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 1st4_1_A DATA FIRST_RESID 38 DATA SEQUENCE APVRLPFSGF RLQKVLRESA RDKIIFLHGK VNEASGDGDG EDAVVILEKT DATA SEQUENCE PFQVEQVAQL LTGSPELQLQ FSNDIYSTYH LFPPRQLNDV KTTVVYPATE DATA SEQUENCE KHLQKYLRQD LRLIRETGDD YRNITLPHLE SQSLSIQWVY NILDKKAEAD DATA SEQUENCE RIVFENPDPS DGFVLIPDLK WNQQQLDDLY LIAICHRRGI RSLRDLTPEH DATA SEQUENCE LPLLRNILHQ GQEAILQRYR MKGDHLRVYL HYLPSYYHLN VHFTALGFEA DATA SEQUENCE PGSGVERAHL LAEVIENLEC DPRHYQQRTL TFALRADDPL LKLLQEAQQS 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 38 A HA 0.000 nan 4.320 nan 0.000 0.244 38 A C 0.000 177.559 177.584 -0.041 0.000 1.274 38 A CA 0.000 52.016 52.037 -0.035 0.000 0.836 38 A CB 0.000 18.982 19.000 -0.031 0.000 0.831 39 P HA 0.724 nan 4.420 nan 0.000 0.277 39 P C -0.053 177.214 177.300 -0.056 0.000 1.240 39 P CA -0.248 62.821 63.100 -0.052 0.000 0.798 39 P CB 1.255 32.925 31.700 -0.050 0.000 0.979 40 V N -0.576 119.298 119.914 -0.068 0.000 3.182 40 V HA 0.729 4.849 4.120 -0.000 0.000 0.311 40 V C 0.011 176.047 176.094 -0.097 0.000 1.221 40 V CA -1.186 61.068 62.300 -0.077 0.000 1.060 40 V CB 1.665 33.439 31.823 -0.081 0.000 1.164 40 V HN 0.505 nan 8.190 nan 0.000 0.466 41 R N -0.210 120.219 120.500 -0.117 0.000 2.902 41 R HA 0.639 4.979 4.340 -0.000 0.000 0.258 41 R C -0.882 175.278 176.300 -0.233 0.000 1.071 41 R CA -1.049 54.959 56.100 -0.154 0.000 1.024 41 R CB 1.783 32.003 30.300 -0.133 0.000 1.184 41 R HN 0.675 nan 8.270 nan 0.000 0.492 42 L N 3.081 124.100 121.223 -0.341 0.000 2.573 42 L HA -0.030 4.310 4.340 -0.000 0.000 0.290 42 L C -1.064 175.403 176.870 -0.671 0.000 1.247 42 L CA -0.596 53.865 54.840 -0.630 0.000 0.876 42 L CB 0.189 41.695 42.059 -0.921 0.000 1.123 42 L HN 0.355 nan 8.230 nan 0.000 0.505 43 P HA -0.009 nan 4.420 nan 0.000 0.258 43 P C -0.761 176.275 177.300 -0.439 0.000 1.319 43 P CA 0.510 63.387 63.100 -0.372 0.000 0.785 43 P CB -0.341 31.281 31.700 -0.131 0.000 1.252 44 F N -3.714 116.081 119.950 -0.258 0.000 2.685 44 F HA 0.682 5.209 4.527 -0.000 0.000 0.315 44 F C -0.561 175.161 175.800 -0.129 0.000 1.126 44 F CA -1.951 55.869 58.000 -0.300 0.000 0.950 44 F CB 0.207 38.870 39.000 -0.563 0.000 1.360 44 F HN -0.477 nan 8.300 nan 0.000 0.469 45 S N 0.276 116.120 115.700 0.240 0.000 2.525 45 S HA 0.751 5.220 4.470 -0.000 0.000 0.290 45 S C 0.001 174.741 174.600 0.234 0.000 1.152 45 S CA -0.014 58.296 58.200 0.183 0.000 1.072 45 S CB 1.021 64.277 63.200 0.094 0.000 1.027 45 S HN 1.685 nan 8.310 nan 0.000 0.500 46 G N 1.369 110.299 108.800 0.216 0.000 2.733 46 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.686 46 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.686 46 G C -1.145 173.925 174.900 0.283 0.000 1.373 46 G CA -0.599 44.606 45.100 0.174 0.000 0.838 46 G HN 0.905 nan 8.290 nan 0.000 0.588 47 F N 1.404 121.380 119.950 0.044 0.000 2.722 47 F HA 0.691 5.218 4.527 -0.000 0.000 0.336 47 F C -0.310 175.475 175.800 -0.024 0.000 1.216 47 F CA -0.862 57.130 58.000 -0.014 0.000 1.065 47 F CB 1.463 40.518 39.000 0.092 0.000 1.325 47 F HN 0.737 nan 8.300 nan 0.000 0.524 48 R N 6.754 126.988 120.500 -0.444 0.000 2.360 48 R HA 0.560 4.900 4.340 -0.000 0.000 0.318 48 R C -1.404 174.603 176.300 -0.488 0.000 0.950 48 R CA -0.950 54.980 56.100 -0.285 0.000 0.837 48 R CB 1.294 31.484 30.300 -0.182 0.000 1.165 48 R HN 0.790 nan 8.270 nan 0.000 0.458 49 L N 4.287 125.356 121.223 -0.256 0.000 2.628 49 L HA -0.075 4.265 4.340 -0.000 0.000 0.274 49 L C 0.578 177.311 176.870 -0.228 0.000 1.209 49 L CA 1.044 55.775 54.840 -0.181 0.000 0.930 49 L CB 0.815 42.911 42.059 0.062 0.000 1.183 49 L HN 0.789 nan 8.230 nan 0.000 0.492 50 Q N 3.884 123.493 119.800 -0.318 0.000 2.390 50 Q HA 0.214 4.554 4.340 -0.000 0.000 0.216 50 Q C 0.054 175.964 176.000 -0.150 0.000 0.916 50 Q CA 0.603 56.224 55.803 -0.303 0.000 0.911 50 Q CB 0.612 28.988 28.738 -0.604 0.000 1.035 50 Q HN 0.585 nan 8.270 nan 0.000 0.541 51 K N 0.186 120.545 120.400 -0.068 0.000 2.592 51 K HA 0.226 4.546 4.320 -0.000 0.000 0.259 51 K C -1.523 175.156 176.600 0.132 0.000 0.937 51 K CA -0.216 56.098 56.287 0.045 0.000 0.874 51 K CB 2.391 34.933 32.500 0.070 0.000 1.339 51 K HN -0.188 nan 8.250 nan 0.000 0.425 52 V N 6.521 126.506 119.914 0.120 0.000 2.387 52 V HA 0.063 4.183 4.120 -0.000 0.000 0.260 52 V C 1.542 177.721 176.094 0.141 0.000 1.054 52 V CA 0.077 62.465 62.300 0.146 0.000 0.967 52 V CB 0.390 32.282 31.823 0.116 0.000 1.036 52 V HN 0.713 nan 8.190 nan 0.000 0.481 53 L N 3.816 125.148 121.223 0.182 0.000 2.093 53 L HA 0.115 4.455 4.340 -0.000 0.000 0.208 53 L C 1.260 178.163 176.870 0.055 0.000 1.085 53 L CA 1.227 56.148 54.840 0.135 0.000 0.755 53 L CB -0.178 41.993 42.059 0.187 0.000 0.904 53 L HN 0.595 nan 8.230 nan 0.000 0.435 54 R N 0.143 120.692 120.500 0.081 0.000 2.604 54 R HA 0.275 4.615 4.340 -0.000 0.000 0.261 54 R C -1.707 174.698 176.300 0.174 0.000 1.080 54 R CA -0.496 55.616 56.100 0.020 0.000 0.917 54 R CB 1.660 31.797 30.300 -0.271 0.000 1.252 54 R HN 0.170 nan 8.270 nan 0.000 0.456 55 E N 1.568 121.848 120.200 0.133 0.000 2.356 55 E HA 0.465 4.815 4.350 -0.000 0.000 0.275 55 E C -1.769 174.908 176.600 0.129 0.000 0.904 55 E CA -0.935 55.565 56.400 0.167 0.000 0.757 55 E CB 2.367 32.144 29.700 0.129 0.000 1.232 55 E HN 0.326 nan 8.360 nan 0.000 0.442 56 S N 1.159 116.941 115.700 0.137 0.000 2.733 56 S HA 0.531 5.001 4.470 -0.000 0.000 0.294 56 S C 0.311 174.962 174.600 0.086 0.000 1.149 56 S CA 0.093 58.355 58.200 0.104 0.000 1.034 56 S CB 1.217 64.486 63.200 0.115 0.000 1.015 56 S HN 0.720 nan 8.310 nan 0.000 0.486 57 A N 5.267 128.129 122.820 0.069 0.000 1.933 57 A HA -0.040 4.279 4.320 -0.000 0.000 0.218 57 A C 2.149 179.770 177.584 0.061 0.000 1.175 57 A CA 1.231 53.305 52.037 0.061 0.000 0.628 57 A CB -0.524 18.508 19.000 0.054 0.000 0.814 57 A HN 0.845 nan 8.150 nan 0.000 0.444 58 R N -0.349 120.189 120.500 0.063 0.000 2.091 58 R HA -0.162 4.178 4.340 -0.000 0.000 0.238 58 R C 0.553 176.896 176.300 0.073 0.000 1.136 58 R CA 1.942 58.080 56.100 0.064 0.000 0.959 58 R CB -0.303 30.032 30.300 0.058 0.000 0.856 58 R HN 0.386 nan 8.270 nan 0.000 0.437 59 D N 0.216 120.665 120.400 0.082 0.000 2.349 59 D HA 0.031 4.671 4.640 -0.000 0.000 0.214 59 D C -0.259 176.086 176.300 0.075 0.000 1.063 59 D CA 0.203 54.258 54.000 0.093 0.000 0.847 59 D CB 0.346 41.216 40.800 0.116 0.000 0.933 59 D HN 0.010 nan 8.370 nan 0.000 0.513 60 K N 0.367 120.804 120.400 0.063 0.000 3.257 60 K HA -0.175 4.145 4.320 -0.000 0.000 0.270 60 K C -0.371 176.241 176.600 0.020 0.000 0.984 60 K CA 0.298 56.607 56.287 0.037 0.000 0.739 60 K CB -1.507 31.003 32.500 0.016 0.000 1.351 60 K HN 0.352 nan 8.250 nan 0.000 0.463 61 I N -0.373 120.225 120.570 0.047 0.000 2.894 61 I HA 0.664 4.834 4.170 -0.000 0.000 0.302 61 I C -1.373 174.788 176.117 0.074 0.000 1.188 61 I CA -1.440 59.867 61.300 0.012 0.000 1.014 61 I CB 1.617 39.629 38.000 0.020 0.000 1.242 61 I HN 0.242 nan 8.210 nan 0.000 0.430 62 I N 5.422 125.988 120.570 -0.008 0.000 2.656 62 I HA 0.470 4.640 4.170 -0.000 0.000 0.292 62 I C -1.892 174.249 176.117 0.040 0.000 1.144 62 I CA -0.430 60.935 61.300 0.110 0.000 1.038 62 I CB 1.958 40.001 38.000 0.072 0.000 1.244 62 I HN 0.428 nan 8.210 nan 0.000 0.420 63 F N 7.390 127.353 119.950 0.021 0.000 2.460 63 F HA 0.558 5.085 4.527 -0.000 0.000 0.341 63 F C -0.674 175.187 175.800 0.101 0.000 1.130 63 F CA -0.531 57.480 58.000 0.018 0.000 0.962 63 F CB 1.519 40.520 39.000 0.002 0.000 1.171 63 F HN 0.098 nan 8.300 nan 0.000 0.436 64 L N 3.423 124.827 121.223 0.303 0.000 2.334 64 L HA 0.486 4.826 4.340 -0.000 0.000 0.276 64 L C -0.673 176.475 176.870 0.463 0.000 1.014 64 L CA -1.044 54.012 54.840 0.360 0.000 0.815 64 L CB 1.586 43.874 42.059 0.380 0.000 1.268 64 L HN 0.495 nan 8.230 nan 0.000 0.428 65 H N 1.627 120.847 119.070 0.249 0.000 2.556 65 H HA 0.644 5.200 4.556 -0.000 0.000 0.310 65 H C -0.434 174.852 175.328 -0.071 0.000 1.057 65 H CA -0.872 55.256 56.048 0.133 0.000 1.264 65 H CB 1.350 31.168 29.762 0.093 0.000 1.404 65 H HN 0.660 nan 8.280 nan 0.000 0.462 66 G N 4.060 112.763 108.800 -0.162 0.000 2.453 66 G HA2 0.383 4.343 3.960 -0.000 0.000 0.323 66 G HA3 0.383 4.343 3.960 -0.000 0.000 0.323 66 G C -0.886 173.650 174.900 -0.607 0.000 1.198 66 G CA -0.900 43.516 45.100 -1.141 0.000 0.959 66 G HN 0.452 nan 8.290 nan 0.000 0.482 67 K N 0.391 120.427 120.400 -0.606 0.000 2.201 67 K HA 0.531 4.851 4.320 -0.000 0.000 0.278 67 K C 0.083 176.458 176.600 -0.375 0.000 1.027 67 K CA -0.391 55.686 56.287 -0.350 0.000 0.909 67 K CB 1.606 33.962 32.500 -0.241 0.000 1.062 67 K HN 0.564 nan 8.250 nan 0.000 0.465 68 V N -0.703 119.039 119.914 -0.287 0.000 3.102 68 V HA 0.493 4.613 4.120 -0.000 0.000 0.312 68 V C -0.051 175.982 176.094 -0.101 0.000 1.135 68 V CA -0.963 61.163 62.300 -0.289 0.000 1.022 68 V CB 1.804 33.209 31.823 -0.696 0.000 1.056 68 V HN 0.806 nan 8.190 nan 0.000 0.436 69 N N 0.711 119.399 118.700 -0.021 0.000 2.747 69 N HA -0.193 4.547 4.740 -0.000 0.000 0.249 69 N C 0.768 176.288 175.510 0.018 0.000 1.107 69 N CA 1.433 54.503 53.050 0.033 0.000 0.707 69 N CB -1.188 37.346 38.487 0.079 0.000 1.054 69 N HN 0.994 nan 8.380 nan 0.000 0.555 70 E N -0.364 119.833 120.200 -0.005 0.000 2.347 70 E HA 0.056 4.406 4.350 -0.000 0.000 0.196 70 E C 1.297 177.899 176.600 0.004 0.000 1.008 70 E CA 1.005 57.400 56.400 -0.009 0.000 0.852 70 E CB 0.097 29.779 29.700 -0.029 0.000 0.783 70 E HN 0.513 nan 8.360 nan 0.000 0.505 71 A N 1.152 123.980 122.820 0.012 0.000 2.532 71 A HA 0.164 4.484 4.320 -0.000 0.000 0.273 71 A C 0.248 177.844 177.584 0.019 0.000 1.342 71 A CA -0.158 51.888 52.037 0.014 0.000 0.929 71 A CB -0.085 18.925 19.000 0.016 0.000 1.051 71 A HN 0.131 nan 8.150 nan 0.000 0.521 72 S N -2.847 112.866 115.700 0.023 0.000 2.618 72 S HA 0.779 5.249 4.470 -0.000 0.000 0.277 72 S C 0.649 175.265 174.600 0.026 0.000 1.138 72 S CA 0.133 58.350 58.200 0.027 0.000 0.844 72 S CB 1.134 64.356 63.200 0.038 0.000 1.127 72 S HN 1.942 nan 8.310 nan 0.000 0.474 73 G N 2.391 111.207 108.800 0.026 0.000 2.622 73 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.307 73 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.307 73 G C 0.296 175.208 174.900 0.019 0.000 1.226 73 G CA 1.037 46.152 45.100 0.024 0.000 0.997 73 G HN 1.477 nan 8.290 nan 0.000 0.551 74 D N 1.507 121.918 120.400 0.018 0.000 2.336 74 D HA 0.372 5.012 4.640 -0.000 0.000 0.229 74 D C 1.793 178.099 176.300 0.010 0.000 1.061 74 D CA 1.265 55.273 54.000 0.014 0.000 0.875 74 D CB -0.413 40.395 40.800 0.013 0.000 0.904 74 D HN 2.206 nan 8.370 nan 0.000 0.525 75 G N 0.443 109.249 108.800 0.011 0.000 2.176 75 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.253 75 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.253 75 G C 0.750 175.650 174.900 -0.001 0.000 0.979 75 G CA 0.341 45.444 45.100 0.005 0.000 0.641 75 G HN 0.363 nan 8.290 nan 0.000 0.530 76 D N 0.662 121.064 120.400 0.003 0.000 2.249 76 D HA 0.358 4.998 4.640 -0.000 0.000 0.205 76 D C 2.001 178.298 176.300 -0.006 0.000 0.962 76 D CA 2.036 56.035 54.000 -0.002 0.000 0.860 76 D CB -0.255 40.549 40.800 0.007 0.000 0.955 76 D HN 1.493 nan 8.370 nan 0.000 0.505 77 G N 0.583 109.386 108.800 0.004 0.000 2.601 77 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.252 77 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.252 77 G C -0.312 174.604 174.900 0.026 0.000 1.294 77 G CA -0.118 44.987 45.100 0.008 0.000 0.912 77 G HN 0.281 nan 8.290 nan 0.000 0.574 78 E N -0.493 119.724 120.200 0.029 0.000 2.446 78 E HA 0.442 4.792 4.350 -0.000 0.000 0.276 78 E C -1.471 175.158 176.600 0.048 0.000 0.969 78 E CA -0.959 55.483 56.400 0.071 0.000 0.800 78 E CB 1.629 31.434 29.700 0.176 0.000 1.341 78 E HN 0.479 nan 8.360 nan 0.000 0.460 79 D N 0.653 121.103 120.400 0.083 0.000 2.210 79 D HA 0.529 5.169 4.640 -0.000 0.000 0.249 79 D C -0.841 175.520 176.300 0.100 0.000 1.078 79 D CA -0.082 53.979 54.000 0.103 0.000 0.875 79 D CB 1.739 42.566 40.800 0.045 0.000 1.175 79 D HN 0.438 nan 8.370 nan 0.000 0.440 80 A N 1.496 124.365 122.820 0.081 0.000 2.479 80 A HA 0.669 4.989 4.320 -0.000 0.000 0.296 80 A C -1.073 176.659 177.584 0.246 0.000 1.121 80 A CA -0.661 51.465 52.037 0.148 0.000 0.743 80 A CB 1.714 20.669 19.000 -0.077 0.000 1.323 80 A HN 0.324 nan 8.150 nan 0.000 0.415 81 V N 0.991 121.069 119.914 0.273 0.000 2.540 81 V HA 0.530 4.650 4.120 -0.000 0.000 0.302 81 V C -0.680 175.573 176.094 0.265 0.000 1.035 81 V CA -0.430 62.052 62.300 0.303 0.000 0.873 81 V CB 1.659 33.666 31.823 0.308 0.000 0.992 81 V HN 0.697 nan 8.190 nan 0.000 0.428 82 V N 6.468 126.521 119.914 0.233 0.000 2.459 82 V HA 0.579 4.699 4.120 -0.000 0.000 0.295 82 V C -0.367 175.694 176.094 -0.053 0.000 1.029 82 V CA -0.488 61.837 62.300 0.041 0.000 0.874 82 V CB 1.870 33.599 31.823 -0.156 0.000 0.985 82 V HN 0.682 nan 8.190 nan 0.000 0.438 83 I N 5.587 126.053 120.570 -0.173 0.000 2.436 83 I HA 0.510 4.680 4.170 -0.000 0.000 0.289 83 I C -0.863 175.072 176.117 -0.304 0.000 1.010 83 I CA -0.365 60.715 61.300 -0.367 0.000 1.098 83 I CB 1.775 39.404 38.000 -0.617 0.000 1.266 83 I HN 0.321 nan 8.210 nan 0.000 0.434 84 L N 6.154 127.208 121.223 -0.283 0.000 2.356 84 L HA 0.591 4.931 4.340 -0.000 0.000 0.277 84 L C -0.510 176.245 176.870 -0.191 0.000 0.996 84 L CA -0.462 54.259 54.840 -0.198 0.000 0.822 84 L CB 2.064 44.040 42.059 -0.138 0.000 1.256 84 L HN 0.599 nan 8.230 nan 0.000 0.413 85 E N 3.306 123.410 120.200 -0.159 0.000 2.246 85 E HA 0.299 4.648 4.350 -0.000 0.000 0.266 85 E C -0.997 175.545 176.600 -0.095 0.000 0.880 85 E CA -0.885 55.443 56.400 -0.120 0.000 0.762 85 E CB 1.706 31.336 29.700 -0.118 0.000 1.180 85 E HN 0.324 nan 8.360 nan 0.000 0.416 86 K N 1.781 122.134 120.400 -0.078 0.000 2.380 86 K HA 0.123 4.442 4.320 -0.000 0.000 0.267 86 K C 0.211 176.739 176.600 -0.120 0.000 0.990 86 K CA 0.058 56.285 56.287 -0.101 0.000 0.946 86 K CB 0.803 33.245 32.500 -0.095 0.000 0.937 86 K HN 0.647 nan 8.250 nan 0.000 0.491 87 T N -0.451 114.001 114.554 -0.170 0.000 2.934 87 T HA 0.498 4.848 4.350 -0.000 0.000 0.283 87 T C -2.262 172.280 174.700 -0.264 0.000 1.005 87 T CA -1.870 60.128 62.100 -0.171 0.000 1.041 87 T CB 0.934 69.709 68.868 -0.154 0.000 1.042 87 T HN 0.202 nan 8.240 nan 0.000 0.505 88 P HA 0.280 nan 4.420 nan 0.000 0.269 88 P C -0.616 176.562 177.300 -0.203 0.000 1.215 88 P CA -0.482 62.535 63.100 -0.139 0.000 0.780 88 P CB 0.117 31.791 31.700 -0.043 0.000 0.898 89 F N 0.290 120.242 119.950 0.005 0.000 2.459 89 F HA 0.134 4.661 4.527 -0.000 0.000 0.346 89 F C 1.357 177.160 175.800 0.005 0.000 1.128 89 F CA 0.320 58.321 58.000 0.003 0.000 1.268 89 F CB 0.345 39.348 39.000 0.005 0.000 1.161 89 F HN 0.186 nan 8.300 nan 0.000 0.583 90 Q N 1.894 121.809 119.800 0.192 0.000 2.430 90 Q HA 0.222 4.562 4.340 -0.000 0.000 0.245 90 Q C 0.754 176.826 176.000 0.120 0.000 1.021 90 Q CA -0.406 55.469 55.803 0.121 0.000 0.867 90 Q CB 1.634 30.415 28.738 0.072 0.000 1.210 90 Q HN 0.602 nan 8.270 nan 0.000 0.487 91 V N 2.495 122.468 119.914 0.098 0.000 2.380 91 V HA -0.338 3.782 4.120 -0.000 0.000 0.251 91 V C 1.768 177.886 176.094 0.039 0.000 1.063 91 V CA 2.122 64.457 62.300 0.057 0.000 1.055 91 V CB -0.280 31.567 31.823 0.039 0.000 0.657 91 V HN 0.777 nan 8.190 nan 0.000 0.455 92 E N -0.737 119.487 120.200 0.041 0.000 2.106 92 E HA -0.216 4.134 4.350 -0.000 0.000 0.192 92 E C 2.428 179.045 176.600 0.028 0.000 0.984 92 E CA 1.035 57.452 56.400 0.028 0.000 0.806 92 E CB -0.098 29.618 29.700 0.026 0.000 0.750 92 E HN 0.553 nan 8.360 nan 0.000 0.458 93 Q N 0.040 119.865 119.800 0.041 0.000 2.119 93 Q HA -0.094 4.246 4.340 -0.000 0.000 0.201 93 Q C 2.395 178.420 176.000 0.042 0.000 0.972 93 Q CA 0.802 56.630 55.803 0.041 0.000 0.847 93 Q CB -0.370 28.398 28.738 0.050 0.000 0.903 93 Q HN 0.213 nan 8.270 nan 0.000 0.433 94 V N 1.453 121.399 119.914 0.053 0.000 2.237 94 V HA -0.273 3.847 4.120 -0.000 0.000 0.245 94 V C 2.421 178.509 176.094 -0.010 0.000 1.046 94 V CA 1.958 64.271 62.300 0.022 0.000 1.007 94 V CB -1.280 30.532 31.823 -0.018 0.000 0.638 94 V HN 0.343 nan 8.190 nan 0.000 0.445 95 A N -0.370 122.444 122.820 -0.010 0.000 1.917 95 A HA -0.355 3.965 4.320 -0.000 0.000 0.219 95 A C 2.177 179.754 177.584 -0.012 0.000 1.182 95 A CA 2.519 54.547 52.037 -0.016 0.000 0.633 95 A CB -0.642 18.352 19.000 -0.010 0.000 0.819 95 A HN 0.584 nan 8.150 nan 0.000 0.448 96 Q N -0.803 118.996 119.800 -0.002 0.000 2.167 96 Q HA -0.100 4.240 4.340 -0.000 0.000 0.202 96 Q C 1.783 177.781 176.000 -0.004 0.000 0.970 96 Q CA 1.619 57.422 55.803 -0.001 0.000 0.855 96 Q CB -0.470 28.271 28.738 0.005 0.000 0.911 96 Q HN 0.515 nan 8.270 nan 0.000 0.438 97 L N -0.445 120.777 121.223 -0.001 0.000 2.056 97 L HA -0.001 4.339 4.340 -0.000 0.000 0.207 97 L C 1.786 178.644 176.870 -0.021 0.000 1.078 97 L CA 1.673 56.511 54.840 -0.003 0.000 0.749 97 L CB -0.442 41.621 42.059 0.007 0.000 0.901 97 L HN 0.363 nan 8.230 nan 0.000 0.433 98 L N -1.492 119.712 121.223 -0.033 0.000 2.478 98 L HA -0.077 4.263 4.340 -0.000 0.000 0.223 98 L C 2.199 179.043 176.870 -0.044 0.000 1.140 98 L CA 0.771 55.581 54.840 -0.051 0.000 0.842 98 L CB -0.644 41.379 42.059 -0.061 0.000 0.953 98 L HN 0.249 nan 8.230 nan 0.000 0.452 99 T N -0.493 114.043 114.554 -0.030 0.000 2.951 99 T HA 0.018 4.368 4.350 -0.000 0.000 0.268 99 T C 1.223 175.910 174.700 -0.022 0.000 1.073 99 T CA 1.021 63.107 62.100 -0.024 0.000 1.134 99 T CB 0.017 68.875 68.868 -0.016 0.000 0.884 99 T HN 0.520 nan 8.240 nan 0.000 0.479 100 G N 0.407 109.195 108.800 -0.021 0.000 3.182 100 G HA2 0.407 4.367 3.960 -0.000 0.000 0.167 100 G HA3 0.407 4.367 3.960 -0.000 0.000 0.167 100 G C -0.649 174.237 174.900 -0.023 0.000 1.537 100 G CA -0.207 44.883 45.100 -0.017 0.000 1.046 100 G HN 0.385 nan 8.290 nan 0.000 0.580 101 S N 1.714 117.403 115.700 -0.017 0.000 2.395 101 S HA 0.529 4.999 4.470 -0.000 0.000 0.207 101 S C -2.823 171.770 174.600 -0.010 0.000 1.454 101 S CA -0.843 57.346 58.200 -0.019 0.000 1.211 101 S CB 1.331 64.525 63.200 -0.010 0.000 1.093 101 S HN 0.366 nan 8.310 nan 0.000 0.472 102 P HA 0.314 nan 4.420 nan 0.000 0.277 102 P C -0.379 176.936 177.300 0.026 0.000 1.240 102 P CA -0.654 62.447 63.100 0.001 0.000 0.798 102 P CB 0.556 32.241 31.700 -0.025 0.000 0.979 103 E N 1.699 121.943 120.200 0.073 0.000 2.265 103 E HA 0.217 4.566 4.350 -0.000 0.000 0.272 103 E C -1.011 175.711 176.600 0.203 0.000 1.067 103 E CA -0.027 56.449 56.400 0.126 0.000 0.900 103 E CB -0.054 29.732 29.700 0.143 0.000 1.017 103 E HN 0.321 nan 8.360 nan 0.000 0.431 104 L N 3.796 125.133 121.223 0.190 0.000 2.409 104 L HA 0.409 4.749 4.340 -0.000 0.000 0.262 104 L C -0.595 176.454 176.870 0.300 0.000 0.992 104 L CA -0.836 54.144 54.840 0.232 0.000 0.817 104 L CB 2.259 44.378 42.059 0.100 0.000 1.350 104 L HN 0.488 nan 8.230 nan 0.000 0.411 105 Q N 2.104 122.127 119.800 0.372 0.000 2.375 105 Q HA 0.529 4.869 4.340 -0.000 0.000 0.271 105 Q C -1.326 174.850 176.000 0.294 0.000 1.074 105 Q CA -1.010 54.972 55.803 0.299 0.000 0.808 105 Q CB 3.358 32.237 28.738 0.235 0.000 1.327 105 Q HN 0.355 nan 8.270 nan 0.000 0.441 106 L N 2.336 123.647 121.223 0.147 0.000 2.281 106 L HA 0.102 4.442 4.340 -0.000 0.000 0.285 106 L C 0.800 177.600 176.870 -0.116 0.000 1.074 106 L CA 0.774 55.547 54.840 -0.111 0.000 0.817 106 L CB 0.944 42.933 42.059 -0.118 0.000 1.168 106 L HN 0.814 nan 8.230 nan 0.000 0.434 107 Q N 4.775 124.414 119.800 -0.269 0.000 2.324 107 Q HA 0.218 4.558 4.340 -0.000 0.000 0.207 107 Q C -0.729 174.992 176.000 -0.467 0.000 0.928 107 Q CA 0.497 56.082 55.803 -0.363 0.000 0.890 107 Q CB 0.300 28.722 28.738 -0.526 0.000 1.001 107 Q HN 0.610 nan 8.270 nan 0.000 0.517 108 F N -0.234 119.629 119.950 -0.145 0.000 2.591 108 F HA 0.517 5.044 4.527 -0.000 0.000 0.309 108 F C -0.703 175.021 175.800 -0.126 0.000 1.098 108 F CA -1.287 56.653 58.000 -0.100 0.000 0.937 108 F CB 2.490 41.450 39.000 -0.067 0.000 1.250 108 F HN -0.237 nan 8.300 nan 0.000 0.447 109 S N 2.447 118.240 115.700 0.155 0.000 2.619 109 S HA 0.520 4.990 4.470 -0.000 0.000 0.280 109 S C -1.629 173.028 174.600 0.095 0.000 1.150 109 S CA -0.504 57.740 58.200 0.073 0.000 0.978 109 S CB 1.123 64.341 63.200 0.031 0.000 1.041 109 S HN 0.691 nan 8.310 nan 0.000 0.485 110 N N 3.446 122.215 118.700 0.116 0.000 2.697 110 N HA 0.184 4.923 4.740 -0.000 0.000 0.271 110 N C -0.456 175.141 175.510 0.145 0.000 1.149 110 N CA 0.046 53.166 53.050 0.117 0.000 0.939 110 N CB 1.649 40.198 38.487 0.104 0.000 1.534 110 N HN 0.833 nan 8.380 nan 0.000 0.556 111 D N 1.464 121.912 120.400 0.080 0.000 4.438 111 D HA -0.308 4.332 4.640 -0.000 0.000 0.158 111 D C 1.238 177.524 176.300 -0.022 0.000 0.686 111 D CA 3.088 57.113 54.000 0.042 0.000 1.183 111 D CB -1.106 39.736 40.800 0.070 0.000 0.623 111 D HN 0.584 nan 8.370 nan 0.000 0.521 112 I N -2.100 118.383 120.570 -0.144 0.000 3.265 112 I HA 0.208 4.378 4.170 -0.000 0.000 0.282 112 I C 0.575 176.435 176.117 -0.428 0.000 1.207 112 I CA -0.297 60.798 61.300 -0.341 0.000 1.449 112 I CB -0.133 37.585 38.000 -0.469 0.000 1.121 112 I HN 0.151 nan 8.210 nan 0.000 0.442 113 Y N 3.019 123.339 120.300 0.033 0.000 2.301 113 Y HA 0.572 5.122 4.550 -0.000 0.000 0.328 113 Y C 0.607 176.539 175.900 0.055 0.000 1.242 113 Y CA -0.221 57.905 58.100 0.043 0.000 1.323 113 Y CB 0.794 39.269 38.460 0.026 0.000 1.266 113 Y HN 0.273 nan 8.280 nan 0.000 0.527 114 S N -0.562 115.268 115.700 0.217 0.000 2.608 114 S HA 0.517 4.987 4.470 -0.000 0.000 0.285 114 S C -1.295 173.334 174.600 0.048 0.000 1.108 114 S CA -1.150 57.100 58.200 0.084 0.000 0.858 114 S CB 1.220 64.408 63.200 -0.018 0.000 1.077 114 S HN 0.497 nan 8.310 nan 0.000 0.450 115 T N 2.609 117.077 114.554 -0.142 0.000 2.841 115 T HA 0.677 5.027 4.350 -0.000 0.000 0.285 115 T C -1.497 172.932 174.700 -0.452 0.000 0.991 115 T CA -0.304 61.697 62.100 -0.164 0.000 0.966 115 T CB 0.512 69.288 68.868 -0.154 0.000 0.962 115 T HN 0.553 nan 8.240 nan 0.000 0.438 116 Y N 0.706 120.911 120.300 -0.159 0.000 2.621 116 Y HA 0.475 5.025 4.550 -0.000 0.000 0.334 116 Y C 0.835 176.571 175.900 -0.274 0.000 1.074 116 Y CA -1.197 56.822 58.100 -0.136 0.000 1.149 116 Y CB 1.207 39.639 38.460 -0.048 0.000 1.302 116 Y HN 0.552 nan 8.280 nan 0.000 0.501 117 H N 1.934 121.024 119.070 0.032 0.000 2.476 117 H HA 0.392 4.948 4.556 -0.000 0.000 0.328 117 H C -1.263 173.940 175.328 -0.207 0.000 1.073 117 H CA -0.670 55.280 56.048 -0.163 0.000 1.229 117 H CB 2.103 31.761 29.762 -0.174 0.000 1.432 117 H HN 0.403 nan 8.280 nan 0.000 0.477 118 L N 3.425 124.495 121.223 -0.254 0.000 2.329 118 L HA 0.432 4.772 4.340 -0.000 0.000 0.279 118 L C -1.570 175.074 176.870 -0.378 0.000 1.014 118 L CA -0.406 54.332 54.840 -0.170 0.000 0.814 118 L CB 0.864 42.876 42.059 -0.078 0.000 1.257 118 L HN 0.358 nan 8.230 nan 0.000 0.424 119 F N 5.518 125.508 119.950 0.068 0.000 2.443 119 F HA 0.535 5.062 4.527 0.000 0.000 0.369 119 F C -2.043 173.780 175.800 0.039 0.000 1.090 119 F CA -1.599 56.434 58.000 0.054 0.000 1.129 119 F CB 0.881 39.905 39.000 0.041 0.000 1.367 119 F HN 0.433 nan 8.300 nan 0.000 0.465 120 P HA 0.244 nan 4.420 nan 0.000 0.276 120 P C -2.506 174.850 177.300 0.092 0.000 1.261 120 P CA -1.395 61.767 63.100 0.103 0.000 0.800 120 P CB -0.021 31.730 31.700 0.085 0.000 1.066 121 P HA 0.099 nan 4.420 nan 0.000 0.272 121 P C 1.009 178.330 177.300 0.035 0.000 1.230 121 P CA -0.246 62.880 63.100 0.044 0.000 0.788 121 P CB 0.724 32.443 31.700 0.031 0.000 0.949 122 R N 0.941 121.454 120.500 0.022 0.000 2.224 122 R HA -0.285 4.055 4.340 -0.000 0.000 0.255 122 R C 1.971 178.271 176.300 0.001 0.000 1.130 122 R CA 2.147 58.251 56.100 0.008 0.000 0.957 122 R CB -0.580 29.719 30.300 -0.001 0.000 0.907 122 R HN 0.527 nan 8.270 nan 0.000 0.446 123 Q N 0.309 120.110 119.800 0.003 0.000 2.291 123 Q HA -0.132 4.208 4.340 -0.000 0.000 0.206 123 Q C 1.555 177.551 176.000 -0.005 0.000 0.976 123 Q CA 1.132 56.932 55.803 -0.004 0.000 0.875 123 Q CB 0.123 28.862 28.738 0.001 0.000 0.927 123 Q HN 0.358 nan 8.270 nan 0.000 0.450 124 L N 0.689 121.917 121.223 0.008 0.000 2.607 124 L HA 0.070 4.410 4.340 -0.000 0.000 0.228 124 L C 0.803 177.657 176.870 -0.027 0.000 1.123 124 L CA 0.234 55.080 54.840 0.008 0.000 0.890 124 L CB 0.163 42.259 42.059 0.062 0.000 1.103 124 L HN -0.019 nan 8.230 nan 0.000 0.468 125 N N -1.101 117.584 118.700 -0.025 0.000 2.230 125 N HA -0.002 4.738 4.740 -0.000 0.000 0.202 125 N C 0.189 175.663 175.510 -0.059 0.000 1.119 125 N CA 0.003 53.032 53.050 -0.035 0.000 0.851 125 N CB 0.013 38.499 38.487 -0.002 0.000 0.990 125 N HN 0.166 nan 8.380 nan 0.000 0.497 126 D N 1.284 121.641 120.400 -0.071 0.000 2.586 126 D HA -0.048 4.592 4.640 -0.000 0.000 0.234 126 D C -0.509 175.733 176.300 -0.096 0.000 1.132 126 D CA 0.528 54.479 54.000 -0.082 0.000 0.860 126 D CB 0.799 41.546 40.800 -0.088 0.000 1.159 126 D HN -0.203 nan 8.370 nan 0.000 0.490 127 V N 5.327 125.187 119.914 -0.091 0.000 2.417 127 V HA 0.188 4.308 4.120 -0.000 0.000 0.291 127 V C 0.485 176.516 176.094 -0.106 0.000 1.024 127 V CA -0.925 61.316 62.300 -0.098 0.000 0.861 127 V CB 1.772 33.541 31.823 -0.089 0.000 0.985 127 V HN 0.456 nan 8.190 nan 0.000 0.436 128 K N 3.250 123.583 120.400 -0.111 0.000 2.312 128 K HA 0.367 4.687 4.320 -0.000 0.000 0.287 128 K C -0.645 175.875 176.600 -0.133 0.000 1.062 128 K CA 0.002 56.220 56.287 -0.116 0.000 0.934 128 K CB 0.631 33.069 32.500 -0.103 0.000 1.027 128 K HN 0.741 nan 8.250 nan 0.000 0.478 129 T N 3.351 117.826 114.554 -0.132 0.000 2.809 129 T HA 0.255 4.605 4.350 -0.000 0.000 0.284 129 T C -0.929 173.691 174.700 -0.134 0.000 0.992 129 T CA -0.488 61.528 62.100 -0.141 0.000 0.957 129 T CB 1.604 70.394 68.868 -0.130 0.000 0.942 129 T HN 0.487 nan 8.240 nan 0.000 0.439 130 T N 2.729 117.195 114.554 -0.146 0.000 2.841 130 T HA 0.609 4.959 4.350 -0.000 0.000 0.283 130 T C -0.487 174.169 174.700 -0.073 0.000 1.000 130 T CA -0.546 61.482 62.100 -0.120 0.000 0.977 130 T CB 1.477 70.251 68.868 -0.157 0.000 0.979 130 T HN 0.316 nan 8.240 nan 0.000 0.446 131 V N 3.536 123.440 119.914 -0.016 0.000 2.495 131 V HA 0.503 4.623 4.120 -0.000 0.000 0.298 131 V C -0.447 175.715 176.094 0.112 0.000 1.031 131 V CA -0.732 61.621 62.300 0.088 0.000 0.871 131 V CB 1.990 33.878 31.823 0.108 0.000 0.988 131 V HN 0.729 nan 8.190 nan 0.000 0.432 132 V N 5.871 125.877 119.914 0.154 0.000 2.357 132 V HA 0.540 4.660 4.120 -0.000 0.000 0.284 132 V C -0.987 175.224 176.094 0.195 0.000 1.018 132 V CA -0.628 61.728 62.300 0.092 0.000 0.841 132 V CB 1.066 32.878 31.823 -0.018 0.000 0.991 132 V HN 0.807 nan 8.190 nan 0.000 0.437 133 Y N 6.365 126.701 120.300 0.059 0.000 2.390 133 Y HA 0.709 5.259 4.550 -0.000 0.000 0.324 133 Y C -2.851 173.102 175.900 0.088 0.000 1.151 133 Y CA -2.313 55.855 58.100 0.113 0.000 1.053 133 Y CB 1.765 40.401 38.460 0.293 0.000 1.277 133 Y HN 0.590 nan 8.280 nan 0.000 0.432 134 P HA 0.551 nan 4.420 nan 0.000 0.271 134 P C -1.183 176.035 177.300 -0.136 0.000 1.218 134 P CA -0.267 62.604 63.100 -0.383 0.000 0.780 134 P CB 0.978 32.488 31.700 -0.316 0.000 0.901 135 A N 1.641 124.436 122.820 -0.042 0.000 2.309 135 A HA 0.569 4.889 4.320 -0.000 0.000 0.298 135 A C 0.567 178.147 177.584 -0.007 0.000 1.165 135 A CA -0.360 51.617 52.037 -0.100 0.000 0.821 135 A CB 0.062 19.034 19.000 -0.047 0.000 1.102 135 A HN 0.646 nan 8.150 nan 0.000 0.500 136 T N -0.603 114.038 114.554 0.146 0.000 2.847 136 T HA 0.325 4.675 4.350 -0.000 0.000 0.279 136 T C 0.910 175.659 174.700 0.080 0.000 0.984 136 T CA 0.096 62.284 62.100 0.146 0.000 0.988 136 T CB 0.959 69.949 68.868 0.202 0.000 1.040 136 T HN 0.592 nan 8.240 nan 0.000 0.528 137 E N 0.677 120.889 120.200 0.020 0.000 2.130 137 E HA -0.179 4.171 4.350 -0.000 0.000 0.196 137 E C 1.824 178.395 176.600 -0.048 0.000 0.998 137 E CA 1.736 58.126 56.400 -0.018 0.000 0.806 137 E CB -0.330 29.362 29.700 -0.014 0.000 0.738 137 E HN 0.750 nan 8.360 nan 0.000 0.459 138 K N -1.337 119.023 120.400 -0.066 0.000 2.217 138 K HA -0.080 4.240 4.320 -0.000 0.000 0.202 138 K C 2.076 178.502 176.600 -0.290 0.000 1.051 138 K CA 1.091 57.276 56.287 -0.169 0.000 0.952 138 K CB -0.225 32.156 32.500 -0.197 0.000 0.736 138 K HN 0.329 nan 8.250 nan 0.000 0.453 139 H N 1.209 120.155 119.070 -0.206 0.000 2.293 139 H HA -0.069 4.487 4.556 -0.000 0.000 0.300 139 H C 2.049 177.135 175.328 -0.404 0.000 1.082 139 H CA 1.514 57.334 56.048 -0.379 0.000 1.308 139 H CB -0.267 29.395 29.762 -0.166 0.000 1.375 139 H HN -0.010 nan 8.280 nan 0.000 0.495 140 L N 0.160 121.347 121.223 -0.061 0.000 2.043 140 L HA -0.266 4.074 4.340 -0.000 0.000 0.212 140 L C 2.504 179.328 176.870 -0.077 0.000 1.075 140 L CA 1.135 55.937 54.840 -0.064 0.000 0.752 140 L CB -0.390 41.594 42.059 -0.124 0.000 0.891 140 L HN 0.354 nan 8.230 nan 0.000 0.432 141 Q N 0.352 120.083 119.800 -0.115 0.000 2.020 141 Q HA -0.187 4.153 4.340 -0.000 0.000 0.202 141 Q C 2.249 178.159 176.000 -0.151 0.000 0.982 141 Q CA 1.547 57.283 55.803 -0.111 0.000 0.838 141 Q CB -0.233 28.445 28.738 -0.099 0.000 0.899 141 Q HN 0.488 nan 8.270 nan 0.000 0.423 142 K N -0.301 119.939 120.400 -0.267 0.000 2.097 142 K HA -0.128 4.192 4.320 -0.000 0.000 0.206 142 K C 2.016 178.497 176.600 -0.199 0.000 1.049 142 K CA 1.130 57.246 56.287 -0.284 0.000 0.933 142 K CB -0.118 32.129 32.500 -0.422 0.000 0.717 142 K HN 0.348 nan 8.250 nan 0.000 0.442 143 Y N 0.429 120.690 120.300 -0.065 0.000 2.544 143 Y HA 0.004 4.553 4.550 -0.000 0.000 0.286 143 Y C 0.851 176.604 175.900 -0.244 0.000 1.141 143 Y CA -0.977 57.019 58.100 -0.175 0.000 1.299 143 Y CB 0.230 38.674 38.460 -0.027 0.000 1.030 143 Y HN -0.014 nan 8.280 nan 0.000 0.543 144 L N 1.728 122.946 121.223 -0.008 0.000 2.456 144 L HA 0.058 4.398 4.340 -0.000 0.000 0.272 144 L C 0.529 177.360 176.870 -0.066 0.000 1.189 144 L CA -0.349 54.474 54.840 -0.028 0.000 0.846 144 L CB 0.332 42.386 42.059 -0.009 0.000 1.111 144 L HN 0.201 nan 8.230 nan 0.000 0.475 145 R N 4.197 124.661 120.500 -0.059 0.000 1.748 145 R HA -0.211 4.129 4.340 -0.000 0.000 0.182 145 R C -0.517 175.760 176.300 -0.037 0.000 0.538 145 R CA 0.238 56.314 56.100 -0.040 0.000 0.416 145 R CB -1.467 28.824 30.300 -0.015 0.000 1.639 145 R HN 0.584 nan 8.270 nan 0.000 0.564 146 Q N 1.798 121.570 119.800 -0.048 0.000 2.413 146 Q HA -0.095 4.245 4.340 -0.000 0.000 0.298 146 Q C 0.112 176.099 176.000 -0.021 0.000 1.186 146 Q CA 0.868 56.651 55.803 -0.034 0.000 1.014 146 Q CB 0.107 28.823 28.738 -0.035 0.000 1.130 146 Q HN 0.262 nan 8.270 nan 0.000 0.410 147 D N 3.876 124.266 120.400 -0.018 0.000 2.477 147 D HA 0.336 4.976 4.640 -0.000 0.000 0.239 147 D C -0.902 175.391 176.300 -0.012 0.000 1.102 147 D CA -0.341 53.652 54.000 -0.013 0.000 0.901 147 D CB 0.192 40.985 40.800 -0.011 0.000 1.026 147 D HN 0.327 nan 8.370 nan 0.000 0.515 148 L N 2.960 124.177 121.223 -0.010 0.000 2.360 148 L HA 0.638 4.978 4.340 -0.000 0.000 0.271 148 L C 0.426 177.290 176.870 -0.009 0.000 1.057 148 L CA -0.957 53.879 54.840 -0.007 0.000 0.803 148 L CB 1.238 43.294 42.059 -0.004 0.000 1.207 148 L HN 0.119 nan 8.230 nan 0.000 0.445 149 R N 1.940 122.435 120.500 -0.010 0.000 2.621 149 R HA 0.489 4.828 4.340 -0.000 0.000 0.284 149 R C -1.238 175.041 176.300 -0.035 0.000 0.998 149 R CA -1.015 55.071 56.100 -0.022 0.000 0.895 149 R CB 1.910 32.195 30.300 -0.025 0.000 1.195 149 R HN 0.259 nan 8.270 nan 0.000 0.450 150 L N 2.651 123.845 121.223 -0.050 0.000 2.417 150 L HA 0.476 4.816 4.340 -0.000 0.000 0.268 150 L C -0.160 176.624 176.870 -0.144 0.000 1.158 150 L CA -0.418 54.371 54.840 -0.084 0.000 0.819 150 L CB 0.627 42.650 42.059 -0.061 0.000 1.112 150 L HN 0.638 nan 8.230 nan 0.000 0.458 151 I N 3.118 123.526 120.570 -0.269 0.000 2.722 151 I HA 0.416 4.586 4.170 -0.000 0.000 0.295 151 I C -0.926 174.968 176.117 -0.372 0.000 1.161 151 I CA -0.427 60.679 61.300 -0.323 0.000 1.032 151 I CB 1.609 39.385 38.000 -0.374 0.000 1.244 151 I HN 0.553 nan 8.210 nan 0.000 0.421 152 R N 5.665 126.042 120.500 -0.206 0.000 2.265 152 R HA 0.392 4.732 4.340 -0.000 0.000 0.328 152 R C -0.804 175.457 176.300 -0.065 0.000 0.969 152 R CA -0.648 55.378 56.100 -0.124 0.000 0.832 152 R CB 1.387 31.652 30.300 -0.057 0.000 1.139 152 R HN 0.544 nan 8.270 nan 0.000 0.457 153 E N 3.474 123.678 120.200 0.008 0.000 2.113 153 E HA 0.110 4.460 4.350 -0.000 0.000 0.273 153 E C -0.445 176.238 176.600 0.138 0.000 0.924 153 E CA -0.479 55.996 56.400 0.126 0.000 0.764 153 E CB 1.225 31.137 29.700 0.353 0.000 1.104 153 E HN 0.575 nan 8.360 nan 0.000 0.406 154 T N 1.138 115.755 114.554 0.104 0.000 2.860 154 T HA 0.210 4.560 4.350 -0.000 0.000 0.299 154 T C 1.424 176.197 174.700 0.122 0.000 1.045 154 T CA -0.159 61.988 62.100 0.077 0.000 1.071 154 T CB 1.425 70.324 68.868 0.052 0.000 0.985 154 T HN 0.507 nan 8.240 nan 0.000 0.537 155 G N 0.634 109.484 108.800 0.083 0.000 2.503 155 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.221 155 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.221 155 G C 1.212 176.218 174.900 0.177 0.000 1.131 155 G CA 0.785 45.958 45.100 0.123 0.000 0.756 155 G HN 0.806 nan 8.290 nan 0.000 0.572 156 D N 0.629 121.097 120.400 0.114 0.000 2.110 156 D HA -0.057 4.583 4.640 -0.000 0.000 0.202 156 D C 2.107 178.466 176.300 0.098 0.000 0.975 156 D CA 0.694 54.748 54.000 0.089 0.000 0.839 156 D CB -0.294 40.538 40.800 0.054 0.000 0.996 156 D HN 0.121 nan 8.370 nan 0.000 0.464 157 D N -0.179 120.286 120.400 0.108 0.000 2.239 157 D HA -0.211 4.429 4.640 -0.000 0.000 0.202 157 D C 1.824 178.220 176.300 0.161 0.000 0.993 157 D CA 0.798 54.868 54.000 0.118 0.000 0.874 157 D CB -0.214 40.661 40.800 0.126 0.000 0.922 157 D HN 0.360 nan 8.370 nan 0.000 0.464 158 Y N 1.301 121.667 120.300 0.110 0.000 2.176 158 Y HA -0.011 4.539 4.550 -0.000 0.000 0.291 158 Y C 2.393 178.352 175.900 0.098 0.000 1.122 158 Y CA 1.190 59.371 58.100 0.135 0.000 1.128 158 Y CB -0.111 38.444 38.460 0.157 0.000 1.005 158 Y HN -0.249 nan 8.280 nan 0.000 0.509 159 R N 0.152 120.633 120.500 -0.032 0.000 2.105 159 R HA -0.161 4.179 4.340 -0.000 0.000 0.239 159 R C 1.599 177.816 176.300 -0.138 0.000 1.135 159 R CA 1.663 57.684 56.100 -0.132 0.000 0.967 159 R CB -0.220 30.094 30.300 0.024 0.000 0.861 159 R HN 0.393 nan 8.270 nan 0.000 0.442 160 N N -0.772 117.895 118.700 -0.055 0.000 2.409 160 N HA 0.065 4.805 4.740 -0.000 0.000 0.174 160 N C 1.410 176.917 175.510 -0.004 0.000 1.037 160 N CA 0.861 53.897 53.050 -0.023 0.000 0.898 160 N CB 0.545 39.039 38.487 0.012 0.000 1.010 160 N HN 0.172 nan 8.380 nan 0.000 0.445 161 I N -0.566 120.010 120.570 0.009 0.000 3.650 161 I HA 0.031 4.201 4.170 -0.000 0.000 0.261 161 I C 1.479 177.660 176.117 0.106 0.000 1.154 161 I CA 0.644 61.999 61.300 0.092 0.000 1.418 161 I CB -0.693 37.352 38.000 0.075 0.000 1.539 161 I HN -0.075 nan 8.210 nan 0.000 0.449 162 T N 2.726 117.295 114.554 0.025 0.000 2.668 162 T HA -0.086 4.264 4.350 -0.000 0.000 0.262 162 T C 2.062 176.678 174.700 -0.139 0.000 1.045 162 T CA 1.091 63.203 62.100 0.020 0.000 1.152 162 T CB -0.433 68.543 68.868 0.180 0.000 0.864 162 T HN 0.127 nan 8.240 nan 0.000 0.419 163 L N 1.787 122.729 121.223 -0.468 0.000 1.978 163 L HA -0.126 4.214 4.340 -0.000 0.000 0.218 163 L C -0.462 176.274 176.870 -0.223 0.000 1.075 163 L CA 2.141 56.719 54.840 -0.437 0.000 0.767 163 L CB -1.422 40.273 42.059 -0.608 0.000 0.890 163 L HN 0.245 nan 8.230 nan 0.000 0.434 164 P HA -0.129 nan 4.420 nan 0.000 0.226 164 P C 0.525 177.645 177.300 -0.300 0.000 1.153 164 P CA 1.477 64.441 63.100 -0.228 0.000 0.777 164 P CB -0.305 31.252 31.700 -0.239 0.000 0.794 165 H N -1.559 117.443 119.070 -0.113 0.000 2.538 165 H HA 0.163 4.719 4.556 -0.000 0.000 0.286 165 H C 1.627 176.876 175.328 -0.132 0.000 1.035 165 H CA -0.338 55.652 56.048 -0.098 0.000 1.169 165 H CB -0.326 29.394 29.762 -0.070 0.000 1.417 165 H HN -0.071 nan 8.280 nan 0.000 0.567 166 L N 0.609 121.769 121.223 -0.105 0.000 2.012 166 L HA -0.196 4.144 4.340 -0.000 0.000 0.210 166 L C 2.345 179.086 176.870 -0.216 0.000 1.073 166 L CA 1.679 56.384 54.840 -0.226 0.000 0.748 166 L CB -0.274 41.611 42.059 -0.291 0.000 0.891 166 L HN 0.348 nan 8.230 nan 0.000 0.431 167 E N -0.335 119.786 120.200 -0.131 0.000 2.136 167 E HA -0.306 4.044 4.350 -0.000 0.000 0.208 167 E C 2.286 178.840 176.600 -0.077 0.000 1.035 167 E CA 2.009 58.356 56.400 -0.088 0.000 0.838 167 E CB -0.326 29.343 29.700 -0.051 0.000 0.748 167 E HN 0.700 nan 8.360 nan 0.000 0.459 168 S N 0.137 115.807 115.700 -0.049 0.000 2.419 168 S HA -0.139 4.331 4.470 -0.000 0.000 0.233 168 S C 1.709 176.270 174.600 -0.065 0.000 1.016 168 S CA 0.798 58.974 58.200 -0.039 0.000 0.974 168 S CB -0.025 63.174 63.200 -0.002 0.000 0.786 168 S HN 0.098 nan 8.310 nan 0.000 0.492 169 Q N 1.580 121.325 119.800 -0.091 0.000 2.432 169 Q HA 0.245 4.585 4.340 -0.000 0.000 0.205 169 Q C 0.902 176.889 176.000 -0.021 0.000 0.945 169 Q CA 0.549 56.309 55.803 -0.071 0.000 0.924 169 Q CB 0.096 28.789 28.738 -0.074 0.000 1.016 169 Q HN 0.775 nan 8.270 nan 0.000 0.503 170 S N -0.497 115.167 115.700 -0.060 0.000 2.501 170 S HA 0.681 5.151 4.470 -0.000 0.000 0.301 170 S C -0.348 174.252 174.600 -0.000 0.000 1.096 170 S CA -0.794 57.429 58.200 0.039 0.000 1.063 170 S CB 1.372 64.545 63.200 -0.046 0.000 1.042 170 S HN 0.111 nan 8.310 nan 0.000 0.494 171 L N 2.262 123.492 121.223 0.011 0.000 2.330 171 L HA 0.529 4.869 4.340 -0.000 0.000 0.271 171 L C 0.709 177.717 176.870 0.229 0.000 1.013 171 L CA -0.908 53.949 54.840 0.029 0.000 0.816 171 L CB 1.872 43.858 42.059 -0.122 0.000 1.287 171 L HN 0.894 nan 8.230 nan 0.000 0.435 172 S N 1.917 117.751 115.700 0.224 0.000 2.810 172 S HA -0.036 4.434 4.470 -0.000 0.000 0.329 172 S C 0.742 175.517 174.600 0.292 0.000 1.231 172 S CA -0.189 58.153 58.200 0.235 0.000 1.042 172 S CB -0.081 63.253 63.200 0.222 0.000 0.756 172 S HN 0.508 nan 8.310 nan 0.000 0.504 173 I N 2.768 123.370 120.570 0.053 0.000 3.858 173 I HA 0.295 4.465 4.170 -0.000 0.000 0.325 173 I C 1.621 177.435 176.117 -0.505 0.000 1.403 173 I CA -0.334 60.766 61.300 -0.334 0.000 1.169 173 I CB -0.096 37.615 38.000 -0.480 0.000 1.077 173 I HN 0.543 nan 8.210 nan 0.000 0.403 174 Q N 2.570 122.313 119.800 -0.095 0.000 2.181 174 Q HA -0.196 4.144 4.340 -0.000 0.000 0.205 174 Q C 1.923 177.907 176.000 -0.028 0.000 0.980 174 Q CA 2.629 58.446 55.803 0.023 0.000 0.862 174 Q CB -0.367 28.459 28.738 0.146 0.000 0.905 174 Q HN 0.852 nan 8.270 nan 0.000 0.429 175 W N -1.141 120.101 121.300 -0.098 0.000 2.374 175 W HA -0.076 4.584 4.660 -0.000 0.000 0.288 175 W C 1.321 177.739 176.519 -0.169 0.000 1.218 175 W CA 0.949 58.225 57.345 -0.116 0.000 1.245 175 W CB -0.952 28.410 29.460 -0.164 0.000 1.126 175 W HN -0.012 nan 8.180 nan 0.000 0.545 176 V N 1.590 120.824 119.914 -1.133 0.000 2.261 176 V HA -0.337 3.783 4.120 -0.000 0.000 0.246 176 V C 2.403 178.172 176.094 -0.543 0.000 1.047 176 V CA 2.173 63.739 62.300 -1.222 0.000 1.015 176 V CB -1.445 29.408 31.823 -1.616 0.000 0.642 176 V HN 0.126 nan 8.190 nan 0.000 0.446 177 Y N 0.628 120.719 120.300 -0.348 0.000 2.193 177 Y HA -0.260 4.290 4.550 -0.000 0.000 0.285 177 Y C 2.697 178.540 175.900 -0.095 0.000 1.166 177 Y CA 1.256 59.257 58.100 -0.165 0.000 1.181 177 Y CB -0.379 38.027 38.460 -0.091 0.000 0.976 177 Y HN 0.331 nan 8.280 nan 0.000 0.520 178 N N 0.417 119.170 118.700 0.088 0.000 2.223 178 N HA -0.149 4.591 4.740 -0.000 0.000 0.185 178 N C 1.673 177.213 175.510 0.049 0.000 1.016 178 N CA 1.295 54.392 53.050 0.079 0.000 0.863 178 N CB -0.325 38.218 38.487 0.093 0.000 0.983 178 N HN 0.405 nan 8.380 nan 0.000 0.429 179 I N 0.495 121.074 120.570 0.015 0.000 2.277 179 I HA -0.141 4.029 4.170 -0.000 0.000 0.243 179 I C 1.941 178.051 176.117 -0.012 0.000 1.094 179 I CA 0.582 61.885 61.300 0.006 0.000 1.393 179 I CB -0.084 37.912 38.000 -0.006 0.000 1.078 179 I HN 0.024 nan 8.210 nan 0.000 0.417 180 L N 0.285 121.490 121.223 -0.030 0.000 2.131 180 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 180 L C 1.401 178.343 176.870 0.119 0.000 1.092 180 L CA 1.120 55.968 54.840 0.013 0.000 0.759 180 L CB -0.524 41.565 42.059 0.051 0.000 0.903 180 L HN 0.261 nan 8.230 nan 0.000 0.435 181 D N -0.593 119.857 120.400 0.082 0.000 2.340 181 D HA -0.020 4.620 4.640 -0.000 0.000 0.220 181 D C 0.503 176.828 176.300 0.042 0.000 1.039 181 D CA 0.157 54.194 54.000 0.061 0.000 0.866 181 D CB 0.234 41.061 40.800 0.045 0.000 0.913 181 D HN -0.013 nan 8.370 nan 0.000 0.523 182 K N -0.371 120.053 120.400 0.040 0.000 3.230 182 K HA -0.208 4.112 4.320 -0.000 0.000 0.285 182 K C 0.681 177.294 176.600 0.022 0.000 1.196 182 K CA 0.440 56.742 56.287 0.024 0.000 0.838 182 K CB -2.047 30.463 32.500 0.016 0.000 1.262 182 K HN 0.320 nan 8.250 nan 0.000 0.492 183 K N -0.503 119.916 120.400 0.031 0.000 2.352 183 K HA 0.241 4.561 4.320 -0.000 0.000 0.194 183 K C 0.601 177.222 176.600 0.034 0.000 1.038 183 K CA 0.824 57.130 56.287 0.031 0.000 1.023 183 K CB 0.737 33.260 32.500 0.038 0.000 0.840 183 K HN 0.323 nan 8.250 nan 0.000 0.519 184 A N 0.762 123.606 122.820 0.040 0.000 2.515 184 A HA 0.415 4.735 4.320 -0.000 0.000 0.298 184 A C -0.739 176.866 177.584 0.035 0.000 1.059 184 A CA -0.503 51.558 52.037 0.040 0.000 0.698 184 A CB 1.053 20.088 19.000 0.058 0.000 1.289 184 A HN 0.304 nan 8.150 nan 0.000 0.404 185 E N -0.733 119.481 120.200 0.024 0.000 3.801 185 E HA -0.317 4.033 4.350 -0.000 0.000 0.319 185 E C 1.250 177.858 176.600 0.014 0.000 0.784 185 E CA 0.853 57.265 56.400 0.020 0.000 1.183 185 E CB -1.916 27.807 29.700 0.038 0.000 1.601 185 E HN 1.210 nan 8.360 nan 0.000 0.441 186 A N 1.773 124.598 122.820 0.009 0.000 1.908 186 A HA -0.241 4.079 4.320 -0.000 0.000 0.218 186 A C 1.782 179.363 177.584 -0.005 0.000 1.181 186 A CA 2.066 54.103 52.037 0.000 0.000 0.627 186 A CB -0.372 18.627 19.000 -0.002 0.000 0.818 186 A HN 0.429 nan 8.150 nan 0.000 0.445 187 D N -1.074 119.322 120.400 -0.006 0.000 2.363 187 D HA -0.033 4.607 4.640 -0.000 0.000 0.226 187 D C 1.420 177.718 176.300 -0.005 0.000 1.020 187 D CA 0.399 54.394 54.000 -0.009 0.000 0.892 187 D CB -0.355 40.437 40.800 -0.013 0.000 0.900 187 D HN 0.506 nan 8.370 nan 0.000 0.531 188 R N -0.226 120.277 120.500 0.004 0.000 2.308 188 R HA 0.334 4.674 4.340 -0.000 0.000 0.202 188 R C 0.626 176.948 176.300 0.036 0.000 0.898 188 R CA -0.365 55.745 56.100 0.017 0.000 1.046 188 R CB 0.475 30.786 30.300 0.018 0.000 1.026 188 R HN 0.160 nan 8.270 nan 0.000 0.512 189 I N 1.529 122.111 120.570 0.020 0.000 2.828 189 I HA -0.190 3.980 4.170 -0.000 0.000 0.292 189 I C 1.364 177.501 176.117 0.035 0.000 1.206 189 I CA 0.218 61.527 61.300 0.016 0.000 1.420 189 I CB 0.954 38.936 38.000 -0.029 0.000 1.368 189 I HN -0.021 nan 8.210 nan 0.000 0.556 190 V N 7.708 127.669 119.914 0.079 0.000 2.725 190 V HA 0.003 4.123 4.120 -0.000 0.000 0.247 190 V C 0.207 176.391 176.094 0.150 0.000 1.058 190 V CA 1.031 63.397 62.300 0.110 0.000 1.080 190 V CB -0.179 31.753 31.823 0.181 0.000 0.713 190 V HN 0.644 nan 8.190 nan 0.000 0.465 191 F N -0.232 119.677 119.950 -0.068 0.000 2.665 191 F HA 0.607 5.134 4.527 -0.000 0.000 0.308 191 F C -1.033 174.622 175.800 -0.243 0.000 1.112 191 F CA -1.006 56.915 58.000 -0.131 0.000 0.972 191 F CB 1.668 40.598 39.000 -0.117 0.000 1.295 191 F HN -0.057 nan 8.300 nan 0.000 0.440 192 E N 3.747 123.114 120.200 -1.388 0.000 2.263 192 E HA 0.256 4.606 4.350 -0.000 0.000 0.268 192 E C -1.866 173.891 176.600 -1.405 0.000 0.884 192 E CA -0.834 54.874 56.400 -1.155 0.000 0.766 192 E CB 1.368 30.763 29.700 -0.508 0.000 1.196 192 E HN 0.576 nan 8.360 nan 0.000 0.416 193 N N 5.883 123.984 118.700 -0.998 0.000 2.462 193 N HA 0.204 4.943 4.740 -0.000 0.000 0.242 193 N C -1.979 173.464 175.510 -0.113 0.000 1.010 193 N CA -2.163 50.667 53.050 -0.366 0.000 0.939 193 N CB 1.419 39.908 38.487 0.003 0.000 1.127 193 N HN 0.370 nan 8.380 nan 0.000 0.509 194 P HA 0.042 nan 4.420 nan 0.000 0.249 194 P C -0.241 176.966 177.300 -0.155 0.000 1.229 194 P CA -0.000 63.016 63.100 -0.139 0.000 0.788 194 P CB 0.168 31.770 31.700 -0.164 0.000 1.072 195 D N 1.729 122.111 120.400 -0.030 0.000 2.586 195 D HA -0.054 4.586 4.640 -0.000 0.000 0.234 195 D C -1.261 175.043 176.300 0.005 0.000 1.132 195 D CA -0.907 53.093 54.000 0.001 0.000 0.860 195 D CB 0.734 41.576 40.800 0.070 0.000 1.159 195 D HN 0.026 nan 8.370 nan 0.000 0.490 196 P HA -0.115 nan 4.420 nan 0.000 0.220 196 P C 0.790 178.141 177.300 0.086 0.000 1.148 196 P CA 0.673 63.767 63.100 -0.010 0.000 0.803 196 P CB 0.269 31.956 31.700 -0.022 0.000 0.782 197 S N -1.915 113.837 115.700 0.088 0.000 2.502 197 S HA 0.024 4.494 4.470 -0.000 0.000 0.228 197 S C 1.132 175.823 174.600 0.152 0.000 1.061 197 S CA 0.503 58.770 58.200 0.110 0.000 0.935 197 S CB -0.335 62.911 63.200 0.077 0.000 0.809 197 S HN -0.074 nan 8.310 nan 0.000 0.510 198 D N 0.917 121.413 120.400 0.160 0.000 2.469 198 D HA 0.325 4.965 4.640 -0.000 0.000 0.215 198 D C 0.528 176.998 176.300 0.283 0.000 1.154 198 D CA 0.079 54.194 54.000 0.192 0.000 0.832 198 D CB 0.766 41.662 40.800 0.161 0.000 1.008 198 D HN 0.409 nan 8.370 nan 0.000 0.506 199 G N 0.412 109.394 108.800 0.303 0.000 2.552 199 G HA2 0.647 4.607 3.960 -0.000 0.000 0.318 199 G HA3 0.647 4.607 3.960 -0.000 0.000 0.318 199 G C -0.648 174.555 174.900 0.507 0.000 1.240 199 G CA -0.663 44.663 45.100 0.377 0.000 1.002 199 G HN 0.103 nan 8.290 nan 0.000 0.493 200 F N -2.964 117.102 119.950 0.193 0.000 2.829 200 F HA 0.589 5.116 4.527 -0.000 0.000 0.319 200 F C -1.642 174.125 175.800 -0.055 0.000 1.153 200 F CA -1.396 56.623 58.000 0.032 0.000 0.912 200 F CB 1.061 40.122 39.000 0.102 0.000 1.292 200 F HN 0.484 nan 8.300 nan 0.000 0.447 201 V N 2.631 122.513 119.914 -0.053 0.000 2.555 201 V HA 0.644 4.764 4.120 -0.000 0.000 0.302 201 V C -1.122 175.057 176.094 0.141 0.000 1.038 201 V CA -0.694 61.524 62.300 -0.137 0.000 0.887 201 V CB 1.642 33.358 31.823 -0.180 0.000 0.991 201 V HN 0.811 nan 8.190 nan 0.000 0.434 202 L N 7.224 128.519 121.223 0.120 0.000 2.305 202 L HA 0.737 5.077 4.340 -0.000 0.000 0.284 202 L C -0.580 176.359 176.870 0.114 0.000 1.013 202 L CA 0.038 54.992 54.840 0.189 0.000 0.819 202 L CB 1.104 43.311 42.059 0.246 0.000 1.227 202 L HN 0.624 nan 8.230 nan 0.000 0.417 203 I N 2.392 123.031 120.570 0.115 0.000 2.994 203 I HA 0.625 4.795 4.170 -0.000 0.000 0.306 203 I C -2.767 173.448 176.117 0.163 0.000 1.195 203 I CA -2.559 58.815 61.300 0.123 0.000 1.001 203 I CB 1.684 39.742 38.000 0.098 0.000 1.244 203 I HN 0.331 nan 8.210 nan 0.000 0.437 204 P HA 0.034 nan 4.420 nan 0.000 0.264 204 P C -0.385 177.019 177.300 0.172 0.000 1.193 204 P CA 0.312 63.597 63.100 0.308 0.000 0.763 204 P CB 0.355 32.217 31.700 0.270 0.000 0.810 205 D N 2.562 123.062 120.400 0.165 0.000 2.443 205 D HA -0.057 4.583 4.640 -0.000 0.000 0.239 205 D C 1.412 177.661 176.300 -0.085 0.000 1.136 205 D CA 0.008 53.978 54.000 -0.050 0.000 0.879 205 D CB 0.781 41.370 40.800 -0.350 0.000 1.195 205 D HN 0.332 nan 8.370 nan 0.000 0.443 206 L N 4.196 125.307 121.223 -0.187 0.000 2.089 206 L HA -0.236 4.104 4.340 -0.000 0.000 0.213 206 L C 1.944 178.734 176.870 -0.135 0.000 1.079 206 L CA 1.622 56.351 54.840 -0.185 0.000 0.758 206 L CB -0.060 41.833 42.059 -0.276 0.000 0.891 206 L HN 0.399 nan 8.230 nan 0.000 0.433 207 K N -1.364 118.932 120.400 -0.174 0.000 2.525 207 K HA -0.107 4.213 4.320 -0.000 0.000 0.192 207 K C -0.122 176.527 176.600 0.082 0.000 1.029 207 K CA 0.087 56.329 56.287 -0.076 0.000 1.029 207 K CB -0.051 32.392 32.500 -0.095 0.000 0.814 207 K HN 0.298 nan 8.250 nan 0.000 0.503 208 W N 2.814 124.043 121.300 -0.117 0.000 2.429 208 W HA 0.154 4.814 4.660 0.000 0.000 0.314 208 W C 0.230 176.705 176.519 -0.074 0.000 1.062 208 W CA -1.708 55.601 57.345 -0.061 0.000 1.211 208 W CB 0.571 30.024 29.460 -0.012 0.000 1.305 208 W HN 0.029 nan 8.180 nan 0.000 0.476 209 N N 3.024 121.585 118.700 -0.231 0.000 2.336 209 N HA -0.071 4.669 4.740 -0.000 0.000 0.189 209 N C 0.208 175.339 175.510 -0.633 0.000 1.113 209 N CA 0.600 53.445 53.050 -0.342 0.000 0.858 209 N CB -0.050 38.317 38.487 -0.200 0.000 0.970 209 N HN 0.754 nan 8.380 nan 0.000 0.471 210 Q N -1.968 117.002 119.800 -1.382 0.000 2.429 210 Q HA -0.182 4.158 4.340 -0.000 0.000 0.232 210 Q C 0.209 175.793 176.000 -0.695 0.000 0.724 210 Q CA 1.002 55.838 55.803 -1.612 0.000 1.287 210 Q CB -1.286 26.809 28.738 -1.071 0.000 1.429 210 Q HN 0.300 nan 8.270 nan 0.000 0.721 211 Q N -0.013 119.547 119.800 -0.400 0.000 2.376 211 Q HA 0.048 4.388 4.340 -0.000 0.000 0.206 211 Q C 0.804 176.785 176.000 -0.031 0.000 0.921 211 Q CA 1.116 56.820 55.803 -0.165 0.000 0.911 211 Q CB 0.494 29.156 28.738 -0.127 0.000 1.032 211 Q HN 0.622 nan 8.270 nan 0.000 0.510 212 Q N -1.096 118.757 119.800 0.088 0.000 2.511 212 Q HA 0.280 4.620 4.340 -0.000 0.000 0.289 212 Q C 0.124 176.319 176.000 0.324 0.000 1.021 212 Q CA -0.511 55.391 55.803 0.164 0.000 0.785 212 Q CB 0.618 29.416 28.738 0.099 0.000 1.472 212 Q HN 0.068 nan 8.270 nan 0.000 0.411 213 L N 0.415 121.760 121.223 0.204 0.000 2.509 213 L HA 0.039 4.379 4.340 -0.000 0.000 0.222 213 L C 0.552 177.417 176.870 -0.009 0.000 1.123 213 L CA 0.611 55.522 54.840 0.118 0.000 0.856 213 L CB -0.077 42.032 42.059 0.085 0.000 0.985 213 L HN 0.594 nan 8.230 nan 0.000 0.456 214 D N 0.433 120.840 120.400 0.012 0.000 2.219 214 D HA -0.165 4.475 4.640 -0.000 0.000 0.205 214 D C 0.827 177.024 176.300 -0.171 0.000 0.970 214 D CA 1.096 55.080 54.000 -0.028 0.000 0.851 214 D CB -0.078 40.728 40.800 0.009 0.000 0.943 214 D HN 0.433 nan 8.370 nan 0.000 0.488 215 D N 0.251 120.469 120.400 -0.304 0.000 2.670 215 D HA 0.027 4.667 4.640 -0.000 0.000 0.255 215 D C 0.394 176.233 176.300 -0.769 0.000 1.286 215 D CA -0.589 52.927 54.000 -0.807 0.000 0.830 215 D CB -0.861 39.252 40.800 -1.145 0.000 1.065 215 D HN 0.162 nan 8.370 nan 0.000 0.486 216 L N 1.268 122.016 121.223 -0.792 0.000 2.747 216 L HA -0.036 4.304 4.340 -0.000 0.000 0.286 216 L C -1.119 175.206 176.870 -0.907 0.000 1.216 216 L CA 0.653 54.614 54.840 -1.464 0.000 0.930 216 L CB 0.037 41.566 42.059 -0.884 0.000 1.216 216 L HN 0.249 nan 8.230 nan 0.000 0.486 217 Y N 5.443 125.041 120.300 -1.170 0.000 2.330 217 Y HA 0.517 5.067 4.550 -0.000 0.000 0.324 217 Y C -1.276 174.523 175.900 -0.167 0.000 1.093 217 Y CA -1.224 56.672 58.100 -0.340 0.000 1.103 217 Y CB 1.169 39.615 38.460 -0.023 0.000 1.183 217 Y HN 0.502 nan 8.280 nan 0.000 0.433 218 L N 5.953 127.342 121.223 0.276 0.000 2.323 218 L HA 0.641 4.981 4.340 -0.000 0.000 0.265 218 L C -1.202 175.841 176.870 0.289 0.000 1.012 218 L CA -0.877 54.107 54.840 0.239 0.000 0.820 218 L CB 2.195 44.299 42.059 0.075 0.000 1.334 218 L HN 0.603 nan 8.230 nan 0.000 0.427 219 I N 0.947 121.620 120.570 0.173 0.000 2.608 219 I HA 0.767 4.937 4.170 -0.000 0.000 0.295 219 I C -0.850 175.353 176.117 0.143 0.000 1.049 219 I CA -0.324 61.048 61.300 0.120 0.000 1.063 219 I CB 1.917 39.916 38.000 -0.002 0.000 1.248 219 I HN 0.588 nan 8.210 nan 0.000 0.424 220 A N 8.346 131.282 122.820 0.193 0.000 2.273 220 A HA 0.748 5.068 4.320 -0.000 0.000 0.315 220 A C -0.640 177.050 177.584 0.176 0.000 1.256 220 A CA -0.542 51.639 52.037 0.240 0.000 0.851 220 A CB 0.103 19.255 19.000 0.253 0.000 1.172 220 A HN 0.641 nan 8.150 nan 0.000 0.508 221 I N 1.133 121.794 120.570 0.151 0.000 2.354 221 I HA 0.506 4.676 4.170 -0.000 0.000 0.292 221 I C 0.398 176.611 176.117 0.161 0.000 0.989 221 I CA -0.916 60.436 61.300 0.087 0.000 1.188 221 I CB 1.033 38.961 38.000 -0.120 0.000 1.342 221 I HN 0.649 nan 8.210 nan 0.000 0.457 222 C N 3.647 123.088 119.300 0.236 0.000 2.676 222 C HA 0.207 4.667 4.460 -0.000 0.000 0.416 222 C C 1.706 176.848 174.990 0.254 0.000 1.299 222 C CA -0.272 58.892 59.018 0.243 0.000 2.048 222 C CB 0.057 27.885 27.740 0.147 0.000 2.713 222 C HN 0.856 nan 8.230 nan 0.000 0.624 223 H N 0.708 119.918 119.070 0.232 0.000 2.357 223 H HA 0.012 4.568 4.556 -0.000 0.000 0.301 223 H C 1.367 176.802 175.328 0.178 0.000 1.082 223 H CA 1.694 57.848 56.048 0.176 0.000 1.342 223 H CB -0.028 29.798 29.762 0.108 0.000 1.389 223 H HN 0.691 nan 8.280 nan 0.000 0.511 224 R N 1.782 122.431 120.500 0.249 0.000 2.489 224 R HA 0.052 4.392 4.340 -0.000 0.000 0.287 224 R C -0.172 176.179 176.300 0.085 0.000 1.053 224 R CA -0.113 56.081 56.100 0.156 0.000 1.036 224 R CB 0.504 30.880 30.300 0.127 0.000 0.966 224 R HN 0.170 nan 8.270 nan 0.000 0.432 225 R N 2.179 122.747 120.500 0.112 0.000 2.560 225 R HA 0.266 4.606 4.340 -0.000 0.000 0.270 225 R C 0.779 177.090 176.300 0.018 0.000 1.074 225 R CA 0.231 56.385 56.100 0.089 0.000 1.140 225 R CB 0.899 31.316 30.300 0.195 0.000 1.073 225 R HN 0.976 nan 8.270 nan 0.000 0.527 226 G N 0.927 109.727 108.800 -0.000 0.000 2.176 226 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.253 226 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.253 226 G C 0.127 175.017 174.900 -0.016 0.000 0.979 226 G CA -0.291 44.821 45.100 0.020 0.000 0.641 226 G HN 0.502 nan 8.290 nan 0.000 0.530 227 I N 0.831 121.327 120.570 -0.123 0.000 2.308 227 I HA 0.318 4.488 4.170 -0.000 0.000 0.293 227 I C 1.655 177.713 176.117 -0.098 0.000 1.078 227 I CA -0.553 60.662 61.300 -0.142 0.000 1.292 227 I CB 0.992 38.830 38.000 -0.270 0.000 1.423 227 I HN 0.037 nan 8.210 nan 0.000 0.493 228 R N 3.115 123.631 120.500 0.026 0.000 2.127 228 R HA 0.053 4.393 4.340 -0.000 0.000 0.217 228 R C 0.465 176.857 176.300 0.155 0.000 1.074 228 R CA 0.706 56.904 56.100 0.163 0.000 0.991 228 R CB 0.219 30.683 30.300 0.274 0.000 0.895 228 R HN 0.843 nan 8.270 nan 0.000 0.450 229 S N -2.227 113.512 115.700 0.065 0.000 2.688 229 S HA -0.018 4.452 4.470 -0.000 0.000 0.266 229 S C 0.196 174.743 174.600 -0.089 0.000 1.061 229 S CA -0.831 57.395 58.200 0.043 0.000 0.844 229 S CB 0.066 63.409 63.200 0.239 0.000 1.103 229 S HN -0.044 nan 8.310 nan 0.000 0.471 230 L N 1.836 122.953 121.223 -0.178 0.000 2.103 230 L HA -0.043 4.297 4.340 -0.000 0.000 0.215 230 L C 2.583 179.213 176.870 -0.400 0.000 1.080 230 L CA 2.087 56.673 54.840 -0.424 0.000 0.764 230 L CB -1.065 40.637 42.059 -0.594 0.000 0.890 230 L HN 0.759 nan 8.230 nan 0.000 0.435 231 R N -0.632 119.654 120.500 -0.357 0.000 2.237 231 R HA -0.107 4.233 4.340 -0.000 0.000 0.219 231 R C 1.216 177.453 176.300 -0.106 0.000 1.080 231 R CA 1.107 57.003 56.100 -0.340 0.000 0.995 231 R CB -0.394 29.434 30.300 -0.786 0.000 0.875 231 R HN 0.474 nan 8.270 nan 0.000 0.462 232 D N 0.413 120.780 120.400 -0.055 0.000 2.355 232 D HA 0.052 4.692 4.640 -0.000 0.000 0.218 232 D C 0.413 176.740 176.300 0.045 0.000 1.004 232 D CA 0.416 54.430 54.000 0.023 0.000 0.880 232 D CB 0.192 40.995 40.800 0.005 0.000 0.911 232 D HN 0.098 nan 8.370 nan 0.000 0.528 233 L N 1.027 122.240 121.223 -0.017 0.000 2.331 233 L HA 0.237 4.577 4.340 -0.000 0.000 0.278 233 L C 0.965 177.996 176.870 0.269 0.000 1.106 233 L CA -0.042 54.841 54.840 0.071 0.000 0.824 233 L CB 1.033 43.029 42.059 -0.105 0.000 1.142 233 L HN -0.047 nan 8.230 nan 0.000 0.443 234 T N -0.707 114.112 114.554 0.442 0.000 2.864 234 T HA 0.432 4.782 4.350 -0.000 0.000 0.289 234 T C -2.318 172.455 174.700 0.122 0.000 1.082 234 T CA -1.868 60.350 62.100 0.197 0.000 1.009 234 T CB 1.970 70.885 68.868 0.079 0.000 1.234 234 T HN 0.166 nan 8.240 nan 0.000 0.526 235 P HA -0.054 nan 4.420 nan 0.000 0.221 235 P C 1.289 178.578 177.300 -0.017 0.000 1.145 235 P CA 0.921 64.042 63.100 0.035 0.000 0.795 235 P CB 0.083 31.799 31.700 0.026 0.000 0.775 236 E N -0.857 119.277 120.200 -0.110 0.000 2.160 236 E HA -0.248 4.102 4.350 -0.000 0.000 0.195 236 E C 1.324 177.799 176.600 -0.208 0.000 0.991 236 E CA 1.008 57.292 56.400 -0.195 0.000 0.810 236 E CB -0.178 29.321 29.700 -0.334 0.000 0.742 236 E HN 0.423 nan 8.360 nan 0.000 0.466 237 H N -0.122 118.967 119.070 0.031 0.000 2.548 237 H HA 0.022 4.578 4.556 -0.000 0.000 0.268 237 H C 2.219 177.563 175.328 0.027 0.000 0.975 237 H CA 0.399 56.462 56.048 0.026 0.000 1.195 237 H CB 0.061 29.828 29.762 0.008 0.000 1.397 237 H HN 0.240 nan 8.280 nan 0.000 0.572 238 L N 0.855 122.150 121.223 0.119 0.000 2.010 238 L HA -0.207 4.133 4.340 -0.000 0.000 0.219 238 L C -0.337 176.586 176.870 0.088 0.000 1.077 238 L CA 1.826 56.719 54.840 0.088 0.000 0.773 238 L CB -1.440 40.659 42.059 0.067 0.000 0.892 238 L HN 0.261 nan 8.230 nan 0.000 0.436 239 P HA -0.214 nan 4.420 nan 0.000 0.215 239 P C 1.664 179.036 177.300 0.120 0.000 1.157 239 P CA 1.153 64.313 63.100 0.100 0.000 0.868 239 P CB -0.018 31.735 31.700 0.088 0.000 0.788 240 L N -0.527 120.773 121.223 0.127 0.000 1.990 240 L HA -0.195 4.145 4.340 -0.000 0.000 0.213 240 L C 2.194 179.096 176.870 0.052 0.000 1.072 240 L CA 1.923 56.840 54.840 0.129 0.000 0.755 240 L CB -1.562 40.586 42.059 0.147 0.000 0.889 240 L HN -0.126 nan 8.230 nan 0.000 0.432 241 L N -0.820 120.423 121.223 0.034 0.000 2.043 241 L HA -0.249 4.090 4.340 -0.000 0.000 0.212 241 L C 2.764 179.601 176.870 -0.054 0.000 1.075 241 L CA 1.673 56.495 54.840 -0.030 0.000 0.752 241 L CB -0.631 41.416 42.059 -0.019 0.000 0.891 241 L HN 0.273 nan 8.230 nan 0.000 0.432 242 R N -0.529 119.988 120.500 0.028 0.000 2.115 242 R HA -0.070 4.270 4.340 -0.000 0.000 0.226 242 R C 2.102 178.461 176.300 0.097 0.000 1.100 242 R CA 0.936 57.087 56.100 0.085 0.000 0.980 242 R CB -0.258 30.167 30.300 0.208 0.000 0.875 242 R HN 0.369 nan 8.270 nan 0.000 0.445 243 N N 0.864 119.626 118.700 0.102 0.000 2.171 243 N HA -0.046 4.694 4.740 -0.000 0.000 0.184 243 N C 1.799 177.288 175.510 -0.036 0.000 1.021 243 N CA 0.971 54.127 53.050 0.177 0.000 0.854 243 N CB -0.048 38.616 38.487 0.296 0.000 0.994 243 N HN 0.137 nan 8.380 nan 0.000 0.426 244 I N 0.565 120.924 120.570 -0.352 0.000 2.091 244 I HA -0.295 3.874 4.170 -0.000 0.000 0.239 244 I C 2.214 178.201 176.117 -0.216 0.000 1.061 244 I CA 0.850 61.703 61.300 -0.745 0.000 1.317 244 I CB -0.311 37.382 38.000 -0.513 0.000 1.031 244 I HN 0.094 nan 8.210 nan 0.000 0.401 245 L N 0.593 121.692 121.223 -0.205 0.000 1.997 245 L HA -0.304 4.036 4.340 -0.000 0.000 0.216 245 L C 2.417 179.144 176.870 -0.238 0.000 1.074 245 L CA 2.262 56.941 54.840 -0.267 0.000 0.763 245 L CB -0.840 40.915 42.059 -0.506 0.000 0.890 245 L HN 0.283 nan 8.230 nan 0.000 0.434 246 H N -2.183 116.920 119.070 0.056 0.000 2.431 246 H HA 0.074 4.630 4.556 -0.000 0.000 0.295 246 H C 2.127 177.474 175.328 0.031 0.000 1.038 246 H CA 1.016 57.094 56.048 0.051 0.000 1.360 246 H CB 0.096 29.882 29.762 0.040 0.000 1.433 246 H HN 0.444 nan 8.280 nan 0.000 0.536 247 Q N 0.074 119.953 119.800 0.131 0.000 2.212 247 Q HA -0.002 4.338 4.340 -0.000 0.000 0.199 247 Q C 2.455 178.388 176.000 -0.112 0.000 0.950 247 Q CA 0.776 56.562 55.803 -0.028 0.000 0.863 247 Q CB 0.204 29.025 28.738 0.138 0.000 0.944 247 Q HN 0.526 nan 8.270 nan 0.000 0.465 248 G N 1.213 110.065 108.800 0.086 0.000 2.433 248 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.216 248 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.216 248 G C 1.282 176.119 174.900 -0.105 0.000 1.186 248 G CA 0.556 45.601 45.100 -0.093 0.000 0.779 248 G HN 0.264 nan 8.290 nan 0.000 0.543 249 Q N -0.226 119.644 119.800 0.117 0.000 2.084 249 Q HA -0.115 4.225 4.340 -0.000 0.000 0.202 249 Q C 2.437 178.459 176.000 0.038 0.000 0.978 249 Q CA 1.500 57.383 55.803 0.133 0.000 0.844 249 Q CB -0.141 28.697 28.738 0.165 0.000 0.898 249 Q HN 0.553 nan 8.270 nan 0.000 0.426 250 E N 0.848 121.045 120.200 -0.007 0.000 2.110 250 E HA -0.173 4.177 4.350 -0.000 0.000 0.193 250 E C 1.751 178.286 176.600 -0.107 0.000 0.988 250 E CA 1.402 57.772 56.400 -0.050 0.000 0.804 250 E CB -0.212 29.447 29.700 -0.068 0.000 0.745 250 E HN 0.340 nan 8.360 nan 0.000 0.458 251 A N 0.281 122.976 122.820 -0.209 0.000 1.969 251 A HA -0.093 4.227 4.320 -0.000 0.000 0.218 251 A C 2.292 179.854 177.584 -0.037 0.000 1.169 251 A CA 1.331 53.258 52.037 -0.184 0.000 0.635 251 A CB -0.572 18.280 19.000 -0.247 0.000 0.810 251 A HN 0.373 nan 8.150 nan 0.000 0.445 252 I N -0.857 119.720 120.570 0.012 0.000 2.353 252 I HA -0.183 3.987 4.170 -0.000 0.000 0.248 252 I C 2.356 178.562 176.117 0.149 0.000 1.119 252 I CA 0.841 62.244 61.300 0.172 0.000 1.417 252 I CB -0.158 37.921 38.000 0.131 0.000 1.078 252 I HN 0.404 nan 8.210 nan 0.000 0.421 253 L N 0.418 121.679 121.223 0.063 0.000 2.046 253 L HA -0.228 4.111 4.340 -0.000 0.000 0.208 253 L C 2.424 179.300 176.870 0.010 0.000 1.077 253 L CA 1.933 56.795 54.840 0.038 0.000 0.747 253 L CB -0.670 41.403 42.059 0.023 0.000 0.896 253 L HN 0.197 nan 8.230 nan 0.000 0.432 254 Q N -0.609 119.180 119.800 -0.018 0.000 2.137 254 Q HA -0.137 4.202 4.340 -0.000 0.000 0.198 254 Q C 2.453 178.400 176.000 -0.089 0.000 0.960 254 Q CA 1.228 57.006 55.803 -0.042 0.000 0.847 254 Q CB -0.300 28.413 28.738 -0.042 0.000 0.915 254 Q HN 0.425 nan 8.270 nan 0.000 0.448 255 R N -0.205 120.198 120.500 -0.162 0.000 2.073 255 R HA -0.088 4.251 4.340 -0.000 0.000 0.229 255 R C 0.945 176.959 176.300 -0.476 0.000 1.120 255 R CA 1.525 57.381 56.100 -0.406 0.000 0.967 255 R CB -0.153 29.751 30.300 -0.660 0.000 0.862 255 R HN 0.272 nan 8.270 nan 0.000 0.436 256 Y N -0.950 119.371 120.300 0.035 0.000 2.527 256 Y HA 0.377 4.927 4.550 -0.000 0.000 0.247 256 Y C 0.063 175.969 175.900 0.010 0.000 1.138 256 Y CA -0.365 57.763 58.100 0.046 0.000 1.228 256 Y CB 0.682 39.181 38.460 0.064 0.000 1.252 256 Y HN -0.077 nan 8.280 nan 0.000 0.531 257 R N -0.320 120.238 120.500 0.096 0.000 3.878 257 R HA -0.237 4.103 4.340 -0.000 0.000 0.330 257 R C -0.030 176.269 176.300 -0.002 0.000 1.186 257 R CA 0.911 57.031 56.100 0.033 0.000 0.885 257 R CB -2.186 28.124 30.300 0.017 0.000 1.377 257 R HN 0.372 nan 8.270 nan 0.000 0.523 258 M N 1.825 121.447 119.600 0.036 0.000 2.080 258 M HA 0.237 4.717 4.480 -0.000 0.000 0.350 258 M C -0.084 176.193 176.300 -0.039 0.000 1.173 258 M CA -0.216 55.050 55.300 -0.056 0.000 1.052 258 M CB 0.771 33.375 32.600 0.007 0.000 1.577 258 M HN -0.049 nan 8.290 nan 0.000 0.455 259 K N 2.889 123.216 120.400 -0.123 0.000 2.319 259 K HA 0.146 4.466 4.320 -0.000 0.000 0.265 259 K C 1.183 177.847 176.600 0.107 0.000 1.000 259 K CA 0.252 56.539 56.287 -0.000 0.000 0.943 259 K CB 0.496 33.003 32.500 0.012 0.000 0.950 259 K HN 0.965 nan 8.250 nan 0.000 0.485 260 G N 1.819 110.685 108.800 0.110 0.000 2.448 260 G HA2 -0.248 3.711 3.960 -0.000 0.000 0.219 260 G HA3 -0.248 3.711 3.960 -0.000 0.000 0.219 260 G C 0.895 175.869 174.900 0.123 0.000 1.127 260 G CA 0.883 46.053 45.100 0.117 0.000 0.766 260 G HN 0.846 nan 8.290 nan 0.000 0.552 261 D N -0.348 120.141 120.400 0.148 0.000 2.363 261 D HA -0.016 4.623 4.640 -0.000 0.000 0.226 261 D C 1.082 177.439 176.300 0.095 0.000 1.020 261 D CA 0.385 54.450 54.000 0.109 0.000 0.892 261 D CB -0.512 40.337 40.800 0.083 0.000 0.900 261 D HN 0.361 nan 8.370 nan 0.000 0.531 262 H N -0.782 118.303 119.070 0.024 0.000 2.549 262 H HA 0.443 4.999 4.556 -0.000 0.000 0.279 262 H C -0.125 175.212 175.328 0.015 0.000 1.018 262 H CA -0.199 55.861 56.048 0.019 0.000 1.175 262 H CB 0.433 30.209 29.762 0.024 0.000 1.485 262 H HN 0.066 nan 8.280 nan 0.000 0.543 263 L N 0.511 121.805 121.223 0.118 0.000 2.362 263 L HA 0.479 4.819 4.340 -0.000 0.000 0.271 263 L C -0.024 176.861 176.870 0.025 0.000 1.002 263 L CA -0.915 53.971 54.840 0.077 0.000 0.818 263 L CB 2.578 44.703 42.059 0.110 0.000 1.298 263 L HN 0.011 nan 8.230 nan 0.000 0.420 264 R N 2.473 122.981 120.500 0.013 0.000 2.288 264 R HA 0.577 4.917 4.340 -0.000 0.000 0.326 264 R C -1.729 174.597 176.300 0.042 0.000 0.959 264 R CA -0.427 55.685 56.100 0.021 0.000 0.834 264 R CB 1.344 31.654 30.300 0.018 0.000 1.157 264 R HN 0.432 nan 8.270 nan 0.000 0.470 265 V N 6.781 126.653 119.914 -0.070 0.000 2.384 265 V HA 0.492 4.612 4.120 -0.000 0.000 0.287 265 V C -1.018 174.969 176.094 -0.178 0.000 1.020 265 V CA -0.564 61.513 62.300 -0.372 0.000 0.850 265 V CB 0.838 32.275 31.823 -0.644 0.000 0.987 265 V HN 0.795 nan 8.190 nan 0.000 0.436 266 Y N 3.635 123.711 120.300 -0.375 0.000 2.713 266 Y HA 0.854 5.404 4.550 -0.000 0.000 0.335 266 Y C -1.711 174.057 175.900 -0.221 0.000 1.222 266 Y CA -1.668 56.278 58.100 -0.256 0.000 1.061 266 Y CB 1.168 39.491 38.460 -0.227 0.000 1.314 266 Y HN 0.352 nan 8.280 nan 0.000 0.453 267 L N 1.266 122.518 121.223 0.050 0.000 2.303 267 L HA 0.582 4.922 4.340 -0.000 0.000 0.266 267 L C -0.688 176.232 176.870 0.083 0.000 1.011 267 L CA -0.766 54.057 54.840 -0.028 0.000 0.818 267 L CB 1.761 43.811 42.059 -0.014 0.000 1.326 267 L HN 0.791 nan 8.230 nan 0.000 0.435 268 H N -0.344 118.776 119.070 0.084 0.000 2.463 268 H HA 0.469 5.025 4.556 -0.000 0.000 0.332 268 H C -1.618 173.785 175.328 0.125 0.000 1.127 268 H CA -0.414 55.694 56.048 0.099 0.000 1.238 268 H CB 1.605 31.357 29.762 -0.016 0.000 1.478 268 H HN 0.471 nan 8.280 nan 0.000 0.499 269 Y N 3.181 123.583 120.300 0.169 0.000 2.332 269 Y HA 0.205 4.755 4.550 -0.000 0.000 0.325 269 Y C -1.748 174.130 175.900 -0.037 0.000 1.054 269 Y CA -1.023 57.059 58.100 -0.031 0.000 1.119 269 Y CB 0.581 38.955 38.460 -0.143 0.000 1.168 269 Y HN 0.451 nan 8.280 nan 0.000 0.439 270 L N 8.369 129.194 121.223 -0.663 0.000 2.417 270 L HA 0.468 4.808 4.340 -0.000 0.000 0.268 270 L C -1.999 174.630 176.870 -0.401 0.000 1.158 270 L CA -2.275 52.053 54.840 -0.853 0.000 0.819 270 L CB 0.133 41.727 42.059 -0.775 0.000 1.112 270 L HN 0.500 nan 8.230 nan 0.000 0.458 271 P HA 0.242 nan 4.420 nan 0.000 0.278 271 P C -0.295 176.757 177.300 -0.412 0.000 1.266 271 P CA -0.423 62.504 63.100 -0.289 0.000 0.807 271 P CB 1.098 32.598 31.700 -0.333 0.000 1.094 272 S N -1.008 114.551 115.700 -0.235 0.000 2.470 272 S HA 0.099 4.569 4.470 -0.000 0.000 0.222 272 S C 0.048 174.362 174.600 -0.476 0.000 1.024 272 S CA 0.656 58.628 58.200 -0.380 0.000 0.931 272 S CB -0.431 62.473 63.200 -0.493 0.000 0.791 272 S HN 0.459 nan 8.310 nan 0.000 0.513 273 Y N 0.470 120.757 120.300 -0.022 0.000 2.345 273 Y HA 0.362 4.912 4.550 -0.000 0.000 0.331 273 Y C -0.719 175.143 175.900 -0.062 0.000 0.959 273 Y CA -1.013 57.137 58.100 0.083 0.000 1.204 273 Y CB 0.497 39.120 38.460 0.271 0.000 1.135 273 Y HN 0.067 nan 8.280 nan 0.000 0.477 274 Y N 2.635 123.034 120.300 0.166 0.000 2.971 274 Y HA 0.113 4.662 4.550 -0.000 0.000 0.384 274 Y C 0.110 176.080 175.900 0.117 0.000 1.166 274 Y CA -0.126 58.041 58.100 0.111 0.000 1.973 274 Y CB -0.530 37.970 38.460 0.067 0.000 2.082 274 Y HN 0.558 nan 8.280 nan 0.000 0.420 275 H N -0.034 119.055 119.070 0.032 0.000 2.924 275 H HA 0.323 4.879 4.556 -0.000 0.000 0.333 275 H C -0.864 174.439 175.328 -0.041 0.000 0.979 275 H CA -1.307 54.721 56.048 -0.034 0.000 1.326 275 H CB 0.853 30.514 29.762 -0.167 0.000 1.600 275 H HN 0.247 nan 8.280 nan 0.000 0.520 276 L N 4.703 125.916 121.223 -0.018 0.000 2.693 276 L HA -0.050 4.290 4.340 -0.000 0.000 0.292 276 L C -0.640 176.301 176.870 0.120 0.000 1.243 276 L CA 1.167 56.010 54.840 0.006 0.000 0.903 276 L CB -0.324 41.681 42.059 -0.090 0.000 1.160 276 L HN 0.963 nan 8.230 nan 0.000 0.496 277 N N 2.466 121.225 118.700 0.100 0.000 2.308 277 N HA 0.649 5.389 4.740 -0.000 0.000 0.283 277 N C -1.726 173.848 175.510 0.106 0.000 1.105 277 N CA -1.014 52.103 53.050 0.111 0.000 0.840 277 N CB 1.742 40.309 38.487 0.133 0.000 1.633 277 N HN 0.200 nan 8.380 nan 0.000 0.476 278 V N 1.182 121.133 119.914 0.061 0.000 2.555 278 V HA 0.402 4.522 4.120 -0.000 0.000 0.302 278 V C -0.615 175.462 176.094 -0.029 0.000 1.038 278 V CA -0.605 61.697 62.300 0.003 0.000 0.887 278 V CB 1.474 33.270 31.823 -0.046 0.000 0.991 278 V HN 0.758 nan 8.190 nan 0.000 0.434 279 H N 4.103 122.928 119.070 -0.408 0.000 2.481 279 H HA 0.451 5.007 4.556 -0.000 0.000 0.333 279 H C -1.466 173.495 175.328 -0.611 0.000 1.066 279 H CA -0.300 55.500 56.048 -0.412 0.000 1.209 279 H CB 1.615 30.772 29.762 -1.009 0.000 1.445 279 H HN 0.439 nan 8.280 nan 0.000 0.488 280 F N 2.009 121.805 119.950 -0.258 0.000 2.427 280 F HA 0.211 4.738 4.527 -0.000 0.000 0.348 280 F C 0.504 176.134 175.800 -0.283 0.000 1.125 280 F CA -0.635 57.241 58.000 -0.208 0.000 0.989 280 F CB 1.785 40.722 39.000 -0.106 0.000 1.165 280 F HN 0.353 nan 8.300 nan 0.000 0.442 281 T N 0.003 114.478 114.554 -0.131 0.000 2.893 281 T HA 0.817 5.167 4.350 -0.000 0.000 0.291 281 T C -0.201 174.475 174.700 -0.039 0.000 1.028 281 T CA -1.127 60.869 62.100 -0.172 0.000 0.995 281 T CB 1.759 70.495 68.868 -0.220 0.000 1.051 281 T HN 0.732 nan 8.240 nan 0.000 0.470 282 A N 2.326 125.130 122.820 -0.028 0.000 2.546 282 A HA 0.339 4.659 4.320 -0.000 0.000 0.243 282 A C 1.395 179.023 177.584 0.074 0.000 1.063 282 A CA -0.517 51.538 52.037 0.031 0.000 0.757 282 A CB -0.298 18.710 19.000 0.012 0.000 0.991 282 A HN 1.048 nan 8.150 nan 0.000 0.503 283 L N 3.615 124.869 121.223 0.051 0.000 2.046 283 L HA -0.005 4.335 4.340 -0.000 0.000 0.208 283 L C 2.149 179.034 176.870 0.025 0.000 1.077 283 L CA 2.809 57.657 54.840 0.014 0.000 0.747 283 L CB -0.847 41.202 42.059 -0.017 0.000 0.896 283 L HN 0.731 nan 8.230 nan 0.000 0.432 284 G N -1.697 107.136 108.800 0.054 0.000 2.848 284 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.208 284 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.208 284 G C 0.596 175.588 174.900 0.153 0.000 1.152 284 G CA -0.204 44.936 45.100 0.067 0.000 0.789 284 G HN 0.367 nan 8.290 nan 0.000 0.531 285 F N 1.855 121.794 119.950 -0.019 0.000 2.444 285 F HA 0.296 4.823 4.527 -0.000 0.000 0.360 285 F C -0.065 175.729 175.800 -0.011 0.000 1.106 285 F CA -1.167 56.828 58.000 -0.009 0.000 1.170 285 F CB 0.854 39.837 39.000 -0.028 0.000 1.113 285 F HN -0.078 nan 8.300 nan 0.000 0.521 286 E N 6.375 126.521 120.200 -0.090 0.000 1.852 286 E HA 0.153 4.503 4.350 -0.000 0.000 0.276 286 E C 0.080 176.342 176.600 -0.562 0.000 1.163 286 E CA -0.163 56.092 56.400 -0.241 0.000 1.117 286 E CB 0.399 30.047 29.700 -0.087 0.000 1.124 286 E HN 0.630 nan 8.360 nan 0.000 0.458 287 A N 4.476 126.798 122.820 -0.829 0.000 2.477 287 A HA 0.308 4.628 4.320 -0.000 0.000 0.246 287 A C -1.971 175.424 177.584 -0.315 0.000 1.078 287 A CA -1.089 50.389 52.037 -0.931 0.000 0.770 287 A CB -0.137 18.477 19.000 -0.644 0.000 1.011 287 A HN 0.185 nan 8.150 nan 0.000 0.494 288 P HA 0.240 nan 4.420 nan 0.000 0.268 288 P C 0.870 178.226 177.300 0.093 0.000 1.205 288 P CA 1.467 64.576 63.100 0.014 0.000 0.771 288 P CB 0.610 32.373 31.700 0.104 0.000 0.858 289 G N 2.101 110.930 108.800 0.049 0.000 2.143 289 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.248 289 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.248 289 G C 0.621 175.593 174.900 0.121 0.000 0.991 289 G CA 0.442 45.590 45.100 0.080 0.000 0.689 289 G HN 0.688 nan 8.290 nan 0.000 0.522 290 S N -0.556 115.090 115.700 -0.090 0.000 2.597 290 S HA 0.558 5.028 4.470 -0.000 0.000 0.224 290 S C 1.248 175.649 174.600 -0.330 0.000 0.955 290 S CA 0.618 58.579 58.200 -0.398 0.000 0.933 290 S CB 0.780 63.695 63.200 -0.475 0.000 0.788 290 S HN 1.513 nan 8.310 nan 0.000 0.488 291 G N 0.635 109.325 108.800 -0.183 0.000 2.467 291 G HA2 0.386 4.346 3.960 -0.000 0.000 0.257 291 G HA3 0.386 4.346 3.960 -0.000 0.000 0.257 291 G C 0.831 175.637 174.900 -0.157 0.000 1.227 291 G CA -0.381 44.630 45.100 -0.147 0.000 0.835 291 G HN 0.230 nan 8.290 nan 0.000 0.556 292 V N 1.139 120.964 119.914 -0.148 0.000 2.453 292 V HA -0.153 3.967 4.120 -0.000 0.000 0.252 292 V C 2.661 178.690 176.094 -0.108 0.000 1.068 292 V CA 2.618 64.827 62.300 -0.152 0.000 1.070 292 V CB -0.282 31.475 31.823 -0.111 0.000 0.664 292 V HN 0.901 nan 8.190 nan 0.000 0.461 293 E N -0.039 120.132 120.200 -0.049 0.000 2.516 293 E HA -0.214 4.136 4.350 -0.000 0.000 0.199 293 E C 1.948 178.602 176.600 0.091 0.000 1.069 293 E CA 1.144 57.558 56.400 0.023 0.000 0.876 293 E CB -0.067 29.648 29.700 0.025 0.000 0.843 293 E HN 0.680 nan 8.360 nan 0.000 0.530 294 R N -0.581 119.947 120.500 0.047 0.000 2.725 294 R HA 0.295 4.635 4.340 -0.000 0.000 0.207 294 R C -0.001 176.432 176.300 0.222 0.000 0.924 294 R CA 0.618 56.810 56.100 0.152 0.000 1.098 294 R CB 0.768 31.097 30.300 0.048 0.000 1.602 294 R HN 0.085 nan 8.270 nan 0.000 0.615 295 A N 1.395 124.216 122.820 0.001 0.000 2.327 295 A HA 0.445 4.765 4.320 -0.000 0.000 0.283 295 A C -1.123 176.258 177.584 -0.338 0.000 1.127 295 A CA -0.125 51.874 52.037 -0.064 0.000 0.810 295 A CB 0.295 19.025 19.000 -0.450 0.000 1.066 295 A HN 0.364 nan 8.150 nan 0.000 0.492 296 H N 2.677 121.767 119.070 0.033 0.000 2.823 296 H HA 0.279 4.835 4.556 -0.000 0.000 0.332 296 H C -0.950 174.382 175.328 0.007 0.000 0.980 296 H CA -0.444 55.616 56.048 0.019 0.000 1.286 296 H CB 1.214 30.992 29.762 0.027 0.000 1.541 296 H HN 0.557 nan 8.280 nan 0.000 0.521 297 L N 3.789 125.024 121.223 0.020 0.000 2.455 297 L HA -0.039 4.301 4.340 -0.000 0.000 0.272 297 L C 2.027 178.887 176.870 -0.016 0.000 1.174 297 L CA 0.018 54.858 54.840 -0.000 0.000 0.869 297 L CB 0.961 42.997 42.059 -0.038 0.000 1.130 297 L HN 0.531 nan 8.230 nan 0.000 0.474 298 L N 3.130 124.308 121.223 -0.074 0.000 2.042 298 L HA -0.248 4.092 4.340 -0.000 0.000 0.210 298 L C 2.572 179.391 176.870 -0.086 0.000 1.076 298 L CA 1.730 56.502 54.840 -0.113 0.000 0.749 298 L CB -0.138 41.795 42.059 -0.209 0.000 0.893 298 L HN 0.958 nan 8.230 nan 0.000 0.432 299 A N -0.229 122.540 122.820 -0.085 0.000 1.903 299 A HA -0.297 4.023 4.320 -0.000 0.000 0.219 299 A C 2.033 179.605 177.584 -0.019 0.000 1.191 299 A CA 2.176 54.185 52.037 -0.048 0.000 0.638 299 A CB -0.595 18.385 19.000 -0.033 0.000 0.823 299 A HN 0.596 nan 8.150 nan 0.000 0.451 300 E N -0.711 119.482 120.200 -0.012 0.000 2.107 300 E HA -0.074 4.276 4.350 -0.000 0.000 0.191 300 E C 1.997 178.609 176.600 0.019 0.000 0.982 300 E CA 0.982 57.383 56.400 0.002 0.000 0.809 300 E CB -0.205 29.501 29.700 0.010 0.000 0.756 300 E HN 0.412 nan 8.360 nan 0.000 0.459 301 V N 1.595 121.528 119.914 0.032 0.000 2.295 301 V HA -0.267 3.853 4.120 -0.000 0.000 0.246 301 V C 2.245 178.377 176.094 0.063 0.000 1.049 301 V CA 1.490 63.830 62.300 0.068 0.000 1.024 301 V CB -0.332 31.449 31.823 -0.071 0.000 0.648 301 V HN 0.275 nan 8.190 nan 0.000 0.447 302 I N -0.256 120.323 120.570 0.015 0.000 2.163 302 I HA -0.286 3.884 4.170 -0.000 0.000 0.243 302 I C 2.533 178.667 176.117 0.028 0.000 1.085 302 I CA 1.868 63.183 61.300 0.025 0.000 1.347 302 I CB -0.327 37.681 38.000 0.013 0.000 1.044 302 I HN 0.405 nan 8.210 nan 0.000 0.408 303 E N 0.293 120.500 120.200 0.011 0.000 2.158 303 E HA -0.154 4.196 4.350 -0.000 0.000 0.191 303 E C 1.844 178.426 176.600 -0.030 0.000 0.982 303 E CA 0.562 56.962 56.400 -0.000 0.000 0.823 303 E CB -0.032 29.666 29.700 -0.003 0.000 0.766 303 E HN 0.413 nan 8.360 nan 0.000 0.468 304 N N 0.946 119.603 118.700 -0.071 0.000 2.104 304 N HA -0.149 4.591 4.740 -0.000 0.000 0.190 304 N C 1.831 177.268 175.510 -0.122 0.000 1.024 304 N CA 0.965 53.885 53.050 -0.217 0.000 0.853 304 N CB -0.202 37.997 38.487 -0.480 0.000 1.008 304 N HN 0.153 nan 8.380 nan 0.000 0.424 305 L N 0.881 122.110 121.223 0.010 0.000 2.141 305 L HA -0.100 4.240 4.340 -0.000 0.000 0.209 305 L C 1.995 178.886 176.870 0.035 0.000 1.094 305 L CA 1.036 55.911 54.840 0.058 0.000 0.763 305 L CB -0.291 41.836 42.059 0.112 0.000 0.908 305 L HN 0.184 nan 8.230 nan 0.000 0.437 306 E N -0.772 119.442 120.200 0.023 0.000 2.107 306 E HA -0.173 4.177 4.350 -0.000 0.000 0.191 306 E C 2.202 178.810 176.600 0.013 0.000 0.982 306 E CA 1.318 57.731 56.400 0.021 0.000 0.809 306 E CB -0.111 29.601 29.700 0.021 0.000 0.756 306 E HN 0.497 nan 8.360 nan 0.000 0.459 307 C N 0.723 120.024 119.300 0.002 0.000 2.481 307 C HA 0.008 4.468 4.460 -0.000 0.000 0.275 307 C C 0.783 175.780 174.990 0.011 0.000 1.419 307 C CA 0.077 59.096 59.018 0.002 0.000 1.773 307 C CB -0.456 27.279 27.740 -0.008 0.000 1.862 307 C HN 0.327 nan 8.230 nan 0.000 0.530 308 D N -1.252 119.158 120.400 0.017 0.000 3.361 308 D HA 0.104 4.744 4.640 -0.000 0.000 0.246 308 D C -1.674 174.653 176.300 0.045 0.000 1.395 308 D CA -0.744 53.276 54.000 0.035 0.000 0.839 308 D CB 0.275 41.118 40.800 0.072 0.000 1.469 308 D HN -0.055 nan 8.370 nan 0.000 0.636 309 P HA -0.188 nan 4.420 nan 0.000 0.218 309 P C 0.802 178.140 177.300 0.064 0.000 1.152 309 P CA 1.076 64.206 63.100 0.049 0.000 0.857 309 P CB 0.239 31.959 31.700 0.033 0.000 0.787 310 R N -2.254 118.272 120.500 0.044 0.000 2.466 310 R HA 0.092 4.432 4.340 -0.000 0.000 0.279 310 R C 1.962 178.265 176.300 0.005 0.000 0.976 310 R CA -0.141 55.982 56.100 0.037 0.000 1.081 310 R CB -0.733 29.578 30.300 0.018 0.000 1.215 310 R HN 0.344 nan 8.270 nan 0.000 0.546 311 H N -0.247 118.739 119.070 -0.139 0.000 2.353 311 H HA -0.203 4.353 4.556 -0.000 0.000 0.298 311 H C 0.984 176.054 175.328 -0.431 0.000 1.103 311 H CA 2.057 57.915 56.048 -0.317 0.000 1.293 311 H CB 0.081 29.560 29.762 -0.472 0.000 1.372 311 H HN 0.270 nan 8.280 nan 0.000 0.501 312 Y N -0.333 120.037 120.300 0.116 0.000 2.516 312 Y HA -0.080 4.470 4.550 -0.000 0.000 0.291 312 Y C 2.260 178.094 175.900 -0.110 0.000 1.131 312 Y CA 0.606 58.694 58.100 -0.021 0.000 1.281 312 Y CB 0.229 38.651 38.460 -0.063 0.000 1.013 312 Y HN 0.333 nan 8.280 nan 0.000 0.554 313 Q N -0.459 119.360 119.800 0.031 0.000 2.250 313 Q HA -0.075 4.265 4.340 -0.000 0.000 0.200 313 Q C 1.860 177.852 176.000 -0.014 0.000 0.941 313 Q CA 0.973 56.788 55.803 0.019 0.000 0.872 313 Q CB 0.098 28.872 28.738 0.060 0.000 0.965 313 Q HN 0.504 nan 8.270 nan 0.000 0.480 314 Q N -0.625 119.130 119.800 -0.076 0.000 2.204 314 Q HA 0.099 4.438 4.340 -0.000 0.000 0.198 314 Q C 0.385 176.302 176.000 -0.140 0.000 0.946 314 Q CA 0.339 56.086 55.803 -0.094 0.000 0.859 314 Q CB 0.483 29.160 28.738 -0.100 0.000 0.946 314 Q HN 0.047 nan 8.270 nan 0.000 0.474 315 R N 0.782 121.126 120.500 -0.261 0.000 2.583 315 R HA 0.290 4.630 4.340 -0.000 0.000 0.268 315 R C -0.249 175.968 176.300 -0.137 0.000 1.101 315 R CA 0.114 56.048 56.100 -0.275 0.000 1.180 315 R CB 0.672 30.635 30.300 -0.563 0.000 1.128 315 R HN 0.008 nan 8.270 nan 0.000 0.568 316 T N 2.207 116.710 114.554 -0.084 0.000 2.845 316 T HA 0.433 4.783 4.350 -0.000 0.000 0.288 316 T C 0.078 174.802 174.700 0.040 0.000 0.980 316 T CA -0.432 61.665 62.100 -0.005 0.000 1.071 316 T CB 0.629 69.495 68.868 -0.003 0.000 0.941 316 T HN 0.181 nan 8.240 nan 0.000 0.487 317 L N 3.015 124.305 121.223 0.112 0.000 2.322 317 L HA 0.451 4.791 4.340 -0.000 0.000 0.281 317 L C 0.291 177.321 176.870 0.267 0.000 1.014 317 L CA -0.839 54.130 54.840 0.216 0.000 0.815 317 L CB 1.840 44.011 42.059 0.186 0.000 1.247 317 L HN 0.586 nan 8.230 nan 0.000 0.421 318 T N 3.529 118.230 114.554 0.246 0.000 2.799 318 T HA 0.658 5.008 4.350 -0.000 0.000 0.286 318 T C -0.548 174.314 174.700 0.271 0.000 0.973 318 T CA -0.231 61.941 62.100 0.121 0.000 1.035 318 T CB 0.612 69.523 68.868 0.071 0.000 0.932 318 T HN 0.388 nan 8.240 nan 0.000 0.469 319 F N -0.032 119.994 119.950 0.127 0.000 2.711 319 F HA 0.874 5.401 4.527 -0.000 0.000 0.313 319 F C -0.916 174.903 175.800 0.032 0.000 1.141 319 F CA -1.991 56.060 58.000 0.086 0.000 0.941 319 F CB 0.758 39.803 39.000 0.075 0.000 1.349 319 F HN 0.593 nan 8.300 nan 0.000 0.464 320 A N 1.880 124.850 122.820 0.250 0.000 2.312 320 A HA 0.855 5.175 4.320 -0.000 0.000 0.326 320 A C -1.322 176.379 177.584 0.196 0.000 1.172 320 A CA -0.743 51.370 52.037 0.125 0.000 0.821 320 A CB 0.921 19.959 19.000 0.063 0.000 1.166 320 A HN 0.806 nan 8.150 nan 0.000 0.493 321 L N 1.696 122.987 121.223 0.114 0.000 2.370 321 L HA 0.493 4.833 4.340 -0.000 0.000 0.266 321 L C 0.197 177.085 176.870 0.030 0.000 1.002 321 L CA -0.948 53.950 54.840 0.096 0.000 0.818 321 L CB 2.039 44.170 42.059 0.120 0.000 1.325 321 L HN 0.840 nan 8.230 nan 0.000 0.418 322 R N 0.852 121.357 120.500 0.009 0.000 2.638 322 R HA -0.011 4.329 4.340 -0.000 0.000 0.268 322 R C 1.171 177.466 176.300 -0.008 0.000 1.006 322 R CA 0.464 56.559 56.100 -0.008 0.000 1.088 322 R CB 0.384 30.672 30.300 -0.021 0.000 0.950 322 R HN 0.855 nan 8.270 nan 0.000 0.419 323 A N 3.049 125.861 122.820 -0.012 0.000 1.915 323 A HA -0.284 4.036 4.320 -0.000 0.000 0.220 323 A C 1.503 179.077 177.584 -0.016 0.000 1.198 323 A CA 2.273 54.302 52.037 -0.013 0.000 0.647 323 A CB -0.479 18.513 19.000 -0.013 0.000 0.825 323 A HN 0.920 nan 8.150 nan 0.000 0.456 324 D N -0.692 119.697 120.400 -0.017 0.000 2.339 324 D HA 0.026 4.666 4.640 -0.000 0.000 0.217 324 D C 0.217 176.502 176.300 -0.024 0.000 1.050 324 D CA 0.103 54.092 54.000 -0.020 0.000 0.856 324 D CB -0.480 40.309 40.800 -0.018 0.000 0.922 324 D HN 0.314 nan 8.370 nan 0.000 0.518 325 D N 1.820 122.206 120.400 -0.022 0.000 2.493 325 D HA -0.043 4.596 4.640 -0.000 0.000 0.240 325 D C -1.026 175.253 176.300 -0.035 0.000 1.142 325 D CA -1.313 52.671 54.000 -0.027 0.000 0.872 325 D CB 1.565 42.356 40.800 -0.015 0.000 1.173 325 D HN -0.008 nan 8.370 nan 0.000 0.467 326 P HA -0.190 nan 4.420 nan 0.000 0.218 326 P C 1.652 178.895 177.300 -0.095 0.000 1.148 326 P CA 0.614 63.671 63.100 -0.072 0.000 0.822 326 P CB 0.279 31.930 31.700 -0.082 0.000 0.784 327 L N -0.966 120.209 121.223 -0.080 0.000 2.217 327 L HA -0.037 4.303 4.340 -0.000 0.000 0.211 327 L C 2.353 179.207 176.870 -0.026 0.000 1.107 327 L CA 1.125 55.917 54.840 -0.079 0.000 0.783 327 L CB -1.354 40.689 42.059 -0.026 0.000 0.919 327 L HN -0.181 nan 8.230 nan 0.000 0.442 328 L N -0.231 120.987 121.223 -0.009 0.000 1.994 328 L HA -0.195 4.144 4.340 -0.000 0.000 0.208 328 L C 2.478 179.332 176.870 -0.026 0.000 1.071 328 L CA 1.843 56.680 54.840 -0.006 0.000 0.745 328 L CB -0.871 41.184 42.059 -0.007 0.000 0.892 328 L HN 0.199 nan 8.230 nan 0.000 0.431 329 K N -0.473 119.905 120.400 -0.036 0.000 2.020 329 K HA -0.213 4.107 4.320 -0.000 0.000 0.212 329 K C 2.213 178.786 176.600 -0.045 0.000 1.050 329 K CA 2.112 58.375 56.287 -0.039 0.000 0.929 329 K CB -0.690 31.784 32.500 -0.042 0.000 0.714 329 K HN 0.366 nan 8.250 nan 0.000 0.443 330 L N 0.822 122.003 121.223 -0.070 0.000 2.013 330 L HA -0.252 4.088 4.340 -0.000 0.000 0.212 330 L C 2.481 179.329 176.870 -0.036 0.000 1.073 330 L CA 1.320 56.114 54.840 -0.077 0.000 0.753 330 L CB -0.346 41.616 42.059 -0.162 0.000 0.890 330 L HN 0.184 nan 8.230 nan 0.000 0.432 331 L N -1.432 119.778 121.223 -0.022 0.000 2.109 331 L HA -0.192 4.148 4.340 -0.000 0.000 0.207 331 L C 2.623 179.486 176.870 -0.012 0.000 1.086 331 L CA 0.961 55.801 54.840 0.000 0.000 0.760 331 L CB -0.427 41.644 42.059 0.020 0.000 0.910 331 L HN 0.286 nan 8.230 nan 0.000 0.437 332 Q N 0.091 119.877 119.800 -0.023 0.000 2.096 332 Q HA -0.261 4.079 4.340 -0.000 0.000 0.204 332 Q C 1.999 177.988 176.000 -0.018 0.000 0.982 332 Q CA 1.766 57.555 55.803 -0.025 0.000 0.850 332 Q CB -0.099 28.623 28.738 -0.027 0.000 0.901 332 Q HN 0.527 nan 8.270 nan 0.000 0.422 333 E N -0.185 120.006 120.200 -0.016 0.000 2.347 333 E HA -0.076 4.274 4.350 -0.000 0.000 0.196 333 E C 1.257 177.853 176.600 -0.006 0.000 1.008 333 E CA 0.646 57.039 56.400 -0.012 0.000 0.852 333 E CB 0.100 29.791 29.700 -0.014 0.000 0.783 333 E HN 0.291 nan 8.360 nan 0.000 0.505 334 A N 0.953 123.772 122.820 -0.002 0.000 2.307 334 A HA -0.045 4.275 4.320 -0.000 0.000 0.218 334 A C 1.720 179.307 177.584 0.005 0.000 1.228 334 A CA 0.156 52.197 52.037 0.005 0.000 0.857 334 A CB -0.035 18.974 19.000 0.015 0.000 0.897 334 A HN 0.279 nan 8.150 nan 0.000 0.495 335 Q N -2.680 117.119 119.800 -0.002 0.000 2.384 335 Q HA 0.138 4.478 4.340 -0.000 0.000 0.264 335 Q C 1.504 177.500 176.000 -0.007 0.000 0.825 335 Q CA -0.182 55.619 55.803 -0.003 0.000 0.984 335 Q CB -0.344 28.390 28.738 -0.006 0.000 1.183 335 Q HN 0.415 nan 8.270 nan 0.000 0.537 336 Q N 1.306 121.100 119.800 -0.010 0.000 2.030 336 Q HA -0.045 4.295 4.340 -0.000 0.000 0.204 336 Q C 1.031 177.026 176.000 -0.007 0.000 0.986 336 Q CA 1.892 57.689 55.803 -0.010 0.000 0.843 336 Q CB 0.272 29.003 28.738 -0.012 0.000 0.904 336 Q HN 0.353 nan 8.270 nan 0.000 0.420 337 S N 0.000 115.696 115.700 -0.006 0.000 2.498 337 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 337 S CA 0.000 58.197 58.200 -0.004 0.000 1.107 337 S CB 0.000 63.197 63.200 -0.005 0.000 0.593 337 S HN 0.000 nan 8.310 nan 0.000 0.517