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 1h8h_1_D DATA FIRST_RESID 9 DATA SEQUENCE TTGRIVAVIG AVVDVQFDEG LPPILNALEV QGRETRLVLE VAQHLGESTV DATA SEQUENCE RTIAMDGTEG LVRGQKVLDS GAPIRIPVGP ETLGRIMNVI GEPIDERGPI DATA SEQUENCE KTKQFAAIHA EAPEFVEMSV EQEILVTGIK VVDLLAPYAK GGKIGLFGGA DATA SEQUENCE GVGKTVLIME LINNVAKAHG GYSVFAGVGE RTREGNDLYH EMIESGVINL DATA SEQUENCE KDATSKVALV YGQMNEPPGA RARVALTGLT VAEYFRDQEG QDVLLFIDNI DATA SEQUENCE FRFTQAGSEV SALLGRIPSA VGYQPTLATD MGTMQERITT TKKGSITSVQ DATA SEQUENCE AIYVPADDLT DPAPATTFAH LDATTVLSRA IAELGIYPAV DPLDSTSRIM DATA SEQUENCE DPNIVGSEHY DVARGVQKIL QDYKSLQDII AILGMDELSE EDKLTVSRAR DATA SEQUENCE KIQRFLSQPF QVAEVFTGHL GKLVPLKETI KGFQQILAGE YDHLPEQAFY DATA SEQUENCE MVGPIEEAVA KADKLAE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 9 T HA 0.000 nan 4.350 nan 0.000 0.228 9 T C 0.000 174.846 174.700 0.244 0.000 1.109 9 T CA 0.000 62.184 62.100 0.141 0.000 1.349 9 T CB 0.000 68.947 68.868 0.132 0.000 0.612 10 T N 1.420 116.095 114.554 0.201 0.000 2.829 10 T HA 0.821 5.171 4.350 -0.000 0.000 0.280 10 T C 0.484 175.091 174.700 -0.156 0.000 0.999 10 T CA -0.427 61.713 62.100 0.066 0.000 0.983 10 T CB 1.670 70.537 68.868 -0.002 0.000 0.968 10 T HN 1.117 nan 8.240 nan 0.000 0.446 11 G N 1.706 110.116 108.800 -0.650 0.000 3.042 11 G HA2 0.791 4.751 3.960 -0.000 0.000 0.278 11 G HA3 0.791 4.751 3.960 -0.000 0.000 0.278 11 G C -1.423 173.140 174.900 -0.561 0.000 1.371 11 G CA -1.093 43.346 45.100 -1.102 0.000 1.009 11 G HN 0.634 nan 8.290 nan 0.000 0.523 12 R N -0.721 119.515 120.500 -0.439 0.000 2.628 12 R HA 0.446 4.786 4.340 -0.000 0.000 0.288 12 R C -0.547 175.641 176.300 -0.187 0.000 0.980 12 R CA -0.801 55.155 56.100 -0.240 0.000 0.891 12 R CB 2.457 32.664 30.300 -0.155 0.000 1.188 12 R HN 0.382 nan 8.270 nan 0.000 0.450 13 I N 2.653 123.148 120.570 -0.126 0.000 2.683 13 I HA -0.102 4.068 4.170 -0.000 0.000 0.286 13 I C 1.361 177.442 176.117 -0.060 0.000 1.175 13 I CA 0.263 61.516 61.300 -0.078 0.000 1.429 13 I CB 0.837 38.807 38.000 -0.050 0.000 1.371 13 I HN 0.598 nan 8.210 nan 0.000 0.569 14 V N 2.822 122.711 119.914 -0.043 0.000 3.477 14 V HA 0.688 4.808 4.120 -0.000 0.000 0.297 14 V C 0.330 176.413 176.094 -0.018 0.000 1.433 14 V CA 0.343 62.624 62.300 -0.031 0.000 1.052 14 V CB 0.165 31.971 31.823 -0.028 0.000 0.895 14 V HN 0.778 nan 8.190 nan 0.000 0.438 15 A N -0.353 122.459 122.820 -0.014 0.000 2.594 15 A HA 0.759 5.079 4.320 -0.000 0.000 0.296 15 A C -1.384 176.197 177.584 -0.005 0.000 1.056 15 A CA -0.240 51.792 52.037 -0.008 0.000 0.693 15 A CB 1.829 20.827 19.000 -0.003 0.000 1.278 15 A HN 0.716 nan 8.150 nan 0.000 0.408 16 V N 2.639 122.550 119.914 -0.005 0.000 2.488 16 V HA 0.515 4.635 4.120 -0.000 0.000 0.293 16 V C -0.775 175.317 176.094 -0.002 0.000 1.027 16 V CA -0.076 62.222 62.300 -0.003 0.000 0.862 16 V CB 1.237 33.057 31.823 -0.005 0.000 1.008 16 V HN 0.699 nan 8.190 nan 0.000 0.428 17 I N 4.270 124.839 120.570 -0.001 0.000 2.476 17 I HA 0.626 4.796 4.170 -0.000 0.000 0.281 17 I C 1.091 177.207 176.117 -0.002 0.000 1.040 17 I CA -0.135 61.164 61.300 -0.001 0.000 1.094 17 I CB 1.499 39.498 38.000 -0.001 0.000 1.219 17 I HN 0.818 nan 8.210 nan 0.000 0.450 18 G N 4.887 113.686 108.800 -0.003 0.000 2.634 18 G HA2 -0.382 3.577 3.960 -0.000 0.000 0.309 18 G HA3 -0.382 3.577 3.960 -0.000 0.000 0.309 18 G C 0.950 175.848 174.900 -0.002 0.000 1.265 18 G CA 0.648 45.746 45.100 -0.003 0.000 0.998 18 G HN 0.844 nan 8.290 nan 0.000 0.551 19 A N -0.953 121.865 122.820 -0.004 0.000 2.168 19 A HA 0.495 4.815 4.320 -0.000 0.000 0.215 19 A C 1.128 178.713 177.584 0.002 0.000 1.152 19 A CA 1.824 53.860 52.037 -0.002 0.000 0.716 19 A CB -0.062 18.934 19.000 -0.007 0.000 0.794 19 A HN 1.403 nan 8.150 nan 0.000 0.465 20 V N 1.203 121.118 119.914 0.001 0.000 2.350 20 V HA 0.387 4.507 4.120 -0.000 0.000 0.276 20 V C -0.601 175.499 176.094 0.009 0.000 1.028 20 V CA -0.402 61.901 62.300 0.006 0.000 0.860 20 V CB 1.191 33.016 31.823 0.003 0.000 0.990 20 V HN 0.085 nan 8.190 nan 0.000 0.453 21 V N 3.935 123.858 119.914 0.015 0.000 2.540 21 V HA 0.476 4.596 4.120 -0.000 0.000 0.302 21 V C -0.660 175.448 176.094 0.025 0.000 1.035 21 V CA -0.813 61.495 62.300 0.014 0.000 0.873 21 V CB 2.142 33.973 31.823 0.013 0.000 0.992 21 V HN 0.760 nan 8.190 nan 0.000 0.428 22 D N 3.014 123.425 120.400 0.019 0.000 2.210 22 D HA 0.574 5.214 4.640 -0.000 0.000 0.249 22 D C -0.504 175.807 176.300 0.019 0.000 1.078 22 D CA 0.029 54.046 54.000 0.027 0.000 0.875 22 D CB 2.094 42.905 40.800 0.018 0.000 1.175 22 D HN 0.275 nan 8.370 nan 0.000 0.440 23 V N 2.230 122.173 119.914 0.049 0.000 2.588 23 V HA 0.331 4.451 4.120 -0.000 0.000 0.304 23 V C -0.181 175.938 176.094 0.042 0.000 1.042 23 V CA -0.911 61.396 62.300 0.012 0.000 0.877 23 V CB 1.908 33.779 31.823 0.079 0.000 0.996 23 V HN 0.397 nan 8.190 nan 0.000 0.425 24 Q N 2.737 122.485 119.800 -0.088 0.000 2.282 24 Q HA 0.712 5.052 4.340 -0.000 0.000 0.260 24 Q C -1.978 173.935 176.000 -0.144 0.000 0.964 24 Q CA -0.418 55.370 55.803 -0.026 0.000 0.880 24 Q CB 1.655 30.369 28.738 -0.040 0.000 1.286 24 Q HN 0.627 nan 8.270 nan 0.000 0.445 25 F N 1.231 121.152 119.950 -0.048 0.000 2.563 25 F HA 0.336 4.863 4.527 -0.000 0.000 0.316 25 F C 0.232 176.008 175.800 -0.041 0.000 1.076 25 F CA -0.627 57.347 58.000 -0.043 0.000 0.921 25 F CB 2.203 41.171 39.000 -0.052 0.000 1.209 25 F HN 0.603 nan 8.300 nan 0.000 0.462 26 D N 0.169 120.658 120.400 0.149 0.000 2.474 26 D HA 0.071 4.711 4.640 -0.000 0.000 0.213 26 D C 0.663 177.005 176.300 0.069 0.000 1.120 26 D CA 0.397 54.441 54.000 0.074 0.000 0.836 26 D CB 0.704 41.523 40.800 0.031 0.000 1.019 26 D HN 0.653 nan 8.370 nan 0.000 0.507 27 E N 0.782 121.045 120.200 0.105 0.000 3.536 27 E HA 0.404 4.754 4.350 -0.000 0.000 0.381 27 E C 0.997 177.619 176.600 0.037 0.000 0.471 27 E CA -0.633 55.807 56.400 0.067 0.000 2.090 27 E CB -0.176 29.572 29.700 0.080 0.000 2.208 27 E HN -0.089 nan 8.360 nan 0.000 0.475 28 G N 1.073 109.879 108.800 0.011 0.000 2.372 28 G HA2 0.401 4.361 3.960 -0.000 0.000 0.283 28 G HA3 0.401 4.361 3.960 -0.000 0.000 0.283 28 G C -0.866 173.933 174.900 -0.168 0.000 1.177 28 G CA -0.480 44.587 45.100 -0.056 0.000 0.842 28 G HN -0.010 nan 8.290 nan 0.000 0.503 29 L N 4.761 125.869 121.223 -0.191 0.000 2.313 29 L HA 0.352 4.691 4.340 -0.000 0.000 0.282 29 L C -1.612 175.059 176.870 -0.331 0.000 1.092 29 L CA -2.333 52.293 54.840 -0.356 0.000 0.831 29 L CB 0.868 42.727 42.059 -0.334 0.000 1.159 29 L HN 0.318 nan 8.230 nan 0.000 0.442 30 P HA 0.149 nan 4.420 nan 0.000 0.264 30 P C -2.646 174.660 177.300 0.009 0.000 1.193 30 P CA -1.051 61.883 63.100 -0.275 0.000 0.763 30 P CB -0.243 31.230 31.700 -0.379 0.000 0.810 31 P HA 0.155 nan 4.420 nan 0.000 0.272 31 P C 0.501 177.794 177.300 -0.012 0.000 1.223 31 P CA -0.117 63.003 63.100 0.034 0.000 0.784 31 P CB 0.516 32.199 31.700 -0.028 0.000 0.923 32 I N 2.528 123.009 120.570 -0.147 0.000 2.815 32 I HA -0.135 4.035 4.170 -0.000 0.000 0.291 32 I C 1.456 177.501 176.117 -0.120 0.000 1.209 32 I CA 0.672 61.884 61.300 -0.147 0.000 1.431 32 I CB -0.316 37.547 38.000 -0.229 0.000 1.351 32 I HN 0.434 nan 8.210 nan 0.000 0.585 33 L N 1.677 122.830 121.223 -0.116 0.000 4.586 33 L HA -0.238 4.102 4.340 -0.000 0.000 0.401 33 L C 0.171 177.018 176.870 -0.038 0.000 0.854 33 L CA 0.001 54.747 54.840 -0.157 0.000 1.918 33 L CB -1.717 40.150 42.059 -0.319 0.000 1.631 33 L HN 0.684 nan 8.230 nan 0.000 0.579 34 N N 1.030 119.719 118.700 -0.018 0.000 2.444 34 N HA 0.518 5.258 4.740 -0.000 0.000 0.255 34 N C 0.253 175.784 175.510 0.036 0.000 1.255 34 N CA 0.839 53.894 53.050 0.009 0.000 0.933 34 N CB 0.861 39.340 38.487 -0.013 0.000 1.143 34 N HN 0.293 nan 8.380 nan 0.000 0.453 35 A N 2.103 124.949 122.820 0.043 0.000 2.260 35 A HA 0.533 4.853 4.320 -0.000 0.000 0.308 35 A C -0.336 177.280 177.584 0.052 0.000 1.254 35 A CA -0.550 51.518 52.037 0.052 0.000 0.874 35 A CB -0.077 18.953 19.000 0.050 0.000 1.153 35 A HN 0.594 nan 8.150 nan 0.000 0.527 36 L N 1.742 123.008 121.223 0.071 0.000 2.352 36 L HA 0.568 4.908 4.340 -0.000 0.000 0.269 36 L C -0.021 176.893 176.870 0.073 0.000 1.034 36 L CA -0.705 54.195 54.840 0.100 0.000 0.806 36 L CB 1.401 43.558 42.059 0.165 0.000 1.244 36 L HN 0.583 nan 8.230 nan 0.000 0.447 37 E N 1.793 122.034 120.200 0.068 0.000 2.220 37 E HA 0.255 4.605 4.350 -0.000 0.000 0.256 37 E C -1.051 175.567 176.600 0.030 0.000 0.881 37 E CA -0.568 55.856 56.400 0.040 0.000 0.766 37 E CB 2.466 32.183 29.700 0.028 0.000 1.187 37 E HN 0.203 nan 8.360 nan 0.000 0.419 38 V N 4.172 124.099 119.914 0.021 0.000 2.493 38 V HA -0.078 4.042 4.120 -0.000 0.000 0.292 38 V C 0.695 176.789 176.094 -0.001 0.000 1.016 38 V CA 0.167 62.470 62.300 0.005 0.000 1.097 38 V CB 0.401 32.226 31.823 0.003 0.000 0.947 38 V HN 0.469 nan 8.190 nan 0.000 0.479 39 Q N 2.979 122.773 119.800 -0.010 0.000 2.299 39 Q HA 0.450 4.790 4.340 -0.000 0.000 0.246 39 Q C 0.984 176.976 176.000 -0.013 0.000 0.935 39 Q CA 0.547 56.344 55.803 -0.011 0.000 0.887 39 Q CB 1.352 30.081 28.738 -0.016 0.000 1.223 39 Q HN 1.146 nan 8.270 nan 0.000 0.439 40 G N 2.263 111.057 108.800 -0.009 0.000 2.356 40 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.233 40 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.233 40 G C -0.320 174.575 174.900 -0.007 0.000 1.105 40 G CA -0.382 44.712 45.100 -0.010 0.000 0.861 40 G HN 0.416 nan 8.290 nan 0.000 0.493 41 R N -0.612 119.886 120.500 -0.004 0.000 2.574 41 R HA 0.339 4.679 4.340 -0.000 0.000 0.288 41 R C 0.274 176.574 176.300 -0.001 0.000 1.004 41 R CA -0.947 55.151 56.100 -0.002 0.000 0.895 41 R CB 1.328 31.627 30.300 -0.000 0.000 1.191 41 R HN 0.073 nan 8.270 nan 0.000 0.444 42 E N 0.789 120.989 120.200 -0.000 0.000 2.338 42 E HA -0.041 4.309 4.350 -0.000 0.000 0.197 42 E C 0.513 177.114 176.600 0.002 0.000 1.007 42 E CA 1.029 57.429 56.400 0.000 0.000 0.849 42 E CB 0.236 29.936 29.700 -0.000 0.000 0.774 42 E HN 0.626 nan 8.360 nan 0.000 0.506 43 T N -1.559 112.997 114.554 0.003 0.000 2.908 43 T HA 0.489 4.839 4.350 -0.000 0.000 0.290 43 T C 0.012 174.716 174.700 0.006 0.000 1.034 43 T CA -1.063 61.040 62.100 0.005 0.000 1.010 43 T CB 2.366 71.237 68.868 0.005 0.000 1.068 43 T HN -0.083 nan 8.240 nan 0.000 0.481 44 R N 1.375 121.880 120.500 0.009 0.000 2.288 44 R HA 0.413 4.753 4.340 -0.000 0.000 0.330 44 R C -0.980 175.328 176.300 0.013 0.000 1.069 44 R CA -0.644 55.463 56.100 0.010 0.000 0.941 44 R CB -0.273 30.034 30.300 0.012 0.000 0.998 44 R HN 0.563 nan 8.270 nan 0.000 0.452 45 L N 6.314 127.545 121.223 0.013 0.000 2.277 45 L HA 0.344 4.684 4.340 -0.000 0.000 0.284 45 L C -1.207 175.675 176.870 0.021 0.000 1.028 45 L CA -0.487 54.362 54.840 0.015 0.000 0.835 45 L CB 1.610 43.676 42.059 0.011 0.000 1.215 45 L HN 0.409 nan 8.230 nan 0.000 0.425 46 V N 6.282 126.211 119.914 0.025 0.000 2.481 46 V HA 0.413 4.533 4.120 -0.000 0.000 0.286 46 V C 0.118 176.234 176.094 0.037 0.000 1.042 46 V CA -0.534 61.785 62.300 0.033 0.000 0.928 46 V CB 1.652 33.496 31.823 0.034 0.000 0.986 46 V HN 0.570 nan 8.190 nan 0.000 0.462 47 L N 4.198 125.450 121.223 0.047 0.000 2.325 47 L HA 0.546 4.886 4.340 -0.000 0.000 0.281 47 L C -0.033 176.874 176.870 0.062 0.000 1.004 47 L CA -0.324 54.548 54.840 0.053 0.000 0.823 47 L CB 1.869 43.966 42.059 0.063 0.000 1.236 47 L HN 0.674 nan 8.230 nan 0.000 0.415 48 E N 2.645 122.880 120.200 0.059 0.000 2.174 48 E HA 0.327 4.677 4.350 -0.000 0.000 0.282 48 E C -0.937 175.693 176.600 0.050 0.000 0.992 48 E CA -0.753 55.685 56.400 0.063 0.000 0.803 48 E CB 1.714 31.465 29.700 0.085 0.000 1.090 48 E HN 0.300 nan 8.360 nan 0.000 0.396 49 V N 4.145 124.085 119.914 0.044 0.000 2.585 49 V HA 0.096 4.215 4.120 -0.000 0.000 0.296 49 V C 0.914 177.015 176.094 0.012 0.000 1.035 49 V CA 0.807 63.135 62.300 0.047 0.000 1.084 49 V CB 0.895 32.752 31.823 0.058 0.000 0.953 49 V HN 0.912 nan 8.190 nan 0.000 0.483 50 A N 3.954 126.787 122.820 0.022 0.000 2.013 50 A HA 0.334 4.654 4.320 -0.000 0.000 0.204 50 A C 0.725 178.298 177.584 -0.018 0.000 1.262 50 A CA 0.303 52.334 52.037 -0.009 0.000 0.800 50 A CB 0.339 19.339 19.000 -0.001 0.000 0.909 50 A HN 0.791 nan 8.150 nan 0.000 0.472 51 Q N -1.613 118.204 119.800 0.028 0.000 2.565 51 Q HA 0.405 4.745 4.340 -0.000 0.000 0.294 51 Q C -1.688 174.423 176.000 0.185 0.000 1.005 51 Q CA -0.627 55.196 55.803 0.033 0.000 0.771 51 Q CB 1.723 30.481 28.738 0.034 0.000 1.486 51 Q HN 0.597 nan 8.270 nan 0.000 0.422 52 H N 1.387 120.451 119.070 -0.011 0.000 2.718 52 H HA 0.266 4.822 4.556 -0.000 0.000 0.295 52 H C 0.618 175.947 175.328 0.001 0.000 1.051 52 H CA -0.302 55.742 56.048 -0.006 0.000 1.260 52 H CB 0.871 30.623 29.762 -0.016 0.000 1.403 52 H HN 0.429 nan 8.280 nan 0.000 0.488 53 L N 2.506 123.795 121.223 0.110 0.000 2.131 53 L HA 0.003 4.343 4.340 -0.000 0.000 0.210 53 L C 1.191 178.089 176.870 0.047 0.000 1.092 53 L CA 1.044 55.920 54.840 0.061 0.000 0.759 53 L CB -0.202 41.883 42.059 0.043 0.000 0.903 53 L HN 0.851 nan 8.230 nan 0.000 0.435 54 G N -0.509 108.316 108.800 0.041 0.000 2.515 54 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.686 54 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.686 54 G C -0.283 174.620 174.900 0.006 0.000 1.274 54 G CA -0.539 44.575 45.100 0.023 0.000 0.874 54 G HN 0.278 nan 8.290 nan 0.000 0.631 55 E N -0.491 119.709 120.200 0.001 0.000 2.230 55 E HA -0.201 4.149 4.350 -0.000 0.000 0.206 55 E C 1.024 177.622 176.600 -0.005 0.000 1.309 55 E CA 0.831 57.231 56.400 -0.001 0.000 0.697 55 E CB -1.622 28.080 29.700 0.003 0.000 1.146 55 E HN 1.982 nan 8.360 nan 0.000 0.363 56 S N -1.880 113.808 115.700 -0.021 0.000 3.350 56 S HA -0.241 4.228 4.470 -0.000 0.000 0.341 56 S C 0.275 174.885 174.600 0.016 0.000 1.176 56 S CA 1.626 59.814 58.200 -0.019 0.000 0.972 56 S CB -1.046 62.162 63.200 0.013 0.000 0.953 56 S HN 0.513 nan 8.310 nan 0.000 0.565 57 T N 1.584 116.137 114.554 -0.002 0.000 2.779 57 T HA 0.600 4.950 4.350 -0.000 0.000 0.280 57 T C 0.290 175.001 174.700 0.018 0.000 0.987 57 T CA -0.395 61.724 62.100 0.031 0.000 0.966 57 T CB 1.729 70.611 68.868 0.024 0.000 0.933 57 T HN 0.454 nan 8.240 nan 0.000 0.442 58 V N 1.563 121.517 119.914 0.067 0.000 2.630 58 V HA 0.759 4.879 4.120 -0.000 0.000 0.305 58 V C -0.184 175.972 176.094 0.103 0.000 1.046 58 V CA -1.387 60.964 62.300 0.085 0.000 0.934 58 V CB 1.643 33.518 31.823 0.086 0.000 1.003 58 V HN 0.866 nan 8.190 nan 0.000 0.451 59 R N 2.242 122.803 120.500 0.101 0.000 2.393 59 R HA 0.741 5.081 4.340 -0.000 0.000 0.310 59 R C -0.203 176.137 176.300 0.066 0.000 0.968 59 R CA 0.283 56.425 56.100 0.069 0.000 0.867 59 R CB 1.588 31.918 30.300 0.049 0.000 1.124 59 R HN 1.169 nan 8.270 nan 0.000 0.450 60 T N 2.080 116.667 114.554 0.056 0.000 2.916 60 T HA 0.549 4.899 4.350 -0.000 0.000 0.292 60 T C 0.120 174.840 174.700 0.033 0.000 1.064 60 T CA -1.026 61.105 62.100 0.052 0.000 1.011 60 T CB 1.129 70.039 68.868 0.070 0.000 1.152 60 T HN 0.574 nan 8.240 nan 0.000 0.510 61 I N -0.046 120.541 120.570 0.029 0.000 2.404 61 I HA 0.802 4.972 4.170 -0.000 0.000 0.293 61 I C 0.162 176.294 176.117 0.024 0.000 0.992 61 I CA -1.497 59.814 61.300 0.018 0.000 1.149 61 I CB 1.376 39.381 38.000 0.007 0.000 1.315 61 I HN 0.880 nan 8.210 nan 0.000 0.446 62 A N 6.829 129.659 122.820 0.017 0.000 2.354 62 A HA 0.525 4.845 4.320 -0.000 0.000 0.269 62 A C 0.731 178.325 177.584 0.018 0.000 1.109 62 A CA -0.594 51.454 52.037 0.019 0.000 0.800 62 A CB 0.731 19.740 19.000 0.014 0.000 1.045 62 A HN 0.866 nan 8.150 nan 0.000 0.489 63 M N 0.875 120.488 119.600 0.022 0.000 2.494 63 M HA 0.183 4.663 4.480 -0.000 0.000 0.232 63 M C -0.145 176.165 176.300 0.016 0.000 1.137 63 M CA 0.601 55.913 55.300 0.020 0.000 1.012 63 M CB -1.095 31.521 32.600 0.025 0.000 1.567 63 M HN 0.778 nan 8.290 nan 0.000 0.486 64 D N -1.052 119.356 120.400 0.013 0.000 2.825 64 D HA 0.479 5.119 4.640 -0.000 0.000 0.327 64 D C -0.539 175.765 176.300 0.008 0.000 1.277 64 D CA -0.199 53.808 54.000 0.011 0.000 0.950 64 D CB 1.233 42.040 40.800 0.011 0.000 1.438 64 D HN 0.120 nan 8.370 nan 0.000 0.526 65 G N -1.119 107.684 108.800 0.006 0.000 2.594 65 G HA2 0.363 4.323 3.960 -0.000 0.000 0.243 65 G HA3 0.363 4.323 3.960 -0.000 0.000 0.243 65 G C 0.809 175.711 174.900 0.003 0.000 1.229 65 G CA 0.578 45.680 45.100 0.004 0.000 0.843 65 G HN 0.397 nan 8.290 nan 0.000 0.578 66 T N -1.840 112.715 114.554 0.002 0.000 3.054 66 T HA 0.190 4.540 4.350 -0.000 0.000 0.255 66 T C 0.548 175.247 174.700 -0.001 0.000 1.035 66 T CA -0.149 61.951 62.100 0.001 0.000 0.941 66 T CB -0.143 68.725 68.868 0.000 0.000 1.026 66 T HN 0.624 nan 8.240 nan 0.000 0.533 67 E N 1.485 121.685 120.200 -0.001 0.000 2.608 67 E HA 0.296 4.646 4.350 -0.000 0.000 0.259 67 E C 1.333 177.932 176.600 -0.003 0.000 0.951 67 E CA 0.749 57.148 56.400 -0.002 0.000 0.945 67 E CB -0.141 29.558 29.700 -0.001 0.000 0.916 67 E HN 0.525 nan 8.360 nan 0.000 0.477 68 G N 2.557 111.354 108.800 -0.004 0.000 2.225 68 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.254 68 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.254 68 G C 0.364 175.260 174.900 -0.007 0.000 0.988 68 G CA 0.137 45.234 45.100 -0.005 0.000 0.625 68 G HN 0.410 nan 8.290 nan 0.000 0.527 69 L N 0.282 121.501 121.223 -0.007 0.000 2.473 69 L HA 0.535 4.875 4.340 -0.000 0.000 0.268 69 L C 0.591 177.454 176.870 -0.012 0.000 1.215 69 L CA -0.340 54.494 54.840 -0.010 0.000 0.823 69 L CB 0.945 42.999 42.059 -0.010 0.000 1.099 69 L HN 0.005 nan 8.230 nan 0.000 0.483 70 V N 1.140 121.044 119.914 -0.017 0.000 2.686 70 V HA 0.322 4.442 4.120 -0.000 0.000 0.306 70 V C -0.163 175.916 176.094 -0.024 0.000 1.065 70 V CA -0.900 61.390 62.300 -0.018 0.000 0.894 70 V CB 1.912 33.725 31.823 -0.018 0.000 1.004 70 V HN 0.636 nan 8.190 nan 0.000 0.424 71 R N 2.480 122.967 120.500 -0.023 0.000 2.504 71 R HA 0.362 4.702 4.340 -0.000 0.000 0.291 71 R C 1.339 177.618 176.300 -0.035 0.000 0.974 71 R CA 1.261 57.344 56.100 -0.028 0.000 1.077 71 R CB -0.033 30.253 30.300 -0.023 0.000 0.926 71 R HN 1.227 nan 8.270 nan 0.000 0.407 72 G N 1.782 110.553 108.800 -0.047 0.000 2.284 72 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.216 72 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.216 72 G C 0.206 175.070 174.900 -0.060 0.000 1.009 72 G CA -0.042 45.026 45.100 -0.053 0.000 0.625 72 G HN 0.608 nan 8.290 nan 0.000 0.501 73 Q N 1.635 121.404 119.800 -0.052 0.000 2.369 73 Q HA 0.340 4.680 4.340 -0.000 0.000 0.295 73 Q C 0.272 176.229 176.000 -0.072 0.000 1.075 73 Q CA 0.449 56.221 55.803 -0.050 0.000 0.941 73 Q CB 0.296 29.012 28.738 -0.037 0.000 1.260 73 Q HN 0.473 nan 8.270 nan 0.000 0.417 74 K N 1.741 122.101 120.400 -0.066 0.000 2.185 74 K HA 0.365 4.685 4.320 -0.000 0.000 0.271 74 K C -1.160 175.392 176.600 -0.080 0.000 1.013 74 K CA -0.485 55.750 56.287 -0.086 0.000 0.943 74 K CB 1.310 33.773 32.500 -0.062 0.000 0.998 74 K HN 0.347 nan 8.250 nan 0.000 0.468 75 V N 4.468 124.312 119.914 -0.117 0.000 2.569 75 V HA 0.289 4.409 4.120 -0.000 0.000 0.301 75 V C -0.629 175.460 176.094 -0.008 0.000 1.044 75 V CA -0.843 61.416 62.300 -0.068 0.000 0.874 75 V CB 1.408 33.172 31.823 -0.097 0.000 1.002 75 V HN 0.590 nan 8.190 nan 0.000 0.424 76 L N 3.358 124.620 121.223 0.064 0.000 2.325 76 L HA 0.560 4.900 4.340 -0.000 0.000 0.279 76 L C -0.123 176.849 176.870 0.171 0.000 1.054 76 L CA -0.490 54.421 54.840 0.119 0.000 0.804 76 L CB 1.515 43.612 42.059 0.063 0.000 1.200 76 L HN 0.595 nan 8.230 nan 0.000 0.436 77 D N 0.690 121.214 120.400 0.207 0.000 2.316 77 D HA 0.054 4.694 4.640 -0.000 0.000 0.245 77 D C 1.106 177.435 176.300 0.048 0.000 1.171 77 D CA -0.236 53.829 54.000 0.108 0.000 0.856 77 D CB 1.400 42.204 40.800 0.007 0.000 1.090 77 D HN 0.510 nan 8.370 nan 0.000 0.476 78 S N 2.850 118.569 115.700 0.033 0.000 2.500 78 S HA 0.039 4.509 4.470 -0.000 0.000 0.239 78 S C 1.806 176.405 174.600 -0.003 0.000 0.989 78 S CA 0.584 58.791 58.200 0.011 0.000 0.951 78 S CB -0.467 62.737 63.200 0.007 0.000 0.759 78 S HN 1.006 nan 8.310 nan 0.000 0.523 79 G N 0.077 108.872 108.800 -0.008 0.000 2.179 79 G HA2 0.076 4.036 3.960 -0.000 0.000 0.260 79 G HA3 0.076 4.036 3.960 -0.000 0.000 0.260 79 G C 0.164 175.057 174.900 -0.012 0.000 0.977 79 G CA -0.060 45.030 45.100 -0.017 0.000 0.641 79 G HN 1.673 nan 8.290 nan 0.000 0.533 80 A N -0.799 122.019 122.820 -0.003 0.000 2.586 80 A HA 0.900 5.220 4.320 -0.000 0.000 0.290 80 A C -2.737 174.863 177.584 0.026 0.000 1.086 80 A CA -0.371 51.670 52.037 0.008 0.000 0.665 80 A CB 1.110 20.115 19.000 0.008 0.000 1.279 80 A HN 0.237 nan 8.150 nan 0.000 0.423 81 P HA 0.211 nan 4.420 nan 0.000 0.273 81 P C -0.287 177.064 177.300 0.085 0.000 1.258 81 P CA 0.029 63.188 63.100 0.098 0.000 0.802 81 P CB 0.227 32.023 31.700 0.160 0.000 1.040 82 I N 0.672 121.304 120.570 0.104 0.000 2.587 82 I HA 0.016 4.186 4.170 -0.000 0.000 0.284 82 I C 1.279 177.428 176.117 0.053 0.000 1.134 82 I CA 0.510 61.847 61.300 0.061 0.000 1.410 82 I CB -0.131 37.894 38.000 0.043 0.000 1.392 82 I HN 0.080 nan 8.210 nan 0.000 0.545 83 R N 7.689 128.225 120.500 0.060 0.000 2.393 83 R HA 0.694 5.034 4.340 -0.000 0.000 0.310 83 R C -0.648 175.756 176.300 0.174 0.000 0.968 83 R CA -0.767 55.392 56.100 0.099 0.000 0.867 83 R CB 1.789 32.136 30.300 0.079 0.000 1.124 83 R HN 0.592 nan 8.270 nan 0.000 0.450 84 I N -1.188 119.484 120.570 0.170 0.000 2.892 84 I HA 0.572 4.742 4.170 -0.000 0.000 0.306 84 I C -2.583 173.528 176.117 -0.010 0.000 1.078 84 I CA -3.460 57.929 61.300 0.149 0.000 1.032 84 I CB 2.273 40.281 38.000 0.014 0.000 1.229 84 I HN 0.308 nan 8.210 nan 0.000 0.435 85 P HA 0.086 nan 4.420 nan 0.000 0.261 85 P C -0.516 176.465 177.300 -0.531 0.000 1.203 85 P CA 0.070 62.709 63.100 -0.770 0.000 0.767 85 P CB 0.391 31.755 31.700 -0.561 0.000 0.785 86 V N 1.505 121.047 119.914 -0.620 0.000 2.680 86 V HA 1.033 5.153 4.120 -0.000 0.000 0.309 86 V C 0.209 175.745 176.094 -0.931 0.000 1.052 86 V CA -0.445 61.443 62.300 -0.688 0.000 0.908 86 V CB 1.511 32.960 31.823 -0.623 0.000 1.001 86 V HN 0.860 nan 8.190 nan 0.000 0.431 87 G N 3.450 111.689 108.800 -0.934 0.000 2.347 87 G HA2 0.285 4.245 3.960 -0.000 0.000 0.321 87 G HA3 0.285 4.245 3.960 -0.000 0.000 0.321 87 G C -2.625 172.132 174.900 -0.239 0.000 1.412 87 G CA 0.005 44.705 45.100 -0.666 0.000 0.990 87 G HN 0.555 nan 8.290 nan 0.000 0.637 88 P HA -0.095 nan 4.420 nan 0.000 0.220 88 P C 1.168 178.440 177.300 -0.046 0.000 1.144 88 P CA 1.697 64.821 63.100 0.040 0.000 0.800 88 P CB 0.077 31.817 31.700 0.066 0.000 0.772 89 E N -0.039 120.112 120.200 -0.080 0.000 2.416 89 E HA -0.017 4.333 4.350 -0.000 0.000 0.189 89 E C 0.954 177.505 176.600 -0.081 0.000 1.091 89 E CA 0.723 57.077 56.400 -0.077 0.000 0.889 89 E CB -1.310 28.340 29.700 -0.083 0.000 1.015 89 E HN 0.348 nan 8.360 nan 0.000 0.479 90 T N -2.072 112.439 114.554 -0.072 0.000 3.014 90 T HA 0.202 4.552 4.350 -0.000 0.000 0.250 90 T C 1.039 175.754 174.700 0.025 0.000 1.060 90 T CA -0.399 61.673 62.100 -0.047 0.000 1.040 90 T CB -0.195 68.616 68.868 -0.095 0.000 0.971 90 T HN 0.040 nan 8.240 nan 0.000 0.497 91 L N 2.254 123.490 121.223 0.022 0.000 2.513 91 L HA 0.416 4.756 4.340 -0.000 0.000 0.272 91 L C 1.749 178.634 176.870 0.025 0.000 1.187 91 L CA 1.071 55.915 54.840 0.007 0.000 0.895 91 L CB 0.022 42.009 42.059 -0.119 0.000 1.147 91 L HN 0.568 nan 8.230 nan 0.000 0.483 92 G N 1.829 110.667 108.800 0.063 0.000 2.267 92 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.257 92 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.257 92 G C 0.493 175.469 174.900 0.128 0.000 0.998 92 G CA -0.308 44.844 45.100 0.086 0.000 0.620 92 G HN 0.457 nan 8.290 nan 0.000 0.529 93 R N 0.226 120.779 120.500 0.088 0.000 2.531 93 R HA 0.634 4.974 4.340 -0.000 0.000 0.273 93 R C 0.515 176.863 176.300 0.080 0.000 1.070 93 R CA -0.923 55.222 56.100 0.075 0.000 1.112 93 R CB 0.363 30.680 30.300 0.029 0.000 1.049 93 R HN 0.348 nan 8.270 nan 0.000 0.508 94 I N 3.239 123.826 120.570 0.029 0.000 2.330 94 I HA 0.267 4.437 4.170 -0.000 0.000 0.286 94 I C 0.491 176.626 176.117 0.030 0.000 1.025 94 I CA -0.144 61.163 61.300 0.012 0.000 1.197 94 I CB 0.805 38.708 38.000 -0.162 0.000 1.358 94 I HN 0.250 nan 8.210 nan 0.000 0.467 95 M N 4.279 123.916 119.600 0.062 0.000 2.471 95 M HA 0.305 4.785 4.480 -0.000 0.000 0.309 95 M C 0.138 176.478 176.300 0.068 0.000 1.186 95 M CA -0.408 54.917 55.300 0.042 0.000 1.008 95 M CB 1.409 34.017 32.600 0.015 0.000 1.551 95 M HN 0.459 nan 8.290 nan 0.000 0.477 96 N N -0.676 118.052 118.700 0.046 0.000 2.448 96 N HA 0.297 5.037 4.740 -0.000 0.000 0.274 96 N C 0.646 176.174 175.510 0.029 0.000 1.239 96 N CA -0.450 52.628 53.050 0.045 0.000 0.982 96 N CB 1.088 39.594 38.487 0.032 0.000 1.199 96 N HN 0.422 nan 8.380 nan 0.000 0.576 97 V N 0.529 120.459 119.914 0.027 0.000 2.261 97 V HA -0.180 3.940 4.120 -0.000 0.000 0.246 97 V C 1.705 177.805 176.094 0.010 0.000 1.047 97 V CA 1.936 64.244 62.300 0.013 0.000 1.015 97 V CB -1.033 30.799 31.823 0.015 0.000 0.642 97 V HN 0.748 nan 8.190 nan 0.000 0.446 98 I N -0.977 119.605 120.570 0.021 0.000 3.749 98 I HA 0.618 4.788 4.170 -0.000 0.000 0.314 98 I C 1.433 177.575 176.117 0.040 0.000 1.267 98 I CA 0.693 62.009 61.300 0.028 0.000 1.169 98 I CB -0.368 37.650 38.000 0.030 0.000 1.009 98 I HN 0.375 nan 8.210 nan 0.000 0.444 99 G N 0.919 109.738 108.800 0.032 0.000 2.175 99 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.244 99 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.244 99 G C -0.078 174.847 174.900 0.042 0.000 0.982 99 G CA -0.038 45.085 45.100 0.038 0.000 0.641 99 G HN 0.627 nan 8.290 nan 0.000 0.527 100 E N 2.271 122.494 120.200 0.038 0.000 2.331 100 E HA 0.400 4.750 4.350 -0.000 0.000 0.272 100 E C -2.195 174.418 176.600 0.021 0.000 1.036 100 E CA -1.830 54.590 56.400 0.034 0.000 0.864 100 E CB 1.076 30.794 29.700 0.030 0.000 1.035 100 E HN 0.208 nan 8.360 nan 0.000 0.408 101 P HA -0.061 nan 4.420 nan 0.000 0.265 101 P C 0.077 177.378 177.300 0.000 0.000 1.193 101 P CA 0.717 63.821 63.100 0.007 0.000 0.765 101 P CB 0.267 31.972 31.700 0.009 0.000 0.823 102 I N -0.720 119.841 120.570 -0.016 0.000 3.813 102 I HA 0.238 4.408 4.170 -0.000 0.000 0.323 102 I C 0.233 176.306 176.117 -0.072 0.000 1.536 102 I CA -0.337 60.943 61.300 -0.033 0.000 1.083 102 I CB 0.163 38.146 38.000 -0.028 0.000 1.265 102 I HN 0.036 nan 8.210 nan 0.000 0.507 103 D N 0.415 120.780 120.400 -0.058 0.000 2.363 103 D HA 0.019 4.659 4.640 -0.000 0.000 0.214 103 D C 0.570 176.873 176.300 0.005 0.000 1.093 103 D CA -0.110 53.853 54.000 -0.062 0.000 0.837 103 D CB -0.067 40.709 40.800 -0.040 0.000 0.948 103 D HN 0.457 nan 8.370 nan 0.000 0.507 104 E N -0.427 119.774 120.200 0.002 0.000 2.805 104 E HA -0.271 4.078 4.350 -0.000 0.000 0.266 104 E C 0.233 176.847 176.600 0.024 0.000 1.092 104 E CA 0.367 56.776 56.400 0.015 0.000 0.781 104 E CB -0.901 28.811 29.700 0.020 0.000 1.379 104 E HN 0.428 nan 8.360 nan 0.000 0.433 105 R N -0.094 120.422 120.500 0.026 0.000 2.586 105 R HA 0.288 4.628 4.340 -0.000 0.000 0.336 105 R C 0.701 177.013 176.300 0.020 0.000 1.060 105 R CA 0.337 56.454 56.100 0.028 0.000 1.079 105 R CB 1.135 31.460 30.300 0.041 0.000 1.317 105 R HN 0.268 nan 8.270 nan 0.000 0.568 106 G N 2.286 111.096 108.800 0.016 0.000 2.795 106 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.664 106 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.664 106 G C -2.527 172.382 174.900 0.015 0.000 1.381 106 G CA -1.291 43.818 45.100 0.015 0.000 0.853 106 G HN 0.016 nan 8.290 nan 0.000 0.545 107 P HA 0.187 nan 4.420 nan 0.000 0.269 107 P C 0.161 177.467 177.300 0.010 0.000 1.205 107 P CA 0.237 63.350 63.100 0.022 0.000 0.780 107 P CB 0.270 31.988 31.700 0.030 0.000 0.858 108 I N 2.023 122.596 120.570 0.004 0.000 2.276 108 I HA 0.132 4.302 4.170 -0.000 0.000 0.290 108 I C 1.046 177.134 176.117 -0.049 0.000 1.109 108 I CA -0.123 61.155 61.300 -0.037 0.000 1.229 108 I CB -0.119 37.839 38.000 -0.069 0.000 1.452 108 I HN 0.048 nan 8.210 nan 0.000 0.497 109 K N 4.780 125.162 120.400 -0.030 0.000 2.652 109 K HA 0.040 4.360 4.320 -0.000 0.000 0.239 109 K C 0.541 177.102 176.600 -0.064 0.000 1.235 109 K CA -0.095 56.181 56.287 -0.018 0.000 1.191 109 K CB -0.549 31.950 32.500 -0.003 0.000 1.348 109 K HN 0.618 nan 8.250 nan 0.000 0.239 110 T N -2.167 112.297 114.554 -0.149 0.000 2.849 110 T HA 0.196 4.546 4.350 -0.000 0.000 0.284 110 T C 0.802 175.423 174.700 -0.132 0.000 1.004 110 T CA -0.719 61.234 62.100 -0.245 0.000 1.021 110 T CB 1.449 69.993 68.868 -0.540 0.000 1.013 110 T HN 0.247 nan 8.240 nan 0.000 0.527 111 K N 0.311 120.640 120.400 -0.119 0.000 2.374 111 K HA 0.161 4.481 4.320 -0.000 0.000 0.202 111 K C -0.290 176.317 176.600 0.011 0.000 1.040 111 K CA -0.076 56.207 56.287 -0.006 0.000 1.085 111 K CB 0.507 33.010 32.500 0.006 0.000 0.873 111 K HN 0.552 nan 8.250 nan 0.000 0.539 112 Q N -0.081 119.639 119.800 -0.133 0.000 2.359 112 Q HA 0.488 4.828 4.340 -0.000 0.000 0.274 112 Q C -1.226 174.606 176.000 -0.281 0.000 1.074 112 Q CA -0.453 55.301 55.803 -0.081 0.000 0.810 112 Q CB 1.562 30.245 28.738 -0.091 0.000 1.342 112 Q HN -0.092 nan 8.270 nan 0.000 0.427 113 F N 0.440 120.344 119.950 -0.076 0.000 2.563 113 F HA 0.910 5.437 4.527 -0.000 0.000 0.316 113 F C -0.302 175.473 175.800 -0.042 0.000 1.076 113 F CA -0.859 57.098 58.000 -0.072 0.000 0.921 113 F CB 2.174 41.146 39.000 -0.045 0.000 1.209 113 F HN 0.641 nan 8.300 nan 0.000 0.462 114 A N 1.248 124.139 122.820 0.118 0.000 2.435 114 A HA 0.873 5.193 4.320 -0.000 0.000 0.304 114 A C -1.180 176.446 177.584 0.070 0.000 1.064 114 A CA -0.771 51.312 52.037 0.077 0.000 0.727 114 A CB 1.126 20.149 19.000 0.038 0.000 1.284 114 A HN 0.993 nan 8.150 nan 0.000 0.415 115 A N 1.234 124.091 122.820 0.062 0.000 2.401 115 A HA 0.484 4.804 4.320 -0.000 0.000 0.259 115 A C 1.091 178.686 177.584 0.018 0.000 1.103 115 A CA 0.076 52.145 52.037 0.054 0.000 0.789 115 A CB -0.345 18.697 19.000 0.070 0.000 1.035 115 A HN 1.666 nan 8.150 nan 0.000 0.491 116 I N -0.334 120.216 120.570 -0.032 0.000 2.830 116 I HA 0.000 4.170 4.170 -0.000 0.000 0.263 116 I C 0.120 176.122 176.117 -0.192 0.000 1.230 116 I CA 0.620 61.839 61.300 -0.135 0.000 1.480 116 I CB -0.305 37.570 38.000 -0.207 0.000 1.095 116 I HN 0.499 nan 8.210 nan 0.000 0.455 117 H N 2.418 121.497 119.070 0.015 0.000 2.489 117 H HA 0.801 5.357 4.556 -0.000 0.000 0.322 117 H C -0.493 174.840 175.328 0.009 0.000 1.091 117 H CA -0.111 55.945 56.048 0.013 0.000 1.291 117 H CB 1.691 31.462 29.762 0.015 0.000 1.436 117 H HN 0.419 nan 8.280 nan 0.000 0.480 118 A N 3.191 126.087 122.820 0.126 0.000 2.594 118 A HA 0.265 4.585 4.320 -0.000 0.000 0.296 118 A C -0.599 177.015 177.584 0.050 0.000 1.061 118 A CA -0.949 51.129 52.037 0.068 0.000 0.689 118 A CB 1.402 20.426 19.000 0.039 0.000 1.280 118 A HN 0.564 nan 8.150 nan 0.000 0.406 119 E N 0.752 120.974 120.200 0.037 0.000 2.415 119 E HA 0.383 4.733 4.350 -0.000 0.000 0.262 119 E C 0.557 177.170 176.600 0.022 0.000 1.038 119 E CA 0.460 56.877 56.400 0.028 0.000 0.921 119 E CB 1.002 30.716 29.700 0.023 0.000 0.950 119 E HN 0.863 nan 8.360 nan 0.000 0.438 120 A N 4.135 126.969 122.820 0.023 0.000 2.354 120 A HA 0.395 4.715 4.320 -0.000 0.000 0.269 120 A C -2.078 175.521 177.584 0.025 0.000 1.109 120 A CA -1.349 50.700 52.037 0.020 0.000 0.800 120 A CB -0.250 18.766 19.000 0.026 0.000 1.045 120 A HN 0.309 nan 8.150 nan 0.000 0.489 121 P HA 0.008 nan 4.420 nan 0.000 0.263 121 P C -0.053 177.271 177.300 0.040 0.000 1.168 121 P CA 0.409 63.520 63.100 0.019 0.000 0.759 121 P CB 0.380 32.084 31.700 0.006 0.000 0.782 122 E N 1.782 122.008 120.200 0.044 0.000 2.397 122 E HA 0.021 4.371 4.350 -0.000 0.000 0.254 122 E C 0.818 177.485 176.600 0.111 0.000 1.231 122 E CA -0.339 56.109 56.400 0.081 0.000 0.954 122 E CB 0.105 29.847 29.700 0.070 0.000 1.024 122 E HN 0.368 nan 8.360 nan 0.000 0.481 123 F N 1.675 121.625 119.950 -0.000 0.000 2.102 123 F HA -0.215 4.312 4.527 -0.000 0.000 0.298 123 F C 2.005 177.803 175.800 -0.003 0.000 1.105 123 F CA 1.766 59.766 58.000 -0.001 0.000 1.239 123 F CB -0.495 38.504 39.000 -0.001 0.000 0.991 123 F HN 0.258 nan 8.300 nan 0.000 0.474 124 V N -1.284 118.586 119.914 -0.074 0.000 2.688 124 V HA -0.248 3.872 4.120 -0.000 0.000 0.256 124 V C 1.428 177.423 176.094 -0.165 0.000 1.084 124 V CA 2.128 64.325 62.300 -0.172 0.000 1.103 124 V CB -1.321 30.472 31.823 -0.049 0.000 0.688 124 V HN 0.468 nan 8.190 nan 0.000 0.480 125 E N 0.225 120.360 120.200 -0.107 0.000 2.476 125 E HA 0.190 4.540 4.350 -0.000 0.000 0.191 125 E C 0.502 177.041 176.600 -0.102 0.000 1.064 125 E CA -0.253 56.097 56.400 -0.083 0.000 0.866 125 E CB -0.034 29.642 29.700 -0.040 0.000 0.952 125 E HN 0.490 nan 8.360 nan 0.000 0.492 126 M N 0.742 120.238 119.600 -0.174 0.000 2.247 126 M HA 0.195 4.675 4.480 -0.000 0.000 0.326 126 M C 0.418 176.633 176.300 -0.142 0.000 1.134 126 M CA -0.213 54.995 55.300 -0.155 0.000 1.136 126 M CB 1.144 33.617 32.600 -0.211 0.000 1.454 126 M HN -0.119 nan 8.290 nan 0.000 0.467 127 S N 0.648 116.292 115.700 -0.093 0.000 2.536 127 S HA 0.663 5.133 4.470 -0.000 0.000 0.298 127 S C 0.171 174.736 174.600 -0.058 0.000 1.083 127 S CA -0.710 57.446 58.200 -0.072 0.000 0.995 127 S CB 1.462 64.633 63.200 -0.048 0.000 1.058 127 S HN 0.619 nan 8.310 nan 0.000 0.488 128 V N -0.132 119.753 119.914 -0.049 0.000 3.380 128 V HA 0.513 4.633 4.120 -0.000 0.000 0.307 128 V C 0.065 176.147 176.094 -0.019 0.000 1.434 128 V CA -0.361 61.920 62.300 -0.032 0.000 1.075 128 V CB -0.353 31.451 31.823 -0.032 0.000 0.954 128 V HN 0.702 nan 8.190 nan 0.000 0.444 129 E N 2.490 122.679 120.200 -0.018 0.000 2.373 129 E HA 0.453 4.803 4.350 -0.000 0.000 0.267 129 E C -0.535 176.064 176.600 -0.002 0.000 1.032 129 E CA 0.338 56.732 56.400 -0.010 0.000 0.889 129 E CB 0.955 30.649 29.700 -0.010 0.000 0.984 129 E HN 0.755 nan 8.360 nan 0.000 0.425 130 Q N 1.701 121.504 119.800 0.005 0.000 2.275 130 Q HA 0.418 4.758 4.340 -0.000 0.000 0.258 130 Q C -1.007 175.007 176.000 0.022 0.000 0.960 130 Q CA -0.367 55.445 55.803 0.015 0.000 0.801 130 Q CB 1.952 30.699 28.738 0.015 0.000 1.302 130 Q HN 0.300 nan 8.270 nan 0.000 0.433 131 E N 2.161 122.380 120.200 0.031 0.000 2.224 131 E HA 0.386 4.736 4.350 -0.000 0.000 0.265 131 E C -0.711 175.923 176.600 0.057 0.000 0.878 131 E CA -0.796 55.628 56.400 0.039 0.000 0.759 131 E CB 2.707 32.427 29.700 0.034 0.000 1.164 131 E HN 0.511 nan 8.360 nan 0.000 0.414 132 I N 2.788 123.399 120.570 0.068 0.000 2.993 132 I HA -0.154 4.016 4.170 -0.000 0.000 0.301 132 I C -0.687 175.481 176.117 0.086 0.000 1.229 132 I CA 0.416 61.769 61.300 0.089 0.000 1.435 132 I CB 0.413 38.476 38.000 0.105 0.000 1.328 132 I HN 0.441 nan 8.210 nan 0.000 0.584 133 L N 8.672 129.957 121.223 0.103 0.000 2.384 133 L HA 0.381 4.721 4.340 -0.000 0.000 0.261 133 L C -0.720 176.192 176.870 0.070 0.000 1.024 133 L CA -0.417 54.482 54.840 0.098 0.000 0.899 133 L CB 0.949 43.090 42.059 0.136 0.000 1.243 133 L HN 0.306 nan 8.230 nan 0.000 0.449 134 V N 3.328 123.271 119.914 0.048 0.000 2.599 134 V HA 0.128 4.248 4.120 -0.000 0.000 0.300 134 V C 1.541 177.633 176.094 -0.002 0.000 1.034 134 V CA 0.899 63.208 62.300 0.015 0.000 1.115 134 V CB 0.774 32.607 31.823 0.017 0.000 0.934 134 V HN 0.894 nan 8.190 nan 0.000 0.485 135 T N -0.508 114.014 114.554 -0.054 0.000 2.985 135 T HA 0.330 4.680 4.350 -0.000 0.000 0.254 135 T C 1.368 176.033 174.700 -0.058 0.000 1.021 135 T CA 0.645 62.709 62.100 -0.060 0.000 0.957 135 T CB 0.605 69.379 68.868 -0.157 0.000 1.047 135 T HN 1.569 nan 8.240 nan 0.000 0.511 136 G N 1.914 110.687 108.800 -0.046 0.000 2.159 136 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.256 136 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.256 136 G C 0.019 174.907 174.900 -0.020 0.000 0.977 136 G CA 0.072 45.154 45.100 -0.029 0.000 0.652 136 G HN 0.634 nan 8.290 nan 0.000 0.531 137 I N 0.831 121.383 120.570 -0.031 0.000 2.342 137 I HA 0.219 4.389 4.170 -0.000 0.000 0.291 137 I C 1.587 177.721 176.117 0.029 0.000 1.010 137 I CA -0.503 60.823 61.300 0.042 0.000 1.308 137 I CB 1.222 39.260 38.000 0.064 0.000 1.400 137 I HN 0.040 nan 8.210 nan 0.000 0.488 138 K N 3.963 124.388 120.400 0.042 0.000 1.977 138 K HA -0.154 4.166 4.320 -0.000 0.000 0.218 138 K C 1.851 178.471 176.600 0.033 0.000 1.051 138 K CA 1.685 57.996 56.287 0.039 0.000 0.953 138 K CB -0.316 32.181 32.500 -0.005 0.000 0.727 138 K HN 0.597 nan 8.250 nan 0.000 0.445 139 V N 0.900 120.831 119.914 0.029 0.000 2.250 139 V HA -0.289 3.831 4.120 -0.000 0.000 0.250 139 V C 2.360 178.445 176.094 -0.015 0.000 1.060 139 V CA 1.999 64.293 62.300 -0.010 0.000 1.030 139 V CB -1.112 30.725 31.823 0.024 0.000 0.643 139 V HN 0.103 nan 8.190 nan 0.000 0.445 140 V N 0.738 120.647 119.914 -0.008 0.000 2.214 140 V HA -0.278 3.842 4.120 -0.000 0.000 0.245 140 V C 2.517 178.574 176.094 -0.062 0.000 1.047 140 V CA 2.529 64.790 62.300 -0.064 0.000 0.998 140 V CB -0.892 30.788 31.823 -0.239 0.000 0.633 140 V HN 0.561 nan 8.190 nan 0.000 0.446 141 D N -0.333 120.026 120.400 -0.070 0.000 2.172 141 D HA -0.202 4.438 4.640 -0.000 0.000 0.196 141 D C 1.946 178.315 176.300 0.116 0.000 0.999 141 D CA 1.636 55.636 54.000 -0.001 0.000 0.856 141 D CB -0.155 40.633 40.800 -0.021 0.000 0.934 141 D HN 0.322 nan 8.370 nan 0.000 0.453 142 L N 0.444 121.704 121.223 0.062 0.000 1.982 142 L HA -0.072 4.268 4.340 -0.000 0.000 0.206 142 L C 2.350 179.291 176.870 0.119 0.000 1.078 142 L CA 1.389 56.283 54.840 0.089 0.000 0.749 142 L CB -0.576 41.395 42.059 -0.147 0.000 0.894 142 L HN -0.043 nan 8.230 nan 0.000 0.436 143 L N -0.739 120.480 121.223 -0.006 0.000 2.095 143 L HA 0.132 4.472 4.340 -0.000 0.000 0.204 143 L C 0.892 177.772 176.870 0.017 0.000 1.080 143 L CA 0.749 55.574 54.840 -0.024 0.000 0.759 143 L CB -0.434 41.590 42.059 -0.059 0.000 0.914 143 L HN 0.353 nan 8.230 nan 0.000 0.439 144 A N 0.242 123.095 122.820 0.054 0.000 3.266 144 A HA 0.440 4.760 4.320 -0.000 0.000 0.310 144 A C -2.558 175.116 177.584 0.150 0.000 1.066 144 A CA -1.087 51.011 52.037 0.102 0.000 0.839 144 A CB -0.159 18.920 19.000 0.132 0.000 1.192 144 A HN -0.122 nan 8.150 nan 0.000 0.496 145 P HA 0.051 nan 4.420 nan 0.000 0.266 145 P C -0.637 176.829 177.300 0.277 0.000 1.195 145 P CA 0.562 63.736 63.100 0.125 0.000 0.768 145 P CB 0.463 32.238 31.700 0.124 0.000 0.838 146 Y N 1.087 121.427 120.300 0.066 0.000 2.295 146 Y HA 0.506 5.056 4.550 -0.000 0.000 0.331 146 Y C 1.133 177.059 175.900 0.043 0.000 1.311 146 Y CA -1.453 56.678 58.100 0.051 0.000 1.430 146 Y CB 0.007 38.496 38.460 0.048 0.000 1.339 146 Y HN 0.453 nan 8.280 nan 0.000 0.552 147 A N 1.059 123.992 122.820 0.187 0.000 2.430 147 A HA 0.563 4.883 4.320 -0.000 0.000 0.300 147 A C -0.839 176.790 177.584 0.075 0.000 1.124 147 A CA -1.110 50.992 52.037 0.107 0.000 0.766 147 A CB 1.292 20.332 19.000 0.068 0.000 1.328 147 A HN 0.648 nan 8.150 nan 0.000 0.424 148 K N 0.322 120.756 120.400 0.057 0.000 2.284 148 K HA 0.439 4.759 4.320 -0.000 0.000 0.287 148 K C 0.849 177.458 176.600 0.015 0.000 1.081 148 K CA 1.000 57.311 56.287 0.040 0.000 0.910 148 K CB 0.146 32.674 32.500 0.046 0.000 1.088 148 K HN 1.722 nan 8.250 nan 0.000 0.478 149 G N 2.605 111.401 108.800 -0.007 0.000 2.141 149 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.231 149 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.231 149 G C 0.265 175.145 174.900 -0.033 0.000 0.984 149 G CA -0.197 44.889 45.100 -0.023 0.000 0.660 149 G HN 0.866 nan 8.290 nan 0.000 0.525 150 G N -0.705 108.074 108.800 -0.034 0.000 2.531 150 G HA2 0.603 4.563 3.960 -0.000 0.000 0.313 150 G HA3 0.603 4.563 3.960 -0.000 0.000 0.313 150 G C -0.255 174.598 174.900 -0.078 0.000 1.238 150 G CA -0.802 44.275 45.100 -0.038 0.000 0.994 150 G HN 0.289 nan 8.290 nan 0.000 0.493 151 K N 0.319 120.677 120.400 -0.069 0.000 2.268 151 K HA 0.348 4.668 4.320 -0.000 0.000 0.276 151 K C -0.795 175.727 176.600 -0.130 0.000 1.080 151 K CA -0.180 56.050 56.287 -0.094 0.000 0.910 151 K CB 1.259 33.733 32.500 -0.042 0.000 1.163 151 K HN 0.205 nan 8.250 nan 0.000 0.465 152 I N 1.212 121.645 120.570 -0.228 0.000 2.498 152 I HA 0.371 4.541 4.170 -0.000 0.000 0.301 152 I C 0.684 176.669 176.117 -0.221 0.000 0.984 152 I CA -0.313 60.787 61.300 -0.333 0.000 1.204 152 I CB 1.900 39.482 38.000 -0.697 0.000 1.362 152 I HN 0.543 nan 8.210 nan 0.000 0.471 153 G N 5.284 114.007 108.800 -0.130 0.000 2.591 153 G HA2 0.737 4.697 3.960 -0.000 0.000 0.306 153 G HA3 0.737 4.697 3.960 -0.000 0.000 0.306 153 G C -1.275 173.615 174.900 -0.017 0.000 1.334 153 G CA -0.624 44.389 45.100 -0.145 0.000 0.981 153 G HN 0.460 nan 8.290 nan 0.000 0.491 154 L N 1.690 122.865 121.223 -0.080 0.000 2.324 154 L HA 0.463 4.803 4.340 -0.000 0.000 0.274 154 L C -0.929 175.976 176.870 0.059 0.000 1.012 154 L CA -0.621 54.276 54.840 0.095 0.000 0.859 154 L CB 0.881 43.008 42.059 0.114 0.000 1.224 154 L HN 0.275 nan 8.230 nan 0.000 0.429 155 F N 1.212 121.158 119.950 -0.008 0.000 2.375 155 F HA 0.778 5.305 4.527 -0.000 0.000 0.333 155 F C 1.023 176.827 175.800 0.007 0.000 1.104 155 F CA -0.489 57.484 58.000 -0.046 0.000 1.149 155 F CB 1.864 40.807 39.000 -0.096 0.000 1.190 155 F HN 0.433 nan 8.300 nan 0.000 0.533 156 G N 0.449 109.339 108.800 0.150 0.000 2.691 156 G HA2 0.491 4.451 3.960 -0.000 0.000 0.298 156 G HA3 0.491 4.451 3.960 -0.000 0.000 0.298 156 G C -0.561 174.349 174.900 0.017 0.000 1.471 156 G CA -0.362 44.799 45.100 0.103 0.000 0.912 156 G HN 0.937 nan 8.290 nan 0.000 0.553 157 G N -0.198 108.597 108.800 -0.008 0.000 2.525 157 G HA2 0.627 4.587 3.960 -0.000 0.000 0.276 157 G HA3 0.627 4.587 3.960 -0.000 0.000 0.276 157 G C 0.705 175.684 174.900 0.131 0.000 1.388 157 G CA 0.334 45.395 45.100 -0.066 0.000 1.050 157 G HN 1.660 nan 8.290 nan 0.000 0.520 158 A N -1.243 121.706 122.820 0.215 0.000 2.410 158 A HA 0.549 4.869 4.320 -0.000 0.000 0.292 158 A C 1.253 178.921 177.584 0.139 0.000 1.232 158 A CA 0.830 53.023 52.037 0.259 0.000 0.893 158 A CB -0.717 18.432 19.000 0.250 0.000 1.131 158 A HN 2.468 nan 8.150 nan 0.000 0.530 159 G N 1.055 109.925 108.800 0.117 0.000 2.140 159 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.211 159 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.211 159 G C 0.625 175.579 174.900 0.090 0.000 1.013 159 G CA 0.616 45.760 45.100 0.074 0.000 0.705 159 G HN 2.099 nan 8.290 nan 0.000 0.508 160 V N -3.238 116.744 119.914 0.114 0.000 3.660 160 V HA 0.676 4.796 4.120 -0.000 0.000 0.276 160 V C 1.664 177.867 176.094 0.181 0.000 1.317 160 V CA 1.532 63.920 62.300 0.147 0.000 1.097 160 V CB 0.404 32.295 31.823 0.114 0.000 0.863 160 V HN 2.109 nan 8.190 nan 0.000 0.438 161 G N 0.124 109.003 108.800 0.132 0.000 2.273 161 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.162 161 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.162 161 G C 0.724 175.720 174.900 0.161 0.000 1.006 161 G CA 0.205 45.386 45.100 0.135 0.000 0.704 161 G HN 0.389 nan 8.290 nan 0.000 0.487 162 K N 0.136 120.628 120.400 0.154 0.000 2.030 162 K HA -0.206 4.114 4.320 -0.000 0.000 0.222 162 K C 2.481 179.179 176.600 0.164 0.000 1.056 162 K CA 2.410 58.792 56.287 0.157 0.000 0.957 162 K CB -0.550 32.033 32.500 0.139 0.000 0.727 162 K HN 0.336 nan 8.250 nan 0.000 0.452 163 T N 1.170 115.812 114.554 0.147 0.000 2.737 163 T HA -0.105 4.245 4.350 -0.000 0.000 0.265 163 T C 2.073 176.869 174.700 0.161 0.000 1.038 163 T CA 1.213 63.408 62.100 0.159 0.000 1.144 163 T CB -0.283 68.674 68.868 0.149 0.000 0.866 163 T HN -0.021 nan 8.240 nan 0.000 0.434 164 V N 1.818 121.824 119.914 0.153 0.000 2.231 164 V HA -0.204 3.916 4.120 -0.000 0.000 0.250 164 V C 2.459 178.694 176.094 0.235 0.000 1.058 164 V CA 1.999 64.418 62.300 0.199 0.000 1.022 164 V CB -0.729 31.203 31.823 0.183 0.000 0.640 164 V HN 0.392 nan 8.190 nan 0.000 0.445 165 L N -0.392 121.004 121.223 0.288 0.000 2.127 165 L HA -0.157 4.183 4.340 -0.000 0.000 0.211 165 L C 2.047 179.017 176.870 0.166 0.000 1.089 165 L CA 2.033 57.047 54.840 0.291 0.000 0.757 165 L CB -0.504 41.766 42.059 0.350 0.000 0.899 165 L HN 0.383 nan 8.230 nan 0.000 0.434 166 I N -1.761 118.917 120.570 0.180 0.000 3.226 166 I HA -0.138 4.032 4.170 -0.000 0.000 0.277 166 I C 1.767 177.954 176.117 0.116 0.000 1.243 166 I CA 0.337 61.755 61.300 0.197 0.000 1.459 166 I CB 0.125 38.270 38.000 0.241 0.000 1.093 166 I HN 0.256 nan 8.210 nan 0.000 0.453 167 M N 0.226 119.872 119.600 0.078 0.000 2.200 167 M HA -0.123 4.357 4.480 -0.000 0.000 0.265 167 M C 2.064 178.332 176.300 -0.054 0.000 1.066 167 M CA 1.391 56.691 55.300 0.000 0.000 1.127 167 M CB -1.230 31.390 32.600 0.035 0.000 1.379 167 M HN 0.146 nan 8.290 nan 0.000 0.420 168 E N 0.723 120.874 120.200 -0.082 0.000 2.153 168 E HA -0.101 4.248 4.350 -0.000 0.000 0.194 168 E C 1.972 178.477 176.600 -0.159 0.000 0.988 168 E CA 1.187 57.445 56.400 -0.238 0.000 0.811 168 E CB -0.304 28.993 29.700 -0.673 0.000 0.746 168 E HN 0.508 nan 8.360 nan 0.000 0.466 169 L N -0.341 120.854 121.223 -0.046 0.000 2.179 169 L HA -0.015 4.325 4.340 -0.000 0.000 0.208 169 L C 2.293 179.208 176.870 0.074 0.000 1.096 169 L CA 0.619 55.502 54.840 0.071 0.000 0.779 169 L CB -0.264 41.938 42.059 0.238 0.000 0.922 169 L HN 0.155 nan 8.230 nan 0.000 0.443 170 I N 0.012 120.532 120.570 -0.084 0.000 2.353 170 I HA -0.251 3.919 4.170 -0.000 0.000 0.248 170 I C 2.267 178.320 176.117 -0.107 0.000 1.119 170 I CA 1.308 62.453 61.300 -0.258 0.000 1.417 170 I CB -0.373 37.321 38.000 -0.510 0.000 1.078 170 I HN 0.326 nan 8.210 nan 0.000 0.421 171 N N 1.171 119.816 118.700 -0.093 0.000 2.084 171 N HA -0.202 4.538 4.740 -0.000 0.000 0.190 171 N C 1.606 177.095 175.510 -0.035 0.000 1.030 171 N CA 1.907 54.917 53.050 -0.066 0.000 0.849 171 N CB 0.073 38.514 38.487 -0.077 0.000 1.012 171 N HN 0.239 nan 8.380 nan 0.000 0.423 172 N N -0.460 118.221 118.700 -0.031 0.000 2.258 172 N HA -0.015 4.725 4.740 -0.000 0.000 0.183 172 N C 1.726 177.260 175.510 0.040 0.000 1.029 172 N CA 0.974 54.020 53.050 -0.008 0.000 0.857 172 N CB -0.583 37.886 38.487 -0.029 0.000 1.008 172 N HN 0.079 nan 8.380 nan 0.000 0.433 173 V N 1.399 121.361 119.914 0.079 0.000 2.346 173 V HA -0.006 4.114 4.120 -0.000 0.000 0.244 173 V C 2.389 178.585 176.094 0.170 0.000 1.037 173 V CA 1.746 64.125 62.300 0.133 0.000 1.029 173 V CB -0.997 30.936 31.823 0.182 0.000 0.663 173 V HN 0.301 nan 8.190 nan 0.000 0.454 174 A N -0.180 122.745 122.820 0.174 0.000 1.872 174 A HA -0.170 4.150 4.320 -0.000 0.000 0.214 174 A C 2.267 179.942 177.584 0.153 0.000 1.187 174 A CA 1.656 53.808 52.037 0.192 0.000 0.614 174 A CB -0.446 18.638 19.000 0.139 0.000 0.826 174 A HN 0.489 nan 8.150 nan 0.000 0.442 175 K N -0.263 120.183 120.400 0.076 0.000 2.113 175 K HA -0.160 4.160 4.320 -0.000 0.000 0.208 175 K C 1.976 178.616 176.600 0.067 0.000 1.047 175 K CA 1.376 57.695 56.287 0.053 0.000 0.928 175 K CB -0.292 32.217 32.500 0.015 0.000 0.716 175 K HN 0.456 nan 8.250 nan 0.000 0.446 176 A N 0.736 123.603 122.820 0.079 0.000 2.178 176 A HA -0.056 4.264 4.320 -0.000 0.000 0.211 176 A C 0.516 178.151 177.584 0.084 0.000 1.157 176 A CA 0.080 52.155 52.037 0.064 0.000 0.780 176 A CB -0.459 18.574 19.000 0.054 0.000 0.828 176 A HN 0.336 nan 8.150 nan 0.000 0.476 177 H N 0.251 119.342 119.070 0.037 0.000 2.964 177 H HA 0.393 4.949 4.556 -0.000 0.000 0.328 177 H C 0.631 175.963 175.328 0.006 0.000 1.030 177 H CA 0.571 56.639 56.048 0.033 0.000 1.445 177 H CB 0.647 30.449 29.762 0.068 0.000 1.449 177 H HN 0.109 nan 8.280 nan 0.000 0.581 178 G N 3.251 111.687 108.800 -0.606 0.000 2.428 178 G HA2 0.555 4.515 3.960 -0.000 0.000 0.320 178 G HA3 0.555 4.515 3.960 -0.000 0.000 0.320 178 G C -0.363 174.070 174.900 -0.777 0.000 1.098 178 G CA 0.162 44.975 45.100 -0.478 0.000 0.984 178 G HN 0.971 nan 8.290 nan 0.000 0.444 179 G N 1.121 109.605 108.800 -0.527 0.000 2.369 179 G HA2 0.272 4.232 3.960 -0.000 0.000 0.307 179 G HA3 0.272 4.232 3.960 -0.000 0.000 0.307 179 G C -1.197 173.684 174.900 -0.033 0.000 1.327 179 G CA -1.081 43.786 45.100 -0.387 0.000 0.963 179 G HN 0.439 nan 8.290 nan 0.000 0.590 180 Y N 0.020 120.295 120.300 -0.041 0.000 2.295 180 Y HA 0.786 5.336 4.550 -0.000 0.000 0.331 180 Y C 1.123 176.991 175.900 -0.055 0.000 1.311 180 Y CA -0.857 57.120 58.100 -0.206 0.000 1.430 180 Y CB 1.542 39.491 38.460 -0.852 0.000 1.339 180 Y HN 0.517 nan 8.280 nan 0.000 0.552 181 S N -0.029 115.764 115.700 0.156 0.000 2.549 181 S HA 0.743 5.213 4.470 -0.000 0.000 0.280 181 S C -1.463 173.289 174.600 0.253 0.000 1.109 181 S CA -0.755 57.563 58.200 0.196 0.000 0.905 181 S CB 1.815 65.183 63.200 0.280 0.000 1.081 181 S HN 0.297 nan 8.310 nan 0.000 0.477 182 V N 3.074 123.160 119.914 0.287 0.000 2.588 182 V HA 0.564 4.684 4.120 -0.000 0.000 0.304 182 V C -1.319 174.965 176.094 0.317 0.000 1.042 182 V CA -0.658 61.810 62.300 0.281 0.000 0.877 182 V CB 1.486 33.445 31.823 0.226 0.000 0.996 182 V HN 0.834 nan 8.190 nan 0.000 0.425 183 F N 3.967 124.003 119.950 0.144 0.000 2.427 183 F HA 0.801 5.328 4.527 -0.000 0.000 0.348 183 F C 0.222 175.971 175.800 -0.085 0.000 1.125 183 F CA -0.581 57.473 58.000 0.090 0.000 0.989 183 F CB 1.338 40.379 39.000 0.069 0.000 1.165 183 F HN 0.574 nan 8.300 nan 0.000 0.442 184 A N 4.422 126.974 122.820 -0.447 0.000 2.258 184 A HA 0.665 4.985 4.320 -0.000 0.000 0.316 184 A C -0.033 177.215 177.584 -0.559 0.000 1.279 184 A CA -0.340 51.457 52.037 -0.400 0.000 0.876 184 A CB 0.337 19.167 19.000 -0.282 0.000 1.170 184 A HN 1.005 nan 8.150 nan 0.000 0.520 185 G N 1.252 109.705 108.800 -0.579 0.000 2.327 185 G HA2 0.512 4.472 3.960 -0.000 0.000 0.302 185 G HA3 0.512 4.472 3.960 -0.000 0.000 0.302 185 G C -0.713 174.094 174.900 -0.155 0.000 1.113 185 G CA -0.183 44.743 45.100 -0.290 0.000 0.921 185 G HN 0.724 nan 8.290 nan 0.000 0.425 186 V N 2.476 122.345 119.914 -0.075 0.000 2.407 186 V HA 0.621 4.741 4.120 -0.000 0.000 0.291 186 V C 1.117 177.226 176.094 0.024 0.000 1.018 186 V CA 0.321 62.605 62.300 -0.027 0.000 0.842 186 V CB 1.050 32.843 31.823 -0.049 0.000 0.996 186 V HN 1.396 nan 8.190 nan 0.000 0.426 187 G N 3.348 112.171 108.800 0.038 0.000 2.233 187 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.270 187 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.270 187 G C 0.221 175.152 174.900 0.053 0.000 1.011 187 G CA 0.636 45.759 45.100 0.038 0.000 0.762 187 G HN 0.602 nan 8.290 nan 0.000 0.511 188 E N -0.630 119.622 120.200 0.087 0.000 2.819 188 E HA 0.469 4.819 4.350 -0.000 0.000 0.241 188 E C 1.013 177.673 176.600 0.100 0.000 0.987 188 E CA -0.926 55.532 56.400 0.096 0.000 1.024 188 E CB 0.426 30.201 29.700 0.126 0.000 1.448 188 E HN 0.403 nan 8.360 nan 0.000 0.484 189 R N 0.160 120.719 120.500 0.098 0.000 2.438 189 R HA 0.193 4.533 4.340 -0.000 0.000 0.287 189 R C 1.140 177.487 176.300 0.079 0.000 1.077 189 R CA 0.075 56.220 56.100 0.075 0.000 1.034 189 R CB 0.345 30.682 30.300 0.062 0.000 0.993 189 R HN 0.395 nan 8.270 nan 0.000 0.459 190 T N 2.172 116.748 114.554 0.036 0.000 2.770 190 T HA -0.142 4.208 4.350 -0.000 0.000 0.263 190 T C 1.792 176.461 174.700 -0.053 0.000 1.039 190 T CA 1.154 63.245 62.100 -0.015 0.000 1.142 190 T CB -0.120 68.730 68.868 -0.029 0.000 0.868 190 T HN 0.581 nan 8.240 nan 0.000 0.435 191 R N 1.296 121.779 120.500 -0.029 0.000 2.133 191 R HA -0.206 4.134 4.340 -0.000 0.000 0.247 191 R C 2.049 178.332 176.300 -0.029 0.000 1.151 191 R CA 1.995 58.073 56.100 -0.036 0.000 0.971 191 R CB -0.211 30.082 30.300 -0.011 0.000 0.866 191 R HN 0.485 nan 8.270 nan 0.000 0.447 192 E N -0.894 119.313 120.200 0.012 0.000 2.110 192 E HA -0.111 4.239 4.350 -0.000 0.000 0.193 192 E C 1.919 178.518 176.600 -0.001 0.000 0.988 192 E CA 1.053 57.475 56.400 0.037 0.000 0.804 192 E CB -0.210 29.551 29.700 0.101 0.000 0.745 192 E HN 0.634 nan 8.360 nan 0.000 0.458 193 G N 1.155 109.920 108.800 -0.058 0.000 2.446 193 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.217 193 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.217 193 G C 1.457 176.217 174.900 -0.233 0.000 1.168 193 G CA 1.181 46.090 45.100 -0.319 0.000 0.771 193 G HN 0.209 nan 8.290 nan 0.000 0.551 194 N N 0.496 119.090 118.700 -0.176 0.000 2.142 194 N HA -0.082 4.658 4.740 -0.000 0.000 0.186 194 N C 1.742 177.208 175.510 -0.072 0.000 1.023 194 N CA 1.560 54.534 53.050 -0.128 0.000 0.852 194 N CB -0.140 38.238 38.487 -0.183 0.000 0.998 194 N HN 0.158 nan 8.380 nan 0.000 0.424 195 D N 0.047 120.409 120.400 -0.063 0.000 2.087 195 D HA -0.163 4.477 4.640 -0.000 0.000 0.192 195 D C 1.885 178.188 176.300 0.005 0.000 0.993 195 D CA 0.793 54.775 54.000 -0.030 0.000 0.828 195 D CB -0.602 40.189 40.800 -0.016 0.000 0.968 195 D HN 0.214 nan 8.370 nan 0.000 0.448 196 L N -0.160 121.052 121.223 -0.018 0.000 2.012 196 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 196 L C 2.232 179.129 176.870 0.046 0.000 1.073 196 L CA 1.571 56.382 54.840 -0.049 0.000 0.748 196 L CB -0.795 41.161 42.059 -0.172 0.000 0.891 196 L HN 0.083 nan 8.230 nan 0.000 0.431 197 Y N -0.063 120.216 120.300 -0.035 0.000 2.081 197 Y HA -0.320 4.230 4.550 -0.000 0.000 0.280 197 Y C 2.731 178.665 175.900 0.057 0.000 1.163 197 Y CA 2.296 60.413 58.100 0.029 0.000 1.135 197 Y CB -0.669 37.854 38.460 0.106 0.000 0.970 197 Y HN 0.405 nan 8.280 nan 0.000 0.498 198 H N -0.776 118.245 119.070 -0.083 0.000 2.462 198 H HA -0.083 4.473 4.556 -0.000 0.000 0.292 198 H C 1.886 177.130 175.328 -0.140 0.000 1.049 198 H CA 1.242 57.185 56.048 -0.175 0.000 1.334 198 H CB 0.220 29.934 29.762 -0.079 0.000 1.404 198 H HN 0.538 nan 8.280 nan 0.000 0.544 199 E N 0.422 120.630 120.200 0.013 0.000 2.107 199 E HA -0.091 4.259 4.350 -0.000 0.000 0.191 199 E C 2.093 178.651 176.600 -0.071 0.000 0.982 199 E CA 0.540 56.920 56.400 -0.034 0.000 0.809 199 E CB 0.130 29.811 29.700 -0.033 0.000 0.756 199 E HN 0.375 nan 8.360 nan 0.000 0.459 200 M N 0.129 119.678 119.600 -0.085 0.000 2.254 200 M HA -0.078 4.402 4.480 -0.000 0.000 0.265 200 M C 2.099 178.321 176.300 -0.130 0.000 1.066 200 M CA 1.015 56.260 55.300 -0.092 0.000 1.123 200 M CB 0.034 32.597 32.600 -0.062 0.000 1.388 200 M HN 0.124 nan 8.290 nan 0.000 0.425 201 I N 0.073 120.510 120.570 -0.222 0.000 2.202 201 I HA -0.270 3.900 4.170 -0.000 0.000 0.242 201 I C 2.364 178.382 176.117 -0.165 0.000 1.091 201 I CA 1.095 62.241 61.300 -0.256 0.000 1.368 201 I CB -0.289 37.450 38.000 -0.436 0.000 1.058 201 I HN 0.246 nan 8.210 nan 0.000 0.410 202 E N 0.444 120.560 120.200 -0.139 0.000 2.077 202 E HA -0.210 4.139 4.350 -0.000 0.000 0.193 202 E C 2.211 178.768 176.600 -0.071 0.000 0.989 202 E CA 1.773 58.117 56.400 -0.093 0.000 0.800 202 E CB -0.537 29.121 29.700 -0.070 0.000 0.746 202 E HN 0.508 nan 8.360 nan 0.000 0.452 203 S N -0.495 115.165 115.700 -0.066 0.000 2.603 203 S HA 0.108 4.578 4.470 -0.000 0.000 0.229 203 S C 1.649 176.222 174.600 -0.045 0.000 0.972 203 S CA 0.918 59.089 58.200 -0.049 0.000 0.935 203 S CB -0.165 63.008 63.200 -0.045 0.000 0.769 203 S HN 0.378 nan 8.310 nan 0.000 0.536 204 G N 0.375 109.141 108.800 -0.058 0.000 2.257 204 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.267 204 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.267 204 G C 0.865 175.745 174.900 -0.034 0.000 0.984 204 G CA 0.415 45.487 45.100 -0.048 0.000 0.626 204 G HN 0.667 nan 8.290 nan 0.000 0.540 205 V N 0.313 120.210 119.914 -0.029 0.000 2.380 205 V HA -0.011 4.109 4.120 -0.000 0.000 0.251 205 V C 1.615 177.707 176.094 -0.004 0.000 1.063 205 V CA 2.135 64.432 62.300 -0.006 0.000 1.055 205 V CB -0.147 31.674 31.823 -0.004 0.000 0.657 205 V HN 0.516 nan 8.190 nan 0.000 0.455 206 I N 0.329 120.878 120.570 -0.036 0.000 2.441 206 I HA 0.329 4.498 4.170 -0.000 0.000 0.295 206 I C -0.211 175.868 176.117 -0.062 0.000 0.994 206 I CA -0.243 61.036 61.300 -0.035 0.000 1.144 206 I CB 1.541 39.516 38.000 -0.043 0.000 1.314 206 I HN 0.105 nan 8.210 nan 0.000 0.445 207 N N 6.243 124.919 118.700 -0.040 0.000 2.399 207 N HA 0.371 5.111 4.740 -0.000 0.000 0.280 207 N C 0.033 175.516 175.510 -0.045 0.000 1.008 207 N CA -0.424 52.597 53.050 -0.049 0.000 0.894 207 N CB 1.903 40.373 38.487 -0.029 0.000 1.273 207 N HN 0.537 nan 8.380 nan 0.000 0.486 208 L N 2.345 123.528 121.223 -0.066 0.000 2.446 208 L HA 0.184 4.524 4.340 -0.000 0.000 0.219 208 L C 1.715 178.567 176.870 -0.029 0.000 1.116 208 L CA 0.477 55.289 54.840 -0.047 0.000 0.844 208 L CB 0.043 42.060 42.059 -0.070 0.000 0.970 208 L HN 0.302 nan 8.230 nan 0.000 0.457 209 K N 0.544 120.924 120.400 -0.032 0.000 2.393 209 K HA 0.122 4.442 4.320 -0.000 0.000 0.193 209 K C -0.316 176.275 176.600 -0.014 0.000 1.026 209 K CA 0.359 56.633 56.287 -0.022 0.000 1.064 209 K CB 0.148 32.633 32.500 -0.026 0.000 0.833 209 K HN 0.541 nan 8.250 nan 0.000 0.521 210 D N -2.076 118.317 120.400 -0.012 0.000 3.103 210 D HA 0.289 4.929 4.640 -0.000 0.000 0.337 210 D C -0.822 175.477 176.300 -0.001 0.000 1.356 210 D CA -0.827 53.171 54.000 -0.005 0.000 0.951 210 D CB 0.287 41.085 40.800 -0.003 0.000 1.438 210 D HN -0.182 nan 8.370 nan 0.000 0.562 211 A N -0.223 122.600 122.820 0.006 0.000 3.003 211 A HA 0.414 4.734 4.320 -0.000 0.000 0.301 211 A C 0.786 178.382 177.584 0.020 0.000 1.280 211 A CA 0.094 52.137 52.037 0.010 0.000 0.973 211 A CB -0.975 18.034 19.000 0.015 0.000 1.110 211 A HN 0.524 nan 8.150 nan 0.000 0.590 212 T N -2.559 112.005 114.554 0.016 0.000 3.122 212 T HA 0.151 4.501 4.350 -0.000 0.000 0.250 212 T C 0.592 175.312 174.700 0.033 0.000 1.067 212 T CA 0.167 62.283 62.100 0.028 0.000 0.966 212 T CB -0.306 68.571 68.868 0.016 0.000 1.002 212 T HN 0.241 nan 8.240 nan 0.000 0.542 213 S N 2.195 117.906 115.700 0.018 0.000 2.533 213 S HA 0.268 4.738 4.470 -0.000 0.000 0.282 213 S C 0.792 175.408 174.600 0.027 0.000 1.304 213 S CA -0.641 57.569 58.200 0.018 0.000 1.063 213 S CB 0.975 64.180 63.200 0.009 0.000 0.881 213 S HN 0.238 nan 8.310 nan 0.000 0.493 214 K N 1.221 121.659 120.400 0.063 0.000 2.413 214 K HA 0.277 4.597 4.320 -0.000 0.000 0.204 214 K C -0.814 175.855 176.600 0.116 0.000 1.041 214 K CA 0.147 56.514 56.287 0.134 0.000 1.082 214 K CB 0.874 33.467 32.500 0.155 0.000 0.871 214 K HN 0.413 nan 8.250 nan 0.000 0.535 215 V N 1.174 121.137 119.914 0.082 0.000 2.569 215 V HA 0.428 4.548 4.120 -0.000 0.000 0.301 215 V C -0.695 175.479 176.094 0.133 0.000 1.044 215 V CA -1.197 61.178 62.300 0.125 0.000 0.874 215 V CB 1.665 33.564 31.823 0.126 0.000 1.002 215 V HN 0.148 nan 8.190 nan 0.000 0.424 216 A N 6.053 128.983 122.820 0.183 0.000 2.306 216 A HA 0.917 5.237 4.320 -0.000 0.000 0.314 216 A C -0.760 176.945 177.584 0.202 0.000 1.164 216 A CA -0.454 51.693 52.037 0.184 0.000 0.822 216 A CB 0.729 19.864 19.000 0.224 0.000 1.130 216 A HN 0.785 nan 8.150 nan 0.000 0.496 217 L N 2.179 123.514 121.223 0.187 0.000 2.346 217 L HA 0.654 4.994 4.340 -0.000 0.000 0.274 217 L C -1.048 175.922 176.870 0.167 0.000 1.007 217 L CA -0.928 54.051 54.840 0.232 0.000 0.818 217 L CB 1.988 44.243 42.059 0.327 0.000 1.284 217 L HN 0.421 nan 8.230 nan 0.000 0.424 218 V N 2.441 122.400 119.914 0.075 0.000 2.577 218 V HA 0.448 4.568 4.120 -0.000 0.000 0.303 218 V C -1.328 174.697 176.094 -0.115 0.000 1.042 218 V CA -0.642 61.670 62.300 0.020 0.000 0.872 218 V CB 1.874 33.675 31.823 -0.036 0.000 0.998 218 V HN 0.452 nan 8.190 nan 0.000 0.423 219 Y N 1.573 121.894 120.300 0.036 0.000 2.425 219 Y HA 0.750 5.300 4.550 -0.000 0.000 0.344 219 Y C 0.645 176.558 175.900 0.021 0.000 0.969 219 Y CA -0.615 57.510 58.100 0.040 0.000 1.052 219 Y CB 2.769 41.244 38.460 0.026 0.000 1.215 219 Y HN 0.702 nan 8.280 nan 0.000 0.451 220 G N 3.556 112.445 108.800 0.149 0.000 4.184 220 G HA2 0.221 4.181 3.960 -0.000 0.000 0.282 220 G HA3 0.221 4.181 3.960 -0.000 0.000 0.282 220 G C -0.782 174.177 174.900 0.098 0.000 1.223 220 G CA -0.558 44.600 45.100 0.096 0.000 0.773 220 G HN 0.324 nan 8.290 nan 0.000 0.519 221 Q N 0.427 120.309 119.800 0.137 0.000 2.544 221 Q HA 0.276 4.616 4.340 -0.000 0.000 0.194 221 Q C 1.892 177.929 176.000 0.062 0.000 1.104 221 Q CA -0.429 55.443 55.803 0.115 0.000 1.131 221 Q CB 0.568 29.384 28.738 0.131 0.000 1.210 221 Q HN 0.459 nan 8.270 nan 0.000 0.639 222 M N 1.186 120.816 119.600 0.050 0.000 2.446 222 M HA -0.159 4.321 4.480 -0.000 0.000 0.263 222 M C 1.237 177.549 176.300 0.020 0.000 1.066 222 M CA 0.979 56.296 55.300 0.028 0.000 1.087 222 M CB -0.355 32.258 32.600 0.022 0.000 1.406 222 M HN 0.508 nan 8.290 nan 0.000 0.459 223 N N 0.149 118.862 118.700 0.022 0.000 2.461 223 N HA -0.016 4.724 4.740 -0.000 0.000 0.188 223 N C -0.074 175.444 175.510 0.014 0.000 1.134 223 N CA 0.484 53.542 53.050 0.014 0.000 0.878 223 N CB -0.062 38.432 38.487 0.011 0.000 0.972 223 N HN 0.256 nan 8.380 nan 0.000 0.456 224 E N 1.486 121.697 120.200 0.018 0.000 2.250 224 E HA 0.404 4.754 4.350 -0.000 0.000 0.269 224 E C -2.268 174.337 176.600 0.008 0.000 1.018 224 E CA -1.948 54.461 56.400 0.015 0.000 0.873 224 E CB 0.964 30.678 29.700 0.023 0.000 1.134 224 E HN 0.176 nan 8.360 nan 0.000 0.403 225 P HA 0.112 nan 4.420 nan 0.000 0.274 225 P C -1.957 175.338 177.300 -0.008 0.000 1.246 225 P CA -1.189 61.911 63.100 -0.001 0.000 0.795 225 P CB 0.016 31.716 31.700 0.000 0.000 1.006 226 P HA -0.216 nan 4.420 nan 0.000 0.215 226 P C 1.643 178.923 177.300 -0.032 0.000 1.157 226 P CA 2.159 65.240 63.100 -0.032 0.000 0.874 226 P CB -0.764 30.912 31.700 -0.040 0.000 0.790 227 G N 0.397 109.185 108.800 -0.019 0.000 2.476 227 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.218 227 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.218 227 G C 1.839 176.738 174.900 -0.002 0.000 1.164 227 G CA 1.501 46.594 45.100 -0.011 0.000 0.768 227 G HN 0.406 nan 8.290 nan 0.000 0.560 228 A N 0.913 123.735 122.820 0.004 0.000 1.851 228 A HA -0.060 4.260 4.320 -0.000 0.000 0.216 228 A C 2.439 180.030 177.584 0.011 0.000 1.195 228 A CA 1.829 53.873 52.037 0.012 0.000 0.622 228 A CB -0.505 18.505 19.000 0.016 0.000 0.831 228 A HN 0.358 nan 8.150 nan 0.000 0.444 229 R N -0.551 119.951 120.500 0.004 0.000 2.159 229 R HA -0.079 4.261 4.340 -0.000 0.000 0.237 229 R C 2.196 178.501 176.300 0.008 0.000 1.131 229 R CA 1.065 57.167 56.100 0.003 0.000 0.982 229 R CB -0.406 29.888 30.300 -0.011 0.000 0.868 229 R HN 0.530 nan 8.270 nan 0.000 0.453 230 A N 0.460 123.267 122.820 -0.022 0.000 2.119 230 A HA -0.025 4.295 4.320 -0.000 0.000 0.216 230 A C 1.756 179.389 177.584 0.082 0.000 1.152 230 A CA 0.806 52.810 52.037 -0.054 0.000 0.708 230 A CB 0.099 19.015 19.000 -0.141 0.000 0.805 230 A HN 0.084 nan 8.150 nan 0.000 0.460 231 R N -0.885 119.654 120.500 0.064 0.000 2.316 231 R HA 0.078 4.418 4.340 -0.000 0.000 0.201 231 R C 1.911 178.222 176.300 0.018 0.000 0.888 231 R CA 1.165 57.298 56.100 0.055 0.000 1.041 231 R CB -0.629 29.683 30.300 0.020 0.000 1.115 231 R HN 0.446 nan 8.270 nan 0.000 0.559 232 V N 0.782 120.704 119.914 0.015 0.000 2.250 232 V HA -0.267 3.853 4.120 -0.000 0.000 0.250 232 V C 2.529 178.592 176.094 -0.051 0.000 1.060 232 V CA 2.213 64.502 62.300 -0.018 0.000 1.030 232 V CB -1.503 30.310 31.823 -0.016 0.000 0.643 232 V HN 0.208 nan 8.190 nan 0.000 0.445 233 A N 0.688 123.476 122.820 -0.052 0.000 1.948 233 A HA -0.147 4.173 4.320 -0.000 0.000 0.220 233 A C 2.259 179.759 177.584 -0.140 0.000 1.177 233 A CA 2.363 54.327 52.037 -0.123 0.000 0.636 233 A CB -0.733 18.164 19.000 -0.171 0.000 0.815 233 A HN 0.610 nan 8.150 nan 0.000 0.449 234 L N -1.147 120.011 121.223 -0.108 0.000 2.141 234 L HA -0.135 4.205 4.340 -0.000 0.000 0.209 234 L C 2.696 179.493 176.870 -0.121 0.000 1.094 234 L CA 1.662 56.420 54.840 -0.136 0.000 0.763 234 L CB -1.181 40.779 42.059 -0.164 0.000 0.908 234 L HN 0.338 nan 8.230 nan 0.000 0.437 235 T N 0.047 114.542 114.554 -0.097 0.000 2.701 235 T HA -0.101 4.249 4.350 -0.000 0.000 0.263 235 T C 1.903 176.556 174.700 -0.080 0.000 1.040 235 T CA 1.411 63.463 62.100 -0.080 0.000 1.147 235 T CB -0.494 68.341 68.868 -0.055 0.000 0.865 235 T HN 0.539 nan 8.240 nan 0.000 0.426 236 G N 1.910 110.658 108.800 -0.088 0.000 2.480 236 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.216 236 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.216 236 G C 1.555 176.410 174.900 -0.075 0.000 1.200 236 G CA 1.167 46.217 45.100 -0.084 0.000 0.782 236 G HN 0.455 nan 8.290 nan 0.000 0.554 237 L N 0.816 121.978 121.223 -0.101 0.000 2.043 237 L HA -0.090 4.250 4.340 -0.000 0.000 0.212 237 L C 2.750 179.579 176.870 -0.068 0.000 1.075 237 L CA 2.922 57.705 54.840 -0.095 0.000 0.752 237 L CB -1.040 40.941 42.059 -0.130 0.000 0.891 237 L HN 0.203 nan 8.230 nan 0.000 0.432 238 T N -1.032 113.478 114.554 -0.073 0.000 2.777 238 T HA -0.121 4.229 4.350 -0.000 0.000 0.266 238 T C 1.954 176.613 174.700 -0.069 0.000 1.040 238 T CA 1.472 63.536 62.100 -0.059 0.000 1.141 238 T CB -0.308 68.522 68.868 -0.063 0.000 0.868 238 T HN 0.229 nan 8.240 nan 0.000 0.444 239 V N 1.954 121.807 119.914 -0.102 0.000 2.233 239 V HA -0.227 3.893 4.120 -0.000 0.000 0.247 239 V C 2.922 178.919 176.094 -0.162 0.000 1.050 239 V CA 1.918 64.103 62.300 -0.191 0.000 1.010 239 V CB -1.307 30.431 31.823 -0.142 0.000 0.637 239 V HN 0.531 nan 8.190 nan 0.000 0.444 240 A N -0.765 122.063 122.820 0.013 0.000 1.948 240 A HA -0.301 4.019 4.320 -0.000 0.000 0.220 240 A C 2.172 179.824 177.584 0.113 0.000 1.177 240 A CA 2.171 54.302 52.037 0.157 0.000 0.636 240 A CB -0.577 18.481 19.000 0.097 0.000 0.815 240 A HN 0.660 nan 8.150 nan 0.000 0.449 241 E N -1.897 118.322 120.200 0.031 0.000 2.110 241 E HA -0.211 4.139 4.350 -0.000 0.000 0.193 241 E C 1.800 178.416 176.600 0.028 0.000 0.988 241 E CA 1.382 57.796 56.400 0.024 0.000 0.804 241 E CB -0.280 29.420 29.700 0.000 0.000 0.745 241 E HN 0.811 nan 8.360 nan 0.000 0.458 242 Y N 0.452 120.683 120.300 -0.115 0.000 2.070 242 Y HA -0.286 4.264 4.550 -0.000 0.000 0.280 242 Y C 1.881 177.767 175.900 -0.023 0.000 1.148 242 Y CA 1.728 59.744 58.100 -0.140 0.000 1.125 242 Y CB -0.364 37.906 38.460 -0.317 0.000 0.975 242 Y HN -0.034 nan 8.280 nan 0.000 0.492 243 F N 0.427 120.523 119.950 0.243 0.000 2.236 243 F HA -0.214 4.313 4.527 -0.000 0.000 0.302 243 F C 2.669 178.497 175.800 0.047 0.000 1.073 243 F CA 1.741 59.863 58.000 0.204 0.000 1.336 243 F CB -0.825 38.349 39.000 0.291 0.000 1.040 243 F HN 0.082 nan 8.300 nan 0.000 0.507 244 R N 0.305 120.914 120.500 0.182 0.000 2.057 244 R HA -0.113 4.227 4.340 -0.000 0.000 0.229 244 R C 1.720 178.018 176.300 -0.004 0.000 1.136 244 R CA 1.798 57.945 56.100 0.078 0.000 0.952 244 R CB -0.279 30.052 30.300 0.052 0.000 0.848 244 R HN 0.132 nan 8.270 nan 0.000 0.430 245 D N 0.324 120.684 120.400 -0.067 0.000 2.162 245 D HA -0.074 4.566 4.640 -0.000 0.000 0.205 245 D C 1.136 177.340 176.300 -0.160 0.000 0.964 245 D CA 0.867 54.804 54.000 -0.104 0.000 0.847 245 D CB 0.009 40.742 40.800 -0.111 0.000 0.988 245 D HN 0.176 nan 8.370 nan 0.000 0.480 246 Q N 0.483 120.098 119.800 -0.308 0.000 2.239 246 Q HA 0.151 4.491 4.340 -0.000 0.000 0.219 246 Q C 0.332 176.249 176.000 -0.139 0.000 0.901 246 Q CA 0.299 55.894 55.803 -0.347 0.000 0.949 246 Q CB 0.654 28.860 28.738 -0.888 0.000 1.038 246 Q HN 0.495 nan 8.270 nan 0.000 0.458 247 E N -1.788 118.379 120.200 -0.054 0.000 2.330 247 E HA 0.087 4.437 4.350 -0.000 0.000 0.204 247 E C 0.772 177.367 176.600 -0.009 0.000 1.024 247 E CA 0.370 56.775 56.400 0.008 0.000 1.545 247 E CB 0.397 30.151 29.700 0.090 0.000 3.224 247 E HN 0.283 nan 8.360 nan 0.000 1.075 248 G N 2.348 111.143 108.800 -0.008 0.000 2.245 248 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.264 248 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.264 248 G C 0.366 175.260 174.900 -0.010 0.000 0.985 248 G CA 0.978 46.071 45.100 -0.012 0.000 0.625 248 G HN 0.263 nan 8.290 nan 0.000 0.536 249 Q N 1.248 121.038 119.800 -0.017 0.000 2.315 249 Q HA 0.203 4.543 4.340 -0.000 0.000 0.289 249 Q C -0.526 175.468 176.000 -0.010 0.000 1.044 249 Q CA 0.258 56.030 55.803 -0.053 0.000 0.920 249 Q CB 0.106 28.761 28.738 -0.138 0.000 1.214 249 Q HN 0.433 nan 8.270 nan 0.000 0.392 250 D N 2.786 123.186 120.400 0.001 0.000 2.426 250 D HA 0.073 4.713 4.640 -0.000 0.000 0.261 250 D C -0.865 175.533 176.300 0.162 0.000 1.245 250 D CA 0.233 54.286 54.000 0.088 0.000 0.917 250 D CB 0.480 41.364 40.800 0.139 0.000 1.123 250 D HN 0.142 nan 8.370 nan 0.000 0.508 251 V N 4.062 124.028 119.914 0.088 0.000 2.394 251 V HA 0.242 4.362 4.120 -0.000 0.000 0.282 251 V C 0.393 176.442 176.094 -0.074 0.000 1.031 251 V CA -0.825 61.514 62.300 0.066 0.000 0.881 251 V CB 1.319 33.220 31.823 0.129 0.000 0.982 251 V HN 0.419 nan 8.190 nan 0.000 0.451 252 L N 5.545 126.655 121.223 -0.189 0.000 2.289 252 L HA 0.543 4.883 4.340 -0.000 0.000 0.285 252 L C -0.663 176.042 176.870 -0.276 0.000 1.049 252 L CA -0.538 54.096 54.840 -0.342 0.000 0.804 252 L CB 1.559 43.374 42.059 -0.407 0.000 1.195 252 L HN 0.485 nan 8.230 nan 0.000 0.428 253 L N 4.449 125.396 121.223 -0.461 0.000 2.372 253 L HA 0.557 4.897 4.340 -0.000 0.000 0.274 253 L C -1.359 175.185 176.870 -0.544 0.000 0.988 253 L CA 0.094 54.741 54.840 -0.322 0.000 0.833 253 L CB 1.209 43.152 42.059 -0.193 0.000 1.236 253 L HN 0.181 nan 8.230 nan 0.000 0.410 254 F N 6.003 125.866 119.950 -0.146 0.000 2.444 254 F HA 0.634 5.161 4.527 -0.000 0.000 0.342 254 F C -0.043 175.418 175.800 -0.564 0.000 1.121 254 F CA -0.552 57.297 58.000 -0.251 0.000 0.997 254 F CB 1.456 40.415 39.000 -0.068 0.000 1.130 254 F HN 0.225 nan 8.300 nan 0.000 0.454 255 I N 2.930 123.308 120.570 -0.319 0.000 2.447 255 I HA 0.295 4.464 4.170 -0.000 0.000 0.287 255 I C -1.340 174.593 176.117 -0.307 0.000 1.023 255 I CA -0.514 60.541 61.300 -0.407 0.000 1.083 255 I CB 1.938 39.768 38.000 -0.284 0.000 1.245 255 I HN 0.440 nan 8.210 nan 0.000 0.434 256 D N 6.506 126.699 120.400 -0.344 0.000 2.542 256 D HA 0.259 4.899 4.640 -0.000 0.000 0.252 256 D C -1.342 174.938 176.300 -0.032 0.000 1.222 256 D CA -0.298 53.648 54.000 -0.090 0.000 0.895 256 D CB 1.374 42.215 40.800 0.067 0.000 1.207 256 D HN 0.396 nan 8.370 nan 0.000 0.558 257 N N 4.405 123.109 118.700 0.007 0.000 2.354 257 N HA 0.159 4.899 4.740 -0.000 0.000 0.287 257 N C 0.692 176.221 175.510 0.032 0.000 1.016 257 N CA -0.509 52.560 53.050 0.032 0.000 0.871 257 N CB 1.593 40.148 38.487 0.113 0.000 1.299 257 N HN 0.354 nan 8.380 nan 0.000 0.482 258 I N 4.151 124.708 120.570 -0.021 0.000 2.700 258 I HA -0.119 4.051 4.170 -0.000 0.000 0.261 258 I C 1.575 177.741 176.117 0.082 0.000 1.219 258 I CA 0.756 62.034 61.300 -0.036 0.000 1.463 258 I CB -0.574 37.340 38.000 -0.144 0.000 1.092 258 I HN 0.595 nan 8.210 nan 0.000 0.452 259 F N 1.513 121.468 119.950 0.008 0.000 2.216 259 F HA -0.199 4.328 4.527 -0.000 0.000 0.300 259 F C 2.287 178.162 175.800 0.125 0.000 1.085 259 F CA 1.439 59.490 58.000 0.085 0.000 1.326 259 F CB -0.381 38.716 39.000 0.163 0.000 1.027 259 F HN 0.008 nan 8.300 nan 0.000 0.497 260 R N -0.144 120.347 120.500 -0.013 0.000 2.193 260 R HA -0.208 4.132 4.340 -0.000 0.000 0.229 260 R C 2.169 178.404 176.300 -0.109 0.000 1.110 260 R CA 1.315 57.333 56.100 -0.136 0.000 0.988 260 R CB -1.774 28.524 30.300 -0.003 0.000 0.871 260 R HN 0.490 nan 8.270 nan 0.000 0.458 261 F N 1.743 121.583 119.950 -0.183 0.000 2.146 261 F HA -0.150 4.377 4.527 -0.000 0.000 0.298 261 F C 1.873 177.569 175.800 -0.173 0.000 1.096 261 F CA 1.526 59.438 58.000 -0.147 0.000 1.275 261 F CB -0.154 38.775 39.000 -0.119 0.000 1.008 261 F HN -0.125 nan 8.300 nan 0.000 0.480 262 T N 0.052 114.536 114.554 -0.116 0.000 2.770 262 T HA -0.215 4.134 4.350 -0.000 0.000 0.263 262 T C 1.885 176.409 174.700 -0.294 0.000 1.039 262 T CA 1.416 63.383 62.100 -0.221 0.000 1.142 262 T CB -0.457 68.359 68.868 -0.087 0.000 0.868 262 T HN 0.432 nan 8.240 nan 0.000 0.435 263 Q N 0.892 120.350 119.800 -0.570 0.000 2.135 263 Q HA -0.121 4.218 4.340 -0.000 0.000 0.204 263 Q C 2.390 178.261 176.000 -0.216 0.000 0.981 263 Q CA 1.497 57.050 55.803 -0.417 0.000 0.856 263 Q CB -0.300 28.061 28.738 -0.628 0.000 0.902 263 Q HN 0.537 nan 8.270 nan 0.000 0.425 264 A N 0.461 123.142 122.820 -0.232 0.000 1.902 264 A HA -0.087 4.233 4.320 -0.000 0.000 0.217 264 A C 2.267 179.753 177.584 -0.163 0.000 1.181 264 A CA 1.542 53.479 52.037 -0.166 0.000 0.623 264 A CB -1.318 17.589 19.000 -0.155 0.000 0.818 264 A HN 0.602 nan 8.150 nan 0.000 0.443 265 G N 0.147 108.809 108.800 -0.230 0.000 2.459 265 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.217 265 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.217 265 G C 2.015 176.857 174.900 -0.096 0.000 1.183 265 G CA 2.053 47.036 45.100 -0.195 0.000 0.776 265 G HN 0.959 nan 8.290 nan 0.000 0.552 266 S N 0.401 116.068 115.700 -0.055 0.000 2.420 266 S HA -0.134 4.336 4.470 -0.000 0.000 0.237 266 S C 1.989 176.563 174.600 -0.043 0.000 1.023 266 S CA 1.880 60.072 58.200 -0.014 0.000 0.991 266 S CB -0.361 62.850 63.200 0.019 0.000 0.792 266 S HN 0.577 nan 8.310 nan 0.000 0.488 267 E N 0.355 120.520 120.200 -0.059 0.000 2.150 267 E HA -0.060 4.290 4.350 -0.000 0.000 0.193 267 E C 1.761 178.337 176.600 -0.040 0.000 0.985 267 E CA 1.413 57.784 56.400 -0.049 0.000 0.814 267 E CB 0.001 29.670 29.700 -0.052 0.000 0.752 267 E HN 0.731 nan 8.360 nan 0.000 0.466 268 V N -3.047 116.841 119.914 -0.045 0.000 3.528 268 V HA 0.198 4.318 4.120 -0.000 0.000 0.294 268 V C 1.752 177.830 176.094 -0.027 0.000 1.404 268 V CA 0.320 62.600 62.300 -0.033 0.000 1.065 268 V CB 0.751 32.552 31.823 -0.036 0.000 0.904 268 V HN 0.012 nan 8.190 nan 0.000 0.435 269 S N 2.009 117.692 115.700 -0.028 0.000 2.351 269 S HA -0.193 4.277 4.470 -0.000 0.000 0.220 269 S C 2.224 176.817 174.600 -0.011 0.000 1.035 269 S CA 2.483 60.672 58.200 -0.018 0.000 1.031 269 S CB -0.455 62.739 63.200 -0.009 0.000 0.928 269 S HN 1.036 nan 8.310 nan 0.000 0.433 270 A N 1.191 124.005 122.820 -0.010 0.000 1.940 270 A HA 0.008 4.328 4.320 -0.000 0.000 0.219 270 A C 2.156 179.737 177.584 -0.005 0.000 1.176 270 A CA 1.546 53.579 52.037 -0.006 0.000 0.631 270 A CB -0.807 18.188 19.000 -0.007 0.000 0.814 270 A HN 0.604 nan 8.150 nan 0.000 0.446 271 L N -0.856 120.362 121.223 -0.008 0.000 2.275 271 L HA -0.063 4.277 4.340 -0.000 0.000 0.215 271 L C 1.990 178.859 176.870 -0.002 0.000 1.119 271 L CA 0.459 55.296 54.840 -0.005 0.000 0.790 271 L CB -0.378 41.678 42.059 -0.005 0.000 0.919 271 L HN 0.336 nan 8.230 nan 0.000 0.443 272 L N -0.317 120.903 121.223 -0.004 0.000 2.599 272 L HA 0.090 4.430 4.340 -0.000 0.000 0.230 272 L C 1.465 178.336 176.870 0.001 0.000 1.141 272 L CA 0.650 55.489 54.840 -0.002 0.000 0.877 272 L CB -0.246 41.808 42.059 -0.008 0.000 1.009 272 L HN 0.506 nan 8.230 nan 0.000 0.447 273 G N 0.261 109.062 108.800 0.001 0.000 2.159 273 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.227 273 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.227 273 G C 0.174 175.076 174.900 0.004 0.000 0.986 273 G CA -0.401 44.702 45.100 0.004 0.000 0.651 273 G HN 0.302 nan 8.290 nan 0.000 0.523 274 R N -0.152 120.350 120.500 0.003 0.000 2.410 274 R HA 0.657 4.997 4.340 -0.000 0.000 0.288 274 R C 0.858 177.163 176.300 0.008 0.000 1.051 274 R CA -0.598 55.506 56.100 0.006 0.000 1.021 274 R CB 1.008 31.311 30.300 0.007 0.000 1.032 274 R HN 0.297 nan 8.270 nan 0.000 0.481 275 I N 5.057 125.633 120.570 0.011 0.000 2.588 275 I HA 0.085 4.255 4.170 -0.000 0.000 0.283 275 I C -1.548 174.581 176.117 0.019 0.000 1.119 275 I CA -1.613 59.694 61.300 0.013 0.000 1.419 275 I CB 0.653 38.662 38.000 0.014 0.000 1.394 275 I HN 0.374 nan 8.210 nan 0.000 0.562 276 P HA 0.045 nan 4.420 nan 0.000 0.269 276 P C -0.523 176.802 177.300 0.040 0.000 1.215 276 P CA -0.211 62.905 63.100 0.027 0.000 0.780 276 P CB 1.000 32.710 31.700 0.016 0.000 0.898 277 S N 0.611 116.349 115.700 0.064 0.000 2.748 277 S HA 0.662 5.132 4.470 -0.000 0.000 0.299 277 S C -0.191 174.464 174.600 0.092 0.000 1.119 277 S CA -0.464 57.783 58.200 0.078 0.000 0.997 277 S CB 0.414 63.671 63.200 0.096 0.000 1.223 277 S HN 0.595 nan 8.310 nan 0.000 0.541 278 A N 0.495 123.377 122.820 0.104 0.000 2.561 278 A HA 0.365 4.684 4.320 -0.000 0.000 0.234 278 A C 1.119 178.797 177.584 0.156 0.000 1.055 278 A CA 0.514 52.618 52.037 0.111 0.000 0.756 278 A CB -0.965 18.101 19.000 0.109 0.000 0.986 278 A HN 1.737 nan 8.150 nan 0.000 0.505 279 V N 1.068 121.042 119.914 0.100 0.000 2.956 279 V HA -0.322 3.798 4.120 -0.000 0.000 0.165 279 V C 1.844 177.891 176.094 -0.078 0.000 0.450 279 V CA 1.817 64.152 62.300 0.058 0.000 1.165 279 V CB -2.463 29.461 31.823 0.168 0.000 1.346 279 V HN 2.954 nan 8.190 nan 0.000 1.106 280 G N -2.895 105.876 108.800 -0.049 0.000 2.176 280 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.253 280 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.253 280 G C -0.160 174.659 174.900 -0.135 0.000 0.979 280 G CA 0.280 45.311 45.100 -0.116 0.000 0.641 280 G HN 0.834 nan 8.290 nan 0.000 0.530 281 Y N 2.103 122.428 120.300 0.042 0.000 2.314 281 Y HA 0.456 5.006 4.550 -0.000 0.000 0.334 281 Y C 1.356 177.266 175.900 0.015 0.000 1.266 281 Y CA -0.229 57.891 58.100 0.034 0.000 1.391 281 Y CB 0.527 39.019 38.460 0.054 0.000 1.306 281 Y HN 0.403 nan 8.280 nan 0.000 0.558 282 Q N 2.788 122.707 119.800 0.198 0.000 2.421 282 Q HA 0.084 4.424 4.340 -0.000 0.000 0.255 282 Q C -2.360 173.694 176.000 0.091 0.000 1.013 282 Q CA -1.571 54.288 55.803 0.094 0.000 0.895 282 Q CB 0.533 29.299 28.738 0.047 0.000 1.271 282 Q HN 0.375 nan 8.270 nan 0.000 0.460 283 P HA -0.030 nan 4.420 nan 0.000 0.229 283 P C 0.779 178.100 177.300 0.036 0.000 1.160 283 P CA 1.221 64.349 63.100 0.047 0.000 0.777 283 P CB 0.017 31.738 31.700 0.034 0.000 0.814 284 T N -3.758 110.812 114.554 0.026 0.000 3.206 284 T HA 0.171 4.521 4.350 -0.000 0.000 0.253 284 T C 1.426 176.139 174.700 0.023 0.000 1.042 284 T CA -0.320 61.792 62.100 0.020 0.000 0.931 284 T CB -0.984 67.888 68.868 0.006 0.000 1.029 284 T HN -0.031 nan 8.240 nan 0.000 0.564 285 L N 1.333 122.570 121.223 0.022 0.000 1.963 285 L HA -0.131 4.209 4.340 -0.000 0.000 0.220 285 L C 2.860 179.751 176.870 0.035 0.000 1.076 285 L CA 2.166 57.010 54.840 0.005 0.000 0.772 285 L CB -0.870 41.161 42.059 -0.045 0.000 0.892 285 L HN 0.385 nan 8.230 nan 0.000 0.435 286 A N -0.748 122.097 122.820 0.041 0.000 1.940 286 A HA -0.245 4.075 4.320 -0.000 0.000 0.219 286 A C 2.288 179.925 177.584 0.088 0.000 1.176 286 A CA 2.491 54.574 52.037 0.075 0.000 0.631 286 A CB -1.218 17.824 19.000 0.070 0.000 0.814 286 A HN 0.715 nan 8.150 nan 0.000 0.446 287 T N -2.371 112.223 114.554 0.067 0.000 2.812 287 T HA -0.108 4.242 4.350 -0.000 0.000 0.264 287 T C 1.429 176.179 174.700 0.083 0.000 1.042 287 T CA 1.296 63.436 62.100 0.066 0.000 1.140 287 T CB -0.501 68.394 68.868 0.045 0.000 0.870 287 T HN 0.318 nan 8.240 nan 0.000 0.445 288 D N 1.093 121.548 120.400 0.091 0.000 2.116 288 D HA -0.100 4.540 4.640 -0.000 0.000 0.193 288 D C 1.975 178.434 176.300 0.265 0.000 0.998 288 D CA 1.256 55.351 54.000 0.157 0.000 0.836 288 D CB -0.436 40.411 40.800 0.079 0.000 0.951 288 D HN 0.392 nan 8.370 nan 0.000 0.449 289 M N 0.071 119.791 119.600 0.200 0.000 2.132 289 M HA -0.072 4.408 4.480 -0.000 0.000 0.263 289 M C 2.031 178.258 176.300 -0.120 0.000 1.065 289 M CA 1.988 57.328 55.300 0.067 0.000 1.122 289 M CB -0.182 32.436 32.600 0.031 0.000 1.365 289 M HN 0.043 nan 8.290 nan 0.000 0.411 290 G N -0.572 108.231 108.800 0.005 0.000 2.418 290 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.217 290 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.217 290 G C 1.447 176.357 174.900 0.016 0.000 1.158 290 G CA 1.497 46.634 45.100 0.061 0.000 0.771 290 G HN 0.594 nan 8.290 nan 0.000 0.545 291 T N -1.773 112.800 114.554 0.031 0.000 2.915 291 T HA -0.002 4.348 4.350 -0.000 0.000 0.269 291 T C 2.205 176.893 174.700 -0.022 0.000 1.071 291 T CA 1.509 63.626 62.100 0.028 0.000 1.132 291 T CB -0.114 68.789 68.868 0.058 0.000 0.878 291 T HN 0.218 nan 8.240 nan 0.000 0.479 292 M N 0.077 119.620 119.600 -0.095 0.000 2.171 292 M HA -0.002 4.478 4.480 -0.000 0.000 0.260 292 M C 2.496 178.649 176.300 -0.245 0.000 1.087 292 M CA 1.260 56.422 55.300 -0.231 0.000 1.154 292 M CB -0.253 32.015 32.600 -0.553 0.000 1.331 292 M HN 0.159 nan 8.290 nan 0.000 0.431 293 Q N 0.528 120.141 119.800 -0.313 0.000 2.181 293 Q HA -0.176 4.164 4.340 -0.000 0.000 0.205 293 Q C 1.614 177.545 176.000 -0.115 0.000 0.980 293 Q CA 1.254 56.881 55.803 -0.292 0.000 0.862 293 Q CB -0.464 27.922 28.738 -0.587 0.000 0.905 293 Q HN 0.571 nan 8.270 nan 0.000 0.429 294 E N 0.300 120.470 120.200 -0.050 0.000 2.478 294 E HA -0.086 4.264 4.350 -0.000 0.000 0.198 294 E C 1.703 178.298 176.600 -0.009 0.000 1.046 294 E CA 0.364 56.776 56.400 0.019 0.000 0.870 294 E CB 0.068 29.800 29.700 0.054 0.000 0.818 294 E HN 0.333 nan 8.360 nan 0.000 0.527 295 R N 0.020 120.492 120.500 -0.046 0.000 2.140 295 R HA 0.190 4.530 4.340 -0.000 0.000 0.213 295 R C 1.101 177.367 176.300 -0.057 0.000 1.059 295 R CA 0.170 56.244 56.100 -0.045 0.000 1.000 295 R CB 0.205 30.473 30.300 -0.053 0.000 0.910 295 R HN 0.058 nan 8.270 nan 0.000 0.455 296 I N 2.191 122.710 120.570 -0.085 0.000 2.455 296 I HA 0.000 4.170 4.170 -0.000 0.000 0.303 296 I C -0.052 176.028 176.117 -0.062 0.000 1.180 296 I CA 0.575 61.820 61.300 -0.092 0.000 1.469 296 I CB -0.230 37.689 38.000 -0.134 0.000 1.480 296 I HN -0.000 nan 8.210 nan 0.000 0.669 297 T N 3.015 117.542 114.554 -0.045 0.000 2.957 297 T HA 0.218 4.568 4.350 -0.000 0.000 0.336 297 T C -0.193 174.490 174.700 -0.028 0.000 1.462 297 T CA -0.355 61.727 62.100 -0.031 0.000 1.073 297 T CB 1.607 70.469 68.868 -0.011 0.000 1.319 297 T HN 0.359 nan 8.240 nan 0.000 0.485 298 T N 3.325 117.863 114.554 -0.028 0.000 2.856 298 T HA 0.583 4.932 4.350 -0.000 0.000 0.306 298 T C 0.538 175.223 174.700 -0.026 0.000 1.062 298 T CA 0.013 62.098 62.100 -0.025 0.000 1.083 298 T CB 0.679 69.533 68.868 -0.024 0.000 0.984 298 T HN 0.925 nan 8.240 nan 0.000 0.542 299 T N -1.065 113.473 114.554 -0.027 0.000 2.696 299 T HA 0.461 4.811 4.350 -0.000 0.000 0.291 299 T C 0.859 175.536 174.700 -0.037 0.000 1.095 299 T CA -1.043 61.037 62.100 -0.034 0.000 1.026 299 T CB 1.382 70.233 68.868 -0.029 0.000 1.390 299 T HN 0.371 nan 8.240 nan 0.000 0.513 300 K N 0.198 120.572 120.400 -0.044 0.000 2.148 300 K HA 0.022 4.342 4.320 -0.000 0.000 0.204 300 K C 2.124 178.705 176.600 -0.033 0.000 1.050 300 K CA 0.993 57.255 56.287 -0.042 0.000 0.942 300 K CB -0.084 32.387 32.500 -0.049 0.000 0.724 300 K HN 0.469 nan 8.250 nan 0.000 0.446 301 K N 0.055 120.437 120.400 -0.031 0.000 2.103 301 K HA -0.011 4.309 4.320 -0.000 0.000 0.204 301 K C 1.095 177.681 176.600 -0.023 0.000 1.052 301 K CA 0.919 57.189 56.287 -0.028 0.000 0.945 301 K CB 0.232 32.713 32.500 -0.031 0.000 0.722 301 K HN 0.152 nan 8.250 nan 0.000 0.443 302 G N 0.122 108.911 108.800 -0.018 0.000 2.660 302 G HA2 0.330 4.290 3.960 -0.000 0.000 0.290 302 G HA3 0.330 4.290 3.960 -0.000 0.000 0.290 302 G C -1.641 173.256 174.900 -0.005 0.000 1.432 302 G CA -0.577 44.518 45.100 -0.008 0.000 0.807 302 G HN 0.017 nan 8.290 nan 0.000 0.485 303 S N -0.541 115.160 115.700 0.002 0.000 2.500 303 S HA 0.781 5.251 4.470 -0.000 0.000 0.301 303 S C -0.725 173.874 174.600 -0.001 0.000 1.092 303 S CA -0.703 57.495 58.200 -0.003 0.000 1.030 303 S CB 1.280 64.478 63.200 -0.003 0.000 1.031 303 S HN 0.566 nan 8.310 nan 0.000 0.483 304 I N 3.030 123.587 120.570 -0.022 0.000 2.406 304 I HA 0.300 4.469 4.170 -0.000 0.000 0.290 304 I C -0.240 175.826 176.117 -0.085 0.000 0.999 304 I CA -0.492 60.780 61.300 -0.046 0.000 1.124 304 I CB 2.296 40.268 38.000 -0.047 0.000 1.289 304 I HN 0.617 nan 8.210 nan 0.000 0.441 305 T N 4.725 119.201 114.554 -0.130 0.000 2.832 305 T HA 0.254 4.604 4.350 -0.000 0.000 0.313 305 T C 0.083 174.618 174.700 -0.274 0.000 1.035 305 T CA -0.581 61.421 62.100 -0.164 0.000 0.950 305 T CB 0.287 69.071 68.868 -0.140 0.000 0.984 305 T HN 0.639 nan 8.240 nan 0.000 0.486 306 S N 2.258 117.812 115.700 -0.243 0.000 2.554 306 S HA 0.690 5.160 4.470 -0.000 0.000 0.278 306 S C -0.220 174.193 174.600 -0.312 0.000 1.242 306 S CA -0.847 57.175 58.200 -0.297 0.000 1.051 306 S CB 1.537 64.607 63.200 -0.218 0.000 0.986 306 S HN 0.368 nan 8.310 nan 0.000 0.502 307 V N 3.026 122.728 119.914 -0.352 0.000 2.419 307 V HA 0.346 4.466 4.120 -0.000 0.000 0.287 307 V C -0.793 175.201 176.094 -0.166 0.000 1.017 307 V CA -0.486 61.671 62.300 -0.238 0.000 0.844 307 V CB 1.299 33.044 31.823 -0.130 0.000 1.011 307 V HN 0.950 nan 8.190 nan 0.000 0.429 308 Q N 3.584 123.281 119.800 -0.173 0.000 2.348 308 Q HA 0.702 5.042 4.340 -0.000 0.000 0.265 308 Q C -0.019 175.890 176.000 -0.152 0.000 0.998 308 Q CA -0.537 55.161 55.803 -0.175 0.000 0.831 308 Q CB 2.462 31.069 28.738 -0.217 0.000 1.251 308 Q HN 0.819 nan 8.270 nan 0.000 0.456 309 A N 4.015 126.781 122.820 -0.090 0.000 2.454 309 A HA 0.382 4.702 4.320 -0.000 0.000 0.260 309 A C -0.284 177.241 177.584 -0.098 0.000 1.106 309 A CA -0.007 52.001 52.037 -0.048 0.000 0.780 309 A CB -0.103 18.916 19.000 0.031 0.000 1.044 309 A HN 0.752 nan 8.150 nan 0.000 0.498 310 I N 3.152 123.617 120.570 -0.175 0.000 2.439 310 I HA 0.188 4.358 4.170 -0.000 0.000 0.283 310 I C -0.536 175.518 176.117 -0.105 0.000 1.023 310 I CA -0.506 60.648 61.300 -0.243 0.000 1.100 310 I CB 1.212 38.756 38.000 -0.761 0.000 1.238 310 I HN 0.737 nan 8.210 nan 0.000 0.445 311 Y N 7.188 127.416 120.300 -0.120 0.000 2.397 311 Y HA 0.452 5.002 4.550 -0.000 0.000 0.335 311 Y C -0.433 175.262 175.900 -0.342 0.000 1.213 311 Y CA -0.223 57.755 58.100 -0.203 0.000 1.391 311 Y CB 0.995 39.316 38.460 -0.232 0.000 1.293 311 Y HN 0.255 nan 8.280 nan 0.000 0.557 312 V N 8.209 127.529 119.914 -0.990 0.000 2.357 312 V HA 0.300 4.420 4.120 -0.000 0.000 0.281 312 V C -2.371 173.092 176.094 -1.052 0.000 1.015 312 V CA -2.072 59.794 62.300 -0.723 0.000 0.827 312 V CB 1.199 32.849 31.823 -0.289 0.000 1.018 312 V HN 0.719 nan 8.190 nan 0.000 0.432 313 P HA 0.142 nan 4.420 nan 0.000 0.265 313 P C 0.624 177.794 177.300 -0.217 0.000 1.193 313 P CA 0.559 63.392 63.100 -0.446 0.000 0.765 313 P CB 0.697 32.334 31.700 -0.105 0.000 0.823 314 A N 3.617 126.374 122.820 -0.104 0.000 2.744 314 A HA -0.279 4.041 4.320 -0.000 0.000 0.300 314 A C 1.054 178.598 177.584 -0.067 0.000 1.512 314 A CA 1.421 53.434 52.037 -0.040 0.000 0.851 314 A CB -2.482 16.517 19.000 -0.001 0.000 0.987 314 A HN 0.653 nan 8.150 nan 0.000 0.507 315 D N -2.183 118.139 120.400 -0.130 0.000 2.978 315 D HA -0.186 4.453 4.640 -0.000 0.000 0.205 315 D C -0.093 176.170 176.300 -0.061 0.000 1.093 315 D CA 2.193 56.139 54.000 -0.090 0.000 1.006 315 D CB -1.129 39.649 40.800 -0.037 0.000 1.116 315 D HN 0.950 nan 8.370 nan 0.000 0.419 316 D N 0.313 120.679 120.400 -0.056 0.000 2.374 316 D HA 0.170 4.810 4.640 -0.000 0.000 0.240 316 D C 1.555 177.858 176.300 0.006 0.000 1.229 316 D CA -0.151 53.839 54.000 -0.017 0.000 0.895 316 D CB 0.188 40.988 40.800 -0.001 0.000 1.046 316 D HN 0.163 nan 8.370 nan 0.000 0.498 317 L N 2.635 123.876 121.223 0.031 0.000 2.349 317 L HA -0.150 4.190 4.340 -0.000 0.000 0.220 317 L C 2.201 179.149 176.870 0.130 0.000 1.130 317 L CA 1.391 56.293 54.840 0.103 0.000 0.791 317 L CB -0.466 41.651 42.059 0.096 0.000 0.918 317 L HN 0.511 nan 8.230 nan 0.000 0.444 318 T N -4.616 109.980 114.554 0.070 0.000 3.113 318 T HA -0.085 4.265 4.350 -0.000 0.000 0.256 318 T C 0.827 175.585 174.700 0.097 0.000 1.131 318 T CA -0.333 61.811 62.100 0.073 0.000 1.074 318 T CB -0.345 68.544 68.868 0.036 0.000 0.944 318 T HN 0.234 nan 8.240 nan 0.000 0.516 319 D N 3.104 123.564 120.400 0.100 0.000 2.583 319 D HA -0.016 4.624 4.640 -0.000 0.000 0.232 319 D C -1.297 175.082 176.300 0.132 0.000 1.128 319 D CA -1.204 52.880 54.000 0.140 0.000 0.859 319 D CB 1.274 42.150 40.800 0.126 0.000 1.169 319 D HN 0.014 nan 8.370 nan 0.000 0.481 320 P HA -0.281 nan 4.420 nan 0.000 0.222 320 P C 0.906 178.143 177.300 -0.104 0.000 1.157 320 P CA 2.542 65.630 63.100 -0.020 0.000 0.905 320 P CB 0.026 31.670 31.700 -0.094 0.000 0.792 321 A N -0.345 122.369 122.820 -0.178 0.000 1.825 321 A HA -0.108 4.212 4.320 -0.000 0.000 0.214 321 A C 0.016 177.649 177.584 0.081 0.000 1.206 321 A CA 2.512 54.516 52.037 -0.055 0.000 0.609 321 A CB -2.201 16.907 19.000 0.180 0.000 0.851 321 A HN 0.214 nan 8.150 nan 0.000 0.445 322 P HA -0.179 nan 4.420 nan 0.000 0.215 322 P C 1.664 179.130 177.300 0.277 0.000 1.157 322 P CA 2.238 65.431 63.100 0.154 0.000 0.868 322 P CB -0.293 31.522 31.700 0.192 0.000 0.788 323 A N -0.039 122.960 122.820 0.298 0.000 1.892 323 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 323 A C 2.244 180.030 177.584 0.336 0.000 1.188 323 A CA 2.782 55.047 52.037 0.380 0.000 0.631 323 A CB -2.062 17.058 19.000 0.200 0.000 0.822 323 A HN 0.264 nan 8.150 nan 0.000 0.447 324 T N -0.446 114.229 114.554 0.202 0.000 3.113 324 T HA -0.016 4.334 4.350 -0.000 0.000 0.263 324 T C 1.563 176.414 174.700 0.250 0.000 1.143 324 T CA 1.520 63.729 62.100 0.181 0.000 1.090 324 T CB -0.255 68.678 68.868 0.108 0.000 0.922 324 T HN 0.571 nan 8.240 nan 0.000 0.521 325 T N 1.222 115.912 114.554 0.227 0.000 3.035 325 T HA 0.167 4.517 4.350 -0.000 0.000 0.259 325 T C 1.437 176.295 174.700 0.263 0.000 1.078 325 T CA 0.117 62.330 62.100 0.187 0.000 1.132 325 T CB -0.313 68.519 68.868 -0.060 0.000 0.900 325 T HN 0.271 nan 8.240 nan 0.000 0.480 326 F N 2.504 122.656 119.950 0.337 0.000 2.063 326 F HA -0.161 4.366 4.527 -0.000 0.000 0.298 326 F C 2.679 178.557 175.800 0.128 0.000 1.109 326 F CA 1.320 59.478 58.000 0.264 0.000 1.212 326 F CB -0.784 38.265 39.000 0.081 0.000 0.973 326 F HN 0.159 nan 8.300 nan 0.000 0.480 327 A N -1.615 121.331 122.820 0.210 0.000 2.172 327 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 327 A C 1.650 179.180 177.584 -0.090 0.000 1.154 327 A CA 1.065 53.113 52.037 0.018 0.000 0.701 327 A CB -1.010 17.936 19.000 -0.090 0.000 0.789 327 A HN 0.505 nan 8.150 nan 0.000 0.465 328 H N -0.921 118.198 119.070 0.081 0.000 2.547 328 H HA 0.249 4.805 4.556 -0.000 0.000 0.266 328 H C 0.172 175.512 175.328 0.019 0.000 0.988 328 H CA 0.367 56.432 56.048 0.029 0.000 1.147 328 H CB 0.027 29.784 29.762 -0.009 0.000 1.365 328 H HN 0.376 nan 8.280 nan 0.000 0.589 329 L N -0.128 121.174 121.223 0.132 0.000 2.335 329 L HA 0.203 4.543 4.340 -0.000 0.000 0.268 329 L C 0.955 177.865 176.870 0.067 0.000 1.016 329 L CA -0.514 54.379 54.840 0.088 0.000 0.805 329 L CB 1.222 43.357 42.059 0.127 0.000 1.311 329 L HN -0.112 nan 8.230 nan 0.000 0.456 330 D N -0.182 120.240 120.400 0.037 0.000 2.479 330 D HA 0.308 4.948 4.640 -0.000 0.000 0.221 330 D C -0.117 176.213 176.300 0.049 0.000 1.104 330 D CA 0.413 54.433 54.000 0.035 0.000 0.849 330 D CB 1.508 42.317 40.800 0.015 0.000 1.072 330 D HN 0.471 nan 8.370 nan 0.000 0.502 331 A N 0.742 123.586 122.820 0.039 0.000 2.517 331 A HA 0.568 4.888 4.320 -0.000 0.000 0.297 331 A C -0.661 176.980 177.584 0.096 0.000 1.050 331 A CA -0.608 51.477 52.037 0.080 0.000 0.694 331 A CB 1.523 20.590 19.000 0.112 0.000 1.277 331 A HN -0.050 nan 8.150 nan 0.000 0.400 332 T N -0.739 113.921 114.554 0.177 0.000 2.841 332 T HA 0.704 5.054 4.350 -0.000 0.000 0.285 332 T C -0.521 174.332 174.700 0.254 0.000 0.991 332 T CA -0.488 61.768 62.100 0.261 0.000 0.966 332 T CB 1.428 70.487 68.868 0.318 0.000 0.962 332 T HN 0.509 nan 8.240 nan 0.000 0.438 333 T N 3.374 118.106 114.554 0.297 0.000 2.788 333 T HA 0.493 4.843 4.350 -0.000 0.000 0.296 333 T C -0.042 174.820 174.700 0.270 0.000 1.009 333 T CA -0.490 61.778 62.100 0.280 0.000 0.949 333 T CB 0.719 69.789 68.868 0.336 0.000 0.946 333 T HN 0.644 nan 8.240 nan 0.000 0.453 334 V N 5.317 125.343 119.914 0.187 0.000 2.439 334 V HA 0.414 4.534 4.120 -0.000 0.000 0.282 334 V C -0.268 175.909 176.094 0.137 0.000 1.039 334 V CA -0.878 61.516 62.300 0.157 0.000 0.913 334 V CB 1.218 33.079 31.823 0.064 0.000 0.983 334 V HN 0.577 nan 8.190 nan 0.000 0.460 335 L N 3.765 125.077 121.223 0.147 0.000 2.334 335 L HA 0.628 4.967 4.340 -0.000 0.000 0.275 335 L C 0.227 177.141 176.870 0.074 0.000 1.036 335 L CA 0.395 55.303 54.840 0.114 0.000 0.807 335 L CB 1.753 43.895 42.059 0.139 0.000 1.231 335 L HN 0.708 nan 8.230 nan 0.000 0.438 336 S N 1.577 117.303 115.700 0.043 0.000 2.532 336 S HA 0.427 4.897 4.470 -0.000 0.000 0.299 336 S C 0.904 175.505 174.600 0.002 0.000 1.105 336 S CA -0.658 57.553 58.200 0.019 0.000 1.018 336 S CB 1.149 64.351 63.200 0.003 0.000 1.021 336 S HN 0.700 nan 8.310 nan 0.000 0.483 337 R N 3.566 124.070 120.500 0.006 0.000 2.096 337 R HA -0.038 4.302 4.340 -0.000 0.000 0.235 337 R C 2.052 178.338 176.300 -0.023 0.000 1.127 337 R CA 1.897 57.998 56.100 0.001 0.000 0.968 337 R CB -0.647 29.659 30.300 0.011 0.000 0.861 337 R HN 0.736 nan 8.270 nan 0.000 0.440 338 A N 1.162 123.969 122.820 -0.021 0.000 1.892 338 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 338 A C 2.139 179.695 177.584 -0.046 0.000 1.188 338 A CA 1.711 53.732 52.037 -0.028 0.000 0.631 338 A CB -0.539 18.447 19.000 -0.022 0.000 0.822 338 A HN 0.387 nan 8.150 nan 0.000 0.447 339 I N -0.563 119.976 120.570 -0.053 0.000 2.133 339 I HA -0.226 3.944 4.170 -0.000 0.000 0.238 339 I C 3.011 179.031 176.117 -0.162 0.000 1.074 339 I CA 0.945 62.199 61.300 -0.078 0.000 1.342 339 I CB -0.525 37.441 38.000 -0.057 0.000 1.053 339 I HN 0.346 nan 8.210 nan 0.000 0.404 340 A N 0.358 123.048 122.820 -0.217 0.000 1.985 340 A HA -0.352 3.968 4.320 -0.000 0.000 0.223 340 A C 2.269 179.675 177.584 -0.296 0.000 1.189 340 A CA 2.440 54.222 52.037 -0.425 0.000 0.658 340 A CB -0.925 17.955 19.000 -0.200 0.000 0.820 340 A HN 0.576 nan 8.150 nan 0.000 0.464 341 E N -0.497 119.624 120.200 -0.132 0.000 2.265 341 E HA -0.114 4.236 4.350 -0.000 0.000 0.196 341 E C 1.558 178.119 176.600 -0.065 0.000 0.996 341 E CA 0.847 57.208 56.400 -0.065 0.000 0.832 341 E CB -0.154 29.526 29.700 -0.034 0.000 0.756 341 E HN 0.716 nan 8.360 nan 0.000 0.491 342 L N -1.314 119.852 121.223 -0.095 0.000 2.509 342 L HA 0.215 4.555 4.340 -0.000 0.000 0.222 342 L C 1.567 178.378 176.870 -0.098 0.000 1.123 342 L CA 0.518 55.307 54.840 -0.085 0.000 0.856 342 L CB 0.353 42.368 42.059 -0.072 0.000 0.985 342 L HN 0.369 nan 8.230 nan 0.000 0.456 343 G N 0.128 108.856 108.800 -0.120 0.000 2.179 343 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.220 343 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.220 343 G C 0.220 175.163 174.900 0.071 0.000 0.990 343 G CA -0.620 44.483 45.100 0.004 0.000 0.646 343 G HN 0.084 nan 8.290 nan 0.000 0.517 344 I N 1.300 121.816 120.570 -0.089 0.000 2.452 344 I HA 0.449 4.619 4.170 -0.000 0.000 0.287 344 I C 0.014 175.970 176.117 -0.268 0.000 1.079 344 I CA -0.189 61.106 61.300 -0.009 0.000 1.387 344 I CB -0.244 37.740 38.000 -0.027 0.000 1.404 344 I HN 0.095 nan 8.210 nan 0.000 0.522 345 Y N 6.807 127.094 120.300 -0.022 0.000 2.524 345 Y HA 0.407 4.957 4.550 -0.000 0.000 0.347 345 Y C -2.143 173.579 175.900 -0.297 0.000 1.005 345 Y CA -2.599 55.414 58.100 -0.145 0.000 1.025 345 Y CB 1.877 40.233 38.460 -0.173 0.000 1.275 345 Y HN 0.410 nan 8.280 nan 0.000 0.460 346 P HA 0.074 nan 4.420 nan 0.000 0.268 346 P C -0.333 176.999 177.300 0.053 0.000 1.205 346 P CA -0.055 63.036 63.100 -0.014 0.000 0.771 346 P CB 0.709 32.446 31.700 0.061 0.000 0.858 347 A N 3.714 126.587 122.820 0.088 0.000 2.626 347 A HA 0.144 4.464 4.320 -0.000 0.000 0.238 347 A C 0.583 178.192 177.584 0.041 0.000 1.641 347 A CA -0.088 51.939 52.037 -0.017 0.000 1.449 347 A CB -1.350 17.617 19.000 -0.055 0.000 0.888 347 A HN 0.388 nan 8.150 nan 0.000 0.628 348 V N 0.707 120.657 119.914 0.060 0.000 2.775 348 V HA 0.085 4.205 4.120 -0.000 0.000 0.299 348 V C 0.330 176.451 176.094 0.045 0.000 1.062 348 V CA -0.300 62.045 62.300 0.075 0.000 1.063 348 V CB 1.428 33.308 31.823 0.094 0.000 0.994 348 V HN 0.605 nan 8.190 nan 0.000 0.483 349 D N 5.563 125.991 120.400 0.046 0.000 2.412 349 D HA 0.320 4.960 4.640 -0.000 0.000 0.224 349 D C -1.704 174.606 176.300 0.017 0.000 1.093 349 D CA -2.175 51.839 54.000 0.024 0.000 0.850 349 D CB 1.994 42.804 40.800 0.017 0.000 1.046 349 D HN 0.213 nan 8.370 nan 0.000 0.507 350 P HA 0.009 nan 4.420 nan 0.000 0.233 350 P C 1.020 178.309 177.300 -0.019 0.000 1.167 350 P CA 0.502 63.595 63.100 -0.011 0.000 0.770 350 P CB 0.395 32.080 31.700 -0.025 0.000 0.837 351 L N -1.062 120.153 121.223 -0.014 0.000 2.769 351 L HA 0.285 4.625 4.340 -0.000 0.000 0.240 351 L C 0.825 177.674 176.870 -0.034 0.000 1.163 351 L CA 0.356 55.181 54.840 -0.025 0.000 0.962 351 L CB 0.033 42.078 42.059 -0.023 0.000 1.258 351 L HN -0.162 nan 8.230 nan 0.000 0.513 352 D N -1.085 119.300 120.400 -0.026 0.000 2.615 352 D HA 0.104 4.744 4.640 -0.000 0.000 0.274 352 D C -0.209 176.083 176.300 -0.015 0.000 1.512 352 D CA 0.194 54.169 54.000 -0.042 0.000 0.803 352 D CB 0.830 41.601 40.800 -0.048 0.000 1.182 352 D HN -0.121 nan 8.370 nan 0.000 0.473 353 S N -0.083 115.626 115.700 0.014 0.000 2.454 353 S HA 0.728 5.198 4.470 -0.000 0.000 0.306 353 S C -0.040 174.594 174.600 0.057 0.000 1.100 353 S CA -0.571 57.666 58.200 0.062 0.000 1.087 353 S CB 1.812 65.063 63.200 0.086 0.000 1.019 353 S HN 0.277 nan 8.310 nan 0.000 0.480 354 T N -1.040 113.564 114.554 0.082 0.000 2.865 354 T HA 0.836 5.186 4.350 -0.000 0.000 0.294 354 T C -0.753 174.007 174.700 0.100 0.000 1.119 354 T CA -0.939 61.201 62.100 0.067 0.000 1.007 354 T CB 1.822 70.711 68.868 0.034 0.000 1.225 354 T HN 0.493 nan 8.240 nan 0.000 0.515 355 S N -0.848 114.902 115.700 0.084 0.000 2.626 355 S HA 0.342 4.812 4.470 -0.000 0.000 0.275 355 S C 0.667 175.306 174.600 0.065 0.000 1.175 355 S CA -0.684 57.573 58.200 0.095 0.000 0.982 355 S CB 1.718 64.991 63.200 0.121 0.000 1.093 355 S HN 0.984 nan 8.310 nan 0.000 0.472 356 R N 3.116 123.650 120.500 0.057 0.000 2.154 356 R HA -0.104 4.236 4.340 -0.000 0.000 0.248 356 R C 1.715 178.032 176.300 0.027 0.000 1.155 356 R CA 2.612 58.735 56.100 0.037 0.000 0.979 356 R CB -0.544 29.776 30.300 0.034 0.000 0.869 356 R HN 0.863 nan 8.270 nan 0.000 0.452 357 I N -2.564 118.027 120.570 0.034 0.000 3.684 357 I HA 0.114 4.283 4.170 -0.000 0.000 0.304 357 I C 0.514 176.628 176.117 -0.004 0.000 1.278 357 I CA -0.073 61.237 61.300 0.016 0.000 1.272 357 I CB 0.078 38.096 38.000 0.030 0.000 1.029 357 I HN -0.004 nan 8.210 nan 0.000 0.458 358 M N 3.362 122.970 119.600 0.012 0.000 3.070 358 M HA 0.164 4.644 4.480 -0.000 0.000 0.275 358 M C -0.937 175.397 176.300 0.057 0.000 1.510 358 M CA 0.831 56.145 55.300 0.024 0.000 1.608 358 M CB -1.477 31.156 32.600 0.055 0.000 1.266 358 M HN 0.337 nan 8.290 nan 0.000 0.514 359 D N 3.799 124.166 120.400 -0.056 0.000 2.970 359 D HA 0.394 5.034 4.640 -0.000 0.000 0.230 359 D C -1.979 174.139 176.300 -0.303 0.000 1.276 359 D CA -1.289 52.562 54.000 -0.248 0.000 0.910 359 D CB 2.219 42.928 40.800 -0.153 0.000 1.590 359 D HN 0.074 nan 8.370 nan 0.000 0.551 360 P HA -0.166 nan 4.420 nan 0.000 0.217 360 P C 0.316 177.524 177.300 -0.153 0.000 1.148 360 P CA 0.966 63.865 63.100 -0.335 0.000 0.834 360 P CB 0.169 31.619 31.700 -0.416 0.000 0.783 361 N N -1.001 117.605 118.700 -0.156 0.000 2.421 361 N HA 0.110 4.850 4.740 -0.000 0.000 0.201 361 N C 1.388 176.867 175.510 -0.052 0.000 1.198 361 N CA 0.466 53.467 53.050 -0.082 0.000 0.838 361 N CB 0.306 38.747 38.487 -0.076 0.000 1.011 361 N HN 0.341 nan 8.380 nan 0.000 0.463 362 I N -1.023 119.517 120.570 -0.051 0.000 3.685 362 I HA -0.061 4.109 4.170 -0.000 0.000 0.258 362 I C 1.557 177.679 176.117 0.008 0.000 1.135 362 I CA 0.206 61.494 61.300 -0.021 0.000 1.436 362 I CB 0.139 38.123 38.000 -0.028 0.000 1.670 362 I HN -0.130 nan 8.210 nan 0.000 0.424 363 V N -0.087 119.825 119.914 -0.004 0.000 3.623 363 V HA 0.511 4.631 4.120 -0.000 0.000 0.271 363 V C 0.871 177.038 176.094 0.120 0.000 1.248 363 V CA 0.321 62.653 62.300 0.054 0.000 1.156 363 V CB -1.304 30.410 31.823 -0.183 0.000 0.870 363 V HN 0.592 nan 8.190 nan 0.000 0.453 364 G N 1.030 109.869 108.800 0.064 0.000 2.829 364 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.628 364 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.628 364 G C 0.588 175.555 174.900 0.112 0.000 1.412 364 G CA 0.497 45.643 45.100 0.077 0.000 0.864 364 G HN 1.442 nan 8.290 nan 0.000 0.544 365 S N -0.855 114.908 115.700 0.104 0.000 2.357 365 S HA -0.049 4.421 4.470 -0.000 0.000 0.221 365 S C 1.905 176.610 174.600 0.175 0.000 1.031 365 S CA 1.886 60.168 58.200 0.136 0.000 0.982 365 S CB -0.239 63.016 63.200 0.091 0.000 0.853 365 S HN 0.955 nan 8.310 nan 0.000 0.458 366 E N 0.594 120.882 120.200 0.148 0.000 2.077 366 E HA -0.258 4.092 4.350 -0.000 0.000 0.193 366 E C 2.059 178.776 176.600 0.195 0.000 0.989 366 E CA 1.203 57.687 56.400 0.140 0.000 0.800 366 E CB -0.355 29.409 29.700 0.106 0.000 0.746 366 E HN 0.866 nan 8.360 nan 0.000 0.452 367 H N -1.379 117.750 119.070 0.098 0.000 2.270 367 H HA -0.214 4.342 4.556 -0.000 0.000 0.299 367 H C 2.161 177.549 175.328 0.100 0.000 1.077 367 H CA 1.622 57.725 56.048 0.093 0.000 1.294 367 H CB -0.164 29.654 29.762 0.092 0.000 1.371 367 H HN 0.229 nan 8.280 nan 0.000 0.491 368 Y N 1.950 122.302 120.300 0.087 0.000 2.081 368 Y HA -0.302 4.248 4.550 -0.000 0.000 0.280 368 Y C 2.084 178.005 175.900 0.034 0.000 1.163 368 Y CA 2.199 60.293 58.100 -0.009 0.000 1.135 368 Y CB -0.546 37.899 38.460 -0.025 0.000 0.970 368 Y HN 0.380 nan 8.280 nan 0.000 0.498 369 D N -0.620 119.830 120.400 0.084 0.000 2.097 369 D HA -0.183 4.457 4.640 -0.000 0.000 0.195 369 D C 2.448 178.718 176.300 -0.050 0.000 0.989 369 D CA 1.808 55.798 54.000 -0.016 0.000 0.827 369 D CB -0.694 40.151 40.800 0.074 0.000 0.966 369 D HN 0.321 nan 8.370 nan 0.000 0.456 370 V N 1.719 121.651 119.914 0.029 0.000 2.233 370 V HA -0.286 3.833 4.120 -0.000 0.000 0.247 370 V C 2.591 178.664 176.094 -0.034 0.000 1.050 370 V CA 2.020 64.342 62.300 0.037 0.000 1.010 370 V CB -1.127 30.756 31.823 0.100 0.000 0.637 370 V HN 0.206 nan 8.190 nan 0.000 0.444 371 A N 0.344 123.135 122.820 -0.049 0.000 1.869 371 A HA -0.288 4.032 4.320 -0.000 0.000 0.218 371 A C 2.321 179.793 177.584 -0.187 0.000 1.203 371 A CA 2.321 54.285 52.037 -0.123 0.000 0.638 371 A CB -0.648 18.288 19.000 -0.107 0.000 0.831 371 A HN 0.426 nan 8.150 nan 0.000 0.450 372 R N -0.654 119.661 120.500 -0.309 0.000 2.117 372 R HA -0.147 4.193 4.340 -0.000 0.000 0.243 372 R C 2.345 178.552 176.300 -0.156 0.000 1.143 372 R CA 1.420 57.345 56.100 -0.291 0.000 0.968 372 R CB -1.769 28.258 30.300 -0.455 0.000 0.863 372 R HN 0.592 nan 8.270 nan 0.000 0.444 373 G N 0.255 108.986 108.800 -0.114 0.000 2.418 373 G HA2 -0.189 3.770 3.960 -0.000 0.000 0.217 373 G HA3 -0.189 3.770 3.960 -0.000 0.000 0.217 373 G C 1.577 176.454 174.900 -0.039 0.000 1.158 373 G CA 0.861 45.929 45.100 -0.053 0.000 0.771 373 G HN 0.208 nan 8.290 nan 0.000 0.545 374 V N 0.543 120.421 119.914 -0.059 0.000 2.358 374 V HA -0.221 3.899 4.120 -0.000 0.000 0.246 374 V C 2.863 178.922 176.094 -0.058 0.000 1.047 374 V CA 2.179 64.444 62.300 -0.059 0.000 1.035 374 V CB -0.606 31.120 31.823 -0.162 0.000 0.658 374 V HN 0.433 nan 8.190 nan 0.000 0.452 375 Q N -0.014 119.739 119.800 -0.079 0.000 2.119 375 Q HA -0.205 4.135 4.340 -0.000 0.000 0.201 375 Q C 2.356 178.336 176.000 -0.034 0.000 0.972 375 Q CA 1.527 57.295 55.803 -0.058 0.000 0.847 375 Q CB -0.246 28.448 28.738 -0.072 0.000 0.903 375 Q HN 0.602 nan 8.270 nan 0.000 0.433 376 K N 1.282 121.658 120.400 -0.039 0.000 2.026 376 K HA -0.159 4.161 4.320 -0.000 0.000 0.208 376 K C 2.015 178.615 176.600 0.001 0.000 1.048 376 K CA 1.104 57.379 56.287 -0.020 0.000 0.929 376 K CB -0.156 32.330 32.500 -0.025 0.000 0.713 376 K HN 0.236 nan 8.250 nan 0.000 0.439 377 I N 1.037 121.608 120.570 0.003 0.000 2.361 377 I HA -0.247 3.923 4.170 -0.000 0.000 0.251 377 I C 1.834 177.980 176.117 0.049 0.000 1.133 377 I CA 0.907 62.219 61.300 0.020 0.000 1.413 377 I CB 0.127 38.131 38.000 0.007 0.000 1.073 377 I HN 0.244 nan 8.210 nan 0.000 0.424 378 L N 0.065 121.312 121.223 0.041 0.000 2.072 378 L HA -0.187 4.153 4.340 -0.000 0.000 0.205 378 L C 2.555 179.476 176.870 0.085 0.000 1.079 378 L CA 1.037 55.925 54.840 0.078 0.000 0.752 378 L CB -0.539 41.548 42.059 0.045 0.000 0.906 378 L HN 0.278 nan 8.230 nan 0.000 0.436 379 Q N 0.230 120.051 119.800 0.036 0.000 2.167 379 Q HA -0.195 4.145 4.340 -0.000 0.000 0.202 379 Q C 1.645 177.659 176.000 0.024 0.000 0.970 379 Q CA 1.549 57.362 55.803 0.017 0.000 0.855 379 Q CB -0.036 28.699 28.738 -0.005 0.000 0.911 379 Q HN 0.384 nan 8.270 nan 0.000 0.438 380 D N -0.787 119.640 120.400 0.045 0.000 2.078 380 D HA -0.194 4.446 4.640 -0.000 0.000 0.193 380 D C 1.593 177.936 176.300 0.073 0.000 0.990 380 D CA 1.423 55.452 54.000 0.048 0.000 0.827 380 D CB -0.657 40.173 40.800 0.050 0.000 0.975 380 D HN 0.332 nan 8.370 nan 0.000 0.451 381 Y N 1.974 122.263 120.300 -0.018 0.000 2.151 381 Y HA -0.262 4.288 4.550 -0.000 0.000 0.284 381 Y C 2.305 178.194 175.900 -0.019 0.000 1.166 381 Y CA 1.818 59.907 58.100 -0.018 0.000 1.163 381 Y CB -0.222 38.227 38.460 -0.019 0.000 0.974 381 Y HN -0.146 nan 8.280 nan 0.000 0.511 382 K N -0.472 119.868 120.400 -0.100 0.000 2.044 382 K HA -0.172 4.148 4.320 -0.000 0.000 0.210 382 K C 1.992 178.475 176.600 -0.195 0.000 1.049 382 K CA 1.880 58.052 56.287 -0.192 0.000 0.927 382 K CB -0.295 32.164 32.500 -0.068 0.000 0.713 382 K HN 0.317 nan 8.250 nan 0.000 0.443 383 S N 0.569 116.200 115.700 -0.115 0.000 2.555 383 S HA 0.024 4.494 4.470 -0.000 0.000 0.230 383 S C 1.513 176.055 174.600 -0.097 0.000 0.978 383 S CA 0.481 58.628 58.200 -0.089 0.000 0.934 383 S CB 0.062 63.233 63.200 -0.049 0.000 0.766 383 S HN 0.251 nan 8.310 nan 0.000 0.533 384 L N 0.376 121.516 121.223 -0.137 0.000 2.425 384 L HA 0.089 4.429 4.340 -0.000 0.000 0.215 384 L C 2.337 179.107 176.870 -0.166 0.000 1.065 384 L CA 0.237 55.010 54.840 -0.112 0.000 0.842 384 L CB -0.349 41.679 42.059 -0.051 0.000 1.033 384 L HN 0.216 nan 8.230 nan 0.000 0.474 385 Q N 0.701 120.310 119.800 -0.319 0.000 1.991 385 Q HA -0.301 4.039 4.340 -0.000 0.000 0.213 385 Q C 1.558 177.462 176.000 -0.159 0.000 1.022 385 Q CA 2.301 57.910 55.803 -0.324 0.000 0.877 385 Q CB -0.311 28.174 28.738 -0.421 0.000 0.970 385 Q HN 0.453 nan 8.270 nan 0.000 0.414 386 D N 0.111 120.431 120.400 -0.133 0.000 2.221 386 D HA -0.120 4.520 4.640 -0.000 0.000 0.204 386 D C 1.891 178.154 176.300 -0.062 0.000 0.982 386 D CA 0.959 54.909 54.000 -0.083 0.000 0.857 386 D CB -0.145 40.611 40.800 -0.073 0.000 0.934 386 D HN 0.312 nan 8.370 nan 0.000 0.475 387 I N 1.486 122.016 120.570 -0.066 0.000 2.130 387 I HA -0.206 3.964 4.170 -0.000 0.000 0.234 387 I C 2.615 178.712 176.117 -0.033 0.000 1.067 387 I CA 0.787 62.060 61.300 -0.044 0.000 1.339 387 I CB -0.384 37.592 38.000 -0.041 0.000 1.073 387 I HN -0.049 nan 8.210 nan 0.000 0.405 388 I N -0.073 120.478 120.570 -0.032 0.000 2.567 388 I HA -0.161 4.009 4.170 -0.000 0.000 0.257 388 I C 2.583 178.691 176.117 -0.014 0.000 1.184 388 I CA 1.269 62.561 61.300 -0.014 0.000 1.451 388 I CB -0.819 37.183 38.000 0.003 0.000 1.089 388 I HN 0.115 nan 8.210 nan 0.000 0.441 389 A N 1.662 124.466 122.820 -0.027 0.000 1.986 389 A HA -0.145 4.175 4.320 -0.000 0.000 0.220 389 A C 2.110 179.685 177.584 -0.015 0.000 1.171 389 A CA 2.119 54.143 52.037 -0.022 0.000 0.640 389 A CB -0.576 18.404 19.000 -0.034 0.000 0.811 389 A HN 0.519 nan 8.150 nan 0.000 0.451 390 I N -1.455 119.105 120.570 -0.017 0.000 2.899 390 I HA 0.051 4.221 4.170 -0.000 0.000 0.257 390 I C 2.227 178.339 176.117 -0.009 0.000 1.115 390 I CA 0.513 61.806 61.300 -0.013 0.000 1.451 390 I CB -0.249 37.742 38.000 -0.015 0.000 1.251 390 I HN 0.179 nan 8.210 nan 0.000 0.456 391 L N 0.047 121.264 121.223 -0.009 0.000 2.093 391 L HA 0.149 4.489 4.340 -0.000 0.000 0.208 391 L C 0.905 177.774 176.870 -0.002 0.000 1.085 391 L CA 0.830 55.666 54.840 -0.006 0.000 0.755 391 L CB -0.790 41.266 42.059 -0.007 0.000 0.904 391 L HN 0.498 nan 8.230 nan 0.000 0.435 392 G N -1.289 107.510 108.800 -0.001 0.000 2.515 392 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.686 392 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.686 392 G C -0.237 174.668 174.900 0.008 0.000 1.274 392 G CA -0.078 45.025 45.100 0.004 0.000 0.874 392 G HN -0.006 nan 8.290 nan 0.000 0.631 393 M N -0.101 119.507 119.600 0.013 0.000 2.476 393 M HA 0.171 4.651 4.480 -0.000 0.000 0.262 393 M C 1.840 178.148 176.300 0.014 0.000 1.111 393 M CA 1.618 56.929 55.300 0.018 0.000 1.127 393 M CB -0.030 32.585 32.600 0.024 0.000 1.376 393 M HN 0.583 nan 8.290 nan 0.000 0.465 394 D N 0.683 121.090 120.400 0.011 0.000 2.228 394 D HA -0.197 4.443 4.640 -0.000 0.000 0.203 394 D C 1.677 177.982 176.300 0.008 0.000 0.988 394 D CA 1.068 55.073 54.000 0.009 0.000 0.864 394 D CB -0.030 40.774 40.800 0.007 0.000 0.928 394 D HN 0.361 nan 8.370 nan 0.000 0.469 395 E N -0.287 119.917 120.200 0.007 0.000 2.385 395 E HA 0.077 4.427 4.350 -0.000 0.000 0.194 395 E C 0.555 177.159 176.600 0.008 0.000 1.013 395 E CA -0.068 56.336 56.400 0.006 0.000 0.866 395 E CB 0.123 29.825 29.700 0.004 0.000 0.832 395 E HN 0.359 nan 8.360 nan 0.000 0.500 396 L N 2.567 123.797 121.223 0.011 0.000 2.499 396 L HA -0.022 4.318 4.340 -0.000 0.000 0.273 396 L C 0.936 177.812 176.870 0.011 0.000 1.195 396 L CA -0.176 54.672 54.840 0.014 0.000 0.882 396 L CB 0.340 42.411 42.059 0.021 0.000 1.133 396 L HN -0.015 nan 8.230 nan 0.000 0.483 397 S N 2.011 117.717 115.700 0.010 0.000 2.584 397 S HA 0.054 4.524 4.470 -0.000 0.000 0.270 397 S C 0.997 175.601 174.600 0.008 0.000 1.346 397 S CA -0.798 57.407 58.200 0.008 0.000 1.018 397 S CB 0.956 64.160 63.200 0.007 0.000 0.899 397 S HN 0.590 nan 8.310 nan 0.000 0.542 398 E N 1.282 121.486 120.200 0.006 0.000 2.273 398 E HA -0.161 4.189 4.350 -0.000 0.000 0.198 398 E C 1.685 178.288 176.600 0.004 0.000 1.002 398 E CA 1.227 57.631 56.400 0.006 0.000 0.828 398 E CB -0.231 29.472 29.700 0.005 0.000 0.747 398 E HN 0.744 nan 8.360 nan 0.000 0.491 399 E N 0.674 120.876 120.200 0.005 0.000 2.086 399 E HA -0.087 4.263 4.350 -0.000 0.000 0.190 399 E C 1.540 178.143 176.600 0.005 0.000 0.975 399 E CA 0.600 57.002 56.400 0.004 0.000 0.813 399 E CB -0.160 29.542 29.700 0.004 0.000 0.768 399 E HN 0.266 nan 8.360 nan 0.000 0.457 400 D N 2.038 122.444 120.400 0.010 0.000 2.077 400 D HA -0.146 4.494 4.640 -0.000 0.000 0.196 400 D C 1.921 178.232 176.300 0.018 0.000 0.986 400 D CA 1.404 55.414 54.000 0.017 0.000 0.829 400 D CB -0.362 40.451 40.800 0.020 0.000 0.983 400 D HN 0.280 nan 8.370 nan 0.000 0.453 401 K N 0.735 121.145 120.400 0.017 0.000 2.281 401 K HA -0.135 4.185 4.320 -0.000 0.000 0.203 401 K C 2.069 178.668 176.600 -0.002 0.000 1.046 401 K CA 0.787 57.083 56.287 0.015 0.000 0.938 401 K CB -0.402 32.106 32.500 0.014 0.000 0.737 401 K HN 0.146 nan 8.250 nan 0.000 0.458 402 L N 2.484 123.703 121.223 -0.006 0.000 2.156 402 L HA -0.101 4.239 4.340 -0.000 0.000 0.208 402 L C 2.541 179.391 176.870 -0.033 0.000 1.095 402 L CA 2.146 56.976 54.840 -0.017 0.000 0.770 402 L CB -0.608 41.444 42.059 -0.010 0.000 0.914 402 L HN 0.445 nan 8.230 nan 0.000 0.439 403 T N -3.550 110.991 114.554 -0.022 0.000 2.851 403 T HA -0.106 4.244 4.350 -0.000 0.000 0.262 403 T C 1.843 176.500 174.700 -0.073 0.000 1.043 403 T CA 1.346 63.427 62.100 -0.033 0.000 1.140 403 T CB -0.869 67.996 68.868 -0.005 0.000 0.872 403 T HN 0.107 nan 8.240 nan 0.000 0.446 404 V N 2.203 122.085 119.914 -0.052 0.000 2.546 404 V HA -0.186 3.934 4.120 -0.000 0.000 0.254 404 V C 3.004 178.952 176.094 -0.243 0.000 1.076 404 V CA 2.102 64.320 62.300 -0.136 0.000 1.087 404 V CB -1.062 30.769 31.823 0.013 0.000 0.674 404 V HN 0.578 nan 8.190 nan 0.000 0.470 405 S N 0.199 115.809 115.700 -0.151 0.000 2.357 405 S HA -0.121 4.349 4.470 -0.000 0.000 0.221 405 S C 1.996 176.465 174.600 -0.218 0.000 1.031 405 S CA 1.245 59.349 58.200 -0.159 0.000 0.982 405 S CB -0.280 62.863 63.200 -0.095 0.000 0.853 405 S HN 0.636 nan 8.310 nan 0.000 0.458 406 R N 1.612 122.000 120.500 -0.187 0.000 2.189 406 R HA 0.169 4.509 4.340 -0.000 0.000 0.218 406 R C 2.345 178.517 176.300 -0.214 0.000 1.074 406 R CA 0.903 56.882 56.100 -0.202 0.000 0.991 406 R CB -0.421 29.807 30.300 -0.119 0.000 0.883 406 R HN 0.380 nan 8.270 nan 0.000 0.457 407 A N 1.933 124.604 122.820 -0.249 0.000 1.854 407 A HA -0.117 4.203 4.320 -0.000 0.000 0.214 407 A C 2.113 179.509 177.584 -0.313 0.000 1.192 407 A CA 0.906 52.782 52.037 -0.269 0.000 0.611 407 A CB -0.301 18.467 19.000 -0.386 0.000 0.832 407 A HN 0.176 nan 8.150 nan 0.000 0.442 408 R N -0.080 120.154 120.500 -0.444 0.000 2.127 408 R HA -0.137 4.203 4.340 -0.000 0.000 0.238 408 R C 2.159 178.316 176.300 -0.239 0.000 1.134 408 R CA 1.705 57.608 56.100 -0.327 0.000 0.975 408 R CB -0.273 29.844 30.300 -0.305 0.000 0.865 408 R HN 0.519 nan 8.270 nan 0.000 0.447 409 K N 0.395 120.577 120.400 -0.362 0.000 2.031 409 K HA -0.060 4.260 4.320 -0.000 0.000 0.205 409 K C 2.083 178.449 176.600 -0.390 0.000 1.049 409 K CA 1.130 57.024 56.287 -0.655 0.000 0.939 409 K CB -0.102 31.667 32.500 -1.217 0.000 0.717 409 K HN 0.099 nan 8.250 nan 0.000 0.438 410 I N 1.443 121.898 120.570 -0.192 0.000 2.226 410 I HA -0.318 3.852 4.170 -0.000 0.000 0.245 410 I C 2.785 179.035 176.117 0.220 0.000 1.100 410 I CA 1.233 62.621 61.300 0.146 0.000 1.374 410 I CB -0.181 37.929 38.000 0.182 0.000 1.057 410 I HN 0.276 nan 8.210 nan 0.000 0.413 411 Q N 0.839 120.681 119.800 0.069 0.000 2.014 411 Q HA -0.278 4.062 4.340 -0.000 0.000 0.207 411 Q C 2.423 178.507 176.000 0.139 0.000 0.993 411 Q CA 2.057 57.911 55.803 0.085 0.000 0.850 411 Q CB -0.013 28.742 28.738 0.028 0.000 0.916 411 Q HN 0.445 nan 8.270 nan 0.000 0.417 412 R N -0.646 119.936 120.500 0.136 0.000 2.075 412 R HA -0.122 4.218 4.340 -0.000 0.000 0.232 412 R C 2.152 178.624 176.300 0.286 0.000 1.126 412 R CA 1.216 57.459 56.100 0.239 0.000 0.963 412 R CB -0.498 29.968 30.300 0.276 0.000 0.858 412 R HN 0.241 nan 8.270 nan 0.000 0.435 413 F N 1.675 121.690 119.950 0.108 0.000 2.411 413 F HA -0.115 4.412 4.527 -0.000 0.000 0.299 413 F C 1.542 177.426 175.800 0.139 0.000 1.077 413 F CA 1.012 59.048 58.000 0.060 0.000 1.439 413 F CB -0.093 38.810 39.000 -0.160 0.000 1.085 413 F HN -0.047 nan 8.300 nan 0.000 0.564 414 L N -0.566 120.800 121.223 0.239 0.000 2.156 414 L HA -0.080 4.260 4.340 -0.000 0.000 0.208 414 L C 1.701 178.590 176.870 0.032 0.000 1.095 414 L CA 0.548 55.498 54.840 0.182 0.000 0.770 414 L CB -0.851 41.316 42.059 0.181 0.000 0.914 414 L HN 0.109 nan 8.230 nan 0.000 0.439 415 S N 0.047 115.760 115.700 0.022 0.000 2.580 415 S HA 0.172 4.642 4.470 -0.000 0.000 0.266 415 S C -0.189 174.330 174.600 -0.136 0.000 1.354 415 S CA -0.435 57.731 58.200 -0.056 0.000 1.008 415 S CB 1.254 64.423 63.200 -0.052 0.000 0.898 415 S HN 0.324 nan 8.310 nan 0.000 0.555 416 Q N 0.229 119.922 119.800 -0.179 0.000 2.507 416 Q HA 0.309 4.649 4.340 -0.000 0.000 0.242 416 Q C -3.199 172.702 176.000 -0.166 0.000 0.911 416 Q CA -1.554 54.167 55.803 -0.136 0.000 1.019 416 Q CB 1.930 30.662 28.738 -0.010 0.000 1.523 416 Q HN 0.546 nan 8.270 nan 0.000 0.459 417 P HA 0.152 nan 4.420 nan 0.000 0.271 417 P C -0.996 176.452 177.300 0.248 0.000 1.220 417 P CA 0.053 63.151 63.100 -0.003 0.000 0.768 417 P CB 0.218 31.912 31.700 -0.010 0.000 0.848 418 F N 1.833 121.799 119.950 0.026 0.000 2.399 418 F HA 0.263 4.790 4.527 -0.000 0.000 0.334 418 F C 2.103 177.920 175.800 0.030 0.000 1.097 418 F CA -1.104 56.915 58.000 0.031 0.000 1.076 418 F CB 1.053 40.082 39.000 0.049 0.000 1.162 418 F HN 0.430 nan 8.300 nan 0.000 0.495 419 Q N 1.725 121.614 119.800 0.148 0.000 2.045 419 Q HA -0.146 4.194 4.340 -0.000 0.000 0.206 419 Q C 1.576 177.621 176.000 0.075 0.000 0.991 419 Q CA 2.309 58.155 55.803 0.072 0.000 0.851 419 Q CB -0.086 28.659 28.738 0.012 0.000 0.911 419 Q HN 0.556 nan 8.270 nan 0.000 0.418 420 V N 0.417 120.382 119.914 0.084 0.000 2.720 420 V HA -0.183 3.937 4.120 -0.000 0.000 0.256 420 V C 1.627 177.813 176.094 0.153 0.000 1.082 420 V CA 1.538 63.892 62.300 0.089 0.000 1.101 420 V CB -0.491 31.380 31.823 0.079 0.000 0.693 420 V HN 0.486 nan 8.190 nan 0.000 0.479 421 A N -1.104 121.855 122.820 0.233 0.000 2.545 421 A HA 0.207 4.527 4.320 -0.000 0.000 0.277 421 A C 1.677 179.340 177.584 0.131 0.000 1.301 421 A CA -0.139 52.075 52.037 0.295 0.000 0.935 421 A CB -0.252 18.948 19.000 0.333 0.000 1.093 421 A HN 0.527 nan 8.150 nan 0.000 0.519 422 E N -0.001 120.221 120.200 0.037 0.000 2.130 422 E HA -0.207 4.143 4.350 -0.000 0.000 0.196 422 E C 1.944 178.478 176.600 -0.110 0.000 0.998 422 E CA 1.768 58.163 56.400 -0.009 0.000 0.806 422 E CB -0.366 29.323 29.700 -0.019 0.000 0.738 422 E HN 0.681 nan 8.360 nan 0.000 0.459 423 V N -1.517 118.216 119.914 -0.302 0.000 2.913 423 V HA -0.164 3.956 4.120 -0.000 0.000 0.260 423 V C 1.489 177.337 176.094 -0.410 0.000 1.098 423 V CA 1.409 63.441 62.300 -0.446 0.000 1.121 423 V CB -0.588 30.818 31.823 -0.695 0.000 0.714 423 V HN 0.093 nan 8.190 nan 0.000 0.487 424 F N 1.435 121.369 119.950 -0.026 0.000 2.592 424 F HA 0.180 4.707 4.527 -0.000 0.000 0.280 424 F C 2.624 178.407 175.800 -0.028 0.000 1.083 424 F CA 0.961 58.936 58.000 -0.042 0.000 1.365 424 F CB -0.941 38.005 39.000 -0.090 0.000 1.100 424 F HN 0.208 nan 8.300 nan 0.000 0.633 425 T N -2.777 111.876 114.554 0.165 0.000 2.937 425 T HA 0.274 4.624 4.350 -0.000 0.000 0.260 425 T C 1.884 176.587 174.700 0.005 0.000 1.051 425 T CA 0.850 63.042 62.100 0.155 0.000 1.141 425 T CB -0.663 68.345 68.868 0.233 0.000 0.879 425 T HN 0.467 nan 8.240 nan 0.000 0.459 426 G N 1.168 109.942 108.800 -0.044 0.000 2.160 426 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.244 426 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.244 426 G C -0.173 174.561 174.900 -0.277 0.000 1.022 426 G CA 0.233 45.240 45.100 -0.154 0.000 0.741 426 G HN 0.872 nan 8.290 nan 0.000 0.508 427 H N -1.965 117.108 119.070 0.004 0.000 2.865 427 H HA 0.629 5.185 4.556 -0.000 0.000 0.372 427 H C -0.195 175.133 175.328 0.001 0.000 1.173 427 H CA -1.098 54.949 56.048 -0.002 0.000 1.147 427 H CB 1.760 31.514 29.762 -0.014 0.000 1.805 427 H HN 0.243 nan 8.280 nan 0.000 0.553 428 L N 1.644 122.956 121.223 0.148 0.000 2.367 428 L HA 0.373 4.713 4.340 -0.000 0.000 0.275 428 L C 0.598 177.515 176.870 0.077 0.000 1.129 428 L CA 0.073 54.961 54.840 0.079 0.000 0.839 428 L CB 0.415 42.505 42.059 0.052 0.000 1.133 428 L HN 0.791 nan 8.230 nan 0.000 0.453 429 G N 4.741 113.584 108.800 0.072 0.000 2.313 429 G HA2 0.210 4.170 3.960 -0.000 0.000 0.250 429 G HA3 0.210 4.170 3.960 -0.000 0.000 0.250 429 G C -0.301 174.633 174.900 0.058 0.000 1.281 429 G CA -0.511 44.641 45.100 0.086 0.000 0.917 429 G HN 0.580 nan 8.290 nan 0.000 0.501 430 K N 1.359 121.793 120.400 0.058 0.000 2.156 430 K HA 0.531 4.851 4.320 -0.000 0.000 0.250 430 K C -0.859 175.768 176.600 0.044 0.000 0.955 430 K CA -0.852 55.454 56.287 0.032 0.000 0.855 430 K CB 2.699 35.201 32.500 0.003 0.000 1.101 430 K HN 0.372 nan 8.250 nan 0.000 0.434 431 L N 1.351 122.587 121.223 0.021 0.000 2.409 431 L HA 0.391 4.731 4.340 -0.000 0.000 0.272 431 L C -1.426 175.447 176.870 0.005 0.000 0.980 431 L CA -0.767 54.080 54.840 0.012 0.000 0.826 431 L CB 1.903 43.961 42.059 -0.002 0.000 1.268 431 L HN 0.252 nan 8.230 nan 0.000 0.407 432 V N 5.516 125.431 119.914 0.002 0.000 2.495 432 V HA 0.545 4.665 4.120 -0.000 0.000 0.298 432 V C -2.155 173.942 176.094 0.004 0.000 1.031 432 V CA -1.705 60.596 62.300 0.001 0.000 0.871 432 V CB 1.565 33.380 31.823 -0.013 0.000 0.988 432 V HN 0.647 nan 8.190 nan 0.000 0.432 433 P HA 0.155 nan 4.420 nan 0.000 0.271 433 P C 0.744 178.047 177.300 0.006 0.000 1.218 433 P CA -0.405 62.699 63.100 0.007 0.000 0.780 433 P CB 0.807 32.514 31.700 0.011 0.000 0.901 434 L N 3.483 124.702 121.223 -0.007 0.000 1.997 434 L HA -0.252 4.088 4.340 -0.000 0.000 0.216 434 L C 2.036 178.884 176.870 -0.037 0.000 1.074 434 L CA 2.153 56.971 54.840 -0.036 0.000 0.763 434 L CB -1.096 40.935 42.059 -0.047 0.000 0.890 434 L HN 0.320 nan 8.230 nan 0.000 0.434 435 K N -0.888 119.502 120.400 -0.016 0.000 2.032 435 K HA -0.170 4.150 4.320 -0.000 0.000 0.209 435 K C 1.942 178.562 176.600 0.033 0.000 1.048 435 K CA 1.606 57.893 56.287 0.000 0.000 0.927 435 K CB -0.177 32.329 32.500 0.011 0.000 0.712 435 K HN 0.362 nan 8.250 nan 0.000 0.441 436 E N 0.099 120.325 120.200 0.043 0.000 2.204 436 E HA -0.117 4.233 4.350 -0.000 0.000 0.194 436 E C 2.016 178.685 176.600 0.116 0.000 0.989 436 E CA 1.066 57.508 56.400 0.069 0.000 0.824 436 E CB -0.248 29.487 29.700 0.057 0.000 0.756 436 E HN 0.276 nan 8.360 nan 0.000 0.477 437 T N 1.679 116.299 114.554 0.109 0.000 2.701 437 T HA -0.065 4.285 4.350 -0.000 0.000 0.263 437 T C 2.104 176.990 174.700 0.309 0.000 1.040 437 T CA 0.860 63.079 62.100 0.198 0.000 1.147 437 T CB -0.186 68.765 68.868 0.139 0.000 0.865 437 T HN 0.110 nan 8.240 nan 0.000 0.426 438 I N 1.224 121.890 120.570 0.160 0.000 2.163 438 I HA -0.227 3.943 4.170 -0.000 0.000 0.243 438 I C 2.636 178.868 176.117 0.192 0.000 1.085 438 I CA 1.476 62.868 61.300 0.152 0.000 1.347 438 I CB -0.449 37.559 38.000 0.015 0.000 1.044 438 I HN 0.269 nan 8.210 nan 0.000 0.408 439 K N 1.547 122.032 120.400 0.142 0.000 2.002 439 K HA -0.171 4.149 4.320 -0.000 0.000 0.209 439 K C 2.167 178.850 176.600 0.138 0.000 1.048 439 K CA 1.860 58.222 56.287 0.124 0.000 0.930 439 K CB -0.594 31.961 32.500 0.092 0.000 0.714 439 K HN 0.325 nan 8.250 nan 0.000 0.438 440 G N 0.646 109.532 108.800 0.143 0.000 2.491 440 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.218 440 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.218 440 G C 1.271 176.123 174.900 -0.080 0.000 1.180 440 G CA 1.052 46.147 45.100 -0.008 0.000 0.774 440 G HN 0.321 nan 8.290 nan 0.000 0.562 441 F N 0.576 120.657 119.950 0.218 0.000 2.186 441 F HA 0.034 4.561 4.527 -0.000 0.000 0.299 441 F C 2.897 178.753 175.800 0.093 0.000 1.090 441 F CA 1.451 59.551 58.000 0.167 0.000 1.307 441 F CB -0.524 38.588 39.000 0.186 0.000 1.019 441 F HN 0.177 nan 8.300 nan 0.000 0.489 442 Q N 0.309 120.266 119.800 0.261 0.000 2.014 442 Q HA -0.289 4.051 4.340 -0.000 0.000 0.207 442 Q C 2.216 178.287 176.000 0.119 0.000 0.993 442 Q CA 2.286 58.185 55.803 0.160 0.000 0.850 442 Q CB -0.187 28.626 28.738 0.125 0.000 0.916 442 Q HN 0.473 nan 8.270 nan 0.000 0.417 443 Q N -0.097 119.775 119.800 0.119 0.000 2.077 443 Q HA -0.200 4.140 4.340 -0.000 0.000 0.206 443 Q C 2.163 178.231 176.000 0.114 0.000 0.989 443 Q CA 1.709 57.578 55.803 0.110 0.000 0.853 443 Q CB -0.227 28.654 28.738 0.238 0.000 0.907 443 Q HN 0.488 nan 8.270 nan 0.000 0.418 444 I N 0.576 121.224 120.570 0.131 0.000 2.226 444 I HA -0.277 3.893 4.170 -0.000 0.000 0.245 444 I C 2.188 178.327 176.117 0.036 0.000 1.100 444 I CA 0.959 62.309 61.300 0.083 0.000 1.374 444 I CB -0.194 37.768 38.000 -0.062 0.000 1.057 444 I HN 0.238 nan 8.210 nan 0.000 0.413 445 L N 0.460 121.722 121.223 0.065 0.000 2.191 445 L HA -0.154 4.186 4.340 -0.000 0.000 0.212 445 L C 2.285 179.167 176.870 0.020 0.000 1.103 445 L CA 0.997 55.865 54.840 0.046 0.000 0.769 445 L CB -0.487 41.614 42.059 0.071 0.000 0.908 445 L HN 0.245 nan 8.230 nan 0.000 0.438 446 A N -0.761 122.070 122.820 0.018 0.000 2.327 446 A HA 0.328 4.648 4.320 -0.000 0.000 0.228 446 A C 1.731 179.301 177.584 -0.024 0.000 1.275 446 A CA 0.673 52.708 52.037 -0.002 0.000 0.875 446 A CB -0.512 18.485 19.000 -0.004 0.000 0.925 446 A HN 0.540 nan 8.150 nan 0.000 0.493 447 G N -0.339 108.445 108.800 -0.027 0.000 2.328 447 G HA2 -0.403 3.557 3.960 -0.000 0.000 0.256 447 G HA3 -0.403 3.557 3.960 -0.000 0.000 0.256 447 G C 0.895 175.752 174.900 -0.072 0.000 1.014 447 G CA 0.872 45.949 45.100 -0.038 0.000 0.620 447 G HN 0.563 nan 8.290 nan 0.000 0.530 448 E N -0.191 119.933 120.200 -0.126 0.000 2.094 448 E HA -0.251 4.099 4.350 -0.000 0.000 0.232 448 E C 1.170 177.542 176.600 -0.380 0.000 1.055 448 E CA 2.071 58.301 56.400 -0.284 0.000 0.923 448 E CB -0.328 29.074 29.700 -0.496 0.000 0.815 448 E HN 0.676 nan 8.360 nan 0.000 0.502 449 Y N 1.361 121.561 120.300 -0.165 0.000 2.687 449 Y HA -0.016 4.534 4.550 -0.000 0.000 0.367 449 Y C 1.013 176.689 175.900 -0.373 0.000 1.119 449 Y CA -0.088 57.769 58.100 -0.405 0.000 1.459 449 Y CB -0.298 38.102 38.460 -0.099 0.000 1.399 449 Y HN 0.047 nan 8.280 nan 0.000 0.481 450 D N -0.521 119.756 120.400 -0.205 0.000 2.264 450 D HA -0.162 4.478 4.640 -0.000 0.000 0.208 450 D C 2.009 178.281 176.300 -0.047 0.000 0.966 450 D CA 1.157 55.112 54.000 -0.076 0.000 0.864 450 D CB -0.131 40.659 40.800 -0.016 0.000 0.933 450 D HN 0.655 nan 8.370 nan 0.000 0.499 451 H N -0.930 118.191 119.070 0.086 0.000 2.548 451 H HA 0.133 4.689 4.556 -0.000 0.000 0.268 451 H C 0.760 176.143 175.328 0.092 0.000 0.975 451 H CA -0.018 56.071 56.048 0.068 0.000 1.195 451 H CB 0.078 29.863 29.762 0.039 0.000 1.397 451 H HN 0.086 nan 8.280 nan 0.000 0.572 452 L N 2.727 123.943 121.223 -0.012 0.000 2.399 452 L HA 0.325 4.665 4.340 -0.000 0.000 0.266 452 L C -2.104 174.860 176.870 0.156 0.000 1.114 452 L CA -2.233 52.661 54.840 0.089 0.000 0.804 452 L CB 0.821 42.870 42.059 -0.018 0.000 1.146 452 L HN 0.016 nan 8.230 nan 0.000 0.451 453 P HA 0.136 nan 4.420 nan 0.000 0.278 453 P C 0.001 177.444 177.300 0.239 0.000 1.238 453 P CA -0.379 62.799 63.100 0.131 0.000 0.794 453 P CB 0.881 32.628 31.700 0.078 0.000 0.955 454 E N 0.780 121.097 120.200 0.195 0.000 2.070 454 E HA -0.249 4.101 4.350 -0.000 0.000 0.197 454 E C 1.771 178.551 176.600 0.300 0.000 1.004 454 E CA 1.302 57.838 56.400 0.227 0.000 0.805 454 E CB -0.139 29.598 29.700 0.061 0.000 0.744 454 E HN 0.477 nan 8.360 nan 0.000 0.451 455 Q N -0.336 119.569 119.800 0.174 0.000 2.368 455 Q HA -0.133 4.207 4.340 -0.000 0.000 0.210 455 Q C 2.063 178.161 176.000 0.163 0.000 0.982 455 Q CA 1.028 56.934 55.803 0.171 0.000 0.884 455 Q CB -0.189 28.615 28.738 0.109 0.000 0.933 455 Q HN 0.281 nan 8.270 nan 0.000 0.460 456 A N -0.092 122.776 122.820 0.080 0.000 1.978 456 A HA -0.158 4.162 4.320 -0.000 0.000 0.220 456 A C 1.626 179.081 177.584 -0.215 0.000 1.170 456 A CA 1.170 53.118 52.037 -0.148 0.000 0.636 456 A CB -0.653 18.111 19.000 -0.393 0.000 0.810 456 A HN 0.311 nan 8.150 nan 0.000 0.448 457 F N -2.542 117.413 119.950 0.008 0.000 2.615 457 F HA 0.133 4.660 4.527 -0.000 0.000 0.297 457 F C 0.896 176.769 175.800 0.122 0.000 1.124 457 F CA -0.121 57.904 58.000 0.042 0.000 1.451 457 F CB -0.396 38.613 39.000 0.014 0.000 1.103 457 F HN 0.274 nan 8.300 nan 0.000 0.569 458 Y N 2.210 122.610 120.300 0.166 0.000 2.569 458 Y HA 0.181 4.731 4.550 -0.000 0.000 0.332 458 Y C 0.650 176.555 175.900 0.007 0.000 1.120 458 Y CA -1.188 56.965 58.100 0.088 0.000 1.416 458 Y CB -0.022 38.481 38.460 0.072 0.000 1.210 458 Y HN 0.064 nan 8.280 nan 0.000 0.528 459 M N 5.905 125.133 119.600 -0.620 0.000 2.399 459 M HA -0.173 4.307 4.480 -0.000 0.000 0.191 459 M C -1.050 175.003 176.300 -0.413 0.000 0.732 459 M CA 1.089 55.992 55.300 -0.662 0.000 0.512 459 M CB -2.462 29.497 32.600 -1.068 0.000 1.191 459 M HN 0.487 nan 8.290 nan 0.000 0.894 460 V N -2.778 117.007 119.914 -0.216 0.000 3.105 460 V HA 1.106 5.226 4.120 -0.000 0.000 0.311 460 V C 0.676 176.708 176.094 -0.102 0.000 1.282 460 V CA 0.040 62.255 62.300 -0.141 0.000 1.065 460 V CB 1.541 33.321 31.823 -0.071 0.000 1.136 460 V HN 0.422 nan 8.190 nan 0.000 0.469 461 G N -0.156 108.611 108.800 -0.054 0.000 3.226 461 G HA2 0.503 4.463 3.960 -0.000 0.000 0.190 461 G HA3 0.503 4.463 3.960 -0.000 0.000 0.190 461 G C -2.259 172.634 174.900 -0.011 0.000 1.988 461 G CA -0.254 44.819 45.100 -0.046 0.000 0.859 461 G HN 0.781 nan 8.290 nan 0.000 0.631 462 P HA 0.132 nan 4.420 nan 0.000 0.274 462 P C 0.791 178.208 177.300 0.194 0.000 1.260 462 P CA -0.462 62.707 63.100 0.115 0.000 0.793 462 P CB 1.239 32.971 31.700 0.053 0.000 1.048 463 I N 0.282 120.933 120.570 0.135 0.000 2.315 463 I HA -0.243 3.927 4.170 -0.000 0.000 0.248 463 I C 1.877 177.834 176.117 -0.267 0.000 1.117 463 I CA 1.749 62.907 61.300 -0.237 0.000 1.404 463 I CB -0.592 37.120 38.000 -0.479 0.000 1.071 463 I HN 0.207 nan 8.210 nan 0.000 0.419 464 E N 0.763 120.889 120.200 -0.123 0.000 2.171 464 E HA -0.256 4.094 4.350 -0.000 0.000 0.197 464 E C 2.034 178.563 176.600 -0.119 0.000 0.997 464 E CA 1.584 57.922 56.400 -0.103 0.000 0.810 464 E CB -0.309 29.369 29.700 -0.036 0.000 0.738 464 E HN 0.601 nan 8.360 nan 0.000 0.467 465 E N -0.041 120.101 120.200 -0.097 0.000 2.150 465 E HA -0.112 4.238 4.350 -0.000 0.000 0.193 465 E C 1.930 178.436 176.600 -0.157 0.000 0.985 465 E CA 0.904 57.249 56.400 -0.093 0.000 0.814 465 E CB -0.094 29.572 29.700 -0.057 0.000 0.752 465 E HN 0.304 nan 8.360 nan 0.000 0.466 466 A N 0.804 123.467 122.820 -0.261 0.000 2.067 466 A HA -0.032 4.288 4.320 -0.000 0.000 0.217 466 A C 2.374 179.689 177.584 -0.449 0.000 1.156 466 A CA 0.461 52.239 52.037 -0.432 0.000 0.683 466 A CB -0.117 18.431 19.000 -0.753 0.000 0.808 466 A HN 0.062 nan 8.150 nan 0.000 0.455 467 V N -0.118 119.580 119.914 -0.360 0.000 2.283 467 V HA -0.193 3.926 4.120 -0.000 0.000 0.243 467 V C 3.025 179.044 176.094 -0.125 0.000 1.039 467 V CA 1.705 63.874 62.300 -0.218 0.000 1.016 467 V CB -1.250 30.505 31.823 -0.113 0.000 0.650 467 V HN 0.593 nan 8.190 nan 0.000 0.449 468 A N 0.125 122.881 122.820 -0.107 0.000 1.852 468 A HA -0.365 3.954 4.320 -0.000 0.000 0.217 468 A C 2.295 179.839 177.584 -0.067 0.000 1.215 468 A CA 2.694 54.692 52.037 -0.066 0.000 0.641 468 A CB -0.847 18.120 19.000 -0.055 0.000 0.838 468 A HN 0.486 nan 8.150 nan 0.000 0.450 469 K N -0.603 119.746 120.400 -0.085 0.000 2.127 469 K HA -0.273 4.047 4.320 -0.000 0.000 0.212 469 K C 2.124 178.686 176.600 -0.063 0.000 1.050 469 K CA 1.690 57.936 56.287 -0.068 0.000 0.929 469 K CB -0.414 32.033 32.500 -0.087 0.000 0.715 469 K HN 0.469 nan 8.250 nan 0.000 0.457 470 A N 1.541 124.300 122.820 -0.102 0.000 1.873 470 A HA -0.254 4.066 4.320 -0.000 0.000 0.218 470 A C 1.622 179.193 177.584 -0.022 0.000 1.193 470 A CA 2.327 54.323 52.037 -0.067 0.000 0.629 470 A CB -0.790 18.160 19.000 -0.083 0.000 0.826 470 A HN 0.484 nan 8.150 nan 0.000 0.447 471 D N -0.535 119.853 120.400 -0.019 0.000 2.087 471 D HA -0.180 4.460 4.640 -0.000 0.000 0.192 471 D C 1.871 178.170 176.300 -0.002 0.000 0.993 471 D CA 1.689 55.685 54.000 -0.005 0.000 0.828 471 D CB -0.330 40.466 40.800 -0.007 0.000 0.968 471 D HN 0.566 nan 8.370 nan 0.000 0.448 472 K N 0.477 120.874 120.400 -0.006 0.000 2.228 472 K HA -0.143 4.177 4.320 -0.000 0.000 0.205 472 K C 1.837 178.443 176.600 0.009 0.000 1.045 472 K CA 0.744 57.033 56.287 0.002 0.000 0.931 472 K CB -0.206 32.296 32.500 0.003 0.000 0.727 472 K HN 0.180 nan 8.250 nan 0.000 0.458 473 L N 0.218 121.446 121.223 0.009 0.000 2.456 473 L HA -0.112 4.228 4.340 -0.000 0.000 0.224 473 L C 2.414 179.294 176.870 0.018 0.000 1.148 473 L CA 0.561 55.411 54.840 0.017 0.000 0.825 473 L CB -0.504 41.566 42.059 0.019 0.000 0.937 473 L HN 0.285 nan 8.230 nan 0.000 0.450 474 A N -0.125 122.703 122.820 0.014 0.000 1.917 474 A HA -0.173 4.147 4.320 -0.000 0.000 0.219 474 A C 1.037 178.629 177.584 0.014 0.000 1.182 474 A CA 1.939 53.984 52.037 0.014 0.000 0.633 474 A CB -0.086 18.920 19.000 0.010 0.000 0.819 474 A HN 0.489 nan 8.150 nan 0.000 0.448 475 E N 0.000 120.208 120.200 0.013 0.000 2.725 475 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 475 E CA 0.000 56.408 56.400 0.014 0.000 0.976 475 E CB 0.000 29.707 29.700 0.011 0.000 0.812 475 E HN 0.000 nan 8.360 nan 0.000 0.440