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 1kq7_1_B DATA FIRST_RESID 1 DATA SEQUENCE MNTVRSEKDS MGAIDVPADK LWGAQTQRSL EHFRISTEKM PTSLIHALAL DATA SEQUENCE TKRAAAKVNE DLGLLSEEKA SAIRQAADEV LAGQHDDEFP LAIWQTGSGT DATA SEQUENCE QSNMNMNEVL ANRASELLGG VRGMERKVHP NDDVNKSQSS NDVFPTAMHV DATA SEQUENCE AALLALRKQL IPQLKTLTQT LNEKSRAFAD IVKIGRTHLQ DATPLTLGQE DATA SEQUENCE ISGWVAMLEH NLKHIEYSLP HVAELALGGT AVGTGLNTHP EYARRVADEL DATA SEQUENCE AVITCAPFVT APNKFEALAT CDALVQAHGA LKGLAASLMK IANDVRWLAS DATA SEQUENCE GPRCGIGEIS IPENQPXXXX MPGKVNPTQC EALTMLCCQV MGNDVAINMG DATA SEQUENCE GASGNFELNV FRPMVIHNFL QSVRLLADGM ESFNKHCAVG IEPNRERINQ DATA SEQUENCE LLNESLMLVT ALNTHIGYDK AAEIAKKAHK EGLTLKAAAL ALGYLSEAEF DATA SEQUENCE DSWVRPEQM VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.284 176.300 -0.027 0.000 1.140 1 M CA 0.000 55.281 55.300 -0.032 0.000 0.988 1 M CB 0.000 32.572 32.600 -0.047 0.000 1.302 2 N N 0.373 119.062 118.700 -0.019 0.000 2.309 2 N HA -0.033 4.707 4.740 -0.000 0.000 0.182 2 N C 0.656 176.154 175.510 -0.020 0.000 1.018 2 N CA 0.930 53.971 53.050 -0.014 0.000 0.876 2 N CB 0.245 38.726 38.487 -0.010 0.000 0.972 2 N HN 0.643 nan 8.380 nan 0.000 0.434 3 T N 1.465 116.003 114.554 -0.027 0.000 2.916 3 T HA 0.312 4.662 4.350 -0.000 0.000 0.303 3 T C -0.092 174.582 174.700 -0.043 0.000 1.025 3 T CA -0.463 61.618 62.100 -0.031 0.000 1.142 3 T CB 0.320 69.169 68.868 -0.033 0.000 0.947 3 T HN 0.009 nan 8.240 nan 0.000 0.544 4 V N 3.868 123.759 119.914 -0.039 0.000 2.962 4 V HA 0.825 4.945 4.120 -0.000 0.000 0.313 4 V C -0.324 175.743 176.094 -0.045 0.000 1.099 4 V CA -1.462 60.809 62.300 -0.048 0.000 0.971 4 V CB 1.818 33.624 31.823 -0.029 0.000 1.028 4 V HN 1.062 nan 8.190 nan 0.000 0.430 5 R N 1.369 121.834 120.500 -0.058 0.000 2.596 5 R HA 0.771 5.111 4.340 -0.000 0.000 0.267 5 R C -0.178 176.102 176.300 -0.033 0.000 1.026 5 R CA -0.375 55.695 56.100 -0.049 0.000 1.087 5 R CB 1.601 31.863 30.300 -0.064 0.000 1.132 5 R HN 0.720 nan 8.270 nan 0.000 0.531 6 S N 0.470 116.155 115.700 -0.025 0.000 2.512 6 S HA 0.158 4.628 4.470 -0.000 0.000 0.291 6 S C -0.753 173.841 174.600 -0.011 0.000 1.151 6 S CA -0.676 57.517 58.200 -0.012 0.000 1.120 6 S CB 0.144 63.338 63.200 -0.009 0.000 1.029 6 S HN 0.587 nan 8.310 nan 0.000 0.485 7 E N 2.621 122.819 120.200 -0.004 0.000 2.250 7 E HA 0.507 4.857 4.350 -0.000 0.000 0.265 7 E C -0.467 176.140 176.600 0.013 0.000 1.033 7 E CA -0.659 55.741 56.400 -0.000 0.000 0.888 7 E CB 1.378 31.082 29.700 0.007 0.000 1.151 7 E HN 0.694 nan 8.360 nan 0.000 0.412 8 K N 0.197 120.603 120.400 0.009 0.000 2.546 8 K HA 0.344 4.664 4.320 -0.000 0.000 0.264 8 K C -1.587 175.022 176.600 0.015 0.000 0.937 8 K CA -0.869 55.428 56.287 0.016 0.000 0.833 8 K CB 1.600 34.106 32.500 0.010 0.000 1.378 8 K HN 0.377 nan 8.250 nan 0.000 0.432 9 D N 0.150 120.563 120.400 0.023 0.000 2.627 9 D HA 0.176 4.816 4.640 -0.000 0.000 0.259 9 D C 0.838 177.149 176.300 0.017 0.000 1.164 9 D CA -0.435 53.577 54.000 0.021 0.000 1.087 9 D CB 0.663 41.480 40.800 0.029 0.000 1.217 9 D HN 0.465 nan 8.370 nan 0.000 0.630 10 S N -1.248 114.462 115.700 0.016 0.000 2.493 10 S HA -0.205 4.265 4.470 -0.000 0.000 0.243 10 S C 1.556 176.163 174.600 0.012 0.000 0.991 10 S CA 0.796 59.003 58.200 0.013 0.000 0.957 10 S CB -0.575 62.631 63.200 0.010 0.000 0.756 10 S HN 0.530 nan 8.310 nan 0.000 0.521 11 M N 0.711 120.321 119.600 0.017 0.000 2.414 11 M HA 0.347 4.827 4.480 -0.000 0.000 0.251 11 M C 0.747 177.060 176.300 0.021 0.000 1.116 11 M CA 0.638 55.948 55.300 0.018 0.000 1.056 11 M CB 0.644 33.257 32.600 0.021 0.000 1.388 11 M HN 0.569 nan 8.290 nan 0.000 0.487 12 G N 0.255 109.068 108.800 0.022 0.000 2.357 12 G HA2 0.326 4.286 3.960 -0.000 0.000 0.289 12 G HA3 0.326 4.286 3.960 -0.000 0.000 0.289 12 G C -1.857 173.056 174.900 0.023 0.000 1.302 12 G CA -0.484 44.629 45.100 0.021 0.000 0.936 12 G HN 0.353 nan 8.290 nan 0.000 0.513 13 A N -0.514 122.318 122.820 0.020 0.000 2.306 13 A HA 0.849 5.169 4.320 -0.000 0.000 0.314 13 A C -0.236 177.364 177.584 0.027 0.000 1.164 13 A CA -0.305 51.744 52.037 0.020 0.000 0.822 13 A CB 0.925 19.932 19.000 0.012 0.000 1.130 13 A HN 1.756 nan 8.150 nan 0.000 0.496 14 I N 1.111 121.701 120.570 0.033 0.000 2.686 14 I HA 0.303 4.473 4.170 -0.000 0.000 0.295 14 I C -1.380 174.762 176.117 0.041 0.000 1.114 14 I CA -0.838 60.487 61.300 0.042 0.000 1.038 14 I CB 2.060 40.097 38.000 0.062 0.000 1.238 14 I HN 0.548 nan 8.210 nan 0.000 0.420 15 D N 6.626 127.048 120.400 0.036 0.000 2.346 15 D HA 0.176 4.816 4.640 -0.000 0.000 0.260 15 D C -0.319 176.009 176.300 0.047 0.000 1.252 15 D CA 0.390 54.407 54.000 0.027 0.000 0.895 15 D CB 1.542 42.352 40.800 0.017 0.000 1.097 15 D HN 0.179 nan 8.370 nan 0.000 0.489 16 V N 4.249 124.177 119.914 0.023 0.000 2.547 16 V HA 0.417 4.537 4.120 -0.000 0.000 0.299 16 V C -2.494 173.539 176.094 -0.102 0.000 1.040 16 V CA -2.483 59.821 62.300 0.007 0.000 0.913 16 V CB 2.094 33.908 31.823 -0.016 0.000 0.992 16 V HN 0.288 nan 8.190 nan 0.000 0.449 17 P HA 0.131 nan 4.420 nan 0.000 0.263 17 P C 0.381 177.534 177.300 -0.245 0.000 1.195 17 P CA 0.437 63.421 63.100 -0.195 0.000 0.762 17 P CB 0.886 32.442 31.700 -0.240 0.000 0.799 18 A N 4.331 127.056 122.820 -0.158 0.000 2.076 18 A HA -0.189 4.131 4.320 -0.000 0.000 0.220 18 A C 1.461 178.946 177.584 -0.165 0.000 1.160 18 A CA 1.807 53.758 52.037 -0.143 0.000 0.653 18 A CB -0.847 18.098 19.000 -0.093 0.000 0.801 18 A HN 0.636 nan 8.150 nan 0.000 0.455 19 D N -1.378 118.910 120.400 -0.185 0.000 2.325 19 D HA 0.067 4.707 4.640 -0.000 0.000 0.225 19 D C -0.087 176.058 176.300 -0.258 0.000 1.096 19 D CA 0.111 54.006 54.000 -0.175 0.000 0.844 19 D CB 0.181 40.907 40.800 -0.122 0.000 0.925 19 D HN 0.070 nan 8.370 nan 0.000 0.513 20 K N 0.337 120.493 120.400 -0.408 0.000 2.267 20 K HA 0.297 4.617 4.320 -0.000 0.000 0.246 20 K C 0.538 176.843 176.600 -0.491 0.000 0.954 20 K CA -0.926 54.995 56.287 -0.611 0.000 0.824 20 K CB 2.323 34.021 32.500 -1.337 0.000 1.167 20 K HN -0.102 nan 8.250 nan 0.000 0.431 21 L N 0.362 121.350 121.223 -0.391 0.000 2.529 21 L HA 0.123 4.463 4.340 -0.000 0.000 0.223 21 L C 0.414 177.198 176.870 -0.143 0.000 1.113 21 L CA 0.405 55.094 54.840 -0.253 0.000 0.861 21 L CB -0.471 41.430 42.059 -0.263 0.000 1.012 21 L HN 0.606 nan 8.230 nan 0.000 0.461 22 W N -0.370 120.835 121.300 -0.158 0.000 2.093 22 W HA 0.577 5.237 4.660 -0.000 0.000 0.352 22 W C 0.742 177.215 176.519 -0.076 0.000 1.294 22 W CA -0.774 56.496 57.345 -0.126 0.000 1.290 22 W CB -0.357 29.027 29.460 -0.128 0.000 1.149 22 W HN -0.034 nan 8.180 nan 0.000 0.606 23 G N -0.177 108.808 108.800 0.309 0.000 2.890 23 G HA2 0.450 4.410 3.960 -0.000 0.000 0.189 23 G HA3 0.450 4.410 3.960 -0.000 0.000 0.189 23 G C 0.677 175.715 174.900 0.231 0.000 1.342 23 G CA -0.454 44.757 45.100 0.185 0.000 1.026 23 G HN 0.971 nan 8.290 nan 0.000 0.579 24 A N -1.112 121.783 122.820 0.125 0.000 1.933 24 A HA -0.047 4.273 4.320 -0.000 0.000 0.218 24 A C 2.248 179.895 177.584 0.105 0.000 1.175 24 A CA 2.022 54.124 52.037 0.108 0.000 0.628 24 A CB -0.546 18.492 19.000 0.064 0.000 0.814 24 A HN 0.614 nan 8.150 nan 0.000 0.444 25 Q N -1.127 118.723 119.800 0.083 0.000 2.083 25 Q HA -0.091 4.249 4.340 -0.000 0.000 0.198 25 Q C 2.076 178.095 176.000 0.033 0.000 0.969 25 Q CA 1.697 57.535 55.803 0.059 0.000 0.838 25 Q CB -0.331 28.432 28.738 0.041 0.000 0.900 25 Q HN 0.634 nan 8.270 nan 0.000 0.436 26 T N 0.978 115.534 114.554 0.003 0.000 2.833 26 T HA -0.131 4.219 4.350 -0.000 0.000 0.269 26 T C 1.744 176.298 174.700 -0.243 0.000 1.054 26 T CA 0.861 62.860 62.100 -0.167 0.000 1.135 26 T CB -0.008 68.686 68.868 -0.290 0.000 0.869 26 T HN 0.157 nan 8.240 nan 0.000 0.466 27 Q N 0.659 120.442 119.800 -0.029 0.000 2.137 27 Q HA 0.092 4.432 4.340 -0.000 0.000 0.198 27 Q C 2.448 178.489 176.000 0.069 0.000 0.960 27 Q CA 0.926 56.776 55.803 0.078 0.000 0.847 27 Q CB -0.142 28.767 28.738 0.285 0.000 0.915 27 Q HN 0.436 nan 8.270 nan 0.000 0.448 28 R N -0.234 120.325 120.500 0.099 0.000 2.092 28 R HA -0.042 4.298 4.340 -0.000 0.000 0.231 28 R C 2.224 178.681 176.300 0.261 0.000 1.119 28 R CA 1.362 57.562 56.100 0.167 0.000 0.970 28 R CB 0.168 30.572 30.300 0.173 0.000 0.864 28 R HN 0.073 nan 8.270 nan 0.000 0.440 29 S N 1.057 116.865 115.700 0.180 0.000 2.368 29 S HA -0.131 4.339 4.470 -0.000 0.000 0.224 29 S C 1.696 176.442 174.600 0.243 0.000 1.029 29 S CA 0.834 59.190 58.200 0.260 0.000 0.988 29 S CB -0.250 63.001 63.200 0.084 0.000 0.838 29 S HN 0.225 nan 8.310 nan 0.000 0.462 30 L N 2.088 123.346 121.223 0.059 0.000 2.081 30 L HA -0.132 4.208 4.340 -0.000 0.000 0.212 30 L C 1.862 178.751 176.870 0.031 0.000 1.080 30 L CA 1.794 56.639 54.840 0.008 0.000 0.754 30 L CB -0.511 41.493 42.059 -0.091 0.000 0.893 30 L HN 0.301 nan 8.230 nan 0.000 0.433 31 E N -2.460 117.735 120.200 -0.008 0.000 2.442 31 E HA -0.081 4.269 4.350 -0.000 0.000 0.195 31 E C 1.321 177.772 176.600 -0.249 0.000 1.030 31 E CA 0.548 56.870 56.400 -0.129 0.000 0.869 31 E CB 0.039 29.622 29.700 -0.195 0.000 0.857 31 E HN 0.657 nan 8.360 nan 0.000 0.505 32 H N -1.630 117.421 119.070 -0.031 0.000 2.648 32 H HA 0.172 4.728 4.556 -0.000 0.000 0.265 32 H C -0.162 174.864 175.328 -0.504 0.000 0.961 32 H CA 0.216 56.121 56.048 -0.238 0.000 1.185 32 H CB 0.552 30.162 29.762 -0.253 0.000 1.449 32 H HN -0.009 nan 8.280 nan 0.000 0.523 33 F N 0.672 120.673 119.950 0.086 0.000 2.623 33 F HA 0.321 4.848 4.527 -0.000 0.000 0.361 33 F C -0.007 175.826 175.800 0.055 0.000 1.469 33 F CA -0.580 57.460 58.000 0.067 0.000 1.126 33 F CB 0.521 39.553 39.000 0.054 0.000 1.221 33 F HN -0.197 nan 8.300 nan 0.000 0.536 34 R N 2.084 122.658 120.500 0.124 0.000 2.891 34 R HA 0.475 4.815 4.340 -0.000 0.000 0.248 34 R C -0.713 175.653 176.300 0.111 0.000 1.439 34 R CA 0.079 56.239 56.100 0.100 0.000 1.288 34 R CB 0.115 30.440 30.300 0.041 0.000 1.212 34 R HN 0.361 nan 8.270 nan 0.000 0.605 35 I N 1.065 121.748 120.570 0.189 0.000 2.478 35 I HA 0.154 4.324 4.170 -0.000 0.000 0.287 35 I C 0.407 176.684 176.117 0.268 0.000 1.042 35 I CA -0.475 60.938 61.300 0.188 0.000 1.067 35 I CB 1.806 39.941 38.000 0.224 0.000 1.233 35 I HN 0.556 nan 8.210 nan 0.000 0.431 36 S N 3.796 119.582 115.700 0.145 0.000 3.307 36 S HA -0.244 4.226 4.470 -0.000 0.000 0.634 36 S C 1.026 175.733 174.600 0.177 0.000 2.711 36 S CA 1.461 59.760 58.200 0.165 0.000 2.940 36 S CB -0.579 62.760 63.200 0.232 0.000 0.331 36 S HN 1.014 nan 8.310 nan 0.000 1.766 37 T N -1.309 113.347 114.554 0.171 0.000 3.010 37 T HA 0.423 4.773 4.350 -0.000 0.000 0.257 37 T C 0.062 174.821 174.700 0.099 0.000 1.020 37 T CA 0.547 62.718 62.100 0.119 0.000 0.938 37 T CB -0.032 68.892 68.868 0.093 0.000 1.049 37 T HN 0.532 nan 8.240 nan 0.000 0.522 38 E N 2.582 122.853 120.200 0.118 0.000 2.324 38 E HA 0.377 4.727 4.350 -0.000 0.000 0.271 38 E C -0.046 176.481 176.600 -0.121 0.000 1.028 38 E CA 0.023 56.414 56.400 -0.014 0.000 0.890 38 E CB 0.528 30.137 29.700 -0.152 0.000 1.004 38 E HN 0.236 nan 8.360 nan 0.000 0.431 39 K N 2.219 122.578 120.400 -0.069 0.000 2.295 39 K HA 0.422 4.742 4.320 -0.000 0.000 0.239 39 K C 0.132 176.691 176.600 -0.067 0.000 0.991 39 K CA -1.031 55.213 56.287 -0.071 0.000 0.845 39 K CB 0.991 33.489 32.500 -0.003 0.000 1.197 39 K HN 0.424 nan 8.250 nan 0.000 0.441 40 M N 3.404 122.966 119.600 -0.063 0.000 2.260 40 M HA 0.067 4.547 4.480 -0.000 0.000 0.348 40 M C -1.823 174.457 176.300 -0.032 0.000 1.342 40 M CA -1.255 54.018 55.300 -0.045 0.000 1.040 40 M CB -0.624 31.952 32.600 -0.040 0.000 1.810 40 M HN 0.241 nan 8.290 nan 0.000 0.453 41 P HA 0.078 nan 4.420 nan 0.000 0.272 41 P C 0.699 177.937 177.300 -0.104 0.000 1.223 41 P CA 0.011 63.088 63.100 -0.040 0.000 0.784 41 P CB 0.086 31.772 31.700 -0.024 0.000 0.923 42 T N -1.428 113.047 114.554 -0.132 0.000 2.759 42 T HA -0.185 4.165 4.350 -0.000 0.000 0.269 42 T C 1.817 176.278 174.700 -0.397 0.000 1.042 42 T CA 1.776 63.721 62.100 -0.259 0.000 1.140 42 T CB -1.307 67.399 68.868 -0.270 0.000 0.864 42 T HN 0.499 nan 8.240 nan 0.000 0.455 43 S N 1.986 117.529 115.700 -0.263 0.000 2.400 43 S HA -0.006 4.464 4.470 -0.000 0.000 0.232 43 S C 2.019 176.539 174.600 -0.133 0.000 1.025 43 S CA 0.914 58.998 58.200 -0.194 0.000 0.993 43 S CB -0.764 62.380 63.200 -0.093 0.000 0.808 43 S HN 0.453 nan 8.310 nan 0.000 0.478 44 L N 0.715 121.856 121.223 -0.137 0.000 2.209 44 L HA 0.128 4.468 4.340 -0.000 0.000 0.207 44 L C 2.073 178.835 176.870 -0.180 0.000 1.094 44 L CA 1.242 55.992 54.840 -0.149 0.000 0.790 44 L CB -0.779 41.192 42.059 -0.147 0.000 0.932 44 L HN 0.240 nan 8.230 nan 0.000 0.447 45 I N 0.236 120.683 120.570 -0.205 0.000 2.179 45 I HA -0.293 3.877 4.170 -0.000 0.000 0.242 45 I C 2.524 178.580 176.117 -0.100 0.000 1.088 45 I CA 1.412 62.544 61.300 -0.280 0.000 1.357 45 I CB -1.442 36.307 38.000 -0.418 0.000 1.051 45 I HN 0.411 nan 8.210 nan 0.000 0.409 46 H N 0.327 119.296 119.070 -0.169 0.000 2.421 46 H HA -0.056 4.500 4.556 -0.000 0.000 0.298 46 H C 2.178 177.444 175.328 -0.103 0.000 1.087 46 H CA 0.877 56.863 56.048 -0.104 0.000 1.330 46 H CB 0.293 30.020 29.762 -0.059 0.000 1.388 46 H HN 0.341 nan 8.280 nan 0.000 0.526 47 A N 0.930 123.751 122.820 0.002 0.000 1.969 47 A HA -0.080 4.240 4.320 -0.000 0.000 0.218 47 A C 2.361 179.878 177.584 -0.112 0.000 1.169 47 A CA 0.734 52.730 52.037 -0.069 0.000 0.635 47 A CB -0.487 18.452 19.000 -0.102 0.000 0.810 47 A HN 0.261 nan 8.150 nan 0.000 0.445 48 L N -0.948 120.200 121.223 -0.126 0.000 2.072 48 L HA -0.127 4.213 4.340 -0.000 0.000 0.205 48 L C 3.097 179.925 176.870 -0.069 0.000 1.079 48 L CA 0.910 55.679 54.840 -0.119 0.000 0.752 48 L CB -0.440 41.537 42.059 -0.137 0.000 0.906 48 L HN 0.429 nan 8.230 nan 0.000 0.436 49 A N 0.160 122.946 122.820 -0.057 0.000 1.883 49 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 49 A C 2.210 179.773 177.584 -0.035 0.000 1.186 49 A CA 1.531 53.553 52.037 -0.025 0.000 0.624 49 A CB -0.805 18.176 19.000 -0.031 0.000 0.822 49 A HN 0.355 nan 8.150 nan 0.000 0.444 50 L N -0.635 120.556 121.223 -0.054 0.000 2.079 50 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 50 L C 2.778 179.596 176.870 -0.086 0.000 1.081 50 L CA 1.737 56.536 54.840 -0.068 0.000 0.752 50 L CB -0.769 41.243 42.059 -0.078 0.000 0.896 50 L HN 0.385 nan 8.230 nan 0.000 0.433 51 T N -0.891 113.606 114.554 -0.096 0.000 2.737 51 T HA -0.122 4.228 4.350 -0.000 0.000 0.265 51 T C 1.931 176.599 174.700 -0.052 0.000 1.038 51 T CA 0.873 62.913 62.100 -0.100 0.000 1.144 51 T CB -0.020 68.785 68.868 -0.104 0.000 0.866 51 T HN 0.156 nan 8.240 nan 0.000 0.434 52 K N 1.165 121.550 120.400 -0.025 0.000 2.097 52 K HA 0.017 4.337 4.320 -0.000 0.000 0.206 52 K C 2.364 178.968 176.600 0.006 0.000 1.049 52 K CA 0.930 57.222 56.287 0.008 0.000 0.933 52 K CB -0.327 32.188 32.500 0.025 0.000 0.717 52 K HN 0.279 nan 8.250 nan 0.000 0.442 53 R N 0.715 121.209 120.500 -0.010 0.000 2.073 53 R HA -0.079 4.261 4.340 -0.000 0.000 0.234 53 R C 2.221 178.509 176.300 -0.020 0.000 1.134 53 R CA 1.411 57.505 56.100 -0.010 0.000 0.952 53 R CB -0.203 30.086 30.300 -0.020 0.000 0.850 53 R HN 0.165 nan 8.270 nan 0.000 0.433 54 A N 0.627 123.421 122.820 -0.044 0.000 1.933 54 A HA -0.114 4.206 4.320 -0.000 0.000 0.218 54 A C 2.308 179.860 177.584 -0.052 0.000 1.175 54 A CA 1.706 53.705 52.037 -0.064 0.000 0.628 54 A CB -0.676 18.260 19.000 -0.107 0.000 0.814 54 A HN 0.543 nan 8.150 nan 0.000 0.444 55 A N -0.153 122.655 122.820 -0.020 0.000 1.898 55 A HA 0.189 4.509 4.320 -0.000 0.000 0.216 55 A C 2.508 180.137 177.584 0.075 0.000 1.181 55 A CA 1.993 54.062 52.037 0.054 0.000 0.620 55 A CB -1.007 18.057 19.000 0.107 0.000 0.819 55 A HN 1.021 nan 8.150 nan 0.000 0.442 56 A N 0.150 122.994 122.820 0.041 0.000 1.865 56 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 56 A C 2.083 179.681 177.584 0.024 0.000 1.191 56 A CA 2.487 54.544 52.037 0.034 0.000 0.623 56 A CB -0.496 18.518 19.000 0.023 0.000 0.826 56 A HN 0.465 nan 8.150 nan 0.000 0.444 57 K N -0.079 120.326 120.400 0.007 0.000 2.032 57 K HA -0.110 4.210 4.320 -0.000 0.000 0.209 57 K C 1.682 178.280 176.600 -0.003 0.000 1.048 57 K CA 2.123 58.408 56.287 -0.003 0.000 0.927 57 K CB -0.815 31.675 32.500 -0.016 0.000 0.712 57 K HN 0.201 nan 8.250 nan 0.000 0.441 58 V N 1.657 121.570 119.914 -0.001 0.000 2.307 58 V HA -0.234 3.886 4.120 -0.000 0.000 0.245 58 V C 2.051 178.175 176.094 0.050 0.000 1.045 58 V CA 2.039 64.342 62.300 0.005 0.000 1.024 58 V CB -0.702 31.097 31.823 -0.040 0.000 0.651 58 V HN 0.402 nan 8.190 nan 0.000 0.449 59 N N -0.057 118.700 118.700 0.094 0.000 2.205 59 N HA -0.205 4.535 4.740 -0.000 0.000 0.186 59 N C 1.906 177.425 175.510 0.015 0.000 1.015 59 N CA 1.600 54.690 53.050 0.066 0.000 0.862 59 N CB -0.154 38.371 38.487 0.063 0.000 0.986 59 N HN 0.674 nan 8.380 nan 0.000 0.429 60 E N 0.739 120.946 120.200 0.011 0.000 2.028 60 E HA -0.147 4.203 4.350 -0.000 0.000 0.191 60 E C 0.795 177.387 176.600 -0.014 0.000 0.988 60 E CA 1.007 57.405 56.400 -0.002 0.000 0.799 60 E CB 0.123 29.823 29.700 -0.000 0.000 0.755 60 E HN 0.189 nan 8.360 nan 0.000 0.447 61 D N 0.540 120.929 120.400 -0.018 0.000 2.149 61 D HA -0.155 4.485 4.640 -0.000 0.000 0.198 61 D C 1.460 177.727 176.300 -0.055 0.000 0.990 61 D CA 0.926 54.908 54.000 -0.031 0.000 0.839 61 D CB -0.065 40.715 40.800 -0.034 0.000 0.948 61 D HN 0.272 nan 8.370 nan 0.000 0.460 62 L N 0.092 121.268 121.223 -0.077 0.000 2.737 62 L HA 0.236 4.576 4.340 -0.000 0.000 0.236 62 L C 1.140 177.965 176.870 -0.075 0.000 1.219 62 L CA -0.235 54.517 54.840 -0.147 0.000 1.021 62 L CB -0.284 41.610 42.059 -0.276 0.000 1.291 62 L HN 0.001 nan 8.230 nan 0.000 0.470 63 G N 0.728 109.505 108.800 -0.038 0.000 2.416 63 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.301 63 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.301 63 G C 0.744 175.637 174.900 -0.012 0.000 0.985 63 G CA 0.579 45.668 45.100 -0.018 0.000 0.934 63 G HN 0.493 nan 8.290 nan 0.000 0.513 64 L N -1.616 119.598 121.223 -0.015 0.000 2.590 64 L HA 0.432 4.772 4.340 -0.000 0.000 0.227 64 L C 0.765 177.626 176.870 -0.015 0.000 1.099 64 L CA -0.052 54.780 54.840 -0.014 0.000 0.872 64 L CB 0.278 42.325 42.059 -0.020 0.000 1.088 64 L HN 0.279 nan 8.230 nan 0.000 0.479 65 L N 0.676 121.893 121.223 -0.010 0.000 2.470 65 L HA 0.333 4.673 4.340 -0.000 0.000 0.268 65 L C -0.090 176.776 176.870 -0.008 0.000 0.964 65 L CA -0.174 54.661 54.840 -0.009 0.000 0.839 65 L CB 2.224 44.283 42.059 0.000 0.000 1.276 65 L HN 0.068 nan 8.230 nan 0.000 0.403 66 S N 2.229 117.922 115.700 -0.011 0.000 2.552 66 S HA 0.009 4.479 4.470 -0.000 0.000 0.289 66 S C 1.114 175.712 174.600 -0.003 0.000 1.304 66 S CA 0.264 58.459 58.200 -0.008 0.000 1.063 66 S CB 0.951 64.144 63.200 -0.011 0.000 0.848 66 S HN 0.793 nan 8.310 nan 0.000 0.499 67 E N 1.933 122.132 120.200 -0.002 0.000 2.065 67 E HA -0.305 4.045 4.350 -0.000 0.000 0.201 67 E C 1.376 177.978 176.600 0.003 0.000 1.016 67 E CA 2.037 58.438 56.400 0.000 0.000 0.818 67 E CB -0.267 29.433 29.700 -0.000 0.000 0.749 67 E HN 0.856 nan 8.360 nan 0.000 0.453 68 E N 0.494 120.695 120.200 0.003 0.000 2.118 68 E HA -0.180 4.170 4.350 -0.000 0.000 0.195 68 E C 1.917 178.522 176.600 0.008 0.000 0.992 68 E CA 1.387 57.790 56.400 0.005 0.000 0.804 68 E CB -0.140 29.562 29.700 0.004 0.000 0.741 68 E HN 0.220 nan 8.360 nan 0.000 0.458 69 K N -0.360 120.044 120.400 0.007 0.000 2.243 69 K HA 0.086 4.406 4.320 -0.000 0.000 0.201 69 K C 1.911 178.520 176.600 0.014 0.000 1.051 69 K CA 0.820 57.113 56.287 0.011 0.000 0.970 69 K CB 0.043 32.546 32.500 0.005 0.000 0.755 69 K HN 0.136 nan 8.250 nan 0.000 0.465 70 A N 0.297 123.124 122.820 0.011 0.000 1.897 70 A HA -0.049 4.271 4.320 -0.000 0.000 0.215 70 A C 2.042 179.634 177.584 0.014 0.000 1.181 70 A CA 1.560 53.605 52.037 0.013 0.000 0.620 70 A CB -0.406 18.599 19.000 0.009 0.000 0.821 70 A HN 0.273 nan 8.150 nan 0.000 0.443 71 S N -0.005 115.702 115.700 0.011 0.000 2.423 71 S HA 0.042 4.512 4.470 -0.000 0.000 0.231 71 S C 2.144 176.753 174.600 0.016 0.000 1.014 71 S CA 0.947 59.154 58.200 0.011 0.000 0.965 71 S CB -0.270 62.935 63.200 0.009 0.000 0.785 71 S HN 0.747 nan 8.310 nan 0.000 0.495 72 A N 1.486 124.316 122.820 0.018 0.000 1.897 72 A HA 0.088 4.408 4.320 -0.000 0.000 0.215 72 A C 1.997 179.597 177.584 0.027 0.000 1.181 72 A CA 0.870 52.920 52.037 0.022 0.000 0.620 72 A CB -0.531 18.483 19.000 0.022 0.000 0.821 72 A HN 0.475 nan 8.150 nan 0.000 0.443 73 I N -1.101 119.485 120.570 0.028 0.000 2.439 73 I HA -0.176 3.994 4.170 -0.000 0.000 0.251 73 I C 2.647 178.783 176.117 0.031 0.000 1.139 73 I CA 1.401 62.721 61.300 0.033 0.000 1.438 73 I CB -0.225 37.795 38.000 0.034 0.000 1.085 73 I HN 0.341 nan 8.210 nan 0.000 0.427 74 R N 0.902 121.416 120.500 0.023 0.000 2.075 74 R HA -0.197 4.143 4.340 -0.000 0.000 0.232 74 R C 2.351 178.663 176.300 0.020 0.000 1.126 74 R CA 1.467 57.577 56.100 0.017 0.000 0.963 74 R CB -0.171 30.136 30.300 0.011 0.000 0.858 74 R HN 0.304 nan 8.270 nan 0.000 0.435 75 Q N -0.553 119.261 119.800 0.023 0.000 2.167 75 Q HA -0.096 4.244 4.340 -0.000 0.000 0.202 75 Q C 1.802 177.829 176.000 0.045 0.000 0.970 75 Q CA 1.460 57.279 55.803 0.027 0.000 0.855 75 Q CB -0.017 28.736 28.738 0.025 0.000 0.911 75 Q HN 0.488 nan 8.270 nan 0.000 0.438 76 A N 0.322 123.173 122.820 0.053 0.000 1.929 76 A HA -0.043 4.277 4.320 -0.000 0.000 0.216 76 A C 2.189 179.833 177.584 0.100 0.000 1.176 76 A CA 1.351 53.436 52.037 0.080 0.000 0.628 76 A CB -0.706 18.327 19.000 0.055 0.000 0.816 76 A HN 0.499 nan 8.150 nan 0.000 0.444 77 A N 0.143 123.002 122.820 0.066 0.000 1.873 77 A HA -0.179 4.141 4.320 -0.000 0.000 0.215 77 A C 1.779 179.377 177.584 0.024 0.000 1.186 77 A CA 1.657 53.725 52.037 0.053 0.000 0.616 77 A CB -0.577 18.438 19.000 0.025 0.000 0.823 77 A HN 0.493 nan 8.150 nan 0.000 0.442 78 D N -0.688 119.719 120.400 0.011 0.000 2.182 78 D HA -0.162 4.478 4.640 -0.000 0.000 0.201 78 D C 1.809 178.100 176.300 -0.015 0.000 0.986 78 D CA 1.389 55.380 54.000 -0.015 0.000 0.847 78 D CB -0.168 40.628 40.800 -0.007 0.000 0.942 78 D HN 0.690 nan 8.370 nan 0.000 0.467 79 E N 0.322 120.543 120.200 0.034 0.000 2.077 79 E HA -0.130 4.220 4.350 -0.000 0.000 0.193 79 E C 2.232 178.840 176.600 0.013 0.000 0.989 79 E CA 0.573 56.992 56.400 0.033 0.000 0.800 79 E CB 0.289 30.077 29.700 0.147 0.000 0.746 79 E HN 0.016 nan 8.360 nan 0.000 0.452 80 V N 1.112 121.096 119.914 0.116 0.000 2.358 80 V HA -0.238 3.882 4.120 -0.000 0.000 0.246 80 V C 2.270 178.273 176.094 -0.151 0.000 1.047 80 V CA 1.307 63.681 62.300 0.123 0.000 1.035 80 V CB -0.381 31.570 31.823 0.214 0.000 0.658 80 V HN 0.324 nan 8.190 nan 0.000 0.452 81 L N 0.247 121.320 121.223 -0.251 0.000 2.456 81 L HA -0.044 4.296 4.340 -0.000 0.000 0.224 81 L C 2.193 178.879 176.870 -0.306 0.000 1.148 81 L CA 1.060 55.611 54.840 -0.481 0.000 0.825 81 L CB -0.498 41.405 42.059 -0.259 0.000 0.937 81 L HN 0.354 nan 8.230 nan 0.000 0.450 82 A N -0.621 122.107 122.820 -0.153 0.000 2.345 82 A HA 0.415 4.735 4.320 -0.000 0.000 0.225 82 A C 1.608 179.173 177.584 -0.033 0.000 1.243 82 A CA 0.496 52.489 52.037 -0.073 0.000 0.875 82 A CB -0.143 18.822 19.000 -0.058 0.000 0.929 82 A HN 0.424 nan 8.150 nan 0.000 0.502 83 G N -0.474 108.320 108.800 -0.010 0.000 2.160 83 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.244 83 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.244 83 G C 0.575 175.479 174.900 0.007 0.000 1.022 83 G CA 0.609 45.752 45.100 0.072 0.000 0.741 83 G HN 0.576 nan 8.290 nan 0.000 0.508 84 Q N -1.077 118.663 119.800 -0.100 0.000 2.376 84 Q HA 0.097 4.437 4.340 -0.000 0.000 0.206 84 Q C 0.899 176.681 176.000 -0.363 0.000 0.921 84 Q CA 0.651 56.286 55.803 -0.279 0.000 0.911 84 Q CB 0.331 28.793 28.738 -0.460 0.000 1.032 84 Q HN 0.721 nan 8.270 nan 0.000 0.510 85 H N 0.101 119.254 119.070 0.139 0.000 2.505 85 H HA 0.160 4.716 4.556 -0.000 0.000 0.260 85 H C 0.042 175.530 175.328 0.267 0.000 1.168 85 H CA -0.266 55.874 56.048 0.153 0.000 0.945 85 H CB 0.575 30.416 29.762 0.132 0.000 1.800 85 H HN 0.188 nan 8.280 nan 0.000 0.586 86 D N 0.743 121.338 120.400 0.324 0.000 2.218 86 D HA -0.134 4.506 4.640 -0.000 0.000 0.204 86 D C 1.515 178.009 176.300 0.322 0.000 0.976 86 D CA 1.059 55.270 54.000 0.351 0.000 0.853 86 D CB 0.172 41.104 40.800 0.219 0.000 0.939 86 D HN 0.613 nan 8.370 nan 0.000 0.481 87 D N 0.449 120.986 120.400 0.229 0.000 2.349 87 D HA -0.089 4.551 4.640 -0.000 0.000 0.224 87 D C 0.839 177.271 176.300 0.219 0.000 1.029 87 D CA 0.281 54.401 54.000 0.199 0.000 0.879 87 D CB 0.013 40.903 40.800 0.149 0.000 0.906 87 D HN 0.099 nan 8.370 nan 0.000 0.528 88 E N 0.067 120.329 120.200 0.103 0.000 2.465 88 E HA 0.072 4.422 4.350 -0.000 0.000 0.191 88 E C -0.389 175.958 176.600 -0.422 0.000 1.053 88 E CA -0.056 56.291 56.400 -0.087 0.000 0.869 88 E CB -0.047 29.414 29.700 -0.398 0.000 0.977 88 E HN 0.374 nan 8.360 nan 0.000 0.483 89 F N 1.537 121.583 119.950 0.161 0.000 2.564 89 F HA 0.261 4.788 4.527 0.000 0.000 0.361 89 F C -1.454 174.310 175.800 -0.059 0.000 1.161 89 F CA -1.804 56.207 58.000 0.019 0.000 1.198 89 F CB 1.479 40.504 39.000 0.043 0.000 1.424 89 F HN -0.137 nan 8.300 nan 0.000 0.517 90 P HA 0.022 nan 4.420 nan 0.000 0.230 90 P C 0.355 177.580 177.300 -0.124 0.000 1.168 90 P CA 0.515 63.534 63.100 -0.136 0.000 0.793 90 P CB 0.817 32.320 31.700 -0.329 0.000 0.851 91 L N 0.736 121.867 121.223 -0.153 0.000 2.578 91 L HA 0.092 4.432 4.340 -0.000 0.000 0.279 91 L C 1.214 178.023 176.870 -0.103 0.000 1.227 91 L CA -0.484 54.281 54.840 -0.125 0.000 0.900 91 L CB -0.146 41.833 42.059 -0.134 0.000 1.144 91 L HN 0.017 nan 8.230 nan 0.000 0.496 92 A N 4.370 127.129 122.820 -0.101 0.000 2.310 92 A HA 0.261 4.581 4.320 -0.000 0.000 0.260 92 A C 1.272 178.663 177.584 -0.321 0.000 1.112 92 A CA -0.442 51.500 52.037 -0.159 0.000 0.804 92 A CB 0.356 19.330 19.000 -0.043 0.000 1.081 92 A HN 0.702 nan 8.150 nan 0.000 0.499 93 I N -1.517 118.681 120.570 -0.621 0.000 2.252 93 I HA -0.158 4.012 4.170 -0.000 0.000 0.245 93 I C 0.666 176.331 176.117 -0.753 0.000 1.102 93 I CA 0.809 61.608 61.300 -0.834 0.000 1.385 93 I CB -1.030 36.124 38.000 -1.409 0.000 1.064 93 I HN 0.704 nan 8.210 nan 0.000 0.414 94 W N 4.278 125.517 121.300 -0.103 0.000 2.429 94 W HA 0.263 4.923 4.660 -0.000 0.000 0.431 94 W C 0.960 177.385 176.519 -0.157 0.000 1.038 94 W CA -0.612 56.685 57.345 -0.079 0.000 1.635 94 W CB -0.669 28.792 29.460 0.002 0.000 1.721 94 W HN 0.281 nan 8.180 nan 0.000 0.366 95 Q N -0.363 119.281 119.800 -0.260 0.000 3.080 95 Q HA 0.426 4.766 4.340 -0.000 0.000 0.380 95 Q C -0.180 175.485 176.000 -0.558 0.000 0.757 95 Q CA -1.136 54.188 55.803 -0.797 0.000 0.878 95 Q CB 0.615 28.900 28.738 -0.756 0.000 1.438 95 Q HN -0.059 nan 8.270 nan 0.000 0.419 96 T N -0.675 113.533 114.554 -0.576 0.000 2.888 96 T HA 0.219 4.569 4.350 -0.000 0.000 0.301 96 T C 1.220 175.715 174.700 -0.342 0.000 1.001 96 T CA 0.461 62.352 62.100 -0.349 0.000 1.147 96 T CB 0.403 69.097 68.868 -0.291 0.000 0.931 96 T HN 0.648 nan 8.240 nan 0.000 0.541 97 G N 2.749 111.379 108.800 -0.283 0.000 2.501 97 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.220 97 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.220 97 G C 1.621 176.341 174.900 -0.301 0.000 1.114 97 G CA 0.941 45.861 45.100 -0.300 0.000 0.757 97 G HN 0.905 nan 8.290 nan 0.000 0.559 98 S N -1.083 114.431 115.700 -0.310 0.000 2.524 98 S HA 0.369 4.839 4.470 -0.000 0.000 0.216 98 S C 1.753 175.981 174.600 -0.621 0.000 0.987 98 S CA 0.923 58.933 58.200 -0.316 0.000 0.909 98 S CB 0.088 63.183 63.200 -0.175 0.000 0.781 98 S HN 1.483 nan 8.310 nan 0.000 0.521 99 G N 0.913 109.253 108.800 -0.766 0.000 2.160 99 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.244 99 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.244 99 G C 0.552 175.180 174.900 -0.455 0.000 1.022 99 G CA 0.501 44.953 45.100 -1.079 0.000 0.741 99 G HN 0.472 nan 8.290 nan 0.000 0.508 100 T N 0.110 114.488 114.554 -0.293 0.000 2.746 100 T HA -0.107 4.243 4.350 -0.000 0.000 0.267 100 T C 2.371 177.011 174.700 -0.099 0.000 1.039 100 T CA 1.888 63.905 62.100 -0.139 0.000 1.142 100 T CB -0.162 68.633 68.868 -0.121 0.000 0.866 100 T HN 0.617 nan 8.240 nan 0.000 0.444 101 Q N 0.691 120.398 119.800 -0.154 0.000 2.124 101 Q HA -0.047 4.293 4.340 -0.000 0.000 0.202 101 Q C 2.605 178.569 176.000 -0.059 0.000 0.977 101 Q CA 1.296 57.027 55.803 -0.120 0.000 0.850 101 Q CB -0.186 28.430 28.738 -0.203 0.000 0.901 101 Q HN 0.349 nan 8.270 nan 0.000 0.429 102 S N 0.443 116.116 115.700 -0.045 0.000 2.461 102 S HA -0.074 4.396 4.470 -0.000 0.000 0.228 102 S C 1.534 176.204 174.600 0.116 0.000 1.005 102 S CA 0.468 58.706 58.200 0.063 0.000 0.942 102 S CB -0.179 63.100 63.200 0.132 0.000 0.776 102 S HN 0.390 nan 8.310 nan 0.000 0.514 103 N N 0.687 119.446 118.700 0.099 0.000 2.171 103 N HA -0.069 4.671 4.740 -0.000 0.000 0.184 103 N C 1.676 177.237 175.510 0.085 0.000 1.021 103 N CA 0.930 54.044 53.050 0.107 0.000 0.854 103 N CB -0.067 38.475 38.487 0.093 0.000 0.994 103 N HN 0.238 nan 8.380 nan 0.000 0.426 104 M N 1.376 121.010 119.600 0.056 0.000 2.132 104 M HA -0.111 4.369 4.480 -0.000 0.000 0.263 104 M C 1.904 178.253 176.300 0.081 0.000 1.065 104 M CA 1.039 56.371 55.300 0.054 0.000 1.122 104 M CB -1.804 30.811 32.600 0.026 0.000 1.365 104 M HN 0.213 nan 8.290 nan 0.000 0.411 105 N N 0.712 119.467 118.700 0.092 0.000 2.061 105 N HA -0.205 4.535 4.740 -0.000 0.000 0.193 105 N C 1.555 177.212 175.510 0.244 0.000 1.030 105 N CA 1.740 54.871 53.050 0.135 0.000 0.856 105 N CB -0.231 38.359 38.487 0.171 0.000 1.023 105 N HN 0.167 nan 8.380 nan 0.000 0.424 106 M N 0.603 120.382 119.600 0.298 0.000 2.156 106 M HA 0.026 4.505 4.480 -0.000 0.000 0.264 106 M C 1.414 177.830 176.300 0.193 0.000 1.067 106 M CA 1.299 56.805 55.300 0.344 0.000 1.131 106 M CB -0.671 32.055 32.600 0.210 0.000 1.368 106 M HN 0.119 nan 8.290 nan 0.000 0.416 107 N N 0.516 119.294 118.700 0.130 0.000 2.069 107 N HA -0.175 4.565 4.740 -0.000 0.000 0.191 107 N C 1.631 177.188 175.510 0.077 0.000 1.031 107 N CA 1.876 54.981 53.050 0.091 0.000 0.852 107 N CB -0.365 38.165 38.487 0.073 0.000 1.018 107 N HN 0.590 nan 8.380 nan 0.000 0.423 108 E N 0.309 120.557 120.200 0.079 0.000 2.046 108 E HA -0.053 4.297 4.350 -0.000 0.000 0.190 108 E C 2.090 178.712 176.600 0.036 0.000 0.982 108 E CA 0.648 57.085 56.400 0.061 0.000 0.800 108 E CB -0.023 29.729 29.700 0.085 0.000 0.756 108 E HN 0.032 nan 8.360 nan 0.000 0.449 109 V N 1.816 121.751 119.914 0.035 0.000 2.287 109 V HA -0.265 3.855 4.120 -0.000 0.000 0.248 109 V C 2.324 178.390 176.094 -0.047 0.000 1.053 109 V CA 1.572 63.840 62.300 -0.054 0.000 1.027 109 V CB -0.428 31.304 31.823 -0.151 0.000 0.646 109 V HN 0.268 nan 8.190 nan 0.000 0.447 110 L N -0.430 120.812 121.223 0.031 0.000 2.141 110 L HA -0.101 4.239 4.340 -0.000 0.000 0.209 110 L C 2.640 179.521 176.870 0.019 0.000 1.094 110 L CA 1.205 56.066 54.840 0.035 0.000 0.763 110 L CB -0.738 41.365 42.059 0.073 0.000 0.908 110 L HN 0.368 nan 8.230 nan 0.000 0.437 111 A N 0.865 123.698 122.820 0.022 0.000 1.832 111 A HA -0.229 4.091 4.320 -0.000 0.000 0.214 111 A C 1.985 179.566 177.584 -0.005 0.000 1.200 111 A CA 2.062 54.111 52.037 0.021 0.000 0.610 111 A CB -0.902 18.111 19.000 0.023 0.000 0.842 111 A HN 0.456 nan 8.150 nan 0.000 0.444 112 N N -1.019 117.664 118.700 -0.029 0.000 2.137 112 N HA -0.238 4.502 4.740 -0.000 0.000 0.190 112 N C 2.010 177.487 175.510 -0.055 0.000 1.017 112 N CA 1.539 54.558 53.050 -0.051 0.000 0.859 112 N CB -0.135 38.307 38.487 -0.075 0.000 1.002 112 N HN 0.410 nan 8.380 nan 0.000 0.428 113 R N 1.299 121.757 120.500 -0.071 0.000 2.066 113 R HA 0.070 4.410 4.340 -0.000 0.000 0.232 113 R C 1.991 178.281 176.300 -0.017 0.000 1.131 113 R CA 1.531 57.590 56.100 -0.069 0.000 0.955 113 R CB -0.777 29.451 30.300 -0.121 0.000 0.851 113 R HN 0.180 nan 8.270 nan 0.000 0.432 114 A N -0.601 122.218 122.820 -0.001 0.000 1.978 114 A HA -0.156 4.164 4.320 -0.000 0.000 0.220 114 A C 2.274 179.867 177.584 0.015 0.000 1.170 114 A CA 1.955 54.002 52.037 0.016 0.000 0.636 114 A CB -0.987 18.029 19.000 0.026 0.000 0.810 114 A HN 0.467 nan 8.150 nan 0.000 0.448 115 S N -0.484 115.222 115.700 0.009 0.000 2.399 115 S HA -0.163 4.307 4.470 -0.000 0.000 0.231 115 S C 1.755 176.357 174.600 0.004 0.000 1.022 115 S CA 1.521 59.727 58.200 0.010 0.000 0.983 115 S CB -0.356 62.846 63.200 0.002 0.000 0.803 115 S HN 0.689 nan 8.310 nan 0.000 0.480 116 E N -0.074 120.124 120.200 -0.003 0.000 2.358 116 E HA -0.007 4.343 4.350 -0.000 0.000 0.195 116 E C 1.480 178.084 176.600 0.006 0.000 1.010 116 E CA 0.433 56.831 56.400 -0.003 0.000 0.856 116 E CB -0.011 29.683 29.700 -0.009 0.000 0.795 116 E HN 0.376 nan 8.360 nan 0.000 0.504 117 L N 0.008 121.238 121.223 0.012 0.000 2.270 117 L HA -0.020 4.320 4.340 -0.000 0.000 0.210 117 L C 1.752 178.630 176.870 0.013 0.000 1.104 117 L CA 1.095 55.944 54.840 0.015 0.000 0.804 117 L CB 0.026 42.097 42.059 0.021 0.000 0.937 117 L HN 0.107 nan 8.230 nan 0.000 0.450 118 L N -0.979 120.252 121.223 0.013 0.000 2.653 118 L HA 0.275 4.615 4.340 -0.000 0.000 0.232 118 L C 1.491 178.367 176.870 0.010 0.000 1.169 118 L CA 0.529 55.376 54.840 0.013 0.000 0.951 118 L CB -0.629 41.440 42.059 0.017 0.000 1.181 118 L HN 0.466 nan 8.230 nan 0.000 0.460 119 G N -0.300 108.505 108.800 0.008 0.000 2.267 119 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.257 119 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.257 119 G C 0.722 175.624 174.900 0.003 0.000 0.998 119 G CA 0.026 45.129 45.100 0.005 0.000 0.620 119 G HN 0.520 nan 8.290 nan 0.000 0.529 120 G N -0.714 108.089 108.800 0.005 0.000 2.489 120 G HA2 0.695 4.655 3.960 -0.000 0.000 0.271 120 G HA3 0.695 4.655 3.960 -0.000 0.000 0.271 120 G C 0.453 175.350 174.900 -0.006 0.000 1.427 120 G CA 1.329 46.430 45.100 0.002 0.000 1.057 120 G HN 1.618 nan 8.290 nan 0.000 0.532 121 V N -3.003 116.904 119.914 -0.012 0.000 3.156 121 V HA 0.805 4.925 4.120 -0.000 0.000 0.311 121 V C 0.088 176.162 176.094 -0.033 0.000 1.208 121 V CA -1.271 61.015 62.300 -0.023 0.000 1.063 121 V CB 1.510 33.318 31.823 -0.025 0.000 1.098 121 V HN 1.104 nan 8.190 nan 0.000 0.452 122 R N 0.452 120.924 120.500 -0.045 0.000 2.546 122 R HA 0.850 5.190 4.340 -0.000 0.000 0.266 122 R C 0.443 176.707 176.300 -0.059 0.000 1.086 122 R CA 0.319 56.384 56.100 -0.058 0.000 1.160 122 R CB 0.573 30.826 30.300 -0.078 0.000 1.138 122 R HN 2.273 nan 8.270 nan 0.000 0.567 123 G N 0.365 109.127 108.800 -0.064 0.000 2.548 123 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.208 123 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.208 123 G C 0.307 175.168 174.900 -0.065 0.000 1.308 123 G CA -0.150 44.915 45.100 -0.059 0.000 0.924 123 G HN 0.476 nan 8.290 nan 0.000 0.540 124 M N 0.515 120.081 119.600 -0.058 0.000 2.460 124 M HA 0.076 4.556 4.480 -0.000 0.000 0.263 124 M C 1.794 178.052 176.300 -0.071 0.000 1.071 124 M CA 1.301 56.561 55.300 -0.067 0.000 1.096 124 M CB -1.124 31.449 32.600 -0.045 0.000 1.408 124 M HN 0.621 nan 8.290 nan 0.000 0.463 125 E N 0.353 120.521 120.200 -0.052 0.000 2.311 125 E HA 0.107 4.457 4.350 -0.000 0.000 0.198 125 E C 0.012 176.591 176.600 -0.036 0.000 1.115 125 E CA -0.224 56.154 56.400 -0.036 0.000 1.140 125 E CB 0.066 29.753 29.700 -0.022 0.000 1.204 125 E HN 0.363 nan 8.360 nan 0.000 0.446 126 R N 0.827 121.283 120.500 -0.074 0.000 2.623 126 R HA 0.044 4.384 4.340 -0.000 0.000 0.271 126 R C 1.094 177.403 176.300 0.014 0.000 1.043 126 R CA 0.520 56.582 56.100 -0.064 0.000 1.083 126 R CB 0.610 30.819 30.300 -0.151 0.000 0.974 126 R HN 0.057 nan 8.270 nan 0.000 0.436 127 K N 0.863 121.298 120.400 0.058 0.000 2.323 127 K HA 0.106 4.426 4.320 -0.000 0.000 0.197 127 K C -0.156 176.550 176.600 0.177 0.000 1.043 127 K CA 0.452 56.803 56.287 0.108 0.000 0.997 127 K CB 0.794 33.328 32.500 0.056 0.000 0.807 127 K HN 0.231 nan 8.250 nan 0.000 0.497 128 V N 2.178 122.196 119.914 0.172 0.000 2.487 128 V HA 0.179 4.299 4.120 -0.000 0.000 0.298 128 V C -0.988 175.270 176.094 0.274 0.000 1.028 128 V CA -1.009 61.417 62.300 0.209 0.000 0.860 128 V CB 1.345 33.224 31.823 0.093 0.000 0.991 128 V HN 0.166 nan 8.190 nan 0.000 0.427 129 H N 5.603 124.677 119.070 0.007 0.000 2.489 129 H HA 0.366 4.922 4.556 -0.000 0.000 0.322 129 H C -1.884 173.452 175.328 0.013 0.000 1.091 129 H CA -2.188 53.865 56.048 0.009 0.000 1.291 129 H CB 1.185 30.951 29.762 0.007 0.000 1.436 129 H HN 0.315 nan 8.280 nan 0.000 0.480 130 P HA -0.178 nan 4.420 nan 0.000 0.210 130 P C 1.068 178.412 177.300 0.074 0.000 1.185 130 P CA 1.577 64.718 63.100 0.067 0.000 0.924 130 P CB 0.433 32.158 31.700 0.042 0.000 0.786 131 N N -1.731 117.012 118.700 0.072 0.000 2.092 131 N HA -0.129 4.611 4.740 -0.000 0.000 0.189 131 N C 1.448 176.992 175.510 0.056 0.000 1.040 131 N CA 1.319 54.403 53.050 0.057 0.000 0.845 131 N CB -0.406 38.109 38.487 0.047 0.000 1.017 131 N HN -0.090 nan 8.380 nan 0.000 0.426 132 D N 0.360 120.806 120.400 0.077 0.000 2.103 132 D HA -0.158 4.482 4.640 -0.000 0.000 0.190 132 D C 1.234 177.546 176.300 0.021 0.000 0.997 132 D CA 1.280 55.305 54.000 0.042 0.000 0.833 132 D CB -0.367 40.452 40.800 0.032 0.000 0.961 132 D HN 0.340 nan 8.370 nan 0.000 0.447 133 D N -0.396 120.032 120.400 0.046 0.000 2.154 133 D HA -0.036 4.604 4.640 -0.000 0.000 0.211 133 D C 2.410 178.732 176.300 0.037 0.000 0.977 133 D CA 0.528 54.545 54.000 0.028 0.000 0.869 133 D CB -0.590 40.235 40.800 0.041 0.000 1.022 133 D HN 0.053 nan 8.370 nan 0.000 0.461 134 V N 0.964 120.910 119.914 0.054 0.000 2.343 134 V HA -0.180 3.940 4.120 -0.000 0.000 0.247 134 V C 1.507 177.630 176.094 0.049 0.000 1.051 134 V CA 1.428 63.759 62.300 0.052 0.000 1.036 134 V CB -0.662 31.197 31.823 0.059 0.000 0.654 134 V HN 0.086 nan 8.190 nan 0.000 0.451 135 N N 0.220 118.947 118.700 0.046 0.000 2.389 135 N HA 0.089 4.829 4.740 -0.000 0.000 0.237 135 N C 0.231 175.753 175.510 0.020 0.000 1.148 135 N CA -0.144 52.929 53.050 0.039 0.000 0.854 135 N CB -0.226 38.283 38.487 0.038 0.000 1.115 135 N HN 0.261 nan 8.380 nan 0.000 0.492 136 K N 0.493 120.902 120.400 0.016 0.000 2.451 136 K HA 0.002 4.322 4.320 -0.000 0.000 0.280 136 K C 0.486 177.047 176.600 -0.064 0.000 1.020 136 K CA 0.604 56.881 56.287 -0.018 0.000 1.008 136 K CB 0.198 32.691 32.500 -0.011 0.000 0.917 136 K HN 0.310 nan 8.250 nan 0.000 0.478 137 S N 1.083 116.707 115.700 -0.128 0.000 3.419 137 S HA -0.301 4.169 4.470 -0.000 0.000 0.350 137 S C -0.024 174.453 174.600 -0.204 0.000 1.128 137 S CA 1.463 59.507 58.200 -0.260 0.000 0.999 137 S CB -2.006 60.862 63.200 -0.553 0.000 0.923 137 S HN 0.756 nan 8.310 nan 0.000 0.522 138 Q N -0.229 119.536 119.800 -0.060 0.000 2.852 138 Q HA 0.856 5.196 4.340 -0.000 0.000 0.262 138 Q C -0.611 175.392 176.000 0.005 0.000 1.051 138 Q CA -0.606 55.205 55.803 0.013 0.000 0.894 138 Q CB 2.013 30.783 28.738 0.054 0.000 1.381 138 Q HN 0.412 nan 8.270 nan 0.000 0.501 139 S N -0.922 114.792 115.700 0.023 0.000 2.584 139 S HA 0.119 4.589 4.470 -0.000 0.000 0.280 139 S C 0.091 174.708 174.600 0.028 0.000 1.162 139 S CA -0.102 58.107 58.200 0.015 0.000 0.951 139 S CB 1.012 64.216 63.200 0.005 0.000 1.108 139 S HN 0.703 nan 8.310 nan 0.000 0.464 140 S N 3.990 119.705 115.700 0.025 0.000 2.465 140 S HA -0.121 4.349 4.470 -0.000 0.000 0.241 140 S C 1.253 175.878 174.600 0.042 0.000 1.000 140 S CA 1.301 59.524 58.200 0.038 0.000 0.964 140 S CB -0.460 62.744 63.200 0.006 0.000 0.763 140 S HN 0.690 nan 8.310 nan 0.000 0.512 141 N N 2.682 121.394 118.700 0.020 0.000 2.250 141 N HA -0.036 4.704 4.740 -0.000 0.000 0.181 141 N C 1.412 176.938 175.510 0.026 0.000 1.017 141 N CA 1.549 54.608 53.050 0.016 0.000 0.866 141 N CB -0.417 38.072 38.487 0.003 0.000 0.985 141 N HN 0.826 nan 8.380 nan 0.000 0.429 142 D N -0.073 120.338 120.400 0.019 0.000 2.366 142 D HA 0.027 4.667 4.640 -0.000 0.000 0.205 142 D C 1.566 177.870 176.300 0.006 0.000 1.022 142 D CA 0.192 54.193 54.000 0.003 0.000 0.868 142 D CB -0.161 40.638 40.800 -0.003 0.000 0.953 142 D HN -0.018 nan 8.370 nan 0.000 0.514 143 V N 0.335 120.270 119.914 0.035 0.000 2.346 143 V HA -0.092 4.028 4.120 -0.000 0.000 0.244 143 V C 2.265 178.366 176.094 0.011 0.000 1.037 143 V CA 0.990 63.304 62.300 0.023 0.000 1.029 143 V CB -0.819 31.032 31.823 0.046 0.000 0.663 143 V HN 0.026 nan 8.190 nan 0.000 0.454 144 F N 1.618 121.528 119.950 -0.067 0.000 2.095 144 F HA -0.117 4.410 4.527 -0.000 0.000 0.298 144 F C -0.060 175.678 175.800 -0.104 0.000 1.104 144 F CA 2.219 60.173 58.000 -0.078 0.000 1.232 144 F CB -1.429 37.528 39.000 -0.071 0.000 0.987 144 F HN 0.234 nan 8.300 nan 0.000 0.475 145 P HA -0.146 nan 4.420 nan 0.000 0.216 145 P C 1.603 178.716 177.300 -0.311 0.000 1.150 145 P CA 2.487 65.493 63.100 -0.155 0.000 0.837 145 P CB -0.231 31.385 31.700 -0.139 0.000 0.786 146 T N -0.562 113.861 114.554 -0.219 0.000 2.708 146 T HA -0.143 4.207 4.350 -0.000 0.000 0.266 146 T C 1.932 176.508 174.700 -0.206 0.000 1.037 146 T CA 1.653 63.633 62.100 -0.201 0.000 1.146 146 T CB -1.071 67.704 68.868 -0.155 0.000 0.865 146 T HN 0.041 nan 8.240 nan 0.000 0.435 147 A N 1.413 124.081 122.820 -0.253 0.000 1.940 147 A HA -0.111 4.209 4.320 -0.000 0.000 0.219 147 A C 2.353 179.779 177.584 -0.264 0.000 1.176 147 A CA 1.677 53.544 52.037 -0.284 0.000 0.631 147 A CB -0.768 17.995 19.000 -0.395 0.000 0.814 147 A HN 0.468 nan 8.150 nan 0.000 0.446 148 M N -1.641 117.770 119.600 -0.315 0.000 2.065 148 M HA -0.174 4.306 4.480 -0.000 0.000 0.259 148 M C 2.201 178.517 176.300 0.027 0.000 1.069 148 M CA 1.738 56.928 55.300 -0.183 0.000 1.110 148 M CB -0.587 31.916 32.600 -0.161 0.000 1.328 148 M HN 0.478 nan 8.290 nan 0.000 0.405 149 H N -0.535 118.471 119.070 -0.106 0.000 2.423 149 H HA -0.030 4.526 4.556 -0.000 0.000 0.297 149 H C 2.183 177.580 175.328 0.114 0.000 1.075 149 H CA 1.207 57.246 56.048 -0.014 0.000 1.342 149 H CB -0.659 29.128 29.762 0.041 0.000 1.395 149 H HN 0.154 nan 8.280 nan 0.000 0.530 150 V N 0.493 120.494 119.914 0.146 0.000 2.379 150 V HA -0.187 3.933 4.120 -0.000 0.000 0.245 150 V C 2.601 178.783 176.094 0.146 0.000 1.044 150 V CA 1.513 63.876 62.300 0.106 0.000 1.036 150 V CB -0.970 30.738 31.823 -0.192 0.000 0.664 150 V HN 0.508 nan 8.190 nan 0.000 0.453 151 A N 0.031 122.881 122.820 0.050 0.000 1.898 151 A HA -0.082 4.238 4.320 -0.000 0.000 0.216 151 A C 2.413 180.064 177.584 0.111 0.000 1.181 151 A CA 2.024 54.089 52.037 0.047 0.000 0.620 151 A CB -0.770 18.219 19.000 -0.018 0.000 0.819 151 A HN 0.545 nan 8.150 nan 0.000 0.442 152 A N -0.522 122.369 122.820 0.118 0.000 1.902 152 A HA -0.021 4.299 4.320 -0.000 0.000 0.217 152 A C 2.219 179.912 177.584 0.182 0.000 1.181 152 A CA 1.445 53.593 52.037 0.184 0.000 0.623 152 A CB -0.568 18.371 19.000 -0.101 0.000 0.818 152 A HN 0.481 nan 8.150 nan 0.000 0.443 153 L N -0.534 120.769 121.223 0.134 0.000 2.056 153 L HA -0.118 4.222 4.340 -0.000 0.000 0.207 153 L C 2.478 179.392 176.870 0.072 0.000 1.078 153 L CA 1.245 56.129 54.840 0.073 0.000 0.749 153 L CB -0.295 41.761 42.059 -0.005 0.000 0.901 153 L HN 0.420 nan 8.230 nan 0.000 0.433 154 L N -0.756 120.544 121.223 0.129 0.000 2.093 154 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 154 L C 2.781 179.692 176.870 0.068 0.000 1.085 154 L CA 0.989 55.888 54.840 0.099 0.000 0.755 154 L CB -0.714 41.423 42.059 0.129 0.000 0.904 154 L HN 0.251 nan 8.230 nan 0.000 0.435 155 A N 0.157 123.025 122.820 0.080 0.000 1.930 155 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 155 A C 2.251 179.856 177.584 0.035 0.000 1.175 155 A CA 1.286 53.355 52.037 0.054 0.000 0.627 155 A CB -0.500 18.543 19.000 0.071 0.000 0.815 155 A HN 0.337 nan 8.150 nan 0.000 0.443 156 L N -1.394 119.863 121.223 0.056 0.000 2.044 156 L HA -0.108 4.232 4.340 -0.000 0.000 0.205 156 L C 2.896 179.769 176.870 0.005 0.000 1.075 156 L CA 1.281 56.138 54.840 0.028 0.000 0.747 156 L CB -0.427 41.667 42.059 0.059 0.000 0.903 156 L HN 0.304 nan 8.230 nan 0.000 0.435 157 R N 0.164 120.667 120.500 0.005 0.000 2.062 157 R HA -0.092 4.248 4.340 -0.000 0.000 0.231 157 R C 2.019 178.316 176.300 -0.005 0.000 1.136 157 R CA 1.145 57.238 56.100 -0.011 0.000 0.948 157 R CB -0.078 30.207 30.300 -0.025 0.000 0.845 157 R HN 0.262 nan 8.270 nan 0.000 0.430 158 K N -0.064 120.340 120.400 0.007 0.000 2.426 158 K HA 0.009 4.329 4.320 -0.000 0.000 0.193 158 K C 1.319 177.921 176.600 0.004 0.000 1.028 158 K CA 0.597 56.889 56.287 0.009 0.000 1.047 158 K CB 0.595 33.108 32.500 0.021 0.000 0.821 158 K HN 0.279 nan 8.250 nan 0.000 0.513 159 Q N -0.412 119.388 119.800 -0.001 0.000 2.474 159 Q HA 0.106 4.446 4.340 -0.000 0.000 0.191 159 Q C 1.762 177.751 176.000 -0.018 0.000 0.700 159 Q CA -0.238 55.560 55.803 -0.008 0.000 0.849 159 Q CB -0.125 28.608 28.738 -0.009 0.000 1.232 159 Q HN 0.001 nan 8.270 nan 0.000 0.563 160 L N 1.759 122.967 121.223 -0.026 0.000 1.956 160 L HA -0.186 4.154 4.340 -0.000 0.000 0.216 160 L C 2.151 179.001 176.870 -0.032 0.000 1.073 160 L CA 1.796 56.613 54.840 -0.039 0.000 0.762 160 L CB -0.416 41.609 42.059 -0.056 0.000 0.889 160 L HN 0.278 nan 8.230 nan 0.000 0.433 161 I N -0.522 120.031 120.570 -0.028 0.000 2.151 161 I HA -0.278 3.892 4.170 -0.000 0.000 0.243 161 I C -0.362 175.742 176.117 -0.023 0.000 1.080 161 I CA 1.587 62.871 61.300 -0.028 0.000 1.339 161 I CB -1.666 36.317 38.000 -0.028 0.000 1.039 161 I HN 0.314 nan 8.210 nan 0.000 0.409 162 P HA -0.166 nan 4.420 nan 0.000 0.215 162 P C 1.530 178.823 177.300 -0.013 0.000 1.157 162 P CA 1.236 64.327 63.100 -0.015 0.000 0.868 162 P CB -0.043 31.650 31.700 -0.011 0.000 0.788 163 Q N -1.031 118.762 119.800 -0.013 0.000 2.167 163 Q HA -0.108 4.232 4.340 -0.000 0.000 0.202 163 Q C 2.109 178.107 176.000 -0.003 0.000 0.970 163 Q CA 0.973 56.772 55.803 -0.008 0.000 0.855 163 Q CB -1.226 27.506 28.738 -0.010 0.000 0.911 163 Q HN 0.243 nan 8.270 nan 0.000 0.438 164 L N 1.249 122.465 121.223 -0.011 0.000 2.093 164 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 164 L C 1.919 178.788 176.870 -0.000 0.000 1.085 164 L CA 1.789 56.624 54.840 -0.009 0.000 0.755 164 L CB -0.274 41.772 42.059 -0.022 0.000 0.904 164 L HN 0.002 nan 8.230 nan 0.000 0.435 165 K N -1.391 119.005 120.400 -0.007 0.000 2.148 165 K HA -0.087 4.233 4.320 -0.000 0.000 0.204 165 K C 1.842 178.443 176.600 0.001 0.000 1.050 165 K CA 1.664 57.947 56.287 -0.007 0.000 0.942 165 K CB -0.244 32.248 32.500 -0.014 0.000 0.724 165 K HN 0.386 nan 8.250 nan 0.000 0.446 166 T N 1.966 116.521 114.554 0.002 0.000 2.737 166 T HA -0.118 4.232 4.350 -0.000 0.000 0.265 166 T C 1.742 176.452 174.700 0.017 0.000 1.038 166 T CA 0.878 62.979 62.100 0.003 0.000 1.144 166 T CB -0.208 68.657 68.868 -0.004 0.000 0.866 166 T HN 0.074 nan 8.240 nan 0.000 0.434 167 L N 1.296 122.539 121.223 0.033 0.000 2.042 167 L HA -0.093 4.247 4.340 -0.000 0.000 0.210 167 L C 2.440 179.354 176.870 0.074 0.000 1.076 167 L CA 1.844 56.725 54.840 0.068 0.000 0.749 167 L CB -1.287 40.831 42.059 0.100 0.000 0.893 167 L HN 0.194 nan 8.230 nan 0.000 0.432 168 T N -0.814 113.774 114.554 0.057 0.000 2.652 168 T HA -0.296 4.054 4.350 -0.000 0.000 0.267 168 T C 1.761 176.488 174.700 0.046 0.000 1.039 168 T CA 1.849 63.984 62.100 0.060 0.000 1.153 168 T CB -0.286 68.603 68.868 0.036 0.000 0.863 168 T HN 0.511 nan 8.240 nan 0.000 0.428 169 Q N 0.199 120.013 119.800 0.023 0.000 2.135 169 Q HA -0.162 4.178 4.340 -0.000 0.000 0.204 169 Q C 2.239 178.243 176.000 0.007 0.000 0.981 169 Q CA 1.688 57.496 55.803 0.008 0.000 0.856 169 Q CB -0.258 28.479 28.738 -0.003 0.000 0.902 169 Q HN 0.493 nan 8.270 nan 0.000 0.425 170 T N 1.221 115.785 114.554 0.017 0.000 2.643 170 T HA -0.150 4.200 4.350 -0.000 0.000 0.264 170 T C 1.705 176.423 174.700 0.029 0.000 1.045 170 T CA 1.119 63.226 62.100 0.012 0.000 1.155 170 T CB -0.245 68.633 68.868 0.016 0.000 0.863 170 T HN 0.146 nan 8.240 nan 0.000 0.420 171 L N 2.052 123.324 121.223 0.082 0.000 2.079 171 L HA -0.044 4.296 4.340 -0.000 0.000 0.210 171 L C 2.282 179.193 176.870 0.067 0.000 1.081 171 L CA 1.403 56.326 54.840 0.138 0.000 0.752 171 L CB -1.078 41.123 42.059 0.236 0.000 0.896 171 L HN 0.359 nan 8.230 nan 0.000 0.433 172 N N -0.408 118.313 118.700 0.034 0.000 2.188 172 N HA -0.185 4.555 4.740 -0.000 0.000 0.184 172 N C 1.639 177.121 175.510 -0.048 0.000 1.018 172 N CA 1.107 54.155 53.050 -0.003 0.000 0.858 172 N CB 0.219 38.706 38.487 -0.001 0.000 0.989 172 N HN 0.502 nan 8.380 nan 0.000 0.426 173 E N 0.429 120.596 120.200 -0.055 0.000 2.077 173 E HA -0.130 4.220 4.350 -0.000 0.000 0.193 173 E C 1.923 178.410 176.600 -0.189 0.000 0.989 173 E CA 0.818 57.159 56.400 -0.098 0.000 0.800 173 E CB 0.122 29.775 29.700 -0.077 0.000 0.746 173 E HN 0.208 nan 8.360 nan 0.000 0.452 174 K N 0.587 120.868 120.400 -0.200 0.000 2.097 174 K HA -0.054 4.266 4.320 -0.000 0.000 0.206 174 K C 2.284 178.601 176.600 -0.471 0.000 1.049 174 K CA 0.780 56.822 56.287 -0.408 0.000 0.933 174 K CB -0.394 32.019 32.500 -0.145 0.000 0.717 174 K HN -0.028 nan 8.250 nan 0.000 0.442 175 S N 0.980 116.556 115.700 -0.208 0.000 2.383 175 S HA -0.118 4.352 4.470 -0.000 0.000 0.229 175 S C 1.961 176.473 174.600 -0.147 0.000 1.030 175 S CA 1.214 59.328 58.200 -0.144 0.000 1.002 175 S CB -0.085 63.063 63.200 -0.086 0.000 0.829 175 S HN 0.337 nan 8.310 nan 0.000 0.467 176 R N 1.017 121.420 120.500 -0.161 0.000 2.090 176 R HA 0.134 4.474 4.340 -0.000 0.000 0.228 176 R C 2.585 178.796 176.300 -0.147 0.000 1.110 176 R CA 1.024 57.052 56.100 -0.120 0.000 0.973 176 R CB -0.428 29.815 30.300 -0.095 0.000 0.869 176 R HN 0.378 nan 8.270 nan 0.000 0.440 177 A N 0.939 123.580 122.820 -0.300 0.000 1.933 177 A HA -0.106 4.214 4.320 -0.000 0.000 0.218 177 A C 0.822 178.350 177.584 -0.094 0.000 1.175 177 A CA 1.128 52.974 52.037 -0.319 0.000 0.628 177 A CB -0.173 18.456 19.000 -0.617 0.000 0.814 177 A HN 0.210 nan 8.150 nan 0.000 0.444 178 F N -0.905 119.039 119.950 -0.010 0.000 2.925 178 F HA 0.543 5.070 4.527 -0.000 0.000 0.302 178 F C 1.633 177.418 175.800 -0.025 0.000 1.189 178 F CA -0.921 57.070 58.000 -0.015 0.000 1.346 178 F CB -0.846 38.145 39.000 -0.016 0.000 0.954 178 F HN 0.193 nan 8.300 nan 0.000 0.506 179 A N 0.113 122.990 122.820 0.094 0.000 2.119 179 A HA -0.069 4.251 4.320 -0.000 0.000 0.216 179 A C 1.860 179.472 177.584 0.046 0.000 1.152 179 A CA 1.493 53.555 52.037 0.042 0.000 0.708 179 A CB -0.338 18.665 19.000 0.005 0.000 0.805 179 A HN 0.382 nan 8.150 nan 0.000 0.460 180 D N -0.897 119.542 120.400 0.066 0.000 2.407 180 D HA 0.050 4.690 4.640 -0.000 0.000 0.208 180 D C 0.214 176.543 176.300 0.048 0.000 1.083 180 D CA -0.161 53.868 54.000 0.048 0.000 0.844 180 D CB -0.189 40.638 40.800 0.044 0.000 0.967 180 D HN 0.235 nan 8.370 nan 0.000 0.506 181 I N 2.822 123.432 120.570 0.066 0.000 2.372 181 I HA 0.087 4.257 4.170 -0.000 0.000 0.298 181 I C 0.353 176.482 176.117 0.020 0.000 1.137 181 I CA -0.599 60.723 61.300 0.035 0.000 1.314 181 I CB 0.346 38.356 38.000 0.017 0.000 1.444 181 I HN -0.222 nan 8.210 nan 0.000 0.541 182 V N 8.317 128.239 119.914 0.014 0.000 2.614 182 V HA 0.261 4.381 4.120 -0.000 0.000 0.291 182 V C 0.313 176.411 176.094 0.005 0.000 1.049 182 V CA -0.252 62.054 62.300 0.010 0.000 1.038 182 V CB 1.017 32.848 31.823 0.013 0.000 0.980 182 V HN 0.848 nan 8.190 nan 0.000 0.481 183 K N 3.714 124.117 120.400 0.005 0.000 2.536 183 K HA 0.676 4.996 4.320 -0.000 0.000 0.269 183 K C -0.981 175.625 176.600 0.011 0.000 0.965 183 K CA -0.991 55.300 56.287 0.006 0.000 0.860 183 K CB 1.518 34.018 32.500 0.001 0.000 1.423 183 K HN 0.334 nan 8.250 nan 0.000 0.438 184 I N 1.998 122.579 120.570 0.017 0.000 2.683 184 I HA 0.253 4.423 4.170 -0.000 0.000 0.286 184 I C 0.393 176.521 176.117 0.018 0.000 1.175 184 I CA 0.952 62.264 61.300 0.020 0.000 1.429 184 I CB 0.382 38.397 38.000 0.025 0.000 1.371 184 I HN 0.760 nan 8.210 nan 0.000 0.569 185 G N 7.000 115.809 108.800 0.016 0.000 2.537 185 G HA2 0.559 4.519 3.960 -0.000 0.000 0.273 185 G HA3 0.559 4.519 3.960 -0.000 0.000 0.273 185 G C -0.693 174.218 174.900 0.019 0.000 1.189 185 G CA -0.740 44.368 45.100 0.015 0.000 0.881 185 G HN 0.677 nan 8.290 nan 0.000 0.535 186 R N 0.109 120.620 120.500 0.018 0.000 2.569 186 R HA 0.361 4.701 4.340 -0.000 0.000 0.293 186 R C -0.820 175.489 176.300 0.015 0.000 1.186 186 R CA -0.532 55.578 56.100 0.016 0.000 0.956 186 R CB 1.803 32.105 30.300 0.005 0.000 1.196 186 R HN 0.739 nan 8.270 nan 0.000 0.444 187 T N -1.221 113.361 114.554 0.046 0.000 2.823 187 T HA 0.293 4.643 4.350 -0.000 0.000 0.279 187 T C 0.571 175.369 174.700 0.164 0.000 0.998 187 T CA -0.608 61.530 62.100 0.063 0.000 0.994 187 T CB 1.028 69.973 68.868 0.130 0.000 0.960 187 T HN 0.822 nan 8.240 nan 0.000 0.448 188 H N 0.998 120.046 119.070 -0.038 0.000 3.179 188 H HA -0.166 4.390 4.556 -0.000 0.000 0.250 188 H C 0.420 175.709 175.328 -0.064 0.000 1.142 188 H CA 0.671 56.692 56.048 -0.045 0.000 1.165 188 H CB -1.061 28.680 29.762 -0.033 0.000 1.253 188 H HN 0.711 nan 8.280 nan 0.000 0.325 189 L N -2.385 118.846 121.223 0.012 0.000 4.892 189 L HA -0.222 4.118 4.340 -0.000 0.000 0.403 189 L C 0.582 177.439 176.870 -0.020 0.000 0.913 189 L CA 1.546 56.354 54.840 -0.053 0.000 1.653 189 L CB -1.008 40.989 42.059 -0.103 0.000 1.780 189 L HN 0.313 nan 8.230 nan 0.000 0.597 190 Q N 0.692 120.506 119.800 0.023 0.000 2.214 190 Q HA 0.417 4.757 4.340 -0.000 0.000 0.251 190 Q C -0.146 175.864 176.000 0.016 0.000 0.936 190 Q CA -0.667 55.143 55.803 0.012 0.000 0.894 190 Q CB 0.992 29.732 28.738 0.004 0.000 1.252 190 Q HN 0.131 nan 8.270 nan 0.000 0.448 191 D N 0.889 121.294 120.400 0.009 0.000 2.488 191 D HA 0.312 4.952 4.640 -0.000 0.000 0.238 191 D C -0.375 175.933 176.300 0.013 0.000 1.138 191 D CA 0.347 54.355 54.000 0.013 0.000 0.873 191 D CB 0.664 41.472 40.800 0.013 0.000 1.183 191 D HN 0.541 nan 8.370 nan 0.000 0.458 192 A N 1.466 124.297 122.820 0.018 0.000 2.524 192 A HA 0.679 4.999 4.320 -0.000 0.000 0.286 192 A C 0.043 177.637 177.584 0.016 0.000 1.203 192 A CA -0.745 51.303 52.037 0.019 0.000 0.736 192 A CB 0.705 19.723 19.000 0.030 0.000 1.322 192 A HN 0.515 nan 8.150 nan 0.000 0.424 193 T N 0.657 115.220 114.554 0.015 0.000 2.939 193 T HA 0.360 4.710 4.350 -0.000 0.000 0.319 193 T C -1.858 172.849 174.700 0.011 0.000 1.082 193 T CA -0.396 61.711 62.100 0.013 0.000 1.133 193 T CB -0.245 68.629 68.868 0.011 0.000 1.019 193 T HN 0.525 nan 8.240 nan 0.000 0.548 194 P HA 0.406 nan 4.420 nan 0.000 0.271 194 P C -0.409 176.893 177.300 0.003 0.000 1.244 194 P CA -0.552 62.553 63.100 0.009 0.000 0.793 194 P CB 0.460 32.167 31.700 0.011 0.000 0.984 195 L N -2.986 118.237 121.223 -0.000 0.000 2.672 195 L HA 0.485 4.825 4.340 -0.000 0.000 0.256 195 L C -0.407 176.457 176.870 -0.009 0.000 0.946 195 L CA -0.978 53.858 54.840 -0.008 0.000 0.889 195 L CB 1.588 43.637 42.059 -0.017 0.000 1.441 195 L HN 0.439 nan 8.230 nan 0.000 0.418 196 T N -0.440 114.109 114.554 -0.009 0.000 2.898 196 T HA 0.227 4.577 4.350 -0.000 0.000 0.301 196 T C 0.943 175.636 174.700 -0.011 0.000 1.049 196 T CA -0.243 61.857 62.100 0.000 0.000 1.095 196 T CB 1.339 70.214 68.868 0.012 0.000 0.976 196 T HN 0.708 nan 8.240 nan 0.000 0.539 197 L N 2.953 124.183 121.223 0.011 0.000 2.127 197 L HA 0.164 4.504 4.340 -0.000 0.000 0.211 197 L C 2.510 179.378 176.870 -0.004 0.000 1.089 197 L CA 2.342 57.187 54.840 0.008 0.000 0.757 197 L CB -1.398 40.690 42.059 0.048 0.000 0.899 197 L HN 1.008 nan 8.230 nan 0.000 0.434 198 G N -1.474 107.351 108.800 0.040 0.000 2.442 198 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.219 198 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.219 198 G C 1.449 176.296 174.900 -0.088 0.000 1.141 198 G CA 0.804 45.897 45.100 -0.012 0.000 0.763 198 G HN 0.540 nan 8.290 nan 0.000 0.554 199 Q N -0.329 119.423 119.800 -0.080 0.000 2.083 199 Q HA -0.029 4.311 4.340 -0.000 0.000 0.198 199 Q C 2.406 178.300 176.000 -0.177 0.000 0.969 199 Q CA 1.191 56.935 55.803 -0.099 0.000 0.838 199 Q CB -0.156 28.545 28.738 -0.061 0.000 0.900 199 Q HN 0.668 nan 8.270 nan 0.000 0.436 200 E N 0.842 120.913 120.200 -0.215 0.000 2.110 200 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 200 E C 1.770 177.911 176.600 -0.765 0.000 0.988 200 E CA 0.876 57.070 56.400 -0.343 0.000 0.804 200 E CB 0.041 29.591 29.700 -0.251 0.000 0.745 200 E HN 0.357 nan 8.360 nan 0.000 0.458 201 I N 0.716 120.848 120.570 -0.731 0.000 2.584 201 I HA -0.163 4.007 4.170 -0.000 0.000 0.255 201 I C 2.489 178.336 176.117 -0.450 0.000 1.145 201 I CA 0.857 61.586 61.300 -0.952 0.000 1.462 201 I CB -0.186 37.554 38.000 -0.435 0.000 1.102 201 I HN 0.157 nan 8.210 nan 0.000 0.433 202 S N 0.924 116.469 115.700 -0.257 0.000 2.469 202 S HA -0.077 4.393 4.470 -0.000 0.000 0.238 202 S C 2.015 176.575 174.600 -0.068 0.000 0.998 202 S CA 0.993 59.129 58.200 -0.107 0.000 0.957 202 S CB -0.786 62.369 63.200 -0.074 0.000 0.764 202 S HN 0.475 nan 8.310 nan 0.000 0.514 203 G N 0.276 108.981 108.800 -0.158 0.000 2.448 203 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.218 203 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.218 203 G C 1.094 176.073 174.900 0.132 0.000 1.135 203 G CA 0.485 45.558 45.100 -0.044 0.000 0.784 203 G HN 0.552 nan 8.290 nan 0.000 0.543 204 W N 0.618 121.948 121.300 0.049 0.000 2.443 204 W HA 0.101 4.761 4.660 -0.000 0.000 0.296 204 W C 2.405 178.956 176.519 0.052 0.000 1.202 204 W CA 0.051 57.426 57.345 0.051 0.000 1.312 204 W CB -1.276 28.225 29.460 0.068 0.000 1.120 204 W HN 0.022 nan 8.180 nan 0.000 0.536 205 V N 1.461 121.534 119.914 0.266 0.000 2.282 205 V HA -0.314 3.806 4.120 -0.000 0.000 0.249 205 V C 2.575 178.752 176.094 0.138 0.000 1.057 205 V CA 2.694 65.091 62.300 0.162 0.000 1.032 205 V CB -1.670 30.209 31.823 0.092 0.000 0.645 205 V HN 0.136 nan 8.190 nan 0.000 0.447 206 A N -0.924 121.982 122.820 0.142 0.000 1.972 206 A HA -0.218 4.102 4.320 -0.000 0.000 0.219 206 A C 2.216 179.979 177.584 0.299 0.000 1.169 206 A CA 2.169 54.321 52.037 0.191 0.000 0.635 206 A CB -0.468 18.638 19.000 0.176 0.000 0.810 206 A HN 0.526 nan 8.150 nan 0.000 0.446 207 M N -0.604 119.125 119.600 0.215 0.000 2.077 207 M HA -0.084 4.396 4.480 -0.000 0.000 0.261 207 M C 2.074 178.474 176.300 0.168 0.000 1.070 207 M CA 1.477 56.882 55.300 0.175 0.000 1.125 207 M CB -0.519 32.162 32.600 0.135 0.000 1.339 207 M HN 0.353 nan 8.290 nan 0.000 0.409 208 L N -0.297 121.005 121.223 0.131 0.000 2.083 208 L HA -0.210 4.130 4.340 -0.000 0.000 0.209 208 L C 2.312 179.222 176.870 0.065 0.000 1.083 208 L CA 1.310 56.199 54.840 0.081 0.000 0.752 208 L CB -0.830 41.273 42.059 0.072 0.000 0.899 208 L HN 0.374 nan 8.230 nan 0.000 0.433 209 E N -0.590 119.651 120.200 0.068 0.000 2.077 209 E HA -0.233 4.117 4.350 -0.000 0.000 0.193 209 E C 2.080 178.641 176.600 -0.066 0.000 0.989 209 E CA 1.380 57.769 56.400 -0.018 0.000 0.800 209 E CB -0.142 29.526 29.700 -0.052 0.000 0.746 209 E HN 0.594 nan 8.360 nan 0.000 0.452 210 H N 0.343 119.421 119.070 0.013 0.000 2.389 210 H HA 0.006 4.562 4.556 -0.000 0.000 0.299 210 H C 1.952 177.336 175.328 0.092 0.000 1.081 210 H CA 1.118 57.186 56.048 0.034 0.000 1.345 210 H CB 0.094 29.918 29.762 0.104 0.000 1.393 210 H HN 0.080 nan 8.280 nan 0.000 0.520 211 N N 0.302 119.120 118.700 0.197 0.000 2.223 211 N HA -0.132 4.608 4.740 -0.000 0.000 0.185 211 N C 1.890 177.421 175.510 0.034 0.000 1.016 211 N CA 0.640 53.768 53.050 0.129 0.000 0.863 211 N CB -0.174 38.343 38.487 0.050 0.000 0.983 211 N HN 0.221 nan 8.380 nan 0.000 0.429 212 L N 2.346 123.552 121.223 -0.028 0.000 1.989 212 L HA -0.159 4.181 4.340 -0.000 0.000 0.211 212 L C 2.073 178.833 176.870 -0.184 0.000 1.071 212 L CA 1.744 56.532 54.840 -0.086 0.000 0.749 212 L CB -0.423 41.583 42.059 -0.089 0.000 0.890 212 L HN -0.054 nan 8.230 nan 0.000 0.431 213 K N -0.945 119.275 120.400 -0.299 0.000 2.032 213 K HA -0.201 4.119 4.320 -0.000 0.000 0.209 213 K C 2.193 178.275 176.600 -0.864 0.000 1.048 213 K CA 1.708 57.607 56.287 -0.646 0.000 0.927 213 K CB -1.026 31.054 32.500 -0.699 0.000 0.712 213 K HN 0.532 nan 8.250 nan 0.000 0.441 214 H N 0.554 119.396 119.070 -0.379 0.000 2.387 214 H HA 0.014 4.570 4.556 -0.000 0.000 0.299 214 H C 2.282 177.551 175.328 -0.098 0.000 1.090 214 H CA 1.162 57.103 56.048 -0.178 0.000 1.332 214 H CB -0.080 29.657 29.762 -0.042 0.000 1.386 214 H HN 0.157 nan 8.280 nan 0.000 0.516 215 I N 0.543 121.115 120.570 0.003 0.000 2.500 215 I HA -0.148 4.022 4.170 -0.000 0.000 0.252 215 I C 2.139 178.250 176.117 -0.010 0.000 1.142 215 I CA 0.816 62.120 61.300 0.006 0.000 1.451 215 I CB -0.110 37.880 38.000 -0.018 0.000 1.093 215 I HN 0.189 nan 8.210 nan 0.000 0.430 216 E N 0.171 120.316 120.200 -0.092 0.000 2.152 216 E HA -0.186 4.164 4.350 -0.000 0.000 0.192 216 E C 1.966 178.617 176.600 0.085 0.000 0.983 216 E CA 1.036 57.405 56.400 -0.053 0.000 0.818 216 E CB -0.009 29.616 29.700 -0.125 0.000 0.758 216 E HN 0.440 nan 8.360 nan 0.000 0.467 217 Y N 0.659 120.961 120.300 0.003 0.000 2.421 217 Y HA -0.096 4.454 4.550 -0.000 0.000 0.292 217 Y C 2.559 178.481 175.900 0.036 0.000 1.136 217 Y CA 0.965 59.072 58.100 0.011 0.000 1.255 217 Y CB -0.599 37.869 38.460 0.013 0.000 0.991 217 Y HN 0.040 nan 8.280 nan 0.000 0.552 218 S N -1.126 114.693 115.700 0.198 0.000 2.593 218 S HA 0.061 4.531 4.470 -0.000 0.000 0.217 218 S C 1.661 176.313 174.600 0.087 0.000 0.966 218 S CA 0.026 58.309 58.200 0.140 0.000 0.914 218 S CB -0.663 62.611 63.200 0.124 0.000 0.776 218 S HN 0.381 nan 8.310 nan 0.000 0.523 219 L N 0.857 122.122 121.223 0.070 0.000 2.095 219 L HA 0.112 4.452 4.340 -0.000 0.000 0.204 219 L C -0.706 176.167 176.870 0.006 0.000 1.080 219 L CA 0.697 55.547 54.840 0.016 0.000 0.759 219 L CB -1.802 40.252 42.059 -0.007 0.000 0.914 219 L HN 0.214 nan 8.230 nan 0.000 0.439 220 P HA -0.210 nan 4.420 nan 0.000 0.217 220 P C 1.413 178.754 177.300 0.069 0.000 1.148 220 P CA 1.445 64.561 63.100 0.026 0.000 0.828 220 P CB -0.043 31.672 31.700 0.026 0.000 0.783 221 H N -0.611 118.446 119.070 -0.022 0.000 2.403 221 H HA 0.009 4.565 4.556 -0.000 0.000 0.298 221 H C 1.690 176.967 175.328 -0.085 0.000 1.059 221 H CA 1.000 57.035 56.048 -0.023 0.000 1.363 221 H CB -0.639 29.116 29.762 -0.012 0.000 1.410 221 H HN -0.141 nan 8.280 nan 0.000 0.528 222 V N 0.954 120.839 119.914 -0.049 0.000 2.626 222 V HA -0.155 3.965 4.120 -0.000 0.000 0.252 222 V C 2.725 178.749 176.094 -0.117 0.000 1.067 222 V CA 1.297 63.386 62.300 -0.351 0.000 1.081 222 V CB -1.116 30.533 31.823 -0.290 0.000 0.686 222 V HN 0.531 nan 8.190 nan 0.000 0.468 223 A N -0.599 122.224 122.820 0.005 0.000 2.172 223 A HA -0.083 4.237 4.320 -0.000 0.000 0.216 223 A C 1.084 178.816 177.584 0.247 0.000 1.154 223 A CA 0.405 52.476 52.037 0.057 0.000 0.701 223 A CB -0.374 18.574 19.000 -0.087 0.000 0.789 223 A HN 0.621 nan 8.150 nan 0.000 0.465 224 E N 0.459 120.810 120.200 0.252 0.000 2.217 224 E HA 0.332 4.682 4.350 -0.000 0.000 0.279 224 E C -0.952 175.827 176.600 0.299 0.000 1.068 224 E CA -0.160 56.392 56.400 0.253 0.000 0.882 224 E CB 0.564 30.401 29.700 0.230 0.000 1.039 224 E HN 0.413 nan 8.360 nan 0.000 0.418 225 L N 2.254 123.587 121.223 0.183 0.000 2.292 225 L HA 0.282 4.622 4.340 -0.000 0.000 0.284 225 L C 1.071 177.946 176.870 0.007 0.000 1.065 225 L CA -0.377 54.507 54.840 0.074 0.000 0.806 225 L CB 1.299 43.367 42.059 0.015 0.000 1.175 225 L HN 0.637 nan 8.230 nan 0.000 0.431 226 A N 3.507 126.294 122.820 -0.054 0.000 2.178 226 A HA 0.068 4.388 4.320 -0.000 0.000 0.211 226 A C 0.771 178.326 177.584 -0.048 0.000 1.157 226 A CA -0.053 51.948 52.037 -0.060 0.000 0.780 226 A CB -0.069 18.876 19.000 -0.092 0.000 0.828 226 A HN 0.540 nan 8.150 nan 0.000 0.476 227 L N 0.943 122.135 121.223 -0.051 0.000 2.698 227 L HA 0.384 4.724 4.340 -0.000 0.000 0.272 227 L C 1.093 177.971 176.870 0.012 0.000 1.154 227 L CA 1.478 56.304 54.840 -0.024 0.000 0.964 227 L CB -0.142 41.874 42.059 -0.071 0.000 1.272 227 L HN 0.447 nan 8.230 nan 0.000 0.483 228 G N 2.366 111.217 108.800 0.086 0.000 3.246 228 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.218 228 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.218 228 G C 0.794 175.730 174.900 0.060 0.000 0.978 228 G CA -0.051 45.139 45.100 0.149 0.000 0.825 228 G HN 0.918 nan 8.290 nan 0.000 0.546 229 G N 0.700 109.489 108.800 -0.018 0.000 2.777 229 G HA2 0.440 4.400 3.960 -0.000 0.000 0.211 229 G HA3 0.440 4.400 3.960 -0.000 0.000 0.211 229 G C 1.316 176.175 174.900 -0.069 0.000 1.149 229 G CA 2.326 47.368 45.100 -0.097 0.000 0.785 229 G HN 1.935 nan 8.290 nan 0.000 0.536 230 T N -1.221 113.320 114.554 -0.022 0.000 14.043 230 T HA -0.382 3.968 4.350 -0.000 0.000 0.422 230 T C 1.963 176.650 174.700 -0.021 0.000 1.438 230 T CA 2.139 64.230 62.100 -0.016 0.000 2.348 230 T CB -1.430 67.425 68.868 -0.021 0.000 2.748 230 T HN 1.430 nan 8.240 nan 0.000 0.266 231 A N 1.244 124.056 122.820 -0.013 0.000 1.885 231 A HA 0.044 4.364 4.320 -0.000 0.000 0.215 231 A C 2.815 180.402 177.584 0.004 0.000 1.255 231 A CA 4.289 56.324 52.037 -0.003 0.000 0.692 231 A CB -1.459 17.543 19.000 0.003 0.000 0.842 231 A HN 2.249 nan 8.150 nan 0.000 0.465 232 V N -4.341 115.583 119.914 0.017 0.000 3.444 232 V HA 0.599 4.719 4.120 -0.000 0.000 0.308 232 V C 1.168 177.261 176.094 -0.001 0.000 1.371 232 V CA 0.838 63.170 62.300 0.054 0.000 1.141 232 V CB -0.596 31.295 31.823 0.113 0.000 1.037 232 V HN 2.022 nan 8.190 nan 0.000 0.433 233 G N 1.112 109.823 108.800 -0.149 0.000 2.176 233 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.232 233 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.232 233 G C 0.928 175.472 174.900 -0.594 0.000 0.986 233 G CA 0.948 45.753 45.100 -0.492 0.000 0.643 233 G HN 1.113 nan 8.290 nan 0.000 0.522 234 T N -1.541 112.927 114.554 -0.144 0.000 3.067 234 T HA 0.407 4.757 4.350 -0.000 0.000 0.261 234 T C 2.298 177.001 174.700 0.005 0.000 1.110 234 T CA 1.605 63.736 62.100 0.052 0.000 1.113 234 T CB 0.097 69.071 68.868 0.175 0.000 0.917 234 T HN 2.238 nan 8.240 nan 0.000 0.499 235 G N 1.311 110.091 108.800 -0.035 0.000 2.182 235 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.248 235 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.248 235 G C -0.127 174.770 174.900 -0.005 0.000 1.042 235 G CA 0.096 45.189 45.100 -0.012 0.000 0.775 235 G HN 0.701 nan 8.290 nan 0.000 0.501 236 L N -0.107 121.114 121.223 -0.003 0.000 2.456 236 L HA 0.268 4.608 4.340 -0.000 0.000 0.272 236 L C 1.059 177.913 176.870 -0.026 0.000 1.189 236 L CA 0.709 55.545 54.840 -0.006 0.000 0.846 236 L CB 0.097 42.158 42.059 0.003 0.000 1.111 236 L HN 0.546 nan 8.230 nan 0.000 0.475 237 N N 0.974 119.654 118.700 -0.033 0.000 2.756 237 N HA -0.185 4.555 4.740 -0.000 0.000 0.248 237 N C -0.721 174.738 175.510 -0.084 0.000 1.062 237 N CA 0.854 53.874 53.050 -0.050 0.000 0.696 237 N CB -0.784 37.677 38.487 -0.045 0.000 0.946 237 N HN 0.625 nan 8.380 nan 0.000 0.548 238 T N -1.232 113.274 114.554 -0.081 0.000 2.853 238 T HA 0.263 4.613 4.350 -0.000 0.000 0.311 238 T C -1.262 173.414 174.700 -0.041 0.000 1.307 238 T CA -0.646 61.377 62.100 -0.128 0.000 1.019 238 T CB 1.081 69.872 68.868 -0.129 0.000 1.264 238 T HN 0.323 nan 8.240 nan 0.000 0.497 239 H N 2.904 121.915 119.070 -0.098 0.000 2.764 239 H HA 0.304 4.860 4.556 -0.000 0.000 0.341 239 H C -1.645 173.730 175.328 0.078 0.000 1.072 239 H CA -0.950 55.105 56.048 0.012 0.000 1.444 239 H CB 1.478 31.270 29.762 0.050 0.000 1.458 239 H HN 0.320 nan 8.280 nan 0.000 0.572 240 P HA -0.167 nan 4.420 nan 0.000 0.216 240 P C 0.392 177.789 177.300 0.162 0.000 1.150 240 P CA 1.600 64.702 63.100 0.003 0.000 0.843 240 P CB 0.285 31.920 31.700 -0.110 0.000 0.787 241 E N -2.874 117.549 120.200 0.372 0.000 2.400 241 E HA -0.103 4.247 4.350 -0.000 0.000 0.195 241 E C 1.588 178.321 176.600 0.221 0.000 1.012 241 E CA -0.067 56.495 56.400 0.271 0.000 0.875 241 E CB -0.448 29.403 29.700 0.252 0.000 0.859 241 E HN 0.263 nan 8.360 nan 0.000 0.498 242 Y N 2.309 122.704 120.300 0.158 0.000 2.030 242 Y HA -0.393 4.157 4.550 -0.000 0.000 0.272 242 Y C 2.373 178.292 175.900 0.031 0.000 1.185 242 Y CA 2.071 60.210 58.100 0.065 0.000 1.120 242 Y CB -0.598 37.914 38.460 0.086 0.000 0.955 242 Y HN 0.036 nan 8.280 nan 0.000 0.495 243 A N 0.718 123.574 122.820 0.060 0.000 1.892 243 A HA -0.316 4.004 4.320 -0.000 0.000 0.218 243 A C 2.163 179.691 177.584 -0.094 0.000 1.188 243 A CA 2.889 54.893 52.037 -0.054 0.000 0.631 243 A CB -0.822 18.205 19.000 0.045 0.000 0.822 243 A HN 0.681 nan 8.150 nan 0.000 0.447 244 R N -0.374 120.107 120.500 -0.031 0.000 2.115 244 R HA 0.047 4.387 4.340 -0.000 0.000 0.226 244 R C 1.994 178.261 176.300 -0.056 0.000 1.100 244 R CA 1.424 57.508 56.100 -0.026 0.000 0.980 244 R CB -0.508 29.797 30.300 0.009 0.000 0.875 244 R HN 0.513 nan 8.270 nan 0.000 0.445 245 R N 0.421 120.872 120.500 -0.081 0.000 2.073 245 R HA 0.011 4.351 4.340 -0.000 0.000 0.229 245 R C 2.259 178.466 176.300 -0.155 0.000 1.120 245 R CA 1.288 57.331 56.100 -0.096 0.000 0.967 245 R CB -0.572 29.679 30.300 -0.081 0.000 0.862 245 R HN 0.147 nan 8.270 nan 0.000 0.436 246 V N 0.936 120.680 119.914 -0.284 0.000 2.667 246 V HA -0.108 4.012 4.120 -0.000 0.000 0.252 246 V C 2.071 178.047 176.094 -0.197 0.000 1.065 246 V CA 1.789 63.906 62.300 -0.305 0.000 1.083 246 V CB -0.113 31.384 31.823 -0.544 0.000 0.692 246 V HN 0.384 nan 8.190 nan 0.000 0.468 247 A N -0.616 122.113 122.820 -0.151 0.000 1.929 247 A HA -0.169 4.151 4.320 -0.000 0.000 0.216 247 A C 1.950 179.521 177.584 -0.021 0.000 1.176 247 A CA 1.742 53.735 52.037 -0.074 0.000 0.628 247 A CB -0.551 18.431 19.000 -0.029 0.000 0.816 247 A HN 0.587 nan 8.150 nan 0.000 0.444 248 D N -0.575 119.807 120.400 -0.030 0.000 2.117 248 D HA -0.112 4.528 4.640 -0.000 0.000 0.198 248 D C 1.921 178.216 176.300 -0.008 0.000 0.982 248 D CA 1.537 55.535 54.000 -0.003 0.000 0.828 248 D CB -0.234 40.559 40.800 -0.011 0.000 0.967 248 D HN 0.533 nan 8.370 nan 0.000 0.464 249 E N 1.010 121.184 120.200 -0.044 0.000 2.038 249 E HA -0.119 4.231 4.350 -0.000 0.000 0.195 249 E C 2.243 178.819 176.600 -0.041 0.000 1.000 249 E CA 0.811 57.184 56.400 -0.046 0.000 0.803 249 E CB -0.541 29.116 29.700 -0.072 0.000 0.750 249 E HN 0.204 nan 8.360 nan 0.000 0.448 250 L N -0.103 121.072 121.223 -0.080 0.000 2.079 250 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 250 L C 2.458 179.341 176.870 0.020 0.000 1.081 250 L CA 1.240 56.008 54.840 -0.120 0.000 0.752 250 L CB -0.516 41.359 42.059 -0.307 0.000 0.896 250 L HN 0.268 nan 8.230 nan 0.000 0.433 251 A N -0.763 122.124 122.820 0.111 0.000 1.930 251 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 251 A C 2.258 179.916 177.584 0.124 0.000 1.175 251 A CA 1.637 53.806 52.037 0.219 0.000 0.627 251 A CB -0.616 18.484 19.000 0.166 0.000 0.815 251 A HN 0.224 nan 8.150 nan 0.000 0.443 252 V N 0.213 120.165 119.914 0.064 0.000 2.379 252 V HA -0.213 3.907 4.120 -0.000 0.000 0.245 252 V C 2.385 178.501 176.094 0.038 0.000 1.044 252 V CA 1.838 64.162 62.300 0.039 0.000 1.036 252 V CB -0.668 31.165 31.823 0.017 0.000 0.664 252 V HN 0.568 nan 8.190 nan 0.000 0.453 253 I N 1.186 121.774 120.570 0.031 0.000 2.252 253 I HA -0.181 3.989 4.170 -0.000 0.000 0.245 253 I C 2.491 178.636 176.117 0.047 0.000 1.102 253 I CA 2.037 63.351 61.300 0.023 0.000 1.385 253 I CB -0.680 37.319 38.000 -0.000 0.000 1.064 253 I HN 0.489 nan 8.210 nan 0.000 0.414 254 T N -3.385 111.222 114.554 0.088 0.000 3.081 254 T HA 0.037 4.387 4.350 -0.000 0.000 0.250 254 T C 1.184 175.957 174.700 0.121 0.000 1.100 254 T CA 0.247 62.426 62.100 0.133 0.000 1.038 254 T CB -0.499 68.521 68.868 0.253 0.000 0.962 254 T HN 0.419 nan 8.240 nan 0.000 0.516 255 C N 1.291 120.650 119.300 0.097 0.000 4.297 255 C HA 0.020 4.480 4.460 -0.000 0.000 0.290 255 C C 1.100 176.109 174.990 0.031 0.000 1.444 255 C CA -0.138 58.913 59.018 0.056 0.000 1.982 255 C CB -2.910 24.850 27.740 0.034 0.000 1.276 255 C HN 1.022 nan 8.230 nan 0.000 0.797 256 A N 0.616 123.468 122.820 0.053 0.000 2.337 256 A HA 0.743 5.063 4.320 -0.000 0.000 0.329 256 A C -1.613 175.849 177.584 -0.203 0.000 1.146 256 A CA -1.354 50.599 52.037 -0.139 0.000 0.800 256 A CB 0.856 19.672 19.000 -0.306 0.000 1.220 256 A HN 0.261 nan 8.150 nan 0.000 0.472 257 P HA 0.074 nan 4.420 nan 0.000 0.238 257 P C -0.899 176.274 177.300 -0.211 0.000 1.679 257 P CA 0.371 63.371 63.100 -0.166 0.000 1.080 257 P CB -0.733 30.889 31.700 -0.131 0.000 1.961 258 F N 1.710 121.663 119.950 0.006 0.000 2.399 258 F HA 0.258 4.785 4.527 0.000 0.000 0.342 258 F C 1.285 177.087 175.800 0.004 0.000 1.106 258 F CA -0.219 57.786 58.000 0.008 0.000 1.196 258 F CB 1.088 40.089 39.000 0.002 0.000 1.163 258 F HN 0.044 nan 8.300 nan 0.000 0.547 259 V N -0.840 119.204 119.914 0.217 0.000 3.159 259 V HA 0.609 4.729 4.120 -0.000 0.000 0.308 259 V C -0.456 175.704 176.094 0.109 0.000 1.190 259 V CA -0.902 61.469 62.300 0.118 0.000 1.037 259 V CB 1.408 33.273 31.823 0.070 0.000 1.060 259 V HN 0.663 nan 8.190 nan 0.000 0.437 260 T N 2.135 116.725 114.554 0.061 0.000 2.869 260 T HA 0.604 4.954 4.350 -0.000 0.000 0.295 260 T C 0.464 175.193 174.700 0.048 0.000 0.987 260 T CA 0.446 62.570 62.100 0.040 0.000 1.109 260 T CB 0.528 69.403 68.868 0.012 0.000 0.932 260 T HN 1.773 nan 8.240 nan 0.000 0.518 261 A N 8.009 130.860 122.820 0.051 0.000 2.537 261 A HA 0.277 4.597 4.320 -0.000 0.000 0.260 261 A C -0.612 176.995 177.584 0.039 0.000 1.082 261 A CA -0.982 51.089 52.037 0.056 0.000 0.765 261 A CB -0.065 18.972 19.000 0.061 0.000 1.019 261 A HN 0.774 nan 8.150 nan 0.000 0.507 262 P HA -0.155 nan 4.420 nan 0.000 0.220 262 P C 0.145 177.480 177.300 0.057 0.000 1.144 262 P CA 1.402 64.524 63.100 0.036 0.000 0.800 262 P CB -0.052 31.661 31.700 0.021 0.000 0.772 263 N N -1.015 117.726 118.700 0.067 0.000 2.533 263 N HA 0.193 4.933 4.740 -0.000 0.000 0.289 263 N C 0.654 176.208 175.510 0.073 0.000 1.103 263 N CA -0.480 52.641 53.050 0.119 0.000 0.877 263 N CB 1.082 39.657 38.487 0.147 0.000 1.419 263 N HN -0.451 nan 8.380 nan 0.000 0.517 264 K N 1.895 122.270 120.400 -0.043 0.000 2.155 264 K HA 0.132 4.452 4.320 -0.000 0.000 0.203 264 K C 0.634 177.079 176.600 -0.259 0.000 1.052 264 K CA 1.237 57.394 56.287 -0.217 0.000 0.948 264 K CB -0.104 32.164 32.500 -0.386 0.000 0.728 264 K HN 0.531 nan 8.250 nan 0.000 0.448 265 F N 1.104 121.083 119.950 0.048 0.000 2.171 265 F HA -0.113 4.414 4.527 -0.000 0.000 0.300 265 F C 2.303 178.138 175.800 0.057 0.000 1.090 265 F CA 1.144 59.175 58.000 0.052 0.000 1.293 265 F CB -0.278 38.752 39.000 0.049 0.000 1.013 265 F HN 0.129 nan 8.300 nan 0.000 0.486 266 E N 0.977 121.305 120.200 0.214 0.000 2.152 266 E HA -0.119 4.231 4.350 -0.000 0.000 0.192 266 E C 2.230 178.907 176.600 0.127 0.000 0.983 266 E CA 0.984 57.480 56.400 0.160 0.000 0.818 266 E CB -0.103 29.687 29.700 0.150 0.000 0.758 266 E HN 0.321 nan 8.360 nan 0.000 0.467 267 A N 0.644 123.518 122.820 0.090 0.000 1.929 267 A HA -0.072 4.248 4.320 -0.000 0.000 0.216 267 A C 2.151 179.744 177.584 0.014 0.000 1.176 267 A CA 0.798 52.870 52.037 0.058 0.000 0.628 267 A CB -0.331 18.682 19.000 0.022 0.000 0.816 267 A HN 0.263 nan 8.150 nan 0.000 0.444 268 L N -1.139 120.086 121.223 0.004 0.000 2.209 268 L HA 0.151 4.491 4.340 -0.000 0.000 0.207 268 L C 2.604 179.507 176.870 0.054 0.000 1.094 268 L CA 1.416 56.260 54.840 0.006 0.000 0.790 268 L CB -0.218 41.823 42.059 -0.030 0.000 0.932 268 L HN 0.338 nan 8.230 nan 0.000 0.447 269 A N -1.769 121.104 122.820 0.087 0.000 2.218 269 A HA 0.227 4.547 4.320 -0.000 0.000 0.209 269 A C 0.909 178.545 177.584 0.087 0.000 1.168 269 A CA 0.916 53.015 52.037 0.104 0.000 0.804 269 A CB -0.588 18.491 19.000 0.132 0.000 0.834 269 A HN 0.386 nan 8.150 nan 0.000 0.482 270 T N -6.302 108.300 114.554 0.081 0.000 2.841 270 T HA 0.374 4.724 4.350 -0.000 0.000 0.296 270 T C -0.240 174.500 174.700 0.066 0.000 1.166 270 T CA -0.250 61.892 62.100 0.071 0.000 1.007 270 T CB 1.349 70.260 68.868 0.072 0.000 1.253 270 T HN 0.031 nan 8.240 nan 0.000 0.511 271 C N 1.116 120.447 119.300 0.052 0.000 2.994 271 C HA 0.309 4.769 4.460 -0.000 0.000 0.284 271 C C 1.685 176.675 174.990 -0.001 0.000 1.404 271 C CA -0.414 58.630 59.018 0.043 0.000 1.775 271 C CB -1.536 26.232 27.740 0.047 0.000 2.458 271 C HN 0.916 nan 8.230 nan 0.000 0.593 272 D N 2.379 122.779 120.400 0.000 0.000 2.149 272 D HA -0.175 4.465 4.640 -0.000 0.000 0.194 272 D C 2.199 178.377 176.300 -0.203 0.000 1.001 272 D CA 1.934 55.913 54.000 -0.036 0.000 0.849 272 D CB -0.273 40.559 40.800 0.053 0.000 0.939 272 D HN 0.521 nan 8.370 nan 0.000 0.449 273 A N 0.460 123.027 122.820 -0.422 0.000 1.917 273 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 273 A C 2.378 179.704 177.584 -0.431 0.000 1.182 273 A CA 1.204 52.744 52.037 -0.828 0.000 0.633 273 A CB -0.726 17.840 19.000 -0.724 0.000 0.819 273 A HN 0.268 nan 8.150 nan 0.000 0.448 274 L N -0.821 120.226 121.223 -0.293 0.000 2.209 274 L HA -0.060 4.280 4.340 -0.000 0.000 0.207 274 L C 2.369 179.221 176.870 -0.030 0.000 1.094 274 L CA 0.441 55.105 54.840 -0.293 0.000 0.790 274 L CB -0.411 41.408 42.059 -0.399 0.000 0.932 274 L HN 0.217 nan 8.230 nan 0.000 0.447 275 V N -0.388 119.513 119.914 -0.022 0.000 2.407 275 V HA -0.238 3.882 4.120 -0.000 0.000 0.248 275 V C 2.524 178.666 176.094 0.079 0.000 1.055 275 V CA 1.476 63.803 62.300 0.045 0.000 1.049 275 V CB -0.422 31.410 31.823 0.014 0.000 0.662 275 V HN 0.475 nan 8.190 nan 0.000 0.455 276 Q N -0.386 119.433 119.800 0.031 0.000 2.137 276 Q HA 0.009 4.349 4.340 -0.000 0.000 0.198 276 Q C 2.469 178.527 176.000 0.097 0.000 0.960 276 Q CA 1.574 57.412 55.803 0.059 0.000 0.847 276 Q CB -0.420 28.344 28.738 0.043 0.000 0.915 276 Q HN 0.630 nan 8.270 nan 0.000 0.448 277 A N 0.281 123.161 122.820 0.100 0.000 1.877 277 A HA -0.227 4.093 4.320 -0.000 0.000 0.216 277 A C 1.856 179.603 177.584 0.271 0.000 1.186 277 A CA 1.904 54.051 52.037 0.185 0.000 0.620 277 A CB -0.861 18.256 19.000 0.194 0.000 0.822 277 A HN 0.421 nan 8.150 nan 0.000 0.443 278 H N -0.544 118.700 119.070 0.289 0.000 2.491 278 H HA 0.031 4.587 4.556 -0.000 0.000 0.290 278 H C 2.078 177.447 175.328 0.068 0.000 1.050 278 H CA 1.276 57.436 56.048 0.187 0.000 1.309 278 H CB -0.256 29.646 29.762 0.234 0.000 1.392 278 H HN 0.406 nan 8.280 nan 0.000 0.554 279 G N -0.391 108.499 108.800 0.149 0.000 2.432 279 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.219 279 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.219 279 G C 1.778 176.671 174.900 -0.011 0.000 1.135 279 G CA 0.623 45.764 45.100 0.068 0.000 0.767 279 G HN 0.535 nan 8.290 nan 0.000 0.550 280 A N 0.264 123.081 122.820 -0.005 0.000 1.970 280 A HA 0.277 4.597 4.320 -0.000 0.000 0.216 280 A C 2.366 179.884 177.584 -0.111 0.000 1.170 280 A CA 0.697 52.715 52.037 -0.033 0.000 0.645 280 A CB -0.204 18.817 19.000 0.035 0.000 0.816 280 A HN 0.338 nan 8.150 nan 0.000 0.447 281 L N -0.216 120.884 121.223 -0.205 0.000 2.072 281 L HA -0.176 4.164 4.340 -0.000 0.000 0.205 281 L C 2.505 179.191 176.870 -0.307 0.000 1.079 281 L CA 1.820 56.458 54.840 -0.336 0.000 0.752 281 L CB -0.509 41.174 42.059 -0.628 0.000 0.906 281 L HN 0.507 nan 8.230 nan 0.000 0.436 282 K N 0.653 120.877 120.400 -0.293 0.000 2.362 282 K HA -0.045 4.275 4.320 -0.000 0.000 0.200 282 K C 1.753 178.285 176.600 -0.113 0.000 1.046 282 K CA 1.305 57.499 56.287 -0.155 0.000 0.952 282 K CB -0.841 31.635 32.500 -0.040 0.000 0.753 282 K HN 0.155 nan 8.250 nan 0.000 0.466 283 G N 1.324 110.050 108.800 -0.124 0.000 2.404 283 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.213 283 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.213 283 G C 1.370 176.205 174.900 -0.109 0.000 1.189 283 G CA 0.544 45.573 45.100 -0.119 0.000 0.796 283 G HN 0.271 nan 8.290 nan 0.000 0.532 284 L N 1.549 122.705 121.223 -0.111 0.000 2.079 284 L HA 0.086 4.426 4.340 -0.000 0.000 0.210 284 L C 3.019 179.821 176.870 -0.114 0.000 1.081 284 L CA 2.131 56.912 54.840 -0.098 0.000 0.752 284 L CB -0.612 41.386 42.059 -0.101 0.000 0.896 284 L HN 0.246 nan 8.230 nan 0.000 0.433 285 A N -0.271 122.472 122.820 -0.128 0.000 1.865 285 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 285 A C 2.486 180.007 177.584 -0.105 0.000 1.191 285 A CA 2.141 54.105 52.037 -0.123 0.000 0.623 285 A CB -1.350 17.580 19.000 -0.117 0.000 0.826 285 A HN 0.592 nan 8.150 nan 0.000 0.444 286 A N -0.846 121.920 122.820 -0.089 0.000 1.940 286 A HA -0.075 4.245 4.320 -0.000 0.000 0.219 286 A C 2.445 179.983 177.584 -0.076 0.000 1.176 286 A CA 2.162 54.155 52.037 -0.073 0.000 0.631 286 A CB -0.788 18.174 19.000 -0.062 0.000 0.814 286 A HN 0.465 nan 8.150 nan 0.000 0.446 287 S N -0.234 115.418 115.700 -0.081 0.000 2.345 287 S HA -0.048 4.422 4.470 -0.000 0.000 0.220 287 S C 1.838 176.367 174.600 -0.118 0.000 1.031 287 S CA 1.325 59.481 58.200 -0.072 0.000 0.996 287 S CB -0.448 62.722 63.200 -0.049 0.000 0.882 287 S HN 0.522 nan 8.310 nan 0.000 0.445 288 L N 0.773 121.905 121.223 -0.152 0.000 2.079 288 L HA -0.168 4.172 4.340 -0.000 0.000 0.210 288 L C 2.561 179.276 176.870 -0.258 0.000 1.081 288 L CA 1.322 56.018 54.840 -0.239 0.000 0.752 288 L CB -0.499 41.411 42.059 -0.248 0.000 0.896 288 L HN 0.359 nan 8.230 nan 0.000 0.433 289 M N -0.183 119.311 119.600 -0.177 0.000 2.106 289 M HA -0.239 4.241 4.480 -0.000 0.000 0.259 289 M C 2.258 178.485 176.300 -0.122 0.000 1.068 289 M CA 1.834 57.051 55.300 -0.138 0.000 1.100 289 M CB -0.250 32.299 32.600 -0.086 0.000 1.351 289 M HN -0.096 nan 8.290 nan 0.000 0.404 290 K N 0.339 120.674 120.400 -0.109 0.000 2.057 290 K HA -0.031 4.289 4.320 -0.000 0.000 0.206 290 K C 1.912 178.415 176.600 -0.161 0.000 1.050 290 K CA 1.681 57.924 56.287 -0.073 0.000 0.935 290 K CB -0.550 31.932 32.500 -0.029 0.000 0.715 290 K HN 0.530 nan 8.250 nan 0.000 0.439 291 I N 0.611 120.992 120.570 -0.315 0.000 2.315 291 I HA -0.241 3.929 4.170 -0.000 0.000 0.248 291 I C 2.351 178.149 176.117 -0.532 0.000 1.117 291 I CA 1.038 61.951 61.300 -0.646 0.000 1.404 291 I CB -0.303 37.320 38.000 -0.627 0.000 1.071 291 I HN 0.050 nan 8.210 nan 0.000 0.419 292 A N 1.020 123.608 122.820 -0.387 0.000 1.897 292 A HA -0.180 4.140 4.320 -0.000 0.000 0.215 292 A C 2.026 179.551 177.584 -0.098 0.000 1.181 292 A CA 1.818 53.687 52.037 -0.279 0.000 0.620 292 A CB -0.875 17.937 19.000 -0.313 0.000 0.821 292 A HN 0.450 nan 8.150 nan 0.000 0.443 293 N N -0.292 118.382 118.700 -0.043 0.000 2.244 293 N HA -0.124 4.616 4.740 -0.000 0.000 0.183 293 N C 0.997 176.653 175.510 0.244 0.000 1.016 293 N CA 1.038 54.159 53.050 0.119 0.000 0.866 293 N CB -0.133 38.471 38.487 0.194 0.000 0.980 293 N HN 0.356 nan 8.380 nan 0.000 0.430 294 D N 0.210 120.690 120.400 0.134 0.000 2.144 294 D HA -0.082 4.558 4.640 -0.000 0.000 0.199 294 D C 1.959 178.400 176.300 0.234 0.000 0.984 294 D CA 0.566 54.705 54.000 0.232 0.000 0.834 294 D CB -0.162 40.806 40.800 0.279 0.000 0.955 294 D HN -0.001 nan 8.370 nan 0.000 0.465 295 V N 1.492 121.454 119.914 0.080 0.000 2.270 295 V HA -0.239 3.881 4.120 -0.000 0.000 0.245 295 V C 2.467 178.626 176.094 0.109 0.000 1.043 295 V CA 2.112 64.479 62.300 0.112 0.000 1.014 295 V CB -0.478 31.394 31.823 0.081 0.000 0.645 295 V HN 0.280 nan 8.190 nan 0.000 0.447 296 R N -1.077 119.451 120.500 0.046 0.000 2.115 296 R HA -0.173 4.167 4.340 -0.000 0.000 0.230 296 R C 2.081 178.329 176.300 -0.087 0.000 1.111 296 R CA 1.828 57.892 56.100 -0.060 0.000 0.976 296 R CB -0.750 29.449 30.300 -0.168 0.000 0.870 296 R HN 0.523 nan 8.270 nan 0.000 0.445 297 W N 1.422 122.750 121.300 0.046 0.000 2.409 297 W HA 0.112 4.772 4.660 -0.000 0.000 0.299 297 W C 2.011 178.565 176.519 0.057 0.000 1.203 297 W CA 0.408 57.781 57.345 0.047 0.000 1.298 297 W CB -0.058 29.431 29.460 0.049 0.000 1.127 297 W HN -0.057 nan 8.180 nan 0.000 0.528 298 L N -0.237 121.169 121.223 0.304 0.000 2.275 298 L HA -0.084 4.256 4.340 -0.000 0.000 0.215 298 L C 2.193 179.148 176.870 0.141 0.000 1.119 298 L CA 1.018 55.986 54.840 0.215 0.000 0.790 298 L CB -0.733 41.459 42.059 0.223 0.000 0.919 298 L HN -0.001 nan 8.230 nan 0.000 0.443 299 A N -0.742 122.143 122.820 0.108 0.000 2.348 299 A HA 0.123 4.443 4.320 -0.000 0.000 0.224 299 A C 1.128 178.728 177.584 0.027 0.000 1.227 299 A CA 0.001 52.071 52.037 0.056 0.000 0.885 299 A CB -0.102 18.921 19.000 0.038 0.000 0.933 299 A HN 0.349 nan 8.150 nan 0.000 0.506 300 S N -0.682 115.039 115.700 0.035 0.000 2.560 300 S HA 0.579 5.049 4.470 -0.000 0.000 0.284 300 S C 0.630 175.248 174.600 0.029 0.000 1.327 300 S CA 0.360 58.559 58.200 -0.001 0.000 1.055 300 S CB 1.176 64.374 63.200 -0.003 0.000 0.868 300 S HN 1.572 nan 8.310 nan 0.000 0.506 301 G N 1.921 110.724 108.800 0.006 0.000 2.530 301 G HA2 0.221 4.181 3.960 -0.000 0.000 0.081 301 G HA3 0.221 4.181 3.960 -0.000 0.000 0.081 301 G C -2.289 172.613 174.900 0.003 0.000 1.062 301 G CA -0.089 45.022 45.100 0.017 0.000 1.108 301 G HN 0.615 nan 8.290 nan 0.000 0.466 302 P HA 0.216 nan 4.420 nan 0.000 0.245 302 P C 0.945 178.254 177.300 0.015 0.000 1.206 302 P CA 0.526 63.632 63.100 0.009 0.000 0.781 302 P CB 0.436 32.138 31.700 0.003 0.000 0.994 303 R N -0.755 119.755 120.500 0.016 0.000 2.225 303 R HA 0.182 4.521 4.340 -0.000 0.000 0.194 303 R C 1.293 177.609 176.300 0.027 0.000 0.949 303 R CA 0.597 56.709 56.100 0.019 0.000 1.088 303 R CB -0.681 29.627 30.300 0.014 0.000 1.106 303 R HN 0.151 nan 8.270 nan 0.000 0.566 304 C N 1.269 120.587 119.300 0.031 0.000 2.492 304 C HA 0.565 5.025 4.460 -0.000 0.000 0.317 304 C C 1.107 176.135 174.990 0.063 0.000 1.347 304 C CA -0.778 58.265 59.018 0.041 0.000 1.759 304 C CB -0.563 27.198 27.740 0.036 0.000 2.127 304 C HN 0.423 nan 8.230 nan 0.000 0.579 305 G N 0.049 108.890 108.800 0.069 0.000 3.257 305 G HA2 0.584 4.544 3.960 -0.000 0.000 0.205 305 G HA3 0.584 4.544 3.960 -0.000 0.000 0.205 305 G C 0.480 175.444 174.900 0.107 0.000 1.234 305 G CA -0.346 44.818 45.100 0.107 0.000 0.918 305 G HN 0.119 nan 8.290 nan 0.000 0.602 306 I N 0.512 121.165 120.570 0.138 0.000 2.296 306 I HA 0.145 4.315 4.170 -0.000 0.000 0.242 306 I C 2.213 178.380 176.117 0.084 0.000 1.087 306 I CA 1.106 62.477 61.300 0.118 0.000 1.393 306 I CB -0.304 37.792 38.000 0.160 0.000 1.093 306 I HN 0.739 nan 8.210 nan 0.000 0.421 307 G N 1.556 110.406 108.800 0.083 0.000 2.283 307 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.280 307 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.280 307 G C 0.618 175.541 174.900 0.039 0.000 1.029 307 G CA 0.705 45.837 45.100 0.053 0.000 0.840 307 G HN 0.511 nan 8.290 nan 0.000 0.505 308 E N -0.870 119.360 120.200 0.050 0.000 2.274 308 E HA 0.135 4.485 4.350 -0.000 0.000 0.194 308 E C 1.629 178.230 176.600 0.000 0.000 0.996 308 E CA 1.060 57.475 56.400 0.025 0.000 0.840 308 E CB 0.089 29.812 29.700 0.038 0.000 0.772 308 E HN 0.925 nan 8.360 nan 0.000 0.491 309 I N -4.028 116.556 120.570 0.023 0.000 3.145 309 I HA 0.539 4.709 4.170 -0.000 0.000 0.313 309 I C -0.563 175.560 176.117 0.011 0.000 1.122 309 I CA -1.142 60.161 61.300 0.004 0.000 0.987 309 I CB 2.357 40.387 38.000 0.051 0.000 1.236 309 I HN -0.341 nan 8.210 nan 0.000 0.453 310 S N 2.799 118.501 115.700 0.003 0.000 2.532 310 S HA 0.751 5.221 4.470 -0.000 0.000 0.299 310 S C -0.672 173.937 174.600 0.015 0.000 1.105 310 S CA -0.754 57.449 58.200 0.006 0.000 1.018 310 S CB 1.121 64.318 63.200 -0.004 0.000 1.021 310 S HN 0.646 nan 8.310 nan 0.000 0.483 311 I N 1.683 122.258 120.570 0.009 0.000 2.603 311 I HA 0.687 4.857 4.170 -0.000 0.000 0.300 311 I C -2.728 173.385 176.117 -0.006 0.000 1.017 311 I CA -2.889 58.410 61.300 -0.000 0.000 1.098 311 I CB 1.293 39.287 38.000 -0.009 0.000 1.279 311 I HN 0.335 nan 8.210 nan 0.000 0.437 312 P HA 0.033 nan 4.420 nan 0.000 0.266 312 P C -0.912 176.381 177.300 -0.011 0.000 1.195 312 P CA 0.103 63.200 63.100 -0.005 0.000 0.768 312 P CB 0.435 32.135 31.700 -0.000 0.000 0.838 313 E N 2.632 122.826 120.200 -0.010 0.000 2.044 313 E HA 0.074 4.424 4.350 -0.000 0.000 0.282 313 E C 0.329 176.915 176.600 -0.023 0.000 1.031 313 E CA -0.328 56.062 56.400 -0.017 0.000 0.824 313 E CB 0.142 29.834 29.700 -0.014 0.000 1.076 313 E HN 0.278 nan 8.360 nan 0.000 0.395 314 N N 2.846 121.523 118.700 -0.038 0.000 2.368 314 N HA -0.042 4.698 4.740 -0.000 0.000 0.178 314 N C 0.509 175.982 175.510 -0.062 0.000 1.021 314 N CA 0.577 53.589 53.050 -0.064 0.000 0.875 314 N CB -0.079 38.341 38.487 -0.112 0.000 1.020 314 N HN 0.594 nan 8.380 nan 0.000 0.433 315 Q N 2.547 122.317 119.800 -0.051 0.000 2.260 315 Q HA 0.464 4.804 4.340 -0.000 0.000 0.238 315 Q C -2.134 173.848 176.000 -0.031 0.000 0.948 315 Q CA -1.559 54.218 55.803 -0.043 0.000 0.895 315 Q CB -0.696 28.018 28.738 -0.039 0.000 1.218 315 Q HN 0.160 nan 8.270 nan 0.000 0.470 322 P HA 0.238 nan 4.420 nan 0.000 0.222 322 P C 0.953 178.250 177.300 -0.006 0.000 1.157 322 P CA 1.367 64.464 63.100 -0.005 0.000 0.816 322 P CB 0.320 32.018 31.700 -0.004 0.000 0.813 323 G N 0.337 109.133 108.800 -0.005 0.000 3.805 323 G HA2 0.072 4.032 3.960 -0.000 0.000 0.290 323 G HA3 0.072 4.032 3.960 -0.000 0.000 0.290 323 G C 0.234 175.129 174.900 -0.009 0.000 1.077 323 G CA -0.340 44.757 45.100 -0.006 0.000 0.852 323 G HN 0.229 nan 8.290 nan 0.000 0.531 324 K N 1.435 121.828 120.400 -0.011 0.000 2.171 324 K HA 0.354 4.674 4.320 -0.000 0.000 0.274 324 K C -0.637 175.951 176.600 -0.019 0.000 1.110 324 K CA -0.203 56.075 56.287 -0.016 0.000 0.952 324 K CB 0.410 32.901 32.500 -0.016 0.000 1.309 324 K HN -0.053 nan 8.250 nan 0.000 0.414 325 V N 5.111 125.013 119.914 -0.021 0.000 2.318 325 V HA 0.111 4.231 4.120 -0.000 0.000 0.271 325 V C -0.269 175.806 176.094 -0.032 0.000 1.030 325 V CA -1.058 61.228 62.300 -0.023 0.000 0.844 325 V CB 0.738 32.550 31.823 -0.018 0.000 1.015 325 V HN 0.680 nan 8.190 nan 0.000 0.460 326 N N 7.094 125.773 118.700 -0.035 0.000 2.470 326 N HA 0.232 4.972 4.740 -0.000 0.000 0.268 326 N C -2.079 173.407 175.510 -0.041 0.000 1.136 326 N CA -1.521 51.503 53.050 -0.045 0.000 0.961 326 N CB 1.151 39.613 38.487 -0.042 0.000 1.067 326 N HN 0.412 nan 8.380 nan 0.000 0.468 327 P HA 0.056 nan 4.420 nan 0.000 0.237 327 P C 0.567 177.855 177.300 -0.020 0.000 1.788 327 P CA -0.118 62.962 63.100 -0.032 0.000 1.061 327 P CB -0.426 31.242 31.700 -0.053 0.000 1.967 328 T N -1.539 113.006 114.554 -0.014 0.000 2.867 328 T HA -0.157 4.193 4.350 -0.000 0.000 0.268 328 T C 1.719 176.432 174.700 0.022 0.000 1.057 328 T CA 0.875 62.970 62.100 -0.008 0.000 1.136 328 T CB -0.389 68.467 68.868 -0.019 0.000 0.874 328 T HN 0.092 nan 8.240 nan 0.000 0.466 329 Q N 0.269 120.102 119.800 0.056 0.000 2.167 329 Q HA 0.036 4.376 4.340 -0.000 0.000 0.202 329 Q C 2.649 178.762 176.000 0.190 0.000 0.970 329 Q CA 0.963 56.847 55.803 0.135 0.000 0.855 329 Q CB -0.868 27.967 28.738 0.161 0.000 0.911 329 Q HN 0.625 nan 8.270 nan 0.000 0.438 330 C N 0.760 120.151 119.300 0.152 0.000 2.450 330 C HA -0.056 4.404 4.460 -0.000 0.000 0.279 330 C C 2.410 177.396 174.990 -0.005 0.000 1.335 330 C CA 0.338 59.409 59.018 0.089 0.000 1.749 330 C CB -0.542 27.235 27.740 0.063 0.000 1.963 330 C HN 0.545 nan 8.230 nan 0.000 0.501 331 E N 1.053 121.249 120.200 -0.006 0.000 2.152 331 E HA -0.092 4.258 4.350 -0.000 0.000 0.192 331 E C 2.301 178.889 176.600 -0.020 0.000 0.983 331 E CA 1.184 57.569 56.400 -0.026 0.000 0.818 331 E CB -0.164 29.518 29.700 -0.029 0.000 0.758 331 E HN 0.671 nan 8.360 nan 0.000 0.467 332 A N 1.034 123.853 122.820 -0.002 0.000 1.897 332 A HA -0.103 4.217 4.320 -0.000 0.000 0.215 332 A C 2.108 179.678 177.584 -0.024 0.000 1.181 332 A CA 0.681 52.717 52.037 -0.003 0.000 0.620 332 A CB -0.353 18.659 19.000 0.020 0.000 0.821 332 A HN 0.189 nan 8.150 nan 0.000 0.443 333 L N 0.576 121.774 121.223 -0.042 0.000 2.027 333 L HA -0.113 4.227 4.340 -0.000 0.000 0.206 333 L C 2.772 179.569 176.870 -0.122 0.000 1.074 333 L CA 2.901 57.672 54.840 -0.115 0.000 0.745 333 L CB -0.948 40.964 42.059 -0.246 0.000 0.898 333 L HN 0.565 nan 8.230 nan 0.000 0.433 334 T N -3.687 110.804 114.554 -0.104 0.000 2.867 334 T HA -0.213 4.137 4.350 -0.000 0.000 0.268 334 T C 1.929 176.596 174.700 -0.056 0.000 1.057 334 T CA 1.581 63.631 62.100 -0.084 0.000 1.136 334 T CB -0.464 68.365 68.868 -0.064 0.000 0.874 334 T HN 0.308 nan 8.240 nan 0.000 0.466 335 M N 1.021 120.595 119.600 -0.043 0.000 2.175 335 M HA 0.100 4.580 4.480 -0.000 0.000 0.264 335 M C 2.225 178.508 176.300 -0.028 0.000 1.063 335 M CA 1.405 56.688 55.300 -0.028 0.000 1.119 335 M CB -0.494 32.095 32.600 -0.019 0.000 1.377 335 M HN 0.405 nan 8.290 nan 0.000 0.415 336 L N -2.596 118.603 121.223 -0.039 0.000 2.313 336 L HA 0.024 4.364 4.340 -0.000 0.000 0.214 336 L C 2.118 178.958 176.870 -0.051 0.000 1.119 336 L CA 1.196 56.012 54.840 -0.040 0.000 0.809 336 L CB -1.423 40.609 42.059 -0.045 0.000 0.933 336 L HN 0.143 nan 8.230 nan 0.000 0.449 337 C N -0.574 118.687 119.300 -0.066 0.000 2.435 337 C HA -0.074 4.386 4.460 -0.000 0.000 0.279 337 C C 2.927 177.890 174.990 -0.044 0.000 1.321 337 C CA 0.736 59.711 59.018 -0.072 0.000 1.752 337 C CB -1.303 26.382 27.740 -0.092 0.000 1.959 337 C HN 0.806 nan 8.230 nan 0.000 0.500 338 C N -0.575 118.707 119.300 -0.031 0.000 2.440 338 C HA -0.098 4.362 4.460 -0.000 0.000 0.278 338 C C 2.744 177.734 174.990 -0.000 0.000 1.295 338 C CA 1.049 60.059 59.018 -0.013 0.000 1.738 338 C CB -1.324 26.411 27.740 -0.008 0.000 1.987 338 C HN 0.619 nan 8.230 nan 0.000 0.492 339 Q N 1.225 121.024 119.800 -0.002 0.000 2.061 339 Q HA -0.136 4.204 4.340 -0.000 0.000 0.204 339 Q C 2.074 178.089 176.000 0.025 0.000 0.984 339 Q CA 1.959 57.768 55.803 0.011 0.000 0.846 339 Q CB -0.443 28.296 28.738 0.002 0.000 0.902 339 Q HN 0.505 nan 8.270 nan 0.000 0.421 340 V N 0.146 120.066 119.914 0.011 0.000 2.490 340 V HA -0.249 3.871 4.120 -0.000 0.000 0.250 340 V C 2.171 178.332 176.094 0.111 0.000 1.061 340 V CA 1.702 64.028 62.300 0.044 0.000 1.064 340 V CB -0.523 31.265 31.823 -0.059 0.000 0.670 340 V HN 0.353 nan 8.190 nan 0.000 0.461 341 M N 1.003 120.633 119.600 0.050 0.000 2.099 341 M HA 0.021 4.501 4.480 -0.000 0.000 0.262 341 M C 2.152 178.491 176.300 0.064 0.000 1.067 341 M CA 2.003 57.335 55.300 0.053 0.000 1.124 341 M CB -1.145 31.466 32.600 0.018 0.000 1.353 341 M HN 0.328 nan 8.290 nan 0.000 0.410 342 G N -0.760 108.070 108.800 0.049 0.000 2.422 342 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.218 342 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.218 342 G C 1.327 176.253 174.900 0.044 0.000 1.140 342 G CA 1.077 46.202 45.100 0.042 0.000 0.775 342 G HN 0.591 nan 8.290 nan 0.000 0.545 343 N N 0.349 119.082 118.700 0.055 0.000 2.188 343 N HA -0.090 4.650 4.740 -0.000 0.000 0.184 343 N C 1.786 177.233 175.510 -0.105 0.000 1.018 343 N CA 0.945 53.997 53.050 0.004 0.000 0.858 343 N CB -0.153 38.344 38.487 0.017 0.000 0.989 343 N HN 0.301 nan 8.380 nan 0.000 0.426 344 D N 0.729 121.121 120.400 -0.014 0.000 2.123 344 D HA -0.129 4.511 4.640 -0.000 0.000 0.196 344 D C 1.831 178.120 176.300 -0.019 0.000 0.992 344 D CA 0.815 54.805 54.000 -0.016 0.000 0.833 344 D CB 0.145 41.076 40.800 0.219 0.000 0.954 344 D HN -0.051 nan 8.370 nan 0.000 0.455 345 V N 0.596 120.515 119.914 0.008 0.000 2.343 345 V HA -0.225 3.895 4.120 -0.000 0.000 0.247 345 V C 2.517 178.607 176.094 -0.005 0.000 1.051 345 V CA 1.808 64.111 62.300 0.005 0.000 1.036 345 V CB -0.921 30.910 31.823 0.014 0.000 0.654 345 V HN 0.354 nan 8.190 nan 0.000 0.451 346 A N -0.302 122.520 122.820 0.004 0.000 1.930 346 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 346 A C 2.182 179.773 177.584 0.013 0.000 1.175 346 A CA 1.681 53.735 52.037 0.029 0.000 0.627 346 A CB -0.507 18.539 19.000 0.076 0.000 0.815 346 A HN 0.517 nan 8.150 nan 0.000 0.443 347 I N 0.014 120.564 120.570 -0.033 0.000 2.315 347 I HA -0.232 3.938 4.170 -0.000 0.000 0.248 347 I C 2.084 178.180 176.117 -0.036 0.000 1.117 347 I CA 0.972 62.247 61.300 -0.040 0.000 1.404 347 I CB -0.429 37.491 38.000 -0.134 0.000 1.071 347 I HN 0.298 nan 8.210 nan 0.000 0.419 348 N N 0.980 119.658 118.700 -0.037 0.000 2.058 348 N HA -0.154 4.586 4.740 -0.000 0.000 0.191 348 N C 1.905 177.370 175.510 -0.075 0.000 1.037 348 N CA 1.507 54.535 53.050 -0.037 0.000 0.848 348 N CB -0.378 38.098 38.487 -0.019 0.000 1.021 348 N HN 0.283 nan 8.380 nan 0.000 0.422 349 M N 0.175 119.727 119.600 -0.081 0.000 2.106 349 M HA -0.106 4.374 4.480 -0.000 0.000 0.259 349 M C 2.186 178.315 176.300 -0.285 0.000 1.068 349 M CA 1.831 57.047 55.300 -0.139 0.000 1.100 349 M CB -0.706 31.840 32.600 -0.091 0.000 1.351 349 M HN 0.240 nan 8.290 nan 0.000 0.404 350 G N -0.396 108.264 108.800 -0.233 0.000 2.414 350 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.215 350 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.215 350 G C 1.479 176.210 174.900 -0.281 0.000 1.188 350 G CA 0.813 45.698 45.100 -0.358 0.000 0.783 350 G HN 0.562 nan 8.290 nan 0.000 0.537 351 G N 0.602 109.335 108.800 -0.111 0.000 2.501 351 G HA2 0.128 4.088 3.960 -0.000 0.000 0.220 351 G HA3 0.128 4.088 3.960 -0.000 0.000 0.220 351 G C 1.602 176.452 174.900 -0.083 0.000 1.114 351 G CA 1.368 46.433 45.100 -0.058 0.000 0.757 351 G HN 0.712 nan 8.290 nan 0.000 0.559 352 A N -0.259 122.478 122.820 -0.139 0.000 2.303 352 A HA 0.471 4.791 4.320 -0.000 0.000 0.217 352 A C 1.930 179.409 177.584 -0.174 0.000 1.205 352 A CA 0.730 52.693 52.037 -0.123 0.000 0.875 352 A CB 0.319 19.258 19.000 -0.101 0.000 0.910 352 A HN 0.146 nan 8.150 nan 0.000 0.501 353 S N 0.649 116.160 115.700 -0.316 0.000 2.614 353 S HA 0.293 4.763 4.470 -0.000 0.000 0.230 353 S C 0.986 175.511 174.600 -0.124 0.000 0.952 353 S CA 0.127 58.100 58.200 -0.378 0.000 0.949 353 S CB 0.014 62.624 63.200 -0.983 0.000 0.786 353 S HN 0.653 nan 8.310 nan 0.000 0.478 354 G N 1.596 110.371 108.800 -0.041 0.000 2.527 354 G HA2 0.433 4.393 3.960 -0.000 0.000 0.248 354 G HA3 0.433 4.393 3.960 -0.000 0.000 0.248 354 G C -0.528 174.375 174.900 0.006 0.000 1.231 354 G CA -0.512 44.627 45.100 0.065 0.000 0.838 354 G HN 0.390 nan 8.290 nan 0.000 0.570 355 N N 0.059 118.781 118.700 0.036 0.000 2.352 355 N HA 0.545 5.285 4.740 -0.000 0.000 0.291 355 N C -0.179 175.348 175.510 0.027 0.000 1.040 355 N CA -0.594 52.390 53.050 -0.111 0.000 0.864 355 N CB 1.745 40.248 38.487 0.026 0.000 1.440 355 N HN 0.457 nan 8.380 nan 0.000 0.483 356 F N 0.255 120.243 119.950 0.063 0.000 2.756 356 F HA -0.388 4.139 4.527 -0.000 0.000 0.240 356 F C 1.741 177.592 175.800 0.085 0.000 1.487 356 F CA 1.279 59.317 58.000 0.064 0.000 1.859 356 F CB -0.807 38.226 39.000 0.055 0.000 1.319 356 F HN 0.444 nan 8.300 nan 0.000 0.230 357 E N 0.334 120.736 120.200 0.337 0.000 2.427 357 E HA 0.287 4.637 4.350 -0.000 0.000 0.196 357 E C -0.201 176.498 176.600 0.165 0.000 1.028 357 E CA 0.654 57.194 56.400 0.234 0.000 0.864 357 E CB 0.089 29.913 29.700 0.207 0.000 0.813 357 E HN 0.307 nan 8.360 nan 0.000 0.514 358 L N 0.585 121.904 121.223 0.159 0.000 2.493 358 L HA 0.331 4.671 4.340 -0.000 0.000 0.265 358 L C -1.389 175.553 176.870 0.120 0.000 0.954 358 L CA -0.533 54.374 54.840 0.113 0.000 0.844 358 L CB 1.827 43.934 42.059 0.080 0.000 1.302 358 L HN -0.160 nan 8.230 nan 0.000 0.405 359 N N 3.541 122.309 118.700 0.114 0.000 2.430 359 N HA 0.240 4.980 4.740 -0.000 0.000 0.265 359 N C -0.369 175.229 175.510 0.146 0.000 1.100 359 N CA -0.096 53.050 53.050 0.160 0.000 0.961 359 N CB 1.558 40.131 38.487 0.144 0.000 1.075 359 N HN 0.504 nan 8.380 nan 0.000 0.478 360 V N 2.111 122.127 119.914 0.170 0.000 2.776 360 V HA 0.462 4.582 4.120 -0.000 0.000 0.332 360 V C -0.509 175.430 176.094 -0.258 0.000 1.201 360 V CA -0.368 61.903 62.300 -0.048 0.000 1.401 360 V CB -1.342 30.405 31.823 -0.128 0.000 1.552 360 V HN 0.467 nan 8.190 nan 0.000 0.605 361 F N -0.314 119.635 119.950 -0.001 0.000 2.880 361 F HA 0.464 4.991 4.527 0.000 0.000 0.328 361 F C 1.883 177.701 175.800 0.029 0.000 1.146 361 F CA -0.615 57.399 58.000 0.023 0.000 1.135 361 F CB 0.494 39.518 39.000 0.041 0.000 1.151 361 F HN 0.101 nan 8.300 nan 0.000 0.523 362 R N 0.767 121.342 120.500 0.124 0.000 2.083 362 R HA -0.135 4.205 4.340 -0.000 0.000 0.237 362 R C -0.717 175.699 176.300 0.193 0.000 1.137 362 R CA 1.819 58.014 56.100 0.157 0.000 0.951 362 R CB -1.702 28.705 30.300 0.178 0.000 0.851 362 R HN 0.190 nan 8.270 nan 0.000 0.434 363 P HA -0.207 nan 4.420 nan 0.000 0.215 363 P C 1.392 178.715 177.300 0.039 0.000 1.153 363 P CA 1.208 64.328 63.100 0.034 0.000 0.853 363 P CB -0.079 31.502 31.700 -0.198 0.000 0.788 364 M N -0.592 119.053 119.600 0.075 0.000 2.175 364 M HA -0.096 4.384 4.480 -0.000 0.000 0.264 364 M C 1.646 178.080 176.300 0.223 0.000 1.063 364 M CA 1.813 57.220 55.300 0.178 0.000 1.119 364 M CB -0.784 32.018 32.600 0.336 0.000 1.377 364 M HN -0.194 nan 8.290 nan 0.000 0.415 365 V N 0.617 120.648 119.914 0.195 0.000 2.307 365 V HA -0.244 3.876 4.120 -0.000 0.000 0.245 365 V C 2.415 178.609 176.094 0.166 0.000 1.045 365 V CA 1.537 63.932 62.300 0.159 0.000 1.024 365 V CB -0.817 31.085 31.823 0.131 0.000 0.651 365 V HN 0.440 nan 8.190 nan 0.000 0.449 366 I N -0.493 120.179 120.570 0.170 0.000 2.394 366 I HA -0.205 3.965 4.170 -0.000 0.000 0.251 366 I C 2.436 178.656 176.117 0.171 0.000 1.136 366 I CA 1.582 62.977 61.300 0.159 0.000 1.425 366 I CB -0.649 37.411 38.000 0.100 0.000 1.079 366 I HN 0.462 nan 8.210 nan 0.000 0.425 367 H N 0.453 119.562 119.070 0.065 0.000 2.293 367 H HA -0.177 4.379 4.556 -0.000 0.000 0.300 367 H C 1.796 177.167 175.328 0.071 0.000 1.082 367 H CA 2.346 58.408 56.048 0.023 0.000 1.308 367 H CB -0.100 29.623 29.762 -0.065 0.000 1.375 367 H HN 0.360 nan 8.280 nan 0.000 0.495 368 N N -0.240 118.434 118.700 -0.043 0.000 2.188 368 N HA -0.109 4.631 4.740 -0.000 0.000 0.184 368 N C 1.774 177.278 175.510 -0.010 0.000 1.018 368 N CA 1.176 54.175 53.050 -0.085 0.000 0.858 368 N CB -0.352 38.150 38.487 0.024 0.000 0.989 368 N HN 0.240 nan 8.380 nan 0.000 0.426 369 F N 1.148 121.072 119.950 -0.044 0.000 2.084 369 F HA -0.005 4.522 4.527 -0.000 0.000 0.296 369 F C 1.719 177.541 175.800 0.037 0.000 1.111 369 F CA 1.179 59.214 58.000 0.058 0.000 1.224 369 F CB -0.129 38.907 39.000 0.060 0.000 0.991 369 F HN -0.035 nan 8.300 nan 0.000 0.471 370 L N -0.036 121.286 121.223 0.166 0.000 2.201 370 L HA -0.204 4.136 4.340 -0.000 0.000 0.212 370 L C 2.508 179.331 176.870 -0.079 0.000 1.105 370 L CA 1.416 56.283 54.840 0.045 0.000 0.775 370 L CB -0.780 41.322 42.059 0.071 0.000 0.913 370 L HN 0.334 nan 8.230 nan 0.000 0.440 371 Q N -0.152 119.570 119.800 -0.131 0.000 2.079 371 Q HA -0.175 4.165 4.340 -0.000 0.000 0.200 371 Q C 2.276 178.205 176.000 -0.118 0.000 0.974 371 Q CA 1.859 57.574 55.803 -0.147 0.000 0.840 371 Q CB 0.125 28.720 28.738 -0.237 0.000 0.898 371 Q HN 0.389 nan 8.270 nan 0.000 0.430 372 S N -0.038 115.589 115.700 -0.120 0.000 2.368 372 S HA -0.127 4.343 4.470 -0.000 0.000 0.225 372 S C 1.960 176.439 174.600 -0.201 0.000 1.030 372 S CA 1.329 59.452 58.200 -0.128 0.000 0.999 372 S CB -0.200 62.968 63.200 -0.053 0.000 0.844 372 S HN 0.264 nan 8.310 nan 0.000 0.459 373 V N 2.014 121.771 119.914 -0.261 0.000 2.358 373 V HA -0.158 3.962 4.120 -0.000 0.000 0.246 373 V C 2.423 178.440 176.094 -0.128 0.000 1.047 373 V CA 1.567 63.732 62.300 -0.227 0.000 1.035 373 V CB -0.627 31.062 31.823 -0.223 0.000 0.658 373 V HN 0.389 nan 8.190 nan 0.000 0.452 374 R N -0.238 120.202 120.500 -0.100 0.000 2.081 374 R HA -0.086 4.254 4.340 -0.000 0.000 0.235 374 R C 2.311 178.575 176.300 -0.061 0.000 1.131 374 R CA 1.392 57.453 56.100 -0.065 0.000 0.960 374 R CB -0.474 29.794 30.300 -0.052 0.000 0.856 374 R HN 0.417 nan 8.270 nan 0.000 0.436 375 L N 0.655 121.835 121.223 -0.072 0.000 1.994 375 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 375 L C 2.479 179.306 176.870 -0.072 0.000 1.071 375 L CA 1.397 56.199 54.840 -0.063 0.000 0.745 375 L CB -0.580 41.439 42.059 -0.066 0.000 0.892 375 L HN 0.195 nan 8.230 nan 0.000 0.431 376 L N -0.485 120.678 121.223 -0.099 0.000 2.131 376 L HA -0.180 4.160 4.340 -0.000 0.000 0.210 376 L C 2.820 179.644 176.870 -0.077 0.000 1.092 376 L CA 0.988 55.766 54.840 -0.104 0.000 0.759 376 L CB -0.737 41.239 42.059 -0.138 0.000 0.903 376 L HN 0.260 nan 8.230 nan 0.000 0.435 377 A N 0.152 122.930 122.820 -0.069 0.000 1.832 377 A HA -0.192 4.128 4.320 -0.000 0.000 0.214 377 A C 1.927 179.497 177.584 -0.024 0.000 1.204 377 A CA 1.766 53.776 52.037 -0.045 0.000 0.606 377 A CB -0.582 18.392 19.000 -0.044 0.000 0.849 377 A HN 0.295 nan 8.150 nan 0.000 0.445 378 D N -0.256 120.132 120.400 -0.019 0.000 2.218 378 D HA -0.045 4.595 4.640 -0.000 0.000 0.204 378 D C 1.953 178.263 176.300 0.017 0.000 0.976 378 D CA 1.258 55.259 54.000 0.001 0.000 0.853 378 D CB -0.566 40.235 40.800 0.002 0.000 0.939 378 D HN 0.451 nan 8.370 nan 0.000 0.481 379 G N 0.428 109.227 108.800 -0.001 0.000 2.404 379 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.215 379 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.215 379 G C 1.632 176.558 174.900 0.044 0.000 1.174 379 G CA 0.329 45.433 45.100 0.007 0.000 0.780 379 G HN 0.191 nan 8.290 nan 0.000 0.537 380 M N 0.163 119.773 119.600 0.016 0.000 2.175 380 M HA 0.015 4.495 4.480 -0.000 0.000 0.264 380 M C 2.395 178.757 176.300 0.103 0.000 1.063 380 M CA 1.367 56.705 55.300 0.063 0.000 1.119 380 M CB -0.228 32.380 32.600 0.014 0.000 1.377 380 M HN 0.407 nan 8.290 nan 0.000 0.415 381 E N 0.599 120.829 120.200 0.050 0.000 2.031 381 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 381 E C 2.000 178.606 176.600 0.011 0.000 0.994 381 E CA 2.037 58.449 56.400 0.021 0.000 0.800 381 E CB 0.061 29.764 29.700 0.003 0.000 0.752 381 E HN 0.499 nan 8.360 nan 0.000 0.447 382 S N -0.086 115.651 115.700 0.063 0.000 2.383 382 S HA -0.174 4.296 4.470 -0.000 0.000 0.227 382 S C 1.949 176.626 174.600 0.128 0.000 1.026 382 S CA 0.878 59.144 58.200 0.110 0.000 0.981 382 S CB -0.669 62.662 63.200 0.218 0.000 0.818 382 S HN 0.440 nan 8.310 nan 0.000 0.472 383 F N 3.364 123.320 119.950 0.010 0.000 2.216 383 F HA -0.017 4.510 4.527 -0.000 0.000 0.300 383 F C 2.178 177.970 175.800 -0.014 0.000 1.085 383 F CA 1.402 59.403 58.000 0.002 0.000 1.326 383 F CB -0.520 38.463 39.000 -0.028 0.000 1.027 383 F HN 0.347 nan 8.300 nan 0.000 0.497 384 N N 1.156 119.849 118.700 -0.011 0.000 2.083 384 N HA -0.218 4.522 4.740 -0.000 0.000 0.190 384 N C 1.911 177.317 175.510 -0.174 0.000 1.047 384 N CA 1.792 54.783 53.050 -0.098 0.000 0.845 384 N CB -0.259 38.220 38.487 -0.013 0.000 1.025 384 N HN 0.445 nan 8.380 nan 0.000 0.428 385 K N -0.945 119.327 120.400 -0.213 0.000 2.365 385 K HA -0.078 4.242 4.320 -0.000 0.000 0.199 385 K C 0.517 176.903 176.600 -0.356 0.000 1.045 385 K CA 1.229 57.332 56.287 -0.307 0.000 0.962 385 K CB -0.104 32.153 32.500 -0.405 0.000 0.759 385 K HN 0.350 nan 8.250 nan 0.000 0.469 386 H N -1.106 117.911 119.070 -0.089 0.000 2.592 386 H HA 0.249 4.805 4.556 -0.000 0.000 0.279 386 H C 0.493 175.731 175.328 -0.149 0.000 1.089 386 H CA -0.306 55.689 56.048 -0.088 0.000 1.150 386 H CB 0.651 30.383 29.762 -0.051 0.000 1.575 386 H HN 0.398 nan 8.280 nan 0.000 0.547 387 C N -1.186 118.013 119.300 -0.168 0.000 3.671 387 C HA 0.369 4.829 4.460 -0.000 0.000 0.401 387 C C 2.633 177.422 174.990 -0.335 0.000 1.507 387 C CA 0.959 59.803 59.018 -0.290 0.000 2.037 387 C CB -0.733 26.704 27.740 -0.505 0.000 2.457 387 C HN 0.371 nan 8.230 nan 0.000 0.471 388 A N 1.370 123.873 122.820 -0.529 0.000 1.986 388 A HA -0.102 4.218 4.320 -0.000 0.000 0.220 388 A C 1.947 179.468 177.584 -0.105 0.000 1.171 388 A CA 3.039 54.889 52.037 -0.313 0.000 0.640 388 A CB -0.913 17.926 19.000 -0.267 0.000 0.811 388 A HN 1.416 nan 8.150 nan 0.000 0.451 389 V N -3.066 116.786 119.914 -0.104 0.000 2.719 389 V HA 0.177 4.297 4.120 -0.000 0.000 0.252 389 V C 1.968 178.055 176.094 -0.012 0.000 1.065 389 V CA 1.573 63.845 62.300 -0.047 0.000 1.086 389 V CB -1.039 30.750 31.823 -0.056 0.000 0.700 389 V HN 0.417 nan 8.190 nan 0.000 0.467 390 G N -0.055 108.733 108.800 -0.019 0.000 3.189 390 G HA2 0.318 4.278 3.960 -0.000 0.000 0.225 390 G HA3 0.318 4.278 3.960 -0.000 0.000 0.225 390 G C 0.527 175.456 174.900 0.049 0.000 1.159 390 G CA -0.377 44.732 45.100 0.015 0.000 0.763 390 G HN 0.505 nan 8.290 nan 0.000 0.549 391 I N 2.023 122.638 120.570 0.075 0.000 2.671 391 I HA 0.055 4.225 4.170 -0.000 0.000 0.285 391 I C -0.269 175.973 176.117 0.208 0.000 1.148 391 I CA 0.387 61.769 61.300 0.136 0.000 1.386 391 I CB 0.521 38.644 38.000 0.206 0.000 1.406 391 I HN -0.007 nan 8.210 nan 0.000 0.540 392 E N 9.116 129.372 120.200 0.093 0.000 2.212 392 E HA 0.459 4.809 4.350 -0.000 0.000 0.268 392 E C -2.391 174.115 176.600 -0.157 0.000 0.902 392 E CA -2.098 54.312 56.400 0.016 0.000 0.779 392 E CB 1.928 31.642 29.700 0.024 0.000 1.172 392 E HN 0.261 nan 8.360 nan 0.000 0.409 393 P HA 0.249 nan 4.420 nan 0.000 0.285 393 P C -0.673 176.508 177.300 -0.199 0.000 1.259 393 P CA -0.442 62.415 63.100 -0.404 0.000 0.794 393 P CB 0.720 31.975 31.700 -0.741 0.000 0.940 394 N N 2.512 121.136 118.700 -0.126 0.000 3.229 394 N HA 0.132 4.872 4.740 -0.000 0.000 0.275 394 N C 1.403 176.874 175.510 -0.064 0.000 1.225 394 N CA -0.406 52.602 53.050 -0.070 0.000 1.119 394 N CB 0.146 38.610 38.487 -0.037 0.000 1.392 394 N HN 0.245 nan 8.380 nan 0.000 0.520 395 R N 0.980 121.435 120.500 -0.074 0.000 2.113 395 R HA -0.267 4.073 4.340 -0.000 0.000 0.244 395 R C 1.562 177.845 176.300 -0.027 0.000 1.142 395 R CA 1.900 57.968 56.100 -0.054 0.000 0.953 395 R CB -0.158 30.115 30.300 -0.044 0.000 0.860 395 R HN 0.551 nan 8.270 nan 0.000 0.438 396 E N 0.612 120.800 120.200 -0.020 0.000 2.023 396 E HA -0.238 4.112 4.350 -0.000 0.000 0.196 396 E C 1.927 178.524 176.600 -0.005 0.000 1.003 396 E CA 1.374 57.768 56.400 -0.009 0.000 0.809 396 E CB -0.438 29.258 29.700 -0.007 0.000 0.755 396 E HN 0.265 nan 8.360 nan 0.000 0.449 397 R N 0.524 121.021 120.500 -0.006 0.000 2.075 397 R HA -0.017 4.323 4.340 -0.000 0.000 0.232 397 R C 2.390 178.693 176.300 0.004 0.000 1.126 397 R CA 1.353 57.454 56.100 0.002 0.000 0.963 397 R CB -0.309 29.994 30.300 0.005 0.000 0.858 397 R HN 0.256 nan 8.270 nan 0.000 0.435 398 I N 1.191 121.757 120.570 -0.006 0.000 2.208 398 I HA -0.324 3.846 4.170 -0.000 0.000 0.245 398 I C 1.927 178.047 176.117 0.005 0.000 1.097 398 I CA 1.245 62.543 61.300 -0.004 0.000 1.363 398 I CB -0.426 37.560 38.000 -0.023 0.000 1.051 398 I HN 0.313 nan 8.210 nan 0.000 0.413 399 N N 0.376 119.078 118.700 0.004 0.000 2.244 399 N HA -0.220 4.520 4.740 -0.000 0.000 0.183 399 N C 1.843 177.365 175.510 0.020 0.000 1.016 399 N CA 1.024 54.082 53.050 0.013 0.000 0.866 399 N CB -0.179 38.315 38.487 0.011 0.000 0.980 399 N HN 0.495 nan 8.380 nan 0.000 0.430 400 Q N 0.293 120.102 119.800 0.016 0.000 2.124 400 Q HA -0.107 4.233 4.340 -0.000 0.000 0.202 400 Q C 1.659 177.674 176.000 0.025 0.000 0.977 400 Q CA 0.901 56.715 55.803 0.019 0.000 0.850 400 Q CB 0.115 28.861 28.738 0.014 0.000 0.901 400 Q HN 0.135 nan 8.270 nan 0.000 0.429 401 L N 0.399 121.637 121.223 0.025 0.000 2.156 401 L HA -0.096 4.244 4.340 -0.000 0.000 0.208 401 L C 2.146 179.037 176.870 0.035 0.000 1.095 401 L CA 1.204 56.062 54.840 0.030 0.000 0.770 401 L CB -0.574 41.503 42.059 0.029 0.000 0.914 401 L HN 0.265 nan 8.230 nan 0.000 0.439 402 L N -0.936 120.308 121.223 0.035 0.000 2.046 402 L HA -0.238 4.102 4.340 -0.000 0.000 0.208 402 L C 2.062 178.968 176.870 0.060 0.000 1.077 402 L CA 1.539 56.404 54.840 0.042 0.000 0.747 402 L CB -0.466 41.616 42.059 0.038 0.000 0.896 402 L HN 0.408 nan 8.230 nan 0.000 0.432 403 N N -0.458 118.279 118.700 0.061 0.000 2.142 403 N HA -0.172 4.568 4.740 -0.000 0.000 0.186 403 N C 1.423 176.975 175.510 0.069 0.000 1.023 403 N CA 0.889 53.986 53.050 0.079 0.000 0.852 403 N CB -0.005 38.518 38.487 0.061 0.000 0.998 403 N HN 0.339 nan 8.380 nan 0.000 0.424 404 E N 0.812 121.041 120.200 0.049 0.000 2.516 404 E HA -0.029 4.321 4.350 -0.000 0.000 0.199 404 E C 0.348 176.978 176.600 0.051 0.000 1.069 404 E CA 0.027 56.452 56.400 0.042 0.000 0.876 404 E CB 0.152 29.871 29.700 0.031 0.000 0.843 404 E HN 0.338 nan 8.360 nan 0.000 0.530 405 S N -0.395 115.339 115.700 0.057 0.000 2.645 405 S HA 0.195 4.665 4.470 -0.000 0.000 0.266 405 S C 0.560 175.200 174.600 0.066 0.000 1.258 405 S CA -0.604 57.628 58.200 0.054 0.000 0.990 405 S CB 1.183 64.411 63.200 0.046 0.000 0.967 405 S HN 0.016 nan 8.310 nan 0.000 0.556 406 L N 0.499 121.753 121.223 0.052 0.000 2.731 406 L HA 0.341 4.681 4.340 -0.000 0.000 0.240 406 L C 1.902 178.794 176.870 0.037 0.000 1.120 406 L CA 0.293 55.165 54.840 0.053 0.000 0.913 406 L CB -0.406 41.673 42.059 0.033 0.000 1.213 406 L HN 0.610 nan 8.230 nan 0.000 0.515 407 M N -0.556 119.062 119.600 0.029 0.000 2.446 407 M HA -0.044 4.436 4.480 -0.000 0.000 0.263 407 M C 1.728 178.041 176.300 0.023 0.000 1.066 407 M CA 1.339 56.650 55.300 0.019 0.000 1.087 407 M CB -0.849 31.762 32.600 0.017 0.000 1.406 407 M HN 0.208 nan 8.290 nan 0.000 0.459 408 L N -1.166 120.079 121.223 0.037 0.000 2.599 408 L HA 0.004 4.344 4.340 -0.000 0.000 0.230 408 L C 2.213 179.092 176.870 0.016 0.000 1.141 408 L CA -0.232 54.623 54.840 0.026 0.000 0.877 408 L CB -0.470 41.610 42.059 0.036 0.000 1.009 408 L HN 0.048 nan 8.230 nan 0.000 0.447 409 V N 0.750 120.683 119.914 0.030 0.000 2.688 409 V HA -0.274 3.846 4.120 -0.000 0.000 0.256 409 V C 2.581 178.676 176.094 0.001 0.000 1.084 409 V CA 2.506 64.822 62.300 0.027 0.000 1.103 409 V CB -0.351 31.483 31.823 0.018 0.000 0.688 409 V HN 0.746 nan 8.190 nan 0.000 0.480 410 T N -2.033 112.519 114.554 -0.003 0.000 2.929 410 T HA -0.049 4.301 4.350 -0.000 0.000 0.271 410 T C 1.805 176.502 174.700 -0.006 0.000 1.085 410 T CA 1.242 63.341 62.100 -0.002 0.000 1.125 410 T CB -0.505 68.368 68.868 0.008 0.000 0.874 410 T HN 0.592 nan 8.240 nan 0.000 0.494 411 A N 0.891 123.709 122.820 -0.003 0.000 2.066 411 A HA 0.291 4.611 4.320 -0.000 0.000 0.218 411 A C 2.005 179.629 177.584 0.067 0.000 1.157 411 A CA 0.642 52.688 52.037 0.014 0.000 0.670 411 A CB -0.558 18.443 19.000 0.002 0.000 0.804 411 A HN 0.464 nan 8.150 nan 0.000 0.453 412 L N 0.124 121.380 121.223 0.055 0.000 2.558 412 L HA 0.057 4.397 4.340 -0.000 0.000 0.225 412 L C 1.635 178.512 176.870 0.012 0.000 1.128 412 L CA 0.649 55.553 54.840 0.107 0.000 0.868 412 L CB -0.731 41.405 42.059 0.129 0.000 1.006 412 L HN 0.257 nan 8.230 nan 0.000 0.454 413 N N -0.343 118.335 118.700 -0.038 0.000 2.058 413 N HA -0.158 4.582 4.740 -0.000 0.000 0.191 413 N C 1.864 177.280 175.510 -0.157 0.000 1.037 413 N CA 1.965 54.979 53.050 -0.060 0.000 0.848 413 N CB -0.735 37.747 38.487 -0.009 0.000 1.021 413 N HN 0.412 nan 8.380 nan 0.000 0.422 414 T N -2.434 111.945 114.554 -0.292 0.000 3.098 414 T HA -0.044 4.306 4.350 -0.000 0.000 0.266 414 T C 1.202 175.532 174.700 -0.615 0.000 1.145 414 T CA 1.138 62.975 62.100 -0.438 0.000 1.092 414 T CB -0.331 68.224 68.868 -0.521 0.000 0.908 414 T HN 0.381 nan 8.240 nan 0.000 0.526 415 H N 0.741 119.579 119.070 -0.386 0.000 2.460 415 H HA 0.426 4.982 4.556 -0.000 0.000 0.297 415 H C 2.003 177.088 175.328 -0.405 0.000 1.023 415 H CA 0.863 56.538 56.048 -0.622 0.000 1.321 415 H CB 0.299 29.239 29.762 -1.369 0.000 1.455 415 H HN 0.493 nan 8.280 nan 0.000 0.539 416 I N -3.146 117.341 120.570 -0.138 0.000 4.240 416 I HA 0.528 4.698 4.170 -0.000 0.000 0.331 416 I C 0.284 176.357 176.117 -0.073 0.000 1.381 416 I CA 0.118 61.377 61.300 -0.069 0.000 1.136 416 I CB 1.110 39.120 38.000 0.017 0.000 1.137 416 I HN 0.224 nan 8.210 nan 0.000 0.411 417 G N 1.631 110.392 108.800 -0.065 0.000 2.788 417 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.686 417 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.686 417 G C -0.261 174.655 174.900 0.026 0.000 1.147 417 G CA -0.004 45.083 45.100 -0.021 0.000 0.755 417 G HN 0.339 nan 8.290 nan 0.000 0.634 418 Y N 0.839 121.106 120.300 -0.054 0.000 2.114 418 Y HA -0.197 4.353 4.550 -0.000 0.000 0.282 418 Y C 2.440 178.328 175.900 -0.019 0.000 1.165 418 Y CA 2.797 60.877 58.100 -0.033 0.000 1.148 418 Y CB 0.039 38.479 38.460 -0.033 0.000 0.972 418 Y HN 0.641 nan 8.280 nan 0.000 0.504 419 D N 0.161 120.668 120.400 0.179 0.000 2.104 419 D HA -0.187 4.453 4.640 -0.000 0.000 0.194 419 D C 2.006 178.286 176.300 -0.033 0.000 0.994 419 D CA 1.724 55.774 54.000 0.083 0.000 0.830 419 D CB -0.201 40.658 40.800 0.097 0.000 0.959 419 D HN 0.454 nan 8.370 nan 0.000 0.452 420 K N 0.672 121.031 120.400 -0.068 0.000 2.097 420 K HA -0.026 4.294 4.320 -0.000 0.000 0.205 420 K C 2.205 178.801 176.600 -0.007 0.000 1.050 420 K CA 0.880 57.102 56.287 -0.108 0.000 0.938 420 K CB -0.021 32.291 32.500 -0.313 0.000 0.718 420 K HN 0.001 nan 8.250 nan 0.000 0.442 421 A N 1.580 124.367 122.820 -0.055 0.000 1.902 421 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 421 A C 2.371 179.888 177.584 -0.111 0.000 1.181 421 A CA 1.851 53.858 52.037 -0.050 0.000 0.623 421 A CB -0.658 18.283 19.000 -0.099 0.000 0.818 421 A HN 0.328 nan 8.150 nan 0.000 0.443 422 A N -0.277 122.385 122.820 -0.264 0.000 1.877 422 A HA -0.202 4.118 4.320 -0.000 0.000 0.216 422 A C 2.046 179.586 177.584 -0.074 0.000 1.186 422 A CA 1.884 53.761 52.037 -0.268 0.000 0.620 422 A CB -0.606 18.151 19.000 -0.404 0.000 0.822 422 A HN 0.692 nan 8.150 nan 0.000 0.443 423 E N -0.068 120.128 120.200 -0.006 0.000 2.058 423 E HA -0.203 4.147 4.350 -0.000 0.000 0.194 423 E C 1.907 178.561 176.600 0.090 0.000 0.997 423 E CA 1.488 57.931 56.400 0.071 0.000 0.801 423 E CB -0.281 29.508 29.700 0.149 0.000 0.746 423 E HN 0.647 nan 8.360 nan 0.000 0.450 424 I N 1.005 121.650 120.570 0.125 0.000 2.151 424 I HA -0.326 3.844 4.170 -0.000 0.000 0.243 424 I C 2.619 178.786 176.117 0.083 0.000 1.080 424 I CA 1.274 62.649 61.300 0.125 0.000 1.339 424 I CB -0.439 37.669 38.000 0.180 0.000 1.039 424 I HN 0.241 nan 8.210 nan 0.000 0.409 425 A N 0.450 123.304 122.820 0.057 0.000 1.898 425 A HA -0.244 4.076 4.320 -0.000 0.000 0.216 425 A C 2.385 180.007 177.584 0.063 0.000 1.181 425 A CA 1.776 53.841 52.037 0.047 0.000 0.620 425 A CB -0.491 18.509 19.000 -0.001 0.000 0.819 425 A HN 0.352 nan 8.150 nan 0.000 0.442 426 K N -0.094 120.337 120.400 0.051 0.000 2.097 426 K HA -0.167 4.153 4.320 -0.000 0.000 0.206 426 K C 2.143 178.799 176.600 0.094 0.000 1.049 426 K CA 1.705 58.038 56.287 0.078 0.000 0.933 426 K CB -0.138 32.394 32.500 0.054 0.000 0.717 426 K HN 0.470 nan 8.250 nan 0.000 0.442 427 K N 0.124 120.563 120.400 0.065 0.000 2.007 427 K HA -0.079 4.241 4.320 -0.000 0.000 0.206 427 K C 2.022 178.646 176.600 0.040 0.000 1.047 427 K CA 1.130 57.441 56.287 0.040 0.000 0.937 427 K CB -0.227 32.286 32.500 0.021 0.000 0.718 427 K HN 0.171 nan 8.250 nan 0.000 0.438 428 A N 0.771 123.623 122.820 0.053 0.000 1.986 428 A HA -0.257 4.063 4.320 -0.000 0.000 0.220 428 A C 1.962 179.594 177.584 0.079 0.000 1.171 428 A CA 2.170 54.238 52.037 0.052 0.000 0.640 428 A CB -0.915 18.124 19.000 0.064 0.000 0.811 428 A HN 0.623 nan 8.150 nan 0.000 0.451 429 H N -0.635 118.438 119.070 0.005 0.000 2.317 429 H HA 0.022 4.578 4.556 -0.000 0.000 0.304 429 H C 1.944 177.273 175.328 0.001 0.000 1.067 429 H CA 1.955 58.005 56.048 0.004 0.000 1.352 429 H CB -0.100 29.665 29.762 0.005 0.000 1.398 429 H HN 0.261 nan 8.280 nan 0.000 0.510 430 K N 0.674 121.020 120.400 -0.090 0.000 2.063 430 K HA -0.111 4.209 4.320 -0.000 0.000 0.208 430 K C 1.950 178.474 176.600 -0.126 0.000 1.048 430 K CA 1.955 58.157 56.287 -0.142 0.000 0.928 430 K CB -0.029 32.450 32.500 -0.034 0.000 0.713 430 K HN 0.560 nan 8.250 nan 0.000 0.442 431 E N -1.245 118.910 120.200 -0.074 0.000 2.474 431 E HA 0.142 4.492 4.350 -0.000 0.000 0.194 431 E C 0.209 176.774 176.600 -0.058 0.000 1.041 431 E CA 0.315 56.679 56.400 -0.059 0.000 0.874 431 E CB 0.455 30.132 29.700 -0.039 0.000 0.914 431 E HN 0.363 nan 8.360 nan 0.000 0.498 432 G N 2.038 110.800 108.800 -0.064 0.000 2.298 432 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.287 432 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.287 432 G C -0.114 174.774 174.900 -0.020 0.000 1.075 432 G CA 0.188 45.264 45.100 -0.042 0.000 0.960 432 G HN 0.110 nan 8.290 nan 0.000 0.502 433 L N -0.516 120.700 121.223 -0.011 0.000 2.271 433 L HA 0.804 5.144 4.340 -0.000 0.000 0.265 433 L C 1.172 178.039 176.870 -0.006 0.000 1.013 433 L CA -0.793 54.037 54.840 -0.018 0.000 0.820 433 L CB 1.621 43.662 42.059 -0.031 0.000 1.352 433 L HN 0.326 nan 8.230 nan 0.000 0.443 434 T N -2.259 112.278 114.554 -0.028 0.000 2.882 434 T HA 0.347 4.697 4.350 -0.000 0.000 0.287 434 T C 1.192 175.869 174.700 -0.040 0.000 1.014 434 T CA -0.727 61.358 62.100 -0.026 0.000 1.049 434 T CB 0.993 69.825 68.868 -0.061 0.000 1.001 434 T HN 0.464 nan 8.240 nan 0.000 0.525 435 L N 0.178 121.414 121.223 0.022 0.000 2.187 435 L HA -0.097 4.243 4.340 -0.000 0.000 0.213 435 L C 2.732 179.507 176.870 -0.159 0.000 1.100 435 L CA 1.422 56.316 54.840 0.090 0.000 0.765 435 L CB -0.611 41.653 42.059 0.341 0.000 0.904 435 L HN 0.734 nan 8.230 nan 0.000 0.437 436 K N 0.743 120.805 120.400 -0.563 0.000 1.984 436 K HA -0.126 4.194 4.320 -0.000 0.000 0.209 436 K C 2.120 178.458 176.600 -0.436 0.000 1.046 436 K CA 1.643 57.334 56.287 -0.993 0.000 0.934 436 K CB -0.433 31.567 32.500 -0.833 0.000 0.717 436 K HN 0.150 nan 8.250 nan 0.000 0.438 437 A N 0.714 123.376 122.820 -0.264 0.000 1.883 437 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 437 A C 2.421 179.932 177.584 -0.122 0.000 1.186 437 A CA 2.442 54.382 52.037 -0.162 0.000 0.624 437 A CB -1.308 17.624 19.000 -0.114 0.000 0.822 437 A HN 0.501 nan 8.150 nan 0.000 0.444 438 A N -0.360 122.405 122.820 -0.092 0.000 1.902 438 A HA 0.179 4.499 4.320 -0.000 0.000 0.217 438 A C 2.514 180.064 177.584 -0.057 0.000 1.181 438 A CA 2.111 54.114 52.037 -0.057 0.000 0.623 438 A CB -1.028 17.965 19.000 -0.011 0.000 0.818 438 A HN 1.119 nan 8.150 nan 0.000 0.443 439 A N -0.898 121.906 122.820 -0.026 0.000 1.933 439 A HA 0.007 4.327 4.320 -0.000 0.000 0.218 439 A C 1.983 179.548 177.584 -0.031 0.000 1.175 439 A CA 1.677 53.740 52.037 0.044 0.000 0.628 439 A CB -0.442 18.658 19.000 0.166 0.000 0.814 439 A HN 0.395 nan 8.150 nan 0.000 0.444 440 L N -0.751 120.420 121.223 -0.087 0.000 2.179 440 L HA 0.051 4.391 4.340 -0.000 0.000 0.208 440 L C 2.861 179.668 176.870 -0.106 0.000 1.096 440 L CA 1.502 56.286 54.840 -0.093 0.000 0.779 440 L CB -0.839 41.151 42.059 -0.115 0.000 0.922 440 L HN 0.377 nan 8.230 nan 0.000 0.443 441 A N -1.167 121.582 122.820 -0.117 0.000 1.933 441 A HA -0.132 4.188 4.320 -0.000 0.000 0.218 441 A C 2.011 179.494 177.584 -0.168 0.000 1.175 441 A CA 1.371 53.336 52.037 -0.120 0.000 0.628 441 A CB -0.461 18.478 19.000 -0.101 0.000 0.814 441 A HN 0.294 nan 8.150 nan 0.000 0.444 442 L N -1.365 119.696 121.223 -0.270 0.000 2.446 442 L HA 0.238 4.578 4.340 -0.000 0.000 0.219 442 L C 1.713 178.308 176.870 -0.458 0.000 1.116 442 L CA 1.078 55.625 54.840 -0.489 0.000 0.844 442 L CB -0.943 40.551 42.059 -0.942 0.000 0.970 442 L HN 0.652 nan 8.230 nan 0.000 0.457 443 G N -1.537 107.113 108.800 -0.249 0.000 2.198 443 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.257 443 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.257 443 G C 0.597 175.541 174.900 0.073 0.000 1.042 443 G CA 0.444 45.496 45.100 -0.079 0.000 0.791 443 G HN 0.249 nan 8.290 nan 0.000 0.502 444 Y N -0.801 119.535 120.300 0.059 0.000 2.475 444 Y HA 0.415 4.965 4.550 -0.000 0.000 0.289 444 Y C 1.699 177.677 175.900 0.130 0.000 1.121 444 Y CA 0.725 58.882 58.100 0.095 0.000 1.257 444 Y CB 0.103 38.628 38.460 0.110 0.000 1.026 444 Y HN 0.756 nan 8.280 nan 0.000 0.555 445 L N -3.497 117.869 121.223 0.239 0.000 2.710 445 L HA 0.648 4.988 4.340 -0.000 0.000 0.260 445 L C -0.278 176.600 176.870 0.013 0.000 0.993 445 L CA -1.274 53.642 54.840 0.128 0.000 0.877 445 L CB 1.615 43.772 42.059 0.165 0.000 1.461 445 L HN -0.199 nan 8.230 nan 0.000 0.413 446 S N -0.974 114.678 115.700 -0.080 0.000 2.681 446 S HA 0.279 4.749 4.470 -0.000 0.000 0.270 446 S C 0.675 175.207 174.600 -0.112 0.000 1.209 446 S CA 0.177 58.324 58.200 -0.090 0.000 0.988 446 S CB 1.648 64.790 63.200 -0.097 0.000 1.006 446 S HN 0.948 nan 8.310 nan 0.000 0.558 447 E N 0.531 120.674 120.200 -0.095 0.000 2.106 447 E HA -0.082 4.268 4.350 -0.000 0.000 0.192 447 E C 2.004 178.552 176.600 -0.086 0.000 0.984 447 E CA 0.914 57.264 56.400 -0.083 0.000 0.806 447 E CB -0.521 29.127 29.700 -0.087 0.000 0.750 447 E HN 0.826 nan 8.360 nan 0.000 0.458 448 A N 0.690 123.437 122.820 -0.122 0.000 2.125 448 A HA -0.170 4.150 4.320 -0.000 0.000 0.219 448 A C 1.685 179.110 177.584 -0.265 0.000 1.156 448 A CA 1.255 53.206 52.037 -0.143 0.000 0.671 448 A CB -0.248 18.682 19.000 -0.118 0.000 0.794 448 A HN 0.316 nan 8.150 nan 0.000 0.459 449 E N -2.012 117.940 120.200 -0.414 0.000 2.201 449 E HA 0.046 4.396 4.350 -0.000 0.000 0.193 449 E C 1.587 177.654 176.600 -0.889 0.000 0.957 449 E CA 0.328 56.163 56.400 -0.942 0.000 0.858 449 E CB -0.146 28.769 29.700 -1.309 0.000 0.816 449 E HN 0.642 nan 8.360 nan 0.000 0.475 450 F N 2.799 122.442 119.950 -0.512 0.000 2.075 450 F HA -0.164 4.363 4.527 -0.000 0.000 0.297 450 F C 1.638 177.349 175.800 -0.149 0.000 1.113 450 F CA 1.466 59.329 58.000 -0.228 0.000 1.218 450 F CB 0.099 39.029 39.000 -0.115 0.000 0.984 450 F HN -0.128 nan 8.300 nan 0.000 0.472 451 D N -0.435 120.044 120.400 0.131 0.000 2.403 451 D HA -0.095 4.545 4.640 -0.000 0.000 0.227 451 D C 1.976 178.256 176.300 -0.033 0.000 0.995 451 D CA 0.951 54.996 54.000 0.074 0.000 0.928 451 D CB 0.085 40.917 40.800 0.054 0.000 0.887 451 D HN 0.295 nan 8.370 nan 0.000 0.529 452 S N -0.794 114.829 115.700 -0.129 0.000 2.620 452 S HA 0.005 4.475 4.470 -0.000 0.000 0.234 452 S C 1.562 176.179 174.600 0.028 0.000 1.064 452 S CA -0.424 57.727 58.200 -0.082 0.000 0.920 452 S CB 0.203 63.312 63.200 -0.152 0.000 0.826 452 S HN 0.234 nan 8.310 nan 0.000 0.557 453 W N 2.022 123.190 121.300 -0.220 0.000 2.329 453 W HA 0.105 4.765 4.660 -0.000 0.000 0.324 453 W C 1.450 177.858 176.519 -0.186 0.000 1.222 453 W CA 0.008 57.174 57.345 -0.300 0.000 1.270 453 W CB -1.346 27.801 29.460 -0.521 0.000 1.167 453 W HN 0.078 nan 8.180 nan 0.000 0.467 454 V N 3.803 123.668 119.914 -0.081 0.000 2.266 454 V HA 0.121 4.241 4.120 -0.000 0.000 0.240 454 V C -0.235 175.810 176.094 -0.082 0.000 1.225 454 V CA -0.041 62.154 62.300 -0.174 0.000 1.237 454 V CB -0.754 30.759 31.823 -0.516 0.000 1.343 454 V HN -0.100 nan 8.190 nan 0.000 0.496 455 R N 8.561 129.058 120.500 -0.005 0.000 2.233 455 R HA 0.475 4.815 4.340 -0.000 0.000 0.334 455 R C -1.369 174.938 176.300 0.012 0.000 1.037 455 R CA -2.426 53.681 56.100 0.013 0.000 0.920 455 R CB 1.096 31.417 30.300 0.036 0.000 1.137 455 R HN 0.418 nan 8.270 nan 0.000 0.492 456 P HA -0.171 nan 4.420 nan 0.000 0.222 456 P C -0.096 177.213 177.300 0.014 0.000 1.142 456 P CA 0.960 64.068 63.100 0.013 0.000 0.788 456 P CB 0.545 32.257 31.700 0.019 0.000 0.767 457 E N -0.342 119.867 120.200 0.016 0.000 2.267 457 E HA -0.143 4.207 4.350 -0.000 0.000 0.197 457 E C 0.546 177.153 176.600 0.013 0.000 0.998 457 E CA 0.910 57.320 56.400 0.016 0.000 0.830 457 E CB -0.657 29.053 29.700 0.018 0.000 0.751 457 E HN 0.415 nan 8.360 nan 0.000 0.491 458 Q N 0.559 120.366 119.800 0.013 0.000 2.421 458 Q HA 0.283 4.623 4.340 -0.000 0.000 0.242 458 Q C -0.148 175.856 176.000 0.006 0.000 1.024 458 Q CA -0.227 55.581 55.803 0.009 0.000 0.891 458 Q CB 0.724 29.469 28.738 0.012 0.000 1.222 458 Q HN 0.112 nan 8.270 nan 0.000 0.483 459 M N 0.000 119.602 119.600 0.003 0.000 2.572 459 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 459 M CA 0.000 55.301 55.300 0.002 0.000 0.988 459 M CB 0.000 32.602 32.600 0.003 0.000 1.302 459 M HN 0.000 nan 8.290 nan 0.000 0.411