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 2jdi_1_E 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 QDYKSLQDIX XXXXXXXLSE EDKLTVSRAR DATA SEQUENCE KIQRFLSQPF QVAEVFTGHL GKLVPLKETI KGFQQILAGE YDHLPEQAFY DATA SEQUENCE MVGPIEEAVA KADKLA 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 0.000 174.836 174.700 0.227 0.000 1.109 9 T CA 0.000 62.181 62.100 0.135 0.000 1.349 9 T CB 0.000 68.962 68.868 0.156 0.000 0.612 10 T N 1.078 115.725 114.554 0.156 0.000 2.771 10 T HA 0.725 5.075 4.350 -0.000 0.000 0.281 10 T C 0.629 175.251 174.700 -0.131 0.000 0.982 10 T CA -0.166 61.969 62.100 0.059 0.000 0.978 10 T CB 1.126 69.994 68.868 0.000 0.000 0.930 10 T HN 1.030 nan 8.240 nan 0.000 0.447 11 G N 2.255 110.742 108.800 -0.522 0.000 2.552 11 G HA2 0.737 4.697 3.960 -0.000 0.000 0.318 11 G HA3 0.737 4.697 3.960 -0.000 0.000 0.318 11 G C -0.912 173.657 174.900 -0.553 0.000 1.240 11 G CA -0.961 43.479 45.100 -1.099 0.000 1.002 11 G HN 0.613 nan 8.290 nan 0.000 0.493 12 R N -0.755 119.458 120.500 -0.478 0.000 2.628 12 R HA 0.361 4.701 4.340 -0.000 0.000 0.288 12 R C -0.529 175.646 176.300 -0.208 0.000 0.980 12 R CA -0.777 55.169 56.100 -0.257 0.000 0.891 12 R CB 2.456 32.651 30.300 -0.175 0.000 1.188 12 R HN 0.373 nan 8.270 nan 0.000 0.450 13 I N 3.159 123.647 120.570 -0.136 0.000 2.668 13 I HA -0.110 4.060 4.170 -0.000 0.000 0.285 13 I C 1.492 177.566 176.117 -0.070 0.000 1.168 13 I CA 0.248 61.496 61.300 -0.086 0.000 1.424 13 I CB 0.756 38.722 38.000 -0.056 0.000 1.377 13 I HN 0.580 nan 8.210 nan 0.000 0.560 14 V N 2.967 122.848 119.914 -0.054 0.000 3.635 14 V HA 0.575 4.695 4.120 -0.000 0.000 0.266 14 V C 0.555 176.634 176.094 -0.026 0.000 1.316 14 V CA 0.345 62.621 62.300 -0.041 0.000 1.060 14 V CB 0.176 31.976 31.823 -0.039 0.000 0.820 14 V HN 0.727 nan 8.190 nan 0.000 0.447 15 A N -0.092 122.716 122.820 -0.020 0.000 2.517 15 A HA 0.801 5.121 4.320 -0.000 0.000 0.297 15 A C -1.244 176.334 177.584 -0.010 0.000 1.050 15 A CA -0.384 51.646 52.037 -0.013 0.000 0.694 15 A CB 2.215 21.210 19.000 -0.007 0.000 1.277 15 A HN 0.522 nan 8.150 nan 0.000 0.400 16 V N 2.962 122.871 119.914 -0.009 0.000 2.419 16 V HA 0.451 4.571 4.120 -0.000 0.000 0.287 16 V C -0.775 175.316 176.094 -0.006 0.000 1.017 16 V CA 0.011 62.307 62.300 -0.007 0.000 0.844 16 V CB 1.014 32.833 31.823 -0.008 0.000 1.011 16 V HN 0.695 nan 8.190 nan 0.000 0.429 17 I N 4.727 125.295 120.570 -0.004 0.000 2.495 17 I HA 0.629 4.799 4.170 -0.000 0.000 0.277 17 I C 1.131 177.245 176.117 -0.004 0.000 1.045 17 I CA 0.036 61.333 61.300 -0.004 0.000 1.135 17 I CB 1.233 39.231 38.000 -0.004 0.000 1.241 17 I HN 0.812 nan 8.210 nan 0.000 0.469 18 G N 4.745 113.542 108.800 -0.005 0.000 2.622 18 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.307 18 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.307 18 G C 0.803 175.700 174.900 -0.004 0.000 1.226 18 G CA 0.432 45.529 45.100 -0.005 0.000 0.997 18 G HN 0.840 nan 8.290 nan 0.000 0.551 19 A N -0.599 122.218 122.820 -0.004 0.000 2.327 19 A HA 0.602 4.922 4.320 -0.000 0.000 0.228 19 A C 0.576 178.161 177.584 0.001 0.000 1.275 19 A CA 1.212 53.247 52.037 -0.002 0.000 0.875 19 A CB -0.047 18.950 19.000 -0.005 0.000 0.925 19 A HN 1.377 nan 8.150 nan 0.000 0.493 20 V N 0.662 120.577 119.914 0.001 0.000 2.417 20 V HA 0.426 4.546 4.120 -0.000 0.000 0.291 20 V C -0.648 175.450 176.094 0.006 0.000 1.024 20 V CA -0.459 61.843 62.300 0.005 0.000 0.861 20 V CB 1.597 33.421 31.823 0.003 0.000 0.985 20 V HN 0.075 nan 8.190 nan 0.000 0.436 21 V N 3.836 123.757 119.914 0.012 0.000 2.531 21 V HA 0.488 4.607 4.120 -0.000 0.000 0.301 21 V C -0.901 175.204 176.094 0.020 0.000 1.034 21 V CA -0.796 61.511 62.300 0.011 0.000 0.865 21 V CB 2.089 33.919 31.823 0.011 0.000 0.995 21 V HN 0.803 nan 8.190 nan 0.000 0.424 22 D N 3.340 123.747 120.400 0.012 0.000 2.177 22 D HA 0.602 5.242 4.640 -0.000 0.000 0.247 22 D C -0.502 175.801 176.300 0.004 0.000 1.063 22 D CA -0.073 53.938 54.000 0.018 0.000 0.867 22 D CB 2.275 43.081 40.800 0.010 0.000 1.168 22 D HN 0.275 nan 8.370 nan 0.000 0.445 23 V N 2.018 121.949 119.914 0.028 0.000 2.588 23 V HA 0.307 4.427 4.120 -0.000 0.000 0.304 23 V C -0.151 175.930 176.094 -0.022 0.000 1.042 23 V CA -0.921 61.359 62.300 -0.033 0.000 0.877 23 V CB 1.990 33.816 31.823 0.004 0.000 0.996 23 V HN 0.396 nan 8.190 nan 0.000 0.425 24 Q N 2.745 122.449 119.800 -0.159 0.000 2.271 24 Q HA 0.646 4.986 4.340 -0.000 0.000 0.258 24 Q C -1.941 173.891 176.000 -0.280 0.000 0.936 24 Q CA -0.452 55.291 55.803 -0.100 0.000 0.909 24 Q CB 1.460 30.149 28.738 -0.081 0.000 1.253 24 Q HN 0.645 nan 8.270 nan 0.000 0.440 25 F N 1.891 121.808 119.950 -0.056 0.000 2.520 25 F HA 0.254 4.781 4.527 -0.000 0.000 0.322 25 F C 0.659 176.432 175.800 -0.045 0.000 1.103 25 F CA -0.693 57.277 58.000 -0.050 0.000 0.926 25 F CB 1.801 40.765 39.000 -0.060 0.000 1.154 25 F HN 0.605 nan 8.300 nan 0.000 0.453 26 D N 0.827 121.295 120.400 0.114 0.000 2.183 26 D HA -0.051 4.589 4.640 -0.000 0.000 0.205 26 D C 1.347 177.686 176.300 0.066 0.000 0.962 26 D CA 1.175 55.211 54.000 0.060 0.000 0.849 26 D CB 0.435 41.249 40.800 0.024 0.000 0.978 26 D HN 0.537 nan 8.370 nan 0.000 0.488 27 E N 0.375 120.630 120.200 0.091 0.000 3.286 27 E HA 0.240 4.590 4.350 -0.000 0.000 0.370 27 E C 0.907 177.528 176.600 0.035 0.000 0.516 27 E CA -0.034 56.399 56.400 0.055 0.000 1.885 27 E CB -0.510 29.220 29.700 0.050 0.000 2.150 27 E HN 0.006 nan 8.360 nan 0.000 0.509 28 G N 1.594 110.402 108.800 0.013 0.000 2.320 28 G HA2 0.404 4.364 3.960 -0.000 0.000 0.300 28 G HA3 0.404 4.364 3.960 -0.000 0.000 0.300 28 G C -0.530 174.272 174.900 -0.163 0.000 1.126 28 G CA -0.392 44.678 45.100 -0.050 0.000 0.896 28 G HN -0.065 nan 8.290 nan 0.000 0.436 29 L N 4.890 125.996 121.223 -0.195 0.000 2.410 29 L HA 0.259 4.599 4.340 -0.000 0.000 0.273 29 L C -1.431 175.225 176.870 -0.357 0.000 1.152 29 L CA -1.323 53.283 54.840 -0.389 0.000 0.855 29 L CB 0.772 42.603 42.059 -0.380 0.000 1.129 29 L HN 0.371 nan 8.230 nan 0.000 0.463 30 P HA 0.141 nan 4.420 nan 0.000 0.267 30 P C -2.628 174.669 177.300 -0.005 0.000 1.205 30 P CA -1.211 61.717 63.100 -0.287 0.000 0.765 30 P CB -0.035 31.438 31.700 -0.379 0.000 0.828 31 P HA 0.106 nan 4.420 nan 0.000 0.270 31 P C 0.539 177.822 177.300 -0.028 0.000 1.223 31 P CA -0.031 63.071 63.100 0.004 0.000 0.785 31 P CB 0.611 32.279 31.700 -0.055 0.000 0.923 32 I N 2.399 122.879 120.570 -0.151 0.000 2.845 32 I HA -0.168 4.002 4.170 -0.000 0.000 0.296 32 I C 1.568 177.602 176.117 -0.138 0.000 1.216 32 I CA 0.730 61.947 61.300 -0.139 0.000 1.438 32 I CB -0.402 37.476 38.000 -0.203 0.000 1.342 32 I HN 0.456 nan 8.210 nan 0.000 0.577 33 L N 1.913 123.052 121.223 -0.139 0.000 4.383 33 L HA -0.241 4.099 4.340 -0.000 0.000 0.402 33 L C 0.247 177.057 176.870 -0.100 0.000 0.803 33 L CA 0.107 54.817 54.840 -0.216 0.000 2.175 33 L CB -1.541 40.267 42.059 -0.418 0.000 1.434 33 L HN 0.681 nan 8.230 nan 0.000 0.591 34 N N 1.279 119.946 118.700 -0.055 0.000 2.492 34 N HA 0.465 5.205 4.740 -0.000 0.000 0.260 34 N C 0.284 175.799 175.510 0.008 0.000 1.215 34 N CA 0.942 53.979 53.050 -0.021 0.000 0.923 34 N CB 0.884 39.347 38.487 -0.038 0.000 1.092 34 N HN 0.307 nan 8.380 nan 0.000 0.448 35 A N 2.721 125.555 122.820 0.024 0.000 2.320 35 A HA 0.506 4.826 4.320 -0.000 0.000 0.287 35 A C -0.393 177.214 177.584 0.038 0.000 1.181 35 A CA -0.466 51.593 52.037 0.038 0.000 0.831 35 A CB -0.055 18.970 19.000 0.041 0.000 1.102 35 A HN 0.629 nan 8.150 nan 0.000 0.513 36 L N 2.197 123.454 121.223 0.056 0.000 2.334 36 L HA 0.494 4.833 4.340 -0.000 0.000 0.276 36 L C -0.157 176.749 176.870 0.061 0.000 1.014 36 L CA -0.694 54.195 54.840 0.081 0.000 0.815 36 L CB 1.701 43.842 42.059 0.137 0.000 1.268 36 L HN 0.587 nan 8.230 nan 0.000 0.428 37 E N 2.730 122.963 120.200 0.056 0.000 2.092 37 E HA 0.267 4.617 4.350 -0.000 0.000 0.271 37 E C -0.727 175.890 176.600 0.028 0.000 0.919 37 E CA -0.565 55.855 56.400 0.033 0.000 0.760 37 E CB 2.333 32.046 29.700 0.020 0.000 1.106 37 E HN 0.235 nan 8.360 nan 0.000 0.408 38 V N 4.138 124.064 119.914 0.020 0.000 2.585 38 V HA -0.061 4.059 4.120 -0.000 0.000 0.296 38 V C 0.736 176.830 176.094 0.000 0.000 1.035 38 V CA -0.018 62.286 62.300 0.006 0.000 1.084 38 V CB 0.551 32.376 31.823 0.003 0.000 0.953 38 V HN 0.486 nan 8.190 nan 0.000 0.483 39 Q N 2.322 122.117 119.800 -0.008 0.000 2.221 39 Q HA 0.493 4.833 4.340 -0.000 0.000 0.242 39 Q C 0.941 176.934 176.000 -0.012 0.000 0.940 39 Q CA 0.252 56.049 55.803 -0.010 0.000 0.896 39 Q CB 1.336 30.065 28.738 -0.014 0.000 1.226 39 Q HN 1.168 nan 8.270 nan 0.000 0.463 40 G N 1.571 110.365 108.800 -0.010 0.000 2.326 40 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.286 40 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.286 40 G C -0.205 174.690 174.900 -0.008 0.000 1.096 40 G CA 0.299 45.394 45.100 -0.010 0.000 1.003 40 G HN 0.410 nan 8.290 nan 0.000 0.503 41 R N -1.291 119.206 120.500 -0.005 0.000 2.764 41 R HA 0.428 4.768 4.340 -0.000 0.000 0.270 41 R C 1.117 177.416 176.300 -0.002 0.000 1.014 41 R CA -0.724 55.374 56.100 -0.003 0.000 0.904 41 R CB 1.088 31.387 30.300 -0.002 0.000 1.236 41 R HN 0.214 nan 8.270 nan 0.000 0.466 42 E N 0.282 120.481 120.200 -0.000 0.000 2.017 42 E HA -0.109 4.241 4.350 -0.000 0.000 0.193 42 E C 0.482 177.083 176.600 0.002 0.000 0.997 42 E CA 1.794 58.195 56.400 0.001 0.000 0.804 42 E CB 0.122 29.822 29.700 0.001 0.000 0.757 42 E HN 0.613 nan 8.360 nan 0.000 0.448 43 T N -1.461 113.095 114.554 0.003 0.000 2.949 43 T HA 0.398 4.748 4.350 -0.000 0.000 0.287 43 T C -0.075 174.628 174.700 0.005 0.000 1.034 43 T CA -0.954 61.149 62.100 0.005 0.000 1.018 43 T CB 2.039 70.910 68.868 0.006 0.000 1.135 43 T HN -0.076 nan 8.240 nan 0.000 0.532 44 R N 0.785 121.289 120.500 0.007 0.000 2.351 44 R HA 0.328 4.668 4.340 -0.000 0.000 0.318 44 R C -0.992 175.315 176.300 0.011 0.000 1.055 44 R CA -0.581 55.523 56.100 0.008 0.000 0.968 44 R CB -0.208 30.097 30.300 0.009 0.000 0.974 44 R HN 0.528 nan 8.270 nan 0.000 0.439 45 L N 6.358 127.587 121.223 0.010 0.000 2.276 45 L HA 0.328 4.668 4.340 -0.000 0.000 0.286 45 L C -1.146 175.736 176.870 0.018 0.000 1.024 45 L CA -0.389 54.459 54.840 0.013 0.000 0.826 45 L CB 1.647 43.712 42.059 0.010 0.000 1.211 45 L HN 0.307 nan 8.230 nan 0.000 0.422 46 V N 6.463 126.391 119.914 0.023 0.000 2.472 46 V HA 0.478 4.598 4.120 -0.000 0.000 0.290 46 V C 0.036 176.150 176.094 0.034 0.000 1.037 46 V CA -0.572 61.745 62.300 0.030 0.000 0.908 46 V CB 1.644 33.486 31.823 0.032 0.000 0.985 46 V HN 0.589 nan 8.190 nan 0.000 0.454 47 L N 4.001 125.249 121.223 0.042 0.000 2.341 47 L HA 0.607 4.947 4.340 -0.000 0.000 0.278 47 L C -0.107 176.794 176.870 0.051 0.000 1.005 47 L CA -0.401 54.466 54.840 0.045 0.000 0.818 47 L CB 1.982 44.073 42.059 0.052 0.000 1.259 47 L HN 0.630 nan 8.230 nan 0.000 0.418 48 E N 2.377 122.605 120.200 0.047 0.000 2.134 48 E HA 0.329 4.679 4.350 -0.000 0.000 0.278 48 E C -0.951 175.668 176.600 0.032 0.000 0.959 48 E CA -0.793 55.633 56.400 0.044 0.000 0.783 48 E CB 1.745 31.481 29.700 0.060 0.000 1.095 48 E HN 0.347 nan 8.360 nan 0.000 0.399 49 V N 4.234 124.163 119.914 0.025 0.000 2.540 49 V HA 0.017 4.137 4.120 -0.000 0.000 0.297 49 V C 0.941 177.038 176.094 0.005 0.000 1.024 49 V CA 1.071 63.391 62.300 0.033 0.000 1.105 49 V CB 0.728 32.576 31.823 0.042 0.000 0.938 49 V HN 0.889 nan 8.190 nan 0.000 0.482 50 A N 4.227 127.061 122.820 0.022 0.000 2.070 50 A HA 0.334 4.654 4.320 -0.000 0.000 0.202 50 A C 0.702 178.288 177.584 0.004 0.000 1.277 50 A CA 0.186 52.222 52.037 -0.002 0.000 0.872 50 A CB 0.400 19.402 19.000 0.003 0.000 0.933 50 A HN 0.757 nan 8.150 nan 0.000 0.475 51 Q N -0.744 119.089 119.800 0.055 0.000 2.377 51 Q HA 0.355 4.695 4.340 -0.000 0.000 0.279 51 Q C -1.696 174.427 176.000 0.205 0.000 1.049 51 Q CA -0.505 55.341 55.803 0.071 0.000 0.825 51 Q CB 1.978 30.744 28.738 0.047 0.000 1.401 51 Q HN 0.623 nan 8.270 nan 0.000 0.404 52 H N 2.563 121.626 119.070 -0.011 0.000 2.690 52 H HA 0.226 4.782 4.556 -0.000 0.000 0.289 52 H C 0.620 175.949 175.328 0.002 0.000 1.089 52 H CA -0.253 55.792 56.048 -0.005 0.000 1.299 52 H CB 1.006 30.759 29.762 -0.015 0.000 1.405 52 H HN 0.462 nan 8.280 nan 0.000 0.463 53 L N 2.863 124.141 121.223 0.091 0.000 2.395 53 L HA 0.116 4.455 4.340 -0.000 0.000 0.218 53 L C 1.194 178.087 176.870 0.038 0.000 1.130 53 L CA 0.594 55.465 54.840 0.052 0.000 0.826 53 L CB -0.045 42.035 42.059 0.034 0.000 0.941 53 L HN 0.883 nan 8.230 nan 0.000 0.451 54 G N 0.046 108.866 108.800 0.033 0.000 2.612 54 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.686 54 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.686 54 G C -0.077 174.826 174.900 0.004 0.000 1.274 54 G CA -0.499 44.613 45.100 0.019 0.000 0.849 54 G HN 0.302 nan 8.290 nan 0.000 0.595 55 E N -0.793 119.409 120.200 0.003 0.000 2.269 55 E HA -0.184 4.166 4.350 -0.000 0.000 0.223 55 E C 1.045 177.644 176.600 -0.002 0.000 1.244 55 E CA 1.042 57.443 56.400 0.000 0.000 0.713 55 E CB -1.507 28.193 29.700 0.001 0.000 1.178 55 E HN 2.005 nan 8.360 nan 0.000 0.370 56 S N -2.009 113.685 115.700 -0.011 0.000 3.521 56 S HA -0.213 4.257 4.470 -0.000 0.000 0.328 56 S C 0.135 174.746 174.600 0.018 0.000 1.165 56 S CA 1.490 59.686 58.200 -0.006 0.000 0.941 56 S CB -0.968 62.245 63.200 0.021 0.000 0.951 56 S HN 0.483 nan 8.310 nan 0.000 0.539 57 T N 1.450 116.000 114.554 -0.006 0.000 2.829 57 T HA 0.627 4.977 4.350 -0.000 0.000 0.280 57 T C 0.193 174.893 174.700 0.001 0.000 0.999 57 T CA -0.371 61.741 62.100 0.021 0.000 0.983 57 T CB 1.875 70.751 68.868 0.013 0.000 0.968 57 T HN 0.498 nan 8.240 nan 0.000 0.446 58 V N 1.329 121.274 119.914 0.051 0.000 2.667 58 V HA 0.746 4.866 4.120 -0.000 0.000 0.308 58 V C -0.165 175.976 176.094 0.079 0.000 1.048 58 V CA -1.346 60.990 62.300 0.060 0.000 0.928 58 V CB 1.599 33.463 31.823 0.069 0.000 1.004 58 V HN 0.839 nan 8.190 nan 0.000 0.444 59 R N 2.133 122.679 120.500 0.077 0.000 2.368 59 R HA 0.733 5.073 4.340 -0.000 0.000 0.302 59 R C -0.491 175.844 176.300 0.058 0.000 1.002 59 R CA 0.004 56.138 56.100 0.056 0.000 0.929 59 R CB 1.451 31.776 30.300 0.041 0.000 1.073 59 R HN 1.047 nan 8.270 nan 0.000 0.464 60 T N 4.657 119.240 114.554 0.048 0.000 2.907 60 T HA 0.425 4.775 4.350 -0.000 0.000 0.292 60 T C -0.189 174.528 174.700 0.029 0.000 1.043 60 T CA -0.829 61.298 62.100 0.045 0.000 1.003 60 T CB 1.290 70.194 68.868 0.060 0.000 1.084 60 T HN 0.618 nan 8.240 nan 0.000 0.483 61 I N -0.384 120.201 120.570 0.026 0.000 2.378 61 I HA 0.838 5.008 4.170 -0.000 0.000 0.291 61 I C 0.166 176.296 176.117 0.022 0.000 0.992 61 I CA -1.314 59.997 61.300 0.018 0.000 1.154 61 I CB 1.125 39.132 38.000 0.012 0.000 1.315 61 I HN 0.704 nan 8.210 nan 0.000 0.448 62 A N 6.883 129.713 122.820 0.016 0.000 2.388 62 A HA 0.463 4.783 4.320 -0.000 0.000 0.257 62 A C 0.845 178.439 177.584 0.017 0.000 1.095 62 A CA -0.481 51.566 52.037 0.017 0.000 0.791 62 A CB 0.632 19.639 19.000 0.012 0.000 1.029 62 A HN 0.887 nan 8.150 nan 0.000 0.489 63 M N 0.547 120.159 119.600 0.021 0.000 2.502 63 M HA 0.161 4.641 4.480 -0.000 0.000 0.243 63 M C -0.037 176.273 176.300 0.017 0.000 1.130 63 M CA 0.689 56.002 55.300 0.022 0.000 1.055 63 M CB -0.852 31.765 32.600 0.028 0.000 1.457 63 M HN 0.805 nan 8.290 nan 0.000 0.488 64 D N -1.102 119.306 120.400 0.014 0.000 2.626 64 D HA 0.486 5.126 4.640 -0.000 0.000 0.278 64 D C -0.470 175.834 176.300 0.008 0.000 1.211 64 D CA -0.221 53.786 54.000 0.011 0.000 0.903 64 D CB 1.424 42.231 40.800 0.012 0.000 1.408 64 D HN 0.103 nan 8.370 nan 0.000 0.454 65 G N -0.881 107.923 108.800 0.006 0.000 2.484 65 G HA2 0.312 4.272 3.960 -0.000 0.000 0.235 65 G HA3 0.312 4.272 3.960 -0.000 0.000 0.235 65 G C 0.844 175.746 174.900 0.003 0.000 1.282 65 G CA 0.593 45.695 45.100 0.003 0.000 0.857 65 G HN 0.435 nan 8.290 nan 0.000 0.571 66 T N -1.432 113.122 114.554 0.001 0.000 3.069 66 T HA 0.149 4.499 4.350 -0.000 0.000 0.252 66 T C 0.782 175.481 174.700 -0.002 0.000 1.053 66 T CA 0.071 62.171 62.100 -0.000 0.000 0.964 66 T CB 0.015 68.882 68.868 -0.001 0.000 1.005 66 T HN 0.669 nan 8.240 nan 0.000 0.532 67 E N 1.945 122.144 120.200 -0.002 0.000 2.442 67 E HA 0.239 4.589 4.350 -0.000 0.000 0.262 67 E C 1.238 177.836 176.600 -0.004 0.000 1.004 67 E CA 0.779 57.177 56.400 -0.003 0.000 0.928 67 E CB -0.055 29.643 29.700 -0.002 0.000 0.937 67 E HN 0.474 nan 8.360 nan 0.000 0.446 68 G N 2.508 111.305 108.800 -0.005 0.000 2.234 68 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.260 68 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.260 68 G C 0.401 175.296 174.900 -0.008 0.000 0.987 68 G CA 0.290 45.387 45.100 -0.006 0.000 0.625 68 G HN 0.491 nan 8.290 nan 0.000 0.532 69 L N 0.867 122.085 121.223 -0.008 0.000 2.456 69 L HA 0.457 4.797 4.340 -0.000 0.000 0.272 69 L C 0.664 177.525 176.870 -0.014 0.000 1.189 69 L CA -0.240 54.593 54.840 -0.011 0.000 0.846 69 L CB 1.082 43.135 42.059 -0.011 0.000 1.111 69 L HN 0.016 nan 8.230 nan 0.000 0.475 70 V N 3.058 122.961 119.914 -0.018 0.000 2.680 70 V HA 0.391 4.511 4.120 -0.000 0.000 0.309 70 V C 0.116 176.194 176.094 -0.027 0.000 1.052 70 V CA -0.980 61.308 62.300 -0.020 0.000 0.908 70 V CB 1.907 33.718 31.823 -0.020 0.000 1.001 70 V HN 0.673 nan 8.190 nan 0.000 0.431 71 R N 1.983 122.467 120.500 -0.026 0.000 2.570 71 R HA 0.423 4.763 4.340 -0.000 0.000 0.277 71 R C 1.308 177.585 176.300 -0.039 0.000 1.039 71 R CA 1.022 57.102 56.100 -0.033 0.000 1.065 71 R CB 0.187 30.470 30.300 -0.028 0.000 0.964 71 R HN 1.217 nan 8.270 nan 0.000 0.428 72 G N 1.480 110.249 108.800 -0.052 0.000 2.195 72 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.246 72 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.246 72 G C 0.205 175.068 174.900 -0.062 0.000 0.984 72 G CA 0.068 45.132 45.100 -0.059 0.000 0.633 72 G HN 0.599 nan 8.290 nan 0.000 0.525 73 Q N 0.620 120.387 119.800 -0.056 0.000 2.361 73 Q HA 0.452 4.792 4.340 -0.000 0.000 0.276 73 Q C 0.233 176.189 176.000 -0.072 0.000 1.022 73 Q CA 0.183 55.955 55.803 -0.052 0.000 0.898 73 Q CB 0.317 29.031 28.738 -0.039 0.000 1.246 73 Q HN 0.241 nan 8.270 nan 0.000 0.410 74 K N 1.543 121.904 120.400 -0.065 0.000 2.270 74 K HA 0.359 4.679 4.320 -0.000 0.000 0.276 74 K C -1.300 175.259 176.600 -0.069 0.000 1.023 74 K CA -0.157 56.083 56.287 -0.080 0.000 0.955 74 K CB 1.394 33.860 32.500 -0.057 0.000 0.975 74 K HN 0.335 nan 8.250 nan 0.000 0.471 75 V N 3.962 123.818 119.914 -0.096 0.000 2.638 75 V HA 0.319 4.439 4.120 -0.000 0.000 0.306 75 V C -1.038 175.068 176.094 0.021 0.000 1.052 75 V CA -1.035 61.240 62.300 -0.041 0.000 0.885 75 V CB 1.827 33.615 31.823 -0.057 0.000 0.999 75 V HN 0.559 nan 8.190 nan 0.000 0.424 76 L N 3.595 124.862 121.223 0.074 0.000 2.295 76 L HA 0.578 4.918 4.340 -0.000 0.000 0.285 76 L C -0.422 176.544 176.870 0.159 0.000 1.035 76 L CA -0.070 54.838 54.840 0.112 0.000 0.806 76 L CB 1.584 43.675 42.059 0.054 0.000 1.214 76 L HN 0.786 nan 8.230 nan 0.000 0.426 77 D N 2.363 122.884 120.400 0.202 0.000 2.343 77 D HA 0.026 4.666 4.640 -0.000 0.000 0.255 77 D C 1.171 177.491 176.300 0.033 0.000 1.187 77 D CA 0.128 54.179 54.000 0.085 0.000 0.875 77 D CB 1.359 42.136 40.800 -0.037 0.000 1.136 77 D HN 0.594 nan 8.370 nan 0.000 0.469 78 S N 2.709 118.418 115.700 0.016 0.000 2.522 78 S HA 0.118 4.588 4.470 -0.000 0.000 0.227 78 S C 1.706 176.296 174.600 -0.015 0.000 0.986 78 S CA 0.607 58.806 58.200 -0.002 0.000 0.929 78 S CB -0.171 63.027 63.200 -0.004 0.000 0.769 78 S HN 0.907 nan 8.310 nan 0.000 0.529 79 G N 0.186 108.973 108.800 -0.023 0.000 2.176 79 G HA2 0.078 4.038 3.960 -0.000 0.000 0.253 79 G HA3 0.078 4.038 3.960 -0.000 0.000 0.253 79 G C 0.148 175.035 174.900 -0.022 0.000 0.979 79 G CA -0.149 44.934 45.100 -0.028 0.000 0.641 79 G HN 1.611 nan 8.290 nan 0.000 0.530 80 A N -0.868 121.944 122.820 -0.013 0.000 2.610 80 A HA 0.893 5.213 4.320 -0.000 0.000 0.291 80 A C -2.959 174.634 177.584 0.015 0.000 1.086 80 A CA -0.731 51.306 52.037 0.000 0.000 0.677 80 A CB 1.129 20.132 19.000 0.006 0.000 1.278 80 A HN 0.085 nan 8.150 nan 0.000 0.414 81 P HA 0.270 nan 4.420 nan 0.000 0.272 81 P C -0.246 177.107 177.300 0.087 0.000 1.254 81 P CA -0.213 62.935 63.100 0.080 0.000 0.795 81 P CB 0.193 31.983 31.700 0.149 0.000 1.022 82 I N 0.679 121.316 120.570 0.113 0.000 2.906 82 I HA -0.129 4.041 4.170 -0.000 0.000 0.301 82 I C 1.164 177.324 176.117 0.071 0.000 1.221 82 I CA 1.135 62.483 61.300 0.079 0.000 1.435 82 I CB -0.229 37.816 38.000 0.076 0.000 1.345 82 I HN 0.158 nan 8.210 nan 0.000 0.558 83 R N 6.665 127.204 120.500 0.066 0.000 2.599 83 R HA 0.702 5.042 4.340 -0.000 0.000 0.295 83 R C -0.949 175.445 176.300 0.157 0.000 0.963 83 R CA -0.812 55.345 56.100 0.096 0.000 0.883 83 R CB 1.991 32.337 30.300 0.076 0.000 1.171 83 R HN 0.554 nan 8.270 nan 0.000 0.450 84 I N -0.729 119.947 120.570 0.176 0.000 2.785 84 I HA 0.603 4.773 4.170 -0.000 0.000 0.302 84 I C -2.709 173.438 176.117 0.049 0.000 1.069 84 I CA -3.258 58.132 61.300 0.150 0.000 1.045 84 I CB 1.901 39.924 38.000 0.038 0.000 1.236 84 I HN 0.334 nan 8.210 nan 0.000 0.429 85 P HA 0.212 nan 4.420 nan 0.000 0.267 85 P C -0.756 176.281 177.300 -0.440 0.000 1.205 85 P CA -0.123 62.612 63.100 -0.607 0.000 0.765 85 P CB 0.671 32.087 31.700 -0.473 0.000 0.828 86 V N 0.912 120.494 119.914 -0.554 0.000 2.823 86 V HA 1.033 5.153 4.120 -0.000 0.000 0.312 86 V C 0.070 175.572 176.094 -0.986 0.000 1.072 86 V CA -0.249 61.677 62.300 -0.623 0.000 0.937 86 V CB 1.478 33.025 31.823 -0.461 0.000 1.013 86 V HN 0.905 nan 8.190 nan 0.000 0.430 87 G N 3.392 111.429 108.800 -1.273 0.000 2.359 87 G HA2 0.208 4.167 3.960 -0.000 0.000 0.303 87 G HA3 0.208 4.167 3.960 -0.000 0.000 0.303 87 G C -2.645 171.963 174.900 -0.487 0.000 1.293 87 G CA 0.018 44.342 45.100 -1.293 0.000 0.964 87 G HN 0.612 nan 8.290 nan 0.000 0.531 88 P HA -0.039 nan 4.420 nan 0.000 0.219 88 P C 1.136 178.400 177.300 -0.060 0.000 1.146 88 P CA 1.566 64.690 63.100 0.039 0.000 0.808 88 P CB 0.095 31.828 31.700 0.054 0.000 0.779 89 E N -0.601 119.526 120.200 -0.122 0.000 2.409 89 E HA -0.089 4.261 4.350 -0.000 0.000 0.198 89 E C 1.877 178.409 176.600 -0.113 0.000 1.024 89 E CA 1.429 57.761 56.400 -0.114 0.000 0.861 89 E CB -1.094 28.526 29.700 -0.132 0.000 0.788 89 E HN 0.437 nan 8.360 nan 0.000 0.521 90 T N -1.469 113.013 114.554 -0.119 0.000 3.023 90 T HA 0.013 4.363 4.350 -0.000 0.000 0.266 90 T C 0.863 175.540 174.700 -0.039 0.000 1.093 90 T CA 0.018 62.067 62.100 -0.086 0.000 1.129 90 T CB -0.197 68.619 68.868 -0.087 0.000 0.899 90 T HN 0.002 nan 8.240 nan 0.000 0.491 91 L N 2.035 123.235 121.223 -0.038 0.000 2.477 91 L HA 0.432 4.771 4.340 -0.000 0.000 0.272 91 L C 1.672 178.507 176.870 -0.058 0.000 1.157 91 L CA 0.812 55.606 54.840 -0.076 0.000 0.889 91 L CB 0.143 42.072 42.059 -0.216 0.000 1.158 91 L HN 0.574 nan 8.230 nan 0.000 0.473 92 G N 2.088 110.869 108.800 -0.032 0.000 2.176 92 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.253 92 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.253 92 G C 0.377 175.283 174.900 0.009 0.000 0.979 92 G CA -0.399 44.701 45.100 -0.001 0.000 0.641 92 G HN 0.466 nan 8.290 nan 0.000 0.530 93 R N -0.032 120.442 120.500 -0.043 0.000 2.573 93 R HA 0.740 5.080 4.340 -0.000 0.000 0.272 93 R C 0.361 176.555 176.300 -0.177 0.000 1.009 93 R CA -0.872 55.174 56.100 -0.091 0.000 1.059 93 R CB 0.709 30.957 30.300 -0.088 0.000 1.112 93 R HN 0.345 nan 8.270 nan 0.000 0.517 94 I N 2.969 123.374 120.570 -0.276 0.000 2.362 94 I HA 0.388 4.557 4.170 -0.000 0.000 0.289 94 I C 0.524 176.493 176.117 -0.246 0.000 0.994 94 I CA -0.650 60.419 61.300 -0.386 0.000 1.158 94 I CB 1.332 38.944 38.000 -0.648 0.000 1.315 94 I HN 0.400 nan 8.210 nan 0.000 0.451 95 M N 4.387 123.876 119.600 -0.185 0.000 2.724 95 M HA 0.622 5.102 4.480 -0.000 0.000 0.310 95 M C -0.859 175.406 176.300 -0.058 0.000 1.217 95 M CA -0.665 54.575 55.300 -0.100 0.000 0.894 95 M CB 1.905 34.465 32.600 -0.067 0.000 1.719 95 M HN 0.511 nan 8.290 nan 0.000 0.479 96 N N 0.596 119.287 118.700 -0.015 0.000 2.593 96 N HA 0.230 4.970 4.740 -0.000 0.000 0.304 96 N C 0.532 176.057 175.510 0.026 0.000 1.296 96 N CA -0.734 52.330 53.050 0.024 0.000 0.950 96 N CB 0.116 38.620 38.487 0.030 0.000 1.127 96 N HN 0.610 nan 8.380 nan 0.000 0.587 97 V N -0.439 119.497 119.914 0.036 0.000 2.469 97 V HA -0.132 3.988 4.120 -0.000 0.000 0.251 97 V C 1.568 177.677 176.094 0.025 0.000 1.064 97 V CA 1.903 64.222 62.300 0.030 0.000 1.066 97 V CB -0.852 30.991 31.823 0.033 0.000 0.667 97 V HN 0.650 nan 8.190 nan 0.000 0.461 98 I N -2.204 118.382 120.570 0.028 0.000 3.861 98 I HA 0.525 4.695 4.170 -0.000 0.000 0.329 98 I C 1.342 177.483 176.117 0.040 0.000 1.321 98 I CA 0.610 61.930 61.300 0.034 0.000 1.126 98 I CB -0.302 37.717 38.000 0.032 0.000 1.018 98 I HN 0.313 nan 8.210 nan 0.000 0.407 99 G N 1.095 109.912 108.800 0.029 0.000 2.159 99 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.256 99 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.256 99 G C -0.103 174.812 174.900 0.025 0.000 0.977 99 G CA 0.028 45.145 45.100 0.028 0.000 0.652 99 G HN 0.645 nan 8.290 nan 0.000 0.531 100 E N 1.817 122.028 120.200 0.017 0.000 2.354 100 E HA 0.348 4.698 4.350 -0.000 0.000 0.269 100 E C -2.131 174.458 176.600 -0.018 0.000 1.036 100 E CA -1.676 54.730 56.400 0.009 0.000 0.876 100 E CB 1.091 30.797 29.700 0.010 0.000 1.009 100 E HN 0.202 nan 8.360 nan 0.000 0.416 101 P HA -0.009 nan 4.420 nan 0.000 0.271 101 P C 0.068 177.336 177.300 -0.054 0.000 1.220 101 P CA 0.494 63.562 63.100 -0.054 0.000 0.768 101 P CB 0.281 31.955 31.700 -0.043 0.000 0.848 102 I N -0.356 120.161 120.570 -0.088 0.000 4.009 102 I HA 0.229 4.399 4.170 -0.000 0.000 0.331 102 I C 0.256 176.304 176.117 -0.115 0.000 1.462 102 I CA -0.236 61.019 61.300 -0.075 0.000 1.117 102 I CB -0.056 37.916 38.000 -0.048 0.000 1.091 102 I HN 0.013 nan 8.210 nan 0.000 0.410 103 D N 0.539 120.850 120.400 -0.149 0.000 2.340 103 D HA 0.005 4.645 4.640 -0.000 0.000 0.217 103 D C 0.406 176.673 176.300 -0.056 0.000 1.081 103 D CA -0.160 53.734 54.000 -0.177 0.000 0.842 103 D CB -0.275 40.358 40.800 -0.278 0.000 0.934 103 D HN 0.483 nan 8.370 nan 0.000 0.511 104 E N -0.298 119.882 120.200 -0.034 0.000 2.539 104 E HA -0.276 4.074 4.350 -0.000 0.000 0.253 104 E C 0.475 177.078 176.600 0.004 0.000 1.145 104 E CA 0.286 56.683 56.400 -0.004 0.000 0.738 104 E CB -1.100 28.608 29.700 0.014 0.000 1.308 104 E HN 0.424 nan 8.360 nan 0.000 0.409 105 R N -0.309 120.187 120.500 -0.006 0.000 2.472 105 R HA 0.272 4.612 4.340 -0.000 0.000 0.279 105 R C 0.882 177.180 176.300 -0.003 0.000 0.953 105 R CA 0.373 56.474 56.100 0.003 0.000 1.088 105 R CB 1.246 31.550 30.300 0.007 0.000 1.197 105 R HN 0.311 nan 8.270 nan 0.000 0.536 106 G N 1.655 110.451 108.800 -0.007 0.000 2.549 106 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.404 106 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.404 106 G C -2.719 172.176 174.900 -0.009 0.000 1.292 106 G CA -1.305 43.792 45.100 -0.004 0.000 0.935 106 G HN -0.045 nan 8.290 nan 0.000 0.512 107 P HA 0.417 nan 4.420 nan 0.000 0.268 107 P C 0.113 177.403 177.300 -0.018 0.000 1.205 107 P CA -0.148 62.953 63.100 0.002 0.000 0.771 107 P CB 0.363 32.072 31.700 0.014 0.000 0.858 108 I N 3.168 123.720 120.570 -0.029 0.000 2.294 108 I HA 0.094 4.264 4.170 -0.000 0.000 0.295 108 I C 0.694 176.755 176.117 -0.093 0.000 1.098 108 I CA -0.080 61.176 61.300 -0.073 0.000 1.277 108 I CB -0.059 37.881 38.000 -0.101 0.000 1.434 108 I HN 0.126 nan 8.210 nan 0.000 0.498 109 K N 5.217 125.568 120.400 -0.082 0.000 2.518 109 K HA 0.152 4.472 4.320 -0.000 0.000 0.244 109 K C 0.394 176.920 176.600 -0.123 0.000 1.232 109 K CA -0.317 55.930 56.287 -0.067 0.000 1.189 109 K CB -0.168 32.313 32.500 -0.032 0.000 1.737 109 K HN 0.605 nan 8.250 nan 0.000 0.333 110 T N -2.007 112.405 114.554 -0.235 0.000 2.899 110 T HA 0.152 4.502 4.350 -0.000 0.000 0.284 110 T C 0.949 175.509 174.700 -0.234 0.000 1.004 110 T CA -0.850 61.061 62.100 -0.314 0.000 1.043 110 T CB 1.237 69.789 68.868 -0.527 0.000 1.013 110 T HN 0.422 nan 8.240 nan 0.000 0.518 111 K N 0.185 120.479 120.400 -0.176 0.000 2.393 111 K HA 0.191 4.511 4.320 -0.000 0.000 0.193 111 K C -0.068 176.511 176.600 -0.035 0.000 1.026 111 K CA -0.067 56.184 56.287 -0.060 0.000 1.064 111 K CB 0.072 32.559 32.500 -0.022 0.000 0.833 111 K HN 0.519 nan 8.250 nan 0.000 0.521 112 Q N 0.259 119.956 119.800 -0.172 0.000 2.397 112 Q HA 0.528 4.868 4.340 -0.000 0.000 0.275 112 Q C -1.300 174.520 176.000 -0.300 0.000 1.090 112 Q CA -0.583 55.166 55.803 -0.091 0.000 0.809 112 Q CB 1.812 30.513 28.738 -0.062 0.000 1.362 112 Q HN 0.029 nan 8.270 nan 0.000 0.431 113 F N 0.149 120.063 119.950 -0.060 0.000 2.579 113 F HA 0.924 5.451 4.527 -0.000 0.000 0.324 113 F C -0.340 175.439 175.800 -0.036 0.000 1.058 113 F CA -1.046 56.919 58.000 -0.059 0.000 0.944 113 F CB 2.092 41.067 39.000 -0.042 0.000 1.245 113 F HN 0.577 nan 8.300 nan 0.000 0.477 114 A N 1.016 123.917 122.820 0.136 0.000 2.520 114 A HA 0.798 5.118 4.320 -0.000 0.000 0.298 114 A C -1.197 176.431 177.584 0.073 0.000 1.051 114 A CA -0.748 51.337 52.037 0.081 0.000 0.690 114 A CB 0.980 20.003 19.000 0.038 0.000 1.281 114 A HN 1.034 nan 8.150 nan 0.000 0.402 115 A N 1.333 124.193 122.820 0.065 0.000 2.477 115 A HA 0.446 4.766 4.320 -0.000 0.000 0.246 115 A C 1.098 178.706 177.584 0.039 0.000 1.078 115 A CA 0.301 52.377 52.037 0.064 0.000 0.770 115 A CB -0.453 18.590 19.000 0.072 0.000 1.011 115 A HN 1.758 nan 8.150 nan 0.000 0.494 116 I N -0.492 120.088 120.570 0.017 0.000 2.928 116 I HA 0.051 4.221 4.170 -0.000 0.000 0.266 116 I C 0.212 176.216 176.117 -0.189 0.000 1.234 116 I CA 0.486 61.735 61.300 -0.084 0.000 1.483 116 I CB -0.226 37.699 38.000 -0.125 0.000 1.097 116 I HN 0.531 nan 8.210 nan 0.000 0.455 117 H N 2.925 122.008 119.070 0.021 0.000 2.690 117 H HA 0.725 5.281 4.556 -0.000 0.000 0.289 117 H C -0.543 174.793 175.328 0.013 0.000 1.089 117 H CA -0.218 55.840 56.048 0.017 0.000 1.299 117 H CB 1.246 31.016 29.762 0.013 0.000 1.405 117 H HN 0.424 nan 8.280 nan 0.000 0.463 118 A N 3.911 126.785 122.820 0.090 0.000 2.475 118 A HA 0.342 4.662 4.320 -0.000 0.000 0.301 118 A C -0.041 177.575 177.584 0.052 0.000 1.059 118 A CA -0.906 51.167 52.037 0.060 0.000 0.710 118 A CB 1.777 20.796 19.000 0.032 0.000 1.288 118 A HN 0.619 nan 8.150 nan 0.000 0.408 119 E N 1.039 121.265 120.200 0.043 0.000 2.383 119 E HA 0.392 4.742 4.350 -0.000 0.000 0.264 119 E C 0.508 177.124 176.600 0.027 0.000 1.050 119 E CA 0.016 56.438 56.400 0.037 0.000 0.896 119 E CB 1.240 30.959 29.700 0.032 0.000 0.982 119 E HN 0.776 nan 8.360 nan 0.000 0.424 120 A N 4.170 127.006 122.820 0.027 0.000 2.466 120 A HA 0.209 4.529 4.320 -0.000 0.000 0.238 120 A C -2.047 175.549 177.584 0.021 0.000 1.074 120 A CA -0.978 51.071 52.037 0.019 0.000 0.774 120 A CB -0.505 18.509 19.000 0.024 0.000 1.015 120 A HN 0.322 nan 8.150 nan 0.000 0.498 121 P HA 0.087 nan 4.420 nan 0.000 0.265 121 P C -0.102 177.213 177.300 0.025 0.000 1.187 121 P CA 0.122 63.228 63.100 0.009 0.000 0.766 121 P CB 0.399 32.094 31.700 -0.009 0.000 0.820 122 E N 1.652 121.874 120.200 0.036 0.000 2.409 122 E HA -0.029 4.321 4.350 -0.000 0.000 0.257 122 E C 0.909 177.565 176.600 0.093 0.000 1.150 122 E CA -0.149 56.295 56.400 0.074 0.000 0.942 122 E CB 0.061 29.805 29.700 0.074 0.000 0.979 122 E HN 0.424 nan 8.360 nan 0.000 0.447 123 F N 1.822 121.774 119.950 0.003 0.000 2.120 123 F HA -0.270 4.257 4.527 -0.000 0.000 0.300 123 F C 1.941 177.742 175.800 0.000 0.000 1.095 123 F CA 2.031 60.032 58.000 0.002 0.000 1.249 123 F CB -0.134 38.867 39.000 0.002 0.000 0.995 123 F HN 0.289 nan 8.300 nan 0.000 0.480 124 V N -2.158 117.847 119.914 0.151 0.000 2.913 124 V HA -0.182 3.938 4.120 -0.000 0.000 0.260 124 V C 1.496 177.562 176.094 -0.047 0.000 1.098 124 V CA 1.989 64.322 62.300 0.056 0.000 1.121 124 V CB -0.973 30.909 31.823 0.098 0.000 0.714 124 V HN 0.470 nan 8.190 nan 0.000 0.487 125 E N -0.097 120.070 120.200 -0.055 0.000 2.474 125 E HA 0.183 4.533 4.350 -0.000 0.000 0.194 125 E C 0.470 177.011 176.600 -0.098 0.000 1.041 125 E CA -0.249 56.116 56.400 -0.058 0.000 0.874 125 E CB 0.027 29.709 29.700 -0.029 0.000 0.914 125 E HN 0.467 nan 8.360 nan 0.000 0.498 126 M N 1.109 120.604 119.600 -0.176 0.000 2.239 126 M HA 0.065 4.545 4.480 -0.000 0.000 0.348 126 M C 0.340 176.542 176.300 -0.163 0.000 1.239 126 M CA 0.144 55.327 55.300 -0.195 0.000 1.114 126 M CB 0.850 33.257 32.600 -0.323 0.000 1.641 126 M HN -0.198 nan 8.290 nan 0.000 0.453 127 S N 2.388 118.020 115.700 -0.113 0.000 2.422 127 S HA 0.362 4.832 4.470 -0.000 0.000 0.298 127 S C 1.058 175.607 174.600 -0.085 0.000 1.118 127 S CA -0.894 57.254 58.200 -0.086 0.000 1.083 127 S CB 0.334 63.499 63.200 -0.058 0.000 0.971 127 S HN 0.541 nan 8.310 nan 0.000 0.478 128 V N 2.144 122.007 119.914 -0.085 0.000 3.444 128 V HA 0.197 4.317 4.120 -0.000 0.000 0.271 128 V C 0.699 176.765 176.094 -0.046 0.000 1.188 128 V CA 0.364 62.622 62.300 -0.069 0.000 1.168 128 V CB -0.842 30.943 31.823 -0.064 0.000 0.810 128 V HN 0.724 nan 8.190 nan 0.000 0.500 129 E N 2.295 122.471 120.200 -0.040 0.000 2.328 129 E HA 0.111 4.461 4.350 -0.000 0.000 0.265 129 E C -0.135 176.450 176.600 -0.025 0.000 1.057 129 E CA 0.223 56.606 56.400 -0.027 0.000 0.916 129 E CB 0.554 30.241 29.700 -0.021 0.000 0.993 129 E HN 0.550 nan 8.360 nan 0.000 0.446 130 Q N 2.986 122.774 119.800 -0.021 0.000 2.566 130 Q HA 0.137 4.477 4.340 -0.000 0.000 0.221 130 Q C -0.485 175.509 176.000 -0.009 0.000 1.195 130 Q CA 0.073 55.865 55.803 -0.019 0.000 0.967 130 Q CB 0.446 29.170 28.738 -0.023 0.000 1.337 130 Q HN 0.419 nan 8.270 nan 0.000 0.553 131 E N 1.816 122.014 120.200 -0.003 0.000 2.183 131 E HA 0.377 4.727 4.350 -0.000 0.000 0.271 131 E C -0.347 176.267 176.600 0.023 0.000 0.919 131 E CA -0.654 55.754 56.400 0.013 0.000 0.781 131 E CB 2.476 32.186 29.700 0.016 0.000 1.140 131 E HN 0.446 nan 8.360 nan 0.000 0.402 132 I N 3.316 123.911 120.570 0.041 0.000 2.529 132 I HA 0.060 4.230 4.170 -0.000 0.000 0.284 132 I C -0.827 175.333 176.117 0.073 0.000 1.082 132 I CA -0.491 60.846 61.300 0.062 0.000 1.406 132 I CB 0.459 38.508 38.000 0.081 0.000 1.405 132 I HN 0.400 nan 8.210 nan 0.000 0.548 133 L N 9.100 130.361 121.223 0.063 0.000 2.270 133 L HA 0.314 4.654 4.340 -0.000 0.000 0.286 133 L C -0.587 176.313 176.870 0.051 0.000 1.059 133 L CA -0.262 54.582 54.840 0.006 0.000 0.839 133 L CB 0.938 42.965 42.059 -0.054 0.000 1.221 133 L HN 0.360 nan 8.230 nan 0.000 0.431 134 V N 4.414 124.430 119.914 0.171 0.000 2.485 134 V HA 0.086 4.206 4.120 -0.000 0.000 0.287 134 V C 1.507 177.698 176.094 0.162 0.000 1.022 134 V CA 0.712 63.117 62.300 0.175 0.000 1.067 134 V CB 0.612 32.544 31.823 0.182 0.000 0.967 134 V HN 0.940 nan 8.190 nan 0.000 0.479 135 T N 0.263 114.820 114.554 0.006 0.000 3.037 135 T HA 0.234 4.584 4.350 -0.000 0.000 0.251 135 T C 1.494 176.181 174.700 -0.022 0.000 1.079 135 T CA 0.686 62.757 62.100 -0.048 0.000 1.067 135 T CB 0.320 69.056 68.868 -0.219 0.000 0.948 135 T HN 1.510 nan 8.240 nan 0.000 0.496 136 G N 1.570 110.370 108.800 -0.001 0.000 2.155 136 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.257 136 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.257 136 G C -0.017 174.895 174.900 0.020 0.000 0.983 136 G CA 0.285 45.389 45.100 0.007 0.000 0.676 136 G HN 0.673 nan 8.290 nan 0.000 0.528 137 I N 0.347 120.922 120.570 0.008 0.000 2.330 137 I HA 0.272 4.442 4.170 -0.000 0.000 0.289 137 I C 1.533 177.674 176.117 0.039 0.000 1.001 137 I CA -0.838 60.508 61.300 0.076 0.000 1.193 137 I CB 1.405 39.459 38.000 0.090 0.000 1.345 137 I HN -0.027 nan 8.210 nan 0.000 0.461 138 K N 3.655 124.085 120.400 0.049 0.000 2.020 138 K HA -0.194 4.126 4.320 -0.000 0.000 0.212 138 K C 1.865 178.462 176.600 -0.006 0.000 1.050 138 K CA 1.904 58.214 56.287 0.039 0.000 0.929 138 K CB -0.186 32.342 32.500 0.047 0.000 0.714 138 K HN 0.666 nan 8.250 nan 0.000 0.443 139 V N -0.282 119.632 119.914 0.001 0.000 2.282 139 V HA -0.248 3.872 4.120 -0.000 0.000 0.249 139 V C 2.268 178.341 176.094 -0.035 0.000 1.057 139 V CA 1.803 64.081 62.300 -0.037 0.000 1.032 139 V CB -1.087 30.743 31.823 0.013 0.000 0.645 139 V HN 0.033 nan 8.190 nan 0.000 0.447 140 V N 0.932 120.829 119.914 -0.028 0.000 2.237 140 V HA -0.227 3.893 4.120 -0.000 0.000 0.245 140 V C 2.549 178.608 176.094 -0.059 0.000 1.046 140 V CA 2.482 64.734 62.300 -0.079 0.000 1.007 140 V CB -0.937 30.737 31.823 -0.248 0.000 0.638 140 V HN 0.485 nan 8.190 nan 0.000 0.445 141 D N -0.139 120.231 120.400 -0.050 0.000 2.123 141 D HA -0.157 4.483 4.640 -0.000 0.000 0.196 141 D C 1.919 178.301 176.300 0.137 0.000 0.992 141 D CA 1.328 55.345 54.000 0.029 0.000 0.833 141 D CB -0.281 40.529 40.800 0.017 0.000 0.954 141 D HN 0.341 nan 8.370 nan 0.000 0.455 142 L N -0.105 121.141 121.223 0.038 0.000 2.034 142 L HA -0.004 4.336 4.340 -0.000 0.000 0.203 142 L C 2.075 179.029 176.870 0.139 0.000 1.074 142 L CA 1.426 56.293 54.840 0.045 0.000 0.748 142 L CB -0.256 41.677 42.059 -0.209 0.000 0.905 142 L HN -0.020 nan 8.230 nan 0.000 0.439 143 L N -1.103 120.122 121.223 0.003 0.000 2.357 143 L HA 0.285 4.625 4.340 -0.000 0.000 0.211 143 L C 0.814 177.697 176.870 0.022 0.000 1.075 143 L CA 0.540 55.371 54.840 -0.015 0.000 0.830 143 L CB -0.130 41.882 42.059 -0.078 0.000 0.996 143 L HN 0.282 nan 8.230 nan 0.000 0.467 144 A N 0.489 123.336 122.820 0.046 0.000 3.410 144 A HA 0.423 4.743 4.320 -0.000 0.000 0.276 144 A C -2.612 175.051 177.584 0.132 0.000 0.995 144 A CA -0.885 51.200 52.037 0.080 0.000 0.934 144 A CB -0.215 18.838 19.000 0.089 0.000 1.191 144 A HN -0.138 nan 8.150 nan 0.000 0.511 145 P HA 0.140 nan 4.420 nan 0.000 0.271 145 P C -0.863 176.591 177.300 0.257 0.000 1.218 145 P CA 0.300 63.472 63.100 0.120 0.000 0.780 145 P CB 0.540 32.292 31.700 0.088 0.000 0.901 146 Y N 0.631 120.941 120.300 0.017 0.000 2.359 146 Y HA 0.373 4.923 4.550 -0.000 0.000 0.330 146 Y C 1.098 176.986 175.900 -0.020 0.000 1.143 146 Y CA -1.352 56.743 58.100 -0.009 0.000 1.318 146 Y CB 0.040 38.484 38.460 -0.026 0.000 1.234 146 Y HN 0.381 nan 8.280 nan 0.000 0.522 147 A N 4.433 127.316 122.820 0.105 0.000 2.292 147 A HA 0.406 4.726 4.320 -0.000 0.000 0.319 147 A C -0.019 177.566 177.584 0.002 0.000 1.206 147 A CA -1.036 51.024 52.037 0.037 0.000 0.835 147 A CB 0.281 19.286 19.000 0.008 0.000 1.164 147 A HN 0.752 nan 8.150 nan 0.000 0.505 148 K N 1.020 121.416 120.400 -0.006 0.000 2.511 148 K HA 0.253 4.573 4.320 -0.000 0.000 0.280 148 K C 1.234 177.809 176.600 -0.042 0.000 1.008 148 K CA 1.368 57.635 56.287 -0.034 0.000 1.050 148 K CB 0.175 32.659 32.500 -0.028 0.000 0.889 148 K HN 1.477 nan 8.250 nan 0.000 0.484 149 G N 2.101 110.866 108.800 -0.058 0.000 2.168 149 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.263 149 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.263 149 G C 0.466 175.329 174.900 -0.062 0.000 0.977 149 G CA 0.099 45.164 45.100 -0.058 0.000 0.659 149 G HN 0.859 nan 8.290 nan 0.000 0.533 150 G N -0.868 107.888 108.800 -0.073 0.000 2.522 150 G HA2 0.641 4.601 3.960 -0.000 0.000 0.304 150 G HA3 0.641 4.601 3.960 -0.000 0.000 0.304 150 G C -0.427 174.400 174.900 -0.121 0.000 1.210 150 G CA -0.557 44.497 45.100 -0.078 0.000 0.960 150 G HN 0.332 nan 8.290 nan 0.000 0.497 151 K N -0.714 119.622 120.400 -0.107 0.000 2.292 151 K HA 0.585 4.905 4.320 -0.000 0.000 0.257 151 K C -0.971 175.534 176.600 -0.159 0.000 0.940 151 K CA -0.315 55.892 56.287 -0.133 0.000 0.811 151 K CB 2.115 34.577 32.500 -0.064 0.000 1.120 151 K HN 0.242 nan 8.250 nan 0.000 0.428 152 I N 1.492 121.916 120.570 -0.243 0.000 2.389 152 I HA 0.337 4.506 4.170 -0.000 0.000 0.288 152 I C 0.433 176.473 176.117 -0.129 0.000 0.999 152 I CA -0.448 60.700 61.300 -0.253 0.000 1.129 152 I CB 2.095 39.727 38.000 -0.613 0.000 1.288 152 I HN 0.631 nan 8.210 nan 0.000 0.444 153 G N 6.269 115.059 108.800 -0.016 0.000 2.360 153 G HA2 0.435 4.395 3.960 -0.000 0.000 0.279 153 G HA3 0.435 4.395 3.960 -0.000 0.000 0.279 153 G C -0.772 174.107 174.900 -0.036 0.000 1.189 153 G CA -0.291 44.780 45.100 -0.048 0.000 0.941 153 G HN 0.470 nan 8.290 nan 0.000 0.445 154 L N 3.910 125.050 121.223 -0.138 0.000 2.255 154 L HA 0.634 4.974 4.340 -0.000 0.000 0.289 154 L C -1.036 175.759 176.870 -0.125 0.000 1.046 154 L CA -0.910 53.934 54.840 0.007 0.000 0.816 154 L CB 0.108 42.219 42.059 0.087 0.000 1.197 154 L HN 0.335 nan 8.230 nan 0.000 0.427 155 F N 4.157 124.168 119.950 0.102 0.000 2.422 155 F HA 0.823 5.350 4.527 -0.000 0.000 0.333 155 F C 1.097 176.953 175.800 0.094 0.000 1.095 155 F CA 0.444 58.498 58.000 0.089 0.000 1.038 155 F CB 1.539 40.574 39.000 0.057 0.000 1.156 155 F HN 0.772 nan 8.300 nan 0.000 0.483 156 G N 0.913 109.862 108.800 0.248 0.000 2.466 156 G HA2 0.391 4.351 3.960 -0.000 0.000 0.316 156 G HA3 0.391 4.351 3.960 -0.000 0.000 0.316 156 G C 0.048 175.041 174.900 0.155 0.000 1.270 156 G CA -0.163 45.047 45.100 0.183 0.000 0.982 156 G HN 1.431 nan 8.290 nan 0.000 0.506 157 G N -1.359 107.524 108.800 0.139 0.000 4.328 157 G HA2 0.606 4.566 3.960 -0.000 0.000 0.133 157 G HA3 0.606 4.566 3.960 -0.000 0.000 0.133 157 G C 0.629 175.593 174.900 0.107 0.000 1.397 157 G CA 1.513 46.688 45.100 0.126 0.000 1.001 157 G HN 2.395 nan 8.290 nan 0.000 0.325 158 A N 0.633 123.512 122.820 0.098 0.000 2.362 158 A HA 0.585 4.905 4.320 -0.000 0.000 0.276 158 A C 1.632 179.268 177.584 0.086 0.000 1.153 158 A CA 1.005 53.091 52.037 0.081 0.000 0.813 158 A CB -0.031 19.013 19.000 0.072 0.000 1.081 158 A HN 2.436 nan 8.150 nan 0.000 0.507 159 G N 0.815 109.664 108.800 0.080 0.000 2.196 159 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.268 159 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.268 159 G C 0.727 175.710 174.900 0.138 0.000 0.975 159 G CA 1.237 46.393 45.100 0.094 0.000 0.648 159 G HN 2.185 nan 8.290 nan 0.000 0.538 160 V N -2.824 117.175 119.914 0.141 0.000 3.271 160 V HA 0.668 4.788 4.120 -0.000 0.000 0.327 160 V C 1.601 177.820 176.094 0.209 0.000 1.389 160 V CA 0.660 63.063 62.300 0.172 0.000 1.156 160 V CB -0.093 31.810 31.823 0.133 0.000 1.103 160 V HN 2.116 nan 8.190 nan 0.000 0.453 161 G N 1.494 110.406 108.800 0.187 0.000 2.246 161 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.273 161 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.273 161 G C 0.851 175.853 174.900 0.170 0.000 1.055 161 G CA 0.906 46.111 45.100 0.174 0.000 0.851 161 G HN 0.684 nan 8.290 nan 0.000 0.500 162 K N -0.430 120.055 120.400 0.140 0.000 2.002 162 K HA -0.135 4.185 4.320 -0.000 0.000 0.209 162 K C 2.711 179.373 176.600 0.103 0.000 1.048 162 K CA 2.202 58.574 56.287 0.140 0.000 0.930 162 K CB -0.438 32.142 32.500 0.132 0.000 0.714 162 K HN 0.507 nan 8.250 nan 0.000 0.438 163 T N -0.287 114.300 114.554 0.054 0.000 2.788 163 T HA -0.076 4.274 4.350 -0.000 0.000 0.268 163 T C 1.962 176.652 174.700 -0.015 0.000 1.044 163 T CA 1.477 63.569 62.100 -0.012 0.000 1.139 163 T CB -0.205 68.634 68.868 -0.049 0.000 0.867 163 T HN 0.070 nan 8.240 nan 0.000 0.454 164 V N 1.470 121.406 119.914 0.038 0.000 2.343 164 V HA -0.056 4.064 4.120 -0.000 0.000 0.247 164 V C 2.642 178.807 176.094 0.119 0.000 1.051 164 V CA 1.795 64.145 62.300 0.083 0.000 1.036 164 V CB -0.827 31.076 31.823 0.134 0.000 0.654 164 V HN 0.495 nan 8.190 nan 0.000 0.451 165 L N -0.095 121.241 121.223 0.188 0.000 2.042 165 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 165 L C 2.148 179.050 176.870 0.054 0.000 1.076 165 L CA 1.889 56.834 54.840 0.173 0.000 0.749 165 L CB -0.488 41.733 42.059 0.271 0.000 0.893 165 L HN 0.225 nan 8.230 nan 0.000 0.432 166 I N -1.128 119.458 120.570 0.026 0.000 2.179 166 I HA -0.357 3.813 4.170 -0.000 0.000 0.242 166 I C 2.462 178.460 176.117 -0.198 0.000 1.088 166 I CA 1.847 63.062 61.300 -0.142 0.000 1.357 166 I CB -0.276 37.518 38.000 -0.343 0.000 1.051 166 I HN 0.304 nan 8.210 nan 0.000 0.409 167 M N -0.298 119.206 119.600 -0.159 0.000 2.175 167 M HA -0.211 4.269 4.480 -0.000 0.000 0.264 167 M C 2.215 178.451 176.300 -0.107 0.000 1.063 167 M CA 1.574 56.796 55.300 -0.129 0.000 1.119 167 M CB -0.408 32.131 32.600 -0.101 0.000 1.377 167 M HN 0.120 nan 8.290 nan 0.000 0.415 168 E N 1.025 121.121 120.200 -0.173 0.000 2.107 168 E HA -0.086 4.264 4.350 -0.000 0.000 0.191 168 E C 1.805 178.274 176.600 -0.218 0.000 0.982 168 E CA 1.017 57.227 56.400 -0.317 0.000 0.809 168 E CB -0.204 28.973 29.700 -0.871 0.000 0.756 168 E HN 0.436 nan 8.360 nan 0.000 0.459 169 L N 0.003 121.172 121.223 -0.091 0.000 2.017 169 L HA -0.170 4.169 4.340 -0.000 0.000 0.208 169 L C 2.416 179.365 176.870 0.130 0.000 1.073 169 L CA 1.190 56.076 54.840 0.076 0.000 0.745 169 L CB -0.405 41.849 42.059 0.324 0.000 0.894 169 L HN 0.223 nan 8.230 nan 0.000 0.432 170 I N -0.047 120.622 120.570 0.165 0.000 2.118 170 I HA -0.382 3.788 4.170 -0.000 0.000 0.241 170 I C 2.286 178.438 176.117 0.059 0.000 1.070 170 I CA 1.984 63.373 61.300 0.149 0.000 1.327 170 I CB -0.428 37.627 38.000 0.090 0.000 1.034 170 I HN 0.362 nan 8.210 nan 0.000 0.405 171 N N 0.721 119.424 118.700 0.004 0.000 2.069 171 N HA -0.206 4.534 4.740 -0.000 0.000 0.191 171 N C 1.654 177.155 175.510 -0.015 0.000 1.031 171 N CA 1.659 54.700 53.050 -0.016 0.000 0.852 171 N CB 0.012 38.472 38.487 -0.044 0.000 1.018 171 N HN 0.210 nan 8.380 nan 0.000 0.423 172 N N -0.288 118.395 118.700 -0.028 0.000 2.142 172 N HA -0.081 4.659 4.740 -0.000 0.000 0.186 172 N C 1.645 177.183 175.510 0.047 0.000 1.023 172 N CA 0.728 53.770 53.050 -0.013 0.000 0.852 172 N CB -0.512 37.948 38.487 -0.045 0.000 0.998 172 N HN 0.080 nan 8.380 nan 0.000 0.424 173 V N 1.259 121.209 119.914 0.060 0.000 2.343 173 V HA -0.166 3.954 4.120 -0.000 0.000 0.247 173 V C 2.303 178.433 176.094 0.060 0.000 1.051 173 V CA 1.764 64.121 62.300 0.095 0.000 1.036 173 V CB -0.928 30.900 31.823 0.008 0.000 0.654 173 V HN 0.303 nan 8.190 nan 0.000 0.451 174 A N -0.417 122.397 122.820 -0.010 0.000 1.877 174 A HA -0.256 4.064 4.320 -0.000 0.000 0.216 174 A C 2.330 179.873 177.584 -0.070 0.000 1.186 174 A CA 2.153 54.135 52.037 -0.092 0.000 0.620 174 A CB -0.466 18.488 19.000 -0.077 0.000 0.822 174 A HN 0.496 nan 8.150 nan 0.000 0.443 175 K N -0.803 119.578 120.400 -0.031 0.000 2.097 175 K HA -0.026 4.294 4.320 -0.000 0.000 0.205 175 K C 1.872 178.442 176.600 -0.050 0.000 1.050 175 K CA 1.197 57.462 56.287 -0.036 0.000 0.938 175 K CB -0.186 32.299 32.500 -0.025 0.000 0.718 175 K HN 0.420 nan 8.250 nan 0.000 0.442 176 A N -0.944 121.852 122.820 -0.040 0.000 2.085 176 A HA 0.054 4.374 4.320 -0.000 0.000 0.208 176 A C 1.223 178.634 177.584 -0.289 0.000 1.191 176 A CA 0.351 52.301 52.037 -0.145 0.000 0.799 176 A CB -0.039 18.871 19.000 -0.149 0.000 0.877 176 A HN 0.311 nan 8.150 nan 0.000 0.473 177 H N -1.411 117.618 119.070 -0.069 0.000 2.986 177 H HA 0.228 4.784 4.556 -0.000 0.000 0.267 177 H C 1.356 176.617 175.328 -0.111 0.000 1.072 177 H CA 0.405 56.409 56.048 -0.074 0.000 1.202 177 H CB 0.597 30.322 29.762 -0.062 0.000 1.535 177 H HN 0.577 nan 8.280 nan 0.000 0.522 178 G N 1.647 110.414 108.800 -0.056 0.000 2.273 178 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.280 178 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.280 178 G C 0.500 175.216 174.900 -0.307 0.000 1.047 178 G CA 0.400 45.390 45.100 -0.183 0.000 0.869 178 G HN 0.637 nan 8.290 nan 0.000 0.502 179 G N -1.158 107.483 108.800 -0.265 0.000 2.415 179 G HA2 0.650 4.610 3.960 -0.000 0.000 0.327 179 G HA3 0.650 4.610 3.960 -0.000 0.000 0.327 179 G C -0.341 174.336 174.900 -0.371 0.000 1.182 179 G CA -0.957 43.969 45.100 -0.289 0.000 0.924 179 G HN 0.259 nan 8.290 nan 0.000 0.470 180 Y N 0.430 120.603 120.300 -0.211 0.000 2.340 180 Y HA 0.552 5.102 4.550 -0.000 0.000 0.327 180 Y C 1.080 176.882 175.900 -0.163 0.000 1.321 180 Y CA -0.223 57.706 58.100 -0.285 0.000 1.433 180 Y CB 1.808 39.857 38.460 -0.685 0.000 1.373 180 Y HN 0.432 nan 8.280 nan 0.000 0.538 181 S N 0.154 115.930 115.700 0.128 0.000 2.600 181 S HA 0.707 5.177 4.470 -0.000 0.000 0.300 181 S C -1.331 173.394 174.600 0.207 0.000 1.087 181 S CA -0.822 57.492 58.200 0.190 0.000 0.965 181 S CB 1.940 65.339 63.200 0.332 0.000 1.089 181 S HN 0.292 nan 8.310 nan 0.000 0.496 182 V N 2.324 122.395 119.914 0.263 0.000 2.588 182 V HA 0.488 4.608 4.120 -0.000 0.000 0.304 182 V C -1.305 175.007 176.094 0.364 0.000 1.042 182 V CA -0.666 61.791 62.300 0.261 0.000 0.877 182 V CB 1.433 33.376 31.823 0.199 0.000 0.996 182 V HN 0.849 nan 8.190 nan 0.000 0.425 183 F N 4.350 124.418 119.950 0.196 0.000 2.388 183 F HA 0.761 5.288 4.527 -0.000 0.000 0.358 183 F C 0.363 176.266 175.800 0.171 0.000 1.122 183 F CA -0.512 57.615 58.000 0.211 0.000 1.056 183 F CB 1.060 40.135 39.000 0.124 0.000 1.155 183 F HN 0.555 nan 8.300 nan 0.000 0.461 184 A N 4.931 127.562 122.820 -0.315 0.000 2.273 184 A HA 0.575 4.895 4.320 -0.000 0.000 0.320 184 A C 0.218 177.581 177.584 -0.368 0.000 1.358 184 A CA -0.325 51.600 52.037 -0.187 0.000 0.910 184 A CB -0.076 18.850 19.000 -0.122 0.000 1.159 184 A HN 1.010 nan 8.150 nan 0.000 0.526 185 G N 1.860 110.668 108.800 0.013 0.000 2.530 185 G HA2 0.465 4.425 3.960 -0.000 0.000 0.313 185 G HA3 0.465 4.425 3.960 -0.000 0.000 0.313 185 G C -0.356 174.571 174.900 0.044 0.000 0.971 185 G CA -0.104 45.046 45.100 0.085 0.000 1.237 185 G HN 0.616 nan 8.290 nan 0.000 0.446 186 V N 2.667 122.577 119.914 -0.008 0.000 2.348 186 V HA 0.582 4.702 4.120 -0.000 0.000 0.270 186 V C 1.175 177.281 176.094 0.020 0.000 1.037 186 V CA 0.514 62.829 62.300 0.026 0.000 0.872 186 V CB 0.649 32.502 31.823 0.049 0.000 1.002 186 V HN 1.277 nan 8.190 nan 0.000 0.464 187 G N 3.931 112.738 108.800 0.011 0.000 2.289 187 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.280 187 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.280 187 G C -0.090 174.799 174.900 -0.019 0.000 1.089 187 G CA 0.228 45.324 45.100 -0.006 0.000 0.939 187 G HN 0.846 nan 8.290 nan 0.000 0.499 188 E N 0.287 120.462 120.200 -0.042 0.000 2.324 188 E HA 0.402 4.752 4.350 -0.000 0.000 0.271 188 E C 1.132 177.672 176.600 -0.100 0.000 1.028 188 E CA -0.380 55.955 56.400 -0.108 0.000 0.890 188 E CB 0.311 29.843 29.700 -0.280 0.000 1.004 188 E HN 0.504 nan 8.360 nan 0.000 0.431 189 R N 3.506 123.957 120.500 -0.081 0.000 2.401 189 R HA 0.074 4.414 4.340 -0.000 0.000 0.299 189 R C 0.999 177.248 176.300 -0.086 0.000 1.064 189 R CA 0.201 56.264 56.100 -0.061 0.000 1.000 189 R CB 0.428 30.707 30.300 -0.036 0.000 0.973 189 R HN 0.644 nan 8.270 nan 0.000 0.438 190 T N 2.205 116.726 114.554 -0.056 0.000 2.720 190 T HA -0.214 4.136 4.350 -0.000 0.000 0.268 190 T C 1.765 176.455 174.700 -0.017 0.000 1.037 190 T CA 1.358 63.435 62.100 -0.039 0.000 1.144 190 T CB -0.135 68.731 68.868 -0.003 0.000 0.864 190 T HN 0.556 nan 8.240 nan 0.000 0.444 191 R N 1.074 121.569 120.500 -0.008 0.000 2.081 191 R HA -0.117 4.223 4.340 -0.000 0.000 0.235 191 R C 2.188 178.492 176.300 0.007 0.000 1.131 191 R CA 1.666 57.772 56.100 0.010 0.000 0.960 191 R CB -0.107 30.197 30.300 0.006 0.000 0.856 191 R HN 0.501 nan 8.270 nan 0.000 0.436 192 E N -1.066 119.120 120.200 -0.024 0.000 2.158 192 E HA -0.059 4.291 4.350 -0.000 0.000 0.191 192 E C 1.867 178.427 176.600 -0.067 0.000 0.982 192 E CA 0.779 57.159 56.400 -0.034 0.000 0.823 192 E CB -0.066 29.613 29.700 -0.035 0.000 0.766 192 E HN 0.575 nan 8.360 nan 0.000 0.468 193 G N 1.567 110.274 108.800 -0.155 0.000 2.418 193 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.217 193 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.217 193 G C 1.399 176.370 174.900 0.119 0.000 1.158 193 G CA 1.192 46.134 45.100 -0.263 0.000 0.771 193 G HN 0.224 nan 8.290 nan 0.000 0.545 194 N N 0.531 119.312 118.700 0.135 0.000 2.058 194 N HA -0.120 4.620 4.740 -0.000 0.000 0.191 194 N C 1.767 177.464 175.510 0.311 0.000 1.037 194 N CA 1.735 54.941 53.050 0.259 0.000 0.848 194 N CB -0.147 38.470 38.487 0.216 0.000 1.021 194 N HN 0.131 nan 8.380 nan 0.000 0.422 195 D N 0.128 120.629 120.400 0.169 0.000 2.092 195 D HA -0.168 4.472 4.640 -0.000 0.000 0.193 195 D C 1.937 178.291 176.300 0.090 0.000 0.994 195 D CA 0.765 54.836 54.000 0.118 0.000 0.828 195 D CB -0.609 40.214 40.800 0.038 0.000 0.963 195 D HN 0.269 nan 8.370 nan 0.000 0.450 196 L N 0.093 121.342 121.223 0.043 0.000 2.012 196 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 196 L C 2.260 179.139 176.870 0.015 0.000 1.073 196 L CA 1.607 56.428 54.840 -0.032 0.000 0.748 196 L CB -1.013 40.962 42.059 -0.141 0.000 0.891 196 L HN 0.046 nan 8.230 nan 0.000 0.431 197 Y N 0.165 120.427 120.300 -0.063 0.000 2.114 197 Y HA -0.323 4.227 4.550 -0.000 0.000 0.282 197 Y C 2.623 178.398 175.900 -0.209 0.000 1.165 197 Y CA 2.416 60.421 58.100 -0.158 0.000 1.148 197 Y CB -0.753 37.590 38.460 -0.194 0.000 0.972 197 Y HN 0.492 nan 8.280 nan 0.000 0.504 198 H N -0.837 118.175 119.070 -0.097 0.000 2.428 198 H HA -0.032 4.524 4.556 -0.000 0.000 0.296 198 H C 2.075 177.316 175.328 -0.145 0.000 1.062 198 H CA 1.416 57.347 56.048 -0.194 0.000 1.350 198 H CB 0.062 29.764 29.762 -0.099 0.000 1.403 198 H HN 0.447 nan 8.280 nan 0.000 0.533 199 E N 0.108 120.306 120.200 -0.002 0.000 2.106 199 E HA -0.133 4.217 4.350 -0.000 0.000 0.192 199 E C 1.816 178.372 176.600 -0.074 0.000 0.984 199 E CA 0.814 57.188 56.400 -0.043 0.000 0.806 199 E CB 0.050 29.717 29.700 -0.054 0.000 0.750 199 E HN 0.469 nan 8.360 nan 0.000 0.458 200 M N 0.100 119.639 119.600 -0.102 0.000 2.175 200 M HA -0.121 4.359 4.480 -0.000 0.000 0.264 200 M C 2.120 178.349 176.300 -0.119 0.000 1.063 200 M CA 1.195 56.430 55.300 -0.109 0.000 1.119 200 M CB -0.061 32.476 32.600 -0.105 0.000 1.377 200 M HN 0.131 nan 8.290 nan 0.000 0.415 201 I N -0.261 120.199 120.570 -0.184 0.000 2.252 201 I HA -0.240 3.930 4.170 -0.000 0.000 0.245 201 I C 2.380 178.440 176.117 -0.095 0.000 1.102 201 I CA 0.991 62.182 61.300 -0.180 0.000 1.385 201 I CB -0.334 37.492 38.000 -0.290 0.000 1.064 201 I HN 0.230 nan 8.210 nan 0.000 0.414 202 E N 0.532 120.691 120.200 -0.069 0.000 2.107 202 E HA -0.148 4.202 4.350 -0.000 0.000 0.191 202 E C 2.364 178.949 176.600 -0.024 0.000 0.982 202 E CA 1.617 57.997 56.400 -0.034 0.000 0.809 202 E CB -0.276 29.413 29.700 -0.019 0.000 0.756 202 E HN 0.504 nan 8.360 nan 0.000 0.459 203 S N -0.830 114.851 115.700 -0.031 0.000 2.453 203 S HA 0.047 4.517 4.470 -0.000 0.000 0.231 203 S C 1.684 176.272 174.600 -0.020 0.000 1.005 203 S CA 1.119 59.308 58.200 -0.018 0.000 0.949 203 S CB 0.110 63.295 63.200 -0.026 0.000 0.774 203 S HN 0.319 nan 8.310 nan 0.000 0.510 204 G N 0.354 109.135 108.800 -0.033 0.000 2.176 204 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.232 204 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.232 204 G C 0.842 175.728 174.900 -0.023 0.000 0.986 204 G CA 0.504 45.588 45.100 -0.027 0.000 0.643 204 G HN 1.398 nan 8.290 nan 0.000 0.522 205 V N -1.568 118.328 119.914 -0.030 0.000 2.809 205 V HA 0.430 4.550 4.120 -0.000 0.000 0.256 205 V C 1.271 177.355 176.094 -0.016 0.000 1.080 205 V CA 1.285 63.574 62.300 -0.017 0.000 1.102 205 V CB -0.241 31.567 31.823 -0.025 0.000 0.705 205 V HN 0.463 nan 8.190 nan 0.000 0.475 206 I N 1.844 122.391 120.570 -0.039 0.000 2.433 206 I HA 0.456 4.626 4.170 -0.000 0.000 0.292 206 I C -0.546 175.541 176.117 -0.051 0.000 1.001 206 I CA -0.268 61.008 61.300 -0.040 0.000 1.119 206 I CB 1.628 39.598 38.000 -0.051 0.000 1.289 206 I HN 0.103 nan 8.210 nan 0.000 0.438 207 N N 6.479 125.159 118.700 -0.032 0.000 2.407 207 N HA 0.385 5.125 4.740 -0.000 0.000 0.277 207 N C 0.157 175.651 175.510 -0.027 0.000 0.995 207 N CA -0.398 52.633 53.050 -0.031 0.000 0.903 207 N CB 2.012 40.490 38.487 -0.016 0.000 1.218 207 N HN 0.583 nan 8.380 nan 0.000 0.487 208 L N 2.636 123.838 121.223 -0.034 0.000 2.509 208 L HA 0.166 4.506 4.340 -0.000 0.000 0.222 208 L C 1.648 178.512 176.870 -0.011 0.000 1.123 208 L CA 0.537 55.365 54.840 -0.020 0.000 0.856 208 L CB 0.173 42.215 42.059 -0.028 0.000 0.985 208 L HN 0.388 nan 8.230 nan 0.000 0.456 209 K N -0.348 120.044 120.400 -0.012 0.000 2.354 209 K HA 0.060 4.380 4.320 -0.000 0.000 0.194 209 K C -0.193 176.405 176.600 -0.005 0.000 1.045 209 K CA 0.261 56.544 56.287 -0.007 0.000 1.026 209 K CB 0.486 32.982 32.500 -0.007 0.000 0.866 209 K HN 0.341 nan 8.250 nan 0.000 0.530 210 D N -1.815 118.582 120.400 -0.005 0.000 2.812 210 D HA 0.194 4.834 4.640 -0.000 0.000 0.318 210 D C -0.605 175.692 176.300 -0.004 0.000 1.234 210 D CA -0.819 53.180 54.000 -0.002 0.000 0.989 210 D CB 0.516 41.318 40.800 0.002 0.000 1.442 210 D HN -0.166 nan 8.370 nan 0.000 0.537 211 A N -0.671 122.149 122.820 -0.000 0.000 2.476 211 A HA 0.304 4.624 4.320 -0.000 0.000 0.263 211 A C 1.075 178.661 177.584 0.002 0.000 1.342 211 A CA 0.615 52.649 52.037 -0.005 0.000 0.926 211 A CB -1.144 17.855 19.000 -0.000 0.000 1.019 211 A HN 0.584 nan 8.150 nan 0.000 0.515 212 T N -3.051 111.509 114.554 0.011 0.000 3.163 212 T HA 0.202 4.552 4.350 -0.000 0.000 0.252 212 T C 0.572 175.295 174.700 0.037 0.000 1.056 212 T CA 0.114 62.235 62.100 0.036 0.000 0.947 212 T CB -0.347 68.541 68.868 0.033 0.000 1.016 212 T HN 0.139 nan 8.240 nan 0.000 0.554 213 S N 1.691 117.391 115.700 -0.001 0.000 2.568 213 S HA 0.217 4.687 4.470 -0.000 0.000 0.282 213 S C 0.946 175.551 174.600 0.007 0.000 1.338 213 S CA -0.385 57.811 58.200 -0.007 0.000 1.045 213 S CB 1.001 64.182 63.200 -0.031 0.000 0.873 213 S HN 0.470 nan 8.310 nan 0.000 0.516 214 K N 0.547 120.981 120.400 0.055 0.000 2.360 214 K HA 0.183 4.503 4.320 -0.000 0.000 0.196 214 K C -0.305 176.362 176.600 0.113 0.000 1.049 214 K CA 0.141 56.526 56.287 0.163 0.000 1.049 214 K CB 0.589 33.177 32.500 0.148 0.000 0.881 214 K HN 0.520 nan 8.250 nan 0.000 0.542 215 V N -0.972 118.968 119.914 0.044 0.000 2.735 215 V HA 0.730 4.850 4.120 -0.000 0.000 0.310 215 V C -0.745 175.371 176.094 0.036 0.000 1.061 215 V CA -1.568 60.772 62.300 0.066 0.000 0.913 215 V CB 1.624 33.499 31.823 0.086 0.000 1.005 215 V HN -0.032 nan 8.190 nan 0.000 0.428 216 A N 4.735 127.600 122.820 0.075 0.000 2.274 216 A HA 0.833 5.153 4.320 -0.000 0.000 0.309 216 A C -0.469 177.159 177.584 0.072 0.000 1.226 216 A CA -0.580 51.492 52.037 0.059 0.000 0.853 216 A CB 0.499 19.562 19.000 0.106 0.000 1.146 216 A HN 0.906 nan 8.150 nan 0.000 0.518 217 L N 2.856 124.064 121.223 -0.024 0.000 2.307 217 L HA 0.542 4.882 4.340 -0.000 0.000 0.282 217 L C -0.805 175.991 176.870 -0.123 0.000 1.051 217 L CA -0.737 54.058 54.840 -0.075 0.000 0.804 217 L CB 1.614 43.459 42.059 -0.356 0.000 1.197 217 L HN 0.413 nan 8.230 nan 0.000 0.431 218 V N 3.648 123.576 119.914 0.024 0.000 2.409 218 V HA 0.367 4.487 4.120 -0.000 0.000 0.290 218 V C -0.781 175.461 176.094 0.246 0.000 1.017 218 V CA -0.538 61.789 62.300 0.045 0.000 0.841 218 V CB 1.286 33.143 31.823 0.056 0.000 1.003 218 V HN 0.494 nan 8.190 nan 0.000 0.426 219 Y N 2.127 122.458 120.300 0.051 0.000 2.335 219 Y HA 0.651 5.201 4.550 -0.000 0.000 0.338 219 Y C 0.847 176.766 175.900 0.031 0.000 0.977 219 Y CA -1.009 57.125 58.100 0.057 0.000 1.114 219 Y CB 2.455 40.936 38.460 0.036 0.000 1.182 219 Y HN 0.694 nan 8.280 nan 0.000 0.463 220 G N 4.407 113.314 108.800 0.178 0.000 2.788 220 G HA2 0.349 4.309 3.960 -0.000 0.000 0.327 220 G HA3 0.349 4.309 3.960 -0.000 0.000 0.327 220 G C -0.926 174.003 174.900 0.048 0.000 1.249 220 G CA -0.478 44.676 45.100 0.091 0.000 1.063 220 G HN 0.608 nan 8.290 nan 0.000 0.497 221 Q N 1.545 121.369 119.800 0.040 0.000 2.382 221 Q HA 0.263 4.603 4.340 -0.000 0.000 0.229 221 Q C 1.449 177.446 176.000 -0.004 0.000 1.006 221 Q CA -0.472 55.331 55.803 0.000 0.000 0.916 221 Q CB 1.647 30.389 28.738 0.006 0.000 1.235 221 Q HN 0.524 nan 8.270 nan 0.000 0.512 222 M N 1.141 120.731 119.600 -0.017 0.000 2.279 222 M HA -0.173 4.307 4.480 -0.000 0.000 0.264 222 M C 1.334 177.627 176.300 -0.012 0.000 1.062 222 M CA 1.597 56.887 55.300 -0.016 0.000 1.099 222 M CB -0.309 32.278 32.600 -0.021 0.000 1.394 222 M HN 0.695 nan 8.290 nan 0.000 0.426 223 N N -0.381 118.315 118.700 -0.006 0.000 2.461 223 N HA 0.001 4.741 4.740 -0.000 0.000 0.188 223 N C -0.320 175.190 175.510 -0.000 0.000 1.134 223 N CA -0.118 52.930 53.050 -0.003 0.000 0.878 223 N CB 0.116 38.603 38.487 -0.000 0.000 0.972 223 N HN 0.351 nan 8.380 nan 0.000 0.456 224 E N 1.632 121.833 120.200 0.002 0.000 2.319 224 E HA 0.234 4.584 4.350 -0.000 0.000 0.268 224 E C -2.193 174.405 176.600 -0.003 0.000 1.050 224 E CA -2.270 54.132 56.400 0.004 0.000 0.878 224 E CB 0.720 30.428 29.700 0.013 0.000 1.066 224 E HN 0.194 nan 8.360 nan 0.000 0.406 225 P HA 0.007 nan 4.420 nan 0.000 0.271 225 P C -2.248 175.043 177.300 -0.015 0.000 1.233 225 P CA -1.169 61.926 63.100 -0.008 0.000 0.789 225 P CB 0.031 31.730 31.700 -0.003 0.000 0.951 226 P HA -0.200 nan 4.420 nan 0.000 0.216 226 P C 1.709 178.987 177.300 -0.037 0.000 1.154 226 P CA 2.323 65.399 63.100 -0.040 0.000 0.865 226 P CB -0.589 31.085 31.700 -0.044 0.000 0.789 227 G N -0.093 108.695 108.800 -0.020 0.000 2.469 227 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.219 227 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.219 227 G C 1.665 176.567 174.900 0.004 0.000 1.150 227 G CA 1.156 46.252 45.100 -0.006 0.000 0.763 227 G HN 0.361 nan 8.290 nan 0.000 0.561 228 A N 0.713 123.536 122.820 0.006 0.000 1.877 228 A HA 0.013 4.333 4.320 -0.000 0.000 0.216 228 A C 2.451 180.045 177.584 0.016 0.000 1.186 228 A CA 1.693 53.740 52.037 0.016 0.000 0.620 228 A CB -0.396 18.615 19.000 0.018 0.000 0.822 228 A HN 0.346 nan 8.150 nan 0.000 0.443 229 R N -0.558 119.944 120.500 0.002 0.000 2.148 229 R HA 0.001 4.341 4.340 -0.000 0.000 0.227 229 R C 2.288 178.586 176.300 -0.003 0.000 1.103 229 R CA 1.025 57.126 56.100 0.001 0.000 0.983 229 R CB -0.347 29.941 30.300 -0.019 0.000 0.874 229 R HN 0.520 nan 8.270 nan 0.000 0.451 230 A N 0.599 123.396 122.820 -0.039 0.000 1.968 230 A HA -0.050 4.270 4.320 -0.000 0.000 0.217 230 A C 1.747 179.341 177.584 0.017 0.000 1.169 230 A CA 0.943 52.926 52.037 -0.090 0.000 0.638 230 A CB 0.040 18.957 19.000 -0.138 0.000 0.812 230 A HN 0.040 nan 8.150 nan 0.000 0.446 231 R N -1.050 119.471 120.500 0.036 0.000 2.265 231 R HA 0.128 4.468 4.340 -0.000 0.000 0.194 231 R C 1.783 178.104 176.300 0.035 0.000 0.931 231 R CA 0.748 56.871 56.100 0.038 0.000 1.032 231 R CB -1.290 29.026 30.300 0.028 0.000 0.980 231 R HN 0.371 nan 8.270 nan 0.000 0.497 232 V N 1.412 121.358 119.914 0.053 0.000 2.594 232 V HA -0.165 3.955 4.120 -0.000 0.000 0.253 232 V C 2.090 178.204 176.094 0.033 0.000 1.069 232 V CA 1.858 64.184 62.300 0.045 0.000 1.082 232 V CB -0.368 31.490 31.823 0.058 0.000 0.680 232 V HN 0.293 nan 8.190 nan 0.000 0.469 233 A N -0.265 122.590 122.820 0.058 0.000 1.933 233 A HA -0.123 4.197 4.320 -0.000 0.000 0.218 233 A C 2.092 179.645 177.584 -0.053 0.000 1.175 233 A CA 1.909 53.934 52.037 -0.019 0.000 0.628 233 A CB -0.463 18.493 19.000 -0.073 0.000 0.814 233 A HN 0.579 nan 8.150 nan 0.000 0.444 234 L N -0.811 120.394 121.223 -0.030 0.000 2.093 234 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 234 L C 2.697 179.521 176.870 -0.077 0.000 1.085 234 L CA 1.602 56.392 54.840 -0.084 0.000 0.755 234 L CB -1.215 40.743 42.059 -0.168 0.000 0.904 234 L HN 0.323 nan 8.230 nan 0.000 0.435 235 T N 0.134 114.657 114.554 -0.051 0.000 2.674 235 T HA -0.140 4.210 4.350 -0.000 0.000 0.265 235 T C 1.941 176.631 174.700 -0.017 0.000 1.039 235 T CA 1.491 63.573 62.100 -0.030 0.000 1.150 235 T CB -0.667 68.196 68.868 -0.008 0.000 0.864 235 T HN 0.547 nan 8.240 nan 0.000 0.427 236 G N 1.686 110.480 108.800 -0.010 0.000 2.446 236 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.217 236 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.217 236 G C 1.505 176.406 174.900 0.002 0.000 1.168 236 G CA 0.743 45.845 45.100 0.004 0.000 0.771 236 G HN 0.352 nan 8.290 nan 0.000 0.551 237 L N 1.128 122.332 121.223 -0.032 0.000 2.043 237 L HA -0.086 4.254 4.340 -0.000 0.000 0.212 237 L C 2.993 179.857 176.870 -0.009 0.000 1.075 237 L CA 2.519 57.338 54.840 -0.035 0.000 0.752 237 L CB -1.083 40.935 42.059 -0.069 0.000 0.891 237 L HN 0.237 nan 8.230 nan 0.000 0.432 238 T N -1.611 112.932 114.554 -0.017 0.000 2.821 238 T HA -0.116 4.234 4.350 -0.000 0.000 0.267 238 T C 2.007 176.704 174.700 -0.005 0.000 1.046 238 T CA 1.340 63.434 62.100 -0.011 0.000 1.139 238 T CB -0.270 68.584 68.868 -0.023 0.000 0.871 238 T HN 0.179 nan 8.240 nan 0.000 0.454 239 V N 1.762 121.675 119.914 -0.003 0.000 2.343 239 V HA -0.154 3.966 4.120 -0.000 0.000 0.247 239 V C 2.890 179.035 176.094 0.085 0.000 1.051 239 V CA 1.681 63.976 62.300 -0.008 0.000 1.036 239 V CB -1.170 30.673 31.823 0.033 0.000 0.654 239 V HN 0.522 nan 8.190 nan 0.000 0.451 240 A N -0.387 122.523 122.820 0.149 0.000 1.898 240 A HA -0.225 4.095 4.320 -0.000 0.000 0.216 240 A C 2.160 179.847 177.584 0.171 0.000 1.181 240 A CA 1.724 53.901 52.037 0.233 0.000 0.620 240 A CB -0.470 18.608 19.000 0.130 0.000 0.819 240 A HN 0.607 nan 8.150 nan 0.000 0.442 241 E N -1.652 118.594 120.200 0.076 0.000 2.153 241 E HA -0.220 4.130 4.350 -0.000 0.000 0.194 241 E C 1.734 178.343 176.600 0.014 0.000 0.988 241 E CA 1.347 57.769 56.400 0.037 0.000 0.811 241 E CB -0.301 29.408 29.700 0.015 0.000 0.746 241 E HN 0.826 nan 8.360 nan 0.000 0.466 242 Y N 0.257 120.474 120.300 -0.139 0.000 2.145 242 Y HA -0.247 4.303 4.550 -0.000 0.000 0.286 242 Y C 1.687 177.464 175.900 -0.205 0.000 1.145 242 Y CA 1.651 59.602 58.100 -0.248 0.000 1.148 242 Y CB -0.302 37.882 38.460 -0.459 0.000 0.981 242 Y HN -0.040 nan 8.280 nan 0.000 0.507 243 F N -0.132 119.863 119.950 0.076 0.000 2.234 243 F HA -0.083 4.444 4.527 -0.000 0.000 0.299 243 F C 2.723 178.488 175.800 -0.059 0.000 1.087 243 F CA 1.363 59.379 58.000 0.025 0.000 1.340 243 F CB -0.338 38.775 39.000 0.188 0.000 1.031 243 F HN -0.059 nan 8.300 nan 0.000 0.500 244 R N 0.692 121.260 120.500 0.114 0.000 2.055 244 R HA -0.120 4.220 4.340 -0.000 0.000 0.228 244 R C 1.402 177.676 176.300 -0.042 0.000 1.143 244 R CA 1.936 58.056 56.100 0.033 0.000 0.945 244 R CB -0.287 30.029 30.300 0.027 0.000 0.841 244 R HN 0.089 nan 8.270 nan 0.000 0.429 245 D N -0.081 120.269 120.400 -0.083 0.000 2.347 245 D HA -0.053 4.587 4.640 -0.000 0.000 0.213 245 D C 1.471 177.676 176.300 -0.158 0.000 0.985 245 D CA 0.702 54.644 54.000 -0.096 0.000 0.879 245 D CB 0.403 41.162 40.800 -0.067 0.000 0.919 245 D HN 0.332 nan 8.370 nan 0.000 0.526 246 Q N -0.259 119.361 119.800 -0.299 0.000 2.369 246 Q HA 0.135 4.475 4.340 -0.000 0.000 0.254 246 Q C 0.847 176.675 176.000 -0.287 0.000 0.858 246 Q CA 0.355 55.931 55.803 -0.379 0.000 0.961 246 Q CB 0.871 29.142 28.738 -0.779 0.000 1.119 246 Q HN 0.380 nan 8.270 nan 0.000 0.538 247 E N 0.043 120.101 120.200 -0.237 0.000 2.630 247 E HA 0.223 4.573 4.350 -0.000 0.000 0.218 247 E C 0.278 176.876 176.600 -0.004 0.000 0.977 247 E CA 0.142 56.502 56.400 -0.068 0.000 1.038 247 E CB 1.136 30.866 29.700 0.050 0.000 1.051 247 E HN 0.354 nan 8.360 nan 0.000 0.487 248 G N 2.595 111.379 108.800 -0.026 0.000 2.258 248 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.274 248 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.274 248 G C 0.091 174.998 174.900 0.012 0.000 1.021 248 G CA 0.605 45.700 45.100 -0.008 0.000 0.798 248 G HN 0.261 nan 8.290 nan 0.000 0.507 249 Q N -0.231 119.592 119.800 0.038 0.000 2.260 249 Q HA 0.360 4.700 4.340 -0.000 0.000 0.238 249 Q C -0.516 175.494 176.000 0.016 0.000 0.948 249 Q CA -0.621 55.203 55.803 0.034 0.000 0.895 249 Q CB 0.904 29.683 28.738 0.068 0.000 1.218 249 Q HN 0.260 nan 8.270 nan 0.000 0.470 250 D N 1.747 122.141 120.400 -0.011 0.000 2.380 250 D HA 0.188 4.828 4.640 -0.000 0.000 0.230 250 D C -0.841 175.427 176.300 -0.053 0.000 1.154 250 D CA 0.029 54.005 54.000 -0.040 0.000 0.859 250 D CB 0.999 41.755 40.800 -0.072 0.000 1.045 250 D HN 0.108 nan 8.370 nan 0.000 0.495 251 V N 3.118 123.018 119.914 -0.023 0.000 2.532 251 V HA 0.327 4.447 4.120 -0.000 0.000 0.295 251 V C 0.579 176.644 176.094 -0.049 0.000 1.041 251 V CA -0.860 61.439 62.300 -0.001 0.000 0.926 251 V CB 2.097 33.974 31.823 0.091 0.000 0.992 251 V HN 0.352 nan 8.190 nan 0.000 0.457 252 L N 4.546 125.738 121.223 -0.051 0.000 2.275 252 L HA 0.514 4.853 4.340 -0.000 0.000 0.288 252 L C -0.722 176.074 176.870 -0.123 0.000 1.046 252 L CA -0.520 54.234 54.840 -0.144 0.000 0.805 252 L CB 1.510 43.482 42.059 -0.144 0.000 1.193 252 L HN 0.514 nan 8.230 nan 0.000 0.426 253 L N 4.567 125.652 121.223 -0.231 0.000 2.319 253 L HA 0.518 4.858 4.340 -0.000 0.000 0.281 253 L C -1.126 175.555 176.870 -0.315 0.000 1.005 253 L CA 0.147 54.894 54.840 -0.156 0.000 0.828 253 L CB 1.066 43.064 42.059 -0.102 0.000 1.227 253 L HN 0.193 nan 8.230 nan 0.000 0.415 254 F N 5.898 125.814 119.950 -0.057 0.000 2.404 254 F HA 0.527 5.054 4.527 -0.000 0.000 0.345 254 F C 0.197 175.804 175.800 -0.322 0.000 1.110 254 F CA -0.262 57.658 58.000 -0.133 0.000 1.130 254 F CB 1.088 40.087 39.000 -0.002 0.000 1.129 254 F HN 0.265 nan 8.300 nan 0.000 0.500 255 I N 3.184 123.675 120.570 -0.130 0.000 2.411 255 I HA 0.238 4.408 4.170 -0.000 0.000 0.284 255 I C -1.104 174.915 176.117 -0.163 0.000 1.012 255 I CA -0.469 60.705 61.300 -0.211 0.000 1.119 255 I CB 1.518 39.397 38.000 -0.201 0.000 1.261 255 I HN 0.432 nan 8.210 nan 0.000 0.448 256 D N 7.218 127.473 120.400 -0.242 0.000 2.440 256 D HA 0.222 4.862 4.640 -0.000 0.000 0.252 256 D C -1.192 175.092 176.300 -0.026 0.000 1.180 256 D CA -0.291 53.663 54.000 -0.078 0.000 0.894 256 D CB 1.047 41.858 40.800 0.018 0.000 1.111 256 D HN 0.549 nan 8.370 nan 0.000 0.544 257 N N 3.749 122.466 118.700 0.029 0.000 2.292 257 N HA 0.139 4.879 4.740 -0.000 0.000 0.303 257 N C 0.458 176.020 175.510 0.085 0.000 1.140 257 N CA -0.567 52.521 53.050 0.063 0.000 0.788 257 N CB 1.635 40.198 38.487 0.126 0.000 1.361 257 N HN 0.259 nan 8.380 nan 0.000 0.489 258 I N 1.951 122.565 120.570 0.073 0.000 2.454 258 I HA -0.077 4.093 4.170 -0.000 0.000 0.254 258 I C 1.634 177.882 176.117 0.218 0.000 1.156 258 I CA 0.856 62.207 61.300 0.085 0.000 1.433 258 I CB -0.498 37.501 38.000 -0.001 0.000 1.082 258 I HN 0.637 nan 8.210 nan 0.000 0.432 259 F N 1.450 121.465 119.950 0.110 0.000 2.186 259 F HA -0.132 4.395 4.527 -0.000 0.000 0.299 259 F C 2.421 178.298 175.800 0.128 0.000 1.090 259 F CA 1.519 59.601 58.000 0.137 0.000 1.307 259 F CB -0.360 38.758 39.000 0.196 0.000 1.019 259 F HN -0.043 nan 8.300 nan 0.000 0.489 260 R N -0.901 119.588 120.500 -0.019 0.000 2.189 260 R HA -0.133 4.207 4.340 -0.000 0.000 0.218 260 R C 2.168 178.419 176.300 -0.083 0.000 1.074 260 R CA 1.254 57.279 56.100 -0.126 0.000 0.991 260 R CB -0.858 29.437 30.300 -0.007 0.000 0.883 260 R HN 0.413 nan 8.270 nan 0.000 0.457 261 F N 1.756 121.628 119.950 -0.130 0.000 2.075 261 F HA -0.196 4.331 4.527 -0.000 0.000 0.297 261 F C 2.096 177.813 175.800 -0.138 0.000 1.113 261 F CA 1.747 59.680 58.000 -0.111 0.000 1.218 261 F CB -0.482 38.468 39.000 -0.085 0.000 0.984 261 F HN -0.194 nan 8.300 nan 0.000 0.472 262 T N 0.537 114.985 114.554 -0.175 0.000 2.746 262 T HA -0.256 4.094 4.350 -0.000 0.000 0.267 262 T C 1.939 176.444 174.700 -0.324 0.000 1.039 262 T CA 1.608 63.541 62.100 -0.280 0.000 1.142 262 T CB -0.431 68.373 68.868 -0.108 0.000 0.866 262 T HN 0.482 nan 8.240 nan 0.000 0.444 263 Q N 0.697 120.215 119.800 -0.469 0.000 2.050 263 Q HA -0.128 4.212 4.340 -0.000 0.000 0.202 263 Q C 2.473 178.322 176.000 -0.251 0.000 0.980 263 Q CA 1.672 57.232 55.803 -0.406 0.000 0.840 263 Q CB -0.306 28.106 28.738 -0.544 0.000 0.898 263 Q HN 0.529 nan 8.270 nan 0.000 0.424 264 A N 0.569 123.239 122.820 -0.250 0.000 1.930 264 A HA -0.072 4.248 4.320 -0.000 0.000 0.217 264 A C 2.303 179.761 177.584 -0.211 0.000 1.175 264 A CA 1.510 53.431 52.037 -0.193 0.000 0.627 264 A CB -1.228 17.674 19.000 -0.163 0.000 0.815 264 A HN 0.615 nan 8.150 nan 0.000 0.443 265 G N -0.814 107.795 108.800 -0.317 0.000 2.440 265 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.218 265 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.218 265 G C 1.929 176.734 174.900 -0.157 0.000 1.154 265 G CA 1.517 46.448 45.100 -0.281 0.000 0.767 265 G HN 0.551 nan 8.290 nan 0.000 0.552 266 S N 0.212 115.835 115.700 -0.128 0.000 2.368 266 S HA -0.098 4.372 4.470 -0.000 0.000 0.225 266 S C 2.263 176.819 174.600 -0.073 0.000 1.030 266 S CA 1.820 59.981 58.200 -0.065 0.000 0.999 266 S CB -0.279 62.898 63.200 -0.038 0.000 0.844 266 S HN 0.597 nan 8.310 nan 0.000 0.459 267 E N 0.164 120.310 120.200 -0.091 0.000 2.051 267 E HA -0.112 4.238 4.350 -0.000 0.000 0.192 267 E C 2.162 178.726 176.600 -0.060 0.000 0.991 267 E CA 1.493 57.850 56.400 -0.073 0.000 0.799 267 E CB -0.317 29.337 29.700 -0.076 0.000 0.748 267 E HN 0.337 nan 8.360 nan 0.000 0.449 268 V N 0.940 120.813 119.914 -0.069 0.000 2.287 268 V HA -0.298 3.822 4.120 -0.000 0.000 0.248 268 V C 2.447 178.516 176.094 -0.042 0.000 1.053 268 V CA 2.038 64.306 62.300 -0.053 0.000 1.027 268 V CB -0.524 31.261 31.823 -0.063 0.000 0.646 268 V HN 0.280 nan 8.190 nan 0.000 0.447 269 S N -0.629 115.043 115.700 -0.047 0.000 2.368 269 S HA -0.183 4.287 4.470 -0.000 0.000 0.225 269 S C 2.115 176.700 174.600 -0.025 0.000 1.030 269 S CA 1.622 59.803 58.200 -0.032 0.000 0.999 269 S CB -0.313 62.870 63.200 -0.028 0.000 0.844 269 S HN 0.628 nan 8.310 nan 0.000 0.459 270 A N 1.654 124.456 122.820 -0.030 0.000 1.858 270 A HA 0.042 4.362 4.320 -0.000 0.000 0.216 270 A C 2.195 179.766 177.584 -0.021 0.000 1.190 270 A CA 1.482 53.504 52.037 -0.026 0.000 0.617 270 A CB -0.933 18.046 19.000 -0.034 0.000 0.827 270 A HN 0.569 nan 8.150 nan 0.000 0.443 271 L N -0.670 120.539 121.223 -0.023 0.000 2.079 271 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 271 L C 2.035 178.898 176.870 -0.012 0.000 1.081 271 L CA 0.962 55.792 54.840 -0.017 0.000 0.752 271 L CB -0.533 41.514 42.059 -0.019 0.000 0.896 271 L HN 0.357 nan 8.230 nan 0.000 0.433 272 L N -0.239 120.976 121.223 -0.012 0.000 2.627 272 L HA 0.087 4.427 4.340 -0.000 0.000 0.233 272 L C 1.475 178.342 176.870 -0.005 0.000 1.144 272 L CA 0.481 55.317 54.840 -0.007 0.000 0.892 272 L CB -0.547 41.507 42.059 -0.008 0.000 1.039 272 L HN 0.497 nan 8.230 nan 0.000 0.442 273 G N 0.580 109.375 108.800 -0.008 0.000 2.148 273 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.254 273 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.254 273 G C 0.336 175.233 174.900 -0.005 0.000 0.981 273 G CA -0.121 44.975 45.100 -0.006 0.000 0.670 273 G HN 0.386 nan 8.290 nan 0.000 0.528 274 R N -0.316 120.180 120.500 -0.006 0.000 2.491 274 R HA 0.464 4.804 4.340 -0.000 0.000 0.283 274 R C 1.000 177.298 176.300 -0.003 0.000 1.072 274 R CA -0.407 55.691 56.100 -0.004 0.000 1.048 274 R CB 0.648 30.945 30.300 -0.005 0.000 0.983 274 R HN 0.339 nan 8.270 nan 0.000 0.450 275 I N 5.631 126.201 120.570 0.000 0.000 2.587 275 I HA 0.032 4.202 4.170 -0.000 0.000 0.284 275 I C -1.726 174.395 176.117 0.005 0.000 1.134 275 I CA -1.587 59.714 61.300 0.002 0.000 1.410 275 I CB 0.512 38.514 38.000 0.004 0.000 1.392 275 I HN 0.310 nan 8.210 nan 0.000 0.545 276 P HA 0.079 nan 4.420 nan 0.000 0.269 276 P C -0.269 177.045 177.300 0.023 0.000 1.215 276 P CA -0.153 62.952 63.100 0.008 0.000 0.780 276 P CB 0.862 32.557 31.700 -0.009 0.000 0.898 277 S N 1.096 116.824 115.700 0.047 0.000 2.590 277 S HA 0.650 5.120 4.470 -0.000 0.000 0.282 277 S C -0.191 174.452 174.600 0.072 0.000 1.136 277 S CA -0.432 57.804 58.200 0.061 0.000 1.030 277 S CB -0.033 63.213 63.200 0.077 0.000 1.195 277 S HN 0.519 nan 8.310 nan 0.000 0.506 278 A N 0.350 123.222 122.820 0.087 0.000 2.540 278 A HA 0.386 4.706 4.320 -0.000 0.000 0.239 278 A C 1.046 178.714 177.584 0.141 0.000 1.061 278 A CA 0.443 52.536 52.037 0.093 0.000 0.758 278 A CB -0.885 18.168 19.000 0.088 0.000 0.991 278 A HN 1.656 nan 8.150 nan 0.000 0.502 279 V N 1.182 121.146 119.914 0.082 0.000 2.666 279 V HA -0.323 3.797 4.120 -0.000 0.000 0.147 279 V C 1.844 177.862 176.094 -0.128 0.000 0.450 279 V CA 1.706 64.028 62.300 0.037 0.000 1.232 279 V CB -2.444 29.477 31.823 0.163 0.000 1.437 279 V HN 2.950 nan 8.190 nan 0.000 1.056 280 G N -2.505 106.247 108.800 -0.079 0.000 2.176 280 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.253 280 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.253 280 G C -0.056 174.744 174.900 -0.167 0.000 0.979 280 G CA 0.320 45.336 45.100 -0.139 0.000 0.641 280 G HN 0.891 nan 8.290 nan 0.000 0.530 281 Y N 2.001 122.309 120.300 0.013 0.000 2.385 281 Y HA 0.346 4.896 4.550 -0.000 0.000 0.346 281 Y C 1.531 177.421 175.900 -0.016 0.000 1.270 281 Y CA 0.120 58.218 58.100 -0.003 0.000 1.472 281 Y CB 0.410 38.877 38.460 0.011 0.000 1.354 281 Y HN 0.405 nan 8.280 nan 0.000 0.611 282 Q N 3.452 123.344 119.800 0.153 0.000 2.361 282 Q HA 0.022 4.362 4.340 -0.000 0.000 0.276 282 Q C -2.243 173.795 176.000 0.063 0.000 1.022 282 Q CA -1.518 54.322 55.803 0.062 0.000 0.898 282 Q CB 0.749 29.495 28.738 0.015 0.000 1.246 282 Q HN 0.402 nan 8.270 nan 0.000 0.410 283 P HA -0.129 nan 4.420 nan 0.000 0.219 283 P C 0.900 178.214 177.300 0.024 0.000 1.146 283 P CA 1.598 64.717 63.100 0.032 0.000 0.808 283 P CB -0.115 31.597 31.700 0.020 0.000 0.779 284 T N -3.613 110.950 114.554 0.015 0.000 3.235 284 T HA 0.129 4.479 4.350 -0.000 0.000 0.251 284 T C 1.446 176.151 174.700 0.008 0.000 1.060 284 T CA -0.348 61.758 62.100 0.009 0.000 0.949 284 T CB -0.882 67.985 68.868 -0.001 0.000 1.020 284 T HN -0.151 nan 8.240 nan 0.000 0.564 285 L N 1.871 123.100 121.223 0.010 0.000 1.997 285 L HA -0.060 4.280 4.340 -0.000 0.000 0.216 285 L C 2.687 179.564 176.870 0.011 0.000 1.074 285 L CA 2.363 57.198 54.840 -0.008 0.000 0.763 285 L CB -1.109 40.929 42.059 -0.034 0.000 0.890 285 L HN 0.386 nan 8.230 nan 0.000 0.434 286 A N -1.635 121.201 122.820 0.026 0.000 1.930 286 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 286 A C 2.307 179.940 177.584 0.080 0.000 1.175 286 A CA 2.157 54.230 52.037 0.060 0.000 0.627 286 A CB -1.225 17.805 19.000 0.050 0.000 0.815 286 A HN 0.650 nan 8.150 nan 0.000 0.443 287 T N -2.314 112.273 114.554 0.056 0.000 2.896 287 T HA -0.101 4.249 4.350 -0.000 0.000 0.263 287 T C 1.368 176.106 174.700 0.064 0.000 1.050 287 T CA 1.246 63.380 62.100 0.057 0.000 1.140 287 T CB -0.430 68.460 68.868 0.038 0.000 0.877 287 T HN 0.317 nan 8.240 nan 0.000 0.457 288 D N 1.072 121.504 120.400 0.053 0.000 2.104 288 D HA -0.079 4.561 4.640 -0.000 0.000 0.194 288 D C 1.951 178.366 176.300 0.191 0.000 0.994 288 D CA 1.220 55.262 54.000 0.070 0.000 0.830 288 D CB -0.399 40.379 40.800 -0.038 0.000 0.959 288 D HN 0.298 nan 8.370 nan 0.000 0.452 289 M N 0.764 120.466 119.600 0.170 0.000 2.067 289 M HA -0.007 4.473 4.480 -0.000 0.000 0.260 289 M C 2.055 178.317 176.300 -0.064 0.000 1.069 289 M CA 1.984 57.366 55.300 0.137 0.000 1.117 289 M CB -0.896 31.756 32.600 0.087 0.000 1.334 289 M HN 0.008 nan 8.290 nan 0.000 0.407 290 G N -1.423 107.385 108.800 0.012 0.000 2.418 290 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.217 290 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.217 290 G C 1.437 176.341 174.900 0.007 0.000 1.158 290 G CA 1.668 46.787 45.100 0.031 0.000 0.771 290 G HN 0.614 nan 8.290 nan 0.000 0.545 291 T N -1.722 112.854 114.554 0.037 0.000 2.915 291 T HA -0.004 4.346 4.350 -0.000 0.000 0.269 291 T C 2.187 176.894 174.700 0.012 0.000 1.071 291 T CA 1.389 63.514 62.100 0.041 0.000 1.132 291 T CB -0.086 68.824 68.868 0.071 0.000 0.878 291 T HN 0.132 nan 8.240 nan 0.000 0.479 292 M N 0.717 120.307 119.600 -0.016 0.000 2.191 292 M HA 0.050 4.530 4.480 -0.000 0.000 0.262 292 M C 2.292 178.484 176.300 -0.179 0.000 1.083 292 M CA 1.364 56.603 55.300 -0.102 0.000 1.154 292 M CB -0.737 31.753 32.600 -0.183 0.000 1.344 292 M HN 0.156 nan 8.290 nan 0.000 0.431 293 Q N 0.600 120.244 119.800 -0.261 0.000 2.096 293 Q HA -0.171 4.169 4.340 -0.000 0.000 0.204 293 Q C 1.743 177.666 176.000 -0.129 0.000 0.982 293 Q CA 1.374 57.003 55.803 -0.289 0.000 0.850 293 Q CB -0.548 27.816 28.738 -0.624 0.000 0.901 293 Q HN 0.566 nan 8.270 nan 0.000 0.422 294 E N 0.512 120.674 120.200 -0.064 0.000 2.333 294 E HA -0.136 4.214 4.350 -0.000 0.000 0.198 294 E C 1.815 178.406 176.600 -0.016 0.000 1.007 294 E CA 0.477 56.878 56.400 0.002 0.000 0.845 294 E CB -0.074 29.648 29.700 0.038 0.000 0.766 294 E HN 0.317 nan 8.360 nan 0.000 0.507 295 R N 0.075 120.551 120.500 -0.040 0.000 2.236 295 R HA 0.105 4.445 4.340 -0.000 0.000 0.208 295 R C 0.784 177.056 176.300 -0.046 0.000 1.036 295 R CA 0.250 56.328 56.100 -0.036 0.000 1.001 295 R CB 0.122 30.397 30.300 -0.041 0.000 0.896 295 R HN 0.063 nan 8.270 nan 0.000 0.464 296 I N 1.129 121.660 120.570 -0.064 0.000 2.291 296 I HA 0.117 4.287 4.170 -0.000 0.000 0.292 296 I C 0.116 176.202 176.117 -0.052 0.000 1.064 296 I CA 0.163 61.420 61.300 -0.070 0.000 1.269 296 I CB 1.340 39.278 38.000 -0.103 0.000 1.418 296 I HN -0.073 nan 8.210 nan 0.000 0.485 297 T N 3.011 117.537 114.554 -0.046 0.000 2.717 297 T HA 0.231 4.581 4.350 -0.000 0.000 0.315 297 T C -0.851 173.824 174.700 -0.041 0.000 1.746 297 T CA -0.529 61.547 62.100 -0.040 0.000 1.001 297 T CB 1.403 70.252 68.868 -0.032 0.000 1.673 297 T HN 0.396 nan 8.240 nan 0.000 0.498 298 T N 2.989 117.518 114.554 -0.042 0.000 2.806 298 T HA 0.627 4.977 4.350 -0.000 0.000 0.290 298 T C 0.443 175.116 174.700 -0.045 0.000 0.966 298 T CA -0.331 61.745 62.100 -0.041 0.000 1.060 298 T CB 0.892 69.736 68.868 -0.040 0.000 0.927 298 T HN 0.866 nan 8.240 nan 0.000 0.485 299 T N 0.226 114.757 114.554 -0.039 0.000 2.807 299 T HA 0.490 4.840 4.350 -0.000 0.000 0.277 299 T C 1.102 175.780 174.700 -0.037 0.000 1.006 299 T CA -1.048 61.027 62.100 -0.042 0.000 1.006 299 T CB 1.395 70.243 68.868 -0.034 0.000 1.274 299 T HN 0.317 nan 8.240 nan 0.000 0.569 300 K N -0.071 120.308 120.400 -0.036 0.000 2.209 300 K HA 0.032 4.352 4.320 -0.000 0.000 0.204 300 K C 2.005 178.591 176.600 -0.023 0.000 1.048 300 K CA 1.065 57.335 56.287 -0.029 0.000 0.940 300 K CB -0.099 32.385 32.500 -0.027 0.000 0.729 300 K HN 0.352 nan 8.250 nan 0.000 0.451 301 K N -0.760 119.626 120.400 -0.024 0.000 2.137 301 K HA 0.074 4.394 4.320 -0.000 0.000 0.202 301 K C 0.833 177.423 176.600 -0.018 0.000 1.052 301 K CA 0.863 57.137 56.287 -0.023 0.000 0.961 301 K CB 0.629 33.111 32.500 -0.030 0.000 0.741 301 K HN 0.284 nan 8.250 nan 0.000 0.452 302 G N -1.469 107.321 108.800 -0.018 0.000 2.435 302 G HA2 0.336 4.296 3.960 -0.000 0.000 0.228 302 G HA3 0.336 4.296 3.960 -0.000 0.000 0.228 302 G C -1.468 173.421 174.900 -0.018 0.000 1.198 302 G CA -0.129 44.964 45.100 -0.012 0.000 0.948 302 G HN 0.167 nan 8.290 nan 0.000 0.487 303 S N -1.268 114.422 115.700 -0.016 0.000 2.570 303 S HA 0.758 5.228 4.470 -0.000 0.000 0.270 303 S C -1.371 173.214 174.600 -0.024 0.000 1.149 303 S CA -0.759 57.425 58.200 -0.027 0.000 0.837 303 S CB 1.747 64.924 63.200 -0.038 0.000 1.124 303 S HN 0.874 nan 8.310 nan 0.000 0.465 304 I N 1.928 122.477 120.570 -0.035 0.000 2.389 304 I HA 0.429 4.599 4.170 -0.000 0.000 0.288 304 I C -0.448 175.620 176.117 -0.081 0.000 0.999 304 I CA -0.380 60.893 61.300 -0.045 0.000 1.129 304 I CB 2.172 40.152 38.000 -0.034 0.000 1.288 304 I HN 0.658 nan 8.210 nan 0.000 0.444 305 T N 3.798 118.285 114.554 -0.111 0.000 2.855 305 T HA 0.382 4.732 4.350 -0.000 0.000 0.281 305 T C -0.394 174.171 174.700 -0.224 0.000 1.007 305 T CA -0.584 61.425 62.100 -0.152 0.000 1.009 305 T CB 1.689 70.474 68.868 -0.138 0.000 0.983 305 T HN 0.502 nan 8.240 nan 0.000 0.455 306 S N 1.989 117.535 115.700 -0.256 0.000 2.561 306 S HA 0.578 5.048 4.470 -0.000 0.000 0.303 306 S C -0.709 173.679 174.600 -0.354 0.000 1.110 306 S CA -0.621 57.396 58.200 -0.305 0.000 1.034 306 S CB 0.653 63.717 63.200 -0.227 0.000 1.010 306 S HN 0.469 nan 8.310 nan 0.000 0.482 307 V N 6.075 125.724 119.914 -0.442 0.000 2.383 307 V HA 0.455 4.575 4.120 -0.000 0.000 0.275 307 V C -0.314 175.698 176.094 -0.136 0.000 1.036 307 V CA -0.383 61.735 62.300 -0.303 0.000 0.889 307 V CB 1.300 32.975 31.823 -0.247 0.000 0.985 307 V HN 0.848 nan 8.190 nan 0.000 0.459 308 Q N 3.616 123.354 119.800 -0.105 0.000 2.320 308 Q HA 0.626 4.966 4.340 -0.000 0.000 0.268 308 Q C -0.262 175.697 176.000 -0.069 0.000 1.023 308 Q CA -0.566 55.187 55.803 -0.083 0.000 0.744 308 Q CB 2.192 30.863 28.738 -0.113 0.000 1.246 308 Q HN 0.849 nan 8.270 nan 0.000 0.462 309 A N 4.616 127.427 122.820 -0.014 0.000 2.492 309 A HA 0.298 4.618 4.320 -0.000 0.000 0.254 309 A C -0.045 177.509 177.584 -0.050 0.000 1.091 309 A CA 0.035 52.062 52.037 -0.016 0.000 0.768 309 A CB 0.030 19.069 19.000 0.066 0.000 1.028 309 A HN 0.652 nan 8.150 nan 0.000 0.498 310 I N 2.959 123.417 120.570 -0.187 0.000 2.362 310 I HA 0.204 4.374 4.170 -0.000 0.000 0.289 310 I C -0.598 175.498 176.117 -0.036 0.000 0.994 310 I CA -0.359 60.849 61.300 -0.153 0.000 1.158 310 I CB 1.062 38.831 38.000 -0.385 0.000 1.315 310 I HN 0.733 nan 8.210 nan 0.000 0.451 311 Y N 6.273 126.566 120.300 -0.012 0.000 2.323 311 Y HA 0.470 5.020 4.550 -0.000 0.000 0.331 311 Y C -0.430 175.378 175.900 -0.155 0.000 1.092 311 Y CA -0.450 57.620 58.100 -0.051 0.000 1.150 311 Y CB 1.515 39.953 38.460 -0.037 0.000 1.200 311 Y HN 0.305 nan 8.280 nan 0.000 0.472 312 V N 8.732 128.203 119.914 -0.739 0.000 2.311 312 V HA 0.318 4.438 4.120 -0.000 0.000 0.275 312 V C -2.286 173.398 176.094 -0.683 0.000 1.022 312 V CA -2.120 59.891 62.300 -0.482 0.000 0.830 312 V CB 0.770 32.509 31.823 -0.141 0.000 1.012 312 V HN 0.719 nan 8.190 nan 0.000 0.452 313 P HA 0.204 nan 4.420 nan 0.000 0.267 313 P C 0.627 177.854 177.300 -0.122 0.000 1.205 313 P CA 0.550 63.506 63.100 -0.241 0.000 0.765 313 P CB 0.796 32.419 31.700 -0.128 0.000 0.828 314 A N 3.725 126.511 122.820 -0.057 0.000 2.790 314 A HA -0.260 4.060 4.320 -0.000 0.000 0.277 314 A C 0.895 178.452 177.584 -0.045 0.000 1.435 314 A CA 1.126 53.150 52.037 -0.021 0.000 0.877 314 A CB -2.556 16.451 19.000 0.012 0.000 1.007 314 A HN 0.666 nan 8.150 nan 0.000 0.613 315 D N -1.281 119.056 120.400 -0.104 0.000 2.792 315 D HA -0.206 4.434 4.640 -0.000 0.000 0.231 315 D C -0.167 176.114 176.300 -0.031 0.000 1.160 315 D CA 1.936 55.888 54.000 -0.079 0.000 0.697 315 D CB -0.862 39.909 40.800 -0.048 0.000 1.070 315 D HN 0.930 nan 8.370 nan 0.000 0.426 316 D N 0.331 120.714 120.400 -0.028 0.000 2.443 316 D HA 0.231 4.871 4.640 -0.000 0.000 0.221 316 D C 1.456 177.772 176.300 0.026 0.000 1.097 316 D CA -0.512 53.492 54.000 0.007 0.000 0.865 316 D CB 0.357 41.167 40.800 0.015 0.000 1.034 316 D HN 0.080 nan 8.370 nan 0.000 0.511 317 L N 2.457 123.725 121.223 0.074 0.000 2.456 317 L HA -0.068 4.272 4.340 -0.000 0.000 0.224 317 L C 2.104 179.049 176.870 0.124 0.000 1.148 317 L CA 1.288 56.233 54.840 0.174 0.000 0.825 317 L CB -0.375 41.827 42.059 0.238 0.000 0.937 317 L HN 0.476 nan 8.230 nan 0.000 0.450 318 T N -5.128 109.466 114.554 0.065 0.000 3.086 318 T HA -0.012 4.338 4.350 -0.000 0.000 0.250 318 T C 0.713 175.422 174.700 0.016 0.000 1.074 318 T CA -0.488 61.638 62.100 0.043 0.000 0.988 318 T CB -0.207 68.688 68.868 0.045 0.000 0.988 318 T HN 0.173 nan 8.240 nan 0.000 0.530 319 D N 2.591 122.998 120.400 0.010 0.000 2.488 319 D HA 0.034 4.674 4.640 -0.000 0.000 0.238 319 D C -1.471 174.805 176.300 -0.041 0.000 1.138 319 D CA -1.379 52.642 54.000 0.036 0.000 0.873 319 D CB 1.575 42.413 40.800 0.062 0.000 1.183 319 D HN 0.017 nan 8.370 nan 0.000 0.458 320 P HA -0.189 nan 4.420 nan 0.000 0.217 320 P C 0.860 177.938 177.300 -0.370 0.000 1.151 320 P CA 1.869 64.854 63.100 -0.192 0.000 0.849 320 P CB 0.127 31.722 31.700 -0.174 0.000 0.787 321 A N 0.283 122.793 122.820 -0.516 0.000 1.835 321 A HA -0.127 4.193 4.320 -0.000 0.000 0.215 321 A C 0.010 177.459 177.584 -0.225 0.000 1.199 321 A CA 2.311 54.140 52.037 -0.346 0.000 0.615 321 A CB -2.287 16.728 19.000 0.024 0.000 0.838 321 A HN 0.217 nan 8.150 nan 0.000 0.444 322 P HA -0.114 nan 4.420 nan 0.000 0.217 322 P C 1.588 178.243 177.300 -1.074 0.000 1.150 322 P CA 1.940 64.621 63.100 -0.698 0.000 0.832 322 P CB -0.201 31.118 31.700 -0.635 0.000 0.787 323 A N 0.148 122.628 122.820 -0.567 0.000 1.883 323 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 323 A C 2.365 179.848 177.584 -0.167 0.000 1.186 323 A CA 2.623 54.482 52.037 -0.296 0.000 0.624 323 A CB -1.957 16.976 19.000 -0.111 0.000 0.822 323 A HN 0.201 nan 8.150 nan 0.000 0.444 324 T N -0.136 114.328 114.554 -0.151 0.000 2.746 324 T HA -0.108 4.242 4.350 -0.000 0.000 0.267 324 T C 1.997 176.735 174.700 0.064 0.000 1.039 324 T CA 1.897 63.976 62.100 -0.035 0.000 1.142 324 T CB -0.561 68.282 68.868 -0.042 0.000 0.866 324 T HN 0.601 nan 8.240 nan 0.000 0.444 325 T N 2.124 116.664 114.554 -0.023 0.000 2.746 325 T HA -0.037 4.313 4.350 -0.000 0.000 0.267 325 T C 1.573 176.416 174.700 0.238 0.000 1.039 325 T CA 0.879 63.034 62.100 0.091 0.000 1.142 325 T CB -0.486 68.382 68.868 -0.000 0.000 0.866 325 T HN 0.240 nan 8.240 nan 0.000 0.444 326 F N 2.078 122.087 119.950 0.098 0.000 2.202 326 F HA 0.035 4.562 4.527 -0.000 0.000 0.301 326 F C 2.711 178.528 175.800 0.029 0.000 1.082 326 F CA -0.084 57.961 58.000 0.076 0.000 1.313 326 F CB -1.543 37.498 39.000 0.068 0.000 1.024 326 F HN 0.181 nan 8.300 nan 0.000 0.495 327 A N -0.783 122.132 122.820 0.158 0.000 2.032 327 A HA -0.210 4.109 4.320 -0.000 0.000 0.221 327 A C 1.858 179.333 177.584 -0.182 0.000 1.165 327 A CA 1.785 53.786 52.037 -0.059 0.000 0.645 327 A CB -0.918 17.969 19.000 -0.188 0.000 0.807 327 A HN 0.505 nan 8.150 nan 0.000 0.453 328 H N -1.465 117.648 119.070 0.071 0.000 2.622 328 H HA 0.301 4.857 4.556 -0.000 0.000 0.269 328 H C 0.012 175.354 175.328 0.023 0.000 0.977 328 H CA -0.090 55.977 56.048 0.031 0.000 1.179 328 H CB 0.107 29.873 29.762 0.006 0.000 1.458 328 H HN 0.332 nan 8.280 nan 0.000 0.531 329 L N 1.687 122.999 121.223 0.148 0.000 2.326 329 L HA 0.105 4.445 4.340 -0.000 0.000 0.278 329 L C 0.782 177.673 176.870 0.036 0.000 1.092 329 L CA -0.068 54.825 54.840 0.088 0.000 0.810 329 L CB 1.142 43.277 42.059 0.127 0.000 1.153 329 L HN 0.066 nan 8.230 nan 0.000 0.439 330 D N 1.604 122.005 120.400 0.001 0.000 2.423 330 D HA 0.272 4.912 4.640 -0.000 0.000 0.208 330 D C 0.300 176.597 176.300 -0.006 0.000 1.068 330 D CA 0.386 54.381 54.000 -0.009 0.000 0.860 330 D CB 1.472 42.260 40.800 -0.020 0.000 0.992 330 D HN 0.572 nan 8.370 nan 0.000 0.504 331 A N 0.549 123.362 122.820 -0.011 0.000 2.609 331 A HA 0.610 4.930 4.320 -0.000 0.000 0.291 331 A C -0.835 176.773 177.584 0.041 0.000 1.096 331 A CA -0.579 51.468 52.037 0.017 0.000 0.684 331 A CB 1.647 20.672 19.000 0.041 0.000 1.282 331 A HN -0.022 nan 8.150 nan 0.000 0.412 332 T N -1.454 113.154 114.554 0.089 0.000 2.893 332 T HA 0.726 5.076 4.350 -0.000 0.000 0.293 332 T C -0.743 174.081 174.700 0.206 0.000 1.027 332 T CA -0.493 61.713 62.100 0.176 0.000 0.988 332 T CB 1.626 70.576 68.868 0.137 0.000 1.043 332 T HN 0.640 nan 8.240 nan 0.000 0.461 333 T N 2.642 117.361 114.554 0.275 0.000 2.842 333 T HA 0.488 4.838 4.350 -0.000 0.000 0.308 333 T C -0.219 174.656 174.700 0.292 0.000 1.041 333 T CA -0.544 61.720 62.100 0.272 0.000 0.964 333 T CB 0.775 69.835 68.868 0.321 0.000 0.972 333 T HN 0.650 nan 8.240 nan 0.000 0.460 334 V N 5.785 125.818 119.914 0.198 0.000 2.348 334 V HA 0.353 4.473 4.120 -0.000 0.000 0.270 334 V C 0.133 176.313 176.094 0.144 0.000 1.037 334 V CA -0.731 61.672 62.300 0.171 0.000 0.872 334 V CB 0.604 32.434 31.823 0.012 0.000 1.002 334 V HN 0.750 nan 8.190 nan 0.000 0.464 335 L N 4.275 125.603 121.223 0.176 0.000 2.276 335 L HA 0.527 4.867 4.340 -0.000 0.000 0.286 335 L C 0.402 177.336 176.870 0.107 0.000 1.061 335 L CA 0.252 55.175 54.840 0.140 0.000 0.807 335 L CB 1.575 43.733 42.059 0.164 0.000 1.177 335 L HN 0.660 nan 8.230 nan 0.000 0.429 336 S N 2.527 118.267 115.700 0.066 0.000 2.502 336 S HA 0.330 4.800 4.470 -0.000 0.000 0.304 336 S C 0.714 175.329 174.600 0.025 0.000 1.097 336 S CA -0.756 57.468 58.200 0.041 0.000 1.045 336 S CB 1.710 64.920 63.200 0.017 0.000 1.019 336 S HN 0.736 nan 8.310 nan 0.000 0.481 337 R N 3.483 124.003 120.500 0.034 0.000 2.148 337 R HA 0.026 4.366 4.340 -0.000 0.000 0.227 337 R C 1.994 178.298 176.300 0.006 0.000 1.103 337 R CA 1.641 57.759 56.100 0.030 0.000 0.983 337 R CB -0.529 29.797 30.300 0.044 0.000 0.874 337 R HN 0.738 nan 8.270 nan 0.000 0.451 338 A N 1.260 124.082 122.820 0.002 0.000 1.902 338 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 338 A C 2.019 179.587 177.584 -0.026 0.000 1.181 338 A CA 1.173 53.206 52.037 -0.006 0.000 0.623 338 A CB -0.352 18.647 19.000 -0.001 0.000 0.818 338 A HN 0.286 nan 8.150 nan 0.000 0.443 339 I N -0.235 120.311 120.570 -0.040 0.000 2.315 339 I HA -0.186 3.984 4.170 -0.000 0.000 0.248 339 I C 2.869 178.885 176.117 -0.167 0.000 1.117 339 I CA 1.370 62.624 61.300 -0.077 0.000 1.404 339 I CB -1.505 36.456 38.000 -0.065 0.000 1.071 339 I HN 0.365 nan 8.210 nan 0.000 0.419 340 A N 0.739 123.452 122.820 -0.178 0.000 1.898 340 A HA -0.177 4.143 4.320 -0.000 0.000 0.216 340 A C 2.143 179.638 177.584 -0.147 0.000 1.181 340 A CA 1.256 53.115 52.037 -0.296 0.000 0.620 340 A CB -0.593 18.352 19.000 -0.092 0.000 0.819 340 A HN 0.421 nan 8.150 nan 0.000 0.442 341 E N -0.526 119.644 120.200 -0.050 0.000 2.478 341 E HA 0.030 4.380 4.350 -0.000 0.000 0.198 341 E C 1.149 177.737 176.600 -0.020 0.000 1.046 341 E CA 0.224 56.621 56.400 -0.005 0.000 0.870 341 E CB -0.116 29.589 29.700 0.009 0.000 0.818 341 E HN 0.601 nan 8.360 nan 0.000 0.527 342 L N -0.990 120.200 121.223 -0.055 0.000 2.592 342 L HA 0.196 4.535 4.340 -0.000 0.000 0.227 342 L C 1.417 178.244 176.870 -0.071 0.000 1.127 342 L CA 0.279 55.086 54.840 -0.055 0.000 0.884 342 L CB 0.344 42.374 42.059 -0.047 0.000 1.065 342 L HN 0.274 nan 8.230 nan 0.000 0.457 343 G N 0.293 109.050 108.800 -0.071 0.000 2.179 343 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.260 343 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.260 343 G C 0.332 175.264 174.900 0.052 0.000 0.977 343 G CA -0.357 44.765 45.100 0.037 0.000 0.641 343 G HN 0.141 nan 8.290 nan 0.000 0.533 344 I N 1.002 121.489 120.570 -0.140 0.000 2.452 344 I HA 0.402 4.572 4.170 -0.000 0.000 0.287 344 I C -0.110 175.777 176.117 -0.383 0.000 1.079 344 I CA -0.370 60.888 61.300 -0.071 0.000 1.387 344 I CB -0.175 37.800 38.000 -0.042 0.000 1.404 344 I HN 0.081 nan 8.210 nan 0.000 0.522 345 Y N 7.308 127.617 120.300 0.015 0.000 2.373 345 Y HA 0.387 4.937 4.550 -0.000 0.000 0.336 345 Y C -2.111 173.635 175.900 -0.258 0.000 0.979 345 Y CA -2.512 55.528 58.100 -0.101 0.000 1.080 345 Y CB 1.997 40.387 38.460 -0.116 0.000 1.190 345 Y HN 0.420 nan 8.280 nan 0.000 0.446 346 P HA 0.128 nan 4.420 nan 0.000 0.275 346 P C -0.282 177.032 177.300 0.023 0.000 1.228 346 P CA -0.243 62.886 63.100 0.048 0.000 0.786 346 P CB 1.222 33.014 31.700 0.154 0.000 0.927 347 A N 3.415 126.248 122.820 0.021 0.000 2.810 347 A HA 0.196 4.516 4.320 -0.000 0.000 0.247 347 A C 0.492 178.085 177.584 0.015 0.000 1.576 347 A CA -0.224 51.768 52.037 -0.076 0.000 1.294 347 A CB -1.270 17.664 19.000 -0.110 0.000 0.976 347 A HN 0.372 nan 8.150 nan 0.000 0.631 348 V N 1.172 121.111 119.914 0.043 0.000 2.488 348 V HA 0.050 4.170 4.120 -0.000 0.000 0.277 348 V C 0.437 176.550 176.094 0.031 0.000 1.046 348 V CA -0.614 61.724 62.300 0.064 0.000 0.986 348 V CB 1.116 32.989 31.823 0.084 0.000 0.989 348 V HN 0.553 nan 8.190 nan 0.000 0.475 349 D N 8.063 128.481 120.400 0.030 0.000 2.346 349 D HA 0.125 4.765 4.640 -0.000 0.000 0.260 349 D C -1.339 174.963 176.300 0.004 0.000 1.252 349 D CA -1.625 52.381 54.000 0.009 0.000 0.895 349 D CB 1.828 42.628 40.800 -0.000 0.000 1.097 349 D HN 0.312 nan 8.370 nan 0.000 0.489 350 P HA -0.029 nan 4.420 nan 0.000 0.233 350 P C 1.277 178.562 177.300 -0.026 0.000 1.167 350 P CA 0.477 63.565 63.100 -0.020 0.000 0.770 350 P CB 0.497 32.180 31.700 -0.029 0.000 0.837 351 L N -1.068 120.143 121.223 -0.021 0.000 2.388 351 L HA 0.143 4.483 4.340 -0.000 0.000 0.209 351 L C 1.970 178.817 176.870 -0.039 0.000 1.061 351 L CA 0.747 55.571 54.840 -0.027 0.000 0.834 351 L CB -0.708 41.339 42.059 -0.019 0.000 1.029 351 L HN -0.207 nan 8.230 nan 0.000 0.473 352 D N 0.046 120.419 120.400 -0.045 0.000 2.194 352 D HA -0.026 4.614 4.640 -0.000 0.000 0.204 352 D C 0.740 176.991 176.300 -0.081 0.000 0.964 352 D CA 0.597 54.550 54.000 -0.078 0.000 0.846 352 D CB 0.106 40.852 40.800 -0.090 0.000 0.962 352 D HN 0.049 nan 8.370 nan 0.000 0.490 353 S N 0.303 115.982 115.700 -0.034 0.000 2.510 353 S HA 0.355 4.824 4.470 -0.000 0.000 0.279 353 S C 0.495 175.093 174.600 -0.002 0.000 1.284 353 S CA -0.338 57.863 58.200 0.001 0.000 1.059 353 S CB 0.949 64.179 63.200 0.050 0.000 0.901 353 S HN 0.281 nan 8.310 nan 0.000 0.491 354 T N -0.373 114.181 114.554 -0.000 0.000 2.901 354 T HA 0.776 5.126 4.350 -0.000 0.000 0.293 354 T C -0.585 174.131 174.700 0.027 0.000 1.084 354 T CA -0.893 61.207 62.100 -0.001 0.000 1.008 354 T CB 1.897 70.744 68.868 -0.035 0.000 1.170 354 T HN 0.395 nan 8.240 nan 0.000 0.509 355 S N -0.691 115.025 115.700 0.027 0.000 2.572 355 S HA 0.386 4.856 4.470 -0.000 0.000 0.274 355 S C 0.821 175.432 174.600 0.019 0.000 1.150 355 S CA -0.863 57.358 58.200 0.036 0.000 0.944 355 S CB 1.533 64.769 63.200 0.061 0.000 1.071 355 S HN 0.764 nan 8.310 nan 0.000 0.479 356 R N 2.217 122.722 120.500 0.009 0.000 2.120 356 R HA -0.034 4.306 4.340 -0.000 0.000 0.234 356 R C 1.710 178.007 176.300 -0.006 0.000 1.123 356 R CA 1.945 58.044 56.100 -0.001 0.000 0.975 356 R CB -0.568 29.728 30.300 -0.007 0.000 0.866 356 R HN 0.835 nan 8.270 nan 0.000 0.446 357 I N -2.285 118.281 120.570 -0.007 0.000 3.646 357 I HA 0.089 4.259 4.170 -0.000 0.000 0.301 357 I C 0.548 176.638 176.117 -0.045 0.000 1.276 357 I CA 0.132 61.416 61.300 -0.027 0.000 1.254 357 I CB 0.100 38.087 38.000 -0.022 0.000 1.020 357 I HN -0.100 nan 8.210 nan 0.000 0.473 358 M N 3.160 122.755 119.600 -0.010 0.000 3.442 358 M HA 0.207 4.686 4.480 -0.000 0.000 0.232 358 M C -0.632 175.730 176.300 0.103 0.000 1.508 358 M CA 0.735 56.059 55.300 0.039 0.000 1.647 358 M CB -1.460 31.185 32.600 0.075 0.000 1.126 358 M HN 0.326 nan 8.290 nan 0.000 0.557 359 D N 2.727 123.098 120.400 -0.048 0.000 2.964 359 D HA 0.333 4.973 4.640 -0.000 0.000 0.234 359 D C -2.183 173.914 176.300 -0.338 0.000 1.223 359 D CA -1.339 52.507 54.000 -0.257 0.000 0.889 359 D CB 3.007 43.711 40.800 -0.161 0.000 1.609 359 D HN 0.067 nan 8.370 nan 0.000 0.523 360 P HA -0.127 nan 4.420 nan 0.000 0.219 360 P C 0.719 177.917 177.300 -0.169 0.000 1.146 360 P CA 0.897 63.779 63.100 -0.364 0.000 0.808 360 P CB 0.589 32.019 31.700 -0.449 0.000 0.779 361 N N -0.135 118.463 118.700 -0.171 0.000 2.216 361 N HA -0.046 4.694 4.740 -0.000 0.000 0.183 361 N C 1.969 177.437 175.510 -0.069 0.000 1.017 361 N CA 0.966 53.958 53.050 -0.098 0.000 0.861 361 N CB -0.738 37.695 38.487 -0.091 0.000 0.986 361 N HN 0.279 nan 8.380 nan 0.000 0.428 362 I N 0.374 120.895 120.570 -0.081 0.000 2.260 362 I HA -0.057 4.113 4.170 -0.000 0.000 0.237 362 I C 1.153 177.243 176.117 -0.045 0.000 1.075 362 I CA 0.227 61.493 61.300 -0.057 0.000 1.376 362 I CB -0.399 37.565 38.000 -0.060 0.000 1.107 362 I HN -0.094 nan 8.210 nan 0.000 0.420 363 V N -0.238 119.632 119.914 -0.074 0.000 3.653 363 V HA 0.534 4.653 4.120 -0.000 0.000 0.282 363 V C 0.868 176.979 176.094 0.028 0.000 0.993 363 V CA -0.713 61.550 62.300 -0.062 0.000 0.986 363 V CB -0.492 31.139 31.823 -0.320 0.000 1.249 363 V HN 0.244 nan 8.190 nan 0.000 0.423 364 G N -0.567 108.314 108.800 0.134 0.000 2.664 364 G HA2 0.290 4.250 3.960 -0.000 0.000 0.242 364 G HA3 0.290 4.250 3.960 -0.000 0.000 0.242 364 G C 0.908 175.901 174.900 0.154 0.000 1.225 364 G CA 0.358 45.547 45.100 0.148 0.000 0.849 364 G HN 1.106 nan 8.290 nan 0.000 0.581 365 S N -0.810 114.962 115.700 0.119 0.000 2.387 365 S HA -0.116 4.354 4.470 -0.000 0.000 0.226 365 S C 2.001 176.705 174.600 0.174 0.000 1.026 365 S CA 1.730 60.011 58.200 0.136 0.000 0.972 365 S CB -0.292 62.960 63.200 0.087 0.000 0.814 365 S HN 0.738 nan 8.310 nan 0.000 0.477 366 E N -0.304 119.983 120.200 0.146 0.000 2.051 366 E HA -0.235 4.115 4.350 -0.000 0.000 0.192 366 E C 1.881 178.586 176.600 0.174 0.000 0.991 366 E CA 1.330 57.809 56.400 0.133 0.000 0.799 366 E CB -0.329 29.430 29.700 0.099 0.000 0.748 366 E HN 0.799 nan 8.360 nan 0.000 0.449 367 H N -1.379 117.751 119.070 0.099 0.000 2.290 367 H HA -0.230 4.326 4.556 -0.000 0.000 0.298 367 H C 2.118 177.510 175.328 0.108 0.000 1.087 367 H CA 1.939 58.044 56.048 0.096 0.000 1.291 367 H CB -0.158 29.661 29.762 0.094 0.000 1.369 367 H HN 0.245 nan 8.280 nan 0.000 0.492 368 Y N 1.566 121.978 120.300 0.186 0.000 2.128 368 Y HA -0.254 4.296 4.550 -0.000 0.000 0.284 368 Y C 1.998 177.944 175.900 0.077 0.000 1.154 368 Y CA 2.032 60.181 58.100 0.081 0.000 1.149 368 Y CB -0.395 38.081 38.460 0.027 0.000 0.976 368 Y HN 0.345 nan 8.280 nan 0.000 0.505 369 D N -0.751 119.690 120.400 0.069 0.000 2.117 369 D HA -0.160 4.480 4.640 -0.000 0.000 0.198 369 D C 2.431 178.708 176.300 -0.038 0.000 0.982 369 D CA 1.615 55.600 54.000 -0.026 0.000 0.828 369 D CB -0.494 40.346 40.800 0.067 0.000 0.967 369 D HN 0.302 nan 8.370 nan 0.000 0.464 370 V N 1.316 121.245 119.914 0.026 0.000 2.343 370 V HA -0.219 3.901 4.120 -0.000 0.000 0.247 370 V C 2.474 178.558 176.094 -0.016 0.000 1.051 370 V CA 1.775 64.094 62.300 0.032 0.000 1.036 370 V CB -0.760 31.104 31.823 0.069 0.000 0.654 370 V HN 0.179 nan 8.190 nan 0.000 0.451 371 A N -0.206 122.600 122.820 -0.023 0.000 1.873 371 A HA -0.175 4.145 4.320 -0.000 0.000 0.215 371 A C 2.366 179.868 177.584 -0.137 0.000 1.186 371 A CA 1.362 53.358 52.037 -0.068 0.000 0.616 371 A CB -0.481 18.527 19.000 0.013 0.000 0.823 371 A HN 0.365 nan 8.150 nan 0.000 0.442 372 R N -0.528 119.827 120.500 -0.242 0.000 2.105 372 R HA -0.131 4.209 4.340 -0.000 0.000 0.239 372 R C 2.307 178.524 176.300 -0.137 0.000 1.135 372 R CA 1.350 57.292 56.100 -0.263 0.000 0.967 372 R CB -1.210 28.820 30.300 -0.451 0.000 0.861 372 R HN 0.561 nan 8.270 nan 0.000 0.442 373 G N 0.012 108.754 108.800 -0.096 0.000 2.404 373 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.215 373 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.215 373 G C 1.546 176.431 174.900 -0.025 0.000 1.174 373 G CA 0.515 45.590 45.100 -0.041 0.000 0.780 373 G HN 0.167 nan 8.290 nan 0.000 0.537 374 V N 0.437 120.331 119.914 -0.033 0.000 2.427 374 V HA -0.213 3.906 4.120 -0.000 0.000 0.248 374 V C 2.877 178.945 176.094 -0.044 0.000 1.051 374 V CA 2.051 64.331 62.300 -0.032 0.000 1.048 374 V CB -0.438 31.324 31.823 -0.103 0.000 0.666 374 V HN 0.410 nan 8.190 nan 0.000 0.456 375 Q N -0.246 119.516 119.800 -0.063 0.000 2.046 375 Q HA -0.266 4.074 4.340 -0.000 0.000 0.200 375 Q C 2.340 178.323 176.000 -0.029 0.000 0.975 375 Q CA 1.921 57.692 55.803 -0.052 0.000 0.836 375 Q CB -0.190 28.505 28.738 -0.070 0.000 0.896 375 Q HN 0.502 nan 8.270 nan 0.000 0.428 376 K N 1.195 121.576 120.400 -0.032 0.000 2.026 376 K HA -0.137 4.182 4.320 -0.000 0.000 0.208 376 K C 1.714 178.319 176.600 0.008 0.000 1.048 376 K CA 1.159 57.437 56.287 -0.015 0.000 0.929 376 K CB -0.406 32.081 32.500 -0.021 0.000 0.713 376 K HN 0.196 nan 8.250 nan 0.000 0.439 377 I N 0.153 120.730 120.570 0.012 0.000 2.315 377 I HA -0.206 3.964 4.170 -0.000 0.000 0.248 377 I C 1.689 177.844 176.117 0.064 0.000 1.117 377 I CA 1.067 62.387 61.300 0.032 0.000 1.404 377 I CB 0.101 38.113 38.000 0.021 0.000 1.071 377 I HN 0.202 nan 8.210 nan 0.000 0.419 378 L N -0.219 121.032 121.223 0.047 0.000 2.217 378 L HA -0.174 4.166 4.340 -0.000 0.000 0.211 378 L C 2.447 179.385 176.870 0.113 0.000 1.107 378 L CA 0.964 55.853 54.840 0.081 0.000 0.783 378 L CB -0.429 41.650 42.059 0.034 0.000 0.919 378 L HN 0.298 nan 8.230 nan 0.000 0.442 379 Q N -0.188 119.648 119.800 0.059 0.000 2.049 379 Q HA -0.183 4.157 4.340 -0.000 0.000 0.198 379 Q C 1.750 177.776 176.000 0.043 0.000 0.971 379 Q CA 1.462 57.288 55.803 0.039 0.000 0.833 379 Q CB 0.008 28.753 28.738 0.011 0.000 0.896 379 Q HN 0.396 nan 8.270 nan 0.000 0.434 380 D N -0.148 120.283 120.400 0.051 0.000 2.149 380 D HA -0.183 4.457 4.640 -0.000 0.000 0.198 380 D C 1.544 177.885 176.300 0.068 0.000 0.990 380 D CA 0.939 54.965 54.000 0.045 0.000 0.839 380 D CB -0.284 40.542 40.800 0.043 0.000 0.948 380 D HN 0.254 nan 8.370 nan 0.000 0.460 381 Y N 1.500 121.791 120.300 -0.015 0.000 2.181 381 Y HA -0.171 4.379 4.550 -0.000 0.000 0.288 381 Y C 2.085 177.976 175.900 -0.016 0.000 1.146 381 Y CA 1.580 59.671 58.100 -0.015 0.000 1.164 381 Y CB 0.026 38.477 38.460 -0.014 0.000 0.982 381 Y HN -0.174 nan 8.280 nan 0.000 0.515 382 K N -0.739 119.612 120.400 -0.083 0.000 2.217 382 K HA -0.071 4.249 4.320 -0.000 0.000 0.202 382 K C 2.079 178.597 176.600 -0.138 0.000 1.051 382 K CA 1.102 57.294 56.287 -0.159 0.000 0.952 382 K CB -0.011 32.467 32.500 -0.036 0.000 0.736 382 K HN 0.271 nan 8.250 nan 0.000 0.453 383 S N 0.978 116.626 115.700 -0.085 0.000 2.395 383 S HA 0.019 4.489 4.470 -0.000 0.000 0.225 383 S C 1.523 176.072 174.600 -0.085 0.000 1.027 383 S CA 0.641 58.801 58.200 -0.067 0.000 0.965 383 S CB 0.055 63.235 63.200 -0.034 0.000 0.812 383 S HN 0.255 nan 8.310 nan 0.000 0.482 384 L N 1.241 122.401 121.223 -0.104 0.000 2.599 384 L HA 0.135 4.475 4.340 -0.000 0.000 0.230 384 L C 2.212 178.981 176.870 -0.167 0.000 1.141 384 L CA 0.311 55.089 54.840 -0.103 0.000 0.877 384 L CB -0.315 41.710 42.059 -0.057 0.000 1.009 384 L HN 0.304 nan 8.230 nan 0.000 0.447 385 Q N -0.085 119.566 119.800 -0.247 0.000 2.230 385 Q HA -0.149 4.191 4.340 -0.000 0.000 0.202 385 Q C 1.326 177.237 176.000 -0.148 0.000 0.963 385 Q CA 0.986 56.631 55.803 -0.264 0.000 0.866 385 Q CB 0.219 28.756 28.738 -0.336 0.000 0.931 385 Q HN 0.520 nan 8.270 nan 0.000 0.452 386 D N 0.537 120.870 120.400 -0.113 0.000 2.097 386 D HA -0.069 4.571 4.640 -0.000 0.000 0.197 386 D C 1.068 177.332 176.300 -0.061 0.000 0.984 386 D CA 0.821 54.776 54.000 -0.075 0.000 0.826 386 D CB 0.044 40.807 40.800 -0.060 0.000 0.973 386 D HN 0.211 nan 8.370 nan 0.000 0.460 397 S N -0.505 115.193 115.700 -0.003 0.000 2.606 397 S HA 0.204 4.674 4.470 -0.000 0.000 0.257 397 S C 0.721 175.320 174.600 -0.002 0.000 1.327 397 S CA -0.471 57.727 58.200 -0.003 0.000 0.984 397 S CB 0.939 64.138 63.200 -0.002 0.000 0.941 397 S HN 0.664 nan 8.310 nan 0.000 0.576 398 E N 0.615 120.813 120.200 -0.002 0.000 2.153 398 E HA -0.152 4.198 4.350 -0.000 0.000 0.194 398 E C 1.816 178.415 176.600 -0.001 0.000 0.988 398 E CA 1.244 57.643 56.400 -0.003 0.000 0.811 398 E CB -0.333 29.364 29.700 -0.004 0.000 0.746 398 E HN 0.887 nan 8.360 nan 0.000 0.466 399 E N 0.452 120.652 120.200 0.000 0.000 2.107 399 E HA -0.139 4.211 4.350 -0.000 0.000 0.191 399 E C 1.338 177.941 176.600 0.006 0.000 0.982 399 E CA 0.781 57.182 56.400 0.002 0.000 0.809 399 E CB 0.266 29.968 29.700 0.002 0.000 0.756 399 E HN 0.118 nan 8.360 nan 0.000 0.459 400 D N 0.371 120.775 120.400 0.006 0.000 2.137 400 D HA -0.089 4.551 4.640 -0.000 0.000 0.202 400 D C 1.672 177.983 176.300 0.018 0.000 0.970 400 D CA 0.801 54.808 54.000 0.012 0.000 0.837 400 D CB 0.028 40.832 40.800 0.007 0.000 0.981 400 D HN 0.109 nan 8.370 nan 0.000 0.475 401 K N 0.307 120.713 120.400 0.010 0.000 2.211 401 K HA -0.095 4.225 4.320 -0.000 0.000 0.203 401 K C 2.023 178.627 176.600 0.006 0.000 1.050 401 K CA 0.257 56.550 56.287 0.010 0.000 0.945 401 K CB 0.001 32.502 32.500 0.002 0.000 0.732 401 K HN 0.019 nan 8.250 nan 0.000 0.451 402 L N 1.017 122.242 121.223 0.002 0.000 2.109 402 L HA -0.130 4.210 4.340 -0.000 0.000 0.207 402 L C 2.289 179.157 176.870 -0.003 0.000 1.086 402 L CA 1.786 56.623 54.840 -0.005 0.000 0.760 402 L CB -0.506 41.550 42.059 -0.004 0.000 0.910 402 L HN 0.236 nan 8.230 nan 0.000 0.437 403 T N -5.152 109.408 114.554 0.011 0.000 3.014 403 T HA -0.041 4.309 4.350 -0.000 0.000 0.263 403 T C 1.815 176.537 174.700 0.036 0.000 1.078 403 T CA 1.024 63.136 62.100 0.019 0.000 1.135 403 T CB -0.704 68.182 68.868 0.030 0.000 0.895 403 T HN 0.093 nan 8.240 nan 0.000 0.480 404 V N 2.901 122.855 119.914 0.066 0.000 2.358 404 V HA -0.142 3.978 4.120 -0.000 0.000 0.246 404 V C 3.192 179.300 176.094 0.023 0.000 1.047 404 V CA 1.986 64.370 62.300 0.139 0.000 1.035 404 V CB -0.843 31.077 31.823 0.163 0.000 0.658 404 V HN 0.760 nan 8.190 nan 0.000 0.452 405 S N 0.266 115.958 115.700 -0.014 0.000 2.402 405 S HA -0.186 4.284 4.470 -0.000 0.000 0.229 405 S C 2.058 176.579 174.600 -0.132 0.000 1.021 405 S CA 1.099 59.258 58.200 -0.067 0.000 0.974 405 S CB -0.424 62.745 63.200 -0.051 0.000 0.800 405 S HN 0.542 nan 8.310 nan 0.000 0.484 406 R N 1.294 121.730 120.500 -0.107 0.000 2.075 406 R HA 0.162 4.502 4.340 -0.000 0.000 0.232 406 R C 2.698 178.901 176.300 -0.161 0.000 1.126 406 R CA 1.228 57.249 56.100 -0.131 0.000 0.963 406 R CB -0.627 29.634 30.300 -0.065 0.000 0.858 406 R HN 0.566 nan 8.270 nan 0.000 0.435 407 A N 0.846 123.570 122.820 -0.161 0.000 1.968 407 A HA -0.095 4.224 4.320 -0.000 0.000 0.217 407 A C 1.993 179.352 177.584 -0.376 0.000 1.169 407 A CA 0.872 52.777 52.037 -0.220 0.000 0.638 407 A CB -0.201 18.678 19.000 -0.201 0.000 0.812 407 A HN 0.181 nan 8.150 nan 0.000 0.446 408 R N -0.145 120.088 120.500 -0.445 0.000 2.075 408 R HA -0.051 4.289 4.340 -0.000 0.000 0.232 408 R C 1.941 178.090 176.300 -0.252 0.000 1.126 408 R CA 1.520 57.379 56.100 -0.401 0.000 0.963 408 R CB -0.217 29.905 30.300 -0.297 0.000 0.858 408 R HN 0.436 nan 8.270 nan 0.000 0.435 409 K N 0.240 120.457 120.400 -0.306 0.000 2.288 409 K HA -0.035 4.285 4.320 -0.000 0.000 0.201 409 K C 1.877 178.295 176.600 -0.303 0.000 1.048 409 K CA 0.819 56.826 56.287 -0.467 0.000 0.956 409 K CB 0.085 32.024 32.500 -0.936 0.000 0.746 409 K HN 0.178 nan 8.250 nan 0.000 0.461 410 I N 0.954 121.442 120.570 -0.137 0.000 2.500 410 I HA -0.220 3.950 4.170 -0.000 0.000 0.252 410 I C 2.291 178.546 176.117 0.231 0.000 1.142 410 I CA 0.944 62.328 61.300 0.140 0.000 1.451 410 I CB 0.017 38.118 38.000 0.169 0.000 1.093 410 I HN 0.176 nan 8.210 nan 0.000 0.430 411 Q N 0.365 120.193 119.800 0.046 0.000 2.096 411 Q HA -0.242 4.098 4.340 -0.000 0.000 0.204 411 Q C 2.314 178.390 176.000 0.127 0.000 0.982 411 Q CA 1.645 57.476 55.803 0.047 0.000 0.850 411 Q CB -0.063 28.634 28.738 -0.067 0.000 0.901 411 Q HN 0.376 nan 8.270 nan 0.000 0.422 412 R N -0.622 119.962 120.500 0.141 0.000 2.090 412 R HA -0.083 4.257 4.340 -0.000 0.000 0.228 412 R C 1.811 178.304 176.300 0.322 0.000 1.110 412 R CA 0.877 57.129 56.100 0.253 0.000 0.973 412 R CB -0.192 30.268 30.300 0.267 0.000 0.869 412 R HN 0.163 nan 8.270 nan 0.000 0.440 413 F N 0.617 120.648 119.950 0.136 0.000 2.407 413 F HA 0.025 4.552 4.527 -0.000 0.000 0.299 413 F C 1.330 177.248 175.800 0.195 0.000 1.097 413 F CA 0.896 58.923 58.000 0.045 0.000 1.422 413 F CB 0.064 38.913 39.000 -0.252 0.000 1.067 413 F HN -0.069 nan 8.300 nan 0.000 0.539 414 L N -0.427 121.013 121.223 0.361 0.000 2.376 414 L HA -0.059 4.281 4.340 -0.000 0.000 0.219 414 L C 1.533 178.450 176.870 0.079 0.000 1.133 414 L CA 0.460 55.462 54.840 0.270 0.000 0.816 414 L CB -0.855 41.319 42.059 0.193 0.000 0.933 414 L HN 0.125 nan 8.230 nan 0.000 0.449 415 S N -0.355 115.382 115.700 0.062 0.000 2.614 415 S HA 0.361 4.831 4.470 -0.000 0.000 0.265 415 S C -0.300 174.230 174.600 -0.117 0.000 1.303 415 S CA -0.462 57.727 58.200 -0.019 0.000 1.000 415 S CB 1.850 65.072 63.200 0.037 0.000 0.935 415 S HN 0.280 nan 8.310 nan 0.000 0.551 416 Q N 0.286 119.968 119.800 -0.196 0.000 2.518 416 Q HA 0.364 4.704 4.340 -0.000 0.000 0.254 416 Q C -3.204 172.627 176.000 -0.282 0.000 0.962 416 Q CA -1.494 54.192 55.803 -0.194 0.000 0.982 416 Q CB 2.048 30.726 28.738 -0.100 0.000 1.516 416 Q HN 0.519 nan 8.270 nan 0.000 0.426 417 P HA 0.259 nan 4.420 nan 0.000 0.280 417 P C -1.152 176.232 177.300 0.140 0.000 1.244 417 P CA 0.204 63.283 63.100 -0.035 0.000 0.784 417 P CB 0.311 32.111 31.700 0.166 0.000 0.913 418 F N 1.224 121.198 119.950 0.040 0.000 2.399 418 F HA 0.251 4.778 4.527 -0.000 0.000 0.334 418 F C 2.129 177.945 175.800 0.026 0.000 1.097 418 F CA -0.686 57.332 58.000 0.031 0.000 1.076 418 F CB 1.746 40.767 39.000 0.035 0.000 1.162 418 F HN 0.388 nan 8.300 nan 0.000 0.495 419 Q N 1.538 121.455 119.800 0.196 0.000 2.170 419 Q HA -0.129 4.211 4.340 -0.000 0.000 0.203 419 Q C 1.755 177.804 176.000 0.081 0.000 0.976 419 Q CA 1.413 57.270 55.803 0.090 0.000 0.858 419 Q CB 0.105 28.863 28.738 0.034 0.000 0.907 419 Q HN 0.647 nan 8.270 nan 0.000 0.433 420 V N 0.518 120.485 119.914 0.087 0.000 2.759 420 V HA -0.172 3.948 4.120 -0.000 0.000 0.256 420 V C 1.848 178.004 176.094 0.104 0.000 1.080 420 V CA 1.558 63.897 62.300 0.066 0.000 1.101 420 V CB -0.326 31.513 31.823 0.026 0.000 0.698 420 V HN 0.423 nan 8.190 nan 0.000 0.477 421 A N -1.223 121.695 122.820 0.164 0.000 2.308 421 A HA 0.086 4.406 4.320 -0.000 0.000 0.217 421 A C 1.900 179.579 177.584 0.158 0.000 1.216 421 A CA 0.165 52.307 52.037 0.175 0.000 0.864 421 A CB -0.232 18.877 19.000 0.182 0.000 0.902 421 A HN 0.544 nan 8.150 nan 0.000 0.499 422 E N -0.146 120.121 120.200 0.112 0.000 2.118 422 E HA -0.154 4.196 4.350 -0.000 0.000 0.195 422 E C 1.663 178.301 176.600 0.063 0.000 0.992 422 E CA 1.594 58.036 56.400 0.071 0.000 0.804 422 E CB -0.111 29.612 29.700 0.039 0.000 0.741 422 E HN 0.481 nan 8.360 nan 0.000 0.458 423 V N 0.384 120.347 119.914 0.082 0.000 2.719 423 V HA -0.159 3.961 4.120 -0.000 0.000 0.252 423 V C 1.795 177.959 176.094 0.117 0.000 1.065 423 V CA 1.197 63.542 62.300 0.075 0.000 1.086 423 V CB -0.404 31.459 31.823 0.066 0.000 0.700 423 V HN 0.210 nan 8.190 nan 0.000 0.467 424 F N 2.299 122.247 119.950 -0.004 0.000 2.188 424 F HA -0.069 4.458 4.527 -0.000 0.000 0.289 424 F C 2.616 178.411 175.800 -0.010 0.000 1.082 424 F CA 1.815 59.809 58.000 -0.011 0.000 1.282 424 F CB -0.544 38.444 39.000 -0.019 0.000 1.060 424 F HN 0.216 nan 8.300 nan 0.000 0.493 425 T N -2.666 111.828 114.554 -0.100 0.000 2.942 425 T HA 0.213 4.563 4.350 -0.000 0.000 0.265 425 T C 1.981 176.610 174.700 -0.118 0.000 1.062 425 T CA 1.087 63.071 62.100 -0.194 0.000 1.139 425 T CB -0.636 68.220 68.868 -0.020 0.000 0.883 425 T HN 0.734 nan 8.240 nan 0.000 0.468 426 G N 0.738 109.513 108.800 -0.041 0.000 2.253 426 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.251 426 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.251 426 G C 0.046 174.959 174.900 0.022 0.000 0.998 426 G CA 0.378 45.465 45.100 -0.020 0.000 0.621 426 G HN 0.965 nan 8.290 nan 0.000 0.524 427 H N 0.107 119.145 119.070 -0.053 0.000 2.511 427 H HA 0.674 5.230 4.556 -0.000 0.000 0.346 427 H C 0.602 175.916 175.328 -0.024 0.000 1.128 427 H CA -0.488 55.533 56.048 -0.044 0.000 1.342 427 H CB 0.879 30.604 29.762 -0.062 0.000 1.470 427 H HN 0.309 nan 8.280 nan 0.000 0.546 428 L N 3.806 124.717 121.223 -0.519 0.000 2.410 428 L HA 0.277 4.617 4.340 -0.000 0.000 0.273 428 L C 0.684 177.476 176.870 -0.130 0.000 1.152 428 L CA 0.225 54.896 54.840 -0.282 0.000 0.855 428 L CB 0.356 42.232 42.059 -0.305 0.000 1.129 428 L HN 0.840 nan 8.230 nan 0.000 0.463 429 G N 4.058 112.852 108.800 -0.009 0.000 2.476 429 G HA2 0.374 4.334 3.960 -0.000 0.000 0.269 429 G HA3 0.374 4.334 3.960 -0.000 0.000 0.269 429 G C -1.022 173.912 174.900 0.056 0.000 1.195 429 G CA -0.587 44.560 45.100 0.078 0.000 0.843 429 G HN 0.458 nan 8.290 nan 0.000 0.545 430 K N 1.026 121.486 120.400 0.100 0.000 2.426 430 K HA 0.341 4.661 4.320 -0.000 0.000 0.254 430 K C -1.450 175.196 176.600 0.078 0.000 0.936 430 K CA -0.970 55.355 56.287 0.063 0.000 0.801 430 K CB 2.494 35.020 32.500 0.044 0.000 1.139 430 K HN 0.321 nan 8.250 nan 0.000 0.424 431 L N 3.348 124.593 121.223 0.037 0.000 2.276 431 L HA 0.328 4.668 4.340 -0.000 0.000 0.286 431 L C -1.134 175.744 176.870 0.013 0.000 1.024 431 L CA -0.647 54.207 54.840 0.023 0.000 0.826 431 L CB 1.341 43.401 42.059 0.001 0.000 1.211 431 L HN 0.319 nan 8.230 nan 0.000 0.422 432 V N 7.748 127.672 119.914 0.017 0.000 2.350 432 V HA 0.459 4.579 4.120 -0.000 0.000 0.276 432 V C -1.835 174.265 176.094 0.010 0.000 1.028 432 V CA -1.474 60.831 62.300 0.009 0.000 0.860 432 V CB 0.858 32.680 31.823 -0.002 0.000 0.990 432 V HN 0.701 nan 8.190 nan 0.000 0.453 433 P HA 0.010 nan 4.420 nan 0.000 0.268 433 P C 0.826 178.136 177.300 0.015 0.000 1.208 433 P CA -0.253 62.850 63.100 0.005 0.000 0.777 433 P CB 1.094 32.795 31.700 0.001 0.000 0.875 434 L N 3.217 124.450 121.223 0.015 0.000 1.989 434 L HA -0.209 4.131 4.340 -0.000 0.000 0.211 434 L C 2.283 179.152 176.870 -0.002 0.000 1.071 434 L CA 2.106 56.952 54.840 0.010 0.000 0.749 434 L CB -0.997 41.081 42.059 0.032 0.000 0.890 434 L HN 0.309 nan 8.230 nan 0.000 0.431 435 K N -0.879 119.529 120.400 0.013 0.000 2.147 435 K HA -0.138 4.182 4.320 -0.000 0.000 0.205 435 K C 1.985 178.612 176.600 0.045 0.000 1.049 435 K CA 1.212 57.512 56.287 0.022 0.000 0.936 435 K CB -0.142 32.374 32.500 0.027 0.000 0.722 435 K HN 0.357 nan 8.250 nan 0.000 0.446 436 E N 0.310 120.540 120.200 0.050 0.000 2.106 436 E HA -0.118 4.232 4.350 -0.000 0.000 0.192 436 E C 2.026 178.701 176.600 0.125 0.000 0.984 436 E CA 1.196 57.641 56.400 0.076 0.000 0.806 436 E CB -0.178 29.556 29.700 0.057 0.000 0.750 436 E HN 0.266 nan 8.360 nan 0.000 0.458 437 T N 1.753 116.373 114.554 0.111 0.000 2.674 437 T HA -0.104 4.246 4.350 -0.000 0.000 0.265 437 T C 2.155 177.041 174.700 0.309 0.000 1.039 437 T CA 1.058 63.273 62.100 0.192 0.000 1.150 437 T CB -0.262 68.674 68.868 0.113 0.000 0.864 437 T HN 0.099 nan 8.240 nan 0.000 0.427 438 I N 1.728 122.379 120.570 0.136 0.000 2.127 438 I HA -0.287 3.883 4.170 -0.000 0.000 0.241 438 I C 2.646 178.872 176.117 0.182 0.000 1.075 438 I CA 1.742 63.105 61.300 0.105 0.000 1.334 438 I CB -0.444 37.528 38.000 -0.046 0.000 1.040 438 I HN 0.386 nan 8.210 nan 0.000 0.405 439 K N 1.297 121.783 120.400 0.144 0.000 2.057 439 K HA -0.098 4.222 4.320 -0.000 0.000 0.207 439 K C 2.160 178.856 176.600 0.160 0.000 1.049 439 K CA 1.630 57.996 56.287 0.133 0.000 0.931 439 K CB -0.982 31.576 32.500 0.098 0.000 0.714 439 K HN 0.314 nan 8.250 nan 0.000 0.440 440 G N 0.969 109.885 108.800 0.193 0.000 2.459 440 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.217 440 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.217 440 G C 1.189 176.084 174.900 -0.008 0.000 1.183 440 G CA 0.869 46.021 45.100 0.087 0.000 0.776 440 G HN 0.312 nan 8.290 nan 0.000 0.552 441 F N 0.612 120.727 119.950 0.274 0.000 2.234 441 F HA 0.017 4.544 4.527 -0.000 0.000 0.299 441 F C 2.888 178.749 175.800 0.103 0.000 1.087 441 F CA 1.439 59.557 58.000 0.198 0.000 1.340 441 F CB -0.121 39.000 39.000 0.202 0.000 1.031 441 F HN 0.183 nan 8.300 nan 0.000 0.500 442 Q N 0.346 120.303 119.800 0.262 0.000 2.084 442 Q HA -0.239 4.101 4.340 -0.000 0.000 0.202 442 Q C 2.088 178.160 176.000 0.120 0.000 0.978 442 Q CA 1.630 57.529 55.803 0.160 0.000 0.844 442 Q CB -0.116 28.698 28.738 0.127 0.000 0.898 442 Q HN 0.476 nan 8.270 nan 0.000 0.426 443 Q N -0.151 119.728 119.800 0.132 0.000 2.167 443 Q HA -0.113 4.227 4.340 -0.000 0.000 0.202 443 Q C 2.041 178.121 176.000 0.133 0.000 0.970 443 Q CA 1.149 57.025 55.803 0.121 0.000 0.855 443 Q CB 0.046 28.913 28.738 0.215 0.000 0.911 443 Q HN 0.498 nan 8.270 nan 0.000 0.438 444 I N 0.281 120.942 120.570 0.152 0.000 2.286 444 I HA -0.247 3.923 4.170 -0.000 0.000 0.245 444 I C 1.998 178.144 176.117 0.049 0.000 1.104 444 I CA 0.931 62.286 61.300 0.092 0.000 1.397 444 I CB -0.191 37.794 38.000 -0.025 0.000 1.072 444 I HN 0.162 nan 8.210 nan 0.000 0.417 445 L N 0.654 121.920 121.223 0.071 0.000 2.275 445 L HA -0.115 4.225 4.340 -0.000 0.000 0.215 445 L C 2.476 179.366 176.870 0.033 0.000 1.119 445 L CA 0.918 55.789 54.840 0.053 0.000 0.790 445 L CB -0.465 41.636 42.059 0.071 0.000 0.919 445 L HN 0.259 nan 8.230 nan 0.000 0.443 446 A N -0.696 122.143 122.820 0.031 0.000 2.238 446 A HA 0.342 4.662 4.320 -0.000 0.000 0.210 446 A C 1.574 179.152 177.584 -0.010 0.000 1.179 446 A CA 0.585 52.628 52.037 0.009 0.000 0.827 446 A CB -0.092 18.910 19.000 0.005 0.000 0.856 446 A HN 0.427 nan 8.150 nan 0.000 0.488 447 G N 0.079 108.876 108.800 -0.004 0.000 2.256 447 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.272 447 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.272 447 G C 0.245 175.110 174.900 -0.059 0.000 1.076 447 G CA 0.513 45.605 45.100 -0.013 0.000 0.882 447 G HN 0.602 nan 8.290 nan 0.000 0.497 448 E N -1.332 118.780 120.200 -0.146 0.000 2.481 448 E HA 0.125 4.475 4.350 -0.000 0.000 0.195 448 E C 0.642 176.911 176.600 -0.552 0.000 1.047 448 E CA 0.453 56.626 56.400 -0.379 0.000 0.867 448 E CB 0.135 29.506 29.700 -0.549 0.000 0.858 448 E HN 0.800 nan 8.360 nan 0.000 0.513 449 Y N -0.587 119.740 120.300 0.045 0.000 2.715 449 Y HA 0.146 4.696 4.550 -0.000 0.000 0.255 449 Y C 0.828 176.777 175.900 0.082 0.000 1.139 449 Y CA -0.554 57.610 58.100 0.107 0.000 1.151 449 Y CB 0.712 39.316 38.460 0.240 0.000 1.201 449 Y HN -0.079 nan 8.280 nan 0.000 0.556 450 D N -0.419 120.057 120.400 0.126 0.000 2.264 450 D HA -0.158 4.482 4.640 -0.000 0.000 0.208 450 D C 1.774 178.121 176.300 0.077 0.000 0.966 450 D CA 1.309 55.348 54.000 0.065 0.000 0.864 450 D CB 0.038 40.852 40.800 0.024 0.000 0.933 450 D HN 0.515 nan 8.370 nan 0.000 0.499 451 H N -0.162 118.938 119.070 0.051 0.000 2.529 451 H HA 0.119 4.675 4.556 -0.000 0.000 0.277 451 H C 0.642 176.018 175.328 0.080 0.000 0.999 451 H CA 0.392 56.468 56.048 0.047 0.000 1.256 451 H CB 0.545 30.324 29.762 0.028 0.000 1.402 451 H HN 0.100 nan 8.280 nan 0.000 0.566 452 L N 2.206 123.577 121.223 0.248 0.000 2.360 452 L HA 0.253 4.593 4.340 -0.000 0.000 0.271 452 L C -1.695 175.300 176.870 0.209 0.000 1.057 452 L CA -1.942 53.044 54.840 0.242 0.000 0.803 452 L CB 1.315 43.568 42.059 0.324 0.000 1.207 452 L HN 0.053 nan 8.230 nan 0.000 0.445 453 P HA -0.014 nan 4.420 nan 0.000 0.274 453 P C -0.018 177.398 177.300 0.192 0.000 1.264 453 P CA -0.180 63.000 63.100 0.134 0.000 0.795 453 P CB 0.954 32.713 31.700 0.099 0.000 1.064 454 E N -0.421 119.844 120.200 0.109 0.000 2.075 454 E HA -0.123 4.227 4.350 -0.000 0.000 0.190 454 E C 1.495 178.195 176.600 0.167 0.000 0.969 454 E CA 0.490 56.934 56.400 0.074 0.000 0.815 454 E CB -0.109 29.589 29.700 -0.003 0.000 0.776 454 E HN 0.223 nan 8.360 nan 0.000 0.457 455 Q N -0.102 119.774 119.800 0.125 0.000 2.466 455 Q HA 0.098 4.438 4.340 -0.000 0.000 0.210 455 Q C 1.291 177.395 176.000 0.173 0.000 0.961 455 Q CA 0.652 56.534 55.803 0.132 0.000 0.953 455 Q CB 0.799 29.572 28.738 0.059 0.000 1.011 455 Q HN 0.345 nan 8.270 nan 0.000 0.516 456 A N -0.948 121.983 122.820 0.185 0.000 2.169 456 A HA 0.020 4.340 4.320 -0.000 0.000 0.212 456 A C 1.058 178.595 177.584 -0.079 0.000 1.153 456 A CA 0.324 52.383 52.037 0.036 0.000 0.756 456 A CB -0.176 18.796 19.000 -0.047 0.000 0.813 456 A HN 0.202 nan 8.150 nan 0.000 0.471 457 F N -2.428 117.537 119.950 0.025 0.000 2.695 457 F HA 0.246 4.772 4.527 -0.000 0.000 0.303 457 F C 0.430 176.327 175.800 0.162 0.000 1.091 457 F CA -0.600 57.431 58.000 0.052 0.000 1.300 457 F CB -0.034 38.959 39.000 -0.011 0.000 1.071 457 F HN 0.285 nan 8.300 nan 0.000 0.578 458 Y N 1.767 122.152 120.300 0.143 0.000 2.365 458 Y HA 0.372 4.922 4.550 -0.000 0.000 0.340 458 Y C 0.538 176.442 175.900 0.007 0.000 1.016 458 Y CA -1.589 56.555 58.100 0.072 0.000 1.196 458 Y CB 0.213 38.699 38.460 0.042 0.000 1.167 458 Y HN 0.081 nan 8.280 nan 0.000 0.509 459 M N 5.908 125.238 119.600 -0.450 0.000 2.450 459 M HA -0.156 4.324 4.480 -0.000 0.000 0.192 459 M C -1.182 174.987 176.300 -0.219 0.000 0.753 459 M CA 0.915 55.926 55.300 -0.482 0.000 0.532 459 M CB -2.599 29.520 32.600 -0.803 0.000 1.263 459 M HN 0.431 nan 8.290 nan 0.000 0.885 460 V N -2.965 116.893 119.914 -0.093 0.000 3.155 460 V HA 1.093 5.213 4.120 -0.000 0.000 0.313 460 V C 0.767 176.841 176.094 -0.034 0.000 1.162 460 V CA -0.036 62.256 62.300 -0.014 0.000 1.048 460 V CB 1.690 33.522 31.823 0.014 0.000 1.092 460 V HN 0.431 nan 8.190 nan 0.000 0.447 461 G N 0.231 109.030 108.800 -0.002 0.000 2.964 461 G HA2 0.439 4.399 3.960 -0.000 0.000 0.191 461 G HA3 0.439 4.399 3.960 -0.000 0.000 0.191 461 G C -2.167 172.722 174.900 -0.018 0.000 1.978 461 G CA -0.185 44.900 45.100 -0.024 0.000 0.861 461 G HN 0.773 nan 8.290 nan 0.000 0.584 462 P HA 0.172 nan 4.420 nan 0.000 0.274 462 P C 0.734 178.128 177.300 0.156 0.000 1.246 462 P CA -0.450 62.710 63.100 0.101 0.000 0.795 462 P CB 1.749 33.479 31.700 0.050 0.000 1.006 463 I N 0.547 121.221 120.570 0.173 0.000 2.530 463 I HA -0.269 3.901 4.170 -0.000 0.000 0.257 463 I C 1.721 177.685 176.117 -0.255 0.000 1.179 463 I CA 1.613 62.810 61.300 -0.172 0.000 1.440 463 I CB -0.143 37.611 38.000 -0.409 0.000 1.087 463 I HN 0.258 nan 8.210 nan 0.000 0.440 464 E N 0.668 120.806 120.200 -0.103 0.000 2.153 464 E HA -0.229 4.121 4.350 -0.000 0.000 0.194 464 E C 1.972 178.506 176.600 -0.110 0.000 0.988 464 E CA 1.144 57.490 56.400 -0.089 0.000 0.811 464 E CB -0.129 29.552 29.700 -0.032 0.000 0.746 464 E HN 0.563 nan 8.360 nan 0.000 0.466 465 E N -0.155 119.991 120.200 -0.090 0.000 2.208 465 E HA -0.080 4.270 4.350 -0.000 0.000 0.193 465 E C 1.933 178.440 176.600 -0.155 0.000 0.988 465 E CA 0.718 57.069 56.400 -0.081 0.000 0.828 465 E CB -0.045 29.639 29.700 -0.028 0.000 0.763 465 E HN 0.270 nan 8.360 nan 0.000 0.478 466 A N 0.828 123.478 122.820 -0.283 0.000 1.930 466 A HA -0.116 4.204 4.320 -0.000 0.000 0.217 466 A C 2.429 179.715 177.584 -0.496 0.000 1.175 466 A CA 0.923 52.641 52.037 -0.532 0.000 0.627 466 A CB -0.422 17.938 19.000 -1.065 0.000 0.815 466 A HN 0.106 nan 8.150 nan 0.000 0.443 467 V N -0.204 119.474 119.914 -0.394 0.000 2.427 467 V HA -0.195 3.925 4.120 -0.000 0.000 0.248 467 V C 2.963 178.981 176.094 -0.126 0.000 1.051 467 V CA 1.771 63.941 62.300 -0.217 0.000 1.048 467 V CB -1.154 30.603 31.823 -0.109 0.000 0.666 467 V HN 0.585 nan 8.190 nan 0.000 0.456 468 A N -0.440 122.311 122.820 -0.115 0.000 1.968 468 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 468 A C 2.339 179.886 177.584 -0.062 0.000 1.169 468 A CA 1.781 53.776 52.037 -0.069 0.000 0.638 468 A CB -0.368 18.600 19.000 -0.053 0.000 0.812 468 A HN 0.489 nan 8.150 nan 0.000 0.446 469 K N -0.373 119.973 120.400 -0.089 0.000 2.167 469 K HA 0.056 4.375 4.320 -0.000 0.000 0.203 469 K C 2.067 178.634 176.600 -0.054 0.000 1.052 469 K CA 0.865 57.114 56.287 -0.064 0.000 0.956 469 K CB -0.212 32.243 32.500 -0.075 0.000 0.735 469 K HN 0.373 nan 8.250 nan 0.000 0.451 470 A N 1.384 124.155 122.820 -0.082 0.000 1.930 470 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 470 A C 1.406 178.983 177.584 -0.012 0.000 1.175 470 A CA 1.811 53.825 52.037 -0.039 0.000 0.627 470 A CB -0.349 18.624 19.000 -0.046 0.000 0.815 470 A HN 0.304 nan 8.150 nan 0.000 0.443 471 D N -0.410 119.978 120.400 -0.020 0.000 2.178 471 D HA -0.073 4.567 4.640 -0.000 0.000 0.202 471 D C 1.799 178.096 176.300 -0.004 0.000 0.974 471 D CA 0.854 54.849 54.000 -0.008 0.000 0.841 471 D CB -0.075 40.718 40.800 -0.013 0.000 0.953 471 D HN 0.169 nan 8.370 nan 0.000 0.478 472 K N 0.179 120.575 120.400 -0.008 0.000 2.366 472 K HA 0.114 4.434 4.320 -0.000 0.000 0.198 472 K C 1.278 177.881 176.600 0.004 0.000 1.044 472 K CA 0.109 56.395 56.287 -0.002 0.000 0.973 472 K CB 0.114 32.613 32.500 -0.002 0.000 0.767 472 K HN 0.241 nan 8.250 nan 0.000 0.475 473 L N 0.641 121.868 121.223 0.006 0.000 2.685 473 L HA 0.178 4.517 4.340 -0.000 0.000 0.233 473 L C 0.805 177.683 176.870 0.014 0.000 1.173 473 L CA -0.442 54.405 54.840 0.012 0.000 0.961 473 L CB 0.182 42.252 42.059 0.017 0.000 1.217 473 L HN -0.085 nan 8.230 nan 0.000 0.478 474 A N 0.000 122.827 122.820 0.012 0.000 2.254 474 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 474 A CA 0.000 52.045 52.037 0.014 0.000 0.836 474 A CB 0.000 19.008 19.000 0.013 0.000 0.831 474 A HN 0.000 nan 8.150 nan 0.000 0.486