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 1s9i_1_A DATA FIRST_RESID 60 DATA SEQUENCE QKAKVGELKD DDFERISELG AGNGGVVTKV QHRPSGLIMA RKLIHLEIKP DATA SEQUENCE AIRNQIIREL QVLHECNSPY IVGFYGAFYS DGEISICMEH MDGGSLDQVL DATA SEQUENCE KEAKRIPEEI LGKVSIAVLR GLAYLREKHQ IMHRDVKPSN ILVNSRGEIK DATA SEQUENCE LCDFGVSGQL IDSMXXXXVG TRSYMAPERL QGTHYSVQSD IWSMGLSLVE DATA SEQUENCE LAVGRYPIPP PDAKELEAIF GRPVVDXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXRPAMAIF ELLDYIVNEP PPKLPNGVFT PDFQEFVNKC LIKNPAERAD DATA SEQUENCE LKMLTNHTFI KRSEVEEVDF AGWLCKTLRL NQPG 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 60 Q HA 0.000 nan 4.340 nan 0.000 0.214 60 Q C 0.000 176.004 176.000 0.007 0.000 1.003 60 Q CA 0.000 55.820 55.803 0.028 0.000 1.022 60 Q CB 0.000 28.756 28.738 0.031 0.000 1.108 61 K N 1.473 121.886 120.400 0.022 0.000 3.309 61 K HA 0.531 4.851 4.320 -0.000 0.000 0.187 61 K C -0.442 176.187 176.600 0.049 0.000 1.085 61 K CA 0.133 56.431 56.287 0.018 0.000 0.867 61 K CB 0.855 33.364 32.500 0.015 0.000 0.846 61 K HN 0.541 nan 8.250 nan 0.000 0.522 62 A N 2.157 125.031 122.820 0.090 0.000 2.445 62 A HA 0.367 4.687 4.320 -0.000 0.000 0.242 62 A C -0.320 177.366 177.584 0.170 0.000 1.075 62 A CA 0.061 52.187 52.037 0.149 0.000 0.777 62 A CB 0.285 19.428 19.000 0.239 0.000 1.013 62 A HN 0.347 nan 8.150 nan 0.000 0.493 63 K N 1.630 122.107 120.400 0.128 0.000 2.468 63 K HA 0.581 4.901 4.320 -0.000 0.000 0.252 63 K C -0.845 175.803 176.600 0.080 0.000 0.932 63 K CA -0.565 55.783 56.287 0.102 0.000 0.794 63 K CB 1.143 33.678 32.500 0.058 0.000 1.241 63 K HN 0.386 nan 8.250 nan 0.000 0.428 64 V N 0.131 120.087 119.914 0.071 0.000 3.102 64 V HA 0.312 4.432 4.120 -0.000 0.000 0.225 64 V C 1.220 177.340 176.094 0.044 0.000 1.301 64 V CA 0.920 63.257 62.300 0.062 0.000 1.308 64 V CB 0.497 32.373 31.823 0.088 0.000 1.129 64 V HN 0.878 nan 8.190 nan 0.000 0.502 65 G N -0.247 108.574 108.800 0.035 0.000 3.738 65 G HA2 0.200 4.160 3.960 -0.000 0.000 0.241 65 G HA3 0.200 4.160 3.960 -0.000 0.000 0.241 65 G C -0.100 174.823 174.900 0.038 0.000 1.068 65 G CA -0.036 45.089 45.100 0.041 0.000 0.899 65 G HN 0.314 nan 8.290 nan 0.000 0.519 66 E N 1.254 121.470 120.200 0.027 0.000 2.129 66 E HA 0.490 4.840 4.350 -0.000 0.000 0.283 66 E C -0.459 176.139 176.600 -0.003 0.000 1.080 66 E CA -0.327 56.084 56.400 0.018 0.000 0.867 66 E CB 0.561 30.263 29.700 0.003 0.000 1.056 66 E HN 0.093 nan 8.360 nan 0.000 0.404 67 L N 5.081 126.294 121.223 -0.017 0.000 2.265 67 L HA 0.382 4.722 4.340 -0.000 0.000 0.288 67 L C 0.191 176.877 176.870 -0.306 0.000 1.058 67 L CA -0.333 54.466 54.840 -0.068 0.000 0.809 67 L CB 0.709 42.816 42.059 0.080 0.000 1.179 67 L HN 0.181 nan 8.230 nan 0.000 0.429 68 K N 1.719 121.964 120.400 -0.258 0.000 2.159 68 K HA 0.165 4.485 4.320 -0.000 0.000 0.266 68 K C 0.417 176.880 176.600 -0.228 0.000 0.975 68 K CA -0.506 55.599 56.287 -0.303 0.000 0.865 68 K CB 2.233 34.603 32.500 -0.216 0.000 1.087 68 K HN 0.604 nan 8.250 nan 0.000 0.446 69 D N 1.854 122.120 120.400 -0.223 0.000 2.133 69 D HA -0.209 4.431 4.640 -0.000 0.000 0.195 69 D C 0.377 176.779 176.300 0.171 0.000 0.997 69 D CA 1.771 55.822 54.000 0.084 0.000 0.840 69 D CB 0.334 41.173 40.800 0.066 0.000 0.947 69 D HN 0.500 nan 8.370 nan 0.000 0.452 70 D N -0.361 120.045 120.400 0.010 0.000 2.363 70 D HA -0.040 4.600 4.640 -0.000 0.000 0.226 70 D C 0.859 177.106 176.300 -0.088 0.000 1.020 70 D CA 0.360 54.353 54.000 -0.013 0.000 0.892 70 D CB -0.046 40.729 40.800 -0.042 0.000 0.900 70 D HN 0.245 nan 8.370 nan 0.000 0.531 71 D N -0.795 119.482 120.400 -0.205 0.000 2.355 71 D HA 0.002 4.642 4.640 -0.000 0.000 0.218 71 D C -0.134 175.878 176.300 -0.479 0.000 1.004 71 D CA 0.191 53.921 54.000 -0.450 0.000 0.880 71 D CB 0.203 40.567 40.800 -0.726 0.000 0.911 71 D HN 0.183 nan 8.370 nan 0.000 0.528 72 F N 0.568 120.512 119.950 -0.010 0.000 2.425 72 F HA 0.354 4.881 4.527 -0.000 0.000 0.331 72 F C 0.759 176.565 175.800 0.009 0.000 1.085 72 F CA -0.702 57.322 58.000 0.039 0.000 1.028 72 F CB 1.659 40.712 39.000 0.089 0.000 1.177 72 F HN -0.385 nan 8.300 nan 0.000 0.487 73 E N 2.264 122.592 120.200 0.214 0.000 2.265 73 E HA 0.218 4.568 4.350 -0.000 0.000 0.262 73 E C -0.881 175.773 176.600 0.090 0.000 0.889 73 E CA -0.885 55.578 56.400 0.105 0.000 0.789 73 E CB 1.292 31.017 29.700 0.042 0.000 1.221 73 E HN 0.559 nan 8.360 nan 0.000 0.414 74 R N 4.079 124.620 120.500 0.068 0.000 2.473 74 R HA 0.056 4.396 4.340 -0.000 0.000 0.315 74 R C 0.721 177.035 176.300 0.024 0.000 0.972 74 R CA 0.552 56.677 56.100 0.042 0.000 1.047 74 R CB 0.312 30.631 30.300 0.032 0.000 0.932 74 R HN 0.553 nan 8.270 nan 0.000 0.411 75 I N 0.472 121.050 120.570 0.013 0.000 3.325 75 I HA 0.040 4.209 4.170 -0.000 0.000 0.237 75 I C 0.299 176.415 176.117 -0.002 0.000 1.068 75 I CA 0.293 61.592 61.300 -0.001 0.000 1.511 75 I CB 0.111 38.099 38.000 -0.018 0.000 1.409 75 I HN 0.371 nan 8.210 nan 0.000 0.464 76 S N 0.013 115.710 115.700 -0.006 0.000 2.600 76 S HA 0.453 4.923 4.470 -0.000 0.000 0.300 76 S C -0.737 173.868 174.600 0.008 0.000 1.087 76 S CA -0.580 57.621 58.200 0.002 0.000 0.965 76 S CB 2.384 65.586 63.200 0.003 0.000 1.089 76 S HN 0.081 nan 8.310 nan 0.000 0.496 77 E N 0.632 120.840 120.200 0.013 0.000 2.283 77 E HA 0.392 4.742 4.350 -0.000 0.000 0.278 77 E C 0.032 176.647 176.600 0.025 0.000 1.027 77 E CA -0.140 56.270 56.400 0.016 0.000 0.843 77 E CB 0.700 30.407 29.700 0.012 0.000 1.062 77 E HN 0.545 nan 8.360 nan 0.000 0.401 78 L N 2.172 123.414 121.223 0.031 0.000 2.425 78 L HA 0.458 4.798 4.340 -0.000 0.000 0.215 78 L C 0.888 177.782 176.870 0.039 0.000 1.065 78 L CA 0.565 55.434 54.840 0.047 0.000 0.842 78 L CB 0.292 42.391 42.059 0.066 0.000 1.033 78 L HN 0.719 nan 8.230 nan 0.000 0.474 79 G N -0.745 108.072 108.800 0.028 0.000 2.368 79 G HA2 0.469 4.429 3.960 -0.000 0.000 0.302 79 G HA3 0.469 4.429 3.960 -0.000 0.000 0.302 79 G C -2.051 172.859 174.900 0.016 0.000 1.329 79 G CA -0.166 44.948 45.100 0.023 0.000 0.935 79 G HN 0.209 nan 8.290 nan 0.000 0.590 80 A N -1.482 121.346 122.820 0.014 0.000 2.612 80 A HA 1.240 5.560 4.320 -0.000 0.000 0.293 80 A C -0.005 177.585 177.584 0.010 0.000 1.075 80 A CA 0.230 52.272 52.037 0.009 0.000 0.680 80 A CB 1.501 20.503 19.000 0.003 0.000 1.279 80 A HN 2.850 nan 8.150 nan 0.000 0.411 81 G N 0.162 108.967 108.800 0.009 0.000 2.376 81 G HA2 0.425 4.385 3.960 -0.000 0.000 0.302 81 G HA3 0.425 4.385 3.960 -0.000 0.000 0.302 81 G C -0.352 174.555 174.900 0.011 0.000 1.586 81 G CA 0.098 45.205 45.100 0.012 0.000 0.907 81 G HN 1.572 nan 8.290 nan 0.000 0.655 82 N N -0.438 118.271 118.700 0.014 0.000 2.707 82 N HA -0.133 4.607 4.740 -0.000 0.000 0.253 82 N C 1.077 176.591 175.510 0.008 0.000 0.998 82 N CA 2.765 55.824 53.050 0.015 0.000 0.751 82 N CB -0.743 37.758 38.487 0.023 0.000 0.920 82 N HN 2.576 nan 8.380 nan 0.000 0.539 83 G N -1.135 107.670 108.800 0.007 0.000 2.473 83 G HA2 0.218 4.178 3.960 -0.000 0.000 0.289 83 G HA3 0.218 4.178 3.960 -0.000 0.000 0.289 83 G C 0.236 175.136 174.900 0.001 0.000 1.084 83 G CA 0.372 45.477 45.100 0.008 0.000 1.215 83 G HN 1.122 nan 8.290 nan 0.000 0.527 84 G N -1.873 106.929 108.800 0.003 0.000 2.429 84 G HA2 0.660 4.620 3.960 -0.000 0.000 0.300 84 G HA3 0.660 4.620 3.960 -0.000 0.000 0.300 84 G C -1.060 173.839 174.900 -0.002 0.000 1.598 84 G CA 0.229 45.325 45.100 -0.006 0.000 0.863 84 G HN 1.543 nan 8.290 nan 0.000 0.614 85 V N 0.832 120.742 119.914 -0.007 0.000 2.462 85 V HA 0.504 4.624 4.120 -0.000 0.000 0.288 85 V C 0.129 176.216 176.094 -0.012 0.000 1.020 85 V CA -0.891 61.406 62.300 -0.004 0.000 0.857 85 V CB 1.297 33.121 31.823 0.001 0.000 1.013 85 V HN 0.781 nan 8.190 nan 0.000 0.431 86 V N 3.834 123.747 119.914 -0.001 0.000 2.461 86 V HA 0.547 4.667 4.120 -0.000 0.000 0.275 86 V C 0.498 176.598 176.094 0.010 0.000 1.047 86 V CA 0.157 62.460 62.300 0.005 0.000 0.955 86 V CB 1.253 33.090 31.823 0.024 0.000 0.988 86 V HN 0.963 nan 8.190 nan 0.000 0.471 87 T N 4.305 118.860 114.554 0.001 0.000 2.861 87 T HA 0.372 4.722 4.350 -0.000 0.000 0.287 87 T C -0.385 174.320 174.700 0.008 0.000 1.003 87 T CA -0.820 61.281 62.100 0.002 0.000 0.977 87 T CB 1.764 70.623 68.868 -0.015 0.000 0.996 87 T HN 0.621 nan 8.240 nan 0.000 0.448 88 K N 3.000 123.404 120.400 0.006 0.000 2.349 88 K HA 0.471 4.791 4.320 -0.000 0.000 0.289 88 K C -0.320 176.273 176.600 -0.012 0.000 1.064 88 K CA -0.414 55.858 56.287 -0.025 0.000 0.947 88 K CB 0.031 32.493 32.500 -0.062 0.000 1.007 88 K HN 0.562 nan 8.250 nan 0.000 0.478 89 V N 0.576 120.496 119.914 0.010 0.000 2.914 89 V HA 0.477 4.597 4.120 -0.000 0.000 0.314 89 V C -0.967 175.189 176.094 0.103 0.000 1.084 89 V CA -1.140 61.212 62.300 0.086 0.000 0.963 89 V CB 1.894 33.809 31.823 0.153 0.000 1.025 89 V HN 0.662 nan 8.190 nan 0.000 0.432 90 Q N 1.262 121.135 119.800 0.122 0.000 2.312 90 Q HA 0.390 4.730 4.340 -0.000 0.000 0.263 90 Q C -1.264 174.784 176.000 0.079 0.000 0.995 90 Q CA -0.506 55.340 55.803 0.072 0.000 0.853 90 Q CB 1.684 30.432 28.738 0.015 0.000 1.300 90 Q HN 1.022 nan 8.270 nan 0.000 0.448 91 H N 3.024 122.015 119.070 -0.132 0.000 2.620 91 H HA 0.144 4.700 4.556 -0.000 0.000 0.313 91 H C 0.849 176.043 175.328 -0.225 0.000 1.075 91 H CA 0.050 55.915 56.048 -0.305 0.000 1.397 91 H CB 1.049 30.604 29.762 -0.345 0.000 1.446 91 H HN 0.614 nan 8.280 nan 0.000 0.493 92 R N 3.458 123.673 120.500 -0.475 0.000 2.073 92 R HA -0.059 4.281 4.340 -0.000 0.000 0.234 92 R C -1.042 175.075 176.300 -0.305 0.000 1.134 92 R CA 1.202 57.102 56.100 -0.335 0.000 0.952 92 R CB -0.587 29.523 30.300 -0.316 0.000 0.850 92 R HN 0.538 nan 8.270 nan 0.000 0.433 93 P HA 0.177 nan 4.420 nan 0.000 0.243 93 P C -0.698 176.528 177.300 -0.122 0.000 1.672 93 P CA 0.394 63.344 63.100 -0.250 0.000 1.000 93 P CB 0.854 32.388 31.700 -0.276 0.000 1.562 94 S N -3.424 112.232 115.700 -0.074 0.000 2.364 94 S HA 0.303 4.772 4.470 -0.000 0.000 0.274 94 S C 1.369 175.967 174.600 -0.003 0.000 1.016 94 S CA 0.570 58.775 58.200 0.008 0.000 1.332 94 S CB -0.887 62.370 63.200 0.095 0.000 1.056 94 S HN 0.246 nan 8.310 nan 0.000 0.525 95 G N 1.606 110.393 108.800 -0.022 0.000 2.176 95 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.252 95 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.252 95 G C -0.276 174.623 174.900 -0.002 0.000 1.024 95 G CA 0.499 45.588 45.100 -0.018 0.000 0.755 95 G HN 0.699 nan 8.290 nan 0.000 0.507 96 L N 1.006 122.229 121.223 -0.001 0.000 2.262 96 L HA 0.555 4.895 4.340 -0.000 0.000 0.288 96 L C 1.123 177.969 176.870 -0.040 0.000 1.035 96 L CA -1.301 53.527 54.840 -0.019 0.000 0.820 96 L CB 0.978 43.001 42.059 -0.061 0.000 1.204 96 L HN 0.295 nan 8.230 nan 0.000 0.424 97 I N 2.945 123.507 120.570 -0.012 0.000 2.576 97 I HA 0.155 4.325 4.170 -0.000 0.000 0.288 97 I C 0.263 176.378 176.117 -0.002 0.000 1.126 97 I CA 0.250 61.526 61.300 -0.040 0.000 1.362 97 I CB -0.124 37.809 38.000 -0.112 0.000 1.419 97 I HN 0.504 nan 8.210 nan 0.000 0.533 98 M N 4.821 124.417 119.600 -0.008 0.000 2.811 98 M HA 0.875 5.355 4.480 -0.000 0.000 0.303 98 M C -0.305 176.062 176.300 0.111 0.000 1.227 98 M CA -0.899 54.444 55.300 0.070 0.000 0.874 98 M CB 1.559 34.086 32.600 -0.122 0.000 1.681 98 M HN 0.576 nan 8.290 nan 0.000 0.500 99 A N 1.333 124.262 122.820 0.181 0.000 2.305 99 A HA 0.700 5.020 4.320 -0.000 0.000 0.322 99 A C -0.662 176.952 177.584 0.050 0.000 1.187 99 A CA -0.683 51.428 52.037 0.123 0.000 0.825 99 A CB 0.939 20.039 19.000 0.166 0.000 1.164 99 A HN 0.811 nan 8.150 nan 0.000 0.498 100 R N 2.303 122.786 120.500 -0.028 0.000 2.480 100 R HA 0.387 4.727 4.340 -0.000 0.000 0.306 100 R C -1.267 174.974 176.300 -0.098 0.000 0.958 100 R CA -0.432 55.593 56.100 -0.125 0.000 0.861 100 R CB 1.320 31.458 30.300 -0.270 0.000 1.171 100 R HN 0.778 nan 8.270 nan 0.000 0.445 101 K N 5.021 125.355 120.400 -0.110 0.000 2.265 101 K HA 0.280 4.600 4.320 -0.000 0.000 0.267 101 K C -0.655 175.873 176.600 -0.120 0.000 0.994 101 K CA -0.731 55.503 56.287 -0.088 0.000 0.860 101 K CB 0.894 33.354 32.500 -0.067 0.000 1.099 101 K HN 0.325 nan 8.250 nan 0.000 0.448 102 L N 6.627 127.802 121.223 -0.080 0.000 2.302 102 L HA 0.299 4.639 4.340 -0.000 0.000 0.285 102 L C -0.124 176.731 176.870 -0.025 0.000 1.090 102 L CA -0.268 54.535 54.840 -0.061 0.000 0.866 102 L CB 0.103 42.158 42.059 -0.006 0.000 1.244 102 L HN 0.596 nan 8.230 nan 0.000 0.435 103 I N 2.984 123.520 120.570 -0.055 0.000 2.294 103 I HA 0.052 4.222 4.170 -0.000 0.000 0.295 103 I C 0.798 176.909 176.117 -0.010 0.000 1.098 103 I CA -0.176 61.108 61.300 -0.027 0.000 1.277 103 I CB 0.084 38.051 38.000 -0.056 0.000 1.434 103 I HN 0.388 nan 8.210 nan 0.000 0.498 104 H N 6.583 125.632 119.070 -0.036 0.000 3.195 104 H HA 0.306 4.862 4.556 -0.000 0.000 0.241 104 H C -0.270 175.048 175.328 -0.016 0.000 1.823 104 H CA -0.022 56.012 56.048 -0.023 0.000 1.466 104 H CB -0.043 29.709 29.762 -0.017 0.000 1.819 104 H HN 0.489 nan 8.280 nan 0.000 0.575 105 L N 2.907 124.103 121.223 -0.044 0.000 2.331 105 L HA 0.074 4.414 4.340 -0.000 0.000 0.278 105 L C 0.979 177.834 176.870 -0.025 0.000 1.106 105 L CA -0.374 54.455 54.840 -0.019 0.000 0.824 105 L CB 1.077 43.116 42.059 -0.033 0.000 1.142 105 L HN 0.666 nan 8.230 nan 0.000 0.443 106 E N 3.232 123.441 120.200 0.015 0.000 1.997 106 E HA -0.104 4.246 4.350 -0.000 0.000 0.196 106 E C 0.366 176.967 176.600 0.001 0.000 0.990 106 E CA 0.403 56.817 56.400 0.023 0.000 0.845 106 E CB -0.215 29.506 29.700 0.033 0.000 0.795 106 E HN 0.417 nan 8.360 nan 0.000 0.479 107 I N 1.282 121.853 120.570 0.000 0.000 2.919 107 I HA -0.161 4.009 4.170 -0.000 0.000 0.303 107 I C 0.645 176.752 176.117 -0.016 0.000 1.221 107 I CA 1.154 62.451 61.300 -0.006 0.000 1.444 107 I CB 0.382 38.378 38.000 -0.006 0.000 1.331 107 I HN 0.119 nan 8.210 nan 0.000 0.572 108 K N 6.883 127.273 120.400 -0.018 0.000 3.054 108 K HA 0.322 4.642 4.320 -0.000 0.000 0.203 108 K C -2.461 174.116 176.600 -0.039 0.000 1.126 108 K CA -0.840 55.430 56.287 -0.027 0.000 1.023 108 K CB 0.329 32.819 32.500 -0.018 0.000 0.722 108 K HN 0.444 nan 8.250 nan 0.000 0.441 109 P HA 0.306 nan 4.420 nan 0.000 0.340 109 P C 0.587 177.853 177.300 -0.057 0.000 1.327 109 P CA -0.226 62.848 63.100 -0.043 0.000 0.823 109 P CB 0.162 31.845 31.700 -0.028 0.000 1.953 110 A N -0.809 121.984 122.820 -0.046 0.000 2.216 110 A HA -0.050 4.270 4.320 -0.000 0.000 0.214 110 A C 1.999 179.560 177.584 -0.039 0.000 1.160 110 A CA 0.898 52.907 52.037 -0.046 0.000 0.725 110 A CB -1.288 17.692 19.000 -0.033 0.000 0.784 110 A HN 0.246 nan 8.150 nan 0.000 0.472 111 I N 0.263 120.813 120.570 -0.034 0.000 2.233 111 I HA -0.164 4.006 4.170 -0.000 0.000 0.243 111 I C 2.626 178.724 176.117 -0.032 0.000 1.093 111 I CA 1.482 62.765 61.300 -0.028 0.000 1.380 111 I CB -0.999 36.988 38.000 -0.022 0.000 1.067 111 I HN 0.532 nan 8.210 nan 0.000 0.413 112 R N 1.375 121.852 120.500 -0.039 0.000 2.139 112 R HA -0.215 4.125 4.340 -0.000 0.000 0.243 112 R C 1.609 177.884 176.300 -0.043 0.000 1.145 112 R CA 1.892 57.969 56.100 -0.040 0.000 0.976 112 R CB -0.861 29.411 30.300 -0.047 0.000 0.866 112 R HN 0.453 nan 8.270 nan 0.000 0.449 113 N N 0.235 118.896 118.700 -0.065 0.000 2.396 113 N HA -0.145 4.595 4.740 -0.000 0.000 0.180 113 N C 1.757 177.254 175.510 -0.021 0.000 1.028 113 N CA 0.731 53.745 53.050 -0.061 0.000 0.893 113 N CB 0.073 38.509 38.487 -0.085 0.000 0.967 113 N HN 0.480 nan 8.380 nan 0.000 0.440 114 Q N 0.550 120.338 119.800 -0.020 0.000 2.269 114 Q HA 0.020 4.360 4.340 -0.000 0.000 0.201 114 Q C 2.001 177.996 176.000 -0.008 0.000 0.946 114 Q CA 0.334 56.130 55.803 -0.010 0.000 0.877 114 Q CB 0.293 29.023 28.738 -0.014 0.000 0.963 114 Q HN 0.354 nan 8.270 nan 0.000 0.472 115 I N 0.275 120.838 120.570 -0.012 0.000 2.113 115 I HA -0.319 3.851 4.170 -0.000 0.000 0.238 115 I C 2.060 178.175 176.117 -0.004 0.000 1.070 115 I CA 1.120 62.409 61.300 -0.017 0.000 1.332 115 I CB -0.166 37.820 38.000 -0.023 0.000 1.044 115 I HN 0.198 nan 8.210 nan 0.000 0.402 116 I N 0.241 120.827 120.570 0.028 0.000 2.226 116 I HA -0.284 3.886 4.170 -0.000 0.000 0.245 116 I C 2.626 178.787 176.117 0.073 0.000 1.100 116 I CA 1.310 62.653 61.300 0.072 0.000 1.374 116 I CB -0.253 37.828 38.000 0.135 0.000 1.057 116 I HN 0.079 nan 8.210 nan 0.000 0.413 117 R N 0.529 121.063 120.500 0.056 0.000 2.152 117 R HA -0.144 4.196 4.340 -0.000 0.000 0.232 117 R C 2.080 178.399 176.300 0.031 0.000 1.117 117 R CA 1.337 57.469 56.100 0.053 0.000 0.981 117 R CB -0.119 30.203 30.300 0.037 0.000 0.870 117 R HN 0.389 nan 8.270 nan 0.000 0.451 118 E N -0.522 119.680 120.200 0.004 0.000 2.170 118 E HA -0.058 4.292 4.350 -0.000 0.000 0.191 118 E C 1.721 178.286 176.600 -0.059 0.000 0.981 118 E CA 0.542 56.928 56.400 -0.023 0.000 0.830 118 E CB 0.103 29.783 29.700 -0.033 0.000 0.775 118 E HN 0.318 nan 8.360 nan 0.000 0.470 119 L N 1.175 122.357 121.223 -0.068 0.000 2.201 119 L HA -0.194 4.146 4.340 -0.000 0.000 0.212 119 L C 2.396 179.144 176.870 -0.203 0.000 1.105 119 L CA 0.611 55.355 54.840 -0.160 0.000 0.775 119 L CB -0.167 41.825 42.059 -0.111 0.000 0.913 119 L HN 0.090 nan 8.230 nan 0.000 0.440 120 Q N -0.187 119.595 119.800 -0.031 0.000 2.248 120 Q HA -0.173 4.167 4.340 -0.000 0.000 0.208 120 Q C 2.324 178.338 176.000 0.024 0.000 0.984 120 Q CA 1.791 57.640 55.803 0.076 0.000 0.875 120 Q CB -0.668 28.178 28.738 0.180 0.000 0.910 120 Q HN 0.617 nan 8.270 nan 0.000 0.433 121 V N -2.101 117.782 119.914 -0.051 0.000 3.140 121 V HA -0.169 3.951 4.120 -0.000 0.000 0.269 121 V C 1.987 177.985 176.094 -0.160 0.000 1.149 121 V CA 1.083 63.347 62.300 -0.059 0.000 1.162 121 V CB -1.014 30.758 31.823 -0.085 0.000 0.756 121 V HN 0.164 nan 8.190 nan 0.000 0.523 122 L N -0.460 120.560 121.223 -0.338 0.000 2.395 122 L HA 0.024 4.364 4.340 -0.000 0.000 0.218 122 L C 2.490 179.291 176.870 -0.115 0.000 1.130 122 L CA 1.145 55.688 54.840 -0.494 0.000 0.826 122 L CB -0.474 40.715 42.059 -1.450 0.000 0.941 122 L HN 0.393 nan 8.230 nan 0.000 0.451 123 H N -1.289 117.881 119.070 0.167 0.000 2.428 123 H HA -0.118 4.438 4.556 -0.000 0.000 0.296 123 H C 1.647 177.083 175.328 0.180 0.000 1.062 123 H CA 0.837 57.050 56.048 0.274 0.000 1.350 123 H CB 0.434 30.348 29.762 0.254 0.000 1.403 123 H HN 0.206 nan 8.280 nan 0.000 0.533 124 E N -0.321 120.042 120.200 0.271 0.000 2.489 124 E HA 0.047 4.397 4.350 -0.000 0.000 0.193 124 E C -0.411 176.408 176.600 0.365 0.000 1.057 124 E CA -0.120 56.445 56.400 0.276 0.000 0.866 124 E CB 0.356 30.223 29.700 0.280 0.000 0.916 124 E HN 0.282 nan 8.360 nan 0.000 0.500 125 C N 2.490 121.948 119.300 0.264 0.000 2.158 125 C HA 0.345 4.805 4.460 -0.000 0.000 0.350 125 C C -0.543 174.630 174.990 0.305 0.000 1.064 125 C CA -0.859 58.373 59.018 0.356 0.000 1.507 125 C CB -1.385 26.418 27.740 0.104 0.000 1.934 125 C HN 0.235 nan 8.230 nan 0.000 0.479 126 N N 2.270 121.165 118.700 0.324 0.000 2.461 126 N HA 0.469 5.209 4.740 -0.000 0.000 0.284 126 N C -1.038 174.287 175.510 -0.308 0.000 1.049 126 N CA 0.001 53.072 53.050 0.036 0.000 0.889 126 N CB 2.082 40.608 38.487 0.064 0.000 1.365 126 N HN 0.573 nan 8.380 nan 0.000 0.499 127 S N 1.645 117.090 115.700 -0.426 0.000 2.535 127 S HA 0.420 4.890 4.470 -0.000 0.000 0.272 127 S C -2.411 171.948 174.600 -0.401 0.000 1.149 127 S CA -1.008 56.839 58.200 -0.588 0.000 0.888 127 S CB 1.671 64.242 63.200 -1.048 0.000 1.110 127 S HN 0.237 nan 8.310 nan 0.000 0.463 128 P HA 0.047 nan 4.420 nan 0.000 0.242 128 P C -0.015 176.929 177.300 -0.593 0.000 1.198 128 P CA 0.842 63.599 63.100 -0.572 0.000 0.756 128 P CB -0.468 30.776 31.700 -0.761 0.000 0.911 129 Y N -1.111 119.107 120.300 -0.137 0.000 2.527 129 Y HA 0.277 4.827 4.550 -0.000 0.000 0.247 129 Y C 0.894 176.758 175.900 -0.062 0.000 1.138 129 Y CA -0.700 57.344 58.100 -0.093 0.000 1.228 129 Y CB 0.892 39.295 38.460 -0.096 0.000 1.252 129 Y HN -0.200 nan 8.280 nan 0.000 0.531 130 I N 1.179 121.759 120.570 0.016 0.000 2.466 130 I HA 0.230 4.400 4.170 -0.000 0.000 0.289 130 I C -0.084 176.086 176.117 0.088 0.000 1.026 130 I CA -1.262 60.073 61.300 0.057 0.000 1.078 130 I CB 1.519 39.511 38.000 -0.013 0.000 1.249 130 I HN -0.281 nan 8.210 nan 0.000 0.429 131 V N 5.180 125.193 119.914 0.165 0.000 2.694 131 V HA 0.140 4.260 4.120 -0.000 0.000 0.306 131 V C 1.409 177.573 176.094 0.117 0.000 1.054 131 V CA -0.060 62.318 62.300 0.129 0.000 1.161 131 V CB 0.336 32.247 31.823 0.146 0.000 0.916 131 V HN 0.966 nan 8.190 nan 0.000 0.490 132 G N 2.946 111.771 108.800 0.041 0.000 2.699 132 G HA2 0.309 4.269 3.960 -0.000 0.000 0.246 132 G HA3 0.309 4.269 3.960 -0.000 0.000 0.246 132 G C -0.922 173.984 174.900 0.010 0.000 1.219 132 G CA -0.111 44.972 45.100 -0.028 0.000 0.866 132 G HN 0.787 nan 8.290 nan 0.000 0.572 133 F N 0.832 120.628 119.950 -0.256 0.000 2.730 133 F HA 0.444 4.971 4.527 -0.000 0.000 0.335 133 F C -0.091 175.602 175.800 -0.179 0.000 1.212 133 F CA -1.086 56.804 58.000 -0.184 0.000 1.016 133 F CB 1.135 40.062 39.000 -0.123 0.000 1.290 133 F HN 0.425 nan 8.300 nan 0.000 0.495 134 Y N 4.125 124.152 120.300 -0.456 0.000 2.490 134 Y HA 0.512 5.062 4.550 -0.000 0.000 0.285 134 Y C 1.453 177.038 175.900 -0.525 0.000 1.117 134 Y CA 0.583 58.476 58.100 -0.344 0.000 1.262 134 Y CB 0.135 38.495 38.460 -0.168 0.000 1.043 134 Y HN 0.763 nan 8.280 nan 0.000 0.553 135 G N -0.859 107.249 108.800 -1.153 0.000 2.369 135 G HA2 0.476 4.436 3.960 -0.000 0.000 0.307 135 G HA3 0.476 4.436 3.960 -0.000 0.000 0.307 135 G C -1.929 172.809 174.900 -0.271 0.000 1.327 135 G CA -0.529 44.111 45.100 -0.768 0.000 0.963 135 G HN 0.375 nan 8.290 nan 0.000 0.590 136 A N -0.703 122.218 122.820 0.169 0.000 2.549 136 A HA 1.075 5.394 4.320 -0.000 0.000 0.297 136 A C -0.927 176.819 177.584 0.269 0.000 1.061 136 A CA -0.164 51.969 52.037 0.160 0.000 0.690 136 A CB 1.253 20.379 19.000 0.209 0.000 1.287 136 A HN 2.241 nan 8.150 nan 0.000 0.402 137 F N -0.981 119.015 119.950 0.076 0.000 2.645 137 F HA 0.710 5.237 4.527 -0.000 0.000 0.310 137 F C -0.790 175.055 175.800 0.074 0.000 1.102 137 F CA -1.497 56.549 58.000 0.076 0.000 0.952 137 F CB 0.853 39.853 39.000 0.000 0.000 1.326 137 F HN 0.712 nan 8.300 nan 0.000 0.456 138 Y N -0.270 120.154 120.300 0.207 0.000 2.336 138 Y HA 0.692 5.242 4.550 -0.000 0.000 0.335 138 Y C -0.304 175.703 175.900 0.178 0.000 1.046 138 Y CA -0.795 57.365 58.100 0.101 0.000 1.198 138 Y CB 1.473 39.973 38.460 0.066 0.000 1.182 138 Y HN 0.739 nan 8.280 nan 0.000 0.502 139 S N 4.401 120.153 115.700 0.087 0.000 2.461 139 S HA 0.238 4.708 4.470 -0.000 0.000 0.216 139 S C -1.505 173.118 174.600 0.039 0.000 1.201 139 S CA -0.793 57.441 58.200 0.057 0.000 1.171 139 S CB -0.439 62.851 63.200 0.150 0.000 1.169 139 S HN 0.869 nan 8.310 nan 0.000 0.456 140 D N 3.037 123.476 120.400 0.066 0.000 2.927 140 D HA -0.170 4.470 4.640 -0.000 0.000 0.236 140 D C 1.145 177.434 176.300 -0.018 0.000 1.163 140 D CA 1.619 55.645 54.000 0.044 0.000 0.801 140 D CB -1.552 39.268 40.800 0.034 0.000 0.975 140 D HN 1.102 nan 8.370 nan 0.000 0.413 141 G N 1.408 110.220 108.800 0.020 0.000 5.260 141 G HA2 -0.428 3.532 3.960 -0.000 0.000 0.276 141 G HA3 -0.428 3.532 3.960 -0.000 0.000 0.276 141 G C 0.185 175.014 174.900 -0.117 0.000 1.357 141 G CA 0.883 45.954 45.100 -0.048 0.000 1.008 141 G HN 0.827 nan 8.290 nan 0.000 0.777 142 E N 2.335 122.362 120.200 -0.288 0.000 2.614 142 E HA 0.326 4.676 4.350 -0.000 0.000 0.245 142 E C 0.798 177.297 176.600 -0.168 0.000 1.039 142 E CA 0.255 56.460 56.400 -0.324 0.000 0.948 142 E CB -0.051 29.343 29.700 -0.509 0.000 0.937 142 E HN 1.211 nan 8.360 nan 0.000 0.498 143 I N 0.379 120.864 120.570 -0.142 0.000 2.720 143 I HA 0.276 4.446 4.170 -0.000 0.000 0.287 143 I C -0.370 175.578 176.117 -0.280 0.000 1.090 143 I CA -0.188 61.014 61.300 -0.163 0.000 1.384 143 I CB 1.445 39.383 38.000 -0.103 0.000 1.420 143 I HN 0.266 nan 8.210 nan 0.000 0.575 144 S N 6.210 121.601 115.700 -0.515 0.000 2.733 144 S HA 0.554 5.024 4.470 -0.000 0.000 0.307 144 S C -0.326 173.913 174.600 -0.602 0.000 1.127 144 S CA -0.415 57.372 58.200 -0.690 0.000 1.097 144 S CB 0.460 62.945 63.200 -1.190 0.000 1.003 144 S HN 0.489 nan 8.310 nan 0.000 0.477 145 I N 2.731 123.133 120.570 -0.280 0.000 2.337 145 I HA 0.231 4.401 4.170 -0.000 0.000 0.291 145 I C -0.224 175.852 176.117 -0.069 0.000 1.046 145 I CA -0.279 60.973 61.300 -0.080 0.000 1.324 145 I CB 0.457 38.455 38.000 -0.003 0.000 1.409 145 I HN 0.483 nan 8.210 nan 0.000 0.494 146 C N 8.194 127.478 119.300 -0.028 0.000 2.307 146 C HA 0.649 5.109 4.460 -0.000 0.000 0.340 146 C C 0.336 175.440 174.990 0.190 0.000 1.275 146 C CA -0.638 58.405 59.018 0.042 0.000 1.811 146 C CB -0.070 27.725 27.740 0.091 0.000 2.372 146 C HN 0.785 nan 8.230 nan 0.000 0.531 147 M N 1.476 121.236 119.600 0.267 0.000 2.631 147 M HA 0.561 5.041 4.480 -0.000 0.000 0.288 147 M C -0.503 176.023 176.300 0.376 0.000 1.260 147 M CA -0.474 54.988 55.300 0.269 0.000 0.842 147 M CB 1.488 34.193 32.600 0.174 0.000 1.743 147 M HN 0.645 nan 8.290 nan 0.000 0.461 148 E N 2.401 122.728 120.200 0.211 0.000 2.493 148 E HA -0.086 4.264 4.350 -0.000 0.000 0.255 148 E C -0.872 175.878 176.600 0.250 0.000 0.999 148 E CA 0.044 56.595 56.400 0.252 0.000 0.934 148 E CB 0.390 30.124 29.700 0.058 0.000 0.940 148 E HN 0.709 nan 8.360 nan 0.000 0.473 149 H N 7.299 126.491 119.070 0.204 0.000 3.017 149 H HA 0.033 4.589 4.556 -0.000 0.000 0.276 149 H C -0.609 174.786 175.328 0.111 0.000 1.062 149 H CA -0.436 55.693 56.048 0.134 0.000 1.486 149 H CB 0.405 30.236 29.762 0.114 0.000 1.507 149 H HN 0.481 nan 8.280 nan 0.000 0.508 150 M N 6.073 125.499 119.600 -0.291 0.000 2.201 150 M HA -0.013 4.467 4.480 -0.000 0.000 0.345 150 M C 1.027 177.071 176.300 -0.425 0.000 1.352 150 M CA -0.356 54.787 55.300 -0.262 0.000 1.218 150 M CB 0.442 33.009 32.600 -0.056 0.000 1.512 150 M HN 0.701 nan 8.290 nan 0.000 0.447 151 D N 1.416 121.529 120.400 -0.478 0.000 2.378 151 D HA -0.083 4.557 4.640 -0.000 0.000 0.222 151 D C 1.295 177.552 176.300 -0.072 0.000 0.980 151 D CA 0.800 54.625 54.000 -0.292 0.000 0.907 151 D CB -0.027 40.725 40.800 -0.080 0.000 0.899 151 D HN 0.691 nan 8.370 nan 0.000 0.527 152 G N -0.577 108.195 108.800 -0.046 0.000 2.838 152 G HA2 0.391 4.351 3.960 -0.000 0.000 0.210 152 G HA3 0.391 4.351 3.960 -0.000 0.000 0.210 152 G C 0.958 175.873 174.900 0.025 0.000 1.153 152 G CA 0.261 45.365 45.100 0.007 0.000 0.778 152 G HN 0.703 nan 8.290 nan 0.000 0.539 153 G N 0.012 108.820 108.800 0.015 0.000 2.741 153 G HA2 0.022 3.982 3.960 -0.000 0.000 0.222 153 G HA3 0.022 3.982 3.960 -0.000 0.000 0.222 153 G C 0.284 175.222 174.900 0.065 0.000 1.364 153 G CA -0.137 44.987 45.100 0.041 0.000 0.866 153 G HN 1.287 nan 8.290 nan 0.000 0.555 154 S N -0.825 114.917 115.700 0.069 0.000 2.614 154 S HA 0.542 5.012 4.470 -0.000 0.000 0.265 154 S C 1.754 176.414 174.600 0.100 0.000 1.303 154 S CA -0.114 58.134 58.200 0.080 0.000 1.000 154 S CB 1.480 64.719 63.200 0.065 0.000 0.935 154 S HN 0.866 nan 8.310 nan 0.000 0.551 155 L N 0.214 121.505 121.223 0.113 0.000 2.201 155 L HA -0.118 4.222 4.340 -0.000 0.000 0.212 155 L C 2.123 179.069 176.870 0.127 0.000 1.105 155 L CA 1.365 56.291 54.840 0.144 0.000 0.775 155 L CB -0.599 41.545 42.059 0.142 0.000 0.913 155 L HN 0.773 nan 8.230 nan 0.000 0.440 156 D N -0.355 120.104 120.400 0.097 0.000 2.144 156 D HA -0.230 4.409 4.640 -0.000 0.000 0.199 156 D C 2.221 178.572 176.300 0.084 0.000 0.984 156 D CA 1.110 55.165 54.000 0.092 0.000 0.834 156 D CB 0.221 41.066 40.800 0.075 0.000 0.955 156 D HN 0.199 nan 8.370 nan 0.000 0.465 157 Q N -0.629 119.216 119.800 0.075 0.000 2.119 157 Q HA -0.083 4.257 4.340 -0.000 0.000 0.201 157 Q C 2.281 178.315 176.000 0.056 0.000 0.972 157 Q CA 1.286 57.124 55.803 0.059 0.000 0.847 157 Q CB 0.072 28.841 28.738 0.052 0.000 0.903 157 Q HN 0.380 nan 8.270 nan 0.000 0.433 158 V N -1.391 118.570 119.914 0.079 0.000 2.667 158 V HA -0.119 4.001 4.120 -0.000 0.000 0.252 158 V C 1.867 178.020 176.094 0.099 0.000 1.065 158 V CA 1.099 63.443 62.300 0.073 0.000 1.083 158 V CB -0.410 31.489 31.823 0.127 0.000 0.692 158 V HN 0.319 nan 8.190 nan 0.000 0.468 159 L N 0.738 122.036 121.223 0.124 0.000 2.201 159 L HA -0.023 4.317 4.340 -0.000 0.000 0.212 159 L C 2.485 179.406 176.870 0.085 0.000 1.105 159 L CA 1.808 56.724 54.840 0.127 0.000 0.775 159 L CB -0.873 41.263 42.059 0.130 0.000 0.913 159 L HN 0.333 nan 8.230 nan 0.000 0.440 160 K N -1.004 119.433 120.400 0.062 0.000 2.103 160 K HA -0.082 4.238 4.320 -0.000 0.000 0.204 160 K C 1.895 178.508 176.600 0.022 0.000 1.052 160 K CA 1.000 57.311 56.287 0.040 0.000 0.945 160 K CB -0.004 32.516 32.500 0.034 0.000 0.722 160 K HN 0.290 nan 8.250 nan 0.000 0.443 161 E N 0.666 120.870 120.200 0.008 0.000 2.122 161 E HA 0.041 4.391 4.350 -0.000 0.000 0.190 161 E C 0.610 177.191 176.600 -0.032 0.000 0.977 161 E CA 0.203 56.589 56.400 -0.024 0.000 0.820 161 E CB 0.225 29.892 29.700 -0.054 0.000 0.770 161 E HN 0.181 nan 8.360 nan 0.000 0.462 162 A N 1.934 124.747 122.820 -0.012 0.000 2.271 162 A HA 0.211 4.531 4.320 -0.000 0.000 0.288 162 A C 1.200 178.830 177.584 0.077 0.000 1.094 162 A CA -0.478 51.574 52.037 0.025 0.000 0.828 162 A CB 0.643 19.699 19.000 0.093 0.000 1.091 162 A HN -0.015 nan 8.150 nan 0.000 0.493 163 K N 0.465 120.925 120.400 0.101 0.000 1.996 163 K HA 0.006 4.326 4.320 -0.000 0.000 0.216 163 K C -0.107 176.560 176.600 0.112 0.000 1.022 163 K CA 0.541 56.880 56.287 0.087 0.000 1.007 163 K CB -0.526 32.026 32.500 0.086 0.000 0.946 163 K HN 0.717 nan 8.250 nan 0.000 0.447 164 R N 0.434 121.022 120.500 0.147 0.000 2.720 164 R HA 0.507 4.847 4.340 -0.000 0.000 0.272 164 R C -0.171 176.294 176.300 0.276 0.000 0.991 164 R CA -0.683 55.537 56.100 0.200 0.000 1.010 164 R CB 0.448 30.881 30.300 0.221 0.000 1.141 164 R HN 0.246 nan 8.270 nan 0.000 0.494 165 I N 2.970 123.708 120.570 0.279 0.000 2.441 165 I HA 0.219 4.389 4.170 -0.000 0.000 0.287 165 I C -1.751 174.479 176.117 0.189 0.000 1.049 165 I CA -2.119 59.335 61.300 0.257 0.000 1.381 165 I CB 1.030 39.146 38.000 0.193 0.000 1.409 165 I HN 0.415 nan 8.210 nan 0.000 0.523 166 P HA -0.015 nan 4.420 nan 0.000 0.268 166 P C 0.119 177.420 177.300 0.003 0.000 1.204 166 P CA -0.122 63.015 63.100 0.063 0.000 0.768 166 P CB 0.571 32.239 31.700 -0.053 0.000 0.842 167 E N 2.597 122.869 120.200 0.121 0.000 2.333 167 E HA -0.223 4.127 4.350 -0.000 0.000 0.198 167 E C 1.117 177.597 176.600 -0.201 0.000 1.007 167 E CA 1.084 57.477 56.400 -0.011 0.000 0.845 167 E CB -0.249 29.586 29.700 0.225 0.000 0.766 167 E HN 0.421 nan 8.360 nan 0.000 0.507 168 E N 1.154 121.266 120.200 -0.146 0.000 2.158 168 E HA -0.118 4.232 4.350 -0.000 0.000 0.191 168 E C 2.098 178.561 176.600 -0.228 0.000 0.982 168 E CA 0.554 56.843 56.400 -0.184 0.000 0.823 168 E CB -0.241 29.378 29.700 -0.135 0.000 0.766 168 E HN 0.374 nan 8.360 nan 0.000 0.468 169 I N 1.351 121.755 120.570 -0.278 0.000 2.439 169 I HA -0.113 4.057 4.170 -0.000 0.000 0.251 169 I C 2.520 178.527 176.117 -0.184 0.000 1.139 169 I CA 0.672 61.796 61.300 -0.295 0.000 1.438 169 I CB -0.649 36.909 38.000 -0.736 0.000 1.085 169 I HN 0.075 nan 8.210 nan 0.000 0.427 170 L N 0.369 121.491 121.223 -0.169 0.000 2.217 170 L HA -0.061 4.279 4.340 -0.000 0.000 0.211 170 L C 2.642 179.452 176.870 -0.101 0.000 1.107 170 L CA 1.089 55.882 54.840 -0.078 0.000 0.783 170 L CB -0.947 41.105 42.059 -0.011 0.000 0.919 170 L HN 0.250 nan 8.230 nan 0.000 0.442 171 G N -0.144 108.521 108.800 -0.225 0.000 2.446 171 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.217 171 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.217 171 G C 1.758 176.429 174.900 -0.381 0.000 1.168 171 G CA 0.442 45.262 45.100 -0.467 0.000 0.771 171 G HN 0.129 nan 8.290 nan 0.000 0.551 172 K N 0.073 120.299 120.400 -0.289 0.000 2.097 172 K HA 0.024 4.344 4.320 -0.000 0.000 0.205 172 K C 2.692 179.121 176.600 -0.286 0.000 1.050 172 K CA 0.715 56.833 56.287 -0.282 0.000 0.938 172 K CB -0.453 31.886 32.500 -0.268 0.000 0.718 172 K HN 0.254 nan 8.250 nan 0.000 0.442 173 V N 1.110 120.892 119.914 -0.222 0.000 2.295 173 V HA -0.231 3.889 4.120 -0.000 0.000 0.246 173 V C 2.193 178.225 176.094 -0.103 0.000 1.049 173 V CA 1.848 64.060 62.300 -0.147 0.000 1.024 173 V CB -0.394 31.410 31.823 -0.032 0.000 0.648 173 V HN 0.277 nan 8.190 nan 0.000 0.447 174 S N -0.320 115.340 115.700 -0.067 0.000 2.400 174 S HA -0.146 4.323 4.470 -0.000 0.000 0.232 174 S C 1.815 176.365 174.600 -0.083 0.000 1.025 174 S CA 1.552 59.757 58.200 0.009 0.000 0.993 174 S CB -0.356 62.894 63.200 0.083 0.000 0.808 174 S HN 0.485 nan 8.310 nan 0.000 0.478 175 I N 1.518 121.963 120.570 -0.208 0.000 2.163 175 I HA -0.199 3.971 4.170 -0.000 0.000 0.240 175 I C 2.588 178.480 176.117 -0.374 0.000 1.081 175 I CA 1.278 62.419 61.300 -0.264 0.000 1.353 175 I CB -0.391 37.438 38.000 -0.284 0.000 1.054 175 I HN 0.267 nan 8.210 nan 0.000 0.407 176 A N -0.089 122.487 122.820 -0.407 0.000 1.930 176 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 176 A C 2.371 179.779 177.584 -0.293 0.000 1.175 176 A CA 1.577 53.280 52.037 -0.557 0.000 0.627 176 A CB -0.865 17.993 19.000 -0.236 0.000 0.815 176 A HN 0.251 nan 8.150 nan 0.000 0.443 177 V N 0.109 119.940 119.914 -0.137 0.000 2.307 177 V HA -0.250 3.870 4.120 -0.000 0.000 0.245 177 V C 2.537 178.609 176.094 -0.037 0.000 1.045 177 V CA 1.890 64.163 62.300 -0.045 0.000 1.024 177 V CB -0.916 30.908 31.823 0.002 0.000 0.651 177 V HN 0.555 nan 8.190 nan 0.000 0.449 178 L N -0.630 120.570 121.223 -0.038 0.000 2.042 178 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 178 L C 2.847 179.684 176.870 -0.055 0.000 1.076 178 L CA 1.791 56.625 54.840 -0.009 0.000 0.749 178 L CB -0.517 41.562 42.059 0.033 0.000 0.893 178 L HN 0.225 nan 8.230 nan 0.000 0.432 179 R N -0.501 119.888 120.500 -0.186 0.000 2.062 179 R HA -0.070 4.269 4.340 -0.000 0.000 0.229 179 R C 2.375 178.659 176.300 -0.027 0.000 1.128 179 R CA 1.144 57.132 56.100 -0.187 0.000 0.960 179 R CB -0.635 29.358 30.300 -0.512 0.000 0.855 179 R HN 0.416 nan 8.270 nan 0.000 0.432 180 G N 1.215 109.984 108.800 -0.052 0.000 2.440 180 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.218 180 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.218 180 G C 1.258 176.221 174.900 0.105 0.000 1.154 180 G CA 0.396 45.557 45.100 0.102 0.000 0.767 180 G HN 0.063 nan 8.290 nan 0.000 0.552 181 L N 1.386 122.649 121.223 0.066 0.000 2.012 181 L HA 0.014 4.354 4.340 -0.000 0.000 0.210 181 L C 3.238 180.151 176.870 0.072 0.000 1.073 181 L CA 1.936 56.823 54.840 0.078 0.000 0.748 181 L CB -0.993 41.109 42.059 0.071 0.000 0.891 181 L HN 0.294 nan 8.230 nan 0.000 0.431 182 A N -2.243 120.619 122.820 0.070 0.000 2.015 182 A HA -0.253 4.067 4.320 -0.000 0.000 0.219 182 A C 2.244 179.876 177.584 0.080 0.000 1.163 182 A CA 1.378 53.453 52.037 0.063 0.000 0.646 182 A CB -0.878 18.155 19.000 0.054 0.000 0.806 182 A HN 0.541 nan 8.150 nan 0.000 0.448 183 Y N 0.797 121.100 120.300 0.006 0.000 2.109 183 Y HA -0.161 4.389 4.550 -0.000 0.000 0.285 183 Y C 1.859 177.763 175.900 0.007 0.000 1.131 183 Y CA 1.996 60.102 58.100 0.010 0.000 1.121 183 Y CB -0.475 38.006 38.460 0.035 0.000 0.987 183 Y HN 0.197 nan 8.280 nan 0.000 0.495 184 L N 0.055 121.230 121.223 -0.079 0.000 2.079 184 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 184 L C 2.743 179.552 176.870 -0.103 0.000 1.081 184 L CA 1.363 56.109 54.840 -0.155 0.000 0.752 184 L CB -0.710 41.247 42.059 -0.170 0.000 0.896 184 L HN 0.124 nan 8.230 nan 0.000 0.433 185 R N 0.504 120.974 120.500 -0.050 0.000 2.075 185 R HA -0.133 4.207 4.340 -0.000 0.000 0.232 185 R C 2.075 178.343 176.300 -0.053 0.000 1.126 185 R CA 1.730 57.818 56.100 -0.020 0.000 0.963 185 R CB -0.088 30.222 30.300 0.016 0.000 0.858 185 R HN 0.479 nan 8.270 nan 0.000 0.435 186 E N -0.647 119.498 120.200 -0.091 0.000 2.079 186 E HA 0.005 4.354 4.350 -0.000 0.000 0.191 186 E C 2.074 178.569 176.600 -0.174 0.000 0.961 186 E CA 0.328 56.671 56.400 -0.096 0.000 0.823 186 E CB 0.162 29.829 29.700 -0.055 0.000 0.789 186 E HN 0.037 nan 8.360 nan 0.000 0.459 187 K N 0.394 120.598 120.400 -0.327 0.000 2.001 187 K HA -0.006 4.314 4.320 -0.000 0.000 0.208 187 K C 1.188 177.442 176.600 -0.576 0.000 1.048 187 K CA 1.100 57.092 56.287 -0.491 0.000 0.932 187 K CB -0.290 31.762 32.500 -0.746 0.000 0.715 187 K HN 0.264 nan 8.250 nan 0.000 0.437 188 H N 0.046 118.928 119.070 -0.314 0.000 2.523 188 H HA 0.183 4.739 4.556 -0.000 0.000 0.317 188 H C 0.488 175.734 175.328 -0.136 0.000 1.511 188 H CA -0.144 55.792 56.048 -0.188 0.000 1.499 188 H CB 0.741 30.391 29.762 -0.187 0.000 1.742 188 H HN -0.050 nan 8.280 nan 0.000 0.750 189 Q N 0.371 120.204 119.800 0.054 0.000 2.159 189 Q HA 0.199 4.539 4.340 -0.000 0.000 0.217 189 Q C -0.170 175.844 176.000 0.024 0.000 0.818 189 Q CA -0.191 55.622 55.803 0.016 0.000 1.008 189 Q CB 0.019 28.764 28.738 0.011 0.000 1.148 189 Q HN 0.430 nan 8.270 nan 0.000 0.491 190 I N -1.617 118.968 120.570 0.025 0.000 2.612 190 I HA 0.413 4.583 4.170 -0.000 0.000 0.295 190 I C 0.119 176.254 176.117 0.030 0.000 1.011 190 I CA -0.877 60.436 61.300 0.022 0.000 1.326 190 I CB 0.658 38.666 38.000 0.012 0.000 1.427 190 I HN -0.073 nan 8.210 nan 0.000 0.537 191 M N 2.483 122.116 119.600 0.055 0.000 2.578 191 M HA 0.503 4.983 4.480 -0.000 0.000 0.321 191 M C -0.200 176.152 176.300 0.087 0.000 1.182 191 M CA -0.679 54.681 55.300 0.099 0.000 0.965 191 M CB 1.264 33.972 32.600 0.181 0.000 1.694 191 M HN 0.604 nan 8.290 nan 0.000 0.461 192 H N 1.727 120.842 119.070 0.074 0.000 2.852 192 H HA 0.225 4.781 4.556 -0.000 0.000 0.362 192 H C -0.193 175.073 175.328 -0.103 0.000 1.122 192 H CA 1.044 57.142 56.048 0.083 0.000 1.419 192 H CB 0.845 30.685 29.762 0.129 0.000 1.401 192 H HN 0.693 nan 8.280 nan 0.000 0.609 193 R N 1.684 122.206 120.500 0.036 0.000 2.600 193 R HA 0.103 4.443 4.340 -0.000 0.000 0.392 193 R C -0.478 175.806 176.300 -0.028 0.000 1.032 193 R CA -0.010 55.772 56.100 -0.530 0.000 1.139 193 R CB 0.854 30.774 30.300 -0.634 0.000 1.400 193 R HN 0.376 nan 8.270 nan 0.000 0.566 194 D N 0.517 121.103 120.400 0.309 0.000 3.671 194 D HA 0.055 4.694 4.640 -0.000 0.000 0.291 194 D C -1.093 175.166 176.300 -0.067 0.000 1.373 194 D CA -0.068 54.053 54.000 0.202 0.000 0.753 194 D CB 0.917 41.838 40.800 0.201 0.000 1.338 194 D HN -0.205 nan 8.370 nan 0.000 0.690 195 V N 2.914 122.694 119.914 -0.223 0.000 2.470 195 V HA 0.373 4.493 4.120 -0.000 0.000 0.276 195 V C 0.325 176.253 176.094 -0.277 0.000 1.040 195 V CA 0.444 62.523 62.300 -0.368 0.000 1.008 195 V CB 0.622 32.309 31.823 -0.227 0.000 0.990 195 V HN 0.329 nan 8.190 nan 0.000 0.477 196 K N 3.961 124.149 120.400 -0.354 0.000 2.639 196 K HA 0.390 4.710 4.320 -0.000 0.000 0.279 196 K C -2.997 173.406 176.600 -0.328 0.000 0.976 196 K CA -1.589 54.322 56.287 -0.626 0.000 0.861 196 K CB 1.370 33.173 32.500 -1.162 0.000 1.436 196 K HN 0.083 nan 8.250 nan 0.000 0.400 197 P HA -0.320 nan 4.420 nan 0.000 0.220 197 P C 1.311 178.601 177.300 -0.017 0.000 1.155 197 P CA 2.433 65.505 63.100 -0.046 0.000 0.880 197 P CB -0.011 31.713 31.700 0.040 0.000 0.790 198 S N -2.465 113.211 115.700 -0.040 0.000 2.547 198 S HA -0.057 4.413 4.470 -0.000 0.000 0.235 198 S C 1.345 175.956 174.600 0.017 0.000 0.980 198 S CA 0.996 59.199 58.200 0.005 0.000 0.941 198 S CB -1.227 61.978 63.200 0.008 0.000 0.763 198 S HN 0.270 nan 8.310 nan 0.000 0.532 199 N N 0.077 118.778 118.700 0.001 0.000 2.184 199 N HA 0.387 5.127 4.740 -0.000 0.000 0.206 199 N C -0.825 174.738 175.510 0.088 0.000 1.151 199 N CA -0.124 52.962 53.050 0.060 0.000 0.878 199 N CB 0.586 39.119 38.487 0.076 0.000 1.014 199 N HN 0.394 nan 8.380 nan 0.000 0.512 200 I N 2.071 122.675 120.570 0.056 0.000 2.337 200 I HA 0.219 4.389 4.170 -0.000 0.000 0.285 200 I C -1.002 175.174 176.117 0.098 0.000 1.041 200 I CA -0.631 60.715 61.300 0.076 0.000 1.199 200 I CB 0.700 38.730 38.000 0.051 0.000 1.370 200 I HN -0.151 nan 8.210 nan 0.000 0.470 201 L N 7.668 128.956 121.223 0.109 0.000 2.307 201 L HA 0.537 4.877 4.340 -0.000 0.000 0.282 201 L C 0.195 177.139 176.870 0.124 0.000 1.051 201 L CA -0.412 54.492 54.840 0.106 0.000 0.804 201 L CB 1.654 43.768 42.059 0.092 0.000 1.197 201 L HN 0.380 nan 8.230 nan 0.000 0.431 202 V N 0.782 120.783 119.914 0.146 0.000 3.113 202 V HA 0.942 5.062 4.120 -0.000 0.000 0.316 202 V C -0.707 175.474 176.094 0.145 0.000 1.125 202 V CA -0.711 61.718 62.300 0.214 0.000 1.026 202 V CB 2.162 34.208 31.823 0.371 0.000 1.080 202 V HN 0.955 nan 8.190 nan 0.000 0.444 203 N N -0.434 118.374 118.700 0.180 0.000 2.610 203 N HA 0.347 5.087 4.740 -0.000 0.000 0.264 203 N C 0.409 175.983 175.510 0.107 0.000 1.348 203 N CA -0.154 52.952 53.050 0.094 0.000 0.819 203 N CB 1.226 39.742 38.487 0.048 0.000 1.521 203 N HN 0.827 nan 8.380 nan 0.000 0.497 204 S N -0.049 115.682 115.700 0.052 0.000 2.442 204 S HA -0.113 4.357 4.470 -0.000 0.000 0.236 204 S C 1.374 176.011 174.600 0.063 0.000 1.007 204 S CA 0.614 58.837 58.200 0.040 0.000 0.965 204 S CB -0.384 62.829 63.200 0.022 0.000 0.773 204 S HN 0.616 nan 8.310 nan 0.000 0.504 205 R N 0.959 121.504 120.500 0.075 0.000 2.237 205 R HA 0.134 4.474 4.340 -0.000 0.000 0.219 205 R C 1.583 177.959 176.300 0.127 0.000 1.080 205 R CA 0.607 56.754 56.100 0.079 0.000 0.995 205 R CB -0.443 29.892 30.300 0.059 0.000 0.875 205 R HN 0.660 nan 8.270 nan 0.000 0.462 206 G N 0.874 109.798 108.800 0.206 0.000 2.134 206 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.209 206 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.209 206 G C -0.450 174.647 174.900 0.329 0.000 0.993 206 G CA -0.313 45.029 45.100 0.403 0.000 0.669 206 G HN 0.360 nan 8.290 nan 0.000 0.519 207 E N -0.320 119.997 120.200 0.196 0.000 2.301 207 E HA 0.594 4.944 4.350 -0.000 0.000 0.275 207 E C 0.027 176.673 176.600 0.076 0.000 1.030 207 E CA -0.400 56.046 56.400 0.077 0.000 0.852 207 E CB 1.483 31.203 29.700 0.034 0.000 1.060 207 E HN 0.360 nan 8.360 nan 0.000 0.401 208 I N 2.740 123.310 120.570 0.001 0.000 2.382 208 I HA 0.287 4.457 4.170 -0.000 0.000 0.286 208 I C -0.077 176.105 176.117 0.109 0.000 1.002 208 I CA -0.402 60.907 61.300 0.016 0.000 1.135 208 I CB 1.109 39.025 38.000 -0.140 0.000 1.288 208 I HN 0.294 nan 8.210 nan 0.000 0.448 209 K N 5.665 126.131 120.400 0.109 0.000 2.349 209 K HA 0.779 5.099 4.320 -0.000 0.000 0.243 209 K C -1.357 175.333 176.600 0.150 0.000 1.058 209 K CA -0.806 55.559 56.287 0.130 0.000 0.871 209 K CB 2.545 35.105 32.500 0.100 0.000 1.337 209 K HN 0.369 nan 8.250 nan 0.000 0.469 210 L N 1.330 122.668 121.223 0.192 0.000 2.408 210 L HA 0.597 4.937 4.340 -0.000 0.000 0.268 210 L C -0.688 176.431 176.870 0.416 0.000 0.986 210 L CA -0.816 54.194 54.840 0.284 0.000 0.820 210 L CB 1.663 43.890 42.059 0.280 0.000 1.303 210 L HN 0.898 nan 8.230 nan 0.000 0.411 211 C N -1.267 118.283 119.300 0.417 0.000 3.308 211 C HA 0.599 5.059 4.460 -0.000 0.000 0.360 211 C C -0.051 174.991 174.990 0.088 0.000 1.695 211 C CA -0.595 58.574 59.018 0.253 0.000 1.366 211 C CB 1.931 29.730 27.740 0.098 0.000 2.121 211 C HN 0.946 nan 8.230 nan 0.000 0.442 212 D N -0.021 120.217 120.400 -0.270 0.000 2.983 212 D HA -0.166 4.474 4.640 -0.000 0.000 0.225 212 D C -0.182 175.884 176.300 -0.390 0.000 1.174 212 D CA 1.733 55.573 54.000 -0.266 0.000 0.831 212 D CB -1.728 39.051 40.800 -0.035 0.000 1.104 212 D HN 0.796 nan 8.370 nan 0.000 0.421 213 F N -0.622 118.998 119.950 -0.550 0.000 2.410 213 F HA 0.567 5.094 4.527 -0.000 0.000 0.334 213 F C 1.406 176.987 175.800 -0.365 0.000 1.134 213 F CA -0.974 56.561 58.000 -0.774 0.000 1.227 213 F CB 0.708 39.238 39.000 -0.783 0.000 1.194 213 F HN -0.134 nan 8.300 nan 0.000 0.571 214 G N 2.001 110.727 108.800 -0.124 0.000 2.716 214 G HA2 0.387 4.347 3.960 -0.000 0.000 0.296 214 G HA3 0.387 4.347 3.960 -0.000 0.000 0.296 214 G C 0.585 175.453 174.900 -0.053 0.000 0.811 214 G CA -0.339 44.689 45.100 -0.120 0.000 1.758 214 G HN 0.726 nan 8.290 nan 0.000 0.512 215 V N 1.751 121.600 119.914 -0.108 0.000 2.323 215 V HA -0.024 4.096 4.120 -0.000 0.000 0.244 215 V C 1.792 177.826 176.094 -0.100 0.000 1.041 215 V CA 1.461 63.709 62.300 -0.086 0.000 1.025 215 V CB -0.674 31.037 31.823 -0.185 0.000 0.656 215 V HN 0.582 nan 8.190 nan 0.000 0.451 216 S N 0.726 116.353 115.700 -0.122 0.000 2.452 216 S HA 0.505 4.975 4.470 -0.000 0.000 0.284 216 S C 1.280 175.841 174.600 -0.065 0.000 1.171 216 S CA -0.033 58.114 58.200 -0.088 0.000 1.064 216 S CB 1.151 64.295 63.200 -0.094 0.000 0.967 216 S HN 0.468 nan 8.310 nan 0.000 0.484 217 G N 3.406 112.181 108.800 -0.043 0.000 2.418 217 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.217 217 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.217 217 G C 1.251 176.135 174.900 -0.027 0.000 1.158 217 G CA 0.898 45.981 45.100 -0.028 0.000 0.771 217 G HN 0.671 nan 8.290 nan 0.000 0.545 218 Q N 0.105 119.887 119.800 -0.030 0.000 2.096 218 Q HA 0.048 4.388 4.340 -0.000 0.000 0.204 218 Q C 2.449 178.430 176.000 -0.032 0.000 0.982 218 Q CA 1.047 56.834 55.803 -0.026 0.000 0.850 218 Q CB -0.593 28.129 28.738 -0.026 0.000 0.901 218 Q HN 0.501 nan 8.270 nan 0.000 0.422 219 L N -0.670 120.525 121.223 -0.046 0.000 2.083 219 L HA -0.170 4.170 4.340 -0.000 0.000 0.209 219 L C 2.009 178.851 176.870 -0.048 0.000 1.083 219 L CA 0.832 55.639 54.840 -0.054 0.000 0.752 219 L CB -0.145 41.865 42.059 -0.081 0.000 0.899 219 L HN 0.296 nan 8.230 nan 0.000 0.433 220 I N -0.343 120.199 120.570 -0.047 0.000 2.163 220 I HA -0.327 3.843 4.170 -0.000 0.000 0.240 220 I C 2.019 178.128 176.117 -0.013 0.000 1.081 220 I CA 1.513 62.792 61.300 -0.035 0.000 1.353 220 I CB -0.359 37.619 38.000 -0.037 0.000 1.054 220 I HN 0.217 nan 8.210 nan 0.000 0.407 221 D N -0.018 120.379 120.400 -0.004 0.000 2.311 221 D HA -0.132 4.508 4.640 -0.000 0.000 0.212 221 D C 2.167 178.467 176.300 0.000 0.000 0.972 221 D CA 1.065 55.069 54.000 0.006 0.000 0.887 221 D CB 0.071 40.875 40.800 0.006 0.000 0.915 221 D HN 0.257 nan 8.370 nan 0.000 0.497 222 S N -0.384 115.311 115.700 -0.009 0.000 2.458 222 S HA 0.044 4.514 4.470 -0.000 0.000 0.223 222 S C 1.033 175.630 174.600 -0.005 0.000 1.019 222 S CA 0.445 58.639 58.200 -0.009 0.000 0.937 222 S CB 0.363 63.552 63.200 -0.018 0.000 0.788 222 S HN 0.247 nan 8.310 nan 0.000 0.511 229 G N 1.071 109.879 108.800 0.014 0.000 4.126 229 G HA2 0.449 4.409 3.960 -0.000 0.000 0.282 229 G HA3 0.449 4.409 3.960 -0.000 0.000 0.282 229 G C 0.674 175.558 174.900 -0.027 0.000 1.221 229 G CA 0.439 45.541 45.100 0.003 0.000 1.527 229 G HN 1.014 nan 8.290 nan 0.000 0.612 230 T N -0.015 114.510 114.554 -0.047 0.000 2.821 230 T HA -0.010 4.340 4.350 -0.000 0.000 0.267 230 T C 0.987 175.578 174.700 -0.181 0.000 1.046 230 T CA 0.707 62.757 62.100 -0.083 0.000 1.139 230 T CB -0.126 68.700 68.868 -0.070 0.000 0.871 230 T HN 0.708 nan 8.240 nan 0.000 0.454 231 R N -0.348 119.993 120.500 -0.265 0.000 2.937 231 R HA 0.535 4.875 4.340 -0.000 0.000 0.273 231 R C -1.565 174.442 176.300 -0.488 0.000 1.176 231 R CA -0.390 55.356 56.100 -0.589 0.000 1.132 231 R CB 0.632 30.162 30.300 -1.283 0.000 1.270 231 R HN -0.044 nan 8.270 nan 0.000 0.425 232 S N 1.647 117.208 115.700 -0.232 0.000 2.616 232 S HA 0.442 4.912 4.470 -0.000 0.000 0.277 232 S C -0.498 174.080 174.600 -0.037 0.000 1.234 232 S CA -0.488 57.693 58.200 -0.031 0.000 1.028 232 S CB 0.447 63.689 63.200 0.069 0.000 0.988 232 S HN 0.626 nan 8.310 nan 0.000 0.522 233 Y N 1.545 121.982 120.300 0.228 0.000 2.612 233 Y HA 0.378 4.928 4.550 -0.000 0.000 0.250 233 Y C 0.553 176.640 175.900 0.311 0.000 1.175 233 Y CA -0.363 57.914 58.100 0.296 0.000 1.205 233 Y CB 0.178 38.770 38.460 0.220 0.000 1.201 233 Y HN 0.391 nan 8.280 nan 0.000 0.532 234 M N 0.992 120.778 119.600 0.309 0.000 2.233 234 M HA 0.393 4.873 4.480 -0.000 0.000 0.350 234 M C 0.504 176.760 176.300 -0.072 0.000 1.176 234 M CA -0.392 54.999 55.300 0.152 0.000 1.150 234 M CB 0.796 33.448 32.600 0.087 0.000 1.530 234 M HN 0.255 nan 8.290 nan 0.000 0.459 235 A N 4.918 127.534 122.820 -0.341 0.000 2.407 235 A HA 0.329 4.649 4.320 -0.000 0.000 0.248 235 A C -1.764 175.374 177.584 -0.744 0.000 1.082 235 A CA -1.368 50.065 52.037 -1.007 0.000 0.785 235 A CB -0.344 18.216 19.000 -0.734 0.000 1.020 235 A HN 0.612 nan 8.150 nan 0.000 0.489 236 P HA -0.249 nan 4.420 nan 0.000 0.216 236 P C 1.286 178.377 177.300 -0.347 0.000 1.157 236 P CA 1.893 64.674 63.100 -0.531 0.000 0.880 236 P CB 0.069 31.442 31.700 -0.546 0.000 0.791 237 E N -0.478 119.509 120.200 -0.354 0.000 2.274 237 E HA -0.167 4.183 4.350 -0.000 0.000 0.194 237 E C 2.037 178.527 176.600 -0.185 0.000 0.996 237 E CA 0.813 57.077 56.400 -0.227 0.000 0.840 237 E CB -0.588 28.991 29.700 -0.203 0.000 0.772 237 E HN 0.104 nan 8.360 nan 0.000 0.491 238 R N 0.950 121.315 120.500 -0.224 0.000 2.062 238 R HA 0.081 4.421 4.340 -0.000 0.000 0.229 238 R C 2.660 178.898 176.300 -0.103 0.000 1.128 238 R CA 0.736 56.740 56.100 -0.160 0.000 0.960 238 R CB -0.577 29.619 30.300 -0.174 0.000 0.855 238 R HN 0.272 nan 8.270 nan 0.000 0.432 239 L N 0.859 122.013 121.223 -0.115 0.000 2.081 239 L HA -0.205 4.135 4.340 -0.000 0.000 0.212 239 L C 1.915 178.755 176.870 -0.050 0.000 1.080 239 L CA 1.492 56.291 54.840 -0.068 0.000 0.754 239 L CB -0.367 41.643 42.059 -0.081 0.000 0.893 239 L HN 0.178 nan 8.230 nan 0.000 0.433 240 Q N -0.073 119.683 119.800 -0.072 0.000 2.344 240 Q HA 0.082 4.421 4.340 -0.000 0.000 0.212 240 Q C 1.378 177.360 176.000 -0.030 0.000 0.943 240 Q CA 0.475 56.249 55.803 -0.048 0.000 0.955 240 Q CB 0.107 28.806 28.738 -0.065 0.000 1.000 240 Q HN 0.582 nan 8.270 nan 0.000 0.488 241 G N 1.286 110.071 108.800 -0.024 0.000 2.189 241 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.267 241 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.267 241 G C 0.407 175.318 174.900 0.019 0.000 0.975 241 G CA 0.664 45.765 45.100 0.002 0.000 0.644 241 G HN 0.490 nan 8.290 nan 0.000 0.537 242 T N -1.231 113.320 114.554 -0.004 0.000 2.832 242 T HA 0.470 4.820 4.350 -0.000 0.000 0.296 242 T C 0.489 175.213 174.700 0.040 0.000 0.968 242 T CA -0.383 61.729 62.100 0.020 0.000 1.107 242 T CB 1.088 69.948 68.868 -0.014 0.000 0.916 242 T HN 0.321 nan 8.240 nan 0.000 0.517 243 H N 2.402 121.482 119.070 0.017 0.000 2.836 243 H HA 0.054 4.610 4.556 -0.000 0.000 0.368 243 H C -0.278 175.098 175.328 0.080 0.000 1.164 243 H CA 0.154 56.237 56.048 0.059 0.000 1.425 243 H CB 0.317 30.116 29.762 0.062 0.000 1.414 243 H HN 0.794 nan 8.280 nan 0.000 0.614 244 Y N 1.857 122.074 120.300 -0.139 0.000 2.620 244 Y HA -0.068 4.482 4.550 -0.000 0.000 0.330 244 Y C 0.574 176.510 175.900 0.061 0.000 1.186 244 Y CA 0.801 58.871 58.100 -0.050 0.000 1.467 244 Y CB 0.360 38.765 38.460 -0.091 0.000 1.262 244 Y HN 0.402 nan 8.280 nan 0.000 0.550 245 S N 2.764 118.447 115.700 -0.029 0.000 2.798 245 S HA 0.384 4.854 4.470 -0.000 0.000 0.312 245 S C 0.774 175.411 174.600 0.062 0.000 1.122 245 S CA -0.301 57.924 58.200 0.042 0.000 0.949 245 S CB 0.773 63.953 63.200 -0.032 0.000 1.235 245 S HN 0.573 nan 8.310 nan 0.000 0.552 246 V N 2.142 122.099 119.914 0.071 0.000 2.343 246 V HA -0.134 3.986 4.120 -0.000 0.000 0.247 246 V C 2.477 178.586 176.094 0.025 0.000 1.051 246 V CA 1.573 63.921 62.300 0.079 0.000 1.036 246 V CB -1.283 30.575 31.823 0.059 0.000 0.654 246 V HN 0.816 nan 8.190 nan 0.000 0.451 247 Q N 0.788 120.576 119.800 -0.020 0.000 2.234 247 Q HA -0.136 4.204 4.340 -0.000 0.000 0.206 247 Q C 2.353 178.318 176.000 -0.058 0.000 0.980 247 Q CA 1.783 57.568 55.803 -0.030 0.000 0.869 247 Q CB -0.846 27.870 28.738 -0.038 0.000 0.912 247 Q HN 0.648 nan 8.270 nan 0.000 0.436 248 S N 1.516 117.088 115.700 -0.214 0.000 2.368 248 S HA -0.105 4.365 4.470 -0.000 0.000 0.224 248 S C 1.454 175.969 174.600 -0.142 0.000 1.029 248 S CA 1.076 59.036 58.200 -0.400 0.000 0.988 248 S CB -0.094 62.397 63.200 -1.181 0.000 0.838 248 S HN 0.355 nan 8.310 nan 0.000 0.462 249 D N 1.528 121.933 120.400 0.008 0.000 2.117 249 D HA -0.044 4.596 4.640 -0.000 0.000 0.197 249 D C 1.898 178.260 176.300 0.104 0.000 0.987 249 D CA 0.809 54.916 54.000 0.179 0.000 0.829 249 D CB -0.266 40.675 40.800 0.234 0.000 0.961 249 D HN 0.333 nan 8.370 nan 0.000 0.460 250 I N 0.455 121.065 120.570 0.068 0.000 2.208 250 I HA -0.240 3.930 4.170 -0.000 0.000 0.245 250 I C 2.541 178.682 176.117 0.039 0.000 1.097 250 I CA 0.936 62.251 61.300 0.025 0.000 1.363 250 I CB -0.426 37.571 38.000 -0.005 0.000 1.051 250 I HN 0.253 nan 8.210 nan 0.000 0.413 251 W N 2.091 123.340 121.300 -0.085 0.000 2.355 251 W HA -0.188 4.472 4.660 -0.000 0.000 0.309 251 W C 2.541 179.051 176.519 -0.014 0.000 1.206 251 W CA 1.598 58.900 57.345 -0.072 0.000 1.284 251 W CB -0.454 28.956 29.460 -0.082 0.000 1.145 251 W HN 0.044 nan 8.180 nan 0.000 0.502 252 S N 0.943 116.817 115.700 0.291 0.000 2.400 252 S HA -0.256 4.213 4.470 -0.000 0.000 0.232 252 S C 1.898 176.538 174.600 0.065 0.000 1.025 252 S CA 1.770 60.112 58.200 0.238 0.000 0.993 252 S CB -0.534 62.803 63.200 0.228 0.000 0.808 252 S HN 0.352 nan 8.310 nan 0.000 0.478 253 M N 0.947 120.552 119.600 0.008 0.000 2.099 253 M HA -0.061 4.419 4.480 -0.000 0.000 0.262 253 M C 2.161 178.422 176.300 -0.065 0.000 1.067 253 M CA 1.647 56.935 55.300 -0.019 0.000 1.124 253 M CB -0.785 31.815 32.600 -0.001 0.000 1.353 253 M HN 0.417 nan 8.290 nan 0.000 0.410 254 G N 0.841 109.536 108.800 -0.176 0.000 2.545 254 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.217 254 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.217 254 G C 1.304 176.027 174.900 -0.295 0.000 1.218 254 G CA 1.107 46.032 45.100 -0.291 0.000 0.787 254 G HN 0.427 nan 8.290 nan 0.000 0.571 255 L N 0.875 121.869 121.223 -0.381 0.000 2.051 255 L HA -0.152 4.188 4.340 -0.000 0.000 0.214 255 L C 3.188 180.046 176.870 -0.019 0.000 1.076 255 L CA 2.242 56.929 54.840 -0.254 0.000 0.758 255 L CB -0.387 41.552 42.059 -0.200 0.000 0.890 255 L HN 0.223 nan 8.230 nan 0.000 0.433 256 S N -0.812 114.932 115.700 0.074 0.000 2.370 256 S HA -0.186 4.284 4.470 -0.000 0.000 0.226 256 S C 1.879 176.514 174.600 0.059 0.000 1.033 256 S CA 1.555 59.821 58.200 0.110 0.000 1.011 256 S CB -0.392 62.825 63.200 0.029 0.000 0.852 256 S HN 0.368 nan 8.310 nan 0.000 0.457 257 L N 0.960 122.189 121.223 0.010 0.000 1.994 257 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 257 L C 2.382 179.216 176.870 -0.060 0.000 1.071 257 L CA 1.050 55.906 54.840 0.026 0.000 0.745 257 L CB -0.814 41.279 42.059 0.056 0.000 0.892 257 L HN 0.197 nan 8.230 nan 0.000 0.431 258 V N -0.020 119.791 119.914 -0.172 0.000 2.380 258 V HA -0.335 3.785 4.120 -0.000 0.000 0.251 258 V C 2.453 178.490 176.094 -0.095 0.000 1.063 258 V CA 2.073 64.241 62.300 -0.219 0.000 1.055 258 V CB -0.588 31.074 31.823 -0.268 0.000 0.657 258 V HN 0.515 nan 8.190 nan 0.000 0.455 259 E N 0.191 120.375 120.200 -0.027 0.000 2.031 259 E HA -0.224 4.125 4.350 -0.000 0.000 0.193 259 E C 2.176 178.828 176.600 0.086 0.000 0.994 259 E CA 1.576 58.009 56.400 0.055 0.000 0.800 259 E CB -0.168 29.632 29.700 0.166 0.000 0.752 259 E HN 0.581 nan 8.360 nan 0.000 0.447 260 L N 0.309 121.590 121.223 0.098 0.000 2.201 260 L HA -0.102 4.238 4.340 -0.000 0.000 0.212 260 L C 2.553 179.511 176.870 0.146 0.000 1.105 260 L CA 0.860 55.778 54.840 0.130 0.000 0.775 260 L CB -0.336 41.806 42.059 0.139 0.000 0.913 260 L HN 0.214 nan 8.230 nan 0.000 0.440 261 A N -0.536 122.342 122.820 0.097 0.000 1.898 261 A HA -0.089 4.231 4.320 -0.000 0.000 0.216 261 A C 2.228 179.989 177.584 0.295 0.000 1.181 261 A CA 1.662 53.766 52.037 0.112 0.000 0.620 261 A CB -0.496 18.338 19.000 -0.277 0.000 0.819 261 A HN 0.190 nan 8.150 nan 0.000 0.442 262 V N -1.720 118.306 119.914 0.186 0.000 3.174 262 V HA 0.316 4.436 4.120 -0.000 0.000 0.254 262 V C 1.874 178.009 176.094 0.069 0.000 1.120 262 V CA 1.159 63.581 62.300 0.203 0.000 1.114 262 V CB -0.118 31.790 31.823 0.141 0.000 0.756 262 V HN 1.065 nan 8.190 nan 0.000 0.467 263 G N 1.514 110.364 108.800 0.083 0.000 2.195 263 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.224 263 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.224 263 G C 0.324 175.258 174.900 0.057 0.000 0.990 263 G CA 0.205 45.342 45.100 0.061 0.000 0.639 263 G HN 0.752 nan 8.290 nan 0.000 0.514 264 R N -1.765 118.769 120.500 0.057 0.000 2.734 264 R HA 0.615 4.955 4.340 -0.000 0.000 0.271 264 R C -0.354 176.004 176.300 0.096 0.000 1.021 264 R CA -1.102 55.045 56.100 0.077 0.000 0.893 264 R CB 0.719 31.047 30.300 0.046 0.000 1.244 264 R HN 0.427 nan 8.270 nan 0.000 0.464 265 Y N 3.007 123.304 120.300 -0.006 0.000 2.729 265 Y HA 0.120 4.670 4.550 -0.000 0.000 0.331 265 Y C -1.846 174.013 175.900 -0.068 0.000 1.208 265 Y CA -1.137 56.937 58.100 -0.044 0.000 1.521 265 Y CB 0.957 39.372 38.460 -0.075 0.000 1.233 265 Y HN 0.548 nan 8.280 nan 0.000 0.539 266 P HA -0.050 nan 4.420 nan 0.000 0.251 266 P C 1.419 178.449 177.300 -0.449 0.000 1.223 266 P CA 0.524 63.402 63.100 -0.370 0.000 0.796 266 P CB 0.377 31.896 31.700 -0.302 0.000 1.068 267 I N 0.331 120.436 120.570 -0.774 0.000 2.226 267 I HA -0.061 4.109 4.170 -0.000 0.000 0.245 267 I C -1.304 174.533 176.117 -0.467 0.000 1.100 267 I CA 0.515 61.507 61.300 -0.514 0.000 1.374 267 I CB -2.441 35.289 38.000 -0.449 0.000 1.057 267 I HN -0.015 nan 8.210 nan 0.000 0.413 268 P HA 0.183 nan 4.420 nan 0.000 0.277 268 P C -2.434 174.726 177.300 -0.233 0.000 1.354 268 P CA -1.343 61.537 63.100 -0.367 0.000 0.891 268 P CB 0.024 31.600 31.700 -0.207 0.000 1.058 269 P HA 0.152 nan 4.420 nan 0.000 0.275 269 P C -2.240 175.025 177.300 -0.057 0.000 1.227 269 P CA -1.552 61.488 63.100 -0.099 0.000 0.781 269 P CB -0.715 30.967 31.700 -0.031 0.000 0.906 270 P HA 0.031 nan 4.420 nan 0.000 0.271 270 P C -0.369 176.936 177.300 0.008 0.000 1.233 270 P CA 0.178 63.273 63.100 -0.009 0.000 0.764 270 P CB 0.481 32.187 31.700 0.010 0.000 0.825 271 D N 2.577 122.981 120.400 0.006 0.000 2.339 271 D HA 0.058 4.698 4.640 -0.000 0.000 0.245 271 D C 1.162 177.476 176.300 0.023 0.000 1.115 271 D CA -0.352 53.657 54.000 0.014 0.000 0.917 271 D CB 1.448 42.254 40.800 0.009 0.000 1.192 271 D HN 0.267 nan 8.370 nan 0.000 0.428 272 A N 3.333 126.169 122.820 0.026 0.000 1.929 272 A HA -0.332 3.988 4.320 -0.000 0.000 0.221 272 A C 2.147 179.751 177.584 0.033 0.000 1.211 272 A CA 2.681 54.738 52.037 0.033 0.000 0.657 272 A CB -0.862 18.154 19.000 0.025 0.000 0.827 272 A HN 0.818 nan 8.150 nan 0.000 0.462 273 K N -0.623 119.791 120.400 0.022 0.000 2.032 273 K HA -0.227 4.093 4.320 -0.000 0.000 0.209 273 K C 2.150 178.760 176.600 0.016 0.000 1.048 273 K CA 1.897 58.195 56.287 0.018 0.000 0.927 273 K CB -0.206 32.300 32.500 0.011 0.000 0.712 273 K HN 0.657 nan 8.250 nan 0.000 0.441 274 E N 0.236 120.443 120.200 0.012 0.000 2.106 274 E HA -0.166 4.184 4.350 -0.000 0.000 0.192 274 E C 1.983 178.585 176.600 0.004 0.000 0.984 274 E CA 0.889 57.290 56.400 0.001 0.000 0.806 274 E CB 0.018 29.714 29.700 -0.005 0.000 0.750 274 E HN 0.325 nan 8.360 nan 0.000 0.458 275 L N 0.607 121.856 121.223 0.043 0.000 2.141 275 L HA -0.143 4.196 4.340 -0.000 0.000 0.209 275 L C 2.485 179.427 176.870 0.121 0.000 1.094 275 L CA 1.095 55.999 54.840 0.107 0.000 0.763 275 L CB -0.250 41.910 42.059 0.169 0.000 0.908 275 L HN 0.160 nan 8.230 nan 0.000 0.437 276 E N 0.189 120.435 120.200 0.077 0.000 2.204 276 E HA -0.195 4.155 4.350 -0.000 0.000 0.195 276 E C 2.075 178.695 176.600 0.035 0.000 0.990 276 E CA 0.909 57.349 56.400 0.068 0.000 0.821 276 E CB 0.073 29.799 29.700 0.043 0.000 0.750 276 E HN 0.492 nan 8.360 nan 0.000 0.477 277 A N -0.101 122.718 122.820 -0.002 0.000 2.178 277 A HA 0.065 4.385 4.320 -0.000 0.000 0.211 277 A C 1.777 179.306 177.584 -0.092 0.000 1.157 277 A CA 0.226 52.244 52.037 -0.032 0.000 0.780 277 A CB -0.043 18.939 19.000 -0.031 0.000 0.828 277 A HN 0.206 nan 8.150 nan 0.000 0.476 278 I N -1.787 118.678 120.570 -0.176 0.000 2.512 278 I HA 0.054 4.224 4.170 -0.000 0.000 0.247 278 I C -0.101 175.692 176.117 -0.541 0.000 1.094 278 I CA 0.692 61.708 61.300 -0.474 0.000 1.427 278 I CB 0.158 37.687 38.000 -0.785 0.000 1.149 278 I HN 0.345 nan 8.210 nan 0.000 0.438 279 F N 0.826 120.779 119.950 0.005 0.000 2.708 279 F HA 0.575 5.102 4.527 -0.000 0.000 0.344 279 F C 0.197 175.982 175.800 -0.025 0.000 1.447 279 F CA -1.775 56.215 58.000 -0.018 0.000 1.140 279 F CB -0.933 38.035 39.000 -0.054 0.000 1.657 279 F HN -0.196 nan 8.300 nan 0.000 0.598 280 G N 1.627 110.522 108.800 0.157 0.000 2.403 280 G HA2 0.421 4.381 3.960 -0.000 0.000 0.259 280 G HA3 0.421 4.381 3.960 -0.000 0.000 0.259 280 G C 0.682 175.622 174.900 0.066 0.000 1.244 280 G CA -0.614 44.545 45.100 0.099 0.000 0.849 280 G HN 0.607 nan 8.290 nan 0.000 0.532 281 R N 1.849 122.375 120.500 0.044 0.000 2.565 281 R HA 0.182 4.522 4.340 -0.000 0.000 0.347 281 R C -2.280 174.037 176.300 0.028 0.000 1.010 281 R CA -0.599 55.527 56.100 0.043 0.000 1.126 281 R CB -0.377 29.939 30.300 0.028 0.000 1.331 281 R HN 0.267 nan 8.270 nan 0.000 0.552 282 P HA 0.054 nan 4.420 nan 0.000 0.258 282 P C -1.013 176.271 177.300 -0.027 0.000 1.214 282 P CA 0.319 63.397 63.100 -0.037 0.000 0.872 282 P CB 0.672 32.312 31.700 -0.100 0.000 0.890 283 V N 5.077 124.989 119.914 -0.004 0.000 2.567 283 V HA 0.422 4.542 4.120 -0.000 0.000 0.298 283 V C 0.419 176.519 176.094 0.011 0.000 1.047 283 V CA -0.329 61.984 62.300 0.022 0.000 0.880 283 V CB 2.148 34.002 31.823 0.053 0.000 1.009 283 V HN 0.368 nan 8.190 nan 0.000 0.429 284 V N 1.498 121.417 119.914 0.009 0.000 4.646 284 V HA 0.662 4.782 4.120 -0.000 0.000 0.314 284 V C -1.035 175.066 176.094 0.012 0.000 1.636 284 V CA -0.779 61.526 62.300 0.008 0.000 0.841 284 V CB 1.155 32.977 31.823 -0.003 0.000 1.163 284 V HN 0.564 nan 8.190 nan 0.000 0.461 314 P HA 0.673 nan 4.420 nan 0.000 0.280 314 P C -1.817 175.478 177.300 -0.008 0.000 1.272 314 P CA -0.849 62.248 63.100 -0.005 0.000 0.819 314 P CB 1.216 32.915 31.700 -0.003 0.000 1.122 315 A N 1.435 124.252 122.820 -0.005 0.000 2.291 315 A HA 0.495 4.815 4.320 -0.000 0.000 0.311 315 A C 0.201 177.781 177.584 -0.006 0.000 1.224 315 A CA -0.791 51.242 52.037 -0.006 0.000 0.821 315 A CB 0.231 19.229 19.000 -0.004 0.000 1.172 315 A HN 0.607 nan 8.150 nan 0.000 0.494 316 M N 1.888 121.481 119.600 -0.012 0.000 2.219 316 M HA -0.004 4.476 4.480 -0.000 0.000 0.340 316 M C 1.060 177.366 176.300 0.010 0.000 1.135 316 M CA 0.509 55.805 55.300 -0.008 0.000 0.976 316 M CB 0.260 32.844 32.600 -0.028 0.000 1.713 316 M HN 0.858 nan 8.290 nan 0.000 0.457 317 A N 3.300 126.137 122.820 0.028 0.000 2.327 317 A HA 0.306 4.626 4.320 -0.000 0.000 0.255 317 A C 0.963 178.583 177.584 0.061 0.000 1.099 317 A CA -0.498 51.566 52.037 0.046 0.000 0.801 317 A CB 0.229 19.267 19.000 0.065 0.000 1.062 317 A HN 0.832 nan 8.150 nan 0.000 0.496 318 I N -0.570 120.045 120.570 0.076 0.000 2.099 318 I HA -0.228 3.942 4.170 -0.000 0.000 0.239 318 I C 2.055 178.251 176.117 0.131 0.000 1.066 318 I CA 1.938 63.290 61.300 0.087 0.000 1.324 318 I CB -0.752 37.300 38.000 0.087 0.000 1.037 318 I HN 0.769 nan 8.210 nan 0.000 0.401 319 F N 1.419 121.382 119.950 0.022 0.000 2.051 319 F HA -0.223 4.304 4.527 -0.000 0.000 0.296 319 F C 2.637 178.464 175.800 0.046 0.000 1.122 319 F CA 2.008 60.025 58.000 0.029 0.000 1.201 319 F CB -0.596 38.417 39.000 0.022 0.000 0.978 319 F HN 0.127 nan 8.300 nan 0.000 0.472 320 E N 0.048 120.287 120.200 0.065 0.000 2.200 320 E HA -0.300 4.050 4.350 -0.000 0.000 0.211 320 E C 2.283 178.866 176.600 -0.028 0.000 1.048 320 E CA 1.695 58.095 56.400 -0.000 0.000 0.851 320 E CB -0.454 29.284 29.700 0.062 0.000 0.747 320 E HN 0.382 nan 8.360 nan 0.000 0.462 321 L N 0.262 121.478 121.223 -0.010 0.000 1.988 321 L HA -0.177 4.163 4.340 -0.000 0.000 0.207 321 L C 2.432 179.315 176.870 0.023 0.000 1.071 321 L CA 1.324 56.177 54.840 0.022 0.000 0.744 321 L CB -0.822 41.258 42.059 0.035 0.000 0.893 321 L HN 0.237 nan 8.230 nan 0.000 0.433 322 L N 0.301 121.495 121.223 -0.049 0.000 2.046 322 L HA -0.236 4.104 4.340 -0.000 0.000 0.208 322 L C 2.348 179.121 176.870 -0.161 0.000 1.077 322 L CA 1.925 56.720 54.840 -0.075 0.000 0.747 322 L CB -1.105 40.911 42.059 -0.071 0.000 0.896 322 L HN 0.331 nan 8.230 nan 0.000 0.432 323 D N -2.164 118.014 120.400 -0.371 0.000 2.218 323 D HA -0.272 4.368 4.640 -0.000 0.000 0.204 323 D C 2.140 178.332 176.300 -0.181 0.000 0.976 323 D CA 0.917 54.665 54.000 -0.420 0.000 0.853 323 D CB 0.025 40.358 40.800 -0.777 0.000 0.939 323 D HN 0.394 nan 8.370 nan 0.000 0.481 324 Y N 0.358 120.551 120.300 -0.179 0.000 2.153 324 Y HA -0.015 4.534 4.550 -0.000 0.000 0.289 324 Y C 2.096 177.958 175.900 -0.065 0.000 1.127 324 Y CA 1.327 59.369 58.100 -0.097 0.000 1.131 324 Y CB -0.139 38.283 38.460 -0.064 0.000 0.995 324 Y HN -0.049 nan 8.280 nan 0.000 0.505 325 I N -0.813 119.860 120.570 0.172 0.000 2.194 325 I HA -0.379 3.791 4.170 -0.000 0.000 0.246 325 I C 2.037 178.135 176.117 -0.032 0.000 1.093 325 I CA 1.482 62.859 61.300 0.127 0.000 1.355 325 I CB -0.589 37.481 38.000 0.117 0.000 1.046 325 I HN 0.137 nan 8.210 nan 0.000 0.413 326 V N 1.073 120.924 119.914 -0.104 0.000 2.232 326 V HA -0.259 3.861 4.120 -0.000 0.000 0.239 326 V C 1.838 177.841 176.094 -0.151 0.000 1.040 326 V CA 2.564 64.774 62.300 -0.150 0.000 0.996 326 V CB -1.007 30.730 31.823 -0.142 0.000 0.638 326 V HN 0.434 nan 8.190 nan 0.000 0.453 327 N N -0.653 117.946 118.700 -0.169 0.000 2.270 327 N HA -0.053 4.687 4.740 -0.000 0.000 0.181 327 N C 0.547 175.926 175.510 -0.218 0.000 1.016 327 N CA 0.451 53.399 53.050 -0.170 0.000 0.870 327 N CB 0.069 38.464 38.487 -0.153 0.000 0.979 327 N HN 0.420 nan 8.380 nan 0.000 0.431 328 E N 1.188 121.175 120.200 -0.354 0.000 2.319 328 E HA 0.238 4.588 4.350 -0.000 0.000 0.268 328 E C -2.243 174.195 176.600 -0.270 0.000 1.050 328 E CA -2.368 53.747 56.400 -0.475 0.000 0.878 328 E CB 0.162 29.140 29.700 -1.203 0.000 1.066 328 E HN 0.066 nan 8.360 nan 0.000 0.406 329 P HA 0.060 nan 4.420 nan 0.000 0.267 329 P C -2.314 174.993 177.300 0.011 0.000 1.200 329 P CA -0.796 62.269 63.100 -0.059 0.000 0.772 329 P CB -0.517 31.154 31.700 -0.048 0.000 0.855 330 P HA 0.185 nan 4.420 nan 0.000 0.272 330 P C -2.238 175.044 177.300 -0.029 0.000 1.223 330 P CA -1.255 61.890 63.100 0.075 0.000 0.784 330 P CB -0.924 30.813 31.700 0.062 0.000 0.923 331 P HA 0.273 nan 4.420 nan 0.000 0.272 331 P C -0.526 176.672 177.300 -0.170 0.000 1.230 331 P CA 0.059 63.084 63.100 -0.126 0.000 0.788 331 P CB 0.976 32.560 31.700 -0.194 0.000 0.949 332 K N 0.345 120.661 120.400 -0.141 0.000 2.482 332 K HA 0.469 4.789 4.320 -0.000 0.000 0.257 332 K C -0.877 175.632 176.600 -0.152 0.000 0.969 332 K CA -1.107 55.087 56.287 -0.155 0.000 0.842 332 K CB 1.332 33.770 32.500 -0.102 0.000 1.359 332 K HN 0.176 nan 8.250 nan 0.000 0.441 333 L N 3.770 124.873 121.223 -0.200 0.000 2.380 333 L HA 0.251 4.591 4.340 -0.000 0.000 0.273 333 L C -2.040 174.820 176.870 -0.015 0.000 1.138 333 L CA -1.648 53.091 54.840 -0.168 0.000 0.832 333 L CB -0.078 41.773 42.059 -0.347 0.000 1.124 333 L HN 0.481 nan 8.230 nan 0.000 0.454 334 P HA 0.019 nan 4.420 nan 0.000 0.269 334 P C -0.623 176.694 177.300 0.028 0.000 1.209 334 P CA -0.130 63.010 63.100 0.067 0.000 0.776 334 P CB 0.559 32.319 31.700 0.101 0.000 0.876 335 N N -0.102 118.589 118.700 -0.014 0.000 2.424 335 N HA 0.326 5.066 4.740 -0.000 0.000 0.257 335 N C 1.309 176.768 175.510 -0.085 0.000 1.250 335 N CA 0.868 53.899 53.050 -0.031 0.000 0.946 335 N CB -0.030 38.444 38.487 -0.023 0.000 1.175 335 N HN 0.677 nan 8.380 nan 0.000 0.477 336 G N -0.701 108.053 108.800 -0.076 0.000 2.180 336 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.263 336 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.263 336 G C 0.577 175.358 174.900 -0.199 0.000 0.989 336 G CA 0.938 45.975 45.100 -0.105 0.000 0.692 336 G HN 0.497 nan 8.290 nan 0.000 0.526 337 V N -1.665 118.059 119.914 -0.317 0.000 2.996 337 V HA 0.685 4.805 4.120 -0.000 0.000 0.235 337 V C 0.780 176.492 176.094 -0.636 0.000 1.205 337 V CA 0.907 62.832 62.300 -0.625 0.000 1.225 337 V CB 0.087 31.232 31.823 -1.131 0.000 0.995 337 V HN 0.246 nan 8.190 nan 0.000 0.484 338 F N 2.190 122.075 119.950 -0.107 0.000 2.432 338 F HA 0.614 5.140 4.527 -0.000 0.000 0.329 338 F C 0.902 176.727 175.800 0.043 0.000 1.076 338 F CA -0.562 57.455 58.000 0.028 0.000 1.018 338 F CB 0.838 39.919 39.000 0.136 0.000 1.201 338 F HN -0.014 nan 8.300 nan 0.000 0.489 339 T N 0.922 115.647 114.554 0.285 0.000 2.946 339 T HA 0.016 4.366 4.350 -0.000 0.000 0.312 339 T C -1.927 172.877 174.700 0.175 0.000 1.066 339 T CA -0.925 61.287 62.100 0.188 0.000 1.138 339 T CB 0.387 69.372 68.868 0.194 0.000 1.014 339 T HN 0.348 nan 8.240 nan 0.000 0.544 340 P HA -0.107 nan 4.420 nan 0.000 0.218 340 P C 0.992 178.371 177.300 0.132 0.000 1.146 340 P CA 0.926 64.082 63.100 0.094 0.000 0.813 340 P CB 0.119 31.861 31.700 0.069 0.000 0.778 341 D N -1.808 118.705 120.400 0.189 0.000 2.103 341 D HA -0.113 4.527 4.640 -0.000 0.000 0.199 341 D C 1.630 178.104 176.300 0.291 0.000 0.978 341 D CA 0.784 54.963 54.000 0.299 0.000 0.829 341 D CB -0.932 40.053 40.800 0.309 0.000 0.981 341 D HN 0.017 nan 8.370 nan 0.000 0.464 342 F N 2.049 121.947 119.950 -0.087 0.000 2.120 342 F HA -0.188 4.339 4.527 -0.000 0.000 0.300 342 F C 2.251 177.857 175.800 -0.325 0.000 1.095 342 F CA 1.405 59.068 58.000 -0.561 0.000 1.249 342 F CB -0.604 38.123 39.000 -0.456 0.000 0.995 342 F HN 0.001 nan 8.300 nan 0.000 0.480 343 Q N -0.607 119.128 119.800 -0.108 0.000 2.030 343 Q HA -0.261 4.079 4.340 -0.000 0.000 0.204 343 Q C 2.159 178.069 176.000 -0.151 0.000 0.986 343 Q CA 1.994 57.684 55.803 -0.188 0.000 0.843 343 Q CB -0.372 28.328 28.738 -0.062 0.000 0.904 343 Q HN 0.263 nan 8.270 nan 0.000 0.420 344 E N 0.383 120.574 120.200 -0.016 0.000 2.106 344 E HA -0.152 4.198 4.350 -0.000 0.000 0.192 344 E C 1.452 177.989 176.600 -0.105 0.000 0.984 344 E CA 0.734 57.142 56.400 0.014 0.000 0.806 344 E CB -0.289 29.515 29.700 0.174 0.000 0.750 344 E HN 0.286 nan 8.360 nan 0.000 0.458 345 F N 0.668 120.385 119.950 -0.389 0.000 2.025 345 F HA -0.256 4.271 4.527 -0.000 0.000 0.297 345 F C 2.281 177.845 175.800 -0.394 0.000 1.132 345 F CA 2.334 59.970 58.000 -0.607 0.000 1.191 345 F CB -0.773 37.891 39.000 -0.561 0.000 0.963 345 F HN 0.039 nan 8.300 nan 0.000 0.481 346 V N -0.609 119.099 119.914 -0.343 0.000 2.594 346 V HA -0.236 3.884 4.120 -0.000 0.000 0.253 346 V C 1.903 177.755 176.094 -0.403 0.000 1.069 346 V CA 2.315 64.353 62.300 -0.436 0.000 1.082 346 V CB -1.112 30.393 31.823 -0.530 0.000 0.680 346 V HN 0.372 nan 8.190 nan 0.000 0.469 347 N N 0.880 119.387 118.700 -0.321 0.000 2.216 347 N HA -0.041 4.699 4.740 -0.000 0.000 0.183 347 N C 1.798 177.182 175.510 -0.211 0.000 1.017 347 N CA 1.550 54.456 53.050 -0.239 0.000 0.861 347 N CB -0.400 37.988 38.487 -0.164 0.000 0.986 347 N HN 0.546 nan 8.380 nan 0.000 0.428 348 K N -0.321 119.934 120.400 -0.240 0.000 2.211 348 K HA 0.042 4.362 4.320 -0.000 0.000 0.203 348 K C 1.600 178.055 176.600 -0.241 0.000 1.050 348 K CA 0.635 56.797 56.287 -0.208 0.000 0.945 348 K CB -0.034 32.338 32.500 -0.214 0.000 0.732 348 K HN 0.200 nan 8.250 nan 0.000 0.451 349 C N 0.060 119.144 119.300 -0.361 0.000 2.446 349 C HA 0.049 4.509 4.460 -0.000 0.000 0.279 349 C C 1.378 176.230 174.990 -0.231 0.000 1.366 349 C CA 0.336 59.159 59.018 -0.325 0.000 1.763 349 C CB -0.312 27.164 27.740 -0.440 0.000 1.929 349 C HN 0.353 nan 8.230 nan 0.000 0.509 350 L N 0.458 121.512 121.223 -0.281 0.000 3.094 350 L HA 0.373 4.713 4.340 -0.000 0.000 0.254 350 L C -0.433 176.451 176.870 0.023 0.000 1.298 350 L CA 0.013 54.633 54.840 -0.367 0.000 1.050 350 L CB -0.174 41.498 42.059 -0.645 0.000 1.420 350 L HN 0.204 nan 8.230 nan 0.000 0.548 351 I N 0.351 120.992 120.570 0.118 0.000 2.371 351 I HA 0.051 4.220 4.170 -0.000 0.000 0.290 351 I C 1.460 177.719 176.117 0.235 0.000 1.028 351 I CA 0.036 61.415 61.300 0.131 0.000 1.345 351 I CB 1.153 39.176 38.000 0.038 0.000 1.407 351 I HN 0.199 nan 8.210 nan 0.000 0.501 352 K N 3.931 124.443 120.400 0.185 0.000 2.063 352 K HA -0.168 4.152 4.320 -0.000 0.000 0.208 352 K C 0.821 177.378 176.600 -0.073 0.000 1.048 352 K CA 0.956 57.258 56.287 0.024 0.000 0.928 352 K CB -0.242 32.248 32.500 -0.016 0.000 0.713 352 K HN 0.623 nan 8.250 nan 0.000 0.442 353 N N 2.219 120.900 118.700 -0.031 0.000 2.416 353 N HA -0.015 4.725 4.740 -0.000 0.000 0.265 353 N C -1.831 173.657 175.510 -0.037 0.000 1.195 353 N CA -1.172 51.851 53.050 -0.045 0.000 0.943 353 N CB 1.035 39.505 38.487 -0.029 0.000 1.115 353 N HN -0.075 nan 8.380 nan 0.000 0.481 354 P HA -0.117 nan 4.420 nan 0.000 0.221 354 P C 0.692 177.972 177.300 -0.034 0.000 1.150 354 P CA 0.903 63.969 63.100 -0.057 0.000 0.800 354 P CB 0.157 31.801 31.700 -0.093 0.000 0.787 355 A N 0.073 122.874 122.820 -0.031 0.000 2.067 355 A HA -0.081 4.239 4.320 -0.000 0.000 0.217 355 A C 2.176 179.751 177.584 -0.014 0.000 1.156 355 A CA 0.980 53.004 52.037 -0.020 0.000 0.683 355 A CB -0.804 18.184 19.000 -0.020 0.000 0.808 355 A HN 0.123 nan 8.150 nan 0.000 0.455 356 E N -0.805 119.386 120.200 -0.014 0.000 2.364 356 E HA 0.046 4.396 4.350 -0.000 0.000 0.196 356 E C 0.778 177.373 176.600 -0.008 0.000 0.990 356 E CA -0.375 56.020 56.400 -0.009 0.000 0.886 356 E CB 0.170 29.864 29.700 -0.009 0.000 0.866 356 E HN 0.494 nan 8.360 nan 0.000 0.493 357 R N 0.927 121.424 120.500 -0.005 0.000 2.698 357 R HA 0.086 4.426 4.340 -0.000 0.000 0.266 357 R C -0.344 175.942 176.300 -0.023 0.000 1.026 357 R CA 0.157 56.253 56.100 -0.007 0.000 1.102 357 R CB 0.508 30.818 30.300 0.016 0.000 0.978 357 R HN -0.054 nan 8.270 nan 0.000 0.436 358 A N 3.726 126.515 122.820 -0.051 0.000 2.531 358 A HA 0.037 4.357 4.320 -0.000 0.000 0.236 358 A C -0.116 177.444 177.584 -0.040 0.000 1.062 358 A CA 0.185 52.189 52.037 -0.054 0.000 0.760 358 A CB -0.013 18.918 19.000 -0.115 0.000 0.995 358 A HN 0.897 nan 8.150 nan 0.000 0.501 359 D N 1.213 121.604 120.400 -0.015 0.000 2.487 359 D HA 0.214 4.854 4.640 -0.000 0.000 0.262 359 D C 0.738 177.044 176.300 0.009 0.000 1.130 359 D CA -0.736 53.264 54.000 -0.001 0.000 1.038 359 D CB 0.618 41.424 40.800 0.009 0.000 1.142 359 D HN 0.203 nan 8.370 nan 0.000 0.575 360 L N 0.471 121.707 121.223 0.021 0.000 2.129 360 L HA -0.148 4.192 4.340 -0.000 0.000 0.212 360 L C 2.529 179.429 176.870 0.050 0.000 1.087 360 L CA 1.760 56.621 54.840 0.036 0.000 0.757 360 L CB -1.190 40.891 42.059 0.037 0.000 0.896 360 L HN 0.593 nan 8.230 nan 0.000 0.434 361 K N -1.393 119.033 120.400 0.043 0.000 2.031 361 K HA -0.151 4.169 4.320 -0.000 0.000 0.205 361 K C 2.144 178.786 176.600 0.070 0.000 1.049 361 K CA 1.225 57.542 56.287 0.050 0.000 0.939 361 K CB -0.062 32.460 32.500 0.037 0.000 0.717 361 K HN 0.111 nan 8.250 nan 0.000 0.438 362 M N 0.710 120.350 119.600 0.067 0.000 2.082 362 M HA -0.208 4.272 4.480 -0.000 0.000 0.258 362 M C 1.948 178.349 176.300 0.169 0.000 1.069 362 M CA 1.665 57.023 55.300 0.097 0.000 1.102 362 M CB -0.189 32.450 32.600 0.066 0.000 1.336 362 M HN 0.151 nan 8.290 nan 0.000 0.404 363 L N -1.400 119.908 121.223 0.142 0.000 2.056 363 L HA -0.174 4.166 4.340 -0.000 0.000 0.207 363 L C 2.347 179.432 176.870 0.359 0.000 1.078 363 L CA 1.260 56.259 54.840 0.265 0.000 0.749 363 L CB -1.069 41.060 42.059 0.115 0.000 0.901 363 L HN 0.316 nan 8.230 nan 0.000 0.433 364 T N -0.839 113.833 114.554 0.197 0.000 2.867 364 T HA -0.133 4.217 4.350 -0.000 0.000 0.268 364 T C 1.416 176.185 174.700 0.115 0.000 1.057 364 T CA 1.365 63.542 62.100 0.129 0.000 1.136 364 T CB -0.277 68.633 68.868 0.069 0.000 0.874 364 T HN 0.302 nan 8.240 nan 0.000 0.466 365 N N -0.101 118.676 118.700 0.129 0.000 2.398 365 N HA 0.077 4.816 4.740 -0.000 0.000 0.188 365 N C 0.239 175.825 175.510 0.127 0.000 1.122 365 N CA -0.067 53.040 53.050 0.096 0.000 0.866 365 N CB -0.010 38.517 38.487 0.067 0.000 0.970 365 N HN 0.459 nan 8.380 nan 0.000 0.462 366 H N -0.473 118.681 119.070 0.139 0.000 2.815 366 H HA -0.008 4.548 4.556 -0.000 0.000 0.350 366 H C 1.793 177.191 175.328 0.116 0.000 1.080 366 H CA 0.706 56.866 56.048 0.188 0.000 1.433 366 H CB 0.979 30.985 29.762 0.407 0.000 1.432 366 H HN -0.028 nan 8.280 nan 0.000 0.592 367 T N 3.320 117.729 114.554 -0.242 0.000 2.881 367 T HA -0.220 4.130 4.350 -0.000 0.000 0.270 367 T C 1.866 176.610 174.700 0.072 0.000 1.068 367 T CA 1.663 63.707 62.100 -0.093 0.000 1.131 367 T CB -0.541 68.239 68.868 -0.146 0.000 0.871 367 T HN 0.620 nan 8.240 nan 0.000 0.479 368 F N 0.895 120.965 119.950 0.200 0.000 2.186 368 F HA 0.089 4.616 4.527 -0.000 0.000 0.299 368 F C 1.800 177.508 175.800 -0.153 0.000 1.090 368 F CA 1.012 59.044 58.000 0.054 0.000 1.307 368 F CB -0.060 38.976 39.000 0.061 0.000 1.019 368 F HN 0.129 nan 8.300 nan 0.000 0.489 369 I N 0.542 120.929 120.570 -0.305 0.000 2.480 369 I HA -0.137 4.033 4.170 -0.000 0.000 0.251 369 I C 2.102 178.056 176.117 -0.272 0.000 1.124 369 I CA 1.032 62.076 61.300 -0.427 0.000 1.444 369 I CB -1.123 36.772 38.000 -0.175 0.000 1.098 369 I HN 0.172 nan 8.210 nan 0.000 0.428 370 K N 0.591 120.906 120.400 -0.141 0.000 2.002 370 K HA -0.183 4.137 4.320 -0.000 0.000 0.209 370 K C 2.250 178.765 176.600 -0.142 0.000 1.048 370 K CA 1.330 57.551 56.287 -0.110 0.000 0.930 370 K CB -0.226 32.236 32.500 -0.063 0.000 0.714 370 K HN 0.102 nan 8.250 nan 0.000 0.438 371 R N 0.678 121.088 120.500 -0.151 0.000 2.105 371 R HA -0.118 4.222 4.340 -0.000 0.000 0.239 371 R C 2.015 178.184 176.300 -0.219 0.000 1.135 371 R CA 1.805 57.815 56.100 -0.150 0.000 0.967 371 R CB -0.109 30.126 30.300 -0.109 0.000 0.861 371 R HN 0.077 nan 8.270 nan 0.000 0.442 372 S N 0.251 115.733 115.700 -0.364 0.000 2.453 372 S HA -0.068 4.402 4.470 -0.000 0.000 0.231 372 S C 1.402 175.835 174.600 -0.278 0.000 1.005 372 S CA 0.865 58.814 58.200 -0.418 0.000 0.949 372 S CB 0.049 62.819 63.200 -0.717 0.000 0.774 372 S HN 0.432 nan 8.310 nan 0.000 0.510 373 E N 0.644 120.710 120.200 -0.223 0.000 2.051 373 E HA -0.088 4.262 4.350 -0.000 0.000 0.189 373 E C 2.303 178.838 176.600 -0.109 0.000 0.979 373 E CA 1.349 57.658 56.400 -0.152 0.000 0.803 373 E CB -0.125 29.501 29.700 -0.123 0.000 0.761 373 E HN 0.496 nan 8.360 nan 0.000 0.451 374 V N 0.823 120.677 119.914 -0.101 0.000 2.427 374 V HA -0.157 3.963 4.120 -0.000 0.000 0.248 374 V C 1.380 177.433 176.094 -0.068 0.000 1.051 374 V CA 1.438 63.695 62.300 -0.072 0.000 1.048 374 V CB -0.958 30.828 31.823 -0.060 0.000 0.666 374 V HN 0.234 nan 8.190 nan 0.000 0.456 375 E N 1.620 121.767 120.200 -0.087 0.000 1.972 375 E HA 0.141 4.491 4.350 -0.000 0.000 0.292 375 E C -0.270 176.288 176.600 -0.070 0.000 1.193 375 E CA -0.440 55.915 56.400 -0.075 0.000 1.228 375 E CB -0.110 29.540 29.700 -0.083 0.000 1.167 375 E HN 0.484 nan 8.360 nan 0.000 0.479 376 E N 1.965 122.135 120.200 -0.049 0.000 2.498 376 E HA 0.006 4.355 4.350 -0.000 0.000 0.252 376 E C -0.571 176.019 176.600 -0.017 0.000 1.025 376 E CA 0.002 56.383 56.400 -0.032 0.000 0.938 376 E CB 0.870 30.560 29.700 -0.017 0.000 0.947 376 E HN 0.466 nan 8.360 nan 0.000 0.478 377 V N 1.184 121.093 119.914 -0.008 0.000 2.656 377 V HA 0.392 4.512 4.120 -0.000 0.000 0.307 377 V C 0.016 176.151 176.094 0.069 0.000 1.051 377 V CA -1.273 61.035 62.300 0.014 0.000 0.893 377 V CB 2.087 33.899 31.823 -0.019 0.000 0.999 377 V HN 0.392 nan 8.190 nan 0.000 0.426 378 D N 2.462 122.912 120.400 0.084 0.000 2.385 378 D HA 0.089 4.729 4.640 -0.000 0.000 0.260 378 D C 0.558 176.970 176.300 0.187 0.000 1.326 378 D CA 0.010 54.082 54.000 0.120 0.000 1.023 378 D CB 0.132 40.988 40.800 0.093 0.000 1.083 378 D HN 0.635 nan 8.370 nan 0.000 0.517 379 F N 3.285 123.283 119.950 0.080 0.000 2.206 379 F HA -0.060 4.466 4.527 -0.000 0.000 0.298 379 F C 2.015 177.936 175.800 0.202 0.000 1.090 379 F CA 1.260 59.341 58.000 0.135 0.000 1.323 379 F CB 0.232 39.276 39.000 0.074 0.000 1.028 379 F HN 0.396 nan 8.300 nan 0.000 0.492 380 A N 0.294 123.214 122.820 0.167 0.000 1.898 380 A HA -0.014 4.306 4.320 -0.000 0.000 0.216 380 A C 2.443 180.023 177.584 -0.007 0.000 1.181 380 A CA 1.557 53.629 52.037 0.059 0.000 0.620 380 A CB -1.741 17.324 19.000 0.108 0.000 0.819 380 A HN 0.486 nan 8.150 nan 0.000 0.442 381 G N -1.622 107.203 108.800 0.043 0.000 2.402 381 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.216 381 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.216 381 G C 1.423 176.336 174.900 0.022 0.000 1.162 381 G CA 1.033 46.152 45.100 0.032 0.000 0.777 381 G HN 0.690 nan 8.290 nan 0.000 0.539 382 W N 0.776 121.996 121.300 -0.133 0.000 2.378 382 W HA 0.061 4.721 4.660 -0.000 0.000 0.313 382 W C 2.183 178.566 176.519 -0.227 0.000 1.197 382 W CA 1.085 58.338 57.345 -0.153 0.000 1.304 382 W CB -0.331 29.046 29.460 -0.138 0.000 1.148 382 W HN 0.074 nan 8.180 nan 0.000 0.494 383 L N 0.545 121.627 121.223 -0.235 0.000 2.012 383 L HA -0.276 4.064 4.340 -0.000 0.000 0.210 383 L C 2.080 178.712 176.870 -0.397 0.000 1.073 383 L CA 2.485 57.044 54.840 -0.468 0.000 0.748 383 L CB -1.342 40.407 42.059 -0.517 0.000 0.891 383 L HN 0.185 nan 8.230 nan 0.000 0.431 384 C N -0.354 118.797 119.300 -0.248 0.000 2.457 384 C HA -0.096 4.364 4.460 -0.000 0.000 0.278 384 C C 2.767 177.639 174.990 -0.196 0.000 1.309 384 C CA 0.268 59.182 59.018 -0.174 0.000 1.735 384 C CB -0.614 27.069 27.740 -0.095 0.000 1.992 384 C HN 0.418 nan 8.230 nan 0.000 0.493 385 K N 0.770 121.033 120.400 -0.228 0.000 2.155 385 K HA -0.079 4.241 4.320 -0.000 0.000 0.203 385 K C 2.041 178.480 176.600 -0.269 0.000 1.052 385 K CA 1.838 58.004 56.287 -0.202 0.000 0.948 385 K CB -0.480 31.931 32.500 -0.149 0.000 0.728 385 K HN 0.680 nan 8.250 nan 0.000 0.448 386 T N -1.849 112.430 114.554 -0.458 0.000 3.100 386 T HA 0.041 4.391 4.350 -0.000 0.000 0.253 386 T C 1.471 175.971 174.700 -0.334 0.000 1.118 386 T CA 0.221 62.043 62.100 -0.462 0.000 1.058 386 T CB 0.177 68.564 68.868 -0.801 0.000 0.953 386 T HN -0.058 nan 8.240 nan 0.000 0.515 387 L N 0.195 121.242 121.223 -0.293 0.000 2.766 387 L HA 0.504 4.844 4.340 -0.000 0.000 0.242 387 L C 0.691 177.487 176.870 -0.123 0.000 1.136 387 L CA -0.074 54.653 54.840 -0.189 0.000 0.933 387 L CB -0.023 41.927 42.059 -0.182 0.000 1.241 387 L HN 0.053 nan 8.230 nan 0.000 0.522 388 R N 0.049 120.474 120.500 -0.124 0.000 3.322 388 R HA -0.211 4.129 4.340 -0.000 0.000 0.253 388 R C 0.593 176.856 176.300 -0.062 0.000 0.987 388 R CA 0.592 56.643 56.100 -0.082 0.000 0.666 388 R CB -1.685 28.578 30.300 -0.062 0.000 1.072 388 R HN 0.250 nan 8.270 nan 0.000 0.447 389 L N 0.582 121.762 121.223 -0.071 0.000 2.966 389 L HA 0.119 4.459 4.340 -0.000 0.000 0.262 389 L C 0.162 177.011 176.870 -0.035 0.000 1.165 389 L CA 0.127 54.939 54.840 -0.046 0.000 0.978 389 L CB 0.228 42.255 42.059 -0.052 0.000 1.337 389 L HN 0.310 nan 8.230 nan 0.000 0.563 390 N N 0.789 119.464 118.700 -0.042 0.000 2.182 390 N HA -0.070 4.670 4.740 -0.000 0.000 0.283 390 N C -0.418 175.086 175.510 -0.011 0.000 1.380 390 N CA 0.613 53.646 53.050 -0.028 0.000 0.874 390 N CB 0.070 38.540 38.487 -0.029 0.000 1.190 390 N HN 0.295 nan 8.380 nan 0.000 0.494 391 Q N 1.669 121.468 119.800 -0.002 0.000 2.451 391 Q HA 0.348 4.688 4.340 -0.000 0.000 0.281 391 Q C -2.476 173.532 176.000 0.014 0.000 1.099 391 Q CA -1.870 53.938 55.803 0.009 0.000 0.806 391 Q CB 1.788 30.537 28.738 0.017 0.000 1.419 391 Q HN 0.503 nan 8.270 nan 0.000 0.427 392 P HA 0.148 nan 4.420 nan 0.000 0.235 392 P C 0.016 177.331 177.300 0.024 0.000 1.720 392 P CA 0.576 63.688 63.100 0.018 0.000 1.003 392 P CB -0.482 31.229 31.700 0.017 0.000 1.968 393 G N 0.000 108.816 108.800 0.027 0.000 5.446 393 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 393 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 393 G CA 0.000 45.121 45.100 0.034 0.000 0.502 393 G HN 0.000 nan 8.290 nan 0.000 0.925