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 1xjv_1_A DATA FIRST_RESID 6 DATA SEQUENCE ATNYIYTPLN QLKGGTIVNV YGVVKFFKPP YLSKGTDYCS VVTIVDQTNV DATA SEQUENCE KLTCLLFSGN YEALPIIYKN GDIVRFHRLK IQVYKKETQG ITSSGFASLT DATA SEQUENCE FEGTLGAPII PRTSSKYFNF TTEDHKMVEA LRVWASTHMS XXXTLLKLCD DATA SEQUENCE VQPMQYFDLT CQLLGKAEVD GASFLLKVWD GTRTPFPSWR VLIQDLVLEG DATA SEQUENCE DLSHIHRLQN LTIDILVYDN HVHVARSLKV GSFLRIYSLH TKLQSMNSEN DATA SEQUENCE QTMLSLEFHL HGGTSYGRGI RVLPESNSDV DQLKKDLESA NLTA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 6 A HA 0.000 nan 4.320 nan 0.000 0.244 6 A C 0.000 177.537 177.584 -0.078 0.000 1.274 6 A CA 0.000 52.009 52.037 -0.047 0.000 0.836 6 A CB 0.000 18.971 19.000 -0.047 0.000 0.831 7 T N 2.915 117.430 114.554 -0.065 0.000 2.832 7 T HA 0.412 4.762 4.350 0.000 0.000 0.313 7 T C -0.119 174.518 174.700 -0.104 0.000 1.035 7 T CA -0.080 61.953 62.100 -0.111 0.000 0.950 7 T CB -0.103 68.751 68.868 -0.024 0.000 0.984 7 T HN 0.619 nan 8.240 nan 0.000 0.486 8 N N 3.229 121.806 118.700 -0.206 0.000 2.504 8 N HA 0.267 5.007 4.740 0.000 0.000 0.280 8 N C -1.510 173.853 175.510 -0.245 0.000 1.052 8 N CA -0.445 52.530 53.050 -0.126 0.000 0.887 8 N CB 1.079 39.519 38.487 -0.079 0.000 1.323 8 N HN 0.362 nan 8.380 nan 0.000 0.509 9 Y N 3.209 123.470 120.300 -0.063 0.000 2.313 9 Y HA 0.375 4.925 4.550 0.000 0.000 0.332 9 Y C 0.367 176.081 175.900 -0.310 0.000 1.071 9 Y CA -0.437 57.525 58.100 -0.230 0.000 1.169 9 Y CB 0.900 39.216 38.460 -0.241 0.000 1.192 9 Y HN 0.362 nan 8.280 nan 0.000 0.487 10 I N 4.944 125.379 120.570 -0.225 0.000 2.354 10 I HA 0.169 4.339 4.170 0.000 0.000 0.292 10 I C -0.879 175.039 176.117 -0.331 0.000 0.989 10 I CA -1.416 59.776 61.300 -0.180 0.000 1.188 10 I CB 0.576 38.528 38.000 -0.080 0.000 1.342 10 I HN 0.492 nan 8.210 nan 0.000 0.457 11 Y N 3.856 124.246 120.300 0.151 0.000 2.328 11 Y HA 0.331 4.881 4.550 0.000 0.000 0.337 11 Y C 0.850 176.811 175.900 0.102 0.000 1.008 11 Y CA -0.533 57.662 58.100 0.158 0.000 1.129 11 Y CB 1.390 39.987 38.460 0.229 0.000 1.185 11 Y HN 0.405 nan 8.280 nan 0.000 0.476 12 T N 6.510 121.180 114.554 0.193 0.000 2.771 12 T HA 0.296 4.646 4.350 0.000 0.000 0.291 12 T C -2.466 172.299 174.700 0.109 0.000 0.954 12 T CA -1.560 60.612 62.100 0.121 0.000 1.045 12 T CB 0.786 69.706 68.868 0.086 0.000 0.917 12 T HN 0.272 nan 8.240 nan 0.000 0.484 13 P HA 0.113 nan 4.420 nan 0.000 0.266 13 P C 0.867 178.179 177.300 0.020 0.000 1.195 13 P CA -0.142 62.972 63.100 0.025 0.000 0.768 13 P CB 0.476 32.177 31.700 0.002 0.000 0.838 14 L N 1.860 123.081 121.223 -0.004 0.000 2.353 14 L HA -0.146 4.194 4.340 0.000 0.000 0.220 14 L C 1.654 178.528 176.870 0.005 0.000 1.133 14 L CA 1.134 55.977 54.840 0.005 0.000 0.798 14 L CB -0.772 41.276 42.059 -0.018 0.000 0.922 14 L HN 0.513 nan 8.230 nan 0.000 0.445 15 N N -0.543 118.153 118.700 -0.007 0.000 2.322 15 N HA -0.093 4.647 4.740 0.000 0.000 0.194 15 N C 0.944 176.459 175.510 0.009 0.000 1.126 15 N CA 0.220 53.269 53.050 -0.001 0.000 0.845 15 N CB 0.219 38.699 38.487 -0.013 0.000 0.976 15 N HN 0.422 nan 8.380 nan 0.000 0.475 16 Q N 0.323 120.133 119.800 0.016 0.000 2.135 16 Q HA 0.371 4.711 4.340 0.000 0.000 0.231 16 Q C -0.538 175.479 176.000 0.030 0.000 0.817 16 Q CA -0.233 55.583 55.803 0.021 0.000 1.073 16 Q CB 0.954 29.705 28.738 0.021 0.000 1.176 16 Q HN 0.284 nan 8.270 nan 0.000 0.478 17 L N 1.688 122.931 121.223 0.035 0.000 2.349 17 L HA 0.343 4.683 4.340 0.000 0.000 0.275 17 L C 0.028 176.921 176.870 0.038 0.000 1.115 17 L CA -0.223 54.643 54.840 0.043 0.000 0.820 17 L CB 0.403 42.494 42.059 0.053 0.000 1.135 17 L HN -0.135 nan 8.230 nan 0.000 0.445 18 K N 2.054 122.476 120.400 0.038 0.000 2.318 18 K HA 0.505 4.825 4.320 0.000 0.000 0.249 18 K C -0.019 176.603 176.600 0.037 0.000 0.942 18 K CA -0.628 55.679 56.287 0.033 0.000 0.808 18 K CB 1.918 34.434 32.500 0.027 0.000 1.189 18 K HN 0.654 nan 8.250 nan 0.000 0.428 19 G N -0.770 108.051 108.800 0.035 0.000 2.594 19 G HA2 0.362 4.322 3.960 0.000 0.000 0.243 19 G HA3 0.362 4.322 3.960 0.000 0.000 0.243 19 G C 0.682 175.602 174.900 0.033 0.000 1.229 19 G CA 0.339 45.462 45.100 0.038 0.000 0.843 19 G HN 0.764 nan 8.290 nan 0.000 0.578 20 G N -0.551 108.270 108.800 0.035 0.000 2.198 20 G HA2 0.075 4.035 3.960 0.000 0.000 0.257 20 G HA3 0.075 4.035 3.960 0.000 0.000 0.257 20 G C 0.376 175.293 174.900 0.028 0.000 1.042 20 G CA 1.210 46.328 45.100 0.029 0.000 0.791 20 G HN 1.988 nan 8.290 nan 0.000 0.502 21 T N -2.461 112.114 114.554 0.035 0.000 2.883 21 T HA 0.767 5.117 4.350 0.000 0.000 0.296 21 T C -0.431 174.296 174.700 0.045 0.000 1.117 21 T CA -1.000 61.121 62.100 0.035 0.000 1.006 21 T CB 2.659 71.547 68.868 0.034 0.000 1.191 21 T HN 0.585 nan 8.240 nan 0.000 0.508 22 I N 2.226 122.822 120.570 0.044 0.000 2.418 22 I HA 0.610 4.780 4.170 0.000 0.000 0.287 22 I C -0.058 176.095 176.117 0.060 0.000 1.008 22 I CA -1.055 60.281 61.300 0.059 0.000 1.104 22 I CB 1.735 39.767 38.000 0.053 0.000 1.264 22 I HN 0.784 nan 8.210 nan 0.000 0.438 23 V N 2.761 122.726 119.914 0.086 0.000 3.119 23 V HA 0.652 4.772 4.120 0.000 0.000 0.311 23 V C -0.942 175.225 176.094 0.122 0.000 1.259 23 V CA -0.913 61.437 62.300 0.084 0.000 1.067 23 V CB 2.239 34.116 31.823 0.090 0.000 1.123 23 V HN 0.742 nan 8.190 nan 0.000 0.463 24 N N -0.213 118.555 118.700 0.112 0.000 2.284 24 N HA 0.799 5.539 4.740 0.000 0.000 0.300 24 N C -1.051 174.650 175.510 0.319 0.000 1.047 24 N CA -0.628 52.538 53.050 0.193 0.000 0.821 24 N CB 2.434 40.887 38.487 -0.057 0.000 1.337 24 N HN 0.981 nan 8.380 nan 0.000 0.482 25 V N -1.280 118.857 119.914 0.371 0.000 3.114 25 V HA 0.611 4.731 4.120 0.000 0.000 0.308 25 V C -1.603 174.519 176.094 0.046 0.000 1.168 25 V CA -0.817 61.648 62.300 0.276 0.000 1.015 25 V CB 1.563 33.492 31.823 0.176 0.000 1.050 25 V HN 0.627 nan 8.190 nan 0.000 0.433 26 Y N 0.533 120.812 120.300 -0.034 0.000 2.446 26 Y HA 0.913 5.464 4.550 0.000 0.000 0.345 26 Y C 0.586 176.366 175.900 -0.200 0.000 0.984 26 Y CA 0.468 58.453 58.100 -0.192 0.000 1.058 26 Y CB 2.652 40.954 38.460 -0.263 0.000 1.220 26 Y HN 1.295 nan 8.280 nan 0.000 0.455 27 G N 0.946 109.717 108.800 -0.048 0.000 2.523 27 G HA2 0.487 4.447 3.960 0.000 0.000 0.291 27 G HA3 0.487 4.447 3.960 0.000 0.000 0.291 27 G C -2.334 172.528 174.900 -0.063 0.000 1.450 27 G CA -0.742 44.303 45.100 -0.092 0.000 0.790 27 G HN 0.449 nan 8.290 nan 0.000 0.496 28 V N 0.267 120.174 119.914 -0.010 0.000 2.472 28 V HA 0.456 4.576 4.120 0.000 0.000 0.290 28 V C 0.405 176.530 176.094 0.053 0.000 1.037 28 V CA -0.724 61.614 62.300 0.064 0.000 0.908 28 V CB 1.657 33.607 31.823 0.212 0.000 0.985 28 V HN 0.597 nan 8.190 nan 0.000 0.454 29 V N 5.151 125.082 119.914 0.028 0.000 2.439 29 V HA 0.108 4.228 4.120 0.000 0.000 0.271 29 V C 1.197 177.370 176.094 0.132 0.000 1.040 29 V CA 0.165 62.490 62.300 0.042 0.000 1.002 29 V CB 0.684 32.474 31.823 -0.055 0.000 1.000 29 V HN 1.001 nan 8.190 nan 0.000 0.477 30 K N 4.776 125.281 120.400 0.176 0.000 2.242 30 K HA 0.152 4.472 4.320 0.000 0.000 0.200 30 K C 0.170 176.952 176.600 0.303 0.000 1.050 30 K CA 0.435 56.854 56.287 0.219 0.000 0.981 30 K CB 0.432 33.053 32.500 0.203 0.000 0.795 30 K HN 0.503 nan 8.250 nan 0.000 0.477 31 F N 0.630 120.667 119.950 0.145 0.000 2.678 31 F HA 0.440 4.967 4.527 0.000 0.000 0.308 31 F C -2.113 173.824 175.800 0.227 0.000 1.118 31 F CA -1.268 56.809 58.000 0.129 0.000 0.959 31 F CB 1.465 40.468 39.000 0.005 0.000 1.305 31 F HN 0.012 nan 8.300 nan 0.000 0.443 32 F N 1.915 121.031 119.950 -1.390 0.000 2.688 32 F HA 0.596 5.124 4.527 0.000 0.000 0.308 32 F C -2.236 172.930 175.800 -1.058 0.000 1.117 32 F CA -1.123 56.291 58.000 -0.977 0.000 0.976 32 F CB 1.516 40.242 39.000 -0.457 0.000 1.291 32 F HN 0.409 nan 8.300 nan 0.000 0.439 33 K N 4.609 124.658 120.400 -0.585 0.000 2.293 33 K HA 0.424 4.744 4.320 0.000 0.000 0.267 33 K C -2.686 173.851 176.600 -0.106 0.000 1.010 33 K CA -1.844 54.223 56.287 -0.367 0.000 0.875 33 K CB 1.719 34.229 32.500 0.016 0.000 1.106 33 K HN 0.368 nan 8.250 nan 0.000 0.450 34 P HA 0.053 nan 4.420 nan 0.000 0.270 34 P C -2.602 174.765 177.300 0.111 0.000 1.223 34 P CA -1.326 61.807 63.100 0.054 0.000 0.785 34 P CB -0.367 31.369 31.700 0.062 0.000 0.923 35 P HA -0.003 nan 4.420 nan 0.000 0.261 35 P C -0.981 176.477 177.300 0.264 0.000 1.173 35 P CA 0.982 64.003 63.100 -0.133 0.000 0.760 35 P CB -0.433 30.802 31.700 -0.775 0.000 0.783 36 Y N 1.278 121.725 120.300 0.246 0.000 2.504 36 Y HA 0.557 5.107 4.550 -0.000 0.000 0.344 36 Y C -1.171 174.936 175.900 0.344 0.000 1.023 36 Y CA -2.141 56.163 58.100 0.340 0.000 1.020 36 Y CB 0.656 39.232 38.460 0.194 0.000 1.282 36 Y HN 0.049 nan 8.280 nan 0.000 0.454 37 L N 4.619 126.082 121.223 0.400 0.000 2.500 37 L HA 0.284 4.624 4.340 0.000 0.000 0.272 37 L C 0.548 177.490 176.870 0.120 0.000 1.149 37 L CA 0.550 55.361 54.840 -0.049 0.000 0.897 37 L CB -0.227 41.762 42.059 -0.117 0.000 1.178 37 L HN 0.920 nan 8.230 nan 0.000 0.473 38 S N 3.866 119.569 115.700 0.005 0.000 2.652 38 S HA 0.282 4.752 4.470 0.000 0.000 0.267 38 S C 0.948 175.585 174.600 0.063 0.000 1.201 38 S CA -0.481 57.792 58.200 0.122 0.000 0.996 38 S CB 0.663 63.919 63.200 0.093 0.000 1.054 38 S HN 0.534 nan 8.310 nan 0.000 0.561 39 K N 0.490 120.935 120.400 0.076 0.000 2.525 39 K HA 0.297 4.617 4.320 0.000 0.000 0.192 39 K C 0.963 177.550 176.600 -0.021 0.000 1.029 39 K CA 0.571 56.872 56.287 0.023 0.000 1.029 39 K CB -0.752 31.768 32.500 0.033 0.000 0.814 39 K HN 0.643 nan 8.250 nan 0.000 0.503 40 G N -1.408 107.369 108.800 -0.038 0.000 2.940 40 G HA2 0.076 4.036 3.960 0.000 0.000 0.164 40 G HA3 0.076 4.036 3.960 0.000 0.000 0.164 40 G C 0.690 175.534 174.900 -0.093 0.000 1.326 40 G CA -0.243 44.808 45.100 -0.081 0.000 1.020 40 G HN 0.053 nan 8.290 nan 0.000 0.586 41 T N 0.763 115.253 114.554 -0.107 0.000 2.851 41 T HA 0.099 4.449 4.350 0.000 0.000 0.262 41 T C 0.366 175.010 174.700 -0.093 0.000 1.043 41 T CA 0.928 62.972 62.100 -0.093 0.000 1.140 41 T CB -0.145 68.674 68.868 -0.083 0.000 0.872 41 T HN 0.389 nan 8.240 nan 0.000 0.446 42 D N -0.472 119.887 120.400 -0.068 0.000 2.440 42 D HA 0.332 4.972 4.640 0.000 0.000 0.258 42 D C -0.634 175.643 176.300 -0.037 0.000 1.092 42 D CA -0.572 53.422 54.000 -0.010 0.000 1.016 42 D CB 0.620 41.474 40.800 0.090 0.000 1.141 42 D HN 0.147 nan 8.370 nan 0.000 0.552 43 Y N -0.308 120.000 120.300 0.015 0.000 2.314 43 Y HA 0.269 4.820 4.550 0.001 0.000 0.334 43 Y C 0.612 176.397 175.900 -0.191 0.000 1.266 43 Y CA -0.183 57.880 58.100 -0.062 0.000 1.391 43 Y CB 1.001 39.440 38.460 -0.035 0.000 1.306 43 Y HN 0.249 nan 8.280 nan 0.000 0.558 44 C N 1.788 120.890 119.300 -0.331 0.000 2.698 44 C HA 0.793 5.254 4.460 0.000 0.000 0.309 44 C C -0.746 173.840 174.990 -0.674 0.000 1.186 44 C CA -0.425 58.204 59.018 -0.648 0.000 1.474 44 C CB 0.838 28.109 27.740 -0.782 0.000 2.020 44 C HN 0.772 nan 8.230 nan 0.000 0.474 45 S N 3.490 118.875 115.700 -0.525 0.000 2.614 45 S HA 0.740 5.210 4.470 0.000 0.000 0.288 45 S C -1.418 173.026 174.600 -0.259 0.000 1.137 45 S CA -0.370 57.656 58.200 -0.291 0.000 0.992 45 S CB 1.362 64.406 63.200 -0.260 0.000 1.026 45 S HN 0.832 nan 8.310 nan 0.000 0.486 46 V N 5.241 125.106 119.914 -0.083 0.000 2.398 46 V HA 0.648 4.768 4.120 0.000 0.000 0.286 46 V C -0.598 175.523 176.094 0.044 0.000 1.026 46 V CA -0.485 61.802 62.300 -0.021 0.000 0.868 46 V CB 1.558 33.452 31.823 0.118 0.000 0.982 46 V HN 0.733 nan 8.190 nan 0.000 0.443 47 V N 3.543 123.504 119.914 0.078 0.000 2.577 47 V HA 0.453 4.573 4.120 0.000 0.000 0.303 47 V C -0.060 176.153 176.094 0.199 0.000 1.042 47 V CA -0.436 61.955 62.300 0.152 0.000 0.872 47 V CB 2.236 34.174 31.823 0.192 0.000 0.998 47 V HN 0.867 nan 8.190 nan 0.000 0.423 48 T N 6.657 121.358 114.554 0.245 0.000 2.758 48 T HA 0.679 5.029 4.350 0.000 0.000 0.285 48 T C -0.117 174.677 174.700 0.156 0.000 0.981 48 T CA -0.111 62.113 62.100 0.207 0.000 0.965 48 T CB 0.623 69.634 68.868 0.239 0.000 0.927 48 T HN 0.653 nan 8.240 nan 0.000 0.448 49 I N 0.817 121.451 120.570 0.106 0.000 2.910 49 I HA 0.957 5.127 4.170 0.000 0.000 0.310 49 I C -0.804 175.338 176.117 0.042 0.000 1.043 49 I CA -1.251 60.079 61.300 0.049 0.000 1.053 49 I CB 1.945 39.920 38.000 -0.041 0.000 1.242 49 I HN 0.381 nan 8.210 nan 0.000 0.452 50 V N 2.324 122.247 119.914 0.016 0.000 3.087 50 V HA 0.616 4.736 4.120 0.000 0.000 0.306 50 V C -1.765 174.199 176.094 -0.217 0.000 1.187 50 V CA -0.117 62.164 62.300 -0.032 0.000 0.999 50 V CB 2.273 34.158 31.823 0.104 0.000 1.049 50 V HN 1.167 nan 8.190 nan 0.000 0.431 51 D N 2.703 122.850 120.400 -0.421 0.000 2.837 51 D HA 0.303 4.943 4.640 0.000 0.000 0.294 51 D C 0.418 176.007 176.300 -1.185 0.000 1.158 51 D CA -0.273 53.309 54.000 -0.697 0.000 1.073 51 D CB 1.117 41.699 40.800 -0.363 0.000 1.419 51 D HN 0.333 nan 8.370 nan 0.000 0.584 52 Q N -0.646 118.516 119.800 -1.063 0.000 2.248 52 Q HA -0.066 4.275 4.340 0.000 0.000 0.208 52 Q C 1.832 177.527 176.000 -0.508 0.000 0.984 52 Q CA 2.611 57.806 55.803 -1.014 0.000 0.875 52 Q CB -0.643 27.785 28.738 -0.517 0.000 0.910 52 Q HN 0.747 nan 8.270 nan 0.000 0.433 53 T N -2.953 111.395 114.554 -0.344 0.000 3.113 53 T HA -0.042 4.308 4.350 0.000 0.000 0.263 53 T C 0.823 175.454 174.700 -0.115 0.000 1.143 53 T CA 0.652 62.651 62.100 -0.168 0.000 1.090 53 T CB -0.171 68.630 68.868 -0.112 0.000 0.922 53 T HN 0.418 nan 8.240 nan 0.000 0.521 54 N N -0.487 118.111 118.700 -0.170 0.000 2.800 54 N HA -0.154 4.587 4.740 0.000 0.000 0.250 54 N C -0.737 174.786 175.510 0.022 0.000 1.078 54 N CA 0.779 53.836 53.050 0.012 0.000 0.804 54 N CB -1.900 36.664 38.487 0.129 0.000 1.135 54 N HN 0.459 nan 8.380 nan 0.000 0.565 55 V N 1.059 120.955 119.914 -0.030 0.000 2.465 55 V HA 0.338 4.458 4.120 0.000 0.000 0.279 55 V C 0.536 176.635 176.094 0.009 0.000 1.045 55 V CA -0.524 61.776 62.300 0.001 0.000 0.938 55 V CB 1.663 33.482 31.823 -0.007 0.000 0.986 55 V HN 0.033 nan 8.190 nan 0.000 0.467 56 K N 4.355 124.777 120.400 0.036 0.000 2.143 56 K HA 0.636 4.956 4.320 0.000 0.000 0.272 56 K C -0.817 175.813 176.600 0.049 0.000 1.001 56 K CA -0.666 55.651 56.287 0.050 0.000 0.915 56 K CB 1.955 34.493 32.500 0.063 0.000 1.047 56 K HN 0.483 nan 8.250 nan 0.000 0.458 57 L N 0.936 122.196 121.223 0.061 0.000 2.406 57 L HA 0.327 4.667 4.340 0.000 0.000 0.272 57 L C -0.878 176.048 176.870 0.093 0.000 0.980 57 L CA -0.024 54.860 54.840 0.073 0.000 0.831 57 L CB 2.180 44.287 42.059 0.079 0.000 1.253 57 L HN 0.520 nan 8.230 nan 0.000 0.406 58 T N 4.330 118.933 114.554 0.083 0.000 2.743 58 T HA 0.400 4.750 4.350 0.000 0.000 0.293 58 T C -0.573 174.168 174.700 0.070 0.000 0.945 58 T CA -0.093 62.059 62.100 0.087 0.000 1.030 58 T CB 0.065 68.971 68.868 0.063 0.000 0.912 58 T HN 0.667 nan 8.240 nan 0.000 0.483 59 C N 5.201 124.545 119.300 0.074 0.000 2.351 59 C HA 0.548 5.008 4.460 0.000 0.000 0.326 59 C C 0.196 175.115 174.990 -0.118 0.000 1.272 59 C CA -1.169 57.851 59.018 0.003 0.000 1.650 59 C CB -0.312 27.474 27.740 0.077 0.000 2.257 59 C HN 0.763 nan 8.230 nan 0.000 0.505 60 L N 4.530 125.633 121.223 -0.200 0.000 2.264 60 L HA 0.536 4.877 4.340 0.000 0.000 0.287 60 L C -0.576 175.943 176.870 -0.586 0.000 1.039 60 L CA -0.110 54.514 54.840 -0.361 0.000 0.829 60 L CB 0.165 42.096 42.059 -0.214 0.000 1.211 60 L HN 0.522 nan 8.230 nan 0.000 0.427 61 L N 3.760 124.518 121.223 -0.775 0.000 2.313 61 L HA 0.581 4.921 4.340 0.000 0.000 0.283 61 L C -0.817 175.515 176.870 -0.897 0.000 1.013 61 L CA -0.316 54.029 54.840 -0.824 0.000 0.816 61 L CB 1.213 42.789 42.059 -0.805 0.000 1.236 61 L HN 0.338 nan 8.230 nan 0.000 0.419 62 F N 1.213 120.966 119.950 -0.328 0.000 2.532 62 F HA 0.703 5.230 4.527 0.001 0.000 0.321 62 F C 0.304 176.005 175.800 -0.165 0.000 1.089 62 F CA -0.586 57.283 58.000 -0.219 0.000 0.926 62 F CB 2.278 41.173 39.000 -0.175 0.000 1.168 62 F HN 0.396 nan 8.300 nan 0.000 0.459 63 S N 0.379 116.139 115.700 0.101 0.000 2.542 63 S HA 0.497 4.967 4.470 0.000 0.000 0.276 63 S C 0.472 175.165 174.600 0.155 0.000 1.148 63 S CA -0.101 58.150 58.200 0.085 0.000 0.886 63 S CB 1.304 64.521 63.200 0.028 0.000 1.109 63 S HN 0.898 nan 8.310 nan 0.000 0.458 64 G N 2.308 111.185 108.800 0.129 0.000 2.484 64 G HA2 0.064 4.024 3.960 0.000 0.000 0.218 64 G HA3 0.064 4.024 3.960 0.000 0.000 0.218 64 G C 0.121 175.175 174.900 0.257 0.000 1.130 64 G CA 0.239 45.432 45.100 0.156 0.000 0.784 64 G HN 0.628 nan 8.290 nan 0.000 0.543 65 N N -1.219 117.595 118.700 0.189 0.000 2.424 65 N HA 0.341 5.081 4.740 0.000 0.000 0.271 65 N C 0.119 175.658 175.510 0.049 0.000 0.985 65 N CA -0.743 52.398 53.050 0.152 0.000 0.921 65 N CB 1.663 40.203 38.487 0.089 0.000 1.149 65 N HN 0.107 nan 8.380 nan 0.000 0.492 66 Y N 2.615 122.741 120.300 -0.291 0.000 2.102 66 Y HA -0.300 4.250 4.550 0.000 0.000 0.280 66 Y C 1.989 177.727 175.900 -0.270 0.000 1.178 66 Y CA 1.870 59.619 58.100 -0.585 0.000 1.146 66 Y CB 0.304 38.281 38.460 -0.806 0.000 0.968 66 Y HN 0.602 nan 8.280 nan 0.000 0.504 67 E N 0.121 120.353 120.200 0.053 0.000 2.418 67 E HA -0.086 4.264 4.350 0.000 0.000 0.197 67 E C 2.020 178.573 176.600 -0.078 0.000 1.026 67 E CA 0.911 57.315 56.400 0.006 0.000 0.862 67 E CB -0.673 29.061 29.700 0.058 0.000 0.799 67 E HN 0.566 nan 8.360 nan 0.000 0.518 68 A N 1.337 124.118 122.820 -0.064 0.000 2.119 68 A HA 0.108 4.428 4.320 0.000 0.000 0.217 68 A C 1.477 179.028 177.584 -0.054 0.000 1.153 68 A CA 0.146 52.160 52.037 -0.038 0.000 0.692 68 A CB -0.303 18.706 19.000 0.014 0.000 0.799 68 A HN 0.161 nan 8.150 nan 0.000 0.458 69 L N -0.081 121.050 121.223 -0.153 0.000 2.439 69 L HA 0.267 4.608 4.340 0.000 0.000 0.261 69 L C -2.264 174.498 176.870 -0.180 0.000 1.153 69 L CA -2.262 52.468 54.840 -0.184 0.000 0.808 69 L CB 0.319 42.187 42.059 -0.318 0.000 1.126 69 L HN -0.023 nan 8.230 nan 0.000 0.460 70 P HA -0.024 nan 4.420 nan 0.000 0.262 70 P C -0.485 176.653 177.300 -0.270 0.000 1.182 70 P CA 0.484 63.508 63.100 -0.126 0.000 0.761 70 P CB 0.182 31.900 31.700 0.030 0.000 0.795 71 I N 4.919 125.288 120.570 -0.335 0.000 2.213 71 I HA 0.154 4.324 4.170 0.000 0.000 0.295 71 I C 0.366 176.073 176.117 -0.683 0.000 1.172 71 I CA 0.048 61.061 61.300 -0.478 0.000 1.443 71 I CB -0.570 37.178 38.000 -0.420 0.000 1.491 71 I HN 0.171 nan 8.210 nan 0.000 0.652 72 I N 3.580 123.757 120.570 -0.655 0.000 2.331 72 I HA 0.121 4.291 4.170 0.000 0.000 0.292 72 I C 0.165 175.852 176.117 -0.716 0.000 0.998 72 I CA -0.308 60.534 61.300 -0.764 0.000 1.267 72 I CB 1.162 38.569 38.000 -0.988 0.000 1.386 72 I HN 0.348 nan 8.210 nan 0.000 0.476 73 Y N 4.914 125.077 120.300 -0.227 0.000 2.498 73 Y HA 0.204 4.754 4.550 0.000 0.000 0.259 73 Y C 0.525 176.566 175.900 0.235 0.000 1.086 73 Y CA -0.381 57.760 58.100 0.069 0.000 1.287 73 Y CB 0.287 38.788 38.460 0.069 0.000 1.146 73 Y HN 0.464 nan 8.280 nan 0.000 0.523 74 K N -1.292 119.197 120.400 0.147 0.000 2.625 74 K HA 0.296 4.616 4.320 0.000 0.000 0.284 74 K C -1.434 175.272 176.600 0.177 0.000 0.984 74 K CA -0.947 55.540 56.287 0.333 0.000 0.865 74 K CB 0.734 33.411 32.500 0.294 0.000 1.468 74 K HN -0.307 nan 8.250 nan 0.000 0.407 75 N N 0.133 119.035 118.700 0.337 0.000 2.395 75 N HA 0.183 4.923 4.740 0.000 0.000 0.246 75 N C 1.068 176.662 175.510 0.141 0.000 1.246 75 N CA 1.938 55.128 53.050 0.234 0.000 0.879 75 N CB 0.788 39.428 38.487 0.255 0.000 1.098 75 N HN 0.988 nan 8.380 nan 0.000 0.444 76 G N 0.730 109.595 108.800 0.108 0.000 2.254 76 G HA2 -0.243 3.718 3.960 0.000 0.000 0.225 76 G HA3 -0.243 3.718 3.960 0.000 0.000 0.225 76 G C -0.121 174.816 174.900 0.063 0.000 1.003 76 G CA -0.081 45.076 45.100 0.094 0.000 0.622 76 G HN 0.586 nan 8.290 nan 0.000 0.507 77 D N 0.607 121.017 120.400 0.017 0.000 2.419 77 D HA 0.441 5.081 4.640 0.000 0.000 0.236 77 D C 0.872 177.171 176.300 -0.002 0.000 1.165 77 D CA 0.399 54.392 54.000 -0.012 0.000 0.882 77 D CB 0.689 41.416 40.800 -0.121 0.000 1.201 77 D HN 0.390 nan 8.370 nan 0.000 0.443 78 I N 1.110 121.709 120.570 0.049 0.000 2.412 78 I HA 0.277 4.447 4.170 0.000 0.000 0.296 78 I C -0.004 176.157 176.117 0.075 0.000 0.987 78 I CA -0.890 60.456 61.300 0.076 0.000 1.180 78 I CB 1.640 39.713 38.000 0.122 0.000 1.340 78 I HN 0.069 nan 8.210 nan 0.000 0.455 79 V N 3.620 123.477 119.914 -0.095 0.000 2.864 79 V HA 0.675 4.795 4.120 0.000 0.000 0.314 79 V C -0.595 175.207 176.094 -0.486 0.000 1.073 79 V CA -0.869 61.248 62.300 -0.305 0.000 0.956 79 V CB 2.001 33.444 31.823 -0.633 0.000 1.023 79 V HN 0.837 nan 8.190 nan 0.000 0.435 80 R N 2.560 122.720 120.500 -0.567 0.000 2.439 80 R HA 0.557 4.897 4.340 0.000 0.000 0.310 80 R C -2.289 173.769 176.300 -0.403 0.000 0.955 80 R CA -0.476 55.120 56.100 -0.841 0.000 0.853 80 R CB 1.526 31.228 30.300 -0.996 0.000 1.171 80 R HN 0.700 nan 8.270 nan 0.000 0.449 81 F N 3.399 123.151 119.950 -0.330 0.000 2.444 81 F HA 0.442 4.970 4.527 0.001 0.000 0.342 81 F C 0.338 176.081 175.800 -0.095 0.000 1.121 81 F CA -0.808 57.040 58.000 -0.253 0.000 0.997 81 F CB 1.431 40.452 39.000 0.034 0.000 1.130 81 F HN 0.459 nan 8.300 nan 0.000 0.454 82 H N 2.109 121.055 119.070 -0.207 0.000 2.492 82 H HA 0.491 5.047 4.556 0.000 0.000 0.345 82 H C -0.219 175.033 175.328 -0.127 0.000 1.136 82 H CA -1.173 54.787 56.048 -0.146 0.000 1.202 82 H CB 1.193 30.832 29.762 -0.205 0.000 1.524 82 H HN 0.480 nan 8.280 nan 0.000 0.506 83 R N 0.882 121.464 120.500 0.137 0.000 3.201 83 R HA -0.193 4.147 4.340 0.000 0.000 0.254 83 R C -1.409 175.050 176.300 0.264 0.000 0.978 83 R CA -0.058 56.134 56.100 0.152 0.000 0.661 83 R CB -1.440 28.938 30.300 0.130 0.000 1.170 83 R HN 0.261 nan 8.270 nan 0.000 0.430 84 L N 0.444 121.820 121.223 0.255 0.000 2.272 84 L HA 0.369 4.710 4.340 0.000 0.000 0.289 84 L C 0.237 177.197 176.870 0.149 0.000 1.032 84 L CA -0.182 54.815 54.840 0.262 0.000 0.810 84 L CB 1.201 43.449 42.059 0.314 0.000 1.205 84 L HN 0.150 nan 8.230 nan 0.000 0.422 85 K N 5.244 125.702 120.400 0.097 0.000 2.205 85 K HA 0.415 4.735 4.320 0.000 0.000 0.279 85 K C -1.009 175.628 176.600 0.063 0.000 1.027 85 K CA -0.651 55.678 56.287 0.069 0.000 0.932 85 K CB 0.723 33.251 32.500 0.047 0.000 1.032 85 K HN 0.543 nan 8.250 nan 0.000 0.466 86 I N 5.094 125.702 120.570 0.062 0.000 2.354 86 I HA 0.204 4.374 4.170 0.000 0.000 0.292 86 I C -0.053 176.096 176.117 0.053 0.000 0.989 86 I CA -0.287 61.050 61.300 0.061 0.000 1.188 86 I CB 1.103 39.141 38.000 0.064 0.000 1.342 86 I HN 0.776 nan 8.210 nan 0.000 0.457 87 Q N 4.877 124.712 119.800 0.057 0.000 2.553 87 Q HA 0.796 5.136 4.340 0.000 0.000 0.293 87 Q C -1.876 174.172 176.000 0.080 0.000 1.038 87 Q CA -0.949 54.891 55.803 0.062 0.000 0.777 87 Q CB 2.505 31.280 28.738 0.061 0.000 1.487 87 Q HN 0.242 nan 8.270 nan 0.000 0.426 88 V N 1.473 121.440 119.914 0.087 0.000 2.483 88 V HA 0.442 4.562 4.120 0.000 0.000 0.295 88 V C -1.534 174.657 176.094 0.162 0.000 1.035 88 V CA -0.599 61.761 62.300 0.099 0.000 0.896 88 V CB 1.164 33.022 31.823 0.058 0.000 0.986 88 V HN 0.737 nan 8.190 nan 0.000 0.447 89 Y N 4.253 124.563 120.300 0.017 0.000 2.333 89 Y HA 0.429 4.979 4.550 0.000 0.000 0.324 89 Y C 0.338 176.245 175.900 0.013 0.000 1.033 89 Y CA -1.289 56.821 58.100 0.016 0.000 1.224 89 Y CB 0.970 39.443 38.460 0.021 0.000 1.120 89 Y HN 0.755 nan 8.280 nan 0.000 0.457 90 K N 5.850 126.038 120.400 -0.353 0.000 3.239 90 K HA -0.320 4.000 4.320 0.000 0.000 0.270 90 K C 0.565 177.104 176.600 -0.102 0.000 1.049 90 K CA 1.010 57.129 56.287 -0.281 0.000 0.769 90 K CB -0.695 31.591 32.500 -0.356 0.000 1.305 90 K HN 0.927 nan 8.250 nan 0.000 0.469 91 K N -0.628 119.737 120.400 -0.058 0.000 3.495 91 K HA -0.240 4.080 4.320 0.000 0.000 0.315 91 K C -0.732 175.874 176.600 0.010 0.000 1.301 91 K CA 1.875 58.151 56.287 -0.018 0.000 0.985 91 K CB -0.196 32.290 32.500 -0.023 0.000 1.244 91 K HN 0.394 nan 8.250 nan 0.000 0.433 92 E N 1.905 122.122 120.200 0.029 0.000 2.134 92 E HA 0.107 4.457 4.350 0.000 0.000 0.278 92 E C -0.203 176.450 176.600 0.087 0.000 0.959 92 E CA 0.074 56.510 56.400 0.060 0.000 0.783 92 E CB 1.552 31.299 29.700 0.079 0.000 1.095 92 E HN 0.325 nan 8.360 nan 0.000 0.399 93 T N 1.289 115.884 114.554 0.068 0.000 2.901 93 T HA 0.276 4.626 4.350 0.000 0.000 0.301 93 T C 0.186 174.933 174.700 0.078 0.000 1.012 93 T CA -0.630 61.513 62.100 0.071 0.000 1.135 93 T CB 0.991 69.893 68.868 0.056 0.000 0.936 93 T HN 0.472 nan 8.240 nan 0.000 0.539 94 Q N 1.725 121.573 119.800 0.079 0.000 2.377 94 Q HA 0.594 4.934 4.340 0.000 0.000 0.279 94 Q C -0.769 175.262 176.000 0.052 0.000 1.049 94 Q CA -1.244 54.598 55.803 0.065 0.000 0.825 94 Q CB 1.793 30.568 28.738 0.061 0.000 1.401 94 Q HN 0.890 nan 8.270 nan 0.000 0.404 95 G N 2.263 111.090 108.800 0.045 0.000 2.400 95 G HA2 0.619 4.579 3.960 0.000 0.000 0.301 95 G HA3 0.619 4.579 3.960 0.000 0.000 0.301 95 G C -1.193 173.689 174.900 -0.030 0.000 1.154 95 G CA -0.651 44.471 45.100 0.037 0.000 0.852 95 G HN 0.688 nan 8.290 nan 0.000 0.511 96 I N 0.427 120.969 120.570 -0.047 0.000 2.894 96 I HA 0.430 4.601 4.170 0.000 0.000 0.302 96 I C 0.406 176.429 176.117 -0.157 0.000 1.188 96 I CA -0.906 60.334 61.300 -0.100 0.000 1.014 96 I CB 2.432 40.427 38.000 -0.008 0.000 1.242 96 I HN 0.665 nan 8.210 nan 0.000 0.430 97 T N 2.241 116.631 114.554 -0.273 0.000 2.940 97 T HA 0.257 4.607 4.350 0.000 0.000 0.309 97 T C -0.058 174.607 174.700 -0.059 0.000 1.056 97 T CA -0.352 61.545 62.100 -0.339 0.000 1.137 97 T CB 1.112 69.730 68.868 -0.417 0.000 0.976 97 T HN 0.500 nan 8.240 nan 0.000 0.547 98 S N 1.009 116.741 115.700 0.054 0.000 2.677 98 S HA 0.573 5.043 4.470 0.000 0.000 0.304 98 S C 0.011 174.676 174.600 0.108 0.000 1.108 98 S CA -0.865 57.383 58.200 0.080 0.000 0.944 98 S CB 1.223 64.482 63.200 0.098 0.000 1.127 98 S HN 0.826 nan 8.310 nan 0.000 0.511 99 S N 1.192 116.938 115.700 0.077 0.000 2.558 99 S HA 0.393 4.863 4.470 0.000 0.000 0.293 99 S C 1.284 175.943 174.600 0.098 0.000 1.292 99 S CA 0.801 59.047 58.200 0.076 0.000 1.063 99 S CB 0.219 63.449 63.200 0.050 0.000 0.831 99 S HN 1.558 nan 8.310 nan 0.000 0.499 100 G N 2.196 111.057 108.800 0.103 0.000 2.162 100 G HA2 -0.293 3.667 3.960 0.000 0.000 0.260 100 G HA3 -0.293 3.667 3.960 0.000 0.000 0.260 100 G C 0.065 175.031 174.900 0.110 0.000 0.976 100 G CA 0.026 45.185 45.100 0.098 0.000 0.655 100 G HN 0.741 nan 8.290 nan 0.000 0.533 101 F N 1.645 121.596 119.950 0.003 0.000 2.635 101 F HA 0.375 4.903 4.527 0.000 0.000 0.379 101 F C 0.480 176.257 175.800 -0.037 0.000 1.094 101 F CA 0.698 58.679 58.000 -0.031 0.000 1.300 101 F CB 0.451 39.392 39.000 -0.100 0.000 1.035 101 F HN 0.802 nan 8.300 nan 0.000 0.581 102 A N 4.334 126.596 122.820 -0.930 0.000 2.549 102 A HA 0.698 5.018 4.320 0.000 0.000 0.297 102 A C -1.021 176.031 177.584 -0.887 0.000 1.061 102 A CA -0.047 51.596 52.037 -0.656 0.000 0.690 102 A CB 1.429 20.274 19.000 -0.259 0.000 1.287 102 A HN 1.170 nan 8.150 nan 0.000 0.402 103 S N 1.081 116.434 115.700 -0.578 0.000 2.569 103 S HA 0.851 5.321 4.470 0.000 0.000 0.280 103 S C -1.173 173.169 174.600 -0.430 0.000 1.111 103 S CA -0.674 57.297 58.200 -0.381 0.000 0.887 103 S CB 1.252 64.419 63.200 -0.056 0.000 1.095 103 S HN 0.777 nan 8.310 nan 0.000 0.476 104 L N 1.861 122.804 121.223 -0.467 0.000 2.362 104 L HA 0.635 4.975 4.340 0.000 0.000 0.275 104 L C -0.553 175.909 176.870 -0.679 0.000 0.998 104 L CA -0.541 53.887 54.840 -0.687 0.000 0.820 104 L CB 2.450 44.069 42.059 -0.733 0.000 1.270 104 L HN 0.786 nan 8.230 nan 0.000 0.415 105 T N 2.153 116.230 114.554 -0.796 0.000 2.863 105 T HA 0.749 5.099 4.350 0.000 0.000 0.285 105 T C -0.828 173.421 174.700 -0.752 0.000 1.009 105 T CA -0.362 61.388 62.100 -0.584 0.000 0.989 105 T CB 1.398 70.018 68.868 -0.414 0.000 1.004 105 T HN 0.171 nan 8.240 nan 0.000 0.455 106 F N 0.023 119.887 119.950 -0.143 0.000 2.629 106 F HA 0.448 4.975 4.527 0.000 0.000 0.316 106 F C 0.513 176.279 175.800 -0.057 0.000 1.081 106 F CA -1.399 56.548 58.000 -0.089 0.000 0.954 106 F CB 1.327 40.290 39.000 -0.062 0.000 1.337 106 F HN 0.411 nan 8.300 nan 0.000 0.474 107 E N 0.123 120.433 120.200 0.184 0.000 2.392 107 E HA 0.250 4.600 4.350 0.000 0.000 0.264 107 E C 0.534 177.190 176.600 0.093 0.000 1.024 107 E CA 0.141 56.606 56.400 0.109 0.000 0.903 107 E CB 0.833 30.585 29.700 0.086 0.000 0.963 107 E HN 0.884 nan 8.360 nan 0.000 0.432 108 G N 2.077 110.919 108.800 0.071 0.000 3.126 108 G HA2 -0.040 3.920 3.960 0.000 0.000 0.224 108 G HA3 -0.040 3.920 3.960 0.000 0.000 0.224 108 G C 0.357 175.284 174.900 0.045 0.000 1.142 108 G CA -0.128 45.007 45.100 0.059 0.000 0.759 108 G HN 0.518 nan 8.290 nan 0.000 0.550 109 T N -0.316 114.261 114.554 0.038 0.000 2.889 109 T HA 0.588 4.938 4.350 0.000 0.000 0.291 109 T C 0.338 175.047 174.700 0.014 0.000 0.995 109 T CA -0.740 61.376 62.100 0.026 0.000 1.092 109 T CB 1.933 70.817 68.868 0.026 0.000 0.954 109 T HN -0.029 nan 8.240 nan 0.000 0.506 110 L N 2.832 124.060 121.223 0.007 0.000 2.540 110 L HA 0.324 4.664 4.340 0.000 0.000 0.276 110 L C 1.751 178.622 176.870 0.001 0.000 1.212 110 L CA 1.033 55.873 54.840 0.000 0.000 0.893 110 L CB -0.198 41.859 42.059 -0.002 0.000 1.138 110 L HN 1.218 nan 8.230 nan 0.000 0.491 111 G N 2.034 110.833 108.800 -0.001 0.000 2.205 111 G HA2 -0.285 3.675 3.960 0.000 0.000 0.261 111 G HA3 -0.285 3.675 3.960 0.000 0.000 0.261 111 G C 0.444 175.351 174.900 0.011 0.000 0.980 111 G CA 0.083 45.187 45.100 0.005 0.000 0.632 111 G HN 0.985 nan 8.290 nan 0.000 0.533 112 A N 0.694 123.521 122.820 0.012 0.000 2.386 112 A HA 0.664 4.984 4.320 0.000 0.000 0.248 112 A C -1.193 176.408 177.584 0.029 0.000 1.082 112 A CA -0.453 51.597 52.037 0.022 0.000 0.789 112 A CB 0.073 19.090 19.000 0.029 0.000 1.025 112 A HN 0.226 nan 8.150 nan 0.000 0.490 113 P HA 0.170 nan 4.420 nan 0.000 0.267 113 P C -0.782 176.563 177.300 0.075 0.000 1.200 113 P CA 0.344 63.481 63.100 0.063 0.000 0.772 113 P CB 0.320 32.059 31.700 0.065 0.000 0.855 114 I N 3.840 124.462 120.570 0.087 0.000 2.361 114 I HA 0.296 4.466 4.170 0.000 0.000 0.282 114 I C -0.129 176.140 176.117 0.252 0.000 1.075 114 I CA -0.059 61.303 61.300 0.103 0.000 1.205 114 I CB 0.044 37.919 38.000 -0.207 0.000 1.406 114 I HN 0.125 nan 8.210 nan 0.000 0.481 115 I N 8.375 129.094 120.570 0.249 0.000 2.437 115 I HA 0.301 4.471 4.170 0.000 0.000 0.279 115 I C -2.196 173.888 176.117 -0.056 0.000 1.028 115 I CA -1.943 59.431 61.300 0.124 0.000 1.142 115 I CB 1.717 39.757 38.000 0.066 0.000 1.266 115 I HN 0.262 nan 8.210 nan 0.000 0.461 116 P HA 0.131 nan 4.420 nan 0.000 0.267 116 P C -0.876 176.043 177.300 -0.636 0.000 1.209 116 P CA -0.108 62.475 63.100 -0.862 0.000 0.763 116 P CB 0.619 31.729 31.700 -0.983 0.000 0.816 117 R N 1.774 121.871 120.500 -0.672 0.000 2.338 117 R HA 0.704 5.044 4.340 0.000 0.000 0.317 117 R C 0.212 176.206 176.300 -0.511 0.000 0.968 117 R CA -0.461 55.372 56.100 -0.446 0.000 0.849 117 R CB 1.709 31.812 30.300 -0.328 0.000 1.128 117 R HN 0.479 nan 8.270 nan 0.000 0.448 118 T N -0.531 113.771 114.554 -0.421 0.000 2.827 118 T HA 0.071 4.422 4.350 0.000 0.000 0.328 118 T C 0.334 174.887 174.700 -0.245 0.000 1.598 118 T CA -0.488 61.372 62.100 -0.401 0.000 1.043 118 T CB 1.306 69.803 68.868 -0.619 0.000 1.447 118 T HN 0.545 nan 8.240 nan 0.000 0.491 119 S N 0.966 116.561 115.700 -0.176 0.000 2.535 119 S HA 0.262 4.732 4.470 0.000 0.000 0.214 119 S C 0.743 175.313 174.600 -0.051 0.000 0.980 119 S CA -0.181 57.967 58.200 -0.088 0.000 0.907 119 S CB 0.034 63.200 63.200 -0.057 0.000 0.790 119 S HN 0.573 nan 8.310 nan 0.000 0.510 120 S N 2.333 117.992 115.700 -0.069 0.000 2.537 120 S HA 0.192 4.662 4.470 0.000 0.000 0.286 120 S C 0.981 175.641 174.600 0.099 0.000 1.299 120 S CA -0.401 57.819 58.200 0.033 0.000 1.067 120 S CB 1.288 64.516 63.200 0.047 0.000 0.864 120 S HN 0.550 nan 8.310 nan 0.000 0.494 121 K N 2.351 122.791 120.400 0.065 0.000 2.116 121 K HA -0.011 4.310 4.320 0.000 0.000 0.203 121 K C -0.676 175.760 176.600 -0.273 0.000 1.052 121 K CA 1.049 57.262 56.287 -0.124 0.000 0.952 121 K CB 0.084 32.465 32.500 -0.200 0.000 0.729 121 K HN 0.647 nan 8.250 nan 0.000 0.446 122 Y N 0.281 120.661 120.300 0.134 0.000 2.364 122 Y HA 0.350 4.900 4.550 0.000 0.000 0.340 122 Y C -0.687 175.335 175.900 0.202 0.000 0.975 122 Y CA -1.316 56.833 58.100 0.082 0.000 1.089 122 Y CB 1.444 39.937 38.460 0.055 0.000 1.192 122 Y HN 0.012 nan 8.280 nan 0.000 0.454 123 F N 0.474 120.526 119.950 0.170 0.000 2.665 123 F HA 0.409 4.936 4.527 0.000 0.000 0.308 123 F C -1.395 174.517 175.800 0.186 0.000 1.112 123 F CA -1.362 56.717 58.000 0.132 0.000 0.972 123 F CB 1.229 40.236 39.000 0.011 0.000 1.295 123 F HN 0.390 nan 8.300 nan 0.000 0.440 124 N N 2.228 121.168 118.700 0.400 0.000 2.497 124 N HA 0.275 5.015 4.740 0.000 0.000 0.268 124 N C -1.944 173.896 175.510 0.550 0.000 1.171 124 N CA 0.259 53.539 53.050 0.384 0.000 0.948 124 N CB 0.838 39.597 38.487 0.454 0.000 1.069 124 N HN 0.695 nan 8.380 nan 0.000 0.460 125 F N 2.672 122.766 119.950 0.241 0.000 2.915 125 F HA 0.237 4.764 4.527 0.000 0.000 0.350 125 F C -0.401 175.525 175.800 0.209 0.000 1.248 125 F CA -0.464 57.713 58.000 0.295 0.000 1.084 125 F CB 0.710 39.925 39.000 0.359 0.000 1.391 125 F HN 0.457 nan 8.300 nan 0.000 0.548 126 T N 0.092 114.591 114.554 -0.091 0.000 2.807 126 T HA 0.276 4.627 4.350 0.000 0.000 0.277 126 T C 0.894 175.428 174.700 -0.277 0.000 1.006 126 T CA 0.198 62.209 62.100 -0.148 0.000 1.006 126 T CB 1.424 70.311 68.868 0.031 0.000 1.274 126 T HN 0.452 nan 8.240 nan 0.000 0.569 127 T N -0.901 113.544 114.554 -0.182 0.000 2.867 127 T HA -0.105 4.245 4.350 0.000 0.000 0.268 127 T C 1.656 176.299 174.700 -0.094 0.000 1.057 127 T CA 2.038 64.032 62.100 -0.177 0.000 1.136 127 T CB -0.702 68.088 68.868 -0.129 0.000 0.874 127 T HN 0.720 nan 8.240 nan 0.000 0.466 128 E N 1.111 121.283 120.200 -0.047 0.000 2.153 128 E HA -0.117 4.233 4.350 0.000 0.000 0.194 128 E C 1.912 178.467 176.600 -0.074 0.000 0.988 128 E CA 1.545 57.933 56.400 -0.019 0.000 0.811 128 E CB -0.396 29.349 29.700 0.074 0.000 0.746 128 E HN 0.563 nan 8.360 nan 0.000 0.466 129 D N -0.943 119.429 120.400 -0.046 0.000 2.117 129 D HA -0.142 4.499 4.640 0.000 0.000 0.198 129 D C 1.658 177.848 176.300 -0.184 0.000 0.982 129 D CA 1.051 55.025 54.000 -0.044 0.000 0.828 129 D CB -0.278 40.647 40.800 0.208 0.000 0.967 129 D HN 0.342 nan 8.370 nan 0.000 0.464 130 H N 1.373 120.278 119.070 -0.276 0.000 2.319 130 H HA -0.035 4.521 4.556 0.000 0.000 0.299 130 H C 2.064 177.247 175.328 -0.242 0.000 1.092 130 H CA 1.431 57.334 56.048 -0.242 0.000 1.302 130 H CB 0.180 29.821 29.762 -0.201 0.000 1.373 130 H HN 0.045 nan 8.280 nan 0.000 0.497 131 K N -0.497 119.846 120.400 -0.094 0.000 2.057 131 K HA -0.138 4.182 4.320 0.000 0.000 0.207 131 K C 2.145 178.597 176.600 -0.247 0.000 1.049 131 K CA 1.358 57.565 56.287 -0.134 0.000 0.931 131 K CB -0.005 32.435 32.500 -0.099 0.000 0.714 131 K HN 0.227 nan 8.250 nan 0.000 0.440 132 M N 0.682 120.046 119.600 -0.394 0.000 2.117 132 M HA -0.142 4.338 4.480 0.000 0.000 0.262 132 M C 2.373 178.290 176.300 -0.639 0.000 1.065 132 M CA 1.398 56.311 55.300 -0.646 0.000 1.114 132 M CB -0.734 31.126 32.600 -1.233 0.000 1.361 132 M HN -0.031 nan 8.290 nan 0.000 0.408 133 V N 0.555 120.097 119.914 -0.621 0.000 2.295 133 V HA -0.251 3.869 4.120 0.000 0.000 0.246 133 V C 2.224 178.139 176.094 -0.298 0.000 1.049 133 V CA 1.796 63.798 62.300 -0.497 0.000 1.024 133 V CB -0.768 30.638 31.823 -0.696 0.000 0.648 133 V HN 0.486 nan 8.190 nan 0.000 0.447 134 E N 0.412 120.458 120.200 -0.256 0.000 2.118 134 E HA -0.221 4.129 4.350 0.000 0.000 0.195 134 E C 2.290 178.835 176.600 -0.093 0.000 0.992 134 E CA 1.334 57.648 56.400 -0.143 0.000 0.804 134 E CB -0.358 29.278 29.700 -0.106 0.000 0.741 134 E HN 0.609 nan 8.360 nan 0.000 0.458 135 A N 1.167 123.913 122.820 -0.122 0.000 1.933 135 A HA -0.136 4.184 4.320 0.000 0.000 0.218 135 A C 2.173 179.753 177.584 -0.006 0.000 1.175 135 A CA 0.981 52.977 52.037 -0.068 0.000 0.628 135 A CB -0.483 18.447 19.000 -0.116 0.000 0.814 135 A HN 0.136 nan 8.150 nan 0.000 0.444 136 L N -1.374 119.816 121.223 -0.055 0.000 2.156 136 L HA -0.102 4.238 4.340 0.000 0.000 0.208 136 L C 2.826 179.790 176.870 0.156 0.000 1.095 136 L CA 0.925 55.793 54.840 0.048 0.000 0.770 136 L CB -0.344 41.695 42.059 -0.032 0.000 0.914 136 L HN 0.356 nan 8.230 nan 0.000 0.439 137 R N -0.789 119.745 120.500 0.056 0.000 2.092 137 R HA -0.105 4.235 4.340 0.000 0.000 0.231 137 R C 2.220 178.566 176.300 0.077 0.000 1.119 137 R CA 1.020 57.155 56.100 0.058 0.000 0.970 137 R CB -0.358 29.942 30.300 0.000 0.000 0.864 137 R HN 0.158 nan 8.270 nan 0.000 0.440 138 V N -0.170 119.791 119.914 0.079 0.000 2.343 138 V HA -0.244 3.876 4.120 0.000 0.000 0.247 138 V C 1.868 178.043 176.094 0.136 0.000 1.051 138 V CA 1.734 64.081 62.300 0.078 0.000 1.036 138 V CB -0.499 31.366 31.823 0.069 0.000 0.654 138 V HN 0.490 nan 8.190 nan 0.000 0.451 139 W N 1.103 122.429 121.300 0.042 0.000 2.355 139 W HA -0.171 4.489 4.660 0.000 0.000 0.309 139 W C 2.427 179.033 176.519 0.144 0.000 1.206 139 W CA 2.059 59.485 57.345 0.136 0.000 1.284 139 W CB -0.354 29.156 29.460 0.084 0.000 1.145 139 W HN 0.174 nan 8.180 nan 0.000 0.502 140 A N 0.336 123.258 122.820 0.169 0.000 1.933 140 A HA -0.220 4.100 4.320 0.000 0.000 0.218 140 A C 2.104 179.588 177.584 -0.167 0.000 1.175 140 A CA 2.550 54.543 52.037 -0.074 0.000 0.628 140 A CB -1.574 17.526 19.000 0.167 0.000 0.814 140 A HN 0.435 nan 8.150 nan 0.000 0.444 141 S N -1.541 114.106 115.700 -0.089 0.000 2.420 141 S HA -0.171 4.300 4.470 0.000 0.000 0.237 141 S C 1.689 176.186 174.600 -0.172 0.000 1.023 141 S CA 2.206 60.349 58.200 -0.095 0.000 0.991 141 S CB -0.637 62.531 63.200 -0.054 0.000 0.792 141 S HN 0.654 nan 8.310 nan 0.000 0.488 142 T N -0.562 113.819 114.554 -0.288 0.000 3.028 142 T HA 0.195 4.545 4.350 0.000 0.000 0.250 142 T C 0.723 175.043 174.700 -0.634 0.000 0.979 142 T CA -0.090 61.763 62.100 -0.412 0.000 1.004 142 T CB -0.254 68.357 68.868 -0.428 0.000 1.120 142 T HN 0.565 nan 8.240 nan 0.000 0.482 143 H N 1.353 119.951 119.070 -0.786 0.000 2.592 143 H HA 0.506 5.062 4.556 0.000 0.000 0.291 143 H C 0.422 175.302 175.328 -0.747 0.000 1.052 143 H CA 0.302 55.806 56.048 -0.907 0.000 1.175 143 H CB 0.029 28.862 29.762 -1.549 0.000 1.378 143 H HN 0.231 nan 8.280 nan 0.000 0.576 144 M N 0.318 119.669 119.600 -0.414 0.000 5.377 144 M HA 0.093 4.573 4.480 0.000 0.000 0.625 144 M C -1.528 174.715 176.300 -0.095 0.000 2.233 144 M CA 0.145 55.323 55.300 -0.204 0.000 0.330 144 M CB -0.535 31.958 32.600 -0.178 0.000 3.150 144 M HN 0.260 nan 8.290 nan 0.000 0.680 150 L N 3.602 124.861 121.223 0.059 0.000 2.491 150 L HA 0.669 5.010 4.340 0.000 0.000 0.267 150 L C -1.188 175.724 176.870 0.070 0.000 0.971 150 L CA -1.047 53.835 54.840 0.069 0.000 0.857 150 L CB 1.190 43.271 42.059 0.037 0.000 1.226 150 L HN 0.487 nan 8.230 nan 0.000 0.408 151 L N 5.479 126.772 121.223 0.115 0.000 2.360 151 L HA 0.318 4.658 4.340 0.000 0.000 0.276 151 L C -0.123 176.801 176.870 0.090 0.000 1.121 151 L CA 0.416 55.311 54.840 0.091 0.000 0.845 151 L CB 0.261 42.383 42.059 0.104 0.000 1.143 151 L HN 0.469 nan 8.230 nan 0.000 0.452 152 K N 4.604 125.021 120.400 0.027 0.000 2.098 152 K HA 0.220 4.540 4.320 0.000 0.000 0.257 152 K C 1.118 177.723 176.600 0.008 0.000 0.999 152 K CA -0.459 55.840 56.287 0.021 0.000 0.924 152 K CB 1.205 33.700 32.500 -0.008 0.000 1.028 152 K HN 0.662 nan 8.250 nan 0.000 0.466 153 L N 0.872 122.117 121.223 0.038 0.000 2.127 153 L HA -0.258 4.082 4.340 0.000 0.000 0.211 153 L C 2.362 179.242 176.870 0.016 0.000 1.089 153 L CA 1.357 56.227 54.840 0.049 0.000 0.757 153 L CB -0.513 41.585 42.059 0.065 0.000 0.899 153 L HN 0.746 nan 8.230 nan 0.000 0.434 154 C N -2.113 117.186 119.300 -0.002 0.000 2.430 154 C HA -0.065 4.395 4.460 0.000 0.000 0.288 154 C C 1.573 176.534 174.990 -0.048 0.000 1.448 154 C CA 0.008 59.013 59.018 -0.021 0.000 1.784 154 C CB -0.978 26.748 27.740 -0.023 0.000 1.776 154 C HN 0.463 nan 8.230 nan 0.000 0.547 155 D N 1.194 121.557 120.400 -0.061 0.000 2.398 155 D HA 0.152 4.792 4.640 0.000 0.000 0.210 155 D C 1.012 177.235 176.300 -0.128 0.000 1.094 155 D CA 0.273 54.225 54.000 -0.081 0.000 0.839 155 D CB 0.769 41.531 40.800 -0.064 0.000 0.963 155 D HN 0.585 nan 8.370 nan 0.000 0.506 156 V N -0.359 119.450 119.914 -0.176 0.000 2.843 156 V HA 0.149 4.269 4.120 0.000 0.000 0.305 156 V C 0.188 176.193 176.094 -0.148 0.000 1.065 156 V CA -0.452 61.676 62.300 -0.287 0.000 1.116 156 V CB 0.687 32.294 31.823 -0.359 0.000 0.968 156 V HN -0.111 nan 8.190 nan 0.000 0.487 157 Q N 3.421 123.130 119.800 -0.152 0.000 2.204 157 Q HA 0.390 4.730 4.340 0.000 0.000 0.254 157 Q C -1.805 174.144 176.000 -0.085 0.000 0.981 157 Q CA -1.726 54.035 55.803 -0.071 0.000 0.897 157 Q CB 1.363 30.065 28.738 -0.059 0.000 1.273 157 Q HN 0.502 nan 8.270 nan 0.000 0.464 158 P HA -0.217 nan 4.420 nan 0.000 0.218 158 P C -0.179 176.984 177.300 -0.228 0.000 1.154 158 P CA 1.673 64.698 63.100 -0.125 0.000 0.872 158 P CB 0.254 31.895 31.700 -0.098 0.000 0.790 159 M N -0.764 118.725 119.600 -0.185 0.000 2.150 159 M HA 0.226 4.707 4.480 0.000 0.000 0.255 159 M C -1.490 174.729 176.300 -0.136 0.000 0.963 159 M CA -0.339 54.820 55.300 -0.235 0.000 1.033 159 M CB 1.070 33.561 32.600 -0.181 0.000 2.007 159 M HN -0.154 nan 8.290 nan 0.000 0.462 160 Q N 2.108 121.815 119.800 -0.155 0.000 2.630 160 Q HA 0.496 4.836 4.340 0.000 0.000 0.295 160 Q C -1.974 174.058 176.000 0.054 0.000 0.944 160 Q CA -0.993 54.806 55.803 -0.006 0.000 0.766 160 Q CB 1.668 30.425 28.738 0.033 0.000 1.471 160 Q HN 0.558 nan 8.270 nan 0.000 0.416 161 Y N 0.824 121.307 120.300 0.306 0.000 2.387 161 Y HA 0.758 5.308 4.550 0.000 0.000 0.336 161 Y C -0.445 175.704 175.900 0.416 0.000 1.067 161 Y CA -0.408 57.893 58.100 0.334 0.000 1.114 161 Y CB 1.658 40.198 38.460 0.133 0.000 1.208 161 Y HN 0.673 nan 8.280 nan 0.000 0.458 162 F N -0.901 119.215 119.950 0.278 0.000 2.741 162 F HA 0.584 5.111 4.527 0.000 0.000 0.311 162 F C -1.850 174.055 175.800 0.176 0.000 1.149 162 F CA -1.358 56.762 58.000 0.201 0.000 0.930 162 F CB 1.370 40.460 39.000 0.150 0.000 1.312 162 F HN 0.178 nan 8.300 nan 0.000 0.450 163 D N 2.824 123.255 120.400 0.051 0.000 2.274 163 D HA 0.403 5.043 4.640 0.000 0.000 0.239 163 D C -1.113 175.064 176.300 -0.204 0.000 1.104 163 D CA -0.026 53.884 54.000 -0.150 0.000 0.840 163 D CB 2.188 42.998 40.800 0.016 0.000 1.100 163 D HN 0.604 nan 8.370 nan 0.000 0.477 164 L N 2.295 123.272 121.223 -0.410 0.000 2.280 164 L HA 0.337 4.677 4.340 0.000 0.000 0.287 164 L C -0.335 176.450 176.870 -0.142 0.000 1.023 164 L CA -0.124 54.593 54.840 -0.205 0.000 0.819 164 L CB 1.452 43.341 42.059 -0.283 0.000 1.212 164 L HN 0.151 nan 8.230 nan 0.000 0.420 165 T N 5.301 119.823 114.554 -0.054 0.000 2.771 165 T HA 0.580 4.930 4.350 0.000 0.000 0.291 165 T C -0.165 174.521 174.700 -0.024 0.000 0.954 165 T CA -0.115 61.952 62.100 -0.055 0.000 1.045 165 T CB 0.049 68.888 68.868 -0.050 0.000 0.917 165 T HN 0.886 nan 8.240 nan 0.000 0.484 166 C N 2.406 121.709 119.300 0.006 0.000 3.293 166 C HA 0.763 5.223 4.460 0.000 0.000 0.362 166 C C -1.265 173.802 174.990 0.128 0.000 1.539 166 C CA -1.205 57.831 59.018 0.031 0.000 1.201 166 C CB 1.449 29.197 27.740 0.014 0.000 1.770 166 C HN 0.799 nan 8.230 nan 0.000 0.440 167 Q N 0.531 120.411 119.800 0.134 0.000 2.337 167 Q HA 0.668 5.008 4.340 0.000 0.000 0.266 167 Q C -1.530 174.546 176.000 0.126 0.000 1.023 167 Q CA -0.617 55.248 55.803 0.104 0.000 0.829 167 Q CB 1.797 30.638 28.738 0.172 0.000 1.306 167 Q HN 0.802 nan 8.270 nan 0.000 0.449 168 L N 5.091 126.303 121.223 -0.019 0.000 2.313 168 L HA 0.217 4.557 4.340 0.000 0.000 0.282 168 L C -0.537 176.321 176.870 -0.019 0.000 1.092 168 L CA 0.589 55.424 54.840 -0.009 0.000 0.831 168 L CB 0.615 42.650 42.059 -0.040 0.000 1.159 168 L HN 0.938 nan 8.230 nan 0.000 0.442 169 L N 4.318 125.519 121.223 -0.037 0.000 2.500 169 L HA 0.482 4.822 4.340 0.000 0.000 0.219 169 L C 0.909 177.724 176.870 -0.091 0.000 1.057 169 L CA 0.338 55.116 54.840 -0.104 0.000 0.854 169 L CB 0.166 42.062 42.059 -0.271 0.000 1.078 169 L HN 0.780 nan 8.230 nan 0.000 0.480 170 G N -0.031 108.723 108.800 -0.076 0.000 2.718 170 G HA2 0.519 4.479 3.960 0.000 0.000 0.295 170 G HA3 0.519 4.479 3.960 0.000 0.000 0.295 170 G C -1.531 173.346 174.900 -0.039 0.000 1.421 170 G CA -0.423 44.637 45.100 -0.067 0.000 0.902 170 G HN -0.233 nan 8.290 nan 0.000 0.501 171 K N -0.363 120.022 120.400 -0.024 0.000 2.375 171 K HA 0.795 5.115 4.320 0.000 0.000 0.249 171 K C -1.087 175.404 176.600 -0.182 0.000 0.942 171 K CA -0.922 55.374 56.287 0.014 0.000 0.806 171 K CB 2.845 35.490 32.500 0.242 0.000 1.227 171 K HN 0.870 nan 8.250 nan 0.000 0.430 172 A N 2.267 124.740 122.820 -0.578 0.000 2.480 172 A HA 0.296 4.616 4.320 0.000 0.000 0.289 172 A C -0.804 176.164 177.584 -1.027 0.000 1.044 172 A CA -0.815 50.865 52.037 -0.595 0.000 0.761 172 A CB 0.971 19.743 19.000 -0.380 0.000 1.289 172 A HN 0.584 nan 8.150 nan 0.000 0.401 173 E N 1.072 120.905 120.200 -0.611 0.000 2.418 173 E HA 0.276 4.626 4.350 0.000 0.000 0.261 173 E C 0.402 176.822 176.600 -0.301 0.000 1.070 173 E CA 0.105 56.280 56.400 -0.375 0.000 0.931 173 E CB 1.383 31.066 29.700 -0.028 0.000 0.954 173 E HN 0.437 nan 8.360 nan 0.000 0.439 174 V N 0.514 120.321 119.914 -0.178 0.000 3.449 174 V HA -0.034 4.086 4.120 0.000 0.000 0.208 174 V C 0.239 176.305 176.094 -0.048 0.000 1.269 174 V CA 0.856 63.074 62.300 -0.137 0.000 1.301 174 V CB 0.185 31.911 31.823 -0.161 0.000 1.306 174 V HN 0.700 nan 8.190 nan 0.000 0.531 175 D N -1.073 119.329 120.400 0.003 0.000 2.881 175 D HA 0.311 4.951 4.640 0.000 0.000 0.325 175 D C 1.119 177.460 176.300 0.069 0.000 1.621 175 D CA 0.668 54.689 54.000 0.035 0.000 0.785 175 D CB 0.343 41.168 40.800 0.042 0.000 1.233 175 D HN 0.584 nan 8.370 nan 0.000 0.447 176 G N 0.793 109.647 108.800 0.090 0.000 2.674 176 G HA2 -0.424 3.536 3.960 0.000 0.000 0.236 176 G HA3 -0.424 3.536 3.960 0.000 0.000 0.236 176 G C 1.386 176.364 174.900 0.130 0.000 1.178 176 G CA 0.638 45.805 45.100 0.111 0.000 0.721 176 G HN 1.096 nan 8.290 nan 0.000 0.515 177 A N 0.035 122.934 122.820 0.131 0.000 2.123 177 A HA 0.601 4.921 4.320 0.000 0.000 0.214 177 A C 1.416 179.123 177.584 0.204 0.000 1.152 177 A CA 2.141 54.281 52.037 0.172 0.000 0.728 177 A CB -0.223 18.887 19.000 0.183 0.000 0.814 177 A HN 2.086 nan 8.150 nan 0.000 0.464 178 S N -2.370 113.408 115.700 0.131 0.000 2.588 178 S HA 0.766 5.236 4.470 0.000 0.000 0.275 178 S C -1.100 173.546 174.600 0.076 0.000 1.130 178 S CA -0.709 57.495 58.200 0.006 0.000 0.855 178 S CB 1.528 64.613 63.200 -0.192 0.000 1.116 178 S HN 0.508 nan 8.310 nan 0.000 0.472 179 F N 0.799 120.661 119.950 -0.146 0.000 2.591 179 F HA 0.692 5.219 4.527 -0.000 0.000 0.309 179 F C -1.683 174.037 175.800 -0.134 0.000 1.098 179 F CA -0.976 56.964 58.000 -0.101 0.000 0.937 179 F CB 1.744 40.717 39.000 -0.045 0.000 1.250 179 F HN 0.770 nan 8.300 nan 0.000 0.447 180 L N 6.240 127.130 121.223 -0.554 0.000 2.275 180 L HA 0.629 4.969 4.340 0.000 0.000 0.288 180 L C -1.695 175.064 176.870 -0.185 0.000 1.046 180 L CA -0.217 54.420 54.840 -0.338 0.000 0.805 180 L CB 1.021 42.841 42.059 -0.399 0.000 1.193 180 L HN 0.563 nan 8.230 nan 0.000 0.426 181 L N 5.705 126.907 121.223 -0.035 0.000 2.325 181 L HA 0.515 4.855 4.340 0.000 0.000 0.281 181 L C -0.350 176.492 176.870 -0.047 0.000 1.004 181 L CA -0.688 54.162 54.840 0.017 0.000 0.823 181 L CB 1.503 43.601 42.059 0.065 0.000 1.236 181 L HN 0.578 nan 8.230 nan 0.000 0.415 182 K N 3.844 124.205 120.400 -0.065 0.000 2.240 182 K HA 0.600 4.920 4.320 0.000 0.000 0.271 182 K C -0.604 175.961 176.600 -0.058 0.000 1.018 182 K CA -0.453 55.781 56.287 -0.088 0.000 0.874 182 K CB 2.128 34.553 32.500 -0.125 0.000 1.098 182 K HN 0.433 nan 8.250 nan 0.000 0.458 183 V N -0.445 119.449 119.914 -0.034 0.000 3.156 183 V HA 0.753 4.874 4.120 0.000 0.000 0.311 183 V C -1.532 174.664 176.094 0.170 0.000 1.208 183 V CA -0.830 61.505 62.300 0.059 0.000 1.063 183 V CB 1.990 33.829 31.823 0.027 0.000 1.098 183 V HN 0.969 nan 8.190 nan 0.000 0.452 184 W N 1.799 123.048 121.300 -0.085 0.000 3.059 184 W HA 0.705 5.365 4.660 0.000 0.000 0.329 184 W C -1.478 175.029 176.519 -0.020 0.000 1.246 184 W CA -0.267 57.036 57.345 -0.069 0.000 1.190 184 W CB 0.965 30.378 29.460 -0.079 0.000 1.423 184 W HN 0.758 nan 8.180 nan 0.000 0.571 185 D N -1.013 119.313 120.400 -0.124 0.000 2.538 185 D HA 0.269 4.909 4.640 0.000 0.000 0.241 185 D C 1.361 177.432 176.300 -0.382 0.000 1.297 185 D CA 0.298 54.123 54.000 -0.291 0.000 0.804 185 D CB 0.141 40.880 40.800 -0.103 0.000 1.122 185 D HN 1.305 nan 8.370 nan 0.000 0.519 186 G N 0.219 108.782 108.800 -0.396 0.000 2.176 186 G HA2 -0.190 3.770 3.960 0.000 0.000 0.232 186 G HA3 -0.190 3.770 3.960 0.000 0.000 0.232 186 G C 0.362 175.229 174.900 -0.054 0.000 0.986 186 G CA 0.430 45.356 45.100 -0.289 0.000 0.643 186 G HN 0.954 nan 8.290 nan 0.000 0.522 187 T N -2.090 112.457 114.554 -0.013 0.000 2.916 187 T HA 0.774 5.124 4.350 0.000 0.000 0.292 187 T C -0.280 174.449 174.700 0.047 0.000 1.055 187 T CA -0.814 61.294 62.100 0.014 0.000 1.009 187 T CB 2.303 71.165 68.868 -0.009 0.000 1.118 187 T HN 0.390 nan 8.240 nan 0.000 0.497 188 R N 1.481 122.004 120.500 0.038 0.000 2.407 188 R HA 0.534 4.874 4.340 0.000 0.000 0.303 188 R C 0.463 176.784 176.300 0.035 0.000 0.981 188 R CA -0.731 55.396 56.100 0.045 0.000 0.905 188 R CB 1.412 31.731 30.300 0.033 0.000 1.099 188 R HN 0.943 nan 8.270 nan 0.000 0.459 189 T N -0.100 114.498 114.554 0.073 0.000 2.855 189 T HA 0.065 4.415 4.350 0.000 0.000 0.314 189 T C -1.241 173.462 174.700 0.005 0.000 1.077 189 T CA -1.198 60.959 62.100 0.095 0.000 1.095 189 T CB 0.570 69.582 68.868 0.241 0.000 0.987 189 T HN 0.404 nan 8.240 nan 0.000 0.546 190 P HA 0.071 nan 4.420 nan 0.000 0.221 190 P C -0.228 176.747 177.300 -0.541 0.000 1.150 190 P CA 0.798 63.692 63.100 -0.343 0.000 0.800 190 P CB 0.032 31.458 31.700 -0.457 0.000 0.787 191 F N -0.282 119.680 119.950 0.020 0.000 2.577 191 F HA 0.505 5.032 4.527 0.000 0.000 0.318 191 F C -2.301 173.534 175.800 0.058 0.000 1.065 191 F CA -3.188 54.824 58.000 0.020 0.000 0.929 191 F CB 0.596 39.592 39.000 -0.008 0.000 1.237 191 F HN -0.379 nan 8.300 nan 0.000 0.468 192 P HA 0.048 nan 4.420 nan 0.000 0.268 192 P C -0.357 177.088 177.300 0.241 0.000 1.205 192 P CA -0.147 63.066 63.100 0.188 0.000 0.771 192 P CB 0.835 32.616 31.700 0.136 0.000 0.858 193 S N 3.480 119.342 115.700 0.270 0.000 2.568 193 S HA 0.191 4.661 4.470 0.000 0.000 0.282 193 S C 0.002 174.840 174.600 0.396 0.000 1.338 193 S CA -0.786 57.659 58.200 0.409 0.000 1.045 193 S CB -0.102 63.321 63.200 0.372 0.000 0.873 193 S HN 0.403 nan 8.310 nan 0.000 0.516 194 W N 4.153 125.519 121.300 0.110 0.000 2.034 194 W HA 0.548 5.208 4.660 0.000 0.000 0.357 194 W C -0.402 176.136 176.519 0.031 0.000 1.326 194 W CA -1.037 56.335 57.345 0.045 0.000 1.318 194 W CB -0.323 29.149 29.460 0.020 0.000 1.193 194 W HN 0.438 nan 8.180 nan 0.000 0.620 195 R N 1.706 122.182 120.500 -0.039 0.000 2.473 195 R HA 0.362 4.702 4.340 0.000 0.000 0.303 195 R C -0.931 175.145 176.300 -0.373 0.000 1.002 195 R CA -1.230 54.727 56.100 -0.239 0.000 0.884 195 R CB 1.225 31.460 30.300 -0.108 0.000 1.173 195 R HN 0.373 nan 8.270 nan 0.000 0.464 196 V N 4.075 123.627 119.914 -0.603 0.000 2.585 196 V HA 0.002 4.122 4.120 0.000 0.000 0.296 196 V C 0.738 176.654 176.094 -0.297 0.000 1.035 196 V CA -0.448 61.527 62.300 -0.541 0.000 1.084 196 V CB 0.699 32.141 31.823 -0.636 0.000 0.953 196 V HN 0.460 nan 8.190 nan 0.000 0.483 197 L N 6.903 128.006 121.223 -0.201 0.000 2.418 197 L HA 0.347 4.687 4.340 0.000 0.000 0.274 197 L C -0.189 176.593 176.870 -0.147 0.000 1.135 197 L CA 0.795 55.552 54.840 -0.139 0.000 0.870 197 L CB 0.086 42.093 42.059 -0.087 0.000 1.154 197 L HN 0.620 nan 8.230 nan 0.000 0.462 198 I N 3.634 124.119 120.570 -0.140 0.000 3.062 198 I HA 0.330 4.501 4.170 0.000 0.000 0.316 198 I C 0.296 176.353 176.117 -0.100 0.000 1.041 198 I CA -0.607 60.609 61.300 -0.140 0.000 1.069 198 I CB 1.542 39.450 38.000 -0.155 0.000 1.300 198 I HN 0.717 nan 8.210 nan 0.000 0.518 199 Q N 1.306 121.049 119.800 -0.093 0.000 2.633 199 Q HA 0.104 4.444 4.340 0.000 0.000 0.208 199 Q C 0.198 176.162 176.000 -0.059 0.000 1.010 199 Q CA -0.473 55.290 55.803 -0.067 0.000 0.982 199 Q CB 0.944 29.647 28.738 -0.059 0.000 1.334 199 Q HN 0.708 nan 8.270 nan 0.000 0.508 200 D N -0.059 120.314 120.400 -0.045 0.000 2.183 200 D HA -0.082 4.558 4.640 0.000 0.000 0.205 200 D C 1.224 177.500 176.300 -0.041 0.000 0.962 200 D CA 0.808 54.784 54.000 -0.040 0.000 0.849 200 D CB 0.384 41.166 40.800 -0.031 0.000 0.978 200 D HN 0.372 nan 8.370 nan 0.000 0.488 201 L N 0.371 121.571 121.223 -0.039 0.000 2.966 201 L HA 0.143 4.483 4.340 0.000 0.000 0.262 201 L C 1.474 178.322 176.870 -0.038 0.000 1.165 201 L CA 0.020 54.840 54.840 -0.034 0.000 0.978 201 L CB 0.617 42.661 42.059 -0.025 0.000 1.337 201 L HN -0.221 nan 8.230 nan 0.000 0.563 202 V N 0.639 120.521 119.914 -0.052 0.000 2.307 202 V HA -0.174 3.946 4.120 0.000 0.000 0.245 202 V C 1.308 177.352 176.094 -0.085 0.000 1.045 202 V CA 0.935 63.194 62.300 -0.068 0.000 1.024 202 V CB -0.492 31.275 31.823 -0.094 0.000 0.651 202 V HN 0.319 nan 8.190 nan 0.000 0.449 203 L N 2.774 123.941 121.223 -0.094 0.000 2.418 203 L HA 0.195 4.535 4.340 0.000 0.000 0.274 203 L C 0.367 177.200 176.870 -0.063 0.000 1.135 203 L CA 0.112 54.892 54.840 -0.100 0.000 0.870 203 L CB -0.161 41.835 42.059 -0.105 0.000 1.154 203 L HN 0.549 nan 8.230 nan 0.000 0.462 204 E N 4.303 124.474 120.200 -0.048 0.000 2.179 204 E HA 0.829 5.179 4.350 0.000 0.000 0.275 204 E C -0.072 176.511 176.600 -0.029 0.000 0.945 204 E CA -0.539 55.847 56.400 -0.024 0.000 0.792 204 E CB 1.561 31.264 29.700 0.004 0.000 1.125 204 E HN 0.853 nan 8.360 nan 0.000 0.397 205 G N 1.793 110.577 108.800 -0.027 0.000 2.361 205 G HA2 -0.071 3.889 3.960 0.000 0.000 0.331 205 G HA3 -0.071 3.889 3.960 0.000 0.000 0.331 205 G C -1.549 173.336 174.900 -0.026 0.000 1.324 205 G CA -0.738 44.344 45.100 -0.029 0.000 0.984 205 G HN 0.596 nan 8.290 nan 0.000 0.586 206 D N 1.008 121.400 120.400 -0.014 0.000 2.416 206 D HA 0.240 4.880 4.640 0.000 0.000 0.240 206 D C 2.033 178.331 176.300 -0.003 0.000 1.250 206 D CA -0.242 53.761 54.000 0.005 0.000 0.967 206 D CB 0.165 40.993 40.800 0.047 0.000 1.059 206 D HN 0.389 nan 8.370 nan 0.000 0.512 207 L N 2.308 123.520 121.223 -0.018 0.000 2.043 207 L HA -0.259 4.081 4.340 0.000 0.000 0.212 207 L C 2.497 179.371 176.870 0.007 0.000 1.075 207 L CA 1.417 56.245 54.840 -0.020 0.000 0.752 207 L CB -0.701 41.342 42.059 -0.026 0.000 0.891 207 L HN 0.365 nan 8.230 nan 0.000 0.432 208 S N -1.889 113.814 115.700 0.006 0.000 2.383 208 S HA -0.255 4.216 4.470 0.000 0.000 0.227 208 S C 1.902 176.547 174.600 0.075 0.000 1.026 208 S CA 1.087 59.295 58.200 0.014 0.000 0.981 208 S CB -0.756 62.431 63.200 -0.023 0.000 0.818 208 S HN 0.549 nan 8.310 nan 0.000 0.472 209 H N 1.407 120.434 119.070 -0.071 0.000 2.293 209 H HA 0.026 4.583 4.556 0.000 0.000 0.300 209 H C 2.065 177.297 175.328 -0.160 0.000 1.082 209 H CA 1.626 57.604 56.048 -0.118 0.000 1.308 209 H CB -0.171 29.501 29.762 -0.150 0.000 1.375 209 H HN 0.377 nan 8.280 nan 0.000 0.495 210 I N 0.433 120.908 120.570 -0.160 0.000 2.151 210 I HA -0.355 3.815 4.170 0.000 0.000 0.243 210 I C 2.790 178.815 176.117 -0.154 0.000 1.080 210 I CA 1.500 62.641 61.300 -0.264 0.000 1.339 210 I CB -0.587 37.301 38.000 -0.187 0.000 1.039 210 I HN 0.487 nan 8.210 nan 0.000 0.409 211 H N 2.018 121.012 119.070 -0.126 0.000 2.353 211 H HA -0.122 4.434 4.556 0.000 0.000 0.300 211 H C 2.337 177.618 175.328 -0.079 0.000 1.090 211 H CA 1.719 57.714 56.048 -0.090 0.000 1.327 211 H CB 0.032 29.758 29.762 -0.060 0.000 1.383 211 H HN 0.261 nan 8.280 nan 0.000 0.508 212 R N -0.051 120.531 120.500 0.138 0.000 2.115 212 R HA -0.039 4.301 4.340 0.000 0.000 0.230 212 R C 2.707 178.986 176.300 -0.035 0.000 1.111 212 R CA 0.884 57.040 56.100 0.092 0.000 0.976 212 R CB -0.034 30.329 30.300 0.105 0.000 0.870 212 R HN 0.317 nan 8.270 nan 0.000 0.445 213 L N 0.804 121.943 121.223 -0.141 0.000 2.362 213 L HA -0.144 4.196 4.340 0.000 0.000 0.219 213 L C 0.956 177.744 176.870 -0.137 0.000 1.134 213 L CA 0.748 55.468 54.840 -0.199 0.000 0.807 213 L CB -0.425 41.354 42.059 -0.467 0.000 0.927 213 L HN 0.318 nan 8.230 nan 0.000 0.447 214 Q N -0.432 119.269 119.800 -0.165 0.000 1.802 214 Q HA -0.403 3.937 4.340 0.000 0.000 0.387 214 Q C 0.683 176.624 176.000 -0.097 0.000 0.822 214 Q CA 1.991 57.705 55.803 -0.148 0.000 0.840 214 Q CB -0.958 27.719 28.738 -0.101 0.000 3.553 214 Q HN 0.425 nan 8.270 nan 0.000 0.735 215 N N 0.419 119.092 118.700 -0.046 0.000 2.501 215 N HA 0.110 4.850 4.740 0.000 0.000 0.195 215 N C 1.188 176.713 175.510 0.025 0.000 1.213 215 N CA -0.038 53.010 53.050 -0.003 0.000 0.864 215 N CB 0.012 38.512 38.487 0.021 0.000 0.999 215 N HN 0.221 nan 8.380 nan 0.000 0.454 216 L N -0.174 121.061 121.223 0.021 0.000 2.291 216 L HA -0.029 4.311 4.340 0.000 0.000 0.214 216 L C 1.211 178.148 176.870 0.112 0.000 1.120 216 L CA 0.562 55.465 54.840 0.106 0.000 0.799 216 L CB -0.371 41.792 42.059 0.174 0.000 0.925 216 L HN 0.296 nan 8.230 nan 0.000 0.446 217 T N -1.121 113.426 114.554 -0.012 0.000 2.934 217 T HA 0.575 4.925 4.350 0.000 0.000 0.283 217 T C -0.257 174.426 174.700 -0.029 0.000 1.005 217 T CA -0.742 61.336 62.100 -0.036 0.000 1.041 217 T CB 1.785 70.554 68.868 -0.165 0.000 1.042 217 T HN 0.151 nan 8.240 nan 0.000 0.505 218 I N -1.344 119.189 120.570 -0.062 0.000 2.892 218 I HA 0.743 4.913 4.170 0.000 0.000 0.306 218 I C -1.487 174.587 176.117 -0.072 0.000 1.078 218 I CA -1.249 60.001 61.300 -0.085 0.000 1.032 218 I CB 2.223 39.997 38.000 -0.378 0.000 1.229 218 I HN 0.345 nan 8.210 nan 0.000 0.435 219 D N 4.323 124.745 120.400 0.037 0.000 2.233 219 D HA 0.606 5.246 4.640 0.000 0.000 0.240 219 D C -0.638 175.776 176.300 0.191 0.000 1.074 219 D CA 0.152 54.141 54.000 -0.018 0.000 0.838 219 D CB 1.924 42.570 40.800 -0.256 0.000 1.124 219 D HN 0.432 nan 8.370 nan 0.000 0.475 220 I N 2.534 123.152 120.570 0.079 0.000 2.406 220 I HA 0.262 4.432 4.170 0.000 0.000 0.290 220 I C -0.864 175.301 176.117 0.079 0.000 0.999 220 I CA -1.032 60.372 61.300 0.174 0.000 1.124 220 I CB 1.739 39.785 38.000 0.076 0.000 1.289 220 I HN 0.040 nan 8.210 nan 0.000 0.441 221 L N 8.472 129.777 121.223 0.138 0.000 2.287 221 L HA 0.546 4.886 4.340 0.000 0.000 0.287 221 L C -0.298 176.492 176.870 -0.133 0.000 1.022 221 L CA -0.435 54.360 54.840 -0.075 0.000 0.814 221 L CB 1.608 43.628 42.059 -0.065 0.000 1.217 221 L HN 0.402 nan 8.230 nan 0.000 0.420 222 V N 2.389 122.215 119.914 -0.146 0.000 2.630 222 V HA 0.665 4.786 4.120 0.000 0.000 0.305 222 V C -1.036 175.012 176.094 -0.077 0.000 1.046 222 V CA -0.549 61.755 62.300 0.007 0.000 0.934 222 V CB 1.519 33.411 31.823 0.115 0.000 1.003 222 V HN 0.619 nan 8.190 nan 0.000 0.451 223 Y N 1.440 121.925 120.300 0.309 0.000 2.598 223 Y HA 0.622 5.172 4.550 -0.000 0.000 0.340 223 Y C 0.827 176.859 175.900 0.219 0.000 1.038 223 Y CA -0.236 58.025 58.100 0.270 0.000 1.100 223 Y CB 1.128 39.753 38.460 0.275 0.000 1.281 223 Y HN 0.888 nan 8.280 nan 0.000 0.488 224 D N -0.047 120.553 120.400 0.335 0.000 3.927 224 D HA -0.346 4.294 4.640 0.000 0.000 0.142 224 D C 1.188 177.555 176.300 0.110 0.000 0.830 224 D CA 1.840 55.950 54.000 0.185 0.000 1.091 224 D CB -1.053 39.832 40.800 0.142 0.000 0.495 224 D HN 0.822 nan 8.370 nan 0.000 0.489 225 N N 1.721 120.417 118.700 -0.007 0.000 2.348 225 N HA -0.198 4.542 4.740 0.000 0.000 0.185 225 N C 1.292 176.769 175.510 -0.054 0.000 1.019 225 N CA 1.581 54.620 53.050 -0.018 0.000 0.880 225 N CB -0.767 37.650 38.487 -0.118 0.000 0.965 225 N HN 0.541 nan 8.380 nan 0.000 0.437 226 H N 0.199 119.330 119.070 0.101 0.000 2.529 226 H HA 0.138 4.694 4.556 0.000 0.000 0.277 226 H C 2.113 177.407 175.328 -0.056 0.000 0.999 226 H CA 0.278 56.338 56.048 0.020 0.000 1.256 226 H CB 0.110 29.921 29.762 0.082 0.000 1.402 226 H HN 0.082 nan 8.280 nan 0.000 0.566 227 V N 2.184 122.155 119.914 0.096 0.000 2.295 227 V HA -0.282 3.838 4.120 0.000 0.000 0.246 227 V C 2.722 178.724 176.094 -0.153 0.000 1.049 227 V CA 2.244 64.543 62.300 -0.001 0.000 1.024 227 V CB -0.713 31.170 31.823 0.101 0.000 0.648 227 V HN 0.652 nan 8.190 nan 0.000 0.447 228 H N -0.523 118.507 119.070 -0.068 0.000 2.457 228 H HA -0.052 4.504 4.556 0.001 0.000 0.294 228 H C 2.162 177.434 175.328 -0.094 0.000 1.064 228 H CA 1.833 57.828 56.048 -0.090 0.000 1.330 228 H CB -0.643 29.104 29.762 -0.025 0.000 1.395 228 H HN 0.330 nan 8.280 nan 0.000 0.541 229 V N 1.886 121.428 119.914 -0.620 0.000 2.323 229 V HA -0.175 3.945 4.120 0.000 0.000 0.244 229 V C 3.241 179.190 176.094 -0.242 0.000 1.041 229 V CA 1.624 63.700 62.300 -0.373 0.000 1.025 229 V CB -1.118 30.554 31.823 -0.251 0.000 0.656 229 V HN 0.637 nan 8.190 nan 0.000 0.451 230 A N 0.056 122.713 122.820 -0.271 0.000 1.908 230 A HA -0.275 4.045 4.320 0.000 0.000 0.218 230 A C 2.393 179.645 177.584 -0.553 0.000 1.181 230 A CA 2.117 53.967 52.037 -0.311 0.000 0.627 230 A CB -0.626 18.217 19.000 -0.262 0.000 0.818 230 A HN 0.476 nan 8.150 nan 0.000 0.445 231 R N 0.284 120.308 120.500 -0.793 0.000 2.152 231 R HA -0.125 4.216 4.340 0.000 0.000 0.232 231 R C 2.101 178.248 176.300 -0.254 0.000 1.117 231 R CA 1.773 57.452 56.100 -0.701 0.000 0.981 231 R CB -0.190 29.815 30.300 -0.491 0.000 0.870 231 R HN 0.667 nan 8.270 nan 0.000 0.451 232 S N -0.340 115.250 115.700 -0.182 0.000 2.528 232 S HA 0.116 4.586 4.470 0.000 0.000 0.219 232 S C 0.828 175.383 174.600 -0.075 0.000 0.985 232 S CA -0.358 57.788 58.200 -0.089 0.000 0.914 232 S CB -0.097 63.069 63.200 -0.057 0.000 0.776 232 S HN 0.143 nan 8.310 nan 0.000 0.526 233 L N 2.177 123.348 121.223 -0.087 0.000 2.485 233 L HA 0.242 4.583 4.340 0.000 0.000 0.275 233 L C 0.519 177.367 176.870 -0.035 0.000 1.207 233 L CA -0.071 54.735 54.840 -0.057 0.000 0.855 233 L CB 0.273 42.305 42.059 -0.045 0.000 1.114 233 L HN 0.215 nan 8.230 nan 0.000 0.485 234 K N 2.371 122.747 120.400 -0.040 0.000 2.248 234 K HA 0.301 4.621 4.320 0.000 0.000 0.281 234 K C -0.690 175.881 176.600 -0.048 0.000 1.054 234 K CA -0.654 55.611 56.287 -0.037 0.000 0.903 234 K CB 1.217 33.694 32.500 -0.040 0.000 1.077 234 K HN 0.340 nan 8.250 nan 0.000 0.474 235 V N 4.144 124.037 119.914 -0.034 0.000 2.617 235 V HA 0.083 4.203 4.120 0.000 0.000 0.304 235 V C 1.429 177.478 176.094 -0.075 0.000 1.040 235 V CA 1.787 64.061 62.300 -0.043 0.000 1.149 235 V CB 0.594 32.403 31.823 -0.025 0.000 0.914 235 V HN 1.198 nan 8.190 nan 0.000 0.487 236 G N 3.594 112.325 108.800 -0.114 0.000 2.232 236 G HA2 -0.235 3.725 3.960 0.000 0.000 0.226 236 G HA3 -0.235 3.725 3.960 0.000 0.000 0.226 236 G C 0.391 175.046 174.900 -0.408 0.000 0.996 236 G CA 0.204 45.195 45.100 -0.182 0.000 0.626 236 G HN 1.232 nan 8.290 nan 0.000 0.509 237 S N 0.101 115.608 115.700 -0.321 0.000 2.624 237 S HA 0.730 5.200 4.470 0.000 0.000 0.263 237 S C -0.083 174.189 174.600 -0.546 0.000 1.287 237 S CA -0.403 57.570 58.200 -0.378 0.000 0.990 237 S CB 0.980 64.097 63.200 -0.139 0.000 0.950 237 S HN 0.495 nan 8.310 nan 0.000 0.561 238 F N 0.355 120.302 119.950 -0.005 0.000 2.421 238 F HA 0.667 5.194 4.527 0.000 0.000 0.337 238 F C 0.077 175.854 175.800 -0.037 0.000 1.105 238 F CA -0.906 57.078 58.000 -0.026 0.000 1.049 238 F CB 1.068 40.036 39.000 -0.054 0.000 1.139 238 F HN 0.394 nan 8.300 nan 0.000 0.479 239 L N 2.093 123.377 121.223 0.103 0.000 2.327 239 L HA 0.689 5.029 4.340 0.000 0.000 0.258 239 L C -0.683 176.167 176.870 -0.034 0.000 1.024 239 L CA -1.133 53.724 54.840 0.029 0.000 0.825 239 L CB 2.449 44.506 42.059 -0.003 0.000 1.386 239 L HN 0.503 nan 8.230 nan 0.000 0.417 240 R N 1.494 121.936 120.500 -0.098 0.000 2.388 240 R HA 0.609 4.949 4.340 0.000 0.000 0.314 240 R C -1.504 174.534 176.300 -0.437 0.000 0.959 240 R CA -0.337 55.584 56.100 -0.300 0.000 0.851 240 R CB 0.946 31.010 30.300 -0.394 0.000 1.168 240 R HN 0.614 nan 8.270 nan 0.000 0.472 241 I N 5.873 126.213 120.570 -0.383 0.000 2.291 241 I HA 0.215 4.385 4.170 0.000 0.000 0.290 241 I C -0.634 175.273 176.117 -0.350 0.000 1.050 241 I CA -0.762 60.367 61.300 -0.285 0.000 1.245 241 I CB 0.573 38.460 38.000 -0.190 0.000 1.405 241 I HN 0.544 nan 8.210 nan 0.000 0.478 242 Y N 4.137 124.396 120.300 -0.067 0.000 2.335 242 Y HA 0.111 4.661 4.550 0.000 0.000 0.331 242 Y C 1.442 177.316 175.900 -0.044 0.000 1.094 242 Y CA -0.069 57.991 58.100 -0.066 0.000 1.253 242 Y CB 1.124 39.524 38.460 -0.099 0.000 1.203 242 Y HN 0.674 nan 8.280 nan 0.000 0.508 243 S N 1.949 117.740 115.700 0.152 0.000 3.682 243 S HA -0.196 4.274 4.470 0.000 0.000 0.354 243 S C -0.290 174.456 174.600 0.242 0.000 1.034 243 S CA -0.319 58.010 58.200 0.214 0.000 1.084 243 S CB -1.141 62.166 63.200 0.178 0.000 0.903 243 S HN 0.574 nan 8.310 nan 0.000 0.470 244 L N 2.520 123.761 121.223 0.031 0.000 2.456 244 L HA 0.532 4.872 4.340 0.000 0.000 0.272 244 L C 0.058 177.081 176.870 0.255 0.000 1.189 244 L CA 0.560 55.417 54.840 0.027 0.000 0.846 244 L CB 0.625 42.518 42.059 -0.277 0.000 1.111 244 L HN 0.461 nan 8.230 nan 0.000 0.475 245 H N 2.063 121.208 119.070 0.126 0.000 2.505 245 H HA 0.519 5.075 4.556 0.000 0.000 0.338 245 H C -0.743 174.557 175.328 -0.046 0.000 1.057 245 H CA -0.247 55.766 56.048 -0.057 0.000 1.202 245 H CB 0.996 30.709 29.762 -0.082 0.000 1.466 245 H HN 0.804 nan 8.280 nan 0.000 0.499 246 T N 2.081 116.379 114.554 -0.426 0.000 2.875 246 T HA 0.468 4.818 4.350 0.000 0.000 0.284 246 T C -0.295 173.922 174.700 -0.806 0.000 0.995 246 T CA -1.082 60.648 62.100 -0.617 0.000 1.060 246 T CB 1.360 69.944 68.868 -0.473 0.000 0.967 246 T HN 0.601 nan 8.240 nan 0.000 0.476 247 K N 2.609 122.599 120.400 -0.683 0.000 2.565 247 K HA 0.484 4.804 4.320 0.000 0.000 0.249 247 K C -1.532 174.788 176.600 -0.467 0.000 0.958 247 K CA -0.993 54.968 56.287 -0.542 0.000 0.806 247 K CB 1.782 34.013 32.500 -0.448 0.000 1.194 247 K HN 0.546 nan 8.250 nan 0.000 0.434 248 L N 3.401 124.387 121.223 -0.396 0.000 2.349 248 L HA 0.262 4.602 4.340 0.000 0.000 0.275 248 L C -0.389 176.294 176.870 -0.312 0.000 1.115 248 L CA 0.464 55.060 54.840 -0.407 0.000 0.820 248 L CB 1.272 43.041 42.059 -0.483 0.000 1.135 248 L HN 0.733 nan 8.230 nan 0.000 0.445 249 Q N 2.121 121.759 119.800 -0.271 0.000 2.368 249 Q HA 0.293 4.633 4.340 0.000 0.000 0.256 249 Q C 0.047 175.960 176.000 -0.144 0.000 0.980 249 Q CA 0.032 55.734 55.803 -0.167 0.000 0.887 249 Q CB 0.946 29.625 28.738 -0.097 0.000 1.221 249 Q HN 0.862 nan 8.270 nan 0.000 0.458 250 S N 3.397 119.022 115.700 -0.125 0.000 2.539 250 S HA 0.260 4.730 4.470 0.000 0.000 0.221 250 S C 0.091 174.657 174.600 -0.056 0.000 0.987 250 S CA -0.408 57.731 58.200 -0.102 0.000 0.929 250 S CB 0.344 63.477 63.200 -0.111 0.000 0.832 250 S HN 0.603 nan 8.310 nan 0.000 0.492 251 M N 3.689 123.264 119.600 -0.042 0.000 2.183 251 M HA 0.477 4.957 4.480 0.000 0.000 0.277 251 M C -1.193 175.108 176.300 0.001 0.000 0.995 251 M CA -0.721 54.568 55.300 -0.018 0.000 0.969 251 M CB 1.705 34.294 32.600 -0.019 0.000 1.659 251 M HN 0.262 nan 8.290 nan 0.000 0.462 252 N N 1.858 120.566 118.700 0.014 0.000 2.405 252 N HA 0.326 5.066 4.740 0.000 0.000 0.269 252 N C 0.528 176.059 175.510 0.035 0.000 1.249 252 N CA 0.087 53.157 53.050 0.034 0.000 0.974 252 N CB 0.115 38.625 38.487 0.039 0.000 1.204 252 N HN 0.654 nan 8.380 nan 0.000 0.565 253 S N -1.595 114.133 115.700 0.047 0.000 2.469 253 S HA -0.126 4.344 4.470 0.000 0.000 0.238 253 S C 0.614 175.232 174.600 0.030 0.000 0.998 253 S CA 0.872 59.098 58.200 0.043 0.000 0.957 253 S CB -0.624 62.607 63.200 0.052 0.000 0.764 253 S HN 0.718 nan 8.310 nan 0.000 0.514 254 E N 1.198 121.414 120.200 0.025 0.000 2.451 254 E HA 0.252 4.602 4.350 0.000 0.000 0.194 254 E C -0.471 176.137 176.600 0.014 0.000 1.027 254 E CA -0.339 56.072 56.400 0.018 0.000 0.914 254 E CB -0.381 29.329 29.700 0.017 0.000 1.054 254 E HN 0.650 nan 8.360 nan 0.000 0.461 255 N N 1.645 120.353 118.700 0.014 0.000 2.754 255 N HA -0.212 4.528 4.740 0.000 0.000 0.248 255 N C -0.800 174.713 175.510 0.006 0.000 1.093 255 N CA 0.179 53.234 53.050 0.008 0.000 0.699 255 N CB -0.684 37.807 38.487 0.007 0.000 1.016 255 N HN 0.281 nan 8.380 nan 0.000 0.552 256 Q N 0.121 119.925 119.800 0.008 0.000 2.274 256 Q HA 0.364 4.704 4.340 0.000 0.000 0.260 256 Q C -0.271 175.731 176.000 0.002 0.000 0.974 256 Q CA -0.477 55.329 55.803 0.006 0.000 0.876 256 Q CB 1.633 30.377 28.738 0.009 0.000 1.297 256 Q HN 0.034 nan 8.270 nan 0.000 0.446 257 T N 3.544 118.097 114.554 -0.001 0.000 2.884 257 T HA 0.431 4.781 4.350 0.000 0.000 0.298 257 T C -0.192 174.505 174.700 -0.005 0.000 0.998 257 T CA -0.047 62.048 62.100 -0.008 0.000 1.124 257 T CB 0.196 69.059 68.868 -0.008 0.000 0.931 257 T HN 0.503 nan 8.240 nan 0.000 0.531 258 M N 2.160 121.751 119.600 -0.014 0.000 3.644 258 M HA 0.643 5.123 4.480 0.000 0.000 0.311 258 M C -2.196 174.083 176.300 -0.034 0.000 1.411 258 M CA -0.934 54.362 55.300 -0.007 0.000 0.878 258 M CB 0.991 33.596 32.600 0.008 0.000 1.848 258 M HN 0.282 nan 8.290 nan 0.000 0.502 259 L N 1.393 122.602 121.223 -0.024 0.000 2.482 259 L HA 0.854 5.194 4.340 0.000 0.000 0.269 259 L C -1.166 175.678 176.870 -0.044 0.000 0.967 259 L CA -0.284 54.502 54.840 -0.089 0.000 0.851 259 L CB 2.146 44.164 42.059 -0.067 0.000 1.242 259 L HN 1.049 nan 8.230 nan 0.000 0.404 260 S N 2.774 118.412 115.700 -0.104 0.000 2.556 260 S HA 0.718 5.188 4.470 0.000 0.000 0.271 260 S C -1.472 173.047 174.600 -0.134 0.000 1.135 260 S CA -0.798 57.394 58.200 -0.013 0.000 0.858 260 S CB 2.373 65.624 63.200 0.085 0.000 1.114 260 S HN 0.377 nan 8.310 nan 0.000 0.468 261 L N 2.076 123.261 121.223 -0.063 0.000 2.272 261 L HA 0.544 4.884 4.340 0.000 0.000 0.289 261 L C -0.227 176.357 176.870 -0.476 0.000 1.032 261 L CA 0.025 54.704 54.840 -0.269 0.000 0.810 261 L CB 0.833 42.829 42.059 -0.104 0.000 1.205 261 L HN 0.845 nan 8.230 nan 0.000 0.422 262 E N 4.386 124.070 120.200 -0.860 0.000 2.242 262 E HA 0.388 4.738 4.350 0.000 0.000 0.275 262 E C -1.416 174.472 176.600 -1.187 0.000 1.002 262 E CA -0.376 55.077 56.400 -1.579 0.000 0.841 262 E CB 1.396 30.153 29.700 -1.572 0.000 1.109 262 E HN 0.352 nan 8.360 nan 0.000 0.394 263 F N 1.251 120.807 119.950 -0.656 0.000 2.499 263 F HA 0.306 4.833 4.527 0.000 0.000 0.333 263 F C -0.397 175.317 175.800 -0.143 0.000 1.138 263 F CA -0.759 57.158 58.000 -0.139 0.000 0.945 263 F CB 1.167 40.229 39.000 0.102 0.000 1.181 263 F HN 0.408 nan 8.300 nan 0.000 0.435 264 H N 2.913 122.041 119.070 0.096 0.000 2.600 264 H HA 0.546 5.102 4.556 0.000 0.000 0.357 264 H C -1.213 174.088 175.328 -0.045 0.000 1.106 264 H CA -0.871 55.217 56.048 0.067 0.000 1.193 264 H CB 2.192 31.818 29.762 -0.226 0.000 1.594 264 H HN 0.476 nan 8.280 nan 0.000 0.526 265 L N 4.460 125.781 121.223 0.163 0.000 2.335 265 L HA 0.243 4.583 4.340 0.000 0.000 0.268 265 L C -0.576 176.444 176.870 0.250 0.000 1.037 265 L CA -0.366 54.519 54.840 0.075 0.000 0.895 265 L CB -0.573 41.445 42.059 -0.069 0.000 1.266 265 L HN 0.686 nan 8.230 nan 0.000 0.439 266 H N 2.138 121.449 119.070 0.401 0.000 2.852 266 H HA 0.214 4.770 4.556 0.000 0.000 0.362 266 H C 0.656 176.231 175.328 0.412 0.000 1.122 266 H CA 0.510 56.758 56.048 0.333 0.000 1.419 266 H CB 0.674 30.523 29.762 0.146 0.000 1.401 266 H HN 0.738 nan 8.280 nan 0.000 0.609 267 G N -0.113 108.944 108.800 0.429 0.000 2.614 267 G HA2 0.381 4.342 3.960 0.000 0.000 0.239 267 G HA3 0.381 4.342 3.960 0.000 0.000 0.239 267 G C 0.368 175.363 174.900 0.158 0.000 1.240 267 G CA 0.444 45.696 45.100 0.252 0.000 0.842 267 G HN 0.898 nan 8.290 nan 0.000 0.584 268 G N -0.577 108.222 108.800 -0.001 0.000 2.592 268 G HA2 0.270 4.230 3.960 0.000 0.000 0.684 268 G HA3 0.270 4.230 3.960 0.000 0.000 0.684 268 G C 0.431 175.316 174.900 -0.025 0.000 1.291 268 G CA 0.566 45.654 45.100 -0.019 0.000 0.891 268 G HN 1.856 nan 8.290 nan 0.000 0.544 269 T N -2.703 111.794 114.554 -0.095 0.000 3.111 269 T HA 0.568 4.918 4.350 0.000 0.000 0.284 269 T C 0.944 175.637 174.700 -0.012 0.000 0.983 269 T CA 1.017 63.033 62.100 -0.140 0.000 0.900 269 T CB 0.303 68.831 68.868 -0.566 0.000 1.132 269 T HN 1.123 nan 8.240 nan 0.000 0.531 270 S N 1.582 117.307 115.700 0.041 0.000 2.563 270 S HA 0.252 4.722 4.470 0.000 0.000 0.284 270 S C -0.021 174.701 174.600 0.203 0.000 1.331 270 S CA -0.047 58.209 58.200 0.092 0.000 1.047 270 S CB -0.339 62.920 63.200 0.098 0.000 0.859 270 S HN 0.539 nan 8.310 nan 0.000 0.514 271 Y N 0.309 120.653 120.300 0.073 0.000 4.538 271 Y HA -0.319 4.231 4.550 0.000 0.000 0.225 271 Y C 1.448 177.451 175.900 0.171 0.000 1.074 271 Y CA 1.441 59.636 58.100 0.157 0.000 1.942 271 Y CB -1.603 36.823 38.460 -0.057 0.000 1.618 271 Y HN 1.177 nan 8.280 nan 0.000 0.642 272 G N -0.392 108.500 108.800 0.154 0.000 2.179 272 G HA2 -0.360 3.600 3.960 0.000 0.000 0.260 272 G HA3 -0.360 3.600 3.960 0.000 0.000 0.260 272 G C 0.350 175.203 174.900 -0.079 0.000 0.977 272 G CA -0.072 44.906 45.100 -0.203 0.000 0.641 272 G HN 0.445 nan 8.290 nan 0.000 0.533 273 R N 0.614 121.158 120.500 0.074 0.000 2.485 273 R HA 0.369 4.709 4.340 0.000 0.000 0.304 273 R C 0.889 177.265 176.300 0.126 0.000 0.934 273 R CA 1.523 57.688 56.100 0.109 0.000 1.102 273 R CB 0.021 30.422 30.300 0.168 0.000 0.906 273 R HN 1.069 nan 8.270 nan 0.000 0.407 274 G N 2.251 111.110 108.800 0.098 0.000 2.320 274 G HA2 0.365 4.325 3.960 0.000 0.000 0.296 274 G HA3 0.365 4.325 3.960 0.000 0.000 0.296 274 G C -1.486 173.552 174.900 0.230 0.000 1.306 274 G CA -0.917 44.286 45.100 0.172 0.000 0.836 274 G HN 0.397 nan 8.290 nan 0.000 0.517 275 I N 0.076 120.799 120.570 0.255 0.000 2.533 275 I HA 0.630 4.800 4.170 0.000 0.000 0.290 275 I C -0.212 176.090 176.117 0.308 0.000 1.056 275 I CA -0.781 60.651 61.300 0.219 0.000 1.057 275 I CB 2.555 40.612 38.000 0.096 0.000 1.240 275 I HN 0.541 nan 8.210 nan 0.000 0.423 276 R N 4.876 125.583 120.500 0.345 0.000 2.513 276 R HA 0.631 4.971 4.340 0.000 0.000 0.301 276 R C -1.597 174.852 176.300 0.249 0.000 0.968 276 R CA -0.531 55.803 56.100 0.390 0.000 0.872 276 R CB 1.928 32.586 30.300 0.597 0.000 1.177 276 R HN 0.426 nan 8.270 nan 0.000 0.444 277 V N 6.182 126.213 119.914 0.194 0.000 2.572 277 V HA 0.169 4.290 4.120 0.000 0.000 0.291 277 V C 0.230 176.410 176.094 0.144 0.000 1.039 277 V CA -0.154 62.218 62.300 0.120 0.000 1.055 277 V CB 0.970 32.829 31.823 0.059 0.000 0.969 277 V HN 0.631 nan 8.190 nan 0.000 0.482 278 L N 8.448 129.714 121.223 0.071 0.000 2.264 278 L HA 0.432 4.772 4.340 0.000 0.000 0.289 278 L C -1.917 174.957 176.870 0.006 0.000 1.044 278 L CA -1.632 53.167 54.840 -0.069 0.000 0.807 278 L CB 1.585 43.562 42.059 -0.137 0.000 1.192 278 L HN 0.466 nan 8.230 nan 0.000 0.425 279 P HA 0.081 nan 4.420 nan 0.000 0.274 279 P C -0.128 177.165 177.300 -0.012 0.000 1.246 279 P CA -0.370 62.748 63.100 0.030 0.000 0.795 279 P CB 0.972 32.700 31.700 0.047 0.000 1.006 280 E N 0.010 120.226 120.200 0.028 0.000 2.516 280 E HA -0.076 4.274 4.350 0.000 0.000 0.199 280 E C 1.430 177.993 176.600 -0.063 0.000 1.069 280 E CA 0.794 57.176 56.400 -0.030 0.000 0.876 280 E CB -0.158 29.560 29.700 0.031 0.000 0.843 280 E HN 0.473 nan 8.360 nan 0.000 0.530 281 S N 0.427 116.102 115.700 -0.041 0.000 2.593 281 S HA -0.029 4.441 4.470 0.000 0.000 0.217 281 S C 0.765 175.328 174.600 -0.061 0.000 0.966 281 S CA -0.347 57.832 58.200 -0.035 0.000 0.914 281 S CB -0.053 63.145 63.200 -0.003 0.000 0.776 281 S HN 0.089 nan 8.310 nan 0.000 0.523 282 N N 2.410 121.038 118.700 -0.120 0.000 2.458 282 N HA 0.080 4.820 4.740 0.000 0.000 0.270 282 N C 1.120 176.537 175.510 -0.154 0.000 1.102 282 N CA 0.588 53.534 53.050 -0.174 0.000 0.967 282 N CB 1.506 39.797 38.487 -0.328 0.000 1.078 282 N HN 0.379 nan 8.380 nan 0.000 0.471 283 S N 2.733 118.370 115.700 -0.106 0.000 2.419 283 S HA -0.135 4.336 4.470 0.000 0.000 0.233 283 S C 0.901 175.432 174.600 -0.115 0.000 1.016 283 S CA 0.873 59.018 58.200 -0.091 0.000 0.974 283 S CB 0.073 63.244 63.200 -0.048 0.000 0.786 283 S HN 0.578 nan 8.310 nan 0.000 0.492 284 D N 1.301 121.622 120.400 -0.132 0.000 2.224 284 D HA 0.047 4.687 4.640 0.000 0.000 0.205 284 D C 2.014 178.193 176.300 -0.202 0.000 0.965 284 D CA 0.600 54.520 54.000 -0.134 0.000 0.852 284 D CB -0.272 40.461 40.800 -0.112 0.000 0.947 284 D HN 0.340 nan 8.370 nan 0.000 0.494 285 V N 1.622 121.373 119.914 -0.272 0.000 2.427 285 V HA -0.186 3.934 4.120 0.000 0.000 0.248 285 V C 1.922 177.769 176.094 -0.413 0.000 1.051 285 V CA 1.467 63.496 62.300 -0.452 0.000 1.048 285 V CB -0.293 31.207 31.823 -0.539 0.000 0.666 285 V HN 0.101 nan 8.190 nan 0.000 0.456 286 D N -0.273 119.966 120.400 -0.268 0.000 2.104 286 D HA -0.232 4.408 4.640 0.000 0.000 0.194 286 D C 2.191 178.388 176.300 -0.172 0.000 0.994 286 D CA 1.743 55.624 54.000 -0.197 0.000 0.830 286 D CB -0.100 40.623 40.800 -0.128 0.000 0.959 286 D HN 0.452 nan 8.370 nan 0.000 0.452 287 Q N 0.714 120.422 119.800 -0.154 0.000 2.079 287 Q HA -0.115 4.225 4.340 0.000 0.000 0.200 287 Q C 2.110 178.020 176.000 -0.152 0.000 0.974 287 Q CA 0.831 56.559 55.803 -0.125 0.000 0.840 287 Q CB -0.563 28.115 28.738 -0.099 0.000 0.898 287 Q HN 0.237 nan 8.270 nan 0.000 0.430 288 L N 0.708 121.813 121.223 -0.197 0.000 2.012 288 L HA -0.173 4.167 4.340 0.000 0.000 0.210 288 L C 1.831 178.565 176.870 -0.226 0.000 1.073 288 L CA 2.057 56.767 54.840 -0.218 0.000 0.748 288 L CB -0.576 41.335 42.059 -0.246 0.000 0.891 288 L HN 0.153 nan 8.230 nan 0.000 0.431 289 K N -0.663 119.586 120.400 -0.252 0.000 2.113 289 K HA -0.189 4.132 4.320 0.000 0.000 0.208 289 K C 2.038 178.574 176.600 -0.105 0.000 1.047 289 K CA 1.420 57.611 56.287 -0.160 0.000 0.928 289 K CB -0.150 32.250 32.500 -0.166 0.000 0.716 289 K HN 0.230 nan 8.250 nan 0.000 0.446 290 K N 0.944 121.278 120.400 -0.110 0.000 2.103 290 K HA -0.097 4.224 4.320 0.000 0.000 0.204 290 K C 1.554 178.102 176.600 -0.086 0.000 1.052 290 K CA 1.233 57.474 56.287 -0.077 0.000 0.945 290 K CB -0.230 32.229 32.500 -0.069 0.000 0.722 290 K HN 0.192 nan 8.250 nan 0.000 0.443 291 D N 1.022 121.347 120.400 -0.125 0.000 2.144 291 D HA -0.085 4.555 4.640 0.000 0.000 0.200 291 D C 2.072 178.252 176.300 -0.201 0.000 0.978 291 D CA 0.674 54.588 54.000 -0.143 0.000 0.833 291 D CB -0.071 40.629 40.800 -0.166 0.000 0.961 291 D HN 0.118 nan 8.370 nan 0.000 0.470 292 L N 0.663 121.717 121.223 -0.282 0.000 2.056 292 L HA -0.111 4.229 4.340 0.000 0.000 0.207 292 L C 2.508 179.347 176.870 -0.052 0.000 1.078 292 L CA 1.004 55.598 54.840 -0.410 0.000 0.749 292 L CB -0.420 41.392 42.059 -0.411 0.000 0.901 292 L HN 0.020 nan 8.230 nan 0.000 0.433 293 E N -0.044 120.154 120.200 -0.003 0.000 2.051 293 E HA -0.256 4.094 4.350 0.000 0.000 0.192 293 E C 2.363 178.999 176.600 0.060 0.000 0.991 293 E CA 1.548 57.984 56.400 0.060 0.000 0.799 293 E CB 0.057 29.774 29.700 0.029 0.000 0.748 293 E HN 0.290 nan 8.360 nan 0.000 0.449 294 S N -0.347 115.364 115.700 0.019 0.000 2.368 294 S HA -0.159 4.312 4.470 0.000 0.000 0.225 294 S C 2.015 176.648 174.600 0.055 0.000 1.030 294 S CA 1.334 59.548 58.200 0.023 0.000 0.999 294 S CB -0.266 62.931 63.200 -0.005 0.000 0.844 294 S HN 0.419 nan 8.310 nan 0.000 0.459 295 A N 1.811 124.670 122.820 0.065 0.000 1.930 295 A HA -0.062 4.258 4.320 0.000 0.000 0.217 295 A C 2.084 179.806 177.584 0.229 0.000 1.175 295 A CA 1.519 53.641 52.037 0.141 0.000 0.627 295 A CB -0.848 18.249 19.000 0.162 0.000 0.815 295 A HN 0.601 nan 8.150 nan 0.000 0.443 296 N N 0.075 118.944 118.700 0.282 0.000 2.223 296 N HA -0.082 4.658 4.740 0.000 0.000 0.185 296 N C 1.656 177.261 175.510 0.158 0.000 1.016 296 N CA 1.223 54.444 53.050 0.286 0.000 0.863 296 N CB -0.315 38.357 38.487 0.308 0.000 0.983 296 N HN 0.540 nan 8.380 nan 0.000 0.429 297 L N -0.256 121.035 121.223 0.114 0.000 2.044 297 L HA -0.036 4.304 4.340 0.000 0.000 0.205 297 L C 0.749 177.659 176.870 0.066 0.000 1.075 297 L CA 0.883 55.767 54.840 0.074 0.000 0.747 297 L CB -0.404 41.687 42.059 0.053 0.000 0.903 297 L HN -0.057 nan 8.230 nan 0.000 0.435 298 T N 1.312 115.907 114.554 0.070 0.000 3.855 298 T HA 0.604 4.954 4.350 0.000 0.000 0.306 298 T C -0.117 174.626 174.700 0.071 0.000 1.575 298 T CA 0.419 62.553 62.100 0.058 0.000 1.214 298 T CB -0.196 68.699 68.868 0.045 0.000 1.262 298 T HN 0.451 nan 8.240 nan 0.000 0.883 299 A N 0.000 122.863 122.820 0.072 0.000 2.254 299 A HA 0.000 4.320 4.320 0.000 0.000 0.244 299 A CA 0.000 52.080 52.037 0.072 0.000 0.836 299 A CB 0.000 19.058 19.000 0.096 0.000 0.831 299 A HN 0.000 nan 8.150 nan 0.000 0.486