 nan 8.240 nan 0.000 0.715 345 V N 2.641 122.763 119.914 0.346 0.000 2.405 345 V HA 0.564 4.684 4.120 0.001 0.000 0.264 345 V C 1.204 177.676 176.094 0.630 0.000 1.048 345 V CA 0.208 62.804 62.300 0.494 0.000 0.966 345 V CB 0.688 32.734 31.823 0.371 0.000 1.015 345 V HN 0.972 nan 8.190 nan 0.000 0.477 346 T N 2.257 117.185 114.554 0.623 0.000 2.908 346 T HA 0.639 4.990 4.350 0.001 0.000 0.290 346 T C -1.042 173.961 174.700 0.506 0.000 1.034 346 T CA -0.750 61.666 62.100 0.526 0.000 1.010 346 T CB 1.825 70.937 68.868 0.408 0.000 1.068 346 T HN 0.370 nan 8.240 nan 0.000 0.481 347 Y N 2.187 122.628 120.300 0.235 0.000 2.352 347 Y HA 0.477 5.028 4.550 0.001 0.000 0.339 347 Y C -0.022 175.934 175.900 0.093 0.000 0.992 347 Y CA -1.188 56.913 58.100 0.001 0.000 1.100 347 Y CB 1.394 39.775 38.460 -0.133 0.000 1.192 347 Y HN 0.788 nan 8.280 nan 0.000 0.458 348 N N 5.027 123.629 118.700 -0.163 0.000 2.406 348 N HA 0.030 4.771 4.740 0.001 0.000 0.251 348 N C -1.527 174.071 175.510 0.147 0.000 1.069 348 N CA 0.041 53.099 53.050 0.013 0.000 0.947 348 N CB 0.464 38.914 38.487 -0.062 0.000 1.111 348 N HN 0.696 nan 8.380 nan 0.000 0.497 349 D N 3.068 123.636 120.400 0.279 0.000 2.412 349 D HA 0.185 4.825 4.640 0.001 0.000 0.224 349 D C -0.345 176.043 176.300 0.147 0.000 1.093 349 D CA -0.204 53.977 54.000 0.303 0.000 0.850 349 D CB -0.381 40.630 40.800 0.352 0.000 1.046 349 D HN 0.586 nan 8.370 nan 0.000 0.507 350 N N 3.089 121.850 118.700 0.102 0.000 2.698 350 N HA -0.271 4.469 4.740 0.001 0.000 0.258 350 N C 0.971 176.505 175.510 0.039 0.000 0.978 350 N CA 0.748 53.830 53.050 0.053 0.000 0.777 350 N CB -0.618 37.899 38.487 0.049 0.000 0.907 350 N HN 0.744 nan 8.380 nan 0.000 0.543 351 G N -2.244 106.578 108.800 0.036 0.000 2.284 351 G HA2 -0.280 3.680 3.960 0.001 0.000 0.216 351 G HA3 -0.280 3.680 3.960 0.001 0.000 0.216 351 G C 0.125 175.044 174.900 0.032 0.000 1.009 351 G CA 0.175 45.289 45.100 0.024 0.000 0.625 351 G HN 0.424 nan 8.290 nan 0.000 0.501 352 T N 2.577 117.161 114.554 0.050 0.000 2.749 352 T HA 0.551 4.902 4.350 0.001 0.000 0.287 352 T C 0.020 174.772 174.700 0.086 0.000 0.970 352 T CA -0.409 61.722 62.100 0.051 0.000 0.980 352 T CB 1.826 70.715 68.868 0.036 0.000 0.924 352 T HN 0.326 nan 8.240 nan 0.000 0.456 353 K N 3.606 124.054 120.400 0.081 0.000 2.349 353 K HA 0.265 4.585 4.320 0.001 0.000 0.288 353 K C 0.211 176.882 176.600 0.118 0.000 1.058 353 K CA -0.150 56.209 56.287 0.121 0.000 0.953 353 K CB 0.806 33.380 32.500 0.123 0.000 0.997 353 K HN 0.407 nan 8.250 nan 0.000 0.477 354 R N 2.771 123.389 120.500 0.197 0.000 2.445 354 R HA 0.212 4.553 4.340 0.001 0.000 0.308 354 R C -0.397 176.045 176.300 0.236 0.000 0.961 354 R CA -0.850 55.365 56.100 0.192 0.000 0.862 354 R CB 1.628 32.091 30.300 0.271 0.000 1.144 354 R HN 0.361 nan 8.270 nan 0.000 0.447 355 K N 1.431 121.877 120.400 0.076 0.000 2.448 355 K HA 0.040 4.360 4.320 0.001 0.000 0.278 355 K C 0.330 177.068 176.600 0.231 0.000 1.009 355 K CA -0.047 56.252 56.287 0.019 0.000 0.995 355 K CB 1.018 33.320 32.500 -0.330 0.000 0.917 355 K HN 0.332 nan 8.250 nan 0.000 0.481 356 V N 2.288 122.370 119.914 0.281 0.000 3.058 356 V HA 0.154 4.274 4.120 0.001 0.000 0.233 356 V C 0.099 176.261 176.094 0.114 0.000 1.255 356 V CA 0.149 62.526 62.300 0.128 0.000 1.267 356 V CB 0.384 32.294 31.823 0.145 0.000 1.049 356 V HN 0.773 nan 8.190 nan 0.000 0.486 357 M N -1.291 118.480 119.600 0.286 0.000 2.284 357 M HA 0.338 4.819 4.480 0.001 0.000 0.281 357 M C -0.267 176.240 176.300 0.345 0.000 1.083 357 M CA -0.578 54.859 55.300 0.227 0.000 0.965 357 M CB 2.169 34.806 32.600 0.060 0.000 1.717 357 M HN 0.233 nan 8.290 nan 0.000 0.479 358 Y N 3.175 123.593 120.300 0.196 0.000 2.243 358 Y HA 0.269 4.820 4.550 0.001 0.000 0.293 358 Y C -0.072 175.706 175.900 -0.202 0.000 1.124 358 Y CA 1.575 59.624 58.100 -0.084 0.000 1.159 358 Y CB 0.571 38.969 38.460 -0.103 0.000 1.008 358 Y HN 0.712 nan 8.280 nan 0.000 0.527 359 E N -0.439 119.610 120.200 -0.252 0.000 2.406 359 E HA 0.458 4.809 4.350 0.001 0.000 0.297 359 E C -1.366 175.098 176.600 -0.226 0.000 0.917 359 E CA -0.286 55.891 56.400 -0.371 0.000 0.795 359 E CB 1.115 30.571 29.700 -0.408 0.000 1.285 359 E HN 0.318 nan 8.360 nan 0.000 0.400 360 G N 1.611 110.240 108.800 -0.284 0.000 2.591 360 G HA2 0.697 4.658 3.960 0.001 0.000 0.306 360 G HA3 0.697 4.658 3.960 0.001 0.000 0.306 360 G C -1.023 173.645 174.900 -0.387 0.000 1.334 360 G CA -0.104 44.857 45.100 -0.231 0.000 0.981 360 G HN 0.598 nan 8.290 nan 0.000 0.491 361 S N 0.667 116.329 115.700 -0.063 0.000 2.645 361 S HA 0.486 4.957 4.470 0.001 0.000 0.268 361 S C -1.246 173.549 174.600 0.325 0.000 1.110 361 S CA -0.822 57.368 58.200 -0.016 0.000 0.823 361 S CB 0.933 64.017 63.200 -0.194 0.000 1.091 361 S HN 1.613 nan 8.310 nan 0.000 0.466 362 L N 2.556 123.933 121.223 0.256 0.000 2.559 362 L HA 0.558 4.898 4.340 0.001 0.000 0.274 362 L C 1.286 178.161 176.870 0.007 0.000 1.205 362 L CA 1.522 56.403 54.840 0.067 0.000 0.907 362 L CB 0.174 42.148 42.059 -0.143 0.000 1.153 362 L HN 1.017 nan 8.230 nan 0.000 0.490 363 G N 3.320 112.110 108.800 -0.017 0.000 2.439 363 G HA2 0.448 4.408 3.960 0.001 0.000 0.212 363 G HA3 0.448 4.408 3.960 0.001 0.000 0.212 363 G C 0.441 175.383 174.900 0.070 0.000 1.199 363 G CA 0.514 45.648 45.100 0.055 0.000 0.807 363 G HN 1.158 nan 8.290 nan 0.000 0.537 364 G N -1.124 107.644 108.800 -0.053 0.000 2.368 364 G HA2 0.545 4.506 3.960 0.001 0.000 0.293 364 G HA3 0.545 4.506 3.960 0.001 0.000 0.293 364 G C -1.031 173.832 174.900 -0.061 0.000 1.467 364 G CA -0.334 44.725 45.100 -0.069 0.000 0.804 364 G HN 0.757 nan 8.290 nan 0.000 0.535 365 M N -0.425 119.197 119.600 0.037 0.000 2.575 365 M HA 0.881 5.362 4.480 0.001 0.000 0.284 365 M C -1.726 174.680 176.300 0.177 0.000 1.253 365 M CA -1.112 54.256 55.300 0.112 0.000 0.861 365 M CB 2.804 35.430 32.600 0.044 0.000 1.733 365 M HN 0.621 nan 8.290 nan 0.000 0.462 366 I N 1.716 122.387 120.570 0.169 0.000 2.619 366 I HA 0.630 4.800 4.170 0.001 0.000 0.292 366 I C -1.727 174.435 176.117 0.075 0.000 1.100 366 I CA -0.962 60.440 61.300 0.170 0.000 1.043 366 I CB 2.407 40.524 38.000 0.194 0.000 1.239 366 I HN 0.646 nan 8.210 nan 0.000 0.420 367 V N 8.846 128.851 119.914 0.152 0.000 2.320 367 V HA 0.403 4.523 4.120 0.001 0.000 0.268 367 V C -2.389 173.845 176.094 0.234 0.000 1.021 367 V CA -1.176 61.177 62.300 0.088 0.000 0.813 367 V CB 1.089 32.949 31.823 0.061 0.000 1.054 367 V HN 0.541 nan 8.190 nan 0.000 0.444 368 P HA 0.463 nan 4.420 nan 0.000 0.296 368 P C -1.365 176.085 177.300 0.249 0.000 1.301 368 P CA -0.499 62.828 63.100 0.378 0.000 0.862 368 P CB 1.589 33.621 31.700 0.555 0.000 1.046 369 Y N 0.340 120.798 120.300 0.264 0.000 2.519 369 Y HA 0.551 5.102 4.550 0.001 0.000 0.324 369 Y C 1.819 177.782 175.900 0.105 0.000 1.214 369 Y CA 0.228 58.442 58.100 0.191 0.000 1.260 369 Y CB 1.291 39.904 38.460 0.254 0.000 1.311 369 Y HN 0.491 nan 8.280 nan 0.000 0.505 370 G N -0.132 108.766 108.800 0.162 0.000 3.651 370 G HA2 0.031 3.992 3.960 0.001 0.000 0.279 370 G HA3 0.031 3.992 3.960 0.001 0.000 0.279 370 G C -0.793 174.095 174.900 -0.019 0.000 1.024 370 G CA -0.061 45.047 45.100 0.013 0.000 0.813 370 G HN 0.471 nan 8.290 nan 0.000 0.518 371 D N 0.855 121.227 120.400 -0.047 0.000 2.217 371 D HA 0.315 4.955 4.640 0.001 0.000 0.243 371 D C -1.694 174.482 176.300 -0.207 0.000 1.054 371 D CA -2.079 51.679 54.000 -0.403 0.000 0.838 371 D CB 3.098 43.613 40.800 -0.475 0.000 1.162 371 D HN -0.008 nan 8.370 nan 0.000 0.472 372 P HA 0.111 nan 4.420 nan 0.000 0.251 372 P C -0.164 177.162 177.300 0.044 0.000 1.223 372 P CA -0.111 62.940 63.100 -0.082 0.000 0.796 372 P CB 0.620 32.229 31.700 -0.151 0.000 1.068 373 D N 0.350 120.765 120.400 0.024 0.000 2.354 373 D HA 0.005 4.645 4.640 0.001 0.000 0.238 373 D C 1.987 178.518 176.300 0.385 0.000 1.250 373 D CA -0.135 53.962 54.000 0.162 0.000 0.911 373 D CB 0.580 41.467 40.800 0.144 0.000 1.163 373 D HN 0.030 nan 8.370 nan 0.000 0.456 374 I N -1.639 119.134 120.570 0.338 0.000 2.208 374 I HA -0.113 4.058 4.170 0.001 0.000 0.245 374 I C 1.724 178.055 176.117 0.356 0.000 1.097 374 I CA 1.592 63.137 61.300 0.408 0.000 1.363 374 I CB -0.621 37.510 38.000 0.219 0.000 1.051 374 I HN 0.290 nan 8.210 nan 0.000 0.413 375 G N -1.064 107.865 108.800 0.215 0.000 3.181 375 G HA2 0.131 4.091 3.960 0.001 0.000 0.219 375 G HA3 0.131 4.091 3.960 0.001 0.000 0.219 375 G C 0.504 174.970 174.900 -0.724 0.000 1.182 375 G CA -0.217 44.801 45.100 -0.136 0.000 0.791 375 G HN 0.614 nan 8.290 nan 0.000 0.537 376 W N -1.861 119.292 121.300 -0.245 0.000 2.396 376 W HA 0.179 4.839 4.660 0.001 0.000 0.216 376 W C 1.864 178.134 176.519 -0.415 0.000 0.949 376 W CA -0.417 56.681 57.345 -0.412 0.000 1.168 376 W CB -0.134 29.209 29.460 -0.195 0.000 0.829 376 W HN 0.213 nan 8.180 nan 0.000 0.663 377 Y N 0.157 120.455 120.300 -0.003 0.000 2.293 377 Y HA -0.076 4.474 4.550 0.001 0.000 0.291 377 Y C 1.716 177.707 175.900 0.151 0.000 1.137 377 Y CA 1.150 59.296 58.100 0.077 0.000 1.202 377 Y CB -1.624 36.863 38.460 0.046 0.000 0.990 377 Y HN 0.013 nan 8.280 nan 0.000 0.537 378 F N 0.347 120.044 119.950 -0.422 0.000 2.776 378 F HA 0.359 4.887 4.527 0.001 0.000 0.300 378 F C 0.866 176.708 175.800 0.070 0.000 1.116 378 F CA -1.162 56.806 58.000 -0.052 0.000 1.375 378 F CB -0.505 38.260 39.000 -0.391 0.000 1.109 378 F HN -0.178 nan 8.300 nan 0.000 0.585 379 K N 2.260 122.272 120.400 -0.645 0.000 2.315 379 K HA 0.538 4.858 4.320 0.001 0.000 0.291 379 K C -0.931 175.708 176.600 0.065 0.000 1.074 379 K CA 0.051 56.042 56.287 -0.492 0.000 0.936 379 K CB -0.085 32.018 32.500 -0.662 0.000 1.049 379 K HN 0.351 nan 8.250 nan 0.000 0.471 380 A N 5.061 127.918 122.820 0.062 0.000 2.429 380 A HA 0.390 4.710 4.320 0.001 0.000 0.289 380 A C -1.878 175.809 177.584 0.172 0.000 1.043 380 A CA -0.755 51.436 52.037 0.256 0.000 0.722 380 A CB 0.596 19.722 19.000 0.211 0.000 1.243 380 A HN 0.589 nan 8.150 nan 0.000 0.415 381 Y N 1.742 122.153 120.300 0.186 0.000 2.326 381 Y HA 0.508 5.059 4.550 0.001 0.000 0.337 381 Y C 0.029 176.036 175.900 0.180 0.000 1.023 381 Y CA -1.039 57.177 58.100 0.193 0.000 1.143 381 Y CB 1.295 39.836 38.460 0.135 0.000 1.183 381 Y HN 0.469 nan 8.280 nan 0.000 0.485 382 L N 4.534 125.951 121.223 0.322 0.000 2.449 382 L HA 0.240 4.581 4.340 0.001 0.000 0.255 382 L C 0.911 177.958 176.870 0.295 0.000 1.167 382 L CA 0.127 55.115 54.840 0.246 0.000 1.090 382 L CB -0.125 42.028 42.059 0.157 0.000 1.385 382 L HN 0.624 nan 8.230 nan 0.000 0.411 383 D N 0.015 120.589 120.400 0.289 0.000 2.106 383 D HA -0.218 4.423 4.640 0.001 0.000 0.191 383 D C 2.062 178.542 176.300 0.300 0.000 0.997 383 D CA 1.990 56.172 54.000 0.303 0.000 0.834 383 D CB 0.149 41.073 40.800 0.206 0.000 0.956 383 D HN 0.572 nan 8.370 nan 0.000 0.448 384 S N 0.079 115.902 115.700 0.205 0.000 2.357 384 S HA -0.043 4.428 4.470 0.001 0.000 0.221 384 S C 2.271 176.928 174.600 0.095 0.000 1.031 384 S CA 1.344 59.645 58.200 0.168 0.000 0.982 384 S CB -0.868 62.408 63.200 0.127 0.000 0.853 384 S HN 0.263 nan 8.310 nan 0.000 0.458 385 G N 1.526 110.350 108.800 0.040 0.000 2.404 385 G HA2 -0.131 3.829 3.960 0.001 0.000 0.215 385 G HA3 -0.131 3.829 3.960 0.001 0.000 0.215 385 G C 1.114 176.002 174.900 -0.021 0.000 1.174 385 G CA 1.064 46.119 45.100 -0.075 0.000 0.780 385 G HN 0.515 nan 8.290 nan 0.000 0.537 386 D N -1.295 119.160 120.400 0.092 0.000 2.305 386 D HA 0.099 4.740 4.640 0.001 0.000 0.206 386 D C 1.207 177.445 176.300 -0.103 0.000 0.974 386 D CA 0.521 54.522 54.000 0.001 0.000 0.871 386 D CB 0.160 40.983 40.800 0.038 0.000 0.947 386 D HN 0.455 nan 8.370 nan 0.000 0.516 387 Y N -0.585 119.790 120.300 0.125 0.000 2.471 387 Y HA 0.354 4.905 4.550 0.001 0.000 0.249 387 Y C 0.954 176.938 175.900 0.141 0.000 1.116 387 Y CA -0.072 58.131 58.100 0.171 0.000 1.240 387 Y CB 0.911 39.518 38.460 0.245 0.000 1.251 387 Y HN -0.132 nan 8.280 nan 0.000 0.527 388 G N 1.540 110.487 108.800 0.244 0.000 2.883 388 G HA2 -0.276 3.685 3.960 0.001 0.000 0.219 388 G HA3 -0.276 3.685 3.960 0.001 0.000 0.219 388 G C 0.421 175.465 174.900 0.239 0.000 0.908 388 G CA 0.272 45.482 45.100 0.184 0.000 0.978 388 G HN 0.330 nan 8.290 nan 0.000 0.365 389 M N 1.778 121.544 119.600 0.275 0.000 2.288 389 M HA 0.073 4.554 4.480 0.001 0.000 0.266 389 M C 2.748 179.357 176.300 0.516 0.000 1.072 389 M CA 1.883 57.417 55.300 0.390 0.000 1.132 389 M CB -0.080 32.813 32.600 0.488 0.000 1.386 389 M HN 0.683 nan 8.290 nan 0.000 0.432 390 G N 0.093 109.111 108.800 0.365 0.000 2.459 390 G HA2 -0.223 3.738 3.960 0.001 0.000 0.217 390 G HA3 -0.223 3.738 3.960 0.001 0.000 0.217 390 G C 1.411 176.468 174.900 0.261 0.000 1.183 390 G CA 1.664 46.925 45.100 0.269 0.000 0.776 390 G HN 0.369 nan 8.290 nan 0.000 0.552 391 T N 1.077 115.748 114.554 0.195 0.000 2.803 391 T HA -0.029 4.321 4.350 0.001 0.000 0.269 391 T C 1.982 176.781 174.700 0.166 0.000 1.052 391 T CA 0.768 62.965 62.100 0.161 0.000 1.136 391 T CB -0.114 68.840 68.868 0.144 0.000 0.864 391 T HN 0.138 nan 8.240 nan 0.000 0.467 392 L N 1.193 122.533 121.223 0.196 0.000 2.685 392 L HA 0.167 4.508 4.340 0.001 0.000 0.233 392 L C 0.577 177.538 176.870 0.152 0.000 1.173 392 L CA -0.291 54.639 54.840 0.151 0.000 0.961 392 L CB -0.392 41.755 42.059 0.146 0.000 1.217 392 L HN 0.068 nan 8.230 nan 0.000 0.478 393 T N 0.338 115.037 114.554 0.242 0.000 2.923 393 T HA -0.039 4.312 4.350 0.001 0.000 0.304 393 T C 0.596 175.360 174.700 0.107 0.000 1.044 393 T CA 0.491 62.741 62.100 0.250 0.000 1.141 393 T CB 0.447 69.595 68.868 0.468 0.000 1.023 393 T HN 0.132 nan 8.240 nan 0.000 0.533 394 S N 5.352 121.060 115.700 0.013 0.000 2.429 394 S HA 0.380 4.850 4.470 0.001 0.000 0.302 394 S C -2.238 172.377 174.600 0.025 0.000 1.115 394 S CA -1.236 56.965 58.200 0.002 0.000 1.095 394 S CB 1.090 64.260 63.200 -0.052 0.000 0.987 394 S HN 0.457 nan 8.310 nan 0.000 0.474 395 P HA 0.070 nan 4.420 nan 0.000 0.265 395 P C -0.278 177.041 177.300 0.032 0.000 1.193 395 P CA -0.222 62.907 63.100 0.048 0.000 0.765 395 P CB 0.266 31.987 31.700 0.035 0.000 0.823 396 I N 1.946 122.545 120.570 0.048 0.000 2.618 396 I HA 0.021 4.191 4.170 0.001 0.000 0.284 396 I C 0.968 177.094 176.117 0.016 0.000 1.146 396 I CA -0.123 61.200 61.300 0.038 0.000 1.425 396 I CB -0.067 37.973 38.000 0.066 0.000 1.383 396 I HN 0.375 nan 8.210 nan 0.000 0.562 397 A N 7.930 130.751 122.820 0.003 0.000 2.544 397 A HA 0.158 4.478 4.320 0.001 0.000 0.301 397 A C 0.814 178.393 177.584 -0.009 0.000 1.368 397 A CA -0.406 51.628 52.037 -0.006 0.000 1.045 397 A CB -0.259 18.735 19.000 -0.011 0.000 1.129 397 A HN 0.770 nan 8.150 nan 0.000 0.540 398 R N 1.852 122.346 120.500 -0.008 0.000 2.494 398 R HA 0.188 4.528 4.340 0.001 0.000 0.291 398 R C 1.499 177.790 176.300 -0.016 0.000 0.953 398 R CA 1.741 57.835 56.100 -0.010 0.000 1.098 398 R CB 0.005 30.297 30.300 -0.013 0.000 0.911 398 R HN 1.484 nan 8.270 nan 0.000 0.407 399 G N 3.186 111.969 108.800 -0.027 0.000 2.284 399 G HA2 -0.353 3.608 3.960 0.001 0.000 0.247 399 G HA3 -0.353 3.608 3.960 0.001 0.000 0.247 399 G C 0.756 175.629 174.900 -0.044 0.000 1.012 399 G CA 0.682 45.762 45.100 -0.032 0.000 0.618 399 G HN 0.627 nan 8.290 nan 0.000 0.521 400 K N -0.630 119.747 120.400 -0.038 0.000 2.266 400 K HA 0.177 4.498 4.320 0.001 0.000 0.209 400 K C 1.521 178.097 176.600 -0.041 0.000 1.065 400 K CA 0.489 56.755 56.287 -0.035 0.000 0.946 400 K CB 0.002 32.489 32.500 -0.022 0.000 1.069 400 K HN 0.084 nan 8.250 nan 0.000 0.472 401 D N 0.768 121.149 120.400 -0.032 0.000 2.264 401 D HA 0.018 4.658 4.640 0.001 0.000 0.208 401 D C 0.048 176.331 176.300 -0.028 0.000 0.966 401 D CA 0.624 54.613 54.000 -0.018 0.000 0.864 401 D CB 0.341 41.137 40.800 -0.007 0.000 0.933 401 D HN 0.209 nan 8.370 nan 0.000 0.499 402 A N 0.067 122.833 122.820 -0.090 0.000 2.556 402 A HA 0.589 4.909 4.320 0.001 0.000 0.294 402 A C -2.694 174.709 177.584 -0.303 0.000 1.091 402 A CA -1.316 50.568 52.037 -0.256 0.000 0.704 402 A CB 1.574 20.474 19.000 -0.166 0.000 1.300 402 A HN -0.214 nan 8.150 nan 0.000 0.406 403 P HA 0.115 nan 4.420 nan 0.000 0.272 403 P C 0.962 178.166 177.300 -0.159 0.000 1.230 403 P CA 0.381 63.295 63.100 -0.309 0.000 0.788 403 P CB 0.805 32.279 31.700 -0.378 0.000 0.949 404 S N 0.584 116.243 115.700 -0.068 0.000 2.440 404 S HA -0.195 4.275 4.470 0.001 0.000 0.240 404 S C 1.163 175.788 174.600 0.042 0.000 1.014 404 S CA 1.219 59.418 58.200 -0.001 0.000 0.980 404 S CB -1.174 62.040 63.200 0.024 0.000 0.775 404 S HN 0.672 nan 8.310 nan 0.000 0.499 405 N N 1.895 120.620 118.700 0.042 0.000 2.295 405 N HA 0.354 5.095 4.740 0.001 0.000 0.221 405 N C 0.019 175.627 175.510 0.164 0.000 1.129 405 N CA 0.196 53.312 53.050 0.109 0.000 0.836 405 N CB -0.026 38.531 38.487 0.116 0.000 1.040 405 N HN 0.495 nan 8.380 nan 0.000 0.494 406 A N 0.166 123.062 122.820 0.128 0.000 2.286 406 A HA 0.576 4.896 4.320 0.001 0.000 0.286 406 A C -0.192 177.524 177.584 0.219 0.000 1.097 406 A CA -0.517 51.649 52.037 0.215 0.000 0.821 406 A CB 1.028 20.113 19.000 0.143 0.000 1.076 406 A HN 0.081 nan 8.150 nan 0.000 0.490 407 V N 1.835 121.906 119.914 0.263 0.000 2.435 407 V HA 0.355 4.475 4.120 0.001 0.000 0.290 407 V C -0.349 175.873 176.094 0.213 0.000 1.030 407 V CA -0.243 62.210 62.300 0.256 0.000 0.881 407 V CB 1.225 33.241 31.823 0.322 0.000 0.983 407 V HN 0.672 nan 8.190 nan 0.000 0.445 408 L N 6.075 127.409 121.223 0.185 0.000 2.280 408 L HA 0.549 4.889 4.340 0.001 0.000 0.287 408 L C -0.439 176.516 176.870 0.141 0.000 1.023 408 L CA -0.366 54.559 54.840 0.142 0.000 0.819 408 L CB 1.241 43.351 42.059 0.085 0.000 1.212 408 L HN 0.390 nan 8.230 nan 0.000 0.420 409 L N 3.347 124.655 121.223 0.141 0.000 2.375 409 L HA 0.402 4.743 4.340 0.001 0.000 0.271 409 L C -0.011 176.896 176.870 0.062 0.000 1.107 409 L CA -0.638 54.272 54.840 0.116 0.000 0.806 409 L CB 0.803 42.930 42.059 0.114 0.000 1.146 409 L HN 0.600 nan 8.230 nan 0.000 0.447 410 N N 2.011 120.723 118.700 0.020 0.000 2.487 410 N HA 0.405 5.145 4.740 0.001 0.000 0.292 410 N C -0.695 174.819 175.510 0.007 0.000 1.108 410 N CA -0.531 52.525 53.050 0.011 0.000 0.956 410 N CB 1.883 40.358 38.487 -0.019 0.000 1.176 410 N HN 0.491 nan 8.380 nan 0.000 0.484 411 E N 0.395 120.603 120.200 0.014 0.000 2.314 411 E HA 0.379 4.729 4.350 0.001 0.000 0.272 411 E C -0.861 175.741 176.600 0.003 0.000 0.884 411 E CA -0.570 55.830 56.400 -0.001 0.000 0.753 411 E CB 2.247 31.943 29.700 -0.008 0.000 1.213 411 E HN 0.320 nan 8.360 nan 0.000 0.432 412 T N 2.789 117.337 114.554 -0.009 0.000 2.792 412 T HA 0.624 4.975 4.350 0.001 0.000 0.280 412 T C 0.338 175.034 174.700 -0.008 0.000 0.990 412 T CA -0.510 61.586 62.100 -0.006 0.000 0.960 412 T CB 0.353 69.213 68.868 -0.013 0.000 0.939 412 T HN 0.427 nan 8.240 nan 0.000 0.439 413 I N -0.040 120.532 120.570 0.003 0.000 3.445 413 I HA 0.999 5.169 4.170 0.001 0.000 0.303 413 I C -0.544 175.574 176.117 0.001 0.000 1.129 413 I CA -1.806 59.496 61.300 0.004 0.000 0.989 413 I CB 1.674 39.687 38.000 0.022 0.000 1.314 413 I HN 0.573 nan 8.210 nan 0.000 0.488 414 A N 1.820 124.641 122.820 0.001 0.000 2.301 414 A HA 0.555 4.876 4.320 0.001 0.000 0.312 414 A C -0.658 176.945 177.584 0.032 0.000 1.182 414 A CA -0.434 51.594 52.037 -0.014 0.000 0.826 414 A CB 0.424 19.393 19.000 -0.052 0.000 1.134 414 A HN 0.855 nan 8.150 nan 0.000 0.501 415 D N 0.400 120.816 120.400 0.027 0.000 2.478 415 D HA 0.111 4.752 4.640 0.001 0.000 0.269 415 D C 0.750 177.129 176.300 0.132 0.000 1.232 415 D CA 0.035 54.094 54.000 0.097 0.000 1.059 415 D CB -0.069 40.778 40.800 0.078 0.000 1.104 415 D HN 0.608 nan 8.370 nan 0.000 0.566 416 Y N -2.339 118.035 120.300 0.124 0.000 2.509 416 Y HA 0.054 4.604 4.550 0.000 0.000 0.293 416 Y C 1.850 177.934 175.900 0.308 0.000 1.133 416 Y CA 1.150 59.364 58.100 0.191 0.000 1.283 416 Y CB -1.046 37.495 38.460 0.136 0.000 1.001 416 Y HN 0.352 nan 8.280 nan 0.000 0.555 417 T N -3.489 110.820 114.554 -0.408 0.000 3.107 417 T HA 0.418 4.768 4.350 0.001 0.000 0.249 417 T C 1.570 176.294 174.700 0.040 0.000 1.096 417 T CA 0.302 62.317 62.100 -0.142 0.000 1.012 417 T CB -0.426 68.230 68.868 -0.354 0.000 0.977 417 T HN 0.896 nan 8.240 nan 0.000 0.527 418 G N 0.568 109.299 108.800 -0.114 0.000 2.132 418 G HA2 -0.187 3.773 3.960 0.001 0.000 0.234 418 G HA3 -0.187 3.773 3.960 0.001 0.000 0.234 418 G C -0.095 174.650 174.900 -0.259 0.000 0.989 418 G CA -0.141 44.693 45.100 -0.443 0.000 0.676 418 G HN 0.695 nan 8.290 nan 0.000 0.522 419 V N 1.363 121.186 119.914 -0.151 0.000 2.439 419 V HA 0.475 4.596 4.120 0.001 0.000 0.282 419 V C -1.465 174.586 176.094 -0.072 0.000 1.039 419 V CA -1.791 60.447 62.300 -0.103 0.000 0.913 419 V CB 1.642 33.418 31.823 -0.077 0.000 0.983 419 V HN 0.082 nan 8.190 nan 0.000 0.460 420 P HA 0.101 nan 4.420 nan 0.000 0.266 420 P C -0.524 176.765 177.300 -0.018 0.000 1.193 420 P CA 0.208 63.285 63.100 -0.039 0.000 0.770 420 P CB 0.284 31.962 31.700 -0.037 0.000 0.836 421 M N 1.074 120.672 119.600 -0.004 0.000 2.182 421 M HA 0.302 4.782 4.480 0.001 0.000 0.266 421 M C -1.172 175.138 176.300 0.016 0.000 0.989 421 M CA -0.406 54.902 55.300 0.013 0.000 1.003 421 M CB 1.776 34.394 32.600 0.031 0.000 1.812 421 M HN 0.133 nan 8.290 nan 0.000 0.472 422 E N 4.893 125.101 120.200 0.013 0.000 2.194 422 E HA 0.391 4.742 4.350 0.001 0.000 0.284 422 E C -1.180 175.435 176.600 0.024 0.000 1.035 422 E CA -0.441 55.966 56.400 0.012 0.000 0.836 422 E CB 1.086 30.786 29.700 0.001 0.000 1.070 422 E HN 0.772 nan 8.360 nan 0.000 0.401 423 I N 7.930 128.521 120.570 0.034 0.000 2.301 423 I HA 0.194 4.364 4.170 0.001 0.000 0.292 423 I C -1.967 174.176 176.117 0.043 0.000 1.046 423 I CA -2.031 59.300 61.300 0.052 0.000 1.282 423 I CB 0.959 39.010 38.000 0.085 0.000 1.409 423 I HN 0.294 nan 8.210 nan 0.000 0.484 424 P HA 0.124 nan 4.420 nan 0.000 0.275 424 P C -0.519 176.803 177.300 0.037 0.000 1.228 424 P CA -0.363 62.747 63.100 0.017 0.000 0.786 424 P CB 0.559 32.260 31.700 0.003 0.000 0.927 425 R N 0.870 121.389 120.500 0.031 0.000 3.301 425 R HA -0.222 4.119 4.340 0.001 0.000 0.249 425 R C 1.060 177.420 176.300 0.100 0.000 0.964 425 R CA 0.465 56.599 56.100 0.055 0.000 0.653 425 R CB -2.390 27.931 30.300 0.035 0.000 1.043 425 R HN 0.607 nan 8.270 nan 0.000 0.454 426 A N 0.146 123.038 122.820 0.120 0.000 2.016 426 A HA 0.158 4.479 4.320 0.001 0.000 0.217 426 A C 0.959 178.711 177.584 0.281 0.000 1.162 426 A CA 0.794 52.947 52.037 0.193 0.000 0.662 426 A CB 0.411 19.506 19.000 0.159 0.000 0.812 426 A HN 0.368 nan 8.150 nan 0.000 0.450 427 I N -1.339 119.354 120.570 0.205 0.000 2.722 427 I HA 0.522 4.692 4.170 0.001 0.000 0.295 427 I C -0.497 175.732 176.117 0.186 0.000 1.161 427 I CA -0.775 60.661 61.300 0.227 0.000 1.032 427 I CB 2.261 40.349 38.000 0.148 0.000 1.244 427 I HN 0.073 nan 8.210 nan 0.000 0.421 428 A N 5.544 128.497 122.820 0.222 0.000 2.304 428 A HA 0.818 5.139 4.320 0.001 0.000 0.323 428 A C -0.854 176.844 177.584 0.190 0.000 1.195 428 A CA -0.506 51.672 52.037 0.235 0.000 0.826 428 A CB 1.293 20.478 19.000 0.309 0.000 1.184 428 A HN 0.413 nan 8.150 nan 0.000 0.496 429 V N 3.196 123.177 119.914 0.112 0.000 2.409 429 V HA 0.697 4.817 4.120 0.001 0.000 0.291 429 V C -0.908 175.172 176.094 -0.024 0.000 1.020 429 V CA -0.274 61.946 62.300 -0.133 0.000 0.848 429 V CB 0.431 32.043 31.823 -0.353 0.000 0.990 429 V HN 0.844 nan 8.190 nan 0.000 0.430 430 F N 1.243 121.066 119.950 -0.212 0.000 2.615 430 F HA 0.705 5.232 4.527 0.001 0.000 0.312 430 F C -0.653 175.059 175.800 -0.147 0.000 1.119 430 F CA -1.094 56.850 58.000 -0.094 0.000 0.979 430 F CB 1.427 40.424 39.000 -0.005 0.000 1.266 430 F HN 0.504 nan 8.300 nan 0.000 0.444 431 E N 3.631 123.892 120.200 0.102 0.000 2.301 431 E HA 0.583 4.933 4.350 0.001 0.000 0.275 431 E C -0.894 175.813 176.600 0.179 0.000 1.030 431 E CA -0.785 55.626 56.400 0.018 0.000 0.852 431 E CB 1.066 30.872 29.700 0.176 0.000 1.060 431 E HN 0.870 nan 8.360 nan 0.000 0.401 432 R N 3.263 123.835 120.500 0.119 0.000 2.651 432 R HA 0.211 4.551 4.340 0.001 0.000 0.278 432 R C -1.442 174.945 176.300 0.145 0.000 1.010 432 R CA -0.978 55.228 56.100 0.176 0.000 0.896 432 R CB 0.560 30.983 30.300 0.206 0.000 1.211 432 R HN 0.575 nan 8.270 nan 0.000 0.456 433 Y N 2.079 122.412 120.300 0.055 0.000 2.544 433 Y HA 0.351 4.901 4.550 0.001 0.000 0.330 433 Y C -0.368 175.532 175.900 0.001 0.000 1.136 433 Y CA 0.412 58.530 58.100 0.030 0.000 1.417 433 Y CB 1.006 39.479 38.460 0.021 0.000 1.229 433 Y HN 0.837 nan 8.280 nan 0.000 0.532 434 A N 5.693 128.151 122.820 -0.604 0.000 2.959 434 A HA 0.611 4.932 4.320 0.001 0.000 0.280 434 A C 0.589 177.799 177.584 -0.623 0.000 0.953 434 A CA 0.089 51.841 52.037 -0.475 0.000 1.047 434 A CB -0.767 18.065 19.000 -0.280 0.000 1.147 434 A HN 1.756 nan 8.150 nan 0.000 0.489 435 G N 0.819 108.892 108.800 -1.212 0.000 2.782 435 G HA2 -0.099 3.861 3.960 0.001 0.000 0.228 435 G HA3 -0.099 3.861 3.960 0.001 0.000 0.228 435 G C -2.984 171.665 174.900 -0.418 0.000 1.372 435 G CA -0.442 44.286 45.100 -0.620 0.000 0.862 435 G HN 0.487 nan 8.290 nan 0.000 0.547 436 P HA 0.250 nan 4.420 nan 0.000 0.271 436 P C 0.558 177.784 177.300 -0.124 0.000 1.226 436 P CA 0.181 63.223 63.100 -0.096 0.000 0.765 436 P CB 1.588 33.278 31.700 -0.018 0.000 0.835 437 E N 4.524 124.611 120.200 -0.189 0.000 2.051 437 E HA -0.163 4.187 4.350 0.001 0.000 0.192 437 E C 0.095 176.652 176.600 -0.072 0.000 0.991 437 E CA 1.822 58.116 56.400 -0.176 0.000 0.799 437 E CB -0.332 29.184 29.700 -0.306 0.000 0.748 437 E HN 0.586 nan 8.360 nan 0.000 0.449 438 Y N -3.017 117.283 120.300 -0.000 0.000 2.689 438 Y HA 0.654 5.205 4.550 0.001 0.000 0.333 438 Y C -1.219 174.694 175.900 0.022 0.000 1.208 438 Y CA -1.782 56.321 58.100 0.006 0.000 1.055 438 Y CB 0.702 39.160 38.460 -0.003 0.000 1.304 438 Y HN -0.126 nan 8.280 nan 0.000 0.455 439 K N 1.145 121.766 120.400 0.369 0.000 2.557 439 K HA 0.497 4.818 4.320 0.001 0.000 0.261 439 K C -2.627 174.126 176.600 0.256 0.000 0.932 439 K CA -0.721 55.724 56.287 0.263 0.000 0.829 439 K CB 2.083 34.665 32.500 0.135 0.000 1.358 439 K HN 1.046 nan 8.250 nan 0.000 0.430 440 H N 1.925 121.051 119.070 0.094 0.000 2.877 440 H HA 0.271 4.828 4.556 0.001 0.000 0.347 440 H C -1.725 173.624 175.328 0.035 0.000 1.042 440 H CA -0.334 55.739 56.048 0.041 0.000 1.276 440 H CB 1.947 31.713 29.762 0.006 0.000 1.681 440 H HN 0.522 nan 8.280 nan 0.000 0.521 441 Q N 3.714 123.224 119.800 -0.483 0.000 2.626 441 Q HA 0.240 4.581 4.340 0.001 0.000 0.239 441 Q C -0.916 174.751 176.000 -0.555 0.000 1.101 441 Q CA -0.780 54.801 55.803 -0.370 0.000 0.918 441 Q CB 0.515 29.154 28.738 -0.166 0.000 1.151 441 Q HN 0.606 nan 8.270 nan 0.000 0.531 442 E N 2.570 122.411 120.200 -0.599 0.000 2.415 442 E HA 0.069 4.420 4.350 0.001 0.000 0.263 442 E C -0.559 175.955 176.600 -0.143 0.000 0.995 442 E CA -0.130 56.080 56.400 -0.317 0.000 0.915 442 E CB 0.417 30.075 29.700 -0.070 0.000 0.951 442 E HN 0.710 nan 8.360 nan 0.000 0.449 443 M N 4.739 124.291 119.600 -0.080 0.000 2.261 443 M HA 0.170 4.650 4.480 0.001 0.000 0.350 443 M C 1.165 177.446 176.300 -0.031 0.000 1.343 443 M CA 1.793 57.066 55.300 -0.045 0.000 1.003 443 M CB -0.168 32.421 32.600 -0.018 0.000 1.848 443 M HN 0.693 nan 8.290 nan 0.000 0.456 444 G N 2.367 111.149 108.800 -0.029 0.000 2.212 444 G HA2 -0.197 3.763 3.960 0.001 0.000 0.266 444 G HA3 -0.197 3.763 3.960 0.001 0.000 0.266 444 G C 0.061 174.949 174.900 -0.020 0.000 0.978 444 G CA 0.340 45.428 45.100 -0.020 0.000 0.632 444 G HN 0.700 nan 8.290 nan 0.000 0.537 445 Q N 0.245 120.027 119.800 -0.030 0.000 2.241 445 Q HA 0.535 4.875 4.340 0.001 0.000 0.262 445 Q C -2.582 173.401 176.000 -0.029 0.000 1.014 445 Q CA -1.877 53.911 55.803 -0.025 0.000 0.885 445 Q CB 1.074 29.800 28.738 -0.021 0.000 1.311 445 Q HN 0.176 nan 8.270 nan 0.000 0.461 446 P HA 0.029 nan 4.420 nan 0.000 0.267 446 P C -0.205 177.084 177.300 -0.018 0.000 1.205 446 P CA -0.125 62.967 63.100 -0.014 0.000 0.765 446 P CB 0.318 32.016 31.700 -0.003 0.000 0.828 447 N N 2.266 120.954 118.700 -0.020 0.000 2.344 447 N HA 0.087 4.828 4.740 0.001 0.000 0.236 447 N C -1.058 174.461 175.510 0.014 0.000 1.279 447 N CA 0.307 53.346 53.050 -0.018 0.000 0.882 447 N CB 0.313 38.793 38.487 -0.011 0.000 1.110 447 N HN 0.041 nan 8.380 nan 0.000 0.436 448 V N 1.669 121.607 119.914 0.040 0.000 2.447 448 V HA 0.472 4.592 4.120 0.001 0.000 0.292 448 V C -0.753 175.420 176.094 0.131 0.000 1.021 448 V CA -0.594 61.764 62.300 0.097 0.000 0.850 448 V CB 1.074 32.979 31.823 0.137 0.000 1.005 448 V HN 0.732 nan 8.190 nan 0.000 0.426 449 S N 2.612 118.366 115.700 0.090 0.000 2.548 449 S HA 0.823 5.294 4.470 0.001 0.000 0.276 449 S C -0.256 174.318 174.600 -0.043 0.000 1.129 449 S CA -0.679 57.546 58.200 0.043 0.000 0.931 449 S CB 2.351 65.568 63.200 0.030 0.000 1.068 449 S HN 0.941 nan 8.310 nan 0.000 0.480 450 T N -0.566 113.867 114.554 -0.202 0.000 2.907 450 T HA 0.692 5.043 4.350 0.001 0.000 0.292 450 T C -0.815 173.773 174.700 -0.187 0.000 1.043 450 T CA -1.075 60.883 62.100 -0.236 0.000 1.003 450 T CB 1.416 70.023 68.868 -0.435 0.000 1.084 450 T HN 0.652 nan 8.240 nan 0.000 0.483 451 E N 1.324 121.474 120.200 -0.083 0.000 2.277 451 E HA 0.425 4.775 4.350 0.001 0.000 0.274 451 E C -0.280 176.262 176.600 -0.095 0.000 1.022 451 E CA -1.135 55.254 56.400 -0.019 0.000 0.853 451 E CB 1.454 31.262 29.700 0.179 0.000 1.086 451 E HN 0.684 nan 8.360 nan 0.000 0.397 452 R N 1.754 122.147 120.500 -0.178 0.000 2.349 452 R HA 0.249 4.589 4.340 0.001 0.000 0.299 452 R C -0.708 175.542 176.300 -0.083 0.000 1.027 452 R CA -0.644 55.374 56.100 -0.137 0.000 0.958 452 R CB 0.754 30.951 30.300 -0.173 0.000 1.047 452 R HN 0.476 nan 8.270 nan 0.000 0.468 453 R N 3.071 123.610 120.500 0.064 0.000 2.599 453 R HA 0.317 4.658 4.340 0.001 0.000 0.295 453 R C -0.983 175.480 176.300 0.272 0.000 0.963 453 R CA -0.699 55.519 56.100 0.197 0.000 0.883 453 R CB 1.998 32.516 30.300 0.364 0.000 1.171 453 R HN 0.741 nan 8.270 nan 0.000 0.450 454 E N 1.858 122.107 120.200 0.081 0.000 2.210 454 E HA 0.305 4.656 4.350 0.001 0.000 0.266 454 E C -0.852 175.522 176.600 -0.377 0.000 0.883 454 E CA -1.059 55.282 56.400 -0.098 0.000 0.761 454 E CB 2.582 32.101 29.700 -0.303 0.000 1.156 454 E HN 0.113 nan 8.360 nan 0.000 0.412 455 L N 3.487 124.254 121.223 -0.761 0.000 2.276 455 L HA 0.316 4.657 4.340 0.001 0.000 0.286 455 L C -1.178 175.356 176.870 -0.559 0.000 1.061 455 L CA -0.406 53.851 54.840 -0.972 0.000 0.807 455 L CB 1.149 42.295 42.059 -1.522 0.000 1.177 455 L HN 0.310 nan 8.230 nan 0.000 0.429 456 V N 5.665 125.138 119.914 -0.735 0.000 2.513 456 V HA 0.493 4.614 4.120 0.001 0.000 0.299 456 V C -0.499 175.266 176.094 -0.547 0.000 1.035 456 V CA -0.740 61.143 62.300 -0.694 0.000 0.889 456 V CB 1.937 33.051 31.823 -1.180 0.000 0.988 456 V HN 0.469 nan 8.190 nan 0.000 0.440 457 V N 5.372 125.192 119.914 -0.158 0.000 2.326 457 V HA 0.523 4.643 4.120 0.001 0.000 0.281 457 V C 0.030 176.241 176.094 0.195 0.000 1.015 457 V CA -0.588 61.717 62.300 0.009 0.000 0.823 457 V CB 1.238 33.113 31.823 0.087 0.000 1.009 457 V HN 0.874 nan 8.190 nan 0.000 0.436 458 R N 3.760 124.404 120.500 0.240 0.000 2.562 458 R HA 0.596 4.937 4.340 0.001 0.000 0.298 458 R C -1.843 174.732 176.300 0.459 0.000 0.961 458 R CA -0.596 55.735 56.100 0.386 0.000 0.881 458 R CB 1.853 32.418 30.300 0.441 0.000 1.159 458 R HN 0.681 nan 8.270 nan 0.000 0.450 459 W N 6.616 128.096 121.300 0.299 0.000 2.998 459 W HA 0.544 5.204 4.660 0.000 0.000 0.335 459 W C -1.930 174.769 176.519 0.301 0.000 1.110 459 W CA -0.753 56.748 57.345 0.261 0.000 1.230 459 W CB 1.188 30.792 29.460 0.240 0.000 1.405 459 W HN 0.398 nan 8.180 nan 0.000 0.493 460 I N 5.622 125.925 120.570 -0.445 0.000 2.466 460 I HA 0.382 4.553 4.170 0.001 0.000 0.289 460 I C -0.300 175.349 176.117 -0.781 0.000 1.026 460 I CA -0.925 60.063 61.300 -0.520 0.000 1.078 460 I CB 1.839 39.714 38.000 -0.209 0.000 1.249 460 I HN 0.403 nan 8.210 nan 0.000 0.429 461 S N 4.047 119.303 115.700 -0.739 0.000 2.526 461 S HA 0.678 5.149 4.470 0.001 0.000 0.293 461 S C -0.668 173.851 174.600 -0.135 0.000 1.092 461 S CA -0.255 57.706 58.200 -0.397 0.000 0.980 461 S CB 1.851 64.818 63.200 -0.389 0.000 1.048 461 S HN 0.585 nan 8.310 nan 0.000 0.483 462 T N 3.307 117.827 114.554 -0.056 0.000 2.841 462 T HA 0.598 4.948 4.350 0.001 0.000 0.283 462 T C -1.178 173.532 174.700 0.016 0.000 1.000 462 T CA -0.492 61.575 62.100 -0.055 0.000 0.977 462 T CB 1.437 70.256 68.868 -0.082 0.000 0.979 462 T HN 0.507 nan 8.240 nan 0.000 0.446 463 V N 3.296 123.212 119.914 0.003 0.000 2.439 463 V HA 0.626 4.747 4.120 0.001 0.000 0.277 463 V C 0.956 177.041 176.094 -0.015 0.000 1.008 463 V CA 0.136 62.451 62.300 0.024 0.000 0.846 463 V CB 0.347 32.186 31.823 0.028 0.000 1.031 463 V HN 1.265 nan 8.190 nan 0.000 0.441 464 G N 5.446 114.317 108.800 0.118 0.000 2.601 464 G HA2 -0.294 3.666 3.960 0.001 0.000 0.306 464 G HA3 -0.294 3.666 3.960 0.001 0.000 0.306 464 G C 0.301 175.203 174.900 0.003 0.000 1.172 464 G CA 0.578 45.835 45.100 0.261 0.000 0.966 464 G HN 0.922 nan 8.290 nan 0.000 0.542 468 Y N 1.130 121.272 120.300 -0.263 0.000 2.387 468 Y HA 0.699 5.249 4.550 0.001 0.000 0.336 468 Y C 0.190 175.812 175.900 -0.463 0.000 1.067 468 Y CA -0.820 57.059 58.100 -0.367 0.000 1.114 468 Y CB 1.337 39.693 38.460 -0.173 0.000 1.208 468 Y HN 0.242 nan 8.280 nan 0.000 0.458 469 I N 3.498 123.759 120.570 -0.515 0.000 2.509 469 I HA 0.415 4.585 4.170 0.001 0.000 0.293 469 I C -1.350 174.467 176.117 -0.500 0.000 1.020 469 I CA -0.686 60.387 61.300 -0.377 0.000 1.088 469 I CB 1.540 39.344 38.000 -0.327 0.000 1.267 469 I HN 0.354 nan 8.210 nan 0.000 0.430 470 F N 3.094 123.131 119.950 0.146 0.000 2.493 470 F HA 0.425 4.953 4.527 0.001 0.000 0.329 470 F C -0.404 175.575 175.800 0.298 0.000 1.126 470 F CA -0.737 57.416 58.000 0.254 0.000 0.937 470 F CB 1.550 40.840 39.000 0.482 0.000 1.146 470 F HN 0.309 nan 8.300 nan 0.000 0.442 471 D N 2.524 123.096 120.400 0.287 0.000 2.344 471 D HA 0.236 4.876 4.640 0.001 0.000 0.239 471 D C -1.297 174.929 176.300 -0.123 0.000 1.064 471 D CA -0.220 53.875 54.000 0.159 0.000 0.829 471 D CB 1.168 42.018 40.800 0.083 0.000 1.129 471 D HN 0.331 nan 8.370 nan 0.000 0.506 472 W N 2.859 124.118 121.300 -0.067 0.000 2.314 472 W HA 0.494 5.154 4.660 0.001 0.000 0.310 472 W C -0.008 176.298 176.519 -0.354 0.000 1.075 472 W CA -0.562 56.627 57.345 -0.260 0.000 1.253 472 W CB 0.654 29.976 29.460 -0.230 0.000 1.238 472 W HN 0.126 nan 8.180 nan 0.000 0.440 473 I N 4.330 124.680 120.570 -0.367 0.000 2.389 473 I HA 0.345 4.515 4.170 0.001 0.000 0.288 473 I C -0.929 174.943 176.117 -0.408 0.000 0.999 473 I CA -0.896 60.224 61.300 -0.301 0.000 1.129 473 I CB 0.838 38.707 38.000 -0.218 0.000 1.288 473 I HN 0.143 nan 8.210 nan 0.000 0.444 474 F N 4.526 124.312 119.950 -0.272 0.000 2.332 474 F HA 0.380 4.908 4.527 0.001 0.000 0.368 474 F C 0.738 176.665 175.800 0.212 0.000 1.110 474 F CA -0.658 57.196 58.000 -0.243 0.000 1.087 474 F CB 0.426 38.981 39.000 -0.742 0.000 1.235 474 F HN 0.396 nan 8.300 nan 0.000 0.470 475 H N 2.504 121.796 119.070 0.371 0.000 2.683 475 H HA 0.024 4.581 4.556 0.001 0.000 0.339 475 H C 0.983 176.769 175.328 0.764 0.000 1.081 475 H CA -0.148 56.172 56.048 0.453 0.000 1.432 475 H CB 1.399 31.320 29.762 0.265 0.000 1.462 475 H HN 0.753 nan 8.280 nan 0.000 0.557 476 E N 2.274 122.879 120.200 0.675 0.000 2.209 476 E HA -0.213 4.137 4.350 0.001 0.000 0.196 476 E C 1.018 177.817 176.600 0.331 0.000 0.993 476 E CA 1.323 57.972 56.400 0.414 0.000 0.819 476 E CB 0.156 29.928 29.700 0.120 0.000 0.745 476 E HN 0.641 nan 8.360 nan 0.000 0.477 477 N N -1.068 117.825 118.700 0.321 0.000 2.383 477 N HA 0.047 4.788 4.740 0.001 0.000 0.192 477 N C 0.946 176.512 175.510 0.093 0.000 1.141 477 N CA 0.875 53.999 53.050 0.124 0.000 0.851 477 N CB 0.702 39.242 38.487 0.088 0.000 0.976 477 N HN 0.188 nan 8.380 nan 0.000 0.465 478 G N -1.711 107.331 108.800 0.404 0.000 2.195 478 G HA2 -0.251 3.709 3.960 0.001 0.000 0.224 478 G HA3 -0.251 3.709 3.960 0.001 0.000 0.224 478 G C 0.070 175.375 174.900 0.675 0.000 0.990 478 G CA 0.200 45.548 45.100 0.415 0.000 0.639 478 G HN 0.445 nan 8.290 nan 0.000 0.514 479 T N 1.455 116.265 114.554 0.426 0.000 2.907 479 T HA 0.583 4.934 4.350 0.001 0.000 0.298 479 T C 0.471 175.230 174.700 0.098 0.000 1.017 479 T CA 0.382 62.557 62.100 0.127 0.000 1.118 479 T CB 1.167 69.821 68.868 -0.356 0.000 0.948 479 T HN 0.321 nan 8.240 nan 0.000 0.531 480 I N 2.061 122.604 120.570 -0.044 0.000 2.406 480 I HA 0.526 4.697 4.170 0.001 0.000 0.290 480 I C 0.704 176.653 176.117 -0.279 0.000 0.999 480 I CA -0.823 60.322 61.300 -0.258 0.000 1.124 480 I CB 1.871 39.641 38.000 -0.383 0.000 1.289 480 I HN 0.664 nan 8.210 nan 0.000 0.441 481 G N 6.485 115.127 108.800 -0.264 0.000 2.432 481 G HA2 0.833 4.794 3.960 0.001 0.000 0.331 481 G HA3 0.833 4.794 3.960 0.001 0.000 0.331 481 G C -0.907 173.726 174.900 -0.445 0.000 1.170 481 G CA -0.491 44.459 45.100 -0.251 0.000 0.943 481 G HN 0.519 nan 8.290 nan 0.000 0.483 482 I N 1.572 121.828 120.570 -0.522 0.000 2.497 482 I HA 0.253 4.424 4.170 0.001 0.000 0.284 482 I C -1.464 174.343 176.117 -0.517 0.000 1.060 482 I CA -0.782 60.025 61.300 -0.821 0.000 1.071 482 I CB 2.193 39.319 38.000 -1.456 0.000 1.216 482 I HN 0.213 nan 8.210 nan 0.000 0.442 483 D N 5.084 125.315 120.400 -0.281 0.000 2.252 483 D HA 0.730 5.371 4.640 0.001 0.000 0.245 483 D C -0.471 175.864 176.300 0.058 0.000 1.009 483 D CA -0.302 53.697 54.000 -0.001 0.000 0.870 483 D CB 2.439 43.337 40.800 0.164 0.000 1.251 483 D HN 0.553 nan 8.370 nan 0.000 0.460 484 A N 0.870 123.654 122.820 -0.060 0.000 2.330 484 A HA 0.738 5.058 4.320 0.001 0.000 0.313 484 A C 0.136 177.309 177.584 -0.685 0.000 1.124 484 A CA -0.677 51.029 52.037 -0.553 0.000 0.774 484 A CB 1.334 19.712 19.000 -1.037 0.000 1.198 484 A HN 0.486 nan 8.150 nan 0.000 0.465 485 G N 0.458 108.592 108.800 -1.110 0.000 2.400 485 G HA2 0.706 4.666 3.960 0.001 0.000 0.333 485 G HA3 0.706 4.666 3.960 0.001 0.000 0.333 485 G C -0.430 173.946 174.900 -0.873 0.000 1.143 485 G CA 0.037 44.221 45.100 -1.527 0.000 0.914 485 G HN 1.561 nan 8.290 nan 0.000 0.480 486 A N 1.167 123.556 122.820 -0.718 0.000 2.335 486 A HA 0.866 5.186 4.320 0.001 0.000 0.304 486 A C -0.153 177.121 177.584 -0.515 0.000 1.118 486 A CA -0.419 51.301 52.037 -0.528 0.000 0.757 486 A CB 1.995 20.741 19.000 -0.423 0.000 1.188 486 A HN 1.044 nan 8.150 nan 0.000 0.460 487 T N 0.649 114.891 114.554 -0.520 0.000 2.647 487 T HA 0.859 5.210 4.350 0.001 0.000 0.295 487 T C 0.225 174.671 174.700 -0.424 0.000 1.126 487 T CA 0.957 62.817 62.100 -0.399 0.000 1.040 487 T CB 1.087 69.741 68.868 -0.356 0.000 1.472 487 T HN 2.706 nan 8.240 nan 0.000 0.500 488 G N 0.471 109.041 108.800 -0.383 0.000 2.384 488 G HA2 0.099 4.059 3.960 0.001 0.000 0.204 488 G HA3 0.099 4.059 3.960 0.001 0.000 0.204 488 G C -1.548 173.083 174.900 -0.449 0.000 1.237 488 G CA -0.292 44.535 45.100 -0.455 0.000 1.060 488 G HN 0.807 nan 8.290 nan 0.000 0.514 489 I N 0.998 121.233 120.570 -0.559 0.000 2.498 489 I HA 0.470 4.641 4.170 0.001 0.000 0.301 489 I C 0.657 176.562 176.117 -0.355 0.000 0.984 489 I CA -0.806 60.196 61.300 -0.496 0.000 1.204 489 I CB 1.262 38.839 38.000 -0.705 0.000 1.362 489 I HN 0.598 nan 8.210 nan 0.000 0.471 490 E N 2.509 122.696 120.200 -0.021 0.000 2.301 490 E HA 0.434 4.784 4.350 0.001 0.000 0.275 490 E C -0.360 176.294 176.600 0.091 0.000 1.030 490 E CA -0.621 55.820 56.400 0.068 0.000 0.852 490 E CB 1.649 31.476 29.700 0.211 0.000 1.060 490 E HN 0.675 nan 8.360 nan 0.000 0.401 491 A N 3.003 125.862 122.820 0.064 0.000 2.444 491 A HA 0.243 4.564 4.320 0.001 0.000 0.287 491 A C 0.265 178.091 177.584 0.404 0.000 1.195 491 A CA -0.445 51.733 52.037 0.234 0.000 0.858 491 A CB -0.546 18.518 19.000 0.107 0.000 1.117 491 A HN 0.367 nan 8.150 nan 0.000 0.521 492 V N 0.777 120.939 119.914 0.412 0.000 2.713 492 V HA 0.680 4.800 4.120 0.001 0.000 0.307 492 V C -0.097 176.255 176.094 0.429 0.000 1.052 492 V CA -1.077 61.370 62.300 0.246 0.000 0.967 492 V CB 1.543 33.314 31.823 -0.086 0.000 1.019 492 V HN 0.807 nan 8.190 nan 0.000 0.459 493 K N 2.536 123.056 120.400 0.199 0.000 2.185 493 K HA 0.644 4.964 4.320 0.001 0.000 0.269 493 K C 0.247 176.918 176.600 0.119 0.000 0.987 493 K CA -0.226 56.207 56.287 0.243 0.000 0.865 493 K CB 1.259 33.654 32.500 -0.174 0.000 1.090 493 K HN 1.187 nan 8.250 nan 0.000 0.450 494 G N 2.764 111.668 108.800 0.173 0.000 2.378 494 G HA2 0.399 4.360 3.960 0.001 0.000 0.255 494 G HA3 0.399 4.360 3.960 0.001 0.000 0.255 494 G C -0.443 174.499 174.900 0.071 0.000 1.270 494 G CA -0.292 44.875 45.100 0.111 0.000 0.876 494 G HN 0.532 nan 8.290 nan 0.000 0.521 495 V N 0.226 120.165 119.914 0.042 0.000 3.160 495 V HA 0.607 4.727 4.120 0.001 0.000 0.310 495 V C 0.785 176.898 176.094 0.033 0.000 1.181 495 V CA -1.126 61.191 62.300 0.027 0.000 1.047 495 V CB 2.024 33.845 31.823 -0.002 0.000 1.068 495 V HN 0.613 nan 8.190 nan 0.000 0.441 496 K N 0.686 121.102 120.400 0.026 0.000 2.305 496 K HA 0.434 4.755 4.320 0.001 0.000 0.199 496 K C 0.940 177.557 176.600 0.028 0.000 1.047 496 K CA 0.957 57.261 56.287 0.028 0.000 0.976 496 K CB 0.211 32.724 32.500 0.022 0.000 0.765 496 K HN 0.959 nan 8.250 nan 0.000 0.474 497 A N 1.441 124.274 122.820 0.023 0.000 2.409 497 A HA 0.095 4.415 4.320 0.001 0.000 0.262 497 A C 0.509 178.127 177.584 0.056 0.000 1.113 497 A CA -0.065 51.989 52.037 0.028 0.000 0.790 497 A CB 0.513 19.519 19.000 0.010 0.000 1.046 497 A HN 0.137 nan 8.150 nan 0.000 0.496 498 K N 0.346 120.787 120.400 0.069 0.000 2.186 498 K HA 0.029 4.349 4.320 0.001 0.000 0.202 498 K C 0.728 177.472 176.600 0.241 0.000 1.052 498 K CA 1.568 57.938 56.287 0.138 0.000 0.965 498 K CB 0.093 32.581 32.500 -0.020 0.000 0.746 498 K HN 0.924 nan 8.250 nan 0.000 0.457 499 T N -3.515 111.112 114.554 0.121 0.000 2.812 499 T HA 0.246 4.597 4.350 0.001 0.000 0.294 499 T C 0.636 175.321 174.700 -0.025 0.000 1.159 499 T CA -0.857 61.287 62.100 0.074 0.000 1.008 499 T CB 1.149 70.094 68.868 0.128 0.000 1.289 499 T HN -0.279 nan 8.240 nan 0.000 0.514 500 M N 0.709 120.217 119.600 -0.152 0.000 2.632 500 M HA 0.006 4.486 4.480 0.001 0.000 0.256 500 M C 1.509 177.683 176.300 -0.211 0.000 1.080 500 M CA 1.107 56.284 55.300 -0.206 0.000 1.084 500 M CB -1.403 31.034 32.600 -0.272 0.000 1.439 500 M HN 0.638 nan 8.290 nan 0.000 0.509 501 H N -0.420 118.656 119.070 0.010 0.000 2.482 501 H HA 0.115 4.671 4.556 0.001 0.000 0.286 501 H C 0.162 175.492 175.328 0.003 0.000 1.017 501 H CA 0.184 56.236 56.048 0.006 0.000 1.322 501 H CB 0.053 29.822 29.762 0.011 0.000 1.426 501 H HN 0.251 nan 8.280 nan 0.000 0.546 502 D N 1.162 121.623 120.400 0.102 0.000 2.378 502 D HA -0.035 4.605 4.640 0.001 0.000 0.238 502 D C 1.272 177.592 176.300 0.033 0.000 1.180 502 D CA 0.158 54.194 54.000 0.059 0.000 0.895 502 D CB 1.082 41.908 40.800 0.043 0.000 1.192 502 D HN 0.269 nan 8.370 nan 0.000 0.438 503 E N -0.369 119.846 120.200 0.025 0.000 2.110 503 E HA -0.152 4.199 4.350 0.001 0.000 0.193 503 E C 1.497 178.100 176.600 0.004 0.000 0.988 503 E CA 1.391 57.799 56.400 0.014 0.000 0.804 503 E CB 0.086 29.793 29.700 0.012 0.000 0.745 503 E HN 0.550 nan 8.360 nan 0.000 0.458 504 T N -2.289 112.266 114.554 0.002 0.000 3.144 504 T HA 0.366 4.717 4.350 0.001 0.000 0.249 504 T C 1.666 176.355 174.700 -0.017 0.000 1.089 504 T CA 0.304 62.401 62.100 -0.005 0.000 0.989 504 T CB 0.466 69.334 68.868 0.001 0.000 0.992 504 T HN 0.119 nan 8.240 nan 0.000 0.540 505 A N 2.596 125.404 122.820 -0.020 0.000 1.883 505 A HA -0.110 4.210 4.320 0.001 0.000 0.217 505 A C 2.382 179.932 177.584 -0.057 0.000 1.186 505 A CA 1.795 53.809 52.037 -0.038 0.000 0.624 505 A CB -0.689 18.284 19.000 -0.044 0.000 0.822 505 A HN 0.537 nan 8.150 nan 0.000 0.444 506 K N -0.740 119.627 120.400 -0.055 0.000 2.057 506 K HA -0.207 4.113 4.320 0.001 0.000 0.207 506 K C 1.269 177.815 176.600 -0.091 0.000 1.049 506 K CA 1.791 58.035 56.287 -0.073 0.000 0.931 506 K CB -0.249 32.215 32.500 -0.060 0.000 0.714 506 K HN 0.380 nan 8.250 nan 0.000 0.440 507 D N 1.104 121.463 120.400 -0.067 0.000 2.123 507 D HA -0.120 4.521 4.640 0.001 0.000 0.200 507 D C 1.471 177.732 176.300 -0.065 0.000 0.976 507 D CA 0.993 54.953 54.000 -0.067 0.000 0.831 507 D CB -0.268 40.515 40.800 -0.029 0.000 0.974 507 D HN 0.239 nan 8.370 nan 0.000 0.469 508 D N -0.382 119.988 120.400 -0.049 0.000 2.264 508 D HA -0.075 4.566 4.640 0.001 0.000 0.208 508 D C 1.576 177.832 176.300 -0.074 0.000 0.966 508 D CA 1.091 55.065 54.000 -0.042 0.000 0.864 508 D CB -0.129 40.650 40.800 -0.035 0.000 0.933 508 D HN 0.322 nan 8.370 nan 0.000 0.499 509 T N -2.690 111.800 114.554 -0.106 0.000 3.134 509 T HA 0.191 4.541 4.350 0.001 0.000 0.260 509 T C 1.459 176.046 174.700 -0.188 0.000 1.027 509 T CA -0.488 61.536 62.100 -0.128 0.000 0.913 509 T CB 0.561 69.361 68.868 -0.114 0.000 1.046 509 T HN -0.051 nan 8.240 nan 0.000 0.553 510 R N 0.153 120.478 120.500 -0.291 0.000 2.189 510 R HA -0.002 4.338 4.340 0.001 0.000 0.223 510 R C 0.340 176.258 176.300 -0.636 0.000 1.092 510 R CA 1.190 56.974 56.100 -0.525 0.000 0.989 510 R CB -0.035 29.798 30.300 -0.778 0.000 0.876 510 R HN 0.545 nan 8.270 nan 0.000 0.457 511 Y N -1.706 118.519 120.300 -0.125 0.000 2.641 511 Y HA 0.469 5.019 4.550 0.001 0.000 0.248 511 Y C 0.439 176.238 175.900 -0.168 0.000 1.170 511 Y CA 0.023 58.037 58.100 -0.143 0.000 1.201 511 Y CB 1.712 40.073 38.460 -0.165 0.000 1.232 511 Y HN 0.098 nan 8.280 nan 0.000 0.537 512 G N -0.822 107.936 108.800 -0.071 0.000 2.387 512 G HA2 0.355 4.315 3.960 0.001 0.000 0.294 512 G HA3 0.355 4.315 3.960 0.001 0.000 0.294 512 G C -1.228 173.602 174.900 -0.115 0.000 1.509 512 G CA -0.911 44.127 45.100 -0.103 0.000 0.806 512 G HN -0.202 nan 8.290 nan 0.000 0.546 513 T N 0.527 115.013 114.554 -0.113 0.000 2.910 513 T HA 0.416 4.766 4.350 0.001 0.000 0.293 513 T C 0.158 174.783 174.700 -0.124 0.000 1.015 513 T CA -0.177 61.860 62.100 -0.104 0.000 1.094 513 T CB 1.517 70.337 68.868 -0.081 0.000 0.968 513 T HN 0.583 nan 8.240 nan 0.000 0.521 514 L N 5.037 126.191 121.223 -0.115 0.000 2.363 514 L HA 0.348 4.689 4.340 0.001 0.000 0.286 514 L C 0.877 177.662 176.870 -0.140 0.000 1.106 514 L CA 0.072 54.835 54.840 -0.128 0.000 0.859 514 L CB -0.448 41.552 42.059 -0.099 0.000 1.223 514 L HN 0.716 nan 8.230 nan 0.000 0.446 515 I N -0.127 120.321 120.570 -0.204 0.000 3.956 515 I HA 0.461 4.631 4.170 0.001 0.000 0.333 515 I C -0.287 175.687 176.117 -0.239 0.000 1.302 515 I CA 0.029 61.212 61.300 -0.194 0.000 1.122 515 I CB 0.194 38.071 38.000 -0.205 0.000 1.013 515 I HN 0.484 nan 8.210 nan 0.000 0.405 516 D N -0.077 120.152 120.400 -0.286 0.000 2.728 516 D HA 0.166 4.807 4.640 0.001 0.000 0.249 516 D C -0.805 175.394 176.300 -0.170 0.000 1.225 516 D CA -0.474 53.376 54.000 -0.249 0.000 0.748 516 D CB 1.114 41.783 40.800 -0.218 0.000 1.326 516 D HN 0.018 nan 8.370 nan 0.000 0.426 517 H N 2.120 121.195 119.070 0.008 0.000 3.192 517 H HA 0.065 4.622 4.556 0.001 0.000 0.295 517 H C 0.658 175.989 175.328 0.005 0.000 0.943 517 H CA 1.556 57.614 56.048 0.017 0.000 1.416 517 H CB -0.368 29.426 29.762 0.053 0.000 1.434 517 H HN 0.528 nan 8.280 nan 0.000 0.565 518 N N 0.629 119.396 118.700 0.113 0.000 2.863 518 N HA -0.212 4.528 4.740 0.001 0.000 0.245 518 N C -0.773 174.741 175.510 0.006 0.000 1.001 518 N CA 0.783 53.871 53.050 0.063 0.000 0.901 518 N CB -0.775 37.770 38.487 0.098 0.000 1.124 518 N HN 0.479 nan 8.380 nan 0.000 0.582 519 I N 0.704 121.228 120.570 -0.076 0.000 2.466 519 I HA 0.419 4.590 4.170 0.001 0.000 0.289 519 I C -0.493 175.469 176.117 -0.257 0.000 1.026 519 I CA -0.853 60.327 61.300 -0.200 0.000 1.078 519 I CB 1.973 39.739 38.000 -0.389 0.000 1.249 519 I HN -0.247 nan 8.210 nan 0.000 0.429 520 V N 4.626 124.413 119.914 -0.212 0.000 2.555 520 V HA 0.548 4.668 4.120 0.001 0.000 0.302 520 V C 0.509 176.471 176.094 -0.220 0.000 1.038 520 V CA -0.584 61.592 62.300 -0.207 0.000 0.887 520 V CB 1.944 33.669 31.823 -0.164 0.000 0.991 520 V HN 0.857 nan 8.190 nan 0.000 0.434 521 G N 2.272 110.950 108.800 -0.203 0.000 2.663 521 G HA2 0.330 4.291 3.960 0.001 0.000 0.320 521 G HA3 0.330 4.291 3.960 0.001 0.000 0.320 521 G C 0.240 175.073 174.900 -0.112 0.000 0.937 521 G CA -0.164 44.849 45.100 -0.145 0.000 1.332 521 G HN 0.650 nan 8.290 nan 0.000 0.461 522 T N 2.658 117.146 114.554 -0.110 0.000 2.831 522 T HA 0.088 4.438 4.350 0.001 0.000 0.291 522 T C 1.186 175.942 174.700 0.093 0.000 0.981 522 T CA 0.394 62.417 62.100 -0.127 0.000 1.174 522 T CB 0.302 68.895 68.868 -0.458 0.000 0.929 522 T HN 0.439 nan 8.240 nan 0.000 0.532 523 T N 5.731 120.270 114.554 -0.025 0.000 2.939 523 T HA 0.129 4.479 4.350 0.001 0.000 0.319 523 T C 0.364 175.002 174.700 -0.102 0.000 1.082 523 T CA 0.139 62.171 62.100 -0.113 0.000 1.133 523 T CB -0.065 68.732 68.868 -0.118 0.000 1.019 523 T HN 0.873 nan 8.240 nan 0.000 0.548 524 H N -0.087 118.745 119.070 -0.397 0.000 2.883 524 H HA 0.469 5.025 4.556 0.001 0.000 0.277 524 H C -1.444 173.630 175.328 -0.423 0.000 1.451 524 H CA -1.114 54.587 56.048 -0.578 0.000 1.157 524 H CB 1.008 29.964 29.762 -1.344 0.000 1.851 524 H HN 0.556 nan 8.280 nan 0.000 0.566 525 Q N 0.209 119.799 119.800 -0.350 0.000 2.451 525 Q HA 0.380 4.720 4.340 0.001 0.000 0.281 525 Q C -1.064 174.724 176.000 -0.354 0.000 1.099 525 Q CA -0.968 54.659 55.803 -0.293 0.000 0.806 525 Q CB 2.970 31.618 28.738 -0.150 0.000 1.419 525 Q HN 0.513 nan 8.270 nan 0.000 0.427 526 H N 1.363 120.383 119.070 -0.082 0.000 2.539 526 H HA 0.462 5.019 4.556 0.001 0.000 0.332 526 H C -0.787 174.305 175.328 -0.395 0.000 1.031 526 H CA -0.357 55.550 56.048 -0.234 0.000 1.206 526 H CB 1.080 30.720 29.762 -0.204 0.000 1.446 526 H HN 0.448 nan 8.280 nan 0.000 0.496 527 I N 4.681 125.061 120.570 -0.316 0.000 2.420 527 I HA 0.151 4.321 4.170 0.001 0.000 0.282 527 I C -0.799 175.212 176.117 -0.176 0.000 1.019 527 I CA -0.605 60.583 61.300 -0.187 0.000 1.130 527 I CB 0.631 38.589 38.000 -0.069 0.000 1.262 527 I HN 0.389 nan 8.210 nan 0.000 0.454 528 Y N 4.835 125.225 120.300 0.150 0.000 2.352 528 Y HA 0.451 5.002 4.550 0.001 0.000 0.326 528 Y C 0.482 176.401 175.900 0.031 0.000 1.166 528 Y CA -0.708 57.415 58.100 0.038 0.000 1.182 528 Y CB 0.929 39.393 38.460 0.006 0.000 1.216 528 Y HN 0.457 nan 8.280 nan 0.000 0.474 529 N N 2.036 120.725 118.700 -0.018 0.000 2.397 529 N HA 0.314 5.054 4.740 0.001 0.000 0.291 529 N C -2.251 173.134 175.510 -0.208 0.000 1.065 529 N CA -0.460 52.610 53.050 0.033 0.000 0.884 529 N CB 0.972 39.550 38.487 0.152 0.000 1.551 529 N HN 0.471 nan 8.380 nan 0.000 0.487 530 F N 1.727 121.807 119.950 0.218 0.000 2.444 530 F HA 0.445 4.972 4.527 0.001 0.000 0.342 530 F C 1.094 176.913 175.800 0.032 0.000 1.121 530 F CA -0.866 57.212 58.000 0.130 0.000 0.997 530 F CB 1.451 40.497 39.000 0.077 0.000 1.130 530 F HN 0.222 nan 8.300 nan 0.000 0.454 531 R N 4.949 125.450 120.500 0.002 0.000 2.196 531 R HA 0.533 4.874 4.340 0.001 0.000 0.340 531 R C -1.635 174.480 176.300 -0.310 0.000 1.043 531 R CA -0.299 55.482 56.100 -0.532 0.000 0.883 531 R CB 0.228 30.012 30.300 -0.859 0.000 1.078 531 R HN 0.804 nan 8.270 nan 0.000 0.462 532 L N 4.701 125.743 121.223 -0.302 0.000 2.366 532 L HA 0.226 4.566 4.340 0.001 0.000 0.266 532 L C -0.372 176.416 176.870 -0.138 0.000 1.010 532 L CA -0.735 54.028 54.840 -0.128 0.000 0.879 532 L CB 1.576 43.619 42.059 -0.027 0.000 1.228 532 L HN 0.542 nan 8.230 nan 0.000 0.439 533 D N 4.280 124.616 120.400 -0.107 0.000 2.600 533 D HA 0.167 4.807 4.640 0.001 0.000 0.226 533 D C 0.081 176.413 176.300 0.054 0.000 1.119 533 D CA -0.002 53.993 54.000 -0.009 0.000 1.051 533 D CB 0.109 40.953 40.800 0.074 0.000 1.106 533 D HN 0.308 nan 8.370 nan 0.000 0.491 534 L N 1.885 123.125 121.223 0.029 0.000 2.453 534 L HA 0.174 4.514 4.340 0.001 0.000 0.272 534 L C 0.254 177.180 176.870 0.093 0.000 1.182 534 L CA 0.148 55.014 54.840 0.043 0.000 0.858 534 L CB 0.584 42.638 42.059 -0.008 0.000 1.120 534 L HN 0.103 nan 8.230 nan 0.000 0.474 535 D N 2.360 122.845 120.400 0.141 0.000 2.404 535 D HA 0.183 4.823 4.640 0.001 0.000 0.267 535 D C -0.478 175.887 176.300 0.109 0.000 1.194 535 D CA -0.249 53.824 54.000 0.122 0.000 0.910 535 D CB 1.602 42.506 40.800 0.175 0.000 1.090 535 D HN 0.032 nan 8.370 nan 0.000 0.511 536 V N 2.679 122.670 119.914 0.129 0.000 2.393 536 V HA -0.021 4.099 4.120 0.001 0.000 0.257 536 V C 1.015 177.238 176.094 0.215 0.000 1.040 536 V CA 0.169 62.622 62.300 0.254 0.000 1.097 536 V CB 0.058 32.059 31.823 0.296 0.000 1.101 536 V HN 0.568 nan 8.190 nan 0.000 0.479 537 D N 3.518 124.068 120.400 0.251 0.000 2.983 537 D HA -0.149 4.491 4.640 0.001 0.000 0.225 537 D C 0.351 176.614 176.300 -0.061 0.000 1.174 537 D CA 1.818 55.847 54.000 0.048 0.000 0.831 537 D CB -0.967 39.741 40.800 -0.153 0.000 1.104 537 D HN 1.246 nan 8.370 nan 0.000 0.421 538 G N -1.193 107.565 108.800 -0.070 0.000 2.337 538 G HA2 0.150 4.111 3.960 0.001 0.000 0.310 538 G HA3 0.150 4.111 3.960 0.001 0.000 0.310 538 G C 0.195 175.054 174.900 -0.068 0.000 1.534 538 G CA 0.375 45.401 45.100 -0.122 0.000 0.982 538 G HN 0.115 nan 8.290 nan 0.000 0.672 539 E N 0.089 120.238 120.200 -0.086 0.000 2.049 539 E HA -0.165 4.185 4.350 0.001 0.000 0.198 539 E C 0.544 177.133 176.600 -0.019 0.000 1.007 539 E CA 1.233 57.601 56.400 -0.052 0.000 0.809 539 E CB -0.115 29.543 29.700 -0.070 0.000 0.749 539 E HN 0.377 nan 8.360 nan 0.000 0.450 540 N N 1.978 120.667 118.700 -0.018 0.000 2.402 540 N HA 0.133 4.874 4.740 0.001 0.000 0.252 540 N C -1.217 174.301 175.510 0.013 0.000 1.118 540 N CA 0.194 53.244 53.050 0.001 0.000 0.945 540 N CB 0.774 39.259 38.487 -0.003 0.000 1.147 540 N HN 0.235 nan 8.380 nan 0.000 0.495 541 N N -0.212 118.505 118.700 0.029 0.000 2.469 541 N HA 0.502 5.242 4.740 0.001 0.000 0.286 541 N C -0.982 174.554 175.510 0.042 0.000 1.275 541 N CA -0.711 52.363 53.050 0.040 0.000 0.790 541 N CB 1.421 39.942 38.487 0.057 0.000 1.446 541 N HN 0.162 nan 8.380 nan 0.000 0.501 542 S N 0.635 116.360 115.700 0.041 0.000 2.548 542 S HA 0.421 4.892 4.470 0.001 0.000 0.286 542 S C -1.468 173.152 174.600 0.034 0.000 1.098 542 S CA -0.587 57.636 58.200 0.039 0.000 0.930 542 S CB 1.568 64.785 63.200 0.029 0.000 1.070 542 S HN 0.377 nan 8.310 nan 0.000 0.480 543 L N 3.692 124.936 121.223 0.034 0.000 2.260 543 L HA 0.607 4.948 4.340 0.001 0.000 0.289 543 L C -0.955 175.900 176.870 -0.025 0.000 1.057 543 L CA -0.006 54.845 54.840 0.018 0.000 0.811 543 L CB 0.470 42.554 42.059 0.043 0.000 1.184 543 L HN 0.446 nan 8.230 nan 0.000 0.429 544 V N 4.511 124.382 119.914 -0.072 0.000 2.769 544 V HA 0.880 5.000 4.120 0.001 0.000 0.312 544 V C 0.157 176.105 176.094 -0.243 0.000 1.058 544 V CA -0.461 61.753 62.300 -0.143 0.000 0.952 544 V CB 1.504 33.249 31.823 -0.131 0.000 1.019 544 V HN 0.957 nan 8.190 nan 0.000 0.445 545 A N 4.880 127.447 122.820 -0.422 0.000 2.350 545 A HA 0.945 5.265 4.320 0.001 0.000 0.324 545 A C -0.713 176.570 177.584 -0.501 0.000 1.118 545 A CA -0.637 51.062 52.037 -0.563 0.000 0.783 545 A CB 1.316 19.692 19.000 -1.040 0.000 1.236 545 A HN 0.801 nan 8.150 nan 0.000 0.457 546 M N 2.540 121.944 119.600 -0.327 0.000 2.090 546 M HA 0.272 4.752 4.480 0.001 0.000 0.277 546 M C -1.745 174.490 176.300 -0.108 0.000 0.935 546 M CA -0.504 54.678 55.300 -0.197 0.000 0.966 546 M CB 1.967 34.448 32.600 -0.199 0.000 1.635 546 M HN 0.559 nan 8.290 nan 0.000 0.446 547 D N 5.175 125.561 120.400 -0.023 0.000 2.454 547 D HA 0.368 5.008 4.640 0.001 0.000 0.225 547 D C -2.456 173.862 176.300 0.029 0.000 1.081 547 D CA -1.410 52.602 54.000 0.019 0.000 0.864 547 D CB 1.189 42.045 40.800 0.094 0.000 1.040 547 D HN 0.133 nan 8.370 nan 0.000 0.517 548 P HA -0.013 nan 4.420 nan 0.000 0.263 548 P C -0.372 176.943 177.300 0.025 0.000 1.195 548 P CA -0.116 63.000 63.100 0.027 0.000 0.762 548 P CB 0.644 32.361 31.700 0.027 0.000 0.799 549 V N 1.488 121.419 119.914 0.029 0.000 3.040 549 V HA 0.537 4.658 4.120 0.001 0.000 0.312 549 V C -0.476 175.630 176.094 0.021 0.000 1.115 549 V CA -1.116 61.199 62.300 0.023 0.000 0.998 549 V CB 2.325 34.164 31.823 0.027 0.000 1.042 549 V HN 0.072 nan 8.190 nan 0.000 0.433 550 V N 3.557 123.480 119.914 0.016 0.000 2.320 550 V HA 0.428 4.549 4.120 0.001 0.000 0.265 550 V C 0.282 176.383 176.094 0.012 0.000 1.048 550 V CA -0.408 61.901 62.300 0.014 0.000 0.865 550 V CB 0.435 32.264 31.823 0.011 0.000 1.043 550 V HN 0.847 nan 8.190 nan 0.000 0.474 551 K N 5.607 126.015 120.400 0.013 0.000 2.123 551 K HA 0.500 4.820 4.320 0.001 0.000 0.259 551 K C -2.669 173.936 176.600 0.010 0.000 0.960 551 K CA -2.170 54.124 56.287 0.012 0.000 0.872 551 K CB 1.810 34.318 32.500 0.014 0.000 1.079 551 K HN 0.238 nan 8.250 nan 0.000 0.440 552 P HA -0.047 nan 4.420 nan 0.000 0.266 552 P C -0.354 176.950 177.300 0.007 0.000 1.195 552 P CA -0.061 63.043 63.100 0.006 0.000 0.768 552 P CB 0.318 32.020 31.700 0.005 0.000 0.838 553 N N 1.852 120.556 118.700 0.006 0.000 2.420 553 N HA 0.086 4.827 4.740 0.001 0.000 0.262 553 N C 0.015 175.529 175.510 0.005 0.000 1.144 553 N CA 0.093 53.147 53.050 0.006 0.000 0.952 553 N CB -0.170 38.321 38.487 0.006 0.000 1.081 553 N HN 0.291 nan 8.380 nan 0.000 0.480 554 T N 0.633 115.191 114.554 0.006 0.000 3.308 554 T HA 0.541 4.892 4.350 0.001 0.000 0.270 554 T C 0.465 175.167 174.700 0.005 0.000 0.992 554 T CA -0.272 61.831 62.100 0.005 0.000 0.931 554 T CB -0.013 68.858 68.868 0.005 0.000 1.142 554 T HN 0.408 nan 8.240 nan 0.000 0.525 555 A N 0.149 122.972 122.820 0.005 0.000 2.635 555 A HA 0.816 5.136 4.320 0.001 0.000 0.279 555 A C 1.215 178.801 177.584 0.004 0.000 1.122 555 A CA 0.021 52.060 52.037 0.004 0.000 0.965 555 A CB -0.232 18.770 19.000 0.005 0.000 1.221 555 A HN 1.477 nan 8.150 nan 0.000 0.566 556 G N -0.813 107.989 108.800 0.003 0.000 2.741 556 G HA2 0.450 4.410 3.960 0.001 0.000 0.222 556 G HA3 0.450 4.410 3.960 0.001 0.000 0.222 556 G C 1.052 175.954 174.900 0.003 0.000 1.364 556 G CA 0.192 45.293 45.100 0.003 0.000 0.866 556 G HN 2.573 nan 8.290 nan 0.000 0.555 557 G N -2.136 106.666 108.800 0.002 0.000 2.796 557 G HA2 0.252 4.212 3.960 0.001 0.000 0.571 557 G HA3 0.252 4.212 3.960 0.001 0.000 0.571 557 G C -0.917 173.985 174.900 0.003 0.000 1.370 557 G CA 0.550 45.651 45.100 0.002 0.000 0.856 557 G HN 1.392 nan 8.290 nan 0.000 0.538 558 P HA 0.127 nan 4.420 nan 0.000 0.236 558 P C 0.866 178.168 177.300 0.003 0.000 1.177 558 P CA 0.321 63.423 63.100 0.003 0.000 0.773 558 P CB 0.192 31.893 31.700 0.003 0.000 0.878 559 R N 0.386 120.888 120.500 0.004 0.000 2.442 559 R HA 0.092 4.432 4.340 0.001 0.000 0.291 559 R C 1.499 177.801 176.300 0.004 0.000 1.069 559 R CA 0.616 56.719 56.100 0.004 0.000 1.022 559 R CB 0.130 30.433 30.300 0.005 0.000 0.976 559 R HN 0.185 nan 8.270 nan 0.000 0.443 560 T N -1.915 112.642 114.554 0.004 0.000 3.014 560 T HA -0.016 4.335 4.350 0.001 0.000 0.263 560 T C 0.958 175.661 174.700 0.005 0.000 1.078 560 T CA 0.620 62.723 62.100 0.004 0.000 1.135 560 T CB 0.160 69.030 68.868 0.004 0.000 0.895 560 T HN 0.540 nan 8.240 nan 0.000 0.480 561 S N 0.517 116.221 115.700 0.006 0.000 2.661 561 S HA 0.734 5.204 4.470 0.001 0.000 0.285 561 S C -0.603 174.003 174.600 0.008 0.000 1.138 561 S CA -0.405 57.800 58.200 0.007 0.000 0.855 561 S CB 2.014 65.219 63.200 0.007 0.000 1.136 561 S HN 0.730 nan 8.310 nan 0.000 0.484 562 T N -1.663 112.897 114.554 0.010 0.000 2.865 562 T HA 0.668 5.018 4.350 0.001 0.000 0.294 562 T C -0.807 173.902 174.700 0.015 0.000 1.119 562 T CA -0.949 61.158 62.100 0.012 0.000 1.007 562 T CB 1.209 70.084 68.868 0.012 0.000 1.225 562 T HN 0.658 nan 8.240 nan 0.000 0.515 563 M N 2.077 121.687 119.600 0.017 0.000 2.047 563 M HA 0.403 4.884 4.480 0.001 0.000 0.342 563 M C -0.250 176.066 176.300 0.026 0.000 1.058 563 M CA -0.408 54.905 55.300 0.021 0.000 0.991 563 M CB 1.232 33.845 32.600 0.023 0.000 1.474 563 M HN 0.618 nan 8.290 nan 0.000 0.419 564 Q N 1.406 121.223 119.800 0.028 0.000 2.873 564 Q HA 0.825 5.165 4.340 0.001 0.000 0.297 564 Q C -1.220 174.803 176.000 0.039 0.000 1.064 564 Q CA -1.167 54.656 55.803 0.033 0.000 0.816 564 Q CB 3.101 31.857 28.738 0.029 0.000 1.481 564 Q HN 0.441 nan 8.270 nan 0.000 0.488 565 V N 1.712 121.653 119.914 0.045 0.000 2.623 565 V HA 0.288 4.409 4.120 0.001 0.000 0.304 565 V C -1.181 174.949 176.094 0.061 0.000 1.054 565 V CA -0.991 61.339 62.300 0.050 0.000 0.882 565 V CB 1.929 33.783 31.823 0.051 0.000 1.002 565 V HN 0.623 nan 8.190 nan 0.000 0.424 566 N N 4.145 122.895 118.700 0.083 0.000 2.415 566 N HA 0.246 4.986 4.740 0.001 0.000 0.246 566 N C -0.403 175.210 175.510 0.173 0.000 1.078 566 N CA 0.012 53.148 53.050 0.143 0.000 0.942 566 N CB 1.506 40.101 38.487 0.180 0.000 1.140 566 N HN 0.774 nan 8.380 nan 0.000 0.501 567 Q N 2.886 122.770 119.800 0.140 0.000 2.282 567 Q HA 0.439 4.780 4.340 0.001 0.000 0.260 567 Q C -1.533 174.572 176.000 0.174 0.000 0.964 567 Q CA -0.759 55.072 55.803 0.047 0.000 0.880 567 Q CB 0.873 29.618 28.738 0.012 0.000 1.286 567 Q HN 0.586 nan 8.270 nan 0.000 0.445 568 Y N 0.182 120.478 120.300 -0.007 0.000 2.565 568 Y HA 0.487 5.038 4.550 0.001 0.000 0.330 568 Y C -1.502 174.398 175.900 -0.000 0.000 1.150 568 Y CA -1.496 56.603 58.100 -0.001 0.000 1.055 568 Y CB 0.574 39.034 38.460 0.000 0.000 1.337 568 Y HN 0.520 nan 8.280 nan 0.000 0.457 569 N N 1.461 120.236 118.700 0.125 0.000 2.483 569 N HA 0.494 5.235 4.740 0.001 0.000 0.269 569 N C -1.093 174.498 175.510 0.136 0.000 1.209 569 N CA -0.367 52.721 53.050 0.063 0.000 0.969 569 N CB 0.950 39.472 38.487 0.060 0.000 1.173 569 N HN 0.709 nan 8.380 nan 0.000 0.475 570 I N 0.763 121.380 120.570 0.079 0.000 2.371 570 I HA 0.257 4.427 4.170 0.001 0.000 0.282 570 I C 1.310 177.478 176.117 0.084 0.000 1.031 570 I CA -0.379 60.984 61.300 0.105 0.000 1.180 570 I CB 1.290 39.339 38.000 0.081 0.000 1.336 570 I HN 0.695 nan 8.210 nan 0.000 0.467 571 G N 5.063 113.914 108.800 0.085 0.000 2.572 571 G HA2 -0.069 3.891 3.960 0.001 0.000 0.216 571 G HA3 -0.069 3.891 3.960 0.001 0.000 0.216 571 G C 0.353 175.296 174.900 0.071 0.000 1.133 571 G CA 0.329 45.472 45.100 0.071 0.000 0.791 571 G HN 0.682 nan 8.290 nan 0.000 0.538 572 N N -2.230 116.516 118.700 0.076 0.000 2.732 572 N HA 0.231 4.972 4.740 0.001 0.000 0.259 572 N C 0.281 175.845 175.510 0.091 0.000 1.402 572 N CA -0.748 52.350 53.050 0.081 0.000 0.829 572 N CB 0.789 39.319 38.487 0.072 0.000 1.495 572 N HN -0.068 nan 8.380 nan 0.000 0.511 573 E N -0.672 119.592 120.200 0.107 0.000 2.077 573 E HA -0.269 4.082 4.350 0.001 0.000 0.193 573 E C 0.965 177.628 176.600 0.105 0.000 0.989 573 E CA 1.342 57.821 56.400 0.132 0.000 0.800 573 E CB -0.028 29.767 29.700 0.159 0.000 0.746 573 E HN 0.607 nan 8.360 nan 0.000 0.452 574 Q N 0.914 120.764 119.800 0.082 0.000 2.084 574 Q HA -0.167 4.173 4.340 0.001 0.000 0.202 574 Q C 1.375 177.385 176.000 0.016 0.000 0.978 574 Q CA 1.563 57.397 55.803 0.052 0.000 0.844 574 Q CB 0.089 28.859 28.738 0.052 0.000 0.898 574 Q HN 0.151 nan 8.270 nan 0.000 0.426 575 D N -0.917 119.502 120.400 0.032 0.000 2.224 575 D HA -0.011 4.629 4.640 0.001 0.000 0.205 575 D C 1.336 177.647 176.300 0.017 0.000 0.965 575 D CA 1.115 55.131 54.000 0.027 0.000 0.852 575 D CB -0.122 40.710 40.800 0.054 0.000 0.947 575 D HN 0.365 nan 8.370 nan 0.000 0.494 576 A N 0.558 123.397 122.820 0.031 0.000 2.067 576 A HA 0.237 4.557 4.320 0.001 0.000 0.217 576 A C 1.434 178.987 177.584 -0.052 0.000 1.156 576 A CA 0.718 52.777 52.037 0.036 0.000 0.683 576 A CB -0.207 18.851 19.000 0.098 0.000 0.808 576 A HN 0.158 nan 8.150 nan 0.000 0.455 577 A N 1.028 123.753 122.820 -0.157 0.000 2.457 577 A HA 0.498 4.819 4.320 0.001 0.000 0.298 577 A C 0.175 177.469 177.584 -0.483 0.000 1.288 577 A CA -0.037 51.667 52.037 -0.555 0.000 0.956 577 A CB -0.563 18.020 19.000 -0.694 0.000 1.135 577 A HN 0.689 nan 8.150 nan 0.000 0.535 578 Q N 1.963 121.511 119.800 -0.421 0.000 2.590 578 Q HA 0.491 4.831 4.340 0.001 0.000 0.295 578 Q C -1.167 174.761 176.000 -0.120 0.000 0.973 578 Q CA -1.277 54.404 55.803 -0.204 0.000 0.768 578 Q CB 1.009 29.705 28.738 -0.069 0.000 1.479 578 Q HN 0.330 nan 8.270 nan 0.000 0.419 579 K N 0.749 121.125 120.400 -0.039 0.000 2.276 579 K HA 0.247 4.567 4.320 0.001 0.000 0.259 579 K C -0.860 175.818 176.600 0.131 0.000 1.001 579 K CA -0.036 56.274 56.287 0.038 0.000 0.927 579 K CB 0.272 32.783 32.500 0.018 0.000 0.969 579 K HN 0.586 nan 8.250 nan 0.000 0.490 580 F N 1.904 121.865 119.950 0.018 0.000 2.426 580 F HA 0.141 4.669 4.527 0.001 0.000 0.348 580 F C -0.335 175.497 175.800 0.054 0.000 1.124 580 F CA -1.358 56.671 58.000 0.048 0.000 1.008 580 F CB 1.030 40.087 39.000 0.094 0.000 1.139 580 F HN 0.380 nan 8.300 nan 0.000 0.452 581 D N 8.669 128.699 120.400 -0.617 0.000 2.373 581 D HA 0.333 4.974 4.640 0.001 0.000 0.227 581 D C -1.945 173.798 176.300 -0.927 0.000 1.091 581 D CA -2.731 50.947 54.000 -0.538 0.000 0.840 581 D CB 1.840 42.481 40.800 -0.266 0.000 1.060 581 D HN 0.276 nan 8.370 nan 0.000 0.502 582 P HA 0.012 nan 4.420 nan 0.000 0.231 582 P C 1.028 178.238 177.300 -0.151 0.000 1.158 582 P CA 0.418 63.334 63.100 -0.306 0.000 0.763 582 P CB 0.227 32.022 31.700 0.158 0.000 0.805 583 G N -0.428 108.268 108.800 -0.173 0.000 2.985 583 G HA2 0.040 4.001 3.960 0.001 0.000 0.209 583 G HA3 0.040 4.001 3.960 0.001 0.000 0.209 583 G C 0.601 175.449 174.900 -0.087 0.000 1.165 583 G CA 0.397 45.449 45.100 -0.081 0.000 0.776 583 G HN 0.427 nan 8.290 nan 0.000 0.541 584 T N -1.849 112.603 114.554 -0.170 0.000 2.949 584 T HA 0.733 5.083 4.350 0.001 0.000 0.287 584 T C -0.583 174.076 174.700 -0.069 0.000 1.034 584 T CA -0.860 61.169 62.100 -0.119 0.000 1.018 584 T CB 2.354 71.139 68.868 -0.138 0.000 1.135 584 T HN -0.087 nan 8.240 nan 0.000 0.532 585 I N 1.275 121.796 120.570 -0.081 0.000 2.436 585 I HA 0.493 4.663 4.170 0.001 0.000 0.289 585 I C -0.107 175.922 176.117 -0.146 0.000 1.010 585 I CA -0.985 60.239 61.300 -0.126 0.000 1.098 585 I CB 1.690 39.501 38.000 -0.316 0.000 1.266 585 I HN 0.408 nan 8.210 nan 0.000 0.434 586 R N 7.327 127.791 120.500 -0.060 0.000 2.409 586 R HA 0.639 4.980 4.340 0.001 0.000 0.313 586 R C -1.246 174.985 176.300 -0.115 0.000 0.953 586 R CA -0.721 55.340 56.100 -0.065 0.000 0.849 586 R CB 1.809 32.158 30.300 0.080 0.000 1.171 586 R HN 0.553 nan 8.270 nan 0.000 0.458 587 L N 2.968 124.089 121.223 -0.169 0.000 2.334 587 L HA 0.524 4.865 4.340 0.001 0.000 0.273 587 L C -0.217 176.632 176.870 -0.034 0.000 1.013 587 L CA -1.272 53.485 54.840 -0.139 0.000 0.816 587 L CB 1.581 43.485 42.059 -0.259 0.000 1.278 587 L HN 0.234 nan 8.230 nan 0.000 0.431 588 L N 2.035 123.282 121.223 0.040 0.000 2.287 588 L HA 0.380 4.721 4.340 0.001 0.000 0.280 588 L C -0.174 176.755 176.870 0.099 0.000 1.055 588 L CA 0.384 55.268 54.840 0.073 0.000 0.863 588 L CB 0.750 42.869 42.059 0.101 0.000 1.245 588 L HN 0.543 nan 8.230 nan 0.000 0.432 589 S N 3.034 118.770 115.700 0.059 0.000 2.646 589 S HA 0.413 4.883 4.470 0.001 0.000 0.276 589 S C -0.179 174.458 174.600 0.061 0.000 1.222 589 S CA -0.701 57.539 58.200 0.068 0.000 1.014 589 S CB 1.095 64.313 63.200 0.031 0.000 0.991 589 S HN 0.599 nan 8.310 nan 0.000 0.533 590 N N 2.363 121.095 118.700 0.054 0.000 2.457 590 N HA 0.290 5.031 4.740 0.001 0.000 0.250 590 N C -2.188 173.324 175.510 0.003 0.000 0.982 590 N CA -2.114 50.950 53.050 0.022 0.000 0.941 590 N CB 1.302 39.790 38.487 0.003 0.000 1.120 590 N HN 0.202 nan 8.380 nan 0.000 0.505 591 P HA 0.106 nan 4.420 nan 0.000 0.245 591 P C -0.003 177.292 177.300 -0.010 0.000 1.212 591 P CA 0.467 63.568 63.100 0.001 0.000 0.774 591 P CB 0.426 32.131 31.700 0.008 0.000 0.999 592 N N -0.079 118.610 118.700 -0.020 0.000 2.282 592 N HA 0.076 4.817 4.740 0.001 0.000 0.185 592 N C 0.298 175.781 175.510 -0.044 0.000 1.099 592 N CA 0.374 53.407 53.050 -0.028 0.000 0.878 592 N CB 0.681 39.150 38.487 -0.030 0.000 0.993 592 N HN 0.283 nan 8.380 nan 0.000 0.481 593 K N 0.714 121.080 120.400 -0.057 0.000 2.468 593 K HA 0.419 4.739 4.320 0.001 0.000 0.252 593 K C -0.724 175.822 176.600 -0.091 0.000 0.932 593 K CA -0.482 55.753 56.287 -0.086 0.000 0.794 593 K CB 2.567 34.991 32.500 -0.127 0.000 1.241 593 K HN -0.049 nan 8.250 nan 0.000 0.428 594 E N 1.246 121.390 120.200 -0.092 0.000 2.359 594 E HA 0.204 4.554 4.350 0.001 0.000 0.266 594 E C -0.804 175.734 176.600 -0.102 0.000 0.920 594 E CA -1.175 55.178 56.400 -0.079 0.000 0.788 594 E CB 1.577 31.249 29.700 -0.047 0.000 1.279 594 E HN 0.593 nan 8.360 nan 0.000 0.438 595 N N 0.558 119.204 118.700 -0.089 0.000 2.405 595 N HA 0.099 4.839 4.740 0.001 0.000 0.269 595 N C 0.678 176.154 175.510 -0.056 0.000 1.249 595 N CA -0.472 52.525 53.050 -0.089 0.000 0.974 595 N CB 0.644 39.082 38.487 -0.082 0.000 1.204 595 N HN 0.469 nan 8.380 nan 0.000 0.565 596 R N -1.213 119.260 120.500 -0.046 0.000 2.185 596 R HA -0.066 4.274 4.340 0.001 0.000 0.247 596 R C 0.740 177.022 176.300 -0.030 0.000 1.159 596 R CA 1.680 57.759 56.100 -0.034 0.000 0.988 596 R CB -0.195 30.089 30.300 -0.027 0.000 0.871 596 R HN 0.524 nan 8.270 nan 0.000 0.458 597 M N -1.217 118.365 119.600 -0.031 0.000 2.431 597 M HA 0.266 4.746 4.480 0.001 0.000 0.237 597 M C 0.787 177.077 176.300 -0.017 0.000 1.130 597 M CA 0.607 55.892 55.300 -0.024 0.000 1.002 597 M CB 1.365 33.949 32.600 -0.027 0.000 1.524 597 M HN 0.306 nan 8.290 nan 0.000 0.482 598 G N 0.464 109.252 108.800 -0.021 0.000 2.136 598 G HA2 -0.236 3.724 3.960 0.001 0.000 0.242 598 G HA3 -0.236 3.724 3.960 0.001 0.000 0.242 598 G C -0.016 174.881 174.900 -0.005 0.000 0.989 598 G CA -0.225 44.866 45.100 -0.015 0.000 0.682 598 G HN 0.428 nan 8.290 nan 0.000 0.522 599 N N 1.542 120.241 118.700 -0.003 0.000 2.455 599 N HA 0.442 5.183 4.740 0.001 0.000 0.280 599 N C -2.450 173.068 175.510 0.013 0.000 1.055 599 N CA -1.548 51.515 53.050 0.023 0.000 0.961 599 N CB 1.598 40.112 38.487 0.046 0.000 1.121 599 N HN 0.057 nan 8.380 nan 0.000 0.476 600 P HA -0.066 nan 4.420 nan 0.000 0.261 600 P C 0.112 177.428 177.300 0.026 0.000 1.183 600 P CA -0.174 62.933 63.100 0.012 0.000 0.761 600 P CB 0.207 31.922 31.700 0.024 0.000 0.785 601 V N 1.856 121.744 119.914 -0.043 0.000 2.599 601 V HA 0.365 4.486 4.120 0.001 0.000 0.300 601 V C 0.047 176.199 176.094 0.098 0.000 1.034 601 V CA 0.281 62.539 62.300 -0.069 0.000 1.115 601 V CB -0.271 31.330 31.823 -0.369 0.000 0.934 601 V HN 0.542 nan 8.190 nan 0.000 0.485 602 S N 3.210 119.047 115.700 0.228 0.000 2.607 602 S HA 0.720 5.191 4.470 0.001 0.000 0.273 602 S C -1.404 173.358 174.600 0.269 0.000 1.148 602 S CA -0.545 57.812 58.200 0.261 0.000 0.833 602 S CB 1.628 64.930 63.200 0.169 0.000 1.130 602 S HN 0.735 nan 8.310 nan 0.000 0.470 603 Y N 1.659 122.052 120.300 0.156 0.000 2.364 603 Y HA 0.441 4.992 4.550 0.001 0.000 0.340 603 Y C 0.211 176.147 175.900 0.060 0.000 0.975 603 Y CA -0.447 57.716 58.100 0.106 0.000 1.089 603 Y CB 1.641 40.123 38.460 0.036 0.000 1.192 603 Y HN 0.645 nan 8.280 nan 0.000 0.454 604 Q N 4.390 124.291 119.800 0.168 0.000 2.286 604 Q HA 0.471 4.811 4.340 0.001 0.000 0.257 604 Q C -1.368 174.686 176.000 0.090 0.000 0.941 604 Q CA -0.296 55.550 55.803 0.072 0.000 0.912 604 Q CB 0.626 29.443 28.738 0.132 0.000 1.192 604 Q HN 0.706 nan 8.270 nan 0.000 0.410 605 I N 6.020 126.607 120.570 0.029 0.000 2.328 605 I HA 0.312 4.482 4.170 0.001 0.000 0.287 605 I C -0.554 175.478 176.117 -0.143 0.000 1.012 605 I CA -0.494 60.794 61.300 -0.021 0.000 1.195 605 I CB 1.119 39.113 38.000 -0.011 0.000 1.350 605 I HN 0.582 nan 8.210 nan 0.000 0.464 606 I N 8.646 129.107 120.570 -0.180 0.000 2.464 606 I HA 0.271 4.441 4.170 0.001 0.000 0.277 606 I C -1.824 174.081 176.117 -0.354 0.000 1.040 606 I CA -1.503 59.601 61.300 -0.326 0.000 1.153 606 I CB 1.460 39.432 38.000 -0.048 0.000 1.274 606 I HN 0.340 nan 8.210 nan 0.000 0.469 607 P HA -0.105 nan 4.420 nan 0.000 0.229 607 P C -0.277 177.054 177.300 0.051 0.000 1.160 607 P CA 0.930 63.903 63.100 -0.212 0.000 0.777 607 P CB 0.056 31.631 31.700 -0.207 0.000 0.814 608 Y N 0.180 120.432 120.300 -0.079 0.000 2.488 608 Y HA 0.622 5.173 4.550 0.001 0.000 0.330 608 Y C 0.184 176.208 175.900 0.207 0.000 1.013 608 Y CA -1.485 56.717 58.100 0.171 0.000 1.304 608 Y CB 0.558 39.216 38.460 0.330 0.000 1.098 608 Y HN -0.156 nan 8.280 nan 0.000 0.498 609 A N 3.525 126.230 122.820 -0.192 0.000 2.500 609 A HA 0.696 5.017 4.320 0.001 0.000 0.267 609 A C 0.939 178.335 177.584 -0.312 0.000 1.290 609 A CA 0.376 52.288 52.037 -0.209 0.000 0.928 609 A CB -0.697 18.267 19.000 -0.060 0.000 1.066 609 A HN 1.490 nan 8.150 nan 0.000 0.516 610 G N -2.399 105.967 108.800 -0.723 0.000 2.408 610 G HA2 0.505 4.465 3.960 0.001 0.000 0.682 610 G HA3 0.505 4.465 3.960 0.001 0.000 0.682 610 G C -0.157 174.719 174.900 -0.040 0.000 1.303 610 G CA -0.372 44.462 45.100 -0.443 0.000 0.966 610 G HN 1.848 nan 8.290 nan 0.000 0.560 611 G N -2.684 106.161 108.800 0.076 0.000 2.506 611 G HA2 0.783 4.743 3.960 0.001 0.000 0.292 611 G HA3 0.783 4.743 3.960 0.001 0.000 0.292 611 G C 0.501 175.443 174.900 0.070 0.000 1.425 611 G CA 1.020 46.141 45.100 0.034 0.000 0.788 611 G HN 1.987 nan 8.290 nan 0.000 0.490 612 T N -3.057 111.511 114.554 0.022 0.000 2.990 612 T HA 0.299 4.650 4.350 0.001 0.000 0.250 612 T C 0.570 175.260 174.700 -0.016 0.000 1.041 612 T CA 0.394 62.493 62.100 -0.001 0.000 1.010 612 T CB 0.066 68.909 68.868 -0.043 0.000 1.003 612 T HN 0.405 nan 8.240 nan 0.000 0.499 613 H N 2.045 121.109 119.070 -0.009 0.000 2.508 613 H HA 0.534 5.090 4.556 0.001 0.000 0.344 613 H C -2.402 172.935 175.328 0.015 0.000 1.192 613 H CA -2.418 53.607 56.048 -0.039 0.000 1.290 613 H CB 0.799 30.501 29.762 -0.100 0.000 1.571 613 H HN 0.062 nan 8.280 nan 0.000 0.555 614 P HA -0.089 nan 4.420 nan 0.000 0.265 614 P C -0.271 177.071 177.300 0.071 0.000 1.187 614 P CA 0.156 63.299 63.100 0.072 0.000 0.766 614 P CB 0.505 32.208 31.700 0.004 0.000 0.820 615 V N 2.353 122.298 119.914 0.052 0.000 2.686 615 V HA 0.552 4.673 4.120 0.001 0.000 0.295 615 V C -0.117 175.951 176.094 -0.042 0.000 1.057 615 V CA -0.633 61.670 62.300 0.005 0.000 1.012 615 V CB 0.898 32.628 31.823 -0.154 0.000 1.006 615 V HN 0.679 nan 8.190 nan 0.000 0.477 616 A N 5.134 127.938 122.820 -0.027 0.000 2.309 616 A HA 0.456 4.777 4.320 0.001 0.000 0.290 616 A C 0.749 178.308 177.584 -0.042 0.000 1.206 616 A CA -0.397 51.621 52.037 -0.031 0.000 0.850 616 A CB 0.315 19.309 19.000 -0.011 0.000 1.118 616 A HN 0.991 nan 8.150 nan 0.000 0.523 617 K N 1.730 122.105 120.400 -0.041 0.000 2.432 617 K HA 0.246 4.566 4.320 0.001 0.000 0.196 617 K C 0.999 177.603 176.600 0.007 0.000 1.038 617 K CA 0.921 57.188 56.287 -0.033 0.000 0.986 617 K CB 0.239 32.721 32.500 -0.031 0.000 0.782 617 K HN 0.902 nan 8.250 nan 0.000 0.485 618 G N -0.150 108.661 108.800 0.019 0.000 2.364 618 G HA2 0.450 4.411 3.960 0.001 0.000 0.286 618 G HA3 0.450 4.411 3.960 0.001 0.000 0.286 618 G C -1.704 173.228 174.900 0.054 0.000 1.241 618 G CA -0.491 44.637 45.100 0.048 0.000 0.887 618 G HN 0.049 nan 8.290 nan 0.000 0.484 619 A N -0.036 122.849 122.820 0.107 0.000 2.362 619 A HA 0.570 4.890 4.320 0.001 0.000 0.276 619 A C 0.437 178.137 177.584 0.193 0.000 1.153 619 A CA -0.119 52.041 52.037 0.206 0.000 0.813 619 A CB 0.403 19.599 19.000 0.326 0.000 1.081 619 A HN 0.382 nan 8.150 nan 0.000 0.507 620 Q N 2.045 121.833 119.800 -0.020 0.000 2.945 620 Q HA 0.205 4.546 4.340 0.001 0.000 0.323 620 Q C -1.466 174.306 176.000 -0.380 0.000 1.188 620 Q CA 0.568 56.266 55.803 -0.176 0.000 0.929 620 Q CB -0.599 27.990 28.738 -0.248 0.000 1.531 620 Q HN 0.601 nan 8.270 nan 0.000 0.444 621 F N -0.461 119.559 119.950 0.117 0.000 2.551 621 F HA 0.503 5.030 4.527 0.001 0.000 0.316 621 F C 0.479 176.294 175.800 0.025 0.000 1.089 621 F CA -1.256 56.814 58.000 0.117 0.000 0.915 621 F CB 1.066 40.193 39.000 0.211 0.000 1.186 621 F HN 0.060 nan 8.300 nan 0.000 0.456 622 A N 3.432 126.342 122.820 0.149 0.000 2.507 622 A HA 0.251 4.571 4.320 0.001 0.000 0.235 622 A C -1.649 175.793 177.584 -0.238 0.000 1.070 622 A CA -0.834 51.188 52.037 -0.025 0.000 0.768 622 A CB -0.379 18.619 19.000 -0.003 0.000 1.011 622 A HN 0.590 nan 8.150 nan 0.000 0.502 623 P HA -0.043 nan 4.420 nan 0.000 0.242 623 P C -0.038 176.970 177.300 -0.487 0.000 1.197 623 P CA 1.164 63.764 63.100 -0.835 0.000 0.765 623 P CB 0.015 31.411 31.700 -0.507 0.000 0.936 624 D N -2.309 117.930 120.400 -0.268 0.000 2.433 624 D HA 0.018 4.658 4.640 0.001 0.000 0.211 624 D C 0.311 176.509 176.300 -0.170 0.000 1.114 624 D CA -0.041 53.834 54.000 -0.208 0.000 0.837 624 D CB -0.248 40.460 40.800 -0.153 0.000 0.984 624 D HN 0.002 nan 8.370 nan 0.000 0.505 625 E N -0.040 120.125 120.200 -0.057 0.000 2.390 625 E HA 0.016 4.366 4.350 0.001 0.000 0.261 625 E C 0.225 176.837 176.600 0.020 0.000 1.076 625 E CA -0.314 56.123 56.400 0.061 0.000 0.905 625 E CB 0.864 30.673 29.700 0.182 0.000 0.984 625 E HN 0.250 nan 8.360 nan 0.000 0.427 626 W N 1.664 122.987 121.300 0.039 0.000 2.379 626 W HA -0.059 4.601 4.660 0.001 0.000 0.307 626 W C 2.217 178.735 176.519 -0.001 0.000 1.200 626 W CA 0.204 57.570 57.345 0.035 0.000 1.297 626 W CB -0.154 29.257 29.460 -0.080 0.000 1.140 626 W HN 0.586 nan 8.180 nan 0.000 0.507 627 I N -0.404 120.198 120.570 0.054 0.000 2.335 627 I HA -0.389 3.781 4.170 0.001 0.000 0.251 627 I C 2.373 178.403 176.117 -0.144 0.000 1.129 627 I CA 1.574 62.795 61.300 -0.132 0.000 1.402 627 I CB -0.307 37.465 38.000 -0.381 0.000 1.069 627 I HN 0.092 nan 8.210 nan 0.000 0.424 628 Y N 0.597 120.754 120.300 -0.239 0.000 2.145 628 Y HA -0.385 4.165 4.550 0.001 0.000 0.286 628 Y C 2.660 178.547 175.900 -0.022 0.000 1.145 628 Y CA 2.367 60.389 58.100 -0.130 0.000 1.148 628 Y CB -0.461 37.973 38.460 -0.044 0.000 0.981 628 Y HN 0.344 nan 8.280 nan 0.000 0.507 629 H N 0.250 119.425 119.070 0.175 0.000 2.319 629 H HA -0.123 4.434 4.556 0.001 0.000 0.299 629 H C 2.087 177.454 175.328 0.065 0.000 1.092 629 H CA 2.335 58.451 56.048 0.113 0.000 1.302 629 H CB -0.106 29.669 29.762 0.022 0.000 1.373 629 H HN 0.279 nan 8.280 nan 0.000 0.497 630 R N -0.386 120.122 120.500 0.013 0.000 2.189 630 R HA 0.114 4.454 4.340 0.001 0.000 0.218 630 R C 0.137 176.354 176.300 -0.137 0.000 1.074 630 R CA 0.837 56.886 56.100 -0.085 0.000 0.991 630 R CB 0.351 30.666 30.300 0.026 0.000 0.883 630 R HN 0.263 nan 8.270 nan 0.000 0.457 631 L N 1.096 122.230 121.223 -0.147 0.000 2.529 631 L HA 0.227 4.567 4.340 0.001 0.000 0.246 631 L C 0.613 177.329 176.870 -0.257 0.000 1.394 631 L CA -0.356 54.411 54.840 -0.122 0.000 0.906 631 L CB 1.659 43.652 42.059 -0.109 0.000 1.170 631 L HN 0.074 nan 8.230 nan 0.000 0.501 632 S N -0.034 115.552 115.700 -0.191 0.000 2.469 632 S HA -0.203 4.268 4.470 0.001 0.000 0.238 632 S C 1.647 176.255 174.600 0.013 0.000 0.998 632 S CA 0.775 58.893 58.200 -0.137 0.000 0.957 632 S CB -0.493 62.719 63.200 0.020 0.000 0.764 632 S HN 0.678 nan 8.310 nan 0.000 0.514 633 F N 1.122 120.937 119.950 -0.225 0.000 2.451 633 F HA 0.253 4.780 4.527 0.001 0.000 0.299 633 F C 1.868 177.725 175.800 0.095 0.000 1.101 633 F CA 0.269 58.131 58.000 -0.229 0.000 1.436 633 F CB -0.749 37.938 39.000 -0.520 0.000 1.074 633 F HN 0.063 nan 8.300 nan 0.000 0.553 634 M N 0.361 119.511 119.600 -0.749 0.000 2.374 634 M HA -0.134 4.346 4.480 0.001 0.000 0.264 634 M C 0.877 177.096 176.300 -0.135 0.000 1.067 634 M CA 1.667 56.629 55.300 -0.564 0.000 1.103 634 M CB -0.348 31.938 32.600 -0.523 0.000 1.402 634 M HN 0.165 nan 8.290 nan 0.000 0.444 635 D N -0.354 120.031 120.400 -0.026 0.000 2.441 635 D HA 0.065 4.705 4.640 0.001 0.000 0.210 635 D C -0.351 175.992 176.300 0.071 0.000 1.102 635 D CA 0.338 54.351 54.000 0.023 0.000 0.840 635 D CB 0.653 41.428 40.800 -0.042 0.000 0.990 635 D HN -0.058 nan 8.370 nan 0.000 0.505 636 K N 0.277 120.771 120.400 0.155 0.000 2.371 636 K HA 0.353 4.674 4.320 0.001 0.000 0.251 636 K C 0.034 176.754 176.600 0.199 0.000 0.934 636 K CA -0.506 55.782 56.287 0.000 0.000 0.798 636 K CB 1.739 33.929 32.500 -0.517 0.000 1.204 636 K HN -0.195 nan 8.250 nan 0.000 0.427 637 Q N 0.177 120.064 119.800 0.144 0.000 2.354 637 Q HA 0.137 4.477 4.340 0.001 0.000 0.203 637 Q C -0.136 176.022 176.000 0.264 0.000 0.933 637 Q CA 0.365 56.317 55.803 0.248 0.000 0.901 637 Q CB 0.288 29.175 28.738 0.249 0.000 1.007 637 Q HN 0.381 nan 8.270 nan 0.000 0.495 638 L N -0.074 121.228 121.223 0.131 0.000 2.385 638 L HA 0.579 4.920 4.340 0.001 0.000 0.273 638 L C -2.020 174.861 176.870 0.018 0.000 0.990 638 L CA -0.522 54.416 54.840 0.163 0.000 0.821 638 L CB 1.076 43.206 42.059 0.118 0.000 1.279 638 L HN -0.009 nan 8.230 nan 0.000 0.412 639 W N 4.271 125.707 121.300 0.226 0.000 2.936 639 W HA 0.791 5.451 4.660 0.001 0.000 0.338 639 W C -1.196 175.519 176.519 0.326 0.000 1.121 639 W CA -0.830 56.645 57.345 0.217 0.000 1.209 639 W CB 2.094 31.629 29.460 0.125 0.000 1.420 639 W HN 0.294 nan 8.180 nan 0.000 0.516 640 V N 2.182 122.385 119.914 0.481 0.000 2.686 640 V HA 0.796 4.916 4.120 0.001 0.000 0.306 640 V C -0.249 176.076 176.094 0.385 0.000 1.065 640 V CA -0.877 61.679 62.300 0.427 0.000 0.894 640 V CB 1.723 33.700 31.823 0.257 0.000 1.004 640 V HN 0.582 nan 8.190 nan 0.000 0.424 641 T N 1.288 116.095 114.554 0.421 0.000 2.896 641 T HA 0.660 5.011 4.350 0.001 0.000 0.297 641 T C -0.478 174.348 174.700 0.210 0.000 1.108 641 T CA -0.928 61.363 62.100 0.318 0.000 1.004 641 T CB 1.869 70.958 68.868 0.369 0.000 1.159 641 T HN 0.546 nan 8.240 nan 0.000 0.499 642 R N 0.994 121.559 120.500 0.107 0.000 2.489 642 R HA 0.213 4.553 4.340 0.001 0.000 0.287 642 R C -0.513 175.666 176.300 -0.201 0.000 1.053 642 R CA -0.488 55.590 56.100 -0.037 0.000 1.036 642 R CB 0.027 30.277 30.300 -0.084 0.000 0.966 642 R HN 0.730 nan 8.270 nan 0.000 0.432 643 Y N 4.768 124.916 120.300 -0.253 0.000 2.721 643 Y HA -0.052 4.499 4.550 0.001 0.000 0.329 643 Y C -0.784 174.829 175.900 -0.479 0.000 1.211 643 Y CA 0.682 58.640 58.100 -0.237 0.000 1.512 643 Y CB 0.284 38.667 38.460 -0.130 0.000 1.249 643 Y HN 0.498 nan 8.280 nan 0.000 0.549 644 H N 7.766 126.402 119.070 -0.722 0.000 2.856 644 H HA 0.187 4.743 4.556 0.001 0.000 0.355 644 H C -1.932 172.905 175.328 -0.818 0.000 1.079 644 H CA -1.985 53.641 56.048 -0.704 0.000 1.240 644 H CB 1.968 31.530 29.762 -0.333 0.000 1.701 644 H HN 0.466 nan 8.280 nan 0.000 0.527 645 P HA -0.092 nan 4.420 nan 0.000 0.219 645 P C 1.129 178.303 177.300 -0.209 0.000 1.146 645 P CA 1.175 64.064 63.100 -0.353 0.000 0.808 645 P CB 0.202 31.826 31.700 -0.125 0.000 0.779 646 G N -0.484 108.203 108.800 -0.188 0.000 3.434 646 G HA2 0.053 4.013 3.960 0.001 0.000 0.258 646 G HA3 0.053 4.013 3.960 0.001 0.000 0.258 646 G C 0.091 174.872 174.900 -0.198 0.000 1.128 646 G CA -0.165 44.852 45.100 -0.138 0.000 0.792 646 G HN 0.243 nan 8.290 nan 0.000 0.539 647 E N 0.541 120.546 120.200 -0.326 0.000 2.173 647 E HA 0.327 4.678 4.350 0.001 0.000 0.249 647 E C 0.424 176.822 176.600 -0.337 0.000 0.923 647 E CA -0.380 55.657 56.400 -0.605 0.000 0.754 647 E CB 1.055 30.168 29.700 -0.978 0.000 1.177 647 E HN 0.199 nan 8.360 nan 0.000 0.430 648 R N 1.215 121.525 120.500 -0.317 0.000 2.435 648 R HA 0.195 4.536 4.340 0.001 0.000 0.221 648 R C -0.211 175.874 176.300 -0.359 0.000 0.885 648 R CA 0.196 55.990 56.100 -0.510 0.000 1.018 648 R CB 0.755 30.385 30.300 -1.116 0.000 1.259 648 R HN 0.204 nan 8.270 nan 0.000 0.597 649 F N 1.920 122.080 119.950 0.350 0.000 2.467 649 F HA 0.365 4.893 4.527 0.001 0.000 0.336 649 F C -1.574 174.190 175.800 -0.061 0.000 1.123 649 F CA -3.020 55.062 58.000 0.136 0.000 0.964 649 F CB 1.444 40.431 39.000 -0.023 0.000 1.136 649 F HN -0.247 nan 8.300 nan 0.000 0.447 650 P HA -0.176 nan 4.420 nan 0.000 0.219 650 P C 0.819 177.645 177.300 -0.791 0.000 1.150 650 P CA 1.552 64.224 63.100 -0.714 0.000 0.814 650 P CB 0.236 31.330 31.700 -1.010 0.000 0.787 651 E N 0.322 120.172 120.200 -0.583 0.000 2.479 651 E HA 0.185 4.535 4.350 0.001 0.000 0.193 651 E C 0.794 177.272 176.600 -0.203 0.000 1.049 651 E CA 0.482 56.706 56.400 -0.295 0.000 0.870 651 E CB -0.493 29.116 29.700 -0.152 0.000 0.944 651 E HN 0.162 nan 8.360 nan 0.000 0.492 652 G N 2.030 110.712 108.800 -0.196 0.000 2.692 652 G HA2 -0.281 3.680 3.960 0.001 0.000 0.686 652 G HA3 -0.281 3.680 3.960 0.001 0.000 0.686 652 G C 0.062 174.908 174.900 -0.091 0.000 1.243 652 G CA -0.043 44.978 45.100 -0.131 0.000 0.782 652 G HN 0.180 nan 8.290 nan 0.000 0.625 653 K N -0.512 119.858 120.400 -0.051 0.000 2.155 653 K HA 0.070 4.391 4.320 0.001 0.000 0.203 653 K C 0.330 176.523 176.600 -0.679 0.000 1.052 653 K CA 1.291 57.375 56.287 -0.340 0.000 0.948 653 K CB -0.051 32.331 32.500 -0.198 0.000 0.728 653 K HN 0.523 nan 8.250 nan 0.000 0.448 654 Y N 0.507 120.743 120.300 -0.108 0.000 2.748 654 Y HA 0.271 4.822 4.550 0.001 0.000 0.359 654 Y C -2.057 173.785 175.900 -0.096 0.000 1.030 654 Y CA -2.245 55.795 58.100 -0.100 0.000 1.169 654 Y CB 1.577 40.000 38.460 -0.062 0.000 1.127 654 Y HN 0.122 nan 8.280 nan 0.000 0.644 655 P HA -0.037 nan 4.420 nan 0.000 0.240 655 P C 0.110 177.396 177.300 -0.023 0.000 1.190 655 P CA 0.382 63.458 63.100 -0.041 0.000 0.781 655 P CB 0.449 32.113 31.700 -0.061 0.000 0.931 656 N N 2.172 120.872 118.700 -0.001 0.000 2.423 656 N HA -0.041 4.699 4.740 0.001 0.000 0.275 656 N C 0.395 175.854 175.510 -0.084 0.000 1.283 656 N CA 0.332 53.360 53.050 -0.037 0.000 0.932 656 N CB -0.552 37.923 38.487 -0.019 0.000 1.185 656 N HN -0.065 nan 8.380 nan 0.000 0.483 657 R N 0.223 120.648 120.500 -0.125 0.000 3.875 657 R HA -0.185 4.155 4.340 0.001 0.000 0.321 657 R C -0.193 176.033 176.300 -0.124 0.000 1.196 657 R CA 0.872 56.877 56.100 -0.157 0.000 0.868 657 R CB -2.813 27.242 30.300 -0.408 0.000 1.333 657 R HN 0.741 nan 8.270 nan 0.000 0.522 658 S N -0.305 115.335 115.700 -0.101 0.000 2.566 658 S HA 0.121 4.591 4.470 0.001 0.000 0.280 658 S C 1.438 175.865 174.600 -0.288 0.000 1.343 658 S CA 0.298 58.417 58.200 -0.136 0.000 1.036 658 S CB 1.465 64.591 63.200 -0.125 0.000 0.866 658 S HN 0.357 nan 8.310 nan 0.000 0.526 659 T N -2.825 111.553 114.554 -0.294 0.000 3.010 659 T HA 0.229 4.579 4.350 0.001 0.000 0.257 659 T C 0.292 175.042 174.700 0.084 0.000 1.020 659 T CA 0.162 61.928 62.100 -0.557 0.000 0.938 659 T CB -0.467 68.010 68.868 -0.651 0.000 1.049 659 T HN 1.031 nan 8.240 nan 0.000 0.522 660 H N -1.364 117.663 119.070 -0.071 0.000 3.068 660 H HA 0.403 4.959 4.556 0.001 0.000 0.342 660 H C -2.105 173.149 175.328 -0.123 0.000 1.284 660 H CA -0.933 55.096 56.048 -0.031 0.000 1.181 660 H CB 0.650 30.438 29.762 0.044 0.000 1.898 660 H HN -0.014 nan 8.280 nan 0.000 0.540 661 D N 1.838 122.072 120.400 -0.277 0.000 2.412 661 D HA 0.008 4.649 4.640 0.001 0.000 0.257 661 D C 0.735 176.814 176.300 -0.369 0.000 1.217 661 D CA 0.763 54.574 54.000 -0.315 0.000 0.897 661 D CB 0.709 41.345 40.800 -0.275 0.000 1.132 661 D HN 0.657 nan 8.370 nan 0.000 0.493 662 T N 0.548 114.858 114.554 -0.405 0.000 3.182 662 T HA 0.432 4.782 4.350 0.001 0.000 0.277 662 T C 0.811 175.249 174.700 -0.437 0.000 1.013 662 T CA -0.177 61.714 62.100 -0.348 0.000 0.900 662 T CB 0.735 69.432 68.868 -0.286 0.000 1.098 662 T HN 0.265 nan 8.240 nan 0.000 0.543 663 G N 1.141 109.563 108.800 -0.630 0.000 3.434 663 G HA2 0.478 4.438 3.960 0.001 0.000 0.197 663 G HA3 0.478 4.438 3.960 0.001 0.000 0.197 663 G C 0.727 174.676 174.900 -1.585 0.000 1.559 663 G CA -0.652 43.801 45.100 -1.079 0.000 0.852 663 G HN 0.274 nan 8.290 nan 0.000 0.682 664 L N 1.070 121.573 121.223 -1.200 0.000 2.191 664 L HA 0.015 4.356 4.340 0.001 0.000 0.212 664 L C 2.954 179.452 176.870 -0.619 0.000 1.103 664 L CA 1.062 55.232 54.840 -1.117 0.000 0.769 664 L CB -0.380 40.718 42.059 -1.602 0.000 0.908 664 L HN 0.560 nan 8.230 nan 0.000 0.438 665 G N -1.070 107.458 108.800 -0.454 0.000 2.404 665 G HA2 -0.304 3.657 3.960 0.001 0.000 0.215 665 G HA3 -0.304 3.657 3.960 0.001 0.000 0.215 665 G C 1.430 176.254 174.900 -0.127 0.000 1.174 665 G CA 0.530 45.536 45.100 -0.156 0.000 0.780 665 G HN 0.355 nan 8.290 nan 0.000 0.537 666 Q N -0.858 118.796 119.800 -0.243 0.000 2.050 666 Q HA -0.168 4.172 4.340 0.001 0.000 0.202 666 Q C 2.333 178.357 176.000 0.039 0.000 0.980 666 Q CA 1.364 57.101 55.803 -0.109 0.000 0.840 666 Q CB -0.253 28.395 28.738 -0.151 0.000 0.898 666 Q HN 0.534 nan 8.270 nan 0.000 0.424 667 Y N 0.178 120.422 120.300 -0.093 0.000 2.333 667 Y HA -0.116 4.434 4.550 0.001 0.000 0.290 667 Y C 2.463 178.375 175.900 0.021 0.000 1.144 667 Y CA 1.296 59.363 58.100 -0.055 0.000 1.228 667 Y CB -0.470 37.892 38.460 -0.164 0.000 0.985 667 Y HN 0.292 nan 8.280 nan 0.000 0.542 668 S N -1.742 114.063 115.700 0.175 0.000 2.559 668 S HA 0.138 4.608 4.470 0.001 0.000 0.226 668 S C 1.613 176.300 174.600 0.145 0.000 1.000 668 S CA -0.152 58.160 58.200 0.186 0.000 0.948 668 S CB 0.191 63.544 63.200 0.255 0.000 0.870 668 S HN 0.139 nan 8.310 nan 0.000 0.497 669 K N 3.290 123.759 120.400 0.114 0.000 2.097 669 K HA -0.134 4.187 4.320 0.001 0.000 0.206 669 K C 1.330 177.982 176.600 0.088 0.000 1.049 669 K CA 2.023 58.365 56.287 0.092 0.000 0.933 669 K CB -0.418 32.125 32.500 0.072 0.000 0.717 669 K HN 0.558 nan 8.250 nan 0.000 0.442 670 D N -0.254 120.203 120.400 0.094 0.000 2.363 670 D HA -0.146 4.494 4.640 0.001 0.000 0.226 670 D C -0.187 176.166 176.300 0.089 0.000 1.020 670 D CA 0.201 54.251 54.000 0.084 0.000 0.892 670 D CB -0.794 40.056 40.800 0.084 0.000 0.900 670 D HN 0.200 nan 8.370 nan 0.000 0.531 671 N N 1.785 120.545 118.700 0.099 0.000 2.666 671 N HA -0.203 4.537 4.740 0.001 0.000 0.274 671 N C -0.752 174.813 175.510 0.093 0.000 1.043 671 N CA 0.495 53.602 53.050 0.094 0.000 0.782 671 N CB -0.819 37.713 38.487 0.075 0.000 0.912 671 N HN 0.487 nan 8.380 nan 0.000 0.556 672 E N -0.331 119.935 120.200 0.110 0.000 2.369 672 E HA 0.201 4.551 4.350 0.001 0.000 0.255 672 E C 0.211 176.868 176.600 0.094 0.000 1.172 672 E CA -0.504 55.959 56.400 0.106 0.000 0.932 672 E CB 0.537 30.316 29.700 0.132 0.000 1.040 672 E HN 0.365 nan 8.360 nan 0.000 0.454 673 S N 0.314 116.064 115.700 0.083 0.000 2.565 673 S HA 0.176 4.646 4.470 0.001 0.000 0.274 673 S C 0.316 174.962 174.600 0.077 0.000 1.309 673 S CA -0.460 57.784 58.200 0.074 0.000 1.043 673 S CB 0.199 63.436 63.200 0.063 0.000 0.939 673 S HN 0.424 nan 8.310 nan 0.000 0.504 674 L N 2.901 124.169 121.223 0.075 0.000 3.066 674 L HA 0.353 4.694 4.340 0.001 0.000 0.265 674 L C -0.224 176.684 176.870 0.063 0.000 1.232 674 L CA -0.165 54.721 54.840 0.076 0.000 1.031 674 L CB 0.371 42.483 42.059 0.090 0.000 1.379 674 L HN 0.571 nan 8.230 nan 0.000 0.563 675 D N 0.531 120.965 120.400 0.055 0.000 2.295 675 D HA 0.096 4.737 4.640 0.001 0.000 0.248 675 D C 0.583 176.907 176.300 0.039 0.000 1.154 675 D CA -0.070 53.958 54.000 0.046 0.000 0.857 675 D CB 0.555 41.381 40.800 0.043 0.000 1.117 675 D HN -0.006 nan 8.370 nan 0.000 0.468 676 N N 2.034 120.754 118.700 0.034 0.000 2.686 676 N HA -0.233 4.508 4.740 0.001 0.000 0.261 676 N C -1.539 173.988 175.510 0.028 0.000 1.001 676 N CA 1.244 54.310 53.050 0.027 0.000 0.764 676 N CB -0.691 37.809 38.487 0.021 0.000 0.898 676 N HN 0.399 nan 8.380 nan 0.000 0.544 677 T N -0.756 113.819 114.554 0.034 0.000 2.883 677 T HA 0.248 4.598 4.350 0.001 0.000 0.301 677 T C -1.400 173.322 174.700 0.036 0.000 1.158 677 T CA -0.781 61.340 62.100 0.035 0.000 1.007 677 T CB 1.170 70.064 68.868 0.043 0.000 1.186 677 T HN 0.163 nan 8.240 nan 0.000 0.499 678 D N 2.037 122.454 120.400 0.029 0.000 2.451 678 D HA 0.399 5.040 4.640 0.001 0.000 0.254 678 D C -0.111 176.228 176.300 0.064 0.000 1.204 678 D CA 0.344 54.360 54.000 0.025 0.000 0.896 678 D CB 0.393 41.191 40.800 -0.003 0.000 1.136 678 D HN 0.744 nan 8.370 nan 0.000 0.499 679 A N 3.256 126.118 122.820 0.071 0.000 2.320 679 A HA 0.656 4.976 4.320 0.001 0.000 0.334 679 A C -0.808 176.845 177.584 0.115 0.000 1.147 679 A CA -0.696 51.403 52.037 0.105 0.000 0.820 679 A CB 1.614 20.676 19.000 0.103 0.000 1.218 679 A HN 0.371 nan 8.150 nan 0.000 0.482 680 V N 1.885 121.892 119.914 0.154 0.000 2.487 680 V HA 0.401 4.522 4.120 0.001 0.000 0.298 680 V C -0.436 175.719 176.094 0.102 0.000 1.028 680 V CA -0.498 61.852 62.300 0.082 0.000 0.860 680 V CB 1.549 33.424 31.823 0.087 0.000 0.991 680 V HN 0.662 nan 8.190 nan 0.000 0.427 681 V N 4.251 124.153 119.914 -0.020 0.000 2.427 681 V HA 0.487 4.607 4.120 0.001 0.000 0.286 681 V C -1.005 175.082 176.094 -0.012 0.000 1.034 681 V CA -0.500 61.860 62.300 0.101 0.000 0.893 681 V CB 1.649 33.525 31.823 0.087 0.000 0.982 681 V HN 0.905 nan 8.190 nan 0.000 0.452 682 W N 4.914 126.346 121.300 0.219 0.000 2.538 682 W HA 0.725 5.386 4.660 0.001 0.000 0.322 682 W C -0.250 176.452 176.519 0.304 0.000 1.028 682 W CA -0.568 56.916 57.345 0.232 0.000 1.228 682 W CB 1.319 30.888 29.460 0.182 0.000 1.356 682 W HN 0.261 nan 8.180 nan 0.000 0.452 683 M N 3.308 123.186 119.600 0.464 0.000 2.167 683 M HA 0.416 4.896 4.480 0.001 0.000 0.333 683 M C -0.343 176.233 176.300 0.460 0.000 1.030 683 M CA -0.321 55.221 55.300 0.404 0.000 0.963 683 M CB 1.805 34.567 32.600 0.271 0.000 1.589 683 M HN 0.235 nan 8.290 nan 0.000 0.431 684 T N 1.545 116.367 114.554 0.447 0.000 2.824 684 T HA 0.580 4.930 4.350 0.001 0.000 0.280 684 T C -0.327 174.583 174.700 0.351 0.000 0.995 684 T CA -0.403 61.949 62.100 0.420 0.000 1.009 684 T CB 1.617 70.761 68.868 0.460 0.000 0.955 684 T HN 0.707 nan 8.240 nan 0.000 0.452 685 T N 1.241 116.012 114.554 0.363 0.000 2.932 685 T HA 0.743 5.094 4.350 0.001 0.000 0.318 685 T C -0.725 174.183 174.700 0.347 0.000 1.265 685 T CA -0.216 62.091 62.100 0.345 0.000 1.036 685 T CB 1.420 70.526 68.868 0.397 0.000 1.209 685 T HN 0.926 nan 8.240 nan 0.000 0.484 686 G N 1.147 110.104 108.800 0.261 0.000 2.606 686 G HA2 0.690 4.651 3.960 0.001 0.000 0.300 686 G HA3 0.690 4.651 3.960 0.001 0.000 0.300 686 G C -0.834 174.171 174.900 0.174 0.000 1.360 686 G CA -0.035 45.185 45.100 0.200 0.000 0.783 686 G HN 1.090 nan 8.290 nan 0.000 0.484 687 T N -2.782 111.862 114.554 0.150 0.000 2.907 687 T HA 0.685 5.036 4.350 0.001 0.000 0.292 687 T C -0.707 173.997 174.700 0.007 0.000 1.043 687 T CA -0.574 61.599 62.100 0.121 0.000 1.003 687 T CB 2.022 71.020 68.868 0.218 0.000 1.084 687 T HN 0.457 nan 8.240 nan 0.000 0.483 688 T N 2.153 116.674 114.554 -0.056 0.000 2.753 688 T HA 0.286 4.637 4.350 0.001 0.000 0.297 688 T C -0.584 173.979 174.700 -0.227 0.000 0.981 688 T CA -0.321 61.693 62.100 -0.143 0.000 0.956 688 T CB -0.261 68.538 68.868 -0.115 0.000 0.936 688 T HN 0.780 nan 8.240 nan 0.000 0.463 689 H N 3.858 122.622 119.070 -0.510 0.000 2.787 689 H HA 0.485 5.042 4.556 0.001 0.000 0.275 689 H C -0.596 174.413 175.328 -0.531 0.000 1.183 689 H CA -0.724 54.908 56.048 -0.694 0.000 1.290 689 H CB 0.252 29.493 29.762 -0.868 0.000 1.438 689 H HN 0.285 nan 8.280 nan 0.000 0.487 690 V N 4.979 124.827 119.914 -0.110 0.000 2.406 690 V HA 0.323 4.444 4.120 0.001 0.000 0.272 690 V C 0.644 176.762 176.094 0.040 0.000 1.043 690 V CA -0.427 61.825 62.300 -0.079 0.000 0.915 690 V CB 0.704 32.480 31.823 -0.077 0.000 0.988 690 V HN 0.884 nan 8.190 nan 0.000 0.466 691 A N 6.768 129.566 122.820 -0.036 0.000 2.296 691 A HA 0.871 5.191 4.320 0.001 0.000 0.264 691 A C 0.298 177.912 177.584 0.049 0.000 1.097 691 A CA -0.355 51.700 52.037 0.029 0.000 0.811 691 A CB 0.539 19.486 19.000 -0.087 0.000 1.072 691 A HN 1.001 nan 8.150 nan 0.000 0.495 692 R N -1.213 119.341 120.500 0.091 0.000 2.663 692 R HA 0.586 4.926 4.340 0.001 0.000 0.267 692 R C 0.310 176.660 176.300 0.083 0.000 1.038 692 R CA -0.139 55.998 56.100 0.062 0.000 0.886 692 R CB 0.995 31.336 30.300 0.069 0.000 1.249 692 R HN 0.852 nan 8.270 nan 0.000 0.463 693 A N 1.409 124.263 122.820 0.057 0.000 1.986 693 A HA -0.206 4.114 4.320 0.001 0.000 0.220 693 A C 1.448 179.110 177.584 0.131 0.000 1.171 693 A CA 2.018 54.107 52.037 0.086 0.000 0.640 693 A CB -0.626 18.402 19.000 0.047 0.000 0.811 693 A HN 0.850 nan 8.150 nan 0.000 0.451 694 E N 0.112 120.372 120.200 0.099 0.000 2.396 694 E HA -0.142 4.208 4.350 0.001 0.000 0.200 694 E C 1.094 177.758 176.600 0.107 0.000 1.023 694 E CA 1.258 57.710 56.400 0.088 0.000 0.857 694 E CB -0.128 29.611 29.700 0.065 0.000 0.775 694 E HN 0.802 nan 8.360 nan 0.000 0.525 695 E N -0.964 119.332 120.200 0.161 0.000 2.499 695 E HA 0.076 4.426 4.350 0.001 0.000 0.199 695 E C -0.558 176.203 176.600 0.267 0.000 1.016 695 E CA -0.302 56.207 56.400 0.183 0.000 0.933 695 E CB 0.479 30.326 29.700 0.245 0.000 1.050 695 E HN 0.174 nan 8.360 nan 0.000 0.462 696 W N 1.661 122.967 121.300 0.010 0.000 2.998 696 W HA 0.252 4.912 4.660 0.001 0.000 0.335 696 W C -2.443 174.083 176.519 0.012 0.000 1.110 696 W CA -2.068 55.279 57.345 0.004 0.000 1.230 696 W CB 1.798 31.260 29.460 0.003 0.000 1.405 696 W HN -0.121 nan 8.180 nan 0.000 0.493 697 P HA 0.095 nan 4.420 nan 0.000 0.236 697 P C 0.072 176.999 177.300 -0.620 0.000 1.177 697 P CA 0.867 63.264 63.100 -1.172 0.000 0.773 697 P CB 1.413 32.621 31.700 -0.821 0.000 0.878 698 I N -0.484 119.913 120.570 -0.288 0.000 2.582 698 I HA 0.366 4.536 4.170 0.001 0.000 0.292 698 I C -0.710 175.329 176.117 -0.130 0.000 1.066 698 I CA -1.759 59.386 61.300 -0.259 0.000 1.053 698 I CB 2.664 40.506 38.000 -0.263 0.000 1.241 698 I HN -0.283 nan 8.210 nan 0.000 0.421 699 M N 9.561 129.081 119.600 -0.133 0.000 2.144 699 M HA 0.527 5.008 4.480 0.001 0.000 0.356 699 M C -2.478 173.757 176.300 -0.109 0.000 1.217 699 M CA -1.420 53.845 55.300 -0.057 0.000 1.087 699 M CB 1.086 33.682 32.600 -0.006 0.000 1.609 699 M HN 0.235 nan 8.290 nan 0.000 0.467 700 P HA 0.087 nan 4.420 nan 0.000 0.268 700 P C -0.903 176.300 177.300 -0.163 0.000 1.204 700 P CA -0.000 63.041 63.100 -0.097 0.000 0.768 700 P CB 0.338 32.003 31.700 -0.058 0.000 0.842 701 T N 3.917 118.363 114.554 -0.179 0.000 2.871 701 T HA 0.050 4.400 4.350 0.001 0.000 0.296 701 T C 0.255 174.753 174.700 -0.336 0.000 0.998 701 T CA 0.231 62.146 62.100 -0.308 0.000 1.162 701 T CB -0.164 68.545 68.868 -0.264 0.000 0.947 701 T HN 0.336 nan 8.240 nan 0.000 0.536 702 E N 2.332 122.233 120.200 -0.499 0.000 2.195 702 E HA 0.342 4.693 4.350 0.001 0.000 0.271 702 E C -0.872 175.414 176.600 -0.524 0.000 0.923 702 E CA -0.507 55.610 56.400 -0.471 0.000 0.790 702 E CB 1.816 31.082 29.700 -0.724 0.000 1.155 702 E HN 0.608 nan 8.360 nan 0.000 0.402 703 W N 1.200 122.340 121.300 -0.267 0.000 2.761 703 W HA 0.467 5.128 4.660 0.001 0.000 0.340 703 W C -0.381 175.906 176.519 -0.386 0.000 1.072 703 W CA -0.766 56.395 57.345 -0.307 0.000 1.215 703 W CB 1.695 30.991 29.460 -0.273 0.000 1.420 703 W HN 0.221 nan 8.180 nan 0.000 0.519 704 V N -0.320 119.515 119.914 -0.131 0.000 2.735 704 V HA 0.587 4.708 4.120 0.001 0.000 0.310 704 V C -0.777 175.152 176.094 -0.276 0.000 1.061 704 V CA -0.960 61.221 62.300 -0.198 0.000 0.913 704 V CB 1.623 33.489 31.823 0.073 0.000 1.005 704 V HN 0.582 nan 8.190 nan 0.000 0.428 705 H N 2.624 121.724 119.070 0.050 0.000 2.492 705 H HA 0.813 5.369 4.556 0.001 0.000 0.345 705 H C 0.020 175.308 175.328 -0.068 0.000 1.136 705 H CA 0.081 56.102 56.048 -0.045 0.000 1.202 705 H CB 2.173 31.882 29.762 -0.088 0.000 1.524 705 H HN 1.045 nan 8.280 nan 0.000 0.506 706 T N 0.204 114.743 114.554 -0.026 0.000 2.906 706 T HA 0.622 4.972 4.350 0.001 0.000 0.295 706 T C -0.902 173.704 174.700 -0.157 0.000 1.075 706 T CA -0.833 61.207 62.100 -0.101 0.000 1.005 706 T CB 1.879 70.641 68.868 -0.176 0.000 1.136 706 T HN 0.228 nan 8.240 nan 0.000 0.498 707 L N 1.036 122.175 121.223 -0.140 0.000 2.434 707 L HA 0.731 5.071 4.340 0.001 0.000 0.260 707 L C -1.621 175.193 176.870 -0.093 0.000 0.983 707 L CA -0.883 53.879 54.840 -0.131 0.000 0.820 707 L CB 2.267 44.271 42.059 -0.091 0.000 1.361 707 L HN 0.817 nan 8.230 nan 0.000 0.410 708 L N 3.715 124.899 121.223 -0.065 0.000 2.471 708 L HA 0.494 4.834 4.340 0.001 0.000 0.263 708 L C -0.840 176.151 176.870 0.200 0.000 0.985 708 L CA -0.576 54.306 54.840 0.072 0.000 0.868 708 L CB 1.456 43.524 42.059 0.015 0.000 1.203 708 L HN 0.478 nan 8.230 nan 0.000 0.429 709 K N 4.256 124.759 120.400 0.171 0.000 2.206 709 K HA 0.478 4.798 4.320 0.001 0.000 0.264 709 K C -2.537 173.921 176.600 -0.236 0.000 0.967 709 K CA -1.832 54.481 56.287 0.044 0.000 0.844 709 K CB 1.729 34.264 32.500 0.058 0.000 1.099 709 K HN 0.167 nan 8.250 nan 0.000 0.441 710 P HA -0.079 nan 4.420 nan 0.000 0.267 710 P C -0.978 176.171 177.300 -0.252 0.000 1.205 710 P CA -0.022 62.476 63.100 -1.004 0.000 0.765 710 P CB 0.504 31.838 31.700 -0.610 0.000 0.828 711 W N 5.746 126.857 121.300 -0.316 0.000 2.391 711 W HA 0.164 4.824 4.660 0.001 0.000 0.312 711 W C -0.265 176.220 176.519 -0.057 0.000 1.003 711 W CA -0.319 56.955 57.345 -0.118 0.000 1.375 711 W CB 0.133 29.548 29.460 -0.075 0.000 1.253 711 W HN 0.530 nan 8.180 nan 0.000 0.416 712 N N 3.398 122.029 118.700 -0.116 0.000 2.708 712 N HA -0.332 4.409 4.740 0.001 0.000 0.251 712 N C 0.439 175.939 175.510 -0.017 0.000 1.123 712 N CA 1.575 54.594 53.050 -0.051 0.000 0.739 712 N CB -1.938 36.566 38.487 0.029 0.000 1.113 712 N HN 0.568 nan 8.380 nan 0.000 0.561 713 F N -0.266 119.549 119.950 -0.225 0.000 2.259 713 F HA 0.137 4.665 4.527 0.001 0.000 0.298 713 F C 0.730 176.184 175.800 -0.578 0.000 1.088 713 F CA 0.864 58.608 58.000 -0.427 0.000 1.358 713 F CB 0.197 38.802 39.000 -0.659 0.000 1.040 713 F HN -0.034 nan 8.300 nan 0.000 0.505 714 F N -0.062 119.917 119.950 0.047 0.000 2.557 714 F HA 0.270 4.798 4.527 0.001 0.000 0.336 714 F C 1.194 176.952 175.800 -0.071 0.000 1.058 714 F CA -0.950 57.035 58.000 -0.025 0.000 0.988 714 F CB 0.423 39.400 39.000 -0.038 0.000 1.275 714 F HN -0.322 nan 8.300 nan 0.000 0.488 715 D N -0.445 120.046 120.400 0.151 0.000 2.366 715 D HA 0.049 4.690 4.640 0.001 0.000 0.205 715 D C 0.172 176.479 176.300 0.012 0.000 1.022 715 D CA 0.666 54.690 54.000 0.040 0.000 0.868 715 D CB 0.411 41.223 40.800 0.020 0.000 0.953 715 D HN 0.735 nan 8.370 nan 0.000 0.514 716 E N -1.324 118.890 120.200 0.024 0.000 2.449 716 E HA 0.251 4.602 4.350 0.001 0.000 0.278 716 E C -1.101 175.458 176.600 -0.070 0.000 1.059 716 E CA -0.783 55.594 56.400 -0.037 0.000 0.854 716 E CB 0.493 30.166 29.700 -0.044 0.000 1.465 716 E HN -0.340 nan 8.360 nan 0.000 0.462 717 T N 3.073 117.567 114.554 -0.101 0.000 2.704 717 T HA 0.021 4.371 4.350 0.001 0.000 0.271 717 T C -1.795 172.826 174.700 -0.133 0.000 1.000 717 T CA -0.376 61.655 62.100 -0.114 0.000 1.216 717 T CB 0.135 68.916 68.868 -0.145 0.000 0.961 717 T HN 0.318 nan 8.240 nan 0.000 0.515 718 P HA -0.051 nan 4.420 nan 0.000 0.221 718 P C 1.285 178.461 177.300 -0.206 0.000 1.145 718 P CA 0.882 63.726 63.100 -0.426 0.000 0.795 718 P CB 0.044 31.303 31.700 -0.734 0.000 0.775 719 T N -4.893 109.627 114.554 -0.056 0.000 3.215 719 T HA 0.268 4.619 4.350 0.001 0.000 0.271 719 T C 1.324 176.078 174.700 0.090 0.000 1.012 719 T CA -0.258 61.850 62.100 0.012 0.000 0.899 719 T CB -0.893 67.997 68.868 0.036 0.000 1.089 719 T HN -0.035 nan 8.240 nan 0.000 0.552 720 L N 1.165 122.426 121.223 0.063 0.000 2.141 720 L HA 0.283 4.623 4.340 0.001 0.000 0.209 720 L C 1.610 178.506 176.870 0.044 0.000 1.094 720 L CA 1.362 56.248 54.840 0.075 0.000 0.763 720 L CB -0.701 41.357 42.059 -0.002 0.000 0.908 720 L HN 0.797 nan 8.230 nan 0.000 0.437 721 G N -1.672 107.131 108.800 0.005 0.000 2.423 721 G HA2 0.080 4.041 3.960 0.001 0.000 0.684 721 G HA3 0.080 4.041 3.960 0.001 0.000 0.684 721 G C -0.672 174.220 174.900 -0.013 0.000 1.309 721 G CA -0.625 44.470 45.100 -0.008 0.000 0.950 721 G HN 0.332 nan 8.290 nan 0.000 0.587 722 A N -0.544 122.267 122.820 -0.016 0.000 2.477 722 A HA 0.585 4.905 4.320 0.001 0.000 0.246 722 A C 0.492 178.071 177.584 -0.008 0.000 1.078 722 A CA 0.250 52.279 52.037 -0.012 0.000 0.770 722 A CB 0.772 19.763 19.000 -0.015 0.000 1.011 722 A HN 1.978 nan 8.150 nan 0.000 0.494 723 L N 1.952 123.171 121.223 -0.007 0.000 2.380 723 L HA 0.228 4.569 4.340 0.001 0.000 0.273 723 L C 1.247 178.113 176.870 -0.006 0.000 1.138 723 L CA 0.611 55.447 54.840 -0.007 0.000 0.832 723 L CB 0.641 42.696 42.059 -0.006 0.000 1.124 723 L HN 0.785 nan 8.230 nan 0.000 0.454 724 K N 3.290 123.687 120.400 -0.006 0.000 2.426 724 K HA 0.126 4.447 4.320 0.001 0.000 0.193 724 K C -0.368 176.229 176.600 -0.006 0.000 1.028 724 K CA 0.449 56.732 56.287 -0.006 0.000 1.047 724 K CB 0.285 32.782 32.500 -0.005 0.000 0.821 724 K HN 0.481 nan 8.250 nan 0.000 0.513 725 K N 1.019 121.415 120.400 -0.006 0.000 2.723 725 K HA 0.229 4.549 4.320 0.001 0.000 0.229 725 K C -1.115 175.481 176.600 -0.007 0.000 1.022 725 K CA -0.055 56.228 56.287 -0.007 0.000 1.045 725 K CB 1.469 33.965 32.500 -0.007 0.000 1.227 725 K HN 0.146 nan 8.250 nan 0.000 0.516 726 D N 0.000 120.396 120.400 -0.006 0.000 6.856 726 D HA 0.000 4.640 4.640 0.001 0.000 0.175 726 D CA 0.000 nan 54.000 nan 0.000 0.868 726 D CB 0.000 nan 40.800 nan 0.000 0.688 726 D HN 0.000 nan 8.370 nan 0.000 0.683