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 1xrb_1_A DATA FIRST_RESID 1 DATA SEQUENCE AKHLFTSESV SEGHPDKIAD QISDAVLDAI LEQDPKARVA CETYVKTGXV DATA SEQUENCE LVGGEITTSA WVDIEEITRN TVREIGYVHS DXGFDANSCA VLSAIGKQSP DATA SEQUENCE DXXXXXXRAD PLEQGAGDQG LXFGYATNET DVLXPAPITY AHRLVQRQAE DATA SEQUENCE VRKNGTLPWL RPDAKSQVTF QYDDGKIVGI DAVVLSTQHS EEIDQKSLQE DATA SEQUENCE AVXEEIIKPI LPAEWLTSAT KFFINPTGRF VIGGPXGDCG LTGRKIIVDT DATA SEQUENCE YGGXARHGGG AFSGKDPSKV DRSAAYAARY VAKNIVAAGL ADRCEIQVSY DATA SEQUENCE AIGVAEPTSI XVETFGTEKV PSEQLTLLVR EFFDLRPYGL IQXLDLLHPI DATA SEQUENCE YKETAAYGHF GREHFPWEKT DKAQLLRDAA GLK 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.511 177.584 -0.122 0.000 1.274 1 A CA 0.000 51.953 52.037 -0.140 0.000 0.836 1 A CB 0.000 18.955 19.000 -0.075 0.000 0.831 2 K N 1.396 121.811 120.400 0.025 0.000 2.513 2 K HA -0.299 nan 4.320 nan 0.000 0.275 2 K C -0.920 175.793 176.600 0.188 0.000 1.025 2 K CA 2.276 58.642 56.287 0.131 0.000 1.125 2 K CB -0.318 32.235 32.500 0.088 0.000 0.843 2 K HN 0.029 8.489 8.250 0.026 -0.194 0.486 3 H N -0.334 118.777 119.070 0.068 0.000 2.919 3 H HA 0.097 nan 4.556 nan 0.000 0.270 3 H C -2.743 172.631 175.328 0.078 0.000 1.412 3 H CA -1.220 54.856 56.048 0.047 0.000 1.261 3 H CB 0.725 30.494 29.762 0.012 0.000 1.850 3 H HN 0.079 8.777 8.280 0.457 -0.143 0.478 4 L N -2.208 119.007 121.223 -0.014 0.000 2.354 4 L HA 0.816 nan 4.340 nan 0.000 0.264 4 L C -1.560 175.272 176.870 -0.063 0.000 1.008 4 L CA -1.142 53.684 54.840 -0.023 0.000 0.819 4 L CB 3.138 45.225 42.059 0.046 0.000 1.339 4 L HN 0.171 8.419 8.230 0.030 0.000 0.420 5 F N 1.845 121.700 119.950 -0.158 0.000 2.599 5 F HA 0.449 nan 4.527 nan 0.000 0.311 5 F C -2.214 173.567 175.800 -0.031 0.000 1.076 5 F CA -0.559 57.336 58.000 -0.174 0.000 0.937 5 F CB 4.447 43.237 39.000 -0.349 0.000 1.282 5 F HN 0.656 9.063 8.300 0.179 0.000 0.460 6 T N 7.080 121.273 114.554 -0.601 0.000 2.906 6 T HA 0.612 nan 4.350 nan 0.000 0.295 6 T C -1.807 172.739 174.700 -0.256 0.000 1.061 6 T CA -1.019 60.931 62.100 -0.250 0.000 1.000 6 T CB 2.387 71.106 68.868 -0.247 0.000 1.103 6 T HN -0.032 7.374 8.240 -1.388 0.000 0.486 7 S N 1.094 116.785 115.700 -0.015 0.000 2.536 7 S HA 0.432 nan 4.470 nan 0.000 0.271 7 S C -2.092 172.509 174.600 0.002 0.000 1.134 7 S CA -0.714 57.495 58.200 0.016 0.000 0.897 7 S CB 3.542 66.816 63.200 0.124 0.000 1.094 7 S HN 0.144 8.484 8.310 0.050 0.000 0.473 8 E N 1.430 121.613 120.200 -0.028 0.000 2.232 8 E HA 0.655 nan 4.350 nan 0.000 0.264 8 E C -1.723 174.858 176.600 -0.031 0.000 0.973 8 E CA -1.593 54.798 56.400 -0.014 0.000 0.849 8 E CB 2.438 32.123 29.700 -0.027 0.000 1.198 8 E HN 0.096 8.430 8.360 -0.043 0.000 0.407 9 S N 0.011 115.717 115.700 0.011 0.000 2.661 9 S HA 0.459 nan 4.470 nan 0.000 0.285 9 S C -2.293 172.371 174.600 0.107 0.000 1.138 9 S CA -1.537 56.685 58.200 0.036 0.000 0.855 9 S CB 3.154 66.390 63.200 0.060 0.000 1.136 9 S HN 0.270 8.508 8.310 0.052 0.103 0.484 10 V N -4.289 115.699 119.914 0.123 0.000 3.126 10 V HA 0.955 nan 4.120 nan 0.000 0.314 10 V C -1.788 174.425 176.094 0.198 0.000 1.138 10 V CA -3.634 58.759 62.300 0.155 0.000 1.034 10 V CB 3.592 35.449 31.823 0.057 0.000 1.075 10 V HN 0.324 8.590 8.190 0.127 0.000 0.442 11 S N -0.203 115.642 115.700 0.242 0.000 2.681 11 S HA 0.332 nan 4.470 nan 0.000 0.270 11 S C 0.209 174.852 174.600 0.072 0.000 1.209 11 S CA -1.243 57.112 58.200 0.260 0.000 0.988 11 S CB 1.730 65.106 63.200 0.292 0.000 1.006 11 S HN -0.133 8.335 8.310 0.264 0.000 0.558 12 E N -1.127 119.059 120.200 -0.023 0.000 2.467 12 E HA -0.456 nan 4.350 nan 0.000 0.264 12 E C 1.407 178.078 176.600 0.119 0.000 1.020 12 E CA 0.720 57.119 56.400 -0.002 0.000 0.945 12 E CB -0.552 29.184 29.700 0.060 0.000 0.942 12 E HN -0.269 8.140 8.360 0.082 0.000 0.449 13 G N 1.684 110.578 108.800 0.157 0.000 2.212 13 G HA2 -0.569 nan 3.960 nan 0.000 0.266 13 G HA3 -0.569 nan 3.960 nan 0.000 0.266 13 G C -0.486 174.582 174.900 0.280 0.000 0.978 13 G CA 0.881 46.162 45.100 0.303 0.000 0.632 13 G HN 0.535 9.017 8.290 0.118 -0.122 0.537 14 H N 4.311 123.461 119.070 0.134 0.000 3.034 14 H HA 0.106 nan 4.556 nan 0.000 0.324 14 H C -0.802 174.531 175.328 0.008 0.000 1.015 14 H CA -0.571 55.530 56.048 0.088 0.000 1.429 14 H CB 0.519 30.317 29.762 0.061 0.000 1.429 14 H HN -0.641 7.743 8.280 0.269 0.057 0.585 15 P HA -0.262 nan 4.420 nan 0.000 0.216 15 P C 0.922 178.264 177.300 0.071 0.000 1.150 15 P CA 2.748 65.812 63.100 -0.060 0.000 0.843 15 P CB 0.215 31.789 31.700 -0.209 0.000 0.787 16 D N -1.448 119.108 120.400 0.261 0.000 2.144 16 D HA -0.221 nan 4.640 nan 0.000 0.200 16 D C 2.115 178.421 176.300 0.011 0.000 0.978 16 D CA 3.342 57.366 54.000 0.040 0.000 0.833 16 D CB -0.986 39.786 40.800 -0.046 0.000 0.961 16 D HN 0.433 9.095 8.370 0.487 0.000 0.470 17 K N 0.242 120.667 120.400 0.042 0.000 2.211 17 K HA -0.154 nan 4.320 nan 0.000 0.203 17 K C 2.304 178.913 176.600 0.015 0.000 1.050 17 K CA 2.043 58.329 56.287 -0.000 0.000 0.945 17 K CB -0.424 32.062 32.500 -0.023 0.000 0.732 17 K HN -0.540 7.787 8.250 0.141 0.009 0.451 18 I N -0.318 120.271 120.570 0.030 0.000 2.179 18 I HA -0.522 nan 4.170 nan 0.000 0.242 18 I C 1.132 177.254 176.117 0.009 0.000 1.088 18 I CA 4.040 65.351 61.300 0.018 0.000 1.357 18 I CB -0.325 37.654 38.000 -0.035 0.000 1.051 18 I HN -0.511 7.612 8.210 0.051 0.118 0.409 19 A N -0.243 122.570 122.820 -0.011 0.000 1.908 19 A HA -0.440 nan 4.320 nan 0.000 0.218 19 A C 1.804 179.397 177.584 0.016 0.000 1.181 19 A CA 3.605 55.641 52.037 -0.001 0.000 0.627 19 A CB -1.165 17.822 19.000 -0.022 0.000 0.818 19 A HN -0.362 7.694 8.150 -0.021 0.081 0.445 20 D N -1.395 119.012 120.400 0.011 0.000 2.097 20 D HA -0.344 nan 4.640 nan 0.000 0.195 20 D C 2.647 178.972 176.300 0.042 0.000 0.989 20 D CA 3.880 57.896 54.000 0.027 0.000 0.827 20 D CB -0.308 40.508 40.800 0.026 0.000 0.966 20 D HN -0.131 8.169 8.370 0.000 0.070 0.456 21 Q N -0.340 119.480 119.800 0.033 0.000 2.050 21 Q HA -0.309 nan 4.340 nan 0.000 0.202 21 Q C 2.889 178.924 176.000 0.057 0.000 0.980 21 Q CA 3.139 58.968 55.803 0.043 0.000 0.840 21 Q CB 0.203 28.963 28.738 0.037 0.000 0.898 21 Q HN -0.299 7.983 8.270 0.021 0.000 0.424 22 I N 0.324 120.928 120.570 0.057 0.000 2.163 22 I HA -0.606 nan 4.170 nan 0.000 0.243 22 I C 1.938 178.090 176.117 0.059 0.000 1.085 22 I CA 4.169 65.507 61.300 0.064 0.000 1.347 22 I CB -0.458 37.582 38.000 0.067 0.000 1.044 22 I HN 0.333 8.573 8.210 0.049 0.000 0.408 23 S N 0.633 116.363 115.700 0.051 0.000 2.359 23 S HA -0.423 nan 4.470 nan 0.000 0.223 23 S C 2.432 177.063 174.600 0.051 0.000 1.039 23 S CA 4.354 62.581 58.200 0.044 0.000 1.042 23 S CB -0.512 62.709 63.200 0.036 0.000 0.915 23 S HN -0.090 8.248 8.310 0.047 0.000 0.439 24 D N 0.686 121.126 120.400 0.068 0.000 2.269 24 D HA -0.087 nan 4.640 nan 0.000 0.208 24 D C 1.798 178.158 176.300 0.100 0.000 0.963 24 D CA 2.818 56.875 54.000 0.094 0.000 0.864 24 D CB -0.315 40.565 40.800 0.134 0.000 0.936 24 D HN 0.149 8.559 8.370 0.067 0.000 0.505 25 A N 0.076 122.946 122.820 0.084 0.000 1.968 25 A HA -0.100 nan 4.320 nan 0.000 0.217 25 A C 2.367 179.996 177.584 0.076 0.000 1.169 25 A CA 3.108 55.195 52.037 0.083 0.000 0.638 25 A CB -0.475 18.571 19.000 0.077 0.000 0.812 25 A HN 0.194 8.255 8.150 0.075 0.134 0.446 26 V N 0.772 120.725 119.914 0.064 0.000 2.307 26 V HA -0.375 nan 4.120 nan 0.000 0.245 26 V C 1.532 177.656 176.094 0.050 0.000 1.045 26 V CA 4.325 66.657 62.300 0.054 0.000 1.024 26 V CB -0.766 31.083 31.823 0.043 0.000 0.651 26 V HN -0.037 8.190 8.190 0.062 0.000 0.449 27 L N -0.519 120.733 121.223 0.049 0.000 2.012 27 L HA -0.462 nan 4.340 nan 0.000 0.210 27 L C 1.381 178.301 176.870 0.082 0.000 1.073 27 L CA 3.615 58.479 54.840 0.040 0.000 0.748 27 L CB -0.704 41.366 42.059 0.019 0.000 0.891 27 L HN -0.221 7.971 8.230 0.051 0.069 0.431 28 D N -1.051 119.424 120.400 0.124 0.000 2.092 28 D HA -0.415 nan 4.640 nan 0.000 0.193 28 D C 2.313 178.675 176.300 0.102 0.000 0.994 28 D CA 3.724 57.811 54.000 0.144 0.000 0.828 28 D CB -0.663 40.219 40.800 0.138 0.000 0.963 28 D HN 0.219 8.665 8.370 0.128 0.000 0.450 29 A N -0.985 121.884 122.820 0.083 0.000 1.940 29 A HA -0.246 nan 4.320 nan 0.000 0.219 29 A C 2.473 180.092 177.584 0.059 0.000 1.176 29 A CA 2.896 54.975 52.037 0.070 0.000 0.631 29 A CB -0.516 18.524 19.000 0.067 0.000 0.814 29 A HN -0.518 7.682 8.150 0.083 0.000 0.446 30 I N -1.235 119.362 120.570 0.046 0.000 2.235 30 I HA -0.445 nan 4.170 nan 0.000 0.241 30 I C 1.750 177.884 176.117 0.027 0.000 1.085 30 I CA 3.815 65.128 61.300 0.022 0.000 1.378 30 I CB 0.253 38.252 38.000 -0.003 0.000 1.076 30 I HN -0.166 7.962 8.210 0.048 0.111 0.415 31 L N -0.602 120.646 121.223 0.042 0.000 2.137 31 L HA -0.457 nan 4.340 nan 0.000 0.213 31 L C 1.919 178.822 176.870 0.055 0.000 1.085 31 L CA 3.055 57.925 54.840 0.051 0.000 0.760 31 L CB -0.564 41.555 42.059 0.100 0.000 0.893 31 L HN -0.055 8.205 8.230 0.050 0.000 0.434 32 E N -1.763 118.476 120.200 0.067 0.000 2.110 32 E HA -0.285 nan 4.350 nan 0.000 0.193 32 E C 1.474 178.107 176.600 0.054 0.000 0.988 32 E CA 2.197 58.638 56.400 0.068 0.000 0.804 32 E CB 0.199 29.941 29.700 0.070 0.000 0.745 32 E HN -0.120 8.164 8.360 0.071 0.119 0.458 33 Q N -3.323 116.504 119.800 0.046 0.000 2.339 33 Q HA -0.048 nan 4.340 nan 0.000 0.205 33 Q C -0.155 175.859 176.000 0.024 0.000 0.925 33 Q CA 0.943 56.770 55.803 0.040 0.000 0.898 33 Q CB 1.935 30.700 28.738 0.045 0.000 1.013 33 Q HN -0.644 7.542 8.270 0.044 0.110 0.504 34 D N -2.445 117.962 120.400 0.012 0.000 2.411 34 D HA 0.401 nan 4.640 nan 0.000 0.239 34 D C -1.617 174.678 176.300 -0.009 0.000 1.307 34 D CA -2.631 51.367 54.000 -0.004 0.000 0.930 34 D CB 0.919 41.705 40.800 -0.022 0.000 1.395 34 D HN -0.313 7.961 8.370 0.016 0.105 0.536 35 P HA -0.186 nan 4.420 nan 0.000 0.221 35 P C 0.380 177.660 177.300 -0.034 0.000 1.145 35 P CA 1.262 64.344 63.100 -0.031 0.000 0.795 35 P CB 0.445 32.109 31.700 -0.061 0.000 0.775 36 K N -3.113 117.273 120.400 -0.023 0.000 2.417 36 K HA -0.011 nan 4.320 nan 0.000 0.196 36 K C -0.189 176.398 176.600 -0.023 0.000 1.023 36 K CA -1.065 55.213 56.287 -0.016 0.000 1.122 36 K CB -0.125 32.376 32.500 0.002 0.000 0.850 36 K HN -0.767 7.604 8.250 -0.019 -0.132 0.521 37 A N 0.435 123.235 122.820 -0.033 0.000 2.540 37 A HA -0.058 nan 4.320 nan 0.000 0.239 37 A C -0.709 176.844 177.584 -0.052 0.000 1.061 37 A CA 0.825 52.836 52.037 -0.044 0.000 0.758 37 A CB 0.485 19.457 19.000 -0.048 0.000 0.991 37 A HN -0.442 7.585 8.150 -0.030 0.104 0.502 38 R N 3.417 123.886 120.500 -0.052 0.000 2.221 38 R HA 0.219 nan 4.340 nan 0.000 0.327 38 R C -1.658 174.602 176.300 -0.066 0.000 1.033 38 R CA -1.236 54.829 56.100 -0.059 0.000 0.887 38 R CB 0.795 31.069 30.300 -0.042 0.000 1.057 38 R HN -0.236 8.005 8.270 -0.050 0.000 0.455 39 V N 4.257 124.124 119.914 -0.078 0.000 2.789 39 V HA 0.784 nan 4.120 nan 0.000 0.311 39 V C -2.176 173.874 176.094 -0.074 0.000 1.073 39 V CA -1.167 61.091 62.300 -0.070 0.000 0.921 39 V CB 4.300 36.084 31.823 -0.066 0.000 1.009 39 V HN 0.044 8.452 8.190 -0.096 -0.276 0.426 40 A N 5.382 128.169 122.820 -0.056 0.000 2.651 40 A HA 0.471 nan 4.320 nan 0.000 0.290 40 A C -3.108 174.457 177.584 -0.031 0.000 1.185 40 A CA -0.977 51.031 52.037 -0.050 0.000 0.746 40 A CB 1.713 20.685 19.000 -0.047 0.000 1.213 40 A HN 0.374 8.495 8.150 -0.048 0.000 0.429 41 C N 4.271 123.557 119.300 -0.023 0.000 2.293 41 C HA 0.586 nan 4.460 nan 0.000 0.323 41 C C -1.228 173.767 174.990 0.007 0.000 1.240 41 C CA -2.232 56.783 59.018 -0.005 0.000 1.497 41 C CB 0.792 28.531 27.740 -0.001 0.000 2.171 41 C HN 0.430 8.527 8.230 -0.029 0.116 0.465 42 E N 9.079 129.288 120.200 0.015 0.000 2.204 42 E HA 0.388 nan 4.350 nan 0.000 0.276 42 E C -1.565 175.066 176.600 0.051 0.000 0.974 42 E CA -1.146 55.270 56.400 0.027 0.000 0.815 42 E CB 3.525 33.241 29.700 0.027 0.000 1.119 42 E HN 0.570 8.937 8.360 0.012 0.000 0.393 43 T N 3.177 117.771 114.554 0.066 0.000 2.893 43 T HA 0.686 nan 4.350 nan 0.000 0.291 43 T C -2.242 172.542 174.700 0.140 0.000 1.028 43 T CA -0.750 61.406 62.100 0.093 0.000 0.995 43 T CB 2.580 71.486 68.868 0.063 0.000 1.051 43 T HN 0.314 8.586 8.240 0.054 0.000 0.470 44 Y N 4.806 125.108 120.300 0.003 0.000 2.406 44 Y HA 0.636 nan 4.550 nan 0.000 0.340 44 Y C -2.863 173.035 175.900 -0.004 0.000 0.975 44 Y CA -1.356 56.742 58.100 -0.004 0.000 1.056 44 Y CB 3.591 42.051 38.460 0.001 0.000 1.210 44 Y HN 0.306 8.728 8.280 0.237 0.000 0.448 45 V N 5.298 125.119 119.914 -0.155 0.000 2.638 45 V HA 0.551 nan 4.120 nan 0.000 0.306 45 V C -2.059 173.932 176.094 -0.171 0.000 1.052 45 V CA -2.040 60.206 62.300 -0.089 0.000 0.885 45 V CB 2.715 34.415 31.823 -0.206 0.000 0.999 45 V HN 0.870 8.790 8.190 -0.450 0.000 0.424 46 K N 5.920 126.311 120.400 -0.016 0.000 2.533 46 K HA 0.457 nan 4.320 nan 0.000 0.284 46 K C -0.094 176.565 176.600 0.099 0.000 1.025 46 K CA -0.939 55.354 56.287 0.011 0.000 0.900 46 K CB 3.325 35.913 32.500 0.146 0.000 1.519 46 K HN 0.153 8.452 8.250 0.080 0.000 0.432 47 T N -1.163 113.448 114.554 0.095 0.000 2.759 47 T HA -0.094 nan 4.350 nan 0.000 0.269 47 T C 0.177 175.039 174.700 0.271 0.000 1.042 47 T CA 2.139 64.331 62.100 0.152 0.000 1.140 47 T CB 0.099 69.018 68.868 0.086 0.000 0.864 47 T HN 0.347 8.625 8.240 0.063 0.000 0.455 51 L N 6.180 127.492 121.223 0.149 0.000 2.349 51 L HA 0.854 nan 4.340 nan 0.000 0.278 51 L C -2.824 174.100 176.870 0.091 0.000 0.996 51 L CA -0.723 54.173 54.840 0.093 0.000 0.825 51 L CB 2.894 44.982 42.059 0.048 0.000 1.243 51 L HN 0.259 8.605 8.230 0.193 0.000 0.412 52 V N 6.320 126.273 119.914 0.065 0.000 2.444 52 V HA 0.863 nan 4.120 nan 0.000 0.294 52 V C -2.347 173.770 176.094 0.038 0.000 1.022 52 V CA -2.666 59.669 62.300 0.058 0.000 0.850 52 V CB 3.255 35.115 31.823 0.061 0.000 0.992 52 V HN 0.957 9.180 8.190 0.055 0.000 0.426 53 G N 7.090 115.907 108.800 0.029 0.000 2.719 53 G HA2 0.767 nan 3.960 nan 0.000 0.298 53 G HA3 0.767 nan 3.960 nan 0.000 0.298 53 G C -2.905 172.000 174.900 0.008 0.000 1.411 53 G CA -0.797 44.310 45.100 0.013 0.000 0.991 53 G HN 0.410 8.722 8.290 0.036 0.000 0.509 54 G N -0.855 107.945 108.800 -0.001 0.000 2.356 54 G HA2 0.430 nan 3.960 nan 0.000 0.294 54 G HA3 0.430 nan 3.960 nan 0.000 0.294 54 G C -2.723 172.167 174.900 -0.017 0.000 1.423 54 G CA 0.489 45.583 45.100 -0.009 0.000 0.806 54 G HN -0.243 8.045 8.290 -0.002 0.000 0.527 55 E N -0.946 119.240 120.200 -0.024 0.000 2.204 55 E HA 0.903 nan 4.350 nan 0.000 0.276 55 E C -0.878 175.698 176.600 -0.040 0.000 0.974 55 E CA -1.895 54.486 56.400 -0.031 0.000 0.815 55 E CB 2.640 32.322 29.700 -0.030 0.000 1.119 55 E HN -0.363 7.983 8.360 -0.025 0.000 0.393 56 I N -3.273 117.266 120.570 -0.051 0.000 2.582 56 I HA 0.804 nan 4.170 nan 0.000 0.292 56 I C -1.548 174.524 176.117 -0.076 0.000 1.066 56 I CA -1.839 59.423 61.300 -0.063 0.000 1.053 56 I CB 3.019 40.976 38.000 -0.070 0.000 1.241 56 I HN 0.659 8.837 8.210 -0.052 0.000 0.421 57 T N 7.969 122.479 114.554 -0.074 0.000 2.912 57 T HA 0.614 nan 4.350 nan 0.000 0.326 57 T C -1.893 172.755 174.700 -0.087 0.000 1.080 57 T CA -0.759 61.295 62.100 -0.076 0.000 1.000 57 T CB 0.150 68.985 68.868 -0.055 0.000 1.008 57 T HN 0.699 8.898 8.240 -0.067 0.000 0.473 58 T N 6.880 121.360 114.554 -0.123 0.000 2.769 58 T HA 0.551 nan 4.350 nan 0.000 0.306 58 T C -0.763 173.824 174.700 -0.189 0.000 1.400 58 T CA -1.571 60.450 62.100 -0.132 0.000 1.007 58 T CB 2.580 71.368 68.868 -0.133 0.000 1.392 58 T HN 0.692 8.846 8.240 -0.144 0.000 0.500 59 S N 2.810 118.413 115.700 -0.162 0.000 2.503 59 S HA 0.178 nan 4.470 nan 0.000 0.215 59 S C 1.081 175.509 174.600 -0.287 0.000 1.003 59 S CA 1.040 59.123 58.200 -0.195 0.000 0.910 59 S CB 0.427 63.580 63.200 -0.078 0.000 0.790 59 S HN 0.157 8.675 8.310 -0.113 -0.276 0.514 60 A N 3.457 126.149 122.820 -0.214 0.000 2.507 60 A HA -0.107 nan 4.320 nan 0.000 0.235 60 A C -1.791 175.620 177.584 -0.288 0.000 1.070 60 A CA 1.023 52.974 52.037 -0.142 0.000 0.768 60 A CB 0.490 19.450 19.000 -0.067 0.000 1.011 60 A HN -0.291 7.762 8.150 -0.162 0.000 0.502 61 W N 1.031 122.341 121.300 0.016 0.000 2.600 61 W HA 0.129 nan 4.660 nan 0.000 0.325 61 W C -1.474 175.056 176.519 0.019 0.000 1.034 61 W CA -0.952 56.403 57.345 0.016 0.000 1.226 61 W CB 2.442 31.910 29.460 0.014 0.000 1.379 61 W HN -0.530 8.057 8.180 0.205 -0.284 0.466 62 V N 0.017 120.087 119.914 0.259 0.000 3.114 62 V HA 0.257 nan 4.120 nan 0.000 0.308 62 V C -1.981 174.204 176.094 0.153 0.000 1.168 62 V CA -2.261 60.135 62.300 0.160 0.000 1.015 62 V CB 3.534 35.414 31.823 0.096 0.000 1.050 62 V HN -0.105 8.260 8.190 0.293 0.000 0.433 63 D N 1.475 121.942 120.400 0.112 0.000 2.443 63 D HA 0.243 nan 4.640 nan 0.000 0.221 63 D C 0.226 176.574 176.300 0.079 0.000 1.097 63 D CA -1.071 52.986 54.000 0.094 0.000 0.865 63 D CB 0.216 41.060 40.800 0.074 0.000 1.034 63 D HN 0.104 8.533 8.370 0.099 0.000 0.511 64 I N 5.904 126.521 120.570 0.079 0.000 2.394 64 I HA -0.462 nan 4.170 nan 0.000 0.251 64 I C 1.246 177.402 176.117 0.065 0.000 1.136 64 I CA 2.729 64.071 61.300 0.069 0.000 1.425 64 I CB 0.413 38.451 38.000 0.064 0.000 1.079 64 I HN 0.453 8.716 8.210 0.089 0.000 0.425 65 E N -0.332 119.905 120.200 0.061 0.000 2.047 65 E HA -0.393 nan 4.350 nan 0.000 0.191 65 E C 1.874 178.508 176.600 0.057 0.000 0.987 65 E CA 4.060 60.493 56.400 0.055 0.000 0.799 65 E CB -0.227 29.500 29.700 0.045 0.000 0.752 65 E HN -0.164 8.416 8.360 0.062 -0.183 0.449 66 E N 0.106 120.339 120.200 0.055 0.000 2.028 66 E HA -0.269 nan 4.350 nan 0.000 0.191 66 E C 2.448 179.084 176.600 0.060 0.000 0.988 66 E CA 2.853 59.285 56.400 0.053 0.000 0.799 66 E CB 0.010 29.741 29.700 0.050 0.000 0.755 66 E HN -0.527 8.210 8.360 0.055 -0.344 0.447 67 I N -1.055 119.553 120.570 0.064 0.000 2.185 67 I HA -0.611 nan 4.170 nan 0.000 0.246 67 I C 2.143 178.305 176.117 0.075 0.000 1.088 67 I CA 4.237 65.578 61.300 0.068 0.000 1.347 67 I CB -0.237 37.804 38.000 0.068 0.000 1.041 67 I HN 0.426 8.675 8.210 0.064 0.000 0.415 68 T N 1.879 116.480 114.554 0.078 0.000 2.652 68 T HA -0.361 nan 4.350 nan 0.000 0.267 68 T C 2.140 176.903 174.700 0.105 0.000 1.039 68 T CA 4.886 67.042 62.100 0.093 0.000 1.153 68 T CB -0.687 68.237 68.868 0.094 0.000 0.863 68 T HN 0.011 8.289 8.240 0.073 0.006 0.428 69 R N 0.196 120.749 120.500 0.089 0.000 2.115 69 R HA -0.321 nan 4.340 nan 0.000 0.230 69 R C 2.495 178.849 176.300 0.090 0.000 1.111 69 R CA 3.526 59.679 56.100 0.089 0.000 0.976 69 R CB -0.298 30.039 30.300 0.062 0.000 0.870 69 R HN -0.017 8.299 8.270 0.076 0.000 0.445 70 N N -0.530 118.216 118.700 0.078 0.000 2.216 70 N HA -0.096 nan 4.740 nan 0.000 0.183 70 N C 2.041 177.601 175.510 0.083 0.000 1.017 70 N CA 3.157 56.250 53.050 0.072 0.000 0.861 70 N CB -0.303 38.220 38.487 0.060 0.000 0.986 70 N HN -0.022 8.385 8.380 0.074 0.017 0.428 71 T N 4.453 119.062 114.554 0.091 0.000 2.777 71 T HA -0.194 nan 4.350 nan 0.000 0.266 71 T C 1.995 176.769 174.700 0.123 0.000 1.040 71 T CA 4.908 67.066 62.100 0.097 0.000 1.141 71 T CB -0.245 68.680 68.868 0.094 0.000 0.868 71 T HN -0.292 8.002 8.240 0.089 0.000 0.444 72 V N 1.945 121.953 119.914 0.156 0.000 2.626 72 V HA -0.363 nan 4.120 nan 0.000 0.252 72 V C 1.475 177.699 176.094 0.216 0.000 1.067 72 V CA 4.045 66.483 62.300 0.229 0.000 1.081 72 V CB -1.091 30.922 31.823 0.316 0.000 0.686 72 V HN 0.036 8.314 8.190 0.146 0.000 0.468 73 R N -0.857 119.730 120.500 0.145 0.000 2.093 73 R HA -0.236 nan 4.340 nan 0.000 0.224 73 R C 1.957 178.301 176.300 0.073 0.000 1.101 73 R CA 3.051 59.214 56.100 0.105 0.000 0.979 73 R CB -0.044 30.302 30.300 0.077 0.000 0.877 73 R HN -0.308 7.928 8.270 0.129 0.112 0.441 74 E N -1.690 118.552 120.200 0.070 0.000 2.106 74 E HA -0.203 nan 4.350 nan 0.000 0.192 74 E C 2.086 178.710 176.600 0.040 0.000 0.984 74 E CA 2.692 59.122 56.400 0.050 0.000 0.806 74 E CB 0.250 29.984 29.700 0.056 0.000 0.750 74 E HN -0.509 7.898 8.360 0.079 0.000 0.458 75 I N -2.901 117.705 120.570 0.060 0.000 2.226 75 I HA -0.499 nan 4.170 nan 0.000 0.245 75 I C 0.879 176.944 176.117 -0.087 0.000 1.100 75 I CA 3.175 64.493 61.300 0.031 0.000 1.374 75 I CB 0.485 38.555 38.000 0.117 0.000 1.057 75 I HN -0.637 7.616 8.210 0.091 0.011 0.413 76 G N -4.877 103.889 108.800 -0.056 0.000 2.147 76 G HA2 -0.305 nan 3.960 nan 0.000 0.128 76 G HA3 -0.305 nan 3.960 nan 0.000 0.128 76 G C -0.712 174.118 174.900 -0.118 0.000 1.026 76 G CA -0.551 44.487 45.100 -0.104 0.000 0.693 76 G HN -0.560 7.763 8.290 0.054 0.000 0.499 77 Y N 0.890 121.263 120.300 0.121 0.000 2.535 77 Y HA -0.013 nan 4.550 nan 0.000 0.349 77 Y C -1.334 174.659 175.900 0.155 0.000 0.992 77 Y CA 0.349 58.552 58.100 0.171 0.000 1.248 77 Y CB -0.578 38.051 38.460 0.281 0.000 1.124 77 Y HN -0.474 7.961 8.280 0.257 0.000 0.520 78 V N 5.013 125.077 119.914 0.250 0.000 3.382 78 V HA 0.194 nan 4.120 nan 0.000 0.296 78 V C -1.304 174.887 176.094 0.161 0.000 1.529 78 V CA -0.614 61.774 62.300 0.147 0.000 1.048 78 V CB 0.667 32.533 31.823 0.072 0.000 0.878 78 V HN 0.413 8.755 8.190 0.254 0.000 0.442 79 H N -0.182 118.941 119.070 0.089 0.000 3.085 79 H HA 0.307 nan 4.556 nan 0.000 0.356 79 H C -0.105 175.262 175.328 0.065 0.000 1.178 79 H CA -1.323 54.759 56.048 0.056 0.000 1.214 79 H CB 3.570 33.362 29.762 0.050 0.000 1.881 79 H HN -0.878 7.574 8.280 0.287 0.000 0.538 80 S N 3.902 119.581 115.700 -0.036 0.000 2.383 80 S HA -0.333 nan 4.470 nan 0.000 0.229 80 S C 0.416 174.958 174.600 -0.097 0.000 1.030 80 S CA 2.001 60.149 58.200 -0.085 0.000 1.002 80 S CB -0.004 63.131 63.200 -0.109 0.000 0.829 80 S HN 0.493 8.808 8.310 0.008 0.000 0.467 84 F N 0.777 120.725 119.950 -0.002 0.000 2.639 84 F HA 0.158 nan 4.527 nan 0.000 0.320 84 F C -2.556 173.295 175.800 0.085 0.000 1.128 84 F CA 0.173 58.148 58.000 -0.041 0.000 1.037 84 F CB 3.178 42.019 39.000 -0.265 0.000 1.288 84 F HN -0.621 7.873 8.300 0.323 0.000 0.463 85 D N 5.092 125.350 120.400 -0.238 0.000 2.408 85 D HA 0.375 nan 4.640 nan 0.000 0.243 85 D C -0.477 175.710 176.300 -0.187 0.000 1.075 85 D CA -1.928 52.028 54.000 -0.074 0.000 0.832 85 D CB 1.979 42.763 40.800 -0.028 0.000 1.162 85 D HN 0.054 8.088 8.370 -0.560 0.000 0.515 86 A N 6.591 129.429 122.820 0.029 0.000 2.024 86 A HA -0.285 nan 4.320 nan 0.000 0.220 86 A C 1.468 179.050 177.584 -0.003 0.000 1.164 86 A CA 3.083 55.155 52.037 0.059 0.000 0.643 86 A CB 0.016 19.092 19.000 0.127 0.000 0.806 86 A HN 0.808 8.941 8.150 0.137 0.100 0.451 87 N N -3.030 115.663 118.700 -0.013 0.000 2.373 87 N HA -0.002 nan 4.740 nan 0.000 0.181 87 N C 0.708 176.196 175.510 -0.037 0.000 1.082 87 N CA 2.159 55.202 53.050 -0.011 0.000 0.885 87 N CB 0.722 39.210 38.487 0.002 0.000 0.977 87 N HN -0.008 8.671 8.380 -0.005 -0.302 0.462 88 S N -1.586 114.064 115.700 -0.083 0.000 2.687 88 S HA 0.182 nan 4.470 nan 0.000 0.247 88 S C 0.990 175.505 174.600 -0.142 0.000 1.050 88 S CA -0.025 58.122 58.200 -0.088 0.000 1.063 88 S CB 1.614 64.776 63.200 -0.064 0.000 1.039 88 S HN -0.362 7.776 8.310 -0.114 0.103 0.580 89 C N 2.246 121.392 119.300 -0.256 0.000 2.727 89 C HA 0.229 nan 4.460 nan 0.000 0.401 89 C C -0.363 174.559 174.990 -0.114 0.000 1.294 89 C CA -2.001 56.837 59.018 -0.301 0.000 2.134 89 C CB 0.243 27.602 27.740 -0.634 0.000 2.724 89 C HN -0.149 7.896 8.230 -0.308 0.000 0.677 90 A N 0.318 123.105 122.820 -0.054 0.000 2.354 90 A HA 0.318 nan 4.320 nan 0.000 0.269 90 A C -1.734 175.874 177.584 0.041 0.000 1.109 90 A CA -0.113 51.925 52.037 0.001 0.000 0.800 90 A CB 0.987 19.996 19.000 0.016 0.000 1.045 90 A HN 0.356 8.471 8.150 -0.059 0.000 0.489 91 V N 1.678 121.616 119.914 0.041 0.000 2.531 91 V HA 0.568 nan 4.120 nan 0.000 0.301 91 V C -0.810 175.314 176.094 0.049 0.000 1.034 91 V CA -0.755 61.582 62.300 0.061 0.000 0.865 91 V CB 1.101 32.959 31.823 0.059 0.000 0.995 91 V HN 0.112 8.319 8.190 0.028 0.000 0.424 92 L N 8.319 129.573 121.223 0.052 0.000 2.381 92 L HA 0.478 nan 4.340 nan 0.000 0.268 92 L C -1.168 175.725 176.870 0.038 0.000 0.997 92 L CA -0.556 54.306 54.840 0.037 0.000 0.818 92 L CB 4.216 46.291 42.059 0.026 0.000 1.310 92 L HN 0.604 8.873 8.230 0.065 0.000 0.416 93 S N 3.239 118.959 115.700 0.033 0.000 2.503 93 S HA 0.621 nan 4.470 nan 0.000 0.301 93 S C -1.281 173.331 174.600 0.020 0.000 1.087 93 S CA -0.819 57.400 58.200 0.031 0.000 1.042 93 S CB 1.219 64.442 63.200 0.038 0.000 1.043 93 S HN 0.259 8.588 8.310 0.032 0.000 0.489 94 A N 4.893 127.721 122.820 0.014 0.000 3.258 94 A HA 0.267 nan 4.320 nan 0.000 0.318 94 A C -1.644 175.943 177.584 0.004 0.000 0.990 94 A CA -0.145 51.896 52.037 0.006 0.000 0.885 94 A CB 0.721 19.717 19.000 -0.006 0.000 1.090 94 A HN 0.787 8.840 8.150 0.016 0.106 0.479 95 I N 2.124 122.699 120.570 0.009 0.000 2.331 95 I HA 0.318 nan 4.170 nan 0.000 0.292 95 I C -0.331 175.783 176.117 -0.005 0.000 0.998 95 I CA -0.527 60.773 61.300 0.001 0.000 1.267 95 I CB 1.666 39.670 38.000 0.006 0.000 1.386 95 I HN -0.059 8.160 8.210 0.016 0.000 0.476 96 G N 6.780 115.570 108.800 -0.015 0.000 2.370 96 G HA2 0.346 nan 3.960 nan 0.000 0.317 96 G HA3 0.346 nan 3.960 nan 0.000 0.317 96 G C -2.589 172.289 174.900 -0.036 0.000 1.162 96 G CA -1.016 44.072 45.100 -0.019 0.000 0.922 96 G HN 0.598 8.877 8.290 -0.018 0.000 0.454 97 K N 3.052 123.424 120.400 -0.046 0.000 2.138 97 K HA 0.619 nan 4.320 nan 0.000 0.263 97 K C -1.007 175.550 176.600 -0.071 0.000 0.965 97 K CA -0.822 55.416 56.287 -0.081 0.000 0.868 97 K CB 1.515 33.938 32.500 -0.129 0.000 1.083 97 K HN 0.215 8.445 8.250 -0.033 0.000 0.443 98 Q N 4.559 124.312 119.800 -0.079 0.000 2.413 98 Q HA 0.411 nan 4.340 nan 0.000 0.276 98 Q C -2.135 173.812 176.000 -0.088 0.000 1.099 98 Q CA -1.511 54.253 55.803 -0.066 0.000 0.814 98 Q CB 4.635 33.344 28.738 -0.047 0.000 1.379 98 Q HN 0.624 8.841 8.270 -0.089 0.000 0.436 99 S N 2.642 118.299 115.700 -0.071 0.000 2.449 99 S HA 0.527 nan 4.470 nan 0.000 0.310 99 S C -2.220 172.351 174.600 -0.049 0.000 1.096 99 S CA -2.456 55.699 58.200 -0.075 0.000 1.095 99 S CB 0.934 64.098 63.200 -0.061 0.000 1.007 99 S HN 0.162 8.441 8.310 -0.052 0.000 0.474 100 P HA 0.137 nan 4.420 nan 0.000 0.271 100 P C -1.658 175.628 177.300 -0.023 0.000 1.216 100 P CA -0.006 63.075 63.100 -0.032 0.000 0.776 100 P CB 0.701 32.382 31.700 -0.031 0.000 0.881 109 A N 1.466 124.265 122.820 -0.035 0.000 1.975 109 A HA 0.008 nan 4.320 nan 0.000 0.215 109 A C -0.344 177.222 177.584 -0.029 0.000 1.170 109 A CA 0.981 53.001 52.037 -0.029 0.000 0.656 109 A CB 0.438 19.426 19.000 -0.020 0.000 0.821 109 A HN 0.554 8.686 8.150 -0.030 0.000 0.449 110 D N -1.274 119.108 120.400 -0.029 0.000 2.274 110 D HA 0.351 nan 4.640 nan 0.000 0.239 110 D C -1.432 174.842 176.300 -0.044 0.000 1.104 110 D CA -3.034 50.951 54.000 -0.025 0.000 0.840 110 D CB 1.148 41.940 40.800 -0.012 0.000 1.100 110 D HN -0.365 7.988 8.370 -0.029 0.000 0.477 111 P HA -0.198 nan 4.420 nan 0.000 0.216 111 P C 0.824 178.070 177.300 -0.090 0.000 1.154 111 P CA 2.068 65.109 63.100 -0.098 0.000 0.865 111 P CB 0.342 32.010 31.700 -0.053 0.000 0.789 112 L N -5.853 115.367 121.223 -0.006 0.000 2.265 112 L HA -0.294 nan 4.340 nan 0.000 0.215 112 L C 1.692 178.582 176.870 0.035 0.000 1.117 112 L CA 1.908 56.779 54.840 0.051 0.000 0.782 112 L CB -0.548 41.552 42.059 0.068 0.000 0.914 112 L HN -0.642 7.826 8.230 0.000 -0.239 0.441 113 E N -3.521 116.675 120.200 -0.008 0.000 2.502 113 E HA -0.211 nan 4.350 nan 0.000 0.194 113 E C -0.281 176.303 176.600 -0.027 0.000 1.062 113 E CA -0.131 56.267 56.400 -0.002 0.000 0.867 113 E CB -0.384 29.310 29.700 -0.009 0.000 0.888 113 E HN -0.481 7.718 8.360 -0.024 0.146 0.510 114 Q N -0.556 119.184 119.800 -0.100 0.000 2.304 114 Q HA 0.036 nan 4.340 nan 0.000 0.260 114 Q C 0.053 176.033 176.000 -0.034 0.000 0.965 114 Q CA -0.659 55.055 55.803 -0.148 0.000 0.898 114 Q CB 0.748 29.275 28.738 -0.351 0.000 1.196 114 Q HN -0.288 7.831 8.270 -0.134 0.071 0.402 115 G N 0.429 109.225 108.800 -0.007 0.000 2.554 115 G HA2 -0.053 nan 3.960 nan 0.000 0.238 115 G HA3 -0.053 nan 3.960 nan 0.000 0.238 115 G C -1.130 173.819 174.900 0.081 0.000 1.259 115 G CA -0.784 44.345 45.100 0.048 0.000 0.843 115 G HN 0.266 8.536 8.290 -0.034 0.000 0.582 116 A N 1.767 124.637 122.820 0.083 0.000 2.488 116 A HA 0.020 nan 4.320 nan 0.000 0.249 116 A C -0.241 177.355 177.584 0.021 0.000 1.083 116 A CA 0.446 52.500 52.037 0.029 0.000 0.768 116 A CB 0.631 19.639 19.000 0.014 0.000 1.017 116 A HN 0.355 8.566 8.150 0.100 0.000 0.496 117 G N 1.252 110.055 108.800 0.005 0.000 2.327 117 G HA2 0.042 nan 3.960 nan 0.000 0.302 117 G HA3 0.042 nan 3.960 nan 0.000 0.302 117 G C -1.871 173.007 174.900 -0.036 0.000 1.113 117 G CA -0.710 44.387 45.100 -0.006 0.000 0.921 117 G HN 0.459 8.750 8.290 0.000 0.000 0.425 118 D N 1.081 121.471 120.400 -0.017 0.000 10.739 118 D HA -0.349 nan 4.640 nan 0.000 0.334 118 D C -1.178 175.125 176.300 0.004 0.000 3.121 118 D CA 0.490 54.483 54.000 -0.012 0.000 2.717 118 D CB 1.581 42.367 40.800 -0.023 0.000 1.202 118 D HN -0.180 8.187 8.370 -0.004 0.000 0.937 119 Q N 2.771 122.588 119.800 0.028 0.000 2.414 119 Q HA 0.245 nan 4.340 nan 0.000 0.206 119 Q C -0.746 175.293 176.000 0.066 0.000 1.058 119 Q CA -0.211 55.630 55.803 0.064 0.000 1.025 119 Q CB 1.002 29.769 28.738 0.047 0.000 1.196 119 Q HN 0.216 8.497 8.270 0.019 0.000 0.586 120 G N -2.823 106.034 108.800 0.095 0.000 2.359 120 G HA2 0.154 nan 3.960 nan 0.000 0.293 120 G HA3 0.154 nan 3.960 nan 0.000 0.293 120 G C -2.982 171.971 174.900 0.087 0.000 1.300 120 G CA -0.316 44.832 45.100 0.080 0.000 0.888 120 G HN -0.194 8.160 8.290 0.106 0.000 0.541 124 G N 0.970 109.955 108.800 0.308 0.000 2.498 124 G HA2 0.427 nan 3.960 nan 0.000 0.312 124 G HA3 0.427 nan 3.960 nan 0.000 0.312 124 G C -3.368 171.578 174.900 0.076 0.000 1.230 124 G CA -0.727 44.501 45.100 0.214 0.000 0.968 124 G HN 0.467 8.916 8.290 0.264 0.000 0.481 125 Y N 0.790 120.867 120.300 -0.371 0.000 2.597 125 Y HA 0.732 nan 4.550 nan 0.000 0.340 125 Y C -2.754 173.013 175.900 -0.222 0.000 1.097 125 Y CA -0.928 56.910 58.100 -0.437 0.000 1.037 125 Y CB 3.955 41.896 38.460 -0.865 0.000 1.305 125 Y HN -0.229 8.034 8.280 -0.029 0.000 0.463 126 A N 1.737 124.302 122.820 -0.425 0.000 2.609 126 A HA 0.788 nan 4.320 nan 0.000 0.291 126 A C -2.818 174.453 177.584 -0.523 0.000 1.096 126 A CA -0.785 51.099 52.037 -0.255 0.000 0.684 126 A CB 4.012 22.929 19.000 -0.138 0.000 1.282 126 A HN 0.462 8.115 8.150 -0.829 0.000 0.412 127 T N -2.202 112.232 114.554 -0.199 0.000 2.957 127 T HA 0.363 nan 4.350 nan 0.000 0.336 127 T C -0.586 174.097 174.700 -0.028 0.000 1.462 127 T CA -1.031 60.975 62.100 -0.157 0.000 1.073 127 T CB 2.200 71.040 68.868 -0.046 0.000 1.319 127 T HN 0.005 8.108 8.240 -0.052 0.106 0.485 128 N N 5.473 124.162 118.700 -0.018 0.000 2.521 128 N HA -0.083 nan 4.740 nan 0.000 0.188 128 N C 1.029 176.567 175.510 0.046 0.000 1.146 128 N CA 1.028 54.087 53.050 0.016 0.000 0.893 128 N CB -0.528 37.966 38.487 0.011 0.000 0.975 128 N HN 0.415 8.775 8.380 -0.033 0.000 0.451 129 E N -1.384 118.850 120.200 0.056 0.000 2.401 129 E HA -0.141 nan 4.350 nan 0.000 0.199 129 E C 0.158 176.829 176.600 0.118 0.000 1.023 129 E CA 1.271 57.715 56.400 0.074 0.000 0.859 129 E CB -0.034 29.691 29.700 0.043 0.000 0.780 129 E HN -0.418 7.916 8.360 0.046 0.053 0.523 130 T N -5.394 109.231 114.554 0.118 0.000 2.907 130 T HA 0.271 nan 4.350 nan 0.000 0.290 130 T C 0.908 175.672 174.700 0.108 0.000 1.066 130 T CA -1.984 60.204 62.100 0.147 0.000 1.012 130 T CB 3.022 71.981 68.868 0.152 0.000 1.184 130 T HN -0.832 7.427 8.240 0.098 0.039 0.522 131 D N 0.646 121.110 120.400 0.106 0.000 2.133 131 D HA -0.340 nan 4.640 nan 0.000 0.192 131 D C 0.853 177.192 176.300 0.065 0.000 1.001 131 D CA 2.348 56.393 54.000 0.074 0.000 0.844 131 D CB -0.795 40.047 40.800 0.071 0.000 0.944 131 D HN 0.373 8.822 8.370 0.132 0.000 0.447 132 V N -7.118 112.843 119.914 0.078 0.000 3.633 132 V HA 0.259 nan 4.120 nan 0.000 0.283 132 V C -0.928 175.227 176.094 0.102 0.000 1.305 132 V CA -0.582 61.767 62.300 0.082 0.000 1.153 132 V CB -1.250 30.625 31.823 0.087 0.000 0.950 132 V HN -0.385 7.850 8.190 0.086 0.007 0.432 136 A N 3.147 125.904 122.820 -0.105 0.000 1.948 136 A HA -0.233 nan 4.320 nan 0.000 0.220 136 A C -1.103 176.353 177.584 -0.213 0.000 1.177 136 A CA 4.102 56.031 52.037 -0.179 0.000 0.636 136 A CB -1.969 16.684 19.000 -0.578 0.000 0.815 136 A HN 0.573 9.005 8.150 -0.117 -0.352 0.449 137 P HA -0.261 nan 4.420 nan 0.000 0.211 137 P C 1.106 178.490 177.300 0.140 0.000 1.179 137 P CA 3.164 66.293 63.100 0.049 0.000 0.910 137 P CB -0.403 31.388 31.700 0.152 0.000 0.785 138 I N -3.266 117.345 120.570 0.068 0.000 2.264 138 I HA -0.413 nan 4.170 nan 0.000 0.248 138 I C 1.327 177.429 176.117 -0.025 0.000 1.111 138 I CA 2.763 64.051 61.300 -0.019 0.000 1.382 138 I CB -0.237 37.782 38.000 0.032 0.000 1.060 138 I HN -0.022 8.234 8.210 0.076 0.000 0.418 139 T N 3.323 117.884 114.554 0.012 0.000 2.720 139 T HA -0.357 nan 4.350 nan 0.000 0.268 139 T C 2.245 176.775 174.700 -0.284 0.000 1.037 139 T CA 5.362 67.403 62.100 -0.097 0.000 1.144 139 T CB -0.620 68.118 68.868 -0.217 0.000 0.864 139 T HN -0.378 7.878 8.240 0.027 0.000 0.444 140 Y N 0.723 121.172 120.300 0.249 0.000 2.337 140 Y HA -0.235 nan 4.550 nan 0.000 0.293 140 Y C 1.327 177.358 175.900 0.218 0.000 1.123 140 Y CA 2.489 60.759 58.100 0.283 0.000 1.201 140 Y CB -0.771 37.941 38.460 0.419 0.000 1.011 140 Y HN -0.149 8.063 8.280 0.024 0.082 0.545 141 A N -0.133 122.812 122.820 0.209 0.000 1.877 141 A HA -0.381 nan 4.320 nan 0.000 0.216 141 A C 2.280 179.951 177.584 0.144 0.000 1.186 141 A CA 3.301 55.420 52.037 0.136 0.000 0.620 141 A CB -1.075 17.936 19.000 0.018 0.000 0.822 141 A HN 0.582 8.732 8.150 0.174 0.104 0.443 142 H N -0.803 118.358 119.070 0.152 0.000 2.321 142 H HA -0.356 nan 4.556 nan 0.000 0.300 142 H C 2.450 177.850 175.328 0.119 0.000 1.087 142 H CA 3.576 59.727 56.048 0.171 0.000 1.319 142 H CB 0.068 29.927 29.762 0.161 0.000 1.379 142 H HN -0.087 8.189 8.280 -0.006 0.000 0.501 143 R N -0.542 120.080 120.500 0.204 0.000 2.105 143 R HA -0.356 nan 4.340 nan 0.000 0.239 143 R C 2.415 178.792 176.300 0.130 0.000 1.135 143 R CA 3.209 59.382 56.100 0.120 0.000 0.967 143 R CB -0.560 29.803 30.300 0.104 0.000 0.861 143 R HN -0.488 7.815 8.270 0.177 0.073 0.442 144 L N -1.290 120.046 121.223 0.188 0.000 1.970 144 L HA -0.317 nan 4.340 nan 0.000 0.212 144 L C 2.101 179.052 176.870 0.135 0.000 1.071 144 L CA 3.340 58.282 54.840 0.170 0.000 0.751 144 L CB -0.857 41.323 42.059 0.202 0.000 0.889 144 L HN -0.061 8.306 8.230 0.229 0.000 0.432 145 V N -4.450 115.571 119.914 0.179 0.000 2.490 145 V HA -0.493 nan 4.120 nan 0.000 0.250 145 V C 2.099 178.247 176.094 0.090 0.000 1.061 145 V CA 3.578 66.003 62.300 0.207 0.000 1.064 145 V CB -1.302 30.728 31.823 0.345 0.000 0.670 145 V HN -0.585 7.733 8.190 0.214 0.000 0.461 146 Q N 0.800 120.542 119.800 -0.096 0.000 2.119 146 Q HA -0.324 nan 4.340 nan 0.000 0.201 146 Q C 2.073 177.930 176.000 -0.238 0.000 0.972 146 Q CA 3.401 58.911 55.803 -0.488 0.000 0.847 146 Q CB -0.088 28.314 28.738 -0.559 0.000 0.903 146 Q HN 0.311 8.573 8.270 0.021 0.020 0.433 147 R N -0.181 120.265 120.500 -0.090 0.000 2.073 147 R HA -0.335 nan 4.340 nan 0.000 0.234 147 R C 2.075 178.346 176.300 -0.048 0.000 1.134 147 R CA 2.931 59.002 56.100 -0.049 0.000 0.952 147 R CB -0.599 29.706 30.300 0.010 0.000 0.850 147 R HN -0.003 8.159 8.270 -0.039 0.085 0.433 148 Q N -1.001 118.790 119.800 -0.015 0.000 2.045 148 Q HA -0.315 nan 4.340 nan 0.000 0.206 148 Q C 2.205 178.182 176.000 -0.039 0.000 0.991 148 Q CA 3.300 59.096 55.803 -0.012 0.000 0.851 148 Q CB -0.181 28.584 28.738 0.045 0.000 0.911 148 Q HN -0.126 8.151 8.270 0.012 0.000 0.418 149 A N -1.447 121.358 122.820 -0.025 0.000 1.877 149 A HA -0.342 nan 4.320 nan 0.000 0.216 149 A C 1.848 179.396 177.584 -0.061 0.000 1.186 149 A CA 3.082 55.108 52.037 -0.020 0.000 0.620 149 A CB -1.125 17.897 19.000 0.037 0.000 0.822 149 A HN -0.280 7.854 8.150 -0.027 0.000 0.443 150 E N -0.945 119.203 120.200 -0.087 0.000 2.021 150 E HA -0.406 nan 4.350 nan 0.000 0.200 150 E C 2.272 178.825 176.600 -0.078 0.000 1.015 150 E CA 3.332 59.684 56.400 -0.081 0.000 0.824 150 E CB 0.152 29.800 29.700 -0.086 0.000 0.762 150 E HN -0.451 7.769 8.360 -0.109 0.075 0.454 151 V N -0.327 119.535 119.914 -0.086 0.000 2.469 151 V HA -0.382 nan 4.120 nan 0.000 0.251 151 V C 2.129 178.136 176.094 -0.145 0.000 1.064 151 V CA 4.006 66.243 62.300 -0.106 0.000 1.066 151 V CB -0.838 30.923 31.823 -0.103 0.000 0.667 151 V HN 0.080 8.223 8.190 -0.080 0.000 0.461 152 R N -0.744 119.670 120.500 -0.143 0.000 2.062 152 R HA -0.284 nan 4.340 nan 0.000 0.231 152 R C 2.600 178.825 176.300 -0.124 0.000 1.136 152 R CA 3.616 59.617 56.100 -0.165 0.000 0.948 152 R CB -0.225 29.993 30.300 -0.136 0.000 0.845 152 R HN -0.132 7.943 8.270 -0.117 0.125 0.430 153 K N -1.246 119.101 120.400 -0.089 0.000 2.217 153 K HA -0.170 nan 4.320 nan 0.000 0.202 153 K C 1.429 177.992 176.600 -0.062 0.000 1.051 153 K CA 2.348 58.596 56.287 -0.066 0.000 0.952 153 K CB -0.123 32.350 32.500 -0.044 0.000 0.736 153 K HN 0.195 8.299 8.250 -0.084 0.096 0.453 154 N N -2.908 115.751 118.700 -0.068 0.000 2.295 154 N HA 0.026 nan 4.740 nan 0.000 0.221 154 N C 0.708 176.182 175.510 -0.060 0.000 1.129 154 N CA -1.306 51.710 53.050 -0.057 0.000 0.836 154 N CB -0.769 37.687 38.487 -0.052 0.000 1.040 154 N HN -0.320 7.979 8.380 -0.079 0.034 0.494 155 G N -0.879 107.877 108.800 -0.073 0.000 2.212 155 G HA2 -0.439 nan 3.960 nan 0.000 0.266 155 G HA3 -0.439 nan 3.960 nan 0.000 0.266 155 G C 0.474 175.331 174.900 -0.072 0.000 0.978 155 G CA 1.545 46.606 45.100 -0.066 0.000 0.632 155 G HN -0.380 7.790 8.290 -0.086 0.069 0.537 156 T N 3.043 117.547 114.554 -0.083 0.000 2.588 156 T HA -0.242 nan 4.350 nan 0.000 0.261 156 T C 0.657 175.283 174.700 -0.123 0.000 1.069 156 T CA 3.470 65.524 62.100 -0.077 0.000 1.172 156 T CB 0.311 69.134 68.868 -0.074 0.000 0.863 156 T HN -0.577 7.747 8.240 -0.085 -0.135 0.408 157 L N -0.312 120.764 121.223 -0.246 0.000 2.843 157 L HA 0.618 nan 4.340 nan 0.000 0.234 157 L C -1.601 174.865 176.870 -0.672 0.000 1.264 157 L CA -2.831 51.702 54.840 -0.512 0.000 1.052 157 L CB 0.320 41.983 42.059 -0.660 0.000 1.372 157 L HN -0.462 7.629 8.230 -0.232 0.000 0.466 158 P HA -0.085 nan 4.420 nan 0.000 0.252 158 P C -0.644 176.552 177.300 -0.174 0.000 1.265 158 P CA 1.009 63.969 63.100 -0.232 0.000 0.775 158 P CB -0.499 31.146 31.700 -0.092 0.000 1.128 159 W N -4.822 116.484 121.300 0.009 0.000 3.290 159 W HA 0.130 nan 4.660 nan 0.000 0.287 159 W C -1.298 175.233 176.519 0.020 0.000 1.288 159 W CA -2.663 54.693 57.345 0.018 0.000 1.725 159 W CB -0.649 28.836 29.460 0.043 0.000 1.103 159 W HN -0.642 6.735 8.180 -1.199 0.084 0.670 160 L N 1.084 122.141 121.223 -0.277 0.000 2.467 160 L HA -0.120 nan 4.340 nan 0.000 0.270 160 L C -0.108 176.709 176.870 -0.089 0.000 1.205 160 L CA 0.265 55.003 54.840 -0.169 0.000 0.828 160 L CB -0.054 41.808 42.059 -0.327 0.000 1.101 160 L HN -0.547 7.273 8.230 -0.580 0.062 0.479 161 R N 1.497 121.944 120.500 -0.089 0.000 2.960 161 R HA 0.374 nan 4.340 nan 0.000 0.249 161 R C -1.454 174.751 176.300 -0.159 0.000 1.192 161 R CA -2.753 53.272 56.100 -0.126 0.000 1.035 161 R CB 0.571 30.805 30.300 -0.110 0.000 1.234 161 R HN 0.110 8.260 8.270 -0.084 0.069 0.493 162 P HA -0.190 nan 4.420 nan 0.000 0.218 162 P C -1.105 176.192 177.300 -0.006 0.000 1.149 162 P CA 1.836 64.808 63.100 -0.214 0.000 0.817 162 P CB 0.364 31.710 31.700 -0.589 0.000 0.785 163 D N -3.303 117.139 120.400 0.070 0.000 2.256 163 D HA 0.286 nan 4.640 nan 0.000 0.250 163 D C -2.086 174.349 176.300 0.224 0.000 1.093 163 D CA -0.070 54.054 54.000 0.207 0.000 0.882 163 D CB 1.490 42.471 40.800 0.301 0.000 1.185 163 D HN -0.316 8.012 8.370 -0.000 0.042 0.437 164 A N 2.555 125.554 122.820 0.298 0.000 2.594 164 A HA 0.498 nan 4.320 nan 0.000 0.296 164 A C -2.540 175.223 177.584 0.299 0.000 1.056 164 A CA 0.054 52.279 52.037 0.313 0.000 0.693 164 A CB 3.337 22.465 19.000 0.213 0.000 1.278 164 A HN -0.224 8.106 8.150 0.301 0.000 0.408 165 K N -0.519 120.045 120.400 0.273 0.000 2.385 165 K HA 0.880 nan 4.320 nan 0.000 0.248 165 K C -1.460 175.251 176.600 0.184 0.000 0.955 165 K CA -2.159 54.255 56.287 0.212 0.000 0.816 165 K CB 4.281 36.882 32.500 0.167 0.000 1.250 165 K HN 0.176 8.601 8.250 0.291 0.000 0.434 166 S N -0.178 115.616 115.700 0.156 0.000 2.634 166 S HA 0.754 nan 4.470 nan 0.000 0.296 166 S C -1.837 172.828 174.600 0.108 0.000 1.104 166 S CA -1.943 56.346 58.200 0.147 0.000 0.920 166 S CB 3.416 66.716 63.200 0.166 0.000 1.111 166 S HN 0.786 9.183 8.310 0.145 0.000 0.493 167 Q N 0.644 120.507 119.800 0.104 0.000 2.331 167 Q HA 0.421 nan 4.340 nan 0.000 0.249 167 Q C -2.461 173.595 176.000 0.092 0.000 0.913 167 Q CA 0.170 56.017 55.803 0.073 0.000 0.874 167 Q CB 3.901 32.655 28.738 0.027 0.000 1.384 167 Q HN -0.016 8.328 8.270 0.124 0.000 0.427 168 V N 6.626 126.615 119.914 0.126 0.000 2.630 168 V HA 0.748 nan 4.120 nan 0.000 0.305 168 V C -2.005 174.182 176.094 0.154 0.000 1.046 168 V CA -1.999 60.388 62.300 0.145 0.000 0.934 168 V CB 2.234 34.223 31.823 0.277 0.000 1.003 168 V HN 0.112 8.380 8.190 0.130 0.000 0.451 169 T N 4.182 118.791 114.554 0.092 0.000 2.879 169 T HA 0.712 nan 4.350 nan 0.000 0.290 169 T C -1.993 172.781 174.700 0.122 0.000 0.993 169 T CA -1.933 60.238 62.100 0.118 0.000 0.975 169 T CB 1.979 70.865 68.868 0.030 0.000 0.981 169 T HN 0.368 8.609 8.240 0.001 0.000 0.439 170 F N 6.295 126.274 119.950 0.049 0.000 2.522 170 F HA 0.714 nan 4.527 nan 0.000 0.324 170 F C -2.337 173.536 175.800 0.121 0.000 1.077 170 F CA -1.354 56.660 58.000 0.024 0.000 0.944 170 F CB 4.709 43.755 39.000 0.078 0.000 1.175 170 F HN 0.979 9.507 8.300 0.381 0.000 0.468 171 Q N 1.841 121.789 119.800 0.246 0.000 2.333 171 Q HA 0.607 nan 4.340 nan 0.000 0.267 171 Q C -1.960 174.193 176.000 0.255 0.000 1.012 171 Q CA -1.973 53.959 55.803 0.215 0.000 0.824 171 Q CB 2.770 31.549 28.738 0.068 0.000 1.290 171 Q HN 0.732 9.054 8.270 0.087 0.000 0.449 172 Y N 5.592 125.933 120.300 0.069 0.000 2.361 172 Y HA 0.447 nan 4.550 nan 0.000 0.337 172 Y C -1.610 174.412 175.900 0.203 0.000 0.965 172 Y CA -1.627 56.535 58.100 0.104 0.000 1.091 172 Y CB 3.196 41.709 38.460 0.088 0.000 1.182 172 Y HN 0.915 9.445 8.280 0.417 0.000 0.450 173 D N 2.242 122.788 120.400 0.243 0.000 2.340 173 D HA 0.088 nan 4.640 nan 0.000 0.251 173 D C -1.319 175.073 176.300 0.153 0.000 1.080 173 D CA -2.044 52.053 54.000 0.162 0.000 0.971 173 D CB 3.124 43.978 40.800 0.089 0.000 1.137 173 D HN -0.099 8.371 8.370 0.166 0.000 0.475 174 D N 0.711 121.157 120.400 0.077 0.000 2.412 174 D HA -0.182 nan 4.640 nan 0.000 0.257 174 D C 0.651 177.017 176.300 0.111 0.000 1.217 174 D CA 1.975 56.017 54.000 0.070 0.000 0.897 174 D CB -0.025 40.764 40.800 -0.017 0.000 1.132 174 D HN 0.228 8.624 8.370 0.043 0.000 0.493 175 G N 3.629 112.545 108.800 0.193 0.000 2.257 175 G HA2 -0.416 nan 3.960 nan 0.000 0.267 175 G HA3 -0.416 nan 3.960 nan 0.000 0.267 175 G C -0.888 174.128 174.900 0.192 0.000 0.984 175 G CA 0.713 45.933 45.100 0.200 0.000 0.626 175 G HN 0.454 8.885 8.290 0.236 0.000 0.540 176 K N 0.422 120.901 120.400 0.132 0.000 2.213 176 K HA 0.414 nan 4.320 nan 0.000 0.270 176 K C -0.740 175.764 176.600 -0.160 0.000 1.002 176 K CA -2.211 54.082 56.287 0.010 0.000 0.868 176 K CB 1.179 33.703 32.500 0.039 0.000 1.093 176 K HN -0.030 8.225 8.250 0.159 0.090 0.454 177 I N 0.374 120.691 120.570 -0.421 0.000 2.664 177 I HA -0.124 nan 4.170 nan 0.000 0.284 177 I C -0.366 175.579 176.117 -0.286 0.000 1.154 177 I CA -0.089 60.788 61.300 -0.705 0.000 1.402 177 I CB -1.167 36.339 38.000 -0.824 0.000 1.395 177 I HN 0.355 8.385 8.210 -0.300 0.000 0.545 178 V N 7.983 127.766 119.914 -0.219 0.000 2.379 178 V HA 0.035 nan 4.120 nan 0.000 0.243 178 V C 0.174 176.192 176.094 -0.127 0.000 1.035 178 V CA 1.751 64.006 62.300 -0.075 0.000 1.035 178 V CB 0.485 32.307 31.823 -0.002 0.000 0.673 178 V HN 0.715 8.669 8.190 -0.232 0.098 0.457 179 G N -4.120 104.489 108.800 -0.319 0.000 2.317 179 G HA2 0.081 nan 3.960 nan 0.000 0.293 179 G HA3 0.081 nan 3.960 nan 0.000 0.293 179 G C -3.195 171.394 174.900 -0.517 0.000 1.287 179 G CA 0.657 45.529 45.100 -0.379 0.000 0.850 179 G HN -0.645 7.468 8.290 -0.295 0.000 0.515 180 I N -0.107 120.174 120.570 -0.482 0.000 2.330 180 I HA 0.279 nan 4.170 nan 0.000 0.286 180 I C -0.948 174.975 176.117 -0.323 0.000 1.025 180 I CA -0.637 60.318 61.300 -0.576 0.000 1.197 180 I CB 0.757 38.374 38.000 -0.638 0.000 1.358 180 I HN 0.421 8.453 8.210 -0.297 0.000 0.467 181 D N 9.623 129.899 120.400 -0.206 0.000 2.075 181 D HA -0.172 nan 4.640 nan 0.000 0.196 181 D C -1.051 175.167 176.300 -0.137 0.000 0.985 181 D CA 3.303 57.231 54.000 -0.119 0.000 0.834 181 D CB 1.150 41.925 40.800 -0.041 0.000 0.987 181 D HN 0.132 8.392 8.370 -0.183 0.000 0.452 182 A N -4.433 118.326 122.820 -0.101 0.000 2.423 182 A HA 0.824 nan 4.320 nan 0.000 0.304 182 A C -2.823 174.707 177.584 -0.089 0.000 1.104 182 A CA -1.477 50.530 52.037 -0.050 0.000 0.757 182 A CB 3.510 22.599 19.000 0.148 0.000 1.313 182 A HN -0.738 7.363 8.150 -0.082 0.000 0.423 183 V N -0.681 119.206 119.914 -0.046 0.000 2.668 183 V HA 0.782 nan 4.120 nan 0.000 0.304 183 V C -2.612 173.615 176.094 0.223 0.000 1.071 183 V CA -1.316 60.987 62.300 0.005 0.000 0.894 183 V CB 3.340 35.064 31.823 -0.166 0.000 1.008 183 V HN 0.422 8.625 8.190 0.021 0.000 0.425 184 V N 7.283 127.323 119.914 0.211 0.000 2.680 184 V HA 0.963 nan 4.120 nan 0.000 0.309 184 V C -2.168 174.049 176.094 0.206 0.000 1.052 184 V CA -2.066 60.380 62.300 0.243 0.000 0.908 184 V CB 2.560 34.453 31.823 0.117 0.000 1.001 184 V HN 0.527 8.807 8.190 0.151 0.000 0.431 185 L N 5.585 126.938 121.223 0.218 0.000 2.543 185 L HA 0.684 nan 4.340 nan 0.000 0.265 185 L C -2.635 174.364 176.870 0.216 0.000 0.945 185 L CA -0.319 54.643 54.840 0.204 0.000 0.869 185 L CB 3.757 45.937 42.059 0.203 0.000 1.294 185 L HN 0.773 9.147 8.230 0.240 0.000 0.405 186 S N 6.296 122.143 115.700 0.244 0.000 2.614 186 S HA 0.545 nan 4.470 nan 0.000 0.288 186 S C -2.193 172.657 174.600 0.416 0.000 1.137 186 S CA -0.630 57.767 58.200 0.329 0.000 0.992 186 S CB 3.436 66.819 63.200 0.305 0.000 1.026 186 S HN 0.500 8.953 8.310 0.239 0.000 0.486 187 T N 5.707 120.458 114.554 0.327 0.000 2.861 187 T HA 0.527 nan 4.350 nan 0.000 0.287 187 T C -1.965 172.556 174.700 -0.299 0.000 1.003 187 T CA -0.406 61.753 62.100 0.099 0.000 0.977 187 T CB 2.819 71.751 68.868 0.106 0.000 0.996 187 T HN 0.534 9.293 8.240 0.320 -0.328 0.448 188 Q N 5.768 125.101 119.800 -0.779 0.000 2.392 188 Q HA 0.143 nan 4.340 nan 0.000 0.262 188 Q C -0.973 174.878 176.000 -0.247 0.000 1.003 188 Q CA 0.800 55.964 55.803 -1.065 0.000 0.888 188 Q CB 1.377 29.672 28.738 -0.738 0.000 1.260 188 Q HN 0.473 8.471 8.270 -0.453 0.000 0.435 189 H N 0.308 119.254 119.070 -0.206 0.000 2.981 189 H HA 0.586 nan 4.556 nan 0.000 0.327 189 H C -1.906 173.462 175.328 0.066 0.000 1.342 189 H CA -1.926 54.150 56.048 0.047 0.000 1.123 189 H CB 3.319 33.218 29.762 0.228 0.000 1.851 189 H HN 0.083 8.093 8.280 -0.451 0.000 0.531 190 S N -0.178 115.483 115.700 -0.065 0.000 2.608 190 S HA -0.012 nan 4.470 nan 0.000 0.261 190 S C 1.228 175.742 174.600 -0.142 0.000 1.314 190 S CA -1.100 57.057 58.200 -0.071 0.000 0.992 190 S CB 1.912 65.164 63.200 0.086 0.000 0.935 190 S HN 0.188 8.643 8.310 0.240 0.000 0.564 191 E N 0.666 120.826 120.200 -0.066 0.000 2.118 191 E HA -0.247 nan 4.350 nan 0.000 0.195 191 E C 0.820 177.427 176.600 0.012 0.000 0.992 191 E CA 3.063 59.447 56.400 -0.027 0.000 0.804 191 E CB -0.091 29.606 29.700 -0.006 0.000 0.741 191 E HN 0.682 9.015 8.360 -0.045 0.000 0.458 192 E N -1.346 118.868 120.200 0.024 0.000 2.354 192 E HA 0.138 nan 4.350 nan 0.000 0.252 192 E C -1.074 175.499 176.600 -0.044 0.000 1.330 192 E CA -0.851 55.552 56.400 0.006 0.000 1.658 192 E CB -1.313 28.397 29.700 0.017 0.000 1.460 192 E HN -0.517 7.838 8.360 0.043 0.031 0.435 193 I N 0.771 121.306 120.570 -0.057 0.000 2.722 193 I HA 0.191 nan 4.170 nan 0.000 0.292 193 I C -2.464 173.568 176.117 -0.141 0.000 1.267 193 I CA -0.671 60.489 61.300 -0.233 0.000 1.036 193 I CB 3.739 41.407 38.000 -0.554 0.000 1.281 193 I HN -0.466 7.662 8.210 0.017 0.091 0.423 194 D N 5.358 125.645 120.400 -0.189 0.000 2.449 194 D HA 0.301 nan 4.640 nan 0.000 0.250 194 D C 0.059 176.249 176.300 -0.183 0.000 1.050 194 D CA -1.588 52.337 54.000 -0.125 0.000 1.024 194 D CB 3.366 44.129 40.800 -0.062 0.000 1.218 194 D HN -0.089 8.141 8.370 -0.233 0.000 0.566 195 Q N 0.781 120.504 119.800 -0.129 0.000 2.230 195 Q HA -0.138 nan 4.340 nan 0.000 0.202 195 Q C 1.561 177.492 176.000 -0.116 0.000 0.963 195 Q CA 3.187 58.905 55.803 -0.141 0.000 0.866 195 Q CB 0.005 28.697 28.738 -0.076 0.000 0.931 195 Q HN 0.493 8.716 8.270 -0.079 0.000 0.452 196 K N -0.700 119.643 120.400 -0.095 0.000 2.103 196 K HA -0.213 nan 4.320 nan 0.000 0.204 196 K C 1.874 178.416 176.600 -0.097 0.000 1.052 196 K CA 2.881 59.121 56.287 -0.078 0.000 0.945 196 K CB -0.433 32.031 32.500 -0.060 0.000 0.722 196 K HN 0.299 8.477 8.250 -0.089 0.019 0.443 197 S N 0.344 115.959 115.700 -0.142 0.000 2.383 197 S HA -0.254 nan 4.470 nan 0.000 0.227 197 S C 2.009 176.484 174.600 -0.208 0.000 1.026 197 S CA 2.815 60.912 58.200 -0.171 0.000 0.981 197 S CB -0.158 62.910 63.200 -0.221 0.000 0.818 197 S HN -0.588 7.628 8.310 -0.155 0.000 0.472 198 L N 2.661 123.706 121.223 -0.296 0.000 2.012 198 L HA -0.431 nan 4.340 nan 0.000 0.210 198 L C 1.154 178.038 176.870 0.023 0.000 1.073 198 L CA 3.413 58.128 54.840 -0.208 0.000 0.748 198 L CB -0.138 41.770 42.059 -0.252 0.000 0.891 198 L HN -0.028 8.011 8.230 -0.319 0.000 0.431 199 Q N -2.341 117.443 119.800 -0.026 0.000 2.077 199 Q HA -0.410 nan 4.340 nan 0.000 0.206 199 Q C 1.907 177.904 176.000 -0.004 0.000 0.989 199 Q CA 3.340 59.142 55.803 -0.002 0.000 0.853 199 Q CB -0.185 28.537 28.738 -0.027 0.000 0.907 199 Q HN 0.234 8.351 8.270 -0.074 0.109 0.418 200 E N -3.709 116.481 120.200 -0.017 0.000 2.150 200 E HA -0.214 nan 4.350 nan 0.000 0.193 200 E C 1.581 178.204 176.600 0.040 0.000 0.985 200 E CA 2.046 58.439 56.400 -0.011 0.000 0.814 200 E CB -0.047 29.638 29.700 -0.026 0.000 0.752 200 E HN -0.747 7.594 8.360 -0.033 0.000 0.466 201 A N 0.564 123.451 122.820 0.112 0.000 1.883 201 A HA -0.241 nan 4.320 nan 0.000 0.217 201 A C 1.122 178.796 177.584 0.150 0.000 1.186 201 A CA 2.673 54.828 52.037 0.198 0.000 0.624 201 A CB -0.194 19.090 19.000 0.472 0.000 0.822 201 A HN -0.563 7.646 8.150 0.099 0.000 0.444 205 E N 0.691 120.908 120.200 0.027 0.000 2.442 205 E HA 0.080 nan 4.350 nan 0.000 0.195 205 E C 0.185 176.796 176.600 0.019 0.000 1.030 205 E CA 1.166 57.577 56.400 0.018 0.000 0.869 205 E CB 0.968 30.676 29.700 0.014 0.000 0.857 205 E HN -0.124 8.259 8.360 0.040 0.000 0.505 206 I N -1.292 119.301 120.570 0.038 0.000 3.632 206 I HA -0.083 nan 4.170 nan 0.000 0.246 206 I C 1.321 177.488 176.117 0.084 0.000 1.125 206 I CA 2.386 63.717 61.300 0.052 0.000 1.519 206 I CB 1.282 39.317 38.000 0.058 0.000 1.555 206 I HN -0.492 7.744 8.210 0.044 0.000 0.452 207 I N -0.813 119.820 120.570 0.106 0.000 2.142 207 I HA -0.532 nan 4.170 nan 0.000 0.240 207 I C 2.291 178.483 176.117 0.126 0.000 1.078 207 I CA 4.768 66.160 61.300 0.154 0.000 1.343 207 I CB -0.093 38.031 38.000 0.206 0.000 1.046 207 I HN 0.158 8.424 8.210 0.093 0.000 0.405 208 K N 0.220 120.664 120.400 0.074 0.000 2.103 208 K HA -0.184 nan 4.320 nan 0.000 0.207 208 K C -1.124 175.503 176.600 0.045 0.000 1.048 208 K CA 3.747 60.064 56.287 0.050 0.000 0.930 208 K CB -1.578 30.928 32.500 0.010 0.000 0.716 208 K HN 0.317 8.596 8.250 0.049 0.000 0.444 209 P HA -0.073 nan 4.420 nan 0.000 0.249 209 P C -0.723 176.613 177.300 0.061 0.000 1.229 209 P CA 0.649 63.771 63.100 0.037 0.000 0.788 209 P CB 0.365 32.082 31.700 0.028 0.000 1.072 210 I N -4.271 116.356 120.570 0.096 0.000 3.194 210 I HA 0.072 nan 4.170 nan 0.000 0.271 210 I C -0.089 176.114 176.117 0.144 0.000 1.150 210 I CA 0.196 61.590 61.300 0.156 0.000 1.440 210 I CB 1.336 39.459 38.000 0.204 0.000 1.276 210 I HN -0.312 7.790 8.210 0.098 0.168 0.457 211 L N 0.360 121.636 121.223 0.090 0.000 2.367 211 L HA 0.118 nan 4.340 nan 0.000 0.275 211 L C -1.875 174.942 176.870 -0.089 0.000 1.129 211 L CA -1.663 53.161 54.840 -0.027 0.000 0.839 211 L CB -0.405 41.673 42.059 0.032 0.000 1.133 211 L HN -0.797 7.499 8.230 0.110 0.000 0.453 212 P HA 0.118 nan 4.420 nan 0.000 0.276 212 P C -1.037 176.138 177.300 -0.210 0.000 1.235 212 P CA -0.480 62.421 63.100 -0.332 0.000 0.772 212 P CB 1.464 32.683 31.700 -0.803 0.000 0.871 213 A N 5.723 128.451 122.820 -0.154 0.000 1.898 213 A HA -0.233 nan 4.320 nan 0.000 0.216 213 A C 2.265 179.819 177.584 -0.050 0.000 1.181 213 A CA 2.809 54.806 52.037 -0.066 0.000 0.620 213 A CB -0.529 18.439 19.000 -0.053 0.000 0.819 213 A HN 0.397 8.440 8.150 -0.179 0.000 0.442 214 E N -0.544 119.592 120.200 -0.106 0.000 2.204 214 E HA -0.233 nan 4.350 nan 0.000 0.195 214 E C 0.659 177.303 176.600 0.073 0.000 0.990 214 E CA 2.106 58.480 56.400 -0.044 0.000 0.821 214 E CB -1.814 27.843 29.700 -0.072 0.000 0.750 214 E HN 0.504 8.757 8.360 -0.178 0.000 0.477 215 W N -3.458 117.782 121.300 -0.100 0.000 2.425 215 W HA -0.064 nan 4.660 nan 0.000 0.277 215 W C -0.777 175.634 176.519 -0.180 0.000 1.231 215 W CA -0.948 56.301 57.345 -0.159 0.000 1.248 215 W CB -0.301 29.010 29.460 -0.248 0.000 1.117 215 W HN -0.593 7.480 8.180 -0.177 0.000 0.568 216 L N -2.254 119.022 121.223 0.088 0.000 2.292 216 L HA 0.168 nan 4.340 nan 0.000 0.284 216 L C -0.587 176.315 176.870 0.052 0.000 1.065 216 L CA -0.343 54.517 54.840 0.035 0.000 0.806 216 L CB 1.110 43.220 42.059 0.086 0.000 1.175 216 L HN -0.568 7.505 8.230 0.077 0.204 0.431 217 T N 0.001 114.582 114.554 0.045 0.000 2.669 217 T HA 0.373 nan 4.350 nan 0.000 0.283 217 T C 1.380 176.124 174.700 0.073 0.000 1.019 217 T CA -1.183 60.947 62.100 0.049 0.000 1.039 217 T CB 2.401 71.282 68.868 0.021 0.000 1.374 217 T HN 0.345 8.595 8.240 0.017 0.000 0.523 218 S N 2.163 117.891 115.700 0.046 0.000 2.383 218 S HA -0.206 nan 4.470 nan 0.000 0.229 218 S C 0.568 175.190 174.600 0.038 0.000 1.030 218 S CA 2.687 60.911 58.200 0.040 0.000 1.002 218 S CB -0.308 62.906 63.200 0.022 0.000 0.829 218 S HN 0.464 8.795 8.310 0.035 0.000 0.467 219 A N -0.915 121.918 122.820 0.022 0.000 2.251 219 A HA 0.140 nan 4.320 nan 0.000 0.209 219 A C -0.730 176.843 177.584 -0.017 0.000 1.187 219 A CA 0.044 52.084 52.037 0.004 0.000 0.823 219 A CB 0.579 19.577 19.000 -0.003 0.000 0.846 219 A HN -0.402 7.726 8.150 0.019 0.033 0.486 220 T N 2.624 117.166 114.554 -0.021 0.000 2.799 220 T HA -0.136 nan 4.350 nan 0.000 0.296 220 T C -0.352 174.294 174.700 -0.089 0.000 0.947 220 T CA 1.151 63.163 62.100 -0.147 0.000 1.141 220 T CB -0.418 68.284 68.868 -0.276 0.000 0.891 220 T HN -0.683 7.407 8.240 0.035 0.170 0.533 221 K N 7.865 128.181 120.400 -0.141 0.000 2.292 221 K HA 0.178 nan 4.320 nan 0.000 0.290 221 K C -1.084 175.357 176.600 -0.265 0.000 1.083 221 K CA -0.673 55.501 56.287 -0.190 0.000 0.918 221 K CB 0.565 32.982 32.500 -0.138 0.000 1.089 221 K HN 0.487 8.657 8.250 -0.134 0.000 0.473 222 F N 2.978 122.717 119.950 -0.352 0.000 2.399 222 F HA 0.447 nan 4.527 nan 0.000 0.334 222 F C 0.095 175.644 175.800 -0.419 0.000 1.097 222 F CA -0.663 57.207 58.000 -0.217 0.000 1.076 222 F CB 2.052 40.990 39.000 -0.103 0.000 1.162 222 F HN -0.011 8.350 8.300 0.102 0.000 0.495 223 F N 3.092 123.164 119.950 0.203 0.000 2.810 223 F HA 0.255 nan 4.527 nan 0.000 0.373 223 F C -1.755 174.122 175.800 0.129 0.000 1.174 223 F CA -0.951 57.124 58.000 0.125 0.000 1.141 223 F CB 2.033 41.082 39.000 0.081 0.000 1.420 223 F HN 0.782 9.318 8.300 0.393 0.000 0.518 224 I N 1.882 122.593 120.570 0.235 0.000 2.440 224 I HA 0.038 nan 4.170 nan 0.000 0.294 224 I C -0.008 176.213 176.117 0.174 0.000 0.995 224 I CA -0.605 60.810 61.300 0.191 0.000 1.306 224 I CB 0.955 39.032 38.000 0.128 0.000 1.407 224 I HN 0.063 8.375 8.210 0.170 0.000 0.501 225 N N 6.061 124.869 118.700 0.180 0.000 2.759 225 N HA -0.250 nan 4.740 nan 0.000 0.277 225 N C -1.239 174.359 175.510 0.146 0.000 0.982 225 N CA 1.028 54.184 53.050 0.176 0.000 0.833 225 N CB -1.522 37.053 38.487 0.148 0.000 0.927 225 N HN 0.091 8.588 8.380 0.196 0.000 0.573 226 P HA -0.107 nan 4.420 nan 0.000 0.218 226 P C -0.053 177.305 177.300 0.096 0.000 1.148 226 P CA 1.692 64.883 63.100 0.152 0.000 0.822 226 P CB -0.362 31.429 31.700 0.152 0.000 0.784 227 T N -9.388 105.209 114.554 0.072 0.000 3.169 227 T HA 0.139 nan 4.350 nan 0.000 0.250 227 T C 1.165 175.910 174.700 0.075 0.000 1.111 227 T CA -0.758 61.373 62.100 0.053 0.000 1.010 227 T CB -0.374 68.504 68.868 0.017 0.000 0.984 227 T HN -0.142 8.127 8.240 0.072 0.014 0.537 228 G N 3.652 112.508 108.800 0.092 0.000 2.620 228 G HA2 -0.542 nan 3.960 nan 0.000 0.315 228 G HA3 -0.542 nan 3.960 nan 0.000 0.315 228 G C -0.479 174.528 174.900 0.178 0.000 1.179 228 G CA 1.157 46.318 45.100 0.101 0.000 0.971 228 G HN 0.030 8.190 8.290 0.093 0.186 0.544 229 R N 2.654 123.268 120.500 0.191 0.000 2.078 229 R HA -0.185 nan 4.340 nan 0.000 0.224 229 R C -0.705 175.884 176.300 0.481 0.000 1.149 229 R CA 1.514 57.785 56.100 0.284 0.000 0.916 229 R CB 0.608 31.033 30.300 0.209 0.000 0.821 229 R HN -0.187 8.169 8.270 0.144 0.000 0.434 230 F N -6.502 113.552 119.950 0.174 0.000 2.535 230 F HA -0.172 nan 4.527 nan 0.000 0.386 230 F C -1.400 174.466 175.800 0.109 0.000 1.115 230 F CA 0.027 58.124 58.000 0.162 0.000 1.261 230 F CB -1.616 37.495 39.000 0.186 0.000 1.785 230 F HN -0.209 8.286 8.300 0.326 0.000 0.793 231 V N 3.932 123.934 119.914 0.147 0.000 3.263 231 V HA 0.076 nan 4.120 nan 0.000 0.248 231 V C -0.227 175.852 176.094 -0.025 0.000 1.145 231 V CA 1.632 63.873 62.300 -0.099 0.000 1.107 231 V CB 1.126 32.900 31.823 -0.083 0.000 0.797 231 V HN -0.318 8.012 8.190 0.234 0.000 0.467 232 I N -2.271 118.366 120.570 0.112 0.000 2.466 232 I HA 0.494 nan 4.170 nan 0.000 0.289 232 I C -1.496 174.754 176.117 0.222 0.000 1.026 232 I CA -0.772 60.602 61.300 0.124 0.000 1.078 232 I CB 2.509 40.563 38.000 0.089 0.000 1.249 232 I HN -0.521 7.820 8.210 0.218 0.000 0.429 233 G N 5.787 114.712 108.800 0.208 0.000 3.100 233 G HA2 0.471 nan 3.960 nan 0.000 0.174 233 G HA3 0.471 nan 3.960 nan 0.000 0.174 233 G C -1.292 173.651 174.900 0.072 0.000 1.136 233 G CA -0.823 44.428 45.100 0.251 0.000 0.881 233 G HN -0.284 8.201 8.290 0.185 -0.084 0.616 234 G N 0.573 109.402 108.800 0.049 0.000 2.581 234 G HA2 -0.227 nan 3.960 nan 0.000 0.291 234 G HA3 -0.227 nan 3.960 nan 0.000 0.291 234 G C -1.750 172.947 174.900 -0.340 0.000 1.277 234 G CA -0.170 44.756 45.100 -0.291 0.000 0.959 234 G HN -0.350 8.391 8.290 0.181 -0.343 0.554 238 D N -0.246 120.107 120.400 -0.078 0.000 2.989 238 D HA 0.289 nan 4.640 nan 0.000 0.284 238 D C -2.581 173.640 176.300 -0.132 0.000 1.212 238 D CA -0.923 53.014 54.000 -0.105 0.000 1.055 238 D CB 2.609 43.327 40.800 -0.136 0.000 1.351 238 D HN -0.690 7.630 8.370 -0.084 0.000 0.611 239 C N -0.661 118.538 119.300 -0.167 0.000 2.947 239 C HA 0.199 nan 4.460 nan 0.000 0.401 239 C C -1.313 173.530 174.990 -0.245 0.000 1.019 239 C CA -0.269 58.604 59.018 -0.242 0.000 1.230 239 C CB 2.567 30.170 27.740 -0.228 0.000 1.644 239 C HN 0.014 8.153 8.230 -0.151 0.000 0.523 240 G N 5.317 113.943 108.800 -0.290 0.000 2.415 240 G HA2 0.640 nan 3.960 nan 0.000 0.327 240 G HA3 0.640 nan 3.960 nan 0.000 0.327 240 G C -2.699 172.053 174.900 -0.248 0.000 1.182 240 G CA -1.133 43.853 45.100 -0.190 0.000 0.924 240 G HN 0.842 8.806 8.290 -0.357 0.111 0.470 241 L N -2.830 118.297 121.223 -0.159 0.000 2.424 241 L HA 0.908 nan 4.340 nan 0.000 0.258 241 L C -0.645 176.195 176.870 -0.049 0.000 0.995 241 L CA -2.042 52.735 54.840 -0.105 0.000 0.821 241 L CB 3.334 45.341 42.059 -0.087 0.000 1.383 241 L HN -0.459 7.854 8.230 -0.114 -0.151 0.410 242 T N -1.304 113.240 114.554 -0.016 0.000 2.932 242 T HA -0.176 nan 4.350 nan 0.000 0.312 242 T C 1.333 176.007 174.700 -0.044 0.000 1.071 242 T CA 1.046 63.133 62.100 -0.021 0.000 1.128 242 T CB 0.132 68.999 68.868 -0.002 0.000 0.984 242 T HN 0.000 8.246 8.240 0.010 0.000 0.549 243 G N 6.899 115.657 108.800 -0.069 0.000 2.159 243 G HA2 -0.308 nan 3.960 nan 0.000 0.256 243 G HA3 -0.308 nan 3.960 nan 0.000 0.256 243 G C 0.755 175.581 174.900 -0.123 0.000 0.977 243 G CA 0.809 45.844 45.100 -0.108 0.000 0.652 243 G HN 0.211 8.746 8.290 -0.061 -0.281 0.531 244 R N -0.996 119.438 120.500 -0.111 0.000 2.210 244 R HA 0.035 nan 4.340 nan 0.000 0.203 244 R C 0.810 177.017 176.300 -0.156 0.000 1.010 244 R CA 0.598 56.624 56.100 -0.122 0.000 1.008 244 R CB 0.217 30.458 30.300 -0.098 0.000 0.923 244 R HN -0.559 7.602 8.270 -0.094 0.053 0.469 245 K N 0.834 121.135 120.400 -0.166 0.000 2.969 245 K HA 0.243 nan 4.320 nan 0.000 0.222 245 K C -0.520 175.965 176.600 -0.192 0.000 1.172 245 K CA -1.794 54.386 56.287 -0.178 0.000 1.192 245 K CB -1.651 30.740 32.500 -0.182 0.000 1.111 245 K HN -0.154 8.008 8.250 -0.146 0.000 0.457 246 I N 1.509 121.922 120.570 -0.262 0.000 2.145 246 I HA -0.512 nan 4.170 nan 0.000 0.244 246 I C 1.174 177.062 176.117 -0.382 0.000 1.075 246 I CA 3.689 64.751 61.300 -0.397 0.000 1.332 246 I CB -0.087 37.616 38.000 -0.494 0.000 1.033 246 I HN -0.720 7.241 8.210 -0.243 0.104 0.410 247 I N -3.167 117.218 120.570 -0.308 0.000 2.142 247 I HA -0.381 nan 4.170 nan 0.000 0.240 247 I C 2.040 178.119 176.117 -0.064 0.000 1.078 247 I CA 2.808 64.003 61.300 -0.174 0.000 1.343 247 I CB -1.489 36.426 38.000 -0.142 0.000 1.046 247 I HN -0.061 7.972 8.210 -0.295 0.000 0.405 248 V N -1.222 118.656 119.914 -0.059 0.000 2.287 248 V HA -0.440 nan 4.120 nan 0.000 0.248 248 V C 1.769 177.941 176.094 0.131 0.000 1.053 248 V CA 3.410 65.728 62.300 0.029 0.000 1.027 248 V CB -0.354 31.490 31.823 0.036 0.000 0.646 248 V HN -0.525 7.604 8.190 -0.102 0.000 0.447 249 D N -1.639 118.782 120.400 0.035 0.000 2.154 249 D HA -0.324 nan 4.640 nan 0.000 0.190 249 D C 1.967 178.226 176.300 -0.068 0.000 1.003 249 D CA 3.196 57.218 54.000 0.035 0.000 0.849 249 D CB -0.064 40.647 40.800 -0.150 0.000 0.942 249 D HN 0.381 8.729 8.370 -0.036 0.000 0.446 250 T N -1.709 112.781 114.554 -0.107 0.000 3.053 250 T HA 0.031 nan 4.350 nan 0.000 0.223 250 T C 1.306 175.888 174.700 -0.196 0.000 1.015 250 T CA 2.321 64.303 62.100 -0.197 0.000 1.655 250 T CB 0.500 69.415 68.868 0.079 0.000 1.279 250 T HN -0.415 7.777 8.240 -0.080 0.000 0.431 251 Y N -0.743 119.713 120.300 0.260 0.000 2.738 251 Y HA 0.166 nan 4.550 nan 0.000 0.249 251 Y C 0.360 176.309 175.900 0.082 0.000 1.153 251 Y CA -1.539 56.675 58.100 0.190 0.000 1.165 251 Y CB 1.186 39.710 38.460 0.106 0.000 1.235 251 Y HN -0.553 7.843 8.280 0.194 0.000 0.559 252 G N 0.114 109.011 108.800 0.161 0.000 2.296 252 G HA2 -0.450 nan 3.960 nan 0.000 0.282 252 G HA3 -0.450 nan 3.960 nan 0.000 0.282 252 G C -0.663 174.341 174.900 0.174 0.000 1.014 252 G CA 0.913 46.082 45.100 0.114 0.000 0.812 252 G HN -0.474 7.891 8.290 0.124 0.000 0.508 256 R N -0.363 119.905 120.500 -0.386 0.000 2.840 256 R HA -0.098 nan 4.340 nan 0.000 0.282 256 R C -0.944 175.127 176.300 -0.383 0.000 1.133 256 R CA 0.194 55.950 56.100 -0.573 0.000 1.208 256 R CB 1.019 30.592 30.300 -1.211 0.000 1.160 256 R HN 0.153 8.456 8.270 -0.419 -0.285 0.576 257 H N -3.097 115.743 119.070 -0.384 0.000 3.026 257 H HA 0.142 nan 4.556 nan 0.000 0.352 257 H C -0.774 174.643 175.328 0.147 0.000 1.090 257 H CA -0.344 55.706 56.048 0.004 0.000 1.268 257 H CB 2.019 31.779 29.762 -0.002 0.000 1.816 257 H HN 0.045 8.153 8.280 -0.287 0.000 0.518 258 G N 3.543 112.540 108.800 0.328 0.000 2.504 258 G HA2 -0.009 nan 3.960 nan 0.000 0.288 258 G HA3 -0.009 nan 3.960 nan 0.000 0.288 258 G C 0.557 175.602 174.900 0.243 0.000 1.182 258 G CA -1.044 44.227 45.100 0.285 0.000 0.894 258 G HN 0.286 8.709 8.290 0.222 0.000 0.521 259 G N -0.658 108.244 108.800 0.171 0.000 2.581 259 G HA2 -0.263 nan 3.960 nan 0.000 0.223 259 G HA3 -0.263 nan 3.960 nan 0.000 0.223 259 G C -0.223 174.761 174.900 0.141 0.000 1.094 259 G CA 0.736 45.920 45.100 0.140 0.000 0.736 259 G HN 0.172 8.540 8.290 0.130 0.000 0.588 260 G N 0.213 109.088 108.800 0.126 0.000 2.389 260 G HA2 0.078 nan 3.960 nan 0.000 0.328 260 G HA3 0.078 nan 3.960 nan 0.000 0.328 260 G C -1.997 172.829 174.900 -0.123 0.000 1.133 260 G CA -1.221 43.887 45.100 0.013 0.000 0.891 260 G HN -0.519 7.789 8.290 0.115 0.051 0.485 261 A N 2.414 125.145 122.820 -0.148 0.000 2.264 261 A HA 0.606 nan 4.320 nan 0.000 0.304 261 A C -0.192 177.310 177.584 -0.137 0.000 1.100 261 A CA -0.553 51.318 52.037 -0.276 0.000 0.839 261 A CB 1.588 20.501 19.000 -0.145 0.000 1.121 261 A HN 0.020 8.121 8.150 -0.081 0.000 0.496 262 F N -1.021 118.825 119.950 -0.173 0.000 2.480 262 F HA 0.144 nan 4.527 nan 0.000 0.280 262 F C 0.258 175.966 175.800 -0.153 0.000 1.002 262 F CA 0.009 57.868 58.000 -0.235 0.000 1.325 262 F CB 0.649 39.454 39.000 -0.325 0.000 1.134 262 F HN 0.523 8.653 8.300 -0.284 0.000 0.646 263 S N -1.386 114.399 115.700 0.141 0.000 2.568 263 S HA -0.228 nan 4.470 nan 0.000 0.282 263 S C 0.899 175.512 174.600 0.021 0.000 1.338 263 S CA 1.778 60.035 58.200 0.095 0.000 1.045 263 S CB 0.206 63.474 63.200 0.113 0.000 0.873 263 S HN -0.477 7.909 8.310 0.127 0.000 0.516 264 G N 2.669 111.472 108.800 0.004 0.000 2.184 264 G HA2 -0.525 nan 3.960 nan 0.000 0.264 264 G HA3 -0.525 nan 3.960 nan 0.000 0.264 264 G C -1.188 173.670 174.900 -0.071 0.000 0.975 264 G CA 0.482 45.569 45.100 -0.022 0.000 0.642 264 G HN 0.786 9.450 8.290 0.025 -0.359 0.536 265 K N 1.164 121.492 120.400 -0.119 0.000 2.394 265 K HA 0.390 nan 4.320 nan 0.000 0.260 265 K C -1.451 174.971 176.600 -0.297 0.000 0.967 265 K CA -2.203 53.980 56.287 -0.173 0.000 0.855 265 K CB 1.645 34.051 32.500 -0.155 0.000 1.101 265 K HN -0.665 7.466 8.250 -0.113 0.051 0.433 266 D N 5.845 126.092 120.400 -0.255 0.000 2.419 266 D HA -0.016 nan 4.640 nan 0.000 0.236 266 D C -0.401 175.695 176.300 -0.341 0.000 1.165 266 D CA -0.941 52.881 54.000 -0.297 0.000 0.882 266 D CB 0.306 40.998 40.800 -0.179 0.000 1.201 266 D HN -0.155 8.105 8.370 -0.183 0.000 0.443 267 P HA -0.128 nan 4.420 nan 0.000 0.225 267 P C 0.541 177.642 177.300 -0.331 0.000 1.148 267 P CA 1.991 64.885 63.100 -0.344 0.000 0.779 267 P CB -0.127 31.445 31.700 -0.214 0.000 0.780 268 S N -2.261 113.256 115.700 -0.306 0.000 2.469 268 S HA -0.296 nan 4.470 nan 0.000 0.238 268 S C 0.329 174.749 174.600 -0.299 0.000 0.998 268 S CA 2.214 60.201 58.200 -0.354 0.000 0.957 268 S CB -0.018 63.056 63.200 -0.211 0.000 0.764 268 S HN -0.248 8.196 8.310 -0.250 -0.283 0.514 269 K N 2.777 123.017 120.400 -0.267 0.000 2.338 269 K HA 0.112 nan 4.320 nan 0.000 0.290 269 K C 0.841 177.276 176.600 -0.276 0.000 1.069 269 K CA -0.982 55.167 56.287 -0.230 0.000 0.941 269 K CB -0.789 31.591 32.500 -0.200 0.000 1.023 269 K HN -0.435 7.590 8.250 -0.277 0.059 0.477 270 V N 0.448 120.195 119.914 -0.278 0.000 2.490 270 V HA -0.364 nan 4.120 nan 0.000 0.250 270 V C 1.179 177.132 176.094 -0.235 0.000 1.061 270 V CA 3.220 65.315 62.300 -0.342 0.000 1.064 270 V CB -0.673 30.813 31.823 -0.562 0.000 0.670 270 V HN 0.430 8.471 8.190 -0.248 0.000 0.461 271 D N 0.175 120.488 120.400 -0.145 0.000 2.170 271 D HA -0.409 nan 4.640 nan 0.000 0.193 271 D C 1.569 177.856 176.300 -0.022 0.000 1.004 271 D CA 3.737 57.712 54.000 -0.041 0.000 0.860 271 D CB -0.451 40.340 40.800 -0.016 0.000 0.931 271 D HN 0.187 8.467 8.370 -0.145 0.003 0.448 272 R N -1.386 118.978 120.500 -0.227 0.000 2.052 272 R HA -0.063 nan 4.340 nan 0.000 0.224 272 R C 1.850 177.594 176.300 -0.928 0.000 1.149 272 R CA 2.359 58.048 56.100 -0.685 0.000 0.962 272 R CB 1.028 30.916 30.300 -0.687 0.000 0.856 272 R HN -0.523 7.501 8.270 -0.242 0.101 0.433 273 S N 0.082 115.417 115.700 -0.608 0.000 2.406 273 S HA -0.134 nan 4.470 nan 0.000 0.228 273 S C 2.141 176.597 174.600 -0.239 0.000 1.020 273 S CA 3.052 60.980 58.200 -0.453 0.000 0.965 273 S CB 0.080 63.086 63.200 -0.323 0.000 0.798 273 S HN -0.110 7.916 8.310 -0.475 0.000 0.488 274 A N 2.021 124.724 122.820 -0.195 0.000 1.908 274 A HA -0.302 nan 4.320 nan 0.000 0.218 274 A C 1.587 179.187 177.584 0.026 0.000 1.181 274 A CA 2.899 54.923 52.037 -0.021 0.000 0.627 274 A CB -1.069 17.975 19.000 0.073 0.000 0.818 274 A HN 0.038 7.928 8.150 -0.265 0.100 0.445 275 A N -1.125 121.679 122.820 -0.028 0.000 1.858 275 A HA -0.267 nan 4.320 nan 0.000 0.216 275 A C 1.943 179.621 177.584 0.157 0.000 1.190 275 A CA 2.975 55.073 52.037 0.101 0.000 0.617 275 A CB -0.795 18.291 19.000 0.144 0.000 0.827 275 A HN -0.493 7.571 8.150 -0.128 0.009 0.443 276 Y N -1.570 118.561 120.300 -0.282 0.000 2.128 276 Y HA -0.431 nan 4.550 nan 0.000 0.284 276 Y C 2.367 178.206 175.900 -0.103 0.000 1.154 276 Y CA 0.664 58.536 58.100 -0.379 0.000 1.149 276 Y CB -1.363 36.686 38.460 -0.685 0.000 0.976 276 Y HN -0.127 7.984 8.280 -0.282 0.000 0.505 277 A N -1.604 121.292 122.820 0.126 0.000 1.940 277 A HA -0.436 nan 4.320 nan 0.000 0.219 277 A C 1.867 179.525 177.584 0.124 0.000 1.176 277 A CA 3.054 55.180 52.037 0.147 0.000 0.631 277 A CB -1.145 17.929 19.000 0.123 0.000 0.814 277 A HN 0.500 8.591 8.150 0.081 0.108 0.446 278 A N -1.603 121.261 122.820 0.073 0.000 1.930 278 A HA -0.264 nan 4.320 nan 0.000 0.217 278 A C 1.718 179.299 177.584 -0.006 0.000 1.175 278 A CA 2.840 54.891 52.037 0.023 0.000 0.627 278 A CB -0.755 18.277 19.000 0.054 0.000 0.815 278 A HN 0.279 8.272 8.150 0.084 0.208 0.443 279 R N -0.358 120.122 120.500 -0.035 0.000 2.083 279 R HA -0.359 nan 4.340 nan 0.000 0.237 279 R C 1.596 177.911 176.300 0.025 0.000 1.137 279 R CA 2.308 58.336 56.100 -0.119 0.000 0.951 279 R CB -0.770 29.193 30.300 -0.562 0.000 0.851 279 R HN -0.196 8.054 8.270 -0.033 0.000 0.434 280 Y N -0.875 119.406 120.300 -0.032 0.000 2.081 280 Y HA -0.491 nan 4.550 nan 0.000 0.280 280 Y C 1.962 177.747 175.900 -0.192 0.000 1.163 280 Y CA 3.920 62.014 58.100 -0.010 0.000 1.135 280 Y CB -0.055 38.460 38.460 0.091 0.000 0.970 280 Y HN -0.196 8.232 8.280 0.247 0.000 0.498 281 V N -2.396 117.295 119.914 -0.373 0.000 2.261 281 V HA -0.528 nan 4.120 nan 0.000 0.246 281 V C 1.422 177.265 176.094 -0.418 0.000 1.047 281 V CA 3.545 65.359 62.300 -0.810 0.000 1.015 281 V CB -1.049 30.166 31.823 -1.014 0.000 0.642 281 V HN 0.083 8.171 8.190 -0.170 0.000 0.446 282 A N -0.156 122.522 122.820 -0.237 0.000 1.917 282 A HA -0.429 nan 4.320 nan 0.000 0.219 282 A C 1.687 179.180 177.584 -0.151 0.000 1.182 282 A CA 3.431 55.365 52.037 -0.171 0.000 0.633 282 A CB -0.907 18.013 19.000 -0.133 0.000 0.819 282 A HN -0.093 7.940 8.150 -0.195 0.000 0.448 283 K N -2.097 118.231 120.400 -0.120 0.000 2.097 283 K HA -0.374 nan 4.320 nan 0.000 0.205 283 K C 2.292 178.825 176.600 -0.111 0.000 1.050 283 K CA 3.355 59.597 56.287 -0.075 0.000 0.938 283 K CB -0.049 32.452 32.500 0.001 0.000 0.718 283 K HN 0.146 8.327 8.250 -0.115 0.000 0.442 284 N N 0.265 118.849 118.700 -0.193 0.000 2.084 284 N HA -0.294 nan 4.740 nan 0.000 0.190 284 N C 2.213 177.663 175.510 -0.100 0.000 1.030 284 N CA 4.059 57.013 53.050 -0.159 0.000 0.849 284 N CB 0.052 38.418 38.487 -0.202 0.000 1.012 284 N HN -0.416 7.796 8.380 -0.280 0.000 0.423 285 I N 0.357 120.866 120.570 -0.102 0.000 2.151 285 I HA -0.563 nan 4.170 nan 0.000 0.243 285 I C 1.333 177.407 176.117 -0.071 0.000 1.080 285 I CA 4.693 65.950 61.300 -0.072 0.000 1.339 285 I CB -0.083 37.869 38.000 -0.081 0.000 1.039 285 I HN 0.119 8.239 8.210 -0.149 0.000 0.409 286 V N -1.819 118.046 119.914 -0.081 0.000 2.591 286 V HA -0.312 nan 4.120 nan 0.000 0.249 286 V C 2.346 178.410 176.094 -0.050 0.000 1.053 286 V CA 3.796 66.056 62.300 -0.067 0.000 1.068 286 V CB -1.215 30.559 31.823 -0.082 0.000 0.689 286 V HN -0.351 7.781 8.190 -0.098 0.000 0.462 287 A N 1.184 123.973 122.820 -0.052 0.000 1.969 287 A HA -0.192 nan 4.320 nan 0.000 0.218 287 A C 1.004 178.563 177.584 -0.041 0.000 1.169 287 A CA 2.901 54.915 52.037 -0.039 0.000 0.635 287 A CB -0.499 18.477 19.000 -0.040 0.000 0.810 287 A HN 0.097 8.123 8.150 -0.064 0.085 0.445 288 A N -4.097 118.691 122.820 -0.053 0.000 2.259 288 A HA 0.078 nan 4.320 nan 0.000 0.208 288 A C -0.316 177.243 177.584 -0.043 0.000 1.201 288 A CA -0.662 51.342 52.037 -0.055 0.000 0.824 288 A CB -0.078 18.876 19.000 -0.078 0.000 0.838 288 A HN -0.238 7.867 8.150 -0.061 0.008 0.485 289 G N -2.301 106.478 108.800 -0.035 0.000 2.305 289 G HA2 -0.330 nan 3.960 nan 0.000 0.287 289 G HA3 -0.330 nan 3.960 nan 0.000 0.287 289 G C 0.356 175.240 174.900 -0.026 0.000 1.036 289 G CA 1.004 46.088 45.100 -0.026 0.000 0.887 289 G HN -0.295 7.772 8.290 -0.036 0.201 0.505 290 L N -1.825 119.378 121.223 -0.033 0.000 2.341 290 L HA 0.001 nan 4.340 nan 0.000 0.214 290 L C -1.422 175.434 176.870 -0.024 0.000 1.115 290 L CA 1.264 56.088 54.840 -0.027 0.000 0.820 290 L CB 0.363 42.405 42.059 -0.028 0.000 0.944 290 L HN -0.287 7.902 8.230 -0.040 0.016 0.452 291 A N -5.913 116.890 122.820 -0.029 0.000 2.588 291 A HA 0.181 nan 4.320 nan 0.000 0.290 291 A C -2.149 175.423 177.584 -0.021 0.000 1.136 291 A CA -0.578 51.446 52.037 -0.021 0.000 0.681 291 A CB 2.179 21.161 19.000 -0.031 0.000 1.282 291 A HN -0.932 7.175 8.150 -0.035 0.022 0.421 292 D N -2.414 117.984 120.400 -0.003 0.000 2.301 292 D HA 0.058 nan 4.640 nan 0.000 0.206 292 D C -0.763 175.517 176.300 -0.033 0.000 0.979 292 D CA 2.174 56.171 54.000 -0.006 0.000 0.874 292 D CB 1.832 42.641 40.800 0.015 0.000 0.968 292 D HN -0.154 8.224 8.370 0.014 0.000 0.510 293 R N -6.831 113.657 120.500 -0.021 0.000 2.633 293 R HA 0.425 nan 4.340 nan 0.000 0.255 293 R C -2.821 173.498 176.300 0.032 0.000 1.106 293 R CA -0.831 55.212 56.100 -0.095 0.000 0.959 293 R CB 2.243 32.484 30.300 -0.097 0.000 1.259 293 R HN -0.808 7.478 8.270 0.026 0.000 0.453 294 C N 2.866 122.047 119.300 -0.198 0.000 2.642 294 C HA 0.526 nan 4.460 nan 0.000 0.344 294 C C -2.154 172.727 174.990 -0.181 0.000 1.110 294 C CA -0.923 57.987 59.018 -0.180 0.000 1.298 294 C CB 2.742 30.375 27.740 -0.179 0.000 1.827 294 C HN 0.554 8.449 8.230 -0.557 0.000 0.467 295 E N 6.807 126.966 120.200 -0.068 0.000 2.195 295 E HA 0.839 nan 4.350 nan 0.000 0.271 295 E C -1.946 174.680 176.600 0.043 0.000 0.923 295 E CA -1.865 54.641 56.400 0.176 0.000 0.790 295 E CB 3.697 33.605 29.700 0.348 0.000 1.155 295 E HN 0.657 8.726 8.360 -0.304 0.109 0.402 296 I N 3.452 124.070 120.570 0.081 0.000 2.498 296 I HA 0.330 nan 4.170 nan 0.000 0.290 296 I C -1.792 174.287 176.117 -0.064 0.000 1.032 296 I CA -2.294 58.995 61.300 -0.019 0.000 1.073 296 I CB 2.321 40.285 38.000 -0.060 0.000 1.251 296 I HN 0.582 8.889 8.210 0.161 0.000 0.426 297 Q N 6.602 126.252 119.800 -0.251 0.000 2.347 297 Q HA 0.271 nan 4.340 nan 0.000 0.262 297 Q C -1.548 174.248 176.000 -0.340 0.000 0.980 297 Q CA -1.294 54.163 55.803 -0.577 0.000 0.867 297 Q CB 1.162 29.355 28.738 -0.907 0.000 1.242 297 Q HN 0.271 8.428 8.270 -0.188 0.000 0.453 298 V N 0.595 120.353 119.914 -0.260 0.000 2.713 298 V HA 0.669 nan 4.120 nan 0.000 0.307 298 V C -0.916 175.010 176.094 -0.281 0.000 1.052 298 V CA -2.611 59.533 62.300 -0.259 0.000 0.967 298 V CB 1.160 32.849 31.823 -0.223 0.000 1.019 298 V HN 0.245 8.300 8.190 -0.225 0.000 0.459 299 S N 1.691 117.161 115.700 -0.383 0.000 2.671 299 S HA 0.634 nan 4.470 nan 0.000 0.299 299 S C -1.511 172.808 174.600 -0.469 0.000 1.116 299 S CA -1.304 56.744 58.200 -0.255 0.000 0.912 299 S CB 3.189 66.293 63.200 -0.160 0.000 1.130 299 S HN 0.005 8.042 8.310 -0.455 0.000 0.501 300 Y N -1.840 118.438 120.300 -0.036 0.000 2.562 300 Y HA 0.208 nan 4.550 nan 0.000 0.345 300 Y C -1.977 173.913 175.900 -0.016 0.000 1.045 300 Y CA -0.370 57.717 58.100 -0.021 0.000 1.028 300 Y CB 4.798 43.248 38.460 -0.016 0.000 1.297 300 Y HN 0.175 8.533 8.280 0.131 0.000 0.463 301 A N -0.261 122.649 122.820 0.150 0.000 2.380 301 A HA 0.385 nan 4.320 nan 0.000 0.315 301 A C -1.794 175.842 177.584 0.086 0.000 1.101 301 A CA -2.562 49.526 52.037 0.084 0.000 0.771 301 A CB 2.894 21.919 19.000 0.043 0.000 1.287 301 A HN 0.449 8.707 8.150 0.179 0.000 0.436 302 I N 0.409 121.012 120.570 0.054 0.000 2.505 302 I HA -0.298 nan 4.170 nan 0.000 0.287 302 I C 0.794 176.932 176.117 0.035 0.000 1.104 302 I CA 0.917 62.241 61.300 0.040 0.000 1.387 302 I CB -0.150 37.864 38.000 0.023 0.000 1.404 302 I HN 0.252 8.487 8.210 0.042 0.000 0.528 303 G N 6.871 115.693 108.800 0.038 0.000 2.179 303 G HA2 -0.439 nan 3.960 nan 0.000 0.260 303 G HA3 -0.439 nan 3.960 nan 0.000 0.260 303 G C -1.412 173.510 174.900 0.036 0.000 0.977 303 G CA 0.206 45.324 45.100 0.029 0.000 0.641 303 G HN 0.554 8.765 8.290 0.045 0.106 0.533 304 V N 0.291 120.237 119.914 0.054 0.000 2.834 304 V HA 0.057 nan 4.120 nan 0.000 0.301 304 V C -0.615 175.535 176.094 0.093 0.000 1.066 304 V CA -0.343 61.991 62.300 0.058 0.000 1.052 304 V CB 1.068 32.922 31.823 0.053 0.000 1.021 304 V HN -0.735 7.420 8.190 0.063 0.073 0.480 305 A N 3.436 126.308 122.820 0.088 0.000 2.026 305 A HA 0.216 nan 4.320 nan 0.000 0.201 305 A C -0.685 176.986 177.584 0.146 0.000 1.318 305 A CA 1.306 53.418 52.037 0.125 0.000 0.857 305 A CB 0.659 19.712 19.000 0.088 0.000 0.939 305 A HN 0.246 8.433 8.150 0.061 0.000 0.476 306 E N -0.465 119.786 120.200 0.085 0.000 2.384 306 E HA 0.077 nan 4.350 nan 0.000 0.266 306 E C -2.049 174.557 176.600 0.011 0.000 1.012 306 E CA -2.221 54.211 56.400 0.053 0.000 0.901 306 E CB 0.461 30.172 29.700 0.018 0.000 0.967 306 E HN -0.239 8.158 8.360 0.061 0.000 0.435 307 P HA -0.102 nan 4.420 nan 0.000 0.260 307 P C -0.851 176.319 177.300 -0.216 0.000 1.172 307 P CA 0.708 63.593 63.100 -0.360 0.000 0.760 307 P CB 0.724 32.171 31.700 -0.422 0.000 0.773 308 T N -0.200 114.231 114.554 -0.205 0.000 2.881 308 T HA -0.167 nan 4.350 nan 0.000 0.270 308 T C 0.295 174.912 174.700 -0.138 0.000 1.068 308 T CA 1.181 63.206 62.100 -0.126 0.000 1.131 308 T CB 0.178 68.998 68.868 -0.079 0.000 0.871 308 T HN 0.035 8.130 8.240 -0.241 0.000 0.479 309 S N -0.273 115.311 115.700 -0.193 0.000 2.556 309 S HA 0.254 nan 4.470 nan 0.000 0.271 309 S C -1.940 172.545 174.600 -0.190 0.000 1.135 309 S CA -1.031 57.074 58.200 -0.159 0.000 0.858 309 S CB 2.528 65.647 63.200 -0.135 0.000 1.114 309 S HN -0.614 7.532 8.310 -0.273 0.000 0.468 313 E N 4.123 124.147 120.200 -0.293 0.000 2.235 313 E HA 0.379 nan 4.350 nan 0.000 0.252 313 E C -1.140 175.017 176.600 -0.739 0.000 0.886 313 E CA -0.360 55.735 56.400 -0.508 0.000 0.767 313 E CB 3.366 32.651 29.700 -0.692 0.000 1.205 313 E HN 0.281 8.473 8.360 -0.280 0.000 0.421 314 T N 2.632 116.944 114.554 -0.403 0.000 2.728 314 T HA 0.410 nan 4.350 nan 0.000 0.296 314 T C 0.073 174.669 174.700 -0.172 0.000 0.940 314 T CA -1.599 60.368 62.100 -0.222 0.000 1.013 314 T CB -0.348 68.458 68.868 -0.102 0.000 0.912 314 T HN 0.250 8.326 8.240 -0.274 0.000 0.484 315 F N 4.517 124.461 119.950 -0.010 0.000 2.451 315 F HA 0.036 nan 4.527 nan 0.000 0.356 315 F C 1.271 177.071 175.800 -0.000 0.000 1.178 315 F CA -2.960 55.044 58.000 0.006 0.000 1.210 315 F CB -2.125 36.886 39.000 0.019 0.000 1.504 315 F HN -0.228 8.363 8.300 0.485 0.000 0.598 316 G N 3.805 112.678 108.800 0.121 0.000 2.168 316 G HA2 -0.411 nan 3.960 nan 0.000 0.257 316 G HA3 -0.411 nan 3.960 nan 0.000 0.257 316 G C -0.699 174.241 174.900 0.067 0.000 0.997 316 G CA 1.033 46.181 45.100 0.079 0.000 0.708 316 G HN -0.075 8.225 8.290 0.065 0.029 0.520 317 T N -8.084 106.512 114.554 0.070 0.000 3.182 317 T HA 0.129 nan 4.350 nan 0.000 0.277 317 T C -0.137 174.578 174.700 0.025 0.000 1.013 317 T CA -2.048 60.085 62.100 0.054 0.000 0.900 317 T CB -0.361 68.555 68.868 0.078 0.000 1.098 317 T HN 0.073 8.350 8.240 0.061 0.000 0.543 318 E N 2.173 122.381 120.200 0.013 0.000 2.410 318 E HA 0.015 nan 4.350 nan 0.000 0.255 318 E C -0.202 176.399 176.600 0.001 0.000 1.194 318 E CA 1.033 57.432 56.400 -0.001 0.000 0.955 318 E CB 0.853 30.550 29.700 -0.006 0.000 0.988 318 E HN -0.419 7.893 8.360 0.016 0.058 0.461 319 K N -0.961 119.436 120.400 -0.004 0.000 2.734 319 K HA 0.220 nan 4.320 nan 0.000 0.200 319 K C -2.324 174.274 176.600 -0.003 0.000 1.120 319 K CA -0.286 55.999 56.287 -0.003 0.000 1.067 319 K CB 0.933 33.430 32.500 -0.005 0.000 0.771 319 K HN 0.410 8.655 8.250 -0.008 0.000 0.481 320 V N -1.973 117.939 119.914 -0.003 0.000 2.872 320 V HA 0.207 nan 4.120 nan 0.000 0.257 320 V C -3.404 172.688 176.094 -0.003 0.000 1.698 320 V CA -2.626 59.673 62.300 -0.001 0.000 0.913 320 V CB 2.350 34.172 31.823 -0.000 0.000 1.269 320 V HN -0.413 7.775 8.190 -0.004 0.000 0.463 321 P HA 0.368 nan 4.420 nan 0.000 0.275 321 P C 0.726 178.022 177.300 -0.007 0.000 1.228 321 P CA -0.657 62.440 63.100 -0.005 0.000 0.786 321 P CB 1.274 32.973 31.700 -0.003 0.000 0.927 322 S N 3.223 118.914 115.700 -0.015 0.000 2.400 322 S HA -0.466 nan 4.470 nan 0.000 0.232 322 S C 1.433 176.024 174.600 -0.015 0.000 1.025 322 S CA 3.963 62.150 58.200 -0.023 0.000 0.993 322 S CB -0.528 62.650 63.200 -0.036 0.000 0.808 322 S HN 0.770 9.071 8.310 -0.016 0.000 0.478 323 E N 3.191 123.385 120.200 -0.010 0.000 2.035 323 E HA -0.417 nan 4.350 nan 0.000 0.204 323 E C 2.203 178.805 176.600 0.004 0.000 1.025 323 E CA 2.875 59.273 56.400 -0.005 0.000 0.835 323 E CB -1.771 27.927 29.700 -0.004 0.000 0.764 323 E HN 0.106 8.451 8.360 -0.010 0.009 0.457 324 Q N -0.199 119.606 119.800 0.008 0.000 2.170 324 Q HA -0.267 nan 4.340 nan 0.000 0.203 324 Q C 2.707 178.726 176.000 0.031 0.000 0.976 324 Q CA 2.688 58.502 55.803 0.020 0.000 0.858 324 Q CB -0.275 28.474 28.738 0.019 0.000 0.907 324 Q HN -0.502 7.771 8.270 0.005 0.000 0.433 325 L N -0.926 120.310 121.223 0.020 0.000 2.046 325 L HA -0.446 nan 4.340 nan 0.000 0.208 325 L C 1.902 178.796 176.870 0.041 0.000 1.077 325 L CA 3.569 58.426 54.840 0.028 0.000 0.747 325 L CB -0.239 41.820 42.059 0.001 0.000 0.896 325 L HN 0.145 8.307 8.230 0.008 0.073 0.432 326 T N 1.214 115.780 114.554 0.020 0.000 2.821 326 T HA -0.328 nan 4.350 nan 0.000 0.267 326 T C 2.380 177.103 174.700 0.039 0.000 1.046 326 T CA 4.188 66.300 62.100 0.019 0.000 1.139 326 T CB -0.522 68.344 68.868 -0.004 0.000 0.871 326 T HN -0.085 8.065 8.240 0.008 0.094 0.454 327 L N 1.991 123.236 121.223 0.036 0.000 1.951 327 L HA -0.435 nan 4.340 nan 0.000 0.222 327 L C 2.016 178.930 176.870 0.072 0.000 1.078 327 L CA 3.663 58.526 54.840 0.039 0.000 0.778 327 L CB -0.197 41.882 42.059 0.033 0.000 0.893 327 L HN -0.083 8.164 8.230 0.026 -0.002 0.436 328 L N -2.651 118.646 121.223 0.123 0.000 2.127 328 L HA -0.394 nan 4.340 nan 0.000 0.211 328 L C 2.038 179.093 176.870 0.308 0.000 1.089 328 L CA 3.405 58.386 54.840 0.236 0.000 0.757 328 L CB -0.631 41.597 42.059 0.282 0.000 0.899 328 L HN -0.233 8.059 8.230 0.105 0.000 0.434 329 V N -0.242 119.831 119.914 0.266 0.000 2.255 329 V HA -0.561 nan 4.120 nan 0.000 0.247 329 V C 2.330 178.631 176.094 0.344 0.000 1.051 329 V CA 4.317 66.843 62.300 0.376 0.000 1.018 329 V CB -0.703 31.229 31.823 0.182 0.000 0.641 329 V HN 0.106 8.388 8.190 0.182 0.017 0.445 330 R N -2.898 117.697 120.500 0.159 0.000 2.189 330 R HA -0.260 nan 4.340 nan 0.000 0.223 330 R C 1.737 178.034 176.300 -0.005 0.000 1.092 330 R CA 2.401 58.553 56.100 0.086 0.000 0.989 330 R CB -0.507 29.813 30.300 0.033 0.000 0.876 330 R HN -0.473 7.869 8.270 0.121 0.000 0.457 331 E N -0.957 119.189 120.200 -0.090 0.000 2.033 331 E HA -0.141 nan 4.350 nan 0.000 0.189 331 E C 0.877 177.134 176.600 -0.572 0.000 0.979 331 E CA 1.952 58.124 56.400 -0.379 0.000 0.802 331 E CB -0.140 29.189 29.700 -0.619 0.000 0.763 331 E HN -0.726 7.476 8.360 0.003 0.160 0.449 332 F N -3.822 115.938 119.950 -0.317 0.000 2.780 332 F HA -0.082 nan 4.527 nan 0.000 0.299 332 F C -0.153 175.100 175.800 -0.911 0.000 1.146 332 F CA 2.398 59.983 58.000 -0.691 0.000 1.428 332 F CB 0.818 39.236 39.000 -0.971 0.000 1.115 332 F HN -0.394 7.872 8.300 -0.057 0.000 0.583 333 F N -1.970 118.072 119.950 0.152 0.000 2.536 333 F HA 0.073 nan 4.527 nan 0.000 0.322 333 F C -1.402 174.463 175.800 0.108 0.000 1.144 333 F CA -1.512 56.585 58.000 0.161 0.000 0.924 333 F CB 2.597 41.700 39.000 0.173 0.000 1.181 333 F HN -0.909 7.275 8.300 -0.075 0.070 0.438 334 D N 6.007 126.561 120.400 0.256 0.000 2.517 334 D HA 0.059 nan 4.640 nan 0.000 0.220 334 D C -0.354 176.066 176.300 0.201 0.000 1.158 334 D CA -1.138 52.968 54.000 0.176 0.000 0.992 334 D CB -0.754 40.128 40.800 0.137 0.000 1.058 334 D HN 0.246 8.784 8.370 0.281 0.000 0.516 335 L N 0.112 121.455 121.223 0.201 0.000 2.711 335 L HA -0.112 nan 4.340 nan 0.000 0.242 335 L C 0.294 177.312 176.870 0.246 0.000 1.153 335 L CA -0.624 54.343 54.840 0.212 0.000 0.898 335 L CB -1.446 40.716 42.059 0.171 0.000 1.044 335 L HN -0.462 7.878 8.230 0.185 0.000 0.437 336 R N 0.003 120.622 120.500 0.197 0.000 2.594 336 R HA -0.013 nan 4.340 nan 0.000 0.272 336 R C -1.442 174.964 176.300 0.177 0.000 1.074 336 R CA -0.160 56.068 56.100 0.212 0.000 1.105 336 R CB -0.944 29.450 30.300 0.158 0.000 1.008 336 R HN -0.830 7.678 8.270 0.164 -0.140 0.472 337 P HA -0.309 nan 4.420 nan 0.000 0.214 337 P C 0.941 178.246 177.300 0.009 0.000 1.172 337 P CA 3.027 66.113 63.100 -0.023 0.000 0.925 337 P CB 0.044 31.769 31.700 0.043 0.000 0.793 338 Y N -5.728 114.568 120.300 -0.008 0.000 2.561 338 Y HA -0.129 nan 4.550 nan 0.000 0.291 338 Y C 2.184 178.098 175.900 0.023 0.000 1.141 338 Y CA 1.631 59.730 58.100 -0.002 0.000 1.303 338 Y CB -1.158 37.298 38.460 -0.006 0.000 1.015 338 Y HN -0.322 8.268 8.280 0.517 0.000 0.547 339 G N 0.425 109.320 108.800 0.159 0.000 2.404 339 G HA2 -0.308 nan 3.960 nan 0.000 0.215 339 G HA3 -0.308 nan 3.960 nan 0.000 0.215 339 G C 0.746 175.707 174.900 0.101 0.000 1.174 339 G CA 1.685 46.861 45.100 0.126 0.000 0.780 339 G HN -0.281 7.935 8.290 0.170 0.177 0.537 340 L N 0.350 121.619 121.223 0.077 0.000 2.013 340 L HA -0.308 nan 4.340 nan 0.000 0.212 340 L C 2.315 179.202 176.870 0.029 0.000 1.073 340 L CA 1.503 56.378 54.840 0.058 0.000 0.753 340 L CB -1.116 40.946 42.059 0.005 0.000 0.890 340 L HN -0.112 8.165 8.230 0.078 0.000 0.432 341 I N -3.578 116.976 120.570 -0.028 0.000 2.208 341 I HA -0.525 nan 4.170 nan 0.000 0.245 341 I C 1.200 177.344 176.117 0.044 0.000 1.097 341 I CA 3.387 64.673 61.300 -0.023 0.000 1.363 341 I CB -0.384 37.557 38.000 -0.097 0.000 1.051 341 I HN -0.844 7.323 8.210 -0.071 0.000 0.413 345 D N 1.184 121.653 120.400 0.114 0.000 2.802 345 D HA -0.323 nan 4.640 nan 0.000 0.229 345 D C 0.119 176.587 176.300 0.280 0.000 1.203 345 D CA 1.379 55.487 54.000 0.181 0.000 0.712 345 D CB -0.501 40.406 40.800 0.178 0.000 0.973 345 D HN -0.408 7.900 8.370 0.095 0.120 0.407 346 L N -4.232 117.119 121.223 0.214 0.000 2.509 346 L HA -0.081 nan 4.340 nan 0.000 0.222 346 L C 0.530 177.540 176.870 0.233 0.000 1.123 346 L CA 0.488 55.498 54.840 0.283 0.000 0.856 346 L CB 0.555 42.753 42.059 0.232 0.000 0.985 346 L HN -0.463 7.853 8.230 0.143 0.000 0.456 347 L N -1.046 120.164 121.223 -0.022 0.000 2.480 347 L HA -0.048 nan 4.340 nan 0.000 0.243 347 L C -0.843 175.725 176.870 -0.502 0.000 1.315 347 L CA -0.060 54.673 54.840 -0.178 0.000 1.231 347 L CB -1.968 39.968 42.059 -0.206 0.000 1.444 347 L HN -0.348 7.810 8.230 -0.040 0.047 0.409 348 H N 0.702 119.878 119.070 0.176 0.000 3.037 348 H HA 0.280 nan 4.556 nan 0.000 0.355 348 H C -2.140 173.265 175.328 0.128 0.000 1.263 348 H CA -2.365 53.749 56.048 0.109 0.000 1.129 348 H CB 2.601 32.391 29.762 0.046 0.000 1.861 348 H HN 0.139 8.540 8.280 0.268 0.039 0.546 349 P HA 0.188 nan 4.420 nan 0.000 0.244 349 P C -1.193 176.135 177.300 0.046 0.000 1.769 349 P CA 0.536 63.730 63.100 0.157 0.000 1.102 349 P CB -1.309 30.470 31.700 0.131 0.000 1.937 350 I N -6.226 114.247 120.570 -0.162 0.000 4.082 350 I HA 0.226 nan 4.170 nan 0.000 0.337 350 I C 0.010 175.934 176.117 -0.322 0.000 1.352 350 I CA -0.548 60.599 61.300 -0.255 0.000 1.097 350 I CB 0.307 38.119 38.000 -0.314 0.000 1.048 350 I HN -0.343 7.657 8.210 -0.290 0.036 0.393 351 Y N 0.192 120.550 120.300 0.098 0.000 2.365 351 Y HA -0.287 nan 4.550 nan 0.000 0.293 351 Y C 1.932 177.862 175.900 0.050 0.000 1.119 351 Y CA 2.712 60.854 58.100 0.071 0.000 1.203 351 Y CB -0.292 38.209 38.460 0.069 0.000 1.026 351 Y HN -0.044 8.600 8.280 0.040 -0.340 0.549 352 K N -0.185 120.303 120.400 0.147 0.000 2.063 352 K HA -0.411 nan 4.320 nan 0.000 0.208 352 K C 1.782 178.431 176.600 0.082 0.000 1.048 352 K CA 3.628 59.980 56.287 0.109 0.000 0.928 352 K CB -0.158 32.400 32.500 0.097 0.000 0.713 352 K HN 0.100 8.977 8.250 0.148 -0.538 0.442 353 E N -3.433 116.828 120.200 0.101 0.000 2.338 353 E HA -0.216 nan 4.350 nan 0.000 0.197 353 E C 1.985 178.662 176.600 0.129 0.000 1.007 353 E CA 2.396 58.885 56.400 0.148 0.000 0.849 353 E CB -1.116 28.723 29.700 0.231 0.000 0.774 353 E HN 0.021 8.441 8.360 0.101 0.000 0.506 354 T N 1.715 116.260 114.554 -0.014 0.000 2.881 354 T HA -0.239 nan 4.350 nan 0.000 0.270 354 T C 1.306 175.726 174.700 -0.466 0.000 1.068 354 T CA 3.634 65.547 62.100 -0.311 0.000 1.131 354 T CB -0.600 68.108 68.868 -0.267 0.000 0.871 354 T HN -0.440 7.765 8.240 -0.005 0.032 0.479 355 A N -0.514 122.202 122.820 -0.173 0.000 2.235 355 A HA -0.042 nan 4.320 nan 0.000 0.208 355 A C -1.941 175.562 177.584 -0.136 0.000 1.172 355 A CA 0.750 52.731 52.037 -0.094 0.000 0.786 355 A CB 0.293 19.296 19.000 0.004 0.000 0.804 355 A HN -0.082 7.877 8.150 -0.066 0.152 0.479 356 A N -5.471 117.205 122.820 -0.239 0.000 2.515 356 A HA 0.495 nan 4.320 nan 0.000 0.298 356 A C -1.762 175.497 177.584 -0.542 0.000 1.059 356 A CA -0.286 51.447 52.037 -0.508 0.000 0.698 356 A CB 1.806 20.378 19.000 -0.714 0.000 1.289 356 A HN -0.821 7.148 8.150 -0.195 0.064 0.404 357 Y N -4.674 115.569 120.300 -0.094 0.000 4.929 357 Y HA -0.520 nan 4.550 nan 0.000 0.253 357 Y C -0.322 175.167 175.900 -0.686 0.000 0.946 357 Y CA 0.337 58.254 58.100 -0.305 0.000 1.905 357 Y CB -1.929 36.455 38.460 -0.127 0.000 1.400 357 Y HN 0.979 8.867 8.280 -0.654 0.000 0.531 358 G N -4.041 104.556 108.800 -0.338 0.000 2.674 358 G HA2 -0.324 nan 3.960 nan 0.000 0.686 358 G HA3 -0.324 nan 3.960 nan 0.000 0.686 358 G C -0.334 174.571 174.900 0.007 0.000 1.195 358 G CA -0.445 44.540 45.100 -0.191 0.000 0.776 358 G HN -0.810 7.260 8.290 -0.217 0.090 0.654 359 H N 2.510 121.504 119.070 -0.127 0.000 2.497 359 H HA 0.255 nan 4.556 nan 0.000 0.282 359 H C 0.548 175.993 175.328 0.195 0.000 1.003 359 H CA 2.330 58.298 56.048 -0.133 0.000 1.307 359 H CB 0.874 30.359 29.762 -0.462 0.000 1.437 359 H HN 0.152 8.493 8.280 0.102 0.000 0.544 360 F N -4.033 116.155 119.950 0.398 0.000 2.518 360 F HA 0.065 nan 4.527 nan 0.000 0.338 360 F C 0.733 176.702 175.800 0.281 0.000 1.065 360 F CA -1.910 56.322 58.000 0.387 0.000 1.012 360 F CB 1.134 40.280 39.000 0.243 0.000 1.297 360 F HN -0.787 7.581 8.300 0.114 0.000 0.489 361 G N -2.131 106.934 108.800 0.440 0.000 2.179 361 G HA2 -0.391 nan 3.960 nan 0.000 0.260 361 G HA3 -0.391 nan 3.960 nan 0.000 0.260 361 G C -0.853 174.124 174.900 0.128 0.000 0.977 361 G CA 0.261 45.515 45.100 0.256 0.000 0.641 361 G HN 0.149 9.219 8.290 0.476 -0.494 0.533 362 R N 0.286 120.830 120.500 0.072 0.000 2.229 362 R HA 0.137 nan 4.340 nan 0.000 0.332 362 R C -0.238 175.866 176.300 -0.326 0.000 0.989 362 R CA -1.400 54.601 56.100 -0.165 0.000 0.842 362 R CB 0.558 30.655 30.300 -0.338 0.000 1.119 362 R HN -0.328 7.994 8.270 0.205 0.070 0.456 363 E N 3.744 123.846 120.200 -0.163 0.000 2.463 363 E HA -0.257 nan 4.350 nan 0.000 0.201 363 E C 0.106 176.575 176.600 -0.218 0.000 1.045 363 E CA 1.608 57.925 56.400 -0.138 0.000 0.872 363 E CB -0.404 29.265 29.700 -0.050 0.000 0.797 363 E HN 0.709 9.022 8.360 -0.079 0.000 0.538 364 H N -5.564 113.216 119.070 -0.484 0.000 2.488 364 H HA 0.220 nan 4.556 nan 0.000 0.294 364 H C -0.946 174.085 175.328 -0.496 0.000 1.088 364 H CA -1.553 54.239 56.048 -0.428 0.000 1.086 364 H CB -0.696 28.848 29.762 -0.363 0.000 1.569 364 H HN -0.534 7.160 8.280 -0.821 0.094 0.548 365 F N 2.029 121.513 119.950 -0.777 0.000 2.450 365 F HA 0.438 nan 4.527 nan 0.000 0.332 365 F C -0.973 174.271 175.800 -0.926 0.000 1.093 365 F CA -4.273 53.038 58.000 -1.148 0.000 1.003 365 F CB 0.511 38.332 39.000 -1.966 0.000 1.151 365 F HN -0.645 7.183 8.300 -0.659 0.076 0.474 366 P HA -0.184 nan 4.420 nan 0.000 0.218 366 P C 0.239 177.420 177.300 -0.197 0.000 1.146 366 P CA 2.179 65.132 63.100 -0.245 0.000 0.813 366 P CB -0.094 31.551 31.700 -0.091 0.000 0.778 367 W N -5.810 115.455 121.300 -0.058 0.000 3.047 367 W HA 0.128 nan 4.660 nan 0.000 0.250 367 W C -0.505 176.139 176.519 0.208 0.000 1.314 367 W CA 0.222 57.537 57.345 -0.050 0.000 1.540 367 W CB -1.322 28.096 29.460 -0.070 0.000 1.127 367 W HN -0.389 7.158 8.180 -1.009 0.028 0.679 368 E N -3.181 117.025 120.200 0.009 0.000 2.472 368 E HA 0.209 nan 4.350 nan 0.000 0.196 368 E C -0.325 176.341 176.600 0.111 0.000 1.033 368 E CA -0.203 56.252 56.400 0.090 0.000 0.886 368 E CB 0.964 30.629 29.700 -0.058 0.000 0.944 368 E HN -0.094 7.912 8.360 -0.298 0.175 0.492 369 K N 0.164 120.655 120.400 0.152 0.000 2.249 369 K HA 0.157 nan 4.320 nan 0.000 0.280 369 K C 0.206 176.933 176.600 0.212 0.000 1.033 369 K CA -0.447 55.926 56.287 0.144 0.000 0.946 369 K CB -0.392 32.165 32.500 0.095 0.000 1.005 369 K HN -0.879 7.421 8.250 0.181 0.059 0.469 370 T N -0.106 114.506 114.554 0.096 0.000 3.287 370 T HA 0.233 nan 4.350 nan 0.000 0.253 370 T C 0.190 174.906 174.700 0.026 0.000 0.975 370 T CA -1.044 61.075 62.100 0.031 0.000 0.912 370 T CB -1.903 66.969 68.868 0.005 0.000 1.071 370 T HN 0.424 8.704 8.240 0.066 0.000 0.578 371 D N 1.586 122.041 120.400 0.091 0.000 2.144 371 D HA -0.265 nan 4.640 nan 0.000 0.199 371 D C 0.649 176.968 176.300 0.031 0.000 0.984 371 D CA 3.007 57.053 54.000 0.077 0.000 0.834 371 D CB -0.690 40.190 40.800 0.134 0.000 0.955 371 D HN -0.323 8.088 8.370 0.180 0.068 0.465 372 K N -1.313 119.095 120.400 0.013 0.000 2.551 372 K HA -0.004 nan 4.320 nan 0.000 0.192 372 K C 1.176 177.688 176.600 -0.146 0.000 1.027 372 K CA -0.737 55.509 56.287 -0.067 0.000 1.059 372 K CB -1.231 31.220 32.500 -0.082 0.000 0.831 372 K HN -0.184 8.090 8.250 0.040 0.000 0.508 373 A N 0.677 123.440 122.820 -0.095 0.000 1.848 373 A HA -0.447 nan 4.320 nan 0.000 0.217 373 A C 1.956 179.461 177.584 -0.131 0.000 1.220 373 A CA 3.567 55.543 52.037 -0.100 0.000 0.645 373 A CB -1.020 17.944 19.000 -0.060 0.000 0.842 373 A HN -0.061 7.942 8.150 -0.057 0.113 0.451 374 Q N -1.216 118.521 119.800 -0.105 0.000 2.046 374 Q HA -0.252 nan 4.340 nan 0.000 0.200 374 Q C 2.228 178.135 176.000 -0.155 0.000 0.975 374 Q CA 2.538 58.280 55.803 -0.101 0.000 0.836 374 Q CB -0.718 27.983 28.738 -0.061 0.000 0.896 374 Q HN 0.157 8.380 8.270 -0.079 0.000 0.428 375 L N -1.489 119.620 121.223 -0.189 0.000 2.137 375 L HA -0.388 nan 4.340 nan 0.000 0.213 375 L C 2.344 178.856 176.870 -0.597 0.000 1.085 375 L CA 2.788 57.467 54.840 -0.268 0.000 0.760 375 L CB -0.629 41.289 42.059 -0.235 0.000 0.893 375 L HN -0.124 8.017 8.230 -0.149 0.000 0.434 376 L N -1.803 119.013 121.223 -0.677 0.000 2.072 376 L HA -0.282 nan 4.340 nan 0.000 0.205 376 L C 1.605 178.293 176.870 -0.304 0.000 1.079 376 L CA 3.120 57.535 54.840 -0.709 0.000 0.752 376 L CB -0.482 41.295 42.059 -0.470 0.000 0.906 376 L HN -0.064 7.773 8.230 -0.495 0.096 0.436 377 R N -1.225 119.159 120.500 -0.193 0.000 2.091 377 R HA -0.434 nan 4.340 nan 0.000 0.238 377 R C 2.142 178.399 176.300 -0.071 0.000 1.136 377 R CA 3.372 59.410 56.100 -0.102 0.000 0.959 377 R CB -0.668 29.586 30.300 -0.077 0.000 0.856 377 R HN -0.760 7.306 8.270 -0.203 0.082 0.437 378 D N -0.783 119.570 120.400 -0.078 0.000 2.120 378 D HA -0.310 nan 4.640 nan 0.000 0.191 378 D C 2.189 178.496 176.300 0.012 0.000 0.994 378 D CA 3.081 57.065 54.000 -0.027 0.000 0.838 378 D CB -0.410 40.382 40.800 -0.014 0.000 0.976 378 D HN 0.027 8.328 8.370 -0.114 0.000 0.447 379 A N -1.765 121.086 122.820 0.051 0.000 2.076 379 A HA -0.180 nan 4.320 nan 0.000 0.220 379 A C 0.933 178.562 177.584 0.076 0.000 1.160 379 A CA 2.283 54.392 52.037 0.120 0.000 0.653 379 A CB -0.457 18.732 19.000 0.315 0.000 0.801 379 A HN -0.703 7.465 8.150 0.030 0.000 0.455 380 A N -3.719 119.121 122.820 0.032 0.000 2.412 380 A HA 0.075 nan 4.320 nan 0.000 0.253 380 A C -0.961 176.628 177.584 0.009 0.000 1.334 380 A CA -0.873 51.176 52.037 0.020 0.000 0.929 380 A CB -0.398 18.601 19.000 -0.002 0.000 0.983 380 A HN -0.629 7.388 8.150 -0.001 0.132 0.508 381 G N -1.680 107.127 108.800 0.012 0.000 2.684 381 G HA2 -0.374 nan 3.960 nan 0.000 0.229 381 G HA3 -0.374 nan 3.960 nan 0.000 0.229 381 G C -1.013 173.884 174.900 -0.004 0.000 0.927 381 G CA -0.087 45.016 45.100 0.005 0.000 1.147 381 G HN -0.289 7.917 8.290 0.021 0.097 0.402 382 L N 2.669 123.889 121.223 -0.005 0.000 2.742 382 L HA -0.314 nan 4.340 nan 0.000 0.297 382 L C -1.331 175.534 176.870 -0.008 0.000 1.238 382 L CA 1.673 56.507 54.840 -0.010 0.000 0.895 382 L CB 0.380 42.435 42.059 -0.006 0.000 1.166 382 L HN -0.459 7.771 8.230 -0.000 0.000 0.494 383 K N 0.000 120.393 120.400 -0.012 0.000 2.780 383 K HA 0.000 nan 4.320 nan 0.000 0.191 383 K CA 0.000 56.281 56.287 -0.010 0.000 0.838 383 K CB 0.000 32.494 32.500 -0.009 0.000 1.064 383 K HN 0.000 8.240 8.250 -0.016 0.000 0.543