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 1lbi_1_C DATA FIRST_RESID 62 DATA SEQUENCE LLIGVATSSL ALHAPSQIVA AIKSRADQLG ASVVVSMVER SGVEACKTAV DATA SEQUENCE HNLLAQRVSG LIINYPLDDQ DAIAVEAACT NVPALFLDVS DQTPINSIIF DATA SEQUENCE SHEDGTRLGV EHLVALGHQQ IALLAGPLSS VSARLRLAGW HKYLTRNQIQ DATA SEQUENCE PIAEREGDWS AMSGFQQTMQ MLNEGIVPTA MLVANDQMAL GAMRAITESG DATA SEQUENCE LRVGADISVV GYDDTEDSSC YIPPLTTIKQ DFRLLGQTSV DRLLQLSQGQ DATA SEQUENCE AVKGNQLLPV SLVKRKTTLA PNTQTASPRA LADSLMQLAR QVSRLE 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 62 L HA 0.000 nan 4.340 nan 0.000 0.249 62 L C 0.000 176.859 176.870 -0.018 0.000 1.165 62 L CA 0.000 54.831 54.840 -0.015 0.000 0.813 62 L CB 0.000 42.050 42.059 -0.015 0.000 0.961 63 L N 3.648 124.859 121.223 -0.020 0.000 2.562 63 L HA 0.370 4.709 4.340 -0.000 0.000 0.271 63 L C -0.256 176.597 176.870 -0.029 0.000 1.167 63 L CA 0.534 55.360 54.840 -0.024 0.000 0.917 63 L CB -0.384 41.660 42.059 -0.025 0.000 1.187 63 L HN 0.295 nan 8.230 nan 0.000 0.482 64 I N 2.837 123.389 120.570 -0.030 0.000 2.406 64 I HA 0.760 4.929 4.170 -0.000 0.000 0.290 64 I C 0.256 176.349 176.117 -0.039 0.000 0.999 64 I CA -0.610 60.668 61.300 -0.037 0.000 1.124 64 I CB 1.536 39.514 38.000 -0.036 0.000 1.289 64 I HN 0.665 nan 8.210 nan 0.000 0.441 65 G N 5.585 114.356 108.800 -0.047 0.000 2.389 65 G HA2 0.581 4.541 3.960 -0.000 0.000 0.317 65 G HA3 0.581 4.541 3.960 -0.000 0.000 0.317 65 G C -0.844 174.023 174.900 -0.055 0.000 1.137 65 G CA -0.549 44.523 45.100 -0.048 0.000 0.870 65 G HN 0.528 nan 8.290 nan 0.000 0.496 66 V N 0.882 120.767 119.914 -0.047 0.000 2.540 66 V HA 0.646 4.765 4.120 -0.000 0.000 0.302 66 V C 0.276 176.342 176.094 -0.046 0.000 1.035 66 V CA -0.825 61.446 62.300 -0.048 0.000 0.873 66 V CB 1.739 33.541 31.823 -0.035 0.000 0.992 66 V HN 1.043 nan 8.190 nan 0.000 0.428 67 A N 3.172 125.961 122.820 -0.051 0.000 2.690 67 A HA 0.640 4.960 4.320 -0.000 0.000 0.342 67 A C 0.173 177.746 177.584 -0.019 0.000 1.410 67 A CA -0.189 51.816 52.037 -0.053 0.000 0.958 67 A CB 0.417 19.375 19.000 -0.069 0.000 1.153 67 A HN 0.726 nan 8.150 nan 0.000 0.497 68 T N 0.480 115.028 114.554 -0.010 0.000 2.897 68 T HA 0.478 4.828 4.350 -0.000 0.000 0.278 68 T C 0.695 175.435 174.700 0.067 0.000 0.981 68 T CA 0.152 62.272 62.100 0.034 0.000 0.973 68 T CB 0.893 69.766 68.868 0.007 0.000 1.092 68 T HN 0.894 nan 8.240 nan 0.000 0.543 69 S N 1.070 116.844 115.700 0.124 0.000 2.481 69 S HA 0.188 4.658 4.470 -0.000 0.000 0.276 69 S C 1.033 175.680 174.600 0.079 0.000 1.247 69 S CA -0.114 58.187 58.200 0.169 0.000 1.053 69 S CB 0.322 63.605 63.200 0.139 0.000 0.925 69 S HN 0.762 nan 8.310 nan 0.000 0.491 70 S N 5.475 121.220 115.700 0.074 0.000 2.840 70 S HA 0.184 4.654 4.470 -0.000 0.000 0.235 70 S C 0.791 175.422 174.600 0.052 0.000 0.968 70 S CA -0.478 57.749 58.200 0.045 0.000 1.026 70 S CB -0.373 62.845 63.200 0.030 0.000 0.788 70 S HN 0.716 nan 8.310 nan 0.000 0.487 71 L N 0.582 121.839 121.223 0.058 0.000 2.693 71 L HA 0.486 4.826 4.340 -0.000 0.000 0.235 71 L C 1.295 178.186 176.870 0.035 0.000 1.127 71 L CA 0.692 55.563 54.840 0.052 0.000 0.914 71 L CB -0.898 41.203 42.059 0.070 0.000 1.193 71 L HN 0.634 nan 8.230 nan 0.000 0.502 72 A N 0.586 123.424 122.820 0.029 0.000 2.667 72 A HA -0.217 4.103 4.320 -0.000 0.000 0.298 72 A C 0.331 177.930 177.584 0.025 0.000 1.483 72 A CA 0.495 52.551 52.037 0.033 0.000 0.738 72 A CB -2.167 16.859 19.000 0.043 0.000 1.067 72 A HN 0.293 nan 8.150 nan 0.000 0.451 73 L N -0.254 120.961 121.223 -0.013 0.000 2.439 73 L HA 0.394 4.733 4.340 -0.000 0.000 0.259 73 L C 1.961 178.848 176.870 0.029 0.000 1.129 73 L CA -0.990 53.810 54.840 -0.066 0.000 0.803 73 L CB 0.474 42.442 42.059 -0.151 0.000 1.161 73 L HN 0.591 nan 8.230 nan 0.000 0.462 74 H N 1.484 120.533 119.070 -0.034 0.000 2.293 74 H HA -0.116 4.439 4.556 -0.001 0.000 0.300 74 H C 1.828 177.115 175.328 -0.068 0.000 1.082 74 H CA 1.665 57.703 56.048 -0.016 0.000 1.308 74 H CB -0.216 29.572 29.762 0.043 0.000 1.375 74 H HN 0.756 nan 8.280 nan 0.000 0.495 75 A N 1.067 123.881 122.820 -0.010 0.000 1.858 75 A HA -0.070 4.250 4.320 -0.000 0.000 0.216 75 A C -0.065 177.225 177.584 -0.489 0.000 1.190 75 A CA 1.469 53.299 52.037 -0.346 0.000 0.617 75 A CB -1.396 17.323 19.000 -0.468 0.000 0.827 75 A HN 0.328 nan 8.150 nan 0.000 0.443 76 P HA -0.070 nan 4.420 nan 0.000 0.219 76 P C 1.429 178.642 177.300 -0.144 0.000 1.146 76 P CA 1.615 64.567 63.100 -0.245 0.000 0.808 76 P CB -0.011 31.587 31.700 -0.170 0.000 0.779 77 S N -1.300 114.345 115.700 -0.092 0.000 2.470 77 S HA -0.053 4.417 4.470 -0.000 0.000 0.225 77 S C 1.807 176.389 174.600 -0.030 0.000 1.006 77 S CA 0.695 58.875 58.200 -0.034 0.000 0.934 77 S CB -0.407 62.801 63.200 0.015 0.000 0.778 77 S HN 0.291 nan 8.310 nan 0.000 0.517 78 Q N 0.032 119.800 119.800 -0.053 0.000 2.354 78 Q HA 0.220 4.560 4.340 -0.000 0.000 0.203 78 Q C 1.667 177.686 176.000 0.031 0.000 0.933 78 Q CA 0.455 56.268 55.803 0.017 0.000 0.901 78 Q CB 0.076 28.886 28.738 0.120 0.000 1.007 78 Q HN 0.521 nan 8.270 nan 0.000 0.495 79 I N -0.830 119.692 120.570 -0.080 0.000 2.296 79 I HA -0.188 3.982 4.170 -0.000 0.000 0.242 79 I C 1.991 178.107 176.117 -0.001 0.000 1.087 79 I CA 0.525 61.811 61.300 -0.023 0.000 1.393 79 I CB -0.101 37.831 38.000 -0.112 0.000 1.093 79 I HN -0.043 nan 8.210 nan 0.000 0.421 80 V N 1.402 121.300 119.914 -0.028 0.000 2.546 80 V HA -0.334 3.786 4.120 -0.000 0.000 0.254 80 V C 2.594 178.688 176.094 0.001 0.000 1.076 80 V CA 2.057 64.348 62.300 -0.014 0.000 1.087 80 V CB -1.086 30.725 31.823 -0.019 0.000 0.674 80 V HN 0.503 nan 8.190 nan 0.000 0.470 81 A N -0.124 122.702 122.820 0.009 0.000 1.855 81 A HA 0.086 4.406 4.320 -0.000 0.000 0.213 81 A C 2.384 179.985 177.584 0.028 0.000 1.195 81 A CA 1.421 53.469 52.037 0.018 0.000 0.610 81 A CB -0.764 18.249 19.000 0.022 0.000 0.837 81 A HN 0.552 nan 8.150 nan 0.000 0.444 82 A N -0.439 122.411 122.820 0.049 0.000 2.125 82 A HA 0.013 4.333 4.320 -0.000 0.000 0.219 82 A C 1.982 179.592 177.584 0.044 0.000 1.156 82 A CA 1.287 53.361 52.037 0.062 0.000 0.671 82 A CB -0.573 18.493 19.000 0.110 0.000 0.794 82 A HN 0.517 nan 8.150 nan 0.000 0.459 83 I N -1.251 119.337 120.570 0.029 0.000 2.400 83 I HA -0.136 4.033 4.170 -0.000 0.000 0.248 83 I C 2.438 178.560 176.117 0.008 0.000 1.109 83 I CA 1.482 62.791 61.300 0.014 0.000 1.425 83 I CB -0.134 37.868 38.000 0.002 0.000 1.094 83 I HN 0.263 nan 8.210 nan 0.000 0.425 84 K N 1.020 121.424 120.400 0.007 0.000 2.057 84 K HA -0.155 4.165 4.320 -0.000 0.000 0.207 84 K C 2.244 178.847 176.600 0.006 0.000 1.049 84 K CA 1.774 58.063 56.287 0.004 0.000 0.931 84 K CB -0.374 32.128 32.500 0.003 0.000 0.714 84 K HN 0.029 nan 8.250 nan 0.000 0.440 85 S N -0.039 115.668 115.700 0.012 0.000 2.351 85 S HA -0.195 4.275 4.470 -0.000 0.000 0.220 85 S C 2.086 176.692 174.600 0.010 0.000 1.035 85 S CA 1.815 60.022 58.200 0.012 0.000 1.031 85 S CB -0.416 62.795 63.200 0.019 0.000 0.928 85 S HN 0.467 nan 8.310 nan 0.000 0.433 86 R N 1.105 121.612 120.500 0.012 0.000 2.073 86 R HA 0.066 4.405 4.340 -0.000 0.000 0.234 86 R C 2.253 178.555 176.300 0.003 0.000 1.134 86 R CA 1.756 57.861 56.100 0.008 0.000 0.952 86 R CB -0.992 29.314 30.300 0.011 0.000 0.850 86 R HN 0.356 nan 8.270 nan 0.000 0.433 87 A N 0.753 123.573 122.820 0.000 0.000 1.948 87 A HA -0.240 4.080 4.320 -0.000 0.000 0.220 87 A C 1.692 179.274 177.584 -0.003 0.000 1.177 87 A CA 2.129 54.163 52.037 -0.004 0.000 0.636 87 A CB -0.784 18.212 19.000 -0.007 0.000 0.815 87 A HN 0.492 nan 8.150 nan 0.000 0.449 88 D N -0.540 119.859 120.400 -0.001 0.000 2.077 88 D HA -0.149 4.491 4.640 -0.000 0.000 0.193 88 D C 2.221 178.521 176.300 -0.001 0.000 0.989 88 D CA 1.601 55.600 54.000 -0.001 0.000 0.831 88 D CB -0.589 40.212 40.800 0.001 0.000 0.979 88 D HN 0.597 nan 8.370 nan 0.000 0.449 89 Q N -0.536 119.264 119.800 0.000 0.000 2.217 89 Q HA -0.168 4.172 4.340 -0.000 0.000 0.209 89 Q C 1.687 177.687 176.000 -0.001 0.000 0.988 89 Q CA 0.831 56.635 55.803 0.000 0.000 0.878 89 Q CB -0.059 28.680 28.738 0.002 0.000 0.909 89 Q HN 0.211 nan 8.270 nan 0.000 0.424 90 L N -1.365 119.857 121.223 -0.002 0.000 2.558 90 L HA 0.144 4.483 4.340 -0.000 0.000 0.225 90 L C 1.255 178.122 176.870 -0.005 0.000 1.128 90 L CA 1.156 55.994 54.840 -0.004 0.000 0.868 90 L CB -0.097 41.959 42.059 -0.005 0.000 1.006 90 L HN 0.319 nan 8.230 nan 0.000 0.454 91 G N -0.733 108.064 108.800 -0.005 0.000 2.147 91 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.244 91 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.244 91 G C 0.374 175.269 174.900 -0.008 0.000 1.005 91 G CA 0.131 45.228 45.100 -0.006 0.000 0.713 91 G HN 0.634 nan 8.290 nan 0.000 0.515 92 A N -0.059 122.756 122.820 -0.008 0.000 2.306 92 A HA 0.837 5.156 4.320 -0.000 0.000 0.314 92 A C 0.527 178.104 177.584 -0.011 0.000 1.164 92 A CA 0.476 52.507 52.037 -0.011 0.000 0.822 92 A CB 1.007 20.000 19.000 -0.012 0.000 1.130 92 A HN 1.495 nan 8.150 nan 0.000 0.496 93 S N 1.235 116.927 115.700 -0.013 0.000 2.474 93 S HA 0.536 5.006 4.470 -0.000 0.000 0.321 93 S C -0.357 174.233 174.600 -0.016 0.000 1.080 93 S CA -0.675 57.517 58.200 -0.013 0.000 1.106 93 S CB 1.120 64.312 63.200 -0.013 0.000 0.984 93 S HN 0.542 nan 8.310 nan 0.000 0.464 94 V N 3.396 123.301 119.914 -0.015 0.000 2.509 94 V HA 0.463 4.583 4.120 -0.000 0.000 0.284 94 V C -0.142 175.941 176.094 -0.018 0.000 1.047 94 V CA -0.589 61.700 62.300 -0.018 0.000 0.952 94 V CB 1.430 33.244 31.823 -0.015 0.000 0.988 94 V HN 0.755 nan 8.190 nan 0.000 0.469 95 V N 5.298 125.199 119.914 -0.022 0.000 2.483 95 V HA 0.397 4.517 4.120 -0.000 0.000 0.297 95 V C -0.281 175.798 176.094 -0.024 0.000 1.027 95 V CA -0.518 61.769 62.300 -0.022 0.000 0.855 95 V CB 2.137 33.945 31.823 -0.025 0.000 0.995 95 V HN 0.622 nan 8.190 nan 0.000 0.424 96 V N 4.252 124.154 119.914 -0.020 0.000 2.394 96 V HA 0.513 4.633 4.120 -0.000 0.000 0.282 96 V C 0.306 176.388 176.094 -0.020 0.000 1.031 96 V CA 0.063 62.351 62.300 -0.020 0.000 0.881 96 V CB 1.915 33.729 31.823 -0.015 0.000 0.982 96 V HN 0.854 nan 8.190 nan 0.000 0.451 97 S N 4.970 120.654 115.700 -0.026 0.000 2.532 97 S HA 0.761 5.231 4.470 -0.000 0.000 0.301 97 S C -0.567 174.013 174.600 -0.033 0.000 1.083 97 S CA -0.641 57.543 58.200 -0.026 0.000 1.025 97 S CB 1.262 64.444 63.200 -0.030 0.000 1.056 97 S HN 0.649 nan 8.310 nan 0.000 0.494 98 M N 3.235 122.817 119.600 -0.031 0.000 2.294 98 M HA 0.456 4.936 4.480 -0.000 0.000 0.335 98 M C -1.159 175.101 176.300 -0.066 0.000 1.079 98 M CA -0.621 54.658 55.300 -0.034 0.000 0.982 98 M CB 1.829 34.423 32.600 -0.011 0.000 1.651 98 M HN 0.283 nan 8.290 nan 0.000 0.437 99 V N 4.265 124.113 119.914 -0.110 0.000 2.364 99 V HA 0.200 4.320 4.120 -0.000 0.000 0.272 99 V C 0.121 176.166 176.094 -0.083 0.000 1.036 99 V CA -0.884 61.279 62.300 -0.227 0.000 0.880 99 V CB 0.655 32.061 31.823 -0.695 0.000 0.991 99 V HN 0.752 nan 8.190 nan 0.000 0.460 100 E N 4.877 125.047 120.200 -0.049 0.000 2.360 100 E HA 0.157 4.507 4.350 -0.000 0.000 0.269 100 E C 0.034 176.690 176.600 0.094 0.000 1.022 100 E CA -0.893 55.525 56.400 0.031 0.000 0.887 100 E CB 0.875 30.583 29.700 0.013 0.000 0.990 100 E HN 0.320 nan 8.360 nan 0.000 0.426 101 R N 1.831 122.433 120.500 0.169 0.000 2.446 101 R HA 0.112 4.452 4.340 -0.000 0.000 0.314 101 R C -0.921 175.488 176.300 0.181 0.000 1.003 101 R CA 0.273 56.527 56.100 0.256 0.000 1.018 101 R CB -0.639 29.776 30.300 0.192 0.000 0.945 101 R HN 0.661 nan 8.270 nan 0.000 0.419 102 S N 1.028 116.871 115.700 0.237 0.000 2.578 102 S HA 0.390 4.860 4.470 -0.000 0.000 0.272 102 S C 0.235 174.945 174.600 0.184 0.000 1.145 102 S CA -0.525 57.760 58.200 0.141 0.000 0.835 102 S CB 1.253 64.497 63.200 0.072 0.000 1.104 102 S HN 0.653 nan 8.310 nan 0.000 0.458 103 G N 0.326 109.197 108.800 0.119 0.000 2.224 103 G HA2 0.171 4.131 3.960 -0.000 0.000 0.357 103 G HA3 0.171 4.131 3.960 -0.000 0.000 0.357 103 G C 1.077 176.053 174.900 0.125 0.000 1.436 103 G CA 0.303 45.473 45.100 0.116 0.000 1.070 103 G HN 0.876 nan 8.290 nan 0.000 0.556 104 V N -0.032 119.934 119.914 0.087 0.000 3.330 104 V HA -0.050 4.070 4.120 -0.000 0.000 0.273 104 V C 2.530 178.652 176.094 0.047 0.000 1.179 104 V CA 2.406 64.752 62.300 0.076 0.000 1.174 104 V CB -0.483 31.371 31.823 0.052 0.000 0.794 104 V HN 0.677 nan 8.190 nan 0.000 0.527 105 E N 0.941 121.164 120.200 0.038 0.000 2.008 105 E HA -0.052 4.297 4.350 -0.000 0.000 0.191 105 E C 2.271 178.864 176.600 -0.011 0.000 0.986 105 E CA 1.769 58.177 56.400 0.013 0.000 0.807 105 E CB -0.758 28.949 29.700 0.012 0.000 0.766 105 E HN 0.547 nan 8.360 nan 0.000 0.450 106 A N -0.125 122.682 122.820 -0.022 0.000 1.978 106 A HA -0.227 4.093 4.320 -0.000 0.000 0.220 106 A C 2.584 180.091 177.584 -0.129 0.000 1.170 106 A CA 1.676 53.671 52.037 -0.071 0.000 0.636 106 A CB -1.111 17.841 19.000 -0.079 0.000 0.810 106 A HN 0.471 nan 8.150 nan 0.000 0.448 107 C N -0.972 118.242 119.300 -0.142 0.000 2.450 107 C HA 0.041 4.501 4.460 -0.000 0.000 0.279 107 C C 2.681 177.650 174.990 -0.035 0.000 1.335 107 C CA 1.155 60.086 59.018 -0.146 0.000 1.749 107 C CB -1.075 26.608 27.740 -0.094 0.000 1.963 107 C HN 0.637 nan 8.230 nan 0.000 0.501 108 K N -0.384 120.015 120.400 -0.002 0.000 2.062 108 K HA -0.127 4.193 4.320 -0.000 0.000 0.205 108 K C 2.192 178.808 176.600 0.027 0.000 1.051 108 K CA 1.832 58.134 56.287 0.025 0.000 0.941 108 K CB -0.404 32.110 32.500 0.023 0.000 0.719 108 K HN 0.522 nan 8.250 nan 0.000 0.440 109 T N 0.018 114.569 114.554 -0.005 0.000 2.904 109 T HA -0.021 4.329 4.350 -0.000 0.000 0.267 109 T C 1.864 176.592 174.700 0.047 0.000 1.059 109 T CA 1.138 63.233 62.100 -0.008 0.000 1.137 109 T CB -0.095 68.738 68.868 -0.058 0.000 0.879 109 T HN 0.217 nan 8.240 nan 0.000 0.467 110 A N 0.758 123.577 122.820 -0.003 0.000 1.873 110 A HA 0.086 4.406 4.320 -0.000 0.000 0.215 110 A C 2.579 180.167 177.584 0.006 0.000 1.186 110 A CA 1.653 53.680 52.037 -0.017 0.000 0.616 110 A CB -1.050 17.899 19.000 -0.086 0.000 0.823 110 A HN 0.424 nan 8.150 nan 0.000 0.442 111 V N 0.578 120.498 119.914 0.010 0.000 2.252 111 V HA -0.345 3.775 4.120 -0.000 0.000 0.249 111 V C 2.614 178.729 176.094 0.035 0.000 1.056 111 V CA 2.380 64.687 62.300 0.012 0.000 1.022 111 V CB -1.124 30.718 31.823 0.031 0.000 0.641 111 V HN 0.843 nan 8.190 nan 0.000 0.445 112 H N 0.616 119.672 119.070 -0.023 0.000 2.353 112 H HA -0.203 4.352 4.556 -0.001 0.000 0.298 112 H C 2.206 177.521 175.328 -0.021 0.000 1.103 112 H CA 2.264 58.301 56.048 -0.018 0.000 1.293 112 H CB -0.325 29.428 29.762 -0.015 0.000 1.372 112 H HN 0.478 nan 8.280 nan 0.000 0.501 113 N N 0.306 119.049 118.700 0.072 0.000 2.223 113 N HA -0.110 4.629 4.740 -0.000 0.000 0.185 113 N C 2.192 177.651 175.510 -0.085 0.000 1.016 113 N CA 1.087 54.134 53.050 -0.006 0.000 0.863 113 N CB 0.083 38.611 38.487 0.068 0.000 0.983 113 N HN 0.378 nan 8.380 nan 0.000 0.429 114 L N 0.150 121.333 121.223 -0.067 0.000 2.240 114 L HA -0.057 4.283 4.340 -0.000 0.000 0.211 114 L C 1.936 178.752 176.870 -0.090 0.000 1.106 114 L CA 0.241 55.040 54.840 -0.069 0.000 0.793 114 L CB -0.092 41.934 42.059 -0.055 0.000 0.927 114 L HN 0.080 nan 8.230 nan 0.000 0.446 115 L N -0.033 121.117 121.223 -0.122 0.000 2.131 115 L HA 0.017 4.357 4.340 -0.000 0.000 0.206 115 L C 2.682 179.453 176.870 -0.164 0.000 1.087 115 L CA 1.697 56.461 54.840 -0.126 0.000 0.767 115 L CB -1.021 40.966 42.059 -0.119 0.000 0.917 115 L HN 0.142 nan 8.230 nan 0.000 0.441 116 A N -1.516 121.150 122.820 -0.258 0.000 1.969 116 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 116 A C 2.092 179.602 177.584 -0.123 0.000 1.169 116 A CA 1.045 52.943 52.037 -0.233 0.000 0.635 116 A CB -0.369 18.440 19.000 -0.318 0.000 0.810 116 A HN 0.375 nan 8.150 nan 0.000 0.445 117 Q N -0.580 119.158 119.800 -0.104 0.000 2.515 117 Q HA -0.074 4.266 4.340 -0.000 0.000 0.212 117 Q C 0.580 176.546 176.000 -0.057 0.000 0.970 117 Q CA 0.895 56.659 55.803 -0.066 0.000 0.941 117 Q CB -0.269 28.436 28.738 -0.055 0.000 0.998 117 Q HN 0.684 nan 8.270 nan 0.000 0.518 118 R N -1.422 119.039 120.500 -0.065 0.000 3.267 118 R HA -0.141 4.199 4.340 -0.000 0.000 0.254 118 R C -0.918 175.356 176.300 -0.043 0.000 0.993 118 R CA 0.736 56.805 56.100 -0.052 0.000 0.670 118 R CB -3.187 27.087 30.300 -0.042 0.000 1.125 118 R HN 0.121 nan 8.270 nan 0.000 0.434 119 V N -1.745 118.141 119.914 -0.047 0.000 2.881 119 V HA 0.380 4.500 4.120 -0.000 0.000 0.303 119 V C 1.622 177.693 176.094 -0.038 0.000 1.070 119 V CA 0.156 62.431 62.300 -0.042 0.000 1.074 119 V CB 1.675 33.469 31.823 -0.047 0.000 1.012 119 V HN 0.329 nan 8.190 nan 0.000 0.482 120 S N 2.344 118.024 115.700 -0.034 0.000 2.377 120 S HA 0.313 4.783 4.470 -0.000 0.000 0.223 120 S C 0.814 175.393 174.600 -0.034 0.000 1.030 120 S CA 1.042 59.224 58.200 -0.030 0.000 0.970 120 S CB -0.098 63.086 63.200 -0.026 0.000 0.830 120 S HN 1.362 nan 8.310 nan 0.000 0.473 121 G N -0.373 108.402 108.800 -0.042 0.000 2.708 121 G HA2 0.680 4.639 3.960 -0.000 0.000 0.289 121 G HA3 0.680 4.639 3.960 -0.000 0.000 0.289 121 G C -1.939 172.919 174.900 -0.069 0.000 1.416 121 G CA -0.630 44.439 45.100 -0.052 0.000 0.829 121 G HN 0.209 nan 8.290 nan 0.000 0.480 122 L N 0.297 121.463 121.223 -0.096 0.000 2.408 122 L HA 0.559 4.899 4.340 -0.000 0.000 0.268 122 L C -0.854 175.913 176.870 -0.173 0.000 0.986 122 L CA -0.777 53.987 54.840 -0.126 0.000 0.820 122 L CB 2.416 44.392 42.059 -0.139 0.000 1.303 122 L HN 0.329 nan 8.230 nan 0.000 0.411 123 I N 4.709 125.189 120.570 -0.150 0.000 2.354 123 I HA 0.309 4.479 4.170 -0.000 0.000 0.286 123 I C -0.462 175.556 176.117 -0.166 0.000 1.007 123 I CA -0.587 60.620 61.300 -0.156 0.000 1.167 123 I CB 1.752 39.700 38.000 -0.087 0.000 1.320 123 I HN 0.337 nan 8.210 nan 0.000 0.458 124 I N 5.492 125.907 120.570 -0.258 0.000 2.310 124 I HA 0.150 4.320 4.170 -0.000 0.000 0.287 124 I C 0.147 176.277 176.117 0.023 0.000 1.073 124 I CA -0.220 60.993 61.300 -0.145 0.000 1.216 124 I CB 0.234 38.089 38.000 -0.242 0.000 1.415 124 I HN 0.521 nan 8.210 nan 0.000 0.480 125 N N 6.849 125.577 118.700 0.047 0.000 3.083 125 N HA 0.217 4.957 4.740 -0.000 0.000 0.260 125 N C -1.295 174.318 175.510 0.172 0.000 1.163 125 N CA -0.125 52.968 53.050 0.073 0.000 1.060 125 N CB 0.125 38.622 38.487 0.016 0.000 1.345 125 N HN 0.467 nan 8.380 nan 0.000 0.515 126 Y N 1.584 121.909 120.300 0.040 0.000 2.604 126 Y HA 0.389 4.939 4.550 -0.000 0.000 0.331 126 Y C -2.575 173.368 175.900 0.072 0.000 1.158 126 Y CA -1.824 56.303 58.100 0.045 0.000 1.056 126 Y CB 2.015 40.506 38.460 0.052 0.000 1.330 126 Y HN 0.247 nan 8.280 nan 0.000 0.457 127 P HA 0.060 nan 4.420 nan 0.000 0.235 127 P C -0.739 176.459 177.300 -0.169 0.000 1.720 127 P CA 0.218 63.136 63.100 -0.303 0.000 1.003 127 P CB -0.275 31.236 31.700 -0.315 0.000 1.968 128 L N 2.451 123.684 121.223 0.017 0.000 2.361 128 L HA 0.198 4.538 4.340 -0.000 0.000 0.278 128 L C 0.894 177.751 176.870 -0.021 0.000 1.113 128 L CA 0.526 55.403 54.840 0.061 0.000 0.849 128 L CB -0.322 41.818 42.059 0.135 0.000 1.155 128 L HN 0.072 nan 8.230 nan 0.000 0.452 129 D N 1.401 121.790 120.400 -0.017 0.000 2.414 129 D HA 0.036 4.676 4.640 -0.000 0.000 0.251 129 D C 1.006 177.270 176.300 -0.059 0.000 1.252 129 D CA -0.015 53.962 54.000 -0.039 0.000 0.999 129 D CB 0.538 41.324 40.800 -0.024 0.000 1.093 129 D HN 0.643 nan 8.370 nan 0.000 0.515 130 D N 0.225 120.591 120.400 -0.058 0.000 2.855 130 D HA -0.319 4.321 4.640 -0.000 0.000 0.242 130 D C 1.111 177.369 176.300 -0.070 0.000 1.105 130 D CA 1.631 55.593 54.000 -0.062 0.000 0.977 130 D CB -0.202 40.571 40.800 -0.044 0.000 1.241 130 D HN 0.237 nan 8.370 nan 0.000 0.500 131 Q N -0.394 119.378 119.800 -0.048 0.000 2.280 131 Q HA 0.067 4.407 4.340 -0.000 0.000 0.202 131 Q C 0.274 176.253 176.000 -0.035 0.000 0.903 131 Q CA 0.226 56.004 55.803 -0.042 0.000 0.948 131 Q CB 0.405 29.128 28.738 -0.025 0.000 1.058 131 Q HN 0.252 nan 8.270 nan 0.000 0.493 132 D N -0.701 119.677 120.400 -0.036 0.000 2.149 132 D HA 0.014 4.654 4.640 -0.000 0.000 0.206 132 D C 1.515 177.792 176.300 -0.037 0.000 0.967 132 D CA 1.192 55.188 54.000 -0.006 0.000 0.848 132 D CB -0.062 40.752 40.800 0.022 0.000 0.998 132 D HN 0.309 nan 8.370 nan 0.000 0.474 133 A N 0.665 123.406 122.820 -0.132 0.000 1.933 133 A HA -0.120 4.200 4.320 -0.000 0.000 0.218 133 A C 2.280 179.672 177.584 -0.320 0.000 1.175 133 A CA 0.916 52.739 52.037 -0.358 0.000 0.628 133 A CB -0.738 17.946 19.000 -0.527 0.000 0.814 133 A HN 0.221 nan 8.150 nan 0.000 0.444 134 I N -0.687 119.776 120.570 -0.178 0.000 2.546 134 I HA -0.204 3.966 4.170 -0.000 0.000 0.255 134 I C 2.775 178.878 176.117 -0.024 0.000 1.163 134 I CA 0.848 62.089 61.300 -0.098 0.000 1.457 134 I CB -0.156 37.801 38.000 -0.072 0.000 1.092 134 I HN 0.378 nan 8.210 nan 0.000 0.434 135 A N 0.070 122.886 122.820 -0.007 0.000 1.878 135 A HA -0.048 4.271 4.320 -0.000 0.000 0.213 135 A C 2.359 179.979 177.584 0.059 0.000 1.192 135 A CA 0.754 52.806 52.037 0.024 0.000 0.619 135 A CB -0.749 18.263 19.000 0.020 0.000 0.837 135 A HN 0.156 nan 8.150 nan 0.000 0.446 136 V N 0.346 120.313 119.914 0.088 0.000 2.490 136 V HA -0.217 3.903 4.120 -0.000 0.000 0.250 136 V C 2.569 178.798 176.094 0.226 0.000 1.061 136 V CA 2.210 64.604 62.300 0.157 0.000 1.064 136 V CB -0.444 31.515 31.823 0.227 0.000 0.670 136 V HN 0.618 nan 8.190 nan 0.000 0.461 137 E N 0.080 120.433 120.200 0.255 0.000 2.047 137 E HA -0.186 4.164 4.350 -0.000 0.000 0.191 137 E C 2.333 179.021 176.600 0.145 0.000 0.987 137 E CA 1.395 57.972 56.400 0.295 0.000 0.799 137 E CB -0.154 29.670 29.700 0.206 0.000 0.752 137 E HN 0.542 nan 8.360 nan 0.000 0.449 138 A N 1.188 124.064 122.820 0.092 0.000 1.940 138 A HA -0.143 4.177 4.320 -0.000 0.000 0.219 138 A C 2.280 179.898 177.584 0.056 0.000 1.176 138 A CA 2.049 54.121 52.037 0.060 0.000 0.631 138 A CB -0.516 18.508 19.000 0.040 0.000 0.814 138 A HN 0.323 nan 8.150 nan 0.000 0.446 139 A N -1.957 120.902 122.820 0.065 0.000 2.167 139 A HA 0.060 4.379 4.320 -0.000 0.000 0.214 139 A C 1.566 179.182 177.584 0.054 0.000 1.151 139 A CA 0.913 52.985 52.037 0.057 0.000 0.735 139 A CB -0.880 18.157 19.000 0.061 0.000 0.802 139 A HN 0.523 nan 8.150 nan 0.000 0.467 140 C N 2.495 121.831 119.300 0.060 0.000 2.340 140 C HA 0.150 4.610 4.460 -0.000 0.000 0.375 140 C C 1.149 176.153 174.990 0.023 0.000 1.306 140 C CA 0.124 59.163 59.018 0.036 0.000 1.622 140 C CB -2.700 25.063 27.740 0.037 0.000 1.719 140 C HN 0.675 nan 8.230 nan 0.000 0.592 141 T N 0.373 114.942 114.554 0.025 0.000 2.658 141 T HA -0.111 4.239 4.350 -0.000 0.000 0.252 141 T C 0.911 175.614 174.700 0.006 0.000 1.021 141 T CA 0.584 62.694 62.100 0.017 0.000 1.169 141 T CB -0.119 68.760 68.868 0.018 0.000 1.015 141 T HN 0.752 nan 8.240 nan 0.000 0.489 142 N N -0.687 118.017 118.700 0.006 0.000 2.895 142 N HA -0.191 4.549 4.740 -0.000 0.000 0.237 142 N C -0.250 175.255 175.510 -0.007 0.000 0.934 142 N CA 1.025 54.074 53.050 -0.001 0.000 0.984 142 N CB -0.736 37.749 38.487 -0.004 0.000 1.089 142 N HN 0.590 nan 8.380 nan 0.000 0.604 143 V N 2.174 122.081 119.914 -0.011 0.000 2.513 143 V HA 0.426 4.545 4.120 -0.000 0.000 0.299 143 V C -1.957 174.124 176.094 -0.022 0.000 1.035 143 V CA -1.376 60.911 62.300 -0.022 0.000 0.889 143 V CB 2.053 33.856 31.823 -0.033 0.000 0.988 143 V HN -0.066 nan 8.190 nan 0.000 0.440 144 P HA 0.388 nan 4.420 nan 0.000 0.280 144 P C -1.143 176.118 177.300 -0.066 0.000 1.244 144 P CA -0.285 62.799 63.100 -0.026 0.000 0.784 144 P CB 1.524 33.211 31.700 -0.020 0.000 0.913 145 A N 3.870 126.643 122.820 -0.078 0.000 2.288 145 A HA 0.570 4.890 4.320 -0.000 0.000 0.320 145 A C -0.996 176.436 177.584 -0.253 0.000 1.217 145 A CA -0.656 51.242 52.037 -0.231 0.000 0.840 145 A CB 0.481 19.321 19.000 -0.267 0.000 1.179 145 A HN 0.531 nan 8.150 nan 0.000 0.504 146 L N 3.072 124.091 121.223 -0.339 0.000 2.319 146 L HA 0.696 5.036 4.340 -0.000 0.000 0.281 146 L C -1.449 175.221 176.870 -0.333 0.000 1.005 146 L CA -0.271 54.451 54.840 -0.197 0.000 0.828 146 L CB 0.596 42.593 42.059 -0.103 0.000 1.227 146 L HN 0.578 nan 8.230 nan 0.000 0.415 147 F N 5.333 125.288 119.950 0.009 0.000 2.394 147 F HA 0.345 4.872 4.527 -0.001 0.000 0.340 147 F C 0.640 176.446 175.800 0.010 0.000 1.105 147 F CA -0.391 57.619 58.000 0.017 0.000 1.124 147 F CB 1.174 40.187 39.000 0.022 0.000 1.145 147 F HN 0.317 nan 8.300 nan 0.000 0.505 148 L N 1.353 122.671 121.223 0.157 0.000 2.766 148 L HA 0.220 4.560 4.340 -0.000 0.000 0.242 148 L C 0.355 177.291 176.870 0.109 0.000 1.136 148 L CA 0.555 55.451 54.840 0.094 0.000 0.933 148 L CB -0.112 41.976 42.059 0.047 0.000 1.241 148 L HN 0.511 nan 8.230 nan 0.000 0.522 149 D N -0.161 120.326 120.400 0.146 0.000 2.992 149 D HA 0.272 4.911 4.640 -0.000 0.000 0.372 149 D C -0.120 176.219 176.300 0.065 0.000 1.374 149 D CA 0.245 54.300 54.000 0.093 0.000 0.769 149 D CB 0.613 41.448 40.800 0.059 0.000 1.215 149 D HN -0.038 nan 8.370 nan 0.000 0.473 150 V N -2.237 117.710 119.914 0.056 0.000 3.707 150 V HA 0.812 4.931 4.120 -0.000 0.000 0.293 150 V C 0.606 176.683 176.094 -0.028 0.000 1.307 150 V CA -0.532 61.758 62.300 -0.016 0.000 0.971 150 V CB 0.928 32.700 31.823 -0.084 0.000 1.263 150 V HN 0.094 nan 8.190 nan 0.000 0.473 151 S N -0.840 114.828 115.700 -0.054 0.000 2.768 151 S HA 0.497 4.967 4.470 -0.000 0.000 0.300 151 S C 0.293 174.892 174.600 -0.001 0.000 1.122 151 S CA -0.157 58.009 58.200 -0.057 0.000 0.995 151 S CB 1.272 64.421 63.200 -0.086 0.000 1.195 151 S HN 0.733 nan 8.310 nan 0.000 0.547 152 D N 0.466 120.890 120.400 0.040 0.000 2.110 152 D HA -0.006 4.633 4.640 -0.000 0.000 0.202 152 D C 0.596 176.915 176.300 0.032 0.000 0.975 152 D CA 1.024 55.069 54.000 0.074 0.000 0.839 152 D CB -0.238 40.643 40.800 0.136 0.000 0.996 152 D HN 0.439 nan 8.370 nan 0.000 0.464 153 Q N 0.617 120.429 119.800 0.019 0.000 3.151 153 Q HA 0.107 4.446 4.340 -0.000 0.000 0.277 153 Q C -0.309 175.678 176.000 -0.022 0.000 1.343 153 Q CA 0.416 56.220 55.803 0.002 0.000 0.925 153 Q CB -0.549 28.188 28.738 -0.002 0.000 1.771 153 Q HN -0.028 nan 8.270 nan 0.000 0.514 154 T N 1.885 116.425 114.554 -0.024 0.000 3.109 154 T HA 0.297 4.647 4.350 -0.000 0.000 0.311 154 T C -2.503 172.175 174.700 -0.037 0.000 1.011 154 T CA -1.302 60.767 62.100 -0.053 0.000 1.026 154 T CB 1.369 70.187 68.868 -0.083 0.000 1.047 154 T HN 0.081 nan 8.240 nan 0.000 0.448 155 P HA 0.268 nan 4.420 nan 0.000 0.246 155 P C -0.167 177.125 177.300 -0.013 0.000 1.686 155 P CA -0.059 63.030 63.100 -0.018 0.000 0.867 155 P CB -0.800 30.890 31.700 -0.018 0.000 1.733 156 I N -3.662 116.900 120.570 -0.014 0.000 3.206 156 I HA 0.527 4.697 4.170 -0.000 0.000 0.313 156 I C -0.517 175.668 176.117 0.113 0.000 1.103 156 I CA -1.591 59.731 61.300 0.037 0.000 0.985 156 I CB 1.500 39.443 38.000 -0.094 0.000 1.240 156 I HN -0.365 nan 8.210 nan 0.000 0.464 157 N N 2.938 121.768 118.700 0.216 0.000 2.415 157 N HA 0.277 5.017 4.740 -0.000 0.000 0.250 157 N C -0.594 175.068 175.510 0.253 0.000 1.127 157 N CA -0.079 53.075 53.050 0.173 0.000 0.945 157 N CB 0.830 39.390 38.487 0.122 0.000 1.196 157 N HN 0.770 nan 8.380 nan 0.000 0.499 158 S N 1.429 117.229 115.700 0.166 0.000 2.677 158 S HA 0.787 5.257 4.470 -0.000 0.000 0.304 158 S C -0.219 174.430 174.600 0.081 0.000 1.108 158 S CA -0.879 57.420 58.200 0.166 0.000 0.944 158 S CB 1.967 65.241 63.200 0.125 0.000 1.127 158 S HN 0.455 nan 8.310 nan 0.000 0.511 159 I N 1.342 121.947 120.570 0.059 0.000 2.606 159 I HA 0.533 4.703 4.170 -0.000 0.000 0.275 159 I C -2.151 173.939 176.117 -0.045 0.000 1.220 159 I CA -0.518 60.777 61.300 -0.009 0.000 1.098 159 I CB 0.850 38.832 38.000 -0.030 0.000 1.321 159 I HN 0.848 nan 8.210 nan 0.000 0.468 160 I N 6.059 126.603 120.570 -0.042 0.000 3.074 160 I HA 0.614 4.784 4.170 -0.000 0.000 0.310 160 I C -1.331 174.757 176.117 -0.049 0.000 1.153 160 I CA -0.471 60.812 61.300 -0.029 0.000 0.993 160 I CB 1.997 40.058 38.000 0.101 0.000 1.237 160 I HN 0.333 nan 8.210 nan 0.000 0.443 161 F N 2.850 122.887 119.950 0.144 0.000 2.459 161 F HA 0.264 4.791 4.527 0.001 0.000 0.346 161 F C 1.277 177.164 175.800 0.145 0.000 1.128 161 F CA 0.350 58.431 58.000 0.135 0.000 1.268 161 F CB 0.606 39.704 39.000 0.163 0.000 1.161 161 F HN 0.373 nan 8.300 nan 0.000 0.583 162 S N 1.587 117.444 115.700 0.261 0.000 2.457 162 S HA -0.009 4.460 4.470 -0.000 0.000 0.294 162 S C 0.934 175.592 174.600 0.097 0.000 1.201 162 S CA -0.448 57.798 58.200 0.077 0.000 1.112 162 S CB -0.563 62.638 63.200 0.001 0.000 1.018 162 S HN 0.677 nan 8.310 nan 0.000 0.511 163 H N 2.292 121.458 119.070 0.161 0.000 2.529 163 H HA 0.245 4.800 4.556 -0.001 0.000 0.277 163 H C 1.666 177.081 175.328 0.144 0.000 0.999 163 H CA 0.775 56.904 56.048 0.136 0.000 1.256 163 H CB 0.078 29.873 29.762 0.054 0.000 1.402 163 H HN 0.507 nan 8.280 nan 0.000 0.566 164 E N 0.658 120.699 120.200 -0.266 0.000 2.076 164 E HA -0.085 4.264 4.350 -0.000 0.000 0.190 164 E C 1.384 178.020 176.600 0.059 0.000 0.979 164 E CA 1.044 57.460 56.400 0.026 0.000 0.807 164 E CB 0.046 29.710 29.700 -0.061 0.000 0.761 164 E HN 0.466 nan 8.360 nan 0.000 0.454 165 D N -0.892 119.494 120.400 -0.024 0.000 2.110 165 D HA -0.039 4.601 4.640 -0.000 0.000 0.202 165 D C 1.878 178.165 176.300 -0.022 0.000 0.975 165 D CA 1.330 55.302 54.000 -0.047 0.000 0.839 165 D CB -0.672 40.111 40.800 -0.027 0.000 0.996 165 D HN 0.298 nan 8.370 nan 0.000 0.464 166 G N 0.703 109.536 108.800 0.055 0.000 2.491 166 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.218 166 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.218 166 G C 1.698 176.677 174.900 0.131 0.000 1.180 166 G CA 2.378 47.496 45.100 0.030 0.000 0.774 166 G HN 0.420 nan 8.290 nan 0.000 0.562 167 T N -1.507 113.194 114.554 0.245 0.000 2.995 167 T HA 0.024 4.374 4.350 -0.000 0.000 0.269 167 T C 2.181 177.098 174.700 0.362 0.000 1.091 167 T CA 1.208 63.528 62.100 0.366 0.000 1.128 167 T CB -0.036 68.879 68.868 0.078 0.000 0.891 167 T HN 0.379 nan 8.240 nan 0.000 0.492 168 R N 0.580 121.063 120.500 -0.028 0.000 2.062 168 R HA 0.187 4.527 4.340 -0.000 0.000 0.226 168 R C 2.424 178.621 176.300 -0.172 0.000 1.125 168 R CA 0.703 56.515 56.100 -0.480 0.000 0.966 168 R CB -0.363 29.317 30.300 -1.033 0.000 0.861 168 R HN 0.381 nan 8.270 nan 0.000 0.433 169 L N 0.050 121.224 121.223 -0.082 0.000 2.056 169 L HA -0.053 4.287 4.340 -0.000 0.000 0.207 169 L C 2.556 179.459 176.870 0.055 0.000 1.078 169 L CA 1.419 56.239 54.840 -0.032 0.000 0.749 169 L CB -0.825 41.199 42.059 -0.058 0.000 0.901 169 L HN 0.477 nan 8.230 nan 0.000 0.433 170 G N -0.306 108.566 108.800 0.121 0.000 2.480 170 G HA2 -0.249 3.710 3.960 -0.000 0.000 0.216 170 G HA3 -0.249 3.710 3.960 -0.000 0.000 0.216 170 G C 1.616 176.565 174.900 0.080 0.000 1.200 170 G CA 1.016 46.203 45.100 0.145 0.000 0.782 170 G HN 0.160 nan 8.290 nan 0.000 0.554 171 V N 2.142 122.129 119.914 0.121 0.000 2.233 171 V HA -0.208 3.911 4.120 -0.000 0.000 0.247 171 V C 2.827 178.947 176.094 0.042 0.000 1.050 171 V CA 2.600 64.936 62.300 0.060 0.000 1.010 171 V CB -0.619 31.326 31.823 0.203 0.000 0.637 171 V HN 0.845 nan 8.190 nan 0.000 0.444 172 E N -0.533 119.701 120.200 0.056 0.000 2.472 172 E HA -0.285 4.065 4.350 -0.000 0.000 0.200 172 E C 1.896 178.546 176.600 0.084 0.000 1.046 172 E CA 1.390 57.820 56.400 0.051 0.000 0.871 172 E CB -0.350 29.360 29.700 0.017 0.000 0.806 172 E HN 0.827 nan 8.360 nan 0.000 0.533 173 H N 1.046 120.108 119.070 -0.013 0.000 2.431 173 H HA 0.137 4.693 4.556 0.000 0.000 0.295 173 H C 1.706 177.034 175.328 0.000 0.000 1.038 173 H CA 0.989 57.029 56.048 -0.013 0.000 1.360 173 H CB -0.057 29.687 29.762 -0.031 0.000 1.433 173 H HN 0.187 nan 8.280 nan 0.000 0.536 174 L N -0.249 120.839 121.223 -0.224 0.000 2.313 174 L HA -0.025 4.315 4.340 -0.000 0.000 0.214 174 L C 1.991 178.850 176.870 -0.018 0.000 1.119 174 L CA 0.529 55.209 54.840 -0.267 0.000 0.809 174 L CB 0.065 41.926 42.059 -0.329 0.000 0.933 174 L HN 0.177 nan 8.230 nan 0.000 0.449 175 V N -0.482 119.435 119.914 0.005 0.000 2.951 175 V HA -0.020 4.099 4.120 -0.000 0.000 0.255 175 V C 2.442 178.566 176.094 0.050 0.000 1.088 175 V CA 1.237 63.564 62.300 0.045 0.000 1.109 175 V CB -0.098 31.752 31.823 0.046 0.000 0.724 175 V HN 0.400 nan 8.190 nan 0.000 0.471 176 A N -0.353 122.500 122.820 0.055 0.000 2.072 176 A HA 0.108 4.428 4.320 -0.000 0.000 0.216 176 A C 1.998 179.612 177.584 0.050 0.000 1.156 176 A CA 0.813 52.886 52.037 0.060 0.000 0.701 176 A CB -0.252 18.802 19.000 0.089 0.000 0.816 176 A HN 0.490 nan 8.150 nan 0.000 0.458 177 L N -1.155 120.101 121.223 0.055 0.000 2.554 177 L HA 0.169 4.508 4.340 -0.000 0.000 0.226 177 L C 1.518 178.332 176.870 -0.093 0.000 1.137 177 L CA 0.656 55.511 54.840 0.025 0.000 0.863 177 L CB -0.028 42.081 42.059 0.084 0.000 0.985 177 L HN 0.566 nan 8.230 nan 0.000 0.451 178 G N -0.489 108.280 108.800 -0.051 0.000 2.140 178 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.211 178 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.211 178 G C 0.052 174.843 174.900 -0.182 0.000 1.013 178 G CA -0.530 44.497 45.100 -0.121 0.000 0.705 178 G HN 0.434 nan 8.290 nan 0.000 0.508 179 H N -0.673 118.364 119.070 -0.055 0.000 2.496 179 H HA 0.562 5.117 4.556 -0.002 0.000 0.342 179 H C 0.856 176.157 175.328 -0.045 0.000 1.170 179 H CA -0.007 56.007 56.048 -0.056 0.000 1.274 179 H CB 1.509 31.222 29.762 -0.081 0.000 1.538 179 H HN 0.342 nan 8.280 nan 0.000 0.542 180 Q N 0.204 120.057 119.800 0.088 0.000 2.167 180 Q HA 0.030 4.370 4.340 -0.000 0.000 0.251 180 Q C -0.176 175.839 176.000 0.024 0.000 0.768 180 Q CA 0.048 55.875 55.803 0.041 0.000 0.944 180 Q CB 1.059 29.811 28.738 0.022 0.000 1.179 180 Q HN 0.369 nan 8.270 nan 0.000 0.478 181 Q N 1.316 121.133 119.800 0.028 0.000 2.566 181 Q HA 0.375 4.715 4.340 -0.000 0.000 0.221 181 Q C -1.229 174.761 176.000 -0.017 0.000 1.195 181 Q CA 0.295 56.102 55.803 0.006 0.000 0.967 181 Q CB 0.335 29.080 28.738 0.011 0.000 1.337 181 Q HN 0.206 nan 8.270 nan 0.000 0.553 182 I N 1.024 121.567 120.570 -0.046 0.000 2.460 182 I HA 0.712 4.882 4.170 -0.000 0.000 0.298 182 I C -0.144 175.905 176.117 -0.113 0.000 0.989 182 I CA -0.932 60.305 61.300 -0.105 0.000 1.173 182 I CB 1.907 39.824 38.000 -0.140 0.000 1.338 182 I HN 0.405 nan 8.210 nan 0.000 0.456 183 A N 6.717 129.449 122.820 -0.147 0.000 2.330 183 A HA 0.923 5.243 4.320 -0.000 0.000 0.329 183 A C -0.991 176.478 177.584 -0.191 0.000 1.135 183 A CA -0.582 51.377 52.037 -0.131 0.000 0.817 183 A CB 1.101 20.039 19.000 -0.104 0.000 1.269 183 A HN 0.648 nan 8.150 nan 0.000 0.469 184 L N 1.382 122.518 121.223 -0.145 0.000 2.385 184 L HA 0.515 4.855 4.340 -0.000 0.000 0.273 184 L C -0.888 175.954 176.870 -0.046 0.000 0.990 184 L CA -0.302 54.447 54.840 -0.153 0.000 0.821 184 L CB 1.796 43.804 42.059 -0.086 0.000 1.279 184 L HN 0.634 nan 8.230 nan 0.000 0.412 185 L N 3.375 124.593 121.223 -0.010 0.000 2.445 185 L HA 0.573 4.913 4.340 -0.000 0.000 0.252 185 L C 0.312 177.229 176.870 0.078 0.000 1.105 185 L CA -0.237 54.613 54.840 0.016 0.000 0.943 185 L CB 1.145 43.211 42.059 0.010 0.000 1.277 185 L HN 0.825 nan 8.230 nan 0.000 0.465 186 A N 2.201 125.064 122.820 0.072 0.000 2.346 186 A HA 0.630 4.950 4.320 -0.000 0.000 0.252 186 A C 0.680 178.164 177.584 -0.167 0.000 1.089 186 A CA 0.311 52.374 52.037 0.043 0.000 0.797 186 A CB 0.562 19.584 19.000 0.038 0.000 1.047 186 A HN 0.660 nan 8.150 nan 0.000 0.494 187 G N -0.380 108.177 108.800 -0.405 0.000 2.563 187 G HA2 0.533 4.493 3.960 -0.000 0.000 0.283 187 G HA3 0.533 4.493 3.960 -0.000 0.000 0.283 187 G C -2.509 171.970 174.900 -0.701 0.000 1.309 187 G CA -1.316 43.215 45.100 -0.950 0.000 1.022 187 G HN 0.623 nan 8.290 nan 0.000 0.501 188 P HA 0.052 nan 4.420 nan 0.000 0.266 188 P C 0.881 178.005 177.300 -0.293 0.000 1.215 188 P CA 0.032 62.879 63.100 -0.421 0.000 0.763 188 P CB 0.744 32.227 31.700 -0.362 0.000 0.806 189 L N 2.693 123.804 121.223 -0.186 0.000 2.721 189 L HA -0.120 4.219 4.340 -0.000 0.000 0.241 189 L C 2.011 178.828 176.870 -0.088 0.000 1.168 189 L CA 1.032 55.797 54.840 -0.124 0.000 0.866 189 L CB -1.012 40.994 42.059 -0.088 0.000 0.996 189 L HN 0.453 nan 8.230 nan 0.000 0.451 190 S N -3.173 112.476 115.700 -0.085 0.000 2.524 190 S HA 0.013 4.483 4.470 -0.000 0.000 0.216 190 S C 0.965 175.537 174.600 -0.046 0.000 0.987 190 S CA -0.365 57.803 58.200 -0.053 0.000 0.909 190 S CB 0.238 63.416 63.200 -0.036 0.000 0.781 190 S HN 0.239 nan 8.310 nan 0.000 0.521 191 S N 0.929 116.609 115.700 -0.035 0.000 2.475 191 S HA 0.406 4.875 4.470 -0.000 0.000 0.281 191 S C 0.978 175.571 174.600 -0.011 0.000 1.198 191 S CA -0.500 57.710 58.200 0.016 0.000 1.063 191 S CB 1.296 64.616 63.200 0.201 0.000 0.972 191 S HN 0.270 nan 8.310 nan 0.000 0.486 192 V N 5.537 125.432 119.914 -0.032 0.000 2.287 192 V HA -0.158 3.962 4.120 -0.000 0.000 0.248 192 V C 2.208 178.260 176.094 -0.070 0.000 1.053 192 V CA 2.956 65.222 62.300 -0.056 0.000 1.027 192 V CB -0.873 30.912 31.823 -0.063 0.000 0.646 192 V HN 1.028 nan 8.190 nan 0.000 0.447 193 S N 0.615 116.295 115.700 -0.034 0.000 2.423 193 S HA -0.040 4.430 4.470 -0.000 0.000 0.231 193 S C 2.087 176.669 174.600 -0.031 0.000 1.014 193 S CA 1.222 59.398 58.200 -0.041 0.000 0.965 193 S CB -0.632 62.580 63.200 0.020 0.000 0.785 193 S HN 0.863 nan 8.310 nan 0.000 0.495 194 A N 2.140 124.984 122.820 0.040 0.000 1.929 194 A HA 0.073 4.392 4.320 -0.000 0.000 0.216 194 A C 2.333 179.838 177.584 -0.131 0.000 1.176 194 A CA 0.936 52.943 52.037 -0.050 0.000 0.628 194 A CB -0.385 18.514 19.000 -0.167 0.000 0.816 194 A HN 0.481 nan 8.150 nan 0.000 0.444 195 R N -0.972 119.465 120.500 -0.105 0.000 2.246 195 R HA 0.246 4.585 4.340 -0.000 0.000 0.199 195 R C 1.693 177.925 176.300 -0.113 0.000 0.984 195 R CA 0.386 56.428 56.100 -0.097 0.000 1.015 195 R CB -0.163 30.090 30.300 -0.078 0.000 0.930 195 R HN 0.463 nan 8.270 nan 0.000 0.475 196 L N -0.284 120.846 121.223 -0.155 0.000 2.162 196 L HA -0.007 4.333 4.340 -0.000 0.000 0.205 196 L C 2.577 179.332 176.870 -0.191 0.000 1.086 196 L CA 0.866 55.586 54.840 -0.200 0.000 0.778 196 L CB -0.206 41.637 42.059 -0.359 0.000 0.928 196 L HN 0.067 nan 8.230 nan 0.000 0.446 197 R N 0.390 120.721 120.500 -0.281 0.000 2.120 197 R HA -0.149 4.191 4.340 -0.000 0.000 0.234 197 R C 2.234 178.078 176.300 -0.759 0.000 1.123 197 R CA 1.214 56.981 56.100 -0.554 0.000 0.975 197 R CB -0.068 29.867 30.300 -0.608 0.000 0.866 197 R HN 0.312 nan 8.270 nan 0.000 0.446 198 L N -0.233 120.765 121.223 -0.376 0.000 2.270 198 L HA 0.075 4.415 4.340 -0.000 0.000 0.210 198 L C 2.157 179.075 176.870 0.080 0.000 1.104 198 L CA 0.977 55.740 54.840 -0.129 0.000 0.804 198 L CB -0.290 41.787 42.059 0.030 0.000 0.937 198 L HN 0.335 nan 8.230 nan 0.000 0.450 199 A N -0.004 122.826 122.820 0.017 0.000 1.877 199 A HA -0.137 4.183 4.320 -0.000 0.000 0.216 199 A C 2.237 179.885 177.584 0.108 0.000 1.186 199 A CA 1.605 53.690 52.037 0.080 0.000 0.620 199 A CB -1.227 17.780 19.000 0.012 0.000 0.822 199 A HN 0.468 nan 8.150 nan 0.000 0.443 200 G N -1.853 106.980 108.800 0.055 0.000 2.443 200 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.219 200 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.219 200 G C 1.466 176.578 174.900 0.352 0.000 1.131 200 G CA 0.697 45.901 45.100 0.173 0.000 0.775 200 G HN 0.706 nan 8.290 nan 0.000 0.547 201 W N -0.112 121.274 121.300 0.142 0.000 2.354 201 W HA -0.053 4.610 4.660 0.004 0.000 0.315 201 W C 2.799 179.310 176.519 -0.015 0.000 1.206 201 W CA 0.543 57.913 57.345 0.042 0.000 1.290 201 W CB -0.158 29.245 29.460 -0.096 0.000 1.152 201 W HN 0.206 nan 8.180 nan 0.000 0.489 202 H N 0.413 119.657 119.070 0.291 0.000 2.270 202 H HA -0.174 4.383 4.556 0.000 0.000 0.299 202 H C 2.063 177.427 175.328 0.060 0.000 1.077 202 H CA 1.910 58.044 56.048 0.143 0.000 1.294 202 H CB -0.756 29.055 29.762 0.082 0.000 1.371 202 H HN 0.141 nan 8.280 nan 0.000 0.491 203 K N 0.515 120.973 120.400 0.097 0.000 2.032 203 K HA -0.238 4.081 4.320 -0.000 0.000 0.218 203 K C 1.978 178.447 176.600 -0.217 0.000 1.054 203 K CA 2.081 58.272 56.287 -0.160 0.000 0.941 203 K CB -0.265 31.980 32.500 -0.425 0.000 0.720 203 K HN 0.196 nan 8.250 nan 0.000 0.449 204 Y N 0.700 121.089 120.300 0.147 0.000 2.395 204 Y HA -0.009 4.541 4.550 -0.001 0.000 0.293 204 Y C 2.083 178.049 175.900 0.110 0.000 1.123 204 Y CA 0.526 58.700 58.100 0.125 0.000 1.227 204 Y CB -0.132 38.412 38.460 0.140 0.000 1.012 204 Y HN 0.035 nan 8.280 nan 0.000 0.552 205 L N -0.401 120.962 121.223 0.233 0.000 2.017 205 L HA -0.240 4.099 4.340 -0.000 0.000 0.208 205 L C 2.619 179.560 176.870 0.118 0.000 1.073 205 L CA 2.163 57.091 54.840 0.148 0.000 0.745 205 L CB -0.776 41.340 42.059 0.094 0.000 0.894 205 L HN 0.339 nan 8.230 nan 0.000 0.432 206 T N -2.652 111.970 114.554 0.112 0.000 3.072 206 T HA -0.135 4.215 4.350 -0.000 0.000 0.266 206 T C 1.831 176.570 174.700 0.066 0.000 1.127 206 T CA 0.638 62.787 62.100 0.082 0.000 1.107 206 T CB -0.082 68.830 68.868 0.074 0.000 0.910 206 T HN 0.205 nan 8.240 nan 0.000 0.513 207 R N 0.264 120.812 120.500 0.080 0.000 2.276 207 R HA 0.297 4.637 4.340 -0.000 0.000 0.196 207 R C 1.108 177.465 176.300 0.095 0.000 0.961 207 R CA 0.539 56.688 56.100 0.082 0.000 1.024 207 R CB -0.005 30.355 30.300 0.101 0.000 0.940 207 R HN 0.377 nan 8.270 nan 0.000 0.480 208 N N 0.059 118.820 118.700 0.102 0.000 2.279 208 N HA 0.008 4.748 4.740 -0.000 0.000 0.226 208 N C -0.495 175.053 175.510 0.062 0.000 1.126 208 N CA -0.064 53.037 53.050 0.085 0.000 0.846 208 N CB 0.786 39.330 38.487 0.094 0.000 1.050 208 N HN -0.106 nan 8.380 nan 0.000 0.502 209 Q N -1.013 118.822 119.800 0.057 0.000 2.362 209 Q HA -0.175 4.165 4.340 -0.000 0.000 0.220 209 Q C -0.554 175.472 176.000 0.043 0.000 0.713 209 Q CA 0.912 56.742 55.803 0.044 0.000 1.345 209 Q CB -1.120 27.639 28.738 0.035 0.000 1.570 209 Q HN 0.337 nan 8.270 nan 0.000 0.701 210 I N 0.157 120.758 120.570 0.051 0.000 2.677 210 I HA 0.519 4.689 4.170 -0.000 0.000 0.305 210 I C 0.457 176.606 176.117 0.052 0.000 0.988 210 I CA -0.304 61.023 61.300 0.045 0.000 1.260 210 I CB 1.502 39.527 38.000 0.042 0.000 1.410 210 I HN 0.035 nan 8.210 nan 0.000 0.523 211 Q N 4.847 124.673 119.800 0.043 0.000 2.284 211 Q HA 0.463 4.803 4.340 -0.000 0.000 0.269 211 Q C -2.608 173.413 176.000 0.035 0.000 1.026 211 Q CA -1.472 54.366 55.803 0.058 0.000 0.831 211 Q CB 2.468 31.241 28.738 0.058 0.000 1.322 211 Q HN 0.296 nan 8.270 nan 0.000 0.419 212 P HA 0.048 nan 4.420 nan 0.000 0.268 212 P C 0.469 177.775 177.300 0.010 0.000 1.204 212 P CA 0.163 63.259 63.100 -0.007 0.000 0.768 212 P CB 0.603 32.281 31.700 -0.038 0.000 0.842 213 I N -0.008 120.556 120.570 -0.009 0.000 2.617 213 I HA 0.275 4.445 4.170 -0.000 0.000 0.256 213 I C 0.715 176.830 176.117 -0.003 0.000 1.167 213 I CA 0.423 61.721 61.300 -0.003 0.000 1.469 213 I CB -0.120 37.874 38.000 -0.011 0.000 1.098 213 I HN 0.283 nan 8.210 nan 0.000 0.436 214 A N 1.397 124.210 122.820 -0.011 0.000 2.605 214 A HA 0.691 5.010 4.320 -0.000 0.000 0.294 214 A C -1.359 176.218 177.584 -0.012 0.000 1.062 214 A CA -0.674 51.358 52.037 -0.008 0.000 0.682 214 A CB 1.086 20.074 19.000 -0.020 0.000 1.278 214 A HN 0.431 nan 8.150 nan 0.000 0.410 215 E N 1.051 121.254 120.200 0.004 0.000 2.331 215 E HA 0.805 5.155 4.350 -0.000 0.000 0.275 215 E C -1.214 175.389 176.600 0.004 0.000 0.895 215 E CA -1.232 55.174 56.400 0.010 0.000 0.753 215 E CB 2.009 31.744 29.700 0.058 0.000 1.216 215 E HN 0.461 nan 8.360 nan 0.000 0.434 216 R N 1.343 121.840 120.500 -0.005 0.000 2.854 216 R HA 0.477 4.817 4.340 -0.000 0.000 0.271 216 R C -0.955 175.328 176.300 -0.027 0.000 0.994 216 R CA -0.957 55.131 56.100 -0.020 0.000 0.945 216 R CB 1.438 31.718 30.300 -0.033 0.000 1.194 216 R HN 0.802 nan 8.270 nan 0.000 0.476 217 E N 0.365 120.535 120.200 -0.050 0.000 2.165 217 E HA 0.543 4.892 4.350 -0.000 0.000 0.266 217 E C -0.619 175.919 176.600 -0.103 0.000 0.889 217 E CA -0.547 55.798 56.400 -0.092 0.000 0.756 217 E CB 1.552 31.198 29.700 -0.089 0.000 1.131 217 E HN 0.731 nan 8.360 nan 0.000 0.411 218 G N 2.012 110.724 108.800 -0.146 0.000 2.887 218 G HA2 0.203 4.163 3.960 -0.000 0.000 0.277 218 G HA3 0.203 4.163 3.960 -0.000 0.000 0.277 218 G C -0.158 174.628 174.900 -0.190 0.000 1.346 218 G CA -0.412 44.620 45.100 -0.113 0.000 1.058 218 G HN 0.684 nan 8.290 nan 0.000 0.535 219 D N -2.835 117.496 120.400 -0.115 0.000 2.538 219 D HA 0.046 4.686 4.640 -0.000 0.000 0.231 219 D C 0.348 176.668 176.300 0.035 0.000 1.229 219 D CA -0.793 53.136 54.000 -0.119 0.000 0.828 219 D CB -0.457 40.327 40.800 -0.026 0.000 1.035 219 D HN 0.724 nan 8.370 nan 0.000 0.495 220 W N 0.271 121.573 121.300 0.004 0.000 1.273 220 W HA -0.275 4.384 4.660 -0.001 0.000 0.240 220 W C 0.450 176.963 176.519 -0.011 0.000 0.987 220 W CA 0.402 57.747 57.345 -0.000 0.000 0.393 220 W CB -2.070 27.381 29.460 -0.015 0.000 1.994 220 W HN 0.186 nan 8.180 nan 0.000 1.170 221 S N 0.208 116.019 115.700 0.185 0.000 2.693 221 S HA 0.822 5.292 4.470 -0.000 0.000 0.276 221 S C 0.941 175.591 174.600 0.084 0.000 1.192 221 S CA -0.328 57.931 58.200 0.097 0.000 0.994 221 S CB 1.874 65.115 63.200 0.068 0.000 1.012 221 S HN 0.466 nan 8.310 nan 0.000 0.550 222 A N 0.788 123.639 122.820 0.051 0.000 1.929 222 A HA 0.022 4.341 4.320 -0.000 0.000 0.216 222 A C 2.018 179.653 177.584 0.084 0.000 1.176 222 A CA 1.393 53.463 52.037 0.055 0.000 0.628 222 A CB -0.936 18.070 19.000 0.009 0.000 0.816 222 A HN 0.810 nan 8.150 nan 0.000 0.444 223 M N 1.339 120.978 119.600 0.065 0.000 2.195 223 M HA -0.154 4.325 4.480 -0.000 0.000 0.260 223 M C 2.234 178.637 176.300 0.171 0.000 1.066 223 M CA 2.234 57.593 55.300 0.099 0.000 1.089 223 M CB -0.673 31.957 32.600 0.051 0.000 1.377 223 M HN 0.563 nan 8.290 nan 0.000 0.411 224 S N -1.319 114.447 115.700 0.110 0.000 2.387 224 S HA 0.031 4.501 4.470 -0.000 0.000 0.226 224 S C 2.192 176.834 174.600 0.071 0.000 1.026 224 S CA 0.887 59.135 58.200 0.080 0.000 0.972 224 S CB -1.575 61.649 63.200 0.040 0.000 0.814 224 S HN 0.536 nan 8.310 nan 0.000 0.477 225 G N 1.092 109.945 108.800 0.088 0.000 2.421 225 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.216 225 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.216 225 G C 1.202 176.138 174.900 0.059 0.000 1.171 225 G CA 0.867 46.007 45.100 0.066 0.000 0.775 225 G HN 0.532 nan 8.290 nan 0.000 0.543 226 F N 1.627 121.570 119.950 -0.012 0.000 2.091 226 F HA -0.163 4.363 4.527 -0.002 0.000 0.299 226 F C 2.919 178.711 175.800 -0.014 0.000 1.103 226 F CA 2.361 60.351 58.000 -0.016 0.000 1.228 226 F CB -0.255 38.734 39.000 -0.018 0.000 0.984 226 F HN 0.253 nan 8.300 nan 0.000 0.477 227 Q N -0.549 119.187 119.800 -0.107 0.000 2.083 227 Q HA -0.166 4.174 4.340 -0.000 0.000 0.198 227 Q C 2.202 178.096 176.000 -0.177 0.000 0.969 227 Q CA 1.191 56.878 55.803 -0.193 0.000 0.838 227 Q CB -0.330 28.424 28.738 0.026 0.000 0.900 227 Q HN 0.434 nan 8.270 nan 0.000 0.436 228 Q N 0.072 119.812 119.800 -0.100 0.000 2.084 228 Q HA -0.102 4.238 4.340 -0.000 0.000 0.202 228 Q C 2.083 178.013 176.000 -0.116 0.000 0.978 228 Q CA 1.653 57.405 55.803 -0.084 0.000 0.844 228 Q CB -0.381 28.326 28.738 -0.051 0.000 0.898 228 Q HN 0.396 nan 8.270 nan 0.000 0.426 229 T N 0.968 115.433 114.554 -0.148 0.000 2.857 229 T HA -0.035 4.314 4.350 -0.000 0.000 0.266 229 T C 1.851 176.421 174.700 -0.218 0.000 1.048 229 T CA 0.759 62.765 62.100 -0.156 0.000 1.139 229 T CB -0.002 68.790 68.868 -0.128 0.000 0.874 229 T HN 0.100 nan 8.240 nan 0.000 0.455 230 M N 1.269 120.647 119.600 -0.370 0.000 2.175 230 M HA -0.036 4.444 4.480 -0.000 0.000 0.264 230 M C 2.335 178.512 176.300 -0.205 0.000 1.063 230 M CA 1.388 56.475 55.300 -0.355 0.000 1.119 230 M CB -1.062 31.194 32.600 -0.575 0.000 1.377 230 M HN 0.330 nan 8.290 nan 0.000 0.415 231 Q N 0.071 119.765 119.800 -0.176 0.000 2.030 231 Q HA -0.231 4.109 4.340 -0.000 0.000 0.204 231 Q C 2.069 178.019 176.000 -0.083 0.000 0.986 231 Q CA 2.434 58.173 55.803 -0.106 0.000 0.843 231 Q CB -0.347 28.340 28.738 -0.085 0.000 0.904 231 Q HN 0.684 nan 8.270 nan 0.000 0.420 232 M N -0.740 118.810 119.600 -0.083 0.000 2.159 232 M HA -0.128 4.352 4.480 -0.000 0.000 0.263 232 M C 1.759 178.023 176.300 -0.061 0.000 1.063 232 M CA 1.690 56.952 55.300 -0.063 0.000 1.110 232 M CB -0.416 32.149 32.600 -0.058 0.000 1.374 232 M HN 0.066 nan 8.290 nan 0.000 0.411 233 L N 0.741 121.919 121.223 -0.075 0.000 2.131 233 L HA -0.111 4.229 4.340 -0.000 0.000 0.210 233 L C 1.306 178.144 176.870 -0.053 0.000 1.092 233 L CA 1.355 56.157 54.840 -0.063 0.000 0.759 233 L CB -0.810 41.204 42.059 -0.074 0.000 0.903 233 L HN 0.520 nan 8.230 nan 0.000 0.435 234 N N -0.642 118.023 118.700 -0.059 0.000 2.313 234 N HA -0.045 4.694 4.740 -0.000 0.000 0.207 234 N C 0.936 176.425 175.510 -0.036 0.000 1.141 234 N CA -0.067 52.956 53.050 -0.044 0.000 0.830 234 N CB 0.339 38.797 38.487 -0.047 0.000 1.008 234 N HN 0.287 nan 8.380 nan 0.000 0.481 235 E N -0.494 119.685 120.200 -0.036 0.000 2.562 235 E HA 0.131 4.481 4.350 -0.000 0.000 0.214 235 E C 1.009 177.595 176.600 -0.024 0.000 0.979 235 E CA -0.007 56.375 56.400 -0.029 0.000 1.002 235 E CB 0.389 30.070 29.700 -0.032 0.000 1.048 235 E HN 0.319 nan 8.360 nan 0.000 0.488 236 G N 1.242 110.027 108.800 -0.025 0.000 2.225 236 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.254 236 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.254 236 G C 0.316 175.204 174.900 -0.020 0.000 0.988 236 G CA 0.203 45.291 45.100 -0.020 0.000 0.625 236 G HN 0.268 nan 8.290 nan 0.000 0.527 237 I N 2.102 122.658 120.570 -0.024 0.000 2.329 237 I HA 0.352 4.522 4.170 -0.000 0.000 0.295 237 I C 0.132 176.232 176.117 -0.029 0.000 1.109 237 I CA -0.346 60.939 61.300 -0.024 0.000 1.297 237 I CB 1.082 39.066 38.000 -0.027 0.000 1.433 237 I HN -0.086 nan 8.210 nan 0.000 0.509 238 V N 8.638 128.538 119.914 -0.023 0.000 2.304 238 V HA 0.316 4.435 4.120 -0.000 0.000 0.278 238 V C -1.783 174.300 176.094 -0.019 0.000 1.018 238 V CA -1.414 60.872 62.300 -0.023 0.000 0.814 238 V CB 0.879 32.691 31.823 -0.018 0.000 1.021 238 V HN 0.588 nan 8.190 nan 0.000 0.440 239 P HA 0.236 nan 4.420 nan 0.000 0.277 239 P C 0.756 178.053 177.300 -0.006 0.000 1.240 239 P CA -0.201 62.884 63.100 -0.025 0.000 0.798 239 P CB 1.569 33.237 31.700 -0.053 0.000 0.979 240 T N -1.834 112.738 114.554 0.031 0.000 3.100 240 T HA 0.433 4.783 4.350 -0.000 0.000 0.253 240 T C 0.612 175.355 174.700 0.072 0.000 1.118 240 T CA 0.227 62.395 62.100 0.114 0.000 1.058 240 T CB -0.155 68.841 68.868 0.212 0.000 0.953 240 T HN 0.690 nan 8.240 nan 0.000 0.515 241 A N 0.568 123.328 122.820 -0.100 0.000 2.605 241 A HA 0.734 5.054 4.320 -0.000 0.000 0.294 241 A C -1.269 176.183 177.584 -0.220 0.000 1.062 241 A CA -1.060 50.812 52.037 -0.276 0.000 0.682 241 A CB 1.273 19.875 19.000 -0.665 0.000 1.278 241 A HN 0.322 nan 8.150 nan 0.000 0.410 242 M N 1.445 120.913 119.600 -0.220 0.000 2.464 242 M HA 0.539 5.019 4.480 -0.000 0.000 0.308 242 M C -1.343 174.792 176.300 -0.274 0.000 1.127 242 M CA -0.359 54.816 55.300 -0.210 0.000 0.913 242 M CB 2.195 34.715 32.600 -0.134 0.000 1.689 242 M HN 0.566 nan 8.290 nan 0.000 0.445 243 L N 3.064 124.053 121.223 -0.391 0.000 2.298 243 L HA 0.651 4.991 4.340 -0.000 0.000 0.284 243 L C -1.162 175.482 176.870 -0.376 0.000 1.013 243 L CA -0.769 53.709 54.840 -0.602 0.000 0.824 243 L CB 1.714 43.034 42.059 -1.232 0.000 1.221 243 L HN 0.426 nan 8.230 nan 0.000 0.418 244 V N 2.641 122.521 119.914 -0.057 0.000 2.555 244 V HA 0.379 4.499 4.120 -0.000 0.000 0.302 244 V C 0.920 177.267 176.094 0.422 0.000 1.038 244 V CA -0.357 62.040 62.300 0.160 0.000 0.887 244 V CB 1.634 33.529 31.823 0.120 0.000 0.991 244 V HN 0.879 nan 8.190 nan 0.000 0.434 245 A N 3.687 126.764 122.820 0.429 0.000 2.024 245 A HA -0.042 4.278 4.320 -0.000 0.000 0.220 245 A C 0.872 178.771 177.584 0.525 0.000 1.164 245 A CA 1.987 54.295 52.037 0.453 0.000 0.643 245 A CB -0.503 18.644 19.000 0.246 0.000 0.806 245 A HN 1.056 nan 8.150 nan 0.000 0.451 246 N N -2.458 116.527 118.700 0.476 0.000 2.708 246 N HA 0.149 4.889 4.740 -0.000 0.000 0.257 246 N C -1.007 174.705 175.510 0.338 0.000 1.373 246 N CA -0.255 53.041 53.050 0.409 0.000 0.843 246 N CB 0.246 38.963 38.487 0.384 0.000 1.503 246 N HN -0.123 nan 8.380 nan 0.000 0.504 247 D N 0.292 120.881 120.400 0.314 0.000 2.224 247 D HA -0.095 4.545 4.640 -0.000 0.000 0.205 247 D C 1.161 177.708 176.300 0.412 0.000 0.965 247 D CA 1.342 55.560 54.000 0.364 0.000 0.852 247 D CB 0.180 41.175 40.800 0.324 0.000 0.947 247 D HN 0.632 nan 8.370 nan 0.000 0.494 248 Q N -0.198 119.786 119.800 0.308 0.000 2.119 248 Q HA -0.017 4.323 4.340 -0.000 0.000 0.201 248 Q C 2.119 178.204 176.000 0.142 0.000 0.972 248 Q CA 0.790 56.713 55.803 0.200 0.000 0.847 248 Q CB -0.031 28.748 28.738 0.068 0.000 0.903 248 Q HN 0.233 nan 8.270 nan 0.000 0.433 249 M N -0.146 119.567 119.600 0.187 0.000 2.236 249 M HA -0.043 4.436 4.480 -0.000 0.000 0.266 249 M C 2.021 178.397 176.300 0.126 0.000 1.070 249 M CA 1.216 56.610 55.300 0.156 0.000 1.137 249 M CB 0.053 32.766 32.600 0.190 0.000 1.378 249 M HN 0.231 nan 8.290 nan 0.000 0.426 250 A N -0.078 122.838 122.820 0.160 0.000 2.067 250 A HA -0.110 4.210 4.320 -0.000 0.000 0.219 250 A C 2.078 179.698 177.584 0.060 0.000 1.158 250 A CA 0.955 53.069 52.037 0.130 0.000 0.661 250 A CB -0.882 18.231 19.000 0.189 0.000 0.801 250 A HN 0.567 nan 8.150 nan 0.000 0.452 251 L N -0.686 120.526 121.223 -0.018 0.000 2.027 251 L HA -0.115 4.225 4.340 -0.000 0.000 0.206 251 L C 2.509 179.318 176.870 -0.100 0.000 1.074 251 L CA 1.750 56.431 54.840 -0.265 0.000 0.745 251 L CB -0.721 41.043 42.059 -0.492 0.000 0.898 251 L HN 0.456 nan 8.230 nan 0.000 0.433 252 G N -1.314 107.488 108.800 0.003 0.000 2.448 252 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.218 252 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.218 252 G C 1.615 176.607 174.900 0.153 0.000 1.135 252 G CA 0.628 45.800 45.100 0.121 0.000 0.784 252 G HN 0.546 nan 8.290 nan 0.000 0.543 253 A N 0.611 123.473 122.820 0.070 0.000 1.969 253 A HA 0.098 4.418 4.320 -0.000 0.000 0.218 253 A C 2.399 180.000 177.584 0.029 0.000 1.169 253 A CA 1.479 53.533 52.037 0.029 0.000 0.635 253 A CB -0.287 18.723 19.000 0.016 0.000 0.810 253 A HN 0.386 nan 8.150 nan 0.000 0.445 254 M N -1.626 117.992 119.600 0.031 0.000 2.156 254 M HA -0.076 4.404 4.480 -0.000 0.000 0.264 254 M C 2.441 178.769 176.300 0.048 0.000 1.067 254 M CA 1.139 56.453 55.300 0.023 0.000 1.131 254 M CB -0.277 32.321 32.600 -0.002 0.000 1.368 254 M HN 0.340 nan 8.290 nan 0.000 0.416 255 R N 0.622 121.173 120.500 0.085 0.000 2.073 255 R HA -0.096 4.244 4.340 -0.000 0.000 0.234 255 R C 2.131 178.571 176.300 0.233 0.000 1.134 255 R CA 1.742 57.926 56.100 0.141 0.000 0.952 255 R CB -0.433 29.951 30.300 0.139 0.000 0.850 255 R HN 0.373 nan 8.270 nan 0.000 0.433 256 A N 1.144 124.112 122.820 0.246 0.000 1.883 256 A HA -0.176 4.143 4.320 -0.000 0.000 0.217 256 A C 2.269 179.855 177.584 0.003 0.000 1.186 256 A CA 1.555 53.605 52.037 0.023 0.000 0.624 256 A CB -0.553 18.325 19.000 -0.203 0.000 0.822 256 A HN 0.317 nan 8.150 nan 0.000 0.444 257 I N -0.844 119.731 120.570 0.009 0.000 2.202 257 I HA -0.209 3.961 4.170 -0.000 0.000 0.242 257 I C 2.612 178.740 176.117 0.018 0.000 1.091 257 I CA 1.722 63.023 61.300 0.001 0.000 1.368 257 I CB -0.688 37.312 38.000 0.000 0.000 1.058 257 I HN 0.236 nan 8.210 nan 0.000 0.410 258 T N 0.459 115.034 114.554 0.035 0.000 2.720 258 T HA -0.173 4.177 4.350 -0.000 0.000 0.268 258 T C 1.679 176.402 174.700 0.040 0.000 1.037 258 T CA 1.398 63.519 62.100 0.035 0.000 1.144 258 T CB -0.246 68.644 68.868 0.036 0.000 0.864 258 T HN 0.437 nan 8.240 nan 0.000 0.444 259 E N 1.100 121.337 120.200 0.063 0.000 2.274 259 E HA 0.021 4.371 4.350 -0.000 0.000 0.194 259 E C 1.663 178.287 176.600 0.040 0.000 0.996 259 E CA 0.573 57.013 56.400 0.067 0.000 0.840 259 E CB -0.041 29.736 29.700 0.128 0.000 0.772 259 E HN 0.303 nan 8.360 nan 0.000 0.491 260 S N 0.143 115.856 115.700 0.021 0.000 2.743 260 S HA 0.189 4.659 4.470 -0.000 0.000 0.230 260 S C 1.126 175.729 174.600 0.004 0.000 0.950 260 S CA 0.433 58.634 58.200 0.002 0.000 0.976 260 S CB 0.300 63.489 63.200 -0.018 0.000 0.779 260 S HN 0.495 nan 8.310 nan 0.000 0.487 261 G N 1.288 110.095 108.800 0.012 0.000 2.179 261 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.257 261 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.257 261 G C -0.228 174.676 174.900 0.007 0.000 1.010 261 G CA -0.076 45.030 45.100 0.010 0.000 0.736 261 G HN 0.381 nan 8.290 nan 0.000 0.513 262 L N -0.762 120.465 121.223 0.007 0.000 2.330 262 L HA 0.614 4.954 4.340 -0.000 0.000 0.271 262 L C 0.879 177.755 176.870 0.010 0.000 1.013 262 L CA -1.274 53.569 54.840 0.006 0.000 0.816 262 L CB 1.517 43.576 42.059 0.000 0.000 1.287 262 L HN 0.170 nan 8.230 nan 0.000 0.435 263 R N 0.800 121.306 120.500 0.011 0.000 2.196 263 R HA 0.423 4.763 4.340 -0.000 0.000 0.340 263 R C -0.582 175.728 176.300 0.017 0.000 1.043 263 R CA -0.569 55.540 56.100 0.015 0.000 0.883 263 R CB 0.972 31.280 30.300 0.015 0.000 1.078 263 R HN 0.354 nan 8.270 nan 0.000 0.462 264 V N 3.221 123.147 119.914 0.019 0.000 2.928 264 V HA -0.050 4.070 4.120 -0.000 0.000 0.307 264 V C 1.661 177.770 176.094 0.025 0.000 1.105 264 V CA 1.765 64.077 62.300 0.020 0.000 1.223 264 V CB 0.794 32.632 31.823 0.026 0.000 0.930 264 V HN 1.154 nan 8.190 nan 0.000 0.499 265 G N 3.583 112.398 108.800 0.025 0.000 2.990 265 G HA2 -0.285 3.674 3.960 -0.000 0.000 0.225 265 G HA3 -0.285 3.674 3.960 -0.000 0.000 0.225 265 G C 1.030 175.957 174.900 0.045 0.000 1.304 265 G CA 0.683 45.804 45.100 0.035 0.000 0.816 265 G HN 1.471 nan 8.290 nan 0.000 0.528 266 A N -0.892 121.949 122.820 0.034 0.000 2.044 266 A HA 0.419 4.738 4.320 -0.000 0.000 0.213 266 A C 1.853 179.454 177.584 0.028 0.000 1.169 266 A CA 2.131 54.185 52.037 0.029 0.000 0.724 266 A CB -0.002 19.009 19.000 0.019 0.000 0.840 266 A HN 0.401 nan 8.150 nan 0.000 0.463 267 D N -0.955 119.461 120.400 0.027 0.000 2.725 267 D HA 0.241 4.881 4.640 -0.000 0.000 0.269 267 D C 0.187 176.505 176.300 0.029 0.000 1.018 267 D CA 0.700 54.713 54.000 0.022 0.000 0.956 267 D CB 0.422 41.229 40.800 0.011 0.000 1.141 267 D HN 0.274 nan 8.370 nan 0.000 0.478 268 I N 1.520 122.100 120.570 0.018 0.000 2.495 268 I HA 0.170 4.340 4.170 -0.000 0.000 0.277 268 I C -0.307 175.801 176.117 -0.016 0.000 1.045 268 I CA -0.280 61.019 61.300 -0.002 0.000 1.135 268 I CB 1.725 39.713 38.000 -0.019 0.000 1.241 268 I HN -0.281 nan 8.210 nan 0.000 0.469 269 S N 4.147 119.828 115.700 -0.033 0.000 2.562 269 S HA 0.397 4.867 4.470 -0.000 0.000 0.281 269 S C 0.002 174.530 174.600 -0.120 0.000 1.333 269 S CA -0.250 57.906 58.200 -0.073 0.000 1.052 269 S CB 1.265 64.377 63.200 -0.146 0.000 0.884 269 S HN 0.339 nan 8.310 nan 0.000 0.506 270 V N 3.988 123.860 119.914 -0.070 0.000 2.638 270 V HA 0.459 4.579 4.120 -0.000 0.000 0.306 270 V C -0.756 175.319 176.094 -0.031 0.000 1.052 270 V CA -0.701 61.563 62.300 -0.059 0.000 0.885 270 V CB 2.070 33.889 31.823 -0.007 0.000 0.999 270 V HN 0.665 nan 8.190 nan 0.000 0.424 271 V N 3.259 123.141 119.914 -0.053 0.000 2.407 271 V HA 0.769 4.888 4.120 -0.000 0.000 0.291 271 V C 0.735 176.868 176.094 0.064 0.000 1.018 271 V CA -0.200 62.099 62.300 -0.001 0.000 0.842 271 V CB 1.022 32.818 31.823 -0.046 0.000 0.996 271 V HN 0.903 nan 8.190 nan 0.000 0.426 272 G N 2.430 111.306 108.800 0.127 0.000 2.494 272 G HA2 0.496 4.456 3.960 -0.000 0.000 0.270 272 G HA3 0.496 4.456 3.960 -0.000 0.000 0.270 272 G C -1.529 173.555 174.900 0.306 0.000 1.423 272 G CA -0.298 44.935 45.100 0.221 0.000 1.055 272 G HN 0.618 nan 8.290 nan 0.000 0.536 273 Y N -1.024 119.396 120.300 0.200 0.000 2.348 273 Y HA 0.429 4.978 4.550 -0.001 0.000 0.321 273 Y C -0.260 175.716 175.900 0.126 0.000 1.163 273 Y CA -0.547 57.667 58.100 0.190 0.000 1.070 273 Y CB 1.884 40.526 38.460 0.304 0.000 1.250 273 Y HN 0.692 nan 8.280 nan 0.000 0.425 274 D N 1.449 121.969 120.400 0.201 0.000 1.760 274 D HA -0.112 4.528 4.640 -0.000 0.000 0.262 274 D C -0.881 175.353 176.300 -0.111 0.000 0.511 274 D CA 1.281 55.348 54.000 0.111 0.000 1.251 274 D CB -0.842 40.111 40.800 0.255 0.000 1.430 274 D HN 0.572 nan 8.370 nan 0.000 0.794 275 D N 0.475 120.850 120.400 -0.042 0.000 3.241 275 D HA -0.106 4.534 4.640 -0.000 0.000 0.248 275 D C -0.562 175.694 176.300 -0.073 0.000 1.093 275 D CA 1.349 55.290 54.000 -0.098 0.000 0.940 275 D CB -0.908 39.794 40.800 -0.162 0.000 0.980 275 D HN 0.389 nan 8.370 nan 0.000 0.421 276 T N -0.799 113.766 114.554 0.018 0.000 2.899 276 T HA 0.373 4.723 4.350 -0.000 0.000 0.284 276 T C 1.523 176.198 174.700 -0.042 0.000 1.004 276 T CA -0.759 61.389 62.100 0.080 0.000 1.043 276 T CB 1.606 70.594 68.868 0.200 0.000 1.013 276 T HN 0.045 nan 8.240 nan 0.000 0.518 277 E N 1.331 121.504 120.200 -0.045 0.000 2.172 277 E HA -0.254 4.096 4.350 -0.000 0.000 0.213 277 E C 1.561 178.080 176.600 -0.135 0.000 1.051 277 E CA 2.073 58.420 56.400 -0.088 0.000 0.860 277 E CB -0.454 29.198 29.700 -0.080 0.000 0.755 277 E HN 0.760 nan 8.360 nan 0.000 0.462 278 D N -0.228 120.072 120.400 -0.166 0.000 2.144 278 D HA -0.060 4.579 4.640 -0.000 0.000 0.199 278 D C 2.022 178.014 176.300 -0.515 0.000 0.984 278 D CA 1.137 55.013 54.000 -0.207 0.000 0.834 278 D CB -0.255 40.538 40.800 -0.012 0.000 0.955 278 D HN -0.001 nan 8.370 nan 0.000 0.465 279 S N 0.030 115.279 115.700 -0.751 0.000 2.389 279 S HA -0.263 4.207 4.470 -0.000 0.000 0.231 279 S C 2.009 176.355 174.600 -0.423 0.000 1.052 279 S CA 1.596 59.264 58.200 -0.887 0.000 1.053 279 S CB -0.593 62.329 63.200 -0.464 0.000 0.886 279 S HN 0.469 nan 8.310 nan 0.000 0.456 280 S N -0.818 114.736 115.700 -0.243 0.000 2.500 280 S HA -0.050 4.419 4.470 -0.000 0.000 0.239 280 S C 1.212 175.766 174.600 -0.075 0.000 0.989 280 S CA 0.865 58.991 58.200 -0.124 0.000 0.951 280 S CB -0.577 62.568 63.200 -0.092 0.000 0.759 280 S HN 0.554 nan 8.310 nan 0.000 0.523 281 C N 0.985 120.232 119.300 -0.087 0.000 3.098 281 C HA 0.500 4.960 4.460 -0.000 0.000 0.265 281 C C -0.308 174.773 174.990 0.151 0.000 1.572 281 C CA -1.107 57.922 59.018 0.018 0.000 1.788 281 C CB -1.479 26.272 27.740 0.018 0.000 2.982 281 C HN 0.467 nan 8.230 nan 0.000 0.532 282 Y N 0.298 120.614 120.300 0.027 0.000 2.298 282 Y HA 0.243 4.792 4.550 -0.001 0.000 0.329 282 Y C 1.411 177.327 175.900 0.028 0.000 1.293 282 Y CA -0.939 57.182 58.100 0.035 0.000 1.388 282 Y CB 0.176 38.663 38.460 0.045 0.000 1.309 282 Y HN 0.040 nan 8.280 nan 0.000 0.544 283 I N 2.375 123.045 120.570 0.167 0.000 2.032 283 I HA -0.193 3.976 4.170 -0.000 0.000 0.231 283 I C -1.547 174.627 176.117 0.094 0.000 1.035 283 I CA 1.216 62.574 61.300 0.096 0.000 1.312 283 I CB -1.717 36.315 38.000 0.053 0.000 1.041 283 I HN 0.482 nan 8.210 nan 0.000 0.390 284 P HA 0.174 nan 4.420 nan 0.000 0.282 284 P C -2.496 174.869 177.300 0.109 0.000 1.274 284 P CA -1.265 61.881 63.100 0.077 0.000 0.770 284 P CB 0.413 32.151 31.700 0.063 0.000 0.867 285 P HA -0.039 nan 4.420 nan 0.000 0.261 285 P C -0.223 177.122 177.300 0.076 0.000 1.183 285 P CA 0.077 63.224 63.100 0.079 0.000 0.761 285 P CB 0.262 31.982 31.700 0.032 0.000 0.785 286 L N 4.764 126.047 121.223 0.099 0.000 2.453 286 L HA 0.113 4.453 4.340 -0.000 0.000 0.272 286 L C 0.243 177.139 176.870 0.044 0.000 1.182 286 L CA 1.002 55.903 54.840 0.102 0.000 0.858 286 L CB 0.092 42.261 42.059 0.184 0.000 1.120 286 L HN 0.286 nan 8.230 nan 0.000 0.474 287 T N 4.130 118.717 114.554 0.055 0.000 2.749 287 T HA 0.518 4.868 4.350 -0.000 0.000 0.295 287 T C -0.066 174.654 174.700 0.033 0.000 0.936 287 T CA -0.067 62.056 62.100 0.038 0.000 1.060 287 T CB 0.158 69.082 68.868 0.093 0.000 0.904 287 T HN 0.848 nan 8.240 nan 0.000 0.500 288 T N 0.370 114.916 114.554 -0.013 0.000 2.883 288 T HA 0.598 4.948 4.350 -0.000 0.000 0.296 288 T C -0.531 174.103 174.700 -0.111 0.000 1.117 288 T CA -1.040 61.045 62.100 -0.025 0.000 1.006 288 T CB 1.085 69.947 68.868 -0.010 0.000 1.191 288 T HN 0.263 nan 8.240 nan 0.000 0.508 289 I N 1.984 122.434 120.570 -0.199 0.000 2.294 289 I HA 0.266 4.436 4.170 -0.000 0.000 0.295 289 I C 0.749 176.657 176.117 -0.349 0.000 1.098 289 I CA -0.435 60.636 61.300 -0.382 0.000 1.277 289 I CB 0.277 37.746 38.000 -0.885 0.000 1.434 289 I HN 0.758 nan 8.210 nan 0.000 0.498 290 K N 6.235 126.468 120.400 -0.278 0.000 2.401 290 K HA 0.117 4.437 4.320 -0.000 0.000 0.278 290 K C -0.326 176.006 176.600 -0.447 0.000 1.018 290 K CA -0.081 56.019 56.287 -0.312 0.000 0.981 290 K CB 0.702 33.053 32.500 -0.248 0.000 0.933 290 K HN 0.539 nan 8.250 nan 0.000 0.477 291 Q N 2.898 122.286 119.800 -0.686 0.000 2.327 291 Q HA 0.092 4.432 4.340 -0.000 0.000 0.270 291 Q C -1.536 173.700 176.000 -1.273 0.000 1.022 291 Q CA -0.661 54.390 55.803 -1.254 0.000 0.773 291 Q CB 1.576 29.543 28.738 -1.284 0.000 1.251 291 Q HN 0.496 nan 8.270 nan 0.000 0.457 292 D N 2.991 122.988 120.400 -0.673 0.000 2.402 292 D HA 0.047 4.686 4.640 -0.000 0.000 0.235 292 D C 0.065 176.440 176.300 0.125 0.000 1.226 292 D CA -0.066 53.790 54.000 -0.240 0.000 0.918 292 D CB 0.296 41.098 40.800 0.004 0.000 1.043 292 D HN 0.410 nan 8.370 nan 0.000 0.506 293 F N 2.093 122.147 119.950 0.173 0.000 2.451 293 F HA -0.019 4.508 4.527 -0.001 0.000 0.299 293 F C 2.174 178.057 175.800 0.139 0.000 1.101 293 F CA 0.257 58.383 58.000 0.209 0.000 1.436 293 F CB -0.255 38.810 39.000 0.108 0.000 1.074 293 F HN 0.278 nan 8.300 nan 0.000 0.553 294 R N -0.189 120.437 120.500 0.210 0.000 2.148 294 R HA -0.039 4.300 4.340 -0.000 0.000 0.227 294 R C 2.081 178.450 176.300 0.114 0.000 1.103 294 R CA 0.656 56.833 56.100 0.128 0.000 0.983 294 R CB -1.002 29.338 30.300 0.068 0.000 0.874 294 R HN 0.320 nan 8.270 nan 0.000 0.451 295 L N -0.035 121.272 121.223 0.140 0.000 2.253 295 L HA 0.088 4.428 4.340 -0.000 0.000 0.205 295 L C 2.220 179.130 176.870 0.067 0.000 1.078 295 L CA 0.688 55.584 54.840 0.092 0.000 0.805 295 L CB -0.321 41.793 42.059 0.091 0.000 0.963 295 L HN 0.068 nan 8.230 nan 0.000 0.459 296 L N -0.717 120.581 121.223 0.126 0.000 2.012 296 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 296 L C 2.292 179.195 176.870 0.056 0.000 1.073 296 L CA 2.054 56.917 54.840 0.037 0.000 0.748 296 L CB -1.088 41.081 42.059 0.184 0.000 0.891 296 L HN 0.438 nan 8.230 nan 0.000 0.431 297 G N -0.179 108.685 108.800 0.107 0.000 2.476 297 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.218 297 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.218 297 G C 1.349 176.270 174.900 0.035 0.000 1.164 297 G CA 1.067 46.208 45.100 0.067 0.000 0.768 297 G HN 0.651 nan 8.290 nan 0.000 0.560 298 Q N 0.320 120.142 119.800 0.036 0.000 2.049 298 Q HA -0.026 4.313 4.340 -0.000 0.000 0.198 298 Q C 2.393 178.396 176.000 0.004 0.000 0.971 298 Q CA 2.436 58.250 55.803 0.018 0.000 0.833 298 Q CB -1.193 27.558 28.738 0.020 0.000 0.896 298 Q HN 0.402 nan 8.270 nan 0.000 0.434 299 T N -0.489 114.064 114.554 -0.003 0.000 2.746 299 T HA -0.218 4.132 4.350 -0.000 0.000 0.267 299 T C 2.149 176.837 174.700 -0.020 0.000 1.039 299 T CA 1.524 63.614 62.100 -0.017 0.000 1.142 299 T CB -0.898 67.949 68.868 -0.035 0.000 0.866 299 T HN 0.517 nan 8.240 nan 0.000 0.444 300 S N 1.970 117.657 115.700 -0.021 0.000 2.351 300 S HA -0.132 4.337 4.470 -0.000 0.000 0.220 300 S C 2.131 176.717 174.600 -0.023 0.000 1.035 300 S CA 1.325 59.510 58.200 -0.024 0.000 1.031 300 S CB -1.297 61.890 63.200 -0.022 0.000 0.928 300 S HN 0.384 nan 8.310 nan 0.000 0.433 301 V N 2.878 122.782 119.914 -0.016 0.000 2.343 301 V HA -0.174 3.946 4.120 -0.000 0.000 0.247 301 V C 2.651 178.736 176.094 -0.015 0.000 1.051 301 V CA 2.221 64.511 62.300 -0.017 0.000 1.036 301 V CB -1.022 30.795 31.823 -0.010 0.000 0.654 301 V HN 0.423 nan 8.190 nan 0.000 0.451 302 D N -0.354 120.039 120.400 -0.011 0.000 2.097 302 D HA -0.147 4.493 4.640 -0.000 0.000 0.195 302 D C 2.412 178.705 176.300 -0.012 0.000 0.989 302 D CA 1.158 55.152 54.000 -0.010 0.000 0.827 302 D CB -0.225 40.571 40.800 -0.007 0.000 0.966 302 D HN 0.210 nan 8.370 nan 0.000 0.456 303 R N 0.212 120.703 120.500 -0.014 0.000 2.073 303 R HA -0.077 4.263 4.340 -0.000 0.000 0.229 303 R C 2.363 178.654 176.300 -0.016 0.000 1.120 303 R CA 0.329 56.421 56.100 -0.013 0.000 0.967 303 R CB -0.588 29.704 30.300 -0.014 0.000 0.862 303 R HN 0.166 nan 8.270 nan 0.000 0.436 304 L N 1.386 122.595 121.223 -0.023 0.000 2.043 304 L HA -0.190 4.150 4.340 -0.000 0.000 0.212 304 L C 1.978 178.833 176.870 -0.025 0.000 1.075 304 L CA 1.733 56.555 54.840 -0.031 0.000 0.752 304 L CB -0.305 41.730 42.059 -0.040 0.000 0.891 304 L HN 0.168 nan 8.230 nan 0.000 0.432 305 L N -1.454 119.757 121.223 -0.020 0.000 2.313 305 L HA -0.093 4.247 4.340 -0.000 0.000 0.214 305 L C 2.474 179.337 176.870 -0.013 0.000 1.119 305 L CA 0.531 55.361 54.840 -0.017 0.000 0.809 305 L CB -0.531 41.520 42.059 -0.015 0.000 0.933 305 L HN 0.381 nan 8.230 nan 0.000 0.449 306 Q N 0.282 120.075 119.800 -0.011 0.000 2.083 306 Q HA -0.106 4.234 4.340 -0.000 0.000 0.198 306 Q C 2.327 178.323 176.000 -0.006 0.000 0.969 306 Q CA 1.127 56.926 55.803 -0.007 0.000 0.838 306 Q CB -0.101 28.634 28.738 -0.005 0.000 0.900 306 Q HN 0.517 nan 8.270 nan 0.000 0.436 307 L N 0.655 121.874 121.223 -0.007 0.000 2.265 307 L HA -0.134 4.205 4.340 -0.000 0.000 0.215 307 L C 2.118 178.985 176.870 -0.005 0.000 1.117 307 L CA 1.189 56.027 54.840 -0.004 0.000 0.782 307 L CB -0.371 41.686 42.059 -0.004 0.000 0.914 307 L HN 0.246 nan 8.230 nan 0.000 0.441 308 S N -2.739 112.956 115.700 -0.009 0.000 2.512 308 S HA 0.024 4.494 4.470 -0.000 0.000 0.216 308 S C 1.688 176.283 174.600 -0.008 0.000 1.006 308 S CA -0.412 57.782 58.200 -0.010 0.000 0.915 308 S CB 0.405 63.596 63.200 -0.015 0.000 0.824 308 S HN 0.332 nan 8.310 nan 0.000 0.497 309 Q N 1.294 121.089 119.800 -0.007 0.000 2.020 309 Q HA 0.188 4.528 4.340 -0.000 0.000 0.198 309 Q C 1.637 177.635 176.000 -0.004 0.000 0.974 309 Q CA 1.646 57.445 55.803 -0.006 0.000 0.829 309 Q CB -0.068 28.666 28.738 -0.006 0.000 0.894 309 Q HN 0.748 nan 8.270 nan 0.000 0.433 310 G N -0.795 108.003 108.800 -0.003 0.000 3.511 310 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.218 310 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.218 310 G C -0.222 174.678 174.900 -0.000 0.000 1.001 310 G CA -0.349 44.750 45.100 -0.001 0.000 0.877 310 G HN 0.192 nan 8.290 nan 0.000 0.450 311 Q N 2.163 121.962 119.800 -0.001 0.000 2.337 311 Q HA 0.640 4.980 4.340 -0.000 0.000 0.255 311 Q C 0.481 176.482 176.000 0.002 0.000 1.205 311 Q CA 0.644 56.448 55.803 0.001 0.000 0.902 311 Q CB 0.327 29.065 28.738 -0.000 0.000 1.433 311 Q HN 0.729 nan 8.270 nan 0.000 0.471 312 A N 4.195 127.017 122.820 0.004 0.000 2.475 312 A HA 0.328 4.648 4.320 -0.000 0.000 0.293 312 A C -0.403 177.185 177.584 0.007 0.000 1.252 312 A CA -0.289 51.752 52.037 0.006 0.000 0.920 312 A CB 0.027 19.031 19.000 0.007 0.000 1.125 312 A HN 0.664 nan 8.150 nan 0.000 0.528 313 V N 4.531 124.450 119.914 0.007 0.000 2.257 313 V HA 0.426 4.545 4.120 -0.000 0.000 0.269 313 V C -0.128 175.973 176.094 0.013 0.000 1.040 313 V CA -0.526 61.779 62.300 0.008 0.000 0.813 313 V CB 0.176 32.001 31.823 0.004 0.000 1.065 313 V HN 0.804 nan 8.190 nan 0.000 0.457 314 K N 4.570 124.979 120.400 0.016 0.000 2.139 314 K HA 0.913 5.233 4.320 -0.000 0.000 0.243 314 K C 0.444 177.060 176.600 0.026 0.000 0.983 314 K CA -0.056 56.245 56.287 0.024 0.000 0.890 314 K CB 1.773 34.288 32.500 0.024 0.000 1.090 314 K HN 1.192 nan 8.250 nan 0.000 0.445 315 G N 1.078 109.898 108.800 0.035 0.000 2.582 315 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.222 315 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.222 315 G C -1.027 173.897 174.900 0.041 0.000 1.311 315 G CA -0.444 44.677 45.100 0.035 0.000 0.915 315 G HN 0.768 nan 8.290 nan 0.000 0.528 316 N N -0.195 118.527 118.700 0.037 0.000 2.524 316 N HA 0.558 5.298 4.740 -0.000 0.000 0.283 316 N C -0.271 175.255 175.510 0.028 0.000 1.142 316 N CA 0.140 53.214 53.050 0.040 0.000 0.984 316 N CB 1.351 39.865 38.487 0.044 0.000 1.155 316 N HN 0.767 nan 8.380 nan 0.000 0.467 317 Q N 1.638 121.449 119.800 0.019 0.000 2.304 317 Q HA 0.468 4.808 4.340 -0.000 0.000 0.270 317 Q C -1.303 174.691 176.000 -0.011 0.000 1.035 317 Q CA -0.406 55.398 55.803 0.000 0.000 0.781 317 Q CB 1.611 30.341 28.738 -0.013 0.000 1.261 317 Q HN 0.585 nan 8.270 nan 0.000 0.444 318 L N 4.732 125.951 121.223 -0.007 0.000 2.272 318 L HA 0.399 4.739 4.340 -0.000 0.000 0.284 318 L C -0.820 176.037 176.870 -0.022 0.000 1.045 318 L CA -0.563 54.273 54.840 -0.007 0.000 0.842 318 L CB 0.529 42.595 42.059 0.012 0.000 1.224 318 L HN 0.471 nan 8.230 nan 0.000 0.430 319 L N 6.400 127.576 121.223 -0.077 0.000 2.426 319 L HA 0.270 4.610 4.340 -0.000 0.000 0.271 319 L C -1.652 175.262 176.870 0.074 0.000 1.169 319 L CA -1.240 53.553 54.840 -0.078 0.000 0.836 319 L CB 0.291 42.149 42.059 -0.335 0.000 1.112 319 L HN 0.356 nan 8.230 nan 0.000 0.465 320 P HA 0.167 nan 4.420 nan 0.000 0.273 320 P C -0.905 176.511 177.300 0.194 0.000 1.250 320 P CA -0.226 62.943 63.100 0.115 0.000 0.793 320 P CB 1.681 33.415 31.700 0.057 0.000 1.011 321 V N -0.463 119.504 119.914 0.088 0.000 3.188 321 V HA 0.528 4.648 4.120 -0.000 0.000 0.305 321 V C -0.238 175.823 176.094 -0.055 0.000 1.232 321 V CA -0.263 62.046 62.300 0.014 0.000 1.043 321 V CB 2.426 34.265 31.823 0.027 0.000 1.068 321 V HN 0.983 nan 8.190 nan 0.000 0.439 322 S N 2.975 118.605 115.700 -0.116 0.000 2.806 322 S HA 0.853 5.323 4.470 -0.000 0.000 0.306 322 S C -1.255 173.249 174.600 -0.159 0.000 1.167 322 S CA -0.747 57.381 58.200 -0.120 0.000 0.847 322 S CB 1.905 65.043 63.200 -0.103 0.000 1.216 322 S HN 1.056 nan 8.310 nan 0.000 0.532 323 L N 1.203 122.339 121.223 -0.145 0.000 2.381 323 L HA 0.762 5.102 4.340 -0.000 0.000 0.274 323 L C -1.662 175.120 176.870 -0.147 0.000 0.988 323 L CA -0.706 54.041 54.840 -0.154 0.000 0.824 323 L CB 1.808 43.771 42.059 -0.161 0.000 1.263 323 L HN 0.624 nan 8.230 nan 0.000 0.410 324 V N 5.007 124.843 119.914 -0.131 0.000 2.320 324 V HA 0.328 4.448 4.120 -0.000 0.000 0.265 324 V C 0.098 176.133 176.094 -0.099 0.000 1.048 324 V CA -0.712 61.522 62.300 -0.111 0.000 0.865 324 V CB 0.565 32.327 31.823 -0.102 0.000 1.043 324 V HN 0.656 nan 8.190 nan 0.000 0.474 325 K N 5.772 126.102 120.400 -0.117 0.000 2.349 325 K HA 0.459 4.779 4.320 -0.000 0.000 0.288 325 K C 0.088 176.662 176.600 -0.044 0.000 1.058 325 K CA -0.216 56.011 56.287 -0.100 0.000 0.953 325 K CB 1.469 33.881 32.500 -0.146 0.000 0.997 325 K HN 0.617 nan 8.250 nan 0.000 0.477 326 R N 1.477 121.973 120.500 -0.007 0.000 2.720 326 R HA 0.277 4.617 4.340 -0.000 0.000 0.100 326 R C 0.391 176.708 176.300 0.029 0.000 1.008 326 R CA -0.686 55.418 56.100 0.005 0.000 0.823 326 R CB 0.165 30.467 30.300 0.002 0.000 0.714 326 R HN 0.234 nan 8.270 nan 0.000 0.365 327 K N 1.312 121.736 120.400 0.039 0.000 2.438 327 K HA 0.152 4.472 4.320 -0.000 0.000 0.205 327 K C 0.983 177.615 176.600 0.053 0.000 1.033 327 K CA 0.310 56.624 56.287 0.045 0.000 1.089 327 K CB 1.161 33.684 32.500 0.039 0.000 0.857 327 K HN 0.593 nan 8.250 nan 0.000 0.522 328 T N -1.926 112.665 114.554 0.060 0.000 3.022 328 T HA 0.028 4.377 4.350 -0.000 0.000 0.250 328 T C 0.906 175.631 174.700 0.042 0.000 1.060 328 T CA -0.053 62.079 62.100 0.053 0.000 1.013 328 T CB -0.074 68.831 68.868 0.061 0.000 0.982 328 T HN 0.148 nan 8.240 nan 0.000 0.508 329 T N 0.706 115.300 114.554 0.066 0.000 2.855 329 T HA 0.771 5.121 4.350 -0.000 0.000 0.281 329 T C -0.699 174.054 174.700 0.088 0.000 1.007 329 T CA -0.842 61.290 62.100 0.053 0.000 1.009 329 T CB 1.851 70.763 68.868 0.073 0.000 0.983 329 T HN 0.106 nan 8.240 nan 0.000 0.455 330 L N 0.277 121.561 121.223 0.102 0.000 2.828 330 L HA 0.748 5.088 4.340 -0.000 0.000 0.264 330 L C -0.102 176.833 176.870 0.110 0.000 1.106 330 L CA -1.179 53.716 54.840 0.092 0.000 0.955 330 L CB 1.294 43.389 42.059 0.060 0.000 1.558 330 L HN 0.991 nan 8.230 nan 0.000 0.386 331 A N 1.428 124.250 122.820 0.003 0.000 2.286 331 A HA 0.754 5.074 4.320 -0.000 0.000 0.286 331 A C -2.452 175.029 177.584 -0.172 0.000 1.097 331 A CA -1.164 50.780 52.037 -0.155 0.000 0.821 331 A CB 0.168 19.096 19.000 -0.120 0.000 1.076 331 A HN 0.374 nan 8.150 nan 0.000 0.490 332 P HA 0.308 nan 4.420 nan 0.000 0.292 332 P C -0.898 176.338 177.300 -0.107 0.000 1.326 332 P CA -0.151 62.849 63.100 -0.167 0.000 0.787 332 P CB 0.817 32.385 31.700 -0.220 0.000 0.903 333 N N 1.392 120.059 118.700 -0.055 0.000 3.856 333 N HA 0.044 4.784 4.740 -0.000 0.000 0.237 333 N C -0.337 175.159 175.510 -0.024 0.000 1.351 333 N CA -0.255 52.770 53.050 -0.042 0.000 0.805 333 N CB 0.933 39.389 38.487 -0.052 0.000 1.487 333 N HN 0.098 nan 8.380 nan 0.000 0.431 334 T N 0.009 114.550 114.554 -0.022 0.000 3.026 334 T HA 0.174 4.523 4.350 -0.000 0.000 0.245 334 T C 0.495 175.187 174.700 -0.014 0.000 1.004 334 T CA 0.733 62.824 62.100 -0.014 0.000 1.069 334 T CB 0.089 68.949 68.868 -0.012 0.000 1.005 334 T HN 0.309 nan 8.240 nan 0.000 0.472 335 Q N 1.135 120.925 119.800 -0.017 0.000 2.259 335 Q HA 0.162 4.502 4.340 -0.000 0.000 0.228 335 Q C 0.606 176.595 176.000 -0.018 0.000 0.909 335 Q CA 0.392 56.186 55.803 -0.016 0.000 0.948 335 Q CB 0.218 28.946 28.738 -0.017 0.000 1.041 335 Q HN 0.334 nan 8.270 nan 0.000 0.445 336 T N -1.423 113.121 114.554 -0.017 0.000 3.177 336 T HA 0.131 4.481 4.350 -0.000 0.000 0.262 336 T C 1.144 175.839 174.700 -0.009 0.000 0.959 336 T CA 0.501 62.591 62.100 -0.016 0.000 0.996 336 T CB 0.279 69.133 68.868 -0.023 0.000 1.185 336 T HN 0.298 nan 8.240 nan 0.000 0.486 337 A N 1.492 124.307 122.820 -0.008 0.000 3.183 337 A HA -0.227 4.093 4.320 -0.000 0.000 0.277 337 A C 0.868 178.451 177.584 -0.000 0.000 1.180 337 A CA 1.675 53.709 52.037 -0.004 0.000 1.022 337 A CB -2.215 16.783 19.000 -0.003 0.000 0.923 337 A HN 1.223 nan 8.150 nan 0.000 0.647 338 S N -1.740 113.960 115.700 0.000 0.000 3.396 338 S HA -0.081 4.389 4.470 -0.000 0.000 0.762 338 S C -0.680 173.924 174.600 0.006 0.000 0.923 338 S CA 0.429 58.632 58.200 0.005 0.000 1.297 338 S CB 0.021 63.226 63.200 0.008 0.000 1.259 338 S HN 0.657 nan 8.310 nan 0.000 0.527 339 P HA -0.109 nan 4.420 nan 0.000 0.218 339 P C 1.252 178.558 177.300 0.009 0.000 1.149 339 P CA 1.055 64.159 63.100 0.007 0.000 0.817 339 P CB 0.071 31.776 31.700 0.007 0.000 0.785 340 R N -0.219 120.288 120.500 0.012 0.000 2.210 340 R HA 0.162 4.501 4.340 -0.000 0.000 0.203 340 R C 2.202 178.510 176.300 0.013 0.000 1.010 340 R CA 0.899 57.007 56.100 0.014 0.000 1.008 340 R CB -0.483 29.828 30.300 0.018 0.000 0.923 340 R HN 0.008 nan 8.270 nan 0.000 0.469 341 A N 1.138 123.965 122.820 0.013 0.000 1.840 341 A HA -0.073 4.247 4.320 -0.000 0.000 0.214 341 A C 2.031 179.621 177.584 0.009 0.000 1.198 341 A CA 0.999 53.043 52.037 0.012 0.000 0.608 341 A CB -0.624 18.382 19.000 0.010 0.000 0.839 341 A HN 0.291 nan 8.150 nan 0.000 0.443 342 L N -0.353 120.875 121.223 0.008 0.000 2.013 342 L HA -0.261 4.079 4.340 -0.000 0.000 0.212 342 L C 3.069 179.943 176.870 0.006 0.000 1.073 342 L CA 1.496 56.340 54.840 0.006 0.000 0.753 342 L CB -0.554 41.508 42.059 0.005 0.000 0.890 342 L HN 0.431 nan 8.230 nan 0.000 0.432 343 A N -0.867 121.958 122.820 0.007 0.000 1.933 343 A HA -0.230 4.090 4.320 -0.000 0.000 0.218 343 A C 2.022 179.611 177.584 0.008 0.000 1.175 343 A CA 1.875 53.916 52.037 0.007 0.000 0.628 343 A CB -0.524 18.480 19.000 0.008 0.000 0.814 343 A HN 0.426 nan 8.150 nan 0.000 0.444 344 D N -0.482 119.924 120.400 0.010 0.000 2.269 344 D HA -0.040 4.599 4.640 -0.000 0.000 0.208 344 D C 1.882 178.188 176.300 0.009 0.000 0.963 344 D CA 1.191 55.197 54.000 0.011 0.000 0.864 344 D CB 0.115 40.923 40.800 0.013 0.000 0.936 344 D HN 0.393 nan 8.370 nan 0.000 0.505 345 S N 0.402 116.107 115.700 0.008 0.000 2.414 345 S HA -0.023 4.447 4.470 -0.000 0.000 0.227 345 S C 1.872 176.475 174.600 0.006 0.000 1.022 345 S CA 0.106 58.310 58.200 0.007 0.000 0.958 345 S CB 0.275 63.479 63.200 0.006 0.000 0.797 345 S HN 0.166 nan 8.310 nan 0.000 0.493 346 L N 1.248 122.474 121.223 0.005 0.000 2.156 346 L HA 0.179 4.519 4.340 -0.000 0.000 0.208 346 L C 2.015 178.888 176.870 0.005 0.000 1.095 346 L CA 1.519 56.362 54.840 0.005 0.000 0.770 346 L CB -1.169 40.892 42.059 0.004 0.000 0.914 346 L HN 0.395 nan 8.230 nan 0.000 0.439 347 M N -1.580 118.024 119.600 0.006 0.000 2.419 347 M HA -0.124 4.355 4.480 -0.000 0.000 0.264 347 M C 2.029 178.333 176.300 0.006 0.000 1.082 347 M CA 0.985 56.288 55.300 0.006 0.000 1.119 347 M CB -0.090 32.514 32.600 0.006 0.000 1.398 347 M HN 0.299 nan 8.290 nan 0.000 0.453 348 Q N 0.250 120.054 119.800 0.006 0.000 2.137 348 Q HA -0.011 4.328 4.340 -0.000 0.000 0.198 348 Q C 2.090 178.093 176.000 0.005 0.000 0.960 348 Q CA 0.984 56.790 55.803 0.006 0.000 0.847 348 Q CB 0.129 28.871 28.738 0.007 0.000 0.915 348 Q HN 0.532 nan 8.270 nan 0.000 0.448 349 L N 0.126 121.352 121.223 0.005 0.000 2.027 349 L HA -0.146 4.194 4.340 -0.000 0.000 0.206 349 L C 2.534 179.406 176.870 0.004 0.000 1.074 349 L CA 0.972 55.815 54.840 0.004 0.000 0.745 349 L CB -0.606 41.456 42.059 0.004 0.000 0.898 349 L HN 0.181 nan 8.230 nan 0.000 0.433 350 A N -0.180 122.642 122.820 0.004 0.000 1.917 350 A HA -0.195 4.125 4.320 -0.000 0.000 0.219 350 A C 2.012 179.598 177.584 0.004 0.000 1.182 350 A CA 1.374 53.413 52.037 0.003 0.000 0.633 350 A CB -0.442 18.560 19.000 0.004 0.000 0.819 350 A HN 0.278 nan 8.150 nan 0.000 0.448 351 R N -0.674 119.828 120.500 0.004 0.000 2.391 351 R HA 0.076 4.416 4.340 -0.000 0.000 0.225 351 R C 1.127 177.430 176.300 0.004 0.000 1.079 351 R CA 0.771 56.873 56.100 0.004 0.000 1.147 351 R CB -0.287 30.016 30.300 0.005 0.000 1.103 351 R HN 0.807 nan 8.270 nan 0.000 0.499 352 Q N -1.319 118.483 119.800 0.004 0.000 2.215 352 Q HA 0.087 4.427 4.340 -0.000 0.000 0.257 352 Q C 1.376 177.378 176.000 0.003 0.000 0.792 352 Q CA 0.050 55.855 55.803 0.003 0.000 0.958 352 Q CB 0.901 29.641 28.738 0.003 0.000 1.158 352 Q HN 0.021 nan 8.270 nan 0.000 0.490 353 V N 0.658 120.573 119.914 0.003 0.000 2.379 353 V HA -0.177 3.943 4.120 -0.000 0.000 0.243 353 V C 2.247 178.342 176.094 0.002 0.000 1.035 353 V CA 1.733 64.035 62.300 0.002 0.000 1.035 353 V CB -0.461 31.364 31.823 0.002 0.000 0.673 353 V HN 0.495 nan 8.190 nan 0.000 0.457 354 S N 2.777 118.479 115.700 0.002 0.000 2.389 354 S HA -0.321 4.148 4.470 -0.000 0.000 0.231 354 S C 1.728 176.329 174.600 0.002 0.000 1.052 354 S CA 1.989 60.190 58.200 0.002 0.000 1.053 354 S CB -0.712 62.489 63.200 0.003 0.000 0.886 354 S HN 0.761 nan 8.310 nan 0.000 0.456 355 R N 0.567 121.069 120.500 0.002 0.000 2.541 355 R HA 0.372 4.711 4.340 -0.000 0.000 0.245 355 R C 0.554 176.856 176.300 0.002 0.000 1.154 355 R CA -0.154 55.947 56.100 0.002 0.000 1.179 355 R CB -0.378 29.923 30.300 0.003 0.000 1.189 355 R HN 0.236 nan 8.270 nan 0.000 0.526 356 L N 1.678 122.902 121.223 0.002 0.000 2.645 356 L HA 0.067 4.406 4.340 -0.000 0.000 0.235 356 L C 0.679 177.550 176.870 0.002 0.000 1.150 356 L CA 0.604 55.446 54.840 0.002 0.000 0.911 356 L CB -0.798 41.262 42.059 0.002 0.000 1.077 356 L HN 0.324 nan 8.230 nan 0.000 0.438 357 E N 0.000 120.201 120.200 0.002 0.000 2.725 357 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 357 E CA 0.000 56.401 56.400 0.001 0.000 0.976 357 E CB 0.000 29.701 29.700 0.001 0.000 0.812 357 E HN 0.000 nan 8.360 nan 0.000 0.440