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 2vx2_1_B DATA FIRST_RESID 45 DATA SEQUENCE PRPTSARQLD GIRNIVLSNP KKRNTLSLAM LKSLQSDILH DADSNDLKVI DATA SEQUENCE IISAEGPVFS SGHDLKELTE EQGRDYHAEV FQTCSKVMMH IRNHPVPVIA DATA SEQUENCE MVNGLATAAG CQLVASCDIA VASDKSSFAT PGVNVGLFCS TPGVALARAV DATA SEQUENCE PRKVALEMLF TGEPISAQEA LLHGLLSKVV PEAELQEETM RIARKIASLS DATA SEQUENCE RPVVSLGKAT FYKQLPQDLG TAYYLTSQAM VDNLALRDGQ EGITAFLQKR DATA SEQUENCE KPVWS 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 45 P HA 0.000 nan 4.420 nan 0.000 0.216 45 P C 0.000 177.290 177.300 -0.017 0.000 1.155 45 P CA 0.000 63.091 63.100 -0.015 0.000 0.800 45 P CB 0.000 31.690 31.700 -0.017 0.000 0.726 46 R N 0.581 121.069 120.500 -0.020 0.000 2.641 46 R HA 0.339 4.679 4.340 -0.000 0.000 0.269 46 R C -1.353 174.933 176.300 -0.024 0.000 1.074 46 R CA -1.040 55.047 56.100 -0.022 0.000 1.133 46 R CB 0.199 30.483 30.300 -0.026 0.000 1.029 46 R HN 0.364 nan 8.270 nan 0.000 0.488 47 P HA -0.036 nan 4.420 nan 0.000 0.236 47 P C -0.091 177.184 177.300 -0.040 0.000 1.177 47 P CA 0.803 63.885 63.100 -0.031 0.000 0.773 47 P CB 0.343 32.027 31.700 -0.027 0.000 0.878 48 T N -1.859 112.673 114.554 -0.037 0.000 2.809 48 T HA 0.516 4.866 4.350 -0.000 0.000 0.284 48 T C -0.148 174.531 174.700 -0.035 0.000 0.992 48 T CA -0.648 61.428 62.100 -0.039 0.000 0.957 48 T CB 1.149 69.996 68.868 -0.036 0.000 0.942 48 T HN -0.006 nan 8.240 nan 0.000 0.439 49 S N 2.368 118.048 115.700 -0.033 0.000 2.438 49 S HA 0.702 5.172 4.470 -0.000 0.000 0.293 49 S C 0.044 174.629 174.600 -0.025 0.000 1.141 49 S CA -0.997 57.185 58.200 -0.029 0.000 1.080 49 S CB 0.912 64.097 63.200 -0.025 0.000 0.978 49 S HN 1.219 nan 8.310 nan 0.000 0.479 50 A N 3.264 126.067 122.820 -0.028 0.000 2.273 50 A HA 0.713 5.033 4.320 -0.000 0.000 0.315 50 A C 0.329 177.903 177.584 -0.017 0.000 1.256 50 A CA -1.024 51.001 52.037 -0.020 0.000 0.851 50 A CB 0.719 19.706 19.000 -0.022 0.000 1.172 50 A HN 1.097 nan 8.150 nan 0.000 0.508 51 R N 2.224 122.720 120.500 -0.006 0.000 2.664 51 R HA 0.814 5.154 4.340 -0.000 0.000 0.286 51 R C -0.694 175.612 176.300 0.010 0.000 0.967 51 R CA -0.710 55.391 56.100 0.001 0.000 0.933 51 R CB 1.081 31.381 30.300 0.001 0.000 1.146 51 R HN 0.937 nan 8.270 nan 0.000 0.468 52 Q N 1.046 120.856 119.800 0.017 0.000 2.294 52 Q HA 0.624 4.964 4.340 -0.000 0.000 0.264 52 Q C -1.842 174.171 176.000 0.022 0.000 0.992 52 Q CA -0.380 55.437 55.803 0.023 0.000 0.747 52 Q CB 1.839 30.599 28.738 0.037 0.000 1.262 52 Q HN 0.922 nan 8.270 nan 0.000 0.452 53 L N 2.090 123.324 121.223 0.019 0.000 2.343 53 L HA 0.611 4.951 4.340 -0.000 0.000 0.278 53 L C -0.070 176.812 176.870 0.020 0.000 0.996 53 L CA -0.334 54.517 54.840 0.019 0.000 0.831 53 L CB 1.107 43.175 42.059 0.015 0.000 1.232 53 L HN 0.888 nan 8.230 nan 0.000 0.413 54 D N 2.617 123.031 120.400 0.023 0.000 2.775 54 D HA 0.070 4.710 4.640 -0.000 0.000 0.235 54 D C 1.215 177.531 176.300 0.027 0.000 1.120 54 D CA 2.553 56.569 54.000 0.026 0.000 0.708 54 D CB -1.285 39.530 40.800 0.025 0.000 1.084 54 D HN 2.153 nan 8.370 nan 0.000 0.434 55 G N -1.354 107.462 108.800 0.027 0.000 2.284 55 G HA2 -0.274 3.685 3.960 -0.000 0.000 0.216 55 G HA3 -0.274 3.685 3.960 -0.000 0.000 0.216 55 G C 0.263 175.174 174.900 0.018 0.000 1.009 55 G CA -0.143 44.972 45.100 0.024 0.000 0.625 55 G HN 0.493 nan 8.290 nan 0.000 0.501 56 I N 2.033 122.612 120.570 0.016 0.000 2.307 56 I HA 0.435 4.605 4.170 -0.000 0.000 0.289 56 I C 0.592 176.715 176.117 0.010 0.000 1.021 56 I CA -0.636 60.670 61.300 0.009 0.000 1.224 56 I CB 1.463 39.469 38.000 0.010 0.000 1.376 56 I HN 0.120 nan 8.210 nan 0.000 0.470 57 R N 4.876 125.379 120.500 0.005 0.000 2.229 57 R HA 0.285 4.624 4.340 -0.000 0.000 0.328 57 R C -0.600 175.701 176.300 0.001 0.000 1.009 57 R CA -0.532 55.572 56.100 0.007 0.000 0.864 57 R CB 0.674 30.980 30.300 0.010 0.000 1.085 57 R HN 0.522 nan 8.270 nan 0.000 0.453 58 N N 4.872 123.576 118.700 0.006 0.000 2.425 58 N HA 0.271 5.011 4.740 -0.000 0.000 0.268 58 N C -1.130 174.383 175.510 0.005 0.000 0.991 58 N CA -0.450 52.605 53.050 0.009 0.000 0.931 58 N CB 0.869 39.363 38.487 0.011 0.000 1.130 58 N HN 0.523 nan 8.380 nan 0.000 0.493 59 I N 3.357 123.931 120.570 0.007 0.000 2.355 59 I HA 0.298 4.467 4.170 -0.000 0.000 0.288 59 I C -0.487 175.627 176.117 -0.005 0.000 0.999 59 I CA -1.077 60.222 61.300 -0.001 0.000 1.163 59 I CB 1.519 39.519 38.000 0.000 0.000 1.316 59 I HN 0.097 nan 8.210 nan 0.000 0.454 60 V N 6.835 126.737 119.914 -0.020 0.000 2.427 60 V HA 0.309 4.429 4.120 -0.000 0.000 0.286 60 V C 0.027 176.079 176.094 -0.071 0.000 1.034 60 V CA -0.790 61.488 62.300 -0.037 0.000 0.893 60 V CB 1.628 33.436 31.823 -0.026 0.000 0.982 60 V HN 0.377 nan 8.190 nan 0.000 0.452 61 L N 3.818 124.965 121.223 -0.128 0.000 2.315 61 L HA 0.331 4.671 4.340 -0.000 0.000 0.283 61 L C 0.890 177.687 176.870 -0.121 0.000 1.089 61 L CA 0.881 55.626 54.840 -0.158 0.000 0.833 61 L CB 0.955 42.838 42.059 -0.293 0.000 1.170 61 L HN 0.699 nan 8.230 nan 0.000 0.442 62 S N 2.479 118.128 115.700 -0.084 0.000 2.668 62 S HA 0.262 4.731 4.470 -0.000 0.000 0.244 62 S C 0.360 174.929 174.600 -0.051 0.000 1.140 62 S CA -0.193 57.972 58.200 -0.059 0.000 1.134 62 S CB -0.431 62.743 63.200 -0.044 0.000 0.954 62 S HN 0.586 nan 8.310 nan 0.000 0.490 63 N N 2.218 120.882 118.700 -0.060 0.000 2.642 63 N HA 0.260 5.000 4.740 -0.000 0.000 0.308 63 N C -2.056 173.427 175.510 -0.045 0.000 1.914 63 N CA -1.807 51.216 53.050 -0.046 0.000 0.893 63 N CB 0.961 39.422 38.487 -0.043 0.000 1.322 63 N HN 0.153 nan 8.380 nan 0.000 0.490 64 P HA -0.164 nan 4.420 nan 0.000 0.218 64 P C 0.883 178.167 177.300 -0.028 0.000 1.148 64 P CA 1.150 64.227 63.100 -0.038 0.000 0.822 64 P CB 0.505 32.187 31.700 -0.031 0.000 0.784 65 K N 0.070 120.457 120.400 -0.022 0.000 2.211 65 K HA -0.103 4.217 4.320 -0.000 0.000 0.204 65 K C 1.592 178.183 176.600 -0.015 0.000 1.047 65 K CA 1.137 57.414 56.287 -0.016 0.000 0.935 65 K CB -0.180 32.312 32.500 -0.013 0.000 0.728 65 K HN 0.214 nan 8.250 nan 0.000 0.452 66 K N 0.207 120.596 120.400 -0.018 0.000 2.514 66 K HA 0.207 4.527 4.320 -0.000 0.000 0.207 66 K C -0.564 176.023 176.600 -0.021 0.000 1.035 66 K CA -0.137 56.141 56.287 -0.014 0.000 1.113 66 K CB 0.636 33.130 32.500 -0.010 0.000 0.846 66 K HN 0.040 nan 8.250 nan 0.000 0.491 67 R N 0.911 121.394 120.500 -0.028 0.000 3.770 67 R HA -0.194 4.146 4.340 -0.000 0.000 0.305 67 R C -0.788 175.478 176.300 -0.056 0.000 1.184 67 R CA 0.546 56.625 56.100 -0.035 0.000 0.823 67 R CB -2.131 28.156 30.300 -0.021 0.000 1.285 67 R HN 0.457 nan 8.270 nan 0.000 0.499 68 N N -0.655 118.003 118.700 -0.071 0.000 2.727 68 N HA -0.165 4.575 4.740 -0.000 0.000 0.249 68 N C 0.075 175.533 175.510 -0.086 0.000 1.048 68 N CA 1.887 54.874 53.050 -0.106 0.000 0.714 68 N CB -0.910 37.464 38.487 -0.188 0.000 0.959 68 N HN 0.488 nan 8.380 nan 0.000 0.544 69 T N 0.245 114.773 114.554 -0.044 0.000 2.946 69 T HA 0.151 4.501 4.350 -0.000 0.000 0.311 69 T C 1.099 175.793 174.700 -0.011 0.000 1.063 69 T CA -0.077 62.014 62.100 -0.017 0.000 1.139 69 T CB 0.310 69.184 68.868 0.010 0.000 0.994 69 T HN 0.224 nan 8.240 nan 0.000 0.547 70 L N 5.508 126.736 121.223 0.008 0.000 2.536 70 L HA 0.229 4.569 4.340 -0.000 0.000 0.242 70 L C 1.262 178.215 176.870 0.138 0.000 1.280 70 L CA -0.666 54.201 54.840 0.044 0.000 1.221 70 L CB -0.465 41.594 42.059 -0.000 0.000 1.449 70 L HN 0.723 nan 8.230 nan 0.000 0.405 71 S N -0.328 115.414 115.700 0.071 0.000 2.608 71 S HA 0.079 4.549 4.470 -0.000 0.000 0.261 71 S C 1.059 175.671 174.600 0.020 0.000 1.314 71 S CA -0.639 57.593 58.200 0.053 0.000 0.992 71 S CB 1.309 64.533 63.200 0.040 0.000 0.935 71 S HN 0.379 nan 8.310 nan 0.000 0.564 72 L N 1.537 122.746 121.223 -0.024 0.000 2.046 72 L HA 0.058 4.397 4.340 -0.000 0.000 0.208 72 L C 2.618 179.472 176.870 -0.026 0.000 1.077 72 L CA 2.396 57.192 54.840 -0.074 0.000 0.747 72 L CB -1.578 40.384 42.059 -0.161 0.000 0.896 72 L HN 0.938 nan 8.230 nan 0.000 0.432 73 A N -1.112 121.707 122.820 -0.001 0.000 1.930 73 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 73 A C 2.290 179.873 177.584 -0.002 0.000 1.175 73 A CA 1.968 54.007 52.037 0.002 0.000 0.627 73 A CB -0.643 18.364 19.000 0.011 0.000 0.815 73 A HN 0.523 nan 8.150 nan 0.000 0.443 74 M N -0.135 119.466 119.600 0.000 0.000 2.117 74 M HA -0.028 4.452 4.480 -0.000 0.000 0.262 74 M C 1.828 178.128 176.300 -0.001 0.000 1.065 74 M CA 1.550 56.846 55.300 -0.007 0.000 1.114 74 M CB -0.714 31.880 32.600 -0.010 0.000 1.361 74 M HN 0.344 nan 8.290 nan 0.000 0.408 75 L N -0.534 120.696 121.223 0.012 0.000 2.046 75 L HA -0.240 4.100 4.340 -0.000 0.000 0.208 75 L C 2.314 179.194 176.870 0.017 0.000 1.077 75 L CA 1.458 56.312 54.840 0.024 0.000 0.747 75 L CB -0.659 41.421 42.059 0.036 0.000 0.896 75 L HN 0.280 nan 8.230 nan 0.000 0.432 76 K N -1.019 119.384 120.400 0.004 0.000 2.155 76 K HA -0.115 4.205 4.320 -0.000 0.000 0.203 76 K C 2.383 178.983 176.600 0.001 0.000 1.052 76 K CA 1.222 57.511 56.287 0.003 0.000 0.948 76 K CB -0.100 32.397 32.500 -0.004 0.000 0.728 76 K HN 0.105 nan 8.250 nan 0.000 0.448 77 S N 0.961 116.659 115.700 -0.004 0.000 2.383 77 S HA -0.085 4.385 4.470 -0.000 0.000 0.227 77 S C 1.819 176.415 174.600 -0.007 0.000 1.026 77 S CA 0.735 58.929 58.200 -0.010 0.000 0.981 77 S CB -0.041 63.150 63.200 -0.015 0.000 0.818 77 S HN 0.214 nan 8.310 nan 0.000 0.472 78 L N 1.798 123.021 121.223 -0.001 0.000 2.095 78 L HA 0.137 4.477 4.340 -0.000 0.000 0.204 78 L C 2.448 179.329 176.870 0.017 0.000 1.080 78 L CA 2.167 57.011 54.840 0.006 0.000 0.759 78 L CB -1.197 40.868 42.059 0.010 0.000 0.914 78 L HN 0.437 nan 8.230 nan 0.000 0.439 79 Q N -0.774 119.038 119.800 0.021 0.000 2.014 79 Q HA -0.292 4.048 4.340 -0.000 0.000 0.207 79 Q C 2.358 178.348 176.000 -0.016 0.000 0.993 79 Q CA 2.810 58.619 55.803 0.011 0.000 0.850 79 Q CB -0.452 28.300 28.738 0.023 0.000 0.916 79 Q HN 0.621 nan 8.270 nan 0.000 0.417 80 S N 0.244 115.940 115.700 -0.006 0.000 2.368 80 S HA -0.253 4.216 4.470 -0.000 0.000 0.226 80 S C 1.480 176.101 174.600 0.034 0.000 1.044 80 S CA 1.968 60.171 58.200 0.006 0.000 1.062 80 S CB -0.653 62.547 63.200 -0.001 0.000 0.931 80 S HN 0.551 nan 8.310 nan 0.000 0.440 81 D N 0.968 121.381 120.400 0.022 0.000 2.117 81 D HA 0.002 4.642 4.640 -0.000 0.000 0.198 81 D C 1.982 178.323 176.300 0.068 0.000 0.982 81 D CA 1.241 55.261 54.000 0.034 0.000 0.828 81 D CB -0.495 40.308 40.800 0.006 0.000 0.967 81 D HN 0.507 nan 8.370 nan 0.000 0.464 82 I N 0.563 121.166 120.570 0.055 0.000 2.163 82 I HA -0.253 3.917 4.170 -0.000 0.000 0.243 82 I C 2.321 178.538 176.117 0.167 0.000 1.085 82 I CA 0.950 62.305 61.300 0.092 0.000 1.347 82 I CB -0.139 37.913 38.000 0.088 0.000 1.044 82 I HN -0.024 nan 8.210 nan 0.000 0.408 83 L N -0.683 120.573 121.223 0.055 0.000 2.341 83 L HA -0.073 4.267 4.340 -0.000 0.000 0.214 83 L C 1.028 177.909 176.870 0.018 0.000 1.115 83 L CA -0.003 54.822 54.840 -0.025 0.000 0.820 83 L CB -0.594 41.374 42.059 -0.151 0.000 0.944 83 L HN 0.270 nan 8.230 nan 0.000 0.452 84 H N 1.406 120.475 119.070 -0.001 0.000 3.091 84 H HA -0.078 4.478 4.556 -0.000 0.000 0.289 84 H C 0.339 175.674 175.328 0.012 0.000 0.995 84 H CA 0.354 56.401 56.048 -0.002 0.000 1.461 84 H CB -0.121 29.642 29.762 0.001 0.000 1.510 84 H HN 0.124 nan 8.280 nan 0.000 0.546 85 D N 2.630 122.704 120.400 -0.543 0.000 2.945 85 D HA -0.241 4.399 4.640 -0.000 0.000 0.225 85 D C 1.043 177.256 176.300 -0.144 0.000 1.158 85 D CA 0.768 54.537 54.000 -0.386 0.000 0.805 85 D CB -0.911 39.638 40.800 -0.418 0.000 1.098 85 D HN 0.811 nan 8.370 nan 0.000 0.426 86 A N 0.101 122.859 122.820 -0.103 0.000 2.084 86 A HA -0.208 4.112 4.320 -0.000 0.000 0.221 86 A C 1.683 179.230 177.584 -0.061 0.000 1.161 86 A CA 1.513 53.515 52.037 -0.058 0.000 0.653 86 A CB 0.103 18.970 19.000 -0.222 0.000 0.802 86 A HN 0.231 nan 8.150 nan 0.000 0.457 87 D N -0.738 119.617 120.400 -0.075 0.000 2.369 87 D HA 0.107 4.747 4.640 -0.000 0.000 0.211 87 D C 0.460 176.742 176.300 -0.031 0.000 1.077 87 D CA 0.223 54.191 54.000 -0.053 0.000 0.842 87 D CB 0.148 40.912 40.800 -0.060 0.000 0.947 87 D HN 0.296 nan 8.370 nan 0.000 0.509 88 S N 0.855 116.537 115.700 -0.030 0.000 2.549 88 S HA 0.018 4.488 4.470 -0.000 0.000 0.283 88 S C 1.316 175.919 174.600 0.005 0.000 1.320 88 S CA -0.379 57.812 58.200 -0.016 0.000 1.058 88 S CB 0.608 63.797 63.200 -0.018 0.000 0.882 88 S HN 0.020 nan 8.310 nan 0.000 0.498 89 N N 3.130 121.835 118.700 0.007 0.000 2.459 89 N HA -0.079 4.661 4.740 -0.000 0.000 0.181 89 N C 1.146 176.669 175.510 0.022 0.000 1.046 89 N CA 0.473 53.532 53.050 0.015 0.000 0.904 89 N CB -0.191 38.306 38.487 0.017 0.000 0.964 89 N HN 0.752 nan 8.380 nan 0.000 0.444 90 D N 0.507 120.921 120.400 0.024 0.000 2.269 90 D HA -0.093 4.547 4.640 -0.000 0.000 0.208 90 D C 0.168 176.486 176.300 0.031 0.000 0.963 90 D CA 0.010 54.027 54.000 0.029 0.000 0.864 90 D CB 0.250 41.068 40.800 0.030 0.000 0.936 90 D HN 0.064 nan 8.370 nan 0.000 0.505 91 L N 1.505 122.748 121.223 0.033 0.000 2.281 91 L HA 0.157 4.497 4.340 -0.000 0.000 0.285 91 L C 0.841 177.730 176.870 0.032 0.000 1.074 91 L CA 0.073 54.936 54.840 0.038 0.000 0.817 91 L CB 1.005 43.099 42.059 0.059 0.000 1.168 91 L HN -0.314 nan 8.230 nan 0.000 0.434 92 K N 3.988 124.399 120.400 0.019 0.000 2.399 92 K HA 0.374 4.694 4.320 -0.000 0.000 0.196 92 K C -0.541 176.055 176.600 -0.006 0.000 1.117 92 K CA 0.284 56.574 56.287 0.005 0.000 0.965 92 K CB 0.954 33.455 32.500 0.002 0.000 0.983 92 K HN 0.399 nan 8.250 nan 0.000 0.531 93 V N 1.031 120.938 119.914 -0.012 0.000 3.167 93 V HA 0.440 4.560 4.120 -0.000 0.000 0.293 93 V C -1.885 174.181 176.094 -0.048 0.000 1.379 93 V CA -0.948 61.332 62.300 -0.034 0.000 1.019 93 V CB 2.398 34.206 31.823 -0.026 0.000 1.115 93 V HN 0.019 nan 8.190 nan 0.000 0.442 94 I N 5.642 126.162 120.570 -0.083 0.000 2.406 94 I HA 0.522 4.692 4.170 -0.000 0.000 0.290 94 I C -0.716 175.376 176.117 -0.042 0.000 0.999 94 I CA -0.555 60.697 61.300 -0.080 0.000 1.124 94 I CB 1.875 39.781 38.000 -0.158 0.000 1.289 94 I HN 0.436 nan 8.210 nan 0.000 0.441 95 I N 7.000 127.562 120.570 -0.013 0.000 2.354 95 I HA 0.376 4.546 4.170 -0.000 0.000 0.292 95 I C -0.245 175.892 176.117 0.034 0.000 0.989 95 I CA -0.344 60.963 61.300 0.013 0.000 1.188 95 I CB 1.417 39.429 38.000 0.020 0.000 1.342 95 I HN 0.353 nan 8.210 nan 0.000 0.457 96 I N 6.333 126.945 120.570 0.069 0.000 2.321 96 I HA 0.320 4.490 4.170 -0.000 0.000 0.291 96 I C 0.161 176.408 176.117 0.217 0.000 0.998 96 I CA 0.121 61.493 61.300 0.120 0.000 1.227 96 I CB 1.015 39.107 38.000 0.154 0.000 1.368 96 I HN 0.650 nan 8.210 nan 0.000 0.466 97 S N 4.695 120.492 115.700 0.162 0.000 2.745 97 S HA 0.965 5.435 4.470 -0.000 0.000 0.306 97 S C -0.695 173.928 174.600 0.039 0.000 1.137 97 S CA -0.927 57.389 58.200 0.195 0.000 0.900 97 S CB 2.342 65.606 63.200 0.107 0.000 1.176 97 S HN 0.709 nan 8.310 nan 0.000 0.520 98 A N 0.040 122.878 122.820 0.029 0.000 2.520 98 A HA 0.706 5.026 4.320 -0.000 0.000 0.298 98 A C -1.021 176.541 177.584 -0.037 0.000 1.051 98 A CA -0.599 51.362 52.037 -0.126 0.000 0.690 98 A CB 1.337 20.124 19.000 -0.356 0.000 1.281 98 A HN 0.782 nan 8.150 nan 0.000 0.402 99 E N 0.812 120.973 120.200 -0.065 0.000 2.249 99 E HA 0.511 4.861 4.350 -0.000 0.000 0.280 99 E C 0.612 177.191 176.600 -0.035 0.000 1.016 99 E CA 0.994 57.373 56.400 -0.036 0.000 0.830 99 E CB 1.216 30.892 29.700 -0.040 0.000 1.081 99 E HN 1.847 nan 8.360 nan 0.000 0.395 100 G N 4.251 113.042 108.800 -0.015 0.000 2.728 100 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.294 100 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.294 100 G C -1.933 172.966 174.900 -0.001 0.000 1.342 100 G CA -0.301 44.791 45.100 -0.012 0.000 0.866 100 G HN 0.541 nan 8.290 nan 0.000 0.534 101 P HA 0.203 nan 4.420 nan 0.000 0.240 101 P C 0.503 177.804 177.300 0.002 0.000 1.190 101 P CA 0.682 63.782 63.100 -0.000 0.000 0.781 101 P CB 0.318 32.013 31.700 -0.008 0.000 0.931 102 V N 1.807 121.720 119.914 -0.000 0.000 2.333 102 V HA 0.116 4.236 4.120 -0.000 0.000 0.274 102 V C 1.378 177.490 176.094 0.030 0.000 1.028 102 V CA -0.588 61.717 62.300 0.008 0.000 0.851 102 V CB 0.399 32.215 31.823 -0.012 0.000 1.000 102 V HN -0.086 nan 8.190 nan 0.000 0.456 103 F N 3.928 123.840 119.950 -0.063 0.000 2.043 103 F HA -0.127 4.400 4.527 -0.000 0.000 0.297 103 F C 1.266 177.049 175.800 -0.028 0.000 1.118 103 F CA 2.255 60.231 58.000 -0.041 0.000 1.202 103 F CB 0.344 39.320 39.000 -0.041 0.000 0.965 103 F HN 0.557 nan 8.300 nan 0.000 0.482 104 S N -1.880 113.834 115.700 0.023 0.000 2.560 104 S HA 0.293 4.763 4.470 -0.000 0.000 0.283 104 S C 0.253 174.870 174.600 0.028 0.000 1.141 104 S CA -0.216 57.953 58.200 -0.052 0.000 0.902 104 S CB 0.885 64.022 63.200 -0.105 0.000 1.104 104 S HN 0.372 nan 8.310 nan 0.000 0.454 105 S N 2.467 118.162 115.700 -0.009 0.000 2.562 105 S HA 0.534 5.004 4.470 -0.000 0.000 0.221 105 S C 1.275 175.870 174.600 -0.009 0.000 0.975 105 S CA 0.617 58.816 58.200 -0.002 0.000 0.918 105 S CB -0.557 62.640 63.200 -0.005 0.000 0.772 105 S HN 2.141 nan 8.310 nan 0.000 0.531 106 G N 1.147 109.927 108.800 -0.033 0.000 2.582 106 G HA2 -0.113 3.846 3.960 -0.000 0.000 0.222 106 G HA3 -0.113 3.846 3.960 -0.000 0.000 0.222 106 G C -0.735 174.123 174.900 -0.071 0.000 1.311 106 G CA -0.594 44.446 45.100 -0.100 0.000 0.915 106 G HN 0.469 nan 8.290 nan 0.000 0.528 107 H N 0.577 119.676 119.070 0.048 0.000 2.913 107 H HA 0.256 4.812 4.556 -0.000 0.000 0.365 107 H C 0.371 175.712 175.328 0.021 0.000 1.155 107 H CA 0.803 56.867 56.048 0.028 0.000 1.417 107 H CB 0.574 30.360 29.762 0.040 0.000 1.386 107 H HN 0.541 nan 8.280 nan 0.000 0.614 108 D N 2.085 122.587 120.400 0.171 0.000 2.339 108 D HA 0.024 4.664 4.640 -0.000 0.000 0.241 108 D C 1.162 177.515 176.300 0.088 0.000 1.183 108 D CA -0.204 53.854 54.000 0.096 0.000 0.859 108 D CB 0.376 41.220 40.800 0.073 0.000 1.067 108 D HN 0.400 nan 8.370 nan 0.000 0.484 109 L N 3.535 124.805 121.223 0.079 0.000 2.275 109 L HA -0.127 4.213 4.340 -0.000 0.000 0.215 109 L C 2.183 179.088 176.870 0.058 0.000 1.119 109 L CA 0.772 55.654 54.840 0.069 0.000 0.790 109 L CB -0.172 41.923 42.059 0.061 0.000 0.919 109 L HN 0.333 nan 8.230 nan 0.000 0.443 110 K N 0.251 120.683 120.400 0.054 0.000 2.211 110 K HA -0.148 4.172 4.320 -0.000 0.000 0.203 110 K C 1.656 178.294 176.600 0.063 0.000 1.050 110 K CA 0.998 57.313 56.287 0.046 0.000 0.945 110 K CB -0.049 32.469 32.500 0.032 0.000 0.732 110 K HN 0.421 nan 8.250 nan 0.000 0.451 111 E N 0.500 120.758 120.200 0.097 0.000 2.427 111 E HA -0.040 4.310 4.350 -0.000 0.000 0.196 111 E C 1.194 177.941 176.600 0.245 0.000 1.028 111 E CA 0.512 57.031 56.400 0.197 0.000 0.864 111 E CB 0.191 30.028 29.700 0.228 0.000 0.813 111 E HN 0.293 nan 8.360 nan 0.000 0.514 112 L N 0.927 122.224 121.223 0.122 0.000 2.808 112 L HA 0.114 4.454 4.340 -0.000 0.000 0.246 112 L C 0.936 177.816 176.870 0.016 0.000 1.153 112 L CA -0.239 54.604 54.840 0.005 0.000 0.956 112 L CB 0.210 42.234 42.059 -0.058 0.000 1.270 112 L HN 0.028 nan 8.230 nan 0.000 0.528 113 T N -3.793 110.845 114.554 0.139 0.000 2.813 113 T HA -0.006 4.344 4.350 -0.000 0.000 0.297 113 T C 1.028 175.881 174.700 0.254 0.000 1.036 113 T CA -0.391 61.788 62.100 0.132 0.000 1.044 113 T CB 1.629 70.543 68.868 0.076 0.000 0.993 113 T HN 0.183 nan 8.240 nan 0.000 0.535 114 E N 0.584 120.886 120.200 0.169 0.000 2.153 114 E HA -0.200 4.150 4.350 -0.000 0.000 0.194 114 E C 2.042 178.694 176.600 0.086 0.000 0.988 114 E CA 1.239 57.740 56.400 0.168 0.000 0.811 114 E CB 0.001 29.760 29.700 0.098 0.000 0.746 114 E HN 0.834 nan 8.360 nan 0.000 0.466 115 E N 0.269 120.497 120.200 0.047 0.000 2.204 115 E HA -0.229 4.120 4.350 -0.000 0.000 0.195 115 E C 1.651 178.211 176.600 -0.067 0.000 0.990 115 E CA 0.764 57.157 56.400 -0.011 0.000 0.821 115 E CB -0.207 29.481 29.700 -0.021 0.000 0.750 115 E HN 0.339 nan 8.360 nan 0.000 0.477 116 Q N 0.972 120.728 119.800 -0.073 0.000 2.245 116 Q HA 0.123 4.463 4.340 -0.000 0.000 0.201 116 Q C 1.133 176.997 176.000 -0.226 0.000 0.955 116 Q CA 1.009 56.688 55.803 -0.207 0.000 0.870 116 Q CB -0.051 28.573 28.738 -0.190 0.000 0.945 116 Q HN 0.405 nan 8.270 nan 0.000 0.461 117 G N 1.558 110.201 108.800 -0.261 0.000 2.712 117 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.686 117 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.686 117 G C 0.385 174.930 174.900 -0.591 0.000 1.321 117 G CA -0.056 44.871 45.100 -0.288 0.000 0.813 117 G HN 0.324 nan 8.290 nan 0.000 0.599 118 R N -0.087 120.227 120.500 -0.309 0.000 2.152 118 R HA -0.046 4.294 4.340 -0.000 0.000 0.232 118 R C 1.345 177.599 176.300 -0.078 0.000 1.117 118 R CA 1.946 57.949 56.100 -0.162 0.000 0.981 118 R CB -0.150 30.183 30.300 0.055 0.000 0.870 118 R HN 0.495 nan 8.270 nan 0.000 0.451 119 D N 0.146 120.505 120.400 -0.069 0.000 2.149 119 D HA -0.139 4.500 4.640 -0.000 0.000 0.201 119 D C 1.567 177.871 176.300 0.006 0.000 0.972 119 D CA 0.969 54.965 54.000 -0.007 0.000 0.835 119 D CB -0.209 40.593 40.800 0.003 0.000 0.966 119 D HN 0.227 nan 8.370 nan 0.000 0.476 120 Y N 1.540 121.745 120.300 -0.158 0.000 2.145 120 Y HA -0.230 4.319 4.550 -0.000 0.000 0.286 120 Y C 2.308 178.158 175.900 -0.083 0.000 1.145 120 Y CA 1.797 59.819 58.100 -0.129 0.000 1.148 120 Y CB -0.406 37.965 38.460 -0.148 0.000 0.981 120 Y HN 0.182 nan 8.280 nan 0.000 0.507 121 H N -1.336 117.754 119.070 0.034 0.000 2.289 121 H HA -0.210 4.346 4.556 -0.000 0.000 0.296 121 H C 2.361 177.626 175.328 -0.105 0.000 1.091 121 H CA 0.754 56.754 56.048 -0.081 0.000 1.274 121 H CB -0.372 29.462 29.762 0.121 0.000 1.364 121 H HN 0.439 nan 8.280 nan 0.000 0.490 122 A N 1.103 124.029 122.820 0.176 0.000 1.917 122 A HA -0.302 4.018 4.320 -0.000 0.000 0.219 122 A C 2.204 179.790 177.584 0.004 0.000 1.182 122 A CA 2.105 54.226 52.037 0.141 0.000 0.633 122 A CB -0.613 18.447 19.000 0.100 0.000 0.819 122 A HN 0.589 nan 8.150 nan 0.000 0.448 123 E N -0.486 119.644 120.200 -0.118 0.000 2.150 123 E HA -0.106 4.244 4.350 -0.000 0.000 0.193 123 E C 1.825 178.256 176.600 -0.281 0.000 0.985 123 E CA 1.142 57.428 56.400 -0.190 0.000 0.814 123 E CB -0.085 29.461 29.700 -0.256 0.000 0.752 123 E HN 0.371 nan 8.360 nan 0.000 0.466 124 V N 0.408 120.041 119.914 -0.468 0.000 2.358 124 V HA -0.219 3.901 4.120 -0.000 0.000 0.246 124 V C 1.847 177.667 176.094 -0.458 0.000 1.047 124 V CA 1.576 63.514 62.300 -0.603 0.000 1.035 124 V CB -0.492 30.762 31.823 -0.948 0.000 0.658 124 V HN 0.277 nan 8.190 nan 0.000 0.452 125 F N 0.187 120.052 119.950 -0.142 0.000 2.234 125 F HA -0.047 4.480 4.527 -0.000 0.000 0.296 125 F C 2.555 178.349 175.800 -0.010 0.000 1.089 125 F CA 0.934 58.903 58.000 -0.051 0.000 1.343 125 F CB -0.894 38.091 39.000 -0.024 0.000 1.040 125 F HN 0.118 nan 8.300 nan 0.000 0.498 126 Q N -0.495 119.378 119.800 0.122 0.000 2.167 126 Q HA -0.127 4.213 4.340 -0.000 0.000 0.202 126 Q C 2.040 178.067 176.000 0.044 0.000 0.970 126 Q CA 1.886 57.733 55.803 0.072 0.000 0.855 126 Q CB -0.409 28.353 28.738 0.040 0.000 0.911 126 Q HN 0.329 nan 8.270 nan 0.000 0.438 127 T N -0.184 114.378 114.554 0.013 0.000 2.896 127 T HA -0.134 4.216 4.350 -0.000 0.000 0.263 127 T C 1.891 176.628 174.700 0.063 0.000 1.050 127 T CA 0.844 62.955 62.100 0.017 0.000 1.140 127 T CB -0.367 68.479 68.868 -0.036 0.000 0.877 127 T HN 0.414 nan 8.240 nan 0.000 0.457 128 C N 1.387 120.743 119.300 0.094 0.000 2.432 128 C HA -0.074 4.386 4.460 -0.000 0.000 0.277 128 C C 3.067 178.133 174.990 0.128 0.000 1.249 128 C CA 1.289 60.402 59.018 0.159 0.000 1.725 128 C CB -1.280 26.646 27.740 0.310 0.000 2.028 128 C HN 0.505 nan 8.230 nan 0.000 0.477 129 S N 0.274 116.045 115.700 0.117 0.000 2.356 129 S HA -0.178 4.291 4.470 -0.000 0.000 0.223 129 S C 1.853 176.465 174.600 0.020 0.000 1.032 129 S CA 1.460 59.701 58.200 0.068 0.000 1.005 129 S CB -0.355 62.883 63.200 0.063 0.000 0.867 129 S HN 0.668 nan 8.310 nan 0.000 0.449 130 K N 0.608 121.016 120.400 0.014 0.000 2.089 130 K HA -0.128 4.192 4.320 -0.000 0.000 0.210 130 K C 2.047 178.648 176.600 0.003 0.000 1.048 130 K CA 1.413 57.671 56.287 -0.048 0.000 0.926 130 K CB -0.496 32.019 32.500 0.026 0.000 0.714 130 K HN 0.178 nan 8.250 nan 0.000 0.448 131 V N 1.262 121.251 119.914 0.125 0.000 2.261 131 V HA -0.282 3.838 4.120 -0.000 0.000 0.246 131 V C 2.335 178.504 176.094 0.126 0.000 1.047 131 V CA 1.557 63.964 62.300 0.179 0.000 1.015 131 V CB -0.321 31.580 31.823 0.131 0.000 0.642 131 V HN 0.327 nan 8.190 nan 0.000 0.446 132 M N -1.226 118.417 119.600 0.071 0.000 2.080 132 M HA -0.178 4.302 4.480 -0.000 0.000 0.260 132 M C 2.169 178.467 176.300 -0.002 0.000 1.068 132 M CA 1.808 57.132 55.300 0.040 0.000 1.109 132 M CB -1.231 31.389 32.600 0.033 0.000 1.342 132 M HN 0.250 nan 8.290 nan 0.000 0.405 133 M N -1.009 118.563 119.600 -0.046 0.000 2.159 133 M HA -0.189 4.291 4.480 -0.000 0.000 0.263 133 M C 2.163 178.403 176.300 -0.101 0.000 1.063 133 M CA 1.557 56.788 55.300 -0.115 0.000 1.110 133 M CB -1.572 30.918 32.600 -0.183 0.000 1.374 133 M HN 0.306 nan 8.290 nan 0.000 0.411 134 H N -0.184 118.891 119.070 0.008 0.000 2.389 134 H HA 0.062 4.618 4.556 -0.000 0.000 0.299 134 H C 2.267 177.641 175.328 0.077 0.000 1.081 134 H CA 1.269 57.336 56.048 0.031 0.000 1.345 134 H CB -0.229 29.564 29.762 0.052 0.000 1.393 134 H HN 0.359 nan 8.280 nan 0.000 0.520 135 I N 0.538 121.219 120.570 0.186 0.000 2.127 135 I HA -0.299 3.871 4.170 -0.000 0.000 0.241 135 I C 2.833 178.975 176.117 0.042 0.000 1.075 135 I CA 1.352 62.724 61.300 0.120 0.000 1.334 135 I CB -0.187 37.852 38.000 0.063 0.000 1.040 135 I HN 0.083 nan 8.210 nan 0.000 0.405 136 R N 1.742 122.197 120.500 -0.075 0.000 2.112 136 R HA -0.210 4.130 4.340 -0.000 0.000 0.242 136 R C 1.612 177.775 176.300 -0.229 0.000 1.137 136 R CA 2.125 58.046 56.100 -0.299 0.000 0.944 136 R CB -0.429 29.666 30.300 -0.342 0.000 0.857 136 R HN 0.325 nan 8.270 nan 0.000 0.435 137 N N 0.265 118.918 118.700 -0.079 0.000 2.383 137 N HA -0.072 4.668 4.740 -0.000 0.000 0.192 137 N C -0.403 175.141 175.510 0.057 0.000 1.141 137 N CA 0.175 53.218 53.050 -0.013 0.000 0.851 137 N CB -0.224 38.248 38.487 -0.024 0.000 0.976 137 N HN 0.332 nan 8.380 nan 0.000 0.465 138 H N 1.417 120.501 119.070 0.025 0.000 2.790 138 H HA 0.062 4.618 4.556 -0.000 0.000 0.358 138 H C -1.382 173.968 175.328 0.038 0.000 1.103 138 H CA -0.891 55.181 56.048 0.041 0.000 1.426 138 H CB 1.491 31.276 29.762 0.037 0.000 1.424 138 H HN -0.093 nan 8.280 nan 0.000 0.599 139 P HA -0.117 nan 4.420 nan 0.000 0.220 139 P C 0.017 177.433 177.300 0.192 0.000 1.148 139 P CA 1.111 64.263 63.100 0.087 0.000 0.803 139 P CB 0.231 31.923 31.700 -0.014 0.000 0.782 140 V N -6.814 113.328 119.914 0.380 0.000 3.113 140 V HA 0.700 4.820 4.120 -0.000 0.000 0.316 140 V C -2.964 173.173 176.094 0.072 0.000 1.125 140 V CA -3.189 59.201 62.300 0.149 0.000 1.026 140 V CB 1.538 33.412 31.823 0.086 0.000 1.080 140 V HN -0.330 nan 8.190 nan 0.000 0.444 141 P HA 0.418 nan 4.420 nan 0.000 0.274 141 P C -1.022 176.242 177.300 -0.060 0.000 1.231 141 P CA -0.133 62.960 63.100 -0.013 0.000 0.790 141 P CB 0.971 32.654 31.700 -0.028 0.000 0.951 142 V N 4.041 123.928 119.914 -0.045 0.000 2.487 142 V HA 0.417 4.537 4.120 -0.000 0.000 0.298 142 V C 0.145 176.225 176.094 -0.023 0.000 1.028 142 V CA -0.433 61.833 62.300 -0.056 0.000 0.860 142 V CB 1.448 33.236 31.823 -0.060 0.000 0.991 142 V HN 0.382 nan 8.190 nan 0.000 0.427 143 I N 3.611 124.170 120.570 -0.018 0.000 2.404 143 I HA 0.711 4.881 4.170 -0.000 0.000 0.293 143 I C 0.441 176.564 176.117 0.011 0.000 0.992 143 I CA -0.557 60.737 61.300 -0.010 0.000 1.149 143 I CB 1.916 39.909 38.000 -0.012 0.000 1.315 143 I HN 0.697 nan 8.210 nan 0.000 0.446 144 A N 7.579 130.398 122.820 -0.003 0.000 2.301 144 A HA 0.674 4.994 4.320 -0.000 0.000 0.298 144 A C -0.458 177.118 177.584 -0.014 0.000 1.185 144 A CA -0.458 51.578 52.037 -0.002 0.000 0.830 144 A CB 0.805 19.749 19.000 -0.093 0.000 1.112 144 A HN 0.803 nan 8.150 nan 0.000 0.508 145 M N 4.223 123.849 119.600 0.044 0.000 2.114 145 M HA 0.530 5.010 4.480 -0.000 0.000 0.332 145 M C -1.812 174.528 176.300 0.067 0.000 1.014 145 M CA -0.395 54.933 55.300 0.046 0.000 0.956 145 M CB 0.987 33.630 32.600 0.072 0.000 1.551 145 M HN 0.371 nan 8.290 nan 0.000 0.427 146 V N 4.786 124.693 119.914 -0.011 0.000 2.487 146 V HA 0.456 4.576 4.120 -0.000 0.000 0.298 146 V C -0.546 175.565 176.094 0.030 0.000 1.028 146 V CA -0.696 61.573 62.300 -0.050 0.000 0.860 146 V CB 1.677 33.393 31.823 -0.179 0.000 0.991 146 V HN 0.858 nan 8.190 nan 0.000 0.427 147 N N 3.306 122.050 118.700 0.073 0.000 2.765 147 N HA 0.611 5.351 4.740 -0.000 0.000 0.277 147 N C -0.029 175.494 175.510 0.023 0.000 1.750 147 N CA 0.806 53.880 53.050 0.039 0.000 0.827 147 N CB 1.094 39.611 38.487 0.049 0.000 1.200 147 N HN 1.039 nan 8.380 nan 0.000 0.494 148 G N 0.178 108.953 108.800 -0.040 0.000 2.366 148 G HA2 0.046 4.006 3.960 -0.000 0.000 0.190 148 G HA3 0.046 4.006 3.960 -0.000 0.000 0.190 148 G C -1.884 172.907 174.900 -0.182 0.000 1.299 148 G CA -0.822 44.232 45.100 -0.077 0.000 1.056 148 G HN 0.281 nan 8.290 nan 0.000 0.468 149 L N 1.712 122.861 121.223 -0.123 0.000 2.290 149 L HA 0.800 5.140 4.340 -0.000 0.000 0.284 149 L C 0.579 177.391 176.870 -0.096 0.000 1.078 149 L CA 0.134 54.867 54.840 -0.178 0.000 0.815 149 L CB 0.817 42.817 42.059 -0.097 0.000 1.162 149 L HN 1.512 nan 8.230 nan 0.000 0.435 150 A N 3.569 126.259 122.820 -0.217 0.000 2.293 150 A HA 0.671 4.991 4.320 -0.000 0.000 0.312 150 A C -0.195 177.402 177.584 0.021 0.000 1.309 150 A CA -0.108 51.933 52.037 0.006 0.000 0.839 150 A CB 0.324 19.343 19.000 0.030 0.000 1.155 150 A HN 0.756 nan 8.150 nan 0.000 0.501 151 T N -0.044 114.534 114.554 0.040 0.000 2.856 151 T HA 0.794 5.144 4.350 -0.000 0.000 0.283 151 T C 0.574 175.284 174.700 0.017 0.000 1.008 151 T CA 0.497 62.608 62.100 0.020 0.000 0.997 151 T CB 1.404 70.270 68.868 -0.005 0.000 0.992 151 T HN 2.539 nan 8.240 nan 0.000 0.454 152 A N 2.578 125.399 122.820 0.002 0.000 5.479 152 A HA -0.063 4.257 4.320 -0.000 0.000 0.301 152 A C 2.018 179.586 177.584 -0.027 0.000 1.961 152 A CA 1.562 53.587 52.037 -0.020 0.000 0.716 152 A CB -2.119 16.868 19.000 -0.022 0.000 1.266 152 A HN 2.393 nan 8.150 nan 0.000 0.372 153 A N -1.266 121.494 122.820 -0.099 0.000 2.084 153 A HA 0.189 4.509 4.320 -0.000 0.000 0.221 153 A C 2.709 180.275 177.584 -0.030 0.000 1.161 153 A CA 2.504 54.456 52.037 -0.143 0.000 0.653 153 A CB -1.458 17.242 19.000 -0.500 0.000 0.802 153 A HN 2.426 nan 8.150 nan 0.000 0.457 154 G N -1.491 107.323 108.800 0.023 0.000 2.421 154 G HA2 -0.212 3.747 3.960 -0.000 0.000 0.217 154 G HA3 -0.212 3.747 3.960 -0.000 0.000 0.217 154 G C 1.670 176.708 174.900 0.229 0.000 1.143 154 G CA 1.085 46.288 45.100 0.171 0.000 0.784 154 G HN 0.572 nan 8.290 nan 0.000 0.541 155 C N -0.102 119.284 119.300 0.144 0.000 2.457 155 C HA 0.017 4.477 4.460 -0.000 0.000 0.278 155 C C 2.716 177.757 174.990 0.085 0.000 1.309 155 C CA 1.498 60.606 59.018 0.150 0.000 1.735 155 C CB -0.779 27.042 27.740 0.135 0.000 1.992 155 C HN 0.583 nan 8.230 nan 0.000 0.493 156 Q N -0.193 119.643 119.800 0.059 0.000 2.112 156 Q HA -0.265 4.075 4.340 -0.000 0.000 0.206 156 Q C 2.130 178.165 176.000 0.058 0.000 0.987 156 Q CA 2.141 57.969 55.803 0.042 0.000 0.858 156 Q CB -0.312 28.444 28.738 0.031 0.000 0.905 156 Q HN 0.689 nan 8.270 nan 0.000 0.420 157 L N 0.012 121.294 121.223 0.098 0.000 2.027 157 L HA -0.130 4.210 4.340 -0.000 0.000 0.206 157 L C 2.204 179.137 176.870 0.104 0.000 1.074 157 L CA 1.410 56.330 54.840 0.133 0.000 0.745 157 L CB -0.678 41.515 42.059 0.223 0.000 0.898 157 L HN 0.090 nan 8.230 nan 0.000 0.433 158 V N 0.487 120.438 119.914 0.062 0.000 2.282 158 V HA -0.340 3.780 4.120 -0.000 0.000 0.249 158 V C 2.790 178.853 176.094 -0.051 0.000 1.057 158 V CA 1.904 64.165 62.300 -0.066 0.000 1.032 158 V CB -1.579 30.165 31.823 -0.131 0.000 0.645 158 V HN 0.623 nan 8.190 nan 0.000 0.447 159 A N -0.892 121.907 122.820 -0.034 0.000 2.067 159 A HA -0.119 4.201 4.320 -0.000 0.000 0.219 159 A C 2.345 179.928 177.584 -0.003 0.000 1.158 159 A CA 1.741 53.754 52.037 -0.039 0.000 0.661 159 A CB -0.403 18.575 19.000 -0.037 0.000 0.801 159 A HN 0.510 nan 8.150 nan 0.000 0.452 160 S N -1.162 114.547 115.700 0.015 0.000 2.496 160 S HA 0.028 4.498 4.470 -0.000 0.000 0.224 160 S C 0.715 175.332 174.600 0.028 0.000 0.996 160 S CA -0.115 58.099 58.200 0.023 0.000 0.927 160 S CB -0.465 62.752 63.200 0.029 0.000 0.774 160 S HN 0.617 nan 8.310 nan 0.000 0.524 161 C N 3.000 122.314 119.300 0.024 0.000 2.657 161 C HA 0.137 4.597 4.460 -0.000 0.000 0.404 161 C C 1.770 176.780 174.990 0.033 0.000 1.291 161 C CA -0.777 58.255 59.018 0.023 0.000 2.218 161 C CB 0.156 27.901 27.740 0.010 0.000 2.687 161 C HN 0.508 nan 8.230 nan 0.000 0.634 162 D N 0.720 121.147 120.400 0.045 0.000 2.117 162 D HA 0.002 4.642 4.640 -0.000 0.000 0.197 162 D C 0.409 176.697 176.300 -0.020 0.000 0.987 162 D CA 1.596 55.625 54.000 0.047 0.000 0.829 162 D CB 0.197 41.020 40.800 0.038 0.000 0.961 162 D HN 0.517 nan 8.370 nan 0.000 0.460 163 I N -0.281 120.271 120.570 -0.029 0.000 2.686 163 I HA 0.473 4.643 4.170 -0.000 0.000 0.295 163 I C -1.051 175.038 176.117 -0.047 0.000 1.114 163 I CA -0.944 60.327 61.300 -0.048 0.000 1.038 163 I CB 2.509 40.478 38.000 -0.052 0.000 1.238 163 I HN -0.228 nan 8.210 nan 0.000 0.420 164 A N 5.670 128.452 122.820 -0.063 0.000 2.375 164 A HA 0.788 5.108 4.320 -0.000 0.000 0.295 164 A C -1.293 176.250 177.584 -0.069 0.000 1.066 164 A CA -0.471 51.520 52.037 -0.077 0.000 0.722 164 A CB 1.535 20.465 19.000 -0.116 0.000 1.206 164 A HN 0.370 nan 8.150 nan 0.000 0.435 165 V N 1.631 121.517 119.914 -0.047 0.000 2.444 165 V HA 0.797 4.917 4.120 -0.000 0.000 0.294 165 V C 0.384 176.474 176.094 -0.007 0.000 1.022 165 V CA -0.150 62.134 62.300 -0.026 0.000 0.850 165 V CB 1.185 32.999 31.823 -0.014 0.000 0.992 165 V HN 1.323 nan 8.190 nan 0.000 0.426 166 A N 3.426 126.257 122.820 0.017 0.000 2.384 166 A HA 0.928 5.248 4.320 -0.000 0.000 0.312 166 A C 0.133 177.746 177.584 0.048 0.000 1.113 166 A CA -0.494 51.580 52.037 0.061 0.000 0.779 166 A CB 1.732 20.846 19.000 0.190 0.000 1.307 166 A HN 0.976 nan 8.150 nan 0.000 0.436 167 S N -0.146 115.580 115.700 0.042 0.000 2.617 167 S HA 0.309 4.779 4.470 -0.000 0.000 0.269 167 S C 0.416 175.036 174.600 0.034 0.000 1.292 167 S CA 0.246 58.463 58.200 0.029 0.000 1.010 167 S CB 0.954 64.165 63.200 0.018 0.000 0.944 167 S HN 0.759 nan 8.310 nan 0.000 0.536 168 D N 0.177 120.591 120.400 0.024 0.000 2.312 168 D HA -0.167 4.473 4.640 -0.000 0.000 0.211 168 D C 1.367 177.679 176.300 0.020 0.000 0.964 168 D CA 0.916 54.931 54.000 0.026 0.000 0.877 168 D CB -0.270 40.540 40.800 0.017 0.000 0.924 168 D HN 0.793 nan 8.370 nan 0.000 0.515 169 K N 0.084 120.487 120.400 0.006 0.000 2.459 169 K HA 0.105 4.425 4.320 -0.000 0.000 0.193 169 K C 0.290 176.867 176.600 -0.038 0.000 1.030 169 K CA -0.157 56.124 56.287 -0.010 0.000 1.026 169 K CB 0.162 32.655 32.500 -0.012 0.000 0.809 169 K HN -0.095 nan 8.250 nan 0.000 0.504 170 S N 1.094 116.768 115.700 -0.044 0.000 2.584 170 S HA 0.187 4.657 4.470 -0.000 0.000 0.270 170 S C -0.089 174.365 174.600 -0.244 0.000 1.346 170 S CA -0.302 57.800 58.200 -0.163 0.000 1.018 170 S CB 1.086 64.206 63.200 -0.133 0.000 0.899 170 S HN 0.575 nan 8.310 nan 0.000 0.542 171 S N 0.232 115.573 115.700 -0.597 0.000 2.596 171 S HA 0.809 5.279 4.470 -0.000 0.000 0.270 171 S C -1.655 172.320 174.600 -1.041 0.000 1.155 171 S CA -0.961 56.908 58.200 -0.551 0.000 0.827 171 S CB 0.770 63.863 63.200 -0.178 0.000 1.130 171 S HN 0.433 nan 8.310 nan 0.000 0.467 172 F N 0.063 120.001 119.950 -0.020 0.000 2.574 172 F HA 0.862 5.389 4.527 -0.000 0.000 0.313 172 F C 0.180 175.965 175.800 -0.024 0.000 1.130 172 F CA -0.467 57.517 58.000 -0.027 0.000 0.936 172 F CB 2.180 41.157 39.000 -0.039 0.000 1.219 172 F HN 1.091 nan 8.300 nan 0.000 0.445 173 A N 0.721 123.595 122.820 0.090 0.000 2.556 173 A HA 0.849 5.168 4.320 -0.000 0.000 0.294 173 A C -0.681 176.911 177.584 0.012 0.000 1.091 173 A CA -0.762 51.297 52.037 0.036 0.000 0.704 173 A CB 1.605 20.605 19.000 0.001 0.000 1.300 173 A HN 0.810 nan 8.150 nan 0.000 0.406 174 T N -0.473 114.062 114.554 -0.033 0.000 3.401 174 T HA 0.528 4.878 4.350 -0.000 0.000 0.341 174 T C -2.603 172.024 174.700 -0.121 0.000 1.674 174 T CA -1.208 60.843 62.100 -0.082 0.000 1.600 174 T CB 0.776 69.572 68.868 -0.119 0.000 0.974 174 T HN 0.327 nan 8.240 nan 0.000 0.672 175 P HA 0.239 nan 4.420 nan 0.000 0.249 175 P C 1.604 178.863 177.300 -0.068 0.000 1.583 175 P CA -0.253 62.806 63.100 -0.068 0.000 0.988 175 P CB -0.152 31.529 31.700 -0.031 0.000 1.530 176 G N 1.487 110.227 108.800 -0.101 0.000 2.469 176 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.220 176 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.220 176 G C 1.500 176.378 174.900 -0.036 0.000 1.136 176 G CA 1.305 46.369 45.100 -0.060 0.000 0.759 176 G HN 0.272 nan 8.290 nan 0.000 0.562 177 V N 0.238 120.104 119.914 -0.080 0.000 2.324 177 V HA -0.281 3.839 4.120 -0.000 0.000 0.250 177 V C 2.396 178.513 176.094 0.039 0.000 1.060 177 V CA 2.141 64.453 62.300 0.021 0.000 1.042 177 V CB -0.809 31.042 31.823 0.047 0.000 0.650 177 V HN 0.250 nan 8.190 nan 0.000 0.450 178 N N 1.450 120.160 118.700 0.015 0.000 2.223 178 N HA -0.087 4.653 4.740 -0.000 0.000 0.185 178 N C 1.490 177.015 175.510 0.025 0.000 1.016 178 N CA 1.951 55.013 53.050 0.020 0.000 0.863 178 N CB -0.364 38.129 38.487 0.010 0.000 0.983 178 N HN 0.743 nan 8.380 nan 0.000 0.429 179 V N -3.358 116.573 119.914 0.027 0.000 3.099 179 V HA 0.570 4.690 4.120 -0.000 0.000 0.356 179 V C 1.065 177.185 176.094 0.044 0.000 1.364 179 V CA 0.119 62.440 62.300 0.034 0.000 1.229 179 V CB -0.155 31.689 31.823 0.035 0.000 1.227 179 V HN 0.249 nan 8.190 nan 0.000 0.493 180 G N 0.946 109.777 108.800 0.052 0.000 2.155 180 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.257 180 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.257 180 G C -0.255 174.693 174.900 0.080 0.000 0.983 180 G CA 0.580 45.719 45.100 0.064 0.000 0.676 180 G HN 1.070 nan 8.290 nan 0.000 0.528 181 L N 0.706 121.976 121.223 0.079 0.000 2.433 181 L HA 0.729 5.069 4.340 -0.000 0.000 0.256 181 L C 0.191 177.123 176.870 0.103 0.000 1.063 181 L CA -1.670 53.225 54.840 0.092 0.000 0.922 181 L CB 0.213 42.323 42.059 0.085 0.000 1.238 181 L HN 0.155 nan 8.230 nan 0.000 0.466 182 F N 3.633 123.594 119.950 0.018 0.000 2.604 182 F HA -0.101 4.426 4.527 -0.000 0.000 0.390 182 F C 1.126 176.922 175.800 -0.006 0.000 1.053 182 F CA 0.595 58.606 58.000 0.018 0.000 1.256 182 F CB 0.444 39.458 39.000 0.024 0.000 0.996 182 F HN 0.516 nan 8.300 nan 0.000 0.564 183 C N 6.335 125.444 119.300 -0.320 0.000 3.585 183 C HA 0.006 4.466 4.460 -0.000 0.000 0.575 183 C C 1.884 176.877 174.990 0.004 0.000 1.068 183 C CA 0.252 59.177 59.018 -0.154 0.000 1.113 183 C CB -2.450 25.153 27.740 -0.229 0.000 1.381 183 C HN 0.930 nan 8.230 nan 0.000 0.635 184 S N 1.307 117.095 115.700 0.146 0.000 2.371 184 S HA -0.133 4.336 4.470 -0.000 0.000 0.224 184 S C 2.186 176.810 174.600 0.039 0.000 1.029 184 S CA 1.973 60.264 58.200 0.152 0.000 0.978 184 S CB -0.155 63.101 63.200 0.093 0.000 0.833 184 S HN 0.928 nan 8.310 nan 0.000 0.466 185 T N 0.590 115.142 114.554 -0.003 0.000 2.857 185 T HA 0.035 4.385 4.350 -0.000 0.000 0.266 185 T C -0.959 173.757 174.700 0.027 0.000 1.048 185 T CA 0.713 62.820 62.100 0.012 0.000 1.139 185 T CB -1.792 67.096 68.868 0.033 0.000 0.874 185 T HN 0.276 nan 8.240 nan 0.000 0.455 186 P HA 0.053 nan 4.420 nan 0.000 0.217 186 P C 1.986 179.283 177.300 -0.005 0.000 1.150 186 P CA 1.331 64.434 63.100 0.006 0.000 0.832 186 P CB -0.758 30.934 31.700 -0.013 0.000 0.787 187 G N -0.020 108.775 108.800 -0.008 0.000 2.517 187 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.222 187 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.222 187 G C 1.597 176.497 174.900 -0.001 0.000 1.109 187 G CA 0.811 45.907 45.100 -0.006 0.000 0.746 187 G HN 0.170 nan 8.290 nan 0.000 0.576 188 V N 1.352 121.271 119.914 0.007 0.000 2.233 188 V HA -0.169 3.951 4.120 -0.000 0.000 0.247 188 V C 3.311 179.408 176.094 0.005 0.000 1.050 188 V CA 2.260 64.564 62.300 0.006 0.000 1.010 188 V CB -0.987 30.841 31.823 0.008 0.000 0.637 188 V HN 0.492 nan 8.190 nan 0.000 0.444 189 A N -0.571 122.253 122.820 0.006 0.000 1.898 189 A HA -0.174 4.145 4.320 -0.000 0.000 0.216 189 A C 2.146 179.727 177.584 -0.005 0.000 1.181 189 A CA 2.000 54.041 52.037 0.006 0.000 0.620 189 A CB -0.601 18.405 19.000 0.010 0.000 0.819 189 A HN 0.435 nan 8.150 nan 0.000 0.442 190 L N -0.257 120.956 121.223 -0.016 0.000 2.083 190 L HA -0.035 4.305 4.340 -0.000 0.000 0.209 190 L C 2.673 179.524 176.870 -0.031 0.000 1.083 190 L CA 1.976 56.797 54.840 -0.032 0.000 0.752 190 L CB -0.657 41.377 42.059 -0.041 0.000 0.899 190 L HN 0.347 nan 8.230 nan 0.000 0.433 191 A N -0.685 122.120 122.820 -0.024 0.000 2.019 191 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 191 A C 2.274 179.852 177.584 -0.011 0.000 1.164 191 A CA 1.566 53.590 52.037 -0.023 0.000 0.644 191 A CB -0.490 18.499 19.000 -0.018 0.000 0.805 191 A HN 0.499 nan 8.150 nan 0.000 0.449 192 R N -1.187 119.313 120.500 -0.000 0.000 2.317 192 R HA 0.334 4.674 4.340 -0.000 0.000 0.208 192 R C 1.656 177.967 176.300 0.018 0.000 0.914 192 R CA 0.577 56.687 56.100 0.017 0.000 1.060 192 R CB 0.073 30.394 30.300 0.036 0.000 1.015 192 R HN 0.481 nan 8.270 nan 0.000 0.498 193 A N 0.327 123.146 122.820 -0.003 0.000 1.984 193 A HA 0.193 4.513 4.320 -0.000 0.000 0.203 193 A C 0.777 178.351 177.584 -0.015 0.000 1.292 193 A CA 0.258 52.286 52.037 -0.015 0.000 0.782 193 A CB 0.472 19.447 19.000 -0.043 0.000 0.924 193 A HN 0.072 nan 8.150 nan 0.000 0.475 194 V N -3.817 116.083 119.914 -0.024 0.000 3.113 194 V HA 0.682 4.801 4.120 -0.000 0.000 0.316 194 V C -3.247 172.824 176.094 -0.039 0.000 1.125 194 V CA -2.782 59.503 62.300 -0.025 0.000 1.026 194 V CB 1.019 32.813 31.823 -0.049 0.000 1.080 194 V HN 0.065 nan 8.190 nan 0.000 0.444 195 P HA 0.410 nan 4.420 nan 0.000 0.272 195 P C 0.392 177.647 177.300 -0.075 0.000 1.230 195 P CA -0.268 62.798 63.100 -0.056 0.000 0.788 195 P CB 0.528 32.188 31.700 -0.066 0.000 0.949 196 R N 1.081 121.549 120.500 -0.053 0.000 2.091 196 R HA -0.152 4.188 4.340 -0.000 0.000 0.238 196 R C 1.827 178.090 176.300 -0.063 0.000 1.136 196 R CA 1.349 57.417 56.100 -0.052 0.000 0.959 196 R CB -0.326 29.956 30.300 -0.030 0.000 0.856 196 R HN 0.396 nan 8.270 nan 0.000 0.437 197 K N 0.336 120.700 120.400 -0.061 0.000 2.147 197 K HA -0.075 4.245 4.320 -0.000 0.000 0.205 197 K C 2.060 178.606 176.600 -0.090 0.000 1.049 197 K CA 1.035 57.289 56.287 -0.055 0.000 0.936 197 K CB -0.119 32.352 32.500 -0.048 0.000 0.722 197 K HN 0.112 nan 8.250 nan 0.000 0.446 198 V N 1.059 120.880 119.914 -0.155 0.000 2.346 198 V HA -0.129 3.991 4.120 -0.000 0.000 0.244 198 V C 2.462 178.478 176.094 -0.131 0.000 1.037 198 V CA 1.694 63.878 62.300 -0.194 0.000 1.029 198 V CB -0.761 30.846 31.823 -0.360 0.000 0.663 198 V HN 0.219 nan 8.190 nan 0.000 0.454 199 A N -0.081 122.667 122.820 -0.120 0.000 1.902 199 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 199 A C 2.222 179.718 177.584 -0.148 0.000 1.181 199 A CA 1.788 53.758 52.037 -0.113 0.000 0.623 199 A CB -0.560 18.382 19.000 -0.096 0.000 0.818 199 A HN 0.492 nan 8.150 nan 0.000 0.443 200 L N -1.124 120.005 121.223 -0.157 0.000 2.217 200 L HA -0.110 4.230 4.340 -0.000 0.000 0.211 200 L C 2.595 179.369 176.870 -0.161 0.000 1.107 200 L CA 1.334 56.012 54.840 -0.270 0.000 0.783 200 L CB -0.340 41.613 42.059 -0.176 0.000 0.919 200 L HN 0.566 nan 8.230 nan 0.000 0.442 201 E N 0.257 120.435 120.200 -0.036 0.000 2.106 201 E HA -0.209 4.141 4.350 -0.000 0.000 0.192 201 E C 2.322 178.922 176.600 0.001 0.000 0.984 201 E CA 0.917 57.338 56.400 0.036 0.000 0.806 201 E CB 0.084 29.798 29.700 0.022 0.000 0.750 201 E HN 0.429 nan 8.360 nan 0.000 0.458 202 M N 0.184 119.750 119.600 -0.057 0.000 2.086 202 M HA -0.190 4.290 4.480 -0.000 0.000 0.261 202 M C 2.311 178.542 176.300 -0.115 0.000 1.067 202 M CA 1.405 56.666 55.300 -0.066 0.000 1.116 202 M CB -0.150 32.408 32.600 -0.069 0.000 1.348 202 M HN 0.171 nan 8.290 nan 0.000 0.407 203 L N -1.405 119.694 121.223 -0.206 0.000 2.156 203 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 203 L C 2.092 178.805 176.870 -0.261 0.000 1.095 203 L CA 0.733 55.353 54.840 -0.367 0.000 0.770 203 L CB -0.382 41.427 42.059 -0.417 0.000 0.914 203 L HN 0.181 nan 8.230 nan 0.000 0.439 204 F N -0.547 119.405 119.950 0.002 0.000 2.416 204 F HA -0.064 4.463 4.527 -0.000 0.000 0.296 204 F C 2.638 178.452 175.800 0.025 0.000 1.099 204 F CA 1.294 59.344 58.000 0.084 0.000 1.427 204 F CB -0.881 38.184 39.000 0.108 0.000 1.079 204 F HN 0.145 nan 8.300 nan 0.000 0.536 205 T N -4.495 110.155 114.554 0.158 0.000 2.971 205 T HA 0.374 4.724 4.350 -0.000 0.000 0.252 205 T C 1.827 176.545 174.700 0.030 0.000 1.022 205 T CA 0.681 62.834 62.100 0.089 0.000 0.980 205 T CB 0.241 69.156 68.868 0.080 0.000 1.044 205 T HN 0.338 nan 8.240 nan 0.000 0.501 206 G N 1.662 110.456 108.800 -0.009 0.000 2.189 206 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.267 206 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.267 206 G C -0.093 174.801 174.900 -0.010 0.000 0.975 206 G CA 0.331 45.414 45.100 -0.029 0.000 0.644 206 G HN 0.626 nan 8.290 nan 0.000 0.537 207 E N 1.517 121.720 120.200 0.004 0.000 2.354 207 E HA 0.348 4.698 4.350 -0.000 0.000 0.269 207 E C -1.839 174.770 176.600 0.015 0.000 1.036 207 E CA -1.469 54.937 56.400 0.011 0.000 0.876 207 E CB 0.970 30.681 29.700 0.019 0.000 1.009 207 E HN 0.334 nan 8.360 nan 0.000 0.416 208 P HA 0.238 nan 4.420 nan 0.000 0.276 208 P C -0.019 177.316 177.300 0.057 0.000 1.244 208 P CA -0.289 62.830 63.100 0.032 0.000 0.801 208 P CB 0.664 32.368 31.700 0.007 0.000 1.006 209 I N -1.591 119.042 120.570 0.106 0.000 2.707 209 I HA 0.559 4.729 4.170 -0.000 0.000 0.309 209 I C 0.347 176.567 176.117 0.173 0.000 1.001 209 I CA -1.010 60.367 61.300 0.129 0.000 1.129 209 I CB 1.963 40.045 38.000 0.137 0.000 1.308 209 I HN 0.309 nan 8.210 nan 0.000 0.466 210 S N 3.446 119.228 115.700 0.137 0.000 2.645 210 S HA 0.525 4.995 4.470 -0.000 0.000 0.266 210 S C 1.108 175.834 174.600 0.210 0.000 1.258 210 S CA -0.127 58.153 58.200 0.135 0.000 0.990 210 S CB 1.538 64.783 63.200 0.075 0.000 0.967 210 S HN 0.953 nan 8.310 nan 0.000 0.556 211 A N 0.527 123.473 122.820 0.209 0.000 1.930 211 A HA -0.027 4.292 4.320 -0.000 0.000 0.217 211 A C 2.253 179.892 177.584 0.091 0.000 1.175 211 A CA 1.454 53.643 52.037 0.253 0.000 0.627 211 A CB -1.183 17.948 19.000 0.218 0.000 0.815 211 A HN 0.834 nan 8.150 nan 0.000 0.443 212 Q N 0.180 120.013 119.800 0.056 0.000 2.014 212 Q HA -0.229 4.111 4.340 -0.000 0.000 0.207 212 Q C 1.928 177.915 176.000 -0.021 0.000 0.993 212 Q CA 2.385 58.193 55.803 0.008 0.000 0.850 212 Q CB -0.346 28.396 28.738 0.007 0.000 0.916 212 Q HN 0.808 nan 8.270 nan 0.000 0.417 213 E N -0.043 120.165 120.200 0.014 0.000 2.110 213 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 213 E C 1.936 178.546 176.600 0.017 0.000 0.988 213 E CA 0.939 57.349 56.400 0.016 0.000 0.804 213 E CB -0.266 29.504 29.700 0.116 0.000 0.745 213 E HN 0.410 nan 8.360 nan 0.000 0.458 214 A N 1.163 123.989 122.820 0.010 0.000 1.908 214 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 214 A C 2.179 179.683 177.584 -0.135 0.000 1.181 214 A CA 1.221 53.191 52.037 -0.111 0.000 0.627 214 A CB -0.540 18.262 19.000 -0.331 0.000 0.818 214 A HN 0.232 nan 8.150 nan 0.000 0.445 215 L N -0.405 120.752 121.223 -0.111 0.000 2.005 215 L HA -0.069 4.271 4.340 -0.000 0.000 0.207 215 L C 2.335 179.126 176.870 -0.131 0.000 1.072 215 L CA 1.983 56.759 54.840 -0.108 0.000 0.744 215 L CB -0.492 41.521 42.059 -0.076 0.000 0.895 215 L HN 0.486 nan 8.230 nan 0.000 0.433 216 L N -1.106 120.003 121.223 -0.191 0.000 2.043 216 L HA -0.275 4.065 4.340 -0.000 0.000 0.212 216 L C 1.958 178.610 176.870 -0.364 0.000 1.075 216 L CA 1.657 56.310 54.840 -0.313 0.000 0.752 216 L CB -0.540 41.255 42.059 -0.440 0.000 0.891 216 L HN 0.486 nan 8.230 nan 0.000 0.432 217 H N -0.677 118.363 119.070 -0.049 0.000 2.539 217 H HA 0.229 4.785 4.556 -0.000 0.000 0.269 217 H C 1.545 176.836 175.328 -0.061 0.000 0.980 217 H CA 0.716 56.734 56.048 -0.049 0.000 1.152 217 H CB 0.618 30.352 29.762 -0.047 0.000 1.407 217 H HN 0.588 nan 8.280 nan 0.000 0.564 218 G N 1.193 109.992 108.800 -0.002 0.000 2.159 218 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.227 218 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.227 218 G C 1.091 175.949 174.900 -0.069 0.000 0.986 218 G CA 0.471 45.552 45.100 -0.031 0.000 0.651 218 G HN 0.382 nan 8.290 nan 0.000 0.523 219 L N 0.076 121.229 121.223 -0.116 0.000 2.156 219 L HA 0.477 4.817 4.340 -0.000 0.000 0.208 219 L C 1.157 177.881 176.870 -0.244 0.000 1.095 219 L CA 1.533 56.253 54.840 -0.200 0.000 0.770 219 L CB -0.095 41.776 42.059 -0.313 0.000 0.914 219 L HN 0.375 nan 8.230 nan 0.000 0.439 220 L N -1.683 119.399 121.223 -0.235 0.000 2.333 220 L HA 0.353 4.693 4.340 -0.000 0.000 0.269 220 L C 1.291 178.090 176.870 -0.119 0.000 1.010 220 L CA -0.446 54.277 54.840 -0.195 0.000 0.818 220 L CB 1.695 43.630 42.059 -0.207 0.000 1.306 220 L HN -0.236 nan 8.230 nan 0.000 0.430 221 S N -0.058 115.586 115.700 -0.093 0.000 2.388 221 S HA 0.126 4.596 4.470 -0.000 0.000 0.223 221 S C 0.358 174.923 174.600 -0.058 0.000 1.034 221 S CA 0.811 58.969 58.200 -0.070 0.000 0.963 221 S CB 0.092 63.254 63.200 -0.063 0.000 0.827 221 S HN 0.420 nan 8.310 nan 0.000 0.481 222 K N 0.731 121.099 120.400 -0.053 0.000 2.502 222 K HA 0.635 4.955 4.320 -0.000 0.000 0.257 222 K C -1.546 175.039 176.600 -0.025 0.000 0.938 222 K CA -0.407 55.859 56.287 -0.035 0.000 0.819 222 K CB 2.534 35.018 32.500 -0.027 0.000 1.333 222 K HN -0.086 nan 8.250 nan 0.000 0.434 223 V N 1.703 121.608 119.914 -0.015 0.000 2.686 223 V HA 0.598 4.718 4.120 -0.000 0.000 0.306 223 V C -0.576 175.519 176.094 0.001 0.000 1.065 223 V CA -0.927 61.374 62.300 0.001 0.000 0.894 223 V CB 2.137 33.965 31.823 0.009 0.000 1.004 223 V HN 0.608 nan 8.190 nan 0.000 0.424 224 V N 2.544 122.463 119.914 0.008 0.000 3.159 224 V HA 0.795 4.914 4.120 -0.000 0.000 0.308 224 V C -2.974 173.126 176.094 0.009 0.000 1.190 224 V CA -2.928 59.375 62.300 0.006 0.000 1.037 224 V CB 2.186 34.011 31.823 0.004 0.000 1.060 224 V HN 0.634 nan 8.190 nan 0.000 0.437 225 P HA 0.117 nan 4.420 nan 0.000 0.267 225 P C 0.776 178.082 177.300 0.009 0.000 1.200 225 P CA 0.304 63.408 63.100 0.007 0.000 0.772 225 P CB 0.545 32.248 31.700 0.005 0.000 0.855 226 E N 2.661 122.866 120.200 0.009 0.000 2.097 226 E HA -0.287 4.062 4.350 -0.000 0.000 0.196 226 E C 1.756 178.363 176.600 0.010 0.000 1.000 226 E CA 1.547 57.954 56.400 0.011 0.000 0.804 226 E CB -0.428 29.278 29.700 0.009 0.000 0.740 226 E HN 0.487 nan 8.360 nan 0.000 0.454 227 A N 0.801 123.625 122.820 0.008 0.000 2.032 227 A HA -0.241 4.079 4.320 -0.000 0.000 0.221 227 A C 1.706 179.295 177.584 0.008 0.000 1.165 227 A CA 1.900 53.942 52.037 0.007 0.000 0.645 227 A CB -0.394 18.609 19.000 0.006 0.000 0.807 227 A HN 0.404 nan 8.150 nan 0.000 0.453 228 E N -1.254 118.950 120.200 0.008 0.000 2.481 228 E HA 0.109 4.459 4.350 -0.000 0.000 0.198 228 E C 1.455 178.060 176.600 0.009 0.000 1.027 228 E CA -0.242 56.162 56.400 0.007 0.000 0.900 228 E CB 0.075 29.778 29.700 0.006 0.000 0.993 228 E HN 0.420 nan 8.360 nan 0.000 0.482 229 L N 1.504 122.734 121.223 0.012 0.000 2.043 229 L HA -0.263 4.077 4.340 -0.000 0.000 0.212 229 L C 2.335 179.214 176.870 0.015 0.000 1.075 229 L CA 2.037 56.886 54.840 0.015 0.000 0.752 229 L CB -0.396 41.675 42.059 0.020 0.000 0.891 229 L HN 0.061 nan 8.230 nan 0.000 0.432 230 Q N -0.562 119.247 119.800 0.015 0.000 2.083 230 Q HA -0.117 4.223 4.340 -0.000 0.000 0.198 230 Q C 2.212 178.219 176.000 0.012 0.000 0.969 230 Q CA 2.197 58.010 55.803 0.016 0.000 0.838 230 Q CB -0.223 28.524 28.738 0.016 0.000 0.900 230 Q HN 0.616 nan 8.270 nan 0.000 0.436 231 E N 0.519 120.725 120.200 0.010 0.000 2.106 231 E HA -0.207 4.143 4.350 -0.000 0.000 0.192 231 E C 1.722 178.326 176.600 0.007 0.000 0.984 231 E CA 1.486 57.892 56.400 0.008 0.000 0.806 231 E CB -0.770 28.935 29.700 0.008 0.000 0.750 231 E HN 0.535 nan 8.360 nan 0.000 0.458 232 E N 0.349 120.552 120.200 0.006 0.000 2.072 232 E HA -0.102 4.248 4.350 -0.000 0.000 0.191 232 E C 2.282 178.883 176.600 0.001 0.000 0.985 232 E CA 1.922 58.323 56.400 0.002 0.000 0.801 232 E CB -0.509 29.192 29.700 0.001 0.000 0.750 232 E HN 0.492 nan 8.360 nan 0.000 0.452 233 T N 0.696 115.253 114.554 0.004 0.000 2.777 233 T HA -0.102 4.248 4.350 -0.000 0.000 0.266 233 T C 1.630 176.332 174.700 0.004 0.000 1.040 233 T CA 1.424 63.527 62.100 0.004 0.000 1.141 233 T CB -0.111 68.764 68.868 0.011 0.000 0.868 233 T HN 0.135 nan 8.240 nan 0.000 0.444 234 M N 0.824 120.429 119.600 0.007 0.000 2.254 234 M HA 0.106 4.586 4.480 -0.000 0.000 0.265 234 M C 2.307 178.611 176.300 0.007 0.000 1.066 234 M CA 0.960 56.264 55.300 0.008 0.000 1.123 234 M CB -1.010 31.596 32.600 0.010 0.000 1.388 234 M HN 0.197 nan 8.290 nan 0.000 0.425 235 R N 0.733 121.237 120.500 0.006 0.000 2.096 235 R HA -0.179 4.160 4.340 -0.000 0.000 0.240 235 R C 1.961 178.263 176.300 0.003 0.000 1.139 235 R CA 1.729 57.833 56.100 0.006 0.000 0.952 235 R CB -0.278 30.024 30.300 0.004 0.000 0.854 235 R HN 0.331 nan 8.270 nan 0.000 0.436 236 I N 0.239 120.808 120.570 -0.003 0.000 2.233 236 I HA -0.150 4.020 4.170 -0.000 0.000 0.243 236 I C 2.654 178.766 176.117 -0.008 0.000 1.093 236 I CA 1.029 62.323 61.300 -0.009 0.000 1.380 236 I CB -0.445 37.545 38.000 -0.017 0.000 1.067 236 I HN 0.272 nan 8.210 nan 0.000 0.413 237 A N 1.183 124.000 122.820 -0.005 0.000 1.865 237 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 237 A C 2.411 179.996 177.584 0.003 0.000 1.191 237 A CA 1.629 53.664 52.037 -0.004 0.000 0.623 237 A CB -0.669 18.331 19.000 -0.000 0.000 0.826 237 A HN 0.299 nan 8.150 nan 0.000 0.444 238 R N -0.732 119.774 120.500 0.010 0.000 2.105 238 R HA -0.168 4.172 4.340 -0.000 0.000 0.239 238 R C 2.293 178.607 176.300 0.025 0.000 1.135 238 R CA 1.660 57.771 56.100 0.019 0.000 0.967 238 R CB -0.230 30.083 30.300 0.021 0.000 0.861 238 R HN 0.502 nan 8.270 nan 0.000 0.442 239 K N 1.465 121.876 120.400 0.018 0.000 2.026 239 K HA -0.091 4.229 4.320 -0.000 0.000 0.208 239 K C 1.766 178.375 176.600 0.015 0.000 1.048 239 K CA 1.434 57.735 56.287 0.023 0.000 0.929 239 K CB -0.300 32.207 32.500 0.012 0.000 0.713 239 K HN 0.073 nan 8.250 nan 0.000 0.439 240 I N 0.676 121.243 120.570 -0.005 0.000 2.264 240 I HA -0.247 3.922 4.170 -0.000 0.000 0.248 240 I C 2.168 178.273 176.117 -0.020 0.000 1.111 240 I CA 1.300 62.584 61.300 -0.025 0.000 1.382 240 I CB -0.312 37.668 38.000 -0.033 0.000 1.060 240 I HN 0.279 nan 8.210 nan 0.000 0.418 241 A N 0.105 122.927 122.820 0.004 0.000 2.066 241 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 241 A C 2.352 179.965 177.584 0.049 0.000 1.157 241 A CA 1.575 53.622 52.037 0.016 0.000 0.670 241 A CB -0.533 18.481 19.000 0.023 0.000 0.804 241 A HN 0.504 nan 8.150 nan 0.000 0.453 242 S N -1.076 114.669 115.700 0.074 0.000 2.558 242 S HA 0.340 4.810 4.470 -0.000 0.000 0.217 242 S C 0.631 175.391 174.600 0.267 0.000 0.975 242 S CA -0.323 57.974 58.200 0.162 0.000 0.912 242 S CB -0.466 62.820 63.200 0.143 0.000 0.776 242 S HN 0.354 nan 8.310 nan 0.000 0.526 243 L N 0.988 122.235 121.223 0.040 0.000 2.569 243 L HA 0.488 4.828 4.340 -0.000 0.000 0.247 243 L C 0.744 177.169 176.870 -0.742 0.000 1.135 243 L CA -0.851 53.826 54.840 -0.271 0.000 0.812 243 L CB 0.679 42.602 42.059 -0.228 0.000 1.431 243 L HN 0.118 nan 8.230 nan 0.000 0.499 244 S N -0.174 114.772 115.700 -1.257 0.000 2.465 244 S HA 0.146 4.616 4.470 -0.000 0.000 0.279 244 S C 1.005 175.355 174.600 -0.415 0.000 1.201 244 S CA -0.463 57.190 58.200 -0.912 0.000 1.053 244 S CB 0.642 63.227 63.200 -1.025 0.000 0.953 244 S HN 0.617 nan 8.310 nan 0.000 0.488 245 R N 5.087 125.452 120.500 -0.225 0.000 2.080 245 R HA -0.034 4.306 4.340 -0.000 0.000 0.236 245 R C -0.913 175.323 176.300 -0.106 0.000 1.137 245 R CA 1.797 57.824 56.100 -0.123 0.000 0.943 245 R CB -1.255 29.012 30.300 -0.055 0.000 0.846 245 R HN 0.569 nan 8.270 nan 0.000 0.431 246 P HA -0.070 nan 4.420 nan 0.000 0.220 246 P C 1.473 178.722 177.300 -0.084 0.000 1.148 246 P CA 0.942 64.002 63.100 -0.067 0.000 0.803 246 P CB -0.001 31.673 31.700 -0.044 0.000 0.782 247 V N -0.045 119.783 119.914 -0.144 0.000 2.346 247 V HA -0.144 3.976 4.120 -0.000 0.000 0.244 247 V C 2.756 178.776 176.094 -0.123 0.000 1.037 247 V CA 1.394 63.606 62.300 -0.146 0.000 1.029 247 V CB -1.060 30.622 31.823 -0.235 0.000 0.663 247 V HN -0.072 nan 8.190 nan 0.000 0.454 248 V N -0.377 119.448 119.914 -0.148 0.000 2.343 248 V HA -0.261 3.859 4.120 -0.000 0.000 0.247 248 V C 2.641 178.705 176.094 -0.049 0.000 1.051 248 V CA 2.401 64.639 62.300 -0.104 0.000 1.036 248 V CB -0.712 31.044 31.823 -0.112 0.000 0.654 248 V HN 0.582 nan 8.190 nan 0.000 0.451 249 S N -0.246 115.432 115.700 -0.036 0.000 2.355 249 S HA -0.153 4.317 4.470 -0.000 0.000 0.222 249 S C 1.933 176.541 174.600 0.014 0.000 1.031 249 S CA 1.700 59.902 58.200 0.004 0.000 0.993 249 S CB -0.329 62.872 63.200 0.002 0.000 0.859 249 S HN 0.429 nan 8.310 nan 0.000 0.453 250 L N 1.911 123.130 121.223 -0.006 0.000 2.042 250 L HA 0.088 4.427 4.340 -0.000 0.000 0.210 250 L C 2.258 179.139 176.870 0.018 0.000 1.076 250 L CA 2.321 57.164 54.840 0.004 0.000 0.749 250 L CB -1.435 40.616 42.059 -0.013 0.000 0.893 250 L HN 0.359 nan 8.230 nan 0.000 0.432 251 G N -0.691 108.109 108.800 -0.000 0.000 2.446 251 G HA2 -0.352 3.607 3.960 -0.000 0.000 0.217 251 G HA3 -0.352 3.607 3.960 -0.000 0.000 0.217 251 G C 1.730 176.655 174.900 0.042 0.000 1.168 251 G CA 0.951 46.054 45.100 0.005 0.000 0.771 251 G HN 0.471 nan 8.290 nan 0.000 0.551 252 K N 0.514 120.940 120.400 0.043 0.000 2.025 252 K HA 0.101 4.421 4.320 -0.000 0.000 0.207 252 K C 2.831 179.572 176.600 0.234 0.000 1.049 252 K CA 1.185 57.535 56.287 0.105 0.000 0.933 252 K CB -0.325 32.247 32.500 0.120 0.000 0.714 252 K HN 0.194 nan 8.250 nan 0.000 0.438 253 A N 0.746 123.670 122.820 0.174 0.000 1.877 253 A HA -0.141 4.179 4.320 -0.000 0.000 0.216 253 A C 2.181 179.865 177.584 0.166 0.000 1.186 253 A CA 2.262 54.407 52.037 0.180 0.000 0.620 253 A CB -1.129 17.931 19.000 0.101 0.000 0.822 253 A HN 0.463 nan 8.150 nan 0.000 0.443 254 T N -0.761 113.859 114.554 0.111 0.000 2.759 254 T HA -0.148 4.202 4.350 -0.000 0.000 0.269 254 T C 1.585 176.320 174.700 0.058 0.000 1.042 254 T CA 1.538 63.680 62.100 0.070 0.000 1.140 254 T CB -0.420 68.474 68.868 0.043 0.000 0.864 254 T HN 0.486 nan 8.240 nan 0.000 0.455 255 F N 1.046 120.952 119.950 -0.073 0.000 2.075 255 F HA -0.156 4.371 4.527 -0.000 0.000 0.297 255 F C 1.987 177.677 175.800 -0.183 0.000 1.113 255 F CA 1.238 59.129 58.000 -0.183 0.000 1.218 255 F CB -0.459 38.344 39.000 -0.328 0.000 0.984 255 F HN 0.108 nan 8.300 nan 0.000 0.472 256 Y N 0.241 120.643 120.300 0.171 0.000 2.333 256 Y HA -0.169 4.381 4.550 -0.000 0.000 0.290 256 Y C 2.736 178.605 175.900 -0.051 0.000 1.144 256 Y CA 1.491 59.619 58.100 0.047 0.000 1.228 256 Y CB -1.172 37.367 38.460 0.131 0.000 0.985 256 Y HN -0.067 nan 8.280 nan 0.000 0.542 257 K N 0.400 120.852 120.400 0.087 0.000 2.103 257 K HA -0.165 4.155 4.320 -0.000 0.000 0.204 257 K C 2.016 178.587 176.600 -0.048 0.000 1.052 257 K CA 1.577 57.880 56.287 0.025 0.000 0.945 257 K CB -0.262 32.259 32.500 0.035 0.000 0.722 257 K HN 0.743 nan 8.250 nan 0.000 0.443 258 Q N -0.082 119.644 119.800 -0.123 0.000 2.137 258 Q HA 0.047 4.387 4.340 -0.000 0.000 0.198 258 Q C 2.060 177.921 176.000 -0.231 0.000 0.960 258 Q CA 1.497 57.196 55.803 -0.175 0.000 0.847 258 Q CB -0.666 27.942 28.738 -0.218 0.000 0.915 258 Q HN 0.252 nan 8.270 nan 0.000 0.448 259 L N 1.736 122.763 121.223 -0.327 0.000 2.034 259 L HA -0.136 4.204 4.340 -0.000 0.000 0.217 259 L C -0.624 176.145 176.870 -0.168 0.000 1.077 259 L CA 2.078 56.721 54.840 -0.330 0.000 0.769 259 L CB -1.131 40.701 42.059 -0.378 0.000 0.890 259 L HN 0.357 nan 8.230 nan 0.000 0.435 260 P HA -0.005 nan 4.420 nan 0.000 0.249 260 P C -0.090 177.170 177.300 -0.068 0.000 1.229 260 P CA 0.203 63.262 63.100 -0.068 0.000 0.788 260 P CB 0.121 31.799 31.700 -0.036 0.000 1.072 261 Q N 1.380 121.129 119.800 -0.085 0.000 2.317 261 Q HA 0.106 4.446 4.340 -0.000 0.000 0.229 261 Q C 0.627 176.581 176.000 -0.077 0.000 0.984 261 Q CA -0.107 55.653 55.803 -0.071 0.000 0.911 261 Q CB 0.653 29.351 28.738 -0.067 0.000 1.217 261 Q HN 0.320 nan 8.270 nan 0.000 0.501 262 D N 0.306 120.672 120.400 -0.057 0.000 2.400 262 D HA -0.100 4.540 4.640 -0.000 0.000 0.238 262 D C 0.900 177.162 176.300 -0.063 0.000 1.157 262 D CA -0.281 53.690 54.000 -0.050 0.000 0.889 262 D CB 1.087 41.868 40.800 -0.032 0.000 1.199 262 D HN 0.389 nan 8.370 nan 0.000 0.436 263 L N 2.684 123.873 121.223 -0.056 0.000 2.083 263 L HA 0.016 4.356 4.340 -0.000 0.000 0.209 263 L C 2.418 179.283 176.870 -0.009 0.000 1.083 263 L CA 2.350 57.137 54.840 -0.088 0.000 0.752 263 L CB -0.833 41.213 42.059 -0.022 0.000 0.899 263 L HN 0.732 nan 8.230 nan 0.000 0.433 264 G N -2.017 106.817 108.800 0.058 0.000 2.418 264 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.217 264 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.217 264 G C 1.446 176.406 174.900 0.101 0.000 1.158 264 G CA 1.130 46.299 45.100 0.114 0.000 0.771 264 G HN 0.414 nan 8.290 nan 0.000 0.545 265 T N 1.666 116.238 114.554 0.029 0.000 2.777 265 T HA 0.049 4.399 4.350 -0.000 0.000 0.266 265 T C 2.816 177.562 174.700 0.077 0.000 1.040 265 T CA 1.394 63.516 62.100 0.037 0.000 1.141 265 T CB -0.340 68.519 68.868 -0.014 0.000 0.868 265 T HN 0.365 nan 8.240 nan 0.000 0.444 266 A N 0.645 123.446 122.820 -0.032 0.000 1.908 266 A HA -0.109 4.211 4.320 -0.000 0.000 0.218 266 A C 2.032 179.551 177.584 -0.108 0.000 1.181 266 A CA 1.438 53.398 52.037 -0.129 0.000 0.627 266 A CB -1.002 17.832 19.000 -0.277 0.000 0.818 266 A HN 0.522 nan 8.150 nan 0.000 0.445 267 Y N -2.050 118.273 120.300 0.038 0.000 2.352 267 Y HA -0.142 4.408 4.550 -0.000 0.000 0.292 267 Y C 2.205 178.152 175.900 0.078 0.000 1.136 267 Y CA 0.825 58.950 58.100 0.042 0.000 1.227 267 Y CB -0.842 37.639 38.460 0.034 0.000 0.991 267 Y HN 0.560 nan 8.280 nan 0.000 0.545 268 Y N -0.622 119.749 120.300 0.119 0.000 2.200 268 Y HA -0.187 4.363 4.550 -0.000 0.000 0.290 268 Y C 1.943 177.867 175.900 0.042 0.000 1.137 268 Y CA 1.147 59.286 58.100 0.066 0.000 1.163 268 Y CB -0.393 38.092 38.460 0.041 0.000 0.988 268 Y HN -0.018 nan 8.280 nan 0.000 0.518 269 L N 0.121 121.429 121.223 0.141 0.000 2.046 269 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 269 L C 2.644 179.497 176.870 -0.029 0.000 1.077 269 L CA 2.542 57.399 54.840 0.027 0.000 0.747 269 L CB -1.633 40.458 42.059 0.053 0.000 0.896 269 L HN 0.515 nan 8.230 nan 0.000 0.432 270 T N -4.450 110.110 114.554 0.010 0.000 3.009 270 T HA -0.057 4.293 4.350 -0.000 0.000 0.258 270 T C 2.006 176.716 174.700 0.018 0.000 1.063 270 T CA 0.838 62.947 62.100 0.015 0.000 1.139 270 T CB -0.510 68.377 68.868 0.032 0.000 0.890 270 T HN 0.352 nan 8.240 nan 0.000 0.471 271 S N 1.705 117.422 115.700 0.028 0.000 2.382 271 S HA -0.197 4.273 4.470 -0.000 0.000 0.228 271 S C 2.222 176.786 174.600 -0.059 0.000 1.027 271 S CA 1.183 59.382 58.200 -0.001 0.000 0.991 271 S CB -0.603 62.600 63.200 0.006 0.000 0.823 271 S HN 0.414 nan 8.310 nan 0.000 0.469 272 Q N 2.185 121.910 119.800 -0.124 0.000 2.083 272 Q HA 0.226 4.566 4.340 -0.000 0.000 0.198 272 Q C 2.192 178.144 176.000 -0.080 0.000 0.969 272 Q CA 1.754 57.471 55.803 -0.144 0.000 0.838 272 Q CB -1.078 27.510 28.738 -0.249 0.000 0.900 272 Q HN 0.611 nan 8.270 nan 0.000 0.436 273 A N 0.358 123.142 122.820 -0.059 0.000 1.908 273 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 273 A C 2.021 179.592 177.584 -0.022 0.000 1.181 273 A CA 1.938 53.957 52.037 -0.031 0.000 0.627 273 A CB -0.584 18.407 19.000 -0.015 0.000 0.818 273 A HN 0.436 nan 8.150 nan 0.000 0.445 274 M N -0.512 119.078 119.600 -0.017 0.000 2.117 274 M HA -0.106 4.374 4.480 -0.000 0.000 0.262 274 M C 2.213 178.504 176.300 -0.015 0.000 1.065 274 M CA 1.297 56.590 55.300 -0.012 0.000 1.114 274 M CB -1.350 31.247 32.600 -0.005 0.000 1.361 274 M HN 0.247 nan 8.290 nan 0.000 0.408 275 V N 0.720 120.620 119.914 -0.023 0.000 2.490 275 V HA -0.250 3.870 4.120 -0.000 0.000 0.250 275 V C 1.781 177.864 176.094 -0.018 0.000 1.061 275 V CA 1.742 64.028 62.300 -0.022 0.000 1.064 275 V CB -0.773 31.030 31.823 -0.034 0.000 0.670 275 V HN 0.351 nan 8.190 nan 0.000 0.461 276 D N -0.654 119.733 120.400 -0.022 0.000 2.213 276 D HA -0.088 4.552 4.640 -0.000 0.000 0.205 276 D C 2.036 178.330 176.300 -0.010 0.000 0.961 276 D CA 0.970 54.960 54.000 -0.016 0.000 0.853 276 D CB -0.356 40.432 40.800 -0.020 0.000 0.967 276 D HN 0.554 nan 8.370 nan 0.000 0.496 277 N N 0.297 118.990 118.700 -0.011 0.000 2.244 277 N HA -0.073 4.667 4.740 -0.000 0.000 0.183 277 N C 1.767 177.278 175.510 0.001 0.000 1.016 277 N CA 0.311 53.355 53.050 -0.010 0.000 0.866 277 N CB 0.082 38.559 38.487 -0.016 0.000 0.980 277 N HN 0.046 nan 8.380 nan 0.000 0.430 278 L N 0.237 121.461 121.223 0.003 0.000 2.217 278 L HA -0.005 4.335 4.340 -0.000 0.000 0.211 278 L C 2.427 179.307 176.870 0.017 0.000 1.107 278 L CA 0.681 55.529 54.840 0.013 0.000 0.783 278 L CB -0.273 41.791 42.059 0.009 0.000 0.919 278 L HN 0.243 nan 8.230 nan 0.000 0.442 279 A N -0.140 122.686 122.820 0.010 0.000 2.066 279 A HA 0.067 4.387 4.320 -0.000 0.000 0.218 279 A C 1.195 178.790 177.584 0.018 0.000 1.157 279 A CA 0.232 52.276 52.037 0.012 0.000 0.670 279 A CB -0.405 18.598 19.000 0.005 0.000 0.804 279 A HN 0.239 nan 8.150 nan 0.000 0.453 280 L N -1.028 120.206 121.223 0.019 0.000 2.456 280 L HA 0.227 4.567 4.340 -0.000 0.000 0.272 280 L C 2.263 179.162 176.870 0.049 0.000 1.189 280 L CA -0.207 54.649 54.840 0.026 0.000 0.846 280 L CB 0.200 42.268 42.059 0.016 0.000 1.111 280 L HN 0.468 nan 8.230 nan 0.000 0.475 281 R N 2.025 122.559 120.500 0.056 0.000 2.103 281 R HA -0.179 4.161 4.340 -0.000 0.000 0.242 281 R C 1.374 177.746 176.300 0.121 0.000 1.142 281 R CA 2.220 58.364 56.100 0.074 0.000 0.960 281 R CB -1.217 29.125 30.300 0.069 0.000 0.858 281 R HN 0.792 nan 8.270 nan 0.000 0.439 282 D N -0.643 119.846 120.400 0.149 0.000 2.269 282 D HA -0.019 4.621 4.640 -0.000 0.000 0.208 282 D C 2.126 178.581 176.300 0.259 0.000 0.963 282 D CA 1.254 55.421 54.000 0.280 0.000 0.864 282 D CB -0.532 40.395 40.800 0.211 0.000 0.936 282 D HN 0.553 nan 8.370 nan 0.000 0.505 283 G N 0.903 109.778 108.800 0.126 0.000 2.453 283 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.215 283 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.215 283 G C 1.574 176.546 174.900 0.119 0.000 1.201 283 G CA 0.491 45.651 45.100 0.099 0.000 0.784 283 G HN 0.140 nan 8.290 nan 0.000 0.545 284 Q N 0.155 120.014 119.800 0.099 0.000 2.119 284 Q HA -0.062 4.277 4.340 -0.000 0.000 0.201 284 Q C 2.376 178.433 176.000 0.096 0.000 0.972 284 Q CA 1.507 57.360 55.803 0.084 0.000 0.847 284 Q CB -0.357 28.418 28.738 0.060 0.000 0.903 284 Q HN 0.649 nan 8.270 nan 0.000 0.433 285 E N 0.267 120.540 120.200 0.122 0.000 2.058 285 E HA -0.138 4.212 4.350 -0.000 0.000 0.194 285 E C 1.948 178.593 176.600 0.075 0.000 0.997 285 E CA 1.783 58.236 56.400 0.087 0.000 0.801 285 E CB -0.755 29.004 29.700 0.100 0.000 0.746 285 E HN 0.333 nan 8.360 nan 0.000 0.450 286 G N 0.555 109.486 108.800 0.219 0.000 2.402 286 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.216 286 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.216 286 G C 1.750 176.755 174.900 0.176 0.000 1.162 286 G CA 0.950 46.195 45.100 0.242 0.000 0.777 286 G HN 0.327 nan 8.290 nan 0.000 0.539 287 I N 0.834 121.494 120.570 0.150 0.000 2.127 287 I HA -0.192 3.977 4.170 -0.000 0.000 0.241 287 I C 3.028 179.241 176.117 0.161 0.000 1.075 287 I CA 1.628 63.010 61.300 0.138 0.000 1.334 287 I CB -0.570 37.485 38.000 0.093 0.000 1.040 287 I HN 0.100 nan 8.210 nan 0.000 0.405 288 T N 0.779 115.395 114.554 0.102 0.000 2.708 288 T HA -0.178 4.172 4.350 -0.000 0.000 0.266 288 T C 2.056 176.787 174.700 0.051 0.000 1.037 288 T CA 1.464 63.604 62.100 0.067 0.000 1.146 288 T CB -0.407 68.483 68.868 0.037 0.000 0.865 288 T HN 0.485 nan 8.240 nan 0.000 0.435 289 A N 1.106 123.947 122.820 0.036 0.000 1.908 289 A HA -0.101 4.219 4.320 -0.000 0.000 0.218 289 A C 2.029 179.644 177.584 0.053 0.000 1.181 289 A CA 1.628 53.665 52.037 0.000 0.000 0.627 289 A CB -1.026 17.930 19.000 -0.073 0.000 0.818 289 A HN 0.493 nan 8.150 nan 0.000 0.445 290 F N 0.352 120.290 119.950 -0.021 0.000 2.134 290 F HA -0.072 4.455 4.527 -0.000 0.000 0.299 290 F C 1.778 177.575 175.800 -0.005 0.000 1.097 290 F CA 1.694 59.691 58.000 -0.004 0.000 1.264 290 F CB -0.195 38.816 39.000 0.019 0.000 1.001 290 F HN 0.122 nan 8.300 nan 0.000 0.479 291 L N -0.361 120.870 121.223 0.013 0.000 2.395 291 L HA -0.060 4.280 4.340 -0.000 0.000 0.218 291 L C 1.659 178.462 176.870 -0.112 0.000 1.130 291 L CA 0.663 55.454 54.840 -0.082 0.000 0.826 291 L CB -0.499 41.595 42.059 0.059 0.000 0.941 291 L HN 0.187 nan 8.230 nan 0.000 0.451 292 Q N 0.214 119.963 119.800 -0.086 0.000 2.280 292 Q HA 0.093 4.433 4.340 -0.000 0.000 0.201 292 Q C 0.687 176.622 176.000 -0.110 0.000 0.890 292 Q CA 0.389 56.142 55.803 -0.083 0.000 0.947 292 Q CB 0.423 29.131 28.738 -0.050 0.000 1.081 292 Q HN 0.367 nan 8.270 nan 0.000 0.502 293 K N 1.074 121.370 120.400 -0.173 0.000 3.257 293 K HA -0.259 4.061 4.320 -0.000 0.000 0.270 293 K C -0.328 176.214 176.600 -0.097 0.000 0.984 293 K CA 1.699 57.885 56.287 -0.168 0.000 0.739 293 K CB -2.606 29.800 32.500 -0.157 0.000 1.351 293 K HN 0.658 nan 8.250 nan 0.000 0.463 294 R N -2.542 117.911 120.500 -0.078 0.000 2.869 294 R HA 0.857 5.197 4.340 -0.000 0.000 0.263 294 R C 0.266 176.529 176.300 -0.061 0.000 1.066 294 R CA -0.485 55.578 56.100 -0.063 0.000 0.960 294 R CB 0.908 31.168 30.300 -0.066 0.000 1.221 294 R HN 0.653 nan 8.270 nan 0.000 0.474 295 K N 1.391 121.746 120.400 -0.075 0.000 2.350 295 K HA 0.304 4.623 4.320 -0.000 0.000 0.279 295 K C -2.173 174.303 176.600 -0.207 0.000 1.027 295 K CA -1.434 54.787 56.287 -0.110 0.000 0.969 295 K CB -0.521 31.923 32.500 -0.093 0.000 0.954 295 K HN 0.590 nan 8.250 nan 0.000 0.474 296 P HA 0.395 nan 4.420 nan 0.000 0.281 296 P C -0.948 175.915 177.300 -0.729 0.000 1.249 296 P CA -0.527 62.215 63.100 -0.598 0.000 0.810 296 P CB 1.218 32.314 31.700 -1.007 0.000 1.008 297 V N 2.456 122.034 119.914 -0.560 0.000 2.334 297 V HA 0.238 4.358 4.120 -0.000 0.000 0.281 297 V C -0.250 175.669 176.094 -0.291 0.000 1.016 297 V CA -0.467 61.604 62.300 -0.381 0.000 0.832 297 V CB 0.222 31.945 31.823 -0.167 0.000 0.999 297 V HN 0.536 nan 8.190 nan 0.000 0.439 298 W N 3.025 124.334 121.300 0.014 0.000 2.316 298 W HA 0.559 5.219 4.660 -0.000 0.000 0.321 298 W C 1.101 177.627 176.519 0.011 0.000 1.203 298 W CA -0.505 56.847 57.345 0.013 0.000 1.214 298 W CB 0.955 30.422 29.460 0.012 0.000 1.169 298 W HN 0.661 nan 8.180 nan 0.000 0.561 299 S N 0.000 115.857 115.700 0.262 0.000 2.498 299 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 299 S CA 0.000 58.287 58.200 0.145 0.000 1.107 299 S CB 0.000 63.266 63.200 0.110 0.000 0.593 299 S HN 0.000 nan 8.310 nan 0.000 0.517