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 1tlf_1_D DATA FIRST_RESID 61 DATA SEQUENCE SLLIGVATSS LALHAPSQIV AAIKSRADQL GASVVVSMVE RSGVEACKAA DATA SEQUENCE VHNLLAQRVS GLIINYPLDD QDAIAVEAAC TNVPALFLDV SDQTPINSII DATA SEQUENCE FSHEDGTRLG VEHLVALGHQ QIALLAGPLS SVSARLRLAG WHKYLTRNQI DATA SEQUENCE QPIAEREGDW SAMSGFQQTM QMLNEGIVPT AMLVANDQMA LGAMRAITES DATA SEQUENCE GLRVGADISV VGYDDTEDSS CYIPPLTTIK QDFRLLGQTS VDRLLQLSQG DATA SEQUENCE QAVKGNQLLP VSLVKRKTTL APNTQTASPR ALADSLMQLA RQVSRL 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 61 S HA 0.000 nan 4.470 nan 0.000 0.327 61 S C 0.000 174.594 174.600 -0.009 0.000 1.055 61 S CA 0.000 58.195 58.200 -0.008 0.000 1.107 61 S CB 0.000 63.196 63.200 -0.007 0.000 0.593 62 L N 0.067 121.284 121.223 -0.010 0.000 2.456 62 L HA 0.194 nan 4.340 nan 0.000 0.246 62 L C -1.338 175.523 176.870 -0.014 0.000 1.238 62 L CA 0.407 55.240 54.840 -0.012 0.000 0.826 62 L CB 0.999 43.051 42.059 -0.011 0.000 1.150 62 L HN -0.392 7.833 8.230 -0.009 0.000 0.514 63 L N -1.431 119.782 121.223 -0.016 0.000 2.381 63 L HA 0.469 nan 4.340 nan 0.000 0.274 63 L C -1.476 175.380 176.870 -0.023 0.000 0.988 63 L CA -0.836 53.993 54.840 -0.019 0.000 0.824 63 L CB 2.681 44.727 42.059 -0.021 0.000 1.263 63 L HN -0.085 8.135 8.230 -0.017 0.000 0.410 64 I N 2.996 123.551 120.570 -0.024 0.000 2.362 64 I HA 0.454 nan 4.170 nan 0.000 0.289 64 I C -1.372 174.725 176.117 -0.034 0.000 0.994 64 I CA -1.391 59.892 61.300 -0.029 0.000 1.158 64 I CB 2.548 40.532 38.000 -0.026 0.000 1.315 64 I HN 0.863 8.953 8.210 -0.022 0.107 0.451 65 G N 6.110 114.885 108.800 -0.043 0.000 2.368 65 G HA2 0.548 nan 3.960 nan 0.000 0.320 65 G HA3 0.548 nan 3.960 nan 0.000 0.320 65 G C -2.347 172.518 174.900 -0.058 0.000 1.158 65 G CA -1.540 43.532 45.100 -0.047 0.000 0.912 65 G HN 0.632 8.895 8.290 -0.046 0.000 0.456 66 V N 3.786 123.667 119.914 -0.054 0.000 2.417 66 V HA 0.698 nan 4.120 nan 0.000 0.291 66 V C -1.714 174.344 176.094 -0.061 0.000 1.024 66 V CA -2.230 60.035 62.300 -0.060 0.000 0.861 66 V CB 1.907 33.702 31.823 -0.046 0.000 0.985 66 V HN 0.095 8.257 8.190 -0.046 0.000 0.436 67 A N 7.930 130.708 122.820 -0.071 0.000 2.256 67 A HA 0.732 nan 4.320 nan 0.000 0.317 67 A C -2.314 175.248 177.584 -0.036 0.000 1.318 67 A CA -1.801 50.194 52.037 -0.071 0.000 0.894 67 A CB 1.513 20.460 19.000 -0.088 0.000 1.165 67 A HN 0.888 8.987 8.150 -0.085 0.000 0.525 68 T N 4.189 118.724 114.554 -0.032 0.000 2.907 68 T HA 0.642 nan 4.350 nan 0.000 0.292 68 T C -0.747 173.979 174.700 0.044 0.000 1.043 68 T CA -1.749 60.357 62.100 0.010 0.000 1.003 68 T CB 2.302 71.159 68.868 -0.018 0.000 1.084 68 T HN 0.042 8.250 8.240 -0.054 0.000 0.483 69 S N 5.060 120.834 115.700 0.123 0.000 2.641 69 S HA -0.018 nan 4.470 nan 0.000 0.251 69 S C -0.796 173.843 174.600 0.064 0.000 1.332 69 S CA 0.821 59.130 58.200 0.181 0.000 0.968 69 S CB 0.544 63.801 63.200 0.095 0.000 0.987 69 S HN -0.201 8.163 8.310 0.090 0.000 0.587 70 S N -0.012 115.728 115.700 0.067 0.000 2.515 70 S HA -0.081 nan 4.470 nan 0.000 0.285 70 S C 1.496 176.094 174.600 -0.003 0.000 1.265 70 S CA -0.119 58.100 58.200 0.031 0.000 1.079 70 S CB 0.059 63.286 63.200 0.045 0.000 0.877 70 S HN -0.012 8.362 8.310 0.108 0.000 0.493 71 L N 7.155 128.376 121.223 -0.003 0.000 2.622 71 L HA -0.171 nan 4.340 nan 0.000 0.233 71 L C 0.431 177.306 176.870 0.008 0.000 1.156 71 L CA 1.162 55.998 54.840 -0.007 0.000 0.866 71 L CB -0.787 41.272 42.059 -0.000 0.000 0.980 71 L HN 0.607 8.838 8.230 0.003 0.000 0.448 72 A N -1.565 121.258 122.820 0.006 0.000 2.067 72 A HA -0.181 nan 4.320 nan 0.000 0.219 72 A C 0.240 177.793 177.584 -0.052 0.000 1.158 72 A CA 1.495 53.541 52.037 0.015 0.000 0.661 72 A CB 0.026 19.037 19.000 0.019 0.000 0.801 72 A HN -0.561 7.511 8.150 0.006 0.082 0.452 73 L N -2.892 118.260 121.223 -0.117 0.000 2.307 73 L HA 0.143 nan 4.340 nan 0.000 0.282 73 L C 0.927 177.648 176.870 -0.249 0.000 1.051 73 L CA -0.855 53.812 54.840 -0.287 0.000 0.804 73 L CB 0.629 42.568 42.059 -0.201 0.000 1.197 73 L HN -0.812 7.329 8.230 -0.073 0.045 0.431 74 H N 3.597 122.657 119.070 -0.018 0.000 2.421 74 H HA -0.346 nan 4.556 nan 0.000 0.298 74 H C 1.684 176.948 175.328 -0.107 0.000 1.087 74 H CA 2.900 58.931 56.048 -0.028 0.000 1.330 74 H CB -0.597 29.184 29.762 0.032 0.000 1.388 74 H HN 0.213 8.155 8.280 -1.057 -0.296 0.526 75 A N -0.424 122.312 122.820 -0.139 0.000 1.877 75 A HA -0.115 nan 4.320 nan 0.000 0.216 75 A C -0.889 176.406 177.584 -0.481 0.000 1.186 75 A CA 4.160 55.916 52.037 -0.468 0.000 0.620 75 A CB -2.402 16.273 19.000 -0.543 0.000 0.822 75 A HN 0.584 8.642 8.150 -0.152 0.000 0.443 76 P HA -0.326 nan 4.420 nan 0.000 0.215 76 P C 1.883 179.095 177.300 -0.147 0.000 1.163 76 P CA 3.527 66.498 63.100 -0.214 0.000 0.894 76 P CB -0.374 31.238 31.700 -0.147 0.000 0.791 77 S N -3.222 112.426 115.700 -0.087 0.000 2.419 77 S HA -0.325 nan 4.470 nan 0.000 0.233 77 S C 2.441 177.019 174.600 -0.036 0.000 1.016 77 S CA 3.082 61.262 58.200 -0.033 0.000 0.974 77 S CB -0.268 62.947 63.200 0.025 0.000 0.786 77 S HN -0.489 7.777 8.310 -0.072 0.000 0.492 78 Q N 1.393 121.150 119.800 -0.071 0.000 2.269 78 Q HA -0.175 nan 4.340 nan 0.000 0.201 78 Q C 2.301 178.282 176.000 -0.030 0.000 0.946 78 Q CA 2.526 58.317 55.803 -0.019 0.000 0.877 78 Q CB 0.238 29.013 28.738 0.061 0.000 0.963 78 Q HN -0.606 7.457 8.270 -0.123 0.133 0.472 79 I N 0.949 121.426 120.570 -0.155 0.000 2.162 79 I HA -0.442 nan 4.170 nan 0.000 0.238 79 I C 1.490 177.589 176.117 -0.031 0.000 1.076 79 I CA 4.567 65.814 61.300 -0.089 0.000 1.353 79 I CB 0.014 37.910 38.000 -0.173 0.000 1.063 79 I HN 0.111 8.166 8.210 -0.259 0.000 0.408 80 V N -0.692 119.192 119.914 -0.051 0.000 2.324 80 V HA -0.515 nan 4.120 nan 0.000 0.250 80 V C 1.828 177.916 176.094 -0.010 0.000 1.060 80 V CA 4.702 66.985 62.300 -0.029 0.000 1.042 80 V CB -1.388 30.415 31.823 -0.034 0.000 0.650 80 V HN -0.085 8.055 8.190 -0.083 0.000 0.450 81 A N -2.354 120.464 122.820 -0.003 0.000 1.933 81 A HA -0.282 nan 4.320 nan 0.000 0.218 81 A C 1.676 179.272 177.584 0.020 0.000 1.175 81 A CA 3.302 55.345 52.037 0.010 0.000 0.628 81 A CB -0.945 18.065 19.000 0.016 0.000 0.814 81 A HN -0.314 7.829 8.150 -0.011 0.000 0.444 82 A N -0.795 122.046 122.820 0.034 0.000 1.929 82 A HA -0.223 nan 4.320 nan 0.000 0.216 82 A C 2.049 179.651 177.584 0.031 0.000 1.176 82 A CA 2.613 54.679 52.037 0.049 0.000 0.628 82 A CB -0.806 18.247 19.000 0.090 0.000 0.816 82 A HN -0.637 7.424 8.150 0.034 0.109 0.444 83 I N -1.056 119.526 120.570 0.019 0.000 2.163 83 I HA -0.587 nan 4.170 nan 0.000 0.243 83 I C 1.778 177.897 176.117 0.003 0.000 1.085 83 I CA 4.205 65.509 61.300 0.006 0.000 1.347 83 I CB -0.139 37.857 38.000 -0.006 0.000 1.044 83 I HN 0.379 8.527 8.210 0.018 0.073 0.408 84 K N -0.682 119.719 120.400 0.002 0.000 2.057 84 K HA -0.354 nan 4.320 nan 0.000 0.207 84 K C 2.599 179.202 176.600 0.004 0.000 1.049 84 K CA 2.888 59.175 56.287 0.000 0.000 0.931 84 K CB -0.654 31.846 32.500 -0.000 0.000 0.714 84 K HN -0.105 8.076 8.250 0.003 0.071 0.440 85 S N -1.001 114.705 115.700 0.010 0.000 2.368 85 S HA -0.252 nan 4.470 nan 0.000 0.224 85 S C 2.309 176.915 174.600 0.009 0.000 1.029 85 S CA 3.295 61.502 58.200 0.011 0.000 0.988 85 S CB -0.226 62.984 63.200 0.017 0.000 0.838 85 S HN -0.390 7.835 8.310 0.013 0.093 0.462 86 R N 1.607 122.113 120.500 0.010 0.000 2.075 86 R HA -0.252 nan 4.340 nan 0.000 0.232 86 R C 1.873 178.175 176.300 0.003 0.000 1.126 86 R CA 2.694 58.798 56.100 0.008 0.000 0.963 86 R CB -0.348 29.958 30.300 0.009 0.000 0.858 86 R HN -0.518 7.760 8.270 0.013 0.000 0.435 87 A N -1.283 121.538 122.820 0.001 0.000 1.908 87 A HA -0.311 nan 4.320 nan 0.000 0.218 87 A C 2.244 179.827 177.584 -0.002 0.000 1.181 87 A CA 3.053 55.088 52.037 -0.003 0.000 0.627 87 A CB -1.026 17.971 19.000 -0.006 0.000 0.818 87 A HN -0.319 7.832 8.150 0.002 0.000 0.445 88 D N -1.575 118.825 120.400 -0.001 0.000 2.116 88 D HA -0.317 nan 4.640 nan 0.000 0.193 88 D C 3.160 179.460 176.300 -0.000 0.000 0.998 88 D CA 3.293 57.293 54.000 -0.000 0.000 0.836 88 D CB -0.212 40.589 40.800 0.001 0.000 0.951 88 D HN -0.006 8.288 8.370 0.001 0.076 0.449 89 Q N -2.155 117.645 119.800 0.001 0.000 2.369 89 Q HA -0.138 nan 4.340 nan 0.000 0.206 89 Q C 1.100 177.100 176.000 -0.000 0.000 0.963 89 Q CA 2.290 58.094 55.803 0.001 0.000 0.894 89 Q CB -0.012 28.727 28.738 0.003 0.000 0.965 89 Q HN -0.457 7.814 8.270 0.002 0.000 0.475 90 L N -3.311 117.911 121.223 -0.001 0.000 2.818 90 L HA 0.392 nan 4.340 nan 0.000 0.243 90 L C -0.068 176.801 176.870 -0.003 0.000 1.185 90 L CA -1.033 53.806 54.840 -0.002 0.000 0.988 90 L CB -0.485 41.572 42.059 -0.002 0.000 1.292 90 L HN -0.690 7.384 8.230 -0.001 0.156 0.519 91 G N -1.637 107.162 108.800 -0.003 0.000 2.180 91 G HA2 -0.435 nan 3.960 nan 0.000 0.263 91 G HA3 -0.435 nan 3.960 nan 0.000 0.263 91 G C -0.519 174.378 174.900 -0.005 0.000 0.989 91 G CA 0.684 45.782 45.100 -0.004 0.000 0.692 91 G HN -0.480 7.637 8.290 -0.002 0.172 0.526 92 A N -0.267 122.549 122.820 -0.006 0.000 2.267 92 A HA 0.344 nan 4.320 nan 0.000 0.271 92 A C -1.434 176.144 177.584 -0.009 0.000 1.131 92 A CA -0.401 51.631 52.037 -0.008 0.000 0.818 92 A CB 1.494 20.489 19.000 -0.009 0.000 1.118 92 A HN -0.428 7.666 8.150 -0.005 0.053 0.501 93 S N -1.422 114.271 115.700 -0.011 0.000 2.536 93 S HA 0.318 nan 4.470 nan 0.000 0.298 93 S C -1.715 172.877 174.600 -0.015 0.000 1.083 93 S CA -1.277 56.916 58.200 -0.012 0.000 0.995 93 S CB 2.466 65.659 63.200 -0.013 0.000 1.058 93 S HN -0.285 8.018 8.310 -0.012 0.000 0.488 94 V N 2.121 122.026 119.914 -0.015 0.000 2.588 94 V HA 0.644 nan 4.120 nan 0.000 0.304 94 V C -1.258 174.825 176.094 -0.018 0.000 1.042 94 V CA -0.632 61.657 62.300 -0.018 0.000 0.877 94 V CB 1.935 33.749 31.823 -0.015 0.000 0.996 94 V HN 0.161 8.343 8.190 -0.013 0.000 0.425 95 V N 8.705 128.605 119.914 -0.023 0.000 2.482 95 V HA 0.441 nan 4.120 nan 0.000 0.295 95 V C -1.890 174.187 176.094 -0.028 0.000 1.026 95 V CA -0.577 61.709 62.300 -0.023 0.000 0.856 95 V CB 3.160 34.968 31.823 -0.023 0.000 1.001 95 V HN 0.726 8.900 8.190 -0.026 0.000 0.424 96 V N 8.401 128.299 119.914 -0.026 0.000 2.472 96 V HA 0.604 nan 4.120 nan 0.000 0.290 96 V C -0.970 175.105 176.094 -0.032 0.000 1.037 96 V CA -1.433 60.849 62.300 -0.030 0.000 0.908 96 V CB 1.470 33.277 31.823 -0.027 0.000 0.985 96 V HN 0.199 8.376 8.190 -0.022 0.000 0.454 97 S N 4.563 120.240 115.700 -0.040 0.000 2.566 97 S HA 0.493 nan 4.470 nan 0.000 0.298 97 S C -1.929 172.638 174.600 -0.055 0.000 1.083 97 S CA -1.300 56.874 58.200 -0.044 0.000 0.978 97 S CB 2.279 65.451 63.200 -0.046 0.000 1.073 97 S HN 0.552 8.836 8.310 -0.044 0.000 0.491 98 M N 4.006 123.571 119.600 -0.059 0.000 2.383 98 M HA 0.567 nan 4.480 nan 0.000 0.325 98 M C -0.981 175.253 176.300 -0.109 0.000 1.092 98 M CA -1.027 54.231 55.300 -0.069 0.000 0.961 98 M CB 2.560 35.136 32.600 -0.041 0.000 1.672 98 M HN -0.047 8.212 8.290 -0.051 0.000 0.438 99 V N 3.593 123.402 119.914 -0.176 0.000 2.532 99 V HA 0.145 nan 4.120 nan 0.000 0.295 99 V C -0.689 175.287 176.094 -0.196 0.000 1.041 99 V CA -1.753 60.366 62.300 -0.301 0.000 0.926 99 V CB 1.199 32.579 31.823 -0.738 0.000 0.992 99 V HN 0.198 8.298 8.190 -0.150 0.000 0.457 100 E N 4.204 124.319 120.200 -0.141 0.000 2.316 100 E HA -0.019 nan 4.350 nan 0.000 0.275 100 E C -0.047 176.588 176.600 0.058 0.000 1.029 100 E CA -0.646 55.739 56.400 -0.025 0.000 0.871 100 E CB 0.466 30.156 29.700 -0.017 0.000 1.022 100 E HN 0.255 8.512 8.360 -0.172 0.000 0.418 101 R N 5.112 125.704 120.500 0.153 0.000 2.808 101 R HA -0.150 nan 4.340 nan 0.000 0.248 101 R C -0.027 176.392 176.300 0.197 0.000 1.539 101 R CA 0.936 57.193 56.100 0.260 0.000 1.071 101 R CB -1.916 28.496 30.300 0.187 0.000 1.172 101 R HN 0.479 8.817 8.270 0.114 0.000 0.579 102 S N 1.117 116.966 115.700 0.248 0.000 2.658 102 S HA 0.156 nan 4.470 nan 0.000 0.277 102 S C -0.369 174.343 174.600 0.187 0.000 1.078 102 S CA 0.164 58.456 58.200 0.153 0.000 1.124 102 S CB 3.378 66.628 63.200 0.084 0.000 1.016 102 S HN 0.528 9.044 8.310 0.377 0.020 0.543 103 G N 0.002 109.009 108.800 0.346 0.000 2.566 103 G HA2 -0.231 nan 3.960 nan 0.000 0.599 103 G HA3 -0.231 nan 3.960 nan 0.000 0.599 103 G C -0.066 174.977 174.900 0.237 0.000 1.292 103 G CA -0.713 44.597 45.100 0.350 0.000 0.922 103 G HN -0.449 8.133 8.290 0.486 0.000 0.514 104 V N -1.009 119.021 119.914 0.194 0.000 2.408 104 V HA -0.590 nan 4.120 nan 0.000 0.236 104 V C 1.916 178.048 176.094 0.063 0.000 1.064 104 V CA 3.419 65.791 62.300 0.120 0.000 1.095 104 V CB -0.753 31.115 31.823 0.075 0.000 0.921 104 V HN 0.589 8.896 8.190 0.195 0.000 0.474 105 E N 0.795 121.017 120.200 0.037 0.000 2.031 105 E HA -0.394 nan 4.350 nan 0.000 0.193 105 E C 1.929 178.515 176.600 -0.024 0.000 0.994 105 E CA 2.529 58.928 56.400 -0.001 0.000 0.800 105 E CB -1.085 28.614 29.700 -0.002 0.000 0.752 105 E HN -0.145 8.236 8.360 0.048 0.008 0.447 106 A N -0.682 122.124 122.820 -0.023 0.000 1.908 106 A HA -0.213 nan 4.320 nan 0.000 0.218 106 A C 2.347 179.831 177.584 -0.167 0.000 1.181 106 A CA 3.189 55.175 52.037 -0.084 0.000 0.627 106 A CB -0.825 18.128 19.000 -0.079 0.000 0.818 106 A HN 0.267 8.425 8.150 0.013 0.000 0.445 107 C N -2.079 117.124 119.300 -0.162 0.000 2.457 107 C HA -0.228 nan 4.460 nan 0.000 0.278 107 C C 1.895 176.848 174.990 -0.062 0.000 1.309 107 C CA 3.053 61.961 59.018 -0.184 0.000 1.735 107 C CB -1.599 26.155 27.740 0.024 0.000 1.992 107 C HN -0.400 7.607 8.230 -0.055 0.190 0.493 108 K N -0.135 120.252 120.400 -0.023 0.000 2.026 108 K HA -0.403 nan 4.320 nan 0.000 0.208 108 K C 2.048 178.627 176.600 -0.035 0.000 1.048 108 K CA 3.564 59.840 56.287 -0.018 0.000 0.929 108 K CB -0.227 32.251 32.500 -0.037 0.000 0.713 108 K HN 0.318 8.321 8.250 -0.019 0.236 0.439 109 A N -1.463 121.324 122.820 -0.055 0.000 1.884 109 A HA -0.332 nan 4.320 nan 0.000 0.219 109 A C 1.855 179.443 177.584 0.008 0.000 1.197 109 A CA 3.210 55.227 52.037 -0.032 0.000 0.637 109 A CB -0.981 17.992 19.000 -0.044 0.000 0.827 109 A HN 0.303 8.416 8.150 -0.062 0.000 0.450 110 A N -3.048 119.748 122.820 -0.039 0.000 1.908 110 A HA -0.320 nan 4.320 nan 0.000 0.218 110 A C 2.139 179.717 177.584 -0.011 0.000 1.181 110 A CA 3.129 55.139 52.037 -0.044 0.000 0.627 110 A CB -0.602 18.336 19.000 -0.103 0.000 0.818 110 A HN -0.584 7.520 8.150 -0.076 0.000 0.445 111 V N -0.909 119.006 119.914 0.001 0.000 2.287 111 V HA -0.573 nan 4.120 nan 0.000 0.248 111 V C 1.806 177.945 176.094 0.076 0.000 1.053 111 V CA 4.800 67.112 62.300 0.020 0.000 1.027 111 V CB -1.418 30.424 31.823 0.032 0.000 0.646 111 V HN -0.292 7.814 8.190 -0.013 0.075 0.447 112 H N 0.499 119.552 119.070 -0.029 0.000 2.265 112 H HA -0.512 nan 4.556 nan 0.000 0.295 112 H C 2.072 177.385 175.328 -0.025 0.000 1.084 112 H CA 3.879 59.914 56.048 -0.022 0.000 1.261 112 H CB 0.109 29.861 29.762 -0.018 0.000 1.360 112 H HN 0.257 8.570 8.280 0.173 0.071 0.487 113 N N -0.850 117.892 118.700 0.070 0.000 2.192 113 N HA -0.316 nan 4.740 nan 0.000 0.188 113 N C 1.979 177.472 175.510 -0.027 0.000 1.013 113 N CA 2.660 55.712 53.050 0.003 0.000 0.863 113 N CB -0.547 37.942 38.487 0.004 0.000 0.990 113 N HN -0.126 8.321 8.380 0.112 0.000 0.430 114 L N -1.920 119.288 121.223 -0.025 0.000 2.095 114 L HA -0.192 nan 4.340 nan 0.000 0.204 114 L C 1.787 178.628 176.870 -0.047 0.000 1.080 114 L CA 2.702 57.520 54.840 -0.036 0.000 0.759 114 L CB 0.186 42.223 42.059 -0.037 0.000 0.914 114 L HN -0.546 7.558 8.230 -0.008 0.121 0.439 115 L N -0.996 120.194 121.223 -0.056 0.000 2.079 115 L HA -0.394 nan 4.340 nan 0.000 0.210 115 L C 1.693 178.505 176.870 -0.096 0.000 1.081 115 L CA 2.874 57.669 54.840 -0.075 0.000 0.752 115 L CB -0.433 41.572 42.059 -0.091 0.000 0.896 115 L HN 0.044 8.176 8.230 -0.040 0.074 0.433 116 A N -4.010 118.740 122.820 -0.116 0.000 2.236 116 A HA -0.125 nan 4.320 nan 0.000 0.214 116 A C -0.056 177.490 177.584 -0.064 0.000 1.287 116 A CA 1.106 53.081 52.037 -0.103 0.000 0.909 116 A CB -1.089 17.844 19.000 -0.112 0.000 0.839 116 A HN -0.231 7.834 8.150 -0.121 0.012 0.486 117 Q N -2.859 116.909 119.800 -0.053 0.000 2.275 117 Q HA 0.155 nan 4.340 nan 0.000 0.314 117 Q C -0.539 175.441 176.000 -0.035 0.000 0.851 117 Q CA -0.803 54.977 55.803 -0.039 0.000 1.083 117 Q CB 0.763 29.481 28.738 -0.034 0.000 1.341 117 Q HN -0.249 7.793 8.270 -0.057 0.193 0.402 118 R N -1.302 119.177 120.500 -0.037 0.000 1.300 118 R HA -0.475 nan 4.340 nan 0.000 0.029 118 R C -1.161 175.121 176.300 -0.031 0.000 0.959 118 R CA 2.034 58.116 56.100 -0.031 0.000 1.961 118 R CB -1.134 29.151 30.300 -0.025 0.000 0.177 118 R HN -0.274 7.970 8.270 -0.042 0.000 0.727 119 V N 1.086 120.982 119.914 -0.029 0.000 4.511 119 V HA -0.319 nan 4.120 nan 0.000 0.437 119 V C 0.119 176.197 176.094 -0.027 0.000 0.684 119 V CA 0.873 63.155 62.300 -0.030 0.000 1.739 119 V CB -0.688 31.114 31.823 -0.036 0.000 2.089 119 V HN 0.331 8.463 8.190 -0.028 0.041 0.487 120 S N 4.486 120.172 115.700 -0.023 0.000 2.402 120 S HA -0.201 nan 4.470 nan 0.000 0.233 120 S C -0.032 174.555 174.600 -0.021 0.000 1.030 120 S CA 2.284 60.472 58.200 -0.020 0.000 1.003 120 S CB 0.723 63.912 63.200 -0.017 0.000 0.813 120 S HN 0.631 8.831 8.310 -0.023 0.096 0.477 121 G N -2.823 105.960 108.800 -0.028 0.000 2.547 121 G HA2 0.245 nan 3.960 nan 0.000 0.291 121 G HA3 0.245 nan 3.960 nan 0.000 0.291 121 G C -3.277 171.592 174.900 -0.052 0.000 1.471 121 G CA 0.425 45.504 45.100 -0.035 0.000 0.798 121 G HN -0.903 7.345 8.290 -0.031 0.024 0.504 122 L N 0.030 121.209 121.223 -0.073 0.000 2.334 122 L HA 0.954 nan 4.340 nan 0.000 0.273 122 L C -1.053 175.732 176.870 -0.142 0.000 1.013 122 L CA -0.975 53.801 54.840 -0.105 0.000 0.816 122 L CB 3.204 45.187 42.059 -0.127 0.000 1.278 122 L HN 0.556 8.743 8.230 -0.072 0.000 0.431 123 I N 1.601 122.089 120.570 -0.136 0.000 2.406 123 I HA 0.403 nan 4.170 nan 0.000 0.290 123 I C -1.473 174.540 176.117 -0.174 0.000 0.999 123 I CA -0.621 60.593 61.300 -0.143 0.000 1.124 123 I CB 2.526 40.476 38.000 -0.083 0.000 1.289 123 I HN 0.936 8.974 8.210 -0.113 0.104 0.441 124 I N 7.295 127.711 120.570 -0.256 0.000 2.460 124 I HA 0.179 nan 4.170 nan 0.000 0.277 124 I C -1.512 174.570 176.117 -0.057 0.000 1.057 124 I CA -0.860 60.311 61.300 -0.215 0.000 1.179 124 I CB 0.507 38.227 38.000 -0.466 0.000 1.329 124 I HN 0.381 8.408 8.210 -0.305 0.000 0.478 125 N N 8.724 127.424 118.700 -0.001 0.000 3.298 125 N HA 0.090 nan 4.740 nan 0.000 0.292 125 N C -2.220 173.362 175.510 0.120 0.000 1.271 125 N CA -1.033 52.038 53.050 0.034 0.000 1.184 125 N CB 0.382 38.862 38.487 -0.011 0.000 1.452 125 N HN 0.195 8.562 8.380 -0.021 0.000 0.534 126 Y N 3.343 123.647 120.300 0.007 0.000 2.386 126 Y HA 0.223 nan 4.550 nan 0.000 0.334 126 Y C -2.991 172.948 175.900 0.064 0.000 1.002 126 Y CA -3.478 54.635 58.100 0.023 0.000 1.068 126 Y CB 3.151 41.627 38.460 0.026 0.000 1.203 126 Y HN -0.660 7.689 8.280 0.197 0.050 0.443 127 P HA 0.087 nan 4.420 nan 0.000 0.267 127 P C -1.870 175.256 177.300 -0.290 0.000 1.209 127 P CA 0.059 62.971 63.100 -0.314 0.000 0.763 127 P CB 0.273 31.807 31.700 -0.278 0.000 0.816 128 L N 4.959 126.137 121.223 -0.076 0.000 2.410 128 L HA 0.191 nan 4.340 nan 0.000 0.270 128 L C -1.141 175.702 176.870 -0.046 0.000 0.983 128 L CA -1.167 53.663 54.840 -0.017 0.000 0.822 128 L CB 3.398 45.515 42.059 0.097 0.000 1.285 128 L HN -0.071 8.138 8.230 -0.035 0.000 0.409 129 D N 2.918 123.293 120.400 -0.041 0.000 2.423 129 D HA -0.162 nan 4.640 nan 0.000 0.238 129 D C 0.638 176.900 176.300 -0.063 0.000 1.142 129 D CA 0.278 54.249 54.000 -0.048 0.000 0.884 129 D CB 1.202 41.983 40.800 -0.032 0.000 1.199 129 D HN 0.255 8.609 8.370 -0.026 0.000 0.438 130 D N 2.602 122.959 120.400 -0.071 0.000 2.172 130 D HA -0.328 nan 4.640 nan 0.000 0.196 130 D C 2.385 178.634 176.300 -0.086 0.000 0.999 130 D CA 3.946 57.894 54.000 -0.088 0.000 0.856 130 D CB -0.170 40.588 40.800 -0.070 0.000 0.934 130 D HN 0.304 8.637 8.370 -0.063 0.000 0.453 131 Q N -2.034 117.732 119.800 -0.057 0.000 2.083 131 Q HA -0.194 nan 4.340 nan 0.000 0.198 131 Q C 1.973 177.950 176.000 -0.038 0.000 0.969 131 Q CA 3.025 58.802 55.803 -0.044 0.000 0.838 131 Q CB -0.117 28.604 28.738 -0.027 0.000 0.900 131 Q HN 0.256 8.473 8.270 -0.048 0.025 0.436 132 D N -0.625 119.760 120.400 -0.026 0.000 2.312 132 D HA -0.135 nan 4.640 nan 0.000 0.211 132 D C 1.697 177.996 176.300 -0.001 0.000 0.964 132 D CA 2.483 56.486 54.000 0.004 0.000 0.877 132 D CB -0.642 40.176 40.800 0.031 0.000 0.924 132 D HN -0.655 7.699 8.370 -0.028 0.000 0.515 133 A N 0.397 123.165 122.820 -0.086 0.000 1.898 133 A HA -0.148 nan 4.320 nan 0.000 0.214 133 A C 1.681 179.099 177.584 -0.277 0.000 1.183 133 A CA 3.059 54.946 52.037 -0.249 0.000 0.622 133 A CB -0.475 18.272 19.000 -0.423 0.000 0.824 133 A HN 0.076 8.022 8.150 -0.095 0.146 0.444 134 I N -0.603 119.858 120.570 -0.182 0.000 2.090 134 I HA -0.622 nan 4.170 nan 0.000 0.236 134 I C 1.495 177.597 176.117 -0.025 0.000 1.064 134 I CA 4.224 65.458 61.300 -0.110 0.000 1.324 134 I CB -0.204 37.750 38.000 -0.076 0.000 1.044 134 I HN -0.774 7.341 8.210 -0.158 0.000 0.399 135 A N -1.060 121.756 122.820 -0.007 0.000 1.927 135 A HA -0.382 nan 4.320 nan 0.000 0.220 135 A C 2.403 180.027 177.584 0.065 0.000 1.185 135 A CA 3.412 55.464 52.037 0.024 0.000 0.639 135 A CB -0.792 18.220 19.000 0.020 0.000 0.820 135 A HN -0.417 7.719 8.150 -0.024 0.000 0.451 136 V N -2.315 117.664 119.914 0.108 0.000 2.427 136 V HA -0.350 nan 4.120 nan 0.000 0.248 136 V C 2.623 178.882 176.094 0.275 0.000 1.051 136 V CA 3.755 66.175 62.300 0.199 0.000 1.048 136 V CB -0.713 31.302 31.823 0.320 0.000 0.666 136 V HN -0.323 7.735 8.190 0.081 0.181 0.456 137 E N 0.536 120.934 120.200 0.330 0.000 2.106 137 E HA -0.303 nan 4.350 nan 0.000 0.192 137 E C 2.200 178.902 176.600 0.169 0.000 0.984 137 E CA 2.998 59.613 56.400 0.357 0.000 0.806 137 E CB -0.018 29.848 29.700 0.276 0.000 0.750 137 E HN 0.207 8.496 8.360 0.201 0.192 0.458 138 A N -1.862 121.022 122.820 0.108 0.000 2.125 138 A HA -0.128 nan 4.320 nan 0.000 0.219 138 A C 0.871 178.497 177.584 0.071 0.000 1.156 138 A CA 2.331 54.410 52.037 0.070 0.000 0.671 138 A CB -0.629 18.398 19.000 0.045 0.000 0.794 138 A HN 0.339 8.538 8.150 0.096 0.009 0.459 139 A N -3.581 119.290 122.820 0.085 0.000 2.238 139 A HA 0.033 nan 4.320 nan 0.000 0.210 139 A C 0.724 178.364 177.584 0.092 0.000 1.179 139 A CA 1.263 53.349 52.037 0.082 0.000 0.827 139 A CB 0.224 19.266 19.000 0.070 0.000 0.856 139 A HN -0.327 7.714 8.150 0.105 0.172 0.488 140 C N -3.462 115.888 119.300 0.082 0.000 2.481 140 C HA 0.012 nan 4.460 nan 0.000 0.275 140 C C -0.284 174.733 174.990 0.045 0.000 1.419 140 C CA 0.291 59.343 59.018 0.056 0.000 1.773 140 C CB -1.528 26.238 27.740 0.043 0.000 1.862 140 C HN -0.391 7.736 8.230 0.096 0.161 0.530 141 T N 0.640 115.225 114.554 0.052 0.000 1.015 141 T HA -0.285 nan 4.350 nan 0.000 0.718 141 T C -0.965 173.750 174.700 0.025 0.000 0.983 141 T CA 0.773 62.897 62.100 0.039 0.000 3.802 141 T CB -1.688 67.204 68.868 0.041 0.000 2.145 141 T HN -0.294 7.931 8.240 0.062 0.053 0.371 142 N N -1.728 116.987 118.700 0.024 0.000 2.809 142 N HA -0.344 nan 4.740 nan 0.000 0.244 142 N C -1.394 174.123 175.510 0.012 0.000 1.018 142 N CA 0.963 54.023 53.050 0.017 0.000 0.917 142 N CB -1.153 37.340 38.487 0.011 0.000 1.130 142 N HN 0.433 8.831 8.380 0.029 0.000 0.591 143 V N 1.255 121.176 119.914 0.012 0.000 2.427 143 V HA 0.317 nan 4.120 nan 0.000 0.286 143 V C -1.810 174.288 176.094 0.006 0.000 1.034 143 V CA -2.835 59.466 62.300 0.002 0.000 0.893 143 V CB 0.769 32.588 31.823 -0.006 0.000 0.982 143 V HN -0.591 7.500 8.190 0.017 0.109 0.452 144 P HA 0.088 nan 4.420 nan 0.000 0.276 144 P C -2.160 175.130 177.300 -0.016 0.000 1.253 144 P CA -0.056 63.048 63.100 0.006 0.000 0.766 144 P CB 0.470 32.172 31.700 0.003 0.000 0.845 145 A N 4.339 127.155 122.820 -0.006 0.000 2.342 145 A HA 0.613 nan 4.320 nan 0.000 0.323 145 A C -2.549 175.005 177.584 -0.049 0.000 1.125 145 A CA -1.272 50.707 52.037 -0.096 0.000 0.785 145 A CB 2.653 21.554 19.000 -0.166 0.000 1.221 145 A HN 0.291 8.466 8.150 0.043 0.000 0.463 146 L N 1.514 122.652 121.223 -0.142 0.000 2.342 146 L HA 0.598 nan 4.340 nan 0.000 0.276 146 L C -2.041 174.771 176.870 -0.097 0.000 0.997 146 L CA -1.036 53.790 54.840 -0.023 0.000 0.838 146 L CB 2.955 45.000 42.059 -0.023 0.000 1.224 146 L HN -0.065 8.035 8.230 -0.216 0.000 0.416 147 F N 6.692 126.642 119.950 0.001 0.000 2.427 147 F HA 0.266 nan 4.527 nan 0.000 0.352 147 F C -0.209 175.587 175.800 -0.007 0.000 1.100 147 F CA 0.218 58.221 58.000 0.005 0.000 1.191 147 F CB 0.517 39.522 39.000 0.008 0.000 1.128 147 F HN 0.978 9.607 8.300 0.549 0.000 0.533 148 L N 1.609 122.906 121.223 0.123 0.000 2.693 148 L HA 0.131 nan 4.340 nan 0.000 0.235 148 L C -0.649 176.267 176.870 0.076 0.000 1.127 148 L CA 0.045 54.924 54.840 0.066 0.000 0.914 148 L CB 0.285 42.358 42.059 0.024 0.000 1.193 148 L HN -0.091 8.194 8.230 0.092 0.000 0.502 149 D N -0.896 119.564 120.400 0.101 0.000 2.472 149 D HA 0.130 nan 4.640 nan 0.000 0.248 149 D C -2.238 174.090 176.300 0.046 0.000 1.271 149 D CA -0.329 53.703 54.000 0.053 0.000 0.888 149 D CB 1.010 41.813 40.800 0.006 0.000 1.337 149 D HN -0.421 8.048 8.370 0.165 0.000 0.526 150 V N -4.364 115.565 119.914 0.025 0.000 3.203 150 V HA 0.660 nan 4.120 nan 0.000 0.305 150 V C -2.297 173.766 176.094 -0.050 0.000 1.361 150 V CA -3.339 58.947 62.300 -0.022 0.000 1.066 150 V CB 3.715 35.512 31.823 -0.043 0.000 1.085 150 V HN -0.714 7.493 8.190 0.028 0.000 0.456 151 S N 0.380 116.035 115.700 -0.075 0.000 2.603 151 S HA 0.095 nan 4.470 nan 0.000 0.268 151 S C 1.489 176.066 174.600 -0.038 0.000 1.317 151 S CA -0.655 57.495 58.200 -0.084 0.000 1.012 151 S CB 1.276 64.430 63.200 -0.077 0.000 0.926 151 S HN 0.041 8.303 8.310 -0.080 0.000 0.539 152 D N 3.201 123.602 120.400 0.003 0.000 2.363 152 D HA -0.126 nan 4.640 nan 0.000 0.226 152 D C 0.356 176.669 176.300 0.022 0.000 1.020 152 D CA 1.455 55.478 54.000 0.040 0.000 0.892 152 D CB -0.987 39.877 40.800 0.107 0.000 0.900 152 D HN 0.651 9.017 8.370 -0.006 0.000 0.531 153 Q N -3.293 116.508 119.800 0.003 0.000 2.282 153 Q HA 0.152 nan 4.340 nan 0.000 0.206 153 Q C 0.462 176.442 176.000 -0.032 0.000 0.878 153 Q CA -0.665 55.135 55.803 -0.006 0.000 0.944 153 Q CB 0.614 29.352 28.738 -0.001 0.000 1.100 153 Q HN -0.616 7.559 8.270 -0.008 0.090 0.509 154 T N 5.216 119.736 114.554 -0.057 0.000 2.817 154 T HA 0.329 nan 4.350 nan 0.000 0.293 154 T C -1.574 173.073 174.700 -0.089 0.000 0.964 154 T CA -1.497 60.548 62.100 -0.092 0.000 1.085 154 T CB -0.196 68.579 68.868 -0.155 0.000 0.921 154 T HN -0.619 7.589 8.240 -0.054 0.000 0.502 155 P HA 0.158 nan 4.420 nan 0.000 0.241 155 P C -1.760 175.493 177.300 -0.078 0.000 1.760 155 P CA 0.353 63.417 63.100 -0.060 0.000 1.081 155 P CB -1.744 29.928 31.700 -0.046 0.000 1.975 156 I N -3.509 117.012 120.570 -0.081 0.000 3.352 156 I HA 0.322 nan 4.170 nan 0.000 0.316 156 I C -2.175 173.958 176.117 0.027 0.000 1.214 156 I CA -2.866 58.396 61.300 -0.064 0.000 0.934 156 I CB 3.615 41.438 38.000 -0.294 0.000 1.310 156 I HN -0.352 7.782 8.210 -0.066 0.037 0.475 157 N N 1.847 120.623 118.700 0.126 0.000 2.415 157 N HA 0.185 nan 4.740 nan 0.000 0.246 157 N C -1.044 174.568 175.510 0.169 0.000 1.078 157 N CA 0.353 53.477 53.050 0.122 0.000 0.942 157 N CB 0.029 38.587 38.487 0.118 0.000 1.140 157 N HN 0.377 8.877 8.380 0.200 0.000 0.501 158 S N 2.364 118.123 115.700 0.099 0.000 2.599 158 S HA 0.898 nan 4.470 nan 0.000 0.294 158 S C -1.240 173.384 174.600 0.039 0.000 1.094 158 S CA -1.765 56.494 58.200 0.099 0.000 0.931 158 S CB 3.224 66.470 63.200 0.076 0.000 1.093 158 S HN -0.076 8.271 8.310 0.061 0.000 0.488 159 I N 1.457 122.037 120.570 0.017 0.000 2.542 159 I HA 0.438 nan 4.170 nan 0.000 0.278 159 I C -1.360 174.702 176.117 -0.091 0.000 1.069 159 I CA -0.108 61.161 61.300 -0.051 0.000 1.100 159 I CB 1.443 39.397 38.000 -0.077 0.000 1.204 159 I HN 0.048 8.283 8.210 0.042 0.000 0.470 160 I N 0.299 120.822 120.570 -0.078 0.000 2.689 160 I HA 0.525 nan 4.170 nan 0.000 0.299 160 I C -1.567 174.524 176.117 -0.043 0.000 1.059 160 I CA -2.097 59.173 61.300 -0.049 0.000 1.055 160 I CB 4.284 42.316 38.000 0.054 0.000 1.243 160 I HN 0.587 8.769 8.210 -0.048 0.000 0.425 161 F N 2.143 122.160 119.950 0.112 0.000 2.450 161 F HA 0.063 nan 4.527 nan 0.000 0.339 161 F C 0.280 176.167 175.800 0.145 0.000 1.146 161 F CA -0.067 58.002 58.000 0.115 0.000 1.267 161 F CB 0.484 39.563 39.000 0.132 0.000 1.178 161 F HN 0.090 8.544 8.300 0.256 0.000 0.585 162 S N 1.275 117.161 115.700 0.309 0.000 2.465 162 S HA -0.039 nan 4.470 nan 0.000 0.307 162 S C 1.145 175.872 174.600 0.212 0.000 1.187 162 S CA -0.442 57.876 58.200 0.196 0.000 1.141 162 S CB -0.106 63.149 63.200 0.092 0.000 1.108 162 S HN 0.214 8.709 8.310 0.309 0.000 0.525 163 H N 5.785 124.942 119.070 0.146 0.000 2.524 163 H HA -0.088 nan 4.556 nan 0.000 0.282 163 H C 1.773 177.162 175.328 0.102 0.000 1.016 163 H CA 1.877 58.002 56.048 0.129 0.000 1.270 163 H CB -0.134 29.655 29.762 0.044 0.000 1.394 163 H HN 0.260 8.827 8.280 0.479 0.000 0.568 164 E N -0.848 119.149 120.200 -0.338 0.000 2.107 164 E HA -0.230 nan 4.350 nan 0.000 0.191 164 E C 1.765 178.271 176.600 -0.157 0.000 0.982 164 E CA 2.709 58.993 56.400 -0.192 0.000 0.809 164 E CB -0.307 29.286 29.700 -0.178 0.000 0.756 164 E HN -0.250 7.805 8.360 -0.430 0.046 0.459 165 D N -0.732 119.606 120.400 -0.103 0.000 2.213 165 D HA -0.003 nan 4.640 nan 0.000 0.205 165 D C 2.238 178.480 176.300 -0.097 0.000 0.961 165 D CA 2.507 56.438 54.000 -0.115 0.000 0.853 165 D CB 0.201 40.968 40.800 -0.055 0.000 0.967 165 D HN -0.751 7.579 8.370 -0.065 0.000 0.496 166 G N -0.003 108.795 108.800 -0.002 0.000 2.453 166 G HA2 -0.349 nan 3.960 nan 0.000 0.215 166 G HA3 -0.349 nan 3.960 nan 0.000 0.215 166 G C 0.957 175.918 174.900 0.101 0.000 1.201 166 G CA 2.610 47.718 45.100 0.014 0.000 0.784 166 G HN -0.142 8.177 8.290 0.049 0.000 0.545 167 T N -0.040 114.623 114.554 0.181 0.000 2.833 167 T HA -0.306 nan 4.350 nan 0.000 0.269 167 T C 1.878 176.626 174.700 0.081 0.000 1.054 167 T CA 3.637 65.887 62.100 0.250 0.000 1.135 167 T CB -0.561 68.356 68.868 0.082 0.000 0.869 167 T HN -0.404 7.928 8.240 0.154 0.000 0.466 168 R N 2.247 122.521 120.500 -0.377 0.000 2.062 168 R HA -0.237 nan 4.340 nan 0.000 0.231 168 R C 1.767 177.947 176.300 -0.201 0.000 1.136 168 R CA 3.119 58.816 56.100 -0.672 0.000 0.948 168 R CB -0.164 29.485 30.300 -1.084 0.000 0.845 168 R HN -0.692 7.337 8.270 -0.402 0.000 0.430 169 L N -2.551 118.587 121.223 -0.141 0.000 2.127 169 L HA -0.361 nan 4.340 nan 0.000 0.211 169 L C 2.428 179.293 176.870 -0.008 0.000 1.089 169 L CA 2.580 57.380 54.840 -0.067 0.000 0.757 169 L CB -0.566 41.434 42.059 -0.097 0.000 0.899 169 L HN 0.112 8.130 8.230 -0.175 0.107 0.434 170 G N -0.981 107.840 108.800 0.034 0.000 2.434 170 G HA2 -0.307 nan 3.960 nan 0.000 0.214 170 G HA3 -0.307 nan 3.960 nan 0.000 0.214 170 G C 1.027 175.973 174.900 0.076 0.000 1.202 170 G CA 2.066 47.206 45.100 0.067 0.000 0.788 170 G HN -0.427 7.779 8.290 0.049 0.113 0.539 171 V N 2.645 122.622 119.914 0.105 0.000 2.295 171 V HA -0.505 nan 4.120 nan 0.000 0.246 171 V C 2.263 178.416 176.094 0.097 0.000 1.049 171 V CA 4.119 66.480 62.300 0.101 0.000 1.024 171 V CB -0.746 31.190 31.823 0.189 0.000 0.648 171 V HN -0.195 8.091 8.190 0.161 0.000 0.447 172 E N -2.358 117.895 120.200 0.089 0.000 2.153 172 E HA -0.439 nan 4.350 nan 0.000 0.194 172 E C 2.280 178.935 176.600 0.092 0.000 0.988 172 E CA 3.196 59.644 56.400 0.080 0.000 0.811 172 E CB -0.343 29.390 29.700 0.055 0.000 0.746 172 E HN 0.424 8.824 8.360 0.065 0.000 0.466 173 H N 0.777 119.850 119.070 0.004 0.000 2.299 173 H HA -0.218 nan 4.556 nan 0.000 0.302 173 H C 2.144 177.488 175.328 0.027 0.000 1.078 173 H CA 3.392 59.442 56.048 0.004 0.000 1.323 173 H CB 0.561 30.313 29.762 -0.017 0.000 1.381 173 H HN -0.690 7.687 8.280 0.181 0.011 0.498 174 L N -2.313 118.972 121.223 0.104 0.000 1.955 174 L HA -0.407 nan 4.340 nan 0.000 0.213 174 L C 2.833 179.756 176.870 0.088 0.000 1.072 174 L CA 3.079 57.950 54.840 0.052 0.000 0.755 174 L CB -0.070 41.985 42.059 -0.007 0.000 0.888 174 L HN -0.283 8.047 8.230 0.166 0.000 0.432 175 V N -4.648 115.308 119.914 0.069 0.000 2.324 175 V HA -0.410 nan 4.120 nan 0.000 0.250 175 V C 2.038 178.143 176.094 0.019 0.000 1.060 175 V CA 3.296 65.631 62.300 0.059 0.000 1.042 175 V CB -1.392 30.467 31.823 0.059 0.000 0.650 175 V HN 0.176 8.406 8.190 0.066 0.000 0.450 176 A N -0.036 122.782 122.820 -0.003 0.000 2.067 176 A HA -0.188 nan 4.320 nan 0.000 0.219 176 A C 1.264 178.809 177.584 -0.065 0.000 1.158 176 A CA 2.630 54.649 52.037 -0.030 0.000 0.661 176 A CB -0.491 18.491 19.000 -0.030 0.000 0.801 176 A HN -0.308 7.845 8.150 0.005 0.000 0.452 177 L N -4.172 117.002 121.223 -0.082 0.000 2.509 177 L HA 0.008 nan 4.340 nan 0.000 0.222 177 L C 0.274 177.060 176.870 -0.141 0.000 1.123 177 L CA 0.311 55.090 54.840 -0.102 0.000 0.856 177 L CB 0.455 42.473 42.059 -0.068 0.000 0.985 177 L HN -0.162 7.881 8.230 -0.063 0.150 0.456 178 G N -3.014 105.720 108.800 -0.110 0.000 2.154 178 G HA2 -0.343 nan 3.960 nan 0.000 0.186 178 G HA3 -0.343 nan 3.960 nan 0.000 0.186 178 G C -0.584 174.204 174.900 -0.186 0.000 1.000 178 G CA -0.519 44.492 45.100 -0.149 0.000 0.664 178 G HN -0.357 7.692 8.290 -0.047 0.213 0.513 179 H N 0.929 119.977 119.070 -0.037 0.000 2.819 179 H HA -0.073 nan 4.556 nan 0.000 0.303 179 H C -0.133 175.183 175.328 -0.019 0.000 1.058 179 H CA 0.857 56.888 56.048 -0.029 0.000 1.471 179 H CB 0.410 30.151 29.762 -0.034 0.000 1.480 179 H HN -0.648 7.679 8.280 0.079 0.000 0.517 180 Q N 4.794 124.643 119.800 0.082 0.000 2.263 180 Q HA 0.062 nan 4.340 nan 0.000 0.196 180 Q C 0.112 176.144 176.000 0.053 0.000 0.965 180 Q CA 1.396 57.228 55.803 0.049 0.000 0.851 180 Q CB 0.549 29.298 28.738 0.018 0.000 0.948 180 Q HN 0.560 8.871 8.270 0.068 0.000 0.516 181 Q N 0.802 120.636 119.800 0.057 0.000 2.402 181 Q HA 0.074 nan 4.340 nan 0.000 0.238 181 Q C -1.422 174.593 176.000 0.026 0.000 1.126 181 Q CA -0.301 55.524 55.803 0.037 0.000 0.904 181 Q CB -0.326 28.430 28.738 0.031 0.000 1.357 181 Q HN 0.081 8.391 8.270 0.067 0.000 0.491 182 I N 3.594 124.163 120.570 -0.002 0.000 2.436 182 I HA 0.541 nan 4.170 nan 0.000 0.289 182 I C -1.915 174.159 176.117 -0.072 0.000 1.010 182 I CA -1.601 59.666 61.300 -0.055 0.000 1.098 182 I CB 2.859 40.820 38.000 -0.066 0.000 1.266 182 I HN -0.262 7.952 8.210 0.008 0.000 0.434 183 A N 6.495 129.253 122.820 -0.105 0.000 2.325 183 A HA 0.904 nan 4.320 nan 0.000 0.333 183 A C -2.096 175.385 177.584 -0.173 0.000 1.155 183 A CA -2.218 49.759 52.037 -0.101 0.000 0.814 183 A CB 2.387 21.339 19.000 -0.080 0.000 1.206 183 A HN 0.494 8.570 8.150 -0.123 0.000 0.482 184 L N 0.036 121.173 121.223 -0.144 0.000 2.317 184 L HA 0.873 nan 4.340 nan 0.000 0.281 184 L C -1.527 175.294 176.870 -0.082 0.000 1.024 184 L CA -1.197 53.518 54.840 -0.207 0.000 0.810 184 L CB 2.236 44.253 42.059 -0.069 0.000 1.240 184 L HN 0.689 8.768 8.230 -0.077 0.105 0.427 185 L N 4.091 125.268 121.223 -0.077 0.000 2.401 185 L HA 0.619 nan 4.340 nan 0.000 0.263 185 L C -2.620 174.335 176.870 0.141 0.000 1.004 185 L CA -1.655 53.193 54.840 0.013 0.000 0.881 185 L CB 2.172 44.221 42.059 -0.016 0.000 1.219 185 L HN 0.791 8.887 8.230 -0.223 0.000 0.441 186 A N 7.055 129.953 122.820 0.131 0.000 2.282 186 A HA 0.538 nan 4.320 nan 0.000 0.319 186 A C -1.303 176.158 177.584 -0.205 0.000 1.121 186 A CA -1.562 50.522 52.037 0.078 0.000 0.836 186 A CB 2.962 22.001 19.000 0.065 0.000 1.146 186 A HN 0.960 9.059 8.150 0.079 0.099 0.494 187 G N -2.229 106.270 108.800 -0.501 0.000 2.570 187 G HA2 0.192 nan 3.960 nan 0.000 0.276 187 G HA3 0.192 nan 3.960 nan 0.000 0.276 187 G C -2.175 172.254 174.900 -0.785 0.000 1.346 187 G CA -2.508 41.878 45.100 -1.190 0.000 1.034 187 G HN 0.124 8.181 8.290 -0.388 0.000 0.512 188 P HA -0.069 nan 4.420 nan 0.000 0.265 188 P C -0.179 176.975 177.300 -0.243 0.000 1.222 188 P CA 0.133 62.996 63.100 -0.395 0.000 0.767 188 P CB 0.086 31.607 31.700 -0.298 0.000 0.801 189 L N 2.982 124.106 121.223 -0.164 0.000 2.721 189 L HA -0.297 nan 4.340 nan 0.000 0.241 189 L C 1.170 177.999 176.870 -0.069 0.000 1.168 189 L CA 1.777 56.556 54.840 -0.101 0.000 0.866 189 L CB -1.332 40.686 42.059 -0.069 0.000 0.996 189 L HN -0.219 8.048 8.230 -0.160 -0.133 0.451 190 S N -4.209 111.451 115.700 -0.068 0.000 2.558 190 S HA -0.099 nan 4.470 nan 0.000 0.217 190 S C 0.159 174.738 174.600 -0.035 0.000 0.975 190 S CA 0.060 58.236 58.200 -0.041 0.000 0.912 190 S CB -0.021 63.162 63.200 -0.028 0.000 0.776 190 S HN -0.145 8.013 8.310 -0.090 0.098 0.526 191 S N 1.913 117.603 115.700 -0.018 0.000 2.451 191 S HA 0.228 nan 4.470 nan 0.000 0.301 191 S C 0.208 174.807 174.600 -0.003 0.000 1.116 191 S CA -2.303 55.914 58.200 0.027 0.000 1.093 191 S CB 1.197 64.534 63.200 0.227 0.000 1.017 191 S HN -0.096 8.001 8.310 -0.042 0.188 0.482 192 V N 7.998 127.891 119.914 -0.036 0.000 2.255 192 V HA -0.441 nan 4.120 nan 0.000 0.247 192 V C 1.725 177.775 176.094 -0.075 0.000 1.051 192 V CA 3.990 66.252 62.300 -0.064 0.000 1.018 192 V CB -0.599 31.179 31.823 -0.076 0.000 0.641 192 V HN 0.973 9.133 8.190 -0.050 0.000 0.445 193 S N -0.707 114.969 115.700 -0.039 0.000 2.374 193 S HA -0.392 nan 4.470 nan 0.000 0.227 193 S C 1.573 176.151 174.600 -0.037 0.000 1.037 193 S CA 3.893 62.063 58.200 -0.049 0.000 1.024 193 S CB -0.687 62.509 63.200 -0.007 0.000 0.861 193 S HN -0.005 8.295 8.310 -0.018 0.000 0.456 194 A N 1.097 123.970 122.820 0.088 0.000 1.851 194 A HA -0.317 nan 4.320 nan 0.000 0.216 194 A C 2.156 179.658 177.584 -0.137 0.000 1.195 194 A CA 3.039 55.065 52.037 -0.018 0.000 0.622 194 A CB -0.677 18.256 19.000 -0.112 0.000 0.831 194 A HN -0.708 7.462 8.150 0.172 0.083 0.444 195 R N -2.021 118.418 120.500 -0.102 0.000 2.105 195 R HA -0.384 nan 4.340 nan 0.000 0.239 195 R C 2.549 178.773 176.300 -0.127 0.000 1.135 195 R CA 3.413 59.454 56.100 -0.098 0.000 0.967 195 R CB -0.241 30.017 30.300 -0.069 0.000 0.861 195 R HN -0.103 8.070 8.270 -0.070 0.055 0.442 196 L N -0.958 120.158 121.223 -0.179 0.000 1.994 196 L HA -0.390 nan 4.340 nan 0.000 0.208 196 L C 2.475 179.247 176.870 -0.164 0.000 1.071 196 L CA 3.130 57.833 54.840 -0.228 0.000 0.745 196 L CB -0.506 41.246 42.059 -0.512 0.000 0.892 196 L HN 0.467 8.379 8.230 -0.173 0.214 0.431 197 R N -2.265 118.036 120.500 -0.331 0.000 2.081 197 R HA -0.341 nan 4.340 nan 0.000 0.235 197 R C 2.559 178.275 176.300 -0.974 0.000 1.131 197 R CA 3.241 58.945 56.100 -0.660 0.000 0.960 197 R CB -0.238 29.534 30.300 -0.879 0.000 0.856 197 R HN -0.026 8.053 8.270 -0.317 0.000 0.436 198 L N -0.160 120.682 121.223 -0.636 0.000 1.994 198 L HA -0.282 nan 4.340 nan 0.000 0.208 198 L C 1.680 178.485 176.870 -0.109 0.000 1.071 198 L CA 3.271 57.895 54.840 -0.360 0.000 0.745 198 L CB -0.500 41.497 42.059 -0.102 0.000 0.892 198 L HN 0.251 8.204 8.230 -0.461 0.000 0.431 199 A N -3.227 119.602 122.820 0.014 0.000 2.019 199 A HA -0.257 nan 4.320 nan 0.000 0.219 199 A C 2.155 179.834 177.584 0.158 0.000 1.164 199 A CA 2.906 55.050 52.037 0.179 0.000 0.644 199 A CB -0.763 18.297 19.000 0.100 0.000 0.805 199 A HN 0.549 8.664 8.150 -0.058 0.000 0.449 200 G N -1.486 107.346 108.800 0.052 0.000 2.408 200 G HA2 -0.154 nan 3.960 nan 0.000 0.215 200 G HA3 -0.154 nan 3.960 nan 0.000 0.215 200 G C 0.965 176.033 174.900 0.279 0.000 1.156 200 G CA 1.400 46.596 45.100 0.159 0.000 0.793 200 G HN -0.411 7.699 8.290 -0.078 0.134 0.535 201 W N 1.547 122.932 121.300 0.141 0.000 2.374 201 W HA -0.240 nan 4.660 nan 0.000 0.288 201 W C 2.241 178.801 176.519 0.068 0.000 1.218 201 W CA 2.237 59.633 57.345 0.084 0.000 1.245 201 W CB -0.788 28.647 29.460 -0.042 0.000 1.126 201 W HN -0.081 7.905 8.180 -0.184 0.084 0.545 202 H N -0.902 118.351 119.070 0.304 0.000 2.321 202 H HA -0.423 nan 4.556 nan 0.000 0.300 202 H C 2.313 177.701 175.328 0.101 0.000 1.087 202 H CA 4.194 60.346 56.048 0.173 0.000 1.319 202 H CB 0.032 29.860 29.762 0.109 0.000 1.379 202 H HN -0.552 7.798 8.280 0.135 0.010 0.501 203 K N 0.086 120.596 120.400 0.182 0.000 2.001 203 K HA -0.430 nan 4.320 nan 0.000 0.214 203 K C 2.274 178.775 176.600 -0.164 0.000 1.050 203 K CA 3.583 59.825 56.287 -0.074 0.000 0.934 203 K CB 0.015 32.366 32.500 -0.249 0.000 0.718 203 K HN -0.446 7.869 8.250 0.230 0.072 0.443 204 Y N -4.152 116.231 120.300 0.138 0.000 2.439 204 Y HA -0.217 nan 4.550 nan 0.000 0.292 204 Y C 2.096 178.068 175.900 0.120 0.000 1.130 204 Y CA 2.796 60.970 58.100 0.123 0.000 1.254 204 Y CB -0.028 38.512 38.460 0.133 0.000 1.000 204 Y HN -0.494 7.951 8.280 0.275 0.000 0.554 205 L N -2.541 118.831 121.223 0.248 0.000 2.007 205 L HA -0.236 nan 4.340 nan 0.000 0.205 205 L C 2.192 179.139 176.870 0.129 0.000 1.073 205 L CA 2.161 57.108 54.840 0.178 0.000 0.744 205 L CB 0.358 42.518 42.059 0.168 0.000 0.898 205 L HN 0.062 8.244 8.230 0.275 0.213 0.435 206 T N -1.866 112.760 114.554 0.120 0.000 2.653 206 T HA -0.396 nan 4.350 nan 0.000 0.268 206 T C 2.154 176.882 174.700 0.047 0.000 1.035 206 T CA 3.558 65.703 62.100 0.075 0.000 1.154 206 T CB -0.770 68.132 68.868 0.056 0.000 0.862 206 T HN 0.335 8.667 8.240 0.153 0.000 0.441 207 R N -0.324 120.194 120.500 0.031 0.000 2.323 207 R HA -0.047 nan 4.340 nan 0.000 0.198 207 R C 1.412 177.744 176.300 0.053 0.000 0.988 207 R CA 1.568 57.681 56.100 0.022 0.000 1.041 207 R CB -0.578 29.710 30.300 -0.020 0.000 0.926 207 R HN -0.291 7.992 8.270 0.020 0.000 0.476 208 N N -1.218 117.525 118.700 0.072 0.000 2.235 208 N HA 0.087 nan 4.740 nan 0.000 0.231 208 N C -1.484 174.059 175.510 0.056 0.000 1.177 208 N CA -0.185 52.908 53.050 0.071 0.000 0.874 208 N CB 0.577 39.119 38.487 0.092 0.000 1.097 208 N HN -0.106 8.105 8.380 0.079 0.217 0.518 209 Q N -3.794 116.035 119.800 0.049 0.000 2.480 209 Q HA -0.370 nan 4.340 nan 0.000 0.265 209 Q C -1.215 174.812 176.000 0.045 0.000 1.072 209 Q CA 1.149 56.977 55.803 0.040 0.000 1.018 209 Q CB -2.023 26.733 28.738 0.030 0.000 1.433 209 Q HN 0.027 8.141 8.270 0.047 0.185 0.513 210 I N -0.786 119.820 120.570 0.059 0.000 2.460 210 I HA 0.033 nan 4.170 nan 0.000 0.298 210 I C -1.150 175.010 176.117 0.072 0.000 0.989 210 I CA -0.701 60.635 61.300 0.060 0.000 1.173 210 I CB 1.662 39.699 38.000 0.062 0.000 1.338 210 I HN -0.434 7.786 8.210 0.069 0.032 0.456 211 Q N 4.621 124.458 119.800 0.063 0.000 2.340 211 Q HA 0.341 nan 4.340 nan 0.000 0.268 211 Q C -2.673 173.364 176.000 0.062 0.000 1.031 211 Q CA -3.708 52.139 55.803 0.074 0.000 0.804 211 Q CB 1.345 30.116 28.738 0.056 0.000 1.286 211 Q HN 0.121 8.421 8.270 0.050 0.000 0.448 212 P HA 0.092 nan 4.420 nan 0.000 0.276 212 P C -0.751 176.570 177.300 0.035 0.000 1.243 212 P CA -0.369 62.756 63.100 0.042 0.000 0.768 212 P CB 0.412 32.140 31.700 0.046 0.000 0.856 213 I N -0.333 120.246 120.570 0.016 0.000 2.614 213 I HA -0.054 nan 4.170 nan 0.000 0.258 213 I C -0.332 175.790 176.117 0.009 0.000 1.189 213 I CA 0.425 61.732 61.300 0.012 0.000 1.462 213 I CB 0.124 38.127 38.000 0.004 0.000 1.092 213 I HN 0.235 8.449 8.210 0.007 0.000 0.442 214 A N -1.029 121.794 122.820 0.004 0.000 2.547 214 A HA 0.191 nan 4.320 nan 0.000 0.297 214 A C -2.872 174.715 177.584 0.006 0.000 1.056 214 A CA -0.430 51.608 52.037 0.001 0.000 0.688 214 A CB 2.646 21.637 19.000 -0.016 0.000 1.282 214 A HN -0.596 7.511 8.150 -0.001 0.042 0.400 215 E N 2.122 122.336 120.200 0.023 0.000 2.265 215 E HA 0.631 nan 4.350 nan 0.000 0.262 215 E C -1.658 174.958 176.600 0.027 0.000 0.889 215 E CA -1.096 55.328 56.400 0.041 0.000 0.789 215 E CB 2.264 32.024 29.700 0.100 0.000 1.221 215 E HN 0.252 8.625 8.360 0.022 0.000 0.414 216 R N 4.392 124.900 120.500 0.013 0.000 2.867 216 R HA 0.448 nan 4.340 nan 0.000 0.268 216 R C -0.816 175.479 176.300 -0.009 0.000 1.014 216 R CA -0.691 55.407 56.100 -0.004 0.000 0.946 216 R CB 3.541 33.828 30.300 -0.021 0.000 1.208 216 R HN 0.959 9.128 8.270 0.014 0.109 0.477 217 E N 1.928 122.107 120.200 -0.034 0.000 2.290 217 E HA 0.614 4.964 4.350 0.000 0.000 0.274 217 E C -1.400 175.143 176.600 -0.095 0.000 0.889 217 E CA -0.533 55.823 56.400 -0.074 0.000 0.760 217 E CB 3.013 32.661 29.700 -0.086 0.000 1.206 217 E HN 0.127 nan 8.360 nan 0.000 0.419 218 G N 2.006 110.723 108.800 -0.138 0.000 3.075 218 G HA2 0.366 nan 3.960 nan 0.000 0.156 218 G HA3 0.366 nan 3.960 nan 0.000 0.156 218 G C -1.488 173.285 174.900 -0.212 0.000 1.403 218 G CA 0.007 45.031 45.100 -0.128 0.000 1.033 218 G HN 0.594 8.786 8.290 -0.163 0.000 0.589 219 D N -2.066 118.215 120.400 -0.197 0.000 2.740 219 D HA 0.138 nan 4.640 nan 0.000 0.305 219 D C -0.075 176.172 176.300 -0.088 0.000 1.583 219 D CA -1.642 52.219 54.000 -0.232 0.000 0.790 219 D CB -0.036 40.720 40.800 -0.074 0.000 1.187 219 D HN -0.545 7.758 8.370 -0.111 0.000 0.447 220 W N -4.986 116.321 121.300 0.012 0.000 1.273 220 W HA -0.445 nan 4.660 nan 0.000 0.240 220 W C -0.461 176.057 176.519 -0.001 0.000 0.987 220 W CA 1.191 58.538 57.345 0.004 0.000 0.393 220 W CB -1.810 27.638 29.460 -0.020 0.000 1.994 220 W HN -0.364 7.696 8.180 -0.199 0.000 1.170 221 S N -2.428 113.389 115.700 0.194 0.000 2.687 221 S HA 0.301 nan 4.470 nan 0.000 0.283 221 S C 0.650 175.321 174.600 0.119 0.000 1.170 221 S CA -1.561 56.715 58.200 0.126 0.000 1.008 221 S CB 2.502 65.755 63.200 0.089 0.000 1.026 221 S HN -0.729 7.795 8.310 0.143 -0.128 0.541 222 A N 2.441 125.325 122.820 0.107 0.000 1.969 222 A HA -0.163 nan 4.320 nan 0.000 0.218 222 A C 2.207 179.854 177.584 0.106 0.000 1.169 222 A CA 3.092 55.191 52.037 0.103 0.000 0.635 222 A CB -0.536 18.512 19.000 0.080 0.000 0.810 222 A HN 0.809 9.017 8.150 0.096 0.000 0.445 223 M N -0.855 118.796 119.600 0.085 0.000 2.132 223 M HA -0.194 nan 4.480 nan 0.000 0.263 223 M C 1.354 177.745 176.300 0.152 0.000 1.065 223 M CA 2.025 57.386 55.300 0.101 0.000 1.122 223 M CB -0.704 31.930 32.600 0.056 0.000 1.365 223 M HN -0.029 8.304 8.290 0.071 0.000 0.411 224 S N -0.511 115.250 115.700 0.101 0.000 2.383 224 S HA -0.319 nan 4.470 nan 0.000 0.229 224 S C 2.538 177.181 174.600 0.072 0.000 1.030 224 S CA 3.894 62.137 58.200 0.072 0.000 1.002 224 S CB -0.757 62.461 63.200 0.029 0.000 0.829 224 S HN -0.517 7.844 8.310 0.085 0.000 0.467 225 G N 1.254 110.110 108.800 0.094 0.000 2.421 225 G HA2 -0.314 nan 3.960 nan 0.000 0.216 225 G HA3 -0.314 nan 3.960 nan 0.000 0.216 225 G C 0.532 175.481 174.900 0.083 0.000 1.171 225 G CA 1.880 47.028 45.100 0.079 0.000 0.775 225 G HN -0.463 7.882 8.290 0.106 0.009 0.543 226 F N 3.370 123.319 119.950 -0.001 0.000 2.014 226 F HA -0.384 nan 4.527 nan 0.000 0.295 226 F C 0.934 176.729 175.800 -0.007 0.000 1.145 226 F CA 3.349 61.344 58.000 -0.007 0.000 1.178 226 F CB 0.368 39.363 39.000 -0.008 0.000 0.972 226 F HN -0.292 8.098 8.300 0.266 0.069 0.476 227 Q N -2.342 117.551 119.800 0.155 0.000 2.248 227 Q HA -0.470 nan 4.340 nan 0.000 0.208 227 Q C 2.556 178.508 176.000 -0.080 0.000 0.984 227 Q CA 3.121 58.936 55.803 0.019 0.000 0.875 227 Q CB -0.546 28.259 28.738 0.112 0.000 0.910 227 Q HN 0.408 8.885 8.270 0.344 0.000 0.433 228 Q N -0.805 118.960 119.800 -0.059 0.000 2.033 228 Q HA -0.167 nan 4.340 nan 0.000 0.196 228 Q C 2.780 178.718 176.000 -0.103 0.000 0.970 228 Q CA 2.435 58.199 55.803 -0.065 0.000 0.828 228 Q CB -0.328 28.386 28.738 -0.040 0.000 0.895 228 Q HN 0.008 8.242 8.270 -0.020 0.024 0.440 229 T N 3.714 118.192 114.554 -0.127 0.000 2.635 229 T HA -0.373 nan 4.350 nan 0.000 0.267 229 T C 1.896 176.477 174.700 -0.198 0.000 1.040 229 T CA 4.497 66.510 62.100 -0.145 0.000 1.156 229 T CB -0.431 68.351 68.868 -0.144 0.000 0.863 229 T HN -0.209 7.966 8.240 -0.108 0.000 0.430 230 M N 1.451 120.850 119.600 -0.336 0.000 2.110 230 M HA -0.454 nan 4.480 nan 0.000 0.257 230 M C 1.207 177.394 176.300 -0.189 0.000 1.071 230 M CA 3.149 58.238 55.300 -0.351 0.000 1.096 230 M CB -0.230 32.020 32.600 -0.584 0.000 1.300 230 M HN 0.123 8.150 8.290 -0.439 0.000 0.411 231 Q N -3.480 116.231 119.800 -0.147 0.000 2.437 231 Q HA -0.250 nan 4.340 nan 0.000 0.210 231 Q C 1.972 177.930 176.000 -0.069 0.000 0.972 231 Q CA 2.034 57.785 55.803 -0.086 0.000 0.903 231 Q CB -0.450 28.252 28.738 -0.060 0.000 0.967 231 Q HN -0.417 7.756 8.270 -0.162 0.000 0.486 232 M N 0.323 119.876 119.600 -0.079 0.000 2.134 232 M HA -0.258 nan 4.480 nan 0.000 0.262 232 M C 1.323 177.588 176.300 -0.058 0.000 1.076 232 M CA 2.985 58.248 55.300 -0.061 0.000 1.143 232 M CB 0.599 33.159 32.600 -0.065 0.000 1.346 232 M HN -0.521 7.537 8.290 -0.102 0.171 0.421 233 L N -2.066 119.113 121.223 -0.073 0.000 2.046 233 L HA -0.450 nan 4.340 nan 0.000 0.208 233 L C 2.503 179.343 176.870 -0.051 0.000 1.077 233 L CA 3.066 57.870 54.840 -0.062 0.000 0.747 233 L CB -0.657 41.357 42.059 -0.075 0.000 0.896 233 L HN 0.340 8.513 8.230 -0.094 0.000 0.432 234 N N -1.309 117.356 118.700 -0.059 0.000 2.571 234 N HA -0.195 nan 4.740 nan 0.000 0.189 234 N C 0.776 176.266 175.510 -0.033 0.000 1.154 234 N CA 1.837 54.860 53.050 -0.044 0.000 0.907 234 N CB -0.116 38.342 38.487 -0.049 0.000 0.977 234 N HN 0.125 8.460 8.380 -0.076 0.000 0.449 235 E N -2.303 117.877 120.200 -0.033 0.000 2.481 235 E HA 0.079 nan 4.350 nan 0.000 0.198 235 E C 0.126 176.714 176.600 -0.020 0.000 1.027 235 E CA -0.288 56.097 56.400 -0.025 0.000 0.900 235 E CB 0.327 30.012 29.700 -0.025 0.000 0.993 235 E HN -0.341 7.777 8.360 -0.040 0.218 0.482 236 G N -1.299 107.487 108.800 -0.022 0.000 2.195 236 G HA2 -0.410 nan 3.960 nan 0.000 0.246 236 G HA3 -0.410 nan 3.960 nan 0.000 0.246 236 G C -0.416 174.473 174.900 -0.017 0.000 0.984 236 G CA 0.445 45.534 45.100 -0.018 0.000 0.633 236 G HN -0.100 7.983 8.290 -0.027 0.191 0.525 237 I N 3.076 123.634 120.570 -0.021 0.000 2.291 237 I HA -0.046 nan 4.170 nan 0.000 0.292 237 I C -1.292 174.810 176.117 -0.025 0.000 1.064 237 I CA 0.270 61.558 61.300 -0.020 0.000 1.269 237 I CB -0.082 37.906 38.000 -0.020 0.000 1.418 237 I HN -0.719 7.410 8.210 -0.025 0.066 0.485 238 V N 7.558 127.461 119.914 -0.019 0.000 2.349 238 V HA 0.529 nan 4.120 nan 0.000 0.284 238 V C -1.844 174.243 176.094 -0.013 0.000 1.014 238 V CA -3.902 58.386 62.300 -0.020 0.000 0.826 238 V CB 1.716 33.529 31.823 -0.017 0.000 1.009 238 V HN 0.064 8.245 8.190 -0.014 0.000 0.431 239 P HA 0.599 nan 4.420 nan 0.000 0.282 239 P C -1.196 176.107 177.300 0.005 0.000 1.287 239 P CA -0.845 62.247 63.100 -0.012 0.000 0.792 239 P CB 2.335 34.012 31.700 -0.039 0.000 1.163 240 T N -7.796 106.782 114.554 0.040 0.000 3.001 240 T HA 0.193 nan 4.350 nan 0.000 0.251 240 T C -0.558 174.141 174.700 -0.001 0.000 1.040 240 T CA -0.321 61.845 62.100 0.110 0.000 0.985 240 T CB 0.916 69.932 68.868 0.248 0.000 1.011 240 T HN 0.560 8.720 8.240 0.044 0.107 0.509 241 A N 0.770 123.504 122.820 -0.142 0.000 2.606 241 A HA 0.793 nan 4.320 nan 0.000 0.293 241 A C -3.167 174.290 177.584 -0.211 0.000 1.082 241 A CA 0.052 51.892 52.037 -0.327 0.000 0.685 241 A CB 2.750 21.333 19.000 -0.696 0.000 1.284 241 A HN -0.606 7.455 8.150 -0.079 0.042 0.408 242 M N -1.001 118.475 119.600 -0.207 0.000 2.446 242 M HA 0.676 nan 4.480 nan 0.000 0.294 242 M C -1.807 174.339 176.300 -0.256 0.000 1.158 242 M CA -0.623 54.556 55.300 -0.202 0.000 0.899 242 M CB 4.857 37.375 32.600 -0.138 0.000 1.687 242 M HN 0.557 8.627 8.290 -0.210 0.094 0.455 243 L N 2.468 123.450 121.223 -0.402 0.000 2.298 243 L HA 0.684 nan 4.340 nan 0.000 0.284 243 L C -1.821 174.688 176.870 -0.603 0.000 1.013 243 L CA -0.791 53.668 54.840 -0.636 0.000 0.824 243 L CB 1.299 42.639 42.059 -1.198 0.000 1.221 243 L HN 0.483 8.469 8.230 -0.406 0.000 0.418 244 V N 3.615 123.407 119.914 -0.202 0.000 2.581 244 V HA 0.428 nan 4.120 nan 0.000 0.303 244 V C -0.639 175.717 176.094 0.437 0.000 1.041 244 V CA -2.326 60.016 62.300 0.071 0.000 0.907 244 V CB 1.202 33.083 31.823 0.096 0.000 0.994 244 V HN 0.747 8.874 8.190 -0.106 0.000 0.442 245 A N 3.888 127.033 122.820 0.542 0.000 2.076 245 A HA -0.239 nan 4.320 nan 0.000 0.220 245 A C -1.413 176.494 177.584 0.538 0.000 1.160 245 A CA 2.608 54.966 52.037 0.535 0.000 0.653 245 A CB 0.761 19.923 19.000 0.269 0.000 0.801 245 A HN 0.929 9.314 8.150 0.391 0.000 0.455 246 N N -6.988 112.005 118.700 0.487 0.000 2.961 246 N HA 0.026 nan 4.740 nan 0.000 0.245 246 N C -0.354 175.356 175.510 0.333 0.000 1.404 246 N CA -1.000 52.307 53.050 0.428 0.000 0.880 246 N CB 1.989 40.736 38.487 0.433 0.000 1.461 246 N HN -0.938 7.650 8.380 0.405 0.035 0.510 247 D N 0.363 120.934 120.400 0.285 0.000 2.178 247 D HA -0.288 nan 4.640 nan 0.000 0.201 247 D C 1.587 178.098 176.300 0.351 0.000 0.980 247 D CA 3.760 57.926 54.000 0.277 0.000 0.842 247 D CB -0.143 40.776 40.800 0.199 0.000 0.948 247 D HN 0.324 8.856 8.370 0.270 0.000 0.472 248 Q N -0.760 119.225 119.800 0.309 0.000 2.049 248 Q HA -0.210 nan 4.340 nan 0.000 0.198 248 Q C 2.395 178.526 176.000 0.219 0.000 0.971 248 Q CA 3.302 59.274 55.803 0.282 0.000 0.833 248 Q CB -0.023 28.836 28.738 0.202 0.000 0.896 248 Q HN 0.006 8.423 8.270 0.280 0.022 0.434 249 M N -1.055 118.679 119.600 0.222 0.000 2.296 249 M HA -0.359 nan 4.480 nan 0.000 0.265 249 M C 2.005 178.392 176.300 0.146 0.000 1.064 249 M CA 3.310 58.712 55.300 0.169 0.000 1.109 249 M CB -0.106 32.594 32.600 0.167 0.000 1.396 249 M HN 0.201 9.039 8.290 0.265 -0.388 0.430 250 A N 0.269 123.199 122.820 0.182 0.000 1.877 250 A HA -0.260 nan 4.320 nan 0.000 0.216 250 A C 1.614 179.268 177.584 0.117 0.000 1.186 250 A CA 3.091 55.221 52.037 0.155 0.000 0.620 250 A CB -0.927 18.195 19.000 0.204 0.000 0.822 250 A HN -0.160 8.017 8.150 0.229 0.110 0.443 251 L N -1.426 119.863 121.223 0.110 0.000 2.012 251 L HA -0.335 nan 4.340 nan 0.000 0.210 251 L C 2.007 178.859 176.870 -0.030 0.000 1.073 251 L CA 2.870 57.640 54.840 -0.116 0.000 0.748 251 L CB -0.527 41.330 42.059 -0.337 0.000 0.891 251 L HN -0.306 7.980 8.230 0.215 0.072 0.431 252 G N -2.927 105.906 108.800 0.056 0.000 2.432 252 G HA2 -0.418 nan 3.960 nan 0.000 0.219 252 G HA3 -0.418 nan 3.960 nan 0.000 0.219 252 G C 0.603 175.597 174.900 0.156 0.000 1.135 252 G CA 2.011 47.192 45.100 0.136 0.000 0.767 252 G HN -0.146 8.122 8.290 0.078 0.068 0.550 253 A N 2.239 125.107 122.820 0.080 0.000 1.873 253 A HA -0.182 nan 4.320 nan 0.000 0.215 253 A C 1.984 179.585 177.584 0.028 0.000 1.186 253 A CA 2.893 54.949 52.037 0.032 0.000 0.616 253 A CB -0.625 18.385 19.000 0.017 0.000 0.823 253 A HN -0.179 7.915 8.150 0.077 0.103 0.442 254 M N -1.487 118.131 119.600 0.031 0.000 2.086 254 M HA -0.483 nan 4.480 nan 0.000 0.261 254 M C 2.092 178.416 176.300 0.040 0.000 1.067 254 M CA 3.942 59.255 55.300 0.022 0.000 1.116 254 M CB -0.238 32.366 32.600 0.006 0.000 1.348 254 M HN -0.017 8.292 8.290 0.032 0.000 0.407 255 R N -0.484 120.057 120.500 0.067 0.000 2.113 255 R HA -0.402 nan 4.340 nan 0.000 0.244 255 R C 2.069 178.507 176.300 0.230 0.000 1.142 255 R CA 3.090 59.273 56.100 0.139 0.000 0.953 255 R CB -0.653 29.757 30.300 0.183 0.000 0.860 255 R HN 0.029 8.326 8.270 0.045 0.000 0.438 256 A N -1.690 121.247 122.820 0.194 0.000 1.873 256 A HA -0.230 nan 4.320 nan 0.000 0.215 256 A C 2.114 179.677 177.584 -0.035 0.000 1.186 256 A CA 2.726 54.735 52.037 -0.047 0.000 0.616 256 A CB -0.771 18.000 19.000 -0.382 0.000 0.823 256 A HN -0.530 7.655 8.150 0.186 0.076 0.442 257 I N -1.762 118.796 120.570 -0.020 0.000 2.053 257 I HA -0.682 nan 4.170 nan 0.000 0.236 257 I C 2.338 178.458 176.117 0.006 0.000 1.038 257 I CA 4.581 65.872 61.300 -0.016 0.000 1.304 257 I CB -0.335 37.661 38.000 -0.006 0.000 1.023 257 I HN -0.009 8.195 8.210 -0.011 0.000 0.395 258 T N -3.088 111.480 114.554 0.024 0.000 2.822 258 T HA -0.371 nan 4.350 nan 0.000 0.270 258 T C 2.984 177.711 174.700 0.044 0.000 1.064 258 T CA 3.723 65.842 62.100 0.032 0.000 1.131 258 T CB -0.959 67.931 68.868 0.035 0.000 0.858 258 T HN -0.207 8.049 8.240 0.027 0.000 0.483 259 E N 1.843 122.086 120.200 0.071 0.000 2.150 259 E HA -0.066 nan 4.350 nan 0.000 0.193 259 E C 1.330 177.957 176.600 0.046 0.000 0.985 259 E CA 2.073 58.531 56.400 0.097 0.000 0.814 259 E CB -0.452 29.371 29.700 0.205 0.000 0.752 259 E HN -0.151 8.100 8.360 0.077 0.156 0.466 260 S N -2.843 112.864 115.700 0.012 0.000 2.631 260 S HA 0.045 nan 4.470 nan 0.000 0.217 260 S C -0.174 174.427 174.600 0.002 0.000 0.958 260 S CA 0.275 58.473 58.200 -0.005 0.000 0.920 260 S CB 0.423 63.605 63.200 -0.029 0.000 0.776 260 S HN -0.059 8.123 8.310 0.005 0.131 0.517 261 G N -0.420 108.386 108.800 0.011 0.000 2.175 261 G HA2 -0.386 nan 3.960 nan 0.000 0.244 261 G HA3 -0.386 nan 3.960 nan 0.000 0.244 261 G C -0.720 174.185 174.900 0.008 0.000 0.982 261 G CA 0.312 45.417 45.100 0.010 0.000 0.641 261 G HN -0.523 7.581 8.290 0.018 0.197 0.527 262 L N -0.582 120.644 121.223 0.006 0.000 2.375 262 L HA 0.069 nan 4.340 nan 0.000 0.268 262 L C -0.869 176.007 176.870 0.010 0.000 1.058 262 L CA -0.857 53.986 54.840 0.006 0.000 0.803 262 L CB 0.995 43.054 42.059 0.000 0.000 1.212 262 L HN -0.789 7.388 8.230 0.004 0.056 0.451 263 R N 0.560 121.068 120.500 0.013 0.000 2.404 263 R HA 0.165 nan 4.340 nan 0.000 0.291 263 R C -1.064 175.247 176.300 0.018 0.000 1.025 263 R CA -0.635 55.475 56.100 0.017 0.000 0.991 263 R CB 1.088 31.398 30.300 0.018 0.000 1.053 263 R HN 0.166 8.777 8.270 0.012 -0.333 0.479 264 V N 1.800 121.727 119.914 0.021 0.000 2.686 264 V HA 0.089 nan 4.120 nan 0.000 0.295 264 V C 1.394 177.506 176.094 0.029 0.000 1.055 264 V CA 1.287 63.600 62.300 0.022 0.000 1.050 264 V CB -0.271 31.568 31.823 0.027 0.000 0.984 264 V HN 0.364 8.567 8.190 0.022 0.000 0.482 265 G N 6.904 115.722 108.800 0.030 0.000 5.045 265 G HA2 -0.453 nan 3.960 nan 0.000 0.229 265 G HA3 -0.453 nan 3.960 nan 0.000 0.229 265 G C -0.015 174.918 174.900 0.054 0.000 1.440 265 G CA 1.320 46.447 45.100 0.044 0.000 0.936 265 G HN 0.542 8.748 8.290 0.021 0.097 0.690 266 A N 3.221 126.065 122.820 0.041 0.000 1.902 266 A HA -0.188 nan 4.320 nan 0.000 0.217 266 A C 0.717 178.326 177.584 0.041 0.000 1.181 266 A CA 2.793 54.852 52.037 0.037 0.000 0.623 266 A CB -0.114 18.901 19.000 0.025 0.000 0.818 266 A HN -0.181 7.935 8.150 0.035 0.055 0.443 267 D N -3.471 116.950 120.400 0.036 0.000 2.845 267 D HA 0.176 nan 4.640 nan 0.000 0.272 267 D C 0.547 176.871 176.300 0.039 0.000 1.275 267 D CA 1.611 55.631 54.000 0.032 0.000 1.029 267 D CB 1.962 42.773 40.800 0.018 0.000 1.131 267 D HN -0.622 7.767 8.370 0.031 0.000 0.423 268 I N 1.329 121.910 120.570 0.019 0.000 2.330 268 I HA 0.058 nan 4.170 nan 0.000 0.289 268 I C -0.975 175.133 176.117 -0.016 0.000 1.001 268 I CA -0.901 60.399 61.300 -0.000 0.000 1.193 268 I CB 1.140 39.129 38.000 -0.019 0.000 1.345 268 I HN -0.305 7.914 8.210 0.014 0.000 0.461 269 S N 7.812 123.478 115.700 -0.056 0.000 2.601 269 S HA 0.475 nan 4.470 nan 0.000 0.271 269 S C -1.499 173.036 174.600 -0.108 0.000 1.305 269 S CA 0.228 58.377 58.200 -0.085 0.000 1.022 269 S CB 0.789 63.881 63.200 -0.179 0.000 0.940 269 S HN 0.516 8.656 8.310 -0.071 0.128 0.525 270 V N 2.330 122.208 119.914 -0.060 0.000 2.709 270 V HA 0.557 nan 4.120 nan 0.000 0.308 270 V C -1.634 174.435 176.094 -0.041 0.000 1.062 270 V CA -0.568 61.700 62.300 -0.053 0.000 0.901 270 V CB 3.421 35.240 31.823 -0.006 0.000 1.003 270 V HN 0.447 8.620 8.190 -0.028 0.000 0.425 271 V N 6.123 126.000 119.914 -0.062 0.000 2.444 271 V HA 0.664 nan 4.120 nan 0.000 0.294 271 V C -0.819 175.283 176.094 0.014 0.000 1.022 271 V CA -1.626 60.644 62.300 -0.050 0.000 0.850 271 V CB 3.031 34.803 31.823 -0.085 0.000 0.992 271 V HN 0.778 8.814 8.190 -0.095 0.097 0.426 272 G N 6.536 115.365 108.800 0.049 0.000 2.509 272 G HA2 0.690 nan 3.960 nan 0.000 0.269 272 G HA3 0.690 nan 3.960 nan 0.000 0.269 272 G C -2.225 172.800 174.900 0.208 0.000 1.416 272 G CA -1.426 43.761 45.100 0.144 0.000 1.052 272 G HN 0.134 8.429 8.290 0.008 0.000 0.542 273 Y N -1.829 118.542 120.300 0.118 0.000 2.436 273 Y HA 0.056 nan 4.550 nan 0.000 0.327 273 Y C -2.386 173.548 175.900 0.056 0.000 1.138 273 Y CA 0.041 58.202 58.100 0.103 0.000 1.042 273 Y CB 2.882 41.467 38.460 0.208 0.000 1.302 273 Y HN -0.211 8.497 8.280 0.286 -0.256 0.439 274 D N 4.992 125.446 120.400 0.091 0.000 2.115 274 D HA -0.262 nan 4.640 nan 0.000 0.255 274 D C -0.743 175.433 176.300 -0.208 0.000 0.737 274 D CA 1.858 55.856 54.000 -0.004 0.000 1.494 274 D CB 0.177 41.119 40.800 0.236 0.000 1.394 274 D HN 0.982 9.169 8.370 -0.151 0.093 0.738 275 D N -0.574 119.763 120.400 -0.105 0.000 2.775 275 D HA -0.321 nan 4.640 nan 0.000 0.235 275 D C -1.070 175.177 176.300 -0.088 0.000 1.120 275 D CA 0.946 54.863 54.000 -0.138 0.000 0.708 275 D CB -0.595 40.085 40.800 -0.199 0.000 1.084 275 D HN 0.184 8.842 8.370 -0.026 -0.303 0.434 276 T N -5.667 108.907 114.554 0.033 0.000 2.903 276 T HA -0.090 nan 4.350 nan 0.000 0.314 276 T C 1.578 176.281 174.700 0.005 0.000 1.078 276 T CA -0.643 61.535 62.100 0.129 0.000 1.114 276 T CB 0.696 69.696 68.868 0.220 0.000 0.987 276 T HN -0.681 7.730 8.240 0.064 -0.133 0.548 277 E N 3.309 123.521 120.200 0.020 0.000 2.365 277 E HA -0.548 nan 4.350 nan 0.000 0.252 277 E C 1.333 177.868 176.600 -0.108 0.000 1.017 277 E CA 3.914 60.292 56.400 -0.037 0.000 1.051 277 E CB -0.198 29.487 29.700 -0.024 0.000 0.978 277 E HN 0.037 8.653 8.360 0.081 -0.207 0.523 278 D N -2.160 118.165 120.400 -0.125 0.000 2.411 278 D HA -0.107 nan 4.640 nan 0.000 0.226 278 D C 0.937 176.901 176.300 -0.560 0.000 0.988 278 D CA 1.304 55.194 54.000 -0.183 0.000 0.938 278 D CB -1.207 39.574 40.800 -0.032 0.000 0.883 278 D HN 0.446 8.761 8.370 -0.092 0.000 0.525 279 S N -0.724 114.584 115.700 -0.653 0.000 2.382 279 S HA -0.147 nan 4.470 nan 0.000 0.228 279 S C 0.233 174.452 174.600 -0.635 0.000 1.027 279 S CA 3.198 60.795 58.200 -1.004 0.000 0.991 279 S CB 0.700 63.620 63.200 -0.468 0.000 0.823 279 S HN -0.299 7.698 8.310 -0.374 0.088 0.469 280 S N 1.772 117.279 115.700 -0.322 0.000 2.549 280 S HA -0.084 nan 4.470 nan 0.000 0.260 280 S C 0.487 175.017 174.600 -0.116 0.000 1.217 280 S CA 0.688 58.795 58.200 -0.155 0.000 1.001 280 S CB 0.879 64.019 63.200 -0.100 0.000 1.059 280 S HN -0.729 7.411 8.310 -0.283 0.000 0.537 281 C N -4.911 114.380 119.300 -0.015 0.000 5.390 281 C HA -0.328 nan 4.460 nan 0.000 0.309 281 C C -1.453 173.654 174.990 0.195 0.000 2.188 281 C CA 1.450 60.501 59.018 0.055 0.000 2.057 281 C CB -1.760 26.003 27.740 0.039 0.000 2.844 281 C HN 0.400 8.624 8.230 -0.010 0.000 0.448 282 Y N -1.475 118.831 120.300 0.009 0.000 2.307 282 Y HA -0.026 nan 4.550 nan 0.000 0.324 282 Y C -0.385 175.523 175.900 0.014 0.000 1.238 282 Y CA -0.910 57.200 58.100 0.016 0.000 1.280 282 Y CB 1.306 39.780 38.460 0.023 0.000 1.248 282 Y HN -0.711 7.574 8.280 0.144 0.081 0.508 283 I N 4.226 124.891 120.570 0.158 0.000 2.390 283 I HA 0.316 nan 4.170 nan 0.000 0.283 283 I C -1.778 174.379 176.117 0.067 0.000 1.016 283 I CA -2.974 58.378 61.300 0.087 0.000 1.151 283 I CB 1.632 39.662 38.000 0.051 0.000 1.293 283 I HN -0.113 8.162 8.210 0.108 0.000 0.458 284 P HA 0.450 nan 4.420 nan 0.000 0.278 284 P C -2.797 174.569 177.300 0.111 0.000 1.266 284 P CA -2.404 60.742 63.100 0.076 0.000 0.807 284 P CB -0.545 31.188 31.700 0.055 0.000 1.094 285 P HA -0.121 nan 4.420 nan 0.000 0.261 285 P C -1.632 175.704 177.300 0.060 0.000 1.183 285 P CA 0.277 63.416 63.100 0.065 0.000 0.761 285 P CB 0.092 31.805 31.700 0.021 0.000 0.785 286 L N 6.776 128.037 121.223 0.064 0.000 2.462 286 L HA 0.105 nan 4.340 nan 0.000 0.272 286 L C -0.731 176.129 176.870 -0.017 0.000 1.166 286 L CA 0.341 55.215 54.840 0.058 0.000 0.880 286 L CB 0.806 42.917 42.059 0.087 0.000 1.142 286 L HN -0.047 8.210 8.230 0.045 0.000 0.473 287 T N 10.426 124.968 114.554 -0.021 0.000 2.889 287 T HA 0.465 nan 4.350 nan 0.000 0.291 287 T C -1.620 173.021 174.700 -0.098 0.000 0.995 287 T CA 0.855 62.906 62.100 -0.082 0.000 1.092 287 T CB 1.200 70.009 68.868 -0.097 0.000 0.954 287 T HN 0.436 8.680 8.240 0.006 0.000 0.506 288 T N 5.394 119.858 114.554 -0.149 0.000 2.733 288 T HA 0.410 nan 4.350 nan 0.000 0.312 288 T C -2.163 172.401 174.700 -0.227 0.000 1.590 288 T CA -0.300 61.711 62.100 -0.148 0.000 1.005 288 T CB 3.010 71.817 68.868 -0.101 0.000 1.528 288 T HN 0.899 8.928 8.240 -0.175 0.106 0.496 289 I N 3.307 123.692 120.570 -0.308 0.000 2.291 289 I HA 0.402 nan 4.170 nan 0.000 0.292 289 I C -1.280 174.574 176.117 -0.438 0.000 1.064 289 I CA -1.693 59.329 61.300 -0.462 0.000 1.269 289 I CB -0.770 36.700 38.000 -0.883 0.000 1.418 289 I HN 0.062 8.110 8.210 -0.270 0.000 0.485 290 K N 8.573 128.769 120.400 -0.341 0.000 2.349 290 K HA -0.012 nan 4.320 nan 0.000 0.288 290 K C -1.173 175.157 176.600 -0.450 0.000 1.058 290 K CA -0.216 55.861 56.287 -0.351 0.000 0.953 290 K CB 0.581 32.924 32.500 -0.261 0.000 0.997 290 K HN 0.867 8.943 8.250 -0.289 0.000 0.477 291 Q N 7.357 126.744 119.800 -0.689 0.000 2.508 291 Q HA 0.089 nan 4.340 nan 0.000 0.247 291 Q C -1.575 173.753 176.000 -1.120 0.000 1.047 291 Q CA -1.730 53.420 55.803 -1.088 0.000 0.783 291 Q CB 1.121 28.950 28.738 -1.514 0.000 1.172 291 Q HN 0.474 8.206 8.270 -0.710 0.112 0.515 292 D N 4.297 124.439 120.400 -0.431 0.000 2.503 292 D HA -0.232 nan 4.640 nan 0.000 0.280 292 D C 0.240 176.608 176.300 0.112 0.000 1.405 292 D CA 1.120 55.028 54.000 -0.154 0.000 1.049 292 D CB -0.244 40.571 40.800 0.024 0.000 1.127 292 D HN 0.264 8.469 8.370 -0.274 0.000 0.551 293 F N 4.146 124.198 119.950 0.170 0.000 2.710 293 F HA -0.110 nan 4.527 nan 0.000 0.298 293 F C 1.603 177.481 175.800 0.129 0.000 1.137 293 F CA 1.003 59.134 58.000 0.218 0.000 1.444 293 F CB -0.503 38.571 39.000 0.122 0.000 1.111 293 F HN -0.263 7.829 8.300 -0.346 0.000 0.580 294 R N 0.036 120.667 120.500 0.220 0.000 2.090 294 R HA -0.272 nan 4.340 nan 0.000 0.228 294 R C 1.849 178.218 176.300 0.116 0.000 1.110 294 R CA 3.349 59.529 56.100 0.135 0.000 0.973 294 R CB -0.421 29.926 30.300 0.078 0.000 0.869 294 R HN -0.271 8.191 8.270 0.159 -0.097 0.440 295 L N 0.282 121.580 121.223 0.124 0.000 1.976 295 L HA -0.285 nan 4.340 nan 0.000 0.209 295 L C 1.513 178.426 176.870 0.071 0.000 1.071 295 L CA 3.114 58.006 54.840 0.087 0.000 0.746 295 L CB -0.113 42.005 42.059 0.100 0.000 0.890 295 L HN -0.145 8.366 8.230 0.142 -0.195 0.432 296 L N -2.926 118.373 121.223 0.127 0.000 2.189 296 L HA -0.420 nan 4.340 nan 0.000 0.214 296 L C 1.818 178.721 176.870 0.054 0.000 1.097 296 L CA 2.754 57.622 54.840 0.047 0.000 0.764 296 L CB -0.488 41.695 42.059 0.205 0.000 0.900 296 L HN -0.332 8.053 8.230 0.257 0.000 0.436 297 G N -3.013 105.841 108.800 0.091 0.000 2.454 297 G HA2 -0.382 nan 3.960 nan 0.000 0.214 297 G HA3 -0.382 nan 3.960 nan 0.000 0.214 297 G C 0.967 175.883 174.900 0.027 0.000 1.217 297 G CA 1.729 46.862 45.100 0.055 0.000 0.799 297 G HN -0.419 7.813 8.290 0.135 0.139 0.538 298 Q N 1.672 121.489 119.800 0.028 0.000 2.061 298 Q HA -0.363 nan 4.340 nan 0.000 0.204 298 Q C 2.497 178.499 176.000 0.003 0.000 0.984 298 Q CA 2.801 58.612 55.803 0.014 0.000 0.846 298 Q CB -1.044 27.704 28.738 0.016 0.000 0.902 298 Q HN -0.291 8.004 8.270 0.042 0.000 0.421 299 T N -3.266 111.287 114.554 -0.002 0.000 2.737 299 T HA -0.359 nan 4.350 nan 0.000 0.269 299 T C 2.502 177.190 174.700 -0.020 0.000 1.040 299 T CA 3.808 65.898 62.100 -0.017 0.000 1.142 299 T CB -1.054 67.792 68.868 -0.037 0.000 0.861 299 T HN 0.166 8.408 8.240 0.004 0.000 0.456 300 S N 2.166 117.855 115.700 -0.019 0.000 2.355 300 S HA -0.211 nan 4.470 nan 0.000 0.222 300 S C 1.714 176.305 174.600 -0.016 0.000 1.031 300 S CA 3.851 62.039 58.200 -0.020 0.000 0.993 300 S CB -0.144 63.045 63.200 -0.019 0.000 0.859 300 S HN -0.616 7.591 8.310 -0.013 0.096 0.453 301 V N 2.826 122.733 119.914 -0.011 0.000 2.261 301 V HA -0.481 nan 4.120 nan 0.000 0.246 301 V C 1.655 177.744 176.094 -0.009 0.000 1.047 301 V CA 4.467 66.760 62.300 -0.011 0.000 1.015 301 V CB -0.847 30.972 31.823 -0.006 0.000 0.642 301 V HN -0.052 8.134 8.190 -0.006 0.000 0.446 302 D N -0.782 119.614 120.400 -0.006 0.000 2.103 302 D HA -0.344 nan 4.640 nan 0.000 0.190 302 D C 2.252 178.548 176.300 -0.006 0.000 0.997 302 D CA 3.775 57.772 54.000 -0.005 0.000 0.833 302 D CB -0.574 40.224 40.800 -0.004 0.000 0.961 302 D HN 0.027 8.394 8.370 -0.005 0.000 0.447 303 R N -0.156 120.340 120.500 -0.007 0.000 2.105 303 R HA -0.266 nan 4.340 nan 0.000 0.239 303 R C 2.377 178.674 176.300 -0.005 0.000 1.135 303 R CA 2.847 58.944 56.100 -0.005 0.000 0.967 303 R CB -0.077 30.220 30.300 -0.005 0.000 0.861 303 R HN -0.763 7.502 8.270 -0.009 0.000 0.442 304 L N -0.345 120.872 121.223 -0.010 0.000 2.042 304 L HA -0.306 nan 4.340 nan 0.000 0.210 304 L C 1.910 178.773 176.870 -0.010 0.000 1.076 304 L CA 3.252 58.084 54.840 -0.013 0.000 0.749 304 L CB -0.439 41.606 42.059 -0.022 0.000 0.893 304 L HN -0.310 7.824 8.230 -0.012 0.089 0.432 305 L N -3.571 117.646 121.223 -0.009 0.000 2.027 305 L HA -0.418 nan 4.340 nan 0.000 0.206 305 L C 2.069 178.936 176.870 -0.004 0.000 1.074 305 L CA 2.614 57.450 54.840 -0.007 0.000 0.745 305 L CB -0.422 41.633 42.059 -0.006 0.000 0.898 305 L HN -0.332 7.809 8.230 -0.009 0.083 0.433 306 Q N -2.458 117.340 119.800 -0.003 0.000 2.112 306 Q HA -0.343 nan 4.340 nan 0.000 0.206 306 Q C 2.995 178.996 176.000 0.002 0.000 0.987 306 Q CA 2.588 58.391 55.803 -0.000 0.000 0.858 306 Q CB 0.070 28.809 28.738 0.001 0.000 0.905 306 Q HN -0.400 7.805 8.270 -0.003 0.063 0.420 307 L N -0.946 120.278 121.223 0.002 0.000 2.012 307 L HA -0.313 nan 4.340 nan 0.000 0.210 307 L C 1.891 178.763 176.870 0.003 0.000 1.073 307 L CA 2.832 57.675 54.840 0.005 0.000 0.748 307 L CB -0.354 41.709 42.059 0.006 0.000 0.891 307 L HN 0.375 8.526 8.230 0.001 0.079 0.431 308 S N -3.080 112.620 115.700 -0.001 0.000 2.803 308 S HA -0.154 nan 4.470 nan 0.000 0.226 308 S C 0.703 175.302 174.600 -0.001 0.000 0.962 308 S CA 1.760 59.959 58.200 -0.002 0.000 0.968 308 S CB -0.598 62.598 63.200 -0.006 0.000 0.786 308 S HN -0.413 7.810 8.310 -0.003 0.085 0.527 309 Q N -1.297 118.503 119.800 0.000 0.000 2.057 309 Q HA 0.119 nan 4.340 nan 0.000 0.216 309 Q C -0.095 175.906 176.000 0.002 0.000 0.788 309 Q CA -0.617 55.186 55.803 0.000 0.000 1.053 309 Q CB 0.774 29.512 28.738 -0.001 0.000 1.210 309 Q HN -0.281 7.764 8.270 0.001 0.225 0.455 310 G N 0.644 109.446 108.800 0.003 0.000 2.228 310 G HA2 -0.462 nan 3.960 nan 0.000 0.270 310 G HA3 -0.462 nan 3.960 nan 0.000 0.270 310 G C -0.070 174.833 174.900 0.005 0.000 0.976 310 G CA 0.920 46.023 45.100 0.005 0.000 0.636 310 G HN -0.188 8.104 8.290 0.004 0.000 0.542 311 Q N 1.855 121.657 119.800 0.004 0.000 2.620 311 Q HA 0.024 nan 4.340 nan 0.000 0.333 311 Q C -1.380 174.623 176.000 0.005 0.000 1.017 311 Q CA -1.992 53.813 55.803 0.004 0.000 0.962 311 Q CB -0.704 28.036 28.738 0.002 0.000 1.297 311 Q HN -0.361 7.810 8.270 0.003 0.101 0.419 312 A N -1.178 121.646 122.820 0.007 0.000 2.287 312 A HA 0.130 nan 4.320 nan 0.000 0.273 312 A C -0.436 177.154 177.584 0.009 0.000 1.091 312 A CA -0.175 51.868 52.037 0.009 0.000 0.817 312 A CB 1.284 20.292 19.000 0.013 0.000 1.069 312 A HN -0.544 7.513 8.150 0.007 0.098 0.492 313 V N -0.059 119.861 119.914 0.010 0.000 3.263 313 V HA -0.070 nan 4.120 nan 0.000 0.248 313 V C 0.906 177.007 176.094 0.013 0.000 1.145 313 V CA 0.945 63.250 62.300 0.009 0.000 1.107 313 V CB -0.248 31.580 31.823 0.007 0.000 0.797 313 V HN 0.363 8.560 8.190 0.011 0.000 0.467 314 K N -3.580 116.831 120.400 0.018 0.000 3.517 314 K HA -0.392 nan 4.320 nan 0.000 0.320 314 K C 0.542 177.156 176.600 0.023 0.000 0.769 314 K CA 1.850 58.150 56.287 0.022 0.000 1.397 314 K CB -1.392 31.119 32.500 0.018 0.000 1.376 314 K HN 0.202 8.463 8.250 0.018 0.000 0.456 315 G N -1.101 107.709 108.800 0.018 0.000 2.509 315 G HA2 0.015 nan 3.960 nan 0.000 0.269 315 G HA3 0.015 nan 3.960 nan 0.000 0.269 315 G C -2.179 172.732 174.900 0.019 0.000 1.416 315 G CA -1.358 43.751 45.100 0.015 0.000 1.052 315 G HN -0.409 7.791 8.290 0.015 0.099 0.542 316 N N -1.845 116.864 118.700 0.015 0.000 2.493 316 N HA 0.133 nan 4.740 nan 0.000 0.275 316 N C -1.151 174.366 175.510 0.012 0.000 1.186 316 N CA -0.367 52.693 53.050 0.017 0.000 0.978 316 N CB 1.336 39.833 38.487 0.017 0.000 1.184 316 N HN 0.109 8.496 8.380 0.012 0.000 0.487 317 Q N -0.336 119.468 119.800 0.006 0.000 2.345 317 Q HA 0.295 nan 4.340 nan 0.000 0.275 317 Q C -2.165 173.827 176.000 -0.014 0.000 1.063 317 Q CA -0.891 54.909 55.803 -0.005 0.000 0.819 317 Q CB 3.938 32.667 28.738 -0.016 0.000 1.356 317 Q HN -0.031 8.243 8.270 0.006 0.000 0.418 318 L N 3.102 124.322 121.223 -0.005 0.000 2.305 318 L HA 0.605 nan 4.340 nan 0.000 0.284 318 L C -1.215 175.649 176.870 -0.010 0.000 1.013 318 L CA -1.085 53.758 54.840 0.005 0.000 0.819 318 L CB 1.167 43.250 42.059 0.040 0.000 1.227 318 L HN 0.287 8.516 8.230 -0.000 0.000 0.417 319 L N 4.201 125.398 121.223 -0.042 0.000 2.357 319 L HA 0.570 nan 4.340 nan 0.000 0.273 319 L C -1.391 175.560 176.870 0.134 0.000 1.080 319 L CA -2.718 52.106 54.840 -0.027 0.000 0.803 319 L CB 1.016 42.898 42.059 -0.296 0.000 1.174 319 L HN 0.157 8.344 8.230 -0.071 0.000 0.443 320 P HA -0.010 nan 4.420 nan 0.000 0.288 320 P C -1.282 176.115 177.300 0.163 0.000 1.291 320 P CA -0.191 62.978 63.100 0.115 0.000 0.766 320 P CB 0.625 32.360 31.700 0.059 0.000 1.242 321 V N -2.764 117.178 119.914 0.045 0.000 3.225 321 V HA 0.273 nan 4.120 nan 0.000 0.293 321 V C -2.383 173.655 176.094 -0.092 0.000 1.405 321 V CA -0.540 61.731 62.300 -0.049 0.000 1.038 321 V CB 3.242 35.040 31.823 -0.041 0.000 1.123 321 V HN -0.067 8.134 8.190 0.018 0.000 0.447 322 S N 3.285 118.892 115.700 -0.154 0.000 2.537 322 S HA 0.164 nan 4.470 nan 0.000 0.271 322 S C -2.834 171.658 174.600 -0.179 0.000 1.148 322 S CA -0.550 57.567 58.200 -0.137 0.000 0.868 322 S CB 3.056 66.194 63.200 -0.103 0.000 1.115 322 S HN 0.256 8.439 8.310 -0.212 0.000 0.461 323 L N 2.795 123.921 121.223 -0.161 0.000 2.283 323 L HA 0.364 nan 4.340 nan 0.000 0.287 323 L C -1.326 175.441 176.870 -0.171 0.000 1.073 323 L CA -0.364 54.359 54.840 -0.195 0.000 0.822 323 L CB 0.428 42.366 42.059 -0.203 0.000 1.186 323 L HN 0.252 8.405 8.230 -0.128 0.000 0.436 324 V N 9.487 129.294 119.914 -0.178 0.000 2.339 324 V HA 0.092 nan 4.120 nan 0.000 0.261 324 V C -1.292 174.714 176.094 -0.147 0.000 1.058 324 V CA -0.863 61.352 62.300 -0.141 0.000 0.897 324 V CB -0.686 31.056 31.823 -0.136 0.000 1.052 324 V HN 1.069 9.139 8.190 -0.200 0.000 0.480 325 K N 7.200 127.526 120.400 -0.123 0.000 2.276 325 K HA 0.411 nan 4.320 nan 0.000 0.285 325 K C -0.840 175.732 176.600 -0.047 0.000 1.062 325 K CA 0.213 56.437 56.287 -0.106 0.000 0.918 325 K CB 0.372 32.843 32.500 -0.048 0.000 1.055 325 K HN -0.078 8.111 8.250 -0.100 0.000 0.477 326 R N 4.649 125.127 120.500 -0.036 0.000 2.520 326 R HA 0.335 nan 4.340 nan 0.000 0.108 326 R C 0.738 177.048 176.300 0.016 0.000 1.329 326 R CA -0.746 55.346 56.100 -0.013 0.000 1.130 326 R CB 1.845 32.130 30.300 -0.024 0.000 0.965 326 R HN 0.569 8.808 8.270 -0.052 0.000 0.405 327 K N -1.848 118.566 120.400 0.023 0.000 2.536 327 K HA 0.258 nan 4.320 nan 0.000 0.203 327 K C 0.044 176.671 176.600 0.046 0.000 1.063 327 K CA -0.199 56.110 56.287 0.037 0.000 1.063 327 K CB 1.658 34.178 32.500 0.033 0.000 0.843 327 K HN 0.282 8.439 8.250 0.021 0.106 0.521 328 T N -4.517 110.065 114.554 0.047 0.000 3.145 328 T HA 0.153 nan 4.350 nan 0.000 0.255 328 T C -0.941 173.788 174.700 0.049 0.000 1.039 328 T CA -0.782 61.346 62.100 0.047 0.000 0.928 328 T CB 0.385 69.282 68.868 0.048 0.000 1.029 328 T HN -0.433 7.829 8.240 0.038 0.000 0.554 329 T N 2.357 116.957 114.554 0.078 0.000 2.848 329 T HA 0.510 nan 4.350 nan 0.000 0.285 329 T C -1.433 173.336 174.700 0.116 0.000 0.995 329 T CA -0.440 61.735 62.100 0.125 0.000 0.970 329 T CB 1.039 70.079 68.868 0.286 0.000 0.976 329 T HN -0.247 7.950 8.240 0.075 0.088 0.441 330 L N 5.768 127.069 121.223 0.131 0.000 2.622 330 L HA 0.407 nan 4.340 nan 0.000 0.258 330 L C -2.126 174.834 176.870 0.149 0.000 0.996 330 L CA -0.784 54.119 54.840 0.105 0.000 0.858 330 L CB 4.494 46.599 42.059 0.076 0.000 1.449 330 L HN 0.103 8.430 8.230 0.161 0.000 0.411 331 A N 1.888 124.724 122.820 0.026 0.000 2.462 331 A HA 0.259 nan 4.320 nan 0.000 0.243 331 A C -1.671 175.838 177.584 -0.125 0.000 1.076 331 A CA -1.428 50.553 52.037 -0.093 0.000 0.773 331 A CB -0.851 18.093 19.000 -0.093 0.000 1.010 331 A HN 0.299 8.455 8.150 0.010 0.000 0.493 332 P HA -0.085 nan 4.420 nan 0.000 0.275 332 P C -0.074 177.166 177.300 -0.100 0.000 1.270 332 P CA -0.469 62.516 63.100 -0.192 0.000 0.791 332 P CB 0.488 31.989 31.700 -0.331 0.000 1.089 333 N N -3.132 115.536 118.700 -0.053 0.000 2.712 333 N HA -0.452 nan 4.740 nan 0.000 0.263 333 N C -1.095 174.394 175.510 -0.034 0.000 0.954 333 N CA 1.007 54.036 53.050 -0.036 0.000 0.812 333 N CB -0.379 38.085 38.487 -0.039 0.000 0.912 333 N HN 0.408 8.768 8.380 -0.034 0.000 0.551 334 T N 0.832 115.370 114.554 -0.026 0.000 2.743 334 T HA 0.123 nan 4.350 nan 0.000 0.293 334 T C -1.000 173.693 174.700 -0.012 0.000 0.945 334 T CA 0.617 62.704 62.100 -0.021 0.000 1.030 334 T CB 0.559 69.418 68.868 -0.016 0.000 0.912 334 T HN 0.046 8.272 8.240 -0.018 0.003 0.483 335 Q N 3.589 123.382 119.800 -0.013 0.000 2.330 335 Q HA 0.241 nan 4.340 nan 0.000 0.269 335 Q C -0.732 175.263 176.000 -0.008 0.000 1.022 335 Q CA -0.038 55.760 55.803 -0.008 0.000 0.796 335 Q CB 1.341 30.073 28.738 -0.009 0.000 1.271 335 Q HN 0.208 8.468 8.270 -0.017 0.000 0.450 336 T N 0.963 115.515 114.554 -0.005 0.000 0.544 336 T HA -0.189 nan 4.350 nan 0.000 0.774 336 T C -1.759 172.939 174.700 -0.003 0.000 0.992 336 T CA 0.541 62.638 62.100 -0.004 0.000 4.075 336 T CB -0.035 68.830 68.868 -0.006 0.000 2.302 336 T HN 0.498 8.737 8.240 -0.003 0.000 0.398 337 A N 4.349 127.168 122.820 -0.001 0.000 2.267 337 A HA 0.694 nan 4.320 nan 0.000 0.271 337 A C -0.061 177.523 177.584 -0.001 0.000 1.131 337 A CA 0.111 52.149 52.037 0.001 0.000 0.818 337 A CB 0.967 19.968 19.000 0.003 0.000 1.118 337 A HN 0.697 8.846 8.150 -0.001 0.000 0.501 338 S N -1.758 113.943 115.700 0.001 0.000 2.681 338 S HA 0.312 nan 4.470 nan 0.000 0.299 338 S C -1.352 173.250 174.600 0.002 0.000 1.113 338 S CA -2.708 55.492 58.200 0.001 0.000 1.013 338 S CB 1.268 64.469 63.200 0.002 0.000 1.076 338 S HN -0.081 8.231 8.310 0.003 0.000 0.534 339 P HA -0.275 nan 4.420 nan 0.000 0.215 339 P C 1.673 178.975 177.300 0.003 0.000 1.163 339 P CA 2.918 66.019 63.100 0.002 0.000 0.894 339 P CB 0.047 31.747 31.700 0.001 0.000 0.791 340 R N -3.296 117.207 120.500 0.005 0.000 2.091 340 R HA -0.258 nan 4.340 nan 0.000 0.238 340 R C 1.946 178.250 176.300 0.007 0.000 1.136 340 R CA 2.594 58.697 56.100 0.006 0.000 0.959 340 R CB -0.716 29.589 30.300 0.008 0.000 0.856 340 R HN 0.217 8.490 8.270 0.005 0.000 0.437 341 A N -0.288 122.537 122.820 0.008 0.000 1.940 341 A HA -0.219 nan 4.320 nan 0.000 0.219 341 A C 2.515 180.103 177.584 0.007 0.000 1.176 341 A CA 2.964 55.006 52.037 0.009 0.000 0.631 341 A CB -0.928 18.078 19.000 0.010 0.000 0.814 341 A HN -0.594 7.561 8.150 0.008 0.000 0.446 342 L N -2.376 118.850 121.223 0.005 0.000 2.141 342 L HA -0.237 nan 4.340 nan 0.000 0.209 342 L C 2.434 179.306 176.870 0.004 0.000 1.094 342 L CA 1.749 56.591 54.840 0.004 0.000 0.763 342 L CB -1.769 40.292 42.059 0.003 0.000 0.908 342 L HN -0.151 7.979 8.230 0.005 0.103 0.437 343 A N 0.190 123.013 122.820 0.004 0.000 1.898 343 A HA -0.345 nan 4.320 nan 0.000 0.216 343 A C 1.957 179.544 177.584 0.005 0.000 1.181 343 A CA 3.467 55.506 52.037 0.004 0.000 0.620 343 A CB -0.763 18.240 19.000 0.004 0.000 0.819 343 A HN -0.079 7.963 8.150 0.004 0.111 0.442 344 D N -0.881 119.522 120.400 0.006 0.000 2.104 344 D HA -0.342 nan 4.640 nan 0.000 0.194 344 D C 2.667 178.972 176.300 0.007 0.000 0.994 344 D CA 4.047 58.052 54.000 0.007 0.000 0.830 344 D CB -0.326 40.479 40.800 0.010 0.000 0.959 344 D HN 0.027 8.401 8.370 0.007 0.000 0.452 345 S N 0.828 116.532 115.700 0.007 0.000 2.368 345 S HA -0.305 nan 4.470 nan 0.000 0.225 345 S C 2.249 176.852 174.600 0.005 0.000 1.030 345 S CA 3.186 61.390 58.200 0.007 0.000 0.999 345 S CB 0.056 63.259 63.200 0.006 0.000 0.844 345 S HN -0.269 8.045 8.310 0.007 0.000 0.459 346 L N 1.648 122.873 121.223 0.005 0.000 1.970 346 L HA -0.322 nan 4.340 nan 0.000 0.212 346 L C 1.974 178.846 176.870 0.004 0.000 1.071 346 L CA 2.889 57.731 54.840 0.004 0.000 0.751 346 L CB -0.819 41.242 42.059 0.003 0.000 0.889 346 L HN 0.004 8.237 8.230 0.005 0.000 0.432 347 M N -2.586 117.016 119.600 0.004 0.000 2.149 347 M HA -0.602 nan 4.480 nan 0.000 0.261 347 M C 2.245 178.548 176.300 0.004 0.000 1.064 347 M CA 4.293 59.596 55.300 0.004 0.000 1.102 347 M CB -0.438 32.164 32.600 0.004 0.000 1.369 347 M HN 0.317 8.610 8.290 0.004 0.000 0.408 348 Q N -0.766 119.038 119.800 0.005 0.000 2.050 348 Q HA -0.332 nan 4.340 nan 0.000 0.202 348 Q C 2.783 178.786 176.000 0.005 0.000 0.980 348 Q CA 3.124 58.931 55.803 0.006 0.000 0.840 348 Q CB -0.138 28.604 28.738 0.007 0.000 0.898 348 Q HN -0.287 7.898 8.270 0.006 0.088 0.424 349 L N -1.256 119.970 121.223 0.005 0.000 2.083 349 L HA -0.407 nan 4.340 nan 0.000 0.209 349 L C 2.020 178.892 176.870 0.003 0.000 1.083 349 L CA 2.758 57.601 54.840 0.004 0.000 0.752 349 L CB -0.481 41.580 42.059 0.004 0.000 0.899 349 L HN -0.293 7.940 8.230 0.005 0.000 0.433 350 A N -0.820 122.002 122.820 0.003 0.000 1.877 350 A HA -0.349 nan 4.320 nan 0.000 0.216 350 A C 2.058 179.643 177.584 0.003 0.000 1.186 350 A CA 3.232 55.271 52.037 0.003 0.000 0.620 350 A CB -0.955 18.046 19.000 0.002 0.000 0.822 350 A HN 0.376 8.421 8.150 0.003 0.107 0.443 351 R N -2.011 118.491 120.500 0.003 0.000 2.096 351 R HA -0.399 nan 4.340 nan 0.000 0.235 351 R C 2.678 178.979 176.300 0.003 0.000 1.127 351 R CA 3.782 59.884 56.100 0.003 0.000 0.968 351 R CB -0.173 30.129 30.300 0.004 0.000 0.861 351 R HN 0.171 8.443 8.270 0.003 0.000 0.440 352 Q N -1.892 117.910 119.800 0.003 0.000 2.224 352 Q HA -0.262 nan 4.340 nan 0.000 0.203 352 Q C 1.872 177.874 176.000 0.003 0.000 0.970 352 Q CA 2.568 58.373 55.803 0.003 0.000 0.865 352 Q CB -0.039 28.701 28.738 0.004 0.000 0.922 352 Q HN -0.077 8.095 8.270 0.004 0.101 0.445 353 V N -1.713 118.203 119.914 0.003 0.000 2.535 353 V HA -0.132 nan 4.120 nan 0.000 0.246 353 V C 1.884 177.979 176.094 0.002 0.000 1.045 353 V CA 2.583 64.885 62.300 0.002 0.000 1.058 353 V CB -0.010 31.814 31.823 0.002 0.000 0.689 353 V HN -0.164 7.891 8.190 0.003 0.136 0.461 354 S N 1.878 117.580 115.700 0.002 0.000 2.359 354 S HA -0.359 nan 4.470 nan 0.000 0.223 354 S C 2.340 176.941 174.600 0.002 0.000 1.039 354 S CA 3.173 61.374 58.200 0.002 0.000 1.042 354 S CB -0.283 62.918 63.200 0.002 0.000 0.915 354 S HN 0.367 8.497 8.310 0.002 0.181 0.439 355 R N 0.093 120.594 120.500 0.002 0.000 2.362 355 R HA -0.148 nan 4.340 nan 0.000 0.204 355 R C -0.265 176.036 176.300 0.002 0.000 1.088 355 R CA 0.794 56.896 56.100 0.002 0.000 1.121 355 R CB -0.242 30.059 30.300 0.002 0.000 0.954 355 R HN -0.613 7.659 8.270 0.002 0.000 0.478 356 L N 0.000 121.224 121.223 0.002 0.000 2.949 356 L HA 0.000 nan 4.340 nan 0.000 0.249 356 L CA 0.000 54.841 54.840 0.002 0.000 0.813 356 L CB 0.000 42.060 42.059 0.002 0.000 0.961 356 L HN 0.000 8.018 8.230 0.002 0.213 0.502