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 1st0_1_B DATA FIRST_RESID 40 DATA SEQUENCE VRLPFSGFRL QKVLRESARD KIIFLHGKVN EASGDGDGED AVVILEKTPF DATA SEQUENCE QVEQVAQLLT GSPELQLQFS NDIYSTYHLF PPRQLNDVKT TVVYPATEKH DATA SEQUENCE LQKYLRQDLR LIRETGDDYR NITLPHLESQ SLSIQWVYNI LDKKAEADRI DATA SEQUENCE VFENPDPSDG FVLIPDLKWN QQQLDDLYLI AICHRRGIRS LRDLTPEHLP DATA SEQUENCE LLRNILHQGQ EAILQRYRMK GDHLRVYLHY LPSYYHLNVH FTALGFEAPG DATA SEQUENCE SGVERAHLLA EVIENLECDP RHYQQRTLTF ALRADDPLLK LLQEAQQ 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 40 V HA 0.000 nan 4.120 nan 0.000 0.244 40 V C 0.000 176.045 176.094 -0.081 0.000 1.182 40 V CA 0.000 62.262 62.300 -0.063 0.000 1.235 40 V CB 0.000 31.795 31.823 -0.047 0.000 1.184 41 R N 0.492 120.934 120.500 -0.098 0.000 2.740 41 R HA 0.653 4.993 4.340 -0.000 0.000 0.282 41 R C -1.282 174.893 176.300 -0.207 0.000 0.969 41 R CA -1.021 54.994 56.100 -0.142 0.000 0.918 41 R CB 2.208 32.430 30.300 -0.129 0.000 1.175 41 R HN 0.085 nan 8.270 nan 0.000 0.464 42 L N 3.531 124.565 121.223 -0.314 0.000 2.529 42 L HA 0.026 4.366 4.340 -0.000 0.000 0.287 42 L C -1.222 175.320 176.870 -0.548 0.000 1.241 42 L CA -1.079 53.438 54.840 -0.539 0.000 0.857 42 L CB 0.070 41.616 42.059 -0.856 0.000 1.113 42 L HN 0.553 nan 8.230 nan 0.000 0.504 43 P HA 0.037 nan 4.420 nan 0.000 0.253 43 P C -0.776 176.279 177.300 -0.409 0.000 1.281 43 P CA 0.459 63.381 63.100 -0.297 0.000 0.792 43 P CB -0.178 31.498 31.700 -0.039 0.000 1.193 44 F N -3.028 116.707 119.950 -0.359 0.000 2.692 44 F HA 0.755 5.282 4.527 -0.000 0.000 0.320 44 F C -0.575 175.130 175.800 -0.160 0.000 1.123 44 F CA -1.593 56.185 58.000 -0.371 0.000 0.961 44 F CB 0.406 39.079 39.000 -0.544 0.000 1.383 44 F HN -0.459 nan 8.300 nan 0.000 0.483 45 S N -0.081 115.741 115.700 0.204 0.000 2.513 45 S HA 0.798 5.268 4.470 -0.000 0.000 0.299 45 S C -0.163 174.593 174.600 0.259 0.000 1.087 45 S CA -0.343 57.959 58.200 0.169 0.000 1.012 45 S CB 1.094 64.334 63.200 0.066 0.000 1.044 45 S HN 1.726 nan 8.310 nan 0.000 0.485 46 G N 0.910 109.861 108.800 0.253 0.000 2.755 46 G HA2 0.033 3.993 3.960 -0.000 0.000 0.686 46 G HA3 0.033 3.993 3.960 -0.000 0.000 0.686 46 G C -1.135 173.961 174.900 0.328 0.000 1.427 46 G CA -0.671 44.562 45.100 0.222 0.000 0.873 46 G HN 1.017 nan 8.290 nan 0.000 0.580 47 F N 1.694 121.682 119.950 0.063 0.000 2.839 47 F HA 0.639 5.166 4.527 -0.000 0.000 0.344 47 F C -0.167 175.624 175.800 -0.015 0.000 1.242 47 F CA -0.886 57.119 58.000 0.008 0.000 1.091 47 F CB 1.336 40.393 39.000 0.096 0.000 1.374 47 F HN 0.685 nan 8.300 nan 0.000 0.553 48 R N 6.599 126.859 120.500 -0.399 0.000 2.295 48 R HA 0.525 4.865 4.340 -0.000 0.000 0.324 48 R C -1.365 174.596 176.300 -0.565 0.000 0.968 48 R CA -0.898 55.018 56.100 -0.308 0.000 0.837 48 R CB 1.358 31.533 30.300 -0.209 0.000 1.133 48 R HN 0.800 nan 8.270 nan 0.000 0.450 49 L N 3.758 124.809 121.223 -0.286 0.000 2.453 49 L HA 0.067 4.407 4.340 -0.000 0.000 0.272 49 L C 0.707 177.438 176.870 -0.231 0.000 1.182 49 L CA 0.880 55.587 54.840 -0.222 0.000 0.858 49 L CB 1.257 43.363 42.059 0.079 0.000 1.120 49 L HN 0.823 nan 8.230 nan 0.000 0.474 50 Q N 2.989 122.619 119.800 -0.284 0.000 2.532 50 Q HA 0.284 4.624 4.340 -0.000 0.000 0.247 50 Q C -0.428 175.488 176.000 -0.142 0.000 0.872 50 Q CA 0.134 55.755 55.803 -0.304 0.000 0.963 50 Q CB 0.512 28.841 28.738 -0.681 0.000 1.159 50 Q HN 0.667 nan 8.270 nan 0.000 0.598 51 K N -0.317 120.051 120.400 -0.053 0.000 2.569 51 K HA 0.323 4.643 4.320 -0.000 0.000 0.259 51 K C -1.725 174.947 176.600 0.118 0.000 0.932 51 K CA -0.574 55.745 56.287 0.054 0.000 0.833 51 K CB 2.091 34.653 32.500 0.104 0.000 1.340 51 K HN -0.049 nan 8.250 nan 0.000 0.429 52 V N 6.683 126.662 119.914 0.109 0.000 2.397 52 V HA 0.052 4.172 4.120 -0.000 0.000 0.262 52 V C 1.361 177.537 176.094 0.137 0.000 1.047 52 V CA 0.100 62.481 62.300 0.135 0.000 1.003 52 V CB 0.393 32.281 31.823 0.109 0.000 1.037 52 V HN 0.777 nan 8.190 nan 0.000 0.480 53 L N 4.157 125.487 121.223 0.178 0.000 2.109 53 L HA 0.112 4.451 4.340 -0.000 0.000 0.207 53 L C 1.256 178.174 176.870 0.080 0.000 1.086 53 L CA 1.231 56.160 54.840 0.148 0.000 0.760 53 L CB -0.122 42.059 42.059 0.202 0.000 0.910 53 L HN 0.686 nan 8.230 nan 0.000 0.437 54 R N 0.013 120.572 120.500 0.100 0.000 2.739 54 R HA 0.303 4.643 4.340 -0.000 0.000 0.266 54 R C -1.920 174.475 176.300 0.158 0.000 1.044 54 R CA -0.528 55.579 56.100 0.010 0.000 0.885 54 R CB 1.612 31.742 30.300 -0.282 0.000 1.260 54 R HN 0.155 nan 8.270 nan 0.000 0.477 55 E N 0.722 120.997 120.200 0.125 0.000 2.401 55 E HA 0.387 4.737 4.350 -0.000 0.000 0.280 55 E C -1.842 174.835 176.600 0.129 0.000 1.039 55 E CA -1.008 55.503 56.400 0.185 0.000 0.814 55 E CB 2.116 31.900 29.700 0.141 0.000 1.275 55 E HN 0.358 nan 8.360 nan 0.000 0.448 56 S N 0.156 115.938 115.700 0.137 0.000 2.776 56 S HA 0.568 5.038 4.470 -0.000 0.000 0.284 56 S C -0.065 174.580 174.600 0.075 0.000 1.160 56 S CA 0.039 58.296 58.200 0.096 0.000 1.051 56 S CB 1.124 64.389 63.200 0.107 0.000 1.037 56 S HN 0.798 nan 8.310 nan 0.000 0.485 57 A N 4.368 127.221 122.820 0.056 0.000 2.119 57 A HA 0.095 4.415 4.320 -0.000 0.000 0.216 57 A C 1.954 179.562 177.584 0.040 0.000 1.152 57 A CA 0.999 53.063 52.037 0.045 0.000 0.708 57 A CB -0.299 18.723 19.000 0.038 0.000 0.805 57 A HN 0.730 nan 8.150 nan 0.000 0.460 58 R N 0.519 121.043 120.500 0.040 0.000 2.075 58 R HA -0.033 4.307 4.340 -0.000 0.000 0.226 58 R C 0.614 176.940 176.300 0.044 0.000 1.114 58 R CA 1.853 57.974 56.100 0.036 0.000 0.972 58 R CB -0.349 29.969 30.300 0.030 0.000 0.869 58 R HN 0.327 nan 8.270 nan 0.000 0.437 59 D N 0.957 121.390 120.400 0.055 0.000 2.349 59 D HA 0.015 4.654 4.640 -0.000 0.000 0.215 59 D C -0.290 176.035 176.300 0.042 0.000 1.016 59 D CA 0.416 54.451 54.000 0.058 0.000 0.870 59 D CB 0.296 41.147 40.800 0.085 0.000 0.917 59 D HN 0.081 nan 8.370 nan 0.000 0.524 60 K N 0.191 120.614 120.400 0.039 0.000 3.372 60 K HA -0.207 4.113 4.320 -0.000 0.000 0.272 60 K C -0.201 176.402 176.600 0.005 0.000 1.037 60 K CA 0.287 56.585 56.287 0.019 0.000 0.777 60 K CB -2.117 30.383 32.500 -0.000 0.000 1.347 60 K HN 0.373 nan 8.250 nan 0.000 0.460 61 I N 0.376 120.965 120.570 0.033 0.000 2.769 61 I HA 0.609 4.779 4.170 -0.000 0.000 0.298 61 I C -0.546 175.605 176.117 0.056 0.000 1.128 61 I CA -1.416 59.884 61.300 -0.000 0.000 1.031 61 I CB 1.698 39.709 38.000 0.017 0.000 1.235 61 I HN 0.282 nan 8.210 nan 0.000 0.423 62 I N 1.992 122.545 120.570 -0.029 0.000 2.865 62 I HA 0.548 4.718 4.170 -0.000 0.000 0.302 62 I C -1.866 174.240 176.117 -0.017 0.000 1.140 62 I CA -0.666 60.693 61.300 0.097 0.000 1.021 62 I CB 2.376 40.413 38.000 0.061 0.000 1.233 62 I HN 0.353 nan 8.210 nan 0.000 0.427 63 F N 4.460 124.403 119.950 -0.010 0.000 2.496 63 F HA 0.608 5.135 4.527 -0.000 0.000 0.341 63 F C -0.513 175.306 175.800 0.031 0.000 1.134 63 F CA -0.491 57.479 58.000 -0.050 0.000 0.968 63 F CB 1.745 40.698 39.000 -0.079 0.000 1.205 63 F HN 0.201 nan 8.300 nan 0.000 0.436 64 L N 3.401 124.745 121.223 0.201 0.000 2.329 64 L HA 0.460 4.800 4.340 -0.000 0.000 0.279 64 L C -0.288 176.790 176.870 0.346 0.000 1.014 64 L CA -0.791 54.214 54.840 0.275 0.000 0.814 64 L CB 1.976 44.225 42.059 0.317 0.000 1.257 64 L HN 0.627 nan 8.230 nan 0.000 0.424 65 H N 2.025 121.201 119.070 0.176 0.000 2.556 65 H HA 0.562 5.118 4.556 -0.000 0.000 0.310 65 H C -0.557 174.742 175.328 -0.048 0.000 1.057 65 H CA -0.602 55.500 56.048 0.091 0.000 1.264 65 H CB 1.487 31.288 29.762 0.065 0.000 1.404 65 H HN 0.759 nan 8.280 nan 0.000 0.462 66 G N 4.096 112.851 108.800 -0.076 0.000 2.537 66 G HA2 0.252 4.212 3.960 -0.000 0.000 0.308 66 G HA3 0.252 4.212 3.960 -0.000 0.000 0.308 66 G C -1.078 173.488 174.900 -0.556 0.000 1.237 66 G CA -0.851 43.737 45.100 -0.854 0.000 0.968 66 G HN 0.502 nan 8.290 nan 0.000 0.481 67 K N 0.604 120.636 120.400 -0.613 0.000 2.211 67 K HA 0.470 4.789 4.320 -0.000 0.000 0.275 67 K C 0.036 176.409 176.600 -0.379 0.000 1.024 67 K CA -0.347 55.722 56.287 -0.363 0.000 0.887 67 K CB 1.658 34.006 32.500 -0.253 0.000 1.084 67 K HN 0.487 nan 8.250 nan 0.000 0.463 68 V N -0.365 119.378 119.914 -0.285 0.000 3.019 68 V HA 0.451 4.570 4.120 -0.000 0.000 0.317 68 V C 0.320 176.373 176.094 -0.069 0.000 1.094 68 V CA -0.862 61.283 62.300 -0.259 0.000 1.000 68 V CB 1.605 33.022 31.823 -0.677 0.000 1.060 68 V HN 0.855 nan 8.190 nan 0.000 0.443 69 N N 0.281 118.989 118.700 0.014 0.000 2.753 69 N HA -0.217 4.523 4.740 -0.000 0.000 0.251 69 N C 0.951 176.477 175.510 0.027 0.000 1.097 69 N CA 1.514 54.594 53.050 0.050 0.000 0.786 69 N CB -1.109 37.426 38.487 0.082 0.000 1.137 69 N HN 0.981 nan 8.380 nan 0.000 0.566 70 E N 0.089 120.289 120.200 -0.000 0.000 2.150 70 E HA -0.007 4.342 4.350 -0.000 0.000 0.193 70 E C 1.339 177.942 176.600 0.005 0.000 0.985 70 E CA 1.375 57.770 56.400 -0.008 0.000 0.814 70 E CB 0.013 29.692 29.700 -0.035 0.000 0.752 70 E HN 0.516 nan 8.360 nan 0.000 0.466 71 A N 0.824 123.653 122.820 0.015 0.000 2.577 71 A HA 0.212 4.531 4.320 -0.000 0.000 0.280 71 A C -0.081 177.518 177.584 0.025 0.000 1.331 71 A CA -0.279 51.769 52.037 0.018 0.000 0.935 71 A CB 0.146 19.157 19.000 0.018 0.000 1.082 71 A HN 0.107 nan 8.150 nan 0.000 0.525 72 S N -2.827 112.891 115.700 0.030 0.000 2.685 72 S HA 0.787 5.257 4.470 -0.000 0.000 0.282 72 S C 0.971 175.592 174.600 0.035 0.000 1.159 72 S CA -0.238 57.982 58.200 0.033 0.000 0.833 72 S CB 0.823 64.048 63.200 0.041 0.000 1.151 72 S HN 1.640 nan 8.310 nan 0.000 0.485 73 G N 1.732 110.554 108.800 0.036 0.000 2.704 73 G HA2 -0.430 3.530 3.960 -0.000 0.000 0.344 73 G HA3 -0.430 3.530 3.960 -0.000 0.000 0.344 73 G C 0.665 175.582 174.900 0.028 0.000 1.200 73 G CA 1.291 46.412 45.100 0.035 0.000 0.962 73 G HN 0.804 nan 8.290 nan 0.000 0.552 74 D N 1.412 121.829 120.400 0.029 0.000 2.137 74 D HA 0.176 4.816 4.640 -0.000 0.000 0.202 74 D C 2.237 178.547 176.300 0.017 0.000 0.970 74 D CA 2.393 56.406 54.000 0.022 0.000 0.837 74 D CB -0.473 40.341 40.800 0.024 0.000 0.981 74 D HN 1.656 nan 8.370 nan 0.000 0.475 75 G N 0.592 109.402 108.800 0.017 0.000 2.259 75 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.217 75 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.217 75 G C 0.186 175.091 174.900 0.008 0.000 1.001 75 G CA 0.251 45.358 45.100 0.010 0.000 0.627 75 G HN 0.382 nan 8.290 nan 0.000 0.501 76 D N 2.350 122.758 120.400 0.014 0.000 2.367 76 D HA 0.473 5.113 4.640 -0.000 0.000 0.255 76 D C 1.202 177.513 176.300 0.019 0.000 1.300 76 D CA 0.841 54.849 54.000 0.015 0.000 0.959 76 D CB 0.065 40.876 40.800 0.019 0.000 1.064 76 D HN 0.538 nan 8.370 nan 0.000 0.509 77 G N 3.511 112.312 108.800 0.003 0.000 2.340 77 G HA2 0.115 4.075 3.960 -0.000 0.000 0.245 77 G HA3 0.115 4.075 3.960 -0.000 0.000 0.245 77 G C 0.095 175.003 174.900 0.014 0.000 1.294 77 G CA -0.303 44.793 45.100 -0.007 0.000 0.896 77 G HN 0.492 nan 8.290 nan 0.000 0.522 78 E N 1.154 121.378 120.200 0.040 0.000 2.227 78 E HA 0.218 4.568 4.350 -0.000 0.000 0.268 78 E C -0.706 175.930 176.600 0.060 0.000 0.990 78 E CA -0.786 55.661 56.400 0.078 0.000 0.856 78 E CB 1.440 31.249 29.700 0.182 0.000 1.159 78 E HN 0.410 nan 8.360 nan 0.000 0.401 79 D N 0.641 121.091 120.400 0.083 0.000 2.256 79 D HA 0.457 5.096 4.640 -0.000 0.000 0.250 79 D C -0.891 175.477 176.300 0.114 0.000 1.093 79 D CA -0.056 54.016 54.000 0.120 0.000 0.882 79 D CB 1.647 42.514 40.800 0.112 0.000 1.185 79 D HN 0.408 nan 8.370 nan 0.000 0.437 80 A N 1.654 124.539 122.820 0.109 0.000 2.475 80 A HA 0.583 4.903 4.320 -0.000 0.000 0.301 80 A C -0.939 176.753 177.584 0.181 0.000 1.059 80 A CA -0.674 51.437 52.037 0.123 0.000 0.710 80 A CB 1.529 20.487 19.000 -0.071 0.000 1.288 80 A HN 0.310 nan 8.150 nan 0.000 0.408 81 V N 1.692 121.697 119.914 0.153 0.000 2.435 81 V HA 0.566 4.686 4.120 -0.000 0.000 0.290 81 V C -0.499 175.674 176.094 0.130 0.000 1.030 81 V CA -0.407 61.981 62.300 0.147 0.000 0.881 81 V CB 1.526 33.404 31.823 0.091 0.000 0.983 81 V HN 0.677 nan 8.190 nan 0.000 0.445 82 V N 6.329 126.317 119.914 0.125 0.000 2.531 82 V HA 0.547 4.667 4.120 -0.000 0.000 0.301 82 V C -0.405 175.621 176.094 -0.114 0.000 1.034 82 V CA -0.444 61.867 62.300 0.019 0.000 0.865 82 V CB 1.844 33.666 31.823 -0.003 0.000 0.995 82 V HN 0.679 nan 8.190 nan 0.000 0.424 83 I N 5.672 126.095 120.570 -0.245 0.000 2.378 83 I HA 0.510 4.680 4.170 -0.000 0.000 0.291 83 I C -0.788 175.122 176.117 -0.345 0.000 0.992 83 I CA -0.480 60.532 61.300 -0.480 0.000 1.154 83 I CB 1.602 39.155 38.000 -0.746 0.000 1.315 83 I HN 0.267 nan 8.210 nan 0.000 0.448 84 L N 5.716 126.754 121.223 -0.309 0.000 2.365 84 L HA 0.623 4.963 4.340 -0.000 0.000 0.273 84 L C -0.592 176.163 176.870 -0.193 0.000 1.000 84 L CA -0.518 54.197 54.840 -0.209 0.000 0.819 84 L CB 2.016 43.985 42.059 -0.149 0.000 1.284 84 L HN 0.673 nan 8.230 nan 0.000 0.418 85 E N 2.557 122.665 120.200 -0.153 0.000 2.263 85 E HA 0.301 4.651 4.350 -0.000 0.000 0.268 85 E C -0.965 175.576 176.600 -0.099 0.000 0.884 85 E CA -0.773 55.555 56.400 -0.120 0.000 0.766 85 E CB 2.102 31.729 29.700 -0.121 0.000 1.196 85 E HN 0.385 nan 8.360 nan 0.000 0.416 86 K N 1.701 122.049 120.400 -0.086 0.000 2.336 86 K HA 0.114 4.434 4.320 -0.000 0.000 0.262 86 K C 0.145 176.670 176.600 -0.125 0.000 0.992 86 K CA 0.177 56.400 56.287 -0.107 0.000 0.927 86 K CB 0.647 33.085 32.500 -0.104 0.000 0.956 86 K HN 0.670 nan 8.250 nan 0.000 0.495 87 T N -0.507 113.943 114.554 -0.174 0.000 2.925 87 T HA 0.501 4.851 4.350 -0.000 0.000 0.285 87 T C -2.218 172.325 174.700 -0.261 0.000 1.021 87 T CA -1.834 60.161 62.100 -0.175 0.000 1.042 87 T CB 1.040 69.817 68.868 -0.151 0.000 1.037 87 T HN 0.241 nan 8.240 nan 0.000 0.481 88 P HA 0.318 nan 4.420 nan 0.000 0.271 88 P C -0.737 176.430 177.300 -0.221 0.000 1.233 88 P CA -0.610 62.398 63.100 -0.155 0.000 0.789 88 P CB 0.188 31.870 31.700 -0.029 0.000 0.951 89 F N 0.054 120.002 119.950 -0.003 0.000 2.418 89 F HA 0.182 4.709 4.527 -0.000 0.000 0.341 89 F C 1.294 177.092 175.800 -0.004 0.000 1.120 89 F CA 0.127 58.123 58.000 -0.006 0.000 1.232 89 F CB 0.586 39.581 39.000 -0.009 0.000 1.175 89 F HN 0.078 nan 8.300 nan 0.000 0.569 90 Q N 1.977 121.890 119.800 0.189 0.000 2.307 90 Q HA 0.238 4.578 4.340 -0.000 0.000 0.262 90 Q C 0.981 177.045 176.000 0.108 0.000 0.961 90 Q CA -0.350 55.520 55.803 0.111 0.000 0.882 90 Q CB 1.852 30.628 28.738 0.064 0.000 1.264 90 Q HN 0.578 nan 8.270 nan 0.000 0.446 91 V N 2.190 122.149 119.914 0.074 0.000 2.317 91 V HA -0.316 3.804 4.120 -0.000 0.000 0.251 91 V C 2.002 178.114 176.094 0.030 0.000 1.065 91 V CA 2.401 64.726 62.300 0.042 0.000 1.049 91 V CB -0.279 31.559 31.823 0.025 0.000 0.651 91 V HN 0.726 nan 8.190 nan 0.000 0.450 92 E N 0.016 120.235 120.200 0.031 0.000 2.107 92 E HA -0.180 4.170 4.350 -0.000 0.000 0.191 92 E C 2.282 178.896 176.600 0.024 0.000 0.982 92 E CA 1.188 57.600 56.400 0.020 0.000 0.809 92 E CB -0.237 29.473 29.700 0.017 0.000 0.756 92 E HN 0.691 nan 8.360 nan 0.000 0.459 93 Q N -0.562 119.262 119.800 0.040 0.000 2.124 93 Q HA -0.118 4.221 4.340 -0.000 0.000 0.202 93 Q C 2.201 178.228 176.000 0.046 0.000 0.977 93 Q CA 1.513 57.344 55.803 0.047 0.000 0.850 93 Q CB 0.028 28.805 28.738 0.065 0.000 0.901 93 Q HN 0.193 nan 8.270 nan 0.000 0.429 94 V N 0.744 120.686 119.914 0.048 0.000 2.323 94 V HA -0.208 3.912 4.120 -0.000 0.000 0.244 94 V C 2.258 178.335 176.094 -0.028 0.000 1.041 94 V CA 1.618 63.920 62.300 0.003 0.000 1.025 94 V CB -0.848 30.946 31.823 -0.049 0.000 0.656 94 V HN 0.392 nan 8.190 nan 0.000 0.451 95 A N -0.119 122.687 122.820 -0.023 0.000 1.917 95 A HA -0.355 3.965 4.320 -0.000 0.000 0.219 95 A C 2.258 179.829 177.584 -0.021 0.000 1.182 95 A CA 2.489 54.510 52.037 -0.027 0.000 0.633 95 A CB -0.604 18.384 19.000 -0.019 0.000 0.819 95 A HN 0.688 nan 8.150 nan 0.000 0.448 96 Q N -0.895 118.900 119.800 -0.009 0.000 2.083 96 Q HA -0.139 4.201 4.340 -0.000 0.000 0.198 96 Q C 1.974 177.969 176.000 -0.010 0.000 0.969 96 Q CA 1.572 57.371 55.803 -0.007 0.000 0.838 96 Q CB -0.342 28.397 28.738 0.001 0.000 0.900 96 Q HN 0.467 nan 8.270 nan 0.000 0.436 97 L N 0.890 122.110 121.223 -0.006 0.000 2.043 97 L HA -0.166 4.174 4.340 -0.000 0.000 0.212 97 L C 2.064 178.916 176.870 -0.029 0.000 1.075 97 L CA 1.740 56.574 54.840 -0.009 0.000 0.752 97 L CB -0.491 41.569 42.059 0.001 0.000 0.891 97 L HN 0.370 nan 8.230 nan 0.000 0.432 98 L N -1.093 120.105 121.223 -0.042 0.000 2.179 98 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 98 L C 2.425 179.264 176.870 -0.052 0.000 1.096 98 L CA 1.310 56.114 54.840 -0.061 0.000 0.779 98 L CB -0.857 41.156 42.059 -0.076 0.000 0.922 98 L HN 0.501 nan 8.230 nan 0.000 0.443 99 T N -3.620 110.912 114.554 -0.038 0.000 2.951 99 T HA -0.078 4.272 4.350 -0.000 0.000 0.268 99 T C 1.751 176.433 174.700 -0.029 0.000 1.073 99 T CA 0.907 62.988 62.100 -0.032 0.000 1.134 99 T CB -0.582 68.272 68.868 -0.024 0.000 0.884 99 T HN 0.351 nan 8.240 nan 0.000 0.479 100 G N 0.422 109.207 108.800 -0.026 0.000 2.882 100 G HA2 0.212 4.172 3.960 -0.000 0.000 0.206 100 G HA3 0.212 4.172 3.960 -0.000 0.000 0.206 100 G C 0.354 175.238 174.900 -0.026 0.000 1.155 100 G CA 0.248 45.335 45.100 -0.021 0.000 0.800 100 G HN 0.659 nan 8.290 nan 0.000 0.524 101 S N 0.598 116.275 115.700 -0.039 0.000 3.341 101 S HA -0.113 4.357 4.470 -0.000 0.000 0.414 101 S C -0.980 173.594 174.600 -0.044 0.000 0.869 101 S CA 0.345 58.515 58.200 -0.050 0.000 1.349 101 S CB -0.247 62.929 63.200 -0.040 0.000 0.938 101 S HN 0.591 nan 8.310 nan 0.000 0.615 102 P HA 0.330 nan 4.420 nan 0.000 0.328 102 P C -0.378 176.914 177.300 -0.014 0.000 1.305 102 P CA -0.482 62.601 63.100 -0.028 0.000 0.745 102 P CB 0.406 32.087 31.700 -0.031 0.000 1.462 103 E N 0.223 120.439 120.200 0.028 0.000 1.893 103 E HA 0.376 4.726 4.350 -0.000 0.000 0.269 103 E C -1.005 175.678 176.600 0.139 0.000 1.129 103 E CA -0.272 56.178 56.400 0.084 0.000 0.904 103 E CB -0.995 28.778 29.700 0.122 0.000 1.077 103 E HN 0.226 nan 8.360 nan 0.000 0.407 104 L N 3.179 124.467 121.223 0.109 0.000 2.381 104 L HA 0.464 4.803 4.340 -0.000 0.000 0.268 104 L C -0.433 176.582 176.870 0.243 0.000 0.997 104 L CA -0.886 54.043 54.840 0.148 0.000 0.818 104 L CB 2.162 44.200 42.059 -0.035 0.000 1.310 104 L HN 0.469 nan 8.230 nan 0.000 0.416 105 Q N 2.731 122.742 119.800 0.351 0.000 2.309 105 Q HA 0.378 4.718 4.340 -0.000 0.000 0.270 105 Q C -1.414 174.809 176.000 0.372 0.000 1.023 105 Q CA -0.995 55.002 55.803 0.324 0.000 0.758 105 Q CB 2.412 31.348 28.738 0.329 0.000 1.247 105 Q HN 0.573 nan 8.270 nan 0.000 0.455 106 L N 3.520 124.901 121.223 0.262 0.000 2.455 106 L HA 0.022 4.362 4.340 -0.000 0.000 0.272 106 L C 0.723 177.633 176.870 0.066 0.000 1.174 106 L CA 0.923 55.794 54.840 0.052 0.000 0.869 106 L CB 1.163 43.234 42.059 0.019 0.000 1.130 106 L HN 0.815 nan 8.230 nan 0.000 0.474 107 Q N 4.960 124.722 119.800 -0.064 0.000 2.263 107 Q HA 0.279 4.619 4.340 -0.000 0.000 0.196 107 Q C -0.513 175.572 176.000 0.142 0.000 0.965 107 Q CA 1.443 57.301 55.803 0.092 0.000 0.851 107 Q CB 0.249 29.015 28.738 0.048 0.000 0.948 107 Q HN 0.647 nan 8.270 nan 0.000 0.516 108 F N -1.966 117.886 119.950 -0.164 0.000 2.817 108 F HA 0.732 5.259 4.527 -0.000 0.000 0.317 108 F C -1.532 174.178 175.800 -0.150 0.000 1.168 108 F CA -0.680 57.249 58.000 -0.118 0.000 0.911 108 F CB 0.670 39.631 39.000 -0.065 0.000 1.337 108 F HN -0.068 nan 8.300 nan 0.000 0.464 109 S N 1.422 117.093 115.700 -0.048 0.000 2.564 109 S HA 0.734 5.204 4.470 -0.000 0.000 0.274 109 S C -1.937 172.766 174.600 0.171 0.000 1.124 109 S CA -0.676 57.435 58.200 -0.148 0.000 0.869 109 S CB 1.922 65.066 63.200 -0.094 0.000 1.105 109 S HN 1.026 nan 8.310 nan 0.000 0.472 110 N N 0.850 119.649 118.700 0.165 0.000 2.599 110 N HA 0.320 5.060 4.740 -0.000 0.000 0.283 110 N C -0.592 175.041 175.510 0.205 0.000 1.160 110 N CA 0.274 53.465 53.050 0.235 0.000 0.869 110 N CB 1.384 40.089 38.487 0.363 0.000 1.448 110 N HN 0.933 nan 8.380 nan 0.000 0.535 111 D N 1.348 121.820 120.400 0.119 0.000 3.639 111 D HA -0.290 4.350 4.640 -0.000 0.000 0.162 111 D C 1.102 177.398 176.300 -0.007 0.000 1.054 111 D CA 2.728 56.774 54.000 0.077 0.000 1.085 111 D CB -0.994 39.889 40.800 0.138 0.000 0.547 111 D HN 0.532 nan 8.370 nan 0.000 0.595 112 I N -1.620 118.867 120.570 -0.138 0.000 3.444 112 I HA 0.149 4.319 4.170 -0.000 0.000 0.287 112 I C 0.097 175.949 176.117 -0.441 0.000 1.302 112 I CA 0.149 61.254 61.300 -0.324 0.000 1.368 112 I CB -0.468 37.272 38.000 -0.434 0.000 1.048 112 I HN 0.145 nan 8.210 nan 0.000 0.487 113 Y N 1.866 122.142 120.300 -0.040 0.000 2.341 113 Y HA 0.598 5.148 4.550 -0.000 0.000 0.337 113 Y C 0.417 176.180 175.900 -0.229 0.000 1.014 113 Y CA -0.695 57.346 58.100 -0.098 0.000 1.111 113 Y CB 1.648 40.078 38.460 -0.051 0.000 1.194 113 Y HN 0.168 nan 8.280 nan 0.000 0.462 114 S N 0.415 116.018 115.700 -0.162 0.000 2.556 114 S HA 0.848 5.318 4.470 -0.000 0.000 0.271 114 S C -0.749 173.531 174.600 -0.534 0.000 1.135 114 S CA -0.865 57.063 58.200 -0.454 0.000 0.858 114 S CB 1.956 64.982 63.200 -0.290 0.000 1.114 114 S HN 0.682 nan 8.310 nan 0.000 0.468 115 T N -0.717 113.300 114.554 -0.895 0.000 2.906 115 T HA 0.839 5.189 4.350 -0.000 0.000 0.295 115 T C -1.635 172.601 174.700 -0.774 0.000 1.075 115 T CA -0.624 61.111 62.100 -0.608 0.000 1.005 115 T CB 1.076 69.703 68.868 -0.402 0.000 1.136 115 T HN 0.747 nan 8.240 nan 0.000 0.498 116 Y N -1.405 118.781 120.300 -0.190 0.000 2.638 116 Y HA 0.473 5.023 4.550 -0.000 0.000 0.335 116 Y C -0.065 175.684 175.900 -0.252 0.000 1.155 116 Y CA -1.261 56.765 58.100 -0.123 0.000 1.046 116 Y CB 1.621 40.048 38.460 -0.055 0.000 1.303 116 Y HN 0.720 nan 8.280 nan 0.000 0.460 117 H N 2.146 121.298 119.070 0.136 0.000 2.488 117 H HA 0.491 5.047 4.556 -0.000 0.000 0.322 117 H C -1.309 173.962 175.328 -0.096 0.000 1.078 117 H CA -0.668 55.359 56.048 -0.036 0.000 1.260 117 H CB 2.372 32.155 29.762 0.035 0.000 1.425 117 H HN 0.436 nan 8.280 nan 0.000 0.471 118 L N 3.708 124.806 121.223 -0.208 0.000 2.341 118 L HA 0.393 4.733 4.340 -0.000 0.000 0.278 118 L C -1.591 175.025 176.870 -0.423 0.000 1.005 118 L CA -0.470 54.272 54.840 -0.163 0.000 0.818 118 L CB 0.758 42.767 42.059 -0.083 0.000 1.259 118 L HN 0.340 nan 8.230 nan 0.000 0.418 119 F N 6.397 126.393 119.950 0.077 0.000 2.307 119 F HA 0.556 5.083 4.527 -0.000 0.000 0.369 119 F C -1.969 173.860 175.800 0.048 0.000 1.076 119 F CA -1.597 56.441 58.000 0.063 0.000 1.149 119 F CB 0.690 39.720 39.000 0.051 0.000 1.410 119 F HN 0.437 nan 8.300 nan 0.000 0.481 120 P HA 0.370 nan 4.420 nan 0.000 0.278 120 P C -2.600 174.756 177.300 0.094 0.000 1.266 120 P CA -1.744 61.414 63.100 0.098 0.000 0.807 120 P CB 0.187 31.939 31.700 0.086 0.000 1.094 121 P HA 0.167 nan 4.420 nan 0.000 0.272 121 P C 1.053 178.378 177.300 0.041 0.000 1.240 121 P CA -0.337 62.793 63.100 0.050 0.000 0.791 121 P CB 0.485 32.206 31.700 0.036 0.000 0.978 122 R N 0.909 121.427 120.500 0.029 0.000 2.133 122 R HA -0.286 4.054 4.340 -0.000 0.000 0.247 122 R C 1.669 177.974 176.300 0.008 0.000 1.151 122 R CA 2.054 58.163 56.100 0.017 0.000 0.971 122 R CB -0.386 29.919 30.300 0.008 0.000 0.866 122 R HN 0.450 nan 8.270 nan 0.000 0.447 123 Q N 0.053 119.859 119.800 0.010 0.000 2.170 123 Q HA -0.114 4.226 4.340 -0.000 0.000 0.203 123 Q C 1.674 177.674 176.000 -0.000 0.000 0.976 123 Q CA 1.243 57.049 55.803 0.005 0.000 0.858 123 Q CB -0.011 28.734 28.738 0.012 0.000 0.907 123 Q HN 0.319 nan 8.270 nan 0.000 0.433 124 L N 0.388 121.618 121.223 0.012 0.000 2.592 124 L HA 0.068 4.408 4.340 -0.000 0.000 0.227 124 L C 0.582 177.421 176.870 -0.052 0.000 1.127 124 L CA 0.378 55.218 54.840 -0.000 0.000 0.884 124 L CB 0.125 42.227 42.059 0.072 0.000 1.065 124 L HN 0.149 nan 8.230 nan 0.000 0.457 125 N N -1.192 117.487 118.700 -0.034 0.000 2.236 125 N HA -0.003 4.737 4.740 -0.000 0.000 0.196 125 N C 0.176 175.651 175.510 -0.057 0.000 1.114 125 N CA -0.001 53.026 53.050 -0.039 0.000 0.859 125 N CB -0.008 38.478 38.487 -0.001 0.000 0.982 125 N HN 0.163 nan 8.380 nan 0.000 0.493 126 D N 0.993 121.353 120.400 -0.067 0.000 2.533 126 D HA -0.028 4.612 4.640 -0.000 0.000 0.236 126 D C -0.543 175.706 176.300 -0.085 0.000 1.137 126 D CA 0.467 54.426 54.000 -0.069 0.000 0.867 126 D CB 0.806 41.566 40.800 -0.067 0.000 1.170 126 D HN -0.218 nan 8.370 nan 0.000 0.474 127 V N 5.208 125.076 119.914 -0.078 0.000 2.409 127 V HA 0.176 4.296 4.120 -0.000 0.000 0.291 127 V C 0.381 176.423 176.094 -0.087 0.000 1.020 127 V CA -0.973 61.276 62.300 -0.086 0.000 0.848 127 V CB 1.548 33.322 31.823 -0.082 0.000 0.990 127 V HN 0.493 nan 8.190 nan 0.000 0.430 128 K N 3.355 123.700 120.400 -0.092 0.000 2.378 128 K HA 0.305 4.624 4.320 -0.000 0.000 0.288 128 K C -0.424 176.110 176.600 -0.109 0.000 1.057 128 K CA 0.110 56.343 56.287 -0.090 0.000 0.971 128 K CB 0.399 32.850 32.500 -0.082 0.000 0.975 128 K HN 0.729 nan 8.250 nan 0.000 0.475 129 T N 3.702 118.195 114.554 -0.102 0.000 2.833 129 T HA 0.193 4.543 4.350 -0.000 0.000 0.297 129 T C -0.893 173.747 174.700 -0.100 0.000 1.015 129 T CA -0.587 61.444 62.100 -0.115 0.000 0.963 129 T CB 1.464 70.267 68.868 -0.109 0.000 0.955 129 T HN 0.485 nan 8.240 nan 0.000 0.449 130 T N 3.247 117.729 114.554 -0.121 0.000 2.771 130 T HA 0.533 4.883 4.350 -0.000 0.000 0.281 130 T C -0.053 174.613 174.700 -0.058 0.000 0.982 130 T CA -0.518 61.529 62.100 -0.088 0.000 0.978 130 T CB 1.010 69.811 68.868 -0.112 0.000 0.930 130 T HN 0.316 nan 8.240 nan 0.000 0.447 131 V N 4.078 123.995 119.914 0.005 0.000 2.417 131 V HA 0.458 4.577 4.120 -0.000 0.000 0.291 131 V C -0.178 175.971 176.094 0.091 0.000 1.024 131 V CA -0.814 61.539 62.300 0.089 0.000 0.861 131 V CB 1.819 33.730 31.823 0.147 0.000 0.985 131 V HN 0.681 nan 8.190 nan 0.000 0.436 132 V N 5.807 125.772 119.914 0.086 0.000 2.334 132 V HA 0.512 4.632 4.120 -0.000 0.000 0.281 132 V C -0.957 175.213 176.094 0.128 0.000 1.016 132 V CA -0.556 61.749 62.300 0.008 0.000 0.832 132 V CB 0.975 32.688 31.823 -0.185 0.000 0.999 132 V HN 0.820 nan 8.190 nan 0.000 0.439 133 Y N 6.511 126.831 120.300 0.034 0.000 2.399 133 Y HA 0.690 5.240 4.550 -0.000 0.000 0.327 133 Y C -2.684 173.265 175.900 0.081 0.000 1.111 133 Y CA -2.183 55.973 58.100 0.092 0.000 1.047 133 Y CB 1.825 40.434 38.460 0.249 0.000 1.259 133 Y HN 0.593 nan 8.280 nan 0.000 0.434 134 P HA 0.496 nan 4.420 nan 0.000 0.271 134 P C -1.136 176.081 177.300 -0.138 0.000 1.216 134 P CA -0.238 62.531 63.100 -0.552 0.000 0.776 134 P CB 0.952 32.379 31.700 -0.454 0.000 0.881 135 A N 1.822 124.633 122.820 -0.015 0.000 2.309 135 A HA 0.560 4.879 4.320 -0.000 0.000 0.298 135 A C 0.641 178.322 177.584 0.162 0.000 1.165 135 A CA -0.326 51.752 52.037 0.068 0.000 0.821 135 A CB 0.029 19.051 19.000 0.038 0.000 1.102 135 A HN 0.658 nan 8.150 nan 0.000 0.500 136 T N -0.669 114.117 114.554 0.387 0.000 2.847 136 T HA 0.339 4.688 4.350 -0.000 0.000 0.279 136 T C 0.890 175.611 174.700 0.034 0.000 0.984 136 T CA 0.184 62.351 62.100 0.112 0.000 0.988 136 T CB 0.988 69.846 68.868 -0.017 0.000 1.040 136 T HN 0.602 nan 8.240 nan 0.000 0.528 137 E N 0.468 120.653 120.200 -0.025 0.000 2.160 137 E HA -0.159 4.191 4.350 -0.000 0.000 0.195 137 E C 1.995 178.556 176.600 -0.066 0.000 0.991 137 E CA 1.566 57.939 56.400 -0.044 0.000 0.810 137 E CB -0.290 29.390 29.700 -0.034 0.000 0.742 137 E HN 0.771 nan 8.360 nan 0.000 0.466 138 K N -1.217 119.113 120.400 -0.117 0.000 2.148 138 K HA -0.163 4.157 4.320 -0.000 0.000 0.204 138 K C 1.763 178.245 176.600 -0.196 0.000 1.050 138 K CA 1.440 57.621 56.287 -0.176 0.000 0.942 138 K CB -0.155 32.203 32.500 -0.237 0.000 0.724 138 K HN 0.359 nan 8.250 nan 0.000 0.446 139 H N -0.009 119.036 119.070 -0.041 0.000 2.395 139 H HA -0.019 4.537 4.556 -0.000 0.000 0.299 139 H C 1.922 177.260 175.328 0.016 0.000 1.070 139 H CA 1.406 57.450 56.048 -0.007 0.000 1.356 139 H CB 0.129 29.949 29.762 0.097 0.000 1.401 139 H HN 0.069 nan 8.280 nan 0.000 0.524 140 L N 0.078 121.360 121.223 0.098 0.000 2.046 140 L HA -0.220 4.119 4.340 -0.000 0.000 0.208 140 L C 2.359 179.244 176.870 0.026 0.000 1.077 140 L CA 1.215 56.077 54.840 0.036 0.000 0.747 140 L CB -0.316 41.684 42.059 -0.099 0.000 0.896 140 L HN 0.268 nan 8.230 nan 0.000 0.432 141 Q N 0.122 119.904 119.800 -0.029 0.000 2.119 141 Q HA -0.195 4.145 4.340 -0.000 0.000 0.201 141 Q C 2.200 178.142 176.000 -0.098 0.000 0.972 141 Q CA 1.415 57.187 55.803 -0.053 0.000 0.847 141 Q CB -0.046 28.652 28.738 -0.066 0.000 0.903 141 Q HN 0.230 nan 8.270 nan 0.000 0.433 142 K N -0.857 119.434 120.400 -0.181 0.000 2.063 142 K HA -0.192 4.127 4.320 -0.000 0.000 0.208 142 K C 1.295 177.681 176.600 -0.357 0.000 1.048 142 K CA 1.538 57.623 56.287 -0.337 0.000 0.928 142 K CB -0.068 32.097 32.500 -0.558 0.000 0.713 142 K HN 0.341 nan 8.250 nan 0.000 0.442 143 Y N 0.131 120.413 120.300 -0.030 0.000 2.503 143 Y HA 0.064 4.614 4.550 -0.000 0.000 0.278 143 Y C 0.555 176.362 175.900 -0.156 0.000 1.111 143 Y CA -0.902 57.119 58.100 -0.132 0.000 1.270 143 Y CB 0.271 38.715 38.460 -0.027 0.000 1.063 143 Y HN 0.018 nan 8.280 nan 0.000 0.548 144 L N 1.980 123.232 121.223 0.048 0.000 2.540 144 L HA 0.097 4.437 4.340 -0.000 0.000 0.276 144 L C -0.396 176.461 176.870 -0.020 0.000 1.212 144 L CA 0.364 55.219 54.840 0.025 0.000 0.893 144 L CB 0.142 42.218 42.059 0.028 0.000 1.138 144 L HN 0.045 nan 8.230 nan 0.000 0.491 145 R N 2.684 123.172 120.500 -0.020 0.000 2.574 145 R HA 0.443 4.783 4.340 -0.000 0.000 0.288 145 R C -1.097 175.198 176.300 -0.009 0.000 1.004 145 R CA -0.670 55.411 56.100 -0.030 0.000 0.895 145 R CB 1.448 31.714 30.300 -0.057 0.000 1.191 145 R HN 0.544 nan 8.270 nan 0.000 0.444 146 Q N 1.419 121.214 119.800 -0.008 0.000 2.327 146 Q HA 0.171 4.511 4.340 -0.000 0.000 0.254 146 Q C -0.368 175.632 176.000 -0.001 0.000 0.952 146 Q CA -0.021 55.782 55.803 -0.001 0.000 0.884 146 Q CB 0.646 29.383 28.738 -0.002 0.000 1.224 146 Q HN 0.454 nan 8.270 nan 0.000 0.422 147 D N 1.068 121.470 120.400 0.004 0.000 2.361 147 D HA 0.205 4.845 4.640 -0.000 0.000 0.239 147 D C 0.128 176.427 176.300 -0.001 0.000 1.200 147 D CA 0.072 54.074 54.000 0.003 0.000 0.915 147 D CB 0.759 41.562 40.800 0.006 0.000 1.170 147 D HN 0.265 nan 8.370 nan 0.000 0.444 148 L N 0.883 122.105 121.223 -0.003 0.000 2.330 148 L HA 0.523 4.863 4.340 -0.000 0.000 0.271 148 L C 0.291 177.155 176.870 -0.011 0.000 1.013 148 L CA -0.872 53.965 54.840 -0.005 0.000 0.816 148 L CB 1.351 43.407 42.059 -0.005 0.000 1.287 148 L HN 0.054 nan 8.230 nan 0.000 0.435 149 R N 1.836 122.326 120.500 -0.017 0.000 2.621 149 R HA 0.495 4.834 4.340 -0.000 0.000 0.284 149 R C -1.256 175.010 176.300 -0.058 0.000 0.998 149 R CA -1.022 55.058 56.100 -0.034 0.000 0.895 149 R CB 2.403 32.682 30.300 -0.035 0.000 1.195 149 R HN 0.326 nan 8.270 nan 0.000 0.450 150 L N 2.351 123.531 121.223 -0.072 0.000 2.417 150 L HA 0.431 4.771 4.340 -0.000 0.000 0.268 150 L C -0.488 176.273 176.870 -0.181 0.000 1.158 150 L CA -0.093 54.679 54.840 -0.113 0.000 0.819 150 L CB 0.602 42.612 42.059 -0.082 0.000 1.112 150 L HN 0.532 nan 8.230 nan 0.000 0.458 151 I N 3.333 123.706 120.570 -0.329 0.000 2.656 151 I HA 0.421 4.590 4.170 -0.000 0.000 0.292 151 I C -0.888 174.967 176.117 -0.437 0.000 1.144 151 I CA -0.377 60.694 61.300 -0.383 0.000 1.038 151 I CB 1.793 39.515 38.000 -0.463 0.000 1.244 151 I HN 0.484 nan 8.210 nan 0.000 0.420 152 R N 5.085 125.448 120.500 -0.229 0.000 2.239 152 R HA 0.304 4.644 4.340 -0.000 0.000 0.332 152 R C -0.604 175.666 176.300 -0.051 0.000 0.988 152 R CA -0.552 55.478 56.100 -0.117 0.000 0.859 152 R CB 1.129 31.396 30.300 -0.055 0.000 1.148 152 R HN 0.532 nan 8.270 nan 0.000 0.482 153 E N 3.464 123.691 120.200 0.045 0.000 2.044 153 E HA 0.040 4.390 4.350 -0.000 0.000 0.282 153 E C -0.091 176.610 176.600 0.168 0.000 1.031 153 E CA -0.349 56.165 56.400 0.189 0.000 0.824 153 E CB 0.808 30.816 29.700 0.513 0.000 1.076 153 E HN 0.515 nan 8.360 nan 0.000 0.395 154 T N 1.291 115.910 114.554 0.108 0.000 2.791 154 T HA 0.068 4.418 4.350 -0.000 0.000 0.323 154 T C 1.428 176.200 174.700 0.120 0.000 1.082 154 T CA -0.126 62.024 62.100 0.082 0.000 1.084 154 T CB 1.252 70.150 68.868 0.050 0.000 0.992 154 T HN 0.499 nan 8.240 nan 0.000 0.547 155 G N 0.961 109.805 108.800 0.073 0.000 2.476 155 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.218 155 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.218 155 G C 1.198 176.180 174.900 0.137 0.000 1.164 155 G CA 0.971 46.129 45.100 0.098 0.000 0.768 155 G HN 0.822 nan 8.290 nan 0.000 0.560 156 D N 1.059 121.512 120.400 0.089 0.000 2.104 156 D HA -0.095 4.545 4.640 -0.000 0.000 0.194 156 D C 2.132 178.488 176.300 0.093 0.000 0.994 156 D CA 1.190 55.237 54.000 0.078 0.000 0.830 156 D CB -0.359 40.469 40.800 0.047 0.000 0.959 156 D HN 0.204 nan 8.370 nan 0.000 0.452 157 D N -0.433 120.034 120.400 0.112 0.000 2.123 157 D HA -0.191 4.449 4.640 -0.000 0.000 0.196 157 D C 1.956 178.352 176.300 0.160 0.000 0.992 157 D CA 0.743 54.815 54.000 0.121 0.000 0.833 157 D CB -0.466 40.416 40.800 0.136 0.000 0.954 157 D HN 0.333 nan 8.370 nan 0.000 0.455 158 Y N 1.769 122.136 120.300 0.112 0.000 2.163 158 Y HA -0.110 4.440 4.550 -0.000 0.000 0.288 158 Y C 2.348 178.303 175.900 0.091 0.000 1.136 158 Y CA 1.481 59.660 58.100 0.132 0.000 1.147 158 Y CB -0.099 38.452 38.460 0.151 0.000 0.987 158 Y HN -0.196 nan 8.280 nan 0.000 0.509 159 R N -0.021 120.481 120.500 0.003 0.000 2.073 159 R HA -0.161 4.179 4.340 -0.000 0.000 0.234 159 R C 1.749 177.986 176.300 -0.105 0.000 1.134 159 R CA 1.629 57.679 56.100 -0.084 0.000 0.952 159 R CB -0.357 29.972 30.300 0.048 0.000 0.850 159 R HN 0.393 nan 8.270 nan 0.000 0.433 160 N N -0.287 118.390 118.700 -0.039 0.000 2.376 160 N HA 0.008 4.748 4.740 -0.000 0.000 0.177 160 N C 1.469 176.961 175.510 -0.031 0.000 1.024 160 N CA 1.042 54.076 53.050 -0.026 0.000 0.893 160 N CB 0.310 38.798 38.487 0.002 0.000 0.980 160 N HN 0.206 nan 8.380 nan 0.000 0.439 161 I N -0.883 119.668 120.570 -0.032 0.000 3.650 161 I HA 0.019 4.189 4.170 -0.000 0.000 0.261 161 I C 1.736 177.846 176.117 -0.012 0.000 1.154 161 I CA 0.473 61.769 61.300 -0.007 0.000 1.418 161 I CB -0.189 37.823 38.000 0.019 0.000 1.539 161 I HN -0.152 nan 8.210 nan 0.000 0.449 162 T N 1.874 116.413 114.554 -0.024 0.000 2.701 162 T HA -0.141 4.209 4.350 -0.000 0.000 0.263 162 T C 1.838 176.457 174.700 -0.135 0.000 1.040 162 T CA 1.661 63.759 62.100 -0.003 0.000 1.147 162 T CB -0.322 68.649 68.868 0.171 0.000 0.865 162 T HN 0.130 nan 8.240 nan 0.000 0.426 163 L N 2.533 123.480 121.223 -0.460 0.000 2.017 163 L HA 0.031 4.370 4.340 -0.000 0.000 0.208 163 L C -1.035 175.716 176.870 -0.198 0.000 1.073 163 L CA 1.950 56.525 54.840 -0.442 0.000 0.745 163 L CB -1.491 40.167 42.059 -0.668 0.000 0.894 163 L HN 0.104 nan 8.230 nan 0.000 0.432 164 P HA -0.215 nan 4.420 nan 0.000 0.216 164 P C 1.510 178.780 177.300 -0.051 0.000 1.150 164 P CA 1.693 64.747 63.100 -0.076 0.000 0.837 164 P CB -0.398 31.275 31.700 -0.045 0.000 0.786 165 H N -0.530 118.479 119.070 -0.101 0.000 2.423 165 H HA -0.060 4.496 4.556 -0.000 0.000 0.297 165 H C 1.733 176.999 175.328 -0.104 0.000 1.075 165 H CA 0.942 56.943 56.048 -0.078 0.000 1.342 165 H CB -0.354 29.376 29.762 -0.053 0.000 1.395 165 H HN -0.027 nan 8.280 nan 0.000 0.530 166 L N 1.565 122.710 121.223 -0.129 0.000 2.109 166 L HA -0.078 4.262 4.340 -0.000 0.000 0.207 166 L C 2.215 178.952 176.870 -0.221 0.000 1.086 166 L CA 1.407 56.104 54.840 -0.238 0.000 0.760 166 L CB -0.469 41.400 42.059 -0.316 0.000 0.910 166 L HN 0.162 nan 8.230 nan 0.000 0.437 167 E N -0.605 119.497 120.200 -0.163 0.000 2.209 167 E HA -0.181 4.169 4.350 -0.000 0.000 0.196 167 E C 1.969 178.501 176.600 -0.112 0.000 0.993 167 E CA 1.381 57.713 56.400 -0.112 0.000 0.819 167 E CB -0.302 29.348 29.700 -0.083 0.000 0.745 167 E HN 0.673 nan 8.360 nan 0.000 0.477 168 S N -0.553 115.051 115.700 -0.160 0.000 2.556 168 S HA 0.099 4.569 4.470 -0.000 0.000 0.216 168 S C 0.341 174.839 174.600 -0.171 0.000 0.970 168 S CA -0.249 57.862 58.200 -0.149 0.000 0.912 168 S CB 0.511 63.621 63.200 -0.149 0.000 0.790 168 S HN -0.028 nan 8.310 nan 0.000 0.504 169 Q N 0.462 120.144 119.800 -0.197 0.000 3.195 169 Q HA 0.237 4.577 4.340 -0.000 0.000 0.175 169 Q C -1.655 174.270 176.000 -0.126 0.000 1.010 169 Q CA 0.036 55.757 55.803 -0.136 0.000 1.149 169 Q CB 0.845 29.524 28.738 -0.099 0.000 2.015 169 Q HN 0.526 nan 8.270 nan 0.000 0.571 170 S N 0.690 116.361 115.700 -0.049 0.000 2.651 170 S HA 0.810 5.280 4.470 -0.000 0.000 0.279 170 S C -0.869 173.766 174.600 0.059 0.000 1.148 170 S CA -0.928 57.277 58.200 0.009 0.000 0.837 170 S CB 1.357 64.568 63.200 0.018 0.000 1.138 170 S HN 0.347 nan 8.310 nan 0.000 0.478 171 L N 2.911 124.183 121.223 0.081 0.000 2.453 171 L HA 0.326 4.665 4.340 -0.000 0.000 0.272 171 L C 1.027 178.029 176.870 0.220 0.000 1.182 171 L CA 0.594 55.495 54.840 0.102 0.000 0.858 171 L CB 0.556 42.579 42.059 -0.060 0.000 1.120 171 L HN 0.974 nan 8.230 nan 0.000 0.474 172 S N 4.623 120.463 115.700 0.234 0.000 2.533 172 S HA 0.172 4.642 4.470 -0.000 0.000 0.282 172 S C 0.722 175.491 174.600 0.282 0.000 1.304 172 S CA -0.435 57.893 58.200 0.213 0.000 1.063 172 S CB -0.028 63.271 63.200 0.166 0.000 0.881 172 S HN 0.530 nan 8.310 nan 0.000 0.493 173 I N 0.469 121.071 120.570 0.052 0.000 3.874 173 I HA 0.328 4.498 4.170 -0.000 0.000 0.331 173 I C 1.564 177.326 176.117 -0.592 0.000 1.489 173 I CA -0.437 60.676 61.300 -0.312 0.000 1.187 173 I CB -0.046 37.686 38.000 -0.446 0.000 1.150 173 I HN 0.591 nan 8.210 nan 0.000 0.412 174 Q N 2.529 122.225 119.800 -0.173 0.000 2.124 174 Q HA -0.176 4.164 4.340 -0.000 0.000 0.202 174 Q C 1.954 177.894 176.000 -0.100 0.000 0.977 174 Q CA 2.602 58.373 55.803 -0.054 0.000 0.850 174 Q CB -0.374 28.415 28.738 0.086 0.000 0.901 174 Q HN 0.843 nan 8.270 nan 0.000 0.429 175 W N -0.675 120.545 121.300 -0.134 0.000 2.342 175 W HA -0.120 4.540 4.660 -0.000 0.000 0.297 175 W C 1.329 177.736 176.519 -0.187 0.000 1.213 175 W CA 1.120 58.375 57.345 -0.150 0.000 1.251 175 W CB -1.062 28.280 29.460 -0.196 0.000 1.136 175 W HN 0.000 nan 8.180 nan 0.000 0.526 176 V N 1.537 120.652 119.914 -1.331 0.000 2.244 176 V HA -0.332 3.788 4.120 -0.000 0.000 0.244 176 V C 2.457 178.188 176.094 -0.605 0.000 1.042 176 V CA 2.240 63.769 62.300 -1.285 0.000 1.006 176 V CB -1.493 29.391 31.823 -1.565 0.000 0.641 176 V HN 0.124 nan 8.190 nan 0.000 0.446 177 Y N 0.717 120.742 120.300 -0.459 0.000 2.102 177 Y HA -0.308 4.241 4.550 -0.000 0.000 0.280 177 Y C 2.729 178.534 175.900 -0.158 0.000 1.178 177 Y CA 1.488 59.433 58.100 -0.259 0.000 1.146 177 Y CB -0.468 37.885 38.460 -0.178 0.000 0.968 177 Y HN 0.314 nan 8.280 nan 0.000 0.504 178 N N 0.353 119.069 118.700 0.027 0.000 2.205 178 N HA -0.159 4.581 4.740 -0.000 0.000 0.186 178 N C 1.634 177.153 175.510 0.015 0.000 1.015 178 N CA 1.291 54.360 53.050 0.032 0.000 0.862 178 N CB -0.349 38.167 38.487 0.048 0.000 0.986 178 N HN 0.414 nan 8.380 nan 0.000 0.429 179 I N 0.319 120.876 120.570 -0.021 0.000 2.277 179 I HA -0.136 4.033 4.170 -0.000 0.000 0.243 179 I C 1.913 178.017 176.117 -0.022 0.000 1.094 179 I CA 0.521 61.812 61.300 -0.014 0.000 1.393 179 I CB -0.100 37.889 38.000 -0.017 0.000 1.078 179 I HN 0.046 nan 8.210 nan 0.000 0.417 180 L N 0.896 122.091 121.223 -0.047 0.000 2.187 180 L HA -0.207 4.133 4.340 -0.000 0.000 0.213 180 L C 0.910 177.864 176.870 0.141 0.000 1.100 180 L CA 1.493 56.332 54.840 -0.002 0.000 0.765 180 L CB -0.657 41.405 42.059 0.005 0.000 0.904 180 L HN 0.494 nan 8.230 nan 0.000 0.437 181 D N -2.568 117.874 120.400 0.071 0.000 2.696 181 D HA 0.049 4.689 4.640 -0.000 0.000 0.269 181 D C 0.384 176.699 176.300 0.025 0.000 1.319 181 D CA -0.374 53.657 54.000 0.051 0.000 0.826 181 D CB 0.272 41.089 40.800 0.028 0.000 1.086 181 D HN -0.095 nan 8.370 nan 0.000 0.481 182 K N -0.001 120.413 120.400 0.024 0.000 3.274 182 K HA -0.262 4.057 4.320 -0.000 0.000 0.300 182 K C 0.760 177.367 176.600 0.011 0.000 1.230 182 K CA 0.693 56.987 56.287 0.013 0.000 0.884 182 K CB -2.010 30.492 32.500 0.004 0.000 1.242 182 K HN 0.420 nan 8.250 nan 0.000 0.467 183 K N 0.236 120.646 120.400 0.016 0.000 2.217 183 K HA 0.051 4.371 4.320 -0.000 0.000 0.202 183 K C 1.026 177.638 176.600 0.021 0.000 1.051 183 K CA 1.270 57.567 56.287 0.016 0.000 0.952 183 K CB 0.188 32.700 32.500 0.020 0.000 0.736 183 K HN 0.389 nan 8.250 nan 0.000 0.453 184 A N 0.683 123.519 122.820 0.027 0.000 2.435 184 A HA 0.374 4.694 4.320 -0.000 0.000 0.304 184 A C -0.632 176.972 177.584 0.033 0.000 1.064 184 A CA -0.497 51.559 52.037 0.033 0.000 0.727 184 A CB 1.098 20.129 19.000 0.051 0.000 1.284 184 A HN 0.312 nan 8.150 nan 0.000 0.415 185 E N -0.354 119.862 120.200 0.028 0.000 2.971 185 E HA -0.309 4.040 4.350 -0.000 0.000 0.278 185 E C 1.156 177.769 176.600 0.022 0.000 1.009 185 E CA 0.685 57.102 56.400 0.028 0.000 0.862 185 E CB -1.775 27.954 29.700 0.048 0.000 1.436 185 E HN 1.086 nan 8.360 nan 0.000 0.434 186 A N 1.517 124.345 122.820 0.013 0.000 1.972 186 A HA -0.210 4.109 4.320 -0.000 0.000 0.219 186 A C 1.778 179.362 177.584 0.001 0.000 1.169 186 A CA 1.708 53.747 52.037 0.004 0.000 0.635 186 A CB -0.223 18.775 19.000 -0.002 0.000 0.810 186 A HN 0.457 nan 8.150 nan 0.000 0.446 187 D N -0.940 119.461 120.400 0.002 0.000 2.352 187 D HA -0.068 4.572 4.640 -0.000 0.000 0.232 187 D C 1.285 177.587 176.300 0.004 0.000 1.055 187 D CA 0.410 54.409 54.000 -0.001 0.000 0.891 187 D CB -0.275 40.522 40.800 -0.004 0.000 0.897 187 D HN 0.525 nan 8.370 nan 0.000 0.529 188 R N -0.393 120.116 120.500 0.015 0.000 2.509 188 R HA 0.340 4.680 4.340 -0.000 0.000 0.297 188 R C 0.559 176.888 176.300 0.048 0.000 0.951 188 R CA -0.455 55.662 56.100 0.029 0.000 1.103 188 R CB 0.902 31.223 30.300 0.035 0.000 1.283 188 R HN 0.109 nan 8.270 nan 0.000 0.534 189 I N 1.183 121.772 120.570 0.032 0.000 2.775 189 I HA -0.159 4.011 4.170 -0.000 0.000 0.290 189 I C 1.383 177.532 176.117 0.054 0.000 1.203 189 I CA 0.238 61.559 61.300 0.035 0.000 1.433 189 I CB 1.143 39.140 38.000 -0.006 0.000 1.354 189 I HN -0.084 nan 8.210 nan 0.000 0.579 190 V N 6.795 126.767 119.914 0.097 0.000 2.672 190 V HA 0.127 4.247 4.120 -0.000 0.000 0.242 190 V C 0.062 176.260 176.094 0.174 0.000 1.059 190 V CA 0.679 63.053 62.300 0.123 0.000 1.081 190 V CB 0.093 32.028 31.823 0.187 0.000 0.752 190 V HN 0.645 nan 8.190 nan 0.000 0.472 191 F N -0.044 119.896 119.950 -0.017 0.000 2.665 191 F HA 0.613 5.140 4.527 -0.000 0.000 0.308 191 F C -1.147 174.570 175.800 -0.140 0.000 1.112 191 F CA -0.796 57.164 58.000 -0.067 0.000 0.972 191 F CB 1.672 40.644 39.000 -0.047 0.000 1.295 191 F HN -0.022 nan 8.300 nan 0.000 0.440 192 E N 3.830 123.296 120.200 -1.224 0.000 2.275 192 E HA 0.265 4.615 4.350 -0.000 0.000 0.270 192 E C -1.978 173.743 176.600 -1.465 0.000 0.882 192 E CA -0.844 54.923 56.400 -1.055 0.000 0.758 192 E CB 1.444 30.855 29.700 -0.481 0.000 1.195 192 E HN 0.573 nan 8.360 nan 0.000 0.419 193 N N 5.541 123.591 118.700 -1.083 0.000 2.485 193 N HA 0.266 5.006 4.740 -0.000 0.000 0.243 193 N C -2.177 173.198 175.510 -0.225 0.000 0.987 193 N CA -2.299 50.433 53.050 -0.530 0.000 0.940 193 N CB 1.555 39.871 38.487 -0.286 0.000 1.122 193 N HN 0.329 nan 8.380 nan 0.000 0.509 194 P HA -0.066 nan 4.420 nan 0.000 0.228 194 P C -0.183 177.014 177.300 -0.173 0.000 1.151 194 P CA 0.580 63.573 63.100 -0.179 0.000 0.770 194 P CB 0.078 31.668 31.700 -0.184 0.000 0.786 195 D N 0.547 120.913 120.400 -0.058 0.000 2.531 195 D HA -0.068 4.572 4.640 -0.000 0.000 0.239 195 D C -1.504 174.796 176.300 0.001 0.000 1.144 195 D CA -0.899 53.090 54.000 -0.019 0.000 0.869 195 D CB 0.982 41.806 40.800 0.041 0.000 1.160 195 D HN 0.096 nan 8.370 nan 0.000 0.484 196 P HA 0.008 nan 4.420 nan 0.000 0.236 196 P C 0.981 178.336 177.300 0.091 0.000 1.177 196 P CA 0.194 63.290 63.100 -0.008 0.000 0.773 196 P CB 0.468 32.137 31.700 -0.051 0.000 0.878 197 S N -0.925 114.826 115.700 0.086 0.000 2.460 197 S HA 0.031 4.501 4.470 -0.000 0.000 0.226 197 S C 1.029 175.716 174.600 0.144 0.000 1.057 197 S CA 0.728 58.991 58.200 0.104 0.000 0.948 197 S CB -0.306 62.937 63.200 0.071 0.000 0.822 197 S HN -0.077 nan 8.310 nan 0.000 0.512 198 D N 0.373 120.863 120.400 0.151 0.000 2.527 198 D HA 0.338 4.978 4.640 -0.000 0.000 0.224 198 D C 0.392 176.847 176.300 0.258 0.000 1.217 198 D CA 0.098 54.206 54.000 0.180 0.000 0.819 198 D CB 0.861 41.746 40.800 0.142 0.000 1.061 198 D HN 0.391 nan 8.370 nan 0.000 0.515 199 G N 0.262 109.225 108.800 0.272 0.000 2.820 199 G HA2 0.689 4.649 3.960 -0.000 0.000 0.291 199 G HA3 0.689 4.649 3.960 -0.000 0.000 0.291 199 G C -0.864 174.285 174.900 0.416 0.000 1.323 199 G CA -0.772 44.513 45.100 0.308 0.000 1.055 199 G HN 0.065 nan 8.290 nan 0.000 0.520 200 F N -2.887 117.164 119.950 0.168 0.000 2.799 200 F HA 0.605 5.132 4.527 -0.000 0.000 0.316 200 F C -1.599 174.172 175.800 -0.048 0.000 1.155 200 F CA -1.428 56.580 58.000 0.012 0.000 0.916 200 F CB 1.001 40.050 39.000 0.083 0.000 1.294 200 F HN 0.478 nan 8.300 nan 0.000 0.447 201 V N 2.609 122.545 119.914 0.037 0.000 2.513 201 V HA 0.665 4.785 4.120 -0.000 0.000 0.299 201 V C -0.991 175.255 176.094 0.253 0.000 1.035 201 V CA -0.674 61.619 62.300 -0.012 0.000 0.889 201 V CB 1.543 33.304 31.823 -0.103 0.000 0.988 201 V HN 0.850 nan 8.190 nan 0.000 0.440 202 L N 7.230 128.595 121.223 0.238 0.000 2.313 202 L HA 0.785 5.125 4.340 -0.000 0.000 0.283 202 L C -0.688 176.276 176.870 0.157 0.000 1.013 202 L CA -0.051 54.936 54.840 0.246 0.000 0.816 202 L CB 1.255 43.502 42.059 0.313 0.000 1.236 202 L HN 0.678 nan 8.230 nan 0.000 0.419 203 I N 2.636 123.292 120.570 0.142 0.000 3.006 203 I HA 0.679 4.848 4.170 -0.000 0.000 0.306 203 I C -2.948 173.279 176.117 0.183 0.000 1.250 203 I CA -2.517 58.871 61.300 0.147 0.000 0.996 203 I CB 1.582 39.651 38.000 0.115 0.000 1.261 203 I HN 0.347 nan 8.210 nan 0.000 0.442 204 P HA 0.168 nan 4.420 nan 0.000 0.269 204 P C -0.930 176.481 177.300 0.185 0.000 1.209 204 P CA 0.315 63.597 63.100 0.304 0.000 0.776 204 P CB 0.360 32.234 31.700 0.290 0.000 0.876 205 D N 1.576 122.085 120.400 0.182 0.000 2.302 205 D HA 0.043 4.683 4.640 -0.000 0.000 0.248 205 D C 1.309 177.609 176.300 -0.001 0.000 1.094 205 D CA -0.355 53.635 54.000 -0.017 0.000 0.897 205 D CB 0.377 40.997 40.800 -0.300 0.000 1.200 205 D HN 0.205 nan 8.370 nan 0.000 0.429 206 L N 2.762 123.936 121.223 -0.082 0.000 2.064 206 L HA -0.268 4.072 4.340 -0.000 0.000 0.216 206 L C 2.378 179.232 176.870 -0.026 0.000 1.077 206 L CA 1.541 56.338 54.840 -0.072 0.000 0.766 206 L CB -0.913 41.062 42.059 -0.140 0.000 0.890 206 L HN 0.680 nan 8.230 nan 0.000 0.435 207 K N -0.998 119.380 120.400 -0.038 0.000 2.504 207 K HA -0.159 4.161 4.320 -0.000 0.000 0.195 207 K C 0.409 177.105 176.600 0.160 0.000 1.036 207 K CA 0.243 56.552 56.287 0.037 0.000 0.984 207 K CB -0.166 32.350 32.500 0.027 0.000 0.788 207 K HN 0.191 nan 8.250 nan 0.000 0.488 208 W N 5.051 126.336 121.300 -0.024 0.000 2.332 208 W HA 0.176 4.836 4.660 -0.000 0.000 0.306 208 W C 0.462 176.974 176.519 -0.010 0.000 1.149 208 W CA -1.604 55.742 57.345 0.002 0.000 1.271 208 W CB 0.667 30.154 29.460 0.045 0.000 1.243 208 W HN 0.171 nan 8.180 nan 0.000 0.459 209 N N 3.305 121.930 118.700 -0.125 0.000 2.521 209 N HA -0.143 4.597 4.740 -0.000 0.000 0.188 209 N C 0.542 175.740 175.510 -0.520 0.000 1.146 209 N CA 0.958 53.862 53.050 -0.244 0.000 0.893 209 N CB -0.182 38.241 38.487 -0.107 0.000 0.975 209 N HN 0.786 nan 8.380 nan 0.000 0.451 210 Q N -1.704 117.361 119.800 -1.226 0.000 2.305 210 Q HA -0.269 4.071 4.340 -0.000 0.000 0.203 210 Q C 0.399 175.995 176.000 -0.674 0.000 0.663 210 Q CA 1.538 56.455 55.803 -1.477 0.000 1.389 210 Q CB -1.418 26.771 28.738 -0.914 0.000 1.566 210 Q HN 0.660 nan 8.270 nan 0.000 0.755 211 Q N 0.375 119.950 119.800 -0.374 0.000 2.435 211 Q HA -0.052 4.288 4.340 -0.000 0.000 0.207 211 Q C 0.795 176.780 176.000 -0.025 0.000 0.956 211 Q CA 0.871 56.588 55.803 -0.144 0.000 0.917 211 Q CB 0.236 28.921 28.738 -0.090 0.000 0.997 211 Q HN 0.477 nan 8.270 nan 0.000 0.497 212 Q N -0.656 119.185 119.800 0.068 0.000 2.482 212 Q HA 0.241 4.580 4.340 -0.000 0.000 0.286 212 Q C 0.090 176.280 176.000 0.317 0.000 1.007 212 Q CA -0.538 55.358 55.803 0.154 0.000 0.801 212 Q CB 0.753 29.554 28.738 0.106 0.000 1.455 212 Q HN 0.076 nan 8.270 nan 0.000 0.398 213 L N 0.504 121.855 121.223 0.214 0.000 2.478 213 L HA -0.036 4.304 4.340 -0.000 0.000 0.223 213 L C 0.713 177.595 176.870 0.019 0.000 1.140 213 L CA 0.744 55.671 54.840 0.146 0.000 0.842 213 L CB -0.179 41.938 42.059 0.095 0.000 0.953 213 L HN 0.612 nan 8.230 nan 0.000 0.452 214 D N 0.841 121.262 120.400 0.035 0.000 2.123 214 D HA -0.197 4.443 4.640 -0.000 0.000 0.196 214 D C 1.024 177.230 176.300 -0.156 0.000 0.992 214 D CA 1.498 55.488 54.000 -0.018 0.000 0.833 214 D CB -0.140 40.664 40.800 0.006 0.000 0.954 214 D HN 0.450 nan 8.370 nan 0.000 0.455 215 D N 0.196 120.415 120.400 -0.300 0.000 2.738 215 D HA 0.023 4.663 4.640 -0.000 0.000 0.246 215 D C 0.253 175.982 176.300 -0.952 0.000 1.270 215 D CA -0.513 52.975 54.000 -0.854 0.000 0.833 215 D CB -0.892 39.295 40.800 -1.021 0.000 1.040 215 D HN 0.175 nan 8.370 nan 0.000 0.487 216 L N 1.169 121.867 121.223 -0.875 0.000 2.628 216 L HA 0.073 4.413 4.340 -0.000 0.000 0.274 216 L C -1.248 175.011 176.870 -1.018 0.000 1.209 216 L CA 0.307 54.195 54.840 -1.586 0.000 0.930 216 L CB 0.089 41.568 42.059 -0.967 0.000 1.183 216 L HN 0.094 nan 8.230 nan 0.000 0.492 217 Y N 6.165 125.715 120.300 -1.251 0.000 2.322 217 Y HA 0.561 5.111 4.550 -0.000 0.000 0.324 217 Y C -1.200 174.631 175.900 -0.115 0.000 1.027 217 Y CA -1.114 56.790 58.100 -0.325 0.000 1.179 217 Y CB 1.095 39.551 38.460 -0.007 0.000 1.136 217 Y HN 0.466 nan 8.280 nan 0.000 0.449 218 L N 6.089 127.484 121.223 0.288 0.000 2.319 218 L HA 0.697 5.037 4.340 -0.000 0.000 0.267 218 L C -0.978 176.069 176.870 0.296 0.000 1.011 218 L CA -1.210 53.793 54.840 0.272 0.000 0.818 218 L CB 2.587 44.718 42.059 0.119 0.000 1.316 218 L HN 0.428 nan 8.230 nan 0.000 0.432 219 I N 0.967 121.638 120.570 0.168 0.000 2.498 219 I HA 0.574 4.743 4.170 -0.000 0.000 0.290 219 I C -0.271 175.915 176.117 0.114 0.000 1.032 219 I CA -0.282 61.062 61.300 0.074 0.000 1.073 219 I CB 2.135 40.090 38.000 -0.075 0.000 1.251 219 I HN 0.617 nan 8.210 nan 0.000 0.426 220 A N 7.348 130.260 122.820 0.153 0.000 2.276 220 A HA 0.839 5.159 4.320 -0.000 0.000 0.316 220 A C -0.683 176.970 177.584 0.116 0.000 1.229 220 A CA -0.347 51.787 52.037 0.161 0.000 0.851 220 A CB 0.392 19.448 19.000 0.094 0.000 1.165 220 A HN 0.649 nan 8.150 nan 0.000 0.513 221 I N 3.069 123.728 120.570 0.148 0.000 2.389 221 I HA 0.240 4.410 4.170 -0.000 0.000 0.288 221 I C 0.427 176.634 176.117 0.151 0.000 0.999 221 I CA -0.523 60.848 61.300 0.117 0.000 1.129 221 I CB 1.499 39.513 38.000 0.023 0.000 1.288 221 I HN 0.883 nan 8.210 nan 0.000 0.444 222 C N 4.484 123.880 119.300 0.160 0.000 2.657 222 C HA 0.227 4.686 4.460 -0.000 0.000 0.404 222 C C 1.750 176.869 174.990 0.214 0.000 1.291 222 C CA -0.296 58.827 59.018 0.174 0.000 2.218 222 C CB 0.464 28.240 27.740 0.059 0.000 2.687 222 C HN 0.779 nan 8.230 nan 0.000 0.634 223 H N 0.338 119.541 119.070 0.222 0.000 2.403 223 H HA 0.094 4.650 4.556 -0.000 0.000 0.298 223 H C 1.253 176.696 175.328 0.192 0.000 1.059 223 H CA 1.267 57.419 56.048 0.173 0.000 1.363 223 H CB -0.057 29.761 29.762 0.093 0.000 1.410 223 H HN 0.683 nan 8.280 nan 0.000 0.528 224 R N 1.925 122.590 120.500 0.274 0.000 2.502 224 R HA 0.008 4.348 4.340 -0.000 0.000 0.292 224 R C -0.169 176.272 176.300 0.236 0.000 0.998 224 R CA 0.045 56.269 56.100 0.206 0.000 1.056 224 R CB 0.400 30.796 30.300 0.159 0.000 0.939 224 R HN 0.143 nan 8.270 nan 0.000 0.411 225 R N 2.205 122.853 120.500 0.246 0.000 2.560 225 R HA 0.239 4.578 4.340 -0.000 0.000 0.270 225 R C 0.792 177.212 176.300 0.199 0.000 1.074 225 R CA 0.512 56.799 56.100 0.311 0.000 1.140 225 R CB 0.940 31.396 30.300 0.260 0.000 1.073 225 R HN 0.965 nan 8.270 nan 0.000 0.527 226 G N 1.173 110.110 108.800 0.228 0.000 2.148 226 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.254 226 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.254 226 G C 0.093 175.044 174.900 0.085 0.000 0.981 226 G CA -0.093 45.099 45.100 0.154 0.000 0.670 226 G HN 0.499 nan 8.290 nan 0.000 0.528 227 I N 0.573 121.138 120.570 -0.010 0.000 2.308 227 I HA 0.276 4.446 4.170 -0.000 0.000 0.293 227 I C 1.735 177.821 176.117 -0.053 0.000 1.078 227 I CA -0.606 60.640 61.300 -0.090 0.000 1.292 227 I CB 0.739 38.592 38.000 -0.244 0.000 1.423 227 I HN 0.044 nan 8.210 nan 0.000 0.493 228 R N 3.240 123.778 120.500 0.063 0.000 2.090 228 R HA 0.007 4.347 4.340 -0.000 0.000 0.228 228 R C 0.618 177.036 176.300 0.197 0.000 1.110 228 R CA 0.988 57.210 56.100 0.203 0.000 0.973 228 R CB 0.082 30.547 30.300 0.275 0.000 0.869 228 R HN 0.856 nan 8.270 nan 0.000 0.440 229 S N -2.353 113.392 115.700 0.075 0.000 2.660 229 S HA 0.017 4.487 4.470 -0.000 0.000 0.264 229 S C 0.264 174.795 174.600 -0.114 0.000 1.131 229 S CA -0.865 57.356 58.200 0.035 0.000 0.846 229 S CB 0.145 63.481 63.200 0.227 0.000 1.151 229 S HN -0.057 nan 8.310 nan 0.000 0.486 230 L N 1.296 122.403 121.223 -0.192 0.000 2.103 230 L HA -0.051 4.289 4.340 -0.000 0.000 0.215 230 L C 2.694 179.315 176.870 -0.415 0.000 1.080 230 L CA 1.895 56.468 54.840 -0.445 0.000 0.764 230 L CB -0.802 40.886 42.059 -0.619 0.000 0.890 230 L HN 0.674 nan 8.230 nan 0.000 0.435 231 R N -0.588 119.696 120.500 -0.360 0.000 2.189 231 R HA -0.080 4.259 4.340 -0.000 0.000 0.223 231 R C 1.394 177.605 176.300 -0.149 0.000 1.092 231 R CA 0.979 56.848 56.100 -0.385 0.000 0.989 231 R CB -0.664 29.120 30.300 -0.861 0.000 0.876 231 R HN 0.446 nan 8.270 nan 0.000 0.457 232 D N 0.302 120.648 120.400 -0.091 0.000 2.355 232 D HA 0.043 4.683 4.640 -0.000 0.000 0.218 232 D C 0.372 176.665 176.300 -0.013 0.000 1.004 232 D CA 0.227 54.221 54.000 -0.009 0.000 0.880 232 D CB 0.181 40.976 40.800 -0.009 0.000 0.911 232 D HN 0.091 nan 8.370 nan 0.000 0.528 233 L N 1.094 122.264 121.223 -0.089 0.000 2.367 233 L HA 0.204 4.543 4.340 -0.000 0.000 0.275 233 L C 0.989 177.987 176.870 0.213 0.000 1.129 233 L CA 0.035 54.867 54.840 -0.013 0.000 0.839 233 L CB 0.840 42.770 42.059 -0.214 0.000 1.133 233 L HN -0.047 nan 8.230 nan 0.000 0.453 234 T N -0.548 114.245 114.554 0.398 0.000 2.864 234 T HA 0.438 4.788 4.350 -0.000 0.000 0.289 234 T C -2.332 172.449 174.700 0.134 0.000 1.082 234 T CA -1.863 60.359 62.100 0.204 0.000 1.009 234 T CB 2.036 70.967 68.868 0.105 0.000 1.234 234 T HN 0.172 nan 8.240 nan 0.000 0.526 235 P HA -0.047 nan 4.420 nan 0.000 0.221 235 P C 1.197 178.492 177.300 -0.008 0.000 1.145 235 P CA 1.047 64.173 63.100 0.043 0.000 0.795 235 P CB -0.002 31.718 31.700 0.035 0.000 0.775 236 E N -0.592 119.551 120.200 -0.095 0.000 2.333 236 E HA -0.222 4.128 4.350 -0.000 0.000 0.198 236 E C 1.024 177.482 176.600 -0.236 0.000 1.007 236 E CA 1.118 57.407 56.400 -0.184 0.000 0.845 236 E CB -0.537 29.006 29.700 -0.261 0.000 0.766 236 E HN 0.401 nan 8.360 nan 0.000 0.507 237 H N -0.487 118.596 119.070 0.021 0.000 2.553 237 H HA 0.177 4.732 4.556 -0.000 0.000 0.265 237 H C 1.667 177.003 175.328 0.012 0.000 0.964 237 H CA 0.250 56.305 56.048 0.012 0.000 1.156 237 H CB 0.313 30.068 29.762 -0.010 0.000 1.411 237 H HN 0.121 nan 8.280 nan 0.000 0.558 238 L N 0.908 122.188 121.223 0.096 0.000 2.013 238 L HA -0.152 4.188 4.340 -0.000 0.000 0.212 238 L C -0.520 176.394 176.870 0.073 0.000 1.073 238 L CA 1.337 56.220 54.840 0.071 0.000 0.753 238 L CB -1.083 41.009 42.059 0.054 0.000 0.890 238 L HN 0.291 nan 8.230 nan 0.000 0.432 239 P HA -0.207 nan 4.420 nan 0.000 0.215 239 P C 1.693 179.061 177.300 0.112 0.000 1.153 239 P CA 1.191 64.345 63.100 0.090 0.000 0.853 239 P CB 0.006 31.754 31.700 0.079 0.000 0.788 240 L N -1.213 120.082 121.223 0.120 0.000 2.056 240 L HA -0.090 4.249 4.340 -0.000 0.000 0.207 240 L C 2.167 179.079 176.870 0.070 0.000 1.078 240 L CA 1.707 56.629 54.840 0.136 0.000 0.749 240 L CB -1.417 40.734 42.059 0.153 0.000 0.901 240 L HN -0.148 nan 8.230 nan 0.000 0.433 241 L N -0.594 120.648 121.223 0.032 0.000 1.994 241 L HA -0.197 4.142 4.340 -0.000 0.000 0.208 241 L C 2.805 179.628 176.870 -0.079 0.000 1.071 241 L CA 1.579 56.391 54.840 -0.048 0.000 0.745 241 L CB -0.547 41.486 42.059 -0.043 0.000 0.892 241 L HN 0.208 nan 8.230 nan 0.000 0.431 242 R N -0.186 120.298 120.500 -0.026 0.000 2.117 242 R HA -0.178 4.161 4.340 -0.000 0.000 0.243 242 R C 2.127 178.442 176.300 0.025 0.000 1.143 242 R CA 1.602 57.688 56.100 -0.024 0.000 0.968 242 R CB -0.444 29.930 30.300 0.124 0.000 0.863 242 R HN 0.380 nan 8.270 nan 0.000 0.444 243 N N 0.606 119.371 118.700 0.107 0.000 2.106 243 N HA -0.092 4.648 4.740 -0.000 0.000 0.188 243 N C 1.772 177.361 175.510 0.130 0.000 1.029 243 N CA 1.171 54.358 53.050 0.229 0.000 0.848 243 N CB -0.156 38.544 38.487 0.356 0.000 1.007 243 N HN 0.161 nan 8.380 nan 0.000 0.423 244 I N 0.718 121.180 120.570 -0.179 0.000 2.163 244 I HA -0.252 3.918 4.170 -0.000 0.000 0.243 244 I C 2.353 178.361 176.117 -0.182 0.000 1.085 244 I CA 0.850 61.758 61.300 -0.654 0.000 1.347 244 I CB -0.201 37.494 38.000 -0.509 0.000 1.044 244 I HN 0.170 nan 8.210 nan 0.000 0.408 245 L N 0.127 121.254 121.223 -0.161 0.000 1.994 245 L HA -0.282 4.058 4.340 -0.000 0.000 0.208 245 L C 2.604 179.425 176.870 -0.082 0.000 1.071 245 L CA 2.142 56.870 54.840 -0.187 0.000 0.745 245 L CB -0.539 41.228 42.059 -0.486 0.000 0.892 245 L HN 0.363 nan 8.230 nan 0.000 0.431 246 H N -1.242 117.871 119.070 0.072 0.000 2.343 246 H HA -0.091 4.465 4.556 -0.000 0.000 0.303 246 H C 2.313 177.670 175.328 0.048 0.000 1.068 246 H CA 1.182 57.268 56.048 0.063 0.000 1.359 246 H CB 0.131 29.926 29.762 0.054 0.000 1.402 246 H HN 0.399 nan 8.280 nan 0.000 0.515 247 Q N 0.284 120.198 119.800 0.190 0.000 2.167 247 Q HA -0.061 4.279 4.340 -0.000 0.000 0.202 247 Q C 2.542 178.505 176.000 -0.062 0.000 0.970 247 Q CA 0.966 56.796 55.803 0.046 0.000 0.855 247 Q CB 0.007 28.864 28.738 0.199 0.000 0.911 247 Q HN 0.521 nan 8.270 nan 0.000 0.438 248 G N 1.175 110.018 108.800 0.072 0.000 2.402 248 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.216 248 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.216 248 G C 1.325 176.152 174.900 -0.120 0.000 1.162 248 G CA 0.425 45.438 45.100 -0.146 0.000 0.777 248 G HN 0.259 nan 8.290 nan 0.000 0.539 249 Q N -0.374 119.482 119.800 0.092 0.000 2.084 249 Q HA -0.098 4.242 4.340 -0.000 0.000 0.202 249 Q C 2.498 178.510 176.000 0.021 0.000 0.978 249 Q CA 1.210 57.081 55.803 0.113 0.000 0.844 249 Q CB -0.135 28.706 28.738 0.171 0.000 0.898 249 Q HN 0.330 nan 8.270 nan 0.000 0.426 250 E N 0.922 121.108 120.200 -0.024 0.000 2.049 250 E HA -0.210 4.140 4.350 -0.000 0.000 0.198 250 E C 1.809 178.331 176.600 -0.129 0.000 1.007 250 E CA 1.682 58.035 56.400 -0.080 0.000 0.809 250 E CB -0.391 29.234 29.700 -0.124 0.000 0.749 250 E HN 0.356 nan 8.360 nan 0.000 0.450 251 A N 0.158 122.833 122.820 -0.242 0.000 1.908 251 A HA -0.168 4.151 4.320 -0.000 0.000 0.218 251 A C 2.466 180.016 177.584 -0.057 0.000 1.181 251 A CA 1.666 53.578 52.037 -0.209 0.000 0.627 251 A CB -0.708 18.120 19.000 -0.286 0.000 0.818 251 A HN 0.336 nan 8.150 nan 0.000 0.445 252 I N -0.605 119.964 120.570 -0.002 0.000 2.315 252 I HA -0.197 3.972 4.170 -0.000 0.000 0.248 252 I C 2.452 178.653 176.117 0.139 0.000 1.117 252 I CA 0.779 62.177 61.300 0.163 0.000 1.404 252 I CB -0.170 37.913 38.000 0.138 0.000 1.071 252 I HN 0.387 nan 8.210 nan 0.000 0.419 253 L N 0.461 121.715 121.223 0.052 0.000 1.989 253 L HA -0.264 4.076 4.340 -0.000 0.000 0.211 253 L C 2.645 179.517 176.870 0.003 0.000 1.071 253 L CA 1.720 56.576 54.840 0.026 0.000 0.749 253 L CB -0.387 41.676 42.059 0.007 0.000 0.890 253 L HN 0.345 nan 8.230 nan 0.000 0.431 254 Q N -0.554 119.230 119.800 -0.027 0.000 2.224 254 Q HA -0.215 4.124 4.340 -0.000 0.000 0.203 254 Q C 2.127 178.077 176.000 -0.083 0.000 0.970 254 Q CA 1.128 56.905 55.803 -0.044 0.000 0.865 254 Q CB -0.369 28.343 28.738 -0.043 0.000 0.922 254 Q HN 0.381 nan 8.270 nan 0.000 0.445 255 R N -0.129 120.286 120.500 -0.141 0.000 2.080 255 R HA -0.040 4.300 4.340 -0.000 0.000 0.222 255 R C 0.907 176.953 176.300 -0.424 0.000 1.107 255 R CA 1.351 57.230 56.100 -0.368 0.000 0.980 255 R CB -0.116 29.821 30.300 -0.606 0.000 0.879 255 R HN 0.283 nan 8.270 nan 0.000 0.439 256 Y N -0.860 119.465 120.300 0.042 0.000 2.432 256 Y HA 0.383 4.932 4.550 -0.000 0.000 0.252 256 Y C 0.090 176.001 175.900 0.020 0.000 1.097 256 Y CA -0.571 57.563 58.100 0.057 0.000 1.250 256 Y CB 0.889 39.407 38.460 0.096 0.000 1.245 256 Y HN -0.174 nan 8.280 nan 0.000 0.522 257 R N -0.232 120.336 120.500 0.114 0.000 3.872 257 R HA -0.203 4.136 4.340 -0.000 0.000 0.341 257 R C -0.374 175.921 176.300 -0.008 0.000 1.172 257 R CA 0.652 56.776 56.100 0.040 0.000 0.901 257 R CB -2.474 27.845 30.300 0.032 0.000 1.422 257 R HN 0.473 nan 8.270 nan 0.000 0.523 258 M N 1.248 120.858 119.600 0.016 0.000 2.080 258 M HA 0.260 4.740 4.480 -0.000 0.000 0.350 258 M C 0.219 176.448 176.300 -0.118 0.000 1.173 258 M CA -0.175 55.055 55.300 -0.118 0.000 1.052 258 M CB 0.803 33.380 32.600 -0.038 0.000 1.577 258 M HN -0.055 nan 8.290 nan 0.000 0.455 259 K N 2.621 122.863 120.400 -0.264 0.000 2.230 259 K HA 0.168 4.488 4.320 -0.000 0.000 0.253 259 K C 1.104 177.742 176.600 0.063 0.000 1.008 259 K CA 0.307 56.553 56.287 -0.067 0.000 0.910 259 K CB 0.613 33.100 32.500 -0.020 0.000 0.994 259 K HN 0.985 nan 8.250 nan 0.000 0.495 260 G N 1.328 110.190 108.800 0.104 0.000 2.443 260 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.219 260 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.219 260 G C 0.860 175.847 174.900 0.145 0.000 1.131 260 G CA 0.787 45.964 45.100 0.128 0.000 0.775 260 G HN 0.796 nan 8.290 nan 0.000 0.547 261 D N -0.176 120.327 120.400 0.173 0.000 2.363 261 D HA -0.015 4.625 4.640 -0.000 0.000 0.226 261 D C 1.099 177.470 176.300 0.119 0.000 1.020 261 D CA 0.300 54.377 54.000 0.128 0.000 0.892 261 D CB -0.561 40.293 40.800 0.089 0.000 0.900 261 D HN 0.341 nan 8.370 nan 0.000 0.531 262 H N -0.526 118.561 119.070 0.027 0.000 2.539 262 H HA 0.415 4.971 4.556 -0.000 0.000 0.269 262 H C -0.008 175.329 175.328 0.016 0.000 0.980 262 H CA -0.109 55.951 56.048 0.021 0.000 1.152 262 H CB 0.229 30.006 29.762 0.025 0.000 1.407 262 H HN 0.109 nan 8.280 nan 0.000 0.564 263 L N 0.628 121.929 121.223 0.130 0.000 2.346 263 L HA 0.453 4.792 4.340 -0.000 0.000 0.276 263 L C 0.083 176.972 176.870 0.033 0.000 1.006 263 L CA -0.864 54.029 54.840 0.089 0.000 0.817 263 L CB 2.514 44.651 42.059 0.131 0.000 1.272 263 L HN 0.023 nan 8.230 nan 0.000 0.421 264 R N 2.572 123.083 120.500 0.018 0.000 2.295 264 R HA 0.647 4.987 4.340 -0.000 0.000 0.324 264 R C -1.687 174.638 176.300 0.042 0.000 0.968 264 R CA -0.431 55.679 56.100 0.017 0.000 0.837 264 R CB 1.439 31.739 30.300 -0.001 0.000 1.133 264 R HN 0.435 nan 8.270 nan 0.000 0.450 265 V N 6.590 126.478 119.914 -0.042 0.000 2.483 265 V HA 0.521 4.641 4.120 -0.000 0.000 0.297 265 V C -1.195 174.793 176.094 -0.177 0.000 1.027 265 V CA -0.682 61.406 62.300 -0.354 0.000 0.855 265 V CB 1.119 32.570 31.823 -0.619 0.000 0.995 265 V HN 0.852 nan 8.190 nan 0.000 0.424 266 Y N 3.159 123.229 120.300 -0.382 0.000 2.713 266 Y HA 0.842 5.392 4.550 -0.000 0.000 0.335 266 Y C -1.787 173.988 175.900 -0.208 0.000 1.222 266 Y CA -1.613 56.337 58.100 -0.249 0.000 1.061 266 Y CB 1.287 39.621 38.460 -0.210 0.000 1.314 266 Y HN 0.377 nan 8.280 nan 0.000 0.453 267 L N 1.780 123.018 121.223 0.026 0.000 2.330 267 L HA 0.520 4.860 4.340 -0.000 0.000 0.271 267 L C -0.493 176.452 176.870 0.125 0.000 1.013 267 L CA -0.715 54.109 54.840 -0.027 0.000 0.816 267 L CB 1.642 43.686 42.059 -0.025 0.000 1.287 267 L HN 0.746 nan 8.230 nan 0.000 0.435 268 H N 0.854 119.971 119.070 0.077 0.000 2.610 268 H HA 0.280 4.835 4.556 -0.000 0.000 0.336 268 H C -1.455 173.959 175.328 0.143 0.000 1.087 268 H CA -0.095 56.009 56.048 0.093 0.000 1.405 268 H CB 0.886 30.620 29.762 -0.047 0.000 1.460 268 H HN 0.440 nan 8.280 nan 0.000 0.538 269 Y N 3.349 123.760 120.300 0.185 0.000 2.331 269 Y HA 0.183 4.733 4.550 -0.000 0.000 0.326 269 Y C -1.591 174.288 175.900 -0.035 0.000 1.020 269 Y CA -1.130 56.957 58.100 -0.021 0.000 1.136 269 Y CB 0.595 38.981 38.460 -0.124 0.000 1.157 269 Y HN 0.449 nan 8.280 nan 0.000 0.444 270 L N 8.399 129.223 121.223 -0.665 0.000 2.439 270 L HA 0.353 4.692 4.340 -0.000 0.000 0.269 270 L C -1.986 174.636 176.870 -0.413 0.000 1.179 270 L CA -2.248 52.069 54.840 -0.872 0.000 0.828 270 L CB -0.106 41.500 42.059 -0.755 0.000 1.106 270 L HN 0.524 nan 8.230 nan 0.000 0.467 271 P HA 0.171 nan 4.420 nan 0.000 0.276 271 P C -0.060 176.990 177.300 -0.416 0.000 1.252 271 P CA -0.353 62.576 63.100 -0.285 0.000 0.802 271 P CB 0.829 32.352 31.700 -0.295 0.000 1.035 272 S N -0.513 115.054 115.700 -0.222 0.000 2.458 272 S HA 0.067 4.537 4.470 -0.000 0.000 0.223 272 S C 0.049 174.294 174.600 -0.593 0.000 1.019 272 S CA 0.780 58.754 58.200 -0.378 0.000 0.937 272 S CB -0.487 62.504 63.200 -0.348 0.000 0.788 272 S HN 0.452 nan 8.310 nan 0.000 0.511 273 Y N -0.147 120.131 120.300 -0.037 0.000 2.341 273 Y HA 0.371 4.921 4.550 -0.000 0.000 0.338 273 Y C -0.666 175.202 175.900 -0.054 0.000 0.965 273 Y CA -1.055 57.097 58.100 0.087 0.000 1.108 273 Y CB 0.759 39.404 38.460 0.308 0.000 1.180 273 Y HN 0.031 nan 8.280 nan 0.000 0.458 274 Y N 2.435 122.852 120.300 0.195 0.000 2.994 274 Y HA 0.149 4.699 4.550 -0.000 0.000 0.393 274 Y C -0.009 175.979 175.900 0.147 0.000 1.118 274 Y CA -0.146 58.034 58.100 0.134 0.000 1.906 274 Y CB -0.450 38.064 38.460 0.091 0.000 1.925 274 Y HN 0.546 nan 8.280 nan 0.000 0.446 275 H N -0.152 118.974 119.070 0.094 0.000 2.924 275 H HA 0.267 4.823 4.556 -0.000 0.000 0.333 275 H C -0.589 174.737 175.328 -0.003 0.000 0.979 275 H CA -0.863 55.191 56.048 0.009 0.000 1.326 275 H CB 0.761 30.444 29.762 -0.132 0.000 1.600 275 H HN 0.225 nan 8.280 nan 0.000 0.520 276 L N 4.794 125.861 121.223 -0.261 0.000 2.795 276 L HA -0.184 4.156 4.340 -0.000 0.000 0.290 276 L C -0.702 176.123 176.870 -0.076 0.000 1.206 276 L CA 1.433 56.159 54.840 -0.191 0.000 0.919 276 L CB -0.832 41.060 42.059 -0.279 0.000 1.227 276 L HN 0.986 nan 8.230 nan 0.000 0.483 277 N N 2.628 121.333 118.700 0.008 0.000 2.287 277 N HA 0.582 5.322 4.740 -0.000 0.000 0.289 277 N C -1.452 174.079 175.510 0.034 0.000 1.066 277 N CA -0.952 52.127 53.050 0.047 0.000 0.841 277 N CB 2.060 40.618 38.487 0.118 0.000 1.599 277 N HN 0.078 nan 8.380 nan 0.000 0.476 278 V N 1.391 121.296 119.914 -0.016 0.000 2.513 278 V HA 0.393 4.512 4.120 -0.000 0.000 0.299 278 V C -0.386 175.634 176.094 -0.123 0.000 1.035 278 V CA -0.631 61.616 62.300 -0.089 0.000 0.889 278 V CB 1.262 32.990 31.823 -0.158 0.000 0.988 278 V HN 0.757 nan 8.190 nan 0.000 0.440 279 H N 3.716 122.464 119.070 -0.537 0.000 2.457 279 H HA 0.489 5.044 4.556 -0.000 0.000 0.335 279 H C -1.507 173.403 175.328 -0.697 0.000 1.115 279 H CA -0.386 55.348 56.048 -0.523 0.000 1.219 279 H CB 1.876 31.110 29.762 -0.879 0.000 1.471 279 H HN 0.468 nan 8.280 nan 0.000 0.491 280 F N 1.789 121.575 119.950 -0.273 0.000 2.434 280 F HA 0.197 4.724 4.527 -0.000 0.000 0.355 280 F C 0.272 175.914 175.800 -0.262 0.000 1.115 280 F CA -0.581 57.299 58.000 -0.200 0.000 1.010 280 F CB 1.757 40.693 39.000 -0.107 0.000 1.234 280 F HN 0.398 nan 8.300 nan 0.000 0.439 281 T N -0.203 114.288 114.554 -0.105 0.000 2.907 281 T HA 0.809 5.158 4.350 -0.000 0.000 0.292 281 T C -0.198 174.479 174.700 -0.038 0.000 1.043 281 T CA -1.174 60.833 62.100 -0.155 0.000 1.003 281 T CB 1.825 70.570 68.868 -0.204 0.000 1.084 281 T HN 0.677 nan 8.240 nan 0.000 0.483 282 A N 2.359 125.156 122.820 -0.038 0.000 2.545 282 A HA 0.299 4.619 4.320 -0.000 0.000 0.253 282 A C 1.496 179.116 177.584 0.061 0.000 1.074 282 A CA -0.511 51.536 52.037 0.016 0.000 0.760 282 A CB -0.538 18.454 19.000 -0.013 0.000 1.005 282 A HN 1.044 nan 8.150 nan 0.000 0.506 283 L N 3.958 125.204 121.223 0.039 0.000 2.103 283 L HA -0.163 4.177 4.340 -0.000 0.000 0.215 283 L C 2.213 179.091 176.870 0.014 0.000 1.080 283 L CA 2.832 57.674 54.840 0.003 0.000 0.764 283 L CB -0.762 41.283 42.059 -0.023 0.000 0.890 283 L HN 0.751 nan 8.230 nan 0.000 0.435 284 G N -2.081 106.747 108.800 0.047 0.000 2.679 284 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.212 284 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.212 284 G C 0.588 175.571 174.900 0.138 0.000 1.137 284 G CA -0.023 45.114 45.100 0.062 0.000 0.787 284 G HN 0.389 nan 8.290 nan 0.000 0.534 285 F N 1.106 121.032 119.950 -0.040 0.000 2.361 285 F HA 0.389 4.915 4.527 -0.000 0.000 0.364 285 F C 0.492 176.270 175.800 -0.036 0.000 1.120 285 F CA -1.176 56.806 58.000 -0.031 0.000 1.102 285 F CB 0.913 39.877 39.000 -0.060 0.000 1.183 285 F HN -0.013 nan 8.300 nan 0.000 0.476 286 E N 5.875 126.008 120.200 -0.113 0.000 1.858 286 E HA 0.187 4.537 4.350 -0.000 0.000 0.278 286 E C -0.139 176.131 176.600 -0.551 0.000 1.172 286 E CA -0.465 55.786 56.400 -0.248 0.000 1.127 286 E CB 0.124 29.765 29.700 -0.099 0.000 1.084 286 E HN 0.697 nan 8.360 nan 0.000 0.455 287 A N 4.636 126.948 122.820 -0.846 0.000 2.477 287 A HA 0.222 4.542 4.320 -0.000 0.000 0.246 287 A C -2.214 175.152 177.584 -0.365 0.000 1.078 287 A CA -1.168 50.263 52.037 -1.010 0.000 0.770 287 A CB 0.090 18.656 19.000 -0.724 0.000 1.011 287 A HN 0.375 nan 8.150 nan 0.000 0.494 288 P HA 0.244 nan 4.420 nan 0.000 0.265 288 P C 1.057 178.387 177.300 0.049 0.000 1.193 288 P CA 1.817 64.903 63.100 -0.023 0.000 0.765 288 P CB 0.610 32.346 31.700 0.059 0.000 0.823 289 G N 2.211 111.014 108.800 0.005 0.000 2.179 289 G HA2 -0.289 3.670 3.960 -0.000 0.000 0.260 289 G HA3 -0.289 3.670 3.960 -0.000 0.000 0.260 289 G C 0.837 175.799 174.900 0.102 0.000 0.977 289 G CA 0.497 45.625 45.100 0.047 0.000 0.641 289 G HN 0.614 nan 8.290 nan 0.000 0.533 290 S N -0.001 115.633 115.700 -0.110 0.000 2.605 290 S HA 0.533 5.003 4.470 -0.000 0.000 0.217 290 S C 1.390 175.793 174.600 -0.328 0.000 0.958 290 S CA 0.727 58.680 58.200 -0.411 0.000 0.919 290 S CB 0.576 63.471 63.200 -0.510 0.000 0.780 290 S HN 1.564 nan 8.310 nan 0.000 0.507 291 G N 0.922 109.608 108.800 -0.189 0.000 2.554 291 G HA2 0.308 4.268 3.960 -0.000 0.000 0.238 291 G HA3 0.308 4.268 3.960 -0.000 0.000 0.238 291 G C 0.872 175.678 174.900 -0.156 0.000 1.259 291 G CA -0.204 44.805 45.100 -0.151 0.000 0.843 291 G HN 0.253 nan 8.290 nan 0.000 0.582 292 V N 1.106 120.935 119.914 -0.142 0.000 2.546 292 V HA -0.150 3.970 4.120 -0.000 0.000 0.254 292 V C 2.584 178.614 176.094 -0.108 0.000 1.076 292 V CA 2.640 64.855 62.300 -0.143 0.000 1.087 292 V CB -0.320 31.439 31.823 -0.106 0.000 0.674 292 V HN 0.908 nan 8.190 nan 0.000 0.470 293 E N -0.221 119.947 120.200 -0.053 0.000 2.511 293 E HA -0.186 4.163 4.350 -0.000 0.000 0.196 293 E C 1.983 178.628 176.600 0.076 0.000 1.066 293 E CA 0.879 57.289 56.400 0.016 0.000 0.871 293 E CB 0.002 29.710 29.700 0.014 0.000 0.863 293 E HN 0.661 nan 8.360 nan 0.000 0.520 294 R N -0.201 120.314 120.500 0.024 0.000 2.561 294 R HA 0.305 4.645 4.340 -0.000 0.000 0.213 294 R C 0.055 176.455 176.300 0.167 0.000 0.885 294 R CA 0.667 56.836 56.100 0.114 0.000 1.002 294 R CB 0.923 31.244 30.300 0.036 0.000 1.432 294 R HN 0.089 nan 8.270 nan 0.000 0.651 295 A N 1.010 123.793 122.820 -0.061 0.000 2.306 295 A HA 0.503 4.823 4.320 -0.000 0.000 0.314 295 A C -1.255 176.138 177.584 -0.319 0.000 1.164 295 A CA -0.335 51.663 52.037 -0.066 0.000 0.822 295 A CB 0.458 19.204 19.000 -0.423 0.000 1.130 295 A HN 0.369 nan 8.150 nan 0.000 0.496 296 H N 2.468 121.579 119.070 0.069 0.000 2.823 296 H HA 0.278 4.834 4.556 -0.000 0.000 0.332 296 H C -0.988 174.354 175.328 0.022 0.000 0.980 296 H CA -0.418 55.654 56.048 0.040 0.000 1.286 296 H CB 1.305 31.096 29.762 0.049 0.000 1.541 296 H HN 0.550 nan 8.280 nan 0.000 0.521 297 L N 3.765 125.018 121.223 0.049 0.000 2.455 297 L HA -0.036 4.304 4.340 -0.000 0.000 0.272 297 L C 2.013 178.877 176.870 -0.011 0.000 1.174 297 L CA 0.022 54.869 54.840 0.012 0.000 0.869 297 L CB 0.976 43.016 42.059 -0.031 0.000 1.130 297 L HN 0.545 nan 8.230 nan 0.000 0.474 298 L N 3.110 124.290 121.223 -0.072 0.000 2.013 298 L HA -0.272 4.068 4.340 -0.000 0.000 0.212 298 L C 2.503 179.313 176.870 -0.101 0.000 1.073 298 L CA 1.847 56.611 54.840 -0.126 0.000 0.753 298 L CB -0.123 41.802 42.059 -0.224 0.000 0.890 298 L HN 0.944 nan 8.230 nan 0.000 0.432 299 A N -0.566 122.199 122.820 -0.091 0.000 1.940 299 A HA -0.254 4.066 4.320 -0.000 0.000 0.219 299 A C 2.023 179.590 177.584 -0.030 0.000 1.176 299 A CA 1.872 53.874 52.037 -0.059 0.000 0.631 299 A CB -0.446 18.532 19.000 -0.037 0.000 0.814 299 A HN 0.584 nan 8.150 nan 0.000 0.446 300 E N -0.568 119.620 120.200 -0.020 0.000 2.158 300 E HA -0.059 4.291 4.350 -0.000 0.000 0.191 300 E C 1.953 178.561 176.600 0.014 0.000 0.982 300 E CA 0.891 57.288 56.400 -0.004 0.000 0.823 300 E CB -0.162 29.542 29.700 0.006 0.000 0.766 300 E HN 0.402 nan 8.360 nan 0.000 0.468 301 V N 1.623 121.552 119.914 0.026 0.000 2.295 301 V HA -0.279 3.841 4.120 -0.000 0.000 0.246 301 V C 2.245 178.363 176.094 0.039 0.000 1.049 301 V CA 1.557 63.888 62.300 0.053 0.000 1.024 301 V CB -0.380 31.379 31.823 -0.105 0.000 0.648 301 V HN 0.263 nan 8.190 nan 0.000 0.447 302 I N -0.146 120.419 120.570 -0.009 0.000 2.151 302 I HA -0.305 3.865 4.170 -0.000 0.000 0.243 302 I C 2.557 178.682 176.117 0.014 0.000 1.080 302 I CA 1.930 63.232 61.300 0.002 0.000 1.339 302 I CB -0.404 37.586 38.000 -0.016 0.000 1.039 302 I HN 0.384 nan 8.210 nan 0.000 0.409 303 E N 0.455 120.655 120.200 0.000 0.000 2.150 303 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 303 E C 1.886 178.464 176.600 -0.036 0.000 0.985 303 E CA 0.894 57.289 56.400 -0.009 0.000 0.814 303 E CB -0.100 29.593 29.700 -0.012 0.000 0.752 303 E HN 0.446 nan 8.360 nan 0.000 0.466 304 N N 0.823 119.478 118.700 -0.074 0.000 2.104 304 N HA -0.146 4.594 4.740 -0.000 0.000 0.190 304 N C 1.863 177.321 175.510 -0.086 0.000 1.024 304 N CA 0.906 53.833 53.050 -0.206 0.000 0.853 304 N CB -0.246 37.942 38.487 -0.498 0.000 1.008 304 N HN 0.162 nan 8.380 nan 0.000 0.424 305 L N 1.118 122.360 121.223 0.031 0.000 2.083 305 L HA -0.125 4.215 4.340 -0.000 0.000 0.209 305 L C 1.989 178.882 176.870 0.039 0.000 1.083 305 L CA 1.145 56.030 54.840 0.074 0.000 0.752 305 L CB -0.341 41.779 42.059 0.102 0.000 0.899 305 L HN 0.200 nan 8.230 nan 0.000 0.433 306 E N -1.098 119.116 120.200 0.023 0.000 2.204 306 E HA -0.179 4.170 4.350 -0.000 0.000 0.194 306 E C 2.104 178.711 176.600 0.012 0.000 0.989 306 E CA 1.117 57.528 56.400 0.019 0.000 0.824 306 E CB -0.034 29.677 29.700 0.017 0.000 0.756 306 E HN 0.506 nan 8.360 nan 0.000 0.477 307 C N 0.286 119.586 119.300 -0.001 0.000 2.865 307 C HA 0.090 4.550 4.460 -0.000 0.000 0.280 307 C C 0.541 175.537 174.990 0.009 0.000 1.255 307 C CA -0.215 58.802 59.018 -0.002 0.000 1.705 307 C CB 0.014 27.743 27.740 -0.017 0.000 2.080 307 C HN 0.283 nan 8.230 nan 0.000 0.591 308 D N -0.884 119.526 120.400 0.017 0.000 2.752 308 D HA 0.195 4.835 4.640 -0.000 0.000 0.242 308 D C -1.922 174.414 176.300 0.059 0.000 1.295 308 D CA -0.959 53.067 54.000 0.043 0.000 0.846 308 D CB 0.620 41.474 40.800 0.090 0.000 1.454 308 D HN -0.089 nan 8.370 nan 0.000 0.535 309 P HA -0.136 nan 4.420 nan 0.000 0.216 309 P C 0.877 178.226 177.300 0.081 0.000 1.154 309 P CA 1.061 64.198 63.100 0.061 0.000 0.865 309 P CB 0.226 31.951 31.700 0.042 0.000 0.789 310 R N -2.378 118.158 120.500 0.060 0.000 2.426 310 R HA 0.064 4.404 4.340 -0.000 0.000 0.263 310 R C 1.733 178.045 176.300 0.020 0.000 0.961 310 R CA -0.091 56.040 56.100 0.051 0.000 1.086 310 R CB -0.737 29.578 30.300 0.024 0.000 1.186 310 R HN 0.340 nan 8.270 nan 0.000 0.537 311 H N 0.307 119.313 119.070 -0.107 0.000 2.267 311 H HA -0.238 4.317 4.556 -0.000 0.000 0.291 311 H C 0.883 175.981 175.328 -0.384 0.000 1.094 311 H CA 2.285 58.149 56.048 -0.306 0.000 1.227 311 H CB -0.076 29.378 29.762 -0.514 0.000 1.351 311 H HN 0.235 nan 8.280 nan 0.000 0.483 312 Y N -0.680 119.654 120.300 0.056 0.000 2.578 312 Y HA -0.026 4.523 4.550 -0.000 0.000 0.297 312 Y C 1.956 177.776 175.900 -0.134 0.000 1.176 312 Y CA 0.284 58.344 58.100 -0.068 0.000 1.315 312 Y CB 0.347 38.762 38.460 -0.076 0.000 1.031 312 Y HN 0.335 nan 8.280 nan 0.000 0.524 313 Q N -0.881 118.929 119.800 0.017 0.000 2.394 313 Q HA 0.003 4.343 4.340 -0.000 0.000 0.218 313 Q C 1.741 177.729 176.000 -0.021 0.000 0.907 313 Q CA 0.691 56.501 55.803 0.013 0.000 0.919 313 Q CB 0.292 29.064 28.738 0.056 0.000 1.051 313 Q HN 0.482 nan 8.270 nan 0.000 0.538 314 Q N -0.554 119.196 119.800 -0.083 0.000 2.259 314 Q HA 0.142 4.482 4.340 -0.000 0.000 0.201 314 Q C 0.237 176.152 176.000 -0.143 0.000 0.938 314 Q CA 0.191 55.940 55.803 -0.091 0.000 0.872 314 Q CB 0.499 29.179 28.738 -0.096 0.000 0.971 314 Q HN 0.006 nan 8.270 nan 0.000 0.494 315 R N 1.541 121.872 120.500 -0.281 0.000 2.582 315 R HA 0.227 4.567 4.340 -0.000 0.000 0.271 315 R C -0.224 175.973 176.300 -0.171 0.000 1.078 315 R CA 0.134 56.043 56.100 -0.318 0.000 1.127 315 R CB 0.420 30.302 30.300 -0.697 0.000 1.038 315 R HN 0.010 nan 8.270 nan 0.000 0.500 316 T N 3.473 117.968 114.554 -0.099 0.000 2.851 316 T HA 0.339 4.689 4.350 -0.000 0.000 0.298 316 T C 0.418 175.133 174.700 0.025 0.000 0.977 316 T CA -0.224 61.871 62.100 -0.009 0.000 1.126 316 T CB 0.409 69.276 68.868 -0.001 0.000 0.916 316 T HN 0.176 nan 8.240 nan 0.000 0.529 317 L N 2.732 124.021 121.223 0.111 0.000 2.334 317 L HA 0.534 4.873 4.340 -0.000 0.000 0.273 317 L C 0.350 177.420 176.870 0.333 0.000 1.013 317 L CA -0.845 54.123 54.840 0.214 0.000 0.816 317 L CB 1.969 44.115 42.059 0.145 0.000 1.278 317 L HN 0.550 nan 8.230 nan 0.000 0.431 318 T N 2.794 117.560 114.554 0.354 0.000 2.792 318 T HA 0.717 5.067 4.350 -0.000 0.000 0.280 318 T C -0.771 174.140 174.700 0.352 0.000 0.990 318 T CA -0.316 61.904 62.100 0.199 0.000 0.960 318 T CB 0.823 69.755 68.868 0.107 0.000 0.939 318 T HN 0.399 nan 8.240 nan 0.000 0.439 319 F N 0.130 120.161 119.950 0.136 0.000 2.711 319 F HA 0.896 5.422 4.527 -0.000 0.000 0.313 319 F C -0.768 175.050 175.800 0.030 0.000 1.141 319 F CA -1.847 56.207 58.000 0.089 0.000 0.941 319 F CB 0.817 39.854 39.000 0.061 0.000 1.349 319 F HN 0.587 nan 8.300 nan 0.000 0.464 320 A N 1.797 124.733 122.820 0.195 0.000 2.325 320 A HA 0.874 5.194 4.320 -0.000 0.000 0.333 320 A C -1.293 176.385 177.584 0.156 0.000 1.155 320 A CA -0.777 51.306 52.037 0.078 0.000 0.814 320 A CB 1.078 20.101 19.000 0.039 0.000 1.206 320 A HN 0.796 nan 8.150 nan 0.000 0.482 321 L N 1.360 122.632 121.223 0.082 0.000 2.341 321 L HA 0.521 4.861 4.340 -0.000 0.000 0.267 321 L C 0.207 177.094 176.870 0.029 0.000 1.009 321 L CA -0.912 53.979 54.840 0.084 0.000 0.819 321 L CB 2.003 44.116 42.059 0.090 0.000 1.323 321 L HN 0.818 nan 8.230 nan 0.000 0.425 322 R N 0.685 121.197 120.500 0.020 0.000 2.623 322 R HA 0.137 4.477 4.340 -0.000 0.000 0.271 322 R C 0.933 177.236 176.300 0.004 0.000 1.043 322 R CA 0.223 56.326 56.100 0.006 0.000 1.083 322 R CB 0.562 30.862 30.300 0.001 0.000 0.974 322 R HN 0.808 nan 8.270 nan 0.000 0.436 323 A N 2.359 125.180 122.820 0.000 0.000 2.178 323 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 323 A C 0.971 178.555 177.584 -0.001 0.000 1.157 323 A CA 1.551 53.586 52.037 -0.002 0.000 0.689 323 A CB -0.262 18.737 19.000 -0.002 0.000 0.787 323 A HN 0.848 nan 8.150 nan 0.000 0.465 324 D N -1.011 119.390 120.400 0.002 0.000 2.424 324 D HA 0.037 4.677 4.640 -0.000 0.000 0.220 324 D C -0.297 176.007 176.300 0.006 0.000 1.150 324 D CA -0.400 53.603 54.000 0.004 0.000 0.831 324 D CB -0.310 40.494 40.800 0.006 0.000 0.981 324 D HN 0.178 nan 8.370 nan 0.000 0.500 325 D N 1.606 122.009 120.400 0.005 0.000 2.343 325 D HA 0.073 4.713 4.640 -0.000 0.000 0.255 325 D C -1.382 174.909 176.300 -0.015 0.000 1.187 325 D CA -1.812 52.191 54.000 0.006 0.000 0.875 325 D CB 2.088 42.896 40.800 0.013 0.000 1.136 325 D HN -0.104 nan 8.370 nan 0.000 0.469 326 P HA -0.170 nan 4.420 nan 0.000 0.216 326 P C 1.639 178.836 177.300 -0.171 0.000 1.150 326 P CA 0.426 63.507 63.100 -0.031 0.000 0.843 326 P CB 0.185 31.933 31.700 0.081 0.000 0.787 327 L N -0.924 120.109 121.223 -0.317 0.000 2.127 327 L HA -0.154 4.186 4.340 -0.000 0.000 0.211 327 L C 2.180 178.974 176.870 -0.126 0.000 1.089 327 L CA 1.615 56.236 54.840 -0.364 0.000 0.757 327 L CB -1.516 40.362 42.059 -0.301 0.000 0.899 327 L HN -0.130 nan 8.230 nan 0.000 0.434 328 L N -0.310 120.875 121.223 -0.062 0.000 2.017 328 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 328 L C 2.560 179.407 176.870 -0.039 0.000 1.073 328 L CA 2.117 56.938 54.840 -0.032 0.000 0.745 328 L CB -0.814 41.234 42.059 -0.019 0.000 0.894 328 L HN 0.274 nan 8.230 nan 0.000 0.432 329 K N -0.565 119.811 120.400 -0.040 0.000 2.097 329 K HA -0.109 4.210 4.320 -0.000 0.000 0.205 329 K C 2.014 178.594 176.600 -0.033 0.000 1.050 329 K CA 1.526 57.795 56.287 -0.031 0.000 0.938 329 K CB -0.451 32.037 32.500 -0.020 0.000 0.718 329 K HN 0.381 nan 8.250 nan 0.000 0.442 330 L N 0.141 121.332 121.223 -0.053 0.000 1.971 330 L HA -0.250 4.090 4.340 -0.000 0.000 0.215 330 L C 2.320 179.173 176.870 -0.028 0.000 1.072 330 L CA 1.561 56.373 54.840 -0.047 0.000 0.758 330 L CB -0.547 41.459 42.059 -0.089 0.000 0.889 330 L HN 0.188 nan 8.230 nan 0.000 0.433 331 L N -1.021 120.186 121.223 -0.027 0.000 2.046 331 L HA -0.246 4.094 4.340 -0.000 0.000 0.208 331 L C 2.697 179.557 176.870 -0.016 0.000 1.077 331 L CA 1.284 56.121 54.840 -0.006 0.000 0.747 331 L CB -0.488 41.577 42.059 0.010 0.000 0.896 331 L HN 0.324 nan 8.230 nan 0.000 0.432 332 Q N -0.235 119.550 119.800 -0.025 0.000 2.084 332 Q HA -0.223 4.117 4.340 -0.000 0.000 0.202 332 Q C 2.151 178.141 176.000 -0.017 0.000 0.978 332 Q CA 1.554 57.342 55.803 -0.025 0.000 0.844 332 Q CB -0.091 28.631 28.738 -0.027 0.000 0.898 332 Q HN 0.510 nan 8.270 nan 0.000 0.426 333 E N 0.627 120.819 120.200 -0.014 0.000 2.049 333 E HA -0.260 4.090 4.350 -0.000 0.000 0.198 333 E C 2.029 178.626 176.600 -0.005 0.000 1.007 333 E CA 1.120 57.515 56.400 -0.009 0.000 0.809 333 E CB -0.258 29.437 29.700 -0.007 0.000 0.749 333 E HN 0.381 nan 8.360 nan 0.000 0.450 334 A N 1.086 123.905 122.820 -0.003 0.000 1.948 334 A HA -0.287 4.032 4.320 -0.000 0.000 0.220 334 A C 1.968 179.553 177.584 0.001 0.000 1.177 334 A CA 1.759 53.798 52.037 0.002 0.000 0.636 334 A CB -0.474 18.531 19.000 0.008 0.000 0.815 334 A HN 0.247 nan 8.150 nan 0.000 0.449 335 Q N -0.494 119.304 119.800 -0.003 0.000 2.425 335 Q HA 0.005 4.345 4.340 -0.000 0.000 0.204 335 Q C 1.090 177.086 176.000 -0.008 0.000 0.933 335 Q CA 0.278 56.078 55.803 -0.005 0.000 0.939 335 Q CB 0.096 28.827 28.738 -0.012 0.000 1.044 335 Q HN 0.943 nan 8.270 nan 0.000 0.513 336 Q N 0.000 119.795 119.800 -0.008 0.000 2.315 336 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 336 Q CA 0.000 55.798 55.803 -0.008 0.000 1.022 336 Q CB 0.000 28.733 28.738 -0.009 0.000 1.108 336 Q HN 0.000 nan 8.270 nan 0.000 0.481