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 2jiz_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 0.000 174.837 174.700 0.228 0.000 1.109 9 T CA 0.000 62.179 62.100 0.132 0.000 1.349 9 T CB 0.000 68.949 68.868 0.135 0.000 0.612 10 T N 2.188 116.838 114.554 0.160 0.000 2.837 10 T HA 0.748 5.100 4.350 0.003 0.000 0.285 10 T C 0.713 175.334 174.700 -0.131 0.000 0.984 10 T CA -0.246 61.886 62.100 0.054 0.000 1.049 10 T CB 1.370 70.232 68.868 -0.010 0.000 0.947 10 T HN 1.082 nan 8.240 nan 0.000 0.472 11 G N 1.854 110.331 108.800 -0.538 0.000 2.816 11 G HA2 0.768 4.730 3.960 0.003 0.000 0.288 11 G HA3 0.768 4.730 3.960 0.003 0.000 0.288 11 G C -1.228 173.310 174.900 -0.604 0.000 1.334 11 G CA -0.986 43.387 45.100 -1.211 0.000 0.978 11 G HN 0.576 nan 8.290 nan 0.000 0.493 12 R N -0.804 119.388 120.500 -0.514 0.000 2.686 12 R HA 0.401 4.742 4.340 0.003 0.000 0.283 12 R C -0.437 175.740 176.300 -0.205 0.000 0.978 12 R CA -0.748 55.192 56.100 -0.266 0.000 0.897 12 R CB 2.502 32.692 30.300 -0.183 0.000 1.192 12 R HN 0.396 nan 8.270 nan 0.000 0.457 13 I N 3.550 124.043 120.570 -0.129 0.000 2.598 13 I HA -0.053 4.118 4.170 0.003 0.000 0.284 13 I C 1.426 177.504 176.117 -0.064 0.000 1.140 13 I CA 0.186 61.438 61.300 -0.079 0.000 1.420 13 I CB 0.892 38.862 38.000 -0.051 0.000 1.387 13 I HN 0.569 nan 8.210 nan 0.000 0.553 14 V N 3.046 122.931 119.914 -0.048 0.000 3.635 14 V HA 0.564 4.686 4.120 0.003 0.000 0.266 14 V C 0.567 176.649 176.094 -0.021 0.000 1.316 14 V CA 0.317 62.596 62.300 -0.035 0.000 1.060 14 V CB 0.288 32.092 31.823 -0.033 0.000 0.820 14 V HN 0.714 nan 8.190 nan 0.000 0.447 15 A N -0.131 122.681 122.820 -0.015 0.000 2.547 15 A HA 0.824 5.146 4.320 0.003 0.000 0.297 15 A C -1.255 176.326 177.584 -0.005 0.000 1.056 15 A CA -0.413 51.619 52.037 -0.008 0.000 0.688 15 A CB 2.266 21.265 19.000 -0.003 0.000 1.282 15 A HN 0.541 nan 8.150 nan 0.000 0.400 16 V N 2.457 122.369 119.914 -0.004 0.000 2.525 16 V HA 0.560 4.682 4.120 0.003 0.000 0.299 16 V C -0.840 175.253 176.094 -0.001 0.000 1.034 16 V CA -0.111 62.188 62.300 -0.002 0.000 0.863 16 V CB 1.371 33.192 31.823 -0.003 0.000 0.999 16 V HN 0.717 nan 8.190 nan 0.000 0.423 17 I N 4.073 124.643 120.570 0.001 0.000 2.497 17 I HA 0.638 4.810 4.170 0.003 0.000 0.284 17 I C 0.966 177.083 176.117 0.000 0.000 1.060 17 I CA -0.066 61.234 61.300 -0.000 0.000 1.071 17 I CB 1.606 39.606 38.000 -0.000 0.000 1.216 17 I HN 0.849 nan 8.210 nan 0.000 0.442 18 G N 4.646 113.446 108.800 -0.000 0.000 2.634 18 G HA2 -0.374 3.588 3.960 0.003 0.000 0.309 18 G HA3 -0.374 3.588 3.960 0.003 0.000 0.309 18 G C 0.966 175.867 174.900 0.001 0.000 1.265 18 G CA 0.658 45.758 45.100 -0.001 0.000 0.998 18 G HN 0.901 nan 8.290 nan 0.000 0.551 19 A N -0.896 121.924 122.820 -0.000 0.000 2.209 19 A HA 0.495 4.817 4.320 0.003 0.000 0.212 19 A C 1.109 178.696 177.584 0.005 0.000 1.158 19 A CA 1.847 53.885 52.037 0.002 0.000 0.742 19 A CB -0.077 18.922 19.000 -0.002 0.000 0.790 19 A HN 1.402 nan 8.150 nan 0.000 0.472 20 V N 1.107 121.024 119.914 0.005 0.000 2.370 20 V HA 0.389 4.511 4.120 0.003 0.000 0.279 20 V C -0.562 175.538 176.094 0.011 0.000 1.029 20 V CA -0.447 61.858 62.300 0.009 0.000 0.870 20 V CB 1.314 33.141 31.823 0.006 0.000 0.984 20 V HN 0.087 nan 8.190 nan 0.000 0.451 21 V N 3.917 123.841 119.914 0.017 0.000 2.540 21 V HA 0.508 4.630 4.120 0.003 0.000 0.302 21 V C -0.725 175.385 176.094 0.026 0.000 1.035 21 V CA -0.782 61.529 62.300 0.017 0.000 0.873 21 V CB 2.123 33.956 31.823 0.018 0.000 0.992 21 V HN 0.772 nan 8.190 nan 0.000 0.428 22 D N 2.940 123.351 120.400 0.019 0.000 2.193 22 D HA 0.608 5.249 4.640 0.003 0.000 0.244 22 D C -0.649 175.660 176.300 0.015 0.000 1.064 22 D CA -0.059 53.956 54.000 0.025 0.000 0.845 22 D CB 2.210 43.020 40.800 0.016 0.000 1.148 22 D HN 0.270 nan 8.370 nan 0.000 0.464 23 V N 2.408 122.348 119.914 0.043 0.000 2.531 23 V HA 0.280 4.402 4.120 0.003 0.000 0.301 23 V C -0.145 175.952 176.094 0.006 0.000 1.034 23 V CA -0.883 61.415 62.300 -0.003 0.000 0.865 23 V CB 1.882 33.744 31.823 0.066 0.000 0.995 23 V HN 0.397 nan 8.190 nan 0.000 0.424 24 Q N 3.076 122.798 119.800 -0.130 0.000 2.257 24 Q HA 0.628 4.970 4.340 0.003 0.000 0.255 24 Q C -1.811 174.034 176.000 -0.259 0.000 0.920 24 Q CA -0.417 55.339 55.803 -0.079 0.000 0.927 24 Q CB 1.266 29.965 28.738 -0.064 0.000 1.229 24 Q HN 0.621 nan 8.270 nan 0.000 0.433 25 F N 2.086 122.004 119.950 -0.054 0.000 2.482 25 F HA 0.244 4.772 4.527 0.002 0.000 0.331 25 F C 0.514 176.288 175.800 -0.043 0.000 1.115 25 F CA -0.715 57.256 58.000 -0.048 0.000 0.955 25 F CB 1.799 40.763 39.000 -0.060 0.000 1.136 25 F HN 0.624 nan 8.300 nan 0.000 0.452 26 D N 1.316 121.777 120.400 0.102 0.000 2.305 26 D HA 0.008 4.650 4.640 0.003 0.000 0.206 26 D C 0.969 177.308 176.300 0.065 0.000 0.974 26 D CA 1.072 55.105 54.000 0.056 0.000 0.871 26 D CB 0.383 41.193 40.800 0.017 0.000 0.947 26 D HN 0.620 nan 8.370 nan 0.000 0.516 27 E N -0.179 120.080 120.200 0.098 0.000 3.592 27 E HA 0.397 4.749 4.350 0.003 0.000 0.326 27 E C 0.944 177.570 176.600 0.044 0.000 0.745 27 E CA -0.274 56.163 56.400 0.062 0.000 1.407 27 E CB -0.442 29.292 29.700 0.056 0.000 2.564 27 E HN -0.026 nan 8.360 nan 0.000 0.527 28 G N 1.202 110.017 108.800 0.025 0.000 2.338 28 G HA2 0.396 4.357 3.960 0.003 0.000 0.295 28 G HA3 0.396 4.357 3.960 0.003 0.000 0.295 28 G C -0.757 174.053 174.900 -0.149 0.000 1.132 28 G CA -0.392 44.684 45.100 -0.040 0.000 0.922 28 G HN -0.011 nan 8.290 nan 0.000 0.427 29 L N 5.462 126.578 121.223 -0.178 0.000 2.462 29 L HA 0.256 4.598 4.340 0.003 0.000 0.272 29 L C -1.443 175.223 176.870 -0.340 0.000 1.166 29 L CA -1.798 52.829 54.840 -0.355 0.000 0.880 29 L CB 0.675 42.529 42.059 -0.342 0.000 1.142 29 L HN 0.361 nan 8.230 nan 0.000 0.473 30 P HA 0.143 nan 4.420 nan 0.000 0.267 30 P C -2.636 174.654 177.300 -0.017 0.000 1.205 30 P CA -1.189 61.733 63.100 -0.296 0.000 0.765 30 P CB -0.082 31.376 31.700 -0.404 0.000 0.828 31 P HA 0.090 nan 4.420 nan 0.000 0.269 31 P C 0.541 177.838 177.300 -0.005 0.000 1.217 31 P CA 0.025 63.142 63.100 0.028 0.000 0.783 31 P CB 0.532 32.206 31.700 -0.043 0.000 0.898 32 I N 2.375 122.874 120.570 -0.118 0.000 2.845 32 I HA -0.168 4.004 4.170 0.003 0.000 0.296 32 I C 1.587 177.628 176.117 -0.127 0.000 1.216 32 I CA 0.742 61.970 61.300 -0.120 0.000 1.438 32 I CB -0.392 37.495 38.000 -0.188 0.000 1.342 32 I HN 0.439 nan 8.210 nan 0.000 0.577 33 L N 1.807 122.949 121.223 -0.136 0.000 4.383 33 L HA -0.242 4.100 4.340 0.003 0.000 0.402 33 L C 0.206 177.010 176.870 -0.109 0.000 0.803 33 L CA 0.059 54.768 54.840 -0.219 0.000 2.175 33 L CB -1.591 40.235 42.059 -0.389 0.000 1.434 33 L HN 0.691 nan 8.230 nan 0.000 0.591 34 N N 1.417 120.081 118.700 -0.061 0.000 2.454 34 N HA 0.433 5.174 4.740 0.003 0.000 0.254 34 N C 0.336 175.846 175.510 -0.001 0.000 1.228 34 N CA 0.977 54.009 53.050 -0.030 0.000 0.900 34 N CB 0.870 39.329 38.487 -0.046 0.000 1.089 34 N HN 0.312 nan 8.380 nan 0.000 0.449 35 A N 3.020 125.850 122.820 0.016 0.000 2.362 35 A HA 0.443 4.765 4.320 0.003 0.000 0.276 35 A C -0.236 177.367 177.584 0.032 0.000 1.153 35 A CA -0.405 51.651 52.037 0.033 0.000 0.813 35 A CB -0.111 18.911 19.000 0.037 0.000 1.081 35 A HN 0.637 nan 8.150 nan 0.000 0.507 36 L N 2.365 123.620 121.223 0.052 0.000 2.325 36 L HA 0.483 4.825 4.340 0.003 0.000 0.278 36 L C -0.152 176.757 176.870 0.065 0.000 1.023 36 L CA -0.706 54.183 54.840 0.081 0.000 0.811 36 L CB 1.617 43.759 42.059 0.139 0.000 1.249 36 L HN 0.604 nan 8.230 nan 0.000 0.431 37 E N 2.746 122.983 120.200 0.062 0.000 2.113 37 E HA 0.284 4.635 4.350 0.003 0.000 0.273 37 E C -0.831 175.791 176.600 0.035 0.000 0.924 37 E CA -0.601 55.823 56.400 0.040 0.000 0.764 37 E CB 2.433 32.150 29.700 0.027 0.000 1.104 37 E HN 0.210 nan 8.360 nan 0.000 0.406 38 V N 4.143 124.072 119.914 0.026 0.000 2.508 38 V HA -0.019 4.103 4.120 0.003 0.000 0.281 38 V C 0.673 176.770 176.094 0.005 0.000 1.041 38 V CA -0.350 61.957 62.300 0.012 0.000 1.016 38 V CB 0.629 32.458 31.823 0.009 0.000 0.984 38 V HN 0.478 nan 8.190 nan 0.000 0.478 39 Q N 2.514 122.312 119.800 -0.004 0.000 2.312 39 Q HA 0.407 4.749 4.340 0.003 0.000 0.236 39 Q C 1.224 177.219 176.000 -0.009 0.000 0.965 39 Q CA 0.461 56.260 55.803 -0.007 0.000 0.894 39 Q CB 0.903 29.634 28.738 -0.012 0.000 1.225 39 Q HN 1.156 nan 8.270 nan 0.000 0.478 40 G N 1.533 110.328 108.800 -0.007 0.000 2.221 40 G HA2 -0.236 3.726 3.960 0.003 0.000 0.265 40 G HA3 -0.236 3.726 3.960 0.003 0.000 0.265 40 G C -0.173 174.725 174.900 -0.005 0.000 1.041 40 G CA 0.107 45.203 45.100 -0.007 0.000 0.807 40 G HN 0.288 nan 8.290 nan 0.000 0.502 41 R N -0.559 119.939 120.500 -0.002 0.000 2.778 41 R HA 0.467 4.808 4.340 0.003 0.000 0.277 41 R C 0.984 177.285 176.300 0.001 0.000 0.977 41 R CA -0.626 55.474 56.100 -0.000 0.000 0.950 41 R CB 1.205 31.506 30.300 0.002 0.000 1.165 41 R HN 0.362 nan 8.270 nan 0.000 0.474 42 E N 0.785 120.986 120.200 0.002 0.000 2.046 42 E HA -0.077 4.275 4.350 0.003 0.000 0.190 42 E C -0.073 176.529 176.600 0.004 0.000 0.982 42 E CA 1.172 57.573 56.400 0.002 0.000 0.800 42 E CB 0.351 30.052 29.700 0.002 0.000 0.756 42 E HN 0.648 nan 8.360 nan 0.000 0.449 43 T N -1.544 113.012 114.554 0.005 0.000 2.895 43 T HA 0.358 4.710 4.350 0.003 0.000 0.283 43 T C -0.120 174.585 174.700 0.009 0.000 1.014 43 T CA -0.927 61.178 62.100 0.007 0.000 1.037 43 T CB 1.850 70.722 68.868 0.007 0.000 1.006 43 T HN 0.036 nan 8.240 nan 0.000 0.468 44 R N 1.144 121.651 120.500 0.011 0.000 2.486 44 R HA 0.171 4.513 4.340 0.003 0.000 0.303 44 R C -0.871 175.439 176.300 0.015 0.000 0.958 44 R CA -0.333 55.775 56.100 0.013 0.000 1.077 44 R CB -0.245 30.064 30.300 0.015 0.000 0.921 44 R HN 0.568 nan 8.270 nan 0.000 0.406 45 L N 6.354 127.586 121.223 0.016 0.000 2.294 45 L HA 0.339 4.681 4.340 0.003 0.000 0.283 45 L C -1.220 175.664 176.870 0.024 0.000 1.015 45 L CA -0.483 54.368 54.840 0.018 0.000 0.831 45 L CB 1.775 43.843 42.059 0.014 0.000 1.217 45 L HN 0.331 nan 8.230 nan 0.000 0.420 46 V N 6.329 126.260 119.914 0.028 0.000 2.439 46 V HA 0.452 4.574 4.120 0.003 0.000 0.282 46 V C 0.090 176.208 176.094 0.040 0.000 1.039 46 V CA -0.539 61.782 62.300 0.036 0.000 0.913 46 V CB 1.562 33.408 31.823 0.038 0.000 0.983 46 V HN 0.592 nan 8.190 nan 0.000 0.460 47 L N 4.137 125.388 121.223 0.048 0.000 2.307 47 L HA 0.604 4.945 4.340 0.003 0.000 0.284 47 L C 0.042 176.946 176.870 0.055 0.000 1.023 47 L CA -0.344 54.527 54.840 0.052 0.000 0.810 47 L CB 1.654 43.749 42.059 0.060 0.000 1.231 47 L HN 0.620 nan 8.230 nan 0.000 0.423 48 E N 2.136 122.367 120.200 0.052 0.000 2.156 48 E HA 0.326 4.678 4.350 0.003 0.000 0.279 48 E C -1.007 175.614 176.600 0.035 0.000 0.965 48 E CA -0.813 55.615 56.400 0.047 0.000 0.789 48 E CB 1.793 31.533 29.700 0.065 0.000 1.098 48 E HN 0.348 nan 8.360 nan 0.000 0.397 49 V N 4.441 124.368 119.914 0.022 0.000 2.485 49 V HA 0.033 4.155 4.120 0.003 0.000 0.287 49 V C 0.942 177.041 176.094 0.008 0.000 1.022 49 V CA 0.840 63.158 62.300 0.030 0.000 1.067 49 V CB 0.596 32.440 31.823 0.035 0.000 0.967 49 V HN 0.879 nan 8.190 nan 0.000 0.479 50 A N 4.488 127.324 122.820 0.026 0.000 1.963 50 A HA 0.294 4.616 4.320 0.003 0.000 0.207 50 A C 0.740 178.329 177.584 0.009 0.000 1.243 50 A CA 0.338 52.379 52.037 0.007 0.000 0.728 50 A CB 0.298 19.305 19.000 0.012 0.000 0.895 50 A HN 0.780 nan 8.150 nan 0.000 0.467 51 Q N -0.973 118.860 119.800 0.054 0.000 2.377 51 Q HA 0.366 4.708 4.340 0.003 0.000 0.279 51 Q C -1.659 174.459 176.000 0.196 0.000 1.049 51 Q CA -0.511 55.332 55.803 0.068 0.000 0.825 51 Q CB 1.752 30.518 28.738 0.046 0.000 1.401 51 Q HN 0.602 nan 8.270 nan 0.000 0.404 52 H N 2.219 121.283 119.070 -0.011 0.000 2.705 52 H HA 0.203 4.760 4.556 0.002 0.000 0.291 52 H C 0.535 175.865 175.328 0.003 0.000 1.085 52 H CA -0.247 55.798 56.048 -0.005 0.000 1.357 52 H CB 0.975 30.728 29.762 -0.015 0.000 1.419 52 H HN 0.460 nan 8.280 nan 0.000 0.462 53 L N 2.998 124.279 121.223 0.098 0.000 2.492 53 L HA 0.133 4.475 4.340 0.003 0.000 0.223 53 L C 1.217 178.113 176.870 0.044 0.000 1.132 53 L CA 0.427 55.302 54.840 0.058 0.000 0.850 53 L CB -0.128 41.955 42.059 0.040 0.000 0.966 53 L HN 0.891 nan 8.230 nan 0.000 0.454 54 G N 0.377 109.203 108.800 0.043 0.000 2.707 54 G HA2 -0.183 3.779 3.960 0.003 0.000 0.686 54 G HA3 -0.183 3.779 3.960 0.003 0.000 0.686 54 G C 0.010 174.917 174.900 0.011 0.000 1.315 54 G CA -0.410 44.706 45.100 0.027 0.000 0.832 54 G HN 0.370 nan 8.290 nan 0.000 0.573 55 E N -0.948 119.257 120.200 0.008 0.000 2.389 55 E HA -0.210 4.142 4.350 0.003 0.000 0.243 55 E C 0.973 177.574 176.600 0.003 0.000 1.154 55 E CA 0.997 57.400 56.400 0.005 0.000 0.723 55 E CB -1.641 28.062 29.700 0.006 0.000 1.261 55 E HN 2.018 nan 8.360 nan 0.000 0.390 56 S N -1.863 113.833 115.700 -0.006 0.000 3.445 56 S HA -0.200 4.272 4.470 0.003 0.000 0.319 56 S C 0.120 174.735 174.600 0.024 0.000 1.209 56 S CA 1.553 59.751 58.200 -0.002 0.000 0.934 56 S CB -0.870 62.344 63.200 0.024 0.000 0.999 56 S HN 0.479 nan 8.310 nan 0.000 0.582 57 T N 1.465 116.020 114.554 0.002 0.000 2.807 57 T HA 0.623 4.975 4.350 0.003 0.000 0.279 57 T C 0.193 174.899 174.700 0.010 0.000 0.993 57 T CA -0.346 61.772 62.100 0.031 0.000 0.970 57 T CB 1.839 70.720 68.868 0.022 0.000 0.950 57 T HN 0.488 nan 8.240 nan 0.000 0.441 58 V N 1.400 121.349 119.914 0.058 0.000 2.667 58 V HA 0.756 4.877 4.120 0.003 0.000 0.308 58 V C -0.220 175.923 176.094 0.082 0.000 1.048 58 V CA -1.367 60.966 62.300 0.055 0.000 0.928 58 V CB 1.628 33.473 31.823 0.036 0.000 1.004 58 V HN 0.842 nan 8.190 nan 0.000 0.444 59 R N 2.351 122.898 120.500 0.079 0.000 2.346 59 R HA 0.705 5.047 4.340 0.003 0.000 0.311 59 R C -0.092 176.244 176.300 0.060 0.000 0.983 59 R CA 0.307 56.443 56.100 0.060 0.000 0.880 59 R CB 1.394 31.722 30.300 0.046 0.000 1.100 59 R HN 1.172 nan 8.270 nan 0.000 0.453 60 T N 2.171 116.756 114.554 0.053 0.000 2.916 60 T HA 0.512 4.864 4.350 0.003 0.000 0.292 60 T C 0.148 174.868 174.700 0.033 0.000 1.055 60 T CA -1.037 61.092 62.100 0.048 0.000 1.009 60 T CB 1.077 69.982 68.868 0.062 0.000 1.118 60 T HN 0.587 nan 8.240 nan 0.000 0.497 61 I N 0.442 121.030 120.570 0.030 0.000 2.359 61 I HA 0.810 4.982 4.170 0.003 0.000 0.294 61 I C 0.228 176.362 176.117 0.029 0.000 0.987 61 I CA -1.284 60.030 61.300 0.023 0.000 1.225 61 I CB 1.053 39.063 38.000 0.015 0.000 1.366 61 I HN 0.878 nan 8.210 nan 0.000 0.466 62 A N 6.792 129.626 122.820 0.023 0.000 2.371 62 A HA 0.485 4.807 4.320 0.003 0.000 0.257 62 A C 0.748 178.347 177.584 0.025 0.000 1.089 62 A CA -0.565 51.487 52.037 0.025 0.000 0.794 62 A CB 0.740 19.751 19.000 0.019 0.000 1.029 62 A HN 0.902 nan 8.150 nan 0.000 0.488 63 M N 0.469 120.086 119.600 0.029 0.000 2.441 63 M HA 0.180 4.662 4.480 0.003 0.000 0.244 63 M C -0.082 176.232 176.300 0.024 0.000 1.122 63 M CA 0.666 55.983 55.300 0.030 0.000 1.041 63 M CB -0.754 31.867 32.600 0.036 0.000 1.438 63 M HN 0.798 nan 8.290 nan 0.000 0.484 64 D N -1.177 119.235 120.400 0.020 0.000 2.752 64 D HA 0.467 5.109 4.640 0.003 0.000 0.313 64 D C -0.478 175.830 176.300 0.013 0.000 1.225 64 D CA -0.208 53.802 54.000 0.017 0.000 0.976 64 D CB 1.353 42.163 40.800 0.017 0.000 1.443 64 D HN 0.102 nan 8.370 nan 0.000 0.515 65 G N -0.910 107.897 108.800 0.011 0.000 2.491 65 G HA2 0.319 4.281 3.960 0.003 0.000 0.238 65 G HA3 0.319 4.281 3.960 0.003 0.000 0.238 65 G C 0.824 175.728 174.900 0.007 0.000 1.277 65 G CA 0.549 45.654 45.100 0.008 0.000 0.851 65 G HN 0.396 nan 8.290 nan 0.000 0.573 66 T N -1.339 113.218 114.554 0.005 0.000 3.069 66 T HA 0.132 4.484 4.350 0.003 0.000 0.252 66 T C 0.817 175.518 174.700 0.002 0.000 1.053 66 T CA 0.075 62.178 62.100 0.004 0.000 0.964 66 T CB 0.031 68.901 68.868 0.004 0.000 1.005 66 T HN 0.662 nan 8.240 nan 0.000 0.532 67 E N 2.129 122.330 120.200 0.002 0.000 2.442 67 E HA 0.225 4.576 4.350 0.003 0.000 0.262 67 E C 1.210 177.810 176.600 -0.001 0.000 1.004 67 E CA 0.832 57.232 56.400 0.000 0.000 0.928 67 E CB -0.057 29.643 29.700 0.001 0.000 0.937 67 E HN 0.487 nan 8.360 nan 0.000 0.446 68 G N 2.647 111.445 108.800 -0.002 0.000 2.205 68 G HA2 -0.277 3.685 3.960 0.003 0.000 0.261 68 G HA3 -0.277 3.685 3.960 0.003 0.000 0.261 68 G C 0.326 175.222 174.900 -0.005 0.000 0.980 68 G CA 0.331 45.429 45.100 -0.003 0.000 0.632 68 G HN 0.482 nan 8.290 nan 0.000 0.533 69 L N 0.566 121.785 121.223 -0.005 0.000 2.417 69 L HA 0.605 4.947 4.340 0.003 0.000 0.268 69 L C 0.481 177.344 176.870 -0.011 0.000 1.158 69 L CA -0.696 54.139 54.840 -0.008 0.000 0.819 69 L CB 1.437 43.492 42.059 -0.007 0.000 1.112 69 L HN -0.025 nan 8.230 nan 0.000 0.458 70 V N 2.449 122.354 119.914 -0.015 0.000 2.656 70 V HA 0.358 4.480 4.120 0.003 0.000 0.307 70 V C -0.037 176.043 176.094 -0.024 0.000 1.051 70 V CA -0.897 61.393 62.300 -0.018 0.000 0.893 70 V CB 1.997 33.810 31.823 -0.017 0.000 0.999 70 V HN 0.659 nan 8.190 nan 0.000 0.426 71 R N 2.568 123.054 120.500 -0.023 0.000 2.458 71 R HA 0.416 4.758 4.340 0.003 0.000 0.303 71 R C 1.246 177.525 176.300 -0.035 0.000 1.013 71 R CA 1.058 57.141 56.100 -0.029 0.000 1.026 71 R CB 0.070 30.355 30.300 -0.024 0.000 0.948 71 R HN 1.193 nan 8.270 nan 0.000 0.417 72 G N 1.961 110.732 108.800 -0.048 0.000 2.253 72 G HA2 -0.281 3.681 3.960 0.003 0.000 0.209 72 G HA3 -0.281 3.681 3.960 0.003 0.000 0.209 72 G C 0.181 175.045 174.900 -0.061 0.000 0.997 72 G CA -0.310 44.757 45.100 -0.055 0.000 0.640 72 G HN 0.577 nan 8.290 nan 0.000 0.496 73 Q N 1.359 121.128 119.800 -0.053 0.000 2.349 73 Q HA 0.420 4.762 4.340 0.003 0.000 0.287 73 Q C 0.348 176.306 176.000 -0.071 0.000 1.044 73 Q CA 0.420 56.193 55.803 -0.050 0.000 0.918 73 Q CB 0.306 29.022 28.738 -0.037 0.000 1.242 73 Q HN 0.467 nan 8.270 nan 0.000 0.405 74 K N 1.544 121.905 120.400 -0.065 0.000 2.185 74 K HA 0.433 4.755 4.320 0.003 0.000 0.271 74 K C -1.152 175.406 176.600 -0.070 0.000 1.013 74 K CA -0.536 55.702 56.287 -0.083 0.000 0.943 74 K CB 1.323 33.786 32.500 -0.062 0.000 0.998 74 K HN 0.302 nan 8.250 nan 0.000 0.468 75 V N 3.631 123.487 119.914 -0.096 0.000 2.686 75 V HA 0.324 4.446 4.120 0.003 0.000 0.306 75 V C -0.804 175.310 176.094 0.035 0.000 1.065 75 V CA -0.906 61.374 62.300 -0.033 0.000 0.894 75 V CB 1.536 33.333 31.823 -0.044 0.000 1.004 75 V HN 0.580 nan 8.190 nan 0.000 0.424 76 L N 3.002 124.276 121.223 0.085 0.000 2.307 76 L HA 0.546 4.888 4.340 0.003 0.000 0.284 76 L C -0.230 176.733 176.870 0.156 0.000 1.023 76 L CA -0.557 54.357 54.840 0.124 0.000 0.810 76 L CB 1.713 43.809 42.059 0.062 0.000 1.231 76 L HN 0.610 nan 8.230 nan 0.000 0.423 77 D N 0.932 121.443 120.400 0.185 0.000 2.383 77 D HA 0.023 4.665 4.640 0.003 0.000 0.252 77 D C 1.091 177.409 176.300 0.030 0.000 1.166 77 D CA 0.026 54.069 54.000 0.071 0.000 0.879 77 D CB 1.405 42.186 40.800 -0.032 0.000 1.164 77 D HN 0.541 nan 8.370 nan 0.000 0.462 78 S N 2.675 118.383 115.700 0.013 0.000 2.461 78 S HA 0.135 4.607 4.470 0.003 0.000 0.228 78 S C 1.701 176.289 174.600 -0.018 0.000 1.005 78 S CA 0.584 58.782 58.200 -0.004 0.000 0.942 78 S CB -0.046 63.149 63.200 -0.007 0.000 0.776 78 S HN 0.946 nan 8.310 nan 0.000 0.514 79 G N 0.229 109.015 108.800 -0.024 0.000 2.176 79 G HA2 0.183 4.145 3.960 0.003 0.000 0.232 79 G HA3 0.183 4.145 3.960 0.003 0.000 0.232 79 G C 0.099 174.983 174.900 -0.026 0.000 0.986 79 G CA -0.243 44.839 45.100 -0.030 0.000 0.643 79 G HN 1.543 nan 8.290 nan 0.000 0.522 80 A N -0.905 121.903 122.820 -0.020 0.000 2.599 80 A HA 0.908 5.229 4.320 0.003 0.000 0.290 80 A C -3.048 174.539 177.584 0.005 0.000 1.101 80 A CA -0.717 51.315 52.037 -0.009 0.000 0.674 80 A CB 0.961 19.957 19.000 -0.007 0.000 1.277 80 A HN 0.097 nan 8.150 nan 0.000 0.419 81 P HA 0.311 nan 4.420 nan 0.000 0.272 81 P C -0.336 177.012 177.300 0.080 0.000 1.254 81 P CA -0.232 62.909 63.100 0.068 0.000 0.795 81 P CB 0.190 31.966 31.700 0.127 0.000 1.022 82 I N 0.989 121.626 120.570 0.112 0.000 2.828 82 I HA -0.119 4.052 4.170 0.003 0.000 0.292 82 I C 1.087 177.251 176.117 0.078 0.000 1.206 82 I CA 1.034 62.385 61.300 0.084 0.000 1.420 82 I CB -0.315 37.736 38.000 0.085 0.000 1.368 82 I HN 0.125 nan 8.210 nan 0.000 0.556 83 R N 7.434 127.976 120.500 0.071 0.000 2.445 83 R HA 0.698 5.040 4.340 0.003 0.000 0.308 83 R C -0.620 175.798 176.300 0.196 0.000 0.961 83 R CA -0.781 55.385 56.100 0.109 0.000 0.862 83 R CB 1.874 32.219 30.300 0.074 0.000 1.144 83 R HN 0.589 nan 8.270 nan 0.000 0.447 84 I N -0.975 119.713 120.570 0.196 0.000 2.846 84 I HA 0.638 4.809 4.170 0.003 0.000 0.307 84 I C -2.644 173.455 176.117 -0.030 0.000 1.053 84 I CA -3.418 57.972 61.300 0.150 0.000 1.050 84 I CB 2.226 40.239 38.000 0.021 0.000 1.239 84 I HN 0.301 nan 8.210 nan 0.000 0.439 85 P HA 0.196 nan 4.420 nan 0.000 0.271 85 P C -0.689 176.319 177.300 -0.485 0.000 1.226 85 P CA -0.153 62.520 63.100 -0.711 0.000 0.765 85 P CB 0.902 32.270 31.700 -0.553 0.000 0.835 86 V N 0.793 120.350 119.914 -0.596 0.000 3.001 86 V HA 1.031 5.153 4.120 0.003 0.000 0.314 86 V C 0.107 175.591 176.094 -1.017 0.000 1.099 86 V CA -0.238 61.635 62.300 -0.713 0.000 0.989 86 V CB 1.415 32.862 31.823 -0.627 0.000 1.040 86 V HN 0.915 nan 8.190 nan 0.000 0.434 87 G N 2.701 110.766 108.800 -1.225 0.000 2.353 87 G HA2 0.101 4.063 3.960 0.003 0.000 0.615 87 G HA3 0.101 4.063 3.960 0.003 0.000 0.615 87 G C -2.460 172.243 174.900 -0.327 0.000 1.280 87 G CA -0.048 44.495 45.100 -0.928 0.000 1.000 87 G HN 0.711 nan 8.290 nan 0.000 0.516 88 P HA -0.004 nan 4.420 nan 0.000 0.222 88 P C 1.172 178.449 177.300 -0.038 0.000 1.147 88 P CA 1.365 64.484 63.100 0.031 0.000 0.790 88 P CB 0.099 31.834 31.700 0.059 0.000 0.780 89 E N -0.056 120.088 120.200 -0.092 0.000 2.338 89 E HA -0.096 4.256 4.350 0.003 0.000 0.197 89 E C 1.863 178.414 176.600 -0.083 0.000 1.007 89 E CA 1.572 57.919 56.400 -0.089 0.000 0.849 89 E CB -1.296 28.331 29.700 -0.122 0.000 0.774 89 E HN 0.455 nan 8.360 nan 0.000 0.506 90 T N -1.145 113.351 114.554 -0.097 0.000 3.035 90 T HA 0.004 4.356 4.350 0.003 0.000 0.268 90 T C 1.209 175.922 174.700 0.021 0.000 1.109 90 T CA 0.008 62.076 62.100 -0.054 0.000 1.119 90 T CB -0.268 68.545 68.868 -0.091 0.000 0.900 90 T HN -0.020 nan 8.240 nan 0.000 0.503 91 L N 2.014 123.250 121.223 0.021 0.000 2.462 91 L HA 0.428 4.770 4.340 0.003 0.000 0.272 91 L C 1.663 178.546 176.870 0.023 0.000 1.166 91 L CA 0.793 55.634 54.840 0.002 0.000 0.880 91 L CB 0.122 42.118 42.059 -0.104 0.000 1.142 91 L HN 0.557 nan 8.230 nan 0.000 0.473 92 G N 2.018 110.852 108.800 0.056 0.000 2.184 92 G HA2 -0.225 3.737 3.960 0.003 0.000 0.264 92 G HA3 -0.225 3.737 3.960 0.003 0.000 0.264 92 G C 0.346 175.315 174.900 0.115 0.000 0.975 92 G CA -0.310 44.839 45.100 0.082 0.000 0.642 92 G HN 0.465 nan 8.290 nan 0.000 0.536 93 R N -0.125 120.425 120.500 0.084 0.000 2.598 93 R HA 0.721 5.063 4.340 0.003 0.000 0.279 93 R C 0.497 176.831 176.300 0.057 0.000 0.984 93 R CA -0.971 55.166 56.100 0.062 0.000 0.999 93 R CB 0.778 31.089 30.300 0.020 0.000 1.114 93 R HN 0.325 nan 8.270 nan 0.000 0.493 94 I N 2.269 122.835 120.570 -0.006 0.000 2.354 94 I HA 0.401 4.573 4.170 0.003 0.000 0.292 94 I C 0.338 176.458 176.117 0.005 0.000 0.989 94 I CA -0.342 60.953 61.300 -0.007 0.000 1.188 94 I CB 1.241 39.153 38.000 -0.147 0.000 1.342 94 I HN 0.212 nan 8.210 nan 0.000 0.457 95 M N 5.278 124.903 119.600 0.043 0.000 2.664 95 M HA 0.376 4.857 4.480 0.003 0.000 0.314 95 M C -0.406 175.925 176.300 0.052 0.000 1.200 95 M CA -0.762 54.554 55.300 0.028 0.000 0.916 95 M CB 2.316 34.922 32.600 0.009 0.000 1.717 95 M HN 0.665 nan 8.290 nan 0.000 0.470 96 N N 0.308 119.031 118.700 0.038 0.000 2.604 96 N HA 0.319 5.061 4.740 0.003 0.000 0.297 96 N C 0.563 176.092 175.510 0.033 0.000 1.266 96 N CA -0.754 52.324 53.050 0.046 0.000 0.961 96 N CB -0.196 38.314 38.487 0.039 0.000 1.166 96 N HN 0.420 nan 8.380 nan 0.000 0.601 97 V N -0.783 119.151 119.914 0.033 0.000 2.317 97 V HA -0.240 3.881 4.120 0.003 0.000 0.251 97 V C 1.819 177.926 176.094 0.022 0.000 1.065 97 V CA 2.280 64.593 62.300 0.023 0.000 1.049 97 V CB -1.360 30.480 31.823 0.029 0.000 0.651 97 V HN 0.784 nan 8.190 nan 0.000 0.450 98 I N -1.521 119.067 120.570 0.031 0.000 3.855 98 I HA 0.660 4.832 4.170 0.003 0.000 0.327 98 I C 1.292 177.439 176.117 0.049 0.000 1.359 98 I CA 0.473 61.797 61.300 0.039 0.000 1.142 98 I CB -0.255 37.770 38.000 0.040 0.000 1.041 98 I HN 0.356 nan 8.210 nan 0.000 0.403 99 G N 1.231 110.053 108.800 0.036 0.000 2.143 99 G HA2 -0.270 3.691 3.960 0.003 0.000 0.248 99 G HA3 -0.270 3.691 3.960 0.003 0.000 0.248 99 G C -0.131 174.792 174.900 0.039 0.000 0.991 99 G CA 0.089 45.208 45.100 0.033 0.000 0.689 99 G HN 0.669 nan 8.290 nan 0.000 0.522 100 E N 1.498 121.720 120.200 0.036 0.000 2.331 100 E HA 0.358 4.709 4.350 0.003 0.000 0.272 100 E C -2.037 174.572 176.600 0.015 0.000 1.036 100 E CA -1.767 54.651 56.400 0.031 0.000 0.864 100 E CB 1.243 30.960 29.700 0.027 0.000 1.035 100 E HN 0.203 nan 8.360 nan 0.000 0.408 101 P HA 0.008 nan 4.420 nan 0.000 0.271 101 P C 0.044 177.337 177.300 -0.013 0.000 1.216 101 P CA 0.454 63.551 63.100 -0.005 0.000 0.776 101 P CB 0.367 32.064 31.700 -0.004 0.000 0.881 102 I N -0.869 119.682 120.570 -0.032 0.000 3.817 102 I HA 0.258 4.429 4.170 0.003 0.000 0.325 102 I C 0.073 176.129 176.117 -0.102 0.000 1.550 102 I CA -0.329 60.940 61.300 -0.051 0.000 1.100 102 I CB 0.128 38.103 38.000 -0.043 0.000 1.216 102 I HN 0.024 nan 8.210 nan 0.000 0.481 103 D N 0.332 120.673 120.400 -0.099 0.000 2.398 103 D HA 0.037 4.679 4.640 0.003 0.000 0.210 103 D C 0.393 176.670 176.300 -0.037 0.000 1.094 103 D CA -0.119 53.804 54.000 -0.129 0.000 0.839 103 D CB -0.082 40.633 40.800 -0.143 0.000 0.963 103 D HN 0.469 nan 8.370 nan 0.000 0.506 104 E N -0.278 119.909 120.200 -0.022 0.000 2.513 104 E HA -0.245 4.107 4.350 0.003 0.000 0.257 104 E C 0.136 176.745 176.600 0.014 0.000 1.098 104 E CA 0.251 56.651 56.400 0.000 0.000 0.752 104 E CB -1.147 28.557 29.700 0.006 0.000 1.324 104 E HN 0.397 nan 8.360 nan 0.000 0.403 105 R N -0.235 120.273 120.500 0.014 0.000 2.596 105 R HA 0.298 4.640 4.340 0.003 0.000 0.369 105 R C 0.756 177.065 176.300 0.015 0.000 1.042 105 R CA 0.247 56.360 56.100 0.022 0.000 1.120 105 R CB 1.292 31.613 30.300 0.034 0.000 1.353 105 R HN 0.310 nan 8.270 nan 0.000 0.564 106 G N 2.055 110.861 108.800 0.011 0.000 2.725 106 G HA2 -0.225 3.737 3.960 0.003 0.000 0.220 106 G HA3 -0.225 3.737 3.960 0.003 0.000 0.220 106 G C -2.504 172.401 174.900 0.009 0.000 1.357 106 G CA -1.246 43.860 45.100 0.011 0.000 0.866 106 G HN 0.027 nan 8.290 nan 0.000 0.548 107 P HA 0.352 nan 4.420 nan 0.000 0.266 107 P C 0.129 177.430 177.300 0.000 0.000 1.193 107 P CA 0.023 63.132 63.100 0.015 0.000 0.770 107 P CB 0.292 32.005 31.700 0.022 0.000 0.836 108 I N 2.743 123.308 120.570 -0.009 0.000 2.291 108 I HA 0.158 4.330 4.170 0.003 0.000 0.290 108 I C 0.785 176.862 176.117 -0.067 0.000 1.050 108 I CA -0.205 61.064 61.300 -0.051 0.000 1.245 108 I CB 0.374 38.323 38.000 -0.085 0.000 1.405 108 I HN 0.110 nan 8.210 nan 0.000 0.478 109 K N 5.316 125.682 120.400 -0.056 0.000 2.758 109 K HA 0.148 4.470 4.320 0.003 0.000 0.250 109 K C 0.287 176.837 176.600 -0.083 0.000 1.268 109 K CA -0.284 55.978 56.287 -0.040 0.000 1.228 109 K CB -0.142 32.350 32.500 -0.014 0.000 1.715 109 K HN 0.639 nan 8.250 nan 0.000 0.334 110 T N -2.129 112.321 114.554 -0.173 0.000 2.899 110 T HA 0.175 4.527 4.350 0.003 0.000 0.295 110 T C 0.997 175.610 174.700 -0.145 0.000 1.033 110 T CA -0.705 61.247 62.100 -0.246 0.000 1.084 110 T CB 1.451 70.022 68.868 -0.495 0.000 0.979 110 T HN 0.090 nan 8.240 nan 0.000 0.532 111 K N 0.683 121.018 120.400 -0.109 0.000 2.296 111 K HA 0.055 4.377 4.320 0.003 0.000 0.200 111 K C 1.131 177.737 176.600 0.010 0.000 1.048 111 K CA 0.736 57.011 56.287 -0.020 0.000 0.966 111 K CB 0.082 32.580 32.500 -0.003 0.000 0.754 111 K HN 0.773 nan 8.250 nan 0.000 0.466 112 Q N -0.527 119.209 119.800 -0.107 0.000 2.416 112 Q HA 0.348 4.689 4.340 0.003 0.000 0.281 112 Q C -1.151 174.714 176.000 -0.225 0.000 1.067 112 Q CA -0.690 55.096 55.803 -0.029 0.000 0.809 112 Q CB 1.170 29.904 28.738 -0.006 0.000 1.418 112 Q HN -0.108 nan 8.270 nan 0.000 0.411 113 F N 0.030 119.932 119.950 -0.080 0.000 2.598 113 F HA 0.885 5.413 4.527 0.003 0.000 0.327 113 F C -0.216 175.551 175.800 -0.056 0.000 1.057 113 F CA -0.566 57.386 58.000 -0.081 0.000 0.957 113 F CB 2.474 41.443 39.000 -0.052 0.000 1.278 113 F HN 0.844 nan 8.300 nan 0.000 0.484 114 A N 0.701 123.592 122.820 0.119 0.000 2.515 114 A HA 0.830 5.152 4.320 0.003 0.000 0.298 114 A C -1.216 176.410 177.584 0.070 0.000 1.059 114 A CA -0.720 51.360 52.037 0.072 0.000 0.698 114 A CB 1.010 20.024 19.000 0.025 0.000 1.289 114 A HN 1.036 nan 8.150 nan 0.000 0.404 115 A N 1.185 124.043 122.820 0.063 0.000 2.440 115 A HA 0.463 4.784 4.320 0.003 0.000 0.251 115 A C 1.125 178.726 177.584 0.028 0.000 1.089 115 A CA 0.196 52.271 52.037 0.064 0.000 0.779 115 A CB -0.392 18.654 19.000 0.078 0.000 1.022 115 A HN 1.706 nan 8.150 nan 0.000 0.492 116 I N -0.513 120.056 120.570 -0.001 0.000 2.830 116 I HA 0.009 4.181 4.170 0.003 0.000 0.263 116 I C 0.132 176.098 176.117 -0.251 0.000 1.230 116 I CA 0.537 61.761 61.300 -0.126 0.000 1.480 116 I CB -0.338 37.563 38.000 -0.165 0.000 1.095 116 I HN 0.504 nan 8.210 nan 0.000 0.455 117 H N 2.555 121.628 119.070 0.005 0.000 2.519 117 H HA 0.772 5.330 4.556 0.003 0.000 0.316 117 H C -0.442 174.885 175.328 -0.001 0.000 1.065 117 H CA -0.160 55.889 56.048 0.002 0.000 1.264 117 H CB 1.543 31.309 29.762 0.007 0.000 1.413 117 H HN 0.416 nan 8.280 nan 0.000 0.465 118 A N 3.274 126.143 122.820 0.082 0.000 2.587 118 A HA 0.371 4.693 4.320 0.003 0.000 0.293 118 A C -0.432 177.173 177.584 0.036 0.000 1.087 118 A CA -0.936 51.129 52.037 0.047 0.000 0.692 118 A CB 1.710 20.720 19.000 0.017 0.000 1.291 118 A HN 0.529 nan 8.150 nan 0.000 0.407 119 E N 0.536 120.753 120.200 0.027 0.000 2.390 119 E HA 0.462 4.814 4.350 0.003 0.000 0.261 119 E C 0.415 177.023 176.600 0.013 0.000 1.076 119 E CA 0.222 56.635 56.400 0.022 0.000 0.905 119 E CB 1.262 30.974 29.700 0.020 0.000 0.984 119 E HN 0.803 nan 8.360 nan 0.000 0.427 120 A N 3.547 126.375 122.820 0.014 0.000 2.340 120 A HA 0.450 4.772 4.320 0.003 0.000 0.268 120 A C -2.096 175.498 177.584 0.016 0.000 1.100 120 A CA -1.279 50.764 52.037 0.009 0.000 0.803 120 A CB -0.258 18.751 19.000 0.015 0.000 1.043 120 A HN 0.323 nan 8.150 nan 0.000 0.488 121 P HA 0.079 nan 4.420 nan 0.000 0.266 121 P C -0.165 177.155 177.300 0.033 0.000 1.193 121 P CA 0.162 63.269 63.100 0.011 0.000 0.770 121 P CB 0.421 32.119 31.700 -0.003 0.000 0.836 122 E N 1.417 121.640 120.200 0.038 0.000 2.371 122 E HA 0.016 4.367 4.350 0.003 0.000 0.257 122 E C 0.829 177.489 176.600 0.100 0.000 1.134 122 E CA -0.302 56.143 56.400 0.076 0.000 0.919 122 E CB 0.144 29.885 29.700 0.068 0.000 1.025 122 E HN 0.403 nan 8.360 nan 0.000 0.438 123 F N 2.110 122.061 119.950 0.001 0.000 2.120 123 F HA -0.249 4.280 4.527 0.003 0.000 0.300 123 F C 1.853 177.653 175.800 -0.001 0.000 1.095 123 F CA 1.944 59.945 58.000 0.001 0.000 1.249 123 F CB -0.255 38.746 39.000 0.001 0.000 0.995 123 F HN 0.269 nan 8.300 nan 0.000 0.480 124 V N -2.143 117.747 119.914 -0.040 0.000 3.241 124 V HA -0.132 3.990 4.120 0.003 0.000 0.269 124 V C 1.447 177.460 176.094 -0.135 0.000 1.151 124 V CA 1.799 64.023 62.300 -0.127 0.000 1.158 124 V CB -1.041 30.783 31.823 0.001 0.000 0.764 124 V HN 0.454 nan 8.190 nan 0.000 0.508 125 E N -0.032 120.105 120.200 -0.105 0.000 2.479 125 E HA 0.208 4.560 4.350 0.003 0.000 0.193 125 E C 0.583 177.117 176.600 -0.109 0.000 1.049 125 E CA -0.259 56.092 56.400 -0.081 0.000 0.870 125 E CB 0.099 29.775 29.700 -0.040 0.000 0.944 125 E HN 0.486 nan 8.360 nan 0.000 0.492 126 M N 0.841 120.332 119.600 -0.182 0.000 2.242 126 M HA 0.123 4.605 4.480 0.003 0.000 0.344 126 M C 0.412 176.623 176.300 -0.147 0.000 1.140 126 M CA 0.149 55.347 55.300 -0.169 0.000 1.160 126 M CB 1.125 33.583 32.600 -0.236 0.000 1.491 126 M HN -0.149 nan 8.290 nan 0.000 0.459 127 S N 1.117 116.759 115.700 -0.098 0.000 2.537 127 S HA 0.604 5.076 4.470 0.003 0.000 0.301 127 S C 0.355 174.917 174.600 -0.063 0.000 1.092 127 S CA -0.808 57.347 58.200 -0.075 0.000 1.048 127 S CB 1.173 64.342 63.200 -0.051 0.000 1.053 127 S HN 0.585 nan 8.310 nan 0.000 0.501 128 V N 0.486 120.368 119.914 -0.053 0.000 3.380 128 V HA 0.512 4.633 4.120 0.003 0.000 0.307 128 V C 0.268 176.350 176.094 -0.020 0.000 1.434 128 V CA -0.331 61.948 62.300 -0.035 0.000 1.075 128 V CB -0.258 31.544 31.823 -0.036 0.000 0.954 128 V HN 0.705 nan 8.190 nan 0.000 0.444 129 E N 3.257 123.445 120.200 -0.020 0.000 2.360 129 E HA 0.378 4.729 4.350 0.003 0.000 0.269 129 E C -0.432 176.166 176.600 -0.003 0.000 1.022 129 E CA 0.337 56.731 56.400 -0.011 0.000 0.887 129 E CB 1.099 30.792 29.700 -0.011 0.000 0.990 129 E HN 0.868 nan 8.360 nan 0.000 0.426 130 Q N 1.222 121.025 119.800 0.005 0.000 2.334 130 Q HA 0.381 4.723 4.340 0.003 0.000 0.249 130 Q C -0.921 175.092 176.000 0.021 0.000 0.909 130 Q CA -0.705 55.106 55.803 0.014 0.000 0.823 130 Q CB 1.432 30.180 28.738 0.017 0.000 1.353 130 Q HN 0.468 nan 8.270 nan 0.000 0.433 131 E N 2.745 122.962 120.200 0.028 0.000 2.288 131 E HA 0.533 4.885 4.350 0.003 0.000 0.268 131 E C -0.863 175.768 176.600 0.052 0.000 0.885 131 E CA -1.136 55.286 56.400 0.036 0.000 0.767 131 E CB 2.263 31.981 29.700 0.031 0.000 1.220 131 E HN 0.658 nan 8.360 nan 0.000 0.427 132 I N 2.550 123.156 120.570 0.061 0.000 2.845 132 I HA -0.095 4.077 4.170 0.003 0.000 0.296 132 I C -0.741 175.423 176.117 0.078 0.000 1.216 132 I CA -0.097 61.250 61.300 0.078 0.000 1.438 132 I CB 0.377 38.432 38.000 0.092 0.000 1.342 132 I HN 0.527 nan 8.210 nan 0.000 0.577 133 L N 9.347 130.628 121.223 0.097 0.000 2.295 133 L HA 0.398 4.740 4.340 0.003 0.000 0.281 133 L C -0.692 176.226 176.870 0.080 0.000 1.018 133 L CA -0.365 54.533 54.840 0.096 0.000 0.841 133 L CB 1.071 43.203 42.059 0.123 0.000 1.218 133 L HN 0.314 nan 8.230 nan 0.000 0.424 134 V N 4.542 124.489 119.914 0.055 0.000 2.572 134 V HA 0.171 4.293 4.120 0.003 0.000 0.291 134 V C 1.540 177.643 176.094 0.015 0.000 1.039 134 V CA 0.671 62.986 62.300 0.026 0.000 1.055 134 V CB 0.817 32.656 31.823 0.027 0.000 0.969 134 V HN 0.937 nan 8.190 nan 0.000 0.482 135 T N -0.048 114.489 114.554 -0.028 0.000 3.015 135 T HA 0.252 4.604 4.350 0.003 0.000 0.250 135 T C 1.472 176.149 174.700 -0.039 0.000 1.057 135 T CA 0.722 62.804 62.100 -0.031 0.000 1.066 135 T CB 0.392 69.204 68.868 -0.095 0.000 0.959 135 T HN 1.526 nan 8.240 nan 0.000 0.488 136 G N 1.637 110.417 108.800 -0.032 0.000 2.162 136 G HA2 -0.213 3.749 3.960 0.003 0.000 0.260 136 G HA3 -0.213 3.749 3.960 0.003 0.000 0.260 136 G C 0.012 174.900 174.900 -0.020 0.000 0.976 136 G CA 0.240 45.325 45.100 -0.024 0.000 0.655 136 G HN 0.667 nan 8.290 nan 0.000 0.533 137 I N 0.787 121.339 120.570 -0.029 0.000 2.307 137 I HA 0.242 4.413 4.170 0.003 0.000 0.289 137 I C 1.592 177.716 176.117 0.012 0.000 1.021 137 I CA -0.781 60.536 61.300 0.028 0.000 1.224 137 I CB 1.266 39.289 38.000 0.039 0.000 1.376 137 I HN -0.004 nan 8.210 nan 0.000 0.470 138 K N 3.597 124.014 120.400 0.028 0.000 2.020 138 K HA -0.196 4.126 4.320 0.003 0.000 0.212 138 K C 1.821 178.417 176.600 -0.007 0.000 1.050 138 K CA 1.435 57.740 56.287 0.029 0.000 0.929 138 K CB -0.113 32.402 32.500 0.026 0.000 0.714 138 K HN 0.556 nan 8.250 nan 0.000 0.443 139 V N 1.015 120.925 119.914 -0.007 0.000 2.427 139 V HA -0.182 3.940 4.120 0.003 0.000 0.248 139 V C 2.013 178.074 176.094 -0.055 0.000 1.051 139 V CA 1.411 63.678 62.300 -0.054 0.000 1.048 139 V CB 0.047 31.865 31.823 -0.008 0.000 0.666 139 V HN 0.126 nan 8.190 nan 0.000 0.456 140 V N 0.378 120.259 119.914 -0.055 0.000 2.244 140 V HA -0.178 3.944 4.120 0.003 0.000 0.244 140 V C 2.383 178.390 176.094 -0.145 0.000 1.042 140 V CA 2.399 64.610 62.300 -0.149 0.000 1.006 140 V CB -0.808 30.820 31.823 -0.325 0.000 0.641 140 V HN 0.544 nan 8.190 nan 0.000 0.446 141 D N -0.095 120.238 120.400 -0.113 0.000 2.123 141 D HA -0.166 4.476 4.640 0.003 0.000 0.196 141 D C 1.904 178.242 176.300 0.065 0.000 0.992 141 D CA 1.288 55.264 54.000 -0.039 0.000 0.833 141 D CB -0.307 40.466 40.800 -0.044 0.000 0.954 141 D HN 0.326 nan 8.370 nan 0.000 0.455 142 L N -0.108 121.115 121.223 0.001 0.000 2.023 142 L HA -0.036 4.306 4.340 0.003 0.000 0.205 142 L C 2.046 178.991 176.870 0.124 0.000 1.073 142 L CA 1.485 56.343 54.840 0.030 0.000 0.745 142 L CB -0.204 41.737 42.059 -0.197 0.000 0.900 142 L HN -0.002 nan 8.230 nan 0.000 0.435 143 L N -1.217 119.997 121.223 -0.016 0.000 2.357 143 L HA 0.307 4.649 4.340 0.003 0.000 0.211 143 L C 0.769 177.632 176.870 -0.012 0.000 1.075 143 L CA 0.491 55.306 54.840 -0.043 0.000 0.830 143 L CB -0.151 41.857 42.059 -0.086 0.000 0.996 143 L HN 0.256 nan 8.230 nan 0.000 0.467 144 A N 0.437 123.263 122.820 0.010 0.000 3.422 144 A HA 0.450 4.772 4.320 0.003 0.000 0.271 144 A C -2.671 174.942 177.584 0.048 0.000 1.104 144 A CA -0.833 51.233 52.037 0.047 0.000 0.899 144 A CB -0.168 18.885 19.000 0.088 0.000 1.309 144 A HN -0.154 nan 8.150 nan 0.000 0.580 145 P HA 0.167 nan 4.420 nan 0.000 0.272 145 P C -0.512 176.876 177.300 0.146 0.000 1.223 145 P CA 0.360 63.461 63.100 0.001 0.000 0.784 145 P CB 0.384 32.126 31.700 0.070 0.000 0.923 146 Y N 0.084 120.419 120.300 0.060 0.000 2.300 146 Y HA 0.453 5.005 4.550 0.003 0.000 0.328 146 Y C 1.084 177.005 175.900 0.034 0.000 1.270 146 Y CA -1.251 56.875 58.100 0.043 0.000 1.352 146 Y CB 0.820 39.302 38.460 0.037 0.000 1.286 146 Y HN 0.367 nan 8.280 nan 0.000 0.536 147 A N 2.299 125.235 122.820 0.194 0.000 2.365 147 A HA 0.444 4.766 4.320 0.003 0.000 0.318 147 A C -0.993 176.629 177.584 0.064 0.000 1.091 147 A CA -1.158 50.940 52.037 0.103 0.000 0.763 147 A CB 0.813 19.855 19.000 0.069 0.000 1.248 147 A HN 0.750 nan 8.150 nan 0.000 0.442 148 K N 0.884 121.314 120.400 0.050 0.000 2.412 148 K HA 0.372 4.693 4.320 0.003 0.000 0.281 148 K C 1.084 177.685 176.600 0.001 0.000 1.027 148 K CA 1.030 57.332 56.287 0.025 0.000 0.989 148 K CB 0.378 32.898 32.500 0.032 0.000 0.935 148 K HN 1.558 nan 8.250 nan 0.000 0.475 149 G N 1.976 110.761 108.800 -0.025 0.000 2.155 149 G HA2 -0.256 3.706 3.960 0.003 0.000 0.257 149 G HA3 -0.256 3.706 3.960 0.003 0.000 0.257 149 G C 0.438 175.312 174.900 -0.043 0.000 0.983 149 G CA 0.034 45.112 45.100 -0.036 0.000 0.676 149 G HN 0.864 nan 8.290 nan 0.000 0.528 150 G N -0.764 108.010 108.800 -0.045 0.000 2.502 150 G HA2 0.586 4.548 3.960 0.003 0.000 0.305 150 G HA3 0.586 4.548 3.960 0.003 0.000 0.305 150 G C -0.191 174.657 174.900 -0.087 0.000 1.190 150 G CA -0.752 44.322 45.100 -0.044 0.000 0.933 150 G HN 0.319 nan 8.290 nan 0.000 0.503 151 K N 0.480 120.836 120.400 -0.072 0.000 2.281 151 K HA 0.371 4.692 4.320 0.003 0.000 0.272 151 K C -0.783 175.741 176.600 -0.128 0.000 1.048 151 K CA -0.131 56.096 56.287 -0.100 0.000 0.898 151 K CB 1.463 33.933 32.500 -0.050 0.000 1.128 151 K HN 0.258 nan 8.250 nan 0.000 0.460 152 I N 1.452 121.885 120.570 -0.229 0.000 2.377 152 I HA 0.345 4.517 4.170 0.003 0.000 0.293 152 I C 0.468 176.425 176.117 -0.266 0.000 0.987 152 I CA -0.521 60.580 61.300 -0.331 0.000 1.185 152 I CB 2.048 39.624 38.000 -0.708 0.000 1.341 152 I HN 0.563 nan 8.210 nan 0.000 0.455 153 G N 6.476 115.157 108.800 -0.199 0.000 2.566 153 G HA2 0.723 4.685 3.960 0.003 0.000 0.311 153 G HA3 0.723 4.685 3.960 0.003 0.000 0.311 153 G C -1.048 173.736 174.900 -0.194 0.000 1.322 153 G CA -0.559 44.370 45.100 -0.284 0.000 0.969 153 G HN 0.459 nan 8.290 nan 0.000 0.490 154 L N 2.061 123.143 121.223 -0.235 0.000 2.301 154 L HA 0.443 4.784 4.340 0.003 0.000 0.278 154 L C -0.888 175.909 176.870 -0.121 0.000 1.022 154 L CA -0.595 54.218 54.840 -0.044 0.000 0.854 154 L CB 0.789 42.871 42.059 0.038 0.000 1.226 154 L HN 0.313 nan 8.230 nan 0.000 0.429 155 F N 1.358 121.302 119.950 -0.010 0.000 2.394 155 F HA 0.754 5.283 4.527 0.002 0.000 0.340 155 F C 1.017 176.818 175.800 0.002 0.000 1.105 155 F CA -0.262 57.711 58.000 -0.044 0.000 1.124 155 F CB 1.905 40.856 39.000 -0.082 0.000 1.145 155 F HN 0.445 nan 8.300 nan 0.000 0.505 156 G N 0.920 109.809 108.800 0.148 0.000 2.667 156 G HA2 0.488 4.450 3.960 0.003 0.000 0.294 156 G HA3 0.488 4.450 3.960 0.003 0.000 0.294 156 G C -0.680 174.211 174.900 -0.015 0.000 1.467 156 G CA -0.446 44.708 45.100 0.090 0.000 0.852 156 G HN 0.915 nan 8.290 nan 0.000 0.521 157 G N -0.472 108.300 108.800 -0.048 0.000 2.611 157 G HA2 0.626 4.588 3.960 0.003 0.000 0.273 157 G HA3 0.626 4.588 3.960 0.003 0.000 0.273 157 G C 0.793 175.730 174.900 0.062 0.000 1.305 157 G CA 0.391 45.412 45.100 -0.131 0.000 1.010 157 G HN 1.687 nan 8.290 nan 0.000 0.509 158 A N -1.067 121.860 122.820 0.179 0.000 2.515 158 A HA 0.513 4.834 4.320 0.003 0.000 0.263 158 A C 1.475 179.143 177.584 0.140 0.000 1.096 158 A CA 1.053 53.253 52.037 0.272 0.000 0.769 158 A CB -0.817 18.348 19.000 0.275 0.000 1.040 158 A HN 2.564 nan 8.150 nan 0.000 0.505 159 G N 1.049 109.924 108.800 0.124 0.000 2.182 159 G HA2 -0.138 3.824 3.960 0.003 0.000 0.248 159 G HA3 -0.138 3.824 3.960 0.003 0.000 0.248 159 G C 0.644 175.595 174.900 0.086 0.000 1.042 159 G CA 0.702 45.849 45.100 0.077 0.000 0.775 159 G HN 2.151 nan 8.290 nan 0.000 0.501 160 V N -3.562 116.416 119.914 0.107 0.000 3.471 160 V HA 0.651 4.773 4.120 0.003 0.000 0.258 160 V C 1.721 177.920 176.094 0.174 0.000 1.192 160 V CA 1.411 63.790 62.300 0.131 0.000 1.116 160 V CB 0.389 32.271 31.823 0.098 0.000 0.792 160 V HN 2.164 nan 8.190 nan 0.000 0.459 161 G N 0.331 109.212 108.800 0.135 0.000 2.155 161 G HA2 -0.165 3.797 3.960 0.003 0.000 0.130 161 G HA3 -0.165 3.797 3.960 0.003 0.000 0.130 161 G C 0.539 175.534 174.900 0.159 0.000 1.027 161 G CA 0.174 45.357 45.100 0.137 0.000 0.705 161 G HN 0.425 nan 8.290 nan 0.000 0.496 162 K N -0.072 120.415 120.400 0.144 0.000 2.009 162 K HA -0.087 4.235 4.320 0.003 0.000 0.210 162 K C 2.488 179.177 176.600 0.148 0.000 1.049 162 K CA 2.027 58.399 56.287 0.143 0.000 0.929 162 K CB -0.315 32.258 32.500 0.123 0.000 0.714 162 K HN 0.276 nan 8.250 nan 0.000 0.440 163 T N 1.100 115.738 114.554 0.140 0.000 2.812 163 T HA -0.073 4.279 4.350 0.003 0.000 0.264 163 T C 2.072 176.863 174.700 0.151 0.000 1.042 163 T CA 0.933 63.123 62.100 0.150 0.000 1.140 163 T CB -0.137 68.818 68.868 0.145 0.000 0.870 163 T HN -0.057 nan 8.240 nan 0.000 0.445 164 V N 1.704 121.712 119.914 0.156 0.000 2.332 164 V HA -0.134 3.988 4.120 0.003 0.000 0.248 164 V C 2.398 178.637 176.094 0.242 0.000 1.055 164 V CA 1.334 63.756 62.300 0.204 0.000 1.038 164 V CB -0.643 31.298 31.823 0.197 0.000 0.651 164 V HN 0.325 nan 8.190 nan 0.000 0.450 165 L N -0.137 121.245 121.223 0.266 0.000 2.017 165 L HA -0.132 4.210 4.340 0.003 0.000 0.208 165 L C 2.157 179.108 176.870 0.135 0.000 1.073 165 L CA 1.845 56.844 54.840 0.264 0.000 0.745 165 L CB -0.655 41.584 42.059 0.300 0.000 0.894 165 L HN 0.262 nan 8.230 nan 0.000 0.432 166 I N -1.204 119.449 120.570 0.139 0.000 2.264 166 I HA -0.331 3.841 4.170 0.003 0.000 0.248 166 I C 2.094 178.202 176.117 -0.016 0.000 1.111 166 I CA 1.137 62.504 61.300 0.111 0.000 1.382 166 I CB 0.038 38.139 38.000 0.168 0.000 1.060 166 I HN 0.314 nan 8.210 nan 0.000 0.418 167 M N -0.422 119.181 119.600 0.005 0.000 2.254 167 M HA -0.172 4.310 4.480 0.003 0.000 0.265 167 M C 2.103 178.341 176.300 -0.103 0.000 1.066 167 M CA 1.401 56.664 55.300 -0.062 0.000 1.123 167 M CB -1.332 31.268 32.600 -0.000 0.000 1.388 167 M HN 0.168 nan 8.290 nan 0.000 0.425 168 E N 0.824 120.958 120.200 -0.110 0.000 2.106 168 E HA -0.075 4.277 4.350 0.003 0.000 0.192 168 E C 2.037 178.516 176.600 -0.201 0.000 0.984 168 E CA 1.052 57.299 56.400 -0.256 0.000 0.806 168 E CB -0.247 29.055 29.700 -0.664 0.000 0.750 168 E HN 0.472 nan 8.360 nan 0.000 0.458 169 L N -0.148 121.009 121.223 -0.111 0.000 2.056 169 L HA -0.117 4.224 4.340 0.003 0.000 0.207 169 L C 2.422 179.261 176.870 -0.052 0.000 1.078 169 L CA 0.964 55.804 54.840 0.000 0.000 0.749 169 L CB -0.368 41.798 42.059 0.178 0.000 0.901 169 L HN 0.188 nan 8.230 nan 0.000 0.433 170 I N 0.114 120.518 120.570 -0.278 0.000 2.208 170 I HA -0.346 3.826 4.170 0.003 0.000 0.245 170 I C 2.324 178.346 176.117 -0.158 0.000 1.097 170 I CA 1.714 62.774 61.300 -0.400 0.000 1.363 170 I CB -0.387 37.273 38.000 -0.567 0.000 1.051 170 I HN 0.362 nan 8.210 nan 0.000 0.413 171 N N 0.966 119.586 118.700 -0.134 0.000 2.084 171 N HA -0.199 4.543 4.740 0.003 0.000 0.190 171 N C 1.561 177.037 175.510 -0.057 0.000 1.030 171 N CA 1.776 54.773 53.050 -0.088 0.000 0.849 171 N CB -0.010 38.419 38.487 -0.097 0.000 1.012 171 N HN 0.216 nan 8.380 nan 0.000 0.423 172 N N -1.031 117.634 118.700 -0.059 0.000 2.333 172 N HA 0.019 4.761 4.740 0.003 0.000 0.178 172 N C 1.239 176.759 175.510 0.017 0.000 1.018 172 N CA 0.643 53.674 53.050 -0.032 0.000 0.882 172 N CB 0.125 38.577 38.487 -0.058 0.000 0.984 172 N HN 0.125 nan 8.380 nan 0.000 0.434 173 V N -0.169 119.775 119.914 0.050 0.000 3.048 173 V HA 0.278 4.400 4.120 0.003 0.000 0.241 173 V C 1.882 178.049 176.094 0.122 0.000 1.129 173 V CA 1.057 63.415 62.300 0.097 0.000 1.128 173 V CB -0.022 31.884 31.823 0.139 0.000 0.849 173 V HN 0.201 nan 8.190 nan 0.000 0.475 174 A N -0.371 122.524 122.820 0.125 0.000 2.030 174 A HA 0.003 4.325 4.320 0.003 0.000 0.215 174 A C 2.138 179.803 177.584 0.135 0.000 1.164 174 A CA 0.850 52.982 52.037 0.158 0.000 0.697 174 A CB -0.187 18.926 19.000 0.188 0.000 0.827 174 A HN 0.412 nan 8.150 nan 0.000 0.457 175 K N -0.070 120.371 120.400 0.068 0.000 2.063 175 K HA -0.078 4.243 4.320 0.003 0.000 0.208 175 K C 1.541 178.176 176.600 0.059 0.000 1.048 175 K CA 1.364 57.678 56.287 0.045 0.000 0.928 175 K CB -0.194 32.312 32.500 0.010 0.000 0.713 175 K HN 0.398 nan 8.250 nan 0.000 0.442 176 A N 0.902 123.763 122.820 0.069 0.000 2.460 176 A HA 0.026 4.348 4.320 0.003 0.000 0.258 176 A C -0.177 177.458 177.584 0.085 0.000 1.300 176 A CA -0.257 51.814 52.037 0.056 0.000 0.913 176 A CB -0.430 18.592 19.000 0.037 0.000 1.031 176 A HN 0.251 nan 8.150 nan 0.000 0.512 177 H N -0.873 118.206 119.070 0.014 0.000 2.732 177 H HA 0.420 4.978 4.556 0.003 0.000 0.351 177 H C 1.433 176.743 175.328 -0.031 0.000 1.090 177 H CA 0.693 56.743 56.048 0.003 0.000 1.431 177 H CB 1.250 31.031 29.762 0.031 0.000 1.447 177 H HN 0.069 nan 8.280 nan 0.000 0.582 178 G N 2.775 111.211 108.800 -0.606 0.000 2.494 178 G HA2 0.086 4.047 3.960 0.003 0.000 0.216 178 G HA3 0.086 4.047 3.960 0.003 0.000 0.216 178 G C 0.833 175.371 174.900 -0.604 0.000 1.140 178 G CA 0.415 45.232 45.100 -0.471 0.000 0.801 178 G HN 0.791 nan 8.290 nan 0.000 0.536 179 G N -1.168 107.013 108.800 -1.031 0.000 2.736 179 G HA2 0.544 4.506 3.960 0.003 0.000 0.229 179 G HA3 0.544 4.506 3.960 0.003 0.000 0.229 179 G C -0.912 173.774 174.900 -0.357 0.000 1.380 179 G CA -1.040 43.650 45.100 -0.683 0.000 1.040 179 G HN 0.179 nan 8.290 nan 0.000 0.568 180 Y N -0.750 119.509 120.300 -0.070 0.000 2.403 180 Y HA 0.550 5.102 4.550 0.003 0.000 0.323 180 Y C 0.663 176.553 175.900 -0.016 0.000 1.226 180 Y CA -0.581 57.413 58.100 -0.175 0.000 1.235 180 Y CB 2.012 40.034 38.460 -0.731 0.000 1.248 180 Y HN 0.289 nan 8.280 nan 0.000 0.489 181 S N 0.757 116.564 115.700 0.177 0.000 2.568 181 S HA 0.660 5.131 4.470 0.003 0.000 0.293 181 S C -1.241 173.467 174.600 0.180 0.000 1.089 181 S CA -0.821 57.481 58.200 0.169 0.000 0.945 181 S CB 2.001 65.361 63.200 0.267 0.000 1.077 181 S HN 0.313 nan 8.310 nan 0.000 0.485 182 V N 2.607 122.634 119.914 0.189 0.000 2.540 182 V HA 0.533 4.655 4.120 0.003 0.000 0.302 182 V C -1.216 175.024 176.094 0.244 0.000 1.035 182 V CA -0.676 61.744 62.300 0.200 0.000 0.873 182 V CB 1.413 33.328 31.823 0.153 0.000 0.992 182 V HN 0.858 nan 8.190 nan 0.000 0.428 183 F N 4.117 124.123 119.950 0.094 0.000 2.427 183 F HA 0.772 5.301 4.527 0.003 0.000 0.348 183 F C 0.279 175.995 175.800 -0.139 0.000 1.125 183 F CA -0.551 57.476 58.000 0.045 0.000 0.989 183 F CB 1.166 40.194 39.000 0.047 0.000 1.165 183 F HN 0.551 nan 8.300 nan 0.000 0.442 184 A N 4.985 127.473 122.820 -0.553 0.000 2.280 184 A HA 0.589 4.911 4.320 0.003 0.000 0.320 184 A C 0.188 177.358 177.584 -0.691 0.000 1.366 184 A CA -0.316 51.431 52.037 -0.483 0.000 0.938 184 A CB -0.069 18.743 19.000 -0.314 0.000 1.157 184 A HN 1.014 nan 8.150 nan 0.000 0.536 185 G N 1.277 109.703 108.800 -0.624 0.000 2.351 185 G HA2 0.483 4.445 3.960 0.003 0.000 0.287 185 G HA3 0.483 4.445 3.960 0.003 0.000 0.287 185 G C -0.540 174.301 174.900 -0.099 0.000 1.159 185 G CA -0.067 44.861 45.100 -0.286 0.000 0.929 185 G HN 0.724 nan 8.290 nan 0.000 0.435 186 V N 2.740 122.629 119.914 -0.041 0.000 2.380 186 V HA 0.589 4.711 4.120 0.003 0.000 0.286 186 V C 1.008 177.132 176.094 0.050 0.000 1.015 186 V CA 0.214 62.512 62.300 -0.003 0.000 0.834 186 V CB 0.879 32.678 31.823 -0.040 0.000 1.009 186 V HN 1.414 nan 8.190 nan 0.000 0.428 187 G N 3.321 112.161 108.800 0.067 0.000 2.225 187 G HA2 -0.190 3.771 3.960 0.003 0.000 0.267 187 G HA3 -0.190 3.771 3.960 0.003 0.000 0.267 187 G C 0.166 175.110 174.900 0.073 0.000 1.024 187 G CA 0.584 45.721 45.100 0.062 0.000 0.784 187 G HN 0.579 nan 8.290 nan 0.000 0.507 188 E N -0.804 119.461 120.200 0.109 0.000 2.672 188 E HA 0.472 4.824 4.350 0.003 0.000 0.235 188 E C 0.798 177.468 176.600 0.117 0.000 0.906 188 E CA -0.966 55.503 56.400 0.115 0.000 0.973 188 E CB 0.571 30.362 29.700 0.152 0.000 1.478 188 E HN 0.356 nan 8.360 nan 0.000 0.430 189 R N 0.344 120.913 120.500 0.116 0.000 2.298 189 R HA 0.205 4.547 4.340 0.003 0.000 0.310 189 R C 1.142 177.492 176.300 0.083 0.000 1.068 189 R CA 0.075 56.226 56.100 0.085 0.000 0.957 189 R CB 0.399 30.743 30.300 0.073 0.000 1.003 189 R HN 0.413 nan 8.270 nan 0.000 0.454 190 T N 2.291 116.871 114.554 0.043 0.000 2.720 190 T HA -0.212 4.139 4.350 0.003 0.000 0.268 190 T C 1.787 176.466 174.700 -0.036 0.000 1.037 190 T CA 1.335 63.427 62.100 -0.013 0.000 1.144 190 T CB -0.152 68.704 68.868 -0.020 0.000 0.864 190 T HN 0.573 nan 8.240 nan 0.000 0.444 191 R N 1.255 121.756 120.500 0.001 0.000 2.113 191 R HA -0.221 4.121 4.340 0.003 0.000 0.244 191 R C 2.166 178.474 176.300 0.014 0.000 1.142 191 R CA 2.147 58.253 56.100 0.010 0.000 0.953 191 R CB -0.262 30.055 30.300 0.028 0.000 0.860 191 R HN 0.515 nan 8.270 nan 0.000 0.438 192 E N -1.103 119.120 120.200 0.038 0.000 2.153 192 E HA -0.132 4.220 4.350 0.003 0.000 0.194 192 E C 1.880 178.486 176.600 0.011 0.000 0.988 192 E CA 1.037 57.471 56.400 0.056 0.000 0.811 192 E CB -0.176 29.593 29.700 0.116 0.000 0.746 192 E HN 0.647 nan 8.360 nan 0.000 0.466 193 G N 1.157 109.915 108.800 -0.069 0.000 2.404 193 G HA2 -0.332 3.630 3.960 0.003 0.000 0.215 193 G HA3 -0.332 3.630 3.960 0.003 0.000 0.215 193 G C 1.404 176.128 174.900 -0.294 0.000 1.174 193 G CA 0.945 45.813 45.100 -0.386 0.000 0.780 193 G HN 0.218 nan 8.290 nan 0.000 0.537 194 N N 0.598 119.202 118.700 -0.160 0.000 2.120 194 N HA -0.112 4.630 4.740 0.003 0.000 0.188 194 N C 1.703 177.292 175.510 0.132 0.000 1.024 194 N CA 1.669 54.731 53.050 0.020 0.000 0.852 194 N CB -0.107 38.423 38.487 0.071 0.000 1.003 194 N HN 0.148 nan 8.380 nan 0.000 0.424 195 D N 0.184 120.621 120.400 0.062 0.000 2.087 195 D HA -0.172 4.470 4.640 0.003 0.000 0.192 195 D C 1.894 178.213 176.300 0.031 0.000 0.993 195 D CA 0.818 54.852 54.000 0.058 0.000 0.828 195 D CB -0.662 40.156 40.800 0.030 0.000 0.968 195 D HN 0.250 nan 8.370 nan 0.000 0.448 196 L N -0.048 121.160 121.223 -0.026 0.000 2.042 196 L HA -0.194 4.148 4.340 0.003 0.000 0.210 196 L C 2.198 179.044 176.870 -0.040 0.000 1.076 196 L CA 1.574 56.363 54.840 -0.085 0.000 0.749 196 L CB -0.985 40.939 42.059 -0.225 0.000 0.893 196 L HN 0.058 nan 8.230 nan 0.000 0.432 197 Y N 0.004 120.197 120.300 -0.179 0.000 2.070 197 Y HA -0.297 4.255 4.550 0.003 0.000 0.280 197 Y C 2.813 178.568 175.900 -0.242 0.000 1.148 197 Y CA 2.368 60.326 58.100 -0.236 0.000 1.125 197 Y CB -0.623 37.624 38.460 -0.355 0.000 0.975 197 Y HN 0.394 nan 8.280 nan 0.000 0.492 198 H N -0.208 118.796 119.070 -0.111 0.000 2.423 198 H HA -0.082 4.475 4.556 0.003 0.000 0.297 198 H C 2.064 177.301 175.328 -0.151 0.000 1.075 198 H CA 1.561 57.493 56.048 -0.194 0.000 1.342 198 H CB -0.087 29.621 29.762 -0.091 0.000 1.395 198 H HN 0.555 nan 8.280 nan 0.000 0.530 199 E N 0.439 120.634 120.200 -0.008 0.000 2.051 199 E HA -0.133 4.219 4.350 0.003 0.000 0.192 199 E C 2.183 178.738 176.600 -0.075 0.000 0.991 199 E CA 0.905 57.281 56.400 -0.040 0.000 0.799 199 E CB -0.002 29.672 29.700 -0.043 0.000 0.748 199 E HN 0.343 nan 8.360 nan 0.000 0.449 200 M N 0.041 119.578 119.600 -0.105 0.000 2.319 200 M HA -0.083 4.399 4.480 0.003 0.000 0.265 200 M C 2.056 178.278 176.300 -0.130 0.000 1.068 200 M CA 0.946 56.185 55.300 -0.103 0.000 1.118 200 M CB -0.003 32.547 32.600 -0.082 0.000 1.395 200 M HN 0.143 nan 8.290 nan 0.000 0.435 201 I N -0.133 120.310 120.570 -0.212 0.000 2.252 201 I HA -0.254 3.918 4.170 0.003 0.000 0.245 201 I C 2.438 178.491 176.117 -0.107 0.000 1.102 201 I CA 1.178 62.358 61.300 -0.201 0.000 1.385 201 I CB -0.318 37.502 38.000 -0.301 0.000 1.064 201 I HN 0.252 nan 8.210 nan 0.000 0.414 202 E N 1.326 121.477 120.200 -0.083 0.000 2.077 202 E HA -0.217 4.135 4.350 0.003 0.000 0.193 202 E C 2.153 178.725 176.600 -0.046 0.000 0.989 202 E CA 1.968 58.337 56.400 -0.053 0.000 0.800 202 E CB -0.145 29.531 29.700 -0.041 0.000 0.746 202 E HN 0.464 nan 8.360 nan 0.000 0.452 203 S N -1.578 114.092 115.700 -0.048 0.000 2.496 203 S HA 0.175 4.647 4.470 0.003 0.000 0.224 203 S C 1.743 176.325 174.600 -0.030 0.000 0.996 203 S CA 0.608 58.786 58.200 -0.037 0.000 0.927 203 S CB -0.002 63.176 63.200 -0.036 0.000 0.774 203 S HN 0.635 nan 8.310 nan 0.000 0.524 204 G N 0.648 109.425 108.800 -0.038 0.000 2.175 204 G HA2 -0.328 3.634 3.960 0.003 0.000 0.244 204 G HA3 -0.328 3.634 3.960 0.003 0.000 0.244 204 G C 0.841 175.732 174.900 -0.015 0.000 0.982 204 G CA 0.565 45.648 45.100 -0.028 0.000 0.641 204 G HN 1.411 nan 8.290 nan 0.000 0.527 205 V N -1.698 118.208 119.914 -0.013 0.000 2.809 205 V HA 0.437 4.559 4.120 0.003 0.000 0.256 205 V C 1.301 177.403 176.094 0.013 0.000 1.080 205 V CA 1.185 63.492 62.300 0.012 0.000 1.102 205 V CB -0.146 31.692 31.823 0.025 0.000 0.705 205 V HN 0.454 nan 8.190 nan 0.000 0.475 206 I N 2.168 122.726 120.570 -0.020 0.000 2.378 206 I HA 0.452 4.624 4.170 0.003 0.000 0.291 206 I C -0.595 175.494 176.117 -0.047 0.000 0.992 206 I CA -0.220 61.063 61.300 -0.028 0.000 1.154 206 I CB 1.529 39.492 38.000 -0.063 0.000 1.315 206 I HN 0.183 nan 8.210 nan 0.000 0.448 207 N N 7.175 125.862 118.700 -0.022 0.000 2.491 207 N HA 0.324 5.066 4.740 0.003 0.000 0.274 207 N C 0.076 175.578 175.510 -0.013 0.000 1.023 207 N CA -0.418 52.618 53.050 -0.023 0.000 0.902 207 N CB 1.848 40.330 38.487 -0.008 0.000 1.267 207 N HN 0.581 nan 8.380 nan 0.000 0.503 208 L N 2.315 123.524 121.223 -0.024 0.000 2.599 208 L HA 0.116 4.458 4.340 0.003 0.000 0.230 208 L C 1.572 178.444 176.870 0.003 0.000 1.141 208 L CA 0.482 55.319 54.840 -0.005 0.000 0.877 208 L CB 0.045 42.097 42.059 -0.011 0.000 1.009 208 L HN 0.305 nan 8.230 nan 0.000 0.447 209 K N -0.426 119.973 120.400 -0.001 0.000 2.436 209 K HA 0.148 4.469 4.320 0.003 0.000 0.198 209 K C 0.144 176.747 176.600 0.005 0.000 1.174 209 K CA 0.366 56.654 56.287 0.002 0.000 0.951 209 K CB 0.660 33.158 32.500 -0.002 0.000 1.040 209 K HN 0.354 nan 8.250 nan 0.000 0.536 210 D N -1.161 119.243 120.400 0.005 0.000 2.784 210 D HA 0.361 5.003 4.640 0.003 0.000 0.256 210 D C -0.076 176.232 176.300 0.013 0.000 1.129 210 D CA -0.702 53.304 54.000 0.009 0.000 1.102 210 D CB 0.296 41.101 40.800 0.009 0.000 1.330 210 D HN -0.151 nan 8.370 nan 0.000 0.626 211 A N -0.914 121.917 122.820 0.018 0.000 2.500 211 A HA 0.278 4.600 4.320 0.003 0.000 0.267 211 A C 1.130 178.734 177.584 0.035 0.000 1.290 211 A CA 0.426 52.477 52.037 0.024 0.000 0.928 211 A CB -0.905 18.111 19.000 0.026 0.000 1.066 211 A HN 0.576 nan 8.150 nan 0.000 0.516 212 T N -2.371 112.202 114.554 0.031 0.000 3.169 212 T HA 0.154 4.506 4.350 0.003 0.000 0.250 212 T C 0.617 175.348 174.700 0.051 0.000 1.111 212 T CA 0.256 62.381 62.100 0.042 0.000 1.010 212 T CB -0.468 68.416 68.868 0.027 0.000 0.984 212 T HN 0.131 nan 8.240 nan 0.000 0.537 213 S N 1.634 117.358 115.700 0.041 0.000 2.549 213 S HA 0.215 4.687 4.470 0.003 0.000 0.286 213 S C 1.007 175.649 174.600 0.070 0.000 1.314 213 S CA -0.448 57.777 58.200 0.041 0.000 1.062 213 S CB 0.916 64.132 63.200 0.027 0.000 0.865 213 S HN 0.440 nan 8.310 nan 0.000 0.498 214 K N 1.018 121.475 120.400 0.095 0.000 2.373 214 K HA 0.207 4.529 4.320 0.003 0.000 0.200 214 K C -0.593 176.092 176.600 0.142 0.000 1.054 214 K CA 0.251 56.645 56.287 0.178 0.000 1.065 214 K CB 0.715 33.312 32.500 0.161 0.000 0.886 214 K HN 0.355 nan 8.250 nan 0.000 0.546 215 V N 1.405 121.374 119.914 0.093 0.000 2.540 215 V HA 0.480 4.601 4.120 0.003 0.000 0.302 215 V C -0.526 175.634 176.094 0.110 0.000 1.035 215 V CA -1.216 61.154 62.300 0.117 0.000 0.873 215 V CB 1.525 33.430 31.823 0.136 0.000 0.992 215 V HN 0.091 nan 8.190 nan 0.000 0.428 216 A N 5.683 128.588 122.820 0.143 0.000 2.301 216 A HA 0.868 5.190 4.320 0.003 0.000 0.312 216 A C -0.686 177.004 177.584 0.176 0.000 1.182 216 A CA -0.477 51.654 52.037 0.156 0.000 0.826 216 A CB 0.559 19.681 19.000 0.203 0.000 1.134 216 A HN 0.820 nan 8.150 nan 0.000 0.501 217 L N 2.708 124.031 121.223 0.168 0.000 2.307 217 L HA 0.623 4.965 4.340 0.003 0.000 0.284 217 L C -0.956 176.006 176.870 0.154 0.000 1.023 217 L CA -0.835 54.132 54.840 0.212 0.000 0.810 217 L CB 1.803 44.047 42.059 0.308 0.000 1.231 217 L HN 0.410 nan 8.230 nan 0.000 0.423 218 V N 3.308 123.261 119.914 0.065 0.000 2.525 218 V HA 0.444 4.566 4.120 0.003 0.000 0.299 218 V C -1.294 174.749 176.094 -0.084 0.000 1.034 218 V CA -0.614 61.699 62.300 0.022 0.000 0.863 218 V CB 1.782 33.590 31.823 -0.026 0.000 0.999 218 V HN 0.457 nan 8.190 nan 0.000 0.423 219 Y N 1.732 122.061 120.300 0.049 0.000 2.406 219 Y HA 0.762 5.314 4.550 0.003 0.000 0.340 219 Y C 0.518 176.436 175.900 0.030 0.000 0.975 219 Y CA -0.640 57.494 58.100 0.057 0.000 1.056 219 Y CB 2.838 41.326 38.460 0.046 0.000 1.210 219 Y HN 0.704 nan 8.280 nan 0.000 0.448 220 G N 3.900 112.808 108.800 0.178 0.000 2.975 220 G HA2 0.380 4.342 3.960 0.003 0.000 0.299 220 G HA3 0.380 4.342 3.960 0.003 0.000 0.299 220 G C -1.168 173.800 174.900 0.114 0.000 1.587 220 G CA -0.554 44.616 45.100 0.117 0.000 1.052 220 G HN 0.320 nan 8.290 nan 0.000 0.545 221 Q N 1.310 121.186 119.800 0.127 0.000 2.239 221 Q HA 0.332 4.674 4.340 0.003 0.000 0.193 221 Q C 1.853 177.896 176.000 0.072 0.000 1.004 221 Q CA -0.887 54.989 55.803 0.122 0.000 1.040 221 Q CB 0.979 29.802 28.738 0.140 0.000 1.149 221 Q HN 0.742 nan 8.270 nan 0.000 0.535 222 M N -0.202 119.435 119.600 0.062 0.000 2.686 222 M HA 0.015 4.497 4.480 0.003 0.000 0.246 222 M C 0.609 176.927 176.300 0.029 0.000 1.096 222 M CA 0.838 56.161 55.300 0.039 0.000 1.076 222 M CB -0.379 32.239 32.600 0.031 0.000 1.504 222 M HN 0.315 nan 8.290 nan 0.000 0.524 223 N N 0.194 118.913 118.700 0.031 0.000 2.461 223 N HA 0.017 4.759 4.740 0.003 0.000 0.188 223 N C -0.348 175.175 175.510 0.021 0.000 1.134 223 N CA 0.379 53.442 53.050 0.022 0.000 0.878 223 N CB -0.135 38.363 38.487 0.018 0.000 0.972 223 N HN 0.413 nan 8.380 nan 0.000 0.456 224 E N 1.865 122.081 120.200 0.026 0.000 2.242 224 E HA 0.371 4.722 4.350 0.003 0.000 0.275 224 E C -2.233 174.376 176.600 0.016 0.000 1.002 224 E CA -2.054 54.360 56.400 0.024 0.000 0.841 224 E CB 1.446 31.165 29.700 0.033 0.000 1.109 224 E HN 0.201 nan 8.360 nan 0.000 0.394 225 P HA 0.090 nan 4.420 nan 0.000 0.272 225 P C -1.989 175.312 177.300 0.002 0.000 1.240 225 P CA -1.124 61.980 63.100 0.006 0.000 0.791 225 P CB 0.246 31.950 31.700 0.007 0.000 0.978 226 P HA -0.169 nan 4.420 nan 0.000 0.218 226 P C 1.677 178.965 177.300 -0.020 0.000 1.148 226 P CA 1.853 64.939 63.100 -0.023 0.000 0.822 226 P CB -0.681 30.998 31.700 -0.035 0.000 0.784 227 G N 0.740 109.537 108.800 -0.006 0.000 2.446 227 G HA2 -0.272 3.690 3.960 0.003 0.000 0.217 227 G HA3 -0.272 3.690 3.960 0.003 0.000 0.217 227 G C 1.826 176.737 174.900 0.019 0.000 1.168 227 G CA 1.265 46.369 45.100 0.006 0.000 0.771 227 G HN 0.374 nan 8.290 nan 0.000 0.551 228 A N 0.608 123.440 122.820 0.020 0.000 1.902 228 A HA -0.011 4.310 4.320 0.003 0.000 0.217 228 A C 2.440 180.042 177.584 0.030 0.000 1.181 228 A CA 1.659 53.713 52.037 0.028 0.000 0.623 228 A CB -0.380 18.637 19.000 0.029 0.000 0.818 228 A HN 0.357 nan 8.150 nan 0.000 0.443 229 R N -0.815 119.697 120.500 0.020 0.000 2.189 229 R HA 0.041 4.383 4.340 0.003 0.000 0.218 229 R C 2.124 178.444 176.300 0.034 0.000 1.074 229 R CA 0.888 57.001 56.100 0.022 0.000 0.991 229 R CB -0.255 30.047 30.300 0.003 0.000 0.883 229 R HN 0.507 nan 8.270 nan 0.000 0.457 230 A N 0.262 123.089 122.820 0.011 0.000 2.123 230 A HA 0.035 4.357 4.320 0.003 0.000 0.214 230 A C 1.703 179.387 177.584 0.167 0.000 1.152 230 A CA 0.601 52.641 52.037 0.005 0.000 0.728 230 A CB 0.211 19.139 19.000 -0.120 0.000 0.814 230 A HN 0.026 nan 8.150 nan 0.000 0.464 231 R N -1.643 118.921 120.500 0.106 0.000 2.316 231 R HA 0.141 4.483 4.340 0.003 0.000 0.201 231 R C 1.708 178.024 176.300 0.025 0.000 0.888 231 R CA 0.809 56.956 56.100 0.079 0.000 1.041 231 R CB -0.964 29.372 30.300 0.058 0.000 1.115 231 R HN 0.328 nan 8.270 nan 0.000 0.559 232 V N 1.591 121.522 119.914 0.030 0.000 2.594 232 V HA -0.135 3.986 4.120 0.003 0.000 0.253 232 V C 2.073 178.140 176.094 -0.045 0.000 1.069 232 V CA 1.911 64.209 62.300 -0.003 0.000 1.082 232 V CB -0.329 31.501 31.823 0.012 0.000 0.680 232 V HN 0.278 nan 8.190 nan 0.000 0.469 233 A N -0.121 122.672 122.820 -0.044 0.000 1.933 233 A HA -0.115 4.207 4.320 0.003 0.000 0.218 233 A C 2.101 179.588 177.584 -0.162 0.000 1.175 233 A CA 1.955 53.917 52.037 -0.125 0.000 0.628 233 A CB -0.441 18.458 19.000 -0.168 0.000 0.814 233 A HN 0.579 nan 8.150 nan 0.000 0.444 234 L N -0.846 120.286 121.223 -0.151 0.000 2.027 234 L HA -0.145 4.197 4.340 0.003 0.000 0.206 234 L C 2.755 179.540 176.870 -0.141 0.000 1.074 234 L CA 1.751 56.482 54.840 -0.181 0.000 0.745 234 L CB -1.613 40.302 42.059 -0.240 0.000 0.898 234 L HN 0.328 nan 8.230 nan 0.000 0.433 235 T N 0.441 114.931 114.554 -0.107 0.000 2.597 235 T HA -0.223 4.128 4.350 0.003 0.000 0.267 235 T C 1.898 176.551 174.700 -0.078 0.000 1.053 235 T CA 1.768 63.821 62.100 -0.077 0.000 1.165 235 T CB -0.882 67.958 68.868 -0.047 0.000 0.863 235 T HN 0.579 nan 8.240 nan 0.000 0.427 236 G N 1.403 110.151 108.800 -0.086 0.000 2.440 236 G HA2 -0.170 3.792 3.960 0.003 0.000 0.218 236 G HA3 -0.170 3.792 3.960 0.003 0.000 0.218 236 G C 1.544 176.396 174.900 -0.079 0.000 1.154 236 G CA 1.080 46.129 45.100 -0.085 0.000 0.767 236 G HN 0.458 nan 8.290 nan 0.000 0.552 237 L N 0.895 122.053 121.223 -0.108 0.000 2.056 237 L HA 0.036 4.378 4.340 0.003 0.000 0.207 237 L C 2.716 179.543 176.870 -0.072 0.000 1.078 237 L CA 2.687 57.464 54.840 -0.104 0.000 0.749 237 L CB -1.115 40.856 42.059 -0.147 0.000 0.901 237 L HN 0.153 nan 8.230 nan 0.000 0.433 238 T N -0.822 113.685 114.554 -0.079 0.000 2.788 238 T HA -0.133 4.219 4.350 0.003 0.000 0.268 238 T C 1.999 176.663 174.700 -0.058 0.000 1.044 238 T CA 1.547 63.609 62.100 -0.063 0.000 1.139 238 T CB -0.365 68.461 68.868 -0.070 0.000 0.867 238 T HN 0.228 nan 8.240 nan 0.000 0.454 239 V N 1.677 121.547 119.914 -0.072 0.000 2.295 239 V HA -0.164 3.958 4.120 0.003 0.000 0.246 239 V C 2.881 178.953 176.094 -0.038 0.000 1.049 239 V CA 1.750 63.984 62.300 -0.110 0.000 1.024 239 V CB -1.154 30.634 31.823 -0.058 0.000 0.648 239 V HN 0.526 nan 8.190 nan 0.000 0.447 240 A N -0.535 122.328 122.820 0.072 0.000 1.930 240 A HA -0.222 4.100 4.320 0.003 0.000 0.217 240 A C 2.153 179.813 177.584 0.128 0.000 1.175 240 A CA 1.732 53.875 52.037 0.176 0.000 0.627 240 A CB -0.451 18.600 19.000 0.085 0.000 0.815 240 A HN 0.624 nan 8.150 nan 0.000 0.443 241 E N -1.516 118.710 120.200 0.042 0.000 2.085 241 E HA -0.240 4.112 4.350 0.003 0.000 0.194 241 E C 1.828 178.443 176.600 0.025 0.000 0.994 241 E CA 1.552 57.965 56.400 0.023 0.000 0.801 241 E CB -0.361 29.337 29.700 -0.004 0.000 0.743 241 E HN 0.790 nan 8.360 nan 0.000 0.453 242 Y N 0.568 120.796 120.300 -0.119 0.000 2.081 242 Y HA -0.301 4.251 4.550 0.003 0.000 0.280 242 Y C 1.918 177.766 175.900 -0.087 0.000 1.163 242 Y CA 1.850 59.845 58.100 -0.174 0.000 1.135 242 Y CB -0.483 37.764 38.460 -0.356 0.000 0.970 242 Y HN -0.011 nan 8.280 nan 0.000 0.498 243 F N -0.028 120.032 119.950 0.183 0.000 2.126 243 F HA -0.253 4.276 4.527 0.003 0.000 0.299 243 F C 2.817 178.632 175.800 0.027 0.000 1.096 243 F CA 1.486 59.574 58.000 0.146 0.000 1.255 243 F CB -0.405 38.737 39.000 0.236 0.000 0.997 243 F HN -0.020 nan 8.300 nan 0.000 0.479 244 R N 0.486 121.103 120.500 0.195 0.000 2.091 244 R HA -0.177 4.165 4.340 0.003 0.000 0.238 244 R C 1.393 177.693 176.300 0.000 0.000 1.136 244 R CA 2.214 58.361 56.100 0.079 0.000 0.959 244 R CB -0.225 30.102 30.300 0.045 0.000 0.856 244 R HN 0.219 nan 8.270 nan 0.000 0.437 245 D N -0.570 119.790 120.400 -0.066 0.000 2.414 245 D HA -0.028 4.614 4.640 0.003 0.000 0.237 245 D C 1.248 177.441 176.300 -0.178 0.000 0.975 245 D CA 0.609 54.546 54.000 -0.106 0.000 0.917 245 D CB -0.034 40.706 40.800 -0.102 0.000 1.061 245 D HN 0.128 nan 8.370 nan 0.000 0.480 246 Q N 0.514 120.088 119.800 -0.377 0.000 2.253 246 Q HA 0.148 4.489 4.340 0.003 0.000 0.210 246 Q C 0.227 176.022 176.000 -0.342 0.000 0.907 246 Q CA 0.356 55.859 55.803 -0.499 0.000 0.948 246 Q CB 0.891 29.010 28.738 -1.031 0.000 1.033 246 Q HN 0.448 nan 8.270 nan 0.000 0.471 247 E N -1.651 118.459 120.200 -0.151 0.000 2.642 247 E HA 0.126 4.478 4.350 0.003 0.000 0.206 247 E C 0.545 177.147 176.600 0.003 0.000 0.939 247 E CA 0.298 56.698 56.400 0.001 0.000 1.372 247 E CB 0.890 30.690 29.700 0.165 0.000 1.334 247 E HN 0.334 nan 8.360 nan 0.000 0.709 248 G N 1.981 110.767 108.800 -0.023 0.000 2.212 248 G HA2 -0.329 3.633 3.960 0.003 0.000 0.267 248 G HA3 -0.329 3.633 3.960 0.003 0.000 0.267 248 G C 0.360 175.260 174.900 0.000 0.000 1.002 248 G CA 0.966 46.056 45.100 -0.016 0.000 0.729 248 G HN 0.108 nan 8.290 nan 0.000 0.517 249 Q N 0.092 119.909 119.800 0.028 0.000 2.237 249 Q HA 0.504 4.846 4.340 0.003 0.000 0.219 249 Q C -0.071 175.941 176.000 0.020 0.000 0.999 249 Q CA -0.703 55.104 55.803 0.007 0.000 0.959 249 Q CB 0.486 29.212 28.738 -0.020 0.000 1.173 249 Q HN 0.237 nan 8.270 nan 0.000 0.527 250 D N 0.214 120.613 120.400 -0.002 0.000 2.352 250 D HA 0.231 4.872 4.640 0.003 0.000 0.245 250 D C -0.999 175.391 176.300 0.150 0.000 1.224 250 D CA 0.087 54.126 54.000 0.065 0.000 0.879 250 D CB 0.421 41.273 40.800 0.086 0.000 1.057 250 D HN 0.053 nan 8.370 nan 0.000 0.491 251 V N 3.716 123.684 119.914 0.090 0.000 2.513 251 V HA 0.402 4.524 4.120 0.003 0.000 0.299 251 V C 0.260 176.306 176.094 -0.081 0.000 1.035 251 V CA -0.891 61.450 62.300 0.069 0.000 0.889 251 V CB 1.756 33.642 31.823 0.104 0.000 0.988 251 V HN 0.312 nan 8.190 nan 0.000 0.440 252 L N 5.157 126.280 121.223 -0.166 0.000 2.296 252 L HA 0.589 4.931 4.340 0.003 0.000 0.286 252 L C -0.803 175.869 176.870 -0.330 0.000 1.023 252 L CA -0.585 54.034 54.840 -0.369 0.000 0.812 252 L CB 1.584 43.374 42.059 -0.448 0.000 1.223 252 L HN 0.438 nan 8.230 nan 0.000 0.421 253 L N 4.141 125.080 121.223 -0.473 0.000 2.343 253 L HA 0.559 4.901 4.340 0.003 0.000 0.278 253 L C -1.219 175.314 176.870 -0.561 0.000 0.996 253 L CA 0.076 54.708 54.840 -0.347 0.000 0.831 253 L CB 1.002 42.932 42.059 -0.215 0.000 1.232 253 L HN 0.205 nan 8.230 nan 0.000 0.413 254 F N 6.017 125.881 119.950 -0.143 0.000 2.427 254 F HA 0.588 5.117 4.527 0.003 0.000 0.346 254 F C 0.086 175.575 175.800 -0.518 0.000 1.120 254 F CA -0.452 57.409 58.000 -0.231 0.000 1.033 254 F CB 1.274 40.252 39.000 -0.036 0.000 1.126 254 F HN 0.236 nan 8.300 nan 0.000 0.462 255 I N 2.965 123.354 120.570 -0.302 0.000 2.418 255 I HA 0.295 4.467 4.170 0.003 0.000 0.287 255 I C -1.250 174.669 176.117 -0.330 0.000 1.008 255 I CA -0.533 60.518 61.300 -0.415 0.000 1.104 255 I CB 1.864 39.692 38.000 -0.287 0.000 1.264 255 I HN 0.437 nan 8.210 nan 0.000 0.438 256 D N 6.286 126.445 120.400 -0.400 0.000 2.473 256 D HA 0.264 4.906 4.640 0.003 0.000 0.253 256 D C -1.314 174.957 176.300 -0.048 0.000 1.233 256 D CA -0.278 53.652 54.000 -0.117 0.000 0.908 256 D CB 1.218 42.054 40.800 0.061 0.000 1.170 256 D HN 0.403 nan 8.370 nan 0.000 0.558 257 N N 4.355 123.059 118.700 0.007 0.000 2.296 257 N HA 0.163 4.905 4.740 0.003 0.000 0.294 257 N C 0.510 176.050 175.510 0.050 0.000 1.033 257 N CA -0.507 52.567 53.050 0.041 0.000 0.839 257 N CB 1.630 40.193 38.487 0.126 0.000 1.395 257 N HN 0.314 nan 8.380 nan 0.000 0.479 258 I N 4.014 124.588 120.570 0.006 0.000 2.614 258 I HA -0.070 4.101 4.170 0.003 0.000 0.258 258 I C 1.681 177.873 176.117 0.125 0.000 1.189 258 I CA 0.640 61.940 61.300 0.000 0.000 1.462 258 I CB -0.619 37.316 38.000 -0.108 0.000 1.092 258 I HN 0.621 nan 8.210 nan 0.000 0.442 259 F N 1.541 121.525 119.950 0.056 0.000 2.192 259 F HA -0.255 4.274 4.527 0.003 0.000 0.301 259 F C 2.273 178.164 175.800 0.152 0.000 1.079 259 F CA 1.612 59.693 58.000 0.134 0.000 1.303 259 F CB -0.319 38.813 39.000 0.220 0.000 1.024 259 F HN 0.005 nan 8.300 nan 0.000 0.494 260 R N -0.257 120.240 120.500 -0.005 0.000 2.189 260 R HA -0.148 4.194 4.340 0.003 0.000 0.218 260 R C 2.163 178.392 176.300 -0.118 0.000 1.074 260 R CA 1.143 57.174 56.100 -0.115 0.000 0.991 260 R CB -1.554 28.769 30.300 0.038 0.000 0.883 260 R HN 0.494 nan 8.270 nan 0.000 0.457 261 F N 1.721 121.564 119.950 -0.177 0.000 2.102 261 F HA -0.174 4.356 4.527 0.004 0.000 0.298 261 F C 1.935 177.631 175.800 -0.174 0.000 1.105 261 F CA 1.613 59.526 58.000 -0.146 0.000 1.239 261 F CB -0.281 38.648 39.000 -0.119 0.000 0.991 261 F HN -0.141 nan 8.300 nan 0.000 0.474 262 T N 0.220 114.614 114.554 -0.267 0.000 2.737 262 T HA -0.225 4.126 4.350 0.003 0.000 0.265 262 T C 1.899 176.382 174.700 -0.361 0.000 1.038 262 T CA 1.507 63.389 62.100 -0.363 0.000 1.144 262 T CB -0.421 68.347 68.868 -0.166 0.000 0.866 262 T HN 0.447 nan 8.240 nan 0.000 0.434 263 Q N 0.737 120.194 119.800 -0.572 0.000 2.096 263 Q HA -0.146 4.196 4.340 0.003 0.000 0.204 263 Q C 2.456 178.322 176.000 -0.223 0.000 0.982 263 Q CA 1.627 57.189 55.803 -0.402 0.000 0.850 263 Q CB -0.314 28.080 28.738 -0.574 0.000 0.901 263 Q HN 0.530 nan 8.270 nan 0.000 0.422 264 A N 0.515 123.190 122.820 -0.242 0.000 1.908 264 A HA -0.133 4.189 4.320 0.003 0.000 0.218 264 A C 2.307 179.784 177.584 -0.179 0.000 1.181 264 A CA 1.674 53.609 52.037 -0.171 0.000 0.627 264 A CB -1.424 17.486 19.000 -0.149 0.000 0.818 264 A HN 0.620 nan 8.150 nan 0.000 0.445 265 G N -0.068 108.567 108.800 -0.275 0.000 2.450 265 G HA2 -0.240 3.721 3.960 0.003 0.000 0.220 265 G HA3 -0.240 3.721 3.960 0.003 0.000 0.220 265 G C 1.926 176.755 174.900 -0.118 0.000 1.130 265 G CA 1.851 46.812 45.100 -0.233 0.000 0.760 265 G HN 0.923 nan 8.290 nan 0.000 0.557 266 S N 0.243 115.892 115.700 -0.085 0.000 2.453 266 S HA 0.015 4.487 4.470 0.003 0.000 0.231 266 S C 1.907 176.475 174.600 -0.053 0.000 1.005 266 S CA 1.364 59.543 58.200 -0.035 0.000 0.949 266 S CB -0.159 63.026 63.200 -0.025 0.000 0.774 266 S HN 0.584 nan 8.310 nan 0.000 0.510 267 E N 0.990 121.153 120.200 -0.063 0.000 2.158 267 E HA -0.037 4.314 4.350 0.003 0.000 0.191 267 E C 2.089 178.666 176.600 -0.037 0.000 0.982 267 E CA 1.296 57.668 56.400 -0.047 0.000 0.823 267 E CB -0.138 29.535 29.700 -0.045 0.000 0.766 267 E HN 0.677 nan 8.360 nan 0.000 0.468 268 V N -2.112 117.776 119.914 -0.042 0.000 3.590 268 V HA 0.074 4.196 4.120 0.003 0.000 0.265 268 V C 2.122 178.202 176.094 -0.024 0.000 1.239 268 V CA 0.847 63.129 62.300 -0.030 0.000 1.117 268 V CB 0.587 32.391 31.823 -0.031 0.000 0.818 268 V HN 0.059 nan 8.190 nan 0.000 0.451 269 S N 1.548 117.232 115.700 -0.027 0.000 2.359 269 S HA -0.181 4.291 4.470 0.003 0.000 0.224 269 S C 2.179 176.774 174.600 -0.008 0.000 1.035 269 S CA 2.144 60.334 58.200 -0.016 0.000 1.018 269 S CB -0.493 62.701 63.200 -0.010 0.000 0.876 269 S HN 0.976 nan 8.310 nan 0.000 0.448 270 A N 1.099 123.913 122.820 -0.009 0.000 1.933 270 A HA 0.065 4.386 4.320 0.003 0.000 0.218 270 A C 2.154 179.736 177.584 -0.003 0.000 1.175 270 A CA 1.366 53.400 52.037 -0.005 0.000 0.628 270 A CB -0.713 18.283 19.000 -0.007 0.000 0.814 270 A HN 0.586 nan 8.150 nan 0.000 0.444 271 L N -0.666 120.554 121.223 -0.005 0.000 2.376 271 L HA -0.027 4.315 4.340 0.003 0.000 0.219 271 L C 1.840 178.711 176.870 0.002 0.000 1.133 271 L CA 0.416 55.255 54.840 -0.002 0.000 0.816 271 L CB -0.268 41.789 42.059 -0.003 0.000 0.933 271 L HN 0.348 nan 8.230 nan 0.000 0.449 272 L N -0.458 120.765 121.223 -0.000 0.000 2.591 272 L HA 0.143 4.485 4.340 0.003 0.000 0.228 272 L C 1.375 178.248 176.870 0.006 0.000 1.133 272 L CA 0.562 55.404 54.840 0.003 0.000 0.880 272 L CB -0.320 41.739 42.059 -0.001 0.000 1.033 272 L HN 0.475 nan 8.230 nan 0.000 0.450 273 G N 0.498 109.301 108.800 0.005 0.000 2.131 273 G HA2 -0.254 3.708 3.960 0.003 0.000 0.223 273 G HA3 -0.254 3.708 3.960 0.003 0.000 0.223 273 G C 0.070 174.974 174.900 0.008 0.000 0.990 273 G CA -0.362 44.742 45.100 0.007 0.000 0.671 273 G HN 0.263 nan 8.290 nan 0.000 0.521 274 R N -0.081 120.424 120.500 0.007 0.000 2.390 274 R HA 0.625 4.966 4.340 0.003 0.000 0.291 274 R C 1.160 177.467 176.300 0.012 0.000 1.070 274 R CA -0.511 55.595 56.100 0.011 0.000 1.014 274 R CB 0.542 30.849 30.300 0.013 0.000 1.007 274 R HN 0.352 nan 8.270 nan 0.000 0.466 275 I N 5.542 126.121 120.570 0.014 0.000 2.710 275 I HA 0.056 4.228 4.170 0.003 0.000 0.286 275 I C -1.515 174.615 176.117 0.022 0.000 1.181 275 I CA -1.363 59.947 61.300 0.016 0.000 1.430 275 I CB 0.435 38.445 38.000 0.016 0.000 1.367 275 I HN 0.373 nan 8.210 nan 0.000 0.577 276 P HA 0.086 nan 4.420 nan 0.000 0.274 276 P C -0.347 176.980 177.300 0.046 0.000 1.231 276 P CA -0.293 62.826 63.100 0.032 0.000 0.790 276 P CB 1.282 32.995 31.700 0.020 0.000 0.951 277 S N 1.034 116.777 115.700 0.071 0.000 2.598 277 S HA 0.546 5.017 4.470 0.003 0.000 0.267 277 S C 0.231 174.887 174.600 0.094 0.000 1.189 277 S CA -0.330 57.918 58.200 0.081 0.000 1.010 277 S CB -0.104 63.154 63.200 0.097 0.000 1.084 277 S HN 0.620 nan 8.310 nan 0.000 0.541 278 A N 0.108 122.991 122.820 0.105 0.000 2.445 278 A HA 0.450 4.771 4.320 0.003 0.000 0.242 278 A C 0.832 178.514 177.584 0.163 0.000 1.075 278 A CA 0.237 52.339 52.037 0.109 0.000 0.777 278 A CB -0.586 18.473 19.000 0.098 0.000 1.013 278 A HN 1.657 nan 8.150 nan 0.000 0.493 279 V N 0.721 120.702 119.914 0.112 0.000 4.868 279 V HA -0.267 3.855 4.120 0.003 0.000 0.274 279 V C 1.599 177.665 176.094 -0.047 0.000 0.450 279 V CA 1.442 63.797 62.300 0.092 0.000 0.773 279 V CB -2.574 29.380 31.823 0.217 0.000 0.704 279 V HN 2.915 nan 8.190 nan 0.000 1.326 280 G N -2.155 106.622 108.800 -0.039 0.000 2.153 280 G HA2 -0.342 3.620 3.960 0.003 0.000 0.252 280 G HA3 -0.342 3.620 3.960 0.003 0.000 0.252 280 G C -0.201 174.602 174.900 -0.161 0.000 0.994 280 G CA 0.608 45.637 45.100 -0.117 0.000 0.698 280 G HN 0.950 nan 8.290 nan 0.000 0.521 281 Y N 0.967 121.290 120.300 0.038 0.000 2.376 281 Y HA 0.472 5.023 4.550 0.002 0.000 0.325 281 Y C 1.232 177.139 175.900 0.011 0.000 1.199 281 Y CA -0.672 57.445 58.100 0.028 0.000 1.206 281 Y CB 0.778 39.266 38.460 0.047 0.000 1.229 281 Y HN 0.357 nan 8.280 nan 0.000 0.480 282 Q N 2.802 122.717 119.800 0.192 0.000 2.349 282 Q HA 0.004 4.346 4.340 0.003 0.000 0.287 282 Q C -2.404 173.650 176.000 0.089 0.000 1.044 282 Q CA -1.258 54.601 55.803 0.093 0.000 0.918 282 Q CB 0.679 29.443 28.738 0.044 0.000 1.242 282 Q HN 0.418 nan 8.270 nan 0.000 0.405 283 P HA -0.087 nan 4.420 nan 0.000 0.222 283 P C 0.925 178.249 177.300 0.041 0.000 1.147 283 P CA 1.614 64.744 63.100 0.050 0.000 0.790 283 P CB 0.013 31.734 31.700 0.036 0.000 0.780 284 T N -4.085 110.489 114.554 0.034 0.000 3.144 284 T HA 0.130 4.482 4.350 0.003 0.000 0.249 284 T C 1.525 176.244 174.700 0.032 0.000 1.089 284 T CA -0.257 61.861 62.100 0.030 0.000 0.989 284 T CB -1.029 67.851 68.868 0.020 0.000 0.992 284 T HN -0.021 nan 8.240 nan 0.000 0.540 285 L N 1.114 122.353 121.223 0.027 0.000 2.010 285 L HA -0.212 4.130 4.340 0.003 0.000 0.219 285 L C 2.778 179.674 176.870 0.044 0.000 1.077 285 L CA 2.231 57.076 54.840 0.008 0.000 0.773 285 L CB -0.680 41.352 42.059 -0.045 0.000 0.892 285 L HN 0.410 nan 8.230 nan 0.000 0.436 286 A N -1.141 121.710 122.820 0.053 0.000 1.897 286 A HA -0.160 4.162 4.320 0.003 0.000 0.215 286 A C 2.322 179.968 177.584 0.103 0.000 1.181 286 A CA 1.830 53.919 52.037 0.085 0.000 0.620 286 A CB -1.061 17.984 19.000 0.075 0.000 0.821 286 A HN 0.640 nan 8.150 nan 0.000 0.443 287 T N -1.847 112.755 114.554 0.080 0.000 2.777 287 T HA -0.140 4.212 4.350 0.003 0.000 0.266 287 T C 1.376 176.133 174.700 0.096 0.000 1.040 287 T CA 1.444 63.592 62.100 0.078 0.000 1.141 287 T CB -0.554 68.348 68.868 0.057 0.000 0.868 287 T HN 0.314 nan 8.240 nan 0.000 0.444 288 D N 1.125 121.591 120.400 0.111 0.000 2.116 288 D HA -0.115 4.526 4.640 0.003 0.000 0.193 288 D C 1.983 178.447 176.300 0.273 0.000 0.998 288 D CA 1.336 55.453 54.000 0.195 0.000 0.836 288 D CB -0.476 40.411 40.800 0.146 0.000 0.951 288 D HN 0.413 nan 8.370 nan 0.000 0.449 289 M N 0.267 120.000 119.600 0.221 0.000 2.117 289 M HA -0.076 4.406 4.480 0.003 0.000 0.262 289 M C 2.056 178.292 176.300 -0.106 0.000 1.065 289 M CA 2.016 57.370 55.300 0.090 0.000 1.114 289 M CB -0.200 32.446 32.600 0.077 0.000 1.361 289 M HN 0.045 nan 8.290 nan 0.000 0.408 290 G N -0.640 108.171 108.800 0.019 0.000 2.418 290 G HA2 -0.277 3.684 3.960 0.003 0.000 0.217 290 G HA3 -0.277 3.684 3.960 0.003 0.000 0.217 290 G C 1.457 176.357 174.900 0.001 0.000 1.158 290 G CA 1.556 46.690 45.100 0.057 0.000 0.771 290 G HN 0.596 nan 8.290 nan 0.000 0.545 291 T N -2.078 112.483 114.554 0.012 0.000 2.985 291 T HA 0.031 4.382 4.350 0.003 0.000 0.266 291 T C 2.205 176.872 174.700 -0.055 0.000 1.076 291 T CA 1.400 63.505 62.100 0.007 0.000 1.135 291 T CB -0.102 68.793 68.868 0.046 0.000 0.890 291 T HN 0.120 nan 8.240 nan 0.000 0.480 292 M N 0.470 119.989 119.600 -0.134 0.000 2.134 292 M HA 0.022 4.504 4.480 0.003 0.000 0.262 292 M C 2.294 178.424 176.300 -0.284 0.000 1.076 292 M CA 1.477 56.609 55.300 -0.280 0.000 1.143 292 M CB -0.723 31.518 32.600 -0.599 0.000 1.346 292 M HN 0.196 nan 8.290 nan 0.000 0.421 293 Q N 0.581 120.180 119.800 -0.336 0.000 2.170 293 Q HA -0.145 4.197 4.340 0.003 0.000 0.203 293 Q C 1.695 177.597 176.000 -0.163 0.000 0.976 293 Q CA 1.230 56.825 55.803 -0.348 0.000 0.858 293 Q CB -0.382 27.916 28.738 -0.734 0.000 0.907 293 Q HN 0.577 nan 8.270 nan 0.000 0.433 294 E N 0.111 120.260 120.200 -0.085 0.000 2.427 294 E HA -0.065 4.286 4.350 0.003 0.000 0.196 294 E C 1.710 178.293 176.600 -0.028 0.000 1.028 294 E CA 0.260 56.657 56.400 -0.005 0.000 0.864 294 E CB 0.078 29.802 29.700 0.041 0.000 0.813 294 E HN 0.309 nan 8.360 nan 0.000 0.514 295 R N 0.121 120.581 120.500 -0.066 0.000 2.200 295 R HA 0.164 4.506 4.340 0.003 0.000 0.208 295 R C 0.990 177.243 176.300 -0.078 0.000 1.033 295 R CA 0.219 56.280 56.100 -0.066 0.000 1.000 295 R CB 0.216 30.468 30.300 -0.081 0.000 0.906 295 R HN 0.048 nan 8.270 nan 0.000 0.462 296 I N 1.789 122.296 120.570 -0.105 0.000 2.270 296 I HA 0.041 4.212 4.170 0.003 0.000 0.300 296 I C -0.089 175.979 176.117 -0.082 0.000 1.186 296 I CA 0.311 61.544 61.300 -0.113 0.000 1.431 296 I CB 0.400 38.305 38.000 -0.158 0.000 1.485 296 I HN -0.060 nan 8.210 nan 0.000 0.650 297 T N 2.779 117.294 114.554 -0.064 0.000 2.957 297 T HA 0.216 4.568 4.350 0.003 0.000 0.336 297 T C -0.278 174.397 174.700 -0.043 0.000 1.462 297 T CA -0.384 61.688 62.100 -0.047 0.000 1.073 297 T CB 1.486 70.338 68.868 -0.027 0.000 1.319 297 T HN 0.290 nan 8.240 nan 0.000 0.485 298 T N 3.724 118.253 114.554 -0.041 0.000 2.930 298 T HA 0.520 4.872 4.350 0.003 0.000 0.306 298 T C 0.678 175.358 174.700 -0.035 0.000 1.045 298 T CA 0.118 62.197 62.100 -0.035 0.000 1.134 298 T CB 0.572 69.419 68.868 -0.034 0.000 0.961 298 T HN 0.884 nan 8.240 nan 0.000 0.545 299 T N 0.054 114.588 114.554 -0.033 0.000 2.724 299 T HA 0.481 4.833 4.350 0.003 0.000 0.274 299 T C 1.084 175.760 174.700 -0.041 0.000 0.984 299 T CA -0.997 61.080 62.100 -0.039 0.000 1.024 299 T CB 1.316 70.164 68.868 -0.034 0.000 1.320 299 T HN 0.363 nan 8.240 nan 0.000 0.555 300 K N 0.057 120.429 120.400 -0.046 0.000 2.148 300 K HA 0.048 4.370 4.320 0.003 0.000 0.204 300 K C 2.260 178.840 176.600 -0.033 0.000 1.050 300 K CA 0.993 57.255 56.287 -0.042 0.000 0.942 300 K CB -0.083 32.389 32.500 -0.047 0.000 0.724 300 K HN 0.445 nan 8.250 nan 0.000 0.446 301 K N -0.328 120.053 120.400 -0.032 0.000 2.155 301 K HA -0.019 4.303 4.320 0.003 0.000 0.203 301 K C 0.776 177.361 176.600 -0.025 0.000 1.052 301 K CA 0.895 57.164 56.287 -0.029 0.000 0.948 301 K CB 0.341 32.821 32.500 -0.033 0.000 0.728 301 K HN 0.216 nan 8.250 nan 0.000 0.448 302 G N -0.500 108.287 108.800 -0.021 0.000 2.466 302 G HA2 0.200 4.162 3.960 0.003 0.000 0.291 302 G HA3 0.200 4.162 3.960 0.003 0.000 0.291 302 G C -1.750 173.143 174.900 -0.011 0.000 1.460 302 G CA -0.652 44.441 45.100 -0.012 0.000 0.791 302 G HN -0.043 nan 8.290 nan 0.000 0.505 303 S N -0.570 115.127 115.700 -0.005 0.000 2.475 303 S HA 0.777 5.249 4.470 0.003 0.000 0.298 303 S C -0.323 174.270 174.600 -0.013 0.000 1.119 303 S CA -0.736 57.457 58.200 -0.011 0.000 1.085 303 S CB 0.660 63.856 63.200 -0.007 0.000 1.028 303 S HN 0.536 nan 8.310 nan 0.000 0.489 304 I N 3.932 124.480 120.570 -0.037 0.000 2.410 304 I HA 0.243 4.415 4.170 0.003 0.000 0.286 304 I C -0.286 175.768 176.117 -0.106 0.000 1.009 304 I CA -0.597 60.663 61.300 -0.066 0.000 1.111 304 I CB 2.132 40.091 38.000 -0.068 0.000 1.262 304 I HN 0.533 nan 8.210 nan 0.000 0.443 305 T N 4.424 118.888 114.554 -0.150 0.000 2.723 305 T HA 0.236 4.587 4.350 0.003 0.000 0.297 305 T C 0.263 174.782 174.700 -0.303 0.000 0.925 305 T CA -0.483 61.498 62.100 -0.197 0.000 1.030 305 T CB 0.366 69.117 68.868 -0.194 0.000 0.905 305 T HN 0.674 nan 8.240 nan 0.000 0.502 306 S N 2.436 117.974 115.700 -0.270 0.000 2.437 306 S HA 0.677 5.149 4.470 0.003 0.000 0.305 306 S C -0.394 174.004 174.600 -0.335 0.000 1.109 306 S CA -0.832 57.179 58.200 -0.315 0.000 1.099 306 S CB 1.222 64.285 63.200 -0.229 0.000 1.004 306 S HN 0.380 nan 8.310 nan 0.000 0.475 307 V N 3.711 123.393 119.914 -0.386 0.000 2.407 307 V HA 0.458 4.580 4.120 0.003 0.000 0.291 307 V C -0.519 175.471 176.094 -0.173 0.000 1.018 307 V CA -0.510 61.633 62.300 -0.262 0.000 0.842 307 V CB 1.226 32.972 31.823 -0.128 0.000 0.996 307 V HN 0.961 nan 8.190 nan 0.000 0.426 308 Q N 3.061 122.748 119.800 -0.188 0.000 2.330 308 Q HA 0.734 5.075 4.340 0.003 0.000 0.269 308 Q C -0.361 175.533 176.000 -0.177 0.000 1.022 308 Q CA -0.597 55.094 55.803 -0.186 0.000 0.796 308 Q CB 2.677 31.280 28.738 -0.225 0.000 1.271 308 Q HN 0.870 nan 8.270 nan 0.000 0.450 309 A N 3.539 126.293 122.820 -0.111 0.000 2.366 309 A HA 0.534 4.856 4.320 0.003 0.000 0.272 309 A C -0.382 177.138 177.584 -0.107 0.000 1.135 309 A CA -0.218 51.773 52.037 -0.075 0.000 0.804 309 A CB 0.039 19.050 19.000 0.018 0.000 1.064 309 A HN 0.744 nan 8.150 nan 0.000 0.499 310 I N 3.119 123.577 120.570 -0.187 0.000 2.437 310 I HA 0.160 4.332 4.170 0.003 0.000 0.279 310 I C -0.603 175.491 176.117 -0.039 0.000 1.028 310 I CA -0.476 60.698 61.300 -0.209 0.000 1.142 310 I CB 0.996 38.568 38.000 -0.714 0.000 1.266 310 I HN 0.734 nan 8.210 nan 0.000 0.461 311 Y N 7.104 127.370 120.300 -0.057 0.000 2.497 311 Y HA 0.321 4.872 4.550 0.002 0.000 0.334 311 Y C -0.260 175.472 175.900 -0.279 0.000 1.199 311 Y CA -0.019 57.974 58.100 -0.179 0.000 1.425 311 Y CB 0.861 39.153 38.460 -0.280 0.000 1.291 311 Y HN 0.263 nan 8.280 nan 0.000 0.562 312 V N 8.849 128.164 119.914 -0.999 0.000 2.305 312 V HA 0.288 4.410 4.120 0.003 0.000 0.275 312 V C -2.315 173.198 176.094 -0.969 0.000 1.020 312 V CA -2.013 59.878 62.300 -0.682 0.000 0.811 312 V CB 0.838 32.504 31.823 -0.263 0.000 1.031 312 V HN 0.715 nan 8.190 nan 0.000 0.439 313 P HA 0.174 nan 4.420 nan 0.000 0.268 313 P C 0.701 177.886 177.300 -0.192 0.000 1.205 313 P CA 0.593 63.433 63.100 -0.434 0.000 0.771 313 P CB 0.756 32.420 31.700 -0.059 0.000 0.858 314 A N 3.205 125.973 122.820 -0.086 0.000 2.774 314 A HA -0.271 4.051 4.320 0.003 0.000 0.290 314 A C 0.875 178.426 177.584 -0.055 0.000 1.484 314 A CA 1.344 53.362 52.037 -0.031 0.000 0.863 314 A CB -2.577 16.425 19.000 0.005 0.000 0.989 314 A HN 0.646 nan 8.150 nan 0.000 0.554 315 D N -1.814 118.518 120.400 -0.113 0.000 3.039 315 D HA -0.175 4.467 4.640 0.003 0.000 0.222 315 D C -0.222 176.042 176.300 -0.059 0.000 1.179 315 D CA 2.072 56.019 54.000 -0.088 0.000 0.880 315 D CB -1.039 39.736 40.800 -0.042 0.000 1.115 315 D HN 0.924 nan 8.370 nan 0.000 0.416 316 D N 0.138 120.503 120.400 -0.057 0.000 2.443 316 D HA 0.255 4.897 4.640 0.003 0.000 0.221 316 D C 1.421 177.721 176.300 0.000 0.000 1.097 316 D CA -0.446 53.543 54.000 -0.018 0.000 0.865 316 D CB 0.392 41.193 40.800 0.003 0.000 1.034 316 D HN 0.069 nan 8.370 nan 0.000 0.511 317 L N 2.541 123.771 121.223 0.011 0.000 2.353 317 L HA -0.098 4.244 4.340 0.003 0.000 0.220 317 L C 2.272 179.193 176.870 0.085 0.000 1.133 317 L CA 1.339 56.217 54.840 0.063 0.000 0.798 317 L CB -0.352 41.731 42.059 0.041 0.000 0.922 317 L HN 0.491 nan 8.230 nan 0.000 0.445 318 T N -4.563 110.014 114.554 0.039 0.000 3.148 318 T HA -0.068 4.284 4.350 0.003 0.000 0.253 318 T C 0.786 175.531 174.700 0.075 0.000 1.134 318 T CA -0.372 61.752 62.100 0.039 0.000 1.051 318 T CB -0.345 68.528 68.868 0.009 0.000 0.959 318 T HN 0.189 nan 8.240 nan 0.000 0.525 319 D N 2.694 123.150 120.400 0.093 0.000 2.493 319 D HA 0.032 4.674 4.640 0.003 0.000 0.240 319 D C -1.471 174.902 176.300 0.120 0.000 1.142 319 D CA -1.433 52.650 54.000 0.139 0.000 0.872 319 D CB 1.545 42.433 40.800 0.146 0.000 1.173 319 D HN 0.046 nan 8.370 nan 0.000 0.467 320 P HA -0.193 nan 4.420 nan 0.000 0.217 320 P C 0.855 178.092 177.300 -0.105 0.000 1.151 320 P CA 1.805 64.881 63.100 -0.040 0.000 0.849 320 P CB 0.159 31.784 31.700 -0.124 0.000 0.787 321 A N 0.162 122.871 122.820 -0.186 0.000 1.835 321 A HA -0.114 4.208 4.320 0.003 0.000 0.215 321 A C -0.004 177.675 177.584 0.158 0.000 1.199 321 A CA 2.212 54.232 52.037 -0.028 0.000 0.615 321 A CB -2.244 16.895 19.000 0.231 0.000 0.838 321 A HN 0.217 nan 8.150 nan 0.000 0.444 322 P HA -0.090 nan 4.420 nan 0.000 0.217 322 P C 1.599 179.101 177.300 0.336 0.000 1.151 322 P CA 1.920 65.183 63.100 0.271 0.000 0.828 322 P CB -0.206 31.656 31.700 0.270 0.000 0.788 323 A N 0.153 123.163 122.820 0.318 0.000 1.908 323 A HA -0.161 4.161 4.320 0.003 0.000 0.218 323 A C 2.286 180.072 177.584 0.336 0.000 1.181 323 A CA 2.517 54.775 52.037 0.367 0.000 0.627 323 A CB -1.998 17.104 19.000 0.169 0.000 0.818 323 A HN 0.215 nan 8.150 nan 0.000 0.445 324 T N -0.338 114.345 114.554 0.216 0.000 2.962 324 T HA -0.060 4.292 4.350 0.003 0.000 0.270 324 T C 1.795 176.663 174.700 0.279 0.000 1.088 324 T CA 1.660 63.876 62.100 0.194 0.000 1.127 324 T CB -0.336 68.607 68.868 0.126 0.000 0.883 324 T HN 0.580 nan 8.240 nan 0.000 0.493 325 T N 1.519 116.244 114.554 0.284 0.000 2.896 325 T HA 0.079 4.431 4.350 0.003 0.000 0.263 325 T C 1.513 176.397 174.700 0.307 0.000 1.050 325 T CA 0.560 62.819 62.100 0.265 0.000 1.140 325 T CB -0.453 68.473 68.868 0.098 0.000 0.877 325 T HN 0.319 nan 8.240 nan 0.000 0.457 326 F N 2.203 122.348 119.950 0.325 0.000 2.063 326 F HA -0.189 4.339 4.527 0.002 0.000 0.298 326 F C 2.722 178.599 175.800 0.129 0.000 1.109 326 F CA 1.232 59.384 58.000 0.253 0.000 1.212 326 F CB -0.699 38.334 39.000 0.055 0.000 0.973 326 F HN 0.139 nan 8.300 nan 0.000 0.480 327 A N -1.456 121.497 122.820 0.222 0.000 2.186 327 A HA -0.196 4.126 4.320 0.003 0.000 0.219 327 A C 1.592 179.114 177.584 -0.102 0.000 1.159 327 A CA 1.420 53.463 52.037 0.010 0.000 0.680 327 A CB -0.973 17.964 19.000 -0.104 0.000 0.787 327 A HN 0.510 nan 8.150 nan 0.000 0.467 328 H N -1.126 118.003 119.070 0.097 0.000 2.539 328 H HA 0.324 4.881 4.556 0.003 0.000 0.269 328 H C -0.050 175.294 175.328 0.025 0.000 0.980 328 H CA 0.279 56.352 56.048 0.041 0.000 1.152 328 H CB 0.011 29.777 29.762 0.007 0.000 1.407 328 H HN 0.363 nan 8.280 nan 0.000 0.564 329 L N 0.010 121.316 121.223 0.138 0.000 2.319 329 L HA 0.241 4.583 4.340 0.003 0.000 0.267 329 L C 0.710 177.631 176.870 0.085 0.000 1.011 329 L CA -0.624 54.275 54.840 0.097 0.000 0.818 329 L CB 1.898 44.032 42.059 0.124 0.000 1.316 329 L HN -0.119 nan 8.230 nan 0.000 0.432 330 D N 0.498 120.931 120.400 0.055 0.000 2.422 330 D HA 0.223 4.864 4.640 0.003 0.000 0.218 330 D C 0.189 176.541 176.300 0.087 0.000 1.047 330 D CA 0.500 54.536 54.000 0.059 0.000 0.885 330 D CB 1.219 42.039 40.800 0.034 0.000 1.035 330 D HN 0.507 nan 8.370 nan 0.000 0.502 331 A N 0.685 123.559 122.820 0.090 0.000 2.449 331 A HA 0.597 4.918 4.320 0.003 0.000 0.302 331 A C -0.472 177.215 177.584 0.172 0.000 1.048 331 A CA -0.567 51.565 52.037 0.157 0.000 0.708 331 A CB 1.573 20.724 19.000 0.251 0.000 1.274 331 A HN -0.025 nan 8.150 nan 0.000 0.410 332 T N -0.667 114.035 114.554 0.248 0.000 2.812 332 T HA 0.663 5.014 4.350 0.003 0.000 0.282 332 T C -0.528 174.367 174.700 0.326 0.000 0.990 332 T CA -0.467 61.830 62.100 0.328 0.000 0.960 332 T CB 1.197 70.318 68.868 0.421 0.000 0.948 332 T HN 0.474 nan 8.240 nan 0.000 0.438 333 T N 3.396 118.157 114.554 0.345 0.000 2.801 333 T HA 0.474 4.825 4.350 0.003 0.000 0.306 333 T C -0.011 174.880 174.700 0.318 0.000 1.020 333 T CA -0.553 61.733 62.100 0.309 0.000 0.948 333 T CB 0.687 69.754 68.868 0.330 0.000 0.962 333 T HN 0.637 nan 8.240 nan 0.000 0.465 334 V N 5.326 125.392 119.914 0.254 0.000 2.383 334 V HA 0.370 4.492 4.120 0.003 0.000 0.275 334 V C -0.248 175.940 176.094 0.157 0.000 1.036 334 V CA -0.862 61.572 62.300 0.224 0.000 0.889 334 V CB 1.053 32.956 31.823 0.135 0.000 0.985 334 V HN 0.590 nan 8.190 nan 0.000 0.459 335 L N 4.061 125.379 121.223 0.159 0.000 2.334 335 L HA 0.633 4.975 4.340 0.003 0.000 0.275 335 L C 0.270 177.185 176.870 0.076 0.000 1.036 335 L CA 0.391 55.301 54.840 0.116 0.000 0.807 335 L CB 1.744 43.884 42.059 0.134 0.000 1.231 335 L HN 0.706 nan 8.230 nan 0.000 0.438 336 S N 2.107 117.833 115.700 0.042 0.000 2.594 336 S HA 0.411 4.883 4.470 0.003 0.000 0.296 336 S C 0.931 175.529 174.600 -0.003 0.000 1.124 336 S CA -0.672 57.538 58.200 0.016 0.000 1.011 336 S CB 1.040 64.243 63.200 0.005 0.000 1.016 336 S HN 0.698 nan 8.310 nan 0.000 0.485 337 R N 3.448 123.948 120.500 0.001 0.000 2.091 337 R HA -0.099 4.242 4.340 0.003 0.000 0.238 337 R C 2.077 178.362 176.300 -0.026 0.000 1.136 337 R CA 1.938 58.035 56.100 -0.004 0.000 0.959 337 R CB -0.620 29.684 30.300 0.006 0.000 0.856 337 R HN 0.778 nan 8.270 nan 0.000 0.437 338 A N 0.662 123.467 122.820 -0.024 0.000 1.972 338 A HA -0.133 4.189 4.320 0.003 0.000 0.219 338 A C 2.058 179.615 177.584 -0.046 0.000 1.169 338 A CA 1.333 53.353 52.037 -0.029 0.000 0.635 338 A CB -0.362 18.625 19.000 -0.022 0.000 0.810 338 A HN 0.373 nan 8.150 nan 0.000 0.446 339 I N -0.855 119.681 120.570 -0.057 0.000 2.400 339 I HA -0.129 4.043 4.170 0.003 0.000 0.248 339 I C 2.935 178.942 176.117 -0.184 0.000 1.109 339 I CA 0.784 62.033 61.300 -0.084 0.000 1.425 339 I CB -0.391 37.575 38.000 -0.057 0.000 1.094 339 I HN 0.315 nan 8.210 nan 0.000 0.425 340 A N 0.599 123.282 122.820 -0.228 0.000 1.940 340 A HA -0.288 4.034 4.320 0.003 0.000 0.219 340 A C 2.284 179.690 177.584 -0.297 0.000 1.176 340 A CA 2.056 53.829 52.037 -0.440 0.000 0.631 340 A CB -0.708 18.173 19.000 -0.198 0.000 0.814 340 A HN 0.513 nan 8.150 nan 0.000 0.446 341 E N -0.343 119.780 120.200 -0.128 0.000 2.204 341 E HA -0.140 4.211 4.350 0.003 0.000 0.195 341 E C 1.184 177.747 176.600 -0.061 0.000 0.990 341 E CA 0.783 57.149 56.400 -0.058 0.000 0.821 341 E CB -0.067 29.614 29.700 -0.031 0.000 0.750 341 E HN 0.470 nan 8.360 nan 0.000 0.477 342 L N -0.406 120.762 121.223 -0.092 0.000 2.554 342 L HA 0.153 4.494 4.340 0.003 0.000 0.226 342 L C 1.665 178.488 176.870 -0.079 0.000 1.137 342 L CA 1.264 56.058 54.840 -0.076 0.000 0.863 342 L CB -0.810 41.211 42.059 -0.064 0.000 0.985 342 L HN 0.412 nan 8.230 nan 0.000 0.451 343 G N 0.382 109.116 108.800 -0.110 0.000 2.141 343 G HA2 -0.238 3.723 3.960 0.003 0.000 0.242 343 G HA3 -0.238 3.723 3.960 0.003 0.000 0.242 343 G C 0.340 175.270 174.900 0.050 0.000 0.982 343 G CA -0.313 44.792 45.100 0.008 0.000 0.662 343 G HN 0.197 nan 8.290 nan 0.000 0.527 344 I N 1.314 121.794 120.570 -0.150 0.000 2.294 344 I HA 0.397 4.569 4.170 0.003 0.000 0.295 344 I C 0.005 175.942 176.117 -0.300 0.000 1.098 344 I CA -0.496 60.770 61.300 -0.056 0.000 1.277 344 I CB -0.556 37.431 38.000 -0.022 0.000 1.434 344 I HN 0.112 nan 8.210 nan 0.000 0.498 345 Y N 7.316 127.593 120.300 -0.038 0.000 2.446 345 Y HA 0.410 4.962 4.550 0.003 0.000 0.345 345 Y C -1.975 173.739 175.900 -0.311 0.000 0.984 345 Y CA -2.437 55.566 58.100 -0.163 0.000 1.058 345 Y CB 2.055 40.402 38.460 -0.189 0.000 1.220 345 Y HN 0.405 nan 8.280 nan 0.000 0.455 346 P HA 0.043 nan 4.420 nan 0.000 0.271 346 P C -0.429 176.888 177.300 0.029 0.000 1.218 346 P CA -0.104 62.975 63.100 -0.034 0.000 0.780 346 P CB 1.099 32.819 31.700 0.034 0.000 0.901 347 A N 3.401 126.259 122.820 0.062 0.000 2.728 347 A HA 0.189 4.510 4.320 0.003 0.000 0.258 347 A C 0.542 178.142 177.584 0.027 0.000 1.454 347 A CA -0.273 51.747 52.037 -0.028 0.000 1.146 347 A CB -1.140 17.824 19.000 -0.059 0.000 0.985 347 A HN 0.377 nan 8.150 nan 0.000 0.603 348 V N 1.364 121.308 119.914 0.050 0.000 2.521 348 V HA 0.016 4.137 4.120 0.003 0.000 0.286 348 V C 0.409 176.528 176.094 0.041 0.000 1.034 348 V CA -0.366 61.975 62.300 0.068 0.000 1.045 348 V CB 0.898 32.770 31.823 0.081 0.000 0.974 348 V HN 0.559 nan 8.190 nan 0.000 0.480 349 D N 8.410 128.838 120.400 0.046 0.000 2.344 349 D HA 0.140 4.782 4.640 0.003 0.000 0.253 349 D C -1.234 175.081 176.300 0.024 0.000 1.255 349 D CA -1.936 52.081 54.000 0.029 0.000 0.894 349 D CB 1.716 42.531 40.800 0.026 0.000 1.067 349 D HN 0.296 nan 8.370 nan 0.000 0.492 350 P HA -0.033 nan 4.420 nan 0.000 0.233 350 P C 0.880 178.172 177.300 -0.014 0.000 1.167 350 P CA 0.499 63.594 63.100 -0.009 0.000 0.770 350 P CB 0.330 32.017 31.700 -0.022 0.000 0.837 351 L N -0.813 120.406 121.223 -0.006 0.000 2.965 351 L HA 0.343 4.685 4.340 0.003 0.000 0.254 351 L C 0.661 177.520 176.870 -0.019 0.000 1.220 351 L CA 0.251 55.082 54.840 -0.015 0.000 1.023 351 L CB 0.011 42.062 42.059 -0.014 0.000 1.355 351 L HN -0.182 nan 8.230 nan 0.000 0.545 352 D N -0.729 119.668 120.400 -0.005 0.000 2.704 352 D HA 0.116 4.758 4.640 0.003 0.000 0.291 352 D C -0.394 175.925 176.300 0.032 0.000 1.610 352 D CA 0.195 54.190 54.000 -0.010 0.000 0.807 352 D CB 0.812 41.600 40.800 -0.020 0.000 1.233 352 D HN -0.106 nan 8.370 nan 0.000 0.445 353 S N -0.147 115.581 115.700 0.046 0.000 2.502 353 S HA 0.731 5.203 4.470 0.003 0.000 0.304 353 S C -0.222 174.426 174.600 0.080 0.000 1.097 353 S CA -0.639 57.617 58.200 0.094 0.000 1.045 353 S CB 1.860 65.120 63.200 0.099 0.000 1.019 353 S HN 0.270 nan 8.310 nan 0.000 0.481 354 T N -0.892 113.733 114.554 0.119 0.000 2.901 354 T HA 0.840 5.192 4.350 0.003 0.000 0.293 354 T C -0.731 174.044 174.700 0.125 0.000 1.084 354 T CA -0.886 61.272 62.100 0.096 0.000 1.008 354 T CB 1.885 70.802 68.868 0.081 0.000 1.170 354 T HN 0.441 nan 8.240 nan 0.000 0.509 355 S N -0.557 115.202 115.700 0.097 0.000 2.603 355 S HA 0.358 4.830 4.470 0.003 0.000 0.274 355 S C 0.749 175.397 174.600 0.079 0.000 1.168 355 S CA -0.766 57.498 58.200 0.107 0.000 0.963 355 S CB 1.747 65.014 63.200 0.111 0.000 1.078 355 S HN 0.932 nan 8.310 nan 0.000 0.477 356 R N 2.992 123.538 120.500 0.077 0.000 2.170 356 R HA -0.088 4.254 4.340 0.003 0.000 0.242 356 R C 1.696 178.024 176.300 0.047 0.000 1.145 356 R CA 2.379 58.513 56.100 0.057 0.000 0.984 356 R CB -0.485 29.846 30.300 0.052 0.000 0.869 356 R HN 0.842 nan 8.270 nan 0.000 0.455 357 I N -2.004 118.596 120.570 0.049 0.000 3.684 357 I HA 0.143 4.315 4.170 0.003 0.000 0.304 357 I C 0.419 176.546 176.117 0.016 0.000 1.278 357 I CA -0.227 61.091 61.300 0.030 0.000 1.272 357 I CB 0.108 38.128 38.000 0.034 0.000 1.029 357 I HN -0.007 nan 8.210 nan 0.000 0.458 358 M N 3.386 123.008 119.600 0.036 0.000 3.042 358 M HA 0.289 4.770 4.480 0.003 0.000 0.283 358 M C -0.935 175.479 176.300 0.190 0.000 1.473 358 M CA -0.139 55.195 55.300 0.057 0.000 1.583 358 M CB -1.389 31.231 32.600 0.034 0.000 1.221 358 M HN 0.340 nan 8.290 nan 0.000 0.518 359 D N 5.151 125.634 120.400 0.138 0.000 2.878 359 D HA 0.301 4.943 4.640 0.003 0.000 0.211 359 D C -2.614 173.599 176.300 -0.145 0.000 1.271 359 D CA -1.060 52.912 54.000 -0.046 0.000 0.845 359 D CB 2.236 43.010 40.800 -0.044 0.000 1.679 359 D HN 0.174 nan 8.370 nan 0.000 0.536 360 P HA -0.079 nan 4.420 nan 0.000 0.220 360 P C 0.749 177.977 177.300 -0.121 0.000 1.148 360 P CA 0.717 63.659 63.100 -0.263 0.000 0.803 360 P CB 0.467 31.913 31.700 -0.424 0.000 0.782 361 N N -0.460 118.164 118.700 -0.127 0.000 2.459 361 N HA 0.002 4.744 4.740 0.003 0.000 0.181 361 N C 1.809 177.298 175.510 -0.035 0.000 1.046 361 N CA 0.806 53.815 53.050 -0.068 0.000 0.904 361 N CB -0.120 38.326 38.487 -0.068 0.000 0.964 361 N HN 0.331 nan 8.380 nan 0.000 0.444 362 I N -0.321 120.229 120.570 -0.033 0.000 3.132 362 I HA -0.061 4.111 4.170 0.003 0.000 0.255 362 I C 1.897 178.019 176.117 0.009 0.000 1.118 362 I CA 0.282 61.577 61.300 -0.008 0.000 1.463 362 I CB -0.055 37.941 38.000 -0.006 0.000 1.356 362 I HN -0.127 nan 8.210 nan 0.000 0.463 363 V N -0.681 119.230 119.914 -0.004 0.000 3.461 363 V HA 0.482 4.604 4.120 0.003 0.000 0.267 363 V C 0.891 177.039 176.094 0.090 0.000 1.186 363 V CA 0.234 62.547 62.300 0.021 0.000 1.154 363 V CB -1.311 30.390 31.823 -0.203 0.000 0.802 363 V HN 0.549 nan 8.190 nan 0.000 0.474 364 G N 0.771 109.606 108.800 0.058 0.000 2.690 364 G HA2 -0.123 3.838 3.960 0.003 0.000 0.686 364 G HA3 -0.123 3.838 3.960 0.003 0.000 0.686 364 G C 0.432 175.394 174.900 0.104 0.000 1.277 364 G CA 0.354 45.499 45.100 0.074 0.000 0.799 364 G HN 1.378 nan 8.290 nan 0.000 0.613 365 S N -0.601 115.150 115.700 0.085 0.000 2.406 365 S HA -0.031 4.441 4.470 0.003 0.000 0.228 365 S C 1.806 176.507 174.600 0.168 0.000 1.020 365 S CA 1.774 60.040 58.200 0.111 0.000 0.965 365 S CB -0.022 63.214 63.200 0.060 0.000 0.798 365 S HN 0.937 nan 8.310 nan 0.000 0.488 366 E N 0.716 121.004 120.200 0.147 0.000 2.072 366 E HA -0.247 4.105 4.350 0.003 0.000 0.191 366 E C 2.042 178.764 176.600 0.202 0.000 0.985 366 E CA 1.242 57.730 56.400 0.147 0.000 0.801 366 E CB -0.383 29.385 29.700 0.113 0.000 0.750 366 E HN 0.880 nan 8.360 nan 0.000 0.452 367 H N -1.503 117.628 119.070 0.101 0.000 2.326 367 H HA -0.188 4.370 4.556 0.003 0.000 0.301 367 H C 2.105 177.489 175.328 0.093 0.000 1.081 367 H CA 1.438 57.539 56.048 0.090 0.000 1.334 367 H CB -0.085 29.728 29.762 0.084 0.000 1.385 367 H HN 0.257 nan 8.280 nan 0.000 0.504 368 Y N 1.790 122.146 120.300 0.092 0.000 2.097 368 Y HA -0.280 4.271 4.550 0.003 0.000 0.282 368 Y C 2.099 178.027 175.900 0.047 0.000 1.152 368 Y CA 2.143 60.245 58.100 0.004 0.000 1.136 368 Y CB -0.396 38.051 38.460 -0.022 0.000 0.975 368 Y HN 0.330 nan 8.280 nan 0.000 0.498 369 D N -0.603 119.912 120.400 0.193 0.000 2.123 369 D HA -0.187 4.454 4.640 0.003 0.000 0.196 369 D C 2.408 178.724 176.300 0.027 0.000 0.992 369 D CA 1.743 55.806 54.000 0.105 0.000 0.833 369 D CB -0.569 40.316 40.800 0.141 0.000 0.954 369 D HN 0.312 nan 8.370 nan 0.000 0.455 370 V N 1.309 121.264 119.914 0.068 0.000 2.343 370 V HA -0.236 3.886 4.120 0.003 0.000 0.247 370 V C 2.503 178.598 176.094 0.002 0.000 1.051 370 V CA 1.800 64.139 62.300 0.064 0.000 1.036 370 V CB -0.814 31.076 31.823 0.112 0.000 0.654 370 V HN 0.192 nan 8.190 nan 0.000 0.451 371 A N -0.117 122.688 122.820 -0.025 0.000 1.877 371 A HA -0.188 4.134 4.320 0.003 0.000 0.216 371 A C 2.334 179.816 177.584 -0.171 0.000 1.186 371 A CA 1.499 53.474 52.037 -0.103 0.000 0.620 371 A CB -0.430 18.512 19.000 -0.097 0.000 0.822 371 A HN 0.389 nan 8.150 nan 0.000 0.443 372 R N -0.483 119.865 120.500 -0.254 0.000 2.092 372 R HA -0.060 4.282 4.340 0.003 0.000 0.231 372 R C 2.338 178.573 176.300 -0.109 0.000 1.119 372 R CA 1.195 57.154 56.100 -0.235 0.000 0.970 372 R CB -1.616 28.480 30.300 -0.340 0.000 0.864 372 R HN 0.529 nan 8.270 nan 0.000 0.440 373 G N 0.355 109.115 108.800 -0.067 0.000 2.418 373 G HA2 -0.193 3.768 3.960 0.003 0.000 0.217 373 G HA3 -0.193 3.768 3.960 0.003 0.000 0.217 373 G C 1.583 176.475 174.900 -0.013 0.000 1.158 373 G CA 0.740 45.829 45.100 -0.019 0.000 0.771 373 G HN 0.165 nan 8.290 nan 0.000 0.545 374 V N 0.507 120.404 119.914 -0.028 0.000 2.295 374 V HA -0.259 3.863 4.120 0.003 0.000 0.246 374 V C 2.934 179.004 176.094 -0.041 0.000 1.049 374 V CA 2.346 64.626 62.300 -0.034 0.000 1.024 374 V CB -0.581 31.167 31.823 -0.125 0.000 0.648 374 V HN 0.435 nan 8.190 nan 0.000 0.447 375 Q N -0.528 119.233 119.800 -0.066 0.000 2.124 375 Q HA -0.245 4.096 4.340 0.003 0.000 0.202 375 Q C 2.384 178.370 176.000 -0.024 0.000 0.977 375 Q CA 1.708 57.480 55.803 -0.051 0.000 0.850 375 Q CB -0.207 28.486 28.738 -0.074 0.000 0.901 375 Q HN 0.562 nan 8.270 nan 0.000 0.429 376 K N 0.959 121.345 120.400 -0.024 0.000 2.025 376 K HA -0.142 4.180 4.320 0.003 0.000 0.207 376 K C 2.001 178.610 176.600 0.015 0.000 1.049 376 K CA 1.026 57.309 56.287 -0.006 0.000 0.933 376 K CB -0.151 32.345 32.500 -0.007 0.000 0.714 376 K HN 0.188 nan 8.250 nan 0.000 0.438 377 I N 1.133 121.715 120.570 0.019 0.000 2.361 377 I HA -0.264 3.908 4.170 0.003 0.000 0.251 377 I C 1.804 177.964 176.117 0.070 0.000 1.133 377 I CA 0.956 62.278 61.300 0.037 0.000 1.413 377 I CB 0.143 38.157 38.000 0.023 0.000 1.073 377 I HN 0.226 nan 8.210 nan 0.000 0.424 378 L N -0.181 121.078 121.223 0.061 0.000 2.131 378 L HA -0.177 4.165 4.340 0.003 0.000 0.206 378 L C 2.496 179.430 176.870 0.106 0.000 1.087 378 L CA 0.833 55.735 54.840 0.103 0.000 0.767 378 L CB -0.521 41.576 42.059 0.063 0.000 0.917 378 L HN 0.262 nan 8.230 nan 0.000 0.441 379 Q N 0.422 120.252 119.800 0.051 0.000 2.079 379 Q HA -0.199 4.142 4.340 0.003 0.000 0.200 379 Q C 1.707 177.724 176.000 0.029 0.000 0.974 379 Q CA 1.731 57.549 55.803 0.025 0.000 0.840 379 Q CB -0.050 28.690 28.738 0.004 0.000 0.898 379 Q HN 0.332 nan 8.270 nan 0.000 0.430 380 D N -0.744 119.685 120.400 0.047 0.000 2.104 380 D HA -0.196 4.445 4.640 0.003 0.000 0.194 380 D C 1.589 177.938 176.300 0.081 0.000 0.994 380 D CA 1.373 55.404 54.000 0.051 0.000 0.830 380 D CB -0.530 40.302 40.800 0.053 0.000 0.959 380 D HN 0.365 nan 8.370 nan 0.000 0.452 381 Y N 1.654 121.947 120.300 -0.010 0.000 2.165 381 Y HA -0.210 4.342 4.550 0.003 0.000 0.286 381 Y C 2.228 178.121 175.900 -0.012 0.000 1.155 381 Y CA 1.714 59.808 58.100 -0.010 0.000 1.164 381 Y CB -0.179 38.275 38.460 -0.010 0.000 0.978 381 Y HN -0.153 nan 8.280 nan 0.000 0.513 382 K N -0.605 119.715 120.400 -0.134 0.000 2.057 382 K HA -0.146 4.176 4.320 0.003 0.000 0.207 382 K C 2.216 178.702 176.600 -0.190 0.000 1.049 382 K CA 1.726 57.885 56.287 -0.213 0.000 0.931 382 K CB -0.304 32.152 32.500 -0.075 0.000 0.714 382 K HN 0.245 nan 8.250 nan 0.000 0.440 383 S N 0.650 116.284 115.700 -0.110 0.000 2.481 383 S HA 0.014 4.486 4.470 0.003 0.000 0.231 383 S C 1.609 176.153 174.600 -0.094 0.000 0.996 383 S CA 0.625 58.775 58.200 -0.084 0.000 0.942 383 S CB -0.019 63.154 63.200 -0.045 0.000 0.768 383 S HN 0.253 nan 8.310 nan 0.000 0.520 384 L N 0.696 121.847 121.223 -0.121 0.000 2.249 384 L HA -0.009 4.333 4.340 0.003 0.000 0.207 384 L C 2.485 179.262 176.870 -0.155 0.000 1.090 384 L CA 0.539 55.318 54.840 -0.101 0.000 0.802 384 L CB -0.431 41.607 42.059 -0.035 0.000 0.947 384 L HN 0.287 nan 8.230 nan 0.000 0.453 385 Q N 0.535 120.153 119.800 -0.305 0.000 1.914 385 Q HA -0.300 4.042 4.340 0.003 0.000 0.222 385 Q C 1.749 177.660 176.000 -0.149 0.000 1.031 385 Q CA 2.380 58.000 55.803 -0.305 0.000 0.886 385 Q CB -0.233 28.275 28.738 -0.383 0.000 0.982 385 Q HN 0.456 nan 8.270 nan 0.000 0.417 386 D N 0.049 120.372 120.400 -0.127 0.000 2.190 386 D HA -0.171 4.471 4.640 0.003 0.000 0.200 386 D C 1.882 178.148 176.300 -0.058 0.000 0.992 386 D CA 1.092 55.044 54.000 -0.079 0.000 0.854 386 D CB -0.253 40.505 40.800 -0.070 0.000 0.936 386 D HN 0.338 nan 8.370 nan 0.000 0.462 387 I N 1.233 121.767 120.570 -0.060 0.000 2.202 387 I HA -0.202 3.969 4.170 0.003 0.000 0.242 387 I C 2.534 178.633 176.117 -0.030 0.000 1.091 387 I CA 0.888 62.164 61.300 -0.040 0.000 1.368 387 I CB -0.232 37.745 38.000 -0.038 0.000 1.058 387 I HN 0.013 nan 8.210 nan 0.000 0.410 388 I N -1.435 119.116 120.570 -0.033 0.000 3.251 388 I HA 0.118 4.289 4.170 0.003 0.000 0.277 388 I C 2.297 178.407 176.117 -0.011 0.000 1.268 388 I CA 0.747 62.039 61.300 -0.014 0.000 1.449 388 I CB -0.323 37.679 38.000 0.003 0.000 1.083 388 I HN -0.015 nan 8.210 nan 0.000 0.464 389 A N 1.208 124.014 122.820 -0.023 0.000 2.168 389 A HA 0.181 4.503 4.320 0.003 0.000 0.215 389 A C 2.142 179.718 177.584 -0.014 0.000 1.152 389 A CA 1.135 53.161 52.037 -0.018 0.000 0.716 389 A CB -0.450 18.532 19.000 -0.030 0.000 0.794 389 A HN 0.586 nan 8.150 nan 0.000 0.465 390 I N -2.050 118.511 120.570 -0.015 0.000 3.812 390 I HA 0.104 4.276 4.170 0.003 0.000 0.292 390 I C 1.578 177.690 176.117 -0.008 0.000 1.206 390 I CA 0.345 61.639 61.300 -0.011 0.000 1.370 390 I CB 0.294 38.285 38.000 -0.014 0.000 1.328 390 I HN 0.145 nan 8.210 nan 0.000 0.453 391 L N 0.695 121.913 121.223 -0.008 0.000 2.567 391 L HA 0.349 4.691 4.340 0.003 0.000 0.225 391 L C 0.767 177.637 176.870 -0.001 0.000 1.119 391 L CA 0.163 55.000 54.840 -0.004 0.000 0.871 391 L CB -0.290 41.766 42.059 -0.005 0.000 1.036 391 L HN 0.365 nan 8.230 nan 0.000 0.459 392 G N -0.448 108.352 108.800 0.001 0.000 2.690 392 G HA2 -0.269 3.692 3.960 0.003 0.000 0.686 392 G HA3 -0.269 3.692 3.960 0.003 0.000 0.686 392 G C -0.108 174.798 174.900 0.010 0.000 1.277 392 G CA -0.100 45.003 45.100 0.006 0.000 0.799 392 G HN -0.052 nan 8.290 nan 0.000 0.613 393 M N 0.134 119.743 119.600 0.015 0.000 2.156 393 M HA 0.130 4.611 4.480 0.003 0.000 0.264 393 M C 1.915 178.225 176.300 0.017 0.000 1.067 393 M CA 2.435 57.748 55.300 0.021 0.000 1.131 393 M CB -0.291 32.324 32.600 0.024 0.000 1.368 393 M HN 0.541 nan 8.290 nan 0.000 0.416 394 D N 0.352 120.760 120.400 0.013 0.000 2.384 394 D HA -0.119 4.523 4.640 0.003 0.000 0.222 394 D C 1.379 177.685 176.300 0.009 0.000 0.976 394 D CA 0.675 54.681 54.000 0.011 0.000 0.915 394 D CB -0.168 40.638 40.800 0.009 0.000 0.896 394 D HN 0.439 nan 8.370 nan 0.000 0.523 395 E N -0.185 120.020 120.200 0.009 0.000 2.489 395 E HA 0.082 4.433 4.350 0.003 0.000 0.193 395 E C 0.754 177.359 176.600 0.009 0.000 1.057 395 E CA -0.089 56.316 56.400 0.008 0.000 0.866 395 E CB 0.514 30.218 29.700 0.005 0.000 0.916 395 E HN 0.356 nan 8.360 nan 0.000 0.500 396 L N 0.815 122.046 121.223 0.013 0.000 2.418 396 L HA 0.109 4.451 4.340 0.003 0.000 0.265 396 L C 0.900 177.778 176.870 0.013 0.000 1.143 396 L CA -0.231 54.618 54.840 0.015 0.000 0.809 396 L CB 1.047 43.119 42.059 0.023 0.000 1.124 396 L HN -0.108 nan 8.230 nan 0.000 0.456 397 S N 0.463 116.171 115.700 0.013 0.000 2.585 397 S HA 0.041 4.513 4.470 0.003 0.000 0.273 397 S C 0.961 175.568 174.600 0.012 0.000 1.339 397 S CA -0.595 57.612 58.200 0.011 0.000 1.028 397 S CB 0.686 63.892 63.200 0.010 0.000 0.906 397 S HN 0.586 nan 8.310 nan 0.000 0.528 398 E N 2.270 122.476 120.200 0.010 0.000 2.515 398 E HA -0.061 4.291 4.350 0.003 0.000 0.201 398 E C 0.883 177.489 176.600 0.009 0.000 1.071 398 E CA 0.744 57.149 56.400 0.009 0.000 0.880 398 E CB 0.080 29.785 29.700 0.007 0.000 0.828 398 E HN 0.686 nan 8.360 nan 0.000 0.540 399 E N -0.321 119.885 120.200 0.010 0.000 2.399 399 E HA 0.016 4.368 4.350 0.003 0.000 0.205 399 E C 1.309 177.917 176.600 0.013 0.000 0.906 399 E CA -0.111 56.295 56.400 0.009 0.000 0.998 399 E CB 0.400 30.105 29.700 0.008 0.000 1.002 399 E HN 0.108 nan 8.360 nan 0.000 0.501 400 D N 1.995 122.405 120.400 0.017 0.000 2.123 400 D HA -0.136 4.506 4.640 0.003 0.000 0.200 400 D C 1.730 178.049 176.300 0.031 0.000 0.976 400 D CA 1.104 55.119 54.000 0.025 0.000 0.831 400 D CB 0.122 40.937 40.800 0.025 0.000 0.974 400 D HN 0.198 nan 8.370 nan 0.000 0.469 401 K N 0.396 120.811 120.400 0.025 0.000 2.439 401 K HA -0.044 4.278 4.320 0.003 0.000 0.197 401 K C 1.949 178.554 176.600 0.008 0.000 1.041 401 K CA 0.313 56.615 56.287 0.024 0.000 0.970 401 K CB 0.010 32.523 32.500 0.021 0.000 0.773 401 K HN -0.010 nan 8.250 nan 0.000 0.479 402 L N 2.475 123.701 121.223 0.005 0.000 2.179 402 L HA -0.063 4.279 4.340 0.003 0.000 0.208 402 L C 2.387 179.246 176.870 -0.019 0.000 1.096 402 L CA 1.848 56.683 54.840 -0.007 0.000 0.779 402 L CB -0.464 41.594 42.059 -0.002 0.000 0.922 402 L HN 0.505 nan 8.230 nan 0.000 0.443 403 T N -5.000 109.552 114.554 -0.004 0.000 2.904 403 T HA -0.090 4.262 4.350 0.003 0.000 0.267 403 T C 1.862 176.540 174.700 -0.037 0.000 1.059 403 T CA 1.221 63.318 62.100 -0.006 0.000 1.137 403 T CB -0.742 68.143 68.868 0.028 0.000 0.879 403 T HN 0.063 nan 8.240 nan 0.000 0.467 404 V N 2.896 122.799 119.914 -0.017 0.000 2.237 404 V HA -0.182 3.940 4.120 0.003 0.000 0.245 404 V C 3.265 179.226 176.094 -0.222 0.000 1.046 404 V CA 2.223 64.473 62.300 -0.082 0.000 1.007 404 V CB -1.175 30.681 31.823 0.056 0.000 0.638 404 V HN 0.785 nan 8.190 nan 0.000 0.445 405 S N 0.722 116.347 115.700 -0.125 0.000 2.359 405 S HA -0.265 4.207 4.470 0.003 0.000 0.224 405 S C 2.072 176.562 174.600 -0.183 0.000 1.035 405 S CA 1.626 59.746 58.200 -0.133 0.000 1.018 405 S CB -0.579 62.579 63.200 -0.071 0.000 0.876 405 S HN 0.560 nan 8.310 nan 0.000 0.448 406 R N 1.539 121.947 120.500 -0.154 0.000 2.081 406 R HA 0.077 4.418 4.340 0.003 0.000 0.235 406 R C 2.825 179.010 176.300 -0.192 0.000 1.131 406 R CA 1.272 57.273 56.100 -0.166 0.000 0.960 406 R CB -0.855 29.389 30.300 -0.094 0.000 0.856 406 R HN 0.592 nan 8.270 nan 0.000 0.436 407 A N 1.312 124.004 122.820 -0.214 0.000 1.902 407 A HA -0.165 4.157 4.320 0.003 0.000 0.217 407 A C 2.092 179.486 177.584 -0.316 0.000 1.181 407 A CA 1.221 53.111 52.037 -0.244 0.000 0.623 407 A CB -0.341 18.471 19.000 -0.314 0.000 0.818 407 A HN 0.218 nan 8.150 nan 0.000 0.443 408 R N -0.419 119.820 120.500 -0.435 0.000 2.148 408 R HA -0.043 4.298 4.340 0.003 0.000 0.227 408 R C 2.041 178.225 176.300 -0.193 0.000 1.103 408 R CA 1.381 57.282 56.100 -0.333 0.000 0.983 408 R CB -0.169 29.937 30.300 -0.322 0.000 0.874 408 R HN 0.503 nan 8.270 nan 0.000 0.451 409 K N 0.312 120.553 120.400 -0.265 0.000 2.103 409 K HA -0.023 4.299 4.320 0.003 0.000 0.204 409 K C 1.927 178.370 176.600 -0.260 0.000 1.052 409 K CA 0.958 56.996 56.287 -0.415 0.000 0.945 409 K CB 0.063 32.057 32.500 -0.843 0.000 0.722 409 K HN 0.134 nan 8.250 nan 0.000 0.443 410 I N 1.356 121.857 120.570 -0.116 0.000 2.353 410 I HA -0.243 3.928 4.170 0.003 0.000 0.248 410 I C 2.259 178.515 176.117 0.231 0.000 1.119 410 I CA 1.089 62.479 61.300 0.150 0.000 1.417 410 I CB -0.087 38.010 38.000 0.162 0.000 1.078 410 I HN 0.198 nan 8.210 nan 0.000 0.421 411 Q N 0.380 120.235 119.800 0.091 0.000 2.135 411 Q HA -0.220 4.122 4.340 0.003 0.000 0.204 411 Q C 2.287 178.380 176.000 0.155 0.000 0.981 411 Q CA 1.475 57.338 55.803 0.101 0.000 0.856 411 Q CB -0.102 28.662 28.738 0.044 0.000 0.902 411 Q HN 0.496 nan 8.270 nan 0.000 0.425 412 R N -0.729 119.878 120.500 0.178 0.000 2.100 412 R HA -0.026 4.316 4.340 0.003 0.000 0.220 412 R C 1.860 178.333 176.300 0.287 0.000 1.091 412 R CA 0.622 56.883 56.100 0.269 0.000 0.986 412 R CB -0.128 30.352 30.300 0.300 0.000 0.888 412 R HN 0.133 nan 8.270 nan 0.000 0.444 413 F N 1.256 121.288 119.950 0.136 0.000 2.451 413 F HA 0.010 4.539 4.527 0.003 0.000 0.299 413 F C 1.439 177.366 175.800 0.212 0.000 1.101 413 F CA 0.900 58.941 58.000 0.068 0.000 1.436 413 F CB 0.073 38.977 39.000 -0.160 0.000 1.074 413 F HN -0.081 nan 8.300 nan 0.000 0.553 414 L N -0.458 120.946 121.223 0.302 0.000 2.291 414 L HA -0.047 4.295 4.340 0.003 0.000 0.214 414 L C 1.573 178.465 176.870 0.037 0.000 1.120 414 L CA 0.449 55.415 54.840 0.209 0.000 0.799 414 L CB -0.802 41.352 42.059 0.159 0.000 0.925 414 L HN 0.133 nan 8.230 nan 0.000 0.446 415 S N -0.317 115.391 115.700 0.014 0.000 2.600 415 S HA 0.328 4.799 4.470 0.003 0.000 0.265 415 S C -0.293 174.210 174.600 -0.162 0.000 1.325 415 S CA -0.466 57.690 58.200 -0.075 0.000 1.002 415 S CB 1.763 64.918 63.200 -0.076 0.000 0.921 415 S HN 0.277 nan 8.310 nan 0.000 0.554 416 Q N 0.456 120.131 119.800 -0.209 0.000 2.443 416 Q HA 0.331 4.673 4.340 0.003 0.000 0.258 416 Q C -3.114 172.772 176.000 -0.191 0.000 0.967 416 Q CA -1.697 54.007 55.803 -0.166 0.000 0.951 416 Q CB 2.134 30.862 28.738 -0.016 0.000 1.459 416 Q HN 0.562 nan 8.270 nan 0.000 0.415 417 P HA 0.095 nan 4.420 nan 0.000 0.271 417 P C -0.921 176.515 177.300 0.226 0.000 1.233 417 P CA 0.509 63.596 63.100 -0.021 0.000 0.764 417 P CB 0.080 31.762 31.700 -0.030 0.000 0.825 418 F N 1.527 121.487 119.950 0.015 0.000 2.379 418 F HA 0.166 4.695 4.527 0.003 0.000 0.332 418 F C 2.281 178.090 175.800 0.016 0.000 1.096 418 F CA -0.757 57.255 58.000 0.021 0.000 1.105 418 F CB 1.714 40.740 39.000 0.043 0.000 1.189 418 F HN 0.363 nan 8.300 nan 0.000 0.515 419 Q N 1.524 121.413 119.800 0.150 0.000 2.084 419 Q HA -0.122 4.220 4.340 0.003 0.000 0.202 419 Q C 1.502 177.534 176.000 0.053 0.000 0.978 419 Q CA 1.513 57.354 55.803 0.063 0.000 0.844 419 Q CB -0.012 28.729 28.738 0.005 0.000 0.898 419 Q HN 0.613 nan 8.270 nan 0.000 0.426 420 V N 0.599 120.555 119.914 0.070 0.000 3.141 420 V HA -0.081 4.041 4.120 0.003 0.000 0.265 420 V C 1.582 177.737 176.094 0.102 0.000 1.126 420 V CA 1.343 63.681 62.300 0.065 0.000 1.141 420 V CB -0.235 31.627 31.823 0.064 0.000 0.743 420 V HN 0.472 nan 8.190 nan 0.000 0.492 421 A N -0.960 121.965 122.820 0.176 0.000 2.465 421 A HA 0.199 4.521 4.320 0.003 0.000 0.255 421 A C 1.738 179.340 177.584 0.031 0.000 1.274 421 A CA -0.123 52.041 52.037 0.211 0.000 0.920 421 A CB -0.160 19.023 19.000 0.306 0.000 1.033 421 A HN 0.518 nan 8.150 nan 0.000 0.516 422 E N 0.179 120.354 120.200 -0.041 0.000 2.110 422 E HA -0.172 4.180 4.350 0.003 0.000 0.193 422 E C 1.847 178.350 176.600 -0.161 0.000 0.988 422 E CA 1.642 58.007 56.400 -0.060 0.000 0.804 422 E CB -0.367 29.304 29.700 -0.048 0.000 0.745 422 E HN 0.631 nan 8.360 nan 0.000 0.458 423 V N -1.470 118.229 119.914 -0.358 0.000 3.026 423 V HA -0.167 3.955 4.120 0.003 0.000 0.265 423 V C 1.510 177.304 176.094 -0.501 0.000 1.121 423 V CA 1.418 63.427 62.300 -0.486 0.000 1.142 423 V CB -0.867 30.552 31.823 -0.674 0.000 0.730 423 V HN 0.158 nan 8.190 nan 0.000 0.503 424 F N 1.186 121.120 119.950 -0.027 0.000 2.637 424 F HA 0.128 4.657 4.527 0.003 0.000 0.284 424 F C 2.545 178.332 175.800 -0.022 0.000 1.105 424 F CA 0.682 58.655 58.000 -0.045 0.000 1.356 424 F CB -0.194 38.740 39.000 -0.110 0.000 1.096 424 F HN 0.206 nan 8.300 nan 0.000 0.616 425 T N -3.311 111.329 114.554 0.142 0.000 3.040 425 T HA 0.333 4.685 4.350 0.003 0.000 0.252 425 T C 1.956 176.674 174.700 0.030 0.000 1.064 425 T CA 0.744 62.946 62.100 0.171 0.000 1.110 425 T CB 0.084 69.105 68.868 0.255 0.000 0.921 425 T HN 0.400 nan 8.240 nan 0.000 0.480 426 G N 1.245 110.015 108.800 -0.049 0.000 2.189 426 G HA2 -0.251 3.710 3.960 0.003 0.000 0.267 426 G HA3 -0.251 3.710 3.960 0.003 0.000 0.267 426 G C -0.069 174.682 174.900 -0.247 0.000 0.975 426 G CA 0.580 45.583 45.100 -0.161 0.000 0.644 426 G HN 0.807 nan 8.290 nan 0.000 0.537 427 H N -1.302 117.765 119.070 -0.005 0.000 2.533 427 H HA 0.672 5.229 4.556 0.003 0.000 0.343 427 H C 0.177 175.500 175.328 -0.008 0.000 1.160 427 H CA -1.000 55.042 56.048 -0.010 0.000 1.218 427 H CB 1.504 31.253 29.762 -0.021 0.000 1.566 427 H HN 0.152 nan 8.280 nan 0.000 0.522 428 L N 1.499 122.796 121.223 0.124 0.000 2.397 428 L HA 0.255 4.596 4.340 0.003 0.000 0.271 428 L C 0.935 177.849 176.870 0.074 0.000 1.148 428 L CA 0.309 55.189 54.840 0.067 0.000 0.825 428 L CB 0.580 42.665 42.059 0.042 0.000 1.117 428 L HN 0.857 nan 8.230 nan 0.000 0.456 429 G N 3.767 112.604 108.800 0.062 0.000 2.380 429 G HA2 0.232 4.193 3.960 0.003 0.000 0.242 429 G HA3 0.232 4.193 3.960 0.003 0.000 0.242 429 G C -0.438 174.496 174.900 0.056 0.000 1.298 429 G CA -0.448 44.699 45.100 0.078 0.000 0.878 429 G HN 0.435 nan 8.290 nan 0.000 0.542 430 K N 1.306 121.748 120.400 0.071 0.000 2.324 430 K HA 0.462 4.784 4.320 0.003 0.000 0.253 430 K C -1.039 175.585 176.600 0.040 0.000 0.932 430 K CA -0.736 55.576 56.287 0.041 0.000 0.799 430 K CB 2.745 35.257 32.500 0.019 0.000 1.154 430 K HN 0.400 nan 8.250 nan 0.000 0.425 431 L N 2.232 123.464 121.223 0.015 0.000 2.356 431 L HA 0.454 4.796 4.340 0.003 0.000 0.277 431 L C -1.257 175.616 176.870 0.004 0.000 0.996 431 L CA -0.877 53.965 54.840 0.003 0.000 0.822 431 L CB 1.700 43.752 42.059 -0.010 0.000 1.256 431 L HN 0.238 nan 8.230 nan 0.000 0.413 432 V N 5.849 125.764 119.914 0.003 0.000 2.378 432 V HA 0.421 4.543 4.120 0.003 0.000 0.288 432 V C -2.114 173.987 176.094 0.010 0.000 1.016 432 V CA -1.718 60.587 62.300 0.007 0.000 0.840 432 V CB 1.302 33.123 31.823 -0.004 0.000 0.994 432 V HN 0.677 nan 8.190 nan 0.000 0.431 433 P HA 0.050 nan 4.420 nan 0.000 0.267 433 P C 0.850 178.158 177.300 0.013 0.000 1.200 433 P CA -0.249 62.860 63.100 0.014 0.000 0.772 433 P CB 0.726 32.437 31.700 0.018 0.000 0.855 434 L N 3.925 125.148 121.223 0.001 0.000 1.997 434 L HA -0.260 4.082 4.340 0.003 0.000 0.216 434 L C 1.882 178.734 176.870 -0.029 0.000 1.074 434 L CA 2.107 56.931 54.840 -0.027 0.000 0.763 434 L CB -0.881 41.162 42.059 -0.026 0.000 0.890 434 L HN 0.265 nan 8.230 nan 0.000 0.434 435 K N -0.476 119.923 120.400 -0.002 0.000 2.147 435 K HA -0.149 4.172 4.320 0.003 0.000 0.205 435 K C 2.039 178.664 176.600 0.042 0.000 1.049 435 K CA 1.281 57.576 56.287 0.014 0.000 0.936 435 K CB -0.263 32.251 32.500 0.024 0.000 0.722 435 K HN 0.481 nan 8.250 nan 0.000 0.446 436 E N 0.157 120.388 120.200 0.051 0.000 2.106 436 E HA -0.082 4.270 4.350 0.003 0.000 0.192 436 E C 2.010 178.692 176.600 0.136 0.000 0.984 436 E CA 0.999 57.448 56.400 0.081 0.000 0.806 436 E CB -0.245 29.496 29.700 0.069 0.000 0.750 436 E HN 0.264 nan 8.360 nan 0.000 0.458 437 T N 1.899 116.531 114.554 0.131 0.000 2.652 437 T HA -0.133 4.219 4.350 0.003 0.000 0.267 437 T C 2.155 177.049 174.700 0.322 0.000 1.039 437 T CA 1.165 63.406 62.100 0.235 0.000 1.153 437 T CB -0.289 68.664 68.868 0.143 0.000 0.863 437 T HN 0.102 nan 8.240 nan 0.000 0.428 438 I N 0.911 121.568 120.570 0.144 0.000 2.127 438 I HA -0.235 3.937 4.170 0.003 0.000 0.241 438 I C 2.676 178.898 176.117 0.176 0.000 1.075 438 I CA 1.529 62.902 61.300 0.122 0.000 1.334 438 I CB -0.378 37.621 38.000 -0.002 0.000 1.040 438 I HN 0.205 nan 8.210 nan 0.000 0.405 439 K N 1.041 121.521 120.400 0.132 0.000 2.044 439 K HA -0.209 4.113 4.320 0.003 0.000 0.210 439 K C 2.109 178.787 176.600 0.129 0.000 1.049 439 K CA 1.921 58.276 56.287 0.115 0.000 0.927 439 K CB -0.505 32.048 32.500 0.089 0.000 0.713 439 K HN 0.422 nan 8.250 nan 0.000 0.443 440 G N 0.340 109.225 108.800 0.142 0.000 2.459 440 G HA2 -0.238 3.724 3.960 0.003 0.000 0.217 440 G HA3 -0.238 3.724 3.960 0.003 0.000 0.217 440 G C 1.304 176.163 174.900 -0.068 0.000 1.183 440 G CA 0.887 45.986 45.100 -0.003 0.000 0.776 440 G HN 0.317 nan 8.290 nan 0.000 0.552 441 F N 0.570 120.648 119.950 0.213 0.000 2.234 441 F HA 0.026 4.554 4.527 0.003 0.000 0.299 441 F C 2.897 178.749 175.800 0.087 0.000 1.087 441 F CA 1.381 59.477 58.000 0.161 0.000 1.340 441 F CB -0.112 38.998 39.000 0.183 0.000 1.031 441 F HN 0.167 nan 8.300 nan 0.000 0.500 442 Q N 0.260 120.206 119.800 0.245 0.000 2.084 442 Q HA -0.242 4.100 4.340 0.003 0.000 0.202 442 Q C 2.110 178.167 176.000 0.096 0.000 0.978 442 Q CA 1.693 57.584 55.803 0.147 0.000 0.844 442 Q CB -0.041 28.771 28.738 0.122 0.000 0.898 442 Q HN 0.492 nan 8.270 nan 0.000 0.426 443 Q N -0.100 119.756 119.800 0.094 0.000 2.049 443 Q HA -0.117 4.225 4.340 0.003 0.000 0.198 443 Q C 2.143 178.179 176.000 0.060 0.000 0.971 443 Q CA 1.340 57.177 55.803 0.057 0.000 0.833 443 Q CB -0.040 28.768 28.738 0.117 0.000 0.896 443 Q HN 0.435 nan 8.270 nan 0.000 0.434 444 I N 0.818 121.464 120.570 0.127 0.000 2.151 444 I HA -0.330 3.841 4.170 0.003 0.000 0.243 444 I C 2.198 178.330 176.117 0.025 0.000 1.080 444 I CA 1.268 62.615 61.300 0.078 0.000 1.339 444 I CB -0.340 37.616 38.000 -0.074 0.000 1.039 444 I HN 0.201 nan 8.210 nan 0.000 0.409 445 L N 0.442 121.696 121.223 0.051 0.000 2.127 445 L HA -0.205 4.136 4.340 0.003 0.000 0.211 445 L C 2.581 179.462 176.870 0.019 0.000 1.089 445 L CA 1.223 56.088 54.840 0.040 0.000 0.757 445 L CB -0.548 41.552 42.059 0.067 0.000 0.899 445 L HN 0.282 nan 8.230 nan 0.000 0.434 446 A N -0.897 121.930 122.820 0.012 0.000 2.208 446 A HA 0.251 4.572 4.320 0.003 0.000 0.209 446 A C 1.717 179.285 177.584 -0.027 0.000 1.161 446 A CA 0.835 52.868 52.037 -0.008 0.000 0.782 446 A CB -0.270 18.722 19.000 -0.014 0.000 0.816 446 A HN 0.522 nan 8.150 nan 0.000 0.477 447 G N -0.740 108.043 108.800 -0.029 0.000 2.144 447 G HA2 -0.222 3.740 3.960 0.003 0.000 0.218 447 G HA3 -0.222 3.740 3.960 0.003 0.000 0.218 447 G C 0.415 175.282 174.900 -0.056 0.000 0.988 447 G CA 0.431 45.515 45.100 -0.027 0.000 0.659 447 G HN 0.551 nan 8.290 nan 0.000 0.522 448 E N -0.988 119.116 120.200 -0.160 0.000 2.409 448 E HA 0.032 4.384 4.350 0.003 0.000 0.198 448 E C 0.655 176.988 176.600 -0.445 0.000 1.024 448 E CA 0.788 56.963 56.400 -0.375 0.000 0.861 448 E CB -0.015 29.315 29.700 -0.617 0.000 0.788 448 E HN 0.793 nan 8.360 nan 0.000 0.521 449 Y N -0.610 119.762 120.300 0.120 0.000 2.721 449 Y HA 0.128 4.680 4.550 0.003 0.000 0.251 449 Y C 0.700 176.624 175.900 0.039 0.000 1.136 449 Y CA -0.648 57.506 58.100 0.090 0.000 1.142 449 Y CB 0.724 39.299 38.460 0.192 0.000 1.212 449 Y HN -0.103 nan 8.280 nan 0.000 0.565 450 D N 0.153 120.677 120.400 0.207 0.000 2.263 450 D HA -0.172 4.470 4.640 0.003 0.000 0.208 450 D C 1.945 178.337 176.300 0.153 0.000 0.971 450 D CA 1.487 55.564 54.000 0.129 0.000 0.867 450 D CB -0.030 40.825 40.800 0.093 0.000 0.929 450 D HN 0.631 nan 8.370 nan 0.000 0.492 451 H N -0.351 118.775 119.070 0.094 0.000 2.497 451 H HA 0.109 4.667 4.556 0.003 0.000 0.282 451 H C 1.019 176.410 175.328 0.105 0.000 1.003 451 H CA -0.067 56.028 56.048 0.079 0.000 1.307 451 H CB -0.433 29.363 29.762 0.057 0.000 1.437 451 H HN 0.070 nan 8.280 nan 0.000 0.544 452 L N 3.624 124.653 121.223 -0.323 0.000 2.439 452 L HA 0.225 4.566 4.340 0.003 0.000 0.269 452 L C -1.953 174.957 176.870 0.067 0.000 1.179 452 L CA -1.851 52.900 54.840 -0.147 0.000 0.828 452 L CB 0.540 42.506 42.059 -0.155 0.000 1.106 452 L HN 0.094 nan 8.230 nan 0.000 0.467 453 P HA 0.096 nan 4.420 nan 0.000 0.277 453 P C 0.225 177.635 177.300 0.183 0.000 1.240 453 P CA -0.423 62.727 63.100 0.084 0.000 0.798 453 P CB 1.164 32.888 31.700 0.041 0.000 0.979 454 E N 0.587 120.867 120.200 0.133 0.000 2.086 454 E HA -0.276 4.075 4.350 0.003 0.000 0.205 454 E C 1.829 178.563 176.600 0.223 0.000 1.027 454 E CA 1.612 58.097 56.400 0.142 0.000 0.830 454 E CB -0.066 29.657 29.700 0.038 0.000 0.751 454 E HN 0.399 nan 8.360 nan 0.000 0.456 455 Q N -0.730 119.151 119.800 0.134 0.000 2.291 455 Q HA -0.102 4.240 4.340 0.003 0.000 0.206 455 Q C 1.969 178.050 176.000 0.136 0.000 0.976 455 Q CA 1.060 56.944 55.803 0.135 0.000 0.875 455 Q CB -0.152 28.632 28.738 0.076 0.000 0.927 455 Q HN 0.334 nan 8.270 nan 0.000 0.450 456 A N -0.342 122.508 122.820 0.051 0.000 2.019 456 A HA -0.135 4.187 4.320 0.003 0.000 0.219 456 A C 1.491 178.918 177.584 -0.260 0.000 1.164 456 A CA 1.021 52.959 52.037 -0.165 0.000 0.644 456 A CB -0.579 18.203 19.000 -0.363 0.000 0.805 456 A HN 0.297 nan 8.150 nan 0.000 0.449 457 F N -2.657 117.285 119.950 -0.012 0.000 2.789 457 F HA 0.184 4.713 4.527 0.003 0.000 0.300 457 F C 0.708 176.583 175.800 0.125 0.000 1.132 457 F CA -0.288 57.729 58.000 0.028 0.000 1.404 457 F CB -0.222 38.772 39.000 -0.010 0.000 1.114 457 F HN 0.287 nan 8.300 nan 0.000 0.584 458 Y N 1.479 121.858 120.300 0.131 0.000 2.393 458 Y HA 0.361 4.913 4.550 0.003 0.000 0.338 458 Y C 0.672 176.557 175.900 -0.024 0.000 1.029 458 Y CA -1.671 56.467 58.100 0.064 0.000 1.239 458 Y CB 0.366 38.855 38.460 0.049 0.000 1.170 458 Y HN 0.156 nan 8.280 nan 0.000 0.515 459 M N 5.151 124.359 119.600 -0.654 0.000 2.403 459 M HA -0.146 4.336 4.480 0.003 0.000 0.200 459 M C -1.789 174.232 176.300 -0.466 0.000 0.565 459 M CA 1.128 55.971 55.300 -0.761 0.000 0.507 459 M CB -1.613 30.244 32.600 -1.239 0.000 1.535 459 M HN 0.514 nan 8.290 nan 0.000 0.891 460 V N -2.527 117.235 119.914 -0.253 0.000 3.167 460 V HA 1.106 5.228 4.120 0.003 0.000 0.310 460 V C 0.795 176.823 176.094 -0.111 0.000 1.207 460 V CA -0.254 61.956 62.300 -0.149 0.000 1.059 460 V CB 1.387 33.164 31.823 -0.078 0.000 1.079 460 V HN 0.481 nan 8.190 nan 0.000 0.446 461 G N 0.205 108.970 108.800 -0.058 0.000 2.908 461 G HA2 0.444 4.406 3.960 0.003 0.000 0.188 461 G HA3 0.444 4.406 3.960 0.003 0.000 0.188 461 G C -2.169 172.732 174.900 0.000 0.000 1.903 461 G CA -0.103 44.970 45.100 -0.045 0.000 0.883 461 G HN 0.780 nan 8.290 nan 0.000 0.515 462 P HA 0.182 nan 4.420 nan 0.000 0.274 462 P C 0.756 178.164 177.300 0.179 0.000 1.246 462 P CA -0.608 62.573 63.100 0.135 0.000 0.795 462 P CB 1.567 33.306 31.700 0.065 0.000 1.006 463 I N 1.002 121.660 120.570 0.147 0.000 2.264 463 I HA -0.276 3.896 4.170 0.003 0.000 0.248 463 I C 1.894 177.860 176.117 -0.250 0.000 1.111 463 I CA 1.871 63.050 61.300 -0.201 0.000 1.382 463 I CB -0.710 37.092 38.000 -0.330 0.000 1.060 463 I HN 0.296 nan 8.210 nan 0.000 0.418 464 E N 0.422 120.554 120.200 -0.113 0.000 2.209 464 E HA -0.241 4.110 4.350 0.003 0.000 0.196 464 E C 2.078 178.600 176.600 -0.130 0.000 0.993 464 E CA 1.374 57.712 56.400 -0.104 0.000 0.819 464 E CB -0.221 29.457 29.700 -0.037 0.000 0.745 464 E HN 0.593 nan 8.360 nan 0.000 0.477 465 E N -0.251 119.884 120.200 -0.108 0.000 2.208 465 E HA -0.084 4.267 4.350 0.003 0.000 0.193 465 E C 1.952 178.438 176.600 -0.190 0.000 0.988 465 E CA 0.697 57.033 56.400 -0.107 0.000 0.828 465 E CB -0.037 29.630 29.700 -0.056 0.000 0.763 465 E HN 0.289 nan 8.360 nan 0.000 0.478 466 A N 0.797 123.429 122.820 -0.315 0.000 1.930 466 A HA -0.100 4.222 4.320 0.003 0.000 0.217 466 A C 2.422 179.657 177.584 -0.582 0.000 1.175 466 A CA 0.808 52.501 52.037 -0.573 0.000 0.627 466 A CB -0.378 18.000 19.000 -1.038 0.000 0.815 466 A HN 0.091 nan 8.150 nan 0.000 0.443 467 V N -0.161 119.471 119.914 -0.471 0.000 2.307 467 V HA -0.214 3.908 4.120 0.003 0.000 0.245 467 V C 3.050 179.035 176.094 -0.181 0.000 1.045 467 V CA 1.870 63.987 62.300 -0.304 0.000 1.024 467 V CB -1.157 30.561 31.823 -0.174 0.000 0.651 467 V HN 0.595 nan 8.190 nan 0.000 0.449 468 A N -0.277 122.454 122.820 -0.147 0.000 1.902 468 A HA -0.260 4.061 4.320 0.003 0.000 0.217 468 A C 2.337 179.866 177.584 -0.092 0.000 1.181 468 A CA 2.180 54.162 52.037 -0.092 0.000 0.623 468 A CB -0.494 18.465 19.000 -0.068 0.000 0.818 468 A HN 0.507 nan 8.150 nan 0.000 0.443 469 K N -0.310 120.016 120.400 -0.123 0.000 2.063 469 K HA -0.116 4.206 4.320 0.003 0.000 0.208 469 K C 2.150 178.693 176.600 -0.096 0.000 1.048 469 K CA 1.226 57.455 56.287 -0.098 0.000 0.928 469 K CB -0.353 32.080 32.500 -0.111 0.000 0.713 469 K HN 0.369 nan 8.250 nan 0.000 0.442 470 A N 1.580 124.309 122.820 -0.151 0.000 1.948 470 A HA -0.236 4.086 4.320 0.003 0.000 0.220 470 A C 1.589 179.136 177.584 -0.062 0.000 1.177 470 A CA 2.217 54.182 52.037 -0.120 0.000 0.636 470 A CB -0.579 18.315 19.000 -0.176 0.000 0.815 470 A HN 0.410 nan 8.150 nan 0.000 0.449 471 D N -0.600 119.766 120.400 -0.056 0.000 2.097 471 D HA -0.114 4.528 4.640 0.003 0.000 0.197 471 D C 1.894 178.183 176.300 -0.018 0.000 0.984 471 D CA 1.347 55.330 54.000 -0.027 0.000 0.826 471 D CB -0.340 40.446 40.800 -0.023 0.000 0.973 471 D HN 0.496 nan 8.370 nan 0.000 0.460 472 K N 0.487 120.874 120.400 -0.022 0.000 2.074 472 K HA -0.134 4.188 4.320 0.003 0.000 0.209 472 K C 2.193 178.791 176.600 -0.004 0.000 1.048 472 K CA 0.842 57.123 56.287 -0.010 0.000 0.926 472 K CB -0.242 32.254 32.500 -0.008 0.000 0.713 472 K HN 0.135 nan 8.250 nan 0.000 0.444 473 L N 0.102 121.321 121.223 -0.008 0.000 2.201 473 L HA -0.138 4.203 4.340 0.003 0.000 0.212 473 L C 2.481 179.352 176.870 0.003 0.000 1.105 473 L CA 0.860 55.700 54.840 0.001 0.000 0.775 473 L CB -0.407 41.650 42.059 -0.002 0.000 0.913 473 L HN 0.255 nan 8.230 nan 0.000 0.440 474 A N -0.771 122.049 122.820 -0.000 0.000 1.940 474 A HA -0.133 4.189 4.320 0.003 0.000 0.219 474 A C 0.967 178.555 177.584 0.007 0.000 1.176 474 A CA 1.619 53.659 52.037 0.005 0.000 0.631 474 A CB -0.069 18.935 19.000 0.006 0.000 0.814 474 A HN 0.449 nan 8.150 nan 0.000 0.446 475 E N 0.000 120.203 120.200 0.005 0.000 2.725 475 E HA 0.000 4.352 4.350 0.003 0.000 0.291 475 E CA 0.000 56.404 56.400 0.006 0.000 0.976 475 E CB 0.000 29.704 29.700 0.006 0.000 0.812 475 E HN 0.000 nan 8.360 nan 0.000 0.440