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 1uc4_1_B DATA FIRST_RESID 46 DATA SEQUENCE GFLTEVGEAR QGTQQDEVII AVGPAFGLAQ TVNIVGIPHK SILREVIAGI DATA SEQUENCE EEEGIKARVI RCFKSSDVAF VAVEGNRLSG SGISIGIQSK GTTVIHQQGL DATA SEQUENCE PPLSNLELFP QAPLLTLETY RQIGKNAARY AKRESPQPVP TLNDQMARPK DATA SEQUENCE YQAKSAILHI KETKYVVTGK NPQELRVA 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 46 G HA2 0.000 nan 3.960 nan 0.000 0.244 46 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 46 G C 0.000 174.995 174.900 0.158 0.000 0.946 46 G CA 0.000 45.176 45.100 0.126 0.000 0.502 47 F N 0.690 120.651 119.950 0.018 0.000 2.773 47 F HA 0.628 5.155 4.527 0.000 0.000 0.304 47 F C -0.159 175.663 175.800 0.036 0.000 1.129 47 F CA -1.292 56.723 58.000 0.024 0.000 1.378 47 F CB 0.026 39.041 39.000 0.025 0.000 1.095 47 F HN 0.114 nan 8.300 nan 0.000 0.565 48 L N 1.096 122.050 121.223 -0.448 0.000 2.381 48 L HA 0.541 4.881 4.340 0.000 0.000 0.274 48 L C -0.645 176.118 176.870 -0.179 0.000 0.988 48 L CA -0.585 54.004 54.840 -0.418 0.000 0.824 48 L CB 2.264 43.974 42.059 -0.582 0.000 1.263 48 L HN -0.089 nan 8.230 nan 0.000 0.410 49 T N 1.185 115.670 114.554 -0.115 0.000 2.812 49 T HA 0.285 4.635 4.350 0.000 0.000 0.282 49 T C -0.476 174.199 174.700 -0.040 0.000 0.990 49 T CA -0.634 61.432 62.100 -0.057 0.000 0.960 49 T CB 1.686 70.535 68.868 -0.032 0.000 0.948 49 T HN 0.436 nan 8.240 nan 0.000 0.438 50 E N 1.767 121.957 120.200 -0.016 0.000 2.257 50 E HA 0.237 4.587 4.350 0.000 0.000 0.278 50 E C 0.909 177.510 176.600 0.002 0.000 1.049 50 E CA -0.317 56.088 56.400 0.008 0.000 0.876 50 E CB 0.732 30.458 29.700 0.043 0.000 1.035 50 E HN 0.517 nan 8.360 nan 0.000 0.419 51 V N 0.846 120.761 119.914 0.001 0.000 3.271 51 V HA 0.542 4.662 4.120 0.000 0.000 0.327 51 V C 0.520 176.614 176.094 0.000 0.000 1.389 51 V CA 0.248 62.547 62.300 -0.002 0.000 1.156 51 V CB -0.407 31.412 31.823 -0.005 0.000 1.103 51 V HN 0.735 nan 8.190 nan 0.000 0.453 52 G N 0.103 108.906 108.800 0.005 0.000 2.440 52 G HA2 -0.052 3.908 3.960 0.000 0.000 0.684 52 G HA3 -0.052 3.908 3.960 0.000 0.000 0.684 52 G C -0.680 174.226 174.900 0.010 0.000 1.309 52 G CA -0.352 44.749 45.100 0.002 0.000 0.931 52 G HN 0.571 nan 8.290 nan 0.000 0.612 53 E N 0.143 120.345 120.200 0.004 0.000 2.558 53 E HA 0.410 4.760 4.350 0.000 0.000 0.255 53 E C 0.990 177.598 176.600 0.014 0.000 0.968 53 E CA 0.311 56.718 56.400 0.011 0.000 0.939 53 E CB 0.435 30.134 29.700 -0.001 0.000 0.921 53 E HN 1.217 nan 8.360 nan 0.000 0.477 54 A N 5.506 128.340 122.820 0.024 0.000 2.440 54 A HA 0.219 4.539 4.320 0.000 0.000 0.251 54 A C -0.043 177.547 177.584 0.010 0.000 1.089 54 A CA -0.061 51.985 52.037 0.014 0.000 0.779 54 A CB 0.458 19.467 19.000 0.015 0.000 1.022 54 A HN 0.696 nan 8.150 nan 0.000 0.492 55 R N 0.910 121.413 120.500 0.005 0.000 2.674 55 R HA 0.365 4.705 4.340 0.000 0.000 0.266 55 R C 0.052 176.354 176.300 0.002 0.000 1.016 55 R CA -0.684 55.418 56.100 0.003 0.000 1.062 55 R CB 0.929 31.230 30.300 0.002 0.000 1.142 55 R HN 0.894 nan 8.270 nan 0.000 0.517 56 Q N 0.587 120.389 119.800 0.002 0.000 2.332 56 Q HA 0.167 4.507 4.340 0.000 0.000 0.263 56 Q C -0.088 175.913 176.000 0.001 0.000 0.979 56 Q CA -0.261 55.543 55.803 0.001 0.000 0.885 56 Q CB 1.071 29.810 28.738 0.002 0.000 1.218 56 Q HN 0.799 nan 8.270 nan 0.000 0.405 57 G N 1.443 110.244 108.800 0.001 0.000 2.554 57 G HA2 0.107 4.067 3.960 0.000 0.000 0.238 57 G HA3 0.107 4.067 3.960 0.000 0.000 0.238 57 G C 0.596 175.498 174.900 0.003 0.000 1.259 57 G CA 0.241 45.342 45.100 0.002 0.000 0.843 57 G HN 0.833 nan 8.290 nan 0.000 0.582 58 T N -2.265 112.292 114.554 0.004 0.000 2.985 58 T HA 0.296 4.646 4.350 0.000 0.000 0.254 58 T C 0.607 175.311 174.700 0.005 0.000 1.021 58 T CA 0.045 62.147 62.100 0.004 0.000 0.957 58 T CB 0.460 69.330 68.868 0.003 0.000 1.047 58 T HN 0.394 nan 8.240 nan 0.000 0.511 59 Q N 1.449 121.253 119.800 0.006 0.000 2.484 59 Q HA 0.336 4.676 4.340 0.000 0.000 0.285 59 Q C -0.626 175.380 176.000 0.010 0.000 1.097 59 Q CA -0.647 55.161 55.803 0.008 0.000 0.802 59 Q CB 1.839 30.581 28.738 0.007 0.000 1.444 59 Q HN 0.325 nan 8.270 nan 0.000 0.429 60 Q N 0.884 120.691 119.800 0.012 0.000 2.642 60 Q HA 0.053 4.393 4.340 0.000 0.000 0.319 60 Q C -0.565 175.445 176.000 0.016 0.000 1.030 60 Q CA 0.161 55.974 55.803 0.016 0.000 0.943 60 Q CB -0.561 28.187 28.738 0.017 0.000 1.323 60 Q HN 0.542 nan 8.270 nan 0.000 0.419 61 D N -0.928 119.480 120.400 0.014 0.000 2.479 61 D HA 0.084 4.724 4.640 0.000 0.000 0.218 61 D C -0.078 176.230 176.300 0.013 0.000 1.177 61 D CA -0.207 53.801 54.000 0.013 0.000 0.830 61 D CB 0.338 41.143 40.800 0.009 0.000 1.014 61 D HN 0.587 nan 8.370 nan 0.000 0.503 62 E N -1.258 118.951 120.200 0.015 0.000 2.456 62 E HA 0.674 5.024 4.350 0.000 0.000 0.276 62 E C -1.393 175.219 176.600 0.020 0.000 0.981 62 E CA -1.274 55.135 56.400 0.014 0.000 0.814 62 E CB 2.100 31.805 29.700 0.008 0.000 1.382 62 E HN -0.158 nan 8.360 nan 0.000 0.459 63 V N 1.473 121.397 119.914 0.018 0.000 2.668 63 V HA 0.345 4.465 4.120 0.000 0.000 0.304 63 V C -0.632 175.466 176.094 0.007 0.000 1.071 63 V CA -0.615 61.698 62.300 0.023 0.000 0.894 63 V CB 1.607 33.452 31.823 0.037 0.000 1.008 63 V HN 0.634 nan 8.190 nan 0.000 0.425 64 I N 5.349 125.919 120.570 0.000 0.000 2.365 64 I HA 0.429 4.599 4.170 0.000 0.000 0.291 64 I C -0.396 175.702 176.117 -0.032 0.000 1.004 64 I CA -0.326 60.962 61.300 -0.019 0.000 1.311 64 I CB 1.430 39.416 38.000 -0.023 0.000 1.401 64 I HN 0.444 nan 8.210 nan 0.000 0.491 65 I N 6.246 126.780 120.570 -0.060 0.000 2.307 65 I HA 0.379 4.549 4.170 0.000 0.000 0.289 65 I C 0.216 176.246 176.117 -0.143 0.000 1.021 65 I CA -0.288 60.955 61.300 -0.096 0.000 1.224 65 I CB 1.268 39.198 38.000 -0.117 0.000 1.376 65 I HN 0.566 nan 8.210 nan 0.000 0.470 66 A N 7.284 130.021 122.820 -0.138 0.000 2.271 66 A HA 0.720 5.040 4.320 0.000 0.000 0.317 66 A C -0.264 177.181 177.584 -0.232 0.000 1.245 66 A CA -0.513 51.428 52.037 -0.160 0.000 0.857 66 A CB 0.935 19.876 19.000 -0.098 0.000 1.175 66 A HN 0.579 nan 8.150 nan 0.000 0.512 67 V N 0.968 120.684 119.914 -0.331 0.000 2.881 67 V HA 0.943 5.063 4.120 0.000 0.000 0.316 67 V C 0.677 176.619 176.094 -0.254 0.000 1.070 67 V CA -0.203 61.841 62.300 -0.427 0.000 0.976 67 V CB 1.066 32.328 31.823 -0.934 0.000 1.038 67 V HN 1.199 nan 8.190 nan 0.000 0.446 68 G N 1.654 110.380 108.800 -0.124 0.000 2.699 68 G HA2 0.375 4.335 3.960 0.000 0.000 0.246 68 G HA3 0.375 4.335 3.960 0.000 0.000 0.246 68 G C -1.072 173.746 174.900 -0.135 0.000 1.219 68 G CA -0.453 44.608 45.100 -0.065 0.000 0.866 68 G HN 0.782 nan 8.290 nan 0.000 0.572 69 P HA -0.036 nan 4.420 nan 0.000 0.228 69 P C 0.929 178.152 177.300 -0.128 0.000 1.151 69 P CA 1.479 64.435 63.100 -0.239 0.000 0.770 69 P CB 0.398 32.053 31.700 -0.074 0.000 0.786 70 A N -1.529 121.266 122.820 -0.042 0.000 2.469 70 A HA 0.218 4.538 4.320 0.000 0.000 0.245 70 A C 0.471 178.073 177.584 0.030 0.000 1.221 70 A CA -0.499 51.476 52.037 -0.103 0.000 0.946 70 A CB -0.730 18.285 19.000 0.026 0.000 1.049 70 A HN 0.080 nan 8.150 nan 0.000 0.529 71 F N 1.686 121.579 119.950 -0.096 0.000 2.602 71 F HA 0.380 4.907 4.527 0.000 0.000 0.385 71 F C 1.459 177.272 175.800 0.022 0.000 1.063 71 F CA 1.285 59.218 58.000 -0.112 0.000 1.233 71 F CB 0.301 39.137 39.000 -0.274 0.000 1.067 71 F HN 0.418 nan 8.300 nan 0.000 0.564 72 G N 4.756 113.656 108.800 0.167 0.000 2.189 72 G HA2 -0.303 3.657 3.960 0.000 0.000 0.267 72 G HA3 -0.303 3.657 3.960 0.000 0.000 0.267 72 G C 0.415 175.394 174.900 0.132 0.000 0.975 72 G CA 0.703 45.974 45.100 0.284 0.000 0.644 72 G HN 0.674 nan 8.290 nan 0.000 0.537 73 L N -1.381 119.867 121.223 0.041 0.000 3.073 73 L HA 0.635 4.975 4.340 0.000 0.000 0.194 73 L C 2.844 179.677 176.870 -0.063 0.000 1.355 73 L CA 0.379 55.194 54.840 -0.043 0.000 2.306 73 L CB -0.948 41.028 42.059 -0.137 0.000 2.239 73 L HN 0.088 nan 8.230 nan 0.000 0.978 74 A N -0.558 122.177 122.820 -0.142 0.000 2.024 74 A HA -0.095 4.225 4.320 0.000 0.000 0.220 74 A C 0.841 178.424 177.584 -0.003 0.000 1.164 74 A CA 1.249 53.251 52.037 -0.058 0.000 0.643 74 A CB -0.416 18.563 19.000 -0.035 0.000 0.806 74 A HN 0.567 nan 8.150 nan 0.000 0.451 75 Q N -1.577 118.221 119.800 -0.002 0.000 2.353 75 Q HA 0.463 4.803 4.340 0.000 0.000 0.268 75 Q C 0.029 175.924 176.000 -0.176 0.000 1.045 75 Q CA 0.221 56.004 55.803 -0.033 0.000 0.811 75 Q CB 1.782 30.564 28.738 0.073 0.000 1.305 75 Q HN 0.362 nan 8.270 nan 0.000 0.447 76 T N -2.972 111.320 114.554 -0.436 0.000 3.058 76 T HA 0.320 4.670 4.350 0.000 0.000 0.278 76 T C 0.173 174.233 174.700 -1.067 0.000 0.974 76 T CA -0.023 61.677 62.100 -0.666 0.000 0.893 76 T CB 0.205 68.913 68.868 -0.267 0.000 1.138 76 T HN 0.395 nan 8.240 nan 0.000 0.529 77 V N 0.298 119.640 119.914 -0.953 0.000 3.007 77 V HA 0.789 4.909 4.120 0.000 0.000 0.311 77 V C -0.725 175.175 176.094 -0.323 0.000 1.120 77 V CA -1.473 60.486 62.300 -0.569 0.000 0.980 77 V CB 1.711 33.373 31.823 -0.268 0.000 1.033 77 V HN 0.398 nan 8.190 nan 0.000 0.429 78 N N 2.009 120.666 118.700 -0.072 0.000 2.327 78 N HA 0.221 4.961 4.740 0.000 0.000 0.257 78 N C 1.004 176.527 175.510 0.022 0.000 1.281 78 N CA -0.027 53.069 53.050 0.077 0.000 0.942 78 N CB 0.583 39.157 38.487 0.145 0.000 1.199 78 N HN 0.909 nan 8.380 nan 0.000 0.532 79 I N -0.833 119.756 120.570 0.031 0.000 2.479 79 I HA -0.246 3.924 4.170 0.000 0.000 0.258 79 I C 0.854 176.932 176.117 -0.065 0.000 1.165 79 I CA 1.380 62.672 61.300 -0.013 0.000 1.422 79 I CB 0.077 38.045 38.000 -0.053 0.000 1.087 79 I HN 0.491 nan 8.210 nan 0.000 0.441 80 V N -2.339 117.527 119.914 -0.080 0.000 3.214 80 V HA 0.600 4.720 4.120 0.000 0.000 0.330 80 V C 1.141 177.224 176.094 -0.018 0.000 1.403 80 V CA 0.196 62.454 62.300 -0.070 0.000 1.143 80 V CB -0.383 31.364 31.823 -0.127 0.000 1.098 80 V HN 0.460 nan 8.190 nan 0.000 0.463 81 G N 1.076 109.861 108.800 -0.024 0.000 2.213 81 G HA2 -0.228 3.732 3.960 0.000 0.000 0.236 81 G HA3 -0.228 3.732 3.960 0.000 0.000 0.236 81 G C 0.065 174.933 174.900 -0.053 0.000 0.991 81 G CA 0.060 45.138 45.100 -0.038 0.000 0.629 81 G HN 0.569 nan 8.290 nan 0.000 0.517 82 I N 4.026 124.578 120.570 -0.029 0.000 2.598 82 I HA 0.190 4.360 4.170 0.000 0.000 0.284 82 I C -1.271 174.794 176.117 -0.087 0.000 1.140 82 I CA -1.552 59.732 61.300 -0.027 0.000 1.420 82 I CB 0.627 38.655 38.000 0.046 0.000 1.387 82 I HN 0.008 nan 8.210 nan 0.000 0.553 83 P HA 0.004 nan 4.420 nan 0.000 0.268 83 P C 0.133 177.329 177.300 -0.174 0.000 1.205 83 P CA 0.229 63.201 63.100 -0.212 0.000 0.771 83 P CB 0.511 32.086 31.700 -0.210 0.000 0.858 84 H N 1.352 120.222 119.070 -0.333 0.000 2.421 84 H HA -0.144 4.412 4.556 0.000 0.000 0.298 84 H C 2.167 177.390 175.328 -0.175 0.000 1.087 84 H CA 1.118 56.935 56.048 -0.385 0.000 1.330 84 H CB 0.229 29.497 29.762 -0.822 0.000 1.388 84 H HN 0.478 nan 8.280 nan 0.000 0.526 85 K N 0.718 120.848 120.400 -0.450 0.000 2.057 85 K HA -0.120 4.200 4.320 0.000 0.000 0.207 85 K C 2.223 178.674 176.600 -0.248 0.000 1.049 85 K CA 1.490 57.315 56.287 -0.770 0.000 0.931 85 K CB 0.133 31.998 32.500 -1.057 0.000 0.714 85 K HN 0.083 nan 8.250 nan 0.000 0.440 86 S N 0.979 116.565 115.700 -0.191 0.000 2.368 86 S HA -0.049 4.421 4.470 0.000 0.000 0.224 86 S C 1.883 176.436 174.600 -0.078 0.000 1.029 86 S CA 1.083 59.220 58.200 -0.106 0.000 0.988 86 S CB -0.180 62.965 63.200 -0.091 0.000 0.838 86 S HN 0.268 nan 8.310 nan 0.000 0.462 87 I N 0.994 121.495 120.570 -0.115 0.000 2.142 87 I HA -0.175 3.995 4.170 0.000 0.000 0.240 87 I C 2.291 178.327 176.117 -0.134 0.000 1.078 87 I CA 0.935 62.071 61.300 -0.274 0.000 1.343 87 I CB -0.326 37.395 38.000 -0.466 0.000 1.046 87 I HN 0.234 nan 8.210 nan 0.000 0.405 88 L N 1.017 122.273 121.223 0.055 0.000 2.131 88 L HA -0.188 4.152 4.340 0.000 0.000 0.210 88 L C 2.614 179.517 176.870 0.055 0.000 1.092 88 L CA 1.671 56.566 54.840 0.091 0.000 0.759 88 L CB -0.755 41.473 42.059 0.282 0.000 0.903 88 L HN 0.112 nan 8.230 nan 0.000 0.435 89 R N -0.815 119.712 120.500 0.045 0.000 2.073 89 R HA -0.155 4.185 4.340 0.000 0.000 0.234 89 R C 2.051 178.362 176.300 0.019 0.000 1.134 89 R CA 1.493 57.611 56.100 0.029 0.000 0.952 89 R CB -0.085 30.217 30.300 0.004 0.000 0.850 89 R HN 0.361 nan 8.270 nan 0.000 0.433 90 E N 0.117 120.325 120.200 0.013 0.000 2.072 90 E HA -0.115 4.235 4.350 0.000 0.000 0.191 90 E C 2.107 178.730 176.600 0.039 0.000 0.985 90 E CA 1.115 57.534 56.400 0.032 0.000 0.801 90 E CB -0.149 29.589 29.700 0.062 0.000 0.750 90 E HN 0.202 nan 8.360 nan 0.000 0.452 91 V N 1.748 121.681 119.914 0.033 0.000 2.343 91 V HA -0.248 3.872 4.120 0.000 0.000 0.247 91 V C 2.446 178.553 176.094 0.023 0.000 1.051 91 V CA 1.474 63.795 62.300 0.035 0.000 1.036 91 V CB -0.498 31.333 31.823 0.013 0.000 0.654 91 V HN 0.193 nan 8.190 nan 0.000 0.451 92 I N 0.568 121.148 120.570 0.017 0.000 2.179 92 I HA -0.229 3.941 4.170 0.000 0.000 0.242 92 I C 2.701 178.829 176.117 0.017 0.000 1.088 92 I CA 1.525 62.834 61.300 0.016 0.000 1.357 92 I CB -0.654 37.358 38.000 0.020 0.000 1.051 92 I HN 0.286 nan 8.210 nan 0.000 0.409 93 A N 0.988 123.819 122.820 0.019 0.000 1.933 93 A HA -0.135 4.185 4.320 0.000 0.000 0.218 93 A C 2.423 180.016 177.584 0.015 0.000 1.175 93 A CA 1.937 53.984 52.037 0.016 0.000 0.628 93 A CB -1.384 17.625 19.000 0.016 0.000 0.814 93 A HN 0.481 nan 8.150 nan 0.000 0.444 94 G N -0.065 108.746 108.800 0.019 0.000 2.402 94 G HA2 -0.145 3.815 3.960 0.000 0.000 0.216 94 G HA3 -0.145 3.815 3.960 0.000 0.000 0.216 94 G C 1.528 176.438 174.900 0.015 0.000 1.162 94 G CA 1.081 46.191 45.100 0.017 0.000 0.777 94 G HN 0.480 nan 8.290 nan 0.000 0.539 95 I N 0.561 121.143 120.570 0.019 0.000 2.133 95 I HA -0.129 4.041 4.170 0.000 0.000 0.238 95 I C 2.785 178.910 176.117 0.014 0.000 1.074 95 I CA 1.299 62.610 61.300 0.019 0.000 1.342 95 I CB -0.357 37.655 38.000 0.021 0.000 1.053 95 I HN 0.234 nan 8.210 nan 0.000 0.404 96 E N 0.648 120.855 120.200 0.012 0.000 2.118 96 E HA -0.310 4.040 4.350 0.000 0.000 0.195 96 E C 1.992 178.596 176.600 0.007 0.000 0.992 96 E CA 1.372 57.778 56.400 0.010 0.000 0.804 96 E CB -0.288 29.418 29.700 0.010 0.000 0.741 96 E HN 0.501 nan 8.360 nan 0.000 0.458 97 E N 0.932 121.137 120.200 0.007 0.000 2.331 97 E HA -0.207 4.143 4.350 0.000 0.000 0.199 97 E C 1.031 177.632 176.600 0.001 0.000 1.008 97 E CA 0.801 57.203 56.400 0.004 0.000 0.843 97 E CB 0.208 29.910 29.700 0.004 0.000 0.761 97 E HN 0.116 nan 8.360 nan 0.000 0.507 98 E N -0.508 119.693 120.200 0.002 0.000 2.451 98 E HA 0.100 4.450 4.350 0.000 0.000 0.194 98 E C 0.530 177.131 176.600 0.001 0.000 1.027 98 E CA 0.480 56.880 56.400 -0.001 0.000 0.914 98 E CB 0.740 30.438 29.700 -0.003 0.000 1.054 98 E HN 0.396 nan 8.360 nan 0.000 0.461 99 G N 1.804 110.606 108.800 0.003 0.000 2.246 99 G HA2 -0.232 3.728 3.960 0.000 0.000 0.273 99 G HA3 -0.232 3.728 3.960 0.000 0.000 0.273 99 G C 0.126 175.030 174.900 0.007 0.000 1.055 99 G CA 0.135 45.238 45.100 0.004 0.000 0.851 99 G HN 0.188 nan 8.290 nan 0.000 0.500 100 I N -0.961 119.615 120.570 0.009 0.000 2.730 100 I HA 0.438 4.608 4.170 0.000 0.000 0.298 100 I C 0.266 176.390 176.117 0.011 0.000 1.089 100 I CA -1.497 59.810 61.300 0.012 0.000 1.041 100 I CB 2.035 40.045 38.000 0.017 0.000 1.235 100 I HN 0.001 nan 8.210 nan 0.000 0.423 101 K N 2.876 123.282 120.400 0.010 0.000 2.154 101 K HA 0.680 5.000 4.320 0.000 0.000 0.264 101 K C -0.219 176.385 176.600 0.007 0.000 1.008 101 K CA -0.254 56.038 56.287 0.008 0.000 0.937 101 K CB 1.143 33.646 32.500 0.006 0.000 1.002 101 K HN 0.726 nan 8.250 nan 0.000 0.469 102 A N 2.408 125.230 122.820 0.004 0.000 2.318 102 A HA 0.585 4.905 4.320 0.000 0.000 0.317 102 A C -0.914 176.665 177.584 -0.008 0.000 1.159 102 A CA -0.642 51.395 52.037 -0.001 0.000 0.799 102 A CB 0.723 19.723 19.000 0.000 0.000 1.194 102 A HN 0.708 nan 8.150 nan 0.000 0.479 103 R N 2.418 122.908 120.500 -0.016 0.000 2.513 103 R HA 0.615 4.955 4.340 0.000 0.000 0.301 103 R C -1.676 174.598 176.300 -0.043 0.000 0.968 103 R CA -0.329 55.757 56.100 -0.023 0.000 0.872 103 R CB 1.621 31.911 30.300 -0.017 0.000 1.177 103 R HN 0.494 nan 8.270 nan 0.000 0.444 104 V N 6.547 126.427 119.914 -0.056 0.000 2.472 104 V HA 0.516 4.636 4.120 0.000 0.000 0.290 104 V C 0.255 176.293 176.094 -0.092 0.000 1.037 104 V CA -0.630 61.614 62.300 -0.094 0.000 0.908 104 V CB 1.322 33.075 31.823 -0.117 0.000 0.985 104 V HN 0.740 nan 8.190 nan 0.000 0.454 105 I N 1.331 121.833 120.570 -0.114 0.000 2.865 105 I HA 0.722 4.892 4.170 0.000 0.000 0.302 105 I C -0.643 175.384 176.117 -0.150 0.000 1.140 105 I CA -1.124 60.121 61.300 -0.092 0.000 1.021 105 I CB 2.310 40.280 38.000 -0.050 0.000 1.233 105 I HN 0.567 nan 8.210 nan 0.000 0.427 106 R N 3.392 123.809 120.500 -0.139 0.000 2.338 106 R HA 0.668 5.008 4.340 0.000 0.000 0.317 106 R C -1.466 174.595 176.300 -0.398 0.000 0.968 106 R CA -0.309 55.608 56.100 -0.306 0.000 0.849 106 R CB 1.381 31.481 30.300 -0.333 0.000 1.128 106 R HN 0.903 nan 8.270 nan 0.000 0.448 107 C N 4.373 123.403 119.300 -0.450 0.000 2.366 107 C HA 0.512 4.972 4.460 0.000 0.000 0.345 107 C C 0.502 175.182 174.990 -0.517 0.000 1.209 107 C CA -0.557 58.286 59.018 -0.292 0.000 2.050 107 C CB 0.490 28.164 27.740 -0.110 0.000 2.359 107 C HN 0.940 nan 8.230 nan 0.000 0.527 108 F N -0.398 119.566 119.950 0.024 0.000 2.784 108 F HA 0.183 4.710 4.527 0.000 0.000 0.316 108 F C 1.991 177.807 175.800 0.028 0.000 1.026 108 F CA -0.134 57.886 58.000 0.033 0.000 1.188 108 F CB -0.253 38.763 39.000 0.026 0.000 0.999 108 F HN 0.465 nan 8.300 nan 0.000 0.605 109 K N 0.303 120.823 120.400 0.199 0.000 2.280 109 K HA -0.012 4.308 4.320 0.000 0.000 0.202 109 K C 0.643 177.273 176.600 0.051 0.000 1.047 109 K CA 1.147 57.496 56.287 0.103 0.000 0.942 109 K CB -0.027 32.517 32.500 0.073 0.000 0.739 109 K HN 0.140 nan 8.250 nan 0.000 0.457 110 S N -1.342 114.398 115.700 0.066 0.000 2.552 110 S HA 0.172 4.642 4.470 0.000 0.000 0.272 110 S C -0.003 174.654 174.600 0.095 0.000 1.150 110 S CA -0.655 57.578 58.200 0.054 0.000 0.849 110 S CB 1.635 64.847 63.200 0.019 0.000 1.113 110 S HN 0.117 nan 8.310 nan 0.000 0.458 111 S N 1.095 116.869 115.700 0.123 0.000 2.524 111 S HA 0.198 4.668 4.470 0.000 0.000 0.215 111 S C 0.309 175.089 174.600 0.301 0.000 0.986 111 S CA -0.152 58.148 58.200 0.168 0.000 0.911 111 S CB -0.228 63.019 63.200 0.078 0.000 0.805 111 S HN 0.760 nan 8.310 nan 0.000 0.501 112 D N 2.001 122.575 120.400 0.290 0.000 2.417 112 D HA 0.022 4.662 4.640 0.000 0.000 0.250 112 D C 1.248 177.677 176.300 0.215 0.000 1.166 112 D CA 0.091 54.252 54.000 0.270 0.000 0.881 112 D CB 1.617 42.622 40.800 0.342 0.000 1.164 112 D HN 0.019 nan 8.370 nan 0.000 0.467 113 V N 4.922 124.919 119.914 0.138 0.000 2.469 113 V HA -0.271 3.849 4.120 0.000 0.000 0.251 113 V C 2.192 178.331 176.094 0.076 0.000 1.064 113 V CA 2.530 64.889 62.300 0.100 0.000 1.066 113 V CB -0.410 31.462 31.823 0.082 0.000 0.667 113 V HN 0.738 nan 8.190 nan 0.000 0.461 114 A N -0.718 122.133 122.820 0.053 0.000 1.855 114 A HA -0.147 4.173 4.320 0.000 0.000 0.215 114 A C 1.964 179.434 177.584 -0.191 0.000 1.191 114 A CA 2.054 54.056 52.037 -0.058 0.000 0.613 114 A CB -0.816 18.075 19.000 -0.182 0.000 0.829 114 A HN 0.558 nan 8.150 nan 0.000 0.442 115 F N -0.455 119.505 119.950 0.015 0.000 2.325 115 F HA -0.073 4.454 4.527 0.000 0.000 0.299 115 F C 2.342 178.121 175.800 -0.035 0.000 1.090 115 F CA 1.005 58.993 58.000 -0.021 0.000 1.392 115 F CB -0.316 38.688 39.000 0.005 0.000 1.053 115 F HN 0.017 nan 8.300 nan 0.000 0.521 116 V N 0.007 119.998 119.914 0.129 0.000 2.295 116 V HA -0.321 3.799 4.120 0.000 0.000 0.246 116 V C 2.581 178.668 176.094 -0.013 0.000 1.049 116 V CA 1.909 64.238 62.300 0.048 0.000 1.024 116 V CB -1.192 30.650 31.823 0.032 0.000 0.648 116 V HN 0.356 nan 8.190 nan 0.000 0.447 117 A N -0.442 122.361 122.820 -0.028 0.000 1.933 117 A HA -0.154 4.166 4.320 0.000 0.000 0.218 117 A C 2.379 179.853 177.584 -0.183 0.000 1.175 117 A CA 1.958 53.960 52.037 -0.059 0.000 0.628 117 A CB -0.651 18.370 19.000 0.034 0.000 0.814 117 A HN 0.337 nan 8.150 nan 0.000 0.444 118 V N 0.304 120.035 119.914 -0.305 0.000 2.343 118 V HA -0.278 3.842 4.120 0.000 0.000 0.247 118 V C 2.399 178.404 176.094 -0.149 0.000 1.051 118 V CA 2.247 64.326 62.300 -0.368 0.000 1.036 118 V CB -0.822 30.794 31.823 -0.345 0.000 0.654 118 V HN 0.624 nan 8.190 nan 0.000 0.451 119 E N 0.167 120.332 120.200 -0.057 0.000 2.160 119 E HA -0.180 4.170 4.350 0.000 0.000 0.195 119 E C 2.290 178.870 176.600 -0.033 0.000 0.991 119 E CA 1.295 57.687 56.400 -0.014 0.000 0.810 119 E CB -0.391 29.321 29.700 0.021 0.000 0.742 119 E HN 0.678 nan 8.360 nan 0.000 0.466 120 G N 1.872 110.640 108.800 -0.053 0.000 2.394 120 G HA2 -0.274 3.686 3.960 0.000 0.000 0.215 120 G HA3 -0.274 3.686 3.960 0.000 0.000 0.215 120 G C 1.282 176.157 174.900 -0.042 0.000 1.165 120 G CA 0.804 45.877 45.100 -0.045 0.000 0.784 120 G HN 0.399 nan 8.290 nan 0.000 0.535 121 N N 0.010 118.670 118.700 -0.066 0.000 2.459 121 N HA -0.027 4.713 4.740 0.000 0.000 0.181 121 N C 2.043 177.530 175.510 -0.039 0.000 1.046 121 N CA 0.043 53.064 53.050 -0.048 0.000 0.904 121 N CB -0.241 38.210 38.487 -0.059 0.000 0.964 121 N HN 0.234 nan 8.380 nan 0.000 0.444 122 R N 0.242 120.716 120.500 -0.043 0.000 2.148 122 R HA 0.129 4.469 4.340 0.000 0.000 0.223 122 R C 1.753 178.046 176.300 -0.012 0.000 1.088 122 R CA 0.726 56.812 56.100 -0.024 0.000 0.985 122 R CB 0.021 30.310 30.300 -0.018 0.000 0.880 122 R HN 0.309 nan 8.270 nan 0.000 0.451 123 L N -0.233 120.983 121.223 -0.012 0.000 2.513 123 L HA 0.129 4.469 4.340 0.000 0.000 0.222 123 L C 0.945 177.812 176.870 -0.005 0.000 1.096 123 L CA -0.192 54.644 54.840 -0.006 0.000 0.857 123 L CB 0.352 42.408 42.059 -0.004 0.000 1.026 123 L HN -0.055 nan 8.230 nan 0.000 0.469 124 S N 0.359 116.055 115.700 -0.007 0.000 2.533 124 S HA 0.162 4.632 4.470 0.000 0.000 0.282 124 S C 1.438 176.040 174.600 0.004 0.000 1.304 124 S CA 0.067 58.266 58.200 -0.001 0.000 1.063 124 S CB 1.415 64.616 63.200 0.002 0.000 0.881 124 S HN 0.347 nan 8.310 nan 0.000 0.493 125 G N 2.661 111.465 108.800 0.006 0.000 2.470 125 G HA2 -0.138 3.822 3.960 0.000 0.000 0.220 125 G HA3 -0.138 3.822 3.960 0.000 0.000 0.220 125 G C 1.366 176.273 174.900 0.012 0.000 1.121 125 G CA 0.824 45.929 45.100 0.008 0.000 0.766 125 G HN 0.916 nan 8.290 nan 0.000 0.553 126 S N -1.364 114.346 115.700 0.017 0.000 2.540 126 S HA 0.395 4.865 4.470 0.000 0.000 0.218 126 S C 1.864 176.479 174.600 0.025 0.000 0.977 126 S CA 0.924 59.139 58.200 0.025 0.000 0.918 126 S CB 0.262 63.482 63.200 0.034 0.000 0.806 126 S HN 1.415 nan 8.310 nan 0.000 0.496 127 G N 1.263 110.073 108.800 0.017 0.000 2.205 127 G HA2 -0.207 3.753 3.960 0.000 0.000 0.261 127 G HA3 -0.207 3.753 3.960 0.000 0.000 0.261 127 G C -0.002 174.909 174.900 0.018 0.000 0.980 127 G CA 0.345 45.454 45.100 0.014 0.000 0.632 127 G HN 0.511 nan 8.290 nan 0.000 0.533 128 I N 1.753 122.339 120.570 0.027 0.000 2.385 128 I HA 0.656 4.826 4.170 0.000 0.000 0.294 128 I C 0.709 176.845 176.117 0.032 0.000 0.988 128 I CA -0.360 60.961 61.300 0.034 0.000 1.265 128 I CB 1.212 39.252 38.000 0.067 0.000 1.388 128 I HN 0.514 nan 8.210 nan 0.000 0.480 129 S N 6.391 122.113 115.700 0.037 0.000 2.618 129 S HA 0.796 5.266 4.470 0.000 0.000 0.277 129 S C -0.932 173.697 174.600 0.048 0.000 1.138 129 S CA -0.814 57.404 58.200 0.029 0.000 0.844 129 S CB 2.341 65.543 63.200 0.004 0.000 1.127 129 S HN 0.375 nan 8.310 nan 0.000 0.474 130 I N 1.380 121.968 120.570 0.031 0.000 2.439 130 I HA 0.541 4.711 4.170 0.000 0.000 0.285 130 I C 0.430 176.554 176.117 0.012 0.000 1.021 130 I CA -0.669 60.658 61.300 0.046 0.000 1.091 130 I CB 1.866 39.892 38.000 0.043 0.000 1.242 130 I HN 0.927 nan 8.210 nan 0.000 0.439 131 G N 7.205 116.029 108.800 0.040 0.000 2.348 131 G HA2 0.803 4.763 3.960 0.000 0.000 0.312 131 G HA3 0.803 4.763 3.960 0.000 0.000 0.312 131 G C -0.735 174.181 174.900 0.026 0.000 1.126 131 G CA -0.368 44.739 45.100 0.012 0.000 0.865 131 G HN 0.511 nan 8.290 nan 0.000 0.474 132 I N 1.203 121.755 120.570 -0.030 0.000 2.571 132 I HA 0.225 4.395 4.170 0.000 0.000 0.289 132 I C -0.253 175.885 176.117 0.035 0.000 1.115 132 I CA -0.630 60.676 61.300 0.011 0.000 1.045 132 I CB 2.318 40.275 38.000 -0.071 0.000 1.238 132 I HN 0.410 nan 8.210 nan 0.000 0.424 133 Q N 2.733 122.609 119.800 0.127 0.000 2.212 133 Q HA 0.371 4.711 4.340 0.000 0.000 0.238 133 Q C 0.853 176.986 176.000 0.222 0.000 0.955 133 Q CA -0.600 55.303 55.803 0.167 0.000 0.906 133 Q CB 1.720 30.567 28.738 0.181 0.000 1.215 133 Q HN 0.630 nan 8.270 nan 0.000 0.478 134 S N 0.839 116.669 115.700 0.217 0.000 2.383 134 S HA -0.187 4.283 4.470 0.000 0.000 0.229 134 S C 1.478 176.242 174.600 0.272 0.000 1.030 134 S CA 1.711 60.023 58.200 0.187 0.000 1.002 134 S CB -0.124 63.216 63.200 0.233 0.000 0.829 134 S HN 0.556 nan 8.310 nan 0.000 0.467 135 K N 0.534 121.061 120.400 0.212 0.000 2.439 135 K HA 0.169 4.489 4.320 0.000 0.000 0.197 135 K C 1.366 178.065 176.600 0.166 0.000 1.041 135 K CA 1.018 57.407 56.287 0.171 0.000 0.970 135 K CB -0.150 32.437 32.500 0.145 0.000 0.773 135 K HN 0.397 nan 8.250 nan 0.000 0.479 136 G N 0.490 109.412 108.800 0.204 0.000 2.316 136 G HA2 -0.220 3.740 3.960 0.000 0.000 0.203 136 G HA3 -0.220 3.740 3.960 0.000 0.000 0.203 136 G C 0.150 175.198 174.900 0.247 0.000 0.999 136 G CA -0.051 45.202 45.100 0.255 0.000 0.649 136 G HN 0.310 nan 8.290 nan 0.000 0.489 137 T N 2.631 117.289 114.554 0.173 0.000 2.905 137 T HA 0.449 4.799 4.350 0.000 0.000 0.299 137 T C 0.253 175.062 174.700 0.182 0.000 1.024 137 T CA 1.373 63.564 62.100 0.153 0.000 1.151 137 T CB 1.079 70.010 68.868 0.106 0.000 0.987 137 T HN 0.384 nan 8.240 nan 0.000 0.535 138 T N 2.573 117.259 114.554 0.220 0.000 2.906 138 T HA 0.683 5.033 4.350 0.000 0.000 0.295 138 T C -0.920 173.975 174.700 0.325 0.000 1.061 138 T CA -0.641 61.606 62.100 0.246 0.000 1.000 138 T CB 2.073 71.067 68.868 0.209 0.000 1.103 138 T HN 0.509 nan 8.240 nan 0.000 0.486 139 V N 2.706 122.766 119.914 0.243 0.000 3.012 139 V HA 0.616 4.736 4.120 0.000 0.000 0.307 139 V C -1.714 174.474 176.094 0.156 0.000 1.166 139 V CA -0.949 61.463 62.300 0.186 0.000 0.974 139 V CB 1.854 33.727 31.823 0.083 0.000 1.040 139 V HN 0.868 nan 8.190 nan 0.000 0.428 140 I N 6.522 127.157 120.570 0.109 0.000 2.330 140 I HA 0.497 4.667 4.170 0.000 0.000 0.289 140 I C -0.304 175.781 176.117 -0.054 0.000 1.001 140 I CA -0.475 60.861 61.300 0.060 0.000 1.193 140 I CB 1.007 39.054 38.000 0.077 0.000 1.345 140 I HN 0.646 nan 8.210 nan 0.000 0.461 141 H N 5.800 124.823 119.070 -0.078 0.000 2.693 141 H HA 0.525 5.081 4.556 0.000 0.000 0.348 141 H C -1.276 173.981 175.328 -0.118 0.000 1.222 141 H CA -0.494 55.489 56.048 -0.108 0.000 1.270 141 H CB 2.397 32.105 29.762 -0.090 0.000 1.798 141 H HN 0.538 nan 8.280 nan 0.000 0.592 142 Q N 1.738 121.675 119.800 0.229 0.000 2.271 142 Q HA 0.137 4.477 4.340 0.000 0.000 0.268 142 Q C -1.194 174.875 176.000 0.115 0.000 1.021 142 Q CA -0.655 55.198 55.803 0.084 0.000 0.802 142 Q CB 1.946 30.656 28.738 -0.048 0.000 1.282 142 Q HN 0.653 nan 8.270 nan 0.000 0.431 143 Q N 1.849 121.674 119.800 0.042 0.000 2.308 143 Q HA 0.119 4.459 4.340 0.000 0.000 0.313 143 Q C 0.598 176.610 176.000 0.019 0.000 1.075 143 Q CA 2.052 57.861 55.803 0.012 0.000 0.995 143 Q CB 0.087 28.826 28.738 0.000 0.000 1.107 143 Q HN 0.976 nan 8.270 nan 0.000 0.380 144 G N 3.034 111.844 108.800 0.016 0.000 2.339 144 G HA2 -0.226 3.734 3.960 0.000 0.000 0.209 144 G HA3 -0.226 3.734 3.960 0.000 0.000 0.209 144 G C -0.018 174.895 174.900 0.022 0.000 1.015 144 G CA -0.103 45.005 45.100 0.014 0.000 0.635 144 G HN 0.545 nan 8.290 nan 0.000 0.499 145 L N 2.160 123.414 121.223 0.050 0.000 2.436 145 L HA 0.432 4.772 4.340 0.000 0.000 0.265 145 L C -1.676 175.249 176.870 0.090 0.000 1.168 145 L CA -1.837 53.032 54.840 0.048 0.000 0.815 145 L CB 0.595 42.657 42.059 0.006 0.000 1.109 145 L HN -0.017 nan 8.230 nan 0.000 0.462 146 P HA 0.073 nan 4.420 nan 0.000 0.269 146 P C -2.092 175.240 177.300 0.054 0.000 1.209 146 P CA -0.923 62.190 63.100 0.022 0.000 0.776 146 P CB 0.187 31.883 31.700 -0.007 0.000 0.876 147 P HA -0.128 nan 4.420 nan 0.000 0.216 147 P C 0.760 178.001 177.300 -0.098 0.000 1.153 147 P CA 1.518 64.494 63.100 -0.206 0.000 0.858 147 P CB -0.097 31.260 31.700 -0.572 0.000 0.789 148 L N -2.199 118.959 121.223 -0.108 0.000 2.629 148 L HA 0.137 4.477 4.340 0.000 0.000 0.230 148 L C 0.654 177.463 176.870 -0.102 0.000 1.151 148 L CA 0.063 54.849 54.840 -0.091 0.000 0.924 148 L CB -0.254 41.774 42.059 -0.051 0.000 1.137 148 L HN -0.111 nan 8.230 nan 0.000 0.457 149 S N 0.567 116.188 115.700 -0.133 0.000 2.664 149 S HA 0.619 5.089 4.470 0.000 0.000 0.304 149 S C -0.374 173.961 174.600 -0.441 0.000 1.099 149 S CA -0.696 57.382 58.200 -0.203 0.000 1.003 149 S CB 1.723 64.837 63.200 -0.144 0.000 1.092 149 S HN 0.428 nan 8.310 nan 0.000 0.525 150 N N 0.055 118.509 118.700 -0.411 0.000 3.179 150 N HA 0.270 5.010 4.740 0.000 0.000 0.250 150 N C -0.188 175.107 175.510 -0.358 0.000 1.507 150 N CA -0.724 52.006 53.050 -0.534 0.000 0.883 150 N CB 0.600 38.828 38.487 -0.433 0.000 1.435 150 N HN 0.365 nan 8.380 nan 0.000 0.532 151 L N -0.558 120.447 121.223 -0.365 0.000 2.168 151 L HA 0.246 4.586 4.340 0.000 0.000 0.203 151 L C 0.190 176.915 176.870 -0.243 0.000 1.078 151 L CA 1.071 55.689 54.840 -0.370 0.000 0.780 151 L CB -0.094 41.547 42.059 -0.696 0.000 0.939 151 L HN 0.554 nan 8.230 nan 0.000 0.451 152 E N -0.119 119.953 120.200 -0.215 0.000 2.343 152 E HA 0.482 4.832 4.350 0.000 0.000 0.278 152 E C -1.720 174.676 176.600 -0.340 0.000 0.910 152 E CA -0.574 55.683 56.400 -0.238 0.000 0.757 152 E CB 3.229 32.879 29.700 -0.085 0.000 1.218 152 E HN -0.160 nan 8.360 nan 0.000 0.435 153 L N 2.024 122.908 121.223 -0.565 0.000 2.370 153 L HA 0.601 4.941 4.340 0.000 0.000 0.266 153 L C -1.843 174.528 176.870 -0.833 0.000 1.002 153 L CA -0.414 54.142 54.840 -0.472 0.000 0.818 153 L CB 1.269 43.179 42.059 -0.249 0.000 1.325 153 L HN 0.505 nan 8.230 nan 0.000 0.418 154 F N 5.248 125.181 119.950 -0.028 0.000 2.564 154 F HA 0.434 4.961 4.527 0.000 0.000 0.361 154 F C -1.694 174.091 175.800 -0.026 0.000 1.161 154 F CA -1.080 56.898 58.000 -0.037 0.000 1.198 154 F CB 0.979 39.944 39.000 -0.057 0.000 1.424 154 F HN 0.411 nan 8.300 nan 0.000 0.517 155 P HA -0.049 nan 4.420 nan 0.000 0.245 155 P C -0.317 177.005 177.300 0.036 0.000 1.212 155 P CA 0.673 63.787 63.100 0.023 0.000 0.774 155 P CB 0.433 32.121 31.700 -0.020 0.000 0.999 156 Q N -0.518 119.313 119.800 0.051 0.000 3.122 156 Q HA 0.443 4.783 4.340 0.000 0.000 0.282 156 Q C 1.011 177.024 176.000 0.021 0.000 0.947 156 Q CA -0.413 55.413 55.803 0.037 0.000 0.812 156 Q CB 1.182 29.941 28.738 0.035 0.000 1.333 156 Q HN -0.046 nan 8.270 nan 0.000 0.430 157 A N 1.999 124.831 122.820 0.021 0.000 1.940 157 A HA -0.169 4.151 4.320 0.000 0.000 0.221 157 A C -0.642 176.900 177.584 -0.071 0.000 1.190 157 A CA 1.653 53.692 52.037 0.004 0.000 0.647 157 A CB -1.113 17.910 19.000 0.038 0.000 0.821 157 A HN 0.446 nan 8.150 nan 0.000 0.457 158 P HA -0.113 nan 4.420 nan 0.000 0.220 158 P C 1.016 178.224 177.300 -0.152 0.000 1.144 158 P CA 0.842 63.754 63.100 -0.313 0.000 0.800 158 P CB -0.086 31.249 31.700 -0.608 0.000 0.772 159 L N -2.440 118.738 121.223 -0.076 0.000 2.558 159 L HA 0.084 4.424 4.340 0.000 0.000 0.225 159 L C 0.956 177.785 176.870 -0.069 0.000 1.128 159 L CA -0.125 54.690 54.840 -0.041 0.000 0.868 159 L CB -0.370 41.686 42.059 -0.005 0.000 1.006 159 L HN -0.029 nan 8.230 nan 0.000 0.454 160 L N 0.592 121.746 121.223 -0.115 0.000 2.397 160 L HA 0.205 4.545 4.340 0.000 0.000 0.271 160 L C 0.638 177.411 176.870 -0.161 0.000 1.148 160 L CA 0.013 54.708 54.840 -0.242 0.000 0.825 160 L CB 0.991 42.770 42.059 -0.467 0.000 1.117 160 L HN 0.150 nan 8.230 nan 0.000 0.456 161 T N -1.189 113.258 114.554 -0.178 0.000 2.888 161 T HA 0.432 4.782 4.350 0.000 0.000 0.288 161 T C 1.012 175.742 174.700 0.050 0.000 1.063 161 T CA -0.944 61.138 62.100 -0.030 0.000 1.010 161 T CB 1.198 70.051 68.868 -0.026 0.000 1.214 161 T HN 0.421 nan 8.240 nan 0.000 0.533 162 L N 0.256 121.557 121.223 0.130 0.000 2.191 162 L HA -0.062 4.278 4.340 0.000 0.000 0.212 162 L C 2.778 179.710 176.870 0.103 0.000 1.103 162 L CA 1.438 56.386 54.840 0.180 0.000 0.769 162 L CB -0.553 41.562 42.059 0.094 0.000 0.908 162 L HN 0.794 nan 8.230 nan 0.000 0.438 163 E N -0.622 119.596 120.200 0.031 0.000 2.152 163 E HA -0.134 4.216 4.350 0.000 0.000 0.192 163 E C 2.073 178.650 176.600 -0.039 0.000 0.983 163 E CA 1.556 57.957 56.400 0.002 0.000 0.818 163 E CB -0.049 29.646 29.700 -0.009 0.000 0.758 163 E HN 0.486 nan 8.360 nan 0.000 0.467 164 T N 0.538 115.025 114.554 -0.111 0.000 2.737 164 T HA -0.143 4.207 4.350 0.000 0.000 0.265 164 T C 1.515 176.048 174.700 -0.278 0.000 1.038 164 T CA 0.963 62.922 62.100 -0.234 0.000 1.144 164 T CB -0.418 68.224 68.868 -0.375 0.000 0.866 164 T HN 0.168 nan 8.240 nan 0.000 0.434 165 Y N 1.434 121.644 120.300 -0.151 0.000 2.315 165 Y HA -0.033 4.517 4.550 0.000 0.000 0.288 165 Y C 2.626 178.467 175.900 -0.098 0.000 1.154 165 Y CA 0.574 58.588 58.100 -0.142 0.000 1.229 165 Y CB -0.356 38.059 38.460 -0.075 0.000 0.980 165 Y HN 0.078 nan 8.280 nan 0.000 0.540 166 R N -0.206 120.336 120.500 0.070 0.000 2.055 166 R HA -0.135 4.205 4.340 0.000 0.000 0.226 166 R C 2.126 178.431 176.300 0.007 0.000 1.135 166 R CA 1.127 57.250 56.100 0.038 0.000 0.959 166 R CB -0.028 30.288 30.300 0.028 0.000 0.854 166 R HN 0.191 nan 8.270 nan 0.000 0.431 167 Q N 0.595 120.383 119.800 -0.020 0.000 2.135 167 Q HA -0.160 4.180 4.340 0.000 0.000 0.204 167 Q C 2.167 178.162 176.000 -0.009 0.000 0.981 167 Q CA 1.377 57.170 55.803 -0.017 0.000 0.856 167 Q CB -0.152 28.573 28.738 -0.021 0.000 0.902 167 Q HN 0.480 nan 8.270 nan 0.000 0.425 168 I N -0.036 120.499 120.570 -0.058 0.000 2.179 168 I HA -0.218 3.952 4.170 0.000 0.000 0.242 168 I C 2.319 178.463 176.117 0.046 0.000 1.088 168 I CA 1.337 62.616 61.300 -0.035 0.000 1.357 168 I CB -0.681 37.196 38.000 -0.205 0.000 1.051 168 I HN 0.219 nan 8.210 nan 0.000 0.409 169 G N 0.458 109.279 108.800 0.035 0.000 2.422 169 G HA2 -0.265 3.695 3.960 0.000 0.000 0.218 169 G HA3 -0.265 3.695 3.960 0.000 0.000 0.218 169 G C 1.731 176.655 174.900 0.041 0.000 1.146 169 G CA 0.633 45.760 45.100 0.045 0.000 0.769 169 G HN 0.284 nan 8.290 nan 0.000 0.547 170 K N 0.073 120.488 120.400 0.025 0.000 2.026 170 K HA -0.097 4.223 4.320 0.000 0.000 0.208 170 K C 2.364 178.963 176.600 -0.001 0.000 1.048 170 K CA 1.402 57.694 56.287 0.009 0.000 0.929 170 K CB -0.103 32.396 32.500 -0.001 0.000 0.713 170 K HN 0.191 nan 8.250 nan 0.000 0.439 171 N N 0.277 118.985 118.700 0.013 0.000 2.216 171 N HA -0.078 4.662 4.740 0.000 0.000 0.183 171 N C 1.453 176.998 175.510 0.057 0.000 1.017 171 N CA 1.176 54.206 53.050 -0.033 0.000 0.861 171 N CB -0.190 38.324 38.487 0.046 0.000 0.986 171 N HN 0.247 nan 8.380 nan 0.000 0.428 172 A N 0.729 123.662 122.820 0.188 0.000 1.908 172 A HA -0.081 4.239 4.320 0.000 0.000 0.218 172 A C 2.284 179.975 177.584 0.178 0.000 1.181 172 A CA 2.000 54.196 52.037 0.264 0.000 0.627 172 A CB -1.092 18.004 19.000 0.160 0.000 0.818 172 A HN 0.319 nan 8.150 nan 0.000 0.445 173 A N -0.110 122.760 122.820 0.084 0.000 1.877 173 A HA -0.187 4.133 4.320 0.000 0.000 0.216 173 A C 2.226 179.826 177.584 0.026 0.000 1.186 173 A CA 1.607 53.673 52.037 0.048 0.000 0.620 173 A CB -0.498 18.516 19.000 0.023 0.000 0.822 173 A HN 0.584 nan 8.150 nan 0.000 0.443 174 R N -1.900 118.578 120.500 -0.036 0.000 2.096 174 R HA -0.158 4.182 4.340 0.000 0.000 0.235 174 R C 1.995 178.251 176.300 -0.073 0.000 1.127 174 R CA 1.708 57.748 56.100 -0.099 0.000 0.968 174 R CB -0.545 29.630 30.300 -0.208 0.000 0.861 174 R HN 0.630 nan 8.270 nan 0.000 0.440 175 Y N 0.719 121.028 120.300 0.016 0.000 2.181 175 Y HA -0.140 4.410 4.550 0.000 0.000 0.288 175 Y C 2.584 178.492 175.900 0.012 0.000 1.146 175 Y CA 1.022 59.130 58.100 0.014 0.000 1.164 175 Y CB -0.651 37.819 38.460 0.018 0.000 0.982 175 Y HN 0.105 nan 8.280 nan 0.000 0.515 176 A N 0.038 122.963 122.820 0.174 0.000 1.978 176 A HA -0.202 4.118 4.320 0.000 0.000 0.220 176 A C 1.873 179.497 177.584 0.066 0.000 1.170 176 A CA 1.675 53.773 52.037 0.100 0.000 0.636 176 A CB -0.526 18.518 19.000 0.075 0.000 0.810 176 A HN 0.394 nan 8.150 nan 0.000 0.448 177 K N -1.445 118.985 120.400 0.050 0.000 2.469 177 K HA 0.198 4.518 4.320 0.000 0.000 0.201 177 K C -0.017 176.600 176.600 0.029 0.000 1.028 177 K CA -0.200 56.104 56.287 0.028 0.000 1.170 177 K CB 0.290 32.796 32.500 0.010 0.000 0.874 177 K HN 0.208 nan 8.250 nan 0.000 0.507 178 R N 0.809 121.340 120.500 0.052 0.000 3.641 178 R HA -0.180 4.160 4.340 0.000 0.000 0.286 178 R C -1.098 175.221 176.300 0.033 0.000 1.153 178 R CA 0.715 56.848 56.100 0.054 0.000 0.775 178 R CB -2.264 28.059 30.300 0.038 0.000 1.215 178 R HN 0.424 nan 8.270 nan 0.000 0.474 179 E N -1.020 119.184 120.200 0.007 0.000 2.250 179 E HA 0.446 4.796 4.350 0.000 0.000 0.269 179 E C -0.299 176.264 176.600 -0.062 0.000 1.018 179 E CA -0.625 55.754 56.400 -0.035 0.000 0.873 179 E CB 1.253 30.912 29.700 -0.068 0.000 1.134 179 E HN 0.050 nan 8.360 nan 0.000 0.403 180 S N 3.358 119.022 115.700 -0.060 0.000 2.891 180 S HA 0.221 4.691 4.470 0.000 0.000 0.186 180 S C -2.047 172.484 174.600 -0.115 0.000 1.401 180 S CA -1.098 57.068 58.200 -0.056 0.000 1.035 180 S CB -0.031 63.170 63.200 0.002 0.000 1.293 180 S HN 0.379 nan 8.310 nan 0.000 0.493 181 P HA 0.126 nan 4.420 nan 0.000 0.272 181 P C -0.648 176.574 177.300 -0.131 0.000 1.230 181 P CA -0.427 62.544 63.100 -0.215 0.000 0.788 181 P CB 0.647 32.142 31.700 -0.342 0.000 0.949 182 Q N 1.719 121.476 119.800 -0.072 0.000 2.313 182 Q HA 0.210 4.550 4.340 0.000 0.000 0.266 182 Q C -1.949 174.049 176.000 -0.003 0.000 0.989 182 Q CA -1.457 54.331 55.803 -0.025 0.000 0.890 182 Q CB -0.346 28.382 28.738 -0.016 0.000 1.200 182 Q HN 0.359 nan 8.270 nan 0.000 0.396 183 P HA -0.078 nan 4.420 nan 0.000 0.267 183 P C -0.756 176.591 177.300 0.079 0.000 1.200 183 P CA -0.078 63.065 63.100 0.072 0.000 0.772 183 P CB 0.440 32.166 31.700 0.044 0.000 0.855 184 V N 5.470 125.476 119.914 0.153 0.000 2.540 184 V HA 0.008 4.128 4.120 0.000 0.000 0.297 184 V C -1.722 174.453 176.094 0.135 0.000 1.024 184 V CA -0.843 61.565 62.300 0.180 0.000 1.105 184 V CB -0.632 31.411 31.823 0.367 0.000 0.938 184 V HN 0.625 nan 8.190 nan 0.000 0.482 185 P HA 0.000 nan 4.420 nan 0.000 0.263 185 P C 0.115 177.452 177.300 0.063 0.000 1.175 185 P CA 0.356 63.487 63.100 0.053 0.000 0.761 185 P CB 0.066 31.788 31.700 0.037 0.000 0.794 186 T N 4.061 118.630 114.554 0.025 0.000 2.928 186 T HA 0.148 4.498 4.350 0.000 0.000 0.305 186 T C 0.290 175.006 174.700 0.026 0.000 1.035 186 T CA 0.278 62.384 62.100 0.009 0.000 1.145 186 T CB -0.183 68.676 68.868 -0.015 0.000 0.963 186 T HN 0.195 nan 8.240 nan 0.000 0.545 187 L N 4.076 125.321 121.223 0.037 0.000 2.342 187 L HA 0.532 4.872 4.340 0.000 0.000 0.276 187 L C -0.042 176.843 176.870 0.025 0.000 0.997 187 L CA -0.754 54.107 54.840 0.036 0.000 0.838 187 L CB 1.305 43.395 42.059 0.052 0.000 1.224 187 L HN 0.582 nan 8.230 nan 0.000 0.416 188 N N 1.681 120.392 118.700 0.018 0.000 2.235 188 N HA 0.499 5.239 4.740 0.000 0.000 0.293 188 N C -1.964 173.560 175.510 0.022 0.000 1.083 188 N CA -0.472 52.588 53.050 0.017 0.000 0.801 188 N CB 2.293 40.783 38.487 0.006 0.000 1.559 188 N HN 0.424 nan 8.380 nan 0.000 0.472 189 D N 1.370 121.787 120.400 0.029 0.000 2.764 189 D HA 0.084 4.724 4.640 0.000 0.000 0.227 189 D C 0.353 176.676 176.300 0.037 0.000 1.347 189 D CA -0.259 53.762 54.000 0.035 0.000 0.953 189 D CB 1.442 42.271 40.800 0.049 0.000 1.476 189 D HN 0.736 nan 8.370 nan 0.000 0.585 190 Q N 2.618 122.435 119.800 0.027 0.000 2.308 190 Q HA -0.134 4.206 4.340 0.000 0.000 0.209 190 Q C 0.726 176.743 176.000 0.028 0.000 0.985 190 Q CA 1.099 56.916 55.803 0.024 0.000 0.881 190 Q CB 0.049 28.796 28.738 0.016 0.000 0.917 190 Q HN 0.369 nan 8.270 nan 0.000 0.443 191 M N -0.268 119.353 119.600 0.035 0.000 2.428 191 M HA 0.270 4.750 4.480 0.000 0.000 0.239 191 M C 1.696 178.032 176.300 0.060 0.000 1.121 191 M CA 0.484 55.803 55.300 0.032 0.000 1.019 191 M CB -0.019 32.593 32.600 0.020 0.000 1.485 191 M HN 0.390 nan 8.290 nan 0.000 0.484 192 A N 1.153 124.030 122.820 0.095 0.000 1.877 192 A HA -0.198 4.122 4.320 0.000 0.000 0.216 192 A C 2.350 180.037 177.584 0.171 0.000 1.186 192 A CA 1.984 54.126 52.037 0.175 0.000 0.620 192 A CB -0.583 18.496 19.000 0.132 0.000 0.822 192 A HN 0.502 nan 8.150 nan 0.000 0.443 193 R N -0.163 120.396 120.500 0.098 0.000 2.062 193 R HA -0.081 4.259 4.340 0.000 0.000 0.231 193 R C -0.865 175.464 176.300 0.047 0.000 1.136 193 R CA 1.702 57.849 56.100 0.078 0.000 0.948 193 R CB -1.274 29.056 30.300 0.050 0.000 0.845 193 R HN 0.344 nan 8.270 nan 0.000 0.430 194 P HA -0.187 nan 4.420 nan 0.000 0.216 194 P C 0.570 177.834 177.300 -0.059 0.000 1.150 194 P CA 1.602 64.695 63.100 -0.012 0.000 0.843 194 P CB -0.013 31.679 31.700 -0.013 0.000 0.787 195 K N -2.319 118.019 120.400 -0.103 0.000 2.211 195 K HA -0.029 4.291 4.320 0.000 0.000 0.201 195 K C 0.956 177.280 176.600 -0.461 0.000 1.052 195 K CA 0.998 57.092 56.287 -0.322 0.000 0.973 195 K CB 0.089 32.309 32.500 -0.467 0.000 0.766 195 K HN 0.118 nan 8.250 nan 0.000 0.466 196 Y N -0.326 119.988 120.300 0.023 0.000 2.471 196 Y HA 0.176 4.726 4.550 0.000 0.000 0.249 196 Y C 1.876 177.795 175.900 0.032 0.000 1.116 196 Y CA -0.369 57.749 58.100 0.029 0.000 1.240 196 Y CB 0.326 38.806 38.460 0.033 0.000 1.251 196 Y HN 0.072 nan 8.280 nan 0.000 0.527 197 Q N 1.178 121.065 119.800 0.145 0.000 2.096 197 Q HA -0.213 4.127 4.340 0.000 0.000 0.204 197 Q C 2.325 178.378 176.000 0.088 0.000 0.982 197 Q CA 2.031 57.897 55.803 0.103 0.000 0.850 197 Q CB -0.072 28.707 28.738 0.067 0.000 0.901 197 Q HN 0.471 nan 8.270 nan 0.000 0.422 198 A N 1.083 123.944 122.820 0.068 0.000 1.908 198 A HA -0.242 4.078 4.320 0.000 0.000 0.218 198 A C 2.035 179.667 177.584 0.079 0.000 1.181 198 A CA 1.797 53.870 52.037 0.059 0.000 0.627 198 A CB -0.620 18.401 19.000 0.035 0.000 0.818 198 A HN 0.417 nan 8.150 nan 0.000 0.445 199 K N -0.399 120.063 120.400 0.103 0.000 2.097 199 K HA -0.131 4.189 4.320 0.000 0.000 0.206 199 K C 2.349 179.027 176.600 0.130 0.000 1.049 199 K CA 1.498 57.859 56.287 0.124 0.000 0.933 199 K CB -0.224 32.385 32.500 0.182 0.000 0.717 199 K HN 0.433 nan 8.250 nan 0.000 0.442 200 S N 0.057 115.840 115.700 0.139 0.000 2.370 200 S HA -0.160 4.310 4.470 0.000 0.000 0.226 200 S C 1.992 176.671 174.600 0.132 0.000 1.033 200 S CA 1.359 59.634 58.200 0.126 0.000 1.011 200 S CB -0.347 62.917 63.200 0.107 0.000 0.852 200 S HN 0.466 nan 8.310 nan 0.000 0.457 201 A N 1.329 124.218 122.820 0.114 0.000 1.902 201 A HA 0.010 4.330 4.320 0.000 0.000 0.217 201 A C 2.148 179.810 177.584 0.130 0.000 1.181 201 A CA 1.567 53.677 52.037 0.122 0.000 0.623 201 A CB -0.775 18.278 19.000 0.088 0.000 0.818 201 A HN 0.647 nan 8.150 nan 0.000 0.443 202 I N -0.429 120.203 120.570 0.103 0.000 2.202 202 I HA -0.244 3.926 4.170 0.000 0.000 0.242 202 I C 2.324 178.498 176.117 0.095 0.000 1.091 202 I CA 1.109 62.460 61.300 0.084 0.000 1.368 202 I CB -0.366 37.676 38.000 0.070 0.000 1.058 202 I HN 0.274 nan 8.210 nan 0.000 0.410 203 L N -0.244 121.049 121.223 0.117 0.000 2.131 203 L HA -0.246 4.094 4.340 0.000 0.000 0.210 203 L C 2.715 179.678 176.870 0.155 0.000 1.092 203 L CA 1.294 56.210 54.840 0.126 0.000 0.759 203 L CB -0.855 41.283 42.059 0.132 0.000 0.903 203 L HN 0.416 nan 8.230 nan 0.000 0.435 204 H N 0.348 119.467 119.070 0.081 0.000 2.395 204 H HA -0.074 4.482 4.556 0.000 0.000 0.299 204 H C 2.377 177.747 175.328 0.070 0.000 1.070 204 H CA 1.250 57.347 56.048 0.082 0.000 1.356 204 H CB 0.336 30.143 29.762 0.075 0.000 1.401 204 H HN 0.272 nan 8.280 nan 0.000 0.524 205 I N 0.987 121.570 120.570 0.022 0.000 2.163 205 I HA -0.297 3.873 4.170 0.000 0.000 0.243 205 I C 2.504 178.578 176.117 -0.072 0.000 1.085 205 I CA 1.385 62.660 61.300 -0.042 0.000 1.347 205 I CB -0.121 37.890 38.000 0.017 0.000 1.044 205 I HN 0.223 nan 8.210 nan 0.000 0.408 206 K N 0.308 120.702 120.400 -0.011 0.000 2.057 206 K HA -0.251 4.069 4.320 0.000 0.000 0.207 206 K C 2.052 178.679 176.600 0.044 0.000 1.049 206 K CA 1.686 57.979 56.287 0.011 0.000 0.931 206 K CB -0.194 32.347 32.500 0.070 0.000 0.714 206 K HN 0.312 nan 8.250 nan 0.000 0.440 207 E N 0.490 120.732 120.200 0.071 0.000 2.106 207 E HA -0.136 4.214 4.350 0.000 0.000 0.192 207 E C 1.486 178.126 176.600 0.068 0.000 0.984 207 E CA 1.394 57.891 56.400 0.162 0.000 0.806 207 E CB 0.110 29.882 29.700 0.120 0.000 0.750 207 E HN 0.116 nan 8.360 nan 0.000 0.458 208 T N 1.155 115.618 114.554 -0.151 0.000 2.897 208 T HA -0.094 4.256 4.350 0.000 0.000 0.271 208 T C 1.405 176.033 174.700 -0.120 0.000 1.084 208 T CA 0.869 62.864 62.100 -0.176 0.000 1.123 208 T CB -0.039 68.646 68.868 -0.305 0.000 0.865 208 T HN 0.085 nan 8.240 nan 0.000 0.496 209 K N 0.730 121.010 120.400 -0.200 0.000 2.362 209 K HA -0.006 4.314 4.320 0.000 0.000 0.200 209 K C 0.883 177.257 176.600 -0.377 0.000 1.046 209 K CA 0.891 56.986 56.287 -0.320 0.000 0.952 209 K CB -0.282 31.937 32.500 -0.468 0.000 0.753 209 K HN 0.532 nan 8.250 nan 0.000 0.466 210 Y N 0.105 120.416 120.300 0.018 0.000 2.468 210 Y HA 0.093 4.643 4.550 0.000 0.000 0.268 210 Y C 0.667 176.629 175.900 0.102 0.000 1.177 210 Y CA -0.628 57.510 58.100 0.063 0.000 1.265 210 Y CB 0.160 38.659 38.460 0.065 0.000 1.103 210 Y HN -0.342 nan 8.280 nan 0.000 0.522 211 V N 1.315 121.315 119.914 0.145 0.000 2.637 211 V HA 0.112 4.232 4.120 0.000 0.000 0.296 211 V C 0.061 176.238 176.094 0.138 0.000 1.046 211 V CA -0.312 62.071 62.300 0.139 0.000 1.066 211 V CB 1.199 33.058 31.823 0.059 0.000 0.968 211 V HN -0.103 nan 8.190 nan 0.000 0.483 212 V N 4.295 124.318 119.914 0.181 0.000 2.419 212 V HA 0.222 4.342 4.120 0.000 0.000 0.287 212 V C 0.194 176.334 176.094 0.076 0.000 1.017 212 V CA -0.600 61.764 62.300 0.106 0.000 0.844 212 V CB 1.765 33.631 31.823 0.072 0.000 1.011 212 V HN 0.954 nan 8.190 nan 0.000 0.429 213 T N 3.616 118.191 114.554 0.035 0.000 2.908 213 T HA 0.369 4.720 4.350 0.000 0.000 0.301 213 T C 1.366 176.070 174.700 0.007 0.000 1.019 213 T CA 1.375 63.485 62.100 0.017 0.000 1.152 213 T CB 0.702 69.568 68.868 -0.003 0.000 0.966 213 T HN 1.443 nan 8.240 nan 0.000 0.540 214 G N 2.783 111.590 108.800 0.011 0.000 2.205 214 G HA2 -0.285 3.675 3.960 0.000 0.000 0.261 214 G HA3 -0.285 3.675 3.960 0.000 0.000 0.261 214 G C 0.193 175.090 174.900 -0.006 0.000 0.980 214 G CA 0.473 45.574 45.100 0.001 0.000 0.632 214 G HN 0.771 nan 8.290 nan 0.000 0.533 215 K N 1.324 121.720 120.400 -0.007 0.000 2.316 215 K HA 0.281 4.601 4.320 0.000 0.000 0.289 215 K C 0.295 176.903 176.600 0.014 0.000 1.070 215 K CA -0.654 55.592 56.287 -0.068 0.000 0.928 215 K CB 0.089 32.463 32.500 -0.210 0.000 1.039 215 K HN 0.223 nan 8.250 nan 0.000 0.480 216 N N 4.206 122.904 118.700 -0.003 0.000 2.415 216 N HA 0.140 4.880 4.740 0.000 0.000 0.248 216 N C -2.503 173.097 175.510 0.149 0.000 1.271 216 N CA -1.289 51.798 53.050 0.061 0.000 0.913 216 N CB 0.393 38.895 38.487 0.024 0.000 1.129 216 N HN 0.414 nan 8.380 nan 0.000 0.444 217 P HA 0.049 nan 4.420 nan 0.000 0.268 217 P C -0.423 176.992 177.300 0.191 0.000 1.205 217 P CA 0.172 63.410 63.100 0.230 0.000 0.771 217 P CB 0.552 32.312 31.700 0.101 0.000 0.858 218 Q N 1.995 121.959 119.800 0.274 0.000 2.307 218 Q HA 0.200 4.540 4.340 0.000 0.000 0.262 218 Q C -0.091 175.954 176.000 0.074 0.000 0.961 218 Q CA -0.454 55.449 55.803 0.167 0.000 0.882 218 Q CB 1.673 30.557 28.738 0.243 0.000 1.264 218 Q HN 0.481 nan 8.270 nan 0.000 0.446 219 E N 2.779 122.999 120.200 0.033 0.000 2.398 219 E HA 0.248 4.598 4.350 0.000 0.000 0.263 219 E C -0.937 175.656 176.600 -0.012 0.000 1.046 219 E CA -0.117 56.283 56.400 0.000 0.000 0.908 219 E CB 0.633 30.331 29.700 -0.002 0.000 0.963 219 E HN 0.421 nan 8.360 nan 0.000 0.431 220 L N 3.731 124.930 121.223 -0.040 0.000 2.362 220 L HA 0.492 4.832 4.340 0.000 0.000 0.271 220 L C 0.019 176.856 176.870 -0.056 0.000 1.002 220 L CA -0.894 53.910 54.840 -0.060 0.000 0.818 220 L CB 1.820 43.815 42.059 -0.106 0.000 1.298 220 L HN 0.518 nan 8.230 nan 0.000 0.420 221 R N 2.211 122.680 120.500 -0.052 0.000 2.207 221 R HA 0.491 4.831 4.340 0.000 0.000 0.334 221 R C -1.250 175.022 176.300 -0.046 0.000 1.013 221 R CA -0.538 55.541 56.100 -0.035 0.000 0.858 221 R CB 1.275 31.562 30.300 -0.021 0.000 1.094 221 R HN 0.441 nan 8.270 nan 0.000 0.457 222 V N 4.925 124.826 119.914 -0.021 0.000 2.432 222 V HA 0.255 4.375 4.120 0.000 0.000 0.271 222 V C 1.010 177.143 176.094 0.065 0.000 1.046 222 V CA -0.398 61.910 62.300 0.014 0.000 0.945 222 V CB 0.827 32.684 31.823 0.058 0.000 0.992 222 V HN 0.977 nan 8.190 nan 0.000 0.471 223 A N 0.000 122.885 122.820 0.109 0.000 2.254 223 A HA 0.000 4.320 4.320 0.000 0.000 0.244 223 A CA 0.000 52.107 52.037 0.116 0.000 0.836 223 A CB 0.000 19.098 19.000 0.163 0.000 0.831 223 A HN 0.000 nan 8.150 nan 0.000 0.486