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 1h8e_1_D DATA FIRST_RESID 9 DATA SEQUENCE TTGRIVAVIG AVVDVQFDEG LPPILNALEV QGRETRLVLE VAQHLGESTV DATA SEQUENCE RTIAMDGTEG LVRGQKVLDS GAPIRIPVGP ETLGRIMNVI GEPIDERGPI DATA SEQUENCE KTKQFAAIHA EAPEFVEMSV EQEILVTGIK VVDLLAPYAK GGKIGLFGGA DATA SEQUENCE GVGKTVLIME LINNVAKAHG GYSVFAGVGE RTREGNDLYH EMIESGVINL DATA SEQUENCE KDATSKVALV YGQMNEPPGA RARVALTGLT VAEYFRDQEG QDVLLFIDNI DATA SEQUENCE FRFTQAGSEV SALLGRIPSA VGYQPTLATD MGTMQERITT TKKGSITSVQ DATA SEQUENCE AIYVPADDLT DPAPATTFAH LDATTVLSRA IAELGIYPAV DPLDSTSRIM DATA SEQUENCE DPNIVGSEHY DVARGVQKIL QDYKSLQDII AILGMDELSE EDKLTVSRAR DATA SEQUENCE KIQRFLSQPF QVAEVFTGHL GKLVPLKETI KGFQQILAGE YDHLPEQAFY DATA SEQUENCE MVGPIEEAVA KADKLAE 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 9 T HA 0.000 nan 4.350 nan 0.000 0.228 9 T C 0.000 174.842 174.700 0.237 0.000 1.109 9 T CA 0.000 62.183 62.100 0.138 0.000 1.349 9 T CB 0.000 68.946 68.868 0.130 0.000 0.612 10 T N 1.748 116.416 114.554 0.190 0.000 2.807 10 T HA 0.806 5.156 4.350 -0.000 0.000 0.279 10 T C 0.446 175.027 174.700 -0.199 0.000 0.993 10 T CA -0.206 61.929 62.100 0.058 0.000 0.970 10 T CB 1.465 70.330 68.868 -0.006 0.000 0.950 10 T HN 1.122 nan 8.240 nan 0.000 0.441 11 G N 1.856 110.300 108.800 -0.593 0.000 2.788 11 G HA2 0.772 4.731 3.960 -0.000 0.000 0.293 11 G HA3 0.772 4.731 3.960 -0.000 0.000 0.293 11 G C -1.242 173.343 174.900 -0.525 0.000 1.305 11 G CA -0.899 43.544 45.100 -1.094 0.000 1.005 11 G HN 0.593 nan 8.290 nan 0.000 0.496 12 R N -0.544 119.694 120.500 -0.437 0.000 2.621 12 R HA 0.372 4.712 4.340 -0.000 0.000 0.292 12 R C -0.516 175.676 176.300 -0.179 0.000 0.969 12 R CA -0.763 55.198 56.100 -0.232 0.000 0.887 12 R CB 2.492 32.694 30.300 -0.164 0.000 1.180 12 R HN 0.380 nan 8.270 nan 0.000 0.450 13 I N 3.355 123.855 120.570 -0.117 0.000 2.598 13 I HA -0.087 4.083 4.170 -0.000 0.000 0.284 13 I C 1.567 177.648 176.117 -0.060 0.000 1.140 13 I CA 0.178 61.434 61.300 -0.074 0.000 1.420 13 I CB 0.907 38.878 38.000 -0.048 0.000 1.387 13 I HN 0.560 nan 8.210 nan 0.000 0.553 14 V N 3.035 122.922 119.914 -0.045 0.000 3.621 14 V HA 0.562 4.682 4.120 -0.000 0.000 0.263 14 V C 0.584 176.666 176.094 -0.020 0.000 1.272 14 V CA 0.353 62.633 62.300 -0.033 0.000 1.080 14 V CB 0.060 31.865 31.823 -0.031 0.000 0.816 14 V HN 0.726 nan 8.190 nan 0.000 0.451 15 A N -0.360 122.451 122.820 -0.015 0.000 2.574 15 A HA 0.815 5.135 4.320 -0.000 0.000 0.297 15 A C -1.311 176.270 177.584 -0.006 0.000 1.062 15 A CA -0.415 51.617 52.037 -0.008 0.000 0.686 15 A CB 2.282 21.280 19.000 -0.003 0.000 1.285 15 A HN 0.466 nan 8.150 nan 0.000 0.403 16 V N 2.602 122.513 119.914 -0.005 0.000 2.524 16 V HA 0.493 4.613 4.120 -0.000 0.000 0.297 16 V C -0.947 175.146 176.094 -0.003 0.000 1.035 16 V CA -0.025 62.273 62.300 -0.003 0.000 0.867 16 V CB 1.288 33.108 31.823 -0.005 0.000 1.004 16 V HN 0.703 nan 8.190 nan 0.000 0.426 17 I N 4.688 125.258 120.570 -0.001 0.000 2.542 17 I HA 0.624 4.794 4.170 -0.000 0.000 0.278 17 I C 0.962 177.078 176.117 -0.003 0.000 1.069 17 I CA 0.020 61.319 61.300 -0.002 0.000 1.100 17 I CB 1.390 39.389 38.000 -0.002 0.000 1.204 17 I HN 0.823 nan 8.210 nan 0.000 0.470 18 G N 4.585 113.383 108.800 -0.003 0.000 2.591 18 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.298 18 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.298 18 G C 0.913 175.811 174.900 -0.002 0.000 1.195 18 G CA 0.550 45.647 45.100 -0.004 0.000 0.989 18 G HN 0.797 nan 8.290 nan 0.000 0.551 19 A N -0.730 122.088 122.820 -0.004 0.000 2.167 19 A HA 0.537 4.857 4.320 -0.000 0.000 0.214 19 A C 1.177 178.762 177.584 0.002 0.000 1.151 19 A CA 1.814 53.850 52.037 -0.002 0.000 0.735 19 A CB -0.040 18.956 19.000 -0.007 0.000 0.802 19 A HN 1.430 nan 8.150 nan 0.000 0.467 20 V N 1.153 121.068 119.914 0.001 0.000 2.383 20 V HA 0.370 4.490 4.120 -0.000 0.000 0.275 20 V C -0.540 175.559 176.094 0.009 0.000 1.036 20 V CA -0.345 61.958 62.300 0.006 0.000 0.889 20 V CB 1.260 33.085 31.823 0.003 0.000 0.985 20 V HN 0.090 nan 8.190 nan 0.000 0.459 21 V N 4.130 124.054 119.914 0.015 0.000 2.444 21 V HA 0.446 4.566 4.120 -0.000 0.000 0.294 21 V C -0.674 175.435 176.094 0.024 0.000 1.022 21 V CA -0.812 61.497 62.300 0.015 0.000 0.850 21 V CB 1.988 33.821 31.823 0.015 0.000 0.992 21 V HN 0.784 nan 8.190 nan 0.000 0.426 22 D N 3.295 123.705 120.400 0.017 0.000 2.225 22 D HA 0.569 5.209 4.640 -0.000 0.000 0.248 22 D C -0.469 175.840 176.300 0.014 0.000 1.096 22 D CA 0.027 54.042 54.000 0.025 0.000 0.863 22 D CB 2.126 42.936 40.800 0.016 0.000 1.156 22 D HN 0.278 nan 8.370 nan 0.000 0.450 23 V N 2.336 122.273 119.914 0.039 0.000 2.588 23 V HA 0.314 4.434 4.120 -0.000 0.000 0.304 23 V C -0.142 175.949 176.094 -0.006 0.000 1.042 23 V CA -0.915 61.379 62.300 -0.011 0.000 0.877 23 V CB 1.942 33.781 31.823 0.027 0.000 0.996 23 V HN 0.390 nan 8.190 nan 0.000 0.425 24 Q N 2.814 122.531 119.800 -0.138 0.000 2.271 24 Q HA 0.613 4.953 4.340 -0.000 0.000 0.258 24 Q C -1.928 173.902 176.000 -0.283 0.000 0.936 24 Q CA -0.497 55.250 55.803 -0.093 0.000 0.909 24 Q CB 1.428 30.127 28.738 -0.065 0.000 1.253 24 Q HN 0.650 nan 8.270 nan 0.000 0.440 25 F N 2.505 122.424 119.950 -0.051 0.000 2.449 25 F HA 0.231 4.758 4.527 -0.000 0.000 0.342 25 F C 0.622 176.395 175.800 -0.044 0.000 1.127 25 F CA -0.675 57.296 58.000 -0.048 0.000 0.975 25 F CB 1.661 40.625 39.000 -0.061 0.000 1.146 25 F HN 0.617 nan 8.300 nan 0.000 0.444 26 D N 1.274 121.727 120.400 0.088 0.000 2.234 26 D HA -0.069 4.571 4.640 -0.000 0.000 0.205 26 D C 0.184 176.522 176.300 0.063 0.000 0.962 26 D CA 1.231 55.261 54.000 0.051 0.000 0.855 26 D CB 0.361 41.170 40.800 0.015 0.000 0.951 26 D HN 0.546 nan 8.370 nan 0.000 0.500 27 E N -0.565 119.692 120.200 0.096 0.000 2.302 27 E HA 0.450 4.800 4.350 -0.000 0.000 0.263 27 E C -0.975 175.662 176.600 0.062 0.000 0.897 27 E CA -0.476 55.961 56.400 0.063 0.000 0.809 27 E CB 1.499 31.227 29.700 0.047 0.000 1.270 27 E HN 0.089 nan 8.360 nan 0.000 0.410 28 G N 4.213 113.020 108.800 0.012 0.000 3.316 28 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.445 28 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.445 28 G C -0.558 174.251 174.900 -0.153 0.000 1.002 28 G CA -0.520 44.553 45.100 -0.044 0.000 0.818 28 G HN 0.456 nan 8.290 nan 0.000 0.404 29 L N 4.617 125.714 121.223 -0.209 0.000 2.349 29 L HA 0.419 4.759 4.340 -0.000 0.000 0.275 29 L C -1.094 175.544 176.870 -0.385 0.000 1.115 29 L CA -1.869 52.718 54.840 -0.422 0.000 0.820 29 L CB 1.258 43.045 42.059 -0.453 0.000 1.135 29 L HN 0.401 nan 8.230 nan 0.000 0.445 30 P HA 0.175 nan 4.420 nan 0.000 0.271 30 P C -2.604 174.692 177.300 -0.006 0.000 1.216 30 P CA -1.324 61.597 63.100 -0.299 0.000 0.771 30 P CB 0.140 31.616 31.700 -0.374 0.000 0.864 31 P HA 0.145 nan 4.420 nan 0.000 0.269 31 P C 0.444 177.716 177.300 -0.047 0.000 1.215 31 P CA -0.073 63.025 63.100 -0.003 0.000 0.780 31 P CB 0.454 32.122 31.700 -0.053 0.000 0.898 32 I N 2.807 123.272 120.570 -0.175 0.000 2.752 32 I HA -0.136 4.034 4.170 -0.000 0.000 0.289 32 I C 1.477 177.508 176.117 -0.143 0.000 1.197 32 I CA 0.772 61.975 61.300 -0.161 0.000 1.432 32 I CB -0.398 37.464 38.000 -0.230 0.000 1.359 32 I HN 0.455 nan 8.210 nan 0.000 0.571 33 L N 1.984 123.126 121.223 -0.136 0.000 3.271 33 L HA -0.228 4.112 4.340 -0.000 0.000 0.429 33 L C 0.313 177.137 176.870 -0.077 0.000 0.724 33 L CA 0.110 54.837 54.840 -0.188 0.000 2.742 33 L CB -1.378 40.476 42.059 -0.342 0.000 0.986 33 L HN 0.654 nan 8.230 nan 0.000 0.656 34 N N 1.364 120.037 118.700 -0.046 0.000 2.441 34 N HA 0.445 5.185 4.740 -0.000 0.000 0.251 34 N C 0.249 175.767 175.510 0.014 0.000 1.242 34 N CA 0.987 54.028 53.050 -0.015 0.000 0.898 34 N CB 0.832 39.301 38.487 -0.030 0.000 1.100 34 N HN 0.317 nan 8.380 nan 0.000 0.443 35 A N 2.623 125.458 122.820 0.026 0.000 2.289 35 A HA 0.506 4.826 4.320 -0.000 0.000 0.298 35 A C -0.274 177.334 177.584 0.040 0.000 1.208 35 A CA -0.534 51.526 52.037 0.039 0.000 0.845 35 A CB -0.014 19.008 19.000 0.037 0.000 1.125 35 A HN 0.621 nan 8.150 nan 0.000 0.517 36 L N 2.092 123.351 121.223 0.059 0.000 2.334 36 L HA 0.507 4.847 4.340 -0.000 0.000 0.275 36 L C -0.089 176.818 176.870 0.061 0.000 1.036 36 L CA -0.733 54.158 54.840 0.084 0.000 0.807 36 L CB 1.424 43.567 42.059 0.139 0.000 1.231 36 L HN 0.585 nan 8.230 nan 0.000 0.438 37 E N 2.281 122.514 120.200 0.055 0.000 2.145 37 E HA 0.307 4.657 4.350 -0.000 0.000 0.270 37 E C -0.875 175.741 176.600 0.026 0.000 0.906 37 E CA -0.621 55.799 56.400 0.033 0.000 0.761 37 E CB 2.584 32.297 29.700 0.021 0.000 1.116 37 E HN 0.197 nan 8.360 nan 0.000 0.408 38 V N 4.205 124.130 119.914 0.018 0.000 2.508 38 V HA -0.000 4.120 4.120 -0.000 0.000 0.281 38 V C 0.598 176.692 176.094 0.001 0.000 1.041 38 V CA -0.333 61.971 62.300 0.007 0.000 1.016 38 V CB 0.870 32.696 31.823 0.004 0.000 0.984 38 V HN 0.477 nan 8.190 nan 0.000 0.478 39 Q N 2.415 122.211 119.800 -0.007 0.000 2.260 39 Q HA 0.449 4.789 4.340 -0.000 0.000 0.238 39 Q C 1.112 177.106 176.000 -0.010 0.000 0.948 39 Q CA 0.394 56.191 55.803 -0.008 0.000 0.895 39 Q CB 1.123 29.853 28.738 -0.013 0.000 1.218 39 Q HN 1.141 nan 8.270 nan 0.000 0.470 40 G N 1.598 110.393 108.800 -0.008 0.000 2.225 40 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.264 40 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.264 40 G C -0.259 174.637 174.900 -0.006 0.000 1.060 40 G CA -0.046 45.049 45.100 -0.008 0.000 0.833 40 G HN 0.291 nan 8.290 nan 0.000 0.498 41 R N -0.553 119.945 120.500 -0.003 0.000 2.740 41 R HA 0.451 4.791 4.340 -0.000 0.000 0.282 41 R C 0.795 177.094 176.300 -0.000 0.000 0.969 41 R CA -0.938 55.161 56.100 -0.002 0.000 0.918 41 R CB 1.151 31.451 30.300 0.000 0.000 1.175 41 R HN 0.142 nan 8.270 nan 0.000 0.464 42 E N 0.751 120.951 120.200 0.000 0.000 2.150 42 E HA -0.056 4.294 4.350 -0.000 0.000 0.193 42 E C 0.542 177.143 176.600 0.002 0.000 0.985 42 E CA 1.289 57.690 56.400 0.001 0.000 0.814 42 E CB 0.114 29.815 29.700 0.001 0.000 0.752 42 E HN 0.699 nan 8.360 nan 0.000 0.466 43 T N -1.825 112.731 114.554 0.003 0.000 2.876 43 T HA 0.474 4.824 4.350 -0.000 0.000 0.289 43 T C -0.069 174.634 174.700 0.006 0.000 1.014 43 T CA -1.006 61.097 62.100 0.005 0.000 0.986 43 T CB 2.474 71.346 68.868 0.005 0.000 1.021 43 T HN -0.118 nan 8.240 nan 0.000 0.458 44 R N 1.196 121.701 120.500 0.008 0.000 2.485 44 R HA 0.191 4.531 4.340 -0.000 0.000 0.304 44 R C -0.781 175.526 176.300 0.011 0.000 0.934 44 R CA -0.237 55.869 56.100 0.009 0.000 1.102 44 R CB -0.251 30.056 30.300 0.011 0.000 0.906 44 R HN 0.597 nan 8.270 nan 0.000 0.407 45 L N 6.041 127.271 121.223 0.012 0.000 2.316 45 L HA 0.367 4.707 4.340 -0.000 0.000 0.280 45 L C -1.242 175.639 176.870 0.019 0.000 1.006 45 L CA -0.494 54.355 54.840 0.014 0.000 0.836 45 L CB 1.820 43.886 42.059 0.011 0.000 1.221 45 L HN 0.332 nan 8.230 nan 0.000 0.418 46 V N 6.224 126.152 119.914 0.023 0.000 2.481 46 V HA 0.462 4.582 4.120 -0.000 0.000 0.286 46 V C 0.040 176.155 176.094 0.035 0.000 1.042 46 V CA -0.508 61.810 62.300 0.030 0.000 0.928 46 V CB 1.634 33.477 31.823 0.033 0.000 0.986 46 V HN 0.613 nan 8.190 nan 0.000 0.462 47 L N 4.165 125.414 121.223 0.043 0.000 2.325 47 L HA 0.572 4.912 4.340 -0.000 0.000 0.281 47 L C -0.049 176.854 176.870 0.055 0.000 1.004 47 L CA -0.319 54.550 54.840 0.048 0.000 0.823 47 L CB 1.820 43.913 42.059 0.056 0.000 1.236 47 L HN 0.639 nan 8.230 nan 0.000 0.415 48 E N 2.579 122.809 120.200 0.051 0.000 2.174 48 E HA 0.323 4.673 4.350 -0.000 0.000 0.282 48 E C -0.907 175.717 176.600 0.040 0.000 0.992 48 E CA -0.761 55.670 56.400 0.051 0.000 0.803 48 E CB 1.818 31.559 29.700 0.068 0.000 1.090 48 E HN 0.316 nan 8.360 nan 0.000 0.396 49 V N 4.076 124.008 119.914 0.031 0.000 2.585 49 V HA 0.070 4.189 4.120 -0.000 0.000 0.296 49 V C 0.896 176.993 176.094 0.005 0.000 1.035 49 V CA 0.930 63.252 62.300 0.036 0.000 1.084 49 V CB 0.903 32.750 31.823 0.039 0.000 0.953 49 V HN 0.889 nan 8.190 nan 0.000 0.483 50 A N 4.165 126.996 122.820 0.018 0.000 2.138 50 A HA 0.385 4.705 4.320 -0.000 0.000 0.203 50 A C 0.608 178.187 177.584 -0.009 0.000 1.286 50 A CA 0.164 52.198 52.037 -0.005 0.000 0.929 50 A CB 0.424 19.426 19.000 0.003 0.000 0.975 50 A HN 0.792 nan 8.150 nan 0.000 0.480 51 Q N -1.257 118.565 119.800 0.037 0.000 2.522 51 Q HA 0.367 4.707 4.340 -0.000 0.000 0.285 51 Q C -1.656 174.464 176.000 0.201 0.000 0.982 51 Q CA -0.601 55.230 55.803 0.047 0.000 0.805 51 Q CB 1.506 30.268 28.738 0.041 0.000 1.457 51 Q HN 0.570 nan 8.270 nan 0.000 0.394 52 H N 1.423 120.486 119.070 -0.011 0.000 2.597 52 H HA 0.267 4.823 4.556 -0.000 0.000 0.303 52 H C 0.424 175.754 175.328 0.003 0.000 1.057 52 H CA -0.314 55.731 56.048 -0.005 0.000 1.261 52 H CB 1.027 30.780 29.762 -0.016 0.000 1.397 52 H HN 0.431 nan 8.280 nan 0.000 0.461 53 L N 2.917 124.201 121.223 0.101 0.000 2.492 53 L HA 0.167 4.507 4.340 -0.000 0.000 0.223 53 L C 1.228 178.124 176.870 0.043 0.000 1.132 53 L CA 0.527 55.403 54.840 0.060 0.000 0.850 53 L CB -0.009 42.075 42.059 0.041 0.000 0.966 53 L HN 0.885 nan 8.230 nan 0.000 0.454 54 G N -0.021 108.801 108.800 0.037 0.000 2.525 54 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.685 54 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.685 54 G C -0.169 174.734 174.900 0.006 0.000 1.290 54 G CA -0.563 44.550 45.100 0.021 0.000 0.915 54 G HN 0.264 nan 8.290 nan 0.000 0.548 55 E N -0.745 119.458 120.200 0.004 0.000 2.238 55 E HA -0.208 4.142 4.350 -0.000 0.000 0.219 55 E C 1.084 177.683 176.600 -0.001 0.000 1.275 55 E CA 0.922 57.323 56.400 0.001 0.000 0.714 55 E CB -1.597 28.105 29.700 0.004 0.000 1.154 55 E HN 1.990 nan 8.360 nan 0.000 0.363 56 S N -1.978 113.715 115.700 -0.011 0.000 3.420 56 S HA -0.248 4.222 4.470 -0.000 0.000 0.367 56 S C 0.223 174.833 174.600 0.017 0.000 1.063 56 S CA 1.490 59.683 58.200 -0.011 0.000 1.073 56 S CB -1.189 62.021 63.200 0.018 0.000 0.905 56 S HN 0.477 nan 8.310 nan 0.000 0.485 57 T N 1.362 115.917 114.554 0.002 0.000 2.829 57 T HA 0.634 4.984 4.350 -0.000 0.000 0.280 57 T C 0.276 174.989 174.700 0.022 0.000 0.999 57 T CA -0.407 61.714 62.100 0.034 0.000 0.983 57 T CB 1.868 70.751 68.868 0.024 0.000 0.968 57 T HN 0.513 nan 8.240 nan 0.000 0.446 58 V N 1.205 121.164 119.914 0.075 0.000 2.667 58 V HA 0.755 4.875 4.120 -0.000 0.000 0.308 58 V C -0.206 175.948 176.094 0.099 0.000 1.048 58 V CA -1.341 61.013 62.300 0.091 0.000 0.928 58 V CB 1.639 33.522 31.823 0.101 0.000 1.004 58 V HN 0.856 nan 8.190 nan 0.000 0.444 59 R N 2.136 122.692 120.500 0.093 0.000 2.407 59 R HA 0.753 5.093 4.340 -0.000 0.000 0.303 59 R C -0.133 176.205 176.300 0.063 0.000 0.981 59 R CA 0.312 56.450 56.100 0.064 0.000 0.905 59 R CB 1.615 31.943 30.300 0.047 0.000 1.099 59 R HN 1.182 nan 8.270 nan 0.000 0.459 60 T N 1.735 116.320 114.554 0.052 0.000 2.887 60 T HA 0.537 4.887 4.350 -0.000 0.000 0.292 60 T C -0.020 174.698 174.700 0.031 0.000 1.087 60 T CA -1.025 61.104 62.100 0.047 0.000 1.009 60 T CB 1.121 70.026 68.868 0.062 0.000 1.203 60 T HN 0.592 nan 8.240 nan 0.000 0.518 61 I N -0.163 120.423 120.570 0.027 0.000 2.404 61 I HA 0.834 5.004 4.170 -0.000 0.000 0.293 61 I C 0.024 176.155 176.117 0.024 0.000 0.992 61 I CA -1.435 59.876 61.300 0.019 0.000 1.149 61 I CB 1.368 39.374 38.000 0.010 0.000 1.315 61 I HN 0.898 nan 8.210 nan 0.000 0.446 62 A N 6.873 129.704 122.820 0.018 0.000 2.354 62 A HA 0.530 4.850 4.320 -0.000 0.000 0.269 62 A C 0.687 178.282 177.584 0.018 0.000 1.109 62 A CA -0.628 51.420 52.037 0.019 0.000 0.800 62 A CB 0.831 19.839 19.000 0.013 0.000 1.045 62 A HN 0.888 nan 8.150 nan 0.000 0.489 63 M N 0.750 120.363 119.600 0.022 0.000 2.495 63 M HA 0.177 4.657 4.480 -0.000 0.000 0.237 63 M C -0.147 176.164 176.300 0.018 0.000 1.131 63 M CA 0.647 55.960 55.300 0.022 0.000 1.032 63 M CB -0.910 31.707 32.600 0.028 0.000 1.513 63 M HN 0.826 nan 8.290 nan 0.000 0.488 64 D N -1.234 119.175 120.400 0.015 0.000 2.768 64 D HA 0.426 5.066 4.640 -0.000 0.000 0.327 64 D C -0.549 175.756 176.300 0.009 0.000 1.302 64 D CA -0.200 53.807 54.000 0.012 0.000 0.897 64 D CB 1.023 41.831 40.800 0.013 0.000 1.420 64 D HN 0.105 nan 8.370 nan 0.000 0.494 65 G N -0.885 107.919 108.800 0.007 0.000 2.484 65 G HA2 0.328 4.288 3.960 -0.000 0.000 0.235 65 G HA3 0.328 4.288 3.960 -0.000 0.000 0.235 65 G C 0.882 175.784 174.900 0.004 0.000 1.282 65 G CA 0.672 45.775 45.100 0.004 0.000 0.857 65 G HN 0.424 nan 8.290 nan 0.000 0.571 66 T N -1.491 113.064 114.554 0.002 0.000 3.069 66 T HA 0.127 4.477 4.350 -0.000 0.000 0.252 66 T C 0.767 175.466 174.700 -0.001 0.000 1.053 66 T CA 0.118 62.218 62.100 0.001 0.000 0.964 66 T CB 0.052 68.920 68.868 0.001 0.000 1.005 66 T HN 0.639 nan 8.240 nan 0.000 0.532 67 E N 2.080 122.280 120.200 -0.000 0.000 2.414 67 E HA 0.301 4.651 4.350 -0.000 0.000 0.263 67 E C 1.124 177.723 176.600 -0.002 0.000 1.000 67 E CA 0.556 56.955 56.400 -0.001 0.000 0.914 67 E CB 0.119 29.818 29.700 -0.001 0.000 0.948 67 E HN 0.483 nan 8.360 nan 0.000 0.444 68 G N 2.765 111.563 108.800 -0.003 0.000 2.176 68 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.253 68 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.253 68 G C 0.229 175.125 174.900 -0.006 0.000 0.979 68 G CA 0.194 45.291 45.100 -0.004 0.000 0.641 68 G HN 0.479 nan 8.290 nan 0.000 0.530 69 L N 0.371 121.590 121.223 -0.006 0.000 2.436 69 L HA 0.609 4.949 4.340 -0.000 0.000 0.265 69 L C 0.603 177.466 176.870 -0.012 0.000 1.168 69 L CA -0.565 54.270 54.840 -0.009 0.000 0.815 69 L CB 1.366 43.420 42.059 -0.008 0.000 1.109 69 L HN -0.005 nan 8.230 nan 0.000 0.462 70 V N 2.050 121.955 119.914 -0.016 0.000 2.876 70 V HA 0.379 4.499 4.120 -0.000 0.000 0.312 70 V C -0.170 175.910 176.094 -0.023 0.000 1.085 70 V CA -0.925 61.364 62.300 -0.017 0.000 0.945 70 V CB 2.172 33.985 31.823 -0.017 0.000 1.017 70 V HN 0.645 nan 8.190 nan 0.000 0.428 71 R N 2.000 122.487 120.500 -0.023 0.000 2.370 71 R HA 0.469 4.809 4.340 -0.000 0.000 0.309 71 R C 1.153 177.433 176.300 -0.034 0.000 1.059 71 R CA 1.008 57.091 56.100 -0.028 0.000 0.981 71 R CB 0.279 30.565 30.300 -0.023 0.000 0.972 71 R HN 1.183 nan 8.270 nan 0.000 0.437 72 G N 1.978 110.750 108.800 -0.046 0.000 2.253 72 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.209 72 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.209 72 G C 0.155 175.021 174.900 -0.055 0.000 0.997 72 G CA -0.366 44.704 45.100 -0.051 0.000 0.640 72 G HN 0.570 nan 8.290 nan 0.000 0.496 73 Q N 1.045 120.815 119.800 -0.049 0.000 2.330 73 Q HA 0.461 4.801 4.340 -0.000 0.000 0.279 73 Q C 0.174 176.134 176.000 -0.066 0.000 1.024 73 Q CA 0.305 56.080 55.803 -0.047 0.000 0.900 73 Q CB 0.331 29.048 28.738 -0.035 0.000 1.221 73 Q HN 0.296 nan 8.270 nan 0.000 0.396 74 K N 1.457 121.819 120.400 -0.062 0.000 2.185 74 K HA 0.404 4.724 4.320 -0.000 0.000 0.271 74 K C -1.236 175.322 176.600 -0.069 0.000 1.013 74 K CA -0.278 55.960 56.287 -0.081 0.000 0.943 74 K CB 1.474 33.936 32.500 -0.063 0.000 0.998 74 K HN 0.341 nan 8.250 nan 0.000 0.468 75 V N 3.720 123.575 119.914 -0.098 0.000 2.638 75 V HA 0.374 4.494 4.120 -0.000 0.000 0.306 75 V C -0.755 175.344 176.094 0.010 0.000 1.052 75 V CA -0.930 61.344 62.300 -0.042 0.000 0.885 75 V CB 1.556 33.349 31.823 -0.050 0.000 0.999 75 V HN 0.548 nan 8.190 nan 0.000 0.424 76 L N 3.208 124.469 121.223 0.063 0.000 2.295 76 L HA 0.510 4.850 4.340 -0.000 0.000 0.285 76 L C -0.228 176.726 176.870 0.140 0.000 1.035 76 L CA -0.497 54.404 54.840 0.100 0.000 0.806 76 L CB 1.663 43.753 42.059 0.052 0.000 1.214 76 L HN 0.627 nan 8.230 nan 0.000 0.426 77 D N 1.321 121.825 120.400 0.174 0.000 2.343 77 D HA 0.021 4.661 4.640 -0.000 0.000 0.255 77 D C 1.079 177.402 176.300 0.038 0.000 1.187 77 D CA -0.101 53.954 54.000 0.093 0.000 0.875 77 D CB 1.485 42.294 40.800 0.016 0.000 1.136 77 D HN 0.546 nan 8.370 nan 0.000 0.469 78 S N 2.636 118.349 115.700 0.021 0.000 2.481 78 S HA 0.104 4.574 4.470 -0.000 0.000 0.231 78 S C 1.670 176.262 174.600 -0.013 0.000 0.996 78 S CA 0.509 58.709 58.200 -0.000 0.000 0.942 78 S CB -0.171 63.025 63.200 -0.007 0.000 0.768 78 S HN 0.905 nan 8.310 nan 0.000 0.520 79 G N 0.226 109.015 108.800 -0.017 0.000 2.141 79 G HA2 0.156 4.116 3.960 -0.000 0.000 0.242 79 G HA3 0.156 4.116 3.960 -0.000 0.000 0.242 79 G C 0.114 175.001 174.900 -0.022 0.000 0.982 79 G CA -0.158 44.927 45.100 -0.024 0.000 0.662 79 G HN 1.586 nan 8.290 nan 0.000 0.527 80 A N -1.244 121.566 122.820 -0.016 0.000 2.586 80 A HA 0.903 5.223 4.320 -0.000 0.000 0.290 80 A C -3.039 174.551 177.584 0.009 0.000 1.086 80 A CA -0.570 51.463 52.037 -0.006 0.000 0.665 80 A CB 0.858 19.854 19.000 -0.007 0.000 1.279 80 A HN 0.132 nan 8.150 nan 0.000 0.423 81 P HA 0.376 nan 4.420 nan 0.000 0.274 81 P C -0.354 176.991 177.300 0.076 0.000 1.260 81 P CA -0.301 62.844 63.100 0.075 0.000 0.793 81 P CB 0.212 32.000 31.700 0.146 0.000 1.048 82 I N 0.933 121.564 120.570 0.101 0.000 2.821 82 I HA -0.077 4.093 4.170 -0.000 0.000 0.294 82 I C 1.075 177.229 176.117 0.062 0.000 1.210 82 I CA 0.960 62.301 61.300 0.068 0.000 1.430 82 I CB -0.211 37.830 38.000 0.069 0.000 1.356 82 I HN 0.148 nan 8.210 nan 0.000 0.563 83 R N 7.323 127.856 120.500 0.056 0.000 2.562 83 R HA 0.755 5.095 4.340 -0.000 0.000 0.298 83 R C -0.755 175.664 176.300 0.198 0.000 0.961 83 R CA -0.798 55.362 56.100 0.100 0.000 0.881 83 R CB 2.110 32.445 30.300 0.059 0.000 1.159 83 R HN 0.585 nan 8.270 nan 0.000 0.450 84 I N -1.500 119.219 120.570 0.248 0.000 3.042 84 I HA 0.639 4.809 4.170 -0.000 0.000 0.310 84 I C -2.664 173.492 176.117 0.065 0.000 1.117 84 I CA -3.417 58.014 61.300 0.220 0.000 1.003 84 I CB 2.312 40.342 38.000 0.049 0.000 1.228 84 I HN 0.296 nan 8.210 nan 0.000 0.443 85 P HA 0.202 nan 4.420 nan 0.000 0.271 85 P C -0.695 176.334 177.300 -0.452 0.000 1.220 85 P CA -0.105 62.587 63.100 -0.679 0.000 0.768 85 P CB 0.900 32.303 31.700 -0.495 0.000 0.848 86 V N 0.227 119.807 119.914 -0.558 0.000 3.040 86 V HA 1.027 5.147 4.120 -0.000 0.000 0.312 86 V C 0.106 175.607 176.094 -0.988 0.000 1.115 86 V CA -0.339 61.565 62.300 -0.660 0.000 0.998 86 V CB 1.419 32.907 31.823 -0.560 0.000 1.042 86 V HN 0.944 nan 8.190 nan 0.000 0.433 87 G N 2.295 110.309 108.800 -1.310 0.000 2.371 87 G HA2 0.120 4.080 3.960 -0.000 0.000 0.663 87 G HA3 0.120 4.080 3.960 -0.000 0.000 0.663 87 G C -2.565 172.142 174.900 -0.321 0.000 1.311 87 G CA -0.062 44.392 45.100 -1.075 0.000 0.985 87 G HN 0.664 nan 8.290 nan 0.000 0.566 88 P HA -0.002 nan 4.420 nan 0.000 0.219 88 P C 1.222 178.505 177.300 -0.028 0.000 1.146 88 P CA 1.524 64.658 63.100 0.057 0.000 0.808 88 P CB 0.076 31.814 31.700 0.064 0.000 0.779 89 E N -0.907 119.243 120.200 -0.083 0.000 2.478 89 E HA -0.081 4.269 4.350 -0.000 0.000 0.198 89 E C 1.733 178.288 176.600 -0.074 0.000 1.046 89 E CA 1.260 57.613 56.400 -0.079 0.000 0.870 89 E CB -1.083 28.557 29.700 -0.100 0.000 0.818 89 E HN 0.405 nan 8.360 nan 0.000 0.527 90 T N -1.942 112.567 114.554 -0.075 0.000 3.113 90 T HA 0.097 4.447 4.350 -0.000 0.000 0.256 90 T C 0.678 175.387 174.700 0.015 0.000 1.131 90 T CA -0.126 61.950 62.100 -0.041 0.000 1.074 90 T CB -0.174 68.661 68.868 -0.055 0.000 0.944 90 T HN -0.044 nan 8.240 nan 0.000 0.516 91 L N 1.553 122.775 121.223 -0.001 0.000 2.367 91 L HA 0.541 4.881 4.340 -0.000 0.000 0.275 91 L C 1.674 178.545 176.870 0.001 0.000 1.129 91 L CA 0.543 55.364 54.840 -0.031 0.000 0.839 91 L CB 0.443 42.409 42.059 -0.155 0.000 1.133 91 L HN 0.440 nan 8.230 nan 0.000 0.453 92 G N 1.441 110.262 108.800 0.035 0.000 2.205 92 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.261 92 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.261 92 G C 0.425 175.387 174.900 0.104 0.000 0.980 92 G CA -0.317 44.823 45.100 0.066 0.000 0.632 92 G HN 0.455 nan 8.290 nan 0.000 0.533 93 R N -0.169 120.374 120.500 0.071 0.000 2.691 93 R HA 0.792 5.132 4.340 -0.000 0.000 0.259 93 R C 0.273 176.598 176.300 0.041 0.000 1.048 93 R CA -0.925 55.206 56.100 0.052 0.000 1.086 93 R CB 0.676 30.985 30.300 0.016 0.000 1.166 93 R HN 0.324 nan 8.270 nan 0.000 0.526 94 I N 1.605 122.165 120.570 -0.016 0.000 2.418 94 I HA 0.407 4.577 4.170 -0.000 0.000 0.287 94 I C 0.007 176.124 176.117 -0.001 0.000 1.008 94 I CA -0.356 60.935 61.300 -0.016 0.000 1.104 94 I CB 1.572 39.477 38.000 -0.158 0.000 1.264 94 I HN 0.196 nan 8.210 nan 0.000 0.438 95 M N 5.285 124.907 119.600 0.038 0.000 2.578 95 M HA 0.400 4.880 4.480 -0.000 0.000 0.321 95 M C -0.291 176.040 176.300 0.052 0.000 1.182 95 M CA -0.709 54.608 55.300 0.028 0.000 0.965 95 M CB 2.122 34.731 32.600 0.017 0.000 1.694 95 M HN 0.645 nan 8.290 nan 0.000 0.461 96 N N 0.343 119.067 118.700 0.040 0.000 2.566 96 N HA 0.204 4.944 4.740 -0.000 0.000 0.299 96 N C 0.440 175.971 175.510 0.035 0.000 1.277 96 N CA -0.820 52.259 53.050 0.048 0.000 0.965 96 N CB -0.063 38.447 38.487 0.038 0.000 1.142 96 N HN 0.439 nan 8.380 nan 0.000 0.596 97 V N -0.446 119.487 119.914 0.033 0.000 2.380 97 V HA -0.150 3.970 4.120 -0.000 0.000 0.251 97 V C 1.477 177.583 176.094 0.020 0.000 1.063 97 V CA 1.924 64.237 62.300 0.021 0.000 1.055 97 V CB -0.789 31.048 31.823 0.023 0.000 0.657 97 V HN 0.647 nan 8.190 nan 0.000 0.455 98 I N -2.146 118.441 120.570 0.029 0.000 3.884 98 I HA 0.565 4.735 4.170 -0.000 0.000 0.330 98 I C 1.267 177.413 176.117 0.048 0.000 1.451 98 I CA 0.460 61.781 61.300 0.035 0.000 1.165 98 I CB -0.286 37.735 38.000 0.035 0.000 1.097 98 I HN 0.272 nan 8.210 nan 0.000 0.404 99 G N 1.033 109.858 108.800 0.041 0.000 2.148 99 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.254 99 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.254 99 G C -0.084 174.846 174.900 0.050 0.000 0.981 99 G CA 0.058 45.186 45.100 0.046 0.000 0.670 99 G HN 0.650 nan 8.290 nan 0.000 0.528 100 E N 1.650 121.874 120.200 0.042 0.000 2.343 100 E HA 0.373 4.723 4.350 -0.000 0.000 0.269 100 E C -2.087 174.524 176.600 0.018 0.000 1.047 100 E CA -1.731 54.690 56.400 0.034 0.000 0.874 100 E CB 1.209 30.926 29.700 0.028 0.000 1.033 100 E HN 0.218 nan 8.360 nan 0.000 0.409 101 P HA 0.019 nan 4.420 nan 0.000 0.271 101 P C -0.019 177.273 177.300 -0.013 0.000 1.216 101 P CA 0.444 63.541 63.100 -0.004 0.000 0.771 101 P CB 0.353 32.051 31.700 -0.003 0.000 0.864 102 I N -0.604 119.945 120.570 -0.035 0.000 3.813 102 I HA 0.258 4.428 4.170 -0.000 0.000 0.323 102 I C 0.039 176.097 176.117 -0.100 0.000 1.536 102 I CA -0.359 60.910 61.300 -0.052 0.000 1.083 102 I CB 0.122 38.096 38.000 -0.044 0.000 1.265 102 I HN 0.031 nan 8.210 nan 0.000 0.507 103 D N -0.229 120.113 120.400 -0.097 0.000 2.395 103 D HA 0.013 4.653 4.640 -0.000 0.000 0.213 103 D C 0.509 176.789 176.300 -0.033 0.000 1.110 103 D CA -0.091 53.837 54.000 -0.120 0.000 0.835 103 D CB 0.008 40.729 40.800 -0.133 0.000 0.965 103 D HN 0.171 nan 8.370 nan 0.000 0.505 104 E N 0.160 120.348 120.200 -0.021 0.000 2.660 104 E HA -0.266 4.084 4.350 -0.000 0.000 0.260 104 E C 0.163 176.771 176.600 0.014 0.000 1.122 104 E CA 0.415 56.815 56.400 0.001 0.000 0.755 104 E CB -1.788 27.917 29.700 0.008 0.000 1.345 104 E HN 0.596 nan 8.360 nan 0.000 0.421 105 R N -0.123 120.385 120.500 0.014 0.000 2.586 105 R HA 0.345 4.685 4.340 -0.000 0.000 0.336 105 R C 1.099 177.408 176.300 0.014 0.000 1.060 105 R CA 0.349 56.462 56.100 0.022 0.000 1.079 105 R CB 0.905 31.225 30.300 0.034 0.000 1.317 105 R HN 0.313 nan 8.270 nan 0.000 0.568 106 G N 2.124 110.931 108.800 0.011 0.000 2.681 106 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.220 106 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.220 106 G C -2.497 172.409 174.900 0.009 0.000 1.353 106 G CA -1.205 43.901 45.100 0.010 0.000 0.872 106 G HN 0.056 nan 8.290 nan 0.000 0.557 107 P HA 0.363 nan 4.420 nan 0.000 0.267 107 P C 0.101 177.402 177.300 0.003 0.000 1.200 107 P CA 0.064 63.173 63.100 0.015 0.000 0.772 107 P CB 0.299 32.013 31.700 0.023 0.000 0.855 108 I N 3.101 123.668 120.570 -0.005 0.000 2.276 108 I HA 0.117 4.287 4.170 -0.000 0.000 0.290 108 I C 0.750 176.829 176.117 -0.063 0.000 1.109 108 I CA -0.269 61.006 61.300 -0.042 0.000 1.229 108 I CB -0.033 37.927 38.000 -0.066 0.000 1.452 108 I HN 0.055 nan 8.210 nan 0.000 0.497 109 K N 5.554 125.926 120.400 -0.047 0.000 2.121 109 K HA 0.147 4.467 4.320 -0.000 0.000 0.235 109 K C 0.452 176.998 176.600 -0.090 0.000 1.200 109 K CA -0.220 56.041 56.287 -0.043 0.000 1.115 109 K CB -0.319 32.172 32.500 -0.015 0.000 1.474 109 K HN 0.571 nan 8.250 nan 0.000 0.295 110 T N -1.684 112.765 114.554 -0.174 0.000 2.881 110 T HA 0.231 4.581 4.350 -0.000 0.000 0.278 110 T C 0.967 175.563 174.700 -0.173 0.000 0.982 110 T CA -0.855 61.100 62.100 -0.241 0.000 0.989 110 T CB 1.584 70.189 68.868 -0.438 0.000 1.058 110 T HN 0.289 nan 8.240 nan 0.000 0.529 111 K N 0.142 120.452 120.400 -0.150 0.000 2.211 111 K HA 0.093 4.413 4.320 -0.000 0.000 0.201 111 K C 1.062 177.640 176.600 -0.037 0.000 1.052 111 K CA 0.368 56.622 56.287 -0.055 0.000 0.973 111 K CB 0.077 32.562 32.500 -0.024 0.000 0.766 111 K HN 0.696 nan 8.250 nan 0.000 0.466 112 Q N -0.019 119.694 119.800 -0.145 0.000 2.484 112 Q HA 0.377 4.717 4.340 -0.000 0.000 0.285 112 Q C -1.083 174.741 176.000 -0.293 0.000 1.097 112 Q CA -0.726 55.039 55.803 -0.063 0.000 0.802 112 Q CB 1.157 29.904 28.738 0.016 0.000 1.444 112 Q HN -0.085 nan 8.270 nan 0.000 0.429 113 F N -0.267 119.648 119.950 -0.059 0.000 2.556 113 F HA 0.846 5.373 4.527 0.000 0.000 0.327 113 F C -0.281 175.495 175.800 -0.040 0.000 1.059 113 F CA -0.581 57.383 58.000 -0.061 0.000 0.953 113 F CB 2.496 41.473 39.000 -0.038 0.000 1.227 113 F HN 0.816 nan 8.300 nan 0.000 0.478 114 A N 0.943 123.848 122.820 0.142 0.000 2.486 114 A HA 0.807 5.127 4.320 -0.000 0.000 0.300 114 A C -1.122 176.508 177.584 0.077 0.000 1.048 114 A CA -0.703 51.384 52.037 0.083 0.000 0.696 114 A CB 0.935 19.954 19.000 0.032 0.000 1.278 114 A HN 1.025 nan 8.150 nan 0.000 0.405 115 A N 1.245 124.104 122.820 0.066 0.000 2.462 115 A HA 0.445 4.765 4.320 -0.000 0.000 0.243 115 A C 1.070 178.667 177.584 0.021 0.000 1.076 115 A CA 0.298 52.371 52.037 0.061 0.000 0.773 115 A CB -0.395 18.649 19.000 0.073 0.000 1.010 115 A HN 1.707 nan 8.150 nan 0.000 0.493 116 I N -0.931 119.628 120.570 -0.019 0.000 3.428 116 I HA 0.096 4.266 4.170 -0.000 0.000 0.286 116 I C 0.133 176.089 176.117 -0.268 0.000 1.287 116 I CA 0.292 61.507 61.300 -0.141 0.000 1.396 116 I CB -0.313 37.580 38.000 -0.178 0.000 1.062 116 I HN 0.485 nan 8.210 nan 0.000 0.471 117 H N 2.371 121.446 119.070 0.007 0.000 2.459 117 H HA 0.819 5.375 4.556 -0.000 0.000 0.332 117 H C -0.555 174.773 175.328 0.000 0.000 1.094 117 H CA -0.289 55.761 56.048 0.004 0.000 1.224 117 H CB 1.869 31.635 29.762 0.007 0.000 1.449 117 H HN 0.381 nan 8.280 nan 0.000 0.484 118 A N 2.900 125.776 122.820 0.094 0.000 2.612 118 A HA 0.324 4.644 4.320 -0.000 0.000 0.293 118 A C -0.611 176.996 177.584 0.039 0.000 1.075 118 A CA -0.937 51.132 52.037 0.052 0.000 0.680 118 A CB 1.591 20.604 19.000 0.021 0.000 1.279 118 A HN 0.558 nan 8.150 nan 0.000 0.411 119 E N 0.637 120.854 120.200 0.028 0.000 2.398 119 E HA 0.437 4.787 4.350 -0.000 0.000 0.263 119 E C 0.516 177.123 176.600 0.013 0.000 1.046 119 E CA 0.321 56.735 56.400 0.022 0.000 0.908 119 E CB 1.209 30.920 29.700 0.019 0.000 0.963 119 E HN 0.830 nan 8.360 nan 0.000 0.431 120 A N 3.813 126.642 122.820 0.014 0.000 2.322 120 A HA 0.426 4.746 4.320 -0.000 0.000 0.269 120 A C -2.061 175.531 177.584 0.014 0.000 1.094 120 A CA -1.240 50.802 52.037 0.008 0.000 0.807 120 A CB -0.348 18.660 19.000 0.014 0.000 1.047 120 A HN 0.324 nan 8.150 nan 0.000 0.487 121 P HA 0.101 nan 4.420 nan 0.000 0.265 121 P C -0.183 177.134 177.300 0.028 0.000 1.187 121 P CA 0.122 63.226 63.100 0.007 0.000 0.766 121 P CB 0.388 32.083 31.700 -0.009 0.000 0.820 122 E N 1.309 121.529 120.200 0.034 0.000 2.369 122 E HA 0.025 4.375 4.350 -0.000 0.000 0.255 122 E C 0.841 177.498 176.600 0.094 0.000 1.172 122 E CA -0.371 56.072 56.400 0.072 0.000 0.932 122 E CB 0.176 29.917 29.700 0.069 0.000 1.040 122 E HN 0.392 nan 8.360 nan 0.000 0.454 123 F N 1.881 121.831 119.950 0.000 0.000 2.120 123 F HA -0.244 4.283 4.527 -0.000 0.000 0.300 123 F C 1.898 177.697 175.800 -0.002 0.000 1.095 123 F CA 1.871 59.872 58.000 0.000 0.000 1.249 123 F CB -0.246 38.754 39.000 0.001 0.000 0.995 123 F HN 0.270 nan 8.300 nan 0.000 0.480 124 V N -2.054 117.861 119.914 0.002 0.000 2.913 124 V HA -0.175 3.945 4.120 -0.000 0.000 0.260 124 V C 1.475 177.490 176.094 -0.131 0.000 1.098 124 V CA 1.915 64.163 62.300 -0.086 0.000 1.121 124 V CB -1.086 30.747 31.823 0.015 0.000 0.714 124 V HN 0.443 nan 8.190 nan 0.000 0.487 125 E N 0.076 120.212 120.200 -0.107 0.000 2.479 125 E HA 0.192 4.542 4.350 -0.000 0.000 0.193 125 E C 0.628 177.151 176.600 -0.128 0.000 1.049 125 E CA -0.247 56.097 56.400 -0.093 0.000 0.870 125 E CB 0.040 29.711 29.700 -0.050 0.000 0.944 125 E HN 0.498 nan 8.360 nan 0.000 0.492 126 M N 0.779 120.248 119.600 -0.217 0.000 2.240 126 M HA 0.114 4.594 4.480 -0.000 0.000 0.333 126 M C 0.413 176.614 176.300 -0.165 0.000 1.110 126 M CA 0.235 55.417 55.300 -0.197 0.000 1.173 126 M CB 1.074 33.513 32.600 -0.267 0.000 1.458 126 M HN -0.155 nan 8.290 nan 0.000 0.458 127 S N 0.836 116.470 115.700 -0.110 0.000 2.500 127 S HA 0.564 5.033 4.470 -0.000 0.000 0.301 127 S C 0.301 174.861 174.600 -0.066 0.000 1.092 127 S CA -0.876 57.274 58.200 -0.082 0.000 1.030 127 S CB 1.060 64.226 63.200 -0.058 0.000 1.031 127 S HN 0.542 nan 8.310 nan 0.000 0.483 128 V N 0.864 120.744 119.914 -0.057 0.000 3.483 128 V HA 0.478 4.598 4.120 -0.000 0.000 0.301 128 V C 0.151 176.231 176.094 -0.023 0.000 1.389 128 V CA -0.354 61.924 62.300 -0.037 0.000 1.101 128 V CB -0.550 31.253 31.823 -0.034 0.000 0.971 128 V HN 0.639 nan 8.190 nan 0.000 0.434 129 E N 2.671 122.857 120.200 -0.023 0.000 2.414 129 E HA 0.350 4.700 4.350 -0.000 0.000 0.263 129 E C -0.273 176.324 176.600 -0.006 0.000 1.000 129 E CA 0.552 56.944 56.400 -0.014 0.000 0.914 129 E CB 0.426 30.117 29.700 -0.014 0.000 0.948 129 E HN 0.746 nan 8.360 nan 0.000 0.444 130 Q N 2.095 121.896 119.800 0.001 0.000 2.269 130 Q HA 0.440 4.780 4.340 -0.000 0.000 0.263 130 Q C -0.785 175.225 176.000 0.017 0.000 0.983 130 Q CA -0.390 55.420 55.803 0.011 0.000 0.777 130 Q CB 2.132 30.878 28.738 0.013 0.000 1.273 130 Q HN 0.341 nan 8.270 nan 0.000 0.440 131 E N 2.012 122.227 120.200 0.025 0.000 2.248 131 E HA 0.395 4.745 4.350 -0.000 0.000 0.267 131 E C -0.846 175.783 176.600 0.048 0.000 0.877 131 E CA -0.864 55.555 56.400 0.031 0.000 0.759 131 E CB 2.858 32.574 29.700 0.028 0.000 1.182 131 E HN 0.507 nan 8.360 nan 0.000 0.418 132 I N 2.895 123.498 120.570 0.054 0.000 2.775 132 I HA -0.098 4.072 4.170 -0.000 0.000 0.290 132 I C -0.804 175.358 176.117 0.076 0.000 1.203 132 I CA 0.165 61.508 61.300 0.072 0.000 1.433 132 I CB 0.349 38.396 38.000 0.079 0.000 1.354 132 I HN 0.378 nan 8.210 nan 0.000 0.579 133 L N 9.102 130.383 121.223 0.096 0.000 2.337 133 L HA 0.390 4.730 4.340 -0.000 0.000 0.269 133 L C -0.712 176.206 176.870 0.081 0.000 1.018 133 L CA -0.369 54.532 54.840 0.100 0.000 0.876 133 L CB 1.032 43.172 42.059 0.134 0.000 1.236 133 L HN 0.319 nan 8.230 nan 0.000 0.436 134 V N 4.010 123.957 119.914 0.056 0.000 2.585 134 V HA 0.165 4.285 4.120 -0.000 0.000 0.296 134 V C 1.494 177.597 176.094 0.014 0.000 1.035 134 V CA 0.786 63.101 62.300 0.026 0.000 1.084 134 V CB 0.919 32.760 31.823 0.029 0.000 0.953 134 V HN 0.917 nan 8.190 nan 0.000 0.483 135 T N -0.112 114.423 114.554 -0.031 0.000 2.990 135 T HA 0.311 4.661 4.350 -0.000 0.000 0.250 135 T C 1.397 176.070 174.700 -0.045 0.000 1.041 135 T CA 0.788 62.866 62.100 -0.036 0.000 1.010 135 T CB 0.605 69.414 68.868 -0.099 0.000 1.003 135 T HN 1.487 nan 8.240 nan 0.000 0.499 136 G N 1.613 110.391 108.800 -0.037 0.000 2.199 136 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.254 136 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.254 136 G C 0.000 174.888 174.900 -0.020 0.000 0.982 136 G CA 0.043 45.128 45.100 -0.026 0.000 0.632 136 G HN 0.647 nan 8.290 nan 0.000 0.529 137 I N 1.578 122.128 120.570 -0.035 0.000 2.312 137 I HA 0.236 4.406 4.170 -0.000 0.000 0.291 137 I C 1.663 177.790 176.117 0.017 0.000 1.031 137 I CA -0.638 60.676 61.300 0.023 0.000 1.293 137 I CB 1.196 39.206 38.000 0.017 0.000 1.403 137 I HN 0.032 nan 8.210 nan 0.000 0.484 138 K N 3.918 124.339 120.400 0.036 0.000 2.000 138 K HA -0.215 4.105 4.320 -0.000 0.000 0.218 138 K C 1.852 178.453 176.600 0.003 0.000 1.053 138 K CA 1.642 57.949 56.287 0.032 0.000 0.946 138 K CB -0.252 32.264 32.500 0.026 0.000 0.723 138 K HN 0.577 nan 8.250 nan 0.000 0.446 139 V N 1.254 121.172 119.914 0.007 0.000 2.332 139 V HA -0.219 3.901 4.120 -0.000 0.000 0.248 139 V C 2.106 178.173 176.094 -0.046 0.000 1.055 139 V CA 1.677 63.953 62.300 -0.039 0.000 1.038 139 V CB -0.089 31.738 31.823 0.006 0.000 0.651 139 V HN 0.172 nan 8.190 nan 0.000 0.450 140 V N 0.547 120.434 119.914 -0.044 0.000 2.261 140 V HA -0.214 3.906 4.120 -0.000 0.000 0.246 140 V C 2.405 178.420 176.094 -0.131 0.000 1.047 140 V CA 2.488 64.711 62.300 -0.128 0.000 1.015 140 V CB -0.867 30.779 31.823 -0.294 0.000 0.642 140 V HN 0.583 nan 8.190 nan 0.000 0.446 141 D N -0.326 120.013 120.400 -0.102 0.000 2.144 141 D HA -0.122 4.518 4.640 -0.000 0.000 0.199 141 D C 1.904 178.242 176.300 0.063 0.000 0.984 141 D CA 1.020 54.998 54.000 -0.037 0.000 0.834 141 D CB -0.227 40.550 40.800 -0.039 0.000 0.955 141 D HN 0.314 nan 8.370 nan 0.000 0.465 142 L N 0.336 121.560 121.223 0.000 0.000 1.961 142 L HA -0.063 4.277 4.340 -0.000 0.000 0.209 142 L C 2.162 179.117 176.870 0.141 0.000 1.075 142 L CA 1.555 56.410 54.840 0.025 0.000 0.749 142 L CB -0.545 41.391 42.059 -0.204 0.000 0.890 142 L HN -0.018 nan 8.230 nan 0.000 0.433 143 L N -1.063 120.156 121.223 -0.007 0.000 2.209 143 L HA 0.177 4.517 4.340 -0.000 0.000 0.207 143 L C 0.816 177.692 176.870 0.010 0.000 1.094 143 L CA 0.664 55.491 54.840 -0.021 0.000 0.790 143 L CB -0.342 41.680 42.059 -0.062 0.000 0.932 143 L HN 0.364 nan 8.230 nan 0.000 0.447 144 A N 0.149 122.986 122.820 0.028 0.000 3.409 144 A HA 0.427 4.747 4.320 -0.000 0.000 0.282 144 A C -2.618 175.009 177.584 0.071 0.000 1.064 144 A CA -0.871 51.206 52.037 0.066 0.000 0.889 144 A CB -0.172 18.891 19.000 0.105 0.000 1.251 144 A HN -0.142 nan 8.150 nan 0.000 0.538 145 P HA 0.074 nan 4.420 nan 0.000 0.268 145 P C -0.470 176.930 177.300 0.167 0.000 1.205 145 P CA 0.644 63.757 63.100 0.022 0.000 0.771 145 P CB 0.266 32.004 31.700 0.063 0.000 0.858 146 Y N 0.477 120.813 120.300 0.061 0.000 2.300 146 Y HA 0.443 4.993 4.550 -0.000 0.000 0.328 146 Y C 1.104 177.026 175.900 0.036 0.000 1.270 146 Y CA -1.264 56.863 58.100 0.046 0.000 1.352 146 Y CB 0.901 39.387 38.460 0.044 0.000 1.286 146 Y HN 0.371 nan 8.280 nan 0.000 0.536 147 A N 2.339 125.276 122.820 0.194 0.000 2.365 147 A HA 0.406 4.726 4.320 -0.000 0.000 0.318 147 A C -0.927 176.697 177.584 0.068 0.000 1.091 147 A CA -1.059 51.041 52.037 0.105 0.000 0.763 147 A CB 1.144 20.184 19.000 0.067 0.000 1.248 147 A HN 0.781 nan 8.150 nan 0.000 0.442 148 K N 0.767 121.201 120.400 0.056 0.000 2.447 148 K HA 0.350 4.670 4.320 -0.000 0.000 0.281 148 K C 1.237 177.842 176.600 0.009 0.000 1.031 148 K CA 1.604 57.911 56.287 0.033 0.000 1.019 148 K CB 0.047 32.570 32.500 0.038 0.000 0.918 148 K HN 1.685 nan 8.250 nan 0.000 0.476 149 G N 2.385 111.177 108.800 -0.014 0.000 2.179 149 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.260 149 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.260 149 G C 0.365 175.244 174.900 -0.036 0.000 0.977 149 G CA 0.018 45.101 45.100 -0.027 0.000 0.641 149 G HN 0.906 nan 8.290 nan 0.000 0.533 150 G N -0.651 108.129 108.800 -0.034 0.000 2.531 150 G HA2 0.601 4.561 3.960 -0.000 0.000 0.313 150 G HA3 0.601 4.561 3.960 -0.000 0.000 0.313 150 G C -0.202 174.654 174.900 -0.073 0.000 1.238 150 G CA -0.715 44.363 45.100 -0.035 0.000 0.994 150 G HN 0.364 nan 8.290 nan 0.000 0.493 151 K N 0.125 120.488 120.400 -0.061 0.000 2.240 151 K HA 0.424 4.744 4.320 -0.000 0.000 0.271 151 K C -0.970 175.566 176.600 -0.107 0.000 1.018 151 K CA -0.233 56.001 56.287 -0.087 0.000 0.874 151 K CB 1.914 34.388 32.500 -0.043 0.000 1.098 151 K HN 0.225 nan 8.250 nan 0.000 0.458 152 I N 1.372 121.825 120.570 -0.195 0.000 2.404 152 I HA 0.347 4.517 4.170 -0.000 0.000 0.293 152 I C 0.357 176.339 176.117 -0.224 0.000 0.992 152 I CA -0.440 60.689 61.300 -0.286 0.000 1.149 152 I CB 2.093 39.738 38.000 -0.591 0.000 1.315 152 I HN 0.635 nan 8.210 nan 0.000 0.446 153 G N 6.493 115.199 108.800 -0.157 0.000 2.566 153 G HA2 0.717 4.677 3.960 -0.000 0.000 0.311 153 G HA3 0.717 4.677 3.960 -0.000 0.000 0.311 153 G C -1.091 173.722 174.900 -0.145 0.000 1.322 153 G CA -0.538 44.429 45.100 -0.221 0.000 0.969 153 G HN 0.444 nan 8.290 nan 0.000 0.490 154 L N 2.236 123.330 121.223 -0.214 0.000 2.301 154 L HA 0.430 4.770 4.340 -0.000 0.000 0.278 154 L C -0.866 175.923 176.870 -0.135 0.000 1.022 154 L CA -0.613 54.199 54.840 -0.046 0.000 0.854 154 L CB 0.830 42.903 42.059 0.022 0.000 1.226 154 L HN 0.324 nan 8.230 nan 0.000 0.429 155 F N 1.448 121.388 119.950 -0.016 0.000 2.396 155 F HA 0.737 5.264 4.527 -0.000 0.000 0.343 155 F C 1.012 176.805 175.800 -0.012 0.000 1.104 155 F CA -0.346 57.626 58.000 -0.047 0.000 1.161 155 F CB 1.823 40.778 39.000 -0.076 0.000 1.146 155 F HN 0.439 nan 8.300 nan 0.000 0.522 156 G N 0.952 109.815 108.800 0.106 0.000 2.655 156 G HA2 0.481 4.441 3.960 -0.000 0.000 0.296 156 G HA3 0.481 4.441 3.960 -0.000 0.000 0.296 156 G C -0.665 174.172 174.900 -0.106 0.000 1.485 156 G CA -0.407 44.717 45.100 0.040 0.000 0.869 156 G HN 0.917 nan 8.290 nan 0.000 0.540 157 G N -0.432 108.284 108.800 -0.139 0.000 2.611 157 G HA2 0.653 4.613 3.960 -0.000 0.000 0.273 157 G HA3 0.653 4.613 3.960 -0.000 0.000 0.273 157 G C 0.742 175.571 174.900 -0.119 0.000 1.305 157 G CA 0.394 45.326 45.100 -0.279 0.000 1.010 157 G HN 1.695 nan 8.290 nan 0.000 0.509 158 A N -1.313 121.501 122.820 -0.011 0.000 2.492 158 A HA 0.529 4.848 4.320 -0.000 0.000 0.254 158 A C 1.445 179.103 177.584 0.122 0.000 1.091 158 A CA 0.969 53.140 52.037 0.223 0.000 0.768 158 A CB -0.536 18.636 19.000 0.286 0.000 1.028 158 A HN 2.540 nan 8.150 nan 0.000 0.498 159 G N 0.918 109.792 108.800 0.123 0.000 2.176 159 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.252 159 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.252 159 G C 0.632 175.576 174.900 0.074 0.000 1.024 159 G CA 0.860 46.006 45.100 0.076 0.000 0.755 159 G HN 2.183 nan 8.290 nan 0.000 0.507 160 V N -3.670 116.296 119.914 0.088 0.000 3.660 160 V HA 0.687 4.807 4.120 -0.000 0.000 0.276 160 V C 1.606 177.792 176.094 0.154 0.000 1.317 160 V CA 1.229 63.596 62.300 0.110 0.000 1.097 160 V CB 0.377 32.244 31.823 0.073 0.000 0.863 160 V HN 2.074 nan 8.190 nan 0.000 0.438 161 G N 0.460 109.333 108.800 0.122 0.000 2.234 161 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.153 161 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.153 161 G C 0.609 175.595 174.900 0.145 0.000 1.013 161 G CA 0.147 45.326 45.100 0.132 0.000 0.712 161 G HN 0.423 nan 8.290 nan 0.000 0.491 162 K N 0.116 120.593 120.400 0.129 0.000 2.032 162 K HA -0.059 4.261 4.320 -0.000 0.000 0.209 162 K C 2.451 179.134 176.600 0.138 0.000 1.048 162 K CA 1.932 58.297 56.287 0.129 0.000 0.927 162 K CB -0.310 32.254 32.500 0.107 0.000 0.712 162 K HN 0.268 nan 8.250 nan 0.000 0.441 163 T N 1.140 115.773 114.554 0.132 0.000 2.812 163 T HA -0.068 4.282 4.350 -0.000 0.000 0.264 163 T C 2.081 176.870 174.700 0.149 0.000 1.042 163 T CA 0.917 63.103 62.100 0.143 0.000 1.140 163 T CB -0.143 68.810 68.868 0.142 0.000 0.870 163 T HN -0.062 nan 8.240 nan 0.000 0.445 164 V N 1.701 121.707 119.914 0.153 0.000 2.392 164 V HA -0.133 3.987 4.120 -0.000 0.000 0.249 164 V C 2.380 178.626 176.094 0.253 0.000 1.059 164 V CA 1.321 63.745 62.300 0.208 0.000 1.051 164 V CB -0.645 31.291 31.823 0.189 0.000 0.658 164 V HN 0.334 nan 8.190 nan 0.000 0.455 165 L N -0.329 121.054 121.223 0.266 0.000 2.056 165 L HA -0.097 4.243 4.340 -0.000 0.000 0.207 165 L C 2.116 179.066 176.870 0.133 0.000 1.078 165 L CA 1.740 56.742 54.840 0.271 0.000 0.749 165 L CB -0.460 41.777 42.059 0.296 0.000 0.901 165 L HN 0.236 nan 8.230 nan 0.000 0.433 166 I N -1.178 119.469 120.570 0.129 0.000 2.226 166 I HA -0.299 3.871 4.170 -0.000 0.000 0.245 166 I C 2.054 178.160 176.117 -0.018 0.000 1.100 166 I CA 1.049 62.401 61.300 0.087 0.000 1.374 166 I CB 0.034 38.111 38.000 0.130 0.000 1.057 166 I HN 0.298 nan 8.210 nan 0.000 0.413 167 M N -0.411 119.192 119.600 0.005 0.000 2.296 167 M HA -0.175 4.305 4.480 -0.000 0.000 0.265 167 M C 2.064 178.314 176.300 -0.084 0.000 1.064 167 M CA 1.358 56.627 55.300 -0.053 0.000 1.109 167 M CB -1.328 31.277 32.600 0.007 0.000 1.396 167 M HN 0.177 nan 8.290 nan 0.000 0.430 168 E N 0.965 121.112 120.200 -0.089 0.000 2.072 168 E HA -0.068 4.282 4.350 -0.000 0.000 0.191 168 E C 2.041 178.528 176.600 -0.187 0.000 0.985 168 E CA 1.136 57.398 56.400 -0.230 0.000 0.801 168 E CB -0.281 29.043 29.700 -0.626 0.000 0.750 168 E HN 0.488 nan 8.360 nan 0.000 0.452 169 L N -0.015 121.146 121.223 -0.104 0.000 2.056 169 L HA -0.111 4.229 4.340 -0.000 0.000 0.207 169 L C 2.488 179.349 176.870 -0.014 0.000 1.078 169 L CA 0.976 55.820 54.840 0.006 0.000 0.749 169 L CB -0.391 41.766 42.059 0.163 0.000 0.901 169 L HN 0.186 nan 8.230 nan 0.000 0.433 170 I N 0.091 120.546 120.570 -0.190 0.000 2.286 170 I HA -0.316 3.854 4.170 -0.000 0.000 0.248 170 I C 2.266 178.316 176.117 -0.111 0.000 1.115 170 I CA 1.617 62.743 61.300 -0.290 0.000 1.392 170 I CB -0.353 37.334 38.000 -0.521 0.000 1.065 170 I HN 0.364 nan 8.210 nan 0.000 0.418 171 N N 0.811 119.450 118.700 -0.102 0.000 2.142 171 N HA -0.160 4.580 4.740 -0.000 0.000 0.186 171 N C 1.604 177.091 175.510 -0.039 0.000 1.023 171 N CA 1.363 54.374 53.050 -0.065 0.000 0.852 171 N CB 0.084 38.527 38.487 -0.073 0.000 0.998 171 N HN 0.177 nan 8.380 nan 0.000 0.424 172 N N -0.940 117.735 118.700 -0.043 0.000 2.290 172 N HA 0.011 4.751 4.740 -0.000 0.000 0.179 172 N C 1.200 176.726 175.510 0.027 0.000 1.016 172 N CA 0.792 53.829 53.050 -0.021 0.000 0.871 172 N CB 0.192 38.646 38.487 -0.054 0.000 0.987 172 N HN 0.123 nan 8.380 nan 0.000 0.431 173 V N -0.272 119.681 119.914 0.065 0.000 3.013 173 V HA 0.294 4.414 4.120 -0.000 0.000 0.238 173 V C 2.033 178.211 176.094 0.140 0.000 1.161 173 V CA 0.934 63.300 62.300 0.109 0.000 1.170 173 V CB -0.381 31.528 31.823 0.144 0.000 0.917 173 V HN 0.165 nan 8.190 nan 0.000 0.478 174 A N 0.322 123.233 122.820 0.152 0.000 1.872 174 A HA -0.147 4.173 4.320 -0.000 0.000 0.214 174 A C 2.205 179.884 177.584 0.158 0.000 1.187 174 A CA 1.810 53.954 52.037 0.179 0.000 0.614 174 A CB -0.406 18.713 19.000 0.199 0.000 0.826 174 A HN 0.437 nan 8.150 nan 0.000 0.442 175 K N -0.359 120.094 120.400 0.089 0.000 2.113 175 K HA -0.125 4.195 4.320 -0.000 0.000 0.208 175 K C 1.984 178.630 176.600 0.077 0.000 1.047 175 K CA 1.310 57.637 56.287 0.067 0.000 0.928 175 K CB -0.247 32.269 32.500 0.027 0.000 0.716 175 K HN 0.457 nan 8.250 nan 0.000 0.446 176 A N 0.321 123.191 122.820 0.083 0.000 2.123 176 A HA -0.060 4.260 4.320 -0.000 0.000 0.214 176 A C 0.433 178.069 177.584 0.086 0.000 1.152 176 A CA 0.112 52.189 52.037 0.066 0.000 0.728 176 A CB -0.482 18.549 19.000 0.052 0.000 0.814 176 A HN 0.371 nan 8.150 nan 0.000 0.464 177 H N 0.518 119.604 119.070 0.027 0.000 3.094 177 H HA 0.331 4.887 4.556 -0.000 0.000 0.320 177 H C 0.820 176.139 175.328 -0.014 0.000 1.000 177 H CA 0.534 56.591 56.048 0.016 0.000 1.413 177 H CB 0.365 30.153 29.762 0.043 0.000 1.405 177 H HN 0.203 nan 8.280 nan 0.000 0.586 178 G N 2.808 111.321 108.800 -0.478 0.000 2.420 178 G HA2 0.536 4.495 3.960 -0.000 0.000 0.284 178 G HA3 0.536 4.495 3.960 -0.000 0.000 0.284 178 G C 0.009 174.397 174.900 -0.854 0.000 1.177 178 G CA 0.105 44.932 45.100 -0.455 0.000 0.841 178 G HN 1.100 nan 8.290 nan 0.000 0.527 179 G N -0.017 108.423 108.800 -0.600 0.000 2.526 179 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.250 179 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.250 179 G C -0.716 173.932 174.900 -0.420 0.000 1.289 179 G CA -0.647 44.049 45.100 -0.675 0.000 0.947 179 G HN 0.815 nan 8.290 nan 0.000 0.517 180 Y N -0.252 120.062 120.300 0.024 0.000 2.534 180 Y HA 0.725 5.275 4.550 -0.000 0.000 0.329 180 Y C 0.876 176.808 175.900 0.054 0.000 1.154 180 Y CA -0.638 57.425 58.100 -0.062 0.000 1.192 180 Y CB 2.369 40.518 38.460 -0.518 0.000 1.275 180 Y HN 0.597 nan 8.280 nan 0.000 0.491 181 S N 0.764 116.592 115.700 0.212 0.000 2.536 181 S HA 0.700 5.170 4.470 -0.000 0.000 0.298 181 S C -1.283 173.421 174.600 0.174 0.000 1.083 181 S CA -0.750 57.546 58.200 0.160 0.000 0.995 181 S CB 1.946 65.299 63.200 0.255 0.000 1.058 181 S HN 0.320 nan 8.310 nan 0.000 0.488 182 V N 2.924 122.945 119.914 0.179 0.000 2.577 182 V HA 0.514 4.634 4.120 -0.000 0.000 0.303 182 V C -1.317 174.921 176.094 0.241 0.000 1.042 182 V CA -0.636 61.778 62.300 0.191 0.000 0.872 182 V CB 1.431 33.341 31.823 0.145 0.000 0.998 182 V HN 0.850 nan 8.190 nan 0.000 0.423 183 F N 4.077 124.087 119.950 0.099 0.000 2.467 183 F HA 0.804 5.331 4.527 -0.000 0.000 0.336 183 F C 0.211 175.930 175.800 -0.134 0.000 1.123 183 F CA -0.477 57.556 58.000 0.056 0.000 0.964 183 F CB 1.438 40.469 39.000 0.052 0.000 1.136 183 F HN 0.549 nan 8.300 nan 0.000 0.447 184 A N 4.578 127.099 122.820 -0.499 0.000 2.285 184 A HA 0.636 4.955 4.320 -0.000 0.000 0.310 184 A C -0.139 177.090 177.584 -0.592 0.000 1.266 184 A CA -0.398 51.380 52.037 -0.432 0.000 0.832 184 A CB 0.314 19.137 19.000 -0.294 0.000 1.163 184 A HN 1.009 nan 8.150 nan 0.000 0.499 185 G N 1.228 109.677 108.800 -0.585 0.000 2.338 185 G HA2 0.507 4.467 3.960 -0.000 0.000 0.295 185 G HA3 0.507 4.467 3.960 -0.000 0.000 0.295 185 G C -0.632 174.213 174.900 -0.092 0.000 1.132 185 G CA -0.165 44.772 45.100 -0.273 0.000 0.922 185 G HN 0.790 nan 8.290 nan 0.000 0.427 186 V N 2.527 122.419 119.914 -0.037 0.000 2.409 186 V HA 0.619 4.739 4.120 -0.000 0.000 0.290 186 V C 1.047 177.166 176.094 0.042 0.000 1.017 186 V CA 0.170 62.469 62.300 -0.002 0.000 0.841 186 V CB 0.888 32.692 31.823 -0.032 0.000 1.003 186 V HN 1.402 nan 8.190 nan 0.000 0.426 187 G N 3.194 112.027 108.800 0.056 0.000 2.203 187 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.263 187 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.263 187 G C 0.204 175.140 174.900 0.060 0.000 1.012 187 G CA 0.621 45.749 45.100 0.048 0.000 0.749 187 G HN 0.590 nan 8.290 nan 0.000 0.512 188 E N -0.617 119.642 120.200 0.099 0.000 2.819 188 E HA 0.489 4.839 4.350 -0.000 0.000 0.241 188 E C 0.938 177.606 176.600 0.113 0.000 0.987 188 E CA -0.908 55.557 56.400 0.108 0.000 1.024 188 E CB 0.426 30.210 29.700 0.141 0.000 1.448 188 E HN 0.400 nan 8.360 nan 0.000 0.484 189 R N 0.265 120.833 120.500 0.114 0.000 2.298 189 R HA 0.216 4.556 4.340 -0.000 0.000 0.310 189 R C 1.135 177.482 176.300 0.079 0.000 1.068 189 R CA 0.035 56.187 56.100 0.085 0.000 0.957 189 R CB 0.318 30.664 30.300 0.076 0.000 1.003 189 R HN 0.388 nan 8.270 nan 0.000 0.454 190 T N 2.286 116.865 114.554 0.041 0.000 2.759 190 T HA -0.217 4.133 4.350 -0.000 0.000 0.269 190 T C 1.784 176.466 174.700 -0.031 0.000 1.042 190 T CA 1.509 63.601 62.100 -0.013 0.000 1.140 190 T CB -0.159 68.698 68.868 -0.018 0.000 0.864 190 T HN 0.581 nan 8.240 nan 0.000 0.455 191 R N 1.280 121.784 120.500 0.006 0.000 2.103 191 R HA -0.189 4.151 4.340 -0.000 0.000 0.242 191 R C 2.125 178.435 176.300 0.018 0.000 1.142 191 R CA 2.017 58.126 56.100 0.015 0.000 0.960 191 R CB -0.211 30.109 30.300 0.033 0.000 0.858 191 R HN 0.480 nan 8.270 nan 0.000 0.439 192 E N -0.877 119.347 120.200 0.040 0.000 2.150 192 E HA -0.099 4.251 4.350 -0.000 0.000 0.193 192 E C 1.902 178.505 176.600 0.005 0.000 0.985 192 E CA 1.011 57.443 56.400 0.054 0.000 0.814 192 E CB -0.158 29.609 29.700 0.112 0.000 0.752 192 E HN 0.643 nan 8.360 nan 0.000 0.466 193 G N 1.096 109.851 108.800 -0.076 0.000 2.422 193 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.218 193 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.218 193 G C 1.440 176.178 174.900 -0.270 0.000 1.146 193 G CA 1.030 45.894 45.100 -0.394 0.000 0.769 193 G HN 0.213 nan 8.290 nan 0.000 0.547 194 N N 0.370 118.993 118.700 -0.128 0.000 2.216 194 N HA -0.075 4.665 4.740 -0.000 0.000 0.183 194 N C 1.676 177.271 175.510 0.142 0.000 1.017 194 N CA 1.361 54.429 53.050 0.029 0.000 0.861 194 N CB -0.042 38.492 38.487 0.077 0.000 0.986 194 N HN 0.091 nan 8.380 nan 0.000 0.428 195 D N 0.178 120.620 120.400 0.070 0.000 2.097 195 D HA -0.148 4.492 4.640 -0.000 0.000 0.195 195 D C 1.864 178.188 176.300 0.040 0.000 0.989 195 D CA 0.647 54.688 54.000 0.069 0.000 0.827 195 D CB -0.454 40.367 40.800 0.036 0.000 0.966 195 D HN 0.242 nan 8.370 nan 0.000 0.456 196 L N 0.168 121.382 121.223 -0.016 0.000 2.017 196 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 196 L C 2.214 179.065 176.870 -0.031 0.000 1.073 196 L CA 1.578 56.372 54.840 -0.077 0.000 0.745 196 L CB -1.228 40.711 42.059 -0.200 0.000 0.894 196 L HN 0.028 nan 8.230 nan 0.000 0.432 197 Y N 0.327 120.520 120.300 -0.179 0.000 2.081 197 Y HA -0.320 4.230 4.550 -0.000 0.000 0.280 197 Y C 2.722 178.481 175.900 -0.235 0.000 1.163 197 Y CA 2.394 60.357 58.100 -0.229 0.000 1.135 197 Y CB -0.789 37.465 38.460 -0.345 0.000 0.970 197 Y HN 0.492 nan 8.280 nan 0.000 0.498 198 H N -0.662 118.351 119.070 -0.094 0.000 2.423 198 H HA -0.090 4.466 4.556 -0.000 0.000 0.297 198 H C 2.067 177.309 175.328 -0.143 0.000 1.075 198 H CA 1.547 57.487 56.048 -0.179 0.000 1.342 198 H CB 0.067 29.778 29.762 -0.085 0.000 1.395 198 H HN 0.485 nan 8.280 nan 0.000 0.530 199 E N 0.107 120.306 120.200 -0.002 0.000 2.107 199 E HA -0.126 4.224 4.350 -0.000 0.000 0.191 199 E C 1.867 178.429 176.600 -0.063 0.000 0.982 199 E CA 0.854 57.235 56.400 -0.032 0.000 0.809 199 E CB 0.062 29.741 29.700 -0.035 0.000 0.756 199 E HN 0.502 nan 8.360 nan 0.000 0.459 200 M N 0.184 119.730 119.600 -0.090 0.000 2.254 200 M HA -0.082 4.398 4.480 -0.000 0.000 0.265 200 M C 2.159 178.390 176.300 -0.115 0.000 1.066 200 M CA 1.124 56.372 55.300 -0.087 0.000 1.123 200 M CB -0.101 32.461 32.600 -0.064 0.000 1.388 200 M HN 0.136 nan 8.290 nan 0.000 0.425 201 I N -0.051 120.403 120.570 -0.194 0.000 2.353 201 I HA -0.222 3.948 4.170 -0.000 0.000 0.248 201 I C 2.036 178.092 176.117 -0.101 0.000 1.119 201 I CA 1.223 62.408 61.300 -0.191 0.000 1.417 201 I CB -0.301 37.517 38.000 -0.303 0.000 1.078 201 I HN 0.331 nan 8.210 nan 0.000 0.421 202 E N 0.547 120.702 120.200 -0.075 0.000 2.072 202 E HA -0.154 4.196 4.350 -0.000 0.000 0.190 202 E C 2.197 178.773 176.600 -0.040 0.000 0.982 202 E CA 1.528 57.899 56.400 -0.047 0.000 0.803 202 E CB -0.060 29.619 29.700 -0.036 0.000 0.755 202 E HN 0.447 nan 8.360 nan 0.000 0.453 203 S N -0.505 115.170 115.700 -0.041 0.000 2.522 203 S HA 0.070 4.540 4.470 -0.000 0.000 0.227 203 S C 1.693 176.279 174.600 -0.024 0.000 0.986 203 S CA 0.594 58.776 58.200 -0.029 0.000 0.929 203 S CB 0.209 63.392 63.200 -0.028 0.000 0.769 203 S HN 0.386 nan 8.310 nan 0.000 0.529 204 G N 0.255 109.035 108.800 -0.032 0.000 2.159 204 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.256 204 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.256 204 G C 0.688 175.581 174.900 -0.011 0.000 0.977 204 G CA 0.293 45.379 45.100 -0.024 0.000 0.652 204 G HN 0.670 nan 8.290 nan 0.000 0.531 205 V N 0.081 119.990 119.914 -0.008 0.000 2.667 205 V HA 0.174 4.294 4.120 -0.000 0.000 0.252 205 V C 1.573 177.677 176.094 0.015 0.000 1.065 205 V CA 1.606 63.915 62.300 0.015 0.000 1.083 205 V CB -0.101 31.735 31.823 0.022 0.000 0.692 205 V HN 0.507 nan 8.190 nan 0.000 0.468 206 I N 1.140 121.702 120.570 -0.013 0.000 2.378 206 I HA 0.327 4.497 4.170 -0.000 0.000 0.291 206 I C -0.261 175.833 176.117 -0.038 0.000 0.992 206 I CA -0.079 61.209 61.300 -0.019 0.000 1.154 206 I CB 1.317 39.292 38.000 -0.040 0.000 1.315 206 I HN 0.132 nan 8.210 nan 0.000 0.448 207 N N 7.154 125.844 118.700 -0.018 0.000 2.442 207 N HA 0.334 5.074 4.740 -0.000 0.000 0.274 207 N C 0.206 175.708 175.510 -0.014 0.000 1.002 207 N CA -0.411 52.627 53.050 -0.020 0.000 0.910 207 N CB 1.874 40.357 38.487 -0.006 0.000 1.244 207 N HN 0.589 nan 8.380 nan 0.000 0.492 208 L N 2.330 123.538 121.223 -0.024 0.000 2.599 208 L HA 0.114 4.454 4.340 -0.000 0.000 0.230 208 L C 1.401 178.271 176.870 -0.001 0.000 1.141 208 L CA 0.472 55.306 54.840 -0.009 0.000 0.877 208 L CB 0.029 42.076 42.059 -0.019 0.000 1.009 208 L HN 0.262 nan 8.230 nan 0.000 0.447 209 K N -0.317 120.081 120.400 -0.004 0.000 2.391 209 K HA 0.165 4.485 4.320 -0.000 0.000 0.197 209 K C 0.050 176.652 176.600 0.002 0.000 1.087 209 K CA 0.307 56.594 56.287 -0.000 0.000 1.012 209 K CB 0.483 32.981 32.500 -0.002 0.000 0.925 209 K HN 0.365 nan 8.250 nan 0.000 0.547 210 D N -1.376 119.026 120.400 0.003 0.000 2.801 210 D HA 0.378 5.018 4.640 -0.000 0.000 0.277 210 D C -0.374 175.931 176.300 0.007 0.000 1.125 210 D CA -0.829 53.175 54.000 0.006 0.000 1.102 210 D CB 0.295 41.099 40.800 0.006 0.000 1.400 210 D HN -0.169 nan 8.370 nan 0.000 0.601 211 A N -0.643 122.183 122.820 0.010 0.000 2.640 211 A HA 0.323 4.643 4.320 -0.000 0.000 0.282 211 A C 0.995 178.590 177.584 0.018 0.000 1.357 211 A CA 0.302 52.346 52.037 0.011 0.000 0.946 211 A CB -1.114 17.894 19.000 0.014 0.000 1.065 211 A HN 0.562 nan 8.150 nan 0.000 0.541 212 T N -2.940 111.625 114.554 0.019 0.000 3.144 212 T HA 0.165 4.515 4.350 -0.000 0.000 0.249 212 T C 0.677 175.396 174.700 0.033 0.000 1.089 212 T CA 0.183 62.300 62.100 0.030 0.000 0.989 212 T CB -0.350 68.532 68.868 0.023 0.000 0.992 212 T HN 0.155 nan 8.240 nan 0.000 0.540 213 S N 1.646 117.356 115.700 0.018 0.000 2.560 213 S HA 0.226 4.695 4.470 -0.000 0.000 0.284 213 S C 0.853 175.469 174.600 0.025 0.000 1.327 213 S CA -0.292 57.918 58.200 0.017 0.000 1.055 213 S CB 0.789 63.993 63.200 0.007 0.000 0.868 213 S HN 0.468 nan 8.310 nan 0.000 0.506 214 K N 1.087 121.524 120.400 0.062 0.000 2.447 214 K HA 0.292 4.612 4.320 -0.000 0.000 0.205 214 K C -0.957 175.711 176.600 0.113 0.000 1.059 214 K CA 0.073 56.443 56.287 0.139 0.000 1.065 214 K CB 0.884 33.490 32.500 0.177 0.000 0.885 214 K HN 0.312 nan 8.250 nan 0.000 0.545 215 V N 0.877 120.829 119.914 0.063 0.000 2.789 215 V HA 0.626 4.746 4.120 -0.000 0.000 0.311 215 V C -1.033 175.111 176.094 0.083 0.000 1.073 215 V CA -1.218 61.139 62.300 0.096 0.000 0.921 215 V CB 1.809 33.711 31.823 0.130 0.000 1.009 215 V HN 0.099 nan 8.190 nan 0.000 0.426 216 A N 4.753 127.644 122.820 0.120 0.000 2.331 216 A HA 0.917 5.237 4.320 -0.000 0.000 0.320 216 A C -1.032 176.649 177.584 0.161 0.000 1.138 216 A CA -0.528 51.587 52.037 0.130 0.000 0.790 216 A CB 0.939 20.041 19.000 0.169 0.000 1.206 216 A HN 0.784 nan 8.150 nan 0.000 0.470 217 L N 2.425 123.743 121.223 0.157 0.000 2.317 217 L HA 0.678 5.018 4.340 -0.000 0.000 0.281 217 L C -0.898 176.059 176.870 0.146 0.000 1.024 217 L CA -0.903 54.059 54.840 0.202 0.000 0.810 217 L CB 1.832 44.069 42.059 0.297 0.000 1.240 217 L HN 0.412 nan 8.230 nan 0.000 0.427 218 V N 3.134 123.074 119.914 0.044 0.000 2.525 218 V HA 0.471 4.591 4.120 -0.000 0.000 0.299 218 V C -1.281 174.735 176.094 -0.131 0.000 1.034 218 V CA -0.631 61.672 62.300 0.005 0.000 0.863 218 V CB 1.801 33.603 31.823 -0.035 0.000 0.999 218 V HN 0.462 nan 8.190 nan 0.000 0.423 219 Y N 1.552 121.875 120.300 0.040 0.000 2.492 219 Y HA 0.769 5.319 4.550 -0.000 0.000 0.346 219 Y C 0.487 176.401 175.900 0.023 0.000 0.997 219 Y CA -0.674 57.454 58.100 0.046 0.000 1.025 219 Y CB 2.903 41.383 38.460 0.033 0.000 1.263 219 Y HN 0.704 nan 8.280 nan 0.000 0.454 220 G N 3.504 112.415 108.800 0.185 0.000 3.025 220 G HA2 0.330 4.290 3.960 -0.000 0.000 0.305 220 G HA3 0.330 4.290 3.960 -0.000 0.000 0.305 220 G C -1.148 173.819 174.900 0.112 0.000 1.568 220 G CA -0.576 44.592 45.100 0.113 0.000 0.916 220 G HN 0.291 nan 8.290 nan 0.000 0.502 221 Q N 1.153 121.029 119.800 0.128 0.000 2.177 221 Q HA 0.297 4.637 4.340 -0.000 0.000 0.183 221 Q C 1.977 178.016 176.000 0.064 0.000 1.040 221 Q CA -0.746 55.125 55.803 0.114 0.000 1.089 221 Q CB 0.695 29.511 28.738 0.129 0.000 1.130 221 Q HN 0.745 nan 8.270 nan 0.000 0.575 222 M N -1.077 118.555 119.600 0.054 0.000 2.722 222 M HA 0.024 4.504 4.480 -0.000 0.000 0.238 222 M C 0.508 176.822 176.300 0.024 0.000 1.098 222 M CA 1.209 56.527 55.300 0.031 0.000 1.062 222 M CB -0.707 31.908 32.600 0.025 0.000 1.573 222 M HN 0.504 nan 8.290 nan 0.000 0.531 223 N N -0.619 118.097 118.700 0.027 0.000 2.412 223 N HA 0.070 4.810 4.740 -0.000 0.000 0.184 223 N C -0.189 175.330 175.510 0.016 0.000 1.101 223 N CA -0.268 52.793 53.050 0.018 0.000 0.881 223 N CB 0.164 38.660 38.487 0.016 0.000 0.969 223 N HN 0.299 nan 8.380 nan 0.000 0.459 224 E N 1.735 121.947 120.200 0.021 0.000 2.319 224 E HA 0.305 4.655 4.350 -0.000 0.000 0.268 224 E C -2.258 174.348 176.600 0.009 0.000 1.050 224 E CA -2.181 54.229 56.400 0.017 0.000 0.878 224 E CB 0.851 30.566 29.700 0.026 0.000 1.066 224 E HN 0.144 nan 8.360 nan 0.000 0.406 225 P HA 0.099 nan 4.420 nan 0.000 0.274 225 P C -1.965 175.331 177.300 -0.007 0.000 1.237 225 P CA -1.218 61.881 63.100 -0.001 0.000 0.793 225 P CB 0.008 31.708 31.700 0.001 0.000 0.977 226 P HA -0.200 nan 4.420 nan 0.000 0.216 226 P C 1.617 178.900 177.300 -0.030 0.000 1.150 226 P CA 2.072 65.153 63.100 -0.032 0.000 0.843 226 P CB -0.696 30.979 31.700 -0.042 0.000 0.787 227 G N 0.259 109.050 108.800 -0.015 0.000 2.422 227 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.218 227 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.218 227 G C 1.781 176.684 174.900 0.005 0.000 1.146 227 G CA 1.076 46.173 45.100 -0.005 0.000 0.769 227 G HN 0.393 nan 8.290 nan 0.000 0.547 228 A N 0.550 123.374 122.820 0.008 0.000 1.929 228 A HA 0.104 4.424 4.320 -0.000 0.000 0.216 228 A C 2.414 180.009 177.584 0.017 0.000 1.176 228 A CA 1.327 53.374 52.037 0.017 0.000 0.628 228 A CB -0.295 18.718 19.000 0.020 0.000 0.816 228 A HN 0.330 nan 8.150 nan 0.000 0.444 229 R N -0.561 119.942 120.500 0.006 0.000 2.148 229 R HA 0.018 4.358 4.340 -0.000 0.000 0.223 229 R C 2.176 178.482 176.300 0.011 0.000 1.088 229 R CA 0.926 57.029 56.100 0.005 0.000 0.985 229 R CB -0.282 30.009 30.300 -0.014 0.000 0.880 229 R HN 0.495 nan 8.270 nan 0.000 0.451 230 A N 0.449 123.260 122.820 -0.015 0.000 2.119 230 A HA -0.016 4.304 4.320 -0.000 0.000 0.216 230 A C 1.718 179.361 177.584 0.099 0.000 1.152 230 A CA 0.816 52.834 52.037 -0.031 0.000 0.708 230 A CB 0.138 19.067 19.000 -0.117 0.000 0.805 230 A HN 0.055 nan 8.150 nan 0.000 0.460 231 R N -1.729 118.816 120.500 0.074 0.000 2.394 231 R HA 0.145 4.485 4.340 -0.000 0.000 0.220 231 R C 1.675 177.989 176.300 0.024 0.000 0.887 231 R CA 0.748 56.888 56.100 0.066 0.000 1.034 231 R CB -0.888 29.434 30.300 0.037 0.000 1.179 231 R HN 0.331 nan 8.270 nan 0.000 0.561 232 V N 1.663 121.591 119.914 0.023 0.000 2.594 232 V HA -0.167 3.953 4.120 -0.000 0.000 0.253 232 V C 2.078 178.148 176.094 -0.041 0.000 1.069 232 V CA 2.027 64.323 62.300 -0.006 0.000 1.082 232 V CB -0.319 31.508 31.823 0.006 0.000 0.680 232 V HN 0.293 nan 8.190 nan 0.000 0.469 233 A N -0.503 122.296 122.820 -0.034 0.000 1.969 233 A HA -0.056 4.264 4.320 -0.000 0.000 0.218 233 A C 2.088 179.590 177.584 -0.137 0.000 1.169 233 A CA 1.643 53.616 52.037 -0.106 0.000 0.635 233 A CB -0.390 18.529 19.000 -0.136 0.000 0.810 233 A HN 0.573 nan 8.150 nan 0.000 0.445 234 L N -0.832 120.321 121.223 -0.116 0.000 2.093 234 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 234 L C 2.692 179.485 176.870 -0.128 0.000 1.085 234 L CA 1.657 56.405 54.840 -0.153 0.000 0.755 234 L CB -1.107 40.830 42.059 -0.203 0.000 0.904 234 L HN 0.313 nan 8.230 nan 0.000 0.435 235 T N -0.067 114.428 114.554 -0.097 0.000 2.746 235 T HA -0.127 4.223 4.350 -0.000 0.000 0.267 235 T C 1.876 176.534 174.700 -0.070 0.000 1.039 235 T CA 1.418 63.474 62.100 -0.073 0.000 1.142 235 T CB -0.525 68.317 68.868 -0.044 0.000 0.866 235 T HN 0.553 nan 8.240 nan 0.000 0.444 236 G N 1.556 110.309 108.800 -0.079 0.000 2.402 236 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.216 236 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.216 236 G C 1.497 176.355 174.900 -0.070 0.000 1.162 236 G CA 0.495 45.550 45.100 -0.075 0.000 0.777 236 G HN 0.365 nan 8.290 nan 0.000 0.539 237 L N 1.354 122.518 121.223 -0.098 0.000 2.042 237 L HA -0.056 4.284 4.340 -0.000 0.000 0.210 237 L C 2.818 179.648 176.870 -0.067 0.000 1.076 237 L CA 2.504 57.286 54.840 -0.098 0.000 0.749 237 L CB -1.220 40.759 42.059 -0.134 0.000 0.893 237 L HN 0.201 nan 8.230 nan 0.000 0.432 238 T N -1.121 113.390 114.554 -0.072 0.000 2.746 238 T HA -0.138 4.212 4.350 -0.000 0.000 0.267 238 T C 2.038 176.704 174.700 -0.057 0.000 1.039 238 T CA 1.502 63.567 62.100 -0.059 0.000 1.142 238 T CB -0.332 68.497 68.868 -0.065 0.000 0.866 238 T HN 0.205 nan 8.240 nan 0.000 0.444 239 V N 1.802 121.677 119.914 -0.066 0.000 2.287 239 V HA -0.209 3.911 4.120 -0.000 0.000 0.248 239 V C 2.892 178.965 176.094 -0.036 0.000 1.053 239 V CA 1.860 64.103 62.300 -0.095 0.000 1.027 239 V CB -1.217 30.595 31.823 -0.018 0.000 0.646 239 V HN 0.537 nan 8.190 nan 0.000 0.447 240 A N -0.624 122.240 122.820 0.073 0.000 1.902 240 A HA -0.238 4.082 4.320 -0.000 0.000 0.217 240 A C 2.162 179.814 177.584 0.113 0.000 1.181 240 A CA 1.834 53.973 52.037 0.169 0.000 0.623 240 A CB -0.493 18.557 19.000 0.083 0.000 0.818 240 A HN 0.627 nan 8.150 nan 0.000 0.443 241 E N -1.513 118.704 120.200 0.028 0.000 2.058 241 E HA -0.255 4.095 4.350 -0.000 0.000 0.194 241 E C 1.845 178.441 176.600 -0.008 0.000 0.997 241 E CA 1.630 58.033 56.400 0.005 0.000 0.801 241 E CB -0.380 29.310 29.700 -0.016 0.000 0.746 241 E HN 0.792 nan 8.360 nan 0.000 0.450 242 Y N 0.433 120.635 120.300 -0.164 0.000 2.114 242 Y HA -0.298 4.252 4.550 -0.000 0.000 0.282 242 Y C 1.869 177.657 175.900 -0.188 0.000 1.165 242 Y CA 1.837 59.792 58.100 -0.242 0.000 1.148 242 Y CB -0.394 37.808 38.460 -0.430 0.000 0.972 242 Y HN -0.006 nan 8.280 nan 0.000 0.504 243 F N -0.170 119.902 119.950 0.203 0.000 2.234 243 F HA -0.155 4.372 4.527 0.000 0.000 0.299 243 F C 2.757 178.575 175.800 0.031 0.000 1.087 243 F CA 1.359 59.460 58.000 0.168 0.000 1.340 243 F CB -0.350 38.821 39.000 0.284 0.000 1.031 243 F HN -0.034 nan 8.300 nan 0.000 0.500 244 R N 0.478 121.073 120.500 0.158 0.000 2.066 244 R HA -0.133 4.207 4.340 -0.000 0.000 0.232 244 R C 1.351 177.644 176.300 -0.013 0.000 1.131 244 R CA 2.043 58.182 56.100 0.065 0.000 0.955 244 R CB -0.162 30.157 30.300 0.032 0.000 0.851 244 R HN 0.191 nan 8.270 nan 0.000 0.432 245 D N -0.161 120.190 120.400 -0.081 0.000 2.735 245 D HA -0.044 4.596 4.640 -0.000 0.000 0.267 245 D C 1.531 177.715 176.300 -0.193 0.000 1.081 245 D CA 0.429 54.361 54.000 -0.113 0.000 0.980 245 D CB -0.435 40.303 40.800 -0.102 0.000 1.129 245 D HN 0.104 nan 8.370 nan 0.000 0.459 246 Q N 0.723 120.297 119.800 -0.378 0.000 2.594 246 Q HA -0.047 4.293 4.340 -0.000 0.000 0.219 246 Q C 0.172 175.894 176.000 -0.463 0.000 0.980 246 Q CA 0.826 56.303 55.803 -0.543 0.000 0.962 246 Q CB 0.039 28.129 28.738 -1.080 0.000 0.987 246 Q HN 0.547 nan 8.270 nan 0.000 0.553 247 E N -1.922 118.134 120.200 -0.240 0.000 2.665 247 E HA 0.073 4.423 4.350 -0.000 0.000 0.165 247 E C 0.399 176.997 176.600 -0.002 0.000 0.895 247 E CA 0.198 56.564 56.400 -0.056 0.000 1.351 247 E CB 0.609 30.369 29.700 0.100 0.000 1.058 247 E HN 0.334 nan 8.360 nan 0.000 0.514 248 G N 2.234 111.015 108.800 -0.031 0.000 2.393 248 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.304 248 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.304 248 G C 0.376 175.276 174.900 0.000 0.000 0.977 248 G CA 1.112 46.203 45.100 -0.016 0.000 0.803 248 G HN 0.061 nan 8.290 nan 0.000 0.511 249 Q N 0.131 119.951 119.800 0.032 0.000 2.193 249 Q HA 0.387 4.727 4.340 -0.000 0.000 0.246 249 Q C 0.035 176.034 176.000 -0.002 0.000 0.959 249 Q CA -0.910 54.885 55.803 -0.012 0.000 0.904 249 Q CB 0.694 29.382 28.738 -0.084 0.000 1.238 249 Q HN 0.285 nan 8.270 nan 0.000 0.469 250 D N 0.616 120.991 120.400 -0.043 0.000 2.401 250 D HA 0.162 4.802 4.640 -0.000 0.000 0.254 250 D C -0.586 175.780 176.300 0.110 0.000 1.192 250 D CA 0.239 54.257 54.000 0.029 0.000 0.885 250 D CB 0.602 41.429 40.800 0.046 0.000 1.147 250 D HN 0.031 nan 8.370 nan 0.000 0.478 251 V N 3.643 123.611 119.914 0.090 0.000 2.604 251 V HA 0.362 4.482 4.120 -0.000 0.000 0.305 251 V C 0.225 176.268 176.094 -0.085 0.000 1.043 251 V CA -0.881 61.464 62.300 0.075 0.000 0.888 251 V CB 1.966 33.857 31.823 0.112 0.000 0.995 251 V HN 0.318 nan 8.190 nan 0.000 0.429 252 L N 5.166 126.251 121.223 -0.229 0.000 2.282 252 L HA 0.586 4.926 4.340 -0.000 0.000 0.288 252 L C -0.830 175.776 176.870 -0.441 0.000 1.033 252 L CA -0.551 54.014 54.840 -0.458 0.000 0.807 252 L CB 1.538 43.225 42.059 -0.620 0.000 1.209 252 L HN 0.458 nan 8.230 nan 0.000 0.423 253 L N 4.335 125.246 121.223 -0.521 0.000 2.343 253 L HA 0.571 4.910 4.340 -0.000 0.000 0.278 253 L C -1.280 175.273 176.870 -0.527 0.000 0.996 253 L CA 0.103 54.722 54.840 -0.368 0.000 0.831 253 L CB 1.085 43.016 42.059 -0.214 0.000 1.232 253 L HN 0.198 nan 8.230 nan 0.000 0.413 254 F N 5.851 125.699 119.950 -0.169 0.000 2.436 254 F HA 0.630 5.157 4.527 -0.000 0.000 0.340 254 F C 0.080 175.557 175.800 -0.539 0.000 1.113 254 F CA -0.503 57.336 58.000 -0.269 0.000 1.022 254 F CB 1.477 40.398 39.000 -0.131 0.000 1.128 254 F HN 0.248 nan 8.300 nan 0.000 0.466 255 I N 2.787 123.175 120.570 -0.303 0.000 2.447 255 I HA 0.283 4.453 4.170 -0.000 0.000 0.287 255 I C -1.373 174.555 176.117 -0.315 0.000 1.023 255 I CA -0.542 60.521 61.300 -0.395 0.000 1.083 255 I CB 1.960 39.800 38.000 -0.267 0.000 1.245 255 I HN 0.441 nan 8.210 nan 0.000 0.434 256 D N 6.285 126.467 120.400 -0.364 0.000 2.473 256 D HA 0.272 4.912 4.640 -0.000 0.000 0.253 256 D C -1.360 174.923 176.300 -0.029 0.000 1.233 256 D CA -0.201 53.737 54.000 -0.104 0.000 0.908 256 D CB 1.244 42.070 40.800 0.044 0.000 1.170 256 D HN 0.434 nan 8.370 nan 0.000 0.558 257 N N 4.352 123.057 118.700 0.008 0.000 2.352 257 N HA 0.144 4.884 4.740 -0.000 0.000 0.291 257 N C 0.569 176.107 175.510 0.047 0.000 1.040 257 N CA -0.500 52.573 53.050 0.038 0.000 0.864 257 N CB 1.635 40.195 38.487 0.122 0.000 1.440 257 N HN 0.265 nan 8.380 nan 0.000 0.483 258 I N 4.073 124.647 120.570 0.005 0.000 2.567 258 I HA -0.083 4.087 4.170 -0.000 0.000 0.257 258 I C 1.678 177.858 176.117 0.106 0.000 1.184 258 I CA 0.792 62.088 61.300 -0.006 0.000 1.451 258 I CB -0.618 37.318 38.000 -0.106 0.000 1.089 258 I HN 0.631 nan 8.210 nan 0.000 0.441 259 F N 1.524 121.499 119.950 0.043 0.000 2.202 259 F HA -0.202 4.325 4.527 -0.000 0.000 0.301 259 F C 2.234 178.110 175.800 0.126 0.000 1.082 259 F CA 1.393 59.461 58.000 0.113 0.000 1.313 259 F CB -0.368 38.742 39.000 0.182 0.000 1.024 259 F HN -0.027 nan 8.300 nan 0.000 0.495 260 R N 0.030 120.517 120.500 -0.022 0.000 2.241 260 R HA -0.188 4.152 4.340 -0.000 0.000 0.224 260 R C 2.108 178.339 176.300 -0.115 0.000 1.101 260 R CA 1.267 57.285 56.100 -0.136 0.000 0.995 260 R CB -1.589 28.714 30.300 0.004 0.000 0.870 260 R HN 0.525 nan 8.270 nan 0.000 0.463 261 F N 1.441 121.280 119.950 -0.185 0.000 2.128 261 F HA -0.123 4.404 4.527 -0.000 0.000 0.295 261 F C 1.979 177.684 175.800 -0.159 0.000 1.100 261 F CA 1.454 59.368 58.000 -0.143 0.000 1.260 261 F CB -0.338 38.593 39.000 -0.114 0.000 1.009 261 F HN -0.164 nan 8.300 nan 0.000 0.476 262 T N 0.332 114.747 114.554 -0.231 0.000 2.777 262 T HA -0.236 4.114 4.350 -0.000 0.000 0.266 262 T C 1.900 176.412 174.700 -0.312 0.000 1.040 262 T CA 1.658 63.576 62.100 -0.304 0.000 1.141 262 T CB -0.407 68.407 68.868 -0.090 0.000 0.868 262 T HN 0.452 nan 8.240 nan 0.000 0.444 263 Q N 0.576 120.062 119.800 -0.523 0.000 2.084 263 Q HA -0.081 4.258 4.340 -0.000 0.000 0.202 263 Q C 2.497 178.356 176.000 -0.235 0.000 0.978 263 Q CA 1.405 56.962 55.803 -0.409 0.000 0.844 263 Q CB -0.293 28.062 28.738 -0.638 0.000 0.898 263 Q HN 0.526 nan 8.270 nan 0.000 0.426 264 A N 0.512 123.186 122.820 -0.243 0.000 1.908 264 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 264 A C 2.258 179.738 177.584 -0.173 0.000 1.181 264 A CA 1.712 53.646 52.037 -0.171 0.000 0.627 264 A CB -1.329 17.581 19.000 -0.151 0.000 0.818 264 A HN 0.610 nan 8.150 nan 0.000 0.445 265 G N -0.386 108.264 108.800 -0.250 0.000 2.422 265 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.218 265 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.218 265 G C 1.934 176.766 174.900 -0.113 0.000 1.146 265 G CA 1.695 46.668 45.100 -0.212 0.000 0.769 265 G HN 0.886 nan 8.290 nan 0.000 0.547 266 S N 0.368 116.017 115.700 -0.084 0.000 2.453 266 S HA -0.003 4.467 4.470 -0.000 0.000 0.231 266 S C 1.929 176.489 174.600 -0.068 0.000 1.005 266 S CA 1.407 59.579 58.200 -0.047 0.000 0.949 266 S CB -0.222 62.949 63.200 -0.049 0.000 0.774 266 S HN 0.573 nan 8.310 nan 0.000 0.510 267 E N 0.791 120.946 120.200 -0.074 0.000 2.208 267 E HA -0.039 4.311 4.350 -0.000 0.000 0.193 267 E C 1.875 178.447 176.600 -0.046 0.000 0.988 267 E CA 1.353 57.718 56.400 -0.058 0.000 0.828 267 E CB -0.062 29.605 29.700 -0.056 0.000 0.763 267 E HN 0.706 nan 8.360 nan 0.000 0.478 268 V N -2.757 117.128 119.914 -0.049 0.000 3.578 268 V HA 0.171 4.291 4.120 -0.000 0.000 0.290 268 V C 1.964 178.041 176.094 -0.030 0.000 1.376 268 V CA 0.333 62.611 62.300 -0.036 0.000 1.083 268 V CB 0.776 32.578 31.823 -0.036 0.000 0.911 268 V HN 0.016 nan 8.190 nan 0.000 0.433 269 S N 1.744 117.425 115.700 -0.032 0.000 2.359 269 S HA -0.202 4.268 4.470 -0.000 0.000 0.223 269 S C 2.216 176.809 174.600 -0.012 0.000 1.039 269 S CA 2.397 60.586 58.200 -0.020 0.000 1.042 269 S CB -0.450 62.743 63.200 -0.011 0.000 0.915 269 S HN 0.985 nan 8.310 nan 0.000 0.439 270 A N 1.151 123.963 122.820 -0.013 0.000 1.902 270 A HA 0.034 4.354 4.320 -0.000 0.000 0.217 270 A C 2.101 179.681 177.584 -0.006 0.000 1.181 270 A CA 1.416 53.448 52.037 -0.008 0.000 0.623 270 A CB -0.750 18.243 19.000 -0.011 0.000 0.818 270 A HN 0.587 nan 8.150 nan 0.000 0.443 271 L N -0.781 120.437 121.223 -0.008 0.000 2.465 271 L HA -0.014 4.326 4.340 -0.000 0.000 0.224 271 L C 1.694 178.563 176.870 -0.002 0.000 1.145 271 L CA 0.337 55.174 54.840 -0.005 0.000 0.834 271 L CB -0.318 41.737 42.059 -0.007 0.000 0.944 271 L HN 0.334 nan 8.230 nan 0.000 0.451 272 L N -0.403 120.818 121.223 -0.004 0.000 2.592 272 L HA 0.188 4.528 4.340 -0.000 0.000 0.227 272 L C 1.376 178.248 176.870 0.003 0.000 1.127 272 L CA 0.430 55.270 54.840 -0.000 0.000 0.884 272 L CB -0.092 41.964 42.059 -0.005 0.000 1.065 272 L HN 0.430 nan 8.230 nan 0.000 0.457 273 G N 0.433 109.235 108.800 0.003 0.000 2.132 273 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.234 273 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.234 273 G C 0.132 175.035 174.900 0.006 0.000 0.989 273 G CA -0.284 44.819 45.100 0.005 0.000 0.676 273 G HN 0.270 nan 8.290 nan 0.000 0.522 274 R N -0.395 120.108 120.500 0.005 0.000 2.459 274 R HA 0.687 5.027 4.340 -0.000 0.000 0.281 274 R C 0.975 177.281 176.300 0.009 0.000 1.050 274 R CA -0.585 55.520 56.100 0.008 0.000 1.055 274 R CB 0.732 31.038 30.300 0.009 0.000 1.045 274 R HN 0.295 nan 8.270 nan 0.000 0.495 275 I N 4.961 125.538 120.570 0.012 0.000 2.496 275 I HA 0.145 4.315 4.170 -0.000 0.000 0.285 275 I C -1.597 174.532 176.117 0.020 0.000 1.080 275 I CA -1.672 59.636 61.300 0.014 0.000 1.404 275 I CB 0.998 39.008 38.000 0.015 0.000 1.403 275 I HN 0.377 nan 8.210 nan 0.000 0.539 276 P HA 0.112 nan 4.420 nan 0.000 0.275 276 P C -0.483 176.843 177.300 0.043 0.000 1.228 276 P CA -0.280 62.837 63.100 0.029 0.000 0.786 276 P CB 1.401 33.110 31.700 0.016 0.000 0.927 277 S N 1.169 116.910 115.700 0.068 0.000 2.666 277 S HA 0.605 5.075 4.470 -0.000 0.000 0.279 277 S C 0.134 174.793 174.600 0.099 0.000 1.149 277 S CA -0.423 57.826 58.200 0.082 0.000 1.020 277 S CB 0.092 63.352 63.200 0.101 0.000 1.127 277 S HN 0.620 nan 8.310 nan 0.000 0.537 278 A N 0.272 123.160 122.820 0.113 0.000 2.483 278 A HA 0.437 4.757 4.320 -0.000 0.000 0.238 278 A C 0.838 178.526 177.584 0.173 0.000 1.070 278 A CA 0.266 52.374 52.037 0.117 0.000 0.770 278 A CB -0.669 18.397 19.000 0.109 0.000 1.008 278 A HN 1.683 nan 8.150 nan 0.000 0.497 279 V N 0.844 120.827 119.914 0.116 0.000 4.868 279 V HA -0.275 3.845 4.120 -0.000 0.000 0.274 279 V C 1.660 177.715 176.094 -0.065 0.000 0.450 279 V CA 1.448 63.802 62.300 0.090 0.000 0.773 279 V CB -2.606 29.352 31.823 0.226 0.000 0.704 279 V HN 2.907 nan 8.190 nan 0.000 1.326 280 G N -2.210 106.562 108.800 -0.047 0.000 2.175 280 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.265 280 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.265 280 G C -0.121 174.683 174.900 -0.160 0.000 0.979 280 G CA 0.683 45.712 45.100 -0.118 0.000 0.663 280 G HN 0.941 nan 8.290 nan 0.000 0.533 281 Y N 1.237 121.561 120.300 0.040 0.000 2.316 281 Y HA 0.436 4.986 4.550 -0.000 0.000 0.324 281 Y C 1.337 177.246 175.900 0.015 0.000 1.267 281 Y CA -0.390 57.729 58.100 0.031 0.000 1.311 281 Y CB 0.604 39.094 38.460 0.050 0.000 1.267 281 Y HN 0.365 nan 8.280 nan 0.000 0.516 282 Q N 2.627 122.543 119.800 0.193 0.000 2.349 282 Q HA 0.031 4.370 4.340 -0.000 0.000 0.287 282 Q C -2.406 173.653 176.000 0.098 0.000 1.044 282 Q CA -1.420 54.441 55.803 0.098 0.000 0.918 282 Q CB 0.674 29.442 28.738 0.051 0.000 1.242 282 Q HN 0.406 nan 8.270 nan 0.000 0.405 283 P HA -0.074 nan 4.420 nan 0.000 0.221 283 P C 0.859 178.186 177.300 0.044 0.000 1.150 283 P CA 1.505 64.638 63.100 0.054 0.000 0.800 283 P CB -0.014 31.709 31.700 0.039 0.000 0.787 284 T N -3.615 110.961 114.554 0.037 0.000 3.272 284 T HA 0.143 4.493 4.350 -0.000 0.000 0.250 284 T C 1.450 176.173 174.700 0.039 0.000 1.082 284 T CA -0.254 61.866 62.100 0.033 0.000 0.968 284 T CB -1.103 67.778 68.868 0.021 0.000 1.015 284 T HN -0.021 nan 8.240 nan 0.000 0.563 285 L N 0.862 122.108 121.223 0.039 0.000 2.013 285 L HA -0.105 4.235 4.340 -0.000 0.000 0.212 285 L C 2.783 179.687 176.870 0.057 0.000 1.073 285 L CA 2.010 56.865 54.840 0.026 0.000 0.753 285 L CB -0.664 41.380 42.059 -0.025 0.000 0.890 285 L HN 0.422 nan 8.230 nan 0.000 0.432 286 A N -0.931 121.926 122.820 0.062 0.000 1.897 286 A HA -0.173 4.147 4.320 -0.000 0.000 0.215 286 A C 2.321 179.968 177.584 0.106 0.000 1.181 286 A CA 1.897 53.990 52.037 0.093 0.000 0.620 286 A CB -1.040 18.006 19.000 0.075 0.000 0.821 286 A HN 0.625 nan 8.150 nan 0.000 0.443 287 T N -2.445 112.158 114.554 0.083 0.000 2.896 287 T HA -0.098 4.252 4.350 -0.000 0.000 0.263 287 T C 1.343 176.102 174.700 0.097 0.000 1.050 287 T CA 1.333 63.481 62.100 0.080 0.000 1.140 287 T CB -0.412 68.491 68.868 0.057 0.000 0.877 287 T HN 0.286 nan 8.240 nan 0.000 0.457 288 D N 1.070 121.538 120.400 0.114 0.000 2.123 288 D HA -0.064 4.576 4.640 -0.000 0.000 0.196 288 D C 1.959 178.420 176.300 0.268 0.000 0.992 288 D CA 1.127 55.240 54.000 0.189 0.000 0.833 288 D CB -0.410 40.480 40.800 0.150 0.000 0.954 288 D HN 0.406 nan 8.370 nan 0.000 0.455 289 M N 0.189 119.925 119.600 0.225 0.000 2.175 289 M HA -0.068 4.412 4.480 -0.000 0.000 0.264 289 M C 1.999 178.241 176.300 -0.096 0.000 1.063 289 M CA 1.915 57.280 55.300 0.109 0.000 1.119 289 M CB -0.137 32.529 32.600 0.109 0.000 1.377 289 M HN 0.017 nan 8.290 nan 0.000 0.415 290 G N -0.410 108.409 108.800 0.031 0.000 2.418 290 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.217 290 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.217 290 G C 1.453 176.350 174.900 -0.004 0.000 1.158 290 G CA 1.473 46.606 45.100 0.056 0.000 0.771 290 G HN 0.603 nan 8.290 nan 0.000 0.545 291 T N -1.746 112.820 114.554 0.020 0.000 2.915 291 T HA -0.030 4.320 4.350 -0.000 0.000 0.269 291 T C 2.204 176.875 174.700 -0.048 0.000 1.071 291 T CA 1.493 63.601 62.100 0.013 0.000 1.132 291 T CB -0.120 68.781 68.868 0.054 0.000 0.878 291 T HN 0.140 nan 8.240 nan 0.000 0.479 292 M N 0.538 120.061 119.600 -0.128 0.000 2.134 292 M HA 0.022 4.502 4.480 -0.000 0.000 0.262 292 M C 2.282 178.410 176.300 -0.287 0.000 1.076 292 M CA 1.441 56.576 55.300 -0.275 0.000 1.143 292 M CB -0.717 31.523 32.600 -0.600 0.000 1.346 292 M HN 0.177 nan 8.290 nan 0.000 0.421 293 Q N 0.588 120.175 119.800 -0.354 0.000 2.124 293 Q HA -0.149 4.191 4.340 -0.000 0.000 0.202 293 Q C 1.730 177.625 176.000 -0.176 0.000 0.977 293 Q CA 1.246 56.832 55.803 -0.361 0.000 0.850 293 Q CB -0.440 27.846 28.738 -0.754 0.000 0.901 293 Q HN 0.580 nan 8.270 nan 0.000 0.429 294 E N 0.430 120.574 120.200 -0.093 0.000 2.333 294 E HA -0.130 4.220 4.350 -0.000 0.000 0.198 294 E C 1.752 178.331 176.600 -0.034 0.000 1.007 294 E CA 0.517 56.910 56.400 -0.011 0.000 0.845 294 E CB -0.017 29.702 29.700 0.033 0.000 0.766 294 E HN 0.337 nan 8.360 nan 0.000 0.507 295 R N 0.046 120.505 120.500 -0.070 0.000 2.200 295 R HA 0.159 4.499 4.340 -0.000 0.000 0.208 295 R C 0.959 177.213 176.300 -0.076 0.000 1.033 295 R CA 0.153 56.214 56.100 -0.065 0.000 1.000 295 R CB 0.204 30.458 30.300 -0.076 0.000 0.906 295 R HN 0.057 nan 8.270 nan 0.000 0.462 296 I N 1.826 122.335 120.570 -0.102 0.000 2.278 296 I HA 0.042 4.212 4.170 -0.000 0.000 0.300 296 I C -0.063 176.007 176.117 -0.078 0.000 1.174 296 I CA 0.321 61.556 61.300 -0.108 0.000 1.347 296 I CB 0.539 38.449 38.000 -0.150 0.000 1.473 296 I HN -0.049 nan 8.210 nan 0.000 0.595 297 T N 2.768 117.285 114.554 -0.062 0.000 2.893 297 T HA 0.189 4.539 4.350 -0.000 0.000 0.337 297 T C -0.358 174.317 174.700 -0.042 0.000 1.587 297 T CA -0.431 61.642 62.100 -0.047 0.000 1.066 297 T CB 1.449 70.299 68.868 -0.029 0.000 1.414 297 T HN 0.295 nan 8.240 nan 0.000 0.488 298 T N 3.480 118.010 114.554 -0.040 0.000 2.918 298 T HA 0.572 4.922 4.350 -0.000 0.000 0.302 298 T C 0.540 175.217 174.700 -0.038 0.000 1.045 298 T CA 0.171 62.249 62.100 -0.036 0.000 1.114 298 T CB 0.607 69.454 68.868 -0.034 0.000 0.965 298 T HN 0.910 nan 8.240 nan 0.000 0.540 299 T N -0.230 114.302 114.554 -0.038 0.000 2.716 299 T HA 0.477 4.827 4.350 -0.000 0.000 0.286 299 T C 0.924 175.597 174.700 -0.046 0.000 1.052 299 T CA -1.018 61.055 62.100 -0.045 0.000 1.024 299 T CB 1.388 70.232 68.868 -0.040 0.000 1.349 299 T HN 0.359 nan 8.240 nan 0.000 0.525 300 K N 0.020 120.390 120.400 -0.051 0.000 2.283 300 K HA 0.071 4.391 4.320 -0.000 0.000 0.202 300 K C 2.079 178.657 176.600 -0.037 0.000 1.048 300 K CA 0.840 57.099 56.287 -0.046 0.000 0.948 300 K CB -0.054 32.416 32.500 -0.050 0.000 0.742 300 K HN 0.455 nan 8.250 nan 0.000 0.458 301 K N -0.307 120.072 120.400 -0.036 0.000 2.167 301 K HA 0.010 4.330 4.320 -0.000 0.000 0.203 301 K C 0.831 177.414 176.600 -0.029 0.000 1.052 301 K CA 0.714 56.981 56.287 -0.033 0.000 0.956 301 K CB 0.481 32.959 32.500 -0.038 0.000 0.735 301 K HN 0.155 nan 8.250 nan 0.000 0.451 302 G N -0.072 108.713 108.800 -0.025 0.000 2.576 302 G HA2 0.250 4.210 3.960 -0.000 0.000 0.290 302 G HA3 0.250 4.210 3.960 -0.000 0.000 0.290 302 G C -1.611 173.280 174.900 -0.014 0.000 1.442 302 G CA -0.673 44.418 45.100 -0.015 0.000 0.792 302 G HN -0.000 nan 8.290 nan 0.000 0.491 303 S N -0.523 115.172 115.700 -0.008 0.000 2.509 303 S HA 0.795 5.265 4.470 -0.000 0.000 0.297 303 S C -0.388 174.204 174.600 -0.012 0.000 1.118 303 S CA -0.684 57.508 58.200 -0.013 0.000 1.074 303 S CB 1.069 64.263 63.200 -0.010 0.000 1.038 303 S HN 0.575 nan 8.310 nan 0.000 0.498 304 I N 2.942 123.492 120.570 -0.034 0.000 2.406 304 I HA 0.271 4.441 4.170 -0.000 0.000 0.290 304 I C -0.292 175.768 176.117 -0.096 0.000 0.999 304 I CA -0.564 60.700 61.300 -0.060 0.000 1.124 304 I CB 2.288 40.249 38.000 -0.065 0.000 1.289 304 I HN 0.616 nan 8.210 nan 0.000 0.441 305 T N 4.523 118.993 114.554 -0.140 0.000 2.762 305 T HA 0.282 4.632 4.350 -0.000 0.000 0.303 305 T C 0.082 174.614 174.700 -0.281 0.000 0.977 305 T CA -0.540 61.453 62.100 -0.177 0.000 0.961 305 T CB 0.454 69.217 68.868 -0.174 0.000 0.944 305 T HN 0.677 nan 8.240 nan 0.000 0.481 306 S N 2.265 117.818 115.700 -0.245 0.000 2.472 306 S HA 0.738 5.208 4.470 -0.000 0.000 0.303 306 S C -0.497 173.927 174.600 -0.293 0.000 1.099 306 S CA -0.810 57.215 58.200 -0.292 0.000 1.077 306 S CB 1.420 64.490 63.200 -0.217 0.000 1.031 306 S HN 0.362 nan 8.310 nan 0.000 0.487 307 V N 3.247 122.972 119.914 -0.314 0.000 2.409 307 V HA 0.449 4.569 4.120 -0.000 0.000 0.290 307 V C -0.629 175.384 176.094 -0.134 0.000 1.017 307 V CA -0.508 61.674 62.300 -0.197 0.000 0.841 307 V CB 1.086 32.892 31.823 -0.028 0.000 1.003 307 V HN 0.963 nan 8.190 nan 0.000 0.426 308 Q N 3.022 122.723 119.800 -0.165 0.000 2.331 308 Q HA 0.750 5.090 4.340 -0.000 0.000 0.267 308 Q C -0.209 175.690 176.000 -0.167 0.000 1.006 308 Q CA -0.573 55.128 55.803 -0.170 0.000 0.818 308 Q CB 2.684 31.297 28.738 -0.208 0.000 1.276 308 Q HN 0.877 nan 8.270 nan 0.000 0.450 309 A N 3.563 126.318 122.820 -0.109 0.000 2.401 309 A HA 0.540 4.860 4.320 -0.000 0.000 0.259 309 A C -0.371 177.142 177.584 -0.118 0.000 1.103 309 A CA -0.155 51.834 52.037 -0.080 0.000 0.789 309 A CB 0.097 19.102 19.000 0.008 0.000 1.035 309 A HN 0.756 nan 8.150 nan 0.000 0.491 310 I N 2.801 123.255 120.570 -0.193 0.000 2.476 310 I HA 0.150 4.320 4.170 -0.000 0.000 0.281 310 I C -0.741 175.325 176.117 -0.085 0.000 1.040 310 I CA -0.453 60.716 61.300 -0.218 0.000 1.094 310 I CB 1.142 38.708 38.000 -0.724 0.000 1.219 310 I HN 0.752 nan 8.210 nan 0.000 0.450 311 Y N 6.967 127.214 120.300 -0.088 0.000 2.578 311 Y HA 0.297 4.847 4.550 -0.000 0.000 0.339 311 Y C -0.261 175.442 175.900 -0.329 0.000 1.231 311 Y CA 0.167 58.139 58.100 -0.213 0.000 1.461 311 Y CB 0.838 39.110 38.460 -0.314 0.000 1.323 311 Y HN 0.259 nan 8.280 nan 0.000 0.590 312 V N 8.439 127.796 119.914 -0.929 0.000 2.325 312 V HA 0.289 4.408 4.120 -0.000 0.000 0.280 312 V C -2.353 173.216 176.094 -0.874 0.000 1.016 312 V CA -2.087 59.842 62.300 -0.618 0.000 0.818 312 V CB 1.010 32.669 31.823 -0.273 0.000 1.019 312 V HN 0.702 nan 8.190 nan 0.000 0.434 313 P HA 0.185 nan 4.420 nan 0.000 0.267 313 P C 0.635 177.857 177.300 -0.130 0.000 1.205 313 P CA 0.622 63.582 63.100 -0.234 0.000 0.765 313 P CB 0.773 32.517 31.700 0.072 0.000 0.828 314 A N 3.650 126.429 122.820 -0.069 0.000 2.799 314 A HA -0.256 4.064 4.320 -0.000 0.000 0.287 314 A C 0.854 178.404 177.584 -0.057 0.000 1.484 314 A CA 1.170 53.191 52.037 -0.028 0.000 0.813 314 A CB -2.653 16.357 19.000 0.015 0.000 1.009 314 A HN 0.616 nan 8.150 nan 0.000 0.545 315 D N -1.645 118.683 120.400 -0.120 0.000 2.955 315 D HA -0.180 4.460 4.640 -0.000 0.000 0.226 315 D C -0.210 176.056 176.300 -0.056 0.000 1.178 315 D CA 2.146 56.090 54.000 -0.094 0.000 0.808 315 D CB -0.926 39.843 40.800 -0.052 0.000 1.099 315 D HN 0.945 nan 8.370 nan 0.000 0.421 316 D N 0.075 120.446 120.400 -0.048 0.000 2.412 316 D HA 0.244 4.884 4.640 -0.000 0.000 0.224 316 D C 1.309 177.617 176.300 0.013 0.000 1.093 316 D CA -0.446 53.549 54.000 -0.008 0.000 0.850 316 D CB 0.406 41.214 40.800 0.013 0.000 1.046 316 D HN 0.084 nan 8.370 nan 0.000 0.507 317 L N 2.600 123.837 121.223 0.024 0.000 2.456 317 L HA -0.065 4.275 4.340 -0.000 0.000 0.224 317 L C 2.219 179.143 176.870 0.091 0.000 1.148 317 L CA 1.179 56.064 54.840 0.074 0.000 0.825 317 L CB -0.301 41.796 42.059 0.063 0.000 0.937 317 L HN 0.498 nan 8.230 nan 0.000 0.450 318 T N -4.574 110.010 114.554 0.050 0.000 3.113 318 T HA -0.080 4.270 4.350 -0.000 0.000 0.256 318 T C 0.806 175.556 174.700 0.082 0.000 1.131 318 T CA -0.340 61.791 62.100 0.052 0.000 1.074 318 T CB -0.332 68.550 68.868 0.024 0.000 0.944 318 T HN 0.215 nan 8.240 nan 0.000 0.516 319 D N 2.587 123.047 120.400 0.099 0.000 2.506 319 D HA 0.010 4.650 4.640 -0.000 0.000 0.234 319 D C -1.488 174.882 176.300 0.116 0.000 1.143 319 D CA -1.314 52.773 54.000 0.144 0.000 0.871 319 D CB 1.424 42.321 40.800 0.161 0.000 1.190 319 D HN 0.029 nan 8.370 nan 0.000 0.459 320 P HA -0.169 nan 4.420 nan 0.000 0.216 320 P C 0.840 178.051 177.300 -0.149 0.000 1.150 320 P CA 1.871 64.930 63.100 -0.068 0.000 0.843 320 P CB 0.120 31.728 31.700 -0.153 0.000 0.787 321 A N 0.223 122.913 122.820 -0.217 0.000 1.845 321 A HA -0.114 4.206 4.320 -0.000 0.000 0.215 321 A C 0.014 177.682 177.584 0.140 0.000 1.195 321 A CA 2.163 54.184 52.037 -0.028 0.000 0.616 321 A CB -2.240 16.892 19.000 0.219 0.000 0.832 321 A HN 0.224 nan 8.150 nan 0.000 0.443 322 P HA -0.056 nan 4.420 nan 0.000 0.217 322 P C 1.564 179.051 177.300 0.311 0.000 1.151 322 P CA 1.822 65.083 63.100 0.268 0.000 0.828 322 P CB -0.164 31.708 31.700 0.287 0.000 0.788 323 A N 0.118 123.105 122.820 0.278 0.000 1.933 323 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 323 A C 2.220 179.979 177.584 0.292 0.000 1.175 323 A CA 2.279 54.510 52.037 0.324 0.000 0.628 323 A CB -1.880 17.216 19.000 0.160 0.000 0.814 323 A HN 0.214 nan 8.150 nan 0.000 0.444 324 T N -0.479 114.191 114.554 0.194 0.000 3.023 324 T HA -0.038 4.312 4.350 -0.000 0.000 0.266 324 T C 1.768 176.617 174.700 0.248 0.000 1.093 324 T CA 1.552 63.757 62.100 0.174 0.000 1.129 324 T CB -0.253 68.685 68.868 0.116 0.000 0.899 324 T HN 0.559 nan 8.240 nan 0.000 0.491 325 T N 1.585 116.292 114.554 0.255 0.000 2.985 325 T HA 0.086 4.436 4.350 -0.000 0.000 0.266 325 T C 1.484 176.351 174.700 0.279 0.000 1.076 325 T CA 0.521 62.777 62.100 0.260 0.000 1.135 325 T CB -0.452 68.474 68.868 0.096 0.000 0.890 325 T HN 0.324 nan 8.240 nan 0.000 0.480 326 F N 2.105 122.230 119.950 0.292 0.000 2.120 326 F HA -0.112 4.415 4.527 -0.000 0.000 0.300 326 F C 2.654 178.503 175.800 0.082 0.000 1.095 326 F CA 1.043 59.162 58.000 0.198 0.000 1.249 326 F CB -0.499 38.505 39.000 0.006 0.000 0.995 326 F HN 0.149 nan 8.300 nan 0.000 0.480 327 A N -1.503 121.405 122.820 0.146 0.000 2.172 327 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 327 A C 1.496 178.960 177.584 -0.201 0.000 1.154 327 A CA 1.103 53.104 52.037 -0.061 0.000 0.701 327 A CB -0.910 17.991 19.000 -0.165 0.000 0.789 327 A HN 0.461 nan 8.150 nan 0.000 0.465 328 H N -1.111 118.012 119.070 0.088 0.000 2.539 328 H HA 0.344 4.900 4.556 -0.000 0.000 0.269 328 H C -0.066 175.279 175.328 0.029 0.000 0.980 328 H CA 0.242 56.314 56.048 0.039 0.000 1.152 328 H CB 0.029 29.792 29.762 0.003 0.000 1.407 328 H HN 0.356 nan 8.280 nan 0.000 0.564 329 L N -0.152 121.153 121.223 0.135 0.000 2.303 329 L HA 0.239 4.579 4.340 -0.000 0.000 0.266 329 L C 0.806 177.727 176.870 0.086 0.000 1.011 329 L CA -0.604 54.295 54.840 0.100 0.000 0.818 329 L CB 1.737 43.873 42.059 0.129 0.000 1.326 329 L HN -0.150 nan 8.230 nan 0.000 0.435 330 D N 0.124 120.560 120.400 0.060 0.000 2.422 330 D HA 0.265 4.905 4.640 -0.000 0.000 0.218 330 D C 0.050 176.402 176.300 0.086 0.000 1.047 330 D CA 0.483 54.519 54.000 0.060 0.000 0.885 330 D CB 1.195 42.016 40.800 0.035 0.000 1.035 330 D HN 0.485 nan 8.370 nan 0.000 0.502 331 A N 0.479 123.354 122.820 0.092 0.000 2.515 331 A HA 0.630 4.950 4.320 -0.000 0.000 0.298 331 A C -0.498 177.190 177.584 0.173 0.000 1.059 331 A CA -0.538 51.589 52.037 0.150 0.000 0.698 331 A CB 1.680 20.812 19.000 0.219 0.000 1.289 331 A HN -0.018 nan 8.150 nan 0.000 0.404 332 T N -1.136 113.563 114.554 0.242 0.000 2.893 332 T HA 0.732 5.082 4.350 -0.000 0.000 0.293 332 T C -0.622 174.266 174.700 0.314 0.000 1.027 332 T CA -0.529 61.758 62.100 0.312 0.000 0.988 332 T CB 1.599 70.703 68.868 0.394 0.000 1.043 332 T HN 0.530 nan 8.240 nan 0.000 0.461 333 T N 2.656 117.411 114.554 0.335 0.000 2.842 333 T HA 0.516 4.866 4.350 -0.000 0.000 0.308 333 T C -0.242 174.639 174.700 0.303 0.000 1.041 333 T CA -0.551 61.729 62.100 0.300 0.000 0.964 333 T CB 0.840 69.904 68.868 0.327 0.000 0.972 333 T HN 0.653 nan 8.240 nan 0.000 0.460 334 V N 5.611 125.670 119.914 0.242 0.000 2.370 334 V HA 0.434 4.554 4.120 -0.000 0.000 0.279 334 V C 0.113 176.298 176.094 0.153 0.000 1.029 334 V CA -0.785 61.646 62.300 0.218 0.000 0.870 334 V CB 1.029 32.939 31.823 0.144 0.000 0.984 334 V HN 0.736 nan 8.190 nan 0.000 0.451 335 L N 3.674 124.987 121.223 0.151 0.000 2.360 335 L HA 0.705 5.045 4.340 -0.000 0.000 0.271 335 L C 0.223 177.133 176.870 0.066 0.000 1.057 335 L CA -0.127 54.777 54.840 0.106 0.000 0.803 335 L CB 1.912 44.044 42.059 0.120 0.000 1.207 335 L HN 0.692 nan 8.230 nan 0.000 0.445 336 S N 1.059 116.779 115.700 0.033 0.000 2.614 336 S HA 0.318 4.788 4.470 -0.000 0.000 0.288 336 S C 0.518 175.109 174.600 -0.015 0.000 1.137 336 S CA -0.756 57.449 58.200 0.007 0.000 0.992 336 S CB 1.852 65.052 63.200 0.000 0.000 1.026 336 S HN 0.721 nan 8.310 nan 0.000 0.486 337 R N 3.146 123.638 120.500 -0.013 0.000 2.096 337 R HA -0.075 4.265 4.340 -0.000 0.000 0.235 337 R C 2.090 178.367 176.300 -0.038 0.000 1.127 337 R CA 1.834 57.922 56.100 -0.019 0.000 0.968 337 R CB -0.633 29.661 30.300 -0.009 0.000 0.861 337 R HN 0.791 nan 8.270 nan 0.000 0.440 338 A N 0.619 123.419 122.820 -0.034 0.000 1.972 338 A HA -0.133 4.187 4.320 -0.000 0.000 0.219 338 A C 2.037 179.588 177.584 -0.054 0.000 1.169 338 A CA 1.241 53.255 52.037 -0.038 0.000 0.635 338 A CB -0.322 18.659 19.000 -0.031 0.000 0.810 338 A HN 0.352 nan 8.150 nan 0.000 0.446 339 I N -0.893 119.638 120.570 -0.065 0.000 2.339 339 I HA -0.127 4.043 4.170 -0.000 0.000 0.245 339 I C 2.956 178.961 176.117 -0.185 0.000 1.096 339 I CA 0.747 61.993 61.300 -0.090 0.000 1.408 339 I CB -0.362 37.601 38.000 -0.062 0.000 1.092 339 I HN 0.315 nan 8.210 nan 0.000 0.423 340 A N 0.631 123.308 122.820 -0.237 0.000 1.903 340 A HA -0.330 3.990 4.320 -0.000 0.000 0.219 340 A C 2.259 179.657 177.584 -0.310 0.000 1.191 340 A CA 2.328 54.100 52.037 -0.442 0.000 0.638 340 A CB -0.851 18.016 19.000 -0.221 0.000 0.823 340 A HN 0.527 nan 8.150 nan 0.000 0.451 341 E N -0.229 119.888 120.200 -0.138 0.000 2.219 341 E HA -0.176 4.174 4.350 -0.000 0.000 0.198 341 E C 1.528 178.087 176.600 -0.070 0.000 0.998 341 E CA 1.172 57.531 56.400 -0.068 0.000 0.818 341 E CB -0.228 29.446 29.700 -0.043 0.000 0.741 341 E HN 0.691 nan 8.360 nan 0.000 0.477 342 L N -1.009 120.153 121.223 -0.101 0.000 2.599 342 L HA 0.205 4.545 4.340 -0.000 0.000 0.230 342 L C 1.547 178.367 176.870 -0.083 0.000 1.141 342 L CA 0.402 55.194 54.840 -0.080 0.000 0.877 342 L CB 0.106 42.125 42.059 -0.067 0.000 1.009 342 L HN 0.383 nan 8.230 nan 0.000 0.447 343 G N 0.443 109.175 108.800 -0.115 0.000 2.157 343 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.248 343 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.248 343 G C 0.217 175.143 174.900 0.045 0.000 0.979 343 G CA -0.496 44.605 45.100 0.002 0.000 0.650 343 G HN 0.153 nan 8.290 nan 0.000 0.529 344 I N 1.358 121.854 120.570 -0.123 0.000 2.347 344 I HA 0.387 4.557 4.170 -0.000 0.000 0.294 344 I C 0.004 175.965 176.117 -0.260 0.000 1.090 344 I CA -0.375 60.905 61.300 -0.032 0.000 1.314 344 I CB -0.626 37.365 38.000 -0.015 0.000 1.423 344 I HN 0.121 nan 8.210 nan 0.000 0.503 345 Y N 7.389 127.670 120.300 -0.031 0.000 2.425 345 Y HA 0.394 4.944 4.550 -0.000 0.000 0.344 345 Y C -2.000 173.729 175.900 -0.285 0.000 0.969 345 Y CA -2.454 55.556 58.100 -0.150 0.000 1.052 345 Y CB 2.129 40.480 38.460 -0.180 0.000 1.215 345 Y HN 0.415 nan 8.280 nan 0.000 0.451 346 P HA 0.045 nan 4.420 nan 0.000 0.271 346 P C -0.414 176.913 177.300 0.044 0.000 1.216 346 P CA -0.123 62.972 63.100 -0.009 0.000 0.776 346 P CB 1.065 32.803 31.700 0.064 0.000 0.881 347 A N 3.592 126.450 122.820 0.063 0.000 2.810 347 A HA 0.204 4.524 4.320 -0.000 0.000 0.247 347 A C 0.482 178.082 177.584 0.027 0.000 1.576 347 A CA -0.294 51.724 52.037 -0.031 0.000 1.294 347 A CB -1.204 17.741 19.000 -0.090 0.000 0.976 347 A HN 0.378 nan 8.150 nan 0.000 0.631 348 V N 1.289 121.234 119.914 0.053 0.000 2.508 348 V HA 0.044 4.164 4.120 -0.000 0.000 0.281 348 V C 0.367 176.488 176.094 0.045 0.000 1.041 348 V CA -0.488 61.855 62.300 0.071 0.000 1.016 348 V CB 1.041 32.918 31.823 0.091 0.000 0.984 348 V HN 0.587 nan 8.190 nan 0.000 0.478 349 D N 8.117 128.545 120.400 0.047 0.000 2.338 349 D HA 0.171 4.811 4.640 -0.000 0.000 0.255 349 D C -1.390 174.925 176.300 0.025 0.000 1.237 349 D CA -2.008 52.009 54.000 0.028 0.000 0.883 349 D CB 1.819 42.633 40.800 0.023 0.000 1.087 349 D HN 0.278 nan 8.370 nan 0.000 0.485 350 P HA 0.000 nan 4.420 nan 0.000 0.237 350 P C 0.844 178.138 177.300 -0.011 0.000 1.178 350 P CA 0.464 63.562 63.100 -0.004 0.000 0.766 350 P CB 0.304 31.994 31.700 -0.016 0.000 0.876 351 L N -0.695 120.523 121.223 -0.008 0.000 2.965 351 L HA 0.332 4.672 4.340 -0.000 0.000 0.254 351 L C 0.623 177.479 176.870 -0.024 0.000 1.220 351 L CA 0.279 55.108 54.840 -0.018 0.000 1.023 351 L CB 0.047 42.094 42.059 -0.019 0.000 1.355 351 L HN -0.159 nan 8.230 nan 0.000 0.545 352 D N -0.631 119.763 120.400 -0.010 0.000 2.755 352 D HA 0.090 4.730 4.640 -0.000 0.000 0.293 352 D C -0.464 175.849 176.300 0.021 0.000 1.642 352 D CA 0.176 54.164 54.000 -0.020 0.000 0.825 352 D CB 0.777 41.561 40.800 -0.028 0.000 1.303 352 D HN -0.102 nan 8.370 nan 0.000 0.434 353 S N 0.038 115.764 115.700 0.043 0.000 2.519 353 S HA 0.709 5.179 4.470 -0.000 0.000 0.309 353 S C -0.237 174.411 174.600 0.079 0.000 1.100 353 S CA -0.649 57.607 58.200 0.094 0.000 1.059 353 S CB 1.823 65.088 63.200 0.110 0.000 1.008 353 S HN 0.268 nan 8.310 nan 0.000 0.478 354 T N -0.754 113.866 114.554 0.111 0.000 2.906 354 T HA 0.844 5.194 4.350 -0.000 0.000 0.295 354 T C -0.703 174.071 174.700 0.123 0.000 1.075 354 T CA -0.851 61.303 62.100 0.091 0.000 1.005 354 T CB 1.937 70.844 68.868 0.066 0.000 1.136 354 T HN 0.440 nan 8.240 nan 0.000 0.498 355 S N -0.409 115.349 115.700 0.097 0.000 2.543 355 S HA 0.407 4.877 4.470 -0.000 0.000 0.271 355 S C 0.716 175.363 174.600 0.078 0.000 1.148 355 S CA -0.803 57.462 58.200 0.108 0.000 0.914 355 S CB 1.946 65.213 63.200 0.112 0.000 1.096 355 S HN 0.876 nan 8.310 nan 0.000 0.471 356 R N 2.320 122.865 120.500 0.074 0.000 2.152 356 R HA -0.010 4.329 4.340 -0.000 0.000 0.232 356 R C 1.589 177.913 176.300 0.040 0.000 1.117 356 R CA 2.091 58.222 56.100 0.053 0.000 0.981 356 R CB -0.410 29.919 30.300 0.048 0.000 0.870 356 R HN 0.822 nan 8.270 nan 0.000 0.451 357 I N -1.943 118.653 120.570 0.043 0.000 3.812 357 I HA 0.171 4.341 4.170 -0.000 0.000 0.320 357 I C 0.364 176.483 176.117 0.004 0.000 1.276 357 I CA -0.280 61.033 61.300 0.021 0.000 1.164 357 I CB 0.149 38.165 38.000 0.026 0.000 1.009 357 I HN -0.046 nan 8.210 nan 0.000 0.431 358 M N 3.307 122.922 119.600 0.026 0.000 3.011 358 M HA 0.316 4.796 4.480 -0.000 0.000 0.292 358 M C -0.937 175.440 176.300 0.128 0.000 1.440 358 M CA 0.132 55.460 55.300 0.046 0.000 1.552 358 M CB -0.893 31.739 32.600 0.054 0.000 1.187 358 M HN 0.265 nan 8.290 nan 0.000 0.520 359 D N 4.858 125.281 120.400 0.039 0.000 2.990 359 D HA 0.366 5.006 4.640 -0.000 0.000 0.227 359 D C -2.489 173.675 176.300 -0.226 0.000 1.249 359 D CA -1.480 52.438 54.000 -0.137 0.000 0.891 359 D CB 2.351 43.095 40.800 -0.093 0.000 1.647 359 D HN 0.155 nan 8.370 nan 0.000 0.530 360 P HA -0.119 nan 4.420 nan 0.000 0.217 360 P C 0.516 177.730 177.300 -0.143 0.000 1.148 360 P CA 1.216 64.129 63.100 -0.312 0.000 0.828 360 P CB 0.232 31.666 31.700 -0.443 0.000 0.783 361 N N -1.176 117.437 118.700 -0.144 0.000 2.494 361 N HA 0.048 4.788 4.740 -0.000 0.000 0.182 361 N C 1.665 177.146 175.510 -0.049 0.000 1.076 361 N CA 0.361 53.363 53.050 -0.079 0.000 0.908 361 N CB -0.171 38.272 38.487 -0.074 0.000 0.967 361 N HN 0.220 nan 8.380 nan 0.000 0.449 362 I N -0.714 119.825 120.570 -0.052 0.000 3.136 362 I HA -0.032 4.138 4.170 -0.000 0.000 0.262 362 I C 1.640 177.752 176.117 -0.010 0.000 1.132 362 I CA 0.417 61.702 61.300 -0.025 0.000 1.450 362 I CB 0.121 38.106 38.000 -0.025 0.000 1.315 362 I HN 0.006 nan 8.210 nan 0.000 0.460 363 V N -0.995 118.903 119.914 -0.028 0.000 3.649 363 V HA 0.549 4.669 4.120 -0.000 0.000 0.275 363 V C 0.781 176.917 176.094 0.070 0.000 1.281 363 V CA 0.142 62.441 62.300 -0.002 0.000 1.143 363 V CB -0.983 30.718 31.823 -0.204 0.000 0.892 363 V HN 0.513 nan 8.190 nan 0.000 0.441 364 G N 0.964 109.791 108.800 0.045 0.000 2.690 364 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.686 364 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.686 364 G C 0.406 175.369 174.900 0.106 0.000 1.277 364 G CA 0.259 45.401 45.100 0.070 0.000 0.799 364 G HN 1.284 nan 8.290 nan 0.000 0.613 365 S N -0.495 115.260 115.700 0.091 0.000 2.406 365 S HA -0.044 4.426 4.470 -0.000 0.000 0.228 365 S C 1.774 176.479 174.600 0.176 0.000 1.020 365 S CA 1.762 60.041 58.200 0.131 0.000 0.965 365 S CB -0.017 63.232 63.200 0.081 0.000 0.798 365 S HN 0.949 nan 8.310 nan 0.000 0.488 366 E N 1.052 121.340 120.200 0.147 0.000 2.028 366 E HA -0.264 4.086 4.350 -0.000 0.000 0.191 366 E C 2.064 178.780 176.600 0.194 0.000 0.988 366 E CA 1.208 57.693 56.400 0.142 0.000 0.799 366 E CB -0.465 29.300 29.700 0.108 0.000 0.755 366 E HN 0.853 nan 8.360 nan 0.000 0.447 367 H N -1.390 117.737 119.070 0.095 0.000 2.319 367 H HA -0.240 4.316 4.556 -0.000 0.000 0.297 367 H C 2.161 177.540 175.328 0.085 0.000 1.097 367 H CA 1.782 57.881 56.048 0.084 0.000 1.285 367 H CB -0.163 29.650 29.762 0.084 0.000 1.368 367 H HN 0.299 nan 8.280 nan 0.000 0.495 368 Y N 1.633 122.006 120.300 0.121 0.000 2.128 368 Y HA -0.245 4.305 4.550 -0.000 0.000 0.284 368 Y C 2.005 177.937 175.900 0.053 0.000 1.154 368 Y CA 2.000 60.113 58.100 0.022 0.000 1.149 368 Y CB -0.285 38.165 38.460 -0.016 0.000 0.976 368 Y HN 0.344 nan 8.280 nan 0.000 0.505 369 D N -0.630 119.839 120.400 0.116 0.000 2.144 369 D HA -0.156 4.484 4.640 -0.000 0.000 0.200 369 D C 2.416 178.701 176.300 -0.025 0.000 0.978 369 D CA 1.565 55.579 54.000 0.023 0.000 0.833 369 D CB -0.481 40.376 40.800 0.096 0.000 0.961 369 D HN 0.332 nan 8.370 nan 0.000 0.470 370 V N 1.676 121.609 119.914 0.032 0.000 2.295 370 V HA -0.227 3.893 4.120 -0.000 0.000 0.246 370 V C 2.603 178.682 176.094 -0.026 0.000 1.049 370 V CA 1.828 64.149 62.300 0.035 0.000 1.024 370 V CB -0.879 30.995 31.823 0.085 0.000 0.648 370 V HN 0.177 nan 8.190 nan 0.000 0.447 371 A N -0.085 122.709 122.820 -0.043 0.000 1.902 371 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 371 A C 2.309 179.786 177.584 -0.177 0.000 1.181 371 A CA 1.510 53.482 52.037 -0.109 0.000 0.623 371 A CB -0.432 18.527 19.000 -0.069 0.000 0.818 371 A HN 0.405 nan 8.150 nan 0.000 0.443 372 R N -0.627 119.709 120.500 -0.272 0.000 2.148 372 R HA -0.052 4.288 4.340 -0.000 0.000 0.223 372 R C 2.211 178.434 176.300 -0.127 0.000 1.088 372 R CA 1.108 57.058 56.100 -0.251 0.000 0.985 372 R CB -1.174 28.908 30.300 -0.363 0.000 0.880 372 R HN 0.536 nan 8.270 nan 0.000 0.451 373 G N 0.024 108.770 108.800 -0.090 0.000 2.430 373 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.216 373 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.216 373 G C 1.511 176.397 174.900 -0.025 0.000 1.146 373 G CA 0.164 45.242 45.100 -0.037 0.000 0.793 373 G HN 0.111 nan 8.290 nan 0.000 0.537 374 V N 0.549 120.438 119.914 -0.041 0.000 2.343 374 V HA -0.238 3.882 4.120 -0.000 0.000 0.247 374 V C 2.893 178.959 176.094 -0.046 0.000 1.051 374 V CA 2.161 64.434 62.300 -0.044 0.000 1.036 374 V CB -0.509 31.231 31.823 -0.139 0.000 0.654 374 V HN 0.400 nan 8.190 nan 0.000 0.451 375 Q N -0.298 119.461 119.800 -0.068 0.000 2.084 375 Q HA -0.253 4.087 4.340 -0.000 0.000 0.202 375 Q C 2.368 178.352 176.000 -0.026 0.000 0.978 375 Q CA 1.901 57.674 55.803 -0.050 0.000 0.844 375 Q CB -0.234 28.463 28.738 -0.068 0.000 0.898 375 Q HN 0.588 nan 8.270 nan 0.000 0.426 376 K N 0.919 121.302 120.400 -0.028 0.000 2.026 376 K HA -0.162 4.158 4.320 -0.000 0.000 0.208 376 K C 1.963 178.570 176.600 0.010 0.000 1.048 376 K CA 1.166 57.447 56.287 -0.011 0.000 0.929 376 K CB -0.165 32.327 32.500 -0.014 0.000 0.713 376 K HN 0.195 nan 8.250 nan 0.000 0.439 377 I N 0.917 121.495 120.570 0.014 0.000 2.394 377 I HA -0.233 3.937 4.170 -0.000 0.000 0.251 377 I C 1.806 177.964 176.117 0.068 0.000 1.136 377 I CA 0.864 62.183 61.300 0.032 0.000 1.425 377 I CB 0.139 38.149 38.000 0.018 0.000 1.079 377 I HN 0.248 nan 8.210 nan 0.000 0.425 378 L N -0.027 121.233 121.223 0.061 0.000 2.156 378 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 378 L C 2.498 179.422 176.870 0.090 0.000 1.095 378 L CA 0.947 55.848 54.840 0.102 0.000 0.770 378 L CB -0.482 41.616 42.059 0.065 0.000 0.914 378 L HN 0.300 nan 8.230 nan 0.000 0.439 379 Q N 0.254 120.080 119.800 0.043 0.000 2.083 379 Q HA -0.182 4.158 4.340 -0.000 0.000 0.198 379 Q C 1.701 177.716 176.000 0.024 0.000 0.969 379 Q CA 1.592 57.406 55.803 0.017 0.000 0.838 379 Q CB -0.018 28.719 28.738 -0.001 0.000 0.900 379 Q HN 0.342 nan 8.270 nan 0.000 0.436 380 D N -0.751 119.676 120.400 0.044 0.000 2.144 380 D HA -0.169 4.471 4.640 -0.000 0.000 0.199 380 D C 1.522 177.879 176.300 0.094 0.000 0.984 380 D CA 1.058 55.089 54.000 0.051 0.000 0.834 380 D CB -0.336 40.494 40.800 0.051 0.000 0.955 380 D HN 0.351 nan 8.370 nan 0.000 0.465 381 Y N 1.896 122.189 120.300 -0.011 0.000 2.200 381 Y HA -0.119 4.431 4.550 0.000 0.000 0.290 381 Y C 2.130 178.023 175.900 -0.011 0.000 1.137 381 Y CA 1.338 59.432 58.100 -0.010 0.000 1.163 381 Y CB -0.161 38.294 38.460 -0.009 0.000 0.988 381 Y HN -0.199 nan 8.280 nan 0.000 0.518 382 K N -0.405 119.898 120.400 -0.162 0.000 2.057 382 K HA -0.137 4.183 4.320 -0.000 0.000 0.207 382 K C 2.041 178.535 176.600 -0.177 0.000 1.049 382 K CA 1.622 57.761 56.287 -0.248 0.000 0.931 382 K CB -0.193 32.236 32.500 -0.119 0.000 0.714 382 K HN 0.305 nan 8.250 nan 0.000 0.440 383 S N 0.874 116.518 115.700 -0.093 0.000 2.474 383 S HA -0.010 4.460 4.470 -0.000 0.000 0.235 383 S C 1.601 176.163 174.600 -0.064 0.000 0.997 383 S CA 0.631 58.792 58.200 -0.065 0.000 0.949 383 S CB 0.047 63.228 63.200 -0.031 0.000 0.766 383 S HN 0.277 nan 8.310 nan 0.000 0.517 384 L N 0.556 121.736 121.223 -0.072 0.000 2.513 384 L HA 0.133 4.473 4.340 -0.000 0.000 0.222 384 L C 2.319 179.142 176.870 -0.077 0.000 1.096 384 L CA 0.251 55.066 54.840 -0.041 0.000 0.857 384 L CB -0.250 41.825 42.059 0.027 0.000 1.026 384 L HN 0.232 nan 8.230 nan 0.000 0.469 385 Q N 0.005 119.693 119.800 -0.186 0.000 2.173 385 Q HA -0.276 4.064 4.340 -0.000 0.000 0.208 385 Q C 1.093 177.033 176.000 -0.101 0.000 0.989 385 Q CA 1.707 57.386 55.803 -0.205 0.000 0.872 385 Q CB -0.056 28.468 28.738 -0.356 0.000 0.909 385 Q HN 0.291 nan 8.270 nan 0.000 0.420 386 D N -0.593 119.756 120.400 -0.085 0.000 2.325 386 D HA 0.067 4.707 4.640 -0.000 0.000 0.225 386 D C 0.878 177.158 176.300 -0.034 0.000 1.096 386 D CA 0.099 54.066 54.000 -0.054 0.000 0.844 386 D CB 0.194 40.961 40.800 -0.054 0.000 0.925 386 D HN 0.252 nan 8.370 nan 0.000 0.513 387 I N -0.785 119.769 120.570 -0.027 0.000 4.244 387 I HA 0.090 4.260 4.170 -0.000 0.000 0.318 387 I C 1.835 177.951 176.117 -0.003 0.000 1.282 387 I CA -0.007 61.285 61.300 -0.013 0.000 1.276 387 I CB 0.590 38.584 38.000 -0.009 0.000 1.183 387 I HN -0.133 nan 8.210 nan 0.000 0.431 388 I N 1.293 121.864 120.570 0.001 0.000 2.179 388 I HA -0.252 3.918 4.170 -0.000 0.000 0.242 388 I C 2.629 178.752 176.117 0.010 0.000 1.088 388 I CA 1.566 62.876 61.300 0.017 0.000 1.357 388 I CB -0.350 37.673 38.000 0.037 0.000 1.051 388 I HN 0.205 nan 8.210 nan 0.000 0.409 389 A N 0.223 123.043 122.820 -0.000 0.000 2.070 389 A HA -0.095 4.225 4.320 -0.000 0.000 0.220 389 A C 2.171 179.753 177.584 -0.003 0.000 1.159 389 A CA 1.461 53.496 52.037 -0.003 0.000 0.656 389 A CB -0.481 18.510 19.000 -0.014 0.000 0.800 389 A HN 0.472 nan 8.150 nan 0.000 0.453 390 I N -1.918 118.649 120.570 -0.005 0.000 3.718 390 I HA 0.082 4.252 4.170 -0.000 0.000 0.297 390 I C 1.468 177.584 176.117 -0.001 0.000 1.220 390 I CA 0.395 61.693 61.300 -0.004 0.000 1.381 390 I CB 0.205 38.201 38.000 -0.008 0.000 1.238 390 I HN 0.141 nan 8.210 nan 0.000 0.448 391 L N 0.691 121.915 121.223 0.001 0.000 2.640 391 L HA 0.415 4.755 4.340 -0.000 0.000 0.230 391 L C 0.724 177.597 176.870 0.006 0.000 1.123 391 L CA -0.050 54.792 54.840 0.003 0.000 0.900 391 L CB -0.265 41.795 42.059 0.003 0.000 1.146 391 L HN 0.328 nan 8.230 nan 0.000 0.484 392 G N -0.135 108.670 108.800 0.008 0.000 2.716 392 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.686 392 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.686 392 G C 0.374 175.283 174.900 0.016 0.000 1.337 392 G CA -0.400 44.707 45.100 0.012 0.000 0.829 392 G HN -0.116 nan 8.290 nan 0.000 0.599 393 M N 0.562 120.174 119.600 0.020 0.000 2.159 393 M HA -0.074 4.406 4.480 -0.000 0.000 0.263 393 M C 2.099 178.409 176.300 0.017 0.000 1.063 393 M CA 2.265 57.579 55.300 0.023 0.000 1.110 393 M CB -1.003 31.612 32.600 0.025 0.000 1.374 393 M HN 0.690 nan 8.290 nan 0.000 0.411 394 D N 0.446 120.854 120.400 0.013 0.000 2.190 394 D HA -0.162 4.478 4.640 -0.000 0.000 0.200 394 D C 1.716 178.022 176.300 0.010 0.000 0.992 394 D CA 0.998 55.004 54.000 0.011 0.000 0.854 394 D CB -0.312 40.493 40.800 0.009 0.000 0.936 394 D HN 0.306 nan 8.370 nan 0.000 0.462 395 E N 0.042 120.248 120.200 0.010 0.000 2.516 395 E HA 0.050 4.400 4.350 -0.000 0.000 0.199 395 E C 0.712 177.318 176.600 0.010 0.000 1.069 395 E CA -0.022 56.384 56.400 0.009 0.000 0.876 395 E CB 0.025 29.729 29.700 0.007 0.000 0.843 395 E HN 0.386 nan 8.360 nan 0.000 0.530 396 L N 0.719 121.950 121.223 0.014 0.000 2.375 396 L HA 0.134 4.474 4.340 -0.000 0.000 0.271 396 L C 0.925 177.803 176.870 0.013 0.000 1.107 396 L CA -0.376 54.474 54.840 0.016 0.000 0.806 396 L CB 1.097 43.170 42.059 0.023 0.000 1.146 396 L HN -0.171 nan 8.230 nan 0.000 0.447 397 S N 0.759 116.466 115.700 0.012 0.000 2.587 397 S HA -0.015 4.455 4.470 -0.000 0.000 0.260 397 S C 1.050 175.656 174.600 0.010 0.000 1.353 397 S CA -0.626 57.580 58.200 0.010 0.000 0.995 397 S CB 0.667 63.873 63.200 0.009 0.000 0.912 397 S HN 0.563 nan 8.310 nan 0.000 0.568 398 E N 1.258 121.462 120.200 0.007 0.000 2.106 398 E HA -0.108 4.242 4.350 -0.000 0.000 0.192 398 E C 1.853 178.457 176.600 0.006 0.000 0.984 398 E CA 0.819 57.223 56.400 0.006 0.000 0.806 398 E CB -0.165 29.538 29.700 0.004 0.000 0.750 398 E HN 0.511 nan 8.360 nan 0.000 0.458 399 E N 1.127 121.330 120.200 0.006 0.000 2.077 399 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 399 E C 1.657 178.262 176.600 0.009 0.000 0.989 399 E CA 0.901 57.304 56.400 0.006 0.000 0.800 399 E CB -0.229 29.475 29.700 0.006 0.000 0.746 399 E HN 0.230 nan 8.360 nan 0.000 0.452 400 D N 0.575 120.984 120.400 0.015 0.000 2.178 400 D HA -0.100 4.540 4.640 -0.000 0.000 0.201 400 D C 1.771 178.086 176.300 0.024 0.000 0.980 400 D CA 0.899 54.914 54.000 0.025 0.000 0.842 400 D CB -0.070 40.746 40.800 0.028 0.000 0.948 400 D HN 0.145 nan 8.370 nan 0.000 0.472 401 K N -0.162 120.247 120.400 0.014 0.000 2.148 401 K HA -0.001 4.319 4.320 -0.000 0.000 0.204 401 K C 2.095 178.688 176.600 -0.011 0.000 1.050 401 K CA 0.483 56.774 56.287 0.007 0.000 0.942 401 K CB 0.077 32.580 32.500 0.006 0.000 0.724 401 K HN 0.163 nan 8.250 nan 0.000 0.446 402 L N 0.272 121.489 121.223 -0.010 0.000 2.131 402 L HA -0.123 4.217 4.340 -0.000 0.000 0.206 402 L C 2.234 179.082 176.870 -0.037 0.000 1.087 402 L CA 1.024 55.850 54.840 -0.023 0.000 0.767 402 L CB -0.488 41.562 42.059 -0.015 0.000 0.917 402 L HN 0.202 nan 8.230 nan 0.000 0.441 403 T N -0.174 114.369 114.554 -0.018 0.000 2.665 403 T HA -0.209 4.141 4.350 -0.000 0.000 0.268 403 T C 1.965 176.622 174.700 -0.072 0.000 1.035 403 T CA 1.629 63.720 62.100 -0.014 0.000 1.151 403 T CB -0.243 68.644 68.868 0.033 0.000 0.862 403 T HN 0.043 nan 8.240 nan 0.000 0.438 404 V N 1.965 121.840 119.914 -0.065 0.000 2.220 404 V HA -0.206 3.914 4.120 -0.000 0.000 0.246 404 V C 2.840 178.761 176.094 -0.288 0.000 1.049 404 V CA 2.263 64.448 62.300 -0.191 0.000 1.003 404 V CB -1.073 30.729 31.823 -0.036 0.000 0.634 404 V HN 0.698 nan 8.190 nan 0.000 0.444 405 S N 0.429 116.034 115.700 -0.158 0.000 2.368 405 S HA -0.240 4.230 4.470 -0.000 0.000 0.225 405 S C 2.056 176.547 174.600 -0.183 0.000 1.030 405 S CA 1.575 59.687 58.200 -0.147 0.000 0.999 405 S CB -0.518 62.636 63.200 -0.077 0.000 0.844 405 S HN 0.569 nan 8.310 nan 0.000 0.459 406 R N 1.350 121.753 120.500 -0.161 0.000 2.073 406 R HA 0.184 4.524 4.340 -0.000 0.000 0.229 406 R C 2.820 179.008 176.300 -0.187 0.000 1.120 406 R CA 1.126 57.127 56.100 -0.166 0.000 0.967 406 R CB -0.756 29.481 30.300 -0.105 0.000 0.862 406 R HN 0.567 nan 8.270 nan 0.000 0.436 407 A N 1.366 124.056 122.820 -0.218 0.000 1.902 407 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 407 A C 2.065 179.491 177.584 -0.264 0.000 1.181 407 A CA 1.245 53.151 52.037 -0.218 0.000 0.623 407 A CB -0.352 18.494 19.000 -0.257 0.000 0.818 407 A HN 0.209 nan 8.150 nan 0.000 0.443 408 R N -0.375 119.886 120.500 -0.398 0.000 2.115 408 R HA -0.083 4.257 4.340 -0.000 0.000 0.230 408 R C 2.104 178.319 176.300 -0.141 0.000 1.111 408 R CA 1.541 57.476 56.100 -0.274 0.000 0.976 408 R CB -0.210 29.917 30.300 -0.288 0.000 0.870 408 R HN 0.518 nan 8.270 nan 0.000 0.445 409 K N 0.326 120.599 120.400 -0.211 0.000 2.103 409 K HA -0.051 4.269 4.320 -0.000 0.000 0.204 409 K C 1.968 178.429 176.600 -0.233 0.000 1.052 409 K CA 1.041 57.130 56.287 -0.329 0.000 0.945 409 K CB -0.025 32.041 32.500 -0.723 0.000 0.722 409 K HN 0.094 nan 8.250 nan 0.000 0.443 410 I N 1.387 121.889 120.570 -0.114 0.000 2.315 410 I HA -0.278 3.892 4.170 -0.000 0.000 0.248 410 I C 2.433 178.696 176.117 0.243 0.000 1.117 410 I CA 1.229 62.615 61.300 0.143 0.000 1.404 410 I CB -0.074 38.033 38.000 0.179 0.000 1.071 410 I HN 0.202 nan 8.210 nan 0.000 0.419 411 Q N 0.227 120.100 119.800 0.122 0.000 2.096 411 Q HA -0.244 4.096 4.340 -0.000 0.000 0.204 411 Q C 2.341 178.447 176.000 0.177 0.000 0.982 411 Q CA 1.674 57.557 55.803 0.133 0.000 0.850 411 Q CB -0.078 28.715 28.738 0.092 0.000 0.901 411 Q HN 0.451 nan 8.270 nan 0.000 0.422 412 R N -0.939 119.676 120.500 0.191 0.000 2.119 412 R HA -0.068 4.272 4.340 -0.000 0.000 0.222 412 R C 1.860 178.354 176.300 0.324 0.000 1.088 412 R CA 0.696 56.969 56.100 0.289 0.000 0.984 412 R CB -0.105 30.385 30.300 0.316 0.000 0.884 412 R HN 0.167 nan 8.270 nan 0.000 0.447 413 F N 1.004 121.043 119.950 0.148 0.000 2.407 413 F HA 0.027 4.553 4.527 -0.000 0.000 0.299 413 F C 1.476 177.412 175.800 0.227 0.000 1.097 413 F CA 0.868 58.927 58.000 0.099 0.000 1.422 413 F CB 0.077 38.971 39.000 -0.176 0.000 1.067 413 F HN -0.095 nan 8.300 nan 0.000 0.539 414 L N -0.396 121.015 121.223 0.313 0.000 2.478 414 L HA -0.031 4.309 4.340 -0.000 0.000 0.223 414 L C 1.443 178.344 176.870 0.053 0.000 1.140 414 L CA 0.344 55.311 54.840 0.213 0.000 0.842 414 L CB -0.849 41.308 42.059 0.164 0.000 0.953 414 L HN 0.094 nan 8.230 nan 0.000 0.452 415 S N -0.290 115.429 115.700 0.032 0.000 2.600 415 S HA 0.350 4.820 4.470 -0.000 0.000 0.265 415 S C -0.305 174.209 174.600 -0.143 0.000 1.325 415 S CA -0.492 57.678 58.200 -0.049 0.000 1.002 415 S CB 1.790 64.968 63.200 -0.037 0.000 0.921 415 S HN 0.281 nan 8.310 nan 0.000 0.554 416 Q N 0.335 120.018 119.800 -0.195 0.000 2.378 416 Q HA 0.353 4.693 4.340 -0.000 0.000 0.262 416 Q C -3.165 172.703 176.000 -0.219 0.000 0.978 416 Q CA -1.820 53.881 55.803 -0.170 0.000 0.918 416 Q CB 2.076 30.801 28.738 -0.021 0.000 1.415 416 Q HN 0.514 nan 8.270 nan 0.000 0.409 417 P HA 0.121 nan 4.420 nan 0.000 0.271 417 P C -1.075 176.308 177.300 0.138 0.000 1.233 417 P CA 0.607 63.660 63.100 -0.078 0.000 0.764 417 P CB -0.034 31.631 31.700 -0.058 0.000 0.825 418 F N 1.199 121.153 119.950 0.006 0.000 2.399 418 F HA 0.244 4.771 4.527 -0.000 0.000 0.328 418 F C 2.254 178.063 175.800 0.014 0.000 1.084 418 F CA -0.832 57.177 58.000 0.015 0.000 1.053 418 F CB 1.656 40.677 39.000 0.034 0.000 1.209 418 F HN 0.327 nan 8.300 nan 0.000 0.502 419 Q N 1.281 121.194 119.800 0.188 0.000 2.084 419 Q HA -0.155 4.185 4.340 -0.000 0.000 0.202 419 Q C 1.719 177.765 176.000 0.076 0.000 0.978 419 Q CA 1.993 57.849 55.803 0.087 0.000 0.844 419 Q CB -0.027 28.730 28.738 0.031 0.000 0.898 419 Q HN 0.679 nan 8.270 nan 0.000 0.426 420 V N -2.550 117.426 119.914 0.103 0.000 3.510 420 V HA 0.246 4.366 4.120 -0.000 0.000 0.270 420 V C 1.275 177.440 176.094 0.117 0.000 1.201 420 V CA 1.082 63.431 62.300 0.081 0.000 1.166 420 V CB -0.220 31.652 31.823 0.082 0.000 0.825 420 V HN 0.333 nan 8.190 nan 0.000 0.484 421 A N -0.401 122.525 122.820 0.176 0.000 2.503 421 A HA 0.364 4.684 4.320 -0.000 0.000 0.263 421 A C 1.680 179.294 177.584 0.050 0.000 1.258 421 A CA 0.173 52.334 52.037 0.208 0.000 0.936 421 A CB -0.207 18.943 19.000 0.251 0.000 1.070 421 A HN 0.538 nan 8.150 nan 0.000 0.522 422 E N 0.169 120.356 120.200 -0.022 0.000 2.153 422 E HA -0.155 4.195 4.350 -0.000 0.000 0.194 422 E C 1.849 178.361 176.600 -0.147 0.000 0.988 422 E CA 1.520 57.894 56.400 -0.043 0.000 0.811 422 E CB -0.300 29.379 29.700 -0.034 0.000 0.746 422 E HN 0.628 nan 8.360 nan 0.000 0.466 423 V N -1.516 118.188 119.914 -0.349 0.000 3.026 423 V HA -0.167 3.953 4.120 -0.000 0.000 0.265 423 V C 1.553 177.375 176.094 -0.452 0.000 1.121 423 V CA 1.412 63.427 62.300 -0.475 0.000 1.142 423 V CB -0.827 30.585 31.823 -0.685 0.000 0.730 423 V HN 0.160 nan 8.190 nan 0.000 0.503 424 F N 1.277 121.212 119.950 -0.025 0.000 2.653 424 F HA 0.139 4.666 4.527 -0.000 0.000 0.288 424 F C 2.490 178.280 175.800 -0.016 0.000 1.121 424 F CA 0.687 58.662 58.000 -0.043 0.000 1.384 424 F CB -0.102 38.829 39.000 -0.114 0.000 1.115 424 F HN 0.227 nan 8.300 nan 0.000 0.599 425 T N -3.641 111.012 114.554 0.164 0.000 3.023 425 T HA 0.372 4.722 4.350 -0.000 0.000 0.249 425 T C 1.840 176.641 174.700 0.170 0.000 1.050 425 T CA 0.664 62.888 62.100 0.206 0.000 1.088 425 T CB 0.282 69.290 68.868 0.233 0.000 0.946 425 T HN 0.362 nan 8.240 nan 0.000 0.480 426 G N 1.209 110.036 108.800 0.044 0.000 2.148 426 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.254 426 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.254 426 G C -0.187 174.593 174.900 -0.199 0.000 0.981 426 G CA 0.323 45.371 45.100 -0.087 0.000 0.670 426 G HN 0.811 nan 8.290 nan 0.000 0.528 427 H N -1.502 117.563 119.070 -0.008 0.000 2.621 427 H HA 0.668 5.224 4.556 -0.000 0.000 0.360 427 H C 0.244 175.566 175.328 -0.011 0.000 1.163 427 H CA -0.902 55.138 56.048 -0.013 0.000 1.194 427 H CB 1.627 31.373 29.762 -0.027 0.000 1.649 427 H HN 0.216 nan 8.280 nan 0.000 0.532 428 L N 1.511 122.804 121.223 0.117 0.000 2.456 428 L HA 0.267 4.607 4.340 -0.000 0.000 0.272 428 L C 0.926 177.842 176.870 0.076 0.000 1.189 428 L CA 0.421 55.300 54.840 0.066 0.000 0.846 428 L CB 0.408 42.493 42.059 0.044 0.000 1.111 428 L HN 0.847 nan 8.230 nan 0.000 0.475 429 G N 3.494 112.333 108.800 0.065 0.000 2.527 429 G HA2 0.337 4.297 3.960 -0.000 0.000 0.248 429 G HA3 0.337 4.297 3.960 -0.000 0.000 0.248 429 G C -0.759 174.178 174.900 0.062 0.000 1.231 429 G CA -0.527 44.623 45.100 0.083 0.000 0.838 429 G HN 0.485 nan 8.290 nan 0.000 0.570 430 K N 0.311 120.756 120.400 0.074 0.000 2.426 430 K HA 0.509 4.829 4.320 -0.000 0.000 0.251 430 K C -1.530 175.099 176.600 0.048 0.000 0.941 430 K CA -0.976 55.339 56.287 0.047 0.000 0.808 430 K CB 2.644 35.160 32.500 0.026 0.000 1.265 430 K HN 0.312 nan 8.250 nan 0.000 0.432 431 L N 2.106 123.343 121.223 0.023 0.000 2.381 431 L HA 0.482 4.822 4.340 -0.000 0.000 0.274 431 L C -1.458 175.419 176.870 0.010 0.000 0.988 431 L CA -0.885 53.961 54.840 0.009 0.000 0.824 431 L CB 1.670 43.728 42.059 -0.002 0.000 1.263 431 L HN 0.310 nan 8.230 nan 0.000 0.410 432 V N 6.868 126.787 119.914 0.008 0.000 2.409 432 V HA 0.503 4.623 4.120 -0.000 0.000 0.291 432 V C -2.077 174.025 176.094 0.014 0.000 1.020 432 V CA -1.558 60.750 62.300 0.013 0.000 0.848 432 V CB 1.670 33.495 31.823 0.005 0.000 0.990 432 V HN 0.697 nan 8.190 nan 0.000 0.430 433 P HA 0.067 nan 4.420 nan 0.000 0.267 433 P C 0.804 178.114 177.300 0.017 0.000 1.200 433 P CA -0.268 62.843 63.100 0.018 0.000 0.772 433 P CB 0.769 32.483 31.700 0.022 0.000 0.855 434 L N 3.607 124.834 121.223 0.006 0.000 2.043 434 L HA -0.227 4.113 4.340 -0.000 0.000 0.212 434 L C 1.923 178.780 176.870 -0.021 0.000 1.075 434 L CA 2.093 56.922 54.840 -0.019 0.000 0.752 434 L CB -0.874 41.177 42.059 -0.013 0.000 0.891 434 L HN 0.275 nan 8.230 nan 0.000 0.432 435 K N -0.859 119.545 120.400 0.006 0.000 2.097 435 K HA -0.123 4.197 4.320 -0.000 0.000 0.205 435 K C 1.969 178.596 176.600 0.044 0.000 1.050 435 K CA 1.274 57.572 56.287 0.019 0.000 0.938 435 K CB -0.113 32.403 32.500 0.028 0.000 0.718 435 K HN 0.301 nan 8.250 nan 0.000 0.442 436 E N 0.261 120.493 120.200 0.054 0.000 2.106 436 E HA -0.117 4.233 4.350 -0.000 0.000 0.192 436 E C 2.068 178.748 176.600 0.133 0.000 0.984 436 E CA 1.236 57.688 56.400 0.085 0.000 0.806 436 E CB -0.517 29.229 29.700 0.076 0.000 0.750 436 E HN 0.244 nan 8.360 nan 0.000 0.458 437 T N 1.856 116.484 114.554 0.123 0.000 2.652 437 T HA -0.110 4.240 4.350 -0.000 0.000 0.267 437 T C 2.153 177.029 174.700 0.293 0.000 1.039 437 T CA 1.163 63.394 62.100 0.218 0.000 1.153 437 T CB -0.295 68.649 68.868 0.127 0.000 0.863 437 T HN 0.098 nan 8.240 nan 0.000 0.428 438 I N 0.789 121.431 120.570 0.121 0.000 2.163 438 I HA -0.212 3.958 4.170 -0.000 0.000 0.243 438 I C 2.637 178.854 176.117 0.167 0.000 1.085 438 I CA 1.438 62.798 61.300 0.100 0.000 1.347 438 I CB -0.325 37.663 38.000 -0.020 0.000 1.044 438 I HN 0.186 nan 8.210 nan 0.000 0.408 439 K N 1.023 121.502 120.400 0.130 0.000 2.026 439 K HA -0.164 4.156 4.320 -0.000 0.000 0.208 439 K C 2.179 178.858 176.600 0.133 0.000 1.048 439 K CA 1.677 58.034 56.287 0.116 0.000 0.929 439 K CB -0.487 32.068 32.500 0.091 0.000 0.713 439 K HN 0.379 nan 8.250 nan 0.000 0.439 440 G N 0.429 109.322 108.800 0.154 0.000 2.476 440 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.218 440 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.218 440 G C 1.302 176.175 174.900 -0.045 0.000 1.164 440 G CA 1.001 46.126 45.100 0.042 0.000 0.768 440 G HN 0.298 nan 8.290 nan 0.000 0.560 441 F N 0.497 120.571 119.950 0.206 0.000 2.186 441 F HA 0.005 4.532 4.527 -0.000 0.000 0.299 441 F C 2.923 178.764 175.800 0.069 0.000 1.090 441 F CA 1.526 59.612 58.000 0.143 0.000 1.307 441 F CB -0.204 38.882 39.000 0.143 0.000 1.019 441 F HN 0.175 nan 8.300 nan 0.000 0.489 442 Q N 0.394 120.327 119.800 0.221 0.000 2.084 442 Q HA -0.260 4.080 4.340 -0.000 0.000 0.202 442 Q C 2.077 178.114 176.000 0.062 0.000 0.978 442 Q CA 1.745 57.621 55.803 0.121 0.000 0.844 442 Q CB -0.141 28.658 28.738 0.102 0.000 0.898 442 Q HN 0.493 nan 8.270 nan 0.000 0.426 443 Q N -0.089 119.743 119.800 0.053 0.000 2.124 443 Q HA -0.132 4.208 4.340 -0.000 0.000 0.202 443 Q C 2.072 178.051 176.000 -0.035 0.000 0.977 443 Q CA 1.388 57.180 55.803 -0.018 0.000 0.850 443 Q CB -0.011 28.745 28.738 0.030 0.000 0.901 443 Q HN 0.494 nan 8.270 nan 0.000 0.429 444 I N 0.245 120.832 120.570 0.027 0.000 2.286 444 I HA -0.258 3.912 4.170 -0.000 0.000 0.245 444 I C 2.069 178.167 176.117 -0.031 0.000 1.104 444 I CA 0.919 62.208 61.300 -0.018 0.000 1.397 444 I CB -0.209 37.694 38.000 -0.162 0.000 1.072 444 I HN 0.172 nan 8.210 nan 0.000 0.417 445 L N 0.725 121.956 121.223 0.013 0.000 2.083 445 L HA -0.175 4.165 4.340 -0.000 0.000 0.209 445 L C 2.704 179.569 176.870 -0.009 0.000 1.083 445 L CA 1.240 56.088 54.840 0.013 0.000 0.752 445 L CB -0.563 41.523 42.059 0.045 0.000 0.899 445 L HN 0.254 nan 8.230 nan 0.000 0.433 446 A N -0.811 121.998 122.820 -0.019 0.000 2.168 446 A HA 0.165 4.485 4.320 -0.000 0.000 0.215 446 A C 1.810 179.363 177.584 -0.051 0.000 1.152 446 A CA 1.060 53.077 52.037 -0.033 0.000 0.716 446 A CB -0.376 18.600 19.000 -0.040 0.000 0.794 446 A HN 0.553 nan 8.150 nan 0.000 0.465 447 G N -0.999 107.763 108.800 -0.063 0.000 2.179 447 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.220 447 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.220 447 G C 0.479 175.330 174.900 -0.082 0.000 0.990 447 G CA 0.437 45.505 45.100 -0.052 0.000 0.646 447 G HN 0.541 nan 8.290 nan 0.000 0.517 448 E N -0.819 119.257 120.200 -0.207 0.000 2.396 448 E HA -0.069 4.281 4.350 -0.000 0.000 0.200 448 E C 0.751 177.106 176.600 -0.408 0.000 1.023 448 E CA 1.048 57.214 56.400 -0.390 0.000 0.857 448 E CB -0.122 29.144 29.700 -0.723 0.000 0.775 448 E HN 0.813 nan 8.360 nan 0.000 0.525 449 Y N -0.967 119.371 120.300 0.063 0.000 2.742 449 Y HA 0.122 4.672 4.550 -0.000 0.000 0.248 449 Y C 0.668 176.533 175.900 -0.058 0.000 1.132 449 Y CA -0.689 57.390 58.100 -0.034 0.000 1.142 449 Y CB 0.733 39.237 38.460 0.073 0.000 1.222 449 Y HN -0.119 nan 8.280 nan 0.000 0.575 450 D N 0.177 120.665 120.400 0.147 0.000 2.263 450 D HA -0.172 4.468 4.640 -0.000 0.000 0.208 450 D C 1.980 178.360 176.300 0.134 0.000 0.971 450 D CA 1.470 55.530 54.000 0.100 0.000 0.867 450 D CB -0.061 40.788 40.800 0.081 0.000 0.929 450 D HN 0.619 nan 8.370 nan 0.000 0.492 451 H N -0.542 118.583 119.070 0.093 0.000 2.512 451 H HA 0.103 4.659 4.556 -0.000 0.000 0.279 451 H C 0.809 176.196 175.328 0.099 0.000 0.999 451 H CA -0.015 56.080 56.048 0.078 0.000 1.283 451 H CB -0.406 29.392 29.762 0.061 0.000 1.421 451 H HN 0.083 nan 8.280 nan 0.000 0.554 452 L N 3.336 124.408 121.223 -0.252 0.000 2.395 452 L HA 0.300 4.640 4.340 -0.000 0.000 0.269 452 L C -2.041 174.859 176.870 0.049 0.000 1.133 452 L CA -2.153 52.615 54.840 -0.120 0.000 0.812 452 L CB 0.548 42.494 42.059 -0.188 0.000 1.125 452 L HN -0.000 nan 8.230 nan 0.000 0.452 453 P HA 0.051 nan 4.420 nan 0.000 0.269 453 P C 0.186 177.568 177.300 0.136 0.000 1.209 453 P CA -0.182 62.952 63.100 0.057 0.000 0.776 453 P CB 0.961 32.674 31.700 0.022 0.000 0.876 454 E N 0.856 121.129 120.200 0.121 0.000 2.065 454 E HA -0.253 4.097 4.350 -0.000 0.000 0.201 454 E C 1.799 178.520 176.600 0.201 0.000 1.016 454 E CA 1.377 57.875 56.400 0.163 0.000 0.818 454 E CB -0.124 29.611 29.700 0.058 0.000 0.749 454 E HN 0.445 nan 8.360 nan 0.000 0.453 455 Q N -0.589 119.272 119.800 0.102 0.000 2.443 455 Q HA -0.121 4.219 4.340 -0.000 0.000 0.213 455 Q C 1.795 177.856 176.000 0.102 0.000 0.982 455 Q CA 0.983 56.848 55.803 0.103 0.000 0.894 455 Q CB -0.122 28.650 28.738 0.057 0.000 0.947 455 Q HN 0.286 nan 8.270 nan 0.000 0.480 456 A N -0.744 122.083 122.820 0.011 0.000 2.014 456 A HA -0.071 4.249 4.320 -0.000 0.000 0.218 456 A C 1.365 178.773 177.584 -0.294 0.000 1.163 456 A CA 0.628 52.535 52.037 -0.217 0.000 0.652 456 A CB -0.415 18.303 19.000 -0.471 0.000 0.808 456 A HN 0.279 nan 8.150 nan 0.000 0.449 457 F N -2.270 117.684 119.950 0.005 0.000 2.797 457 F HA 0.193 4.720 4.527 -0.000 0.000 0.302 457 F C 0.649 176.556 175.800 0.178 0.000 1.130 457 F CA -0.329 57.712 58.000 0.068 0.000 1.387 457 F CB -0.288 38.721 39.000 0.015 0.000 1.107 457 F HN 0.291 nan 8.300 nan 0.000 0.577 458 Y N 1.511 121.899 120.300 0.146 0.000 2.335 458 Y HA 0.328 4.878 4.550 -0.000 0.000 0.331 458 Y C 0.601 176.495 175.900 -0.009 0.000 1.094 458 Y CA -1.694 56.452 58.100 0.077 0.000 1.253 458 Y CB 0.313 38.806 38.460 0.054 0.000 1.203 458 Y HN 0.056 nan 8.280 nan 0.000 0.508 459 M N 6.033 125.200 119.600 -0.722 0.000 2.350 459 M HA -0.161 4.319 4.480 -0.000 0.000 0.190 459 M C -1.112 174.945 176.300 -0.404 0.000 0.710 459 M CA 1.030 55.884 55.300 -0.743 0.000 0.495 459 M CB -2.797 29.106 32.600 -1.161 0.000 1.136 459 M HN 0.460 nan 8.290 nan 0.000 0.901 460 V N -3.037 116.755 119.914 -0.203 0.000 3.156 460 V HA 1.099 5.219 4.120 -0.000 0.000 0.311 460 V C 0.700 176.739 176.094 -0.093 0.000 1.208 460 V CA -0.140 62.098 62.300 -0.103 0.000 1.063 460 V CB 1.541 33.357 31.823 -0.011 0.000 1.098 460 V HN 0.420 nan 8.190 nan 0.000 0.452 461 G N -0.184 108.594 108.800 -0.037 0.000 2.992 461 G HA2 0.477 4.437 3.960 -0.000 0.000 0.195 461 G HA3 0.477 4.437 3.960 -0.000 0.000 0.195 461 G C -2.263 172.648 174.900 0.018 0.000 2.032 461 G CA -0.306 44.771 45.100 -0.038 0.000 0.831 461 G HN 0.770 nan 8.290 nan 0.000 0.647 462 P HA 0.121 nan 4.420 nan 0.000 0.272 462 P C 0.621 178.065 177.300 0.241 0.000 1.240 462 P CA -0.465 62.733 63.100 0.163 0.000 0.791 462 P CB 1.379 33.128 31.700 0.082 0.000 0.978 463 I N 1.189 121.887 120.570 0.214 0.000 2.361 463 I HA -0.221 3.949 4.170 -0.000 0.000 0.251 463 I C 1.854 177.856 176.117 -0.193 0.000 1.133 463 I CA 1.663 62.885 61.300 -0.130 0.000 1.413 463 I CB -0.917 36.953 38.000 -0.217 0.000 1.073 463 I HN 0.268 nan 8.210 nan 0.000 0.424 464 E N 0.471 120.628 120.200 -0.072 0.000 2.160 464 E HA -0.230 4.120 4.350 -0.000 0.000 0.195 464 E C 2.071 178.606 176.600 -0.109 0.000 0.991 464 E CA 1.325 57.677 56.400 -0.079 0.000 0.810 464 E CB -0.234 29.453 29.700 -0.021 0.000 0.742 464 E HN 0.575 nan 8.360 nan 0.000 0.466 465 E N -0.218 119.935 120.200 -0.078 0.000 2.208 465 E HA -0.087 4.263 4.350 -0.000 0.000 0.193 465 E C 1.925 178.427 176.600 -0.163 0.000 0.988 465 E CA 0.757 57.109 56.400 -0.080 0.000 0.828 465 E CB -0.037 29.648 29.700 -0.026 0.000 0.763 465 E HN 0.288 nan 8.360 nan 0.000 0.478 466 A N 0.804 123.455 122.820 -0.281 0.000 1.930 466 A HA -0.078 4.242 4.320 -0.000 0.000 0.215 466 A C 2.437 179.685 177.584 -0.559 0.000 1.176 466 A CA 0.660 52.378 52.037 -0.532 0.000 0.632 466 A CB -0.401 18.001 19.000 -0.997 0.000 0.819 466 A HN 0.089 nan 8.150 nan 0.000 0.445 467 V N 0.015 119.635 119.914 -0.489 0.000 2.407 467 V HA -0.255 3.865 4.120 -0.000 0.000 0.248 467 V C 2.999 178.972 176.094 -0.203 0.000 1.055 467 V CA 1.945 64.040 62.300 -0.343 0.000 1.049 467 V CB -1.101 30.593 31.823 -0.215 0.000 0.662 467 V HN 0.597 nan 8.190 nan 0.000 0.455 468 A N -0.483 122.240 122.820 -0.162 0.000 1.968 468 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 468 A C 2.323 179.846 177.584 -0.103 0.000 1.169 468 A CA 1.852 53.828 52.037 -0.101 0.000 0.638 468 A CB -0.391 18.567 19.000 -0.070 0.000 0.812 468 A HN 0.513 nan 8.150 nan 0.000 0.446 469 K N -0.220 120.096 120.400 -0.140 0.000 2.097 469 K HA -0.010 4.310 4.320 -0.000 0.000 0.205 469 K C 2.106 178.636 176.600 -0.115 0.000 1.050 469 K CA 1.015 57.236 56.287 -0.110 0.000 0.938 469 K CB -0.285 32.145 32.500 -0.117 0.000 0.718 469 K HN 0.358 nan 8.250 nan 0.000 0.442 470 A N 1.605 124.318 122.820 -0.179 0.000 1.908 470 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 470 A C 1.565 179.103 177.584 -0.076 0.000 1.181 470 A CA 2.060 54.010 52.037 -0.144 0.000 0.627 470 A CB -0.555 18.328 19.000 -0.196 0.000 0.818 470 A HN 0.368 nan 8.150 nan 0.000 0.445 471 D N -0.454 119.904 120.400 -0.069 0.000 2.097 471 D HA -0.143 4.497 4.640 -0.000 0.000 0.195 471 D C 1.869 178.153 176.300 -0.027 0.000 0.989 471 D CA 1.605 55.584 54.000 -0.034 0.000 0.827 471 D CB -0.348 40.436 40.800 -0.028 0.000 0.966 471 D HN 0.543 nan 8.370 nan 0.000 0.456 472 K N 0.505 120.886 120.400 -0.032 0.000 2.020 472 K HA -0.131 4.189 4.320 -0.000 0.000 0.212 472 K C 2.248 178.840 176.600 -0.013 0.000 1.050 472 K CA 0.999 57.275 56.287 -0.019 0.000 0.929 472 K CB -0.266 32.223 32.500 -0.019 0.000 0.714 472 K HN 0.066 nan 8.250 nan 0.000 0.443 473 L N 0.214 121.426 121.223 -0.018 0.000 2.083 473 L HA -0.135 4.205 4.340 -0.000 0.000 0.209 473 L C 2.103 178.970 176.870 -0.005 0.000 1.083 473 L CA 0.974 55.809 54.840 -0.008 0.000 0.752 473 L CB -0.486 41.566 42.059 -0.012 0.000 0.899 473 L HN 0.269 nan 8.230 nan 0.000 0.433 474 A N -0.428 122.387 122.820 -0.008 0.000 2.247 474 A HA 0.023 4.343 4.320 -0.000 0.000 0.205 474 A C 0.106 177.691 177.584 0.001 0.000 1.261 474 A CA 0.342 52.379 52.037 -0.000 0.000 0.853 474 A CB -0.526 18.475 19.000 0.002 0.000 0.793 474 A HN 0.509 nan 8.150 nan 0.000 0.487 475 E N 0.000 120.200 120.200 -0.000 0.000 2.725 475 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 475 E CA 0.000 56.400 56.400 0.001 0.000 0.976 475 E CB 0.000 29.701 29.700 0.002 0.000 0.812 475 E HN 0.000 nan 8.360 nan 0.000 0.440