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 2bgy_1_A DATA FIRST_RESID 71 DATA SEQUENCE GLDVAISQNG FFRLVDSNGS VFYSRNGQFK LDENRNLVNM QGMQLTGYPA DATA SEQUENCE TGTPPTIQQG ANPAPITIPN TLMAAKSTTT ASMQINLNST DPVPSKTPFS DATA SEQUENCE VSDADSYNKK GTVTVYDSQG NAHDMNVYFV KTKDNEWAVY THDSSDPAAT DATA SEQUENCE APTTASTTLK FNENGILESG GTVNITTGTI NGATAATFSL SFLNSMQQNT DATA SEQUENCE GANNIVATNQ NGYKPGDLVS YQINNDGTVV GNYSNEQEQV LGQIVLANFA DATA SEQUENCE NNEGLASQGD NVWAATQASG VALLGTAGSG NFGKLTNGAL EAS 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 71 G HA2 0.000 nan 3.960 nan 0.000 0.244 71 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 71 G C 0.000 174.940 174.900 0.066 0.000 0.946 71 G CA 0.000 45.130 45.100 0.051 0.000 0.502 72 L N 1.887 123.170 121.223 0.099 0.000 2.379 72 L HA 0.696 5.036 4.340 -0.000 0.000 0.269 72 L C 0.035 176.949 176.870 0.072 0.000 1.084 72 L CA -0.635 54.278 54.840 0.121 0.000 0.802 72 L CB 1.715 43.891 42.059 0.195 0.000 1.175 72 L HN 0.491 nan 8.230 nan 0.000 0.448 73 D N 1.272 121.711 120.400 0.065 0.000 2.476 73 D HA 0.379 5.019 4.640 -0.000 0.000 0.251 73 D C -1.069 175.278 176.300 0.078 0.000 1.291 73 D CA -0.136 53.882 54.000 0.031 0.000 0.939 73 D CB 1.903 42.708 40.800 0.009 0.000 1.221 73 D HN 0.316 nan 8.370 nan 0.000 0.567 74 V N 1.485 121.469 119.914 0.116 0.000 2.575 74 V HA 0.667 4.787 4.120 -0.000 0.000 0.281 74 V C 0.364 176.641 176.094 0.304 0.000 1.087 74 V CA -0.708 61.714 62.300 0.203 0.000 1.193 74 V CB 0.310 32.287 31.823 0.257 0.000 1.426 74 V HN 0.495 nan 8.190 nan 0.000 0.623 75 A N 1.807 124.742 122.820 0.191 0.000 2.366 75 A HA 0.791 5.111 4.320 -0.000 0.000 0.249 75 A C -0.095 177.598 177.584 0.181 0.000 1.084 75 A CA -0.230 51.940 52.037 0.222 0.000 0.794 75 A CB 0.371 19.435 19.000 0.106 0.000 1.034 75 A HN 0.734 nan 8.150 nan 0.000 0.491 76 I N 1.531 122.174 120.570 0.121 0.000 2.382 76 I HA 0.135 4.305 4.170 -0.000 0.000 0.285 76 I C 1.120 177.219 176.117 -0.029 0.000 1.007 76 I CA -0.093 61.203 61.300 -0.007 0.000 1.142 76 I CB 1.938 39.826 38.000 -0.187 0.000 1.289 76 I HN 0.786 nan 8.210 nan 0.000 0.453 77 S N 3.982 119.673 115.700 -0.016 0.000 2.562 77 S HA 0.134 4.604 4.470 -0.000 0.000 0.221 77 S C 0.776 175.349 174.600 -0.045 0.000 0.975 77 S CA -0.041 58.148 58.200 -0.020 0.000 0.918 77 S CB 0.020 63.218 63.200 -0.003 0.000 0.772 77 S HN 0.592 nan 8.310 nan 0.000 0.531 78 Q N 1.230 120.991 119.800 -0.065 0.000 2.199 78 Q HA 0.363 4.703 4.340 -0.000 0.000 0.205 78 Q C -0.458 175.464 176.000 -0.130 0.000 1.001 78 Q CA -0.709 55.051 55.803 -0.071 0.000 1.019 78 Q CB 0.346 29.058 28.738 -0.043 0.000 1.132 78 Q HN 0.246 nan 8.270 nan 0.000 0.530 79 N N -0.645 117.996 118.700 -0.098 0.000 2.513 79 N HA 0.428 5.168 4.740 -0.000 0.000 0.274 79 N C -0.359 175.130 175.510 -0.034 0.000 1.189 79 N CA 0.833 53.811 53.050 -0.120 0.000 0.975 79 N CB 0.993 39.447 38.487 -0.054 0.000 1.157 79 N HN 0.715 nan 8.380 nan 0.000 0.465 80 G N 0.632 109.395 108.800 -0.062 0.000 2.640 80 G HA2 0.023 3.983 3.960 -0.000 0.000 0.686 80 G HA3 0.023 3.983 3.960 -0.000 0.000 0.686 80 G C -1.620 173.078 174.900 -0.337 0.000 1.229 80 G CA -0.883 44.223 45.100 0.011 0.000 0.796 80 G HN 0.340 nan 8.290 nan 0.000 0.654 81 F N 0.108 120.048 119.950 -0.016 0.000 2.563 81 F HA 0.769 5.296 4.527 -0.000 0.000 0.316 81 F C 0.489 176.277 175.800 -0.019 0.000 1.076 81 F CA -0.878 57.157 58.000 0.058 0.000 0.921 81 F CB 1.617 40.832 39.000 0.359 0.000 1.209 81 F HN 0.445 nan 8.300 nan 0.000 0.462 82 F N 1.395 121.571 119.950 0.376 0.000 2.450 82 F HA 0.338 4.865 4.527 -0.000 0.000 0.339 82 F C 0.616 176.601 175.800 0.309 0.000 1.146 82 F CA -0.341 57.822 58.000 0.271 0.000 1.267 82 F CB 0.496 39.671 39.000 0.292 0.000 1.178 82 F HN 0.266 nan 8.300 nan 0.000 0.585 83 R N 3.402 124.111 120.500 0.349 0.000 2.310 83 R HA 0.520 4.860 4.340 -0.000 0.000 0.324 83 R C -1.788 174.530 176.300 0.029 0.000 0.955 83 R CA -0.539 55.620 56.100 0.098 0.000 0.830 83 R CB 0.481 30.826 30.300 0.075 0.000 1.154 83 R HN 0.480 nan 8.270 nan 0.000 0.458 84 L N 4.784 125.997 121.223 -0.017 0.000 2.319 84 L HA 0.597 4.937 4.340 -0.000 0.000 0.267 84 L C -0.129 176.767 176.870 0.043 0.000 1.011 84 L CA -1.059 53.812 54.840 0.052 0.000 0.818 84 L CB 1.506 43.656 42.059 0.152 0.000 1.316 84 L HN 0.496 nan 8.230 nan 0.000 0.432 85 V N -1.752 118.204 119.914 0.071 0.000 2.823 85 V HA 0.698 4.818 4.120 -0.000 0.000 0.312 85 V C -0.579 175.603 176.094 0.147 0.000 1.072 85 V CA -0.937 61.425 62.300 0.102 0.000 0.937 85 V CB 1.930 33.767 31.823 0.023 0.000 1.013 85 V HN 0.842 nan 8.190 nan 0.000 0.430 86 D N 2.450 122.984 120.400 0.224 0.000 2.433 86 D HA 0.250 4.890 4.640 -0.000 0.000 0.255 86 D C 1.328 177.678 176.300 0.083 0.000 1.226 86 D CA 0.139 54.227 54.000 0.146 0.000 1.015 86 D CB 0.972 41.884 40.800 0.186 0.000 1.091 86 D HN 0.765 nan 8.370 nan 0.000 0.527 87 S N -1.102 114.630 115.700 0.053 0.000 2.515 87 S HA -0.128 4.342 4.470 -0.000 0.000 0.231 87 S C 0.982 175.602 174.600 0.033 0.000 0.987 87 S CA 0.443 58.663 58.200 0.032 0.000 0.936 87 S CB -0.861 62.351 63.200 0.020 0.000 0.766 87 S HN 0.567 nan 8.310 nan 0.000 0.528 88 N N 0.847 119.576 118.700 0.047 0.000 2.398 88 N HA 0.254 4.994 4.740 -0.000 0.000 0.188 88 N C 1.057 176.585 175.510 0.030 0.000 1.122 88 N CA 0.266 53.339 53.050 0.038 0.000 0.866 88 N CB 0.180 38.695 38.487 0.046 0.000 0.970 88 N HN 0.628 nan 8.380 nan 0.000 0.462 89 G N 0.441 109.260 108.800 0.033 0.000 2.175 89 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.244 89 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.244 89 G C 0.035 174.922 174.900 -0.021 0.000 0.982 89 G CA -0.155 44.950 45.100 0.008 0.000 0.641 89 G HN 0.285 nan 8.290 nan 0.000 0.527 90 S N -0.227 115.466 115.700 -0.011 0.000 2.562 90 S HA 0.497 4.967 4.470 -0.000 0.000 0.281 90 S C 0.549 174.962 174.600 -0.311 0.000 1.333 90 S CA -0.086 58.024 58.200 -0.151 0.000 1.052 90 S CB 2.061 65.195 63.200 -0.110 0.000 0.884 90 S HN 0.727 nan 8.310 nan 0.000 0.506 91 V N 4.170 123.769 119.914 -0.525 0.000 2.435 91 V HA 0.602 4.722 4.120 -0.000 0.000 0.290 91 V C -0.631 174.937 176.094 -0.877 0.000 1.030 91 V CA -0.421 61.584 62.300 -0.491 0.000 0.881 91 V CB 0.535 32.192 31.823 -0.277 0.000 0.983 91 V HN 0.733 nan 8.190 nan 0.000 0.445 92 F N 2.765 122.514 119.950 -0.335 0.000 2.664 92 F HA 0.769 5.296 4.527 -0.000 0.000 0.329 92 F C -0.825 174.625 175.800 -0.582 0.000 1.090 92 F CA -0.994 56.841 58.000 -0.276 0.000 0.978 92 F CB 1.899 40.865 39.000 -0.056 0.000 1.378 92 F HN 0.299 nan 8.300 nan 0.000 0.495 93 Y N -0.189 120.349 120.300 0.397 0.000 2.492 93 Y HA 0.618 5.168 4.550 -0.000 0.000 0.346 93 Y C -0.273 175.935 175.900 0.514 0.000 0.997 93 Y CA -0.895 57.434 58.100 0.381 0.000 1.025 93 Y CB 2.380 40.952 38.460 0.186 0.000 1.263 93 Y HN 0.520 nan 8.280 nan 0.000 0.454 94 S N 1.064 117.238 115.700 0.790 0.000 2.543 94 S HA 0.424 4.894 4.470 -0.000 0.000 0.274 94 S C -0.185 174.837 174.600 0.703 0.000 1.149 94 S CA -0.835 57.834 58.200 0.782 0.000 0.866 94 S CB 1.206 64.694 63.200 0.480 0.000 1.111 94 S HN 0.805 nan 8.310 nan 0.000 0.457 95 R N 1.356 122.168 120.500 0.520 0.000 2.275 95 R HA 0.151 4.491 4.340 -0.000 0.000 0.199 95 R C -0.169 176.329 176.300 0.331 0.000 0.989 95 R CA 0.032 56.276 56.100 0.239 0.000 1.016 95 R CB -0.194 30.118 30.300 0.020 0.000 0.918 95 R HN 0.464 nan 8.270 nan 0.000 0.473 96 N N 0.949 119.828 118.700 0.298 0.000 2.411 96 N HA -0.021 4.719 4.740 -0.000 0.000 0.261 96 N C 0.496 176.048 175.510 0.069 0.000 1.248 96 N CA 0.487 53.617 53.050 0.134 0.000 0.885 96 N CB 1.149 39.653 38.487 0.030 0.000 1.062 96 N HN 0.226 nan 8.380 nan 0.000 0.471 97 G N 1.357 110.133 108.800 -0.040 0.000 4.098 97 G HA2 0.083 4.043 3.960 -0.000 0.000 0.300 97 G HA3 0.083 4.043 3.960 -0.000 0.000 0.300 97 G C -0.267 174.234 174.900 -0.666 0.000 1.187 97 G CA -0.263 44.665 45.100 -0.287 0.000 0.964 97 G HN 0.356 nan 8.290 nan 0.000 0.559 98 Q N 0.631 119.950 119.800 -0.803 0.000 2.390 98 Q HA 0.595 4.935 4.340 -0.000 0.000 0.249 98 Q C -1.063 174.453 176.000 -0.806 0.000 0.996 98 Q CA -0.129 55.332 55.803 -0.570 0.000 0.899 98 Q CB 1.200 29.762 28.738 -0.292 0.000 1.216 98 Q HN 0.283 nan 8.270 nan 0.000 0.465 99 F N 0.619 120.526 119.950 -0.072 0.000 2.563 99 F HA 0.565 5.092 4.527 -0.000 0.000 0.316 99 F C 0.214 175.985 175.800 -0.048 0.000 1.076 99 F CA -0.972 56.980 58.000 -0.080 0.000 0.921 99 F CB 1.787 40.714 39.000 -0.122 0.000 1.209 99 F HN 0.112 nan 8.300 nan 0.000 0.462 100 K N 1.804 122.291 120.400 0.146 0.000 2.259 100 K HA 0.574 4.894 4.320 -0.000 0.000 0.249 100 K C -1.536 175.094 176.600 0.050 0.000 0.942 100 K CA -1.159 55.172 56.287 0.074 0.000 0.816 100 K CB 2.620 35.141 32.500 0.035 0.000 1.155 100 K HN 0.420 nan 8.250 nan 0.000 0.428 101 L N 4.299 125.531 121.223 0.014 0.000 2.295 101 L HA 0.121 4.461 4.340 -0.000 0.000 0.288 101 L C -0.324 176.535 176.870 -0.018 0.000 1.079 101 L CA 0.015 54.840 54.840 -0.026 0.000 0.830 101 L CB -0.207 41.811 42.059 -0.068 0.000 1.200 101 L HN 0.616 nan 8.230 nan 0.000 0.438 102 D N 2.434 122.824 120.400 -0.017 0.000 2.478 102 D HA 0.055 4.695 4.640 -0.000 0.000 0.269 102 D C 0.549 176.838 176.300 -0.018 0.000 1.232 102 D CA -0.151 53.842 54.000 -0.013 0.000 1.059 102 D CB 0.451 41.247 40.800 -0.007 0.000 1.104 102 D HN 0.583 nan 8.370 nan 0.000 0.566 103 E N -1.130 119.062 120.200 -0.014 0.000 2.204 103 E HA -0.099 4.251 4.350 -0.000 0.000 0.194 103 E C 1.074 177.665 176.600 -0.016 0.000 0.989 103 E CA 0.544 56.936 56.400 -0.014 0.000 0.824 103 E CB -0.096 29.598 29.700 -0.010 0.000 0.756 103 E HN 0.343 nan 8.360 nan 0.000 0.477 104 N N 0.706 119.397 118.700 -0.017 0.000 2.521 104 N HA -0.024 4.716 4.740 -0.000 0.000 0.188 104 N C -0.089 175.406 175.510 -0.026 0.000 1.146 104 N CA 0.322 53.362 53.050 -0.018 0.000 0.893 104 N CB 0.250 38.727 38.487 -0.015 0.000 0.975 104 N HN 0.081 nan 8.380 nan 0.000 0.451 105 R N -0.684 119.797 120.500 -0.033 0.000 3.872 105 R HA -0.147 4.193 4.340 -0.000 0.000 0.341 105 R C -0.839 175.425 176.300 -0.060 0.000 1.172 105 R CA 0.357 56.429 56.100 -0.048 0.000 0.901 105 R CB -2.711 27.562 30.300 -0.044 0.000 1.422 105 R HN 0.473 nan 8.270 nan 0.000 0.523 106 N N 0.461 119.130 118.700 -0.053 0.000 2.495 106 N HA 0.484 5.224 4.740 -0.000 0.000 0.280 106 N C -0.061 175.406 175.510 -0.072 0.000 1.168 106 N CA -0.675 52.335 53.050 -0.066 0.000 0.978 106 N CB 0.896 39.355 38.487 -0.047 0.000 1.191 106 N HN -0.007 nan 8.380 nan 0.000 0.497 107 L N 1.948 123.102 121.223 -0.115 0.000 2.255 107 L HA 0.406 4.746 4.340 -0.000 0.000 0.289 107 L C -0.395 176.455 176.870 -0.034 0.000 1.046 107 L CA -0.789 53.980 54.840 -0.118 0.000 0.816 107 L CB 0.426 42.293 42.059 -0.320 0.000 1.197 107 L HN 0.319 nan 8.230 nan 0.000 0.427 108 V N 0.238 120.217 119.914 0.108 0.000 2.715 108 V HA 0.613 4.733 4.120 -0.000 0.000 0.310 108 V C -0.168 176.068 176.094 0.237 0.000 1.054 108 V CA -0.957 61.431 62.300 0.147 0.000 0.928 108 V CB 1.737 33.594 31.823 0.057 0.000 1.007 108 V HN 0.784 nan 8.190 nan 0.000 0.437 109 N N 3.184 121.993 118.700 0.182 0.000 2.366 109 N HA 0.226 4.966 4.740 -0.000 0.000 0.277 109 N C 0.728 176.228 175.510 -0.017 0.000 1.275 109 N CA -0.412 52.652 53.050 0.023 0.000 0.964 109 N CB 0.434 38.919 38.487 -0.003 0.000 1.167 109 N HN 0.825 nan 8.380 nan 0.000 0.568 110 M N -1.173 118.392 119.600 -0.059 0.000 2.374 110 M HA -0.060 4.420 4.480 -0.000 0.000 0.264 110 M C 0.747 177.019 176.300 -0.047 0.000 1.067 110 M CA 1.337 56.606 55.300 -0.053 0.000 1.103 110 M CB -0.106 32.455 32.600 -0.065 0.000 1.402 110 M HN 0.550 nan 8.290 nan 0.000 0.444 111 Q N -0.704 119.063 119.800 -0.055 0.000 2.403 111 Q HA 0.196 4.536 4.340 -0.000 0.000 0.203 111 Q C 1.040 177.013 176.000 -0.046 0.000 0.932 111 Q CA 0.681 56.445 55.803 -0.064 0.000 0.945 111 Q CB 0.385 29.061 28.738 -0.103 0.000 1.045 111 Q HN 0.661 nan 8.270 nan 0.000 0.511 112 G N 0.229 109.016 108.800 -0.022 0.000 2.159 112 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.256 112 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.256 112 G C 0.092 174.996 174.900 0.005 0.000 0.977 112 G CA 0.003 45.100 45.100 -0.006 0.000 0.652 112 G HN 0.253 nan 8.290 nan 0.000 0.531 113 M N 0.363 119.968 119.600 0.008 0.000 2.243 113 M HA 0.348 4.828 4.480 -0.000 0.000 0.341 113 M C 0.713 177.048 176.300 0.058 0.000 1.130 113 M CA 0.398 55.718 55.300 0.033 0.000 1.162 113 M CB 0.646 33.263 32.600 0.028 0.000 1.497 113 M HN 0.236 nan 8.290 nan 0.000 0.456 114 Q N 2.080 121.905 119.800 0.041 0.000 2.278 114 Q HA 0.415 4.755 4.340 -0.000 0.000 0.257 114 Q C -1.032 174.950 176.000 -0.029 0.000 0.928 114 Q CA -0.803 55.001 55.803 0.001 0.000 0.932 114 Q CB 1.654 30.384 28.738 -0.013 0.000 1.221 114 Q HN 0.459 nan 8.270 nan 0.000 0.434 115 L N 2.968 124.117 121.223 -0.123 0.000 2.453 115 L HA 0.168 4.508 4.340 -0.000 0.000 0.272 115 L C -0.072 176.695 176.870 -0.172 0.000 1.182 115 L CA 0.830 55.532 54.840 -0.230 0.000 0.858 115 L CB 0.741 42.399 42.059 -0.668 0.000 1.120 115 L HN 0.765 nan 8.230 nan 0.000 0.474 116 T N 1.655 116.135 114.554 -0.123 0.000 2.942 116 T HA 0.991 5.341 4.350 -0.000 0.000 0.289 116 T C -0.143 174.465 174.700 -0.153 0.000 1.044 116 T CA -0.205 61.824 62.100 -0.117 0.000 1.023 116 T CB 1.816 70.631 68.868 -0.089 0.000 1.123 116 T HN 1.022 nan 8.240 nan 0.000 0.512 117 G N -0.148 108.541 108.800 -0.184 0.000 2.441 117 G HA2 0.464 4.424 3.960 -0.000 0.000 0.294 117 G HA3 0.464 4.424 3.960 -0.000 0.000 0.294 117 G C -1.977 172.778 174.900 -0.241 0.000 1.393 117 G CA -1.049 43.876 45.100 -0.291 0.000 0.796 117 G HN 0.676 nan 8.290 nan 0.000 0.494 118 Y N 1.474 121.770 120.300 -0.006 0.000 2.442 118 Y HA 0.370 4.920 4.550 -0.000 0.000 0.330 118 Y C -1.279 174.616 175.900 -0.008 0.000 1.129 118 Y CA -1.601 56.496 58.100 -0.004 0.000 1.365 118 Y CB 0.266 38.726 38.460 0.001 0.000 1.233 118 Y HN 0.248 nan 8.280 nan 0.000 0.529 119 P HA 0.284 nan 4.420 nan 0.000 0.274 119 P C -0.998 176.346 177.300 0.073 0.000 1.246 119 P CA -0.457 62.690 63.100 0.078 0.000 0.795 119 P CB 1.017 32.750 31.700 0.055 0.000 1.006 120 A N 1.409 124.256 122.820 0.044 0.000 2.301 120 A HA 0.682 5.002 4.320 -0.000 0.000 0.312 120 A C 0.283 177.879 177.584 0.021 0.000 1.182 120 A CA -0.171 51.886 52.037 0.033 0.000 0.826 120 A CB 0.139 19.156 19.000 0.029 0.000 1.134 120 A HN 0.646 nan 8.150 nan 0.000 0.501 121 T N -1.045 113.517 114.554 0.014 0.000 2.883 121 T HA 0.873 5.223 4.350 -0.000 0.000 0.296 121 T C 0.234 174.935 174.700 0.002 0.000 1.117 121 T CA -0.106 61.998 62.100 0.007 0.000 1.006 121 T CB 1.264 70.135 68.868 0.005 0.000 1.191 121 T HN 2.608 nan 8.240 nan 0.000 0.508 122 G N 0.324 109.123 108.800 -0.002 0.000 2.757 122 G HA2 0.217 4.177 3.960 -0.000 0.000 0.638 122 G HA3 0.217 4.177 3.960 -0.000 0.000 0.638 122 G C -0.628 174.268 174.900 -0.007 0.000 1.344 122 G CA -0.440 44.657 45.100 -0.004 0.000 0.855 122 G HN 1.295 nan 8.290 nan 0.000 0.537 123 T N 2.621 117.170 114.554 -0.009 0.000 2.965 123 T HA 0.607 4.957 4.350 -0.000 0.000 0.306 123 T C -2.114 172.579 174.700 -0.011 0.000 0.991 123 T CA -0.441 61.652 62.100 -0.013 0.000 1.001 123 T CB 1.579 70.437 68.868 -0.015 0.000 0.984 123 T HN 0.731 nan 8.240 nan 0.000 0.446 124 P HA 0.412 nan 4.420 nan 0.000 0.275 124 P C -2.706 174.590 177.300 -0.006 0.000 1.228 124 P CA -1.496 61.597 63.100 -0.012 0.000 0.786 124 P CB -0.194 31.500 31.700 -0.009 0.000 0.927 125 P HA 0.099 nan 4.420 nan 0.000 0.265 125 P C -0.389 176.917 177.300 0.009 0.000 1.193 125 P CA 0.176 63.277 63.100 0.002 0.000 0.765 125 P CB 0.353 32.056 31.700 0.005 0.000 0.823 126 T N -0.306 114.253 114.554 0.009 0.000 2.864 126 T HA 0.581 4.931 4.350 -0.000 0.000 0.299 126 T C -0.444 174.263 174.700 0.013 0.000 1.166 126 T CA -0.872 61.235 62.100 0.011 0.000 1.007 126 T CB 0.977 69.847 68.868 0.003 0.000 1.219 126 T HN 0.044 nan 8.240 nan 0.000 0.506 127 I N 3.155 123.734 120.570 0.015 0.000 2.297 127 I HA 0.223 4.393 4.170 -0.000 0.000 0.291 127 I C 0.919 177.014 176.117 -0.038 0.000 1.033 127 I CA -0.530 60.776 61.300 0.010 0.000 1.253 127 I CB 0.904 38.927 38.000 0.038 0.000 1.396 127 I HN 0.800 nan 8.210 nan 0.000 0.476 128 Q N 6.587 126.348 119.800 -0.064 0.000 2.340 128 Q HA 0.142 4.482 4.340 -0.000 0.000 0.249 128 Q C 0.294 176.167 176.000 -0.211 0.000 0.957 128 Q CA -0.419 55.322 55.803 -0.104 0.000 0.882 128 Q CB 0.992 29.682 28.738 -0.080 0.000 1.235 128 Q HN 0.700 nan 8.270 nan 0.000 0.439 129 Q N 1.562 121.257 119.800 -0.176 0.000 2.364 129 Q HA 0.042 4.382 4.340 -0.000 0.000 0.207 129 Q C 1.173 177.037 176.000 -0.226 0.000 0.970 129 Q CA 1.218 56.886 55.803 -0.224 0.000 0.888 129 Q CB -0.121 28.541 28.738 -0.125 0.000 0.951 129 Q HN 0.856 nan 8.270 nan 0.000 0.469 130 G N 0.413 109.118 108.800 -0.158 0.000 3.383 130 G HA2 0.445 4.405 3.960 -0.000 0.000 0.251 130 G HA3 0.445 4.405 3.960 -0.000 0.000 0.251 130 G C -0.097 174.755 174.900 -0.079 0.000 1.203 130 G CA 0.048 45.087 45.100 -0.101 0.000 0.852 130 G HN 0.402 nan 8.290 nan 0.000 0.531 131 A N 0.059 122.795 122.820 -0.141 0.000 2.303 131 A HA 0.587 4.907 4.320 -0.000 0.000 0.317 131 A C -0.089 177.606 177.584 0.185 0.000 1.149 131 A CA -0.754 51.287 52.037 0.006 0.000 0.822 131 A CB 0.650 19.661 19.000 0.018 0.000 1.131 131 A HN 0.321 nan 8.150 nan 0.000 0.493 132 N N 2.197 120.997 118.700 0.165 0.000 2.458 132 N HA 0.353 5.093 4.740 -0.000 0.000 0.270 132 N C -2.396 173.215 175.510 0.169 0.000 1.102 132 N CA -1.483 51.662 53.050 0.157 0.000 0.967 132 N CB 0.845 39.382 38.487 0.082 0.000 1.078 132 N HN 0.403 nan 8.380 nan 0.000 0.471 133 P HA 0.115 nan 4.420 nan 0.000 0.268 133 P C -1.450 175.837 177.300 -0.022 0.000 1.205 133 P CA -0.127 62.942 63.100 -0.052 0.000 0.771 133 P CB 1.173 32.785 31.700 -0.146 0.000 0.858 134 A N 4.016 126.813 122.820 -0.038 0.000 2.594 134 A HA 0.698 5.018 4.320 -0.000 0.000 0.291 134 A C -2.925 174.630 177.584 -0.048 0.000 1.105 134 A CA -2.024 49.998 52.037 -0.026 0.000 0.694 134 A CB 0.682 19.680 19.000 -0.003 0.000 1.291 134 A HN 0.251 nan 8.150 nan 0.000 0.410 135 P HA 0.064 nan 4.420 nan 0.000 0.261 135 P C -0.236 177.024 177.300 -0.067 0.000 1.183 135 P CA 0.214 63.280 63.100 -0.057 0.000 0.761 135 P CB 0.036 31.712 31.700 -0.040 0.000 0.785 136 I N 3.308 123.818 120.570 -0.099 0.000 2.683 136 I HA 0.018 4.188 4.170 -0.000 0.000 0.286 136 I C 1.131 177.195 176.117 -0.088 0.000 1.175 136 I CA 0.877 62.115 61.300 -0.103 0.000 1.429 136 I CB -0.315 37.591 38.000 -0.156 0.000 1.371 136 I HN 0.370 nan 8.210 nan 0.000 0.569 137 T N 4.756 119.270 114.554 -0.067 0.000 2.856 137 T HA 0.731 5.081 4.350 -0.000 0.000 0.283 137 T C -0.190 174.468 174.700 -0.070 0.000 1.008 137 T CA -0.709 61.353 62.100 -0.063 0.000 0.997 137 T CB 1.937 70.781 68.868 -0.041 0.000 0.992 137 T HN 0.335 nan 8.240 nan 0.000 0.454 138 I N 3.416 123.935 120.570 -0.085 0.000 2.621 138 I HA 0.297 4.467 4.170 -0.000 0.000 0.276 138 I C -2.444 173.632 176.117 -0.069 0.000 1.118 138 I CA -2.447 58.794 61.300 -0.097 0.000 1.159 138 I CB 1.184 39.078 38.000 -0.176 0.000 1.357 138 I HN 0.395 nan 8.210 nan 0.000 0.513 139 P HA 0.093 nan 4.420 nan 0.000 0.272 139 P C -0.060 177.235 177.300 -0.009 0.000 1.254 139 P CA -0.017 63.072 63.100 -0.019 0.000 0.795 139 P CB 0.507 32.204 31.700 -0.006 0.000 1.022 140 N N -3.004 115.689 118.700 -0.011 0.000 2.184 140 N HA 0.021 4.761 4.740 -0.000 0.000 0.206 140 N C 0.019 175.533 175.510 0.008 0.000 1.151 140 N CA -0.079 52.967 53.050 -0.007 0.000 0.878 140 N CB -0.910 37.566 38.487 -0.018 0.000 1.014 140 N HN 0.342 nan 8.380 nan 0.000 0.512 141 T N 0.633 115.192 114.554 0.009 0.000 2.932 141 T HA 0.211 4.561 4.350 -0.000 0.000 0.312 141 T C 0.538 175.252 174.700 0.023 0.000 1.071 141 T CA -0.579 61.528 62.100 0.012 0.000 1.128 141 T CB 0.208 69.080 68.868 0.006 0.000 0.984 141 T HN 0.161 nan 8.240 nan 0.000 0.549 142 L N 3.038 124.274 121.223 0.022 0.000 2.444 142 L HA 0.330 4.670 4.340 -0.000 0.000 0.251 142 L C 0.879 177.765 176.870 0.026 0.000 1.247 142 L CA -0.417 54.441 54.840 0.031 0.000 0.825 142 L CB 0.099 42.173 42.059 0.025 0.000 1.129 142 L HN 0.709 nan 8.230 nan 0.000 0.527 143 M N -0.373 119.247 119.600 0.033 0.000 2.716 143 M HA 0.610 5.090 4.480 -0.000 0.000 0.307 143 M C -0.364 175.949 176.300 0.021 0.000 1.223 143 M CA -0.489 54.822 55.300 0.017 0.000 0.871 143 M CB 2.135 34.742 32.600 0.012 0.000 1.739 143 M HN 0.684 nan 8.290 nan 0.000 0.475 144 A N 1.234 124.057 122.820 0.004 0.000 2.275 144 A HA 0.796 5.116 4.320 -0.000 0.000 0.282 144 A C 0.017 177.599 177.584 -0.002 0.000 1.275 144 A CA -0.021 52.015 52.037 -0.001 0.000 0.842 144 A CB -0.310 18.680 19.000 -0.017 0.000 1.280 144 A HN 0.959 nan 8.150 nan 0.000 0.508 145 A N -0.929 121.876 122.820 -0.024 0.000 2.251 145 A HA 0.600 4.920 4.320 -0.000 0.000 0.278 145 A C 0.111 177.596 177.584 -0.165 0.000 1.206 145 A CA 0.069 52.068 52.037 -0.063 0.000 0.822 145 A CB 0.109 19.084 19.000 -0.042 0.000 1.187 145 A HN 0.636 nan 8.150 nan 0.000 0.504 146 K N -0.018 120.199 120.400 -0.306 0.000 2.675 146 K HA 0.369 4.689 4.320 -0.000 0.000 0.224 146 K C -0.568 175.849 176.600 -0.306 0.000 1.003 146 K CA 0.078 56.085 56.287 -0.468 0.000 1.034 146 K CB 0.943 32.699 32.500 -1.241 0.000 1.218 146 K HN 0.592 nan 8.250 nan 0.000 0.507 147 S N 2.024 117.631 115.700 -0.155 0.000 2.549 147 S HA 0.141 4.611 4.470 -0.000 0.000 0.283 147 S C -0.244 174.305 174.600 -0.085 0.000 1.320 147 S CA 0.040 58.196 58.200 -0.074 0.000 1.058 147 S CB 0.247 63.420 63.200 -0.045 0.000 0.882 147 S HN 0.591 nan 8.310 nan 0.000 0.498 148 T N 3.647 118.164 114.554 -0.061 0.000 2.870 148 T HA 0.231 4.581 4.350 -0.000 0.000 0.300 148 T C 1.415 176.113 174.700 -0.003 0.000 0.989 148 T CA 0.152 62.201 62.100 -0.085 0.000 1.139 148 T CB 0.806 69.537 68.868 -0.228 0.000 0.920 148 T HN 0.844 nan 8.240 nan 0.000 0.537 149 T N -1.386 113.177 114.554 0.017 0.000 2.975 149 T HA 0.232 4.582 4.350 -0.000 0.000 0.257 149 T C 0.738 175.512 174.700 0.123 0.000 1.003 149 T CA -0.148 62.006 62.100 0.090 0.000 0.932 149 T CB 0.254 69.142 68.868 0.034 0.000 1.087 149 T HN 0.678 nan 8.240 nan 0.000 0.512 150 T N -0.344 114.251 114.554 0.067 0.000 2.903 150 T HA 0.852 5.202 4.350 -0.000 0.000 0.299 150 T C -0.971 173.728 174.700 -0.000 0.000 1.093 150 T CA -0.550 61.596 62.100 0.075 0.000 1.002 150 T CB 2.050 70.938 68.868 0.032 0.000 1.127 150 T HN 0.629 nan 8.240 nan 0.000 0.488 151 A N 1.431 124.275 122.820 0.040 0.000 2.606 151 A HA 0.949 5.269 4.320 -0.000 0.000 0.293 151 A C -0.444 177.103 177.584 -0.061 0.000 1.082 151 A CA -0.683 51.315 52.037 -0.064 0.000 0.685 151 A CB 1.501 20.383 19.000 -0.195 0.000 1.284 151 A HN 1.880 nan 8.150 nan 0.000 0.408 152 S N 0.177 115.817 115.700 -0.100 0.000 2.564 152 S HA 0.826 5.296 4.470 -0.000 0.000 0.274 152 S C -0.744 173.775 174.600 -0.136 0.000 1.124 152 S CA -0.541 57.574 58.200 -0.142 0.000 0.869 152 S CB 1.688 64.841 63.200 -0.077 0.000 1.105 152 S HN 1.374 nan 8.310 nan 0.000 0.472 153 M N 2.442 121.937 119.600 -0.175 0.000 2.224 153 M HA 0.383 4.863 4.480 -0.000 0.000 0.281 153 M C -1.743 174.612 176.300 0.091 0.000 1.025 153 M CA -0.167 55.122 55.300 -0.019 0.000 0.954 153 M CB 2.045 34.683 32.600 0.064 0.000 1.639 153 M HN 0.948 nan 8.290 nan 0.000 0.461 154 Q N 5.307 125.153 119.800 0.077 0.000 2.347 154 Q HA 0.610 4.950 4.340 -0.000 0.000 0.262 154 Q C -1.899 174.127 176.000 0.043 0.000 0.980 154 Q CA -0.393 55.460 55.803 0.083 0.000 0.867 154 Q CB 1.693 30.455 28.738 0.040 0.000 1.242 154 Q HN 0.889 nan 8.270 nan 0.000 0.453 155 I N 3.576 124.158 120.570 0.020 0.000 2.608 155 I HA 0.419 4.589 4.170 -0.000 0.000 0.295 155 I C -1.380 174.622 176.117 -0.191 0.000 1.049 155 I CA -0.922 60.292 61.300 -0.143 0.000 1.063 155 I CB 1.958 39.742 38.000 -0.360 0.000 1.248 155 I HN 0.600 nan 8.210 nan 0.000 0.424 156 N N 7.853 126.415 118.700 -0.231 0.000 2.437 156 N HA 0.481 5.221 4.740 -0.000 0.000 0.259 156 N C -1.221 174.061 175.510 -0.380 0.000 0.983 156 N CA -0.207 52.688 53.050 -0.259 0.000 0.937 156 N CB 1.725 40.112 38.487 -0.167 0.000 1.122 156 N HN 0.471 nan 8.380 nan 0.000 0.499 157 L N 1.688 122.584 121.223 -0.545 0.000 2.331 157 L HA 0.396 4.736 4.340 -0.000 0.000 0.275 157 L C 0.447 177.085 176.870 -0.387 0.000 1.022 157 L CA -0.988 53.431 54.840 -0.702 0.000 0.812 157 L CB 1.318 42.522 42.059 -1.425 0.000 1.257 157 L HN 0.389 nan 8.230 nan 0.000 0.435 158 N N 0.163 118.773 118.700 -0.150 0.000 2.420 158 N HA 0.046 4.786 4.740 -0.000 0.000 0.249 158 N C 0.915 176.534 175.510 0.182 0.000 1.033 158 N CA -0.006 53.056 53.050 0.019 0.000 0.944 158 N CB 1.331 39.850 38.487 0.054 0.000 1.113 158 N HN 0.606 nan 8.380 nan 0.000 0.502 159 S N 1.685 117.445 115.700 0.099 0.000 2.419 159 S HA -0.187 4.283 4.470 -0.000 0.000 0.235 159 S C 1.498 176.156 174.600 0.097 0.000 1.019 159 S CA 1.635 59.913 58.200 0.131 0.000 0.982 159 S CB -0.878 62.356 63.200 0.057 0.000 0.789 159 S HN 0.685 nan 8.310 nan 0.000 0.490 160 T N -1.811 112.787 114.554 0.073 0.000 3.148 160 T HA 0.188 4.538 4.350 -0.000 0.000 0.253 160 T C 0.120 174.851 174.700 0.051 0.000 1.134 160 T CA -0.129 61.998 62.100 0.045 0.000 1.051 160 T CB -0.644 68.241 68.868 0.029 0.000 0.959 160 T HN 0.230 nan 8.240 nan 0.000 0.525 161 D N 3.813 124.272 120.400 0.099 0.000 2.449 161 D HA 0.219 4.859 4.640 -0.000 0.000 0.236 161 D C -2.058 174.245 176.300 0.006 0.000 1.149 161 D CA -1.083 52.975 54.000 0.095 0.000 0.878 161 D CB 0.732 41.676 40.800 0.242 0.000 1.198 161 D HN 0.237 nan 8.370 nan 0.000 0.446 162 P HA 0.087 nan 4.420 nan 0.000 0.277 162 P C -0.756 176.505 177.300 -0.065 0.000 1.240 162 P CA -0.514 62.569 63.100 -0.028 0.000 0.798 162 P CB 0.722 32.418 31.700 -0.006 0.000 0.979 163 V N 4.360 124.225 119.914 -0.081 0.000 2.470 163 V HA 0.102 4.222 4.120 -0.000 0.000 0.276 163 V C -1.767 174.309 176.094 -0.030 0.000 1.040 163 V CA -1.089 61.162 62.300 -0.083 0.000 1.008 163 V CB -0.208 31.565 31.823 -0.082 0.000 0.990 163 V HN 0.580 nan 8.190 nan 0.000 0.477 164 P HA 0.067 nan 4.420 nan 0.000 0.265 164 P C 0.783 178.088 177.300 0.008 0.000 1.193 164 P CA 0.163 63.272 63.100 0.015 0.000 0.765 164 P CB 0.614 32.346 31.700 0.052 0.000 0.823 165 S N 2.141 117.841 115.700 -0.001 0.000 2.406 165 S HA -0.000 4.470 4.470 -0.000 0.000 0.224 165 S C 0.978 175.578 174.600 -0.001 0.000 1.030 165 S CA 0.433 58.631 58.200 -0.003 0.000 0.958 165 S CB -0.289 62.906 63.200 -0.008 0.000 0.811 165 S HN 0.216 nan 8.310 nan 0.000 0.489 166 K N 4.033 124.431 120.400 -0.004 0.000 2.419 166 K HA 0.176 4.496 4.320 -0.000 0.000 0.282 166 K C -0.049 176.555 176.600 0.007 0.000 1.056 166 K CA 0.456 56.738 56.287 -0.008 0.000 1.035 166 K CB 0.002 32.488 32.500 -0.023 0.000 0.921 166 K HN 0.628 nan 8.250 nan 0.000 0.472 167 T N 2.332 116.888 114.554 0.002 0.000 2.942 167 T HA 0.679 5.029 4.350 -0.000 0.000 0.289 167 T C -2.257 172.433 174.700 -0.016 0.000 1.044 167 T CA -1.788 60.318 62.100 0.009 0.000 1.023 167 T CB 1.551 70.429 68.868 0.017 0.000 1.123 167 T HN 0.236 nan 8.240 nan 0.000 0.512 168 P HA 0.413 nan 4.420 nan 0.000 0.282 168 P C -0.658 176.633 177.300 -0.015 0.000 1.287 168 P CA -1.009 62.090 63.100 -0.001 0.000 0.792 168 P CB 0.184 31.875 31.700 -0.014 0.000 1.163 169 F N 0.710 120.576 119.950 -0.140 0.000 2.608 169 F HA 0.318 4.845 4.527 -0.000 0.000 0.380 169 F C 0.251 175.885 175.800 -0.276 0.000 1.083 169 F CA 0.625 58.479 58.000 -0.244 0.000 1.266 169 F CB 0.028 38.702 39.000 -0.544 0.000 1.076 169 F HN 0.156 nan 8.300 nan 0.000 0.574 170 S N 5.375 120.335 115.700 -1.233 0.000 2.572 170 S HA 0.402 4.872 4.470 -0.000 0.000 0.274 170 S C 0.475 174.365 174.600 -1.184 0.000 1.150 170 S CA -0.334 57.202 58.200 -1.107 0.000 0.944 170 S CB 1.102 64.008 63.200 -0.490 0.000 1.071 170 S HN 1.139 nan 8.310 nan 0.000 0.479 171 V N 3.151 122.379 119.914 -1.142 0.000 2.688 171 V HA -0.006 4.114 4.120 -0.000 0.000 0.256 171 V C 1.497 177.437 176.094 -0.256 0.000 1.084 171 V CA 2.201 64.017 62.300 -0.806 0.000 1.103 171 V CB -1.076 30.400 31.823 -0.578 0.000 0.688 171 V HN 0.722 nan 8.190 nan 0.000 0.480 172 S N -0.321 115.240 115.700 -0.230 0.000 2.528 172 S HA 0.115 4.585 4.470 -0.000 0.000 0.219 172 S C 0.635 175.211 174.600 -0.039 0.000 0.985 172 S CA 0.507 58.657 58.200 -0.083 0.000 0.914 172 S CB -0.185 62.955 63.200 -0.101 0.000 0.776 172 S HN 0.730 nan 8.310 nan 0.000 0.526 173 D N 1.221 121.579 120.400 -0.070 0.000 2.454 173 D HA 0.582 5.222 4.640 -0.000 0.000 0.225 173 D C 0.592 176.851 176.300 -0.068 0.000 1.081 173 D CA -0.348 53.614 54.000 -0.064 0.000 0.864 173 D CB 1.071 41.807 40.800 -0.107 0.000 1.040 173 D HN 0.056 nan 8.370 nan 0.000 0.517 174 A N 3.446 126.209 122.820 -0.094 0.000 2.168 174 A HA -0.095 4.225 4.320 -0.000 0.000 0.215 174 A C 1.171 178.480 177.584 -0.458 0.000 1.152 174 A CA 0.908 52.773 52.037 -0.287 0.000 0.716 174 A CB -0.088 18.860 19.000 -0.086 0.000 0.794 174 A HN 0.573 nan 8.150 nan 0.000 0.465 175 D N -0.974 119.275 120.400 -0.250 0.000 2.388 175 D HA 0.023 4.663 4.640 -0.000 0.000 0.221 175 D C 1.120 177.343 176.300 -0.129 0.000 1.133 175 D CA 0.754 54.643 54.000 -0.185 0.000 0.831 175 D CB -0.473 40.270 40.800 -0.095 0.000 0.962 175 D HN 0.347 nan 8.370 nan 0.000 0.502 176 S N -1.050 114.571 115.700 -0.133 0.000 2.556 176 S HA 0.159 4.629 4.470 -0.000 0.000 0.216 176 S C 0.189 174.952 174.600 0.272 0.000 0.970 176 S CA -0.589 57.643 58.200 0.053 0.000 0.912 176 S CB -0.670 62.556 63.200 0.044 0.000 0.790 176 S HN 0.432 nan 8.310 nan 0.000 0.504 177 Y N -1.082 119.369 120.300 0.251 0.000 2.609 177 Y HA 0.739 5.289 4.550 -0.000 0.000 0.342 177 Y C 0.215 176.287 175.900 0.287 0.000 1.058 177 Y CA -1.443 56.853 58.100 0.327 0.000 1.055 177 Y CB 0.221 38.986 38.460 0.509 0.000 1.292 177 Y HN -0.188 nan 8.280 nan 0.000 0.476 178 N N 0.154 119.176 118.700 0.536 0.000 2.405 178 N HA 0.131 4.871 4.740 -0.000 0.000 0.175 178 N C -0.760 175.019 175.510 0.449 0.000 1.051 178 N CA 0.403 53.711 53.050 0.429 0.000 0.899 178 N CB 0.350 39.167 38.487 0.550 0.000 1.000 178 N HN 0.516 nan 8.380 nan 0.000 0.451 179 K N -0.009 120.774 120.400 0.638 0.000 2.598 179 K HA 0.307 4.627 4.320 -0.000 0.000 0.271 179 K C -2.059 174.856 176.600 0.526 0.000 0.947 179 K CA -0.713 55.862 56.287 0.479 0.000 0.854 179 K CB 1.392 34.016 32.500 0.206 0.000 1.401 179 K HN -0.118 nan 8.250 nan 0.000 0.415 180 K N 1.850 122.440 120.400 0.318 0.000 2.378 180 K HA 0.802 5.122 4.320 -0.000 0.000 0.252 180 K C -0.872 175.748 176.600 0.034 0.000 0.931 180 K CA -0.738 55.542 56.287 -0.011 0.000 0.794 180 K CB 1.765 34.168 32.500 -0.162 0.000 1.181 180 K HN 0.706 nan 8.250 nan 0.000 0.425 181 G N 0.999 109.799 108.800 0.000 0.000 2.730 181 G HA2 0.609 4.569 3.960 -0.000 0.000 0.289 181 G HA3 0.609 4.569 3.960 -0.000 0.000 0.289 181 G C -1.346 173.541 174.900 -0.022 0.000 1.341 181 G CA -0.523 44.604 45.100 0.045 0.000 0.932 181 G HN 0.479 nan 8.290 nan 0.000 0.481 182 T N -0.706 113.851 114.554 0.005 0.000 2.893 182 T HA 0.622 4.972 4.350 -0.000 0.000 0.293 182 T C -1.343 173.355 174.700 -0.003 0.000 1.027 182 T CA -0.487 61.608 62.100 -0.009 0.000 0.988 182 T CB 1.905 70.766 68.868 -0.011 0.000 1.043 182 T HN 0.884 nan 8.240 nan 0.000 0.461 183 V N 2.416 122.317 119.914 -0.021 0.000 2.668 183 V HA 0.588 4.708 4.120 -0.000 0.000 0.304 183 V C -0.707 175.321 176.094 -0.109 0.000 1.071 183 V CA -0.338 61.927 62.300 -0.059 0.000 0.894 183 V CB 2.197 33.977 31.823 -0.072 0.000 1.008 183 V HN 0.968 nan 8.190 nan 0.000 0.425 184 T N 6.790 121.264 114.554 -0.134 0.000 2.743 184 T HA 0.546 4.896 4.350 -0.000 0.000 0.293 184 T C -0.085 174.388 174.700 -0.379 0.000 0.945 184 T CA 0.087 62.049 62.100 -0.230 0.000 1.030 184 T CB 0.947 69.702 68.868 -0.189 0.000 0.912 184 T HN 1.047 nan 8.240 nan 0.000 0.483 185 V N 2.152 121.778 119.914 -0.480 0.000 3.177 185 V HA 0.808 4.928 4.120 -0.000 0.000 0.319 185 V C -1.514 174.148 176.094 -0.720 0.000 1.125 185 V CA -1.090 60.883 62.300 -0.545 0.000 1.029 185 V CB 1.357 32.802 31.823 -0.630 0.000 1.119 185 V HN 0.715 nan 8.190 nan 0.000 0.452 186 Y N 0.259 120.486 120.300 -0.121 0.000 2.499 186 Y HA 0.656 5.206 4.550 -0.000 0.000 0.347 186 Y C -0.095 175.748 175.900 -0.095 0.000 0.987 186 Y CA -0.780 57.298 58.100 -0.036 0.000 1.044 186 Y CB 1.573 40.004 38.460 -0.049 0.000 1.245 186 Y HN 0.976 nan 8.280 nan 0.000 0.461 187 D N -1.276 119.191 120.400 0.112 0.000 2.529 187 D HA 0.251 4.891 4.640 -0.000 0.000 0.273 187 D C 0.534 176.868 176.300 0.057 0.000 1.197 187 D CA -0.674 53.350 54.000 0.040 0.000 1.070 187 D CB 0.634 41.485 40.800 0.085 0.000 1.134 187 D HN 0.334 nan 8.370 nan 0.000 0.590 188 S N -1.283 114.432 115.700 0.025 0.000 2.447 188 S HA -0.139 4.331 4.470 -0.000 0.000 0.233 188 S C 1.516 176.128 174.600 0.020 0.000 1.006 188 S CA 0.663 58.865 58.200 0.004 0.000 0.957 188 S CB -0.279 62.919 63.200 -0.004 0.000 0.773 188 S HN 0.457 nan 8.310 nan 0.000 0.507 189 Q N -0.111 119.719 119.800 0.050 0.000 2.432 189 Q HA 0.104 4.444 4.340 -0.000 0.000 0.205 189 Q C 1.371 177.411 176.000 0.067 0.000 0.945 189 Q CA 0.561 56.395 55.803 0.052 0.000 0.924 189 Q CB 0.199 28.972 28.738 0.059 0.000 1.016 189 Q HN 0.680 nan 8.270 nan 0.000 0.503 190 G N 1.613 110.473 108.800 0.100 0.000 2.141 190 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.242 190 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.242 190 G C -0.050 174.998 174.900 0.247 0.000 0.982 190 G CA -0.149 45.037 45.100 0.143 0.000 0.662 190 G HN 0.243 nan 8.290 nan 0.000 0.527 191 N N 0.967 119.792 118.700 0.209 0.000 2.492 191 N HA 0.462 5.202 4.740 -0.000 0.000 0.260 191 N C 0.559 176.205 175.510 0.226 0.000 1.215 191 N CA 0.819 53.966 53.050 0.161 0.000 0.923 191 N CB 1.150 39.671 38.487 0.056 0.000 1.092 191 N HN 0.730 nan 8.380 nan 0.000 0.448 192 A N 2.638 125.509 122.820 0.085 0.000 2.328 192 A HA 0.238 4.558 4.320 -0.000 0.000 0.284 192 A C -0.352 177.150 177.584 -0.137 0.000 1.160 192 A CA -0.424 51.535 52.037 -0.131 0.000 0.818 192 A CB 0.173 19.103 19.000 -0.116 0.000 1.087 192 A HN 0.693 nan 8.150 nan 0.000 0.504 193 H N 2.322 121.233 119.070 -0.264 0.000 2.551 193 H HA 0.174 4.730 4.556 -0.000 0.000 0.321 193 H C -1.144 174.078 175.328 -0.177 0.000 1.028 193 H CA -0.862 55.088 56.048 -0.164 0.000 1.215 193 H CB 1.443 31.138 29.762 -0.113 0.000 1.414 193 H HN 0.633 nan 8.280 nan 0.000 0.480 194 D N 4.593 124.974 120.400 -0.032 0.000 2.402 194 D HA 0.073 4.713 4.640 -0.000 0.000 0.235 194 D C 0.368 176.671 176.300 0.006 0.000 1.226 194 D CA -0.174 53.806 54.000 -0.033 0.000 0.918 194 D CB 0.655 41.441 40.800 -0.024 0.000 1.043 194 D HN 0.292 nan 8.370 nan 0.000 0.506 195 M N 1.949 121.554 119.600 0.008 0.000 2.108 195 M HA 0.145 4.625 4.480 -0.000 0.000 0.347 195 M C 0.215 176.544 176.300 0.049 0.000 1.326 195 M CA -0.185 55.150 55.300 0.060 0.000 1.126 195 M CB -0.400 32.261 32.600 0.102 0.000 1.606 195 M HN 0.038 nan 8.290 nan 0.000 0.462 196 N N 1.694 120.440 118.700 0.077 0.000 2.499 196 N HA 0.509 5.249 4.740 -0.000 0.000 0.281 196 N C -0.998 174.493 175.510 -0.031 0.000 1.098 196 N CA -0.530 52.508 53.050 -0.020 0.000 0.979 196 N CB 1.709 40.209 38.487 0.022 0.000 1.121 196 N HN 0.328 nan 8.380 nan 0.000 0.466 197 V N 3.016 122.795 119.914 -0.225 0.000 2.444 197 V HA 0.342 4.462 4.120 -0.000 0.000 0.294 197 V C -1.160 174.702 176.094 -0.388 0.000 1.022 197 V CA -0.739 61.469 62.300 -0.154 0.000 0.850 197 V CB 0.377 32.200 31.823 0.000 0.000 0.992 197 V HN 0.567 nan 8.190 nan 0.000 0.426 198 Y N 3.907 124.090 120.300 -0.196 0.000 2.364 198 Y HA 0.704 5.254 4.550 -0.000 0.000 0.340 198 Y C -0.477 175.243 175.900 -0.300 0.000 0.975 198 Y CA -0.900 57.095 58.100 -0.175 0.000 1.089 198 Y CB 1.834 40.178 38.460 -0.195 0.000 1.192 198 Y HN 0.523 nan 8.280 nan 0.000 0.454 199 F N 2.360 122.459 119.950 0.248 0.000 2.411 199 F HA 0.624 5.151 4.527 -0.000 0.000 0.352 199 F C -0.529 175.517 175.800 0.409 0.000 1.123 199 F CA -1.133 57.035 58.000 0.281 0.000 1.044 199 F CB 1.374 40.506 39.000 0.221 0.000 1.135 199 F HN 0.058 nan 8.300 nan 0.000 0.461 200 V N 3.737 123.934 119.914 0.473 0.000 2.409 200 V HA 0.256 4.376 4.120 -0.000 0.000 0.290 200 V C -0.086 176.118 176.094 0.183 0.000 1.017 200 V CA -1.367 61.137 62.300 0.339 0.000 0.841 200 V CB 1.518 33.481 31.823 0.234 0.000 1.003 200 V HN 0.641 nan 8.190 nan 0.000 0.426 201 K N 2.614 122.968 120.400 -0.076 0.000 2.447 201 K HA 0.113 4.433 4.320 -0.000 0.000 0.281 201 K C 1.203 177.624 176.600 -0.299 0.000 1.031 201 K CA 0.676 56.580 56.287 -0.637 0.000 1.019 201 K CB 0.882 32.749 32.500 -1.056 0.000 0.918 201 K HN 0.908 nan 8.250 nan 0.000 0.476 202 T N 1.140 115.537 114.554 -0.261 0.000 3.039 202 T HA 0.067 4.417 4.350 -0.000 0.000 0.250 202 T C 0.171 174.792 174.700 -0.132 0.000 1.052 202 T CA 0.210 62.235 62.100 -0.125 0.000 1.125 202 T CB -0.034 68.795 68.868 -0.065 0.000 0.908 202 T HN 0.744 nan 8.240 nan 0.000 0.473 203 K N -0.264 120.026 120.400 -0.183 0.000 2.670 203 K HA 0.385 4.705 4.320 -0.000 0.000 0.289 203 K C -2.151 174.353 176.600 -0.160 0.000 1.045 203 K CA -1.093 55.113 56.287 -0.136 0.000 0.834 203 K CB -0.135 32.321 32.500 -0.074 0.000 1.531 203 K HN -0.241 nan 8.250 nan 0.000 0.376 204 D N 1.709 122.055 120.400 -0.089 0.000 2.586 204 D HA 0.037 4.677 4.640 -0.000 0.000 0.234 204 D C -0.076 176.222 176.300 -0.002 0.000 1.132 204 D CA 1.109 55.079 54.000 -0.049 0.000 0.860 204 D CB -0.148 40.646 40.800 -0.011 0.000 1.159 204 D HN 0.654 nan 8.370 nan 0.000 0.490 205 N N 1.125 119.862 118.700 0.061 0.000 2.778 205 N HA -0.225 4.515 4.740 -0.000 0.000 0.249 205 N C -0.676 175.030 175.510 0.326 0.000 1.069 205 N CA 1.030 54.230 53.050 0.250 0.000 0.831 205 N CB -0.812 37.800 38.487 0.208 0.000 1.142 205 N HN 0.640 nan 8.380 nan 0.000 0.573 206 E N -1.027 119.231 120.200 0.097 0.000 2.272 206 E HA 0.470 4.820 4.350 -0.000 0.000 0.269 206 E C -0.929 175.642 176.600 -0.049 0.000 0.877 206 E CA -0.541 55.935 56.400 0.126 0.000 0.755 206 E CB 1.173 30.889 29.700 0.027 0.000 1.192 206 E HN 0.101 nan 8.360 nan 0.000 0.422 207 W N 1.376 122.739 121.300 0.105 0.000 2.756 207 W HA 0.498 5.158 4.660 -0.000 0.000 0.333 207 W C -0.351 176.170 176.519 0.002 0.000 1.025 207 W CA -0.569 56.843 57.345 0.112 0.000 1.246 207 W CB 1.498 31.098 29.460 0.234 0.000 1.358 207 W HN 0.526 nan 8.180 nan 0.000 0.444 208 A N 2.265 125.161 122.820 0.126 0.000 2.388 208 A HA 0.721 5.041 4.320 -0.000 0.000 0.257 208 A C -0.694 176.789 177.584 -0.168 0.000 1.095 208 A CA -0.339 51.645 52.037 -0.089 0.000 0.791 208 A CB 0.525 19.433 19.000 -0.154 0.000 1.029 208 A HN 0.488 nan 8.150 nan 0.000 0.489 209 V N 3.020 122.691 119.914 -0.405 0.000 2.444 209 V HA 0.366 4.486 4.120 -0.000 0.000 0.294 209 V C -1.198 174.586 176.094 -0.517 0.000 1.022 209 V CA -0.323 61.694 62.300 -0.472 0.000 0.850 209 V CB 0.711 32.220 31.823 -0.523 0.000 0.992 209 V HN 0.772 nan 8.190 nan 0.000 0.426 210 Y N 2.267 122.396 120.300 -0.285 0.000 2.420 210 Y HA 0.718 5.268 4.550 -0.000 0.000 0.334 210 Y C 0.825 176.751 175.900 0.044 0.000 1.094 210 Y CA -0.634 57.382 58.100 -0.141 0.000 1.126 210 Y CB 2.244 40.512 38.460 -0.319 0.000 1.217 210 Y HN 0.710 nan 8.280 nan 0.000 0.462 211 T N -1.185 113.524 114.554 0.259 0.000 2.916 211 T HA 0.659 5.009 4.350 -0.000 0.000 0.292 211 T C -1.645 173.275 174.700 0.367 0.000 1.055 211 T CA -0.795 61.467 62.100 0.270 0.000 1.009 211 T CB 2.104 71.062 68.868 0.151 0.000 1.118 211 T HN 0.732 nan 8.240 nan 0.000 0.497 212 H N -0.028 119.176 119.070 0.224 0.000 3.129 212 H HA 0.404 4.960 4.556 -0.000 0.000 0.342 212 H C -1.989 173.438 175.328 0.165 0.000 1.092 212 H CA -0.449 55.716 56.048 0.196 0.000 1.310 212 H CB 1.771 31.673 29.762 0.234 0.000 1.932 212 H HN 0.696 nan 8.280 nan 0.000 0.507 213 D N 2.538 122.713 120.400 -0.375 0.000 2.374 213 D HA 0.065 4.705 4.640 -0.000 0.000 0.240 213 D C 0.779 176.863 176.300 -0.361 0.000 1.229 213 D CA 0.447 54.314 54.000 -0.221 0.000 0.895 213 D CB 0.706 41.463 40.800 -0.070 0.000 1.046 213 D HN 0.557 nan 8.370 nan 0.000 0.498 214 S N 1.551 117.182 115.700 -0.115 0.000 2.555 214 S HA -0.059 4.411 4.470 -0.000 0.000 0.230 214 S C 1.440 176.026 174.600 -0.024 0.000 0.978 214 S CA 0.163 58.364 58.200 0.003 0.000 0.934 214 S CB 0.165 63.422 63.200 0.095 0.000 0.766 214 S HN 0.212 nan 8.310 nan 0.000 0.533 215 S N 1.196 116.854 115.700 -0.071 0.000 2.556 215 S HA 0.190 4.660 4.470 -0.000 0.000 0.216 215 S C -0.061 174.470 174.600 -0.114 0.000 0.970 215 S CA -0.122 58.018 58.200 -0.100 0.000 0.912 215 S CB -0.025 63.071 63.200 -0.173 0.000 0.790 215 S HN 0.623 nan 8.310 nan 0.000 0.504 216 D N 1.681 122.026 120.400 -0.091 0.000 2.461 216 D HA 0.292 4.932 4.640 -0.000 0.000 0.240 216 D C -1.779 174.511 176.300 -0.016 0.000 1.094 216 D CA -2.256 51.708 54.000 -0.059 0.000 0.868 216 D CB 1.517 42.294 40.800 -0.038 0.000 1.062 216 D HN -0.045 nan 8.370 nan 0.000 0.530 217 P HA -0.061 nan 4.420 nan 0.000 0.222 217 P C 0.841 178.166 177.300 0.042 0.000 1.147 217 P CA 0.477 63.595 63.100 0.030 0.000 0.790 217 P CB 0.278 31.989 31.700 0.017 0.000 0.780 218 A N -0.435 122.404 122.820 0.032 0.000 2.238 218 A HA 0.397 4.717 4.320 -0.000 0.000 0.208 218 A C 1.328 178.947 177.584 0.058 0.000 1.177 218 A CA 0.207 52.268 52.037 0.039 0.000 0.804 218 A CB -0.782 18.234 19.000 0.027 0.000 0.823 218 A HN 0.256 nan 8.150 nan 0.000 0.482 219 A N 1.204 124.068 122.820 0.073 0.000 2.450 219 A HA 0.473 4.793 4.320 -0.000 0.000 0.255 219 A C 0.897 178.605 177.584 0.206 0.000 1.096 219 A CA 0.360 52.463 52.037 0.110 0.000 0.778 219 A CB -0.448 18.562 19.000 0.016 0.000 1.031 219 A HN 0.721 nan 8.150 nan 0.000 0.494 220 T N 0.828 115.476 114.554 0.158 0.000 2.930 220 T HA 0.496 4.846 4.350 -0.000 0.000 0.306 220 T C 0.459 175.243 174.700 0.140 0.000 1.045 220 T CA -0.099 62.074 62.100 0.120 0.000 1.134 220 T CB 0.730 69.645 68.868 0.079 0.000 0.961 220 T HN 1.451 nan 8.240 nan 0.000 0.545 221 A N 4.841 127.666 122.820 0.008 0.000 2.477 221 A HA 0.468 4.788 4.320 -0.000 0.000 0.246 221 A C -1.731 175.827 177.584 -0.044 0.000 1.078 221 A CA -1.400 50.544 52.037 -0.155 0.000 0.770 221 A CB -0.596 18.287 19.000 -0.195 0.000 1.011 221 A HN 0.806 nan 8.150 nan 0.000 0.494 222 P HA 0.134 nan 4.420 nan 0.000 0.276 222 P C 0.518 177.930 177.300 0.187 0.000 1.264 222 P CA 0.168 63.373 63.100 0.174 0.000 0.769 222 P CB 0.741 32.634 31.700 0.322 0.000 0.840 223 T N -0.990 113.678 114.554 0.189 0.000 2.985 223 T HA 0.111 4.461 4.350 -0.000 0.000 0.254 223 T C 0.648 175.534 174.700 0.310 0.000 1.021 223 T CA 0.163 62.378 62.100 0.191 0.000 0.957 223 T CB -0.032 68.891 68.868 0.090 0.000 1.047 223 T HN 0.429 nan 8.240 nan 0.000 0.511 224 T N 1.405 116.132 114.554 0.288 0.000 2.863 224 T HA 0.709 5.059 4.350 -0.000 0.000 0.285 224 T C -0.304 174.401 174.700 0.009 0.000 1.009 224 T CA -0.471 61.731 62.100 0.169 0.000 0.989 224 T CB 1.240 70.149 68.868 0.068 0.000 1.004 224 T HN 0.480 nan 8.240 nan 0.000 0.455 225 A N 3.326 125.946 122.820 -0.333 0.000 2.462 225 A HA 0.480 4.800 4.320 -0.000 0.000 0.243 225 A C 1.445 178.834 177.584 -0.325 0.000 1.076 225 A CA -0.144 51.455 52.037 -0.731 0.000 0.773 225 A CB 0.041 18.586 19.000 -0.758 0.000 1.010 225 A HN 0.945 nan 8.150 nan 0.000 0.493 226 S N -0.135 115.397 115.700 -0.280 0.000 2.395 226 S HA 0.085 4.555 4.470 -0.000 0.000 0.225 226 S C 0.967 175.488 174.600 -0.132 0.000 1.027 226 S CA 1.440 59.555 58.200 -0.142 0.000 0.965 226 S CB -0.062 63.090 63.200 -0.080 0.000 0.812 226 S HN 0.996 nan 8.310 nan 0.000 0.482 227 T N -0.110 114.334 114.554 -0.182 0.000 2.739 227 T HA 0.447 4.797 4.350 -0.000 0.000 0.303 227 T C -1.889 172.694 174.700 -0.196 0.000 1.389 227 T CA -0.494 61.517 62.100 -0.148 0.000 1.001 227 T CB 1.861 70.686 68.868 -0.072 0.000 1.436 227 T HN -0.056 nan 8.240 nan 0.000 0.500 228 T N 2.692 117.160 114.554 -0.143 0.000 2.840 228 T HA 0.548 4.898 4.350 -0.000 0.000 0.287 228 T C -0.566 174.072 174.700 -0.104 0.000 0.991 228 T CA -0.503 61.530 62.100 -0.111 0.000 0.964 228 T CB 0.565 69.385 68.868 -0.081 0.000 0.954 228 T HN 0.441 nan 8.240 nan 0.000 0.438 229 L N 3.962 125.136 121.223 -0.082 0.000 2.319 229 L HA 0.456 4.796 4.340 -0.000 0.000 0.280 229 L C 0.464 177.269 176.870 -0.110 0.000 1.099 229 L CA -0.341 54.393 54.840 -0.177 0.000 0.828 229 L CB 0.461 42.413 42.059 -0.179 0.000 1.150 229 L HN 0.378 nan 8.230 nan 0.000 0.442 230 K N 4.224 124.464 120.400 -0.267 0.000 2.323 230 K HA 0.561 4.881 4.320 -0.000 0.000 0.259 230 K C -1.243 175.176 176.600 -0.301 0.000 0.947 230 K CA -0.491 55.721 56.287 -0.126 0.000 0.819 230 K CB 1.920 34.385 32.500 -0.060 0.000 1.109 230 K HN 0.196 nan 8.250 nan 0.000 0.429 231 F N 1.852 121.865 119.950 0.105 0.000 2.492 231 F HA 0.230 4.757 4.527 -0.000 0.000 0.327 231 F C 0.921 176.760 175.800 0.064 0.000 1.079 231 F CA -0.954 57.094 58.000 0.081 0.000 0.967 231 F CB 1.127 40.187 39.000 0.100 0.000 1.169 231 F HN 0.568 nan 8.300 nan 0.000 0.472 232 N N 0.399 119.226 118.700 0.212 0.000 2.327 232 N HA 0.048 4.788 4.740 -0.000 0.000 0.257 232 N C 0.610 176.201 175.510 0.134 0.000 1.281 232 N CA -0.311 52.820 53.050 0.135 0.000 0.942 232 N CB 0.195 38.734 38.487 0.086 0.000 1.199 232 N HN 0.724 nan 8.380 nan 0.000 0.532 233 E N -1.214 119.039 120.200 0.088 0.000 2.209 233 E HA -0.156 4.194 4.350 -0.000 0.000 0.196 233 E C 0.313 176.952 176.600 0.064 0.000 0.993 233 E CA 0.938 57.380 56.400 0.070 0.000 0.819 233 E CB -0.053 29.677 29.700 0.049 0.000 0.745 233 E HN 0.460 nan 8.360 nan 0.000 0.477 234 N N -0.854 117.887 118.700 0.068 0.000 2.398 234 N HA 0.009 4.749 4.740 -0.000 0.000 0.188 234 N C 0.807 176.356 175.510 0.064 0.000 1.122 234 N CA 0.927 54.010 53.050 0.056 0.000 0.866 234 N CB 1.161 39.678 38.487 0.050 0.000 0.970 234 N HN 0.264 nan 8.380 nan 0.000 0.462 235 G N 0.781 109.643 108.800 0.103 0.000 2.141 235 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.242 235 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.242 235 G C 0.033 175.061 174.900 0.213 0.000 0.982 235 G CA -0.247 44.909 45.100 0.094 0.000 0.662 235 G HN 0.300 nan 8.290 nan 0.000 0.527 236 I N 0.602 121.311 120.570 0.230 0.000 2.472 236 I HA 0.382 4.552 4.170 -0.000 0.000 0.290 236 I C 0.839 177.113 176.117 0.261 0.000 1.016 236 I CA -1.078 60.358 61.300 0.228 0.000 1.348 236 I CB 1.234 39.304 38.000 0.116 0.000 1.417 236 I HN 0.095 nan 8.210 nan 0.000 0.521 237 L N 6.338 127.664 121.223 0.172 0.000 2.477 237 L HA 0.027 4.367 4.340 -0.000 0.000 0.272 237 L C 0.890 177.697 176.870 -0.105 0.000 1.157 237 L CA 0.943 55.688 54.840 -0.159 0.000 0.889 237 L CB 0.205 42.185 42.059 -0.133 0.000 1.158 237 L HN 0.707 nan 8.230 nan 0.000 0.473 238 E N 1.908 122.011 120.200 -0.161 0.000 2.330 238 E HA 0.161 4.511 4.350 -0.000 0.000 0.200 238 E C -0.302 176.249 176.600 -0.082 0.000 0.922 238 E CA 0.560 56.915 56.400 -0.075 0.000 0.935 238 E CB 0.507 30.182 29.700 -0.042 0.000 0.917 238 E HN 0.776 nan 8.360 nan 0.000 0.491 239 S N -2.566 113.056 115.700 -0.130 0.000 2.587 239 S HA 0.541 5.011 4.470 -0.000 0.000 0.269 239 S C 0.471 174.998 174.600 -0.122 0.000 1.154 239 S CA -0.338 57.804 58.200 -0.096 0.000 0.824 239 S CB 1.199 64.359 63.200 -0.066 0.000 1.118 239 S HN 0.429 nan 8.310 nan 0.000 0.462 240 G N 0.083 108.840 108.800 -0.072 0.000 2.157 240 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.248 240 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.248 240 G C 0.932 175.826 174.900 -0.009 0.000 0.979 240 G CA 0.316 45.379 45.100 -0.062 0.000 0.650 240 G HN 1.813 nan 8.290 nan 0.000 0.529 241 G N -0.890 107.926 108.800 0.026 0.000 2.744 241 G HA2 0.385 4.345 3.960 -0.000 0.000 0.211 241 G HA3 0.385 4.345 3.960 -0.000 0.000 0.211 241 G C 0.497 175.540 174.900 0.240 0.000 1.143 241 G CA 1.493 46.690 45.100 0.161 0.000 0.788 241 G HN 0.812 nan 8.290 nan 0.000 0.534 242 T N -0.483 114.151 114.554 0.133 0.000 2.928 242 T HA 0.521 4.871 4.350 -0.000 0.000 0.296 242 T C -1.515 173.216 174.700 0.053 0.000 1.000 242 T CA -0.400 61.748 62.100 0.080 0.000 0.989 242 T CB 2.612 71.499 68.868 0.032 0.000 1.005 242 T HN 0.051 nan 8.240 nan 0.000 0.442 243 V N 3.808 123.740 119.914 0.031 0.000 2.891 243 V HA 0.476 4.596 4.120 -0.000 0.000 0.304 243 V C -1.303 174.735 176.094 -0.093 0.000 1.171 243 V CA -0.933 61.360 62.300 -0.013 0.000 0.943 243 V CB 2.121 33.958 31.823 0.023 0.000 1.037 243 V HN 0.940 nan 8.190 nan 0.000 0.427 244 N N 6.586 125.214 118.700 -0.120 0.000 2.497 244 N HA 0.500 5.240 4.740 -0.000 0.000 0.271 244 N C -0.838 174.495 175.510 -0.294 0.000 1.142 244 N CA -0.352 52.575 53.050 -0.205 0.000 0.965 244 N CB 0.777 39.178 38.487 -0.143 0.000 1.077 244 N HN 0.477 nan 8.380 nan 0.000 0.462 245 I N 1.658 121.888 120.570 -0.567 0.000 2.474 245 I HA 0.267 4.437 4.170 -0.000 0.000 0.294 245 I C 0.103 175.877 176.117 -0.571 0.000 1.005 245 I CA -0.427 60.501 61.300 -0.619 0.000 1.113 245 I CB 1.679 39.120 38.000 -0.931 0.000 1.289 245 I HN 0.401 nan 8.210 nan 0.000 0.436 246 T N 4.322 118.711 114.554 -0.276 0.000 2.770 246 T HA 0.382 4.732 4.350 -0.000 0.000 0.283 246 T C 0.611 175.273 174.700 -0.064 0.000 0.988 246 T CA -0.473 61.539 62.100 -0.147 0.000 0.957 246 T CB 1.285 70.101 68.868 -0.087 0.000 0.930 246 T HN 0.782 nan 8.240 nan 0.000 0.443 247 T N 1.500 116.046 114.554 -0.014 0.000 2.667 247 T HA 0.486 4.836 4.350 -0.000 0.000 0.305 247 T C 1.205 175.930 174.700 0.042 0.000 1.022 247 T CA -0.432 61.679 62.100 0.018 0.000 0.995 247 T CB 0.287 69.067 68.868 -0.148 0.000 1.026 247 T HN 0.575 nan 8.240 nan 0.000 0.527 248 G N -0.112 108.756 108.800 0.112 0.000 2.516 248 G HA2 0.509 4.469 3.960 -0.000 0.000 0.276 248 G HA3 0.509 4.469 3.960 -0.000 0.000 0.276 248 G C -0.023 174.993 174.900 0.193 0.000 1.390 248 G CA -0.164 45.003 45.100 0.112 0.000 1.050 248 G HN 1.193 nan 8.290 nan 0.000 0.519 249 T N -2.494 112.141 114.554 0.135 0.000 2.887 249 T HA 0.701 5.051 4.350 -0.000 0.000 0.288 249 T C -0.506 174.225 174.700 0.051 0.000 1.021 249 T CA -0.659 61.523 62.100 0.136 0.000 1.000 249 T CB 1.806 70.719 68.868 0.074 0.000 1.034 249 T HN 0.335 nan 8.240 nan 0.000 0.467 250 I N 2.195 122.780 120.570 0.025 0.000 2.499 250 I HA 0.409 4.579 4.170 -0.000 0.000 0.288 250 I C 0.656 176.766 176.117 -0.012 0.000 1.048 250 I CA -0.863 60.403 61.300 -0.057 0.000 1.062 250 I CB 1.807 39.697 38.000 -0.182 0.000 1.238 250 I HN 0.978 nan 8.210 nan 0.000 0.426 251 N N 4.777 123.469 118.700 -0.013 0.000 2.714 251 N HA -0.222 4.518 4.740 -0.000 0.000 0.252 251 N C 0.890 176.407 175.510 0.012 0.000 1.014 251 N CA 0.771 53.820 53.050 -0.001 0.000 0.735 251 N CB -0.274 38.212 38.487 -0.002 0.000 0.924 251 N HN 1.214 nan 8.380 nan 0.000 0.540 252 G N -1.841 106.969 108.800 0.016 0.000 2.153 252 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.252 252 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.252 252 G C 0.137 175.054 174.900 0.028 0.000 0.994 252 G CA 0.847 45.959 45.100 0.020 0.000 0.698 252 G HN 1.023 nan 8.290 nan 0.000 0.521 253 A N -0.029 122.815 122.820 0.040 0.000 2.306 253 A HA 0.885 5.205 4.320 -0.000 0.000 0.330 253 A C 0.805 178.426 177.584 0.063 0.000 1.146 253 A CA 0.646 52.714 52.037 0.052 0.000 0.827 253 A CB 0.645 19.685 19.000 0.067 0.000 1.178 253 A HN 1.603 nan 8.150 nan 0.000 0.490 254 T N 0.121 114.705 114.554 0.050 0.000 2.900 254 T HA 0.529 4.879 4.350 -0.000 0.000 0.307 254 T C 0.549 175.277 174.700 0.046 0.000 1.065 254 T CA 0.011 62.135 62.100 0.040 0.000 1.105 254 T CB 0.675 69.556 68.868 0.022 0.000 0.979 254 T HN 1.434 nan 8.240 nan 0.000 0.544 255 A N 1.654 124.492 122.820 0.030 0.000 2.386 255 A HA 0.632 4.952 4.320 -0.000 0.000 0.246 255 A C 0.754 178.307 177.584 -0.052 0.000 1.089 255 A CA -0.375 51.657 52.037 -0.008 0.000 0.790 255 A CB -0.479 18.520 19.000 -0.002 0.000 1.042 255 A HN 1.443 nan 8.150 nan 0.000 0.497 256 A N 0.492 123.235 122.820 -0.129 0.000 2.310 256 A HA 0.638 4.958 4.320 -0.000 0.000 0.299 256 A C 0.164 177.778 177.584 0.051 0.000 1.147 256 A CA -0.192 51.822 52.037 -0.038 0.000 0.818 256 A CB 0.307 19.262 19.000 -0.075 0.000 1.096 256 A HN 0.802 nan 8.150 nan 0.000 0.495 257 T N 2.671 117.266 114.554 0.069 0.000 2.809 257 T HA 0.615 4.965 4.350 -0.000 0.000 0.284 257 T C -0.950 173.801 174.700 0.085 0.000 0.992 257 T CA -0.016 62.088 62.100 0.007 0.000 0.957 257 T CB 0.120 68.965 68.868 -0.038 0.000 0.942 257 T HN 0.665 nan 8.240 nan 0.000 0.439 258 F N -0.002 119.910 119.950 -0.064 0.000 2.613 258 F HA 0.795 5.322 4.527 -0.000 0.000 0.310 258 F C -0.174 175.593 175.800 -0.055 0.000 1.085 258 F CA -1.310 56.653 58.000 -0.060 0.000 0.945 258 F CB 1.287 40.245 39.000 -0.070 0.000 1.298 258 F HN 0.356 nan 8.300 nan 0.000 0.455 259 S N 2.562 118.311 115.700 0.080 0.000 2.474 259 S HA 0.493 4.963 4.470 -0.000 0.000 0.276 259 S C -0.845 173.821 174.600 0.110 0.000 1.227 259 S CA -0.476 57.731 58.200 0.012 0.000 1.050 259 S CB 0.214 63.423 63.200 0.014 0.000 0.939 259 S HN 0.695 nan 8.310 nan 0.000 0.490 260 L N 5.659 126.886 121.223 0.007 0.000 2.275 260 L HA 0.622 4.962 4.340 -0.000 0.000 0.288 260 L C -0.117 176.636 176.870 -0.195 0.000 1.046 260 L CA 0.312 55.130 54.840 -0.037 0.000 0.805 260 L CB 1.435 43.460 42.059 -0.058 0.000 1.193 260 L HN 0.616 nan 8.230 nan 0.000 0.426 261 S N 4.000 119.534 115.700 -0.276 0.000 2.473 261 S HA 0.547 5.017 4.470 -0.000 0.000 0.307 261 S C -0.028 174.345 174.600 -0.378 0.000 1.094 261 S CA -0.464 57.614 58.200 -0.202 0.000 1.070 261 S CB 0.530 63.685 63.200 -0.075 0.000 1.019 261 S HN 0.477 nan 8.310 nan 0.000 0.480 262 F N 3.275 123.254 119.950 0.049 0.000 2.647 262 F HA 0.377 4.904 4.527 -0.000 0.000 0.300 262 F C 0.910 176.738 175.800 0.047 0.000 1.106 262 F CA -0.496 57.544 58.000 0.067 0.000 1.313 262 F CB 0.281 39.335 39.000 0.089 0.000 1.007 262 F HN 0.402 nan 8.300 nan 0.000 0.536 263 L N 2.373 123.673 121.223 0.128 0.000 2.693 263 L HA -0.227 4.113 4.340 -0.000 0.000 0.292 263 L C 0.488 177.411 176.870 0.089 0.000 1.243 263 L CA 0.914 55.807 54.840 0.087 0.000 0.903 263 L CB 0.199 42.285 42.059 0.044 0.000 1.160 263 L HN 0.557 nan 8.230 nan 0.000 0.496 264 N N 1.009 119.762 118.700 0.088 0.000 2.965 264 N HA -0.169 4.571 4.740 -0.000 0.000 0.232 264 N C 0.055 175.622 175.510 0.096 0.000 0.913 264 N CA 1.151 54.248 53.050 0.077 0.000 0.981 264 N CB -0.958 37.559 38.487 0.049 0.000 1.077 264 N HN 0.536 nan 8.380 nan 0.000 0.589 265 S N 0.466 116.255 115.700 0.149 0.000 2.568 265 S HA 0.421 4.891 4.470 -0.000 0.000 0.282 265 S C 0.609 175.361 174.600 0.253 0.000 1.338 265 S CA 0.336 58.641 58.200 0.176 0.000 1.045 265 S CB 1.076 64.437 63.200 0.270 0.000 0.873 265 S HN 0.200 nan 8.310 nan 0.000 0.516 266 M N 1.708 121.359 119.600 0.085 0.000 2.575 266 M HA 0.310 4.790 4.480 -0.000 0.000 0.284 266 M C -1.008 174.977 176.300 -0.525 0.000 1.253 266 M CA -0.430 54.849 55.300 -0.035 0.000 0.861 266 M CB 2.473 35.049 32.600 -0.040 0.000 1.733 266 M HN 0.567 nan 8.290 nan 0.000 0.462 267 Q N 2.477 121.832 119.800 -0.741 0.000 2.372 267 Q HA 0.337 4.677 4.340 -0.000 0.000 0.259 267 Q C -1.328 174.499 176.000 -0.288 0.000 0.993 267 Q CA -0.386 54.999 55.803 -0.697 0.000 0.854 267 Q CB 1.316 29.555 28.738 -0.831 0.000 1.231 267 Q HN 0.588 nan 8.270 nan 0.000 0.462 268 Q N 2.326 121.996 119.800 -0.216 0.000 2.340 268 Q HA 0.115 4.455 4.340 -0.000 0.000 0.249 268 Q C 0.614 176.573 176.000 -0.068 0.000 0.957 268 Q CA -0.489 55.246 55.803 -0.114 0.000 0.882 268 Q CB 0.849 29.527 28.738 -0.100 0.000 1.235 268 Q HN 0.646 nan 8.270 nan 0.000 0.439 269 N N 0.266 118.943 118.700 -0.038 0.000 2.104 269 N HA -0.108 4.632 4.740 -0.000 0.000 0.190 269 N C 0.386 175.891 175.510 -0.009 0.000 1.024 269 N CA 1.258 54.299 53.050 -0.014 0.000 0.853 269 N CB 0.150 38.633 38.487 -0.007 0.000 1.008 269 N HN 0.498 nan 8.380 nan 0.000 0.424 270 T N -1.145 113.399 114.554 -0.016 0.000 3.105 270 T HA 0.607 4.957 4.350 -0.000 0.000 0.321 270 T C -0.517 174.171 174.700 -0.021 0.000 1.135 270 T CA -0.138 61.956 62.100 -0.010 0.000 1.053 270 T CB 1.345 70.211 68.868 -0.004 0.000 1.133 270 T HN 0.368 nan 8.240 nan 0.000 0.463 271 G N 1.784 110.574 108.800 -0.018 0.000 2.323 271 G HA2 0.649 4.609 3.960 -0.000 0.000 0.291 271 G HA3 0.649 4.609 3.960 -0.000 0.000 0.291 271 G C -1.493 173.395 174.900 -0.020 0.000 1.278 271 G CA -0.066 45.019 45.100 -0.025 0.000 0.860 271 G HN 1.122 nan 8.290 nan 0.000 0.504 272 A N -0.209 122.594 122.820 -0.028 0.000 2.337 272 A HA 0.727 5.047 4.320 -0.000 0.000 0.329 272 A C -0.077 177.473 177.584 -0.056 0.000 1.146 272 A CA -0.719 51.305 52.037 -0.022 0.000 0.800 272 A CB 0.744 19.739 19.000 -0.009 0.000 1.220 272 A HN 0.600 nan 8.150 nan 0.000 0.472 273 N N 2.057 120.723 118.700 -0.058 0.000 2.359 273 N HA 0.082 4.822 4.740 -0.000 0.000 0.261 273 N C -0.619 174.825 175.510 -0.110 0.000 1.267 273 N CA 0.852 53.825 53.050 -0.128 0.000 0.864 273 N CB 0.183 38.614 38.487 -0.094 0.000 1.063 273 N HN 0.707 nan 8.380 nan 0.000 0.474 274 N N 1.879 120.486 118.700 -0.155 0.000 2.493 274 N HA 0.320 5.060 4.740 -0.000 0.000 0.279 274 N C -1.552 173.887 175.510 -0.119 0.000 1.082 274 N CA -0.468 52.519 53.050 -0.105 0.000 0.963 274 N CB 1.049 39.492 38.487 -0.074 0.000 1.627 274 N HN 0.318 nan 8.380 nan 0.000 0.499 275 I N 3.441 123.963 120.570 -0.080 0.000 2.352 275 I HA 0.154 4.324 4.170 -0.000 0.000 0.290 275 I C 1.021 177.120 176.117 -0.030 0.000 1.036 275 I CA -0.384 60.883 61.300 -0.054 0.000 1.336 275 I CB 1.284 39.277 38.000 -0.013 0.000 1.407 275 I HN 0.424 nan 8.210 nan 0.000 0.497 276 V N 5.915 125.813 119.914 -0.027 0.000 2.825 276 V HA 0.253 4.373 4.120 -0.000 0.000 0.246 276 V C 0.757 176.848 176.094 -0.005 0.000 1.068 276 V CA 0.921 63.211 62.300 -0.017 0.000 1.088 276 V CB 0.019 31.830 31.823 -0.021 0.000 0.733 276 V HN 0.848 nan 8.190 nan 0.000 0.468 277 A N -0.340 122.482 122.820 0.002 0.000 2.566 277 A HA 0.688 5.008 4.320 -0.000 0.000 0.297 277 A C -0.366 177.223 177.584 0.008 0.000 1.059 277 A CA 0.147 52.187 52.037 0.005 0.000 0.691 277 A CB 1.550 20.553 19.000 0.004 0.000 1.282 277 A HN 0.230 nan 8.150 nan 0.000 0.401 278 T N -0.315 114.240 114.554 0.003 0.000 2.906 278 T HA 0.846 5.196 4.350 -0.000 0.000 0.295 278 T C -0.846 173.847 174.700 -0.013 0.000 1.075 278 T CA -0.810 61.285 62.100 -0.007 0.000 1.005 278 T CB 2.060 70.924 68.868 -0.006 0.000 1.136 278 T HN 0.713 nan 8.240 nan 0.000 0.498 279 N N 0.477 119.160 118.700 -0.028 0.000 2.591 279 N HA 0.536 5.276 4.740 -0.000 0.000 0.263 279 N C -1.850 173.632 175.510 -0.047 0.000 1.308 279 N CA -0.443 52.594 53.050 -0.022 0.000 0.837 279 N CB 2.823 41.303 38.487 -0.011 0.000 1.548 279 N HN 1.012 nan 8.380 nan 0.000 0.493 280 Q N -0.293 119.489 119.800 -0.030 0.000 2.578 280 Q HA 0.420 4.760 4.340 -0.000 0.000 0.284 280 Q C -0.962 175.043 176.000 0.009 0.000 0.960 280 Q CA -0.753 55.016 55.803 -0.058 0.000 0.809 280 Q CB 0.506 29.159 28.738 -0.142 0.000 1.462 280 Q HN 0.458 nan 8.270 nan 0.000 0.392 281 N N -0.574 118.126 118.700 -0.000 0.000 2.214 281 N HA 0.247 4.987 4.740 -0.000 0.000 0.214 281 N C -0.200 175.324 175.510 0.024 0.000 1.132 281 N CA 0.388 53.465 53.050 0.045 0.000 0.856 281 N CB 0.894 39.395 38.487 0.023 0.000 1.020 281 N HN 0.708 nan 8.380 nan 0.000 0.509 282 G N -0.337 108.473 108.800 0.017 0.000 2.491 282 G HA2 0.613 4.573 3.960 -0.000 0.000 0.327 282 G HA3 0.613 4.573 3.960 -0.000 0.000 0.327 282 G C -1.110 173.746 174.900 -0.073 0.000 1.189 282 G CA -0.527 44.507 45.100 -0.110 0.000 0.956 282 G HN 0.337 nan 8.290 nan 0.000 0.491 283 Y N -2.392 117.739 120.300 -0.281 0.000 2.952 283 Y HA 0.546 5.096 4.550 -0.000 0.000 0.333 283 Y C -0.602 174.960 175.900 -0.564 0.000 1.505 283 Y CA -1.580 56.106 58.100 -0.689 0.000 1.102 283 Y CB 0.535 38.787 38.460 -0.346 0.000 2.289 283 Y HN 0.707 nan 8.280 nan 0.000 0.401 284 K N 1.008 121.354 120.400 -0.091 0.000 2.098 284 K HA 0.622 4.942 4.320 -0.000 0.000 0.258 284 K C -2.924 173.763 176.600 0.144 0.000 0.973 284 K CA -1.766 54.502 56.287 -0.032 0.000 0.898 284 K CB 1.387 33.851 32.500 -0.060 0.000 1.057 284 K HN 0.278 nan 8.250 nan 0.000 0.447 285 P HA -0.030 nan 4.420 nan 0.000 0.256 285 P C -0.302 177.044 177.300 0.076 0.000 1.189 285 P CA 0.244 63.400 63.100 0.094 0.000 0.808 285 P CB 0.621 32.349 31.700 0.047 0.000 0.793 286 G N 2.804 111.656 108.800 0.087 0.000 3.271 286 G HA2 0.450 4.410 3.960 -0.000 0.000 0.174 286 G HA3 0.450 4.410 3.960 -0.000 0.000 0.174 286 G C -1.069 173.830 174.900 -0.002 0.000 1.385 286 G CA -0.336 44.761 45.100 -0.005 0.000 0.979 286 G HN 0.388 nan 8.290 nan 0.000 0.610 287 D N -1.909 118.469 120.400 -0.036 0.000 2.655 287 D HA 0.497 5.137 4.640 -0.000 0.000 0.229 287 D C -0.020 176.263 176.300 -0.029 0.000 1.229 287 D CA -0.574 53.418 54.000 -0.012 0.000 0.807 287 D CB 2.949 43.740 40.800 -0.016 0.000 1.514 287 D HN 0.345 nan 8.370 nan 0.000 0.444 288 L N 1.345 122.568 121.223 -0.001 0.000 2.666 288 L HA 0.648 4.988 4.340 -0.000 0.000 0.213 288 L C -0.300 176.535 176.870 -0.058 0.000 1.734 288 L CA 0.187 55.016 54.840 -0.019 0.000 2.979 288 L CB 0.367 42.422 42.059 -0.006 0.000 2.784 288 L HN 0.432 nan 8.230 nan 0.000 0.797 289 V N -2.312 117.537 119.914 -0.108 0.000 5.044 289 V HA 0.412 4.532 4.120 -0.000 0.000 0.132 289 V C -0.136 175.891 176.094 -0.112 0.000 1.180 289 V CA 0.336 62.574 62.300 -0.103 0.000 1.156 289 V CB 0.457 32.220 31.823 -0.100 0.000 1.523 289 V HN 0.715 nan 8.190 nan 0.000 0.618 290 S N 0.392 116.005 115.700 -0.146 0.000 2.671 290 S HA 0.865 5.335 4.470 -0.000 0.000 0.277 290 S C -1.460 173.078 174.600 -0.103 0.000 1.165 290 S CA -0.541 57.551 58.200 -0.181 0.000 0.822 290 S CB 2.415 65.498 63.200 -0.194 0.000 1.150 290 S HN 0.855 nan 8.310 nan 0.000 0.479 291 Y N -1.214 119.023 120.300 -0.105 0.000 2.615 291 Y HA 0.835 5.385 4.550 -0.000 0.000 0.341 291 Y C -0.873 175.000 175.900 -0.045 0.000 1.089 291 Y CA -1.068 56.981 58.100 -0.085 0.000 1.049 291 Y CB 1.136 39.548 38.460 -0.079 0.000 1.296 291 Y HN 1.001 nan 8.280 nan 0.000 0.470 292 Q N 1.380 121.247 119.800 0.113 0.000 2.418 292 Q HA 0.701 5.041 4.340 -0.000 0.000 0.282 292 Q C -2.023 174.031 176.000 0.090 0.000 1.044 292 Q CA -0.994 54.837 55.803 0.047 0.000 0.813 292 Q CB 3.037 31.778 28.738 0.004 0.000 1.428 292 Q HN 0.831 nan 8.270 nan 0.000 0.402 293 I N 2.490 123.104 120.570 0.073 0.000 2.355 293 I HA 0.329 4.499 4.170 -0.000 0.000 0.288 293 I C -0.432 175.721 176.117 0.059 0.000 0.999 293 I CA -0.911 60.434 61.300 0.074 0.000 1.163 293 I CB 1.295 39.347 38.000 0.087 0.000 1.316 293 I HN 0.544 nan 8.210 nan 0.000 0.454 294 N N 4.091 122.824 118.700 0.055 0.000 2.347 294 N HA 0.051 4.791 4.740 -0.000 0.000 0.253 294 N C 0.883 176.424 175.510 0.052 0.000 1.274 294 N CA -0.253 52.825 53.050 0.047 0.000 0.941 294 N CB 0.413 38.927 38.487 0.044 0.000 1.200 294 N HN 0.594 nan 8.380 nan 0.000 0.514 295 N N -0.315 118.411 118.700 0.045 0.000 2.515 295 N HA -0.127 4.613 4.740 -0.000 0.000 0.185 295 N C 0.034 175.573 175.510 0.047 0.000 1.109 295 N CA 0.597 53.675 53.050 0.046 0.000 0.903 295 N CB -0.123 38.386 38.487 0.038 0.000 0.969 295 N HN 0.503 nan 8.380 nan 0.000 0.450 296 D N -1.938 118.491 120.400 0.048 0.000 2.342 296 D HA 0.207 4.847 4.640 -0.000 0.000 0.221 296 D C 1.205 177.537 176.300 0.053 0.000 1.101 296 D CA 0.052 54.082 54.000 0.050 0.000 0.837 296 D CB -0.473 40.357 40.800 0.050 0.000 0.938 296 D HN 0.262 nan 8.370 nan 0.000 0.508 297 G N 0.689 109.524 108.800 0.059 0.000 2.184 297 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.264 297 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.264 297 G C 0.541 175.478 174.900 0.061 0.000 0.975 297 G CA 0.618 45.759 45.100 0.068 0.000 0.642 297 G HN 0.783 nan 8.290 nan 0.000 0.536 298 T N -1.116 113.473 114.554 0.059 0.000 2.928 298 T HA 0.499 4.849 4.350 -0.000 0.000 0.305 298 T C 0.207 174.941 174.700 0.056 0.000 1.035 298 T CA 0.000 62.135 62.100 0.058 0.000 1.145 298 T CB 2.321 71.223 68.868 0.056 0.000 0.963 298 T HN 0.859 nan 8.240 nan 0.000 0.545 299 V N 4.043 123.989 119.914 0.052 0.000 2.370 299 V HA 0.535 4.655 4.120 -0.000 0.000 0.283 299 V C -0.042 176.093 176.094 0.067 0.000 1.023 299 V CA -0.764 61.569 62.300 0.056 0.000 0.857 299 V CB 1.417 33.257 31.823 0.028 0.000 0.985 299 V HN 0.895 nan 8.190 nan 0.000 0.443 300 V N 3.520 123.484 119.914 0.084 0.000 2.588 300 V HA 0.753 4.873 4.120 -0.000 0.000 0.304 300 V C 0.577 176.734 176.094 0.105 0.000 1.042 300 V CA -0.443 61.913 62.300 0.094 0.000 0.877 300 V CB 2.108 33.978 31.823 0.078 0.000 0.996 300 V HN 0.936 nan 8.190 nan 0.000 0.425 301 G N 2.650 111.526 108.800 0.127 0.000 2.377 301 G HA2 0.501 4.461 3.960 -0.000 0.000 0.299 301 G HA3 0.501 4.461 3.960 -0.000 0.000 0.299 301 G C -0.620 174.265 174.900 -0.025 0.000 1.150 301 G CA -0.524 44.583 45.100 0.012 0.000 0.847 301 G HN 0.601 nan 8.290 nan 0.000 0.501 302 N N 0.448 118.996 118.700 -0.254 0.000 2.372 302 N HA 0.420 5.160 4.740 -0.000 0.000 0.285 302 N C -1.392 173.929 175.510 -0.315 0.000 1.008 302 N CA -0.275 52.701 53.050 -0.123 0.000 0.880 302 N CB 2.012 40.455 38.487 -0.073 0.000 1.239 302 N HN 0.418 nan 8.380 nan 0.000 0.484 303 Y N -0.472 119.836 120.300 0.014 0.000 2.562 303 Y HA 0.202 4.752 4.550 -0.000 0.000 0.343 303 Y C 1.687 177.574 175.900 -0.023 0.000 1.025 303 Y CA -1.043 57.059 58.100 0.003 0.000 1.082 303 Y CB 1.291 39.761 38.460 0.017 0.000 1.264 303 Y HN 0.509 nan 8.280 nan 0.000 0.478 304 S N -0.501 115.258 115.700 0.098 0.000 2.555 304 S HA -0.135 4.335 4.470 -0.000 0.000 0.230 304 S C 0.781 175.342 174.600 -0.064 0.000 0.978 304 S CA 0.949 59.132 58.200 -0.028 0.000 0.934 304 S CB -0.636 62.503 63.200 -0.101 0.000 0.766 304 S HN 0.772 nan 8.310 nan 0.000 0.533 305 N N 1.294 120.001 118.700 0.012 0.000 2.370 305 N HA 0.011 4.751 4.740 -0.000 0.000 0.198 305 N C -0.232 175.318 175.510 0.068 0.000 1.156 305 N CA 0.324 53.406 53.050 0.053 0.000 0.839 305 N CB -0.634 37.953 38.487 0.167 0.000 0.989 305 N HN 0.240 nan 8.380 nan 0.000 0.468 306 E N -1.185 119.049 120.200 0.057 0.000 2.791 306 E HA -0.184 4.166 4.350 -0.000 0.000 0.271 306 E C -0.771 175.871 176.600 0.070 0.000 1.044 306 E CA 0.799 57.231 56.400 0.053 0.000 0.814 306 E CB -1.728 27.992 29.700 0.033 0.000 1.400 306 E HN 0.634 nan 8.360 nan 0.000 0.423 307 Q N -0.266 119.596 119.800 0.104 0.000 2.359 307 Q HA 0.688 5.028 4.340 -0.000 0.000 0.275 307 Q C -0.007 176.102 176.000 0.182 0.000 1.082 307 Q CA -0.567 55.296 55.803 0.101 0.000 0.849 307 Q CB 1.629 30.400 28.738 0.056 0.000 1.377 307 Q HN 0.009 nan 8.270 nan 0.000 0.452 308 E N 0.410 120.701 120.200 0.152 0.000 2.369 308 E HA 0.494 4.844 4.350 -0.000 0.000 0.270 308 E C -1.153 175.546 176.600 0.164 0.000 0.909 308 E CA -0.577 55.954 56.400 0.218 0.000 0.775 308 E CB 2.030 31.811 29.700 0.134 0.000 1.270 308 E HN 0.228 nan 8.360 nan 0.000 0.445 309 Q N 0.394 120.338 119.800 0.239 0.000 2.305 309 Q HA 0.444 4.784 4.340 -0.000 0.000 0.271 309 Q C -1.225 174.859 176.000 0.140 0.000 1.046 309 Q CA -0.942 54.944 55.803 0.139 0.000 0.798 309 Q CB 3.120 31.916 28.738 0.098 0.000 1.286 309 Q HN 0.393 nan 8.270 nan 0.000 0.435 310 V N 4.970 124.935 119.914 0.085 0.000 2.572 310 V HA 0.081 4.201 4.120 -0.000 0.000 0.291 310 V C 0.332 176.467 176.094 0.068 0.000 1.039 310 V CA 0.703 63.046 62.300 0.073 0.000 1.055 310 V CB 0.312 32.167 31.823 0.054 0.000 0.969 310 V HN 0.809 nan 8.190 nan 0.000 0.482 311 L N 6.311 127.572 121.223 0.063 0.000 2.701 311 L HA 0.618 4.958 4.340 -0.000 0.000 0.238 311 L C 0.871 177.758 176.870 0.027 0.000 1.106 311 L CA 0.615 55.482 54.840 0.045 0.000 0.898 311 L CB 0.285 42.367 42.059 0.038 0.000 1.188 311 L HN 0.872 nan 8.230 nan 0.000 0.508 312 G N -0.023 108.799 108.800 0.036 0.000 2.324 312 G HA2 0.229 4.189 3.960 -0.000 0.000 0.293 312 G HA3 0.229 4.189 3.960 -0.000 0.000 0.293 312 G C -2.112 172.818 174.900 0.051 0.000 1.297 312 G CA -0.546 44.577 45.100 0.038 0.000 0.853 312 G HN -0.109 nan 8.290 nan 0.000 0.535 313 Q N -0.124 119.713 119.800 0.063 0.000 2.263 313 Q HA 0.542 4.882 4.340 -0.000 0.000 0.262 313 Q C -0.730 175.285 176.000 0.025 0.000 0.984 313 Q CA -0.785 55.061 55.803 0.071 0.000 0.813 313 Q CB 1.655 30.471 28.738 0.130 0.000 1.299 313 Q HN 0.623 nan 8.270 nan 0.000 0.428 314 I N 3.639 124.216 120.570 0.012 0.000 2.710 314 I HA 0.051 4.221 4.170 -0.000 0.000 0.286 314 I C 0.392 176.486 176.117 -0.038 0.000 1.181 314 I CA -0.160 61.140 61.300 -0.001 0.000 1.430 314 I CB 0.631 38.689 38.000 0.096 0.000 1.367 314 I HN 0.419 nan 8.210 nan 0.000 0.577 315 V N 5.678 125.529 119.914 -0.105 0.000 2.612 315 V HA 0.601 4.721 4.120 -0.000 0.000 0.301 315 V C -0.277 175.711 176.094 -0.175 0.000 1.046 315 V CA -0.854 61.336 62.300 -0.184 0.000 0.946 315 V CB 1.561 33.194 31.823 -0.317 0.000 1.003 315 V HN 0.509 nan 8.190 nan 0.000 0.459 316 L N 3.099 124.085 121.223 -0.395 0.000 2.334 316 L HA 0.949 5.289 4.340 -0.000 0.000 0.270 316 L C 0.279 176.864 176.870 -0.475 0.000 1.018 316 L CA -0.667 53.813 54.840 -0.599 0.000 0.811 316 L CB 1.918 43.265 42.059 -1.186 0.000 1.271 316 L HN 0.968 nan 8.230 nan 0.000 0.443 317 A N 1.847 124.582 122.820 -0.142 0.000 2.413 317 A HA 0.718 5.038 4.320 -0.000 0.000 0.307 317 A C -1.218 176.493 177.584 0.212 0.000 1.087 317 A CA -0.586 51.477 52.037 0.043 0.000 0.750 317 A CB 1.511 20.523 19.000 0.018 0.000 1.296 317 A HN 0.843 nan 8.150 nan 0.000 0.423 318 N N -0.458 118.235 118.700 -0.011 0.000 2.262 318 N HA 0.749 5.489 4.740 -0.000 0.000 0.295 318 N C -1.792 173.422 175.510 -0.494 0.000 1.161 318 N CA -0.350 52.688 53.050 -0.021 0.000 0.767 318 N CB 1.688 40.169 38.487 -0.010 0.000 1.499 318 N HN 0.489 nan 8.380 nan 0.000 0.476 319 F N 0.365 120.310 119.950 -0.010 0.000 2.561 319 F HA 0.496 5.023 4.527 -0.000 0.000 0.321 319 F C 1.109 176.870 175.800 -0.064 0.000 1.065 319 F CA -0.699 57.247 58.000 -0.091 0.000 0.934 319 F CB 1.575 40.465 39.000 -0.183 0.000 1.215 319 F HN 0.563 nan 8.300 nan 0.000 0.471 320 A N 1.349 124.230 122.820 0.102 0.000 1.933 320 A HA -0.148 4.172 4.320 -0.000 0.000 0.218 320 A C 0.778 178.389 177.584 0.044 0.000 1.175 320 A CA 1.894 53.957 52.037 0.044 0.000 0.628 320 A CB -0.512 18.502 19.000 0.024 0.000 0.814 320 A HN 0.634 nan 8.150 nan 0.000 0.444 321 N N -0.816 117.918 118.700 0.056 0.000 2.648 321 N HA 0.217 4.957 4.740 -0.000 0.000 0.261 321 N C -0.250 175.229 175.510 -0.050 0.000 1.138 321 N CA -0.302 52.750 53.050 0.003 0.000 0.804 321 N CB -0.045 38.435 38.487 -0.011 0.000 1.237 321 N HN 0.286 nan 8.380 nan 0.000 0.532 322 N N 0.917 119.588 118.700 -0.047 0.000 2.223 322 N HA -0.165 4.575 4.740 -0.000 0.000 0.185 322 N C 1.050 176.427 175.510 -0.222 0.000 1.016 322 N CA 0.468 53.424 53.050 -0.157 0.000 0.863 322 N CB 0.174 38.623 38.487 -0.064 0.000 0.983 322 N HN 0.582 nan 8.380 nan 0.000 0.429 323 E N 1.126 121.255 120.200 -0.120 0.000 2.265 323 E HA -0.119 4.231 4.350 -0.000 0.000 0.196 323 E C 1.676 178.236 176.600 -0.066 0.000 0.996 323 E CA 0.733 57.086 56.400 -0.080 0.000 0.832 323 E CB -0.115 29.564 29.700 -0.035 0.000 0.756 323 E HN 0.434 nan 8.360 nan 0.000 0.491 324 G N 0.607 109.348 108.800 -0.098 0.000 2.813 324 G HA2 0.055 4.015 3.960 -0.000 0.000 0.209 324 G HA3 0.055 4.015 3.960 -0.000 0.000 0.209 324 G C 0.842 175.680 174.900 -0.102 0.000 1.150 324 G CA -0.339 44.714 45.100 -0.079 0.000 0.785 324 G HN 0.089 nan 8.290 nan 0.000 0.535 325 L N 1.253 122.365 121.223 -0.185 0.000 2.426 325 L HA 0.433 4.773 4.340 -0.000 0.000 0.271 325 L C 0.702 177.677 176.870 0.175 0.000 1.169 325 L CA -0.681 54.057 54.840 -0.169 0.000 0.836 325 L CB 1.175 42.965 42.059 -0.448 0.000 1.112 325 L HN 0.073 nan 8.230 nan 0.000 0.465 326 A N 2.738 125.667 122.820 0.182 0.000 2.302 326 A HA 0.318 4.638 4.320 -0.000 0.000 0.295 326 A C 0.203 177.893 177.584 0.176 0.000 1.235 326 A CA -0.257 51.886 52.037 0.177 0.000 0.876 326 A CB 0.666 19.730 19.000 0.106 0.000 1.133 326 A HN 0.631 nan 8.150 nan 0.000 0.533 327 S N 1.754 117.462 115.700 0.014 0.000 2.516 327 S HA 0.114 4.584 4.470 -0.000 0.000 0.282 327 S C 0.692 175.120 174.600 -0.288 0.000 1.286 327 S CA -0.222 57.692 58.200 -0.476 0.000 1.066 327 S CB 0.265 63.129 63.200 -0.560 0.000 0.884 327 S HN 0.643 nan 8.310 nan 0.000 0.491 328 Q N 3.093 122.686 119.800 -0.344 0.000 2.247 328 Q HA 0.264 4.604 4.340 -0.000 0.000 0.204 328 Q C 1.039 176.899 176.000 -0.234 0.000 0.872 328 Q CA 0.539 56.213 55.803 -0.216 0.000 0.951 328 Q CB 0.254 28.879 28.738 -0.187 0.000 1.099 328 Q HN 1.054 nan 8.270 nan 0.000 0.501 329 G N 1.726 110.351 108.800 -0.292 0.000 2.730 329 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.686 329 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.686 329 G C -0.446 174.320 174.900 -0.224 0.000 1.343 329 G CA -0.420 44.543 45.100 -0.228 0.000 0.826 329 G HN 0.229 nan 8.290 nan 0.000 0.582 330 D N -0.728 119.576 120.400 -0.160 0.000 3.254 330 D HA -0.252 4.388 4.640 -0.000 0.000 0.216 330 D C 0.687 176.891 176.300 -0.160 0.000 1.556 330 D CA 1.373 55.300 54.000 -0.122 0.000 1.105 330 D CB -0.550 40.193 40.800 -0.095 0.000 0.682 330 D HN 0.883 nan 8.370 nan 0.000 0.810 331 N N 0.322 118.973 118.700 -0.081 0.000 2.671 331 N HA 0.317 5.057 4.740 -0.000 0.000 0.303 331 N C -1.277 174.246 175.510 0.020 0.000 1.351 331 N CA -0.015 53.033 53.050 -0.002 0.000 0.991 331 N CB 0.221 38.804 38.487 0.160 0.000 1.307 331 N HN 0.161 nan 8.380 nan 0.000 0.512 332 V N 0.718 120.485 119.914 -0.245 0.000 2.581 332 V HA 0.596 4.715 4.120 -0.000 0.000 0.303 332 V C -0.732 175.151 176.094 -0.353 0.000 1.041 332 V CA -0.581 61.671 62.300 -0.080 0.000 0.907 332 V CB 1.479 33.276 31.823 -0.045 0.000 0.994 332 V HN 0.194 nan 8.190 nan 0.000 0.442 333 W N 1.538 122.937 121.300 0.164 0.000 3.033 333 W HA 0.800 5.460 4.660 0.000 0.000 0.336 333 W C -0.292 176.345 176.519 0.196 0.000 1.173 333 W CA -0.532 56.868 57.345 0.091 0.000 1.185 333 W CB 2.064 31.482 29.460 -0.070 0.000 1.425 333 W HN 0.671 nan 8.180 nan 0.000 0.536 334 A N 1.330 124.386 122.820 0.394 0.000 2.355 334 A HA 0.918 5.238 4.320 -0.000 0.000 0.324 334 A C -0.466 177.193 177.584 0.126 0.000 1.117 334 A CA -0.733 51.521 52.037 0.361 0.000 0.785 334 A CB 0.820 20.036 19.000 0.360 0.000 1.254 334 A HN 0.893 nan 8.150 nan 0.000 0.453 335 A N 1.100 124.001 122.820 0.135 0.000 2.386 335 A HA 0.678 4.998 4.320 -0.000 0.000 0.248 335 A C 0.713 178.286 177.584 -0.018 0.000 1.082 335 A CA 0.597 52.588 52.037 -0.076 0.000 0.789 335 A CB -0.100 18.972 19.000 0.119 0.000 1.025 335 A HN 1.858 nan 8.150 nan 0.000 0.490 336 T N -1.675 112.846 114.554 -0.056 0.000 2.804 336 T HA 0.377 4.727 4.350 -0.000 0.000 0.290 336 T C 0.737 175.432 174.700 -0.007 0.000 1.099 336 T CA -0.284 61.806 62.100 -0.017 0.000 1.011 336 T CB 1.269 70.124 68.868 -0.020 0.000 1.291 336 T HN 0.585 nan 8.240 nan 0.000 0.523 337 Q N -0.233 119.569 119.800 0.002 0.000 2.124 337 Q HA -0.100 4.240 4.340 -0.000 0.000 0.202 337 Q C 2.275 178.276 176.000 0.001 0.000 0.977 337 Q CA 1.738 57.545 55.803 0.007 0.000 0.850 337 Q CB -0.595 28.147 28.738 0.008 0.000 0.901 337 Q HN 0.849 nan 8.270 nan 0.000 0.429 338 A N 0.375 123.189 122.820 -0.009 0.000 1.969 338 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 338 A C 2.139 179.708 177.584 -0.026 0.000 1.169 338 A CA 1.713 53.741 52.037 -0.014 0.000 0.635 338 A CB -0.449 18.542 19.000 -0.015 0.000 0.810 338 A HN 0.547 nan 8.150 nan 0.000 0.445 339 S N -1.632 114.036 115.700 -0.054 0.000 2.446 339 S HA 0.413 4.883 4.470 -0.000 0.000 0.225 339 S C 1.202 175.826 174.600 0.039 0.000 1.016 339 S CA 0.966 59.117 58.200 -0.081 0.000 0.943 339 S CB -0.722 62.295 63.200 -0.305 0.000 0.786 339 S HN 2.087 nan 8.310 nan 0.000 0.508 340 G N 0.354 109.185 108.800 0.051 0.000 2.756 340 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.678 340 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.678 340 G C -0.488 174.505 174.900 0.156 0.000 1.349 340 G CA -0.493 44.659 45.100 0.087 0.000 0.847 340 G HN 1.016 nan 8.290 nan 0.000 0.548 341 V N 0.981 120.952 119.914 0.094 0.000 2.811 341 V HA 0.556 4.676 4.120 -0.000 0.000 0.302 341 V C 1.490 177.557 176.094 -0.044 0.000 1.063 341 V CA 0.730 63.076 62.300 0.076 0.000 1.088 341 V CB 0.974 32.818 31.823 0.034 0.000 0.982 341 V HN 2.412 nan 8.190 nan 0.000 0.485 342 A N 6.366 129.085 122.820 -0.168 0.000 2.520 342 A HA 0.446 4.766 4.320 -0.000 0.000 0.245 342 A C -0.523 176.871 177.584 -0.316 0.000 1.072 342 A CA -0.038 51.593 52.037 -0.678 0.000 0.761 342 A CB -0.013 18.682 19.000 -0.508 0.000 1.004 342 A HN 0.889 nan 8.150 nan 0.000 0.499 343 L N 3.525 124.541 121.223 -0.344 0.000 2.287 343 L HA 0.523 4.863 4.340 -0.000 0.000 0.287 343 L C -0.513 176.359 176.870 0.004 0.000 1.022 343 L CA -0.030 54.741 54.840 -0.114 0.000 0.814 343 L CB 1.059 43.059 42.059 -0.099 0.000 1.217 343 L HN 0.660 nan 8.230 nan 0.000 0.420 344 L N 4.307 125.572 121.223 0.071 0.000 2.360 344 L HA 0.913 5.253 4.340 -0.000 0.000 0.271 344 L C 0.559 177.570 176.870 0.236 0.000 1.057 344 L CA -0.380 54.532 54.840 0.119 0.000 0.803 344 L CB 1.507 43.616 42.059 0.083 0.000 1.207 344 L HN 0.756 nan 8.230 nan 0.000 0.445 345 G N 0.155 109.074 108.800 0.199 0.000 2.664 345 G HA2 0.573 4.533 3.960 -0.000 0.000 0.303 345 G HA3 0.573 4.533 3.960 -0.000 0.000 0.303 345 G C -1.273 173.633 174.900 0.010 0.000 1.243 345 G CA -0.096 45.160 45.100 0.261 0.000 0.826 345 G HN 0.553 nan 8.290 nan 0.000 0.498 346 T N -2.161 112.453 114.554 0.099 0.000 2.907 346 T HA 0.736 5.086 4.350 -0.000 0.000 0.292 346 T C 0.223 174.951 174.700 0.045 0.000 1.043 346 T CA 0.233 62.336 62.100 0.005 0.000 1.003 346 T CB 1.604 70.528 68.868 0.093 0.000 1.084 346 T HN 1.830 nan 8.240 nan 0.000 0.483 347 A N 0.749 123.553 122.820 -0.027 0.000 2.548 347 A HA 0.516 4.836 4.320 -0.000 0.000 0.247 347 A C 1.623 179.259 177.584 0.086 0.000 1.067 347 A CA 0.485 52.549 52.037 0.045 0.000 0.757 347 A CB -1.396 17.610 19.000 0.010 0.000 0.996 347 A HN 2.458 nan 8.150 nan 0.000 0.504 348 G N 1.441 110.308 108.800 0.112 0.000 2.157 348 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.239 348 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.239 348 G C 0.215 175.165 174.900 0.084 0.000 0.982 348 G CA 0.301 45.451 45.100 0.082 0.000 0.650 348 G HN 1.368 nan 8.290 nan 0.000 0.527 349 S N -1.080 114.693 115.700 0.121 0.000 2.569 349 S HA 0.784 5.254 4.470 -0.000 0.000 0.280 349 S C 1.107 175.776 174.600 0.114 0.000 1.111 349 S CA 0.625 58.887 58.200 0.103 0.000 0.887 349 S CB 1.673 64.935 63.200 0.104 0.000 1.095 349 S HN 2.032 nan 8.310 nan 0.000 0.476 350 G N 3.326 112.156 108.800 0.050 0.000 2.685 350 G HA2 -0.409 3.551 3.960 -0.000 0.000 0.329 350 G HA3 -0.409 3.551 3.960 -0.000 0.000 0.329 350 G C 0.917 175.762 174.900 -0.091 0.000 1.271 350 G CA 1.141 46.238 45.100 -0.005 0.000 1.003 350 G HN 0.676 nan 8.290 nan 0.000 0.549 351 N N 0.416 118.963 118.700 -0.255 0.000 2.381 351 N HA 0.073 4.813 4.740 -0.000 0.000 0.182 351 N C 0.429 175.577 175.510 -0.604 0.000 1.025 351 N CA 0.904 53.622 53.050 -0.552 0.000 0.888 351 N CB -0.212 37.691 38.487 -0.974 0.000 0.965 351 N HN 0.367 nan 8.380 nan 0.000 0.438 352 F N -0.328 119.612 119.950 -0.018 0.000 2.458 352 F HA 0.549 5.076 4.527 -0.000 0.000 0.336 352 F C 1.234 177.024 175.800 -0.017 0.000 1.114 352 F CA -1.177 56.808 58.000 -0.024 0.000 0.987 352 F CB 1.254 40.239 39.000 -0.025 0.000 1.130 352 F HN -0.207 nan 8.300 nan 0.000 0.458 353 G N 1.969 110.854 108.800 0.142 0.000 2.599 353 G HA2 0.311 4.271 3.960 -0.000 0.000 0.264 353 G HA3 0.311 4.271 3.960 -0.000 0.000 0.264 353 G C -0.409 174.545 174.900 0.090 0.000 1.200 353 G CA -0.848 44.303 45.100 0.085 0.000 0.896 353 G HN 0.574 nan 8.290 nan 0.000 0.536 354 K N -0.567 119.869 120.400 0.059 0.000 2.336 354 K HA 0.108 4.428 4.320 -0.000 0.000 0.262 354 K C 0.526 177.149 176.600 0.039 0.000 0.992 354 K CA -0.078 56.238 56.287 0.049 0.000 0.927 354 K CB 0.530 33.054 32.500 0.040 0.000 0.956 354 K HN 0.240 nan 8.250 nan 0.000 0.495 355 L N 1.587 122.833 121.223 0.038 0.000 2.483 355 L HA -0.069 4.271 4.340 -0.000 0.000 0.275 355 L C 2.148 179.040 176.870 0.037 0.000 1.220 355 L CA 0.059 54.923 54.840 0.039 0.000 0.833 355 L CB 0.332 42.428 42.059 0.062 0.000 1.102 355 L HN 0.912 nan 8.230 nan 0.000 0.490 356 T N -1.706 112.869 114.554 0.035 0.000 2.881 356 T HA -0.152 4.198 4.350 -0.000 0.000 0.270 356 T C 1.100 175.818 174.700 0.030 0.000 1.068 356 T CA 1.792 63.909 62.100 0.028 0.000 1.131 356 T CB -0.009 68.874 68.868 0.025 0.000 0.871 356 T HN 0.765 nan 8.240 nan 0.000 0.479 357 N N 0.148 118.871 118.700 0.038 0.000 2.500 357 N HA 0.360 5.100 4.740 -0.000 0.000 0.292 357 N C 0.604 176.138 175.510 0.040 0.000 0.775 357 N CA 1.232 54.302 53.050 0.034 0.000 1.052 357 N CB 0.933 39.437 38.487 0.028 0.000 1.737 357 N HN 0.745 nan 8.380 nan 0.000 1.182 358 G N 0.089 108.920 108.800 0.053 0.000 2.466 358 G HA2 0.489 4.449 3.960 -0.000 0.000 0.316 358 G HA3 0.489 4.449 3.960 -0.000 0.000 0.316 358 G C -1.342 173.587 174.900 0.049 0.000 1.270 358 G CA -0.007 45.127 45.100 0.058 0.000 0.982 358 G HN 1.087 nan 8.290 nan 0.000 0.506 359 A N -1.537 121.307 122.820 0.040 0.000 2.612 359 A HA 0.953 5.273 4.320 -0.000 0.000 0.293 359 A C -1.595 175.980 177.584 -0.015 0.000 1.075 359 A CA 0.230 52.278 52.037 0.018 0.000 0.680 359 A CB 1.968 20.991 19.000 0.038 0.000 1.279 359 A HN 2.411 nan 8.150 nan 0.000 0.411 360 L N 0.583 121.770 121.223 -0.060 0.000 2.470 360 L HA 0.777 5.117 4.340 -0.000 0.000 0.268 360 L C -1.261 175.485 176.870 -0.207 0.000 0.964 360 L CA 0.000 54.765 54.840 -0.125 0.000 0.839 360 L CB 1.909 43.915 42.059 -0.089 0.000 1.276 360 L HN 0.699 nan 8.230 nan 0.000 0.403 361 E N 3.636 123.590 120.200 -0.411 0.000 2.272 361 E HA 0.670 5.020 4.350 -0.000 0.000 0.269 361 E C -1.045 175.195 176.600 -0.601 0.000 0.877 361 E CA -0.788 55.303 56.400 -0.515 0.000 0.755 361 E CB 2.252 31.524 29.700 -0.712 0.000 1.192 361 E HN 0.775 nan 8.360 nan 0.000 0.422 362 A N 2.094 124.719 122.820 -0.324 0.000 2.340 362 A HA 0.463 4.783 4.320 -0.000 0.000 0.268 362 A C 0.522 178.023 177.584 -0.138 0.000 1.100 362 A CA -0.258 51.648 52.037 -0.217 0.000 0.803 362 A CB 0.525 19.452 19.000 -0.121 0.000 1.043 362 A HN 0.531 nan 8.150 nan 0.000 0.488 363 S N 0.000 115.677 115.700 -0.038 0.000 2.498 363 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 363 S CA 0.000 58.253 58.200 0.089 0.000 1.107 363 S CB 0.000 63.242 63.200 0.070 0.000 0.593 363 S HN 0.000 nan 8.310 nan 0.000 0.517