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 1lbh_1_B 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 0.000 176.864 176.870 -0.010 0.000 1.165 62 L CA 0.000 54.835 54.840 -0.009 0.000 0.813 62 L CB 0.000 42.055 42.059 -0.007 0.000 0.961 63 L N 3.735 124.950 121.223 -0.013 0.000 2.457 63 L HA 0.527 4.868 4.340 0.002 0.000 0.259 63 L C -0.356 176.503 176.870 -0.020 0.000 1.377 63 L CA 0.179 55.010 54.840 -0.015 0.000 0.887 63 L CB 1.112 43.163 42.059 -0.014 0.000 1.085 63 L HN 0.367 nan 8.230 nan 0.000 0.509 64 I N 2.537 123.095 120.570 -0.020 0.000 2.741 64 I HA 0.194 4.365 4.170 0.002 0.000 0.288 64 I C 1.226 177.324 176.117 -0.031 0.000 1.192 64 I CA 0.714 61.998 61.300 -0.026 0.000 1.426 64 I CB 0.437 38.424 38.000 -0.022 0.000 1.367 64 I HN 0.679 nan 8.210 nan 0.000 0.563 65 G N 5.893 114.668 108.800 -0.042 0.000 2.332 65 G HA2 0.538 4.499 3.960 0.002 0.000 0.310 65 G HA3 0.538 4.499 3.960 0.002 0.000 0.310 65 G C -0.742 174.123 174.900 -0.057 0.000 1.123 65 G CA -0.324 44.747 45.100 -0.048 0.000 0.873 65 G HN 0.390 nan 8.290 nan 0.000 0.460 66 V N 1.900 121.786 119.914 -0.047 0.000 2.350 66 V HA 0.596 4.717 4.120 0.002 0.000 0.285 66 V C 0.345 176.413 176.094 -0.045 0.000 1.014 66 V CA -0.882 61.391 62.300 -0.045 0.000 0.831 66 V CB 1.261 33.068 31.823 -0.026 0.000 1.000 66 V HN 1.011 nan 8.190 nan 0.000 0.433 67 A N 3.550 126.334 122.820 -0.061 0.000 2.341 67 A HA 0.701 5.022 4.320 0.002 0.000 0.326 67 A C 0.150 177.728 177.584 -0.009 0.000 1.402 67 A CA -0.191 51.812 52.037 -0.056 0.000 0.957 67 A CB 0.784 19.725 19.000 -0.098 0.000 1.151 67 A HN 0.685 nan 8.150 nan 0.000 0.533 68 T N 1.307 115.873 114.554 0.020 0.000 2.938 68 T HA 0.560 4.911 4.350 0.002 0.000 0.285 68 T C 1.149 175.931 174.700 0.137 0.000 1.028 68 T CA -0.155 61.986 62.100 0.069 0.000 1.005 68 T CB 1.016 69.903 68.868 0.031 0.000 1.157 68 T HN 0.572 nan 8.240 nan 0.000 0.550 69 S N 0.678 116.468 115.700 0.149 0.000 2.463 69 S HA 0.258 4.729 4.470 0.002 0.000 0.241 69 S C 0.265 174.934 174.600 0.114 0.000 1.299 69 S CA -0.450 57.855 58.200 0.174 0.000 0.979 69 S CB 0.047 63.286 63.200 0.065 0.000 0.950 69 S HN 0.738 nan 8.310 nan 0.000 0.516 70 S N 0.483 116.238 115.700 0.092 0.000 2.499 70 S HA 0.229 4.700 4.470 0.002 0.000 0.275 70 S C 0.389 175.014 174.600 0.041 0.000 1.257 70 S CA -0.620 57.624 58.200 0.073 0.000 1.050 70 S CB 0.013 63.263 63.200 0.082 0.000 0.937 70 S HN 0.410 nan 8.310 nan 0.000 0.490 71 L N 5.185 126.428 121.223 0.034 0.000 2.627 71 L HA 0.267 4.608 4.340 0.002 0.000 0.233 71 L C 2.071 178.963 176.870 0.037 0.000 1.144 71 L CA 0.762 55.613 54.840 0.019 0.000 0.892 71 L CB -1.369 40.695 42.059 0.009 0.000 1.039 71 L HN 0.853 nan 8.230 nan 0.000 0.442 72 A N -0.818 122.034 122.820 0.053 0.000 1.873 72 A HA -0.028 4.293 4.320 0.002 0.000 0.215 72 A C 1.243 178.903 177.584 0.127 0.000 1.186 72 A CA 0.493 52.576 52.037 0.078 0.000 0.616 72 A CB -0.494 18.549 19.000 0.072 0.000 0.823 72 A HN 0.241 nan 8.150 nan 0.000 0.442 73 L N 0.582 121.847 121.223 0.070 0.000 2.490 73 L HA 0.055 4.396 4.340 0.002 0.000 0.274 73 L C 1.451 178.374 176.870 0.088 0.000 1.201 73 L CA -0.637 54.211 54.840 0.014 0.000 0.869 73 L CB 0.243 42.247 42.059 -0.092 0.000 1.123 73 L HN 0.434 nan 8.230 nan 0.000 0.484 74 H N 2.733 121.740 119.070 -0.106 0.000 2.321 74 H HA -0.129 4.428 4.556 0.002 0.000 0.300 74 H C 1.965 177.129 175.328 -0.274 0.000 1.087 74 H CA 1.327 57.289 56.048 -0.143 0.000 1.319 74 H CB -0.426 29.275 29.762 -0.101 0.000 1.379 74 H HN 0.805 nan 8.280 nan 0.000 0.501 75 A N 2.091 124.753 122.820 -0.263 0.000 1.849 75 A HA -0.141 4.180 4.320 0.002 0.000 0.217 75 A C 0.034 177.352 177.584 -0.443 0.000 1.202 75 A CA 2.174 53.852 52.037 -0.599 0.000 0.629 75 A CB -1.633 17.000 19.000 -0.610 0.000 0.834 75 A HN 0.398 nan 8.150 nan 0.000 0.447 76 P HA -0.121 nan 4.420 nan 0.000 0.220 76 P C 1.337 178.569 177.300 -0.114 0.000 1.144 76 P CA 1.848 64.862 63.100 -0.144 0.000 0.800 76 P CB -0.134 31.518 31.700 -0.080 0.000 0.772 77 S N -0.086 115.540 115.700 -0.124 0.000 2.371 77 S HA -0.052 4.419 4.470 0.002 0.000 0.221 77 S C 2.117 176.651 174.600 -0.110 0.000 1.036 77 S CA 0.679 58.826 58.200 -0.088 0.000 0.965 77 S CB -0.651 62.512 63.200 -0.062 0.000 0.845 77 S HN 0.268 nan 8.310 nan 0.000 0.475 78 Q N 0.446 120.137 119.800 -0.183 0.000 2.226 78 Q HA 0.000 4.341 4.340 0.002 0.000 0.204 78 Q C 1.961 177.898 176.000 -0.105 0.000 0.975 78 Q CA 0.908 56.613 55.803 -0.162 0.000 0.866 78 Q CB -0.290 28.296 28.738 -0.254 0.000 0.915 78 Q HN 0.538 nan 8.270 nan 0.000 0.440 79 I N 0.067 120.543 120.570 -0.157 0.000 2.193 79 I HA -0.220 3.951 4.170 0.002 0.000 0.240 79 I C 2.389 178.509 176.117 0.004 0.000 1.084 79 I CA 0.917 62.207 61.300 -0.017 0.000 1.365 79 I CB -0.492 37.502 38.000 -0.011 0.000 1.064 79 I HN 0.097 nan 8.210 nan 0.000 0.410 80 V N 0.012 119.913 119.914 -0.022 0.000 2.332 80 V HA -0.275 3.846 4.120 0.002 0.000 0.248 80 V C 2.647 178.738 176.094 -0.005 0.000 1.055 80 V CA 1.772 64.066 62.300 -0.010 0.000 1.038 80 V CB -1.729 30.084 31.823 -0.016 0.000 0.651 80 V HN 0.371 nan 8.190 nan 0.000 0.450 81 A N 0.954 123.767 122.820 -0.012 0.000 1.883 81 A HA -0.034 4.287 4.320 0.002 0.000 0.217 81 A C 2.523 180.114 177.584 0.012 0.000 1.186 81 A CA 2.799 54.833 52.037 -0.005 0.000 0.624 81 A CB -1.194 17.798 19.000 -0.013 0.000 0.822 81 A HN 1.003 nan 8.150 nan 0.000 0.444 82 A N -0.206 122.632 122.820 0.029 0.000 1.933 82 A HA -0.045 4.276 4.320 0.002 0.000 0.218 82 A C 2.041 179.648 177.584 0.039 0.000 1.175 82 A CA 1.575 53.643 52.037 0.052 0.000 0.628 82 A CB -0.450 18.611 19.000 0.102 0.000 0.814 82 A HN 0.450 nan 8.150 nan 0.000 0.444 83 I N 0.054 120.642 120.570 0.030 0.000 2.130 83 I HA -0.194 3.977 4.170 0.002 0.000 0.234 83 I C 2.437 178.560 176.117 0.010 0.000 1.067 83 I CA 1.988 63.299 61.300 0.019 0.000 1.339 83 I CB -1.298 36.709 38.000 0.012 0.000 1.073 83 I HN 0.416 nan 8.210 nan 0.000 0.405 84 K N 1.568 121.971 120.400 0.005 0.000 2.144 84 K HA -0.236 4.085 4.320 0.002 0.000 0.209 84 K C 2.250 178.852 176.600 0.002 0.000 1.047 84 K CA 2.328 58.615 56.287 0.000 0.000 0.927 84 K CB -0.646 31.852 32.500 -0.002 0.000 0.716 84 K HN 0.176 nan 8.250 nan 0.000 0.454 85 S N -0.648 115.056 115.700 0.007 0.000 2.383 85 S HA -0.102 4.369 4.470 0.002 0.000 0.227 85 S C 2.092 176.697 174.600 0.007 0.000 1.026 85 S CA 1.365 59.570 58.200 0.008 0.000 0.981 85 S CB -0.333 62.874 63.200 0.013 0.000 0.818 85 S HN 0.501 nan 8.310 nan 0.000 0.472 86 R N 0.876 121.382 120.500 0.009 0.000 2.127 86 R HA 0.341 4.682 4.340 0.002 0.000 0.217 86 R C 2.136 178.437 176.300 0.002 0.000 1.074 86 R CA 1.265 57.369 56.100 0.006 0.000 0.991 86 R CB -0.822 29.483 30.300 0.008 0.000 0.895 86 R HN 0.357 nan 8.270 nan 0.000 0.450 87 A N 0.404 123.225 122.820 0.001 0.000 2.067 87 A HA -0.121 4.200 4.320 0.002 0.000 0.219 87 A C 1.487 179.070 177.584 -0.002 0.000 1.158 87 A CA 1.604 53.640 52.037 -0.002 0.000 0.661 87 A CB -0.479 18.519 19.000 -0.004 0.000 0.801 87 A HN 0.320 nan 8.150 nan 0.000 0.452 88 D N 0.251 120.650 120.400 -0.001 0.000 2.088 88 D HA -0.194 4.447 4.640 0.002 0.000 0.191 88 D C 2.463 178.762 176.300 -0.001 0.000 0.992 88 D CA 1.921 55.920 54.000 -0.001 0.000 0.831 88 D CB -0.395 40.404 40.800 -0.000 0.000 0.973 88 D HN 0.761 nan 8.370 nan 0.000 0.447 89 Q N -0.133 119.666 119.800 -0.001 0.000 2.167 89 Q HA -0.107 4.234 4.340 0.002 0.000 0.202 89 Q C 2.121 178.120 176.000 -0.002 0.000 0.970 89 Q CA 0.763 56.565 55.803 -0.001 0.000 0.855 89 Q CB -0.288 28.449 28.738 -0.001 0.000 0.911 89 Q HN 0.200 nan 8.270 nan 0.000 0.438 90 L N 0.456 121.678 121.223 -0.002 0.000 2.201 90 L HA 0.075 4.416 4.340 0.002 0.000 0.212 90 L C 1.437 178.305 176.870 -0.003 0.000 1.105 90 L CA 1.866 56.705 54.840 -0.003 0.000 0.775 90 L CB -0.643 41.414 42.059 -0.003 0.000 0.913 90 L HN 0.575 nan 8.230 nan 0.000 0.440 91 G N -1.620 107.178 108.800 -0.003 0.000 2.140 91 G HA2 -0.037 3.925 3.960 0.002 0.000 0.211 91 G HA3 -0.037 3.925 3.960 0.002 0.000 0.211 91 G C 0.237 175.135 174.900 -0.004 0.000 1.013 91 G CA 0.047 45.145 45.100 -0.004 0.000 0.705 91 G HN 0.652 nan 8.290 nan 0.000 0.508 92 A N -0.692 122.126 122.820 -0.005 0.000 2.330 92 A HA 0.925 5.246 4.320 0.002 0.000 0.329 92 A C 0.320 177.900 177.584 -0.006 0.000 1.135 92 A CA 0.356 52.390 52.037 -0.006 0.000 0.817 92 A CB 1.778 20.774 19.000 -0.007 0.000 1.269 92 A HN 1.397 nan 8.150 nan 0.000 0.469 93 S N -0.073 115.622 115.700 -0.008 0.000 2.451 93 S HA 0.566 5.038 4.470 0.002 0.000 0.301 93 S C -0.800 173.794 174.600 -0.010 0.000 1.116 93 S CA -0.402 57.793 58.200 -0.008 0.000 1.093 93 S CB 0.668 63.864 63.200 -0.008 0.000 1.017 93 S HN 0.676 nan 8.310 nan 0.000 0.482 94 V N 5.239 125.147 119.914 -0.010 0.000 2.435 94 V HA 0.601 4.722 4.120 0.002 0.000 0.290 94 V C -0.298 175.788 176.094 -0.012 0.000 1.030 94 V CA -0.533 61.760 62.300 -0.012 0.000 0.881 94 V CB 1.653 33.471 31.823 -0.010 0.000 0.983 94 V HN 0.655 nan 8.190 nan 0.000 0.445 95 V N 6.843 126.748 119.914 -0.015 0.000 2.447 95 V HA 0.538 4.659 4.120 0.002 0.000 0.292 95 V C -0.381 175.702 176.094 -0.018 0.000 1.021 95 V CA -0.253 62.037 62.300 -0.015 0.000 0.850 95 V CB 1.988 33.802 31.823 -0.015 0.000 1.005 95 V HN 0.619 nan 8.190 nan 0.000 0.426 96 V N 5.506 125.411 119.914 -0.015 0.000 2.732 96 V HA 0.544 4.665 4.120 0.002 0.000 0.297 96 V C 0.495 176.580 176.094 -0.015 0.000 1.060 96 V CA 0.184 62.475 62.300 -0.015 0.000 1.038 96 V CB 1.803 33.620 31.823 -0.010 0.000 1.003 96 V HN 0.939 nan 8.190 nan 0.000 0.481 97 S N 5.107 120.796 115.700 -0.017 0.000 2.721 97 S HA 0.472 4.943 4.470 0.002 0.000 0.264 97 S C -0.534 174.056 174.600 -0.016 0.000 1.161 97 S CA -0.679 57.510 58.200 -0.018 0.000 1.113 97 S CB 0.437 63.621 63.200 -0.026 0.000 1.079 97 S HN 0.650 nan 8.310 nan 0.000 0.479 98 M N 3.161 122.758 119.600 -0.005 0.000 2.245 98 M HA 0.263 4.744 4.480 0.002 0.000 0.330 98 M C -0.281 176.015 176.300 -0.006 0.000 1.098 98 M CA 0.189 55.493 55.300 0.007 0.000 1.172 98 M CB 1.126 33.736 32.600 0.017 0.000 1.467 98 M HN 0.434 nan 8.290 nan 0.000 0.454 99 V N 3.347 123.263 119.914 0.003 0.000 2.638 99 V HA 0.265 4.386 4.120 0.002 0.000 0.306 99 V C -0.631 175.477 176.094 0.023 0.000 1.052 99 V CA -0.702 61.567 62.300 -0.052 0.000 0.885 99 V CB 2.014 33.701 31.823 -0.227 0.000 0.999 99 V HN 0.875 nan 8.190 nan 0.000 0.424 100 E N 3.969 124.176 120.200 0.010 0.000 2.556 100 E HA -0.016 4.335 4.350 0.002 0.000 0.273 100 E C 1.132 177.824 176.600 0.154 0.000 1.123 100 E CA 0.337 56.774 56.400 0.062 0.000 1.033 100 E CB 0.229 29.947 29.700 0.030 0.000 1.025 100 E HN 0.521 nan 8.360 nan 0.000 0.465 101 R N 1.230 121.816 120.500 0.143 0.000 2.075 101 R HA -0.124 4.217 4.340 0.002 0.000 0.232 101 R C 2.061 178.478 176.300 0.195 0.000 1.126 101 R CA 1.381 57.584 56.100 0.171 0.000 0.963 101 R CB -0.579 29.786 30.300 0.108 0.000 0.858 101 R HN 0.583 nan 8.270 nan 0.000 0.435 102 S N -1.097 114.687 115.700 0.140 0.000 2.489 102 S HA -0.148 4.323 4.470 0.002 0.000 0.261 102 S C 0.749 175.461 174.600 0.186 0.000 1.059 102 S CA 2.002 60.276 58.200 0.124 0.000 1.372 102 S CB -0.499 62.747 63.200 0.076 0.000 1.253 102 S HN 0.743 nan 8.310 nan 0.000 0.432 103 G N -2.808 106.109 108.800 0.196 0.000 2.317 103 G HA2 0.315 4.276 3.960 0.002 0.000 0.445 103 G HA3 0.315 4.276 3.960 0.002 0.000 0.445 103 G C 0.188 175.173 174.900 0.143 0.000 1.486 103 G CA -0.231 45.030 45.100 0.268 0.000 0.991 103 G HN 1.327 nan 8.290 nan 0.000 0.660 104 V N -0.671 119.348 119.914 0.176 0.000 0.607 104 V HA -0.430 3.691 4.120 0.002 0.000 0.092 104 V C 2.321 178.444 176.094 0.048 0.000 1.699 104 V CA 3.340 65.705 62.300 0.109 0.000 3.351 104 V CB -1.694 30.188 31.823 0.098 0.000 0.632 104 V HN 1.133 nan 8.190 nan 0.000 0.650 105 E N 0.203 120.426 120.200 0.038 0.000 2.152 105 E HA 0.139 4.490 4.350 0.002 0.000 0.192 105 E C 2.108 178.704 176.600 -0.007 0.000 0.983 105 E CA 1.351 57.764 56.400 0.022 0.000 0.818 105 E CB -0.396 29.315 29.700 0.018 0.000 0.758 105 E HN 0.798 nan 8.360 nan 0.000 0.467 106 A N 0.197 122.998 122.820 -0.033 0.000 1.851 106 A HA -0.260 4.061 4.320 0.002 0.000 0.216 106 A C 2.485 179.981 177.584 -0.146 0.000 1.195 106 A CA 1.610 53.600 52.037 -0.079 0.000 0.622 106 A CB -1.332 17.615 19.000 -0.089 0.000 0.831 106 A HN 0.520 nan 8.150 nan 0.000 0.444 107 C N -0.021 119.121 119.300 -0.263 0.000 2.413 107 C HA -0.141 4.320 4.460 0.002 0.000 0.276 107 C C 2.701 177.634 174.990 -0.095 0.000 1.248 107 C CA 1.669 60.508 59.018 -0.298 0.000 1.742 107 C CB -1.363 26.165 27.740 -0.353 0.000 2.017 107 C HN 0.630 nan 8.230 nan 0.000 0.481 108 K N -0.431 119.968 120.400 -0.001 0.000 2.020 108 K HA -0.185 4.136 4.320 0.002 0.000 0.212 108 K C 2.144 178.908 176.600 0.273 0.000 1.050 108 K CA 2.200 58.562 56.287 0.125 0.000 0.929 108 K CB -0.767 31.828 32.500 0.158 0.000 0.714 108 K HN 0.479 nan 8.250 nan 0.000 0.443 109 T N 0.816 115.464 114.554 0.158 0.000 2.746 109 T HA -0.137 4.215 4.350 0.002 0.000 0.267 109 T C 1.899 176.657 174.700 0.096 0.000 1.039 109 T CA 1.288 63.471 62.100 0.138 0.000 1.142 109 T CB -0.274 68.603 68.868 0.016 0.000 0.866 109 T HN 0.387 nan 8.240 nan 0.000 0.444 110 A N 0.964 123.790 122.820 0.010 0.000 1.873 110 A HA -0.133 4.189 4.320 0.002 0.000 0.218 110 A C 2.535 180.101 177.584 -0.029 0.000 1.193 110 A CA 1.998 54.016 52.037 -0.032 0.000 0.629 110 A CB -1.208 17.735 19.000 -0.093 0.000 0.826 110 A HN 0.380 nan 8.150 nan 0.000 0.447 111 V N -0.388 119.496 119.914 -0.050 0.000 2.282 111 V HA -0.355 3.766 4.120 0.002 0.000 0.249 111 V C 2.364 178.365 176.094 -0.154 0.000 1.057 111 V CA 2.659 64.883 62.300 -0.127 0.000 1.032 111 V CB -1.297 30.410 31.823 -0.193 0.000 0.645 111 V HN 0.753 nan 8.190 nan 0.000 0.447 112 H N 0.042 119.093 119.070 -0.031 0.000 2.353 112 H HA -0.121 4.436 4.556 0.002 0.000 0.300 112 H C 2.357 177.672 175.328 -0.022 0.000 1.090 112 H CA 1.807 57.842 56.048 -0.022 0.000 1.327 112 H CB -0.303 29.448 29.762 -0.017 0.000 1.383 112 H HN 0.379 nan 8.280 nan 0.000 0.508 113 N N 0.558 119.305 118.700 0.079 0.000 2.000 113 N HA -0.162 4.579 4.740 0.002 0.000 0.198 113 N C 1.929 177.442 175.510 0.006 0.000 1.057 113 N CA 1.357 54.426 53.050 0.033 0.000 0.858 113 N CB -0.695 37.800 38.487 0.013 0.000 1.057 113 N HN 0.251 nan 8.380 nan 0.000 0.423 114 L N 0.464 121.676 121.223 -0.017 0.000 2.089 114 L HA -0.204 4.137 4.340 0.002 0.000 0.213 114 L C 2.277 179.127 176.870 -0.033 0.000 1.079 114 L CA 0.942 55.763 54.840 -0.032 0.000 0.758 114 L CB -0.615 41.413 42.059 -0.051 0.000 0.891 114 L HN 0.183 nan 8.230 nan 0.000 0.433 115 L N -0.399 120.798 121.223 -0.043 0.000 2.083 115 L HA -0.212 4.129 4.340 0.002 0.000 0.209 115 L C 2.866 179.729 176.870 -0.011 0.000 1.083 115 L CA 1.187 56.003 54.840 -0.041 0.000 0.752 115 L CB -0.606 41.411 42.059 -0.070 0.000 0.899 115 L HN 0.272 nan 8.230 nan 0.000 0.433 116 A N -0.750 122.073 122.820 0.005 0.000 1.898 116 A HA -0.217 4.104 4.320 0.002 0.000 0.216 116 A C 2.090 179.675 177.584 0.002 0.000 1.181 116 A CA 1.153 53.197 52.037 0.011 0.000 0.620 116 A CB -0.389 18.623 19.000 0.020 0.000 0.819 116 A HN 0.346 nan 8.150 nan 0.000 0.442 117 Q N -0.921 118.877 119.800 -0.003 0.000 2.561 117 Q HA 0.026 4.367 4.340 0.002 0.000 0.217 117 Q C -0.072 175.923 176.000 -0.008 0.000 0.980 117 Q CA 0.715 56.514 55.803 -0.006 0.000 0.927 117 Q CB -0.374 28.358 28.738 -0.009 0.000 0.980 117 Q HN 0.627 nan 8.270 nan 0.000 0.525 118 R N -1.309 119.185 120.500 -0.009 0.000 3.322 118 R HA -0.134 4.207 4.340 0.002 0.000 0.266 118 R C -0.303 175.988 176.300 -0.015 0.000 1.072 118 R CA 0.402 56.496 56.100 -0.010 0.000 0.715 118 R CB -2.814 27.482 30.300 -0.006 0.000 1.199 118 R HN 0.226 nan 8.270 nan 0.000 0.421 119 V N -2.755 117.147 119.914 -0.021 0.000 3.376 119 V HA 0.250 4.372 4.120 0.002 0.000 0.303 119 V C 1.374 177.454 176.094 -0.024 0.000 1.100 119 V CA 0.429 62.715 62.300 -0.024 0.000 1.126 119 V CB 1.812 33.614 31.823 -0.034 0.000 1.085 119 V HN 0.274 nan 8.190 nan 0.000 0.480 120 S N 1.381 117.067 115.700 -0.024 0.000 2.398 120 S HA 0.435 4.906 4.470 0.002 0.000 0.220 120 S C 0.772 175.357 174.600 -0.026 0.000 1.046 120 S CA 0.609 58.797 58.200 -0.021 0.000 0.953 120 S CB 0.137 63.327 63.200 -0.016 0.000 0.856 120 S HN 1.405 nan 8.310 nan 0.000 0.506 121 G N 0.292 109.072 108.800 -0.032 0.000 2.694 121 G HA2 0.679 4.641 3.960 0.002 0.000 0.290 121 G HA3 0.679 4.641 3.960 0.002 0.000 0.290 121 G C -1.899 172.966 174.900 -0.058 0.000 1.386 121 G CA -0.799 44.277 45.100 -0.039 0.000 0.872 121 G HN 0.206 nan 8.290 nan 0.000 0.475 122 L N 0.359 121.532 121.223 -0.082 0.000 2.362 122 L HA 0.563 4.905 4.340 0.002 0.000 0.275 122 L C -0.553 176.222 176.870 -0.159 0.000 0.998 122 L CA -0.637 54.129 54.840 -0.123 0.000 0.820 122 L CB 2.396 44.358 42.059 -0.161 0.000 1.270 122 L HN 0.293 nan 8.230 nan 0.000 0.415 123 I N 4.200 124.687 120.570 -0.138 0.000 2.359 123 I HA 0.276 4.447 4.170 0.002 0.000 0.284 123 I C -0.627 175.389 176.117 -0.168 0.000 1.018 123 I CA -0.428 60.791 61.300 -0.135 0.000 1.173 123 I CB 1.553 39.514 38.000 -0.063 0.000 1.326 123 I HN 0.451 nan 8.210 nan 0.000 0.462 124 I N 6.557 126.948 120.570 -0.299 0.000 2.269 124 I HA 0.116 4.287 4.170 0.002 0.000 0.293 124 I C 0.504 176.592 176.117 -0.049 0.000 1.106 124 I CA 0.074 61.218 61.300 -0.260 0.000 1.248 124 I CB 0.005 37.661 38.000 -0.573 0.000 1.444 124 I HN 0.409 nan 8.210 nan 0.000 0.497 125 N N 6.808 125.528 118.700 0.033 0.000 2.719 125 N HA 0.169 4.910 4.740 0.002 0.000 0.243 125 N C -1.603 174.025 175.510 0.198 0.000 1.104 125 N CA -0.068 53.041 53.050 0.098 0.000 0.981 125 N CB 0.012 38.539 38.487 0.066 0.000 1.290 125 N HN 0.452 nan 8.380 nan 0.000 0.513 126 Y N 2.242 122.580 120.300 0.064 0.000 2.521 126 Y HA 0.334 4.885 4.550 0.002 0.000 0.326 126 Y C -2.778 173.196 175.900 0.124 0.000 1.176 126 Y CA -1.573 56.575 58.100 0.081 0.000 1.079 126 Y CB 1.812 40.311 38.460 0.065 0.000 1.341 126 Y HN 0.336 nan 8.280 nan 0.000 0.456 127 P HA 0.228 nan 4.420 nan 0.000 0.270 127 P C -1.361 175.942 177.300 0.005 0.000 1.242 127 P CA 0.352 63.339 63.100 -0.189 0.000 0.768 127 P CB 0.304 31.834 31.700 -0.284 0.000 0.820 128 L N 3.332 124.621 121.223 0.110 0.000 2.422 128 L HA 0.413 4.755 4.340 0.002 0.000 0.264 128 L C 0.024 176.929 176.870 0.058 0.000 0.984 128 L CA -0.562 54.361 54.840 0.139 0.000 0.819 128 L CB 1.994 44.183 42.059 0.217 0.000 1.330 128 L HN 0.226 nan 8.230 nan 0.000 0.410 129 D N 1.187 121.613 120.400 0.044 0.000 2.302 129 D HA 0.105 4.747 4.640 0.002 0.000 0.248 129 D C 0.626 176.918 176.300 -0.012 0.000 1.094 129 D CA -0.175 53.830 54.000 0.009 0.000 0.897 129 D CB 1.580 42.388 40.800 0.012 0.000 1.200 129 D HN 0.521 nan 8.370 nan 0.000 0.429 130 D N 0.744 121.124 120.400 -0.033 0.000 3.000 130 D HA -0.278 4.363 4.640 0.002 0.000 0.196 130 D C 1.758 178.025 176.300 -0.055 0.000 1.110 130 D CA 1.845 55.813 54.000 -0.054 0.000 0.873 130 D CB 0.240 41.014 40.800 -0.042 0.000 0.948 130 D HN 0.305 nan 8.370 nan 0.000 0.496 131 Q N 0.157 119.940 119.800 -0.028 0.000 2.061 131 Q HA -0.137 4.204 4.340 0.002 0.000 0.204 131 Q C 1.772 177.768 176.000 -0.007 0.000 0.984 131 Q CA 1.260 57.053 55.803 -0.017 0.000 0.846 131 Q CB -0.423 28.313 28.738 -0.004 0.000 0.902 131 Q HN 0.471 nan 8.270 nan 0.000 0.421 132 D N 0.232 120.640 120.400 0.013 0.000 2.097 132 D HA -0.122 4.519 4.640 0.002 0.000 0.195 132 D C 1.733 178.058 176.300 0.042 0.000 0.989 132 D CA 1.427 55.455 54.000 0.047 0.000 0.827 132 D CB -0.242 40.609 40.800 0.085 0.000 0.966 132 D HN 0.235 nan 8.370 nan 0.000 0.456 133 A N 1.122 123.928 122.820 -0.023 0.000 1.873 133 A HA -0.207 4.114 4.320 0.002 0.000 0.218 133 A C 2.418 179.876 177.584 -0.209 0.000 1.193 133 A CA 1.401 53.324 52.037 -0.191 0.000 0.629 133 A CB -0.951 17.812 19.000 -0.396 0.000 0.826 133 A HN 0.223 nan 8.150 nan 0.000 0.447 134 I N -0.201 120.280 120.570 -0.148 0.000 2.208 134 I HA -0.302 3.869 4.170 0.002 0.000 0.245 134 I C 2.943 179.053 176.117 -0.011 0.000 1.097 134 I CA 1.041 62.286 61.300 -0.090 0.000 1.363 134 I CB -0.439 37.523 38.000 -0.064 0.000 1.051 134 I HN 0.379 nan 8.210 nan 0.000 0.413 135 A N 0.797 123.627 122.820 0.016 0.000 1.841 135 A HA -0.187 4.134 4.320 0.002 0.000 0.216 135 A C 2.429 180.062 177.584 0.082 0.000 1.199 135 A CA 2.267 54.333 52.037 0.048 0.000 0.621 135 A CB -1.209 17.824 19.000 0.055 0.000 0.835 135 A HN 0.213 nan 8.150 nan 0.000 0.445 136 V N 0.530 120.518 119.914 0.124 0.000 2.370 136 V HA -0.355 3.766 4.120 0.002 0.000 0.252 136 V C 2.529 178.744 176.094 0.202 0.000 1.068 136 V CA 2.621 65.027 62.300 0.177 0.000 1.061 136 V CB -1.079 30.912 31.823 0.280 0.000 0.656 136 V HN 0.824 nan 8.190 nan 0.000 0.455 137 E N 0.899 121.248 120.200 0.248 0.000 2.049 137 E HA -0.275 4.077 4.350 0.002 0.000 0.198 137 E C 2.164 178.829 176.600 0.109 0.000 1.007 137 E CA 1.796 58.336 56.400 0.233 0.000 0.809 137 E CB -0.388 29.398 29.700 0.143 0.000 0.749 137 E HN 0.553 nan 8.360 nan 0.000 0.450 138 A N 0.775 123.638 122.820 0.072 0.000 2.070 138 A HA -0.014 4.307 4.320 0.002 0.000 0.220 138 A C 2.338 179.945 177.584 0.037 0.000 1.159 138 A CA 1.556 53.621 52.037 0.047 0.000 0.656 138 A CB -0.694 18.330 19.000 0.040 0.000 0.800 138 A HN 0.460 nan 8.150 nan 0.000 0.453 139 A N -0.560 122.283 122.820 0.039 0.000 1.902 139 A HA -0.198 4.123 4.320 0.002 0.000 0.217 139 A C 2.156 179.670 177.584 -0.117 0.000 1.181 139 A CA 1.668 53.701 52.037 -0.006 0.000 0.623 139 A CB -1.357 17.638 19.000 -0.009 0.000 0.818 139 A HN 0.692 nan 8.150 nan 0.000 0.443 140 C N -0.250 118.999 119.300 -0.084 0.000 2.430 140 C HA 0.109 4.571 4.460 0.002 0.000 0.288 140 C C 2.039 176.997 174.990 -0.053 0.000 1.448 140 C CA 0.822 59.783 59.018 -0.096 0.000 1.784 140 C CB -2.244 25.468 27.740 -0.047 0.000 1.776 140 C HN 0.943 nan 8.230 nan 0.000 0.547 141 T N 1.273 115.815 114.554 -0.021 0.000 13.957 141 T HA -0.433 3.918 4.350 0.002 0.000 0.419 141 T C 0.906 175.607 174.700 0.002 0.000 1.441 141 T CA 1.929 64.029 62.100 -0.001 0.000 2.339 141 T CB -1.579 67.290 68.868 0.001 0.000 2.770 141 T HN 0.620 nan 8.240 nan 0.000 0.371 142 N N 3.060 121.759 118.700 -0.001 0.000 2.422 142 N HA 0.136 4.877 4.740 0.002 0.000 0.181 142 N C 1.094 176.602 175.510 -0.003 0.000 1.080 142 N CA 0.819 53.870 53.050 0.001 0.000 0.893 142 N CB -0.193 38.295 38.487 0.002 0.000 0.973 142 N HN 1.199 nan 8.380 nan 0.000 0.456 143 V N 0.303 120.209 119.914 -0.013 0.000 2.715 143 V HA 0.367 4.489 4.120 0.002 0.000 0.299 143 V C -2.316 173.772 176.094 -0.010 0.000 1.054 143 V CA -1.808 60.482 62.300 -0.018 0.000 1.077 143 V CB 0.635 32.437 31.823 -0.034 0.000 0.972 143 V HN 0.024 nan 8.190 nan 0.000 0.484 144 P HA 0.452 nan 4.420 nan 0.000 0.276 144 P C -0.613 176.681 177.300 -0.011 0.000 1.235 144 P CA 0.069 63.171 63.100 0.004 0.000 0.772 144 P CB 1.363 33.065 31.700 0.002 0.000 0.871 145 A N 5.025 127.850 122.820 0.008 0.000 2.343 145 A HA 0.510 4.831 4.320 0.002 0.000 0.308 145 A C -0.760 176.823 177.584 -0.003 0.000 1.092 145 A CA -0.855 51.152 52.037 -0.050 0.000 0.751 145 A CB 1.134 20.073 19.000 -0.102 0.000 1.203 145 A HN 0.616 nan 8.150 nan 0.000 0.452 146 L N 2.553 123.735 121.223 -0.068 0.000 2.307 146 L HA 0.665 5.006 4.340 0.002 0.000 0.282 146 L C -1.566 175.255 176.870 -0.082 0.000 1.051 146 L CA -0.372 54.476 54.840 0.014 0.000 0.804 146 L CB 1.009 43.068 42.059 0.000 0.000 1.197 146 L HN 0.702 nan 8.230 nan 0.000 0.431 147 F N 4.580 124.541 119.950 0.019 0.000 2.458 147 F HA 0.334 4.862 4.527 0.002 0.000 0.336 147 F C 0.839 176.661 175.800 0.037 0.000 1.114 147 F CA -0.451 57.569 58.000 0.035 0.000 0.987 147 F CB 1.620 40.642 39.000 0.037 0.000 1.130 147 F HN 0.370 nan 8.300 nan 0.000 0.458 148 L N 1.008 122.346 121.223 0.192 0.000 2.470 148 L HA 0.168 4.509 4.340 0.002 0.000 0.219 148 L C 0.004 176.984 176.870 0.183 0.000 1.071 148 L CA 0.606 55.538 54.840 0.153 0.000 0.850 148 L CB 0.259 42.388 42.059 0.116 0.000 1.040 148 L HN 0.474 nan 8.230 nan 0.000 0.475 149 D N 0.982 121.504 120.400 0.203 0.000 2.412 149 D HA 0.408 5.049 4.640 0.002 0.000 0.276 149 D C -0.751 175.644 176.300 0.158 0.000 1.196 149 D CA 0.052 54.151 54.000 0.166 0.000 0.905 149 D CB 0.756 41.627 40.800 0.119 0.000 1.081 149 D HN -0.069 nan 8.370 nan 0.000 0.502 150 V N -0.759 119.232 119.914 0.128 0.000 3.202 150 V HA 0.663 4.784 4.120 0.002 0.000 0.306 150 V C 0.377 176.483 176.094 0.019 0.000 1.283 150 V CA -1.028 61.312 62.300 0.067 0.000 1.065 150 V CB 1.319 33.165 31.823 0.037 0.000 1.079 150 V HN 0.184 nan 8.190 nan 0.000 0.448 151 S N 1.698 117.384 115.700 -0.024 0.000 2.579 151 S HA 0.115 4.587 4.470 0.002 0.000 0.275 151 S C 0.805 175.394 174.600 -0.019 0.000 1.345 151 S CA 0.442 58.609 58.200 -0.054 0.000 1.031 151 S CB 0.311 63.477 63.200 -0.058 0.000 0.892 151 S HN 1.069 nan 8.310 nan 0.000 0.529 152 D N 0.569 120.968 120.400 -0.001 0.000 2.324 152 D HA -0.030 4.612 4.640 0.002 0.000 0.235 152 D C 0.854 177.181 176.300 0.045 0.000 1.095 152 D CA 0.304 54.349 54.000 0.074 0.000 0.871 152 D CB 0.219 41.148 40.800 0.214 0.000 0.906 152 D HN 0.393 nan 8.370 nan 0.000 0.522 153 Q N 0.174 119.978 119.800 0.007 0.000 2.442 153 Q HA 0.093 4.434 4.340 0.002 0.000 0.228 153 Q C 0.203 176.189 176.000 -0.023 0.000 0.902 153 Q CA 0.537 56.339 55.803 -0.002 0.000 0.933 153 Q CB 0.516 29.248 28.738 -0.009 0.000 1.071 153 Q HN 0.079 nan 8.270 nan 0.000 0.562 154 T N 2.859 117.386 114.554 -0.045 0.000 2.908 154 T HA -0.019 4.332 4.350 0.002 0.000 0.301 154 T C -1.906 172.746 174.700 -0.079 0.000 1.019 154 T CA -0.739 61.316 62.100 -0.074 0.000 1.152 154 T CB 0.555 69.352 68.868 -0.118 0.000 0.966 154 T HN 0.145 nan 8.240 nan 0.000 0.540 155 P HA -0.168 nan 4.420 nan 0.000 0.219 155 P C 1.211 178.474 177.300 -0.062 0.000 1.159 155 P CA 0.908 63.974 63.100 -0.057 0.000 0.944 155 P CB -0.339 31.327 31.700 -0.056 0.000 0.792 156 I N -1.457 119.045 120.570 -0.114 0.000 3.224 156 I HA -0.141 4.031 4.170 0.002 0.000 0.306 156 I C 0.103 176.210 176.117 -0.017 0.000 1.231 156 I CA 0.788 62.026 61.300 -0.103 0.000 1.421 156 I CB -0.333 37.465 38.000 -0.337 0.000 1.315 156 I HN 0.019 nan 8.210 nan 0.000 0.581 157 N N 4.256 123.003 118.700 0.078 0.000 2.483 157 N HA 0.207 4.948 4.740 0.002 0.000 0.264 157 N C -0.294 175.311 175.510 0.158 0.000 1.197 157 N CA 0.261 53.373 53.050 0.104 0.000 0.927 157 N CB 0.877 39.432 38.487 0.114 0.000 1.065 157 N HN 0.782 nan 8.380 nan 0.000 0.461 158 S N 1.181 116.941 115.700 0.099 0.000 2.552 158 S HA 0.549 5.020 4.470 0.002 0.000 0.272 158 S C -1.005 173.624 174.600 0.048 0.000 1.150 158 S CA -0.977 57.291 58.200 0.113 0.000 0.849 158 S CB 1.215 64.479 63.200 0.107 0.000 1.113 158 S HN 0.375 nan 8.310 nan 0.000 0.458 159 I N 2.365 122.952 120.570 0.027 0.000 2.418 159 I HA 0.510 4.682 4.170 0.002 0.000 0.287 159 I C -1.138 174.931 176.117 -0.080 0.000 1.008 159 I CA -0.831 60.436 61.300 -0.054 0.000 1.104 159 I CB 1.582 39.525 38.000 -0.094 0.000 1.264 159 I HN 0.553 nan 8.210 nan 0.000 0.438 160 I N 5.300 125.811 120.570 -0.097 0.000 2.730 160 I HA 0.413 4.584 4.170 0.002 0.000 0.298 160 I C -0.399 175.655 176.117 -0.106 0.000 1.089 160 I CA -0.717 60.567 61.300 -0.027 0.000 1.041 160 I CB 1.979 40.053 38.000 0.123 0.000 1.235 160 I HN 0.273 nan 8.210 nan 0.000 0.423 161 F N 1.707 121.703 119.950 0.076 0.000 2.399 161 F HA 0.165 4.693 4.527 0.002 0.000 0.342 161 F C 1.520 177.345 175.800 0.043 0.000 1.106 161 F CA -0.161 57.855 58.000 0.027 0.000 1.196 161 F CB 0.731 39.734 39.000 0.005 0.000 1.163 161 F HN 0.385 nan 8.300 nan 0.000 0.547 162 S N 2.236 118.010 115.700 0.123 0.000 2.711 162 S HA -0.085 4.387 4.470 0.002 0.000 0.335 162 S C 1.265 175.848 174.600 -0.028 0.000 1.175 162 S CA -0.361 57.819 58.200 -0.033 0.000 1.372 162 S CB -0.958 62.200 63.200 -0.069 0.000 1.337 162 S HN 0.692 nan 8.310 nan 0.000 0.572 163 H N 2.190 121.340 119.070 0.133 0.000 2.489 163 H HA 0.040 4.597 4.556 0.002 0.000 0.293 163 H C 1.741 177.123 175.328 0.090 0.000 1.066 163 H CA 1.475 57.597 56.048 0.123 0.000 1.305 163 H CB -0.052 29.757 29.762 0.078 0.000 1.386 163 H HN 0.580 nan 8.280 nan 0.000 0.551 164 E N 0.625 120.591 120.200 -0.390 0.000 2.076 164 E HA -0.104 4.247 4.350 0.002 0.000 0.190 164 E C 1.524 178.070 176.600 -0.090 0.000 0.979 164 E CA 1.128 57.461 56.400 -0.111 0.000 0.807 164 E CB -0.108 29.492 29.700 -0.166 0.000 0.761 164 E HN 0.472 nan 8.360 nan 0.000 0.454 165 D N -0.620 119.708 120.400 -0.121 0.000 2.194 165 D HA -0.029 4.612 4.640 0.002 0.000 0.204 165 D C 1.757 178.001 176.300 -0.094 0.000 0.964 165 D CA 1.114 55.036 54.000 -0.129 0.000 0.846 165 D CB -0.382 40.364 40.800 -0.091 0.000 0.962 165 D HN 0.326 nan 8.370 nan 0.000 0.490 166 G N 0.882 109.679 108.800 -0.006 0.000 2.514 166 G HA2 -0.324 3.638 3.960 0.002 0.000 0.217 166 G HA3 -0.324 3.638 3.960 0.002 0.000 0.217 166 G C 1.709 176.720 174.900 0.184 0.000 1.198 166 G CA 2.447 47.602 45.100 0.091 0.000 0.780 166 G HN 0.369 nan 8.290 nan 0.000 0.565 167 T N -0.584 114.062 114.554 0.154 0.000 2.777 167 T HA -0.070 4.282 4.350 0.002 0.000 0.266 167 T C 2.227 176.969 174.700 0.071 0.000 1.040 167 T CA 1.232 63.437 62.100 0.175 0.000 1.141 167 T CB -0.286 68.627 68.868 0.075 0.000 0.868 167 T HN 0.297 nan 8.240 nan 0.000 0.444 168 R N 0.710 121.003 120.500 -0.345 0.000 2.119 168 R HA -0.070 4.271 4.340 0.002 0.000 0.246 168 R C 2.460 178.610 176.300 -0.249 0.000 1.146 168 R CA 1.495 57.116 56.100 -0.799 0.000 0.962 168 R CB -0.570 29.075 30.300 -1.091 0.000 0.863 168 R HN 0.424 nan 8.270 nan 0.000 0.442 169 L N -0.901 120.248 121.223 -0.122 0.000 2.027 169 L HA -0.067 4.274 4.340 0.002 0.000 0.206 169 L C 2.584 179.496 176.870 0.070 0.000 1.074 169 L CA 1.539 56.364 54.840 -0.025 0.000 0.745 169 L CB -0.679 41.353 42.059 -0.045 0.000 0.898 169 L HN 0.409 nan 8.230 nan 0.000 0.433 170 G N -0.544 108.333 108.800 0.128 0.000 2.459 170 G HA2 -0.230 3.732 3.960 0.002 0.000 0.217 170 G HA3 -0.230 3.732 3.960 0.002 0.000 0.217 170 G C 1.569 176.576 174.900 0.178 0.000 1.183 170 G CA 1.082 46.297 45.100 0.192 0.000 0.776 170 G HN 0.180 nan 8.290 nan 0.000 0.552 171 V N 0.946 120.972 119.914 0.188 0.000 2.219 171 V HA -0.238 3.883 4.120 0.002 0.000 0.248 171 V C 2.694 178.865 176.094 0.128 0.000 1.053 171 V CA 2.436 64.832 62.300 0.161 0.000 1.009 171 V CB -0.719 31.247 31.823 0.238 0.000 0.636 171 V HN 0.480 nan 8.190 nan 0.000 0.445 172 E N -0.876 119.394 120.200 0.117 0.000 2.204 172 E HA -0.277 4.075 4.350 0.002 0.000 0.195 172 E C 2.113 178.777 176.600 0.106 0.000 0.990 172 E CA 1.452 57.912 56.400 0.099 0.000 0.821 172 E CB -0.243 29.501 29.700 0.073 0.000 0.750 172 E HN 0.768 nan 8.360 nan 0.000 0.477 173 H N 0.746 119.842 119.070 0.043 0.000 2.357 173 H HA -0.036 4.521 4.556 0.002 0.000 0.301 173 H C 1.961 177.332 175.328 0.072 0.000 1.082 173 H CA 1.314 57.389 56.048 0.045 0.000 1.342 173 H CB -0.042 29.742 29.762 0.037 0.000 1.389 173 H HN 0.038 nan 8.280 nan 0.000 0.511 174 L N -0.846 120.416 121.223 0.065 0.000 2.005 174 L HA -0.139 4.202 4.340 0.002 0.000 0.207 174 L C 2.513 179.435 176.870 0.086 0.000 1.072 174 L CA 1.001 55.882 54.840 0.068 0.000 0.744 174 L CB -0.452 41.623 42.059 0.026 0.000 0.895 174 L HN 0.187 nan 8.230 nan 0.000 0.433 175 V N 0.471 120.422 119.914 0.061 0.000 2.231 175 V HA -0.385 3.736 4.120 0.002 0.000 0.248 175 V C 2.810 178.908 176.094 0.006 0.000 1.054 175 V CA 2.094 64.423 62.300 0.047 0.000 1.015 175 V CB -1.083 30.772 31.823 0.054 0.000 0.638 175 V HN 0.529 nan 8.190 nan 0.000 0.444 176 A N -0.684 122.127 122.820 -0.015 0.000 1.948 176 A HA -0.224 4.097 4.320 0.002 0.000 0.220 176 A C 2.141 179.675 177.584 -0.082 0.000 1.177 176 A CA 1.989 54.001 52.037 -0.043 0.000 0.636 176 A CB -0.685 18.287 19.000 -0.047 0.000 0.815 176 A HN 0.537 nan 8.150 nan 0.000 0.449 177 L N -1.045 120.108 121.223 -0.116 0.000 2.622 177 L HA 0.057 4.398 4.340 0.002 0.000 0.233 177 L C 1.653 178.395 176.870 -0.213 0.000 1.156 177 L CA 0.562 55.316 54.840 -0.145 0.000 0.866 177 L CB -0.374 41.621 42.059 -0.107 0.000 0.980 177 L HN 0.663 nan 8.230 nan 0.000 0.448 178 G N -1.079 107.636 108.800 -0.143 0.000 2.136 178 G HA2 -0.245 3.716 3.960 0.002 0.000 0.242 178 G HA3 -0.245 3.716 3.960 0.002 0.000 0.242 178 G C 0.220 175.007 174.900 -0.189 0.000 0.989 178 G CA -0.283 44.721 45.100 -0.159 0.000 0.682 178 G HN 0.418 nan 8.290 nan 0.000 0.522 179 H N -0.629 118.417 119.070 -0.040 0.000 2.551 179 H HA 0.496 5.053 4.556 0.002 0.000 0.358 179 H C 1.045 176.356 175.328 -0.027 0.000 1.151 179 H CA 0.682 56.709 56.048 -0.034 0.000 1.374 179 H CB 1.765 31.504 29.762 -0.039 0.000 1.473 179 H HN 0.387 nan 8.280 nan 0.000 0.574 180 Q N 0.518 120.381 119.800 0.106 0.000 2.445 180 Q HA 0.084 4.425 4.340 0.002 0.000 0.257 180 Q C -0.324 175.694 176.000 0.030 0.000 0.806 180 Q CA 0.092 55.924 55.803 0.048 0.000 0.987 180 Q CB 0.981 29.733 28.738 0.025 0.000 1.248 180 Q HN 0.595 nan 8.270 nan 0.000 0.542 181 Q N 1.132 120.953 119.800 0.034 0.000 2.441 181 Q HA 0.399 4.740 4.340 0.002 0.000 0.234 181 Q C -1.076 174.911 176.000 -0.022 0.000 1.078 181 Q CA 0.083 55.889 55.803 0.004 0.000 0.907 181 Q CB 1.070 29.812 28.738 0.008 0.000 1.269 181 Q HN 0.240 nan 8.270 nan 0.000 0.502 182 I N 1.351 121.887 120.570 -0.057 0.000 2.474 182 I HA 0.639 4.810 4.170 0.002 0.000 0.294 182 I C -0.359 175.675 176.117 -0.139 0.000 1.005 182 I CA -0.939 60.291 61.300 -0.118 0.000 1.113 182 I CB 1.906 39.828 38.000 -0.131 0.000 1.289 182 I HN 0.462 nan 8.210 nan 0.000 0.436 183 A N 6.936 129.654 122.820 -0.171 0.000 2.337 183 A HA 0.874 5.195 4.320 0.002 0.000 0.331 183 A C -0.892 176.530 177.584 -0.270 0.000 1.137 183 A CA -0.572 51.362 52.037 -0.172 0.000 0.807 183 A CB 1.057 19.978 19.000 -0.132 0.000 1.250 183 A HN 0.673 nan 8.150 nan 0.000 0.468 184 L N 2.001 123.064 121.223 -0.267 0.000 2.313 184 L HA 0.481 4.822 4.340 0.002 0.000 0.283 184 L C -0.758 175.966 176.870 -0.243 0.000 1.013 184 L CA -0.323 54.276 54.840 -0.401 0.000 0.816 184 L CB 1.535 43.377 42.059 -0.363 0.000 1.236 184 L HN 0.629 nan 8.230 nan 0.000 0.419 185 L N 3.719 124.787 121.223 -0.259 0.000 2.324 185 L HA 0.626 4.967 4.340 0.002 0.000 0.274 185 L C 0.035 176.936 176.870 0.051 0.000 1.012 185 L CA -0.222 54.569 54.840 -0.082 0.000 0.859 185 L CB 1.293 43.316 42.059 -0.060 0.000 1.224 185 L HN 0.778 nan 8.230 nan 0.000 0.429 186 A N 3.254 126.152 122.820 0.131 0.000 2.264 186 A HA 0.759 5.080 4.320 0.002 0.000 0.304 186 A C 0.495 178.039 177.584 -0.067 0.000 1.100 186 A CA 0.077 52.248 52.037 0.223 0.000 0.839 186 A CB 1.022 20.174 19.000 0.254 0.000 1.121 186 A HN 0.725 nan 8.150 nan 0.000 0.496 187 G N -0.502 108.127 108.800 -0.284 0.000 2.553 187 G HA2 0.494 4.455 3.960 0.002 0.000 0.278 187 G HA3 0.494 4.455 3.960 0.002 0.000 0.278 187 G C -2.393 172.101 174.900 -0.676 0.000 1.349 187 G CA -1.194 43.379 45.100 -0.878 0.000 1.037 187 G HN 0.582 nan 8.290 nan 0.000 0.508 188 P HA 0.037 nan 4.420 nan 0.000 0.267 188 P C 1.228 178.355 177.300 -0.288 0.000 1.328 188 P CA -0.271 62.560 63.100 -0.449 0.000 0.990 188 P CB 0.514 31.954 31.700 -0.434 0.000 1.168 189 L N 2.854 123.961 121.223 -0.195 0.000 2.683 189 L HA -0.169 4.172 4.340 0.002 0.000 0.236 189 L C 1.657 178.475 176.870 -0.087 0.000 1.179 189 L CA 1.954 56.723 54.840 -0.119 0.000 0.822 189 L CB -1.244 40.769 42.059 -0.077 0.000 0.952 189 L HN 0.389 nan 8.230 nan 0.000 0.455 190 S N -2.845 112.802 115.700 -0.090 0.000 2.622 190 S HA 0.095 4.566 4.470 0.002 0.000 0.236 190 S C 0.658 175.232 174.600 -0.043 0.000 0.956 190 S CA -0.200 57.968 58.200 -0.053 0.000 0.971 190 S CB 0.102 63.278 63.200 -0.041 0.000 0.782 190 S HN 0.299 nan 8.310 nan 0.000 0.468 191 S N 0.807 116.479 115.700 -0.045 0.000 2.789 191 S HA 0.367 4.839 4.470 0.002 0.000 0.286 191 S C 1.047 175.658 174.600 0.019 0.000 1.153 191 S CA -0.518 57.685 58.200 0.006 0.000 1.084 191 S CB 0.801 64.056 63.200 0.093 0.000 1.036 191 S HN 0.280 nan 8.310 nan 0.000 0.484 192 V N 4.438 124.356 119.914 0.005 0.000 2.311 192 V HA -0.281 3.840 4.120 0.002 0.000 0.259 192 V C 2.566 178.653 176.094 -0.011 0.000 1.086 192 V CA 2.650 64.943 62.300 -0.011 0.000 1.078 192 V CB -2.084 29.735 31.823 -0.006 0.000 0.668 192 V HN 0.933 nan 8.190 nan 0.000 0.452 193 S N 1.451 117.183 115.700 0.054 0.000 2.371 193 S HA 0.033 4.504 4.470 0.002 0.000 0.224 193 S C 2.150 176.796 174.600 0.077 0.000 1.029 193 S CA 1.103 59.348 58.200 0.076 0.000 0.978 193 S CB -0.630 62.649 63.200 0.132 0.000 0.833 193 S HN 0.811 nan 8.310 nan 0.000 0.466 194 A N 2.068 124.982 122.820 0.158 0.000 1.972 194 A HA -0.013 4.308 4.320 0.002 0.000 0.219 194 A C 2.276 179.797 177.584 -0.105 0.000 1.169 194 A CA 1.414 53.464 52.037 0.021 0.000 0.635 194 A CB -0.576 18.320 19.000 -0.173 0.000 0.810 194 A HN 0.489 nan 8.150 nan 0.000 0.446 195 R N -0.373 120.081 120.500 -0.077 0.000 2.057 195 R HA 0.066 4.407 4.340 0.002 0.000 0.229 195 R C 1.858 178.089 176.300 -0.115 0.000 1.136 195 R CA 1.127 57.176 56.100 -0.085 0.000 0.952 195 R CB -0.323 29.939 30.300 -0.064 0.000 0.848 195 R HN 0.495 nan 8.270 nan 0.000 0.430 196 L N 0.331 121.473 121.223 -0.135 0.000 2.353 196 L HA -0.132 4.210 4.340 0.002 0.000 0.220 196 L C 2.200 178.970 176.870 -0.166 0.000 1.133 196 L CA 1.232 55.972 54.840 -0.166 0.000 0.798 196 L CB -0.318 41.556 42.059 -0.308 0.000 0.922 196 L HN 0.250 nan 8.230 nan 0.000 0.445 197 R N -0.764 119.539 120.500 -0.328 0.000 2.140 197 R HA -0.048 4.293 4.340 0.002 0.000 0.213 197 R C 2.102 177.806 176.300 -0.994 0.000 1.059 197 R CA 0.317 55.996 56.100 -0.700 0.000 1.000 197 R CB -0.202 29.498 30.300 -0.999 0.000 0.910 197 R HN 0.107 nan 8.270 nan 0.000 0.455 198 L N 1.313 122.201 121.223 -0.558 0.000 1.994 198 L HA -0.074 4.267 4.340 0.002 0.000 0.208 198 L C 2.178 179.133 176.870 0.142 0.000 1.071 198 L CA 1.974 56.768 54.840 -0.077 0.000 0.745 198 L CB -0.916 41.201 42.059 0.096 0.000 0.892 198 L HN 0.146 nan 8.230 nan 0.000 0.431 199 A N -0.184 122.667 122.820 0.052 0.000 1.852 199 A HA -0.217 4.104 4.320 0.002 0.000 0.217 199 A C 2.379 180.056 177.584 0.155 0.000 1.215 199 A CA 2.242 54.345 52.037 0.110 0.000 0.641 199 A CB -1.839 17.185 19.000 0.040 0.000 0.838 199 A HN 0.549 nan 8.150 nan 0.000 0.450 200 G N -2.276 106.587 108.800 0.105 0.000 2.532 200 G HA2 -0.268 3.694 3.960 0.002 0.000 0.222 200 G HA3 -0.268 3.694 3.960 0.002 0.000 0.222 200 G C 1.293 176.407 174.900 0.357 0.000 1.102 200 G CA 1.081 46.325 45.100 0.239 0.000 0.742 200 G HN 0.591 nan 8.290 nan 0.000 0.577 201 W N -0.014 121.385 121.300 0.165 0.000 2.441 201 W HA 0.152 4.814 4.660 0.002 0.000 0.302 201 W C 1.810 178.333 176.519 0.008 0.000 1.191 201 W CA 0.496 57.881 57.345 0.067 0.000 1.327 201 W CB -1.021 28.408 29.460 -0.052 0.000 1.128 201 W HN 0.361 nan 8.180 nan 0.000 0.522 202 H N -0.342 118.914 119.070 0.309 0.000 2.611 202 H HA -0.007 4.550 4.556 0.002 0.000 0.283 202 H C 1.804 177.184 175.328 0.088 0.000 1.075 202 H CA 1.111 57.257 56.048 0.163 0.000 1.184 202 H CB 0.100 29.934 29.762 0.120 0.000 1.294 202 H HN 0.102 nan 8.280 nan 0.000 0.619 203 K N -1.198 119.300 120.400 0.164 0.000 2.625 203 K HA -0.005 4.316 4.320 0.002 0.000 0.202 203 K C 0.666 177.200 176.600 -0.110 0.000 1.412 203 K CA -0.026 56.243 56.287 -0.030 0.000 0.989 203 K CB 0.055 32.463 32.500 -0.154 0.000 1.682 203 K HN 0.080 nan 8.250 nan 0.000 0.496 204 Y N 1.675 122.050 120.300 0.125 0.000 2.421 204 Y HA 0.010 4.561 4.550 0.002 0.000 0.292 204 Y C 1.837 177.792 175.900 0.091 0.000 1.136 204 Y CA 0.917 59.082 58.100 0.108 0.000 1.255 204 Y CB 0.067 38.603 38.460 0.126 0.000 0.991 204 Y HN 0.049 nan 8.280 nan 0.000 0.552 205 L N -1.658 119.680 121.223 0.192 0.000 2.162 205 L HA -0.113 4.228 4.340 0.002 0.000 0.205 205 L C 2.285 179.202 176.870 0.079 0.000 1.086 205 L CA 1.081 55.988 54.840 0.113 0.000 0.778 205 L CB -0.670 41.425 42.059 0.060 0.000 0.928 205 L HN 0.063 nan 8.230 nan 0.000 0.446 206 T N -0.474 114.123 114.554 0.072 0.000 2.622 206 T HA -0.151 4.200 4.350 0.002 0.000 0.266 206 T C 1.955 176.674 174.700 0.031 0.000 1.047 206 T CA 1.081 63.211 62.100 0.050 0.000 1.159 206 T CB -0.146 68.750 68.868 0.048 0.000 0.863 206 T HN 0.166 nan 8.240 nan 0.000 0.422 207 R N 1.338 121.844 120.500 0.011 0.000 2.249 207 R HA 0.020 4.361 4.340 0.002 0.000 0.230 207 R C 1.597 177.925 176.300 0.046 0.000 1.121 207 R CA 0.907 57.014 56.100 0.012 0.000 0.997 207 R CB -0.787 29.503 30.300 -0.016 0.000 0.867 207 R HN 0.528 nan 8.270 nan 0.000 0.465 208 N N -0.175 118.563 118.700 0.065 0.000 2.280 208 N HA -0.067 4.674 4.740 0.002 0.000 0.192 208 N C 0.196 175.734 175.510 0.046 0.000 1.109 208 N CA -0.063 53.026 53.050 0.065 0.000 0.855 208 N CB 0.370 38.908 38.487 0.085 0.000 0.974 208 N HN -0.014 nan 8.380 nan 0.000 0.482 209 Q N -0.728 119.096 119.800 0.040 0.000 2.559 209 Q HA -0.164 4.177 4.340 0.002 0.000 0.151 209 Q C -0.370 175.648 176.000 0.031 0.000 0.725 209 Q CA 0.931 56.753 55.803 0.031 0.000 1.230 209 Q CB -1.153 27.600 28.738 0.025 0.000 1.099 209 Q HN 0.335 nan 8.270 nan 0.000 1.047 210 I N 1.346 121.936 120.570 0.033 0.000 2.813 210 I HA 0.035 4.206 4.170 0.002 0.000 0.287 210 I C 0.463 176.595 176.117 0.025 0.000 1.196 210 I CA 0.498 61.814 61.300 0.026 0.000 1.421 210 I CB 0.567 38.583 38.000 0.027 0.000 1.365 210 I HN 0.121 nan 8.210 nan 0.000 0.591 211 Q N 7.111 126.922 119.800 0.018 0.000 2.337 211 Q HA 0.391 4.732 4.340 0.002 0.000 0.270 211 Q C -2.401 173.598 176.000 -0.000 0.000 1.043 211 Q CA -1.890 53.926 55.803 0.022 0.000 0.794 211 Q CB 1.865 30.627 28.738 0.039 0.000 1.281 211 Q HN 0.226 nan 8.270 nan 0.000 0.446 212 P HA -0.050 nan 4.420 nan 0.000 0.255 212 P C 0.410 177.696 177.300 -0.025 0.000 1.173 212 P CA 0.469 63.533 63.100 -0.060 0.000 0.780 212 P CB 0.053 31.680 31.700 -0.122 0.000 0.758 213 I N 0.433 120.981 120.570 -0.037 0.000 3.334 213 I HA 0.249 4.420 4.170 0.002 0.000 0.282 213 I C 0.627 176.727 176.117 -0.028 0.000 1.313 213 I CA 0.162 61.447 61.300 -0.025 0.000 1.396 213 I CB -0.162 37.822 38.000 -0.027 0.000 1.054 213 I HN 0.234 nan 8.210 nan 0.000 0.495 214 A N 0.920 123.715 122.820 -0.041 0.000 2.601 214 A HA 0.757 5.078 4.320 0.002 0.000 0.291 214 A C -1.178 176.381 177.584 -0.041 0.000 1.075 214 A CA -0.547 51.467 52.037 -0.039 0.000 0.671 214 A CB 1.479 20.446 19.000 -0.055 0.000 1.277 214 A HN 0.306 nan 8.150 nan 0.000 0.417 215 E N 0.496 120.684 120.200 -0.020 0.000 2.415 215 E HA 0.486 4.837 4.350 0.002 0.000 0.302 215 E C -1.215 175.383 176.600 -0.002 0.000 0.907 215 E CA -0.622 55.780 56.400 0.003 0.000 0.798 215 E CB 0.963 30.710 29.700 0.078 0.000 1.315 215 E HN 0.636 nan 8.360 nan 0.000 0.396 216 R N 2.434 122.925 120.500 -0.015 0.000 2.912 216 R HA 0.513 4.854 4.340 0.002 0.000 0.262 216 R C -0.824 175.465 176.300 -0.018 0.000 1.057 216 R CA -0.919 55.167 56.100 -0.023 0.000 0.981 216 R CB 1.313 31.588 30.300 -0.041 0.000 1.201 216 R HN 0.622 nan 8.270 nan 0.000 0.484 217 E N -0.152 120.025 120.200 -0.038 0.000 2.191 217 E HA 0.516 4.867 4.350 0.002 0.000 0.263 217 E C -0.667 175.879 176.600 -0.090 0.000 0.881 217 E CA -0.510 55.849 56.400 -0.068 0.000 0.757 217 E CB 1.591 31.250 29.700 -0.068 0.000 1.147 217 E HN 0.730 nan 8.360 nan 0.000 0.414 218 G N 2.077 110.798 108.800 -0.132 0.000 2.990 218 G HA2 0.299 4.260 3.960 0.002 0.000 0.208 218 G HA3 0.299 4.260 3.960 0.002 0.000 0.208 218 G C -0.308 174.459 174.900 -0.222 0.000 1.334 218 G CA -0.227 44.797 45.100 -0.127 0.000 1.024 218 G HN 0.670 nan 8.290 nan 0.000 0.574 219 D N -3.350 116.939 120.400 -0.184 0.000 2.651 219 D HA 0.031 4.672 4.640 0.002 0.000 0.280 219 D C 0.197 176.460 176.300 -0.061 0.000 1.496 219 D CA -0.656 53.197 54.000 -0.245 0.000 0.792 219 D CB -0.882 39.857 40.800 -0.103 0.000 1.144 219 D HN 0.753 nan 8.370 nan 0.000 0.470 220 W N 0.421 121.718 121.300 -0.006 0.000 1.432 220 W HA -0.257 4.404 4.660 0.001 0.000 0.247 220 W C 0.342 176.839 176.519 -0.036 0.000 1.009 220 W CA 0.221 57.554 57.345 -0.020 0.000 0.410 220 W CB -2.084 27.357 29.460 -0.032 0.000 2.021 220 W HN 0.219 nan 8.180 nan 0.000 1.167 221 S N 0.220 116.016 115.700 0.161 0.000 2.687 221 S HA 0.830 5.301 4.470 0.002 0.000 0.283 221 S C 0.947 175.584 174.600 0.062 0.000 1.170 221 S CA -0.332 57.920 58.200 0.086 0.000 1.008 221 S CB 1.965 65.206 63.200 0.068 0.000 1.026 221 S HN 0.459 nan 8.310 nan 0.000 0.541 222 A N 1.637 124.474 122.820 0.027 0.000 1.898 222 A HA -0.021 4.300 4.320 0.002 0.000 0.216 222 A C 2.188 179.798 177.584 0.043 0.000 1.181 222 A CA 1.200 53.241 52.037 0.006 0.000 0.620 222 A CB -0.823 18.150 19.000 -0.044 0.000 0.819 222 A HN 0.768 nan 8.150 nan 0.000 0.442 223 M N -0.222 119.401 119.600 0.039 0.000 2.080 223 M HA -0.121 4.360 4.480 0.002 0.000 0.260 223 M C 2.496 178.885 176.300 0.148 0.000 1.068 223 M CA 1.917 57.268 55.300 0.085 0.000 1.109 223 M CB -1.294 31.332 32.600 0.044 0.000 1.342 223 M HN 0.538 nan 8.290 nan 0.000 0.405 224 S N 0.052 115.804 115.700 0.087 0.000 2.359 224 S HA -0.147 4.324 4.470 0.002 0.000 0.223 224 S C 1.973 176.609 174.600 0.060 0.000 1.039 224 S CA 1.925 60.160 58.200 0.058 0.000 1.042 224 S CB -0.664 62.553 63.200 0.029 0.000 0.915 224 S HN 0.609 nan 8.310 nan 0.000 0.439 225 G N -0.340 108.505 108.800 0.076 0.000 2.422 225 G HA2 -0.132 3.829 3.960 0.002 0.000 0.218 225 G HA3 -0.132 3.829 3.960 0.002 0.000 0.218 225 G C 1.245 176.194 174.900 0.082 0.000 1.140 225 G CA 0.766 45.903 45.100 0.063 0.000 0.775 225 G HN 0.573 nan 8.290 nan 0.000 0.545 226 F N 1.281 121.216 119.950 -0.026 0.000 2.128 226 F HA 0.001 4.529 4.527 0.002 0.000 0.295 226 F C 2.942 178.728 175.800 -0.024 0.000 1.100 226 F CA 1.782 59.765 58.000 -0.028 0.000 1.260 226 F CB -0.208 38.775 39.000 -0.028 0.000 1.009 226 F HN 0.202 nan 8.300 nan 0.000 0.476 227 Q N -0.214 119.601 119.800 0.024 0.000 1.993 227 Q HA -0.220 4.121 4.340 0.002 0.000 0.202 227 Q C 2.123 178.042 176.000 -0.135 0.000 0.984 227 Q CA 1.589 57.340 55.803 -0.086 0.000 0.837 227 Q CB -0.504 28.255 28.738 0.035 0.000 0.902 227 Q HN 0.395 nan 8.270 nan 0.000 0.423 228 Q N -0.090 119.665 119.800 -0.075 0.000 2.308 228 Q HA -0.120 4.221 4.340 0.002 0.000 0.209 228 Q C 1.715 177.652 176.000 -0.106 0.000 0.985 228 Q CA 1.441 57.199 55.803 -0.076 0.000 0.881 228 Q CB -0.197 28.511 28.738 -0.050 0.000 0.917 228 Q HN 0.412 nan 8.270 nan 0.000 0.443 229 T N 0.542 115.007 114.554 -0.148 0.000 3.051 229 T HA 0.013 4.364 4.350 0.002 0.000 0.255 229 T C 1.846 176.419 174.700 -0.212 0.000 1.085 229 T CA 0.790 62.794 62.100 -0.159 0.000 1.109 229 T CB 0.002 68.788 68.868 -0.137 0.000 0.921 229 T HN 0.419 nan 8.240 nan 0.000 0.488 230 M N 0.738 120.148 119.600 -0.316 0.000 2.287 230 M HA 0.169 4.650 4.480 0.002 0.000 0.266 230 M C 2.088 178.282 176.300 -0.176 0.000 1.079 230 M CA 1.351 56.469 55.300 -0.303 0.000 1.146 230 M CB -0.374 31.960 32.600 -0.444 0.000 1.374 230 M HN -0.060 nan 8.290 nan 0.000 0.435 231 Q N 0.612 120.322 119.800 -0.151 0.000 1.967 231 Q HA -0.149 4.192 4.340 0.002 0.000 0.202 231 Q C 2.389 178.340 176.000 -0.083 0.000 0.985 231 Q CA 2.116 57.861 55.803 -0.097 0.000 0.839 231 Q CB -0.454 28.237 28.738 -0.079 0.000 0.906 231 Q HN 0.669 nan 8.270 nan 0.000 0.423 232 M N 0.538 120.087 119.600 -0.085 0.000 2.195 232 M HA -0.193 4.288 4.480 0.002 0.000 0.260 232 M C 1.534 177.793 176.300 -0.068 0.000 1.066 232 M CA 1.530 56.788 55.300 -0.071 0.000 1.089 232 M CB -0.008 32.547 32.600 -0.074 0.000 1.377 232 M HN 0.248 nan 8.290 nan 0.000 0.411 233 L N -0.642 120.532 121.223 -0.082 0.000 2.509 233 L HA -0.040 4.301 4.340 0.002 0.000 0.222 233 L C 1.055 177.888 176.870 -0.062 0.000 1.123 233 L CA 0.257 55.054 54.840 -0.071 0.000 0.856 233 L CB -0.490 41.520 42.059 -0.082 0.000 0.985 233 L HN 0.274 nan 8.230 nan 0.000 0.456 234 N N 0.491 119.152 118.700 -0.066 0.000 2.398 234 N HA -0.083 4.658 4.740 0.002 0.000 0.188 234 N C 0.950 176.436 175.510 -0.040 0.000 1.122 234 N CA 0.326 53.345 53.050 -0.053 0.000 0.866 234 N CB 0.348 38.800 38.487 -0.058 0.000 0.970 234 N HN 0.464 nan 8.380 nan 0.000 0.462 235 E N -2.070 118.106 120.200 -0.040 0.000 2.810 235 E HA 0.276 4.627 4.350 0.002 0.000 0.214 235 E C 0.724 177.307 176.600 -0.028 0.000 0.980 235 E CA 0.103 56.484 56.400 -0.031 0.000 1.159 235 E CB 0.183 29.864 29.700 -0.031 0.000 1.047 235 E HN 0.023 nan 8.360 nan 0.000 0.484 236 G N 1.595 110.377 108.800 -0.029 0.000 2.232 236 G HA2 -0.260 3.702 3.960 0.002 0.000 0.226 236 G HA3 -0.260 3.702 3.960 0.002 0.000 0.226 236 G C 0.298 175.182 174.900 -0.026 0.000 0.996 236 G CA 0.039 45.124 45.100 -0.025 0.000 0.626 236 G HN 0.308 nan 8.290 nan 0.000 0.509 237 I N 2.628 123.179 120.570 -0.032 0.000 2.293 237 I HA 0.317 4.488 4.170 0.002 0.000 0.299 237 I C 0.288 176.383 176.117 -0.037 0.000 1.153 237 I CA -0.349 60.931 61.300 -0.033 0.000 1.302 237 I CB 0.905 38.882 38.000 -0.038 0.000 1.460 237 I HN -0.052 nan 8.210 nan 0.000 0.552 238 V N 7.947 127.844 119.914 -0.029 0.000 2.270 238 V HA 0.293 4.414 4.120 0.002 0.000 0.263 238 V C -1.722 174.358 176.094 -0.023 0.000 1.066 238 V CA -1.294 60.990 62.300 -0.028 0.000 0.857 238 V CB -0.013 31.798 31.823 -0.020 0.000 1.099 238 V HN 0.530 nan 8.190 nan 0.000 0.476 239 P HA 0.426 nan 4.420 nan 0.000 0.328 239 P C 0.510 177.802 177.300 -0.013 0.000 1.305 239 P CA -0.168 62.915 63.100 -0.028 0.000 0.745 239 P CB 0.908 32.574 31.700 -0.056 0.000 1.462 240 T N -4.644 109.909 114.554 -0.001 0.000 3.043 240 T HA 0.683 5.034 4.350 0.002 0.000 0.272 240 T C 0.264 174.886 174.700 -0.131 0.000 0.990 240 T CA -0.058 62.074 62.100 0.053 0.000 0.897 240 T CB -0.145 68.858 68.868 0.225 0.000 1.111 240 T HN 0.700 nan 8.240 nan 0.000 0.529 241 A N 1.111 123.798 122.820 -0.223 0.000 2.597 241 A HA 0.783 5.104 4.320 0.002 0.000 0.292 241 A C -1.740 175.706 177.584 -0.230 0.000 1.057 241 A CA -0.964 50.861 52.037 -0.354 0.000 0.674 241 A CB 1.245 19.861 19.000 -0.640 0.000 1.278 241 A HN 0.262 nan 8.150 nan 0.000 0.416 242 M N 1.593 121.067 119.600 -0.209 0.000 2.433 242 M HA 0.449 4.930 4.480 0.002 0.000 0.290 242 M C -1.574 174.586 176.300 -0.233 0.000 1.173 242 M CA -0.242 54.932 55.300 -0.210 0.000 0.905 242 M CB 2.175 34.686 32.600 -0.148 0.000 1.692 242 M HN 0.545 nan 8.290 nan 0.000 0.462 243 L N 3.669 124.657 121.223 -0.391 0.000 2.294 243 L HA 0.606 4.947 4.340 0.002 0.000 0.283 243 L C -0.732 175.868 176.870 -0.449 0.000 1.015 243 L CA -0.935 53.624 54.840 -0.469 0.000 0.831 243 L CB 1.411 42.886 42.059 -0.973 0.000 1.217 243 L HN 0.419 nan 8.230 nan 0.000 0.420 244 V N 1.664 121.550 119.914 -0.046 0.000 2.612 244 V HA 0.341 4.462 4.120 0.002 0.000 0.301 244 V C 1.072 177.404 176.094 0.397 0.000 1.046 244 V CA -0.409 61.961 62.300 0.116 0.000 0.946 244 V CB 1.566 33.456 31.823 0.111 0.000 1.003 244 V HN 0.884 nan 8.190 nan 0.000 0.459 245 A N 3.205 126.299 122.820 0.456 0.000 2.209 245 A HA 0.116 4.438 4.320 0.002 0.000 0.212 245 A C 0.784 178.628 177.584 0.432 0.000 1.158 245 A CA 1.335 53.628 52.037 0.427 0.000 0.742 245 A CB -0.761 18.449 19.000 0.350 0.000 0.790 245 A HN 1.132 nan 8.150 nan 0.000 0.472 246 N N -2.957 115.987 118.700 0.407 0.000 3.355 246 N HA 0.078 4.819 4.740 0.002 0.000 0.238 246 N C -0.952 174.718 175.510 0.267 0.000 1.466 246 N CA -0.205 53.044 53.050 0.330 0.000 0.882 246 N CB -0.183 38.443 38.487 0.231 0.000 1.406 246 N HN -0.196 nan 8.380 nan 0.000 0.500 247 D N -0.002 120.530 120.400 0.219 0.000 2.224 247 D HA -0.034 4.607 4.640 0.002 0.000 0.205 247 D C 1.211 177.666 176.300 0.257 0.000 0.965 247 D CA 1.270 55.424 54.000 0.257 0.000 0.852 247 D CB 0.155 41.110 40.800 0.259 0.000 0.947 247 D HN 0.573 nan 8.370 nan 0.000 0.494 248 Q N -0.308 119.578 119.800 0.142 0.000 2.079 248 Q HA 0.004 4.345 4.340 0.002 0.000 0.200 248 Q C 2.204 178.233 176.000 0.048 0.000 0.974 248 Q CA 0.782 56.619 55.803 0.056 0.000 0.840 248 Q CB -0.018 28.685 28.738 -0.058 0.000 0.898 248 Q HN 0.293 nan 8.270 nan 0.000 0.430 249 M N -0.216 119.453 119.600 0.115 0.000 2.213 249 M HA -0.122 4.359 4.480 0.002 0.000 0.263 249 M C 2.153 178.496 176.300 0.071 0.000 1.062 249 M CA 1.205 56.567 55.300 0.103 0.000 1.105 249 M CB -0.125 32.561 32.600 0.143 0.000 1.385 249 M HN 0.218 nan 8.290 nan 0.000 0.417 250 A N 0.020 122.891 122.820 0.085 0.000 2.066 250 A HA -0.074 4.247 4.320 0.002 0.000 0.218 250 A C 2.084 179.655 177.584 -0.021 0.000 1.157 250 A CA 0.743 52.816 52.037 0.061 0.000 0.670 250 A CB -0.638 18.433 19.000 0.118 0.000 0.804 250 A HN 0.503 nan 8.150 nan 0.000 0.453 251 L N -0.583 120.554 121.223 -0.144 0.000 2.005 251 L HA -0.099 4.242 4.340 0.002 0.000 0.207 251 L C 2.523 179.286 176.870 -0.178 0.000 1.072 251 L CA 1.821 56.415 54.840 -0.410 0.000 0.744 251 L CB -0.837 40.811 42.059 -0.685 0.000 0.895 251 L HN 0.431 nan 8.230 nan 0.000 0.433 252 G N -0.913 107.845 108.800 -0.070 0.000 2.421 252 G HA2 -0.283 3.678 3.960 0.002 0.000 0.216 252 G HA3 -0.283 3.678 3.960 0.002 0.000 0.216 252 G C 1.674 176.684 174.900 0.183 0.000 1.171 252 G CA 0.784 45.927 45.100 0.072 0.000 0.775 252 G HN 0.574 nan 8.290 nan 0.000 0.543 253 A N 0.504 123.378 122.820 0.089 0.000 1.948 253 A HA -0.101 4.220 4.320 0.002 0.000 0.220 253 A C 2.462 180.073 177.584 0.046 0.000 1.177 253 A CA 2.078 54.146 52.037 0.051 0.000 0.636 253 A CB -0.377 18.634 19.000 0.019 0.000 0.815 253 A HN 0.416 nan 8.150 nan 0.000 0.449 254 M N -1.787 117.834 119.600 0.035 0.000 2.099 254 M HA -0.100 4.381 4.480 0.002 0.000 0.262 254 M C 2.391 178.727 176.300 0.059 0.000 1.067 254 M CA 1.839 57.157 55.300 0.029 0.000 1.124 254 M CB -0.222 32.381 32.600 0.005 0.000 1.353 254 M HN 0.513 nan 8.290 nan 0.000 0.410 255 R N 0.566 121.120 120.500 0.090 0.000 2.096 255 R HA -0.140 4.201 4.340 0.002 0.000 0.235 255 R C 2.048 178.497 176.300 0.249 0.000 1.127 255 R CA 1.575 57.756 56.100 0.134 0.000 0.968 255 R CB -0.286 30.063 30.300 0.081 0.000 0.861 255 R HN 0.346 nan 8.270 nan 0.000 0.440 256 A N 1.635 124.643 122.820 0.313 0.000 1.842 256 A HA -0.210 4.111 4.320 0.002 0.000 0.217 256 A C 2.152 179.739 177.584 0.004 0.000 1.206 256 A CA 1.906 53.973 52.037 0.049 0.000 0.630 256 A CB -0.889 17.997 19.000 -0.191 0.000 0.839 256 A HN 0.399 nan 8.150 nan 0.000 0.447 257 I N -0.041 120.527 120.570 -0.004 0.000 2.479 257 I HA -0.281 3.890 4.170 0.002 0.000 0.258 257 I C 2.238 178.363 176.117 0.013 0.000 1.165 257 I CA 1.706 63.000 61.300 -0.009 0.000 1.422 257 I CB -0.546 37.450 38.000 -0.006 0.000 1.087 257 I HN 0.382 nan 8.210 nan 0.000 0.441 258 T N -0.440 114.137 114.554 0.038 0.000 2.866 258 T HA -0.026 4.325 4.350 0.002 0.000 0.250 258 T C 1.580 176.305 174.700 0.043 0.000 1.033 258 T CA 0.536 62.660 62.100 0.039 0.000 1.145 258 T CB -0.120 68.775 68.868 0.045 0.000 0.866 258 T HN 0.349 nan 8.240 nan 0.000 0.434 259 E N 2.084 122.326 120.200 0.070 0.000 2.455 259 E HA -0.030 4.321 4.350 0.002 0.000 0.202 259 E C 1.313 177.934 176.600 0.035 0.000 1.045 259 E CA 0.615 57.056 56.400 0.068 0.000 0.872 259 E CB -0.252 29.524 29.700 0.128 0.000 0.792 259 E HN 0.344 nan 8.360 nan 0.000 0.542 260 S N -0.539 115.170 115.700 0.016 0.000 2.577 260 S HA 0.260 4.731 4.470 0.002 0.000 0.219 260 S C 1.314 175.914 174.600 0.000 0.000 0.962 260 S CA 0.365 58.563 58.200 -0.003 0.000 0.921 260 S CB 0.886 64.071 63.200 -0.025 0.000 0.789 260 S HN 0.495 nan 8.310 nan 0.000 0.497 261 G N 1.150 109.955 108.800 0.008 0.000 2.179 261 G HA2 -0.199 3.762 3.960 0.002 0.000 0.260 261 G HA3 -0.199 3.762 3.960 0.002 0.000 0.260 261 G C -0.160 174.744 174.900 0.007 0.000 0.977 261 G CA -0.274 44.830 45.100 0.007 0.000 0.641 261 G HN 0.375 nan 8.290 nan 0.000 0.533 262 L N 0.765 121.992 121.223 0.006 0.000 2.307 262 L HA 0.542 4.883 4.340 0.002 0.000 0.282 262 L C 1.026 177.904 176.870 0.013 0.000 1.051 262 L CA -0.673 54.170 54.840 0.006 0.000 0.804 262 L CB 1.244 43.303 42.059 -0.001 0.000 1.197 262 L HN 0.177 nan 8.230 nan 0.000 0.431 263 R N 1.830 122.339 120.500 0.016 0.000 2.216 263 R HA 0.304 4.645 4.340 0.002 0.000 0.332 263 R C -0.363 175.951 176.300 0.024 0.000 1.056 263 R CA -0.508 55.605 56.100 0.021 0.000 0.901 263 R CB 1.444 31.757 30.300 0.022 0.000 1.039 263 R HN 0.456 nan 8.270 nan 0.000 0.456 264 V N 3.925 123.855 119.914 0.026 0.000 2.740 264 V HA 0.329 4.450 4.120 0.002 0.000 0.303 264 V C 1.113 177.228 176.094 0.036 0.000 1.054 264 V CA 1.692 64.009 62.300 0.027 0.000 1.106 264 V CB 0.691 32.533 31.823 0.031 0.000 0.957 264 V HN 1.049 nan 8.190 nan 0.000 0.486 265 G N 4.800 113.624 108.800 0.039 0.000 4.890 265 G HA2 -0.272 3.689 3.960 0.002 0.000 0.221 265 G HA3 -0.272 3.689 3.960 0.002 0.000 0.221 265 G C 1.275 176.216 174.900 0.067 0.000 1.472 265 G CA 1.000 46.133 45.100 0.055 0.000 0.962 265 G HN 1.953 nan 8.290 nan 0.000 0.671 266 A N -0.105 122.747 122.820 0.053 0.000 1.877 266 A HA 0.137 4.458 4.320 0.002 0.000 0.216 266 A C 1.949 179.564 177.584 0.053 0.000 1.186 266 A CA 2.704 54.770 52.037 0.050 0.000 0.620 266 A CB -0.440 18.580 19.000 0.033 0.000 0.822 266 A HN 0.519 nan 8.150 nan 0.000 0.443 267 D N -1.302 119.123 120.400 0.042 0.000 2.262 267 D HA 0.222 4.863 4.640 0.002 0.000 0.212 267 D C 0.297 176.620 176.300 0.038 0.000 0.964 267 D CA 0.733 54.755 54.000 0.036 0.000 0.875 267 D CB 0.346 41.158 40.800 0.020 0.000 0.996 267 D HN 0.372 nan 8.370 nan 0.000 0.497 268 I N 0.875 121.460 120.570 0.025 0.000 2.531 268 I HA 0.116 4.287 4.170 0.002 0.000 0.283 268 I C -0.686 175.422 176.117 -0.015 0.000 1.083 268 I CA -0.366 60.932 61.300 -0.003 0.000 1.071 268 I CB 2.113 40.100 38.000 -0.022 0.000 1.210 268 I HN -0.329 nan 8.210 nan 0.000 0.450 269 S N 4.826 120.494 115.700 -0.053 0.000 2.505 269 S HA 0.455 4.927 4.470 0.002 0.000 0.276 269 S C -0.002 174.544 174.600 -0.089 0.000 1.274 269 S CA -0.465 57.697 58.200 -0.064 0.000 1.053 269 S CB 1.221 64.355 63.200 -0.109 0.000 0.919 269 S HN 0.306 nan 8.310 nan 0.000 0.490 270 V N 3.908 123.807 119.914 -0.025 0.000 2.715 270 V HA 0.610 4.731 4.120 0.002 0.000 0.310 270 V C -0.501 175.608 176.094 0.025 0.000 1.054 270 V CA -0.671 61.621 62.300 -0.013 0.000 0.928 270 V CB 2.028 33.857 31.823 0.009 0.000 1.007 270 V HN 0.626 nan 8.190 nan 0.000 0.437 271 V N 2.957 122.892 119.914 0.034 0.000 2.532 271 V HA 0.595 4.716 4.120 0.002 0.000 0.294 271 V C 0.692 176.862 176.094 0.126 0.000 1.036 271 V CA -0.044 62.298 62.300 0.072 0.000 0.876 271 V CB 1.196 33.062 31.823 0.073 0.000 1.012 271 V HN 0.992 nan 8.190 nan 0.000 0.432 272 G N 2.462 111.349 108.800 0.145 0.000 2.529 272 G HA2 0.327 4.288 3.960 0.002 0.000 0.234 272 G HA3 0.327 4.288 3.960 0.002 0.000 0.234 272 G C -1.008 174.080 174.900 0.313 0.000 1.527 272 G CA 0.162 45.389 45.100 0.212 0.000 1.062 272 G HN 0.835 nan 8.290 nan 0.000 0.558 273 Y N -0.846 119.525 120.300 0.118 0.000 2.226 273 Y HA 0.346 4.897 4.550 0.002 0.000 0.314 273 Y C -0.441 175.485 175.900 0.044 0.000 1.268 273 Y CA -0.294 57.860 58.100 0.090 0.000 1.271 273 Y CB 0.840 39.400 38.460 0.167 0.000 1.294 273 Y HN 0.623 nan 8.280 nan 0.000 0.392 274 D N 2.546 122.921 120.400 -0.042 0.000 2.663 274 D HA -0.132 4.509 4.640 0.002 0.000 0.229 274 D C -0.373 175.896 176.300 -0.052 0.000 0.497 274 D CA 1.264 55.253 54.000 -0.019 0.000 0.890 274 D CB -0.767 40.152 40.800 0.198 0.000 1.523 274 D HN 0.636 nan 8.370 nan 0.000 0.688 275 D N 1.112 121.511 120.400 -0.001 0.000 2.848 275 D HA -0.136 4.506 4.640 0.002 0.000 0.245 275 D C -0.054 176.284 176.300 0.063 0.000 1.122 275 D CA 1.417 55.410 54.000 -0.012 0.000 0.769 275 D CB -0.828 39.925 40.800 -0.079 0.000 1.025 275 D HN 0.410 nan 8.370 nan 0.000 0.423 276 T N -1.936 112.681 114.554 0.105 0.000 2.689 276 T HA 0.227 4.578 4.350 0.002 0.000 0.308 276 T C 1.458 176.174 174.700 0.027 0.000 1.021 276 T CA -0.218 61.960 62.100 0.131 0.000 0.973 276 T CB 0.795 69.746 68.868 0.137 0.000 1.113 276 T HN 0.220 nan 8.240 nan 0.000 0.522 277 E N 0.556 120.765 120.200 0.014 0.000 2.031 277 E HA -0.159 4.192 4.350 0.002 0.000 0.193 277 E C 1.750 178.275 176.600 -0.125 0.000 0.994 277 E CA 1.404 57.777 56.400 -0.045 0.000 0.800 277 E CB -0.152 29.524 29.700 -0.039 0.000 0.752 277 E HN 0.607 nan 8.360 nan 0.000 0.447 278 D N 0.432 120.734 120.400 -0.163 0.000 2.310 278 D HA -0.067 4.574 4.640 0.002 0.000 0.212 278 D C 1.757 177.629 176.300 -0.713 0.000 0.965 278 D CA 0.413 54.230 54.000 -0.305 0.000 0.879 278 D CB -0.196 40.512 40.800 -0.155 0.000 0.921 278 D HN -0.047 nan 8.370 nan 0.000 0.510 279 S N 0.358 115.617 115.700 -0.735 0.000 2.440 279 S HA -0.134 4.337 4.470 0.002 0.000 0.240 279 S C 2.075 176.460 174.600 -0.358 0.000 1.014 279 S CA 0.777 58.537 58.200 -0.733 0.000 0.980 279 S CB -0.081 62.950 63.200 -0.282 0.000 0.775 279 S HN 0.254 nan 8.310 nan 0.000 0.499 280 S N 0.083 115.639 115.700 -0.240 0.000 2.414 280 S HA -0.028 4.443 4.470 0.002 0.000 0.227 280 S C 1.736 176.289 174.600 -0.079 0.000 1.022 280 S CA 0.738 58.869 58.200 -0.114 0.000 0.958 280 S CB -0.197 62.955 63.200 -0.081 0.000 0.797 280 S HN 0.641 nan 8.310 nan 0.000 0.493 281 C N 0.545 119.780 119.300 -0.108 0.000 2.799 281 C HA 0.331 4.792 4.460 0.002 0.000 0.267 281 C C 0.285 175.334 174.990 0.099 0.000 1.257 281 C CA -1.122 57.889 59.018 -0.011 0.000 1.702 281 C CB -1.273 26.464 27.740 -0.006 0.000 1.934 281 C HN 0.413 nan 8.230 nan 0.000 0.594 282 Y N 3.567 123.886 120.300 0.030 0.000 2.721 282 Y HA 0.026 4.577 4.550 0.001 0.000 0.329 282 Y C 1.765 177.682 175.900 0.028 0.000 1.211 282 Y CA -0.871 57.249 58.100 0.033 0.000 1.512 282 Y CB -0.192 38.293 38.460 0.041 0.000 1.249 282 Y HN 0.176 nan 8.280 nan 0.000 0.549 283 I N 3.322 124.009 120.570 0.196 0.000 4.591 283 I HA -0.279 3.892 4.170 0.002 0.000 0.084 283 I C -1.496 174.683 176.117 0.103 0.000 0.669 283 I CA 0.647 62.014 61.300 0.112 0.000 0.708 283 I CB -2.796 35.250 38.000 0.075 0.000 0.599 283 I HN 0.317 nan 8.210 nan 0.000 0.247 284 P HA 0.192 nan 4.420 nan 0.000 0.264 284 P C -2.402 174.954 177.300 0.094 0.000 1.236 284 P CA -0.807 62.340 63.100 0.078 0.000 0.811 284 P CB -0.182 31.558 31.700 0.067 0.000 0.840 285 P HA -0.141 nan 4.420 nan 0.000 0.245 285 P C 0.031 177.364 177.300 0.055 0.000 1.123 285 P CA 0.139 63.269 63.100 0.050 0.000 0.853 285 P CB -0.085 31.628 31.700 0.021 0.000 0.786 286 L N 4.864 126.139 121.223 0.088 0.000 2.667 286 L HA -0.049 4.292 4.340 0.002 0.000 0.278 286 L C 0.201 177.097 176.870 0.043 0.000 1.217 286 L CA 1.213 56.110 54.840 0.095 0.000 0.935 286 L CB -0.438 41.722 42.059 0.169 0.000 1.193 286 L HN 0.248 nan 8.230 nan 0.000 0.493 287 T N 4.968 119.544 114.554 0.036 0.000 2.738 287 T HA 0.300 4.651 4.350 0.002 0.000 0.293 287 T C 0.209 174.907 174.700 -0.003 0.000 0.913 287 T CA 0.219 62.315 62.100 -0.008 0.000 1.103 287 T CB 0.025 68.886 68.868 -0.012 0.000 0.880 287 T HN 0.831 nan 8.240 nan 0.000 0.526 288 T N 3.235 117.771 114.554 -0.030 0.000 2.901 288 T HA 0.616 4.967 4.350 0.002 0.000 0.293 288 T C -0.752 173.889 174.700 -0.097 0.000 1.084 288 T CA -0.991 61.098 62.100 -0.018 0.000 1.008 288 T CB 0.736 69.609 68.868 0.007 0.000 1.170 288 T HN 0.219 nan 8.240 nan 0.000 0.509 289 I N 3.356 123.837 120.570 -0.149 0.000 2.395 289 I HA 0.407 4.578 4.170 0.002 0.000 0.289 289 I C 0.616 176.497 176.117 -0.393 0.000 1.023 289 I CA -0.512 60.600 61.300 -0.314 0.000 1.350 289 I CB 1.091 38.779 38.000 -0.521 0.000 1.409 289 I HN 0.677 nan 8.210 nan 0.000 0.507 290 K N 5.640 125.841 120.400 -0.332 0.000 2.098 290 K HA 0.372 4.693 4.320 0.002 0.000 0.261 290 K C -0.661 175.649 176.600 -0.483 0.000 0.987 290 K CA -0.513 55.571 56.287 -0.340 0.000 0.916 290 K CB 0.963 33.324 32.500 -0.232 0.000 1.039 290 K HN 0.544 nan 8.250 nan 0.000 0.455 291 Q N 2.525 121.913 119.800 -0.687 0.000 2.303 291 Q HA 0.084 4.425 4.340 0.002 0.000 0.267 291 Q C -1.577 173.707 176.000 -1.193 0.000 1.011 291 Q CA -0.671 54.447 55.803 -1.143 0.000 0.740 291 Q CB 1.839 29.536 28.738 -1.735 0.000 1.250 291 Q HN 0.525 nan 8.270 nan 0.000 0.458 292 D N 2.748 122.868 120.400 -0.466 0.000 2.422 292 D HA 0.111 4.752 4.640 0.002 0.000 0.227 292 D C 0.023 176.248 176.300 -0.125 0.000 1.190 292 D CA -0.203 53.635 54.000 -0.269 0.000 0.905 292 D CB 0.222 40.980 40.800 -0.070 0.000 1.034 292 D HN 0.367 nan 8.370 nan 0.000 0.507 293 F N 1.997 122.032 119.950 0.140 0.000 2.512 293 F HA 0.135 4.663 4.527 0.002 0.000 0.296 293 F C 2.511 178.367 175.800 0.093 0.000 1.110 293 F CA -0.130 57.970 58.000 0.166 0.000 1.446 293 F CB -0.273 38.781 39.000 0.089 0.000 1.092 293 F HN 0.281 nan 8.300 nan 0.000 0.554 294 R N 0.999 121.625 120.500 0.211 0.000 2.091 294 R HA -0.160 4.181 4.340 0.002 0.000 0.238 294 R C 2.106 178.453 176.300 0.080 0.000 1.136 294 R CA 1.531 57.702 56.100 0.119 0.000 0.959 294 R CB -0.586 29.759 30.300 0.075 0.000 0.856 294 R HN 0.417 nan 8.270 nan 0.000 0.437 295 L N 0.870 122.130 121.223 0.062 0.000 2.529 295 L HA 0.012 4.353 4.340 0.002 0.000 0.223 295 L C 1.957 178.838 176.870 0.018 0.000 1.113 295 L CA 0.254 55.110 54.840 0.027 0.000 0.861 295 L CB 0.105 42.165 42.059 0.002 0.000 1.012 295 L HN 0.158 nan 8.230 nan 0.000 0.461 296 L N -0.552 120.711 121.223 0.066 0.000 2.131 296 L HA 0.198 4.539 4.340 0.002 0.000 0.206 296 L C 2.166 179.061 176.870 0.042 0.000 1.087 296 L CA 1.963 56.817 54.840 0.023 0.000 0.767 296 L CB -0.945 41.214 42.059 0.166 0.000 0.917 296 L HN 0.112 nan 8.230 nan 0.000 0.441 297 G N -1.050 107.801 108.800 0.085 0.000 2.403 297 G HA2 -0.230 3.731 3.960 0.002 0.000 0.216 297 G HA3 -0.230 3.731 3.960 0.002 0.000 0.216 297 G C 1.435 176.351 174.900 0.027 0.000 1.154 297 G CA 0.570 45.705 45.100 0.058 0.000 0.784 297 G HN 0.440 nan 8.290 nan 0.000 0.538 298 Q N 0.659 120.473 119.800 0.023 0.000 1.985 298 Q HA -0.159 4.182 4.340 0.002 0.000 0.207 298 Q C 2.622 178.620 176.000 -0.003 0.000 0.996 298 Q CA 2.400 58.208 55.803 0.008 0.000 0.851 298 Q CB -0.954 27.787 28.738 0.005 0.000 0.921 298 Q HN 0.420 nan 8.270 nan 0.000 0.418 299 T N 0.682 115.228 114.554 -0.014 0.000 2.759 299 T HA -0.104 4.248 4.350 0.002 0.000 0.269 299 T C 2.143 176.831 174.700 -0.020 0.000 1.042 299 T CA 1.356 63.441 62.100 -0.025 0.000 1.140 299 T CB -0.223 68.617 68.868 -0.048 0.000 0.864 299 T HN 0.205 nan 8.240 nan 0.000 0.455 300 S N 0.923 116.614 115.700 -0.015 0.000 2.349 300 S HA -0.091 4.380 4.470 0.002 0.000 0.216 300 S C 2.422 177.018 174.600 -0.007 0.000 1.033 300 S CA 1.192 59.387 58.200 -0.009 0.000 1.021 300 S CB -0.636 62.565 63.200 0.002 0.000 0.968 300 S HN 0.319 nan 8.310 nan 0.000 0.426 301 V N 2.685 122.597 119.914 -0.003 0.000 2.278 301 V HA -0.270 3.851 4.120 0.002 0.000 0.251 301 V C 2.164 178.254 176.094 -0.007 0.000 1.062 301 V CA 2.081 64.378 62.300 -0.005 0.000 1.038 301 V CB -0.921 30.901 31.823 -0.002 0.000 0.646 301 V HN 0.368 nan 8.190 nan 0.000 0.447 302 D N -0.186 120.210 120.400 -0.006 0.000 2.137 302 D HA -0.206 4.435 4.640 0.002 0.000 0.193 302 D C 2.347 178.643 176.300 -0.007 0.000 0.993 302 D CA 1.801 55.797 54.000 -0.007 0.000 0.846 302 D CB -0.436 40.359 40.800 -0.008 0.000 0.990 302 D HN 0.267 nan 8.370 nan 0.000 0.448 303 R N 0.236 120.731 120.500 -0.008 0.000 2.133 303 R HA -0.206 4.135 4.340 0.002 0.000 0.247 303 R C 2.383 178.682 176.300 -0.002 0.000 1.151 303 R CA 1.049 57.146 56.100 -0.005 0.000 0.971 303 R CB -0.571 29.727 30.300 -0.005 0.000 0.866 303 R HN 0.185 nan 8.270 nan 0.000 0.447 304 L N 0.892 122.112 121.223 -0.005 0.000 2.079 304 L HA -0.179 4.162 4.340 0.002 0.000 0.210 304 L C 1.884 178.751 176.870 -0.006 0.000 1.081 304 L CA 1.613 56.449 54.840 -0.007 0.000 0.752 304 L CB -0.469 41.581 42.059 -0.014 0.000 0.896 304 L HN 0.164 nan 8.230 nan 0.000 0.433 305 L N -0.643 120.577 121.223 -0.006 0.000 2.027 305 L HA -0.176 4.165 4.340 0.002 0.000 0.206 305 L C 2.650 179.518 176.870 -0.003 0.000 1.074 305 L CA 1.707 56.543 54.840 -0.005 0.000 0.745 305 L CB -1.202 40.854 42.059 -0.005 0.000 0.898 305 L HN 0.389 nan 8.230 nan 0.000 0.433 306 Q N -0.762 119.037 119.800 -0.003 0.000 2.112 306 Q HA -0.232 4.109 4.340 0.002 0.000 0.206 306 Q C 2.291 178.292 176.000 0.001 0.000 0.987 306 Q CA 1.583 57.385 55.803 -0.001 0.000 0.858 306 Q CB -0.370 28.367 28.738 -0.001 0.000 0.905 306 Q HN 0.418 nan 8.270 nan 0.000 0.420 307 L N 0.496 121.721 121.223 0.003 0.000 2.017 307 L HA -0.239 4.102 4.340 0.002 0.000 0.208 307 L C 2.744 179.616 176.870 0.004 0.000 1.073 307 L CA 1.614 56.458 54.840 0.007 0.000 0.745 307 L CB -0.730 41.335 42.059 0.011 0.000 0.894 307 L HN 0.275 nan 8.230 nan 0.000 0.432 308 S N -0.759 114.941 115.700 0.001 0.000 2.338 308 S HA -0.271 4.200 4.470 0.002 0.000 0.218 308 S C 1.529 176.128 174.600 -0.001 0.000 1.032 308 S CA 0.556 58.755 58.200 -0.001 0.000 0.999 308 S CB -0.562 62.635 63.200 -0.005 0.000 0.905 308 S HN 0.454 nan 8.310 nan 0.000 0.439 309 Q N 2.116 121.915 119.800 -0.001 0.000 3.107 309 Q HA 0.381 4.722 4.340 0.002 0.000 0.268 309 Q C 0.964 176.964 176.000 -0.000 0.000 1.382 309 Q CA 0.308 56.110 55.803 -0.001 0.000 0.927 309 Q CB -1.076 27.661 28.738 -0.002 0.000 1.755 309 Q HN 0.771 nan 8.270 nan 0.000 0.545 310 G N 1.427 110.228 108.800 0.001 0.000 3.675 310 G HA2 -0.356 3.605 3.960 0.002 0.000 0.275 310 G HA3 -0.356 3.605 3.960 0.002 0.000 0.275 310 G C 0.228 175.130 174.900 0.002 0.000 1.648 310 G CA 0.173 45.274 45.100 0.001 0.000 1.093 310 G HN 0.520 nan 8.290 nan 0.000 0.617 311 Q N 0.630 120.431 119.800 0.002 0.000 2.763 311 Q HA 0.739 5.080 4.340 0.002 0.000 0.248 311 Q C 1.104 177.107 176.000 0.004 0.000 1.149 311 Q CA 1.548 57.353 55.803 0.003 0.000 0.781 311 Q CB -0.019 28.720 28.738 0.002 0.000 4.267 311 Q HN 2.010 nan 8.270 nan 0.000 0.430 312 A N -2.711 120.112 122.820 0.004 0.000 5.729 312 A HA 0.502 4.823 4.320 0.002 0.000 0.182 312 A C -0.727 176.859 177.584 0.004 0.000 0.904 312 A CA 0.073 52.114 52.037 0.006 0.000 0.822 312 A CB -0.353 18.652 19.000 0.010 0.000 2.141 312 A HN 0.385 nan 8.150 nan 0.000 1.054 313 V N -1.424 118.494 119.914 0.006 0.000 3.184 313 V HA 0.324 4.445 4.120 0.002 0.000 0.214 313 V C -0.874 175.224 176.094 0.006 0.000 1.570 313 V CA 0.589 62.891 62.300 0.004 0.000 1.160 313 V CB 0.001 31.825 31.823 0.001 0.000 1.098 313 V HN 1.055 nan 8.190 nan 0.000 0.483 314 K N 0.270 120.676 120.400 0.011 0.000 6.403 314 K HA -0.022 4.299 4.320 0.002 0.000 0.612 314 K C 0.570 177.178 176.600 0.012 0.000 2.544 314 K CA 0.983 57.278 56.287 0.013 0.000 1.989 314 K CB -1.473 31.032 32.500 0.009 0.000 2.658 314 K HN 1.379 nan 8.250 nan 0.000 0.189 315 G N 2.285 111.094 108.800 0.015 0.000 2.578 315 G HA2 -0.406 3.555 3.960 0.002 0.000 0.284 315 G HA3 -0.406 3.555 3.960 0.002 0.000 0.284 315 G C -0.016 174.893 174.900 0.014 0.000 1.283 315 G CA 0.713 45.819 45.100 0.010 0.000 0.944 315 G HN 1.030 nan 8.290 nan 0.000 0.558 316 N N 0.752 119.458 118.700 0.010 0.000 2.412 316 N HA 0.317 5.058 4.740 0.002 0.000 0.258 316 N C -0.056 175.460 175.510 0.010 0.000 1.236 316 N CA 1.315 54.374 53.050 0.016 0.000 0.882 316 N CB 0.491 38.991 38.487 0.022 0.000 1.066 316 N HN 0.811 nan 8.380 nan 0.000 0.465 317 Q N 3.835 123.637 119.800 0.004 0.000 2.275 317 Q HA 0.317 4.658 4.340 0.002 0.000 0.258 317 Q C -1.718 174.264 176.000 -0.031 0.000 0.960 317 Q CA -0.816 54.979 55.803 -0.013 0.000 0.801 317 Q CB 0.675 29.402 28.738 -0.018 0.000 1.302 317 Q HN 0.442 nan 8.270 nan 0.000 0.433 318 L N 3.862 125.065 121.223 -0.033 0.000 2.344 318 L HA 0.604 4.945 4.340 0.002 0.000 0.272 318 L C -0.168 176.651 176.870 -0.086 0.000 1.035 318 L CA -0.588 54.221 54.840 -0.052 0.000 0.807 318 L CB 1.221 43.265 42.059 -0.025 0.000 1.237 318 L HN 0.724 nan 8.230 nan 0.000 0.442 319 L N 2.914 124.058 121.223 -0.132 0.000 2.303 319 L HA 0.614 4.955 4.340 0.002 0.000 0.266 319 L C -2.161 174.674 176.870 -0.058 0.000 1.011 319 L CA -1.630 53.129 54.840 -0.135 0.000 0.818 319 L CB 2.644 44.543 42.059 -0.267 0.000 1.326 319 L HN 0.430 nan 8.230 nan 0.000 0.435 320 P HA 0.334 nan 4.420 nan 0.000 0.279 320 P C -1.092 176.226 177.300 0.031 0.000 1.276 320 P CA -0.256 62.838 63.100 -0.009 0.000 0.801 320 P CB 1.861 33.543 31.700 -0.029 0.000 1.127 321 V N -3.459 116.444 119.914 -0.018 0.000 3.087 321 V HA 0.950 5.072 4.120 0.002 0.000 0.311 321 V C -0.563 175.467 176.094 -0.106 0.000 1.333 321 V CA -0.843 61.410 62.300 -0.079 0.000 1.054 321 V CB 1.071 32.815 31.823 -0.133 0.000 1.123 321 V HN 0.939 nan 8.190 nan 0.000 0.473 322 S N -0.341 115.268 115.700 -0.151 0.000 2.633 322 S HA 0.557 5.028 4.470 0.002 0.000 0.271 322 S C -1.548 172.962 174.600 -0.149 0.000 1.112 322 S CA -0.543 57.581 58.200 -0.126 0.000 0.828 322 S CB 1.214 64.353 63.200 -0.101 0.000 1.086 322 S HN 1.833 nan 8.310 nan 0.000 0.461 323 L N 2.135 123.281 121.223 -0.129 0.000 2.268 323 L HA 0.607 4.949 4.340 0.002 0.000 0.289 323 L C -0.741 176.042 176.870 -0.145 0.000 1.064 323 L CA -0.296 54.451 54.840 -0.156 0.000 0.824 323 L CB 0.806 42.756 42.059 -0.182 0.000 1.202 323 L HN 0.633 nan 8.230 nan 0.000 0.433 324 V N 5.771 125.602 119.914 -0.137 0.000 2.223 324 V HA 0.128 4.249 4.120 0.002 0.000 0.249 324 V C 0.742 176.772 176.094 -0.106 0.000 1.233 324 V CA -0.518 61.719 62.300 -0.106 0.000 1.131 324 V CB -0.346 31.422 31.823 -0.092 0.000 1.298 324 V HN 0.667 nan 8.190 nan 0.000 0.498 325 K N 4.798 125.129 120.400 -0.116 0.000 2.419 325 K HA 0.176 4.497 4.320 0.002 0.000 0.282 325 K C 0.658 177.234 176.600 -0.040 0.000 1.056 325 K CA 0.271 56.494 56.287 -0.106 0.000 1.035 325 K CB 0.382 32.834 32.500 -0.080 0.000 0.921 325 K HN 0.609 nan 8.250 nan 0.000 0.472 326 R N 2.522 123.011 120.500 -0.020 0.000 2.400 326 R HA 0.275 4.616 4.340 0.002 0.000 0.112 326 R C 0.550 176.868 176.300 0.030 0.000 1.488 326 R CA -0.624 55.479 56.100 0.004 0.000 1.275 326 R CB 0.160 30.461 30.300 0.002 0.000 1.084 326 R HN 0.298 nan 8.270 nan 0.000 0.426 327 K N 1.177 121.601 120.400 0.039 0.000 2.438 327 K HA 0.135 4.456 4.320 0.002 0.000 0.206 327 K C 0.474 177.111 176.600 0.062 0.000 1.081 327 K CA 0.338 56.655 56.287 0.050 0.000 1.053 327 K CB 1.539 34.065 32.500 0.044 0.000 0.908 327 K HN 0.497 nan 8.250 nan 0.000 0.556 328 T N -0.313 114.281 114.554 0.067 0.000 3.273 328 T HA 0.089 4.440 4.350 0.002 0.000 0.254 328 T C 0.328 175.075 174.700 0.077 0.000 1.002 328 T CA -0.373 61.767 62.100 0.067 0.000 0.913 328 T CB -0.455 68.453 68.868 0.065 0.000 1.056 328 T HN 0.044 nan 8.240 nan 0.000 0.576 329 T N -0.146 114.473 114.554 0.108 0.000 3.143 329 T HA 0.737 5.088 4.350 0.002 0.000 0.312 329 T C -0.915 173.881 174.700 0.160 0.000 0.986 329 T CA -0.808 61.384 62.100 0.155 0.000 1.024 329 T CB 1.586 70.609 68.868 0.258 0.000 1.030 329 T HN 0.097 nan 8.240 nan 0.000 0.448 330 L N 1.636 122.967 121.223 0.181 0.000 2.251 330 L HA 0.925 5.266 4.340 0.002 0.000 0.244 330 L C 0.322 177.225 176.870 0.054 0.000 1.095 330 L CA -1.020 53.887 54.840 0.112 0.000 0.910 330 L CB 1.375 43.478 42.059 0.074 0.000 1.516 330 L HN 0.973 nan 8.230 nan 0.000 0.429 331 A N 1.747 124.538 122.820 -0.049 0.000 2.511 331 A HA 0.350 4.671 4.320 0.002 0.000 0.242 331 A C -1.757 175.695 177.584 -0.221 0.000 1.069 331 A CA -0.500 51.438 52.037 -0.164 0.000 0.763 331 A CB -0.724 18.218 19.000 -0.097 0.000 1.001 331 A HN 0.616 nan 8.150 nan 0.000 0.498 332 P HA -0.290 nan 4.420 nan 0.000 0.203 332 P C 0.416 177.672 177.300 -0.073 0.000 1.087 332 P CA 1.576 64.486 63.100 -0.317 0.000 0.952 332 P CB -0.411 31.108 31.700 -0.301 0.000 0.758 333 N N 0.150 118.809 118.700 -0.069 0.000 2.777 333 N HA -0.141 4.600 4.740 0.002 0.000 0.301 333 N C -0.570 174.940 175.510 -0.001 0.000 1.107 333 N CA 0.900 53.932 53.050 -0.029 0.000 0.790 333 N CB -1.332 37.137 38.487 -0.030 0.000 0.980 333 N HN 0.161 nan 8.380 nan 0.000 0.584 334 T N 2.059 116.618 114.554 0.008 0.000 3.667 334 T HA 0.020 4.371 4.350 0.002 0.000 0.240 334 T C -0.085 174.620 174.700 0.008 0.000 0.919 334 T CA -0.139 61.972 62.100 0.018 0.000 0.928 334 T CB -0.328 68.550 68.868 0.018 0.000 1.151 334 T HN 0.581 nan 8.240 nan 0.000 0.644 335 Q N 1.346 121.149 119.800 0.005 0.000 3.192 335 Q HA -0.126 4.215 4.340 0.002 0.000 0.031 335 Q C -0.130 175.870 176.000 -0.001 0.000 1.686 335 Q CA 0.982 56.786 55.803 0.002 0.000 0.259 335 Q CB -0.784 27.957 28.738 0.005 0.000 0.583 335 Q HN 0.847 nan 8.270 nan 0.000 0.322 336 T N -0.614 113.938 114.554 -0.003 0.000 2.893 336 T HA 0.953 5.304 4.350 0.002 0.000 0.291 336 T C 0.006 174.704 174.700 -0.004 0.000 1.028 336 T CA 0.158 62.255 62.100 -0.005 0.000 0.995 336 T CB 2.232 71.095 68.868 -0.008 0.000 1.051 336 T HN 1.873 nan 8.240 nan 0.000 0.470 337 A N 0.601 123.419 122.820 -0.003 0.000 3.457 337 A HA 0.426 4.747 4.320 0.002 0.000 0.638 337 A C 0.273 177.856 177.584 -0.001 0.000 0.693 337 A CA 0.232 52.268 52.037 -0.003 0.000 0.259 337 A CB -2.067 16.931 19.000 -0.003 0.000 3.678 337 A HN 2.895 nan 8.150 nan 0.000 0.526 338 S N -0.656 115.043 115.700 -0.001 0.000 2.668 338 S HA 0.307 4.778 4.470 0.002 0.000 0.789 338 S C -1.361 173.239 174.600 -0.001 0.000 0.773 338 S CA 0.840 59.040 58.200 -0.001 0.000 1.581 338 S CB -0.860 62.340 63.200 -0.000 0.000 1.142 338 S HN 1.948 nan 8.310 nan 0.000 0.230 339 P HA 0.313 nan 4.420 nan 0.000 0.258 339 P C 0.722 178.022 177.300 -0.000 0.000 1.251 339 P CA 0.463 63.562 63.100 -0.001 0.000 0.694 339 P CB -0.054 31.646 31.700 -0.001 0.000 1.439 340 R N -0.661 119.838 120.500 -0.000 0.000 2.480 340 R HA 0.547 4.889 4.340 0.002 0.000 0.277 340 R C 1.614 177.915 176.300 0.000 0.000 1.008 340 R CA 0.288 56.388 56.100 -0.000 0.000 1.090 340 R CB -0.641 29.659 30.300 -0.000 0.000 1.234 340 R HN 0.113 nan 8.270 nan 0.000 0.549 341 A N 2.077 124.897 122.820 0.000 0.000 1.877 341 A HA -0.136 4.185 4.320 0.002 0.000 0.216 341 A C 2.036 179.620 177.584 0.001 0.000 1.186 341 A CA 1.266 53.303 52.037 0.001 0.000 0.620 341 A CB -0.264 18.736 19.000 0.001 0.000 0.822 341 A HN 0.416 nan 8.150 nan 0.000 0.443 342 L N -1.978 119.245 121.223 0.001 0.000 2.376 342 L HA 0.305 4.646 4.340 0.002 0.000 0.219 342 L C 2.227 179.098 176.870 0.001 0.000 1.133 342 L CA 1.381 56.221 54.840 0.001 0.000 0.816 342 L CB -1.444 40.615 42.059 0.001 0.000 0.933 342 L HN 0.187 nan 8.230 nan 0.000 0.449 343 A N -0.068 122.752 122.820 0.001 0.000 1.872 343 A HA -0.142 4.179 4.320 0.002 0.000 0.214 343 A C 2.066 179.651 177.584 0.001 0.000 1.187 343 A CA 1.446 53.483 52.037 0.001 0.000 0.614 343 A CB -0.743 18.258 19.000 0.000 0.000 0.826 343 A HN 0.405 nan 8.150 nan 0.000 0.442 344 D N -0.092 120.308 120.400 0.001 0.000 2.218 344 D HA -0.073 4.568 4.640 0.002 0.000 0.204 344 D C 2.205 178.506 176.300 0.002 0.000 0.976 344 D CA 1.357 55.358 54.000 0.001 0.000 0.853 344 D CB 0.011 40.812 40.800 0.001 0.000 0.939 344 D HN 0.394 nan 8.370 nan 0.000 0.481 345 S N 0.196 115.897 115.700 0.002 0.000 2.335 345 S HA -0.063 4.408 4.470 0.002 0.000 0.216 345 S C 2.238 176.840 174.600 0.003 0.000 1.032 345 S CA 0.360 58.562 58.200 0.002 0.000 1.000 345 S CB -0.348 62.854 63.200 0.003 0.000 0.928 345 S HN 0.244 nan 8.310 nan 0.000 0.434 346 L N 1.352 122.577 121.223 0.002 0.000 1.997 346 L HA -0.234 4.107 4.340 0.002 0.000 0.216 346 L C 2.714 179.586 176.870 0.002 0.000 1.074 346 L CA 1.211 56.052 54.840 0.002 0.000 0.763 346 L CB -0.562 41.498 42.059 0.002 0.000 0.890 346 L HN 0.324 nan 8.230 nan 0.000 0.434 347 M N -0.844 118.757 119.600 0.002 0.000 2.146 347 M HA -0.372 4.109 4.480 0.002 0.000 0.251 347 M C 2.244 178.545 176.300 0.002 0.000 1.083 347 M CA 2.098 57.400 55.300 0.002 0.000 1.076 347 M CB -0.950 31.651 32.600 0.002 0.000 1.332 347 M HN 0.329 nan 8.290 nan 0.000 0.400 348 Q N -0.603 119.199 119.800 0.002 0.000 2.083 348 Q HA -0.053 4.288 4.340 0.002 0.000 0.198 348 Q C 1.985 177.986 176.000 0.003 0.000 0.969 348 Q CA 1.030 56.834 55.803 0.003 0.000 0.838 348 Q CB -0.102 28.637 28.738 0.003 0.000 0.900 348 Q HN 0.413 nan 8.270 nan 0.000 0.436 349 L N 0.077 121.302 121.223 0.003 0.000 2.079 349 L HA -0.230 4.111 4.340 0.002 0.000 0.210 349 L C 2.244 179.116 176.870 0.003 0.000 1.081 349 L CA 1.678 56.520 54.840 0.003 0.000 0.752 349 L CB -0.942 41.120 42.059 0.004 0.000 0.896 349 L HN 0.195 nan 8.230 nan 0.000 0.433 350 A N -0.310 122.511 122.820 0.003 0.000 1.873 350 A HA -0.290 4.031 4.320 0.002 0.000 0.218 350 A C 2.445 180.030 177.584 0.002 0.000 1.193 350 A CA 2.078 54.116 52.037 0.002 0.000 0.629 350 A CB -0.557 18.444 19.000 0.002 0.000 0.826 350 A HN 0.265 nan 8.150 nan 0.000 0.447 351 R N -0.692 119.809 120.500 0.002 0.000 2.094 351 R HA -0.152 4.189 4.340 0.002 0.000 0.239 351 R C 2.530 178.831 176.300 0.002 0.000 1.137 351 R CA 1.925 58.027 56.100 0.002 0.000 0.943 351 R CB -0.464 29.838 30.300 0.002 0.000 0.850 351 R HN 0.593 nan 8.270 nan 0.000 0.433 352 Q N -0.246 119.556 119.800 0.003 0.000 2.061 352 Q HA -0.135 4.207 4.340 0.002 0.000 0.204 352 Q C 2.197 178.199 176.000 0.003 0.000 0.984 352 Q CA 1.817 57.622 55.803 0.003 0.000 0.846 352 Q CB -0.552 28.188 28.738 0.003 0.000 0.902 352 Q HN 0.255 nan 8.270 nan 0.000 0.421 353 V N 0.381 120.297 119.914 0.003 0.000 2.295 353 V HA -0.175 3.946 4.120 0.002 0.000 0.246 353 V C 2.104 178.200 176.094 0.003 0.000 1.049 353 V CA 1.890 64.192 62.300 0.003 0.000 1.024 353 V CB -0.635 31.190 31.823 0.003 0.000 0.648 353 V HN 0.222 nan 8.190 nan 0.000 0.447 354 S N -0.764 114.938 115.700 0.002 0.000 2.607 354 S HA -0.054 4.417 4.470 0.002 0.000 0.224 354 S C 1.904 176.505 174.600 0.002 0.000 0.969 354 S CA 0.584 58.785 58.200 0.002 0.000 0.927 354 S CB -0.347 62.855 63.200 0.002 0.000 0.772 354 S HN 0.528 nan 8.310 nan 0.000 0.533 355 R N 0.469 120.971 120.500 0.002 0.000 2.240 355 R HA 0.165 4.506 4.340 0.002 0.000 0.203 355 R C 1.101 177.402 176.300 0.002 0.000 1.011 355 R CA 0.887 56.988 56.100 0.002 0.000 1.007 355 R CB -0.060 30.242 30.300 0.003 0.000 0.911 355 R HN 0.212 nan 8.270 nan 0.000 0.468 356 L N -0.101 121.123 121.223 0.003 0.000 2.362 356 L HA 0.251 4.592 4.340 0.002 0.000 0.204 356 L C 0.491 177.362 176.870 0.002 0.000 1.060 356 L CA 0.800 55.642 54.840 0.003 0.000 0.827 356 L CB -0.416 41.645 42.059 0.003 0.000 1.027 356 L HN 0.263 nan 8.230 nan 0.000 0.474 357 E N 0.000 120.201 120.200 0.002 0.000 2.725 357 E HA 0.000 4.351 4.350 0.002 0.000 0.291 357 E CA 0.000 56.401 56.400 0.002 0.000 0.976 357 E CB 0.000 29.701 29.700 0.002 0.000 0.812 357 E HN 0.000 nan 8.360 nan 0.000 0.440