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 1e79_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 XMIESGVINL 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 0.000 174.827 174.700 0.212 0.000 1.109 9 T CA 0.000 62.180 62.100 0.133 0.000 1.349 9 T CB 0.000 68.947 68.868 0.132 0.000 0.612 10 T N 1.476 116.143 114.554 0.189 0.000 2.829 10 T HA 0.775 5.125 4.350 -0.000 0.000 0.280 10 T C 0.393 175.036 174.700 -0.096 0.000 0.999 10 T CA -0.675 61.476 62.100 0.086 0.000 0.983 10 T CB 1.793 70.669 68.868 0.013 0.000 0.968 10 T HN 0.976 nan 8.240 nan 0.000 0.446 11 G N 1.572 110.138 108.800 -0.389 0.000 2.644 11 G HA2 0.757 4.717 3.960 -0.000 0.000 0.307 11 G HA3 0.757 4.717 3.960 -0.000 0.000 0.307 11 G C -1.274 173.351 174.900 -0.459 0.000 1.250 11 G CA -1.033 43.508 45.100 -0.932 0.000 0.996 11 G HN 0.619 nan 8.290 nan 0.000 0.489 12 R N -0.071 120.174 120.500 -0.425 0.000 2.502 12 R HA 0.335 4.675 4.340 -0.000 0.000 0.300 12 R C -0.499 175.686 176.300 -0.192 0.000 0.984 12 R CA -0.744 55.217 56.100 -0.232 0.000 0.882 12 R CB 2.363 32.564 30.300 -0.165 0.000 1.180 12 R HN 0.388 nan 8.270 nan 0.000 0.444 13 I N 3.556 124.048 120.570 -0.131 0.000 2.742 13 I HA -0.114 4.056 4.170 -0.000 0.000 0.287 13 I C 1.555 177.630 176.117 -0.070 0.000 1.186 13 I CA 0.244 61.493 61.300 -0.086 0.000 1.417 13 I CB 0.718 38.684 38.000 -0.056 0.000 1.377 13 I HN 0.585 nan 8.210 nan 0.000 0.556 14 V N 3.081 122.961 119.914 -0.057 0.000 3.661 14 V HA 0.594 4.714 4.120 -0.000 0.000 0.271 14 V C 0.560 176.638 176.094 -0.027 0.000 1.315 14 V CA 0.388 62.663 62.300 -0.042 0.000 1.072 14 V CB 0.113 31.912 31.823 -0.041 0.000 0.830 14 V HN 0.754 nan 8.190 nan 0.000 0.443 15 A N -0.293 122.513 122.820 -0.022 0.000 2.577 15 A HA 0.792 5.112 4.320 -0.000 0.000 0.297 15 A C -1.321 176.257 177.584 -0.010 0.000 1.060 15 A CA -0.343 51.686 52.037 -0.013 0.000 0.697 15 A CB 2.082 21.078 19.000 -0.008 0.000 1.281 15 A HN 0.598 nan 8.150 nan 0.000 0.402 16 V N 3.253 123.162 119.914 -0.008 0.000 2.524 16 V HA 0.508 4.628 4.120 -0.000 0.000 0.297 16 V C -1.058 175.034 176.094 -0.004 0.000 1.035 16 V CA -0.321 61.976 62.300 -0.005 0.000 0.867 16 V CB 1.486 33.305 31.823 -0.007 0.000 1.004 16 V HN 0.707 nan 8.190 nan 0.000 0.426 17 I N 4.131 124.700 120.570 -0.002 0.000 2.493 17 I HA 0.614 4.784 4.170 -0.000 0.000 0.279 17 I C 0.950 177.066 176.117 -0.002 0.000 1.045 17 I CA 0.295 61.593 61.300 -0.002 0.000 1.106 17 I CB 0.698 38.697 38.000 -0.002 0.000 1.216 17 I HN 0.835 nan 8.210 nan 0.000 0.459 18 G N 5.599 114.398 108.800 -0.003 0.000 2.622 18 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.307 18 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.307 18 G C 0.854 175.753 174.900 -0.002 0.000 1.226 18 G CA 0.864 45.963 45.100 -0.003 0.000 0.997 18 G HN 0.831 nan 8.290 nan 0.000 0.551 19 A N -0.728 122.091 122.820 -0.002 0.000 2.208 19 A HA 0.570 4.890 4.320 -0.000 0.000 0.209 19 A C 1.043 178.629 177.584 0.004 0.000 1.161 19 A CA 1.614 53.651 52.037 0.000 0.000 0.782 19 A CB 0.039 19.037 19.000 -0.003 0.000 0.816 19 A HN 1.371 nan 8.150 nan 0.000 0.477 20 V N 1.162 121.078 119.914 0.003 0.000 2.383 20 V HA 0.379 4.499 4.120 -0.000 0.000 0.275 20 V C -0.563 175.536 176.094 0.008 0.000 1.036 20 V CA -0.322 61.982 62.300 0.007 0.000 0.889 20 V CB 1.299 33.125 31.823 0.004 0.000 0.985 20 V HN 0.095 nan 8.190 nan 0.000 0.459 21 V N 4.097 124.019 119.914 0.014 0.000 2.531 21 V HA 0.468 4.588 4.120 -0.000 0.000 0.301 21 V C -0.795 175.311 176.094 0.019 0.000 1.034 21 V CA -0.842 61.466 62.300 0.012 0.000 0.865 21 V CB 2.116 33.947 31.823 0.012 0.000 0.995 21 V HN 0.782 nan 8.190 nan 0.000 0.424 22 D N 3.337 123.743 120.400 0.010 0.000 2.232 22 D HA 0.579 5.219 4.640 -0.000 0.000 0.242 22 D C -0.422 175.875 176.300 -0.005 0.000 1.093 22 D CA 0.010 54.018 54.000 0.013 0.000 0.845 22 D CB 2.117 42.921 40.800 0.007 0.000 1.124 22 D HN 0.259 nan 8.370 nan 0.000 0.467 23 V N 2.172 122.090 119.914 0.007 0.000 2.680 23 V HA 0.365 4.485 4.120 -0.000 0.000 0.309 23 V C -0.126 175.915 176.094 -0.088 0.000 1.052 23 V CA -0.901 61.358 62.300 -0.068 0.000 0.908 23 V CB 2.155 33.947 31.823 -0.052 0.000 1.001 23 V HN 0.390 nan 8.190 nan 0.000 0.431 24 Q N 2.029 121.694 119.800 -0.225 0.000 2.316 24 Q HA 0.603 4.943 4.340 -0.000 0.000 0.264 24 Q C -1.970 173.803 176.000 -0.379 0.000 0.987 24 Q CA -0.499 55.203 55.803 -0.167 0.000 0.852 24 Q CB 1.594 30.266 28.738 -0.110 0.000 1.287 24 Q HN 0.645 nan 8.270 nan 0.000 0.448 25 F N 2.477 122.394 119.950 -0.055 0.000 2.426 25 F HA 0.216 4.742 4.527 -0.000 0.000 0.348 25 F C 0.687 176.461 175.800 -0.042 0.000 1.124 25 F CA -0.640 57.330 58.000 -0.050 0.000 1.008 25 F CB 1.608 40.568 39.000 -0.066 0.000 1.139 25 F HN 0.636 nan 8.300 nan 0.000 0.452 26 D N 1.708 122.160 120.400 0.086 0.000 2.144 26 D HA -0.076 4.564 4.640 -0.000 0.000 0.200 26 D C 1.185 177.527 176.300 0.071 0.000 0.978 26 D CA 1.526 55.558 54.000 0.054 0.000 0.833 26 D CB 0.379 41.191 40.800 0.019 0.000 0.961 26 D HN 0.683 nan 8.370 nan 0.000 0.470 27 E N -0.299 119.963 120.200 0.104 0.000 3.018 27 E HA 0.352 4.702 4.350 -0.000 0.000 0.293 27 E C 0.984 177.615 176.600 0.051 0.000 0.886 27 E CA -0.276 56.164 56.400 0.066 0.000 1.132 27 E CB -0.454 29.278 29.700 0.053 0.000 2.610 27 E HN -0.011 nan 8.360 nan 0.000 0.572 28 G N 1.475 110.295 108.800 0.033 0.000 2.398 28 G HA2 0.323 4.283 3.960 -0.000 0.000 0.246 28 G HA3 0.323 4.283 3.960 -0.000 0.000 0.246 28 G C -0.918 173.876 174.900 -0.177 0.000 1.289 28 G CA -0.135 44.935 45.100 -0.050 0.000 0.869 28 G HN -0.006 nan 8.290 nan 0.000 0.543 29 L N 5.218 126.310 121.223 -0.220 0.000 2.280 29 L HA 0.461 4.801 4.340 -0.000 0.000 0.287 29 L C -1.827 174.823 176.870 -0.366 0.000 1.023 29 L CA -2.144 52.460 54.840 -0.393 0.000 0.819 29 L CB 1.728 43.625 42.059 -0.270 0.000 1.212 29 L HN 0.333 nan 8.230 nan 0.000 0.420 30 P HA 0.260 nan 4.420 nan 0.000 0.271 30 P C -2.763 174.539 177.300 0.004 0.000 1.220 30 P CA -1.302 61.623 63.100 -0.293 0.000 0.768 30 P CB 0.114 31.586 31.700 -0.380 0.000 0.848 31 P HA 0.101 nan 4.420 nan 0.000 0.274 31 P C 0.421 177.734 177.300 0.021 0.000 1.231 31 P CA -0.270 62.866 63.100 0.060 0.000 0.790 31 P CB 0.394 32.077 31.700 -0.028 0.000 0.951 32 I N 3.247 123.754 120.570 -0.105 0.000 2.906 32 I HA -0.170 4.000 4.170 -0.000 0.000 0.302 32 I C 1.873 177.927 176.117 -0.104 0.000 1.220 32 I CA 0.943 62.179 61.300 -0.106 0.000 1.441 32 I CB -1.212 36.681 38.000 -0.179 0.000 1.336 32 I HN 0.592 nan 8.210 nan 0.000 0.565 33 L N 1.560 122.723 121.223 -0.099 0.000 3.853 33 L HA -0.240 4.099 4.340 -0.000 0.000 0.416 33 L C 0.479 177.319 176.870 -0.050 0.000 0.766 33 L CA 0.364 55.111 54.840 -0.155 0.000 2.383 33 L CB -1.374 40.500 42.059 -0.309 0.000 1.276 33 L HN 0.612 nan 8.230 nan 0.000 0.597 34 N N 1.088 119.775 118.700 -0.021 0.000 2.453 34 N HA 0.508 5.248 4.740 -0.000 0.000 0.253 34 N C 0.227 175.753 175.510 0.027 0.000 1.252 34 N CA 0.874 53.924 53.050 0.001 0.000 0.917 34 N CB 0.858 39.333 38.487 -0.020 0.000 1.117 34 N HN 0.297 nan 8.380 nan 0.000 0.442 35 A N 2.088 124.928 122.820 0.035 0.000 2.274 35 A HA 0.552 4.872 4.320 -0.000 0.000 0.309 35 A C -0.486 177.126 177.584 0.046 0.000 1.226 35 A CA -0.565 51.500 52.037 0.046 0.000 0.853 35 A CB -0.011 19.017 19.000 0.047 0.000 1.146 35 A HN 0.602 nan 8.150 nan 0.000 0.518 36 L N 2.414 123.675 121.223 0.064 0.000 2.317 36 L HA 0.472 4.812 4.340 -0.000 0.000 0.281 36 L C -0.169 176.739 176.870 0.064 0.000 1.024 36 L CA -0.734 54.157 54.840 0.086 0.000 0.810 36 L CB 1.534 43.678 42.059 0.140 0.000 1.240 36 L HN 0.597 nan 8.230 nan 0.000 0.427 37 E N 2.826 123.060 120.200 0.056 0.000 2.156 37 E HA 0.314 4.664 4.350 -0.000 0.000 0.279 37 E C -0.699 175.919 176.600 0.031 0.000 0.965 37 E CA -0.605 55.817 56.400 0.037 0.000 0.789 37 E CB 2.573 32.288 29.700 0.026 0.000 1.098 37 E HN 0.212 nan 8.360 nan 0.000 0.397 38 V N 3.954 123.881 119.914 0.022 0.000 2.530 38 V HA 0.015 4.135 4.120 -0.000 0.000 0.282 38 V C 0.534 176.630 176.094 0.003 0.000 1.048 38 V CA -0.497 61.809 62.300 0.009 0.000 0.997 38 V CB 1.042 32.868 31.823 0.006 0.000 0.987 38 V HN 0.493 nan 8.190 nan 0.000 0.477 39 Q N 2.218 122.016 119.800 -0.004 0.000 2.260 39 Q HA 0.486 4.826 4.340 -0.000 0.000 0.242 39 Q C 0.977 176.972 176.000 -0.008 0.000 0.932 39 Q CA 0.372 56.172 55.803 -0.006 0.000 0.891 39 Q CB 1.218 29.950 28.738 -0.009 0.000 1.222 39 Q HN 1.168 nan 8.270 nan 0.000 0.453 40 G N 1.723 110.520 108.800 -0.006 0.000 2.248 40 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.263 40 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.263 40 G C -0.257 174.641 174.900 -0.005 0.000 1.082 40 G CA -0.029 45.068 45.100 -0.007 0.000 0.863 40 G HN 0.394 nan 8.290 nan 0.000 0.495 41 R N -0.787 119.712 120.500 -0.002 0.000 2.673 41 R HA 0.358 4.698 4.340 -0.000 0.000 0.281 41 R C 0.921 177.221 176.300 0.001 0.000 0.991 41 R CA -0.948 55.152 56.100 -0.001 0.000 0.896 41 R CB 1.181 31.481 30.300 0.001 0.000 1.201 41 R HN 0.117 nan 8.270 nan 0.000 0.457 42 E N 0.618 120.818 120.200 0.001 0.000 2.097 42 E HA -0.135 4.215 4.350 -0.000 0.000 0.196 42 E C 0.721 177.323 176.600 0.003 0.000 1.000 42 E CA 1.813 58.214 56.400 0.001 0.000 0.804 42 E CB 0.137 29.838 29.700 0.001 0.000 0.740 42 E HN 0.675 nan 8.360 nan 0.000 0.454 43 T N -2.273 112.283 114.554 0.004 0.000 2.906 43 T HA 0.450 4.800 4.350 -0.000 0.000 0.295 43 T C -0.166 174.538 174.700 0.007 0.000 1.061 43 T CA -0.999 61.105 62.100 0.005 0.000 1.000 43 T CB 2.512 71.383 68.868 0.006 0.000 1.103 43 T HN -0.087 nan 8.240 nan 0.000 0.486 44 R N 1.124 121.629 120.500 0.009 0.000 2.473 44 R HA 0.249 4.589 4.340 -0.000 0.000 0.315 44 R C -0.885 175.422 176.300 0.013 0.000 0.972 44 R CA -0.355 55.752 56.100 0.011 0.000 1.047 44 R CB -0.343 29.965 30.300 0.013 0.000 0.932 44 R HN 0.565 nan 8.270 nan 0.000 0.411 45 L N 6.238 127.469 121.223 0.013 0.000 2.294 45 L HA 0.360 4.700 4.340 -0.000 0.000 0.283 45 L C -1.197 175.686 176.870 0.021 0.000 1.015 45 L CA -0.475 54.374 54.840 0.016 0.000 0.831 45 L CB 1.796 43.862 42.059 0.012 0.000 1.217 45 L HN 0.333 nan 8.230 nan 0.000 0.420 46 V N 6.263 126.192 119.914 0.025 0.000 2.472 46 V HA 0.491 4.611 4.120 -0.000 0.000 0.290 46 V C -0.022 176.095 176.094 0.038 0.000 1.037 46 V CA -0.576 61.743 62.300 0.033 0.000 0.908 46 V CB 1.755 33.599 31.823 0.035 0.000 0.985 46 V HN 0.599 nan 8.190 nan 0.000 0.454 47 L N 3.930 125.181 121.223 0.047 0.000 2.341 47 L HA 0.603 4.943 4.340 -0.000 0.000 0.278 47 L C -0.069 176.837 176.870 0.061 0.000 1.005 47 L CA -0.358 54.513 54.840 0.052 0.000 0.818 47 L CB 1.854 43.947 42.059 0.057 0.000 1.259 47 L HN 0.628 nan 8.230 nan 0.000 0.418 48 E N 2.287 122.523 120.200 0.060 0.000 2.156 48 E HA 0.338 4.688 4.350 -0.000 0.000 0.279 48 E C -1.055 175.578 176.600 0.055 0.000 0.965 48 E CA -0.798 55.641 56.400 0.065 0.000 0.789 48 E CB 1.860 31.611 29.700 0.086 0.000 1.098 48 E HN 0.334 nan 8.360 nan 0.000 0.397 49 V N 4.342 124.286 119.914 0.050 0.000 2.485 49 V HA 0.073 4.193 4.120 -0.000 0.000 0.287 49 V C 0.907 177.021 176.094 0.032 0.000 1.022 49 V CA 0.818 63.154 62.300 0.059 0.000 1.067 49 V CB 0.671 32.538 31.823 0.073 0.000 0.967 49 V HN 0.873 nan 8.190 nan 0.000 0.479 50 A N 4.406 127.252 122.820 0.042 0.000 2.013 50 A HA 0.325 4.645 4.320 -0.000 0.000 0.204 50 A C 0.694 178.286 177.584 0.014 0.000 1.262 50 A CA 0.243 52.288 52.037 0.014 0.000 0.800 50 A CB 0.364 19.375 19.000 0.017 0.000 0.909 50 A HN 0.788 nan 8.150 nan 0.000 0.472 51 Q N -1.211 118.628 119.800 0.066 0.000 2.462 51 Q HA 0.409 4.749 4.340 -0.000 0.000 0.285 51 Q C -1.684 174.453 176.000 0.229 0.000 1.035 51 Q CA -0.613 55.236 55.803 0.077 0.000 0.799 51 Q CB 1.597 30.367 28.738 0.053 0.000 1.452 51 Q HN 0.563 nan 8.270 nan 0.000 0.404 52 H N 1.614 120.683 119.070 -0.002 0.000 2.661 52 H HA 0.252 4.808 4.556 -0.000 0.000 0.290 52 H C 0.549 175.883 175.328 0.010 0.000 1.082 52 H CA -0.316 55.736 56.048 0.005 0.000 1.234 52 H CB 0.935 30.693 29.762 -0.006 0.000 1.387 52 H HN 0.450 nan 8.280 nan 0.000 0.476 53 L N 2.653 123.941 121.223 0.108 0.000 2.362 53 L HA 0.057 4.397 4.340 -0.000 0.000 0.219 53 L C 1.267 178.168 176.870 0.051 0.000 1.134 53 L CA 0.738 55.616 54.840 0.064 0.000 0.807 53 L CB -0.201 41.884 42.059 0.043 0.000 0.927 53 L HN 0.860 nan 8.230 nan 0.000 0.447 54 G N -0.220 108.611 108.800 0.052 0.000 2.525 54 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.685 54 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.685 54 G C -0.164 174.747 174.900 0.019 0.000 1.290 54 G CA -0.483 44.639 45.100 0.036 0.000 0.915 54 G HN 0.295 nan 8.290 nan 0.000 0.548 55 E N -0.965 119.245 120.200 0.015 0.000 2.269 55 E HA -0.229 4.121 4.350 -0.000 0.000 0.223 55 E C 0.938 177.543 176.600 0.009 0.000 1.244 55 E CA 0.968 57.375 56.400 0.011 0.000 0.713 55 E CB -1.700 28.005 29.700 0.009 0.000 1.178 55 E HN 1.955 nan 8.360 nan 0.000 0.370 56 S N -1.861 113.842 115.700 0.005 0.000 3.445 56 S HA -0.201 4.269 4.470 -0.000 0.000 0.319 56 S C 0.198 174.816 174.600 0.030 0.000 1.209 56 S CA 1.609 59.816 58.200 0.011 0.000 0.934 56 S CB -0.814 62.406 63.200 0.033 0.000 0.999 56 S HN 0.507 nan 8.310 nan 0.000 0.582 57 T N 1.414 115.974 114.554 0.009 0.000 2.823 57 T HA 0.632 4.982 4.350 -0.000 0.000 0.279 57 T C 0.195 174.902 174.700 0.012 0.000 0.998 57 T CA -0.282 61.835 62.100 0.027 0.000 0.994 57 T CB 1.832 70.710 68.868 0.016 0.000 0.960 57 T HN 0.476 nan 8.240 nan 0.000 0.448 58 V N 1.364 121.308 119.914 0.051 0.000 2.815 58 V HA 0.778 4.898 4.120 -0.000 0.000 0.314 58 V C -0.313 175.830 176.094 0.081 0.000 1.064 58 V CA -1.405 60.928 62.300 0.055 0.000 0.952 58 V CB 1.753 33.603 31.823 0.045 0.000 1.020 58 V HN 0.847 nan 8.190 nan 0.000 0.439 59 R N 2.013 122.565 120.500 0.086 0.000 2.407 59 R HA 0.760 5.100 4.340 -0.000 0.000 0.303 59 R C -0.167 176.172 176.300 0.066 0.000 0.981 59 R CA 0.394 56.532 56.100 0.063 0.000 0.905 59 R CB 1.580 31.909 30.300 0.049 0.000 1.099 59 R HN 1.210 nan 8.270 nan 0.000 0.459 60 T N 2.361 116.947 114.554 0.053 0.000 2.901 60 T HA 0.519 4.869 4.350 -0.000 0.000 0.293 60 T C -0.338 174.383 174.700 0.036 0.000 1.084 60 T CA -1.007 61.124 62.100 0.052 0.000 1.008 60 T CB 1.360 70.266 68.868 0.064 0.000 1.170 60 T HN 0.489 nan 8.240 nan 0.000 0.509 61 I N 0.262 120.853 120.570 0.035 0.000 2.433 61 I HA 0.791 4.961 4.170 -0.000 0.000 0.292 61 I C 0.020 176.155 176.117 0.030 0.000 1.001 61 I CA -1.411 59.904 61.300 0.026 0.000 1.119 61 I CB 0.601 38.612 38.000 0.018 0.000 1.289 61 I HN 1.013 nan 8.210 nan 0.000 0.438 62 A N 6.873 129.707 122.820 0.023 0.000 2.371 62 A HA 0.540 4.860 4.320 -0.000 0.000 0.257 62 A C 0.777 178.374 177.584 0.022 0.000 1.089 62 A CA -0.455 51.596 52.037 0.023 0.000 0.794 62 A CB 0.598 19.608 19.000 0.016 0.000 1.029 62 A HN 0.818 nan 8.150 nan 0.000 0.488 63 M N 0.775 120.390 119.600 0.025 0.000 2.431 63 M HA 0.202 4.682 4.480 -0.000 0.000 0.237 63 M C -0.173 176.138 176.300 0.019 0.000 1.130 63 M CA 0.508 55.822 55.300 0.024 0.000 1.002 63 M CB -0.895 31.722 32.600 0.029 0.000 1.524 63 M HN 0.816 nan 8.290 nan 0.000 0.482 64 D N -0.993 119.416 120.400 0.016 0.000 2.692 64 D HA 0.416 5.056 4.640 -0.000 0.000 0.303 64 D C -0.526 175.780 176.300 0.010 0.000 1.278 64 D CA -0.177 53.830 54.000 0.013 0.000 0.852 64 D CB 1.255 42.063 40.800 0.013 0.000 1.375 64 D HN 0.128 nan 8.370 nan 0.000 0.453 65 G N -0.864 107.940 108.800 0.008 0.000 2.562 65 G HA2 0.307 4.267 3.960 -0.000 0.000 0.233 65 G HA3 0.307 4.267 3.960 -0.000 0.000 0.233 65 G C 0.854 175.757 174.900 0.005 0.000 1.266 65 G CA 0.750 45.853 45.100 0.005 0.000 0.852 65 G HN 0.442 nan 8.290 nan 0.000 0.581 66 T N -1.800 112.755 114.554 0.003 0.000 3.054 66 T HA 0.157 4.507 4.350 -0.000 0.000 0.255 66 T C 0.741 175.441 174.700 -0.000 0.000 1.035 66 T CA 0.142 62.243 62.100 0.002 0.000 0.941 66 T CB 0.101 68.970 68.868 0.001 0.000 1.026 66 T HN 0.661 nan 8.240 nan 0.000 0.533 67 E N 2.073 122.273 120.200 -0.000 0.000 2.442 67 E HA 0.294 4.644 4.350 -0.000 0.000 0.262 67 E C 1.223 177.822 176.600 -0.002 0.000 1.004 67 E CA 0.768 57.167 56.400 -0.001 0.000 0.928 67 E CB 0.042 29.741 29.700 -0.000 0.000 0.937 67 E HN 0.479 nan 8.360 nan 0.000 0.446 68 G N 2.630 111.428 108.800 -0.003 0.000 2.268 68 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.240 68 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.240 68 G C 0.402 175.298 174.900 -0.006 0.000 1.010 68 G CA 0.126 45.223 45.100 -0.004 0.000 0.618 68 G HN 0.492 nan 8.290 nan 0.000 0.516 69 L N 1.031 122.250 121.223 -0.007 0.000 2.483 69 L HA 0.482 4.822 4.340 -0.000 0.000 0.276 69 L C 0.630 177.493 176.870 -0.012 0.000 1.213 69 L CA -0.068 54.766 54.840 -0.010 0.000 0.843 69 L CB 1.064 43.117 42.059 -0.009 0.000 1.107 69 L HN 0.058 nan 8.230 nan 0.000 0.487 70 V N 2.526 122.430 119.914 -0.016 0.000 2.823 70 V HA 0.388 4.508 4.120 -0.000 0.000 0.312 70 V C -0.098 175.982 176.094 -0.024 0.000 1.072 70 V CA -0.970 61.319 62.300 -0.018 0.000 0.937 70 V CB 2.148 33.961 31.823 -0.017 0.000 1.013 70 V HN 0.666 nan 8.190 nan 0.000 0.430 71 R N 1.946 122.432 120.500 -0.023 0.000 2.401 71 R HA 0.486 4.825 4.340 -0.000 0.000 0.299 71 R C 1.131 177.410 176.300 -0.035 0.000 1.064 71 R CA 0.867 56.950 56.100 -0.030 0.000 1.000 71 R CB 0.315 30.600 30.300 -0.026 0.000 0.973 71 R HN 1.202 nan 8.270 nan 0.000 0.438 72 G N 1.786 110.558 108.800 -0.047 0.000 2.211 72 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.201 72 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.201 72 G C 0.133 174.999 174.900 -0.057 0.000 0.997 72 G CA -0.494 44.575 45.100 -0.052 0.000 0.652 72 G HN 0.565 nan 8.290 nan 0.000 0.500 73 Q N 1.165 120.934 119.800 -0.052 0.000 2.337 73 Q HA 0.395 4.734 4.340 -0.000 0.000 0.270 73 Q C 0.381 176.340 176.000 -0.068 0.000 1.002 73 Q CA 0.139 55.913 55.803 -0.049 0.000 0.888 73 Q CB 0.360 29.076 28.738 -0.036 0.000 1.222 73 Q HN 0.381 nan 8.270 nan 0.000 0.400 74 K N 1.723 122.086 120.400 -0.061 0.000 2.326 74 K HA 0.257 4.577 4.320 -0.000 0.000 0.275 74 K C -1.023 175.538 176.600 -0.064 0.000 1.018 74 K CA -0.213 56.030 56.287 -0.073 0.000 0.962 74 K CB 0.933 33.404 32.500 -0.049 0.000 0.953 74 K HN 0.322 nan 8.250 nan 0.000 0.475 75 V N 4.488 124.348 119.914 -0.090 0.000 2.760 75 V HA 0.365 4.485 4.120 -0.000 0.000 0.309 75 V C -0.506 175.608 176.094 0.033 0.000 1.077 75 V CA -0.947 61.332 62.300 -0.035 0.000 0.910 75 V CB 1.706 33.498 31.823 -0.052 0.000 1.008 75 V HN 0.599 nan 8.190 nan 0.000 0.424 76 L N 2.866 124.136 121.223 0.079 0.000 2.317 76 L HA 0.573 4.913 4.340 -0.000 0.000 0.281 76 L C -0.485 176.471 176.870 0.144 0.000 1.024 76 L CA -0.558 54.351 54.840 0.116 0.000 0.810 76 L CB 1.937 44.032 42.059 0.061 0.000 1.240 76 L HN 0.661 nan 8.230 nan 0.000 0.427 77 D N 0.617 121.111 120.400 0.156 0.000 2.295 77 D HA 0.073 4.713 4.640 -0.000 0.000 0.248 77 D C 0.981 177.299 176.300 0.029 0.000 1.154 77 D CA -0.271 53.771 54.000 0.069 0.000 0.857 77 D CB 1.547 42.329 40.800 -0.030 0.000 1.117 77 D HN 0.499 nan 8.370 nan 0.000 0.468 78 S N 2.550 118.261 115.700 0.018 0.000 2.522 78 S HA 0.143 4.613 4.470 -0.000 0.000 0.227 78 S C 1.681 176.274 174.600 -0.011 0.000 0.986 78 S CA 0.284 58.485 58.200 0.002 0.000 0.929 78 S CB -0.345 62.855 63.200 0.001 0.000 0.769 78 S HN 1.034 nan 8.310 nan 0.000 0.529 79 G N 0.349 109.139 108.800 -0.017 0.000 2.160 79 G HA2 0.208 4.168 3.960 -0.000 0.000 0.244 79 G HA3 0.208 4.168 3.960 -0.000 0.000 0.244 79 G C 0.114 175.002 174.900 -0.019 0.000 1.022 79 G CA -0.162 44.923 45.100 -0.026 0.000 0.741 79 G HN 1.678 nan 8.290 nan 0.000 0.508 80 A N -1.517 121.297 122.820 -0.011 0.000 2.549 80 A HA 0.816 5.136 4.320 -0.000 0.000 0.291 80 A C -3.054 174.542 177.584 0.020 0.000 1.034 80 A CA -0.326 51.712 52.037 0.001 0.000 0.655 80 A CB 0.662 19.663 19.000 0.001 0.000 1.299 80 A HN 0.261 nan 8.150 nan 0.000 0.427 81 P HA 0.416 nan 4.420 nan 0.000 0.273 81 P C -0.255 177.098 177.300 0.088 0.000 1.250 81 P CA -0.224 62.929 63.100 0.088 0.000 0.793 81 P CB 0.201 31.992 31.700 0.151 0.000 1.011 82 I N 1.106 121.742 120.570 0.110 0.000 2.741 82 I HA -0.070 4.100 4.170 -0.000 0.000 0.288 82 I C 1.138 177.292 176.117 0.061 0.000 1.192 82 I CA 0.922 62.264 61.300 0.070 0.000 1.426 82 I CB -0.222 37.813 38.000 0.058 0.000 1.367 82 I HN 0.119 nan 8.210 nan 0.000 0.563 83 R N 7.386 127.924 120.500 0.064 0.000 2.494 83 R HA 0.691 5.031 4.340 -0.000 0.000 0.305 83 R C -0.699 175.698 176.300 0.161 0.000 0.959 83 R CA -0.789 55.370 56.100 0.097 0.000 0.864 83 R CB 1.916 32.271 30.300 0.091 0.000 1.159 83 R HN 0.584 nan 8.270 nan 0.000 0.446 84 I N -1.019 119.635 120.570 0.139 0.000 3.067 84 I HA 0.671 4.841 4.170 -0.000 0.000 0.312 84 I C -2.606 173.482 176.117 -0.048 0.000 1.073 84 I CA -3.380 57.978 61.300 0.098 0.000 1.016 84 I CB 2.046 40.040 38.000 -0.011 0.000 1.227 84 I HN 0.298 nan 8.210 nan 0.000 0.456 85 P HA 0.258 nan 4.420 nan 0.000 0.276 85 P C -0.874 176.149 177.300 -0.461 0.000 1.230 85 P CA -0.171 62.552 63.100 -0.628 0.000 0.776 85 P CB 1.037 32.434 31.700 -0.504 0.000 0.888 86 V N -0.294 119.269 119.914 -0.584 0.000 3.007 86 V HA 1.017 5.137 4.120 -0.000 0.000 0.311 86 V C -0.060 175.437 176.094 -0.994 0.000 1.120 86 V CA -0.331 61.558 62.300 -0.684 0.000 0.980 86 V CB 1.451 32.903 31.823 -0.617 0.000 1.033 86 V HN 0.970 nan 8.190 nan 0.000 0.429 87 G N 2.895 111.014 108.800 -1.136 0.000 2.381 87 G HA2 0.150 4.110 3.960 -0.000 0.000 0.672 87 G HA3 0.150 4.110 3.960 -0.000 0.000 0.672 87 G C -2.458 172.276 174.900 -0.277 0.000 1.324 87 G CA -0.071 44.492 45.100 -0.894 0.000 0.975 87 G HN 0.695 nan 8.290 nan 0.000 0.593 88 P HA -0.081 nan 4.420 nan 0.000 0.219 88 P C 1.268 178.545 177.300 -0.037 0.000 1.144 88 P CA 1.589 64.718 63.100 0.048 0.000 0.806 88 P CB 0.089 31.836 31.700 0.079 0.000 0.771 89 E N -0.770 119.374 120.200 -0.094 0.000 2.418 89 E HA -0.068 4.282 4.350 -0.000 0.000 0.197 89 E C 1.717 178.263 176.600 -0.090 0.000 1.026 89 E CA 1.371 57.715 56.400 -0.093 0.000 0.862 89 E CB -1.056 28.570 29.700 -0.124 0.000 0.799 89 E HN 0.452 nan 8.360 nan 0.000 0.518 90 T N -1.532 112.964 114.554 -0.097 0.000 3.067 90 T HA 0.105 4.454 4.350 -0.000 0.000 0.257 90 T C 1.143 175.845 174.700 0.003 0.000 1.105 90 T CA -0.187 61.876 62.100 -0.062 0.000 1.104 90 T CB -0.221 68.592 68.868 -0.091 0.000 0.925 90 T HN -0.045 nan 8.240 nan 0.000 0.498 91 L N 1.968 123.193 121.223 0.004 0.000 2.499 91 L HA 0.415 4.755 4.340 -0.000 0.000 0.273 91 L C 1.748 178.620 176.870 0.003 0.000 1.195 91 L CA 0.923 55.752 54.840 -0.018 0.000 0.882 91 L CB -0.010 41.964 42.059 -0.141 0.000 1.133 91 L HN 0.547 nan 8.230 nan 0.000 0.483 92 G N 1.772 110.594 108.800 0.037 0.000 2.205 92 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.261 92 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.261 92 G C 0.430 175.385 174.900 0.092 0.000 0.980 92 G CA -0.290 44.849 45.100 0.065 0.000 0.632 92 G HN 0.475 nan 8.290 nan 0.000 0.533 93 R N -0.072 120.462 120.500 0.057 0.000 2.596 93 R HA 0.754 5.094 4.340 -0.000 0.000 0.267 93 R C 0.331 176.646 176.300 0.024 0.000 1.026 93 R CA -0.900 55.219 56.100 0.032 0.000 1.087 93 R CB 0.665 30.966 30.300 0.002 0.000 1.132 93 R HN 0.325 nan 8.270 nan 0.000 0.531 94 I N 2.465 123.016 120.570 -0.031 0.000 2.389 94 I HA 0.375 4.545 4.170 -0.000 0.000 0.288 94 I C 0.235 176.348 176.117 -0.007 0.000 0.999 94 I CA -0.342 60.942 61.300 -0.026 0.000 1.129 94 I CB 1.320 39.220 38.000 -0.168 0.000 1.288 94 I HN 0.216 nan 8.210 nan 0.000 0.444 95 M N 5.151 124.771 119.600 0.032 0.000 2.762 95 M HA 0.459 4.939 4.480 -0.000 0.000 0.306 95 M C -0.313 176.013 176.300 0.044 0.000 1.223 95 M CA -0.831 54.479 55.300 0.018 0.000 0.896 95 M CB 1.802 34.401 32.600 -0.002 0.000 1.684 95 M HN 0.582 nan 8.290 nan 0.000 0.491 96 N N -0.141 118.577 118.700 0.029 0.000 2.725 96 N HA 0.344 5.084 4.740 -0.000 0.000 0.312 96 N C 0.538 176.059 175.510 0.020 0.000 1.295 96 N CA -0.809 52.263 53.050 0.037 0.000 0.914 96 N CB -0.229 38.276 38.487 0.030 0.000 1.177 96 N HN 0.430 nan 8.380 nan 0.000 0.601 97 V N -0.686 119.238 119.914 0.018 0.000 2.324 97 V HA -0.213 3.907 4.120 -0.000 0.000 0.250 97 V C 1.764 177.859 176.094 0.002 0.000 1.060 97 V CA 2.154 64.457 62.300 0.004 0.000 1.042 97 V CB -1.310 30.519 31.823 0.010 0.000 0.650 97 V HN 0.771 nan 8.190 nan 0.000 0.450 98 I N -1.502 119.076 120.570 0.014 0.000 3.874 98 I HA 0.674 4.844 4.170 -0.000 0.000 0.331 98 I C 1.279 177.414 176.117 0.030 0.000 1.489 98 I CA 0.410 61.724 61.300 0.022 0.000 1.187 98 I CB -0.316 37.701 38.000 0.028 0.000 1.150 98 I HN 0.317 nan 8.210 nan 0.000 0.412 99 G N 1.147 109.957 108.800 0.017 0.000 2.155 99 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.257 99 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.257 99 G C -0.081 174.832 174.900 0.022 0.000 0.983 99 G CA 0.231 45.339 45.100 0.013 0.000 0.676 99 G HN 0.689 nan 8.290 nan 0.000 0.528 100 E N 1.546 121.760 120.200 0.023 0.000 2.331 100 E HA 0.373 4.723 4.350 -0.000 0.000 0.272 100 E C -2.154 174.450 176.600 0.006 0.000 1.036 100 E CA -1.860 54.553 56.400 0.021 0.000 0.864 100 E CB 1.201 30.913 29.700 0.020 0.000 1.035 100 E HN 0.201 nan 8.360 nan 0.000 0.408 101 P HA 0.007 nan 4.420 nan 0.000 0.271 101 P C 0.066 177.354 177.300 -0.019 0.000 1.216 101 P CA 0.458 63.550 63.100 -0.013 0.000 0.771 101 P CB 0.358 32.052 31.700 -0.011 0.000 0.864 102 I N -0.879 119.667 120.570 -0.040 0.000 3.966 102 I HA 0.235 4.405 4.170 -0.000 0.000 0.324 102 I C 0.197 176.254 176.117 -0.100 0.000 1.517 102 I CA -0.278 60.989 61.300 -0.056 0.000 1.117 102 I CB 0.098 38.069 38.000 -0.049 0.000 1.190 102 I HN 0.057 nan 8.210 nan 0.000 0.466 103 D N 0.586 120.927 120.400 -0.098 0.000 2.363 103 D HA 0.018 4.658 4.640 -0.000 0.000 0.214 103 D C 0.444 176.723 176.300 -0.036 0.000 1.093 103 D CA -0.152 53.778 54.000 -0.117 0.000 0.837 103 D CB -0.077 40.647 40.800 -0.127 0.000 0.948 103 D HN 0.429 nan 8.370 nan 0.000 0.507 104 E N -0.272 119.914 120.200 -0.024 0.000 2.476 104 E HA -0.252 4.098 4.350 -0.000 0.000 0.251 104 E C 0.316 176.920 176.600 0.008 0.000 1.130 104 E CA 0.266 56.664 56.400 -0.003 0.000 0.736 104 E CB -0.932 28.770 29.700 0.004 0.000 1.298 104 E HN 0.408 nan 8.360 nan 0.000 0.400 105 R N -0.422 120.082 120.500 0.006 0.000 2.508 105 R HA 0.285 4.624 4.340 -0.000 0.000 0.300 105 R C 0.811 177.116 176.300 0.009 0.000 0.970 105 R CA 0.321 56.429 56.100 0.013 0.000 1.102 105 R CB 1.373 31.686 30.300 0.021 0.000 1.246 105 R HN 0.291 nan 8.270 nan 0.000 0.539 106 G N 2.093 110.896 108.800 0.006 0.000 2.685 106 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.387 106 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.387 106 G C -2.673 172.230 174.900 0.006 0.000 1.324 106 G CA -1.285 43.819 45.100 0.007 0.000 0.878 106 G HN -0.040 nan 8.290 nan 0.000 0.527 107 P HA 0.315 nan 4.420 nan 0.000 0.265 107 P C 0.290 177.591 177.300 0.002 0.000 1.187 107 P CA -0.148 62.962 63.100 0.016 0.000 0.766 107 P CB 0.273 31.989 31.700 0.027 0.000 0.820 108 I N 2.653 123.218 120.570 -0.008 0.000 2.256 108 I HA 0.114 4.284 4.170 -0.000 0.000 0.294 108 I C 0.923 177.001 176.117 -0.064 0.000 1.127 108 I CA -0.295 60.975 61.300 -0.050 0.000 1.247 108 I CB -0.759 37.187 38.000 -0.090 0.000 1.460 108 I HN 0.221 nan 8.210 nan 0.000 0.511 109 K N 4.636 125.010 120.400 -0.044 0.000 2.408 109 K HA 0.094 4.414 4.320 -0.000 0.000 0.231 109 K C 0.567 177.122 176.600 -0.075 0.000 1.261 109 K CA -0.116 56.153 56.287 -0.030 0.000 1.193 109 K CB -0.399 32.097 32.500 -0.008 0.000 1.431 109 K HN 0.608 nan 8.250 nan 0.000 0.243 110 T N -1.445 113.010 114.554 -0.164 0.000 2.899 110 T HA 0.204 4.554 4.350 -0.000 0.000 0.284 110 T C 0.975 175.586 174.700 -0.148 0.000 1.004 110 T CA -0.944 61.005 62.100 -0.251 0.000 1.043 110 T CB 1.402 69.956 68.868 -0.524 0.000 1.013 110 T HN 0.142 nan 8.240 nan 0.000 0.518 111 K N 0.598 120.930 120.400 -0.114 0.000 2.379 111 K HA 0.164 4.484 4.320 -0.000 0.000 0.194 111 K C 0.136 176.755 176.600 0.032 0.000 1.031 111 K CA 0.426 56.710 56.287 -0.005 0.000 1.037 111 K CB 0.080 32.587 32.500 0.011 0.000 0.824 111 K HN 0.677 nan 8.250 nan 0.000 0.516 112 Q N -0.677 119.067 119.800 -0.094 0.000 2.456 112 Q HA 0.569 4.909 4.340 -0.000 0.000 0.283 112 Q C -1.027 174.847 176.000 -0.210 0.000 1.084 112 Q CA -0.573 55.227 55.803 -0.005 0.000 0.801 112 Q CB 1.530 30.270 28.738 0.002 0.000 1.434 112 Q HN -0.141 nan 8.270 nan 0.000 0.419 113 F N 0.014 119.927 119.950 -0.062 0.000 2.611 113 F HA 0.936 5.463 4.527 -0.000 0.000 0.324 113 F C -0.489 175.284 175.800 -0.044 0.000 1.061 113 F CA -0.906 57.054 58.000 -0.066 0.000 0.954 113 F CB 2.185 41.158 39.000 -0.044 0.000 1.301 113 F HN 0.624 nan 8.300 nan 0.000 0.482 114 A N 0.703 123.595 122.820 0.120 0.000 2.547 114 A HA 0.800 5.120 4.320 -0.000 0.000 0.297 114 A C -1.276 176.341 177.584 0.055 0.000 1.056 114 A CA -0.636 51.442 52.037 0.068 0.000 0.688 114 A CB 0.907 19.921 19.000 0.023 0.000 1.282 114 A HN 1.118 nan 8.150 nan 0.000 0.400 115 A N 1.192 124.044 122.820 0.053 0.000 2.462 115 A HA 0.467 4.787 4.320 -0.000 0.000 0.243 115 A C 1.021 178.609 177.584 0.007 0.000 1.076 115 A CA 0.297 52.363 52.037 0.049 0.000 0.773 115 A CB -0.420 18.622 19.000 0.070 0.000 1.010 115 A HN 1.785 nan 8.150 nan 0.000 0.493 116 I N -0.941 119.605 120.570 -0.040 0.000 3.564 116 I HA 0.129 4.299 4.170 -0.000 0.000 0.294 116 I C 0.020 175.979 176.117 -0.262 0.000 1.289 116 I CA 0.227 61.434 61.300 -0.156 0.000 1.325 116 I CB -0.281 37.591 38.000 -0.212 0.000 1.039 116 I HN 0.477 nan 8.210 nan 0.000 0.474 117 H N 2.502 121.571 119.070 -0.002 0.000 2.511 117 H HA 0.804 5.360 4.556 -0.000 0.000 0.328 117 H C -0.600 174.725 175.328 -0.006 0.000 1.044 117 H CA -0.393 55.653 56.048 -0.004 0.000 1.212 117 H CB 1.768 31.531 29.762 0.003 0.000 1.428 117 H HN 0.386 nan 8.280 nan 0.000 0.483 118 A N 3.166 126.039 122.820 0.089 0.000 2.587 118 A HA 0.374 4.694 4.320 -0.000 0.000 0.293 118 A C -0.385 177.220 177.584 0.035 0.000 1.087 118 A CA -0.912 51.154 52.037 0.049 0.000 0.692 118 A CB 1.783 20.794 19.000 0.019 0.000 1.291 118 A HN 0.535 nan 8.150 nan 0.000 0.407 119 E N 0.600 120.816 120.200 0.026 0.000 2.390 119 E HA 0.447 4.797 4.350 -0.000 0.000 0.261 119 E C 0.441 177.049 176.600 0.013 0.000 1.076 119 E CA 0.239 56.651 56.400 0.020 0.000 0.905 119 E CB 1.381 31.092 29.700 0.018 0.000 0.984 119 E HN 0.793 nan 8.360 nan 0.000 0.427 120 A N 3.756 126.585 122.820 0.014 0.000 2.322 120 A HA 0.439 4.759 4.320 -0.000 0.000 0.269 120 A C -2.085 175.510 177.584 0.017 0.000 1.094 120 A CA -1.256 50.787 52.037 0.010 0.000 0.807 120 A CB -0.319 18.691 19.000 0.016 0.000 1.047 120 A HN 0.323 nan 8.150 nan 0.000 0.487 121 P HA 0.077 nan 4.420 nan 0.000 0.265 121 P C -0.105 177.216 177.300 0.034 0.000 1.187 121 P CA 0.157 63.264 63.100 0.013 0.000 0.766 121 P CB 0.396 32.096 31.700 0.000 0.000 0.820 122 E N 1.266 121.488 120.200 0.037 0.000 2.369 122 E HA 0.017 4.367 4.350 -0.000 0.000 0.255 122 E C 0.727 177.390 176.600 0.104 0.000 1.172 122 E CA -0.306 56.139 56.400 0.075 0.000 0.932 122 E CB 0.156 29.895 29.700 0.065 0.000 1.040 122 E HN 0.409 nan 8.360 nan 0.000 0.454 123 F N 1.509 121.459 119.950 0.001 0.000 2.269 123 F HA -0.170 4.357 4.527 -0.000 0.000 0.301 123 F C 1.712 177.512 175.800 -0.001 0.000 1.082 123 F CA 1.171 59.171 58.000 0.001 0.000 1.360 123 F CB 0.001 39.002 39.000 0.001 0.000 1.041 123 F HN 0.213 nan 8.300 nan 0.000 0.512 124 V N -2.412 117.474 119.914 -0.046 0.000 3.510 124 V HA -0.032 4.088 4.120 -0.000 0.000 0.270 124 V C 1.290 177.301 176.094 -0.138 0.000 1.201 124 V CA 1.358 63.576 62.300 -0.137 0.000 1.166 124 V CB -0.922 30.888 31.823 -0.023 0.000 0.825 124 V HN 0.374 nan 8.190 nan 0.000 0.484 125 E N -0.007 120.128 120.200 -0.108 0.000 2.474 125 E HA 0.221 4.570 4.350 -0.000 0.000 0.195 125 E C 0.476 177.013 176.600 -0.106 0.000 1.039 125 E CA -0.303 56.047 56.400 -0.083 0.000 0.881 125 E CB 0.129 29.804 29.700 -0.041 0.000 0.970 125 E HN 0.449 nan 8.360 nan 0.000 0.486 126 M N 0.787 120.283 119.600 -0.173 0.000 2.240 126 M HA 0.140 4.620 4.480 -0.000 0.000 0.333 126 M C 0.393 176.610 176.300 -0.139 0.000 1.110 126 M CA 0.006 55.213 55.300 -0.155 0.000 1.173 126 M CB 0.995 33.474 32.600 -0.202 0.000 1.458 126 M HN -0.173 nan 8.290 nan 0.000 0.458 127 S N 0.702 116.347 115.700 -0.090 0.000 2.503 127 S HA 0.627 5.097 4.470 -0.000 0.000 0.301 127 S C 0.420 174.987 174.600 -0.054 0.000 1.087 127 S CA -0.835 57.324 58.200 -0.069 0.000 1.042 127 S CB 1.095 64.267 63.200 -0.047 0.000 1.043 127 S HN 0.538 nan 8.310 nan 0.000 0.489 128 V N 0.645 120.531 119.914 -0.046 0.000 3.643 128 V HA 0.442 4.562 4.120 -0.000 0.000 0.280 128 V C 0.402 176.486 176.094 -0.016 0.000 1.351 128 V CA -0.266 62.017 62.300 -0.028 0.000 1.073 128 V CB -0.546 31.260 31.823 -0.027 0.000 0.863 128 V HN 0.700 nan 8.190 nan 0.000 0.436 129 E N 3.493 123.683 120.200 -0.018 0.000 2.442 129 E HA 0.233 4.583 4.350 -0.000 0.000 0.262 129 E C -0.117 176.483 176.600 -0.001 0.000 1.004 129 E CA 0.592 56.987 56.400 -0.009 0.000 0.928 129 E CB 0.428 30.122 29.700 -0.010 0.000 0.937 129 E HN 0.892 nan 8.360 nan 0.000 0.446 130 Q N 0.702 120.505 119.800 0.006 0.000 2.296 130 Q HA 0.559 4.899 4.340 -0.000 0.000 0.254 130 Q C -1.000 175.012 176.000 0.021 0.000 0.936 130 Q CA -0.588 55.224 55.803 0.014 0.000 0.834 130 Q CB 1.630 30.378 28.738 0.016 0.000 1.340 130 Q HN 0.280 nan 8.270 nan 0.000 0.428 131 E N 1.996 122.213 120.200 0.028 0.000 2.288 131 E HA 0.413 4.762 4.350 -0.000 0.000 0.268 131 E C -0.653 175.978 176.600 0.051 0.000 0.885 131 E CA -1.199 55.222 56.400 0.036 0.000 0.767 131 E CB 2.219 31.938 29.700 0.032 0.000 1.220 131 E HN 0.490 nan 8.360 nan 0.000 0.427 132 I N 2.588 123.192 120.570 0.058 0.000 2.710 132 I HA 0.007 4.177 4.170 -0.000 0.000 0.286 132 I C -0.732 175.432 176.117 0.077 0.000 1.181 132 I CA -0.079 61.265 61.300 0.074 0.000 1.430 132 I CB 0.406 38.456 38.000 0.083 0.000 1.367 132 I HN 0.393 nan 8.210 nan 0.000 0.577 133 L N 9.356 130.636 121.223 0.096 0.000 2.324 133 L HA 0.398 4.738 4.340 -0.000 0.000 0.274 133 L C -0.661 176.261 176.870 0.086 0.000 1.012 133 L CA -0.372 54.529 54.840 0.101 0.000 0.859 133 L CB 1.117 43.255 42.059 0.131 0.000 1.224 133 L HN 0.284 nan 8.230 nan 0.000 0.429 134 V N 4.039 123.990 119.914 0.061 0.000 2.637 134 V HA 0.217 4.337 4.120 -0.000 0.000 0.296 134 V C 1.470 177.578 176.094 0.023 0.000 1.046 134 V CA 0.652 62.971 62.300 0.033 0.000 1.066 134 V CB 1.005 32.847 31.823 0.033 0.000 0.968 134 V HN 0.918 nan 8.190 nan 0.000 0.483 135 T N -0.311 114.233 114.554 -0.018 0.000 2.990 135 T HA 0.307 4.657 4.350 -0.000 0.000 0.249 135 T C 1.373 176.051 174.700 -0.036 0.000 1.039 135 T CA 0.818 62.907 62.100 -0.017 0.000 1.036 135 T CB 0.573 69.402 68.868 -0.065 0.000 0.994 135 T HN 1.535 nan 8.240 nan 0.000 0.489 136 G N 1.620 110.400 108.800 -0.033 0.000 2.175 136 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.244 136 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.244 136 G C -0.013 174.870 174.900 -0.027 0.000 0.982 136 G CA -0.010 45.073 45.100 -0.029 0.000 0.641 136 G HN 0.654 nan 8.290 nan 0.000 0.527 137 I N 1.300 121.850 120.570 -0.033 0.000 2.297 137 I HA 0.248 4.418 4.170 -0.000 0.000 0.291 137 I C 1.633 177.765 176.117 0.024 0.000 1.033 137 I CA -0.693 60.622 61.300 0.025 0.000 1.253 137 I CB 1.246 39.275 38.000 0.048 0.000 1.396 137 I HN -0.005 nan 8.210 nan 0.000 0.476 138 K N 3.579 124.007 120.400 0.047 0.000 2.034 138 K HA -0.180 4.140 4.320 -0.000 0.000 0.214 138 K C 1.757 178.366 176.600 0.014 0.000 1.051 138 K CA 1.491 57.812 56.287 0.057 0.000 0.931 138 K CB -0.132 32.415 32.500 0.078 0.000 0.715 138 K HN 0.516 nan 8.250 nan 0.000 0.446 139 V N 0.874 120.793 119.914 0.009 0.000 2.358 139 V HA -0.209 3.911 4.120 -0.000 0.000 0.246 139 V C 2.291 178.352 176.094 -0.054 0.000 1.047 139 V CA 1.471 63.743 62.300 -0.047 0.000 1.035 139 V CB -0.418 31.404 31.823 -0.001 0.000 0.658 139 V HN 0.095 nan 8.190 nan 0.000 0.452 140 V N 0.289 120.171 119.914 -0.053 0.000 2.229 140 V HA -0.229 3.891 4.120 -0.000 0.000 0.243 140 V C 2.336 178.342 176.094 -0.147 0.000 1.042 140 V CA 2.217 64.427 62.300 -0.151 0.000 1.000 140 V CB -0.795 30.838 31.823 -0.318 0.000 0.637 140 V HN 0.494 nan 8.190 nan 0.000 0.446 141 D N -0.106 120.228 120.400 -0.111 0.000 2.190 141 D HA -0.175 4.465 4.640 -0.000 0.000 0.200 141 D C 1.902 178.274 176.300 0.121 0.000 0.992 141 D CA 1.399 55.389 54.000 -0.017 0.000 0.854 141 D CB -0.142 40.654 40.800 -0.007 0.000 0.936 141 D HN 0.364 nan 8.370 nan 0.000 0.462 142 L N -0.140 121.119 121.223 0.060 0.000 2.071 142 L HA 0.020 4.360 4.340 -0.000 0.000 0.201 142 L C 2.130 179.046 176.870 0.077 0.000 1.076 142 L CA 1.216 56.124 54.840 0.112 0.000 0.755 142 L CB -0.271 41.704 42.059 -0.141 0.000 0.915 142 L HN -0.053 nan 8.230 nan 0.000 0.445 143 L N -0.741 120.457 121.223 -0.043 0.000 2.168 143 L HA 0.239 4.579 4.340 -0.000 0.000 0.203 143 L C 0.781 177.628 176.870 -0.037 0.000 1.078 143 L CA 0.638 55.440 54.840 -0.064 0.000 0.780 143 L CB -0.247 41.761 42.059 -0.085 0.000 0.939 143 L HN 0.308 nan 8.230 nan 0.000 0.451 144 A N 0.386 123.196 122.820 -0.017 0.000 3.266 144 A HA 0.447 4.767 4.320 -0.000 0.000 0.310 144 A C -2.595 175.002 177.584 0.021 0.000 1.066 144 A CA -1.001 51.051 52.037 0.025 0.000 0.839 144 A CB -0.149 18.897 19.000 0.077 0.000 1.192 144 A HN -0.134 nan 8.150 nan 0.000 0.496 145 P HA 0.128 nan 4.420 nan 0.000 0.266 145 P C -0.660 176.710 177.300 0.118 0.000 1.195 145 P CA 0.514 63.599 63.100 -0.025 0.000 0.768 145 P CB 0.362 32.069 31.700 0.012 0.000 0.838 146 Y N 0.923 121.255 120.300 0.053 0.000 2.298 146 Y HA 0.491 5.041 4.550 -0.000 0.000 0.329 146 Y C 1.069 176.990 175.900 0.034 0.000 1.293 146 Y CA -1.391 56.736 58.100 0.043 0.000 1.388 146 Y CB 0.022 38.509 38.460 0.044 0.000 1.309 146 Y HN 0.413 nan 8.280 nan 0.000 0.544 147 A N 1.565 124.503 122.820 0.197 0.000 2.401 147 A HA 0.532 4.852 4.320 -0.000 0.000 0.310 147 A C -0.605 177.019 177.584 0.067 0.000 1.075 147 A CA -1.154 50.946 52.037 0.105 0.000 0.746 147 A CB 0.912 19.955 19.000 0.071 0.000 1.277 147 A HN 0.707 nan 8.150 nan 0.000 0.425 148 K N 0.635 121.066 120.400 0.053 0.000 2.416 148 K HA 0.373 4.693 4.320 -0.000 0.000 0.283 148 K C 1.208 177.812 176.600 0.006 0.000 1.037 148 K CA 1.536 57.841 56.287 0.030 0.000 0.995 148 K CB 0.179 32.700 32.500 0.035 0.000 0.938 148 K HN 1.677 nan 8.250 nan 0.000 0.475 149 G N 2.379 111.169 108.800 -0.018 0.000 2.155 149 G HA2 -0.244 3.715 3.960 -0.000 0.000 0.257 149 G HA3 -0.244 3.715 3.960 -0.000 0.000 0.257 149 G C 0.342 175.221 174.900 -0.035 0.000 0.983 149 G CA 0.095 45.177 45.100 -0.030 0.000 0.676 149 G HN 0.875 nan 8.290 nan 0.000 0.528 150 G N -0.806 107.974 108.800 -0.034 0.000 2.488 150 G HA2 0.605 4.565 3.960 -0.000 0.000 0.318 150 G HA3 0.605 4.565 3.960 -0.000 0.000 0.318 150 G C -0.199 174.660 174.900 -0.068 0.000 1.188 150 G CA -0.801 44.280 45.100 -0.031 0.000 0.944 150 G HN 0.337 nan 8.290 nan 0.000 0.495 151 K N 0.168 120.537 120.400 -0.052 0.000 2.248 151 K HA 0.411 4.731 4.320 -0.000 0.000 0.281 151 K C -0.849 175.696 176.600 -0.092 0.000 1.054 151 K CA -0.093 56.149 56.287 -0.075 0.000 0.903 151 K CB 1.606 34.087 32.500 -0.033 0.000 1.077 151 K HN 0.238 nan 8.250 nan 0.000 0.474 152 I N 1.442 121.906 120.570 -0.177 0.000 2.433 152 I HA 0.343 4.513 4.170 -0.000 0.000 0.292 152 I C 0.276 176.282 176.117 -0.185 0.000 1.001 152 I CA -0.534 60.617 61.300 -0.249 0.000 1.119 152 I CB 2.187 39.839 38.000 -0.580 0.000 1.289 152 I HN 0.608 nan 8.210 nan 0.000 0.438 153 G N 6.557 115.303 108.800 -0.090 0.000 2.513 153 G HA2 0.734 4.694 3.960 -0.000 0.000 0.317 153 G HA3 0.734 4.694 3.960 -0.000 0.000 0.317 153 G C -1.063 173.818 174.900 -0.031 0.000 1.277 153 G CA -0.546 44.477 45.100 -0.129 0.000 0.955 153 G HN 0.456 nan 8.290 nan 0.000 0.484 154 L N 2.067 123.218 121.223 -0.119 0.000 2.324 154 L HA 0.452 4.792 4.340 -0.000 0.000 0.274 154 L C -0.873 175.966 176.870 -0.051 0.000 1.012 154 L CA -0.638 54.225 54.840 0.038 0.000 0.859 154 L CB 0.884 42.991 42.059 0.080 0.000 1.224 154 L HN 0.300 nan 8.230 nan 0.000 0.429 155 F N 1.317 121.271 119.950 0.007 0.000 2.384 155 F HA 0.756 5.283 4.527 -0.000 0.000 0.338 155 F C 1.003 176.811 175.800 0.013 0.000 1.103 155 F CA -0.376 57.614 58.000 -0.017 0.000 1.157 155 F CB 1.907 40.892 39.000 -0.025 0.000 1.167 155 F HN 0.452 nan 8.300 nan 0.000 0.529 156 G N 0.939 109.820 108.800 0.134 0.000 2.658 156 G HA2 0.469 4.429 3.960 -0.000 0.000 0.301 156 G HA3 0.469 4.429 3.960 -0.000 0.000 0.301 156 G C -0.488 174.384 174.900 -0.045 0.000 1.481 156 G CA -0.389 44.753 45.100 0.070 0.000 0.931 156 G HN 0.938 nan 8.290 nan 0.000 0.573 157 G N 0.003 108.755 108.800 -0.079 0.000 2.590 157 G HA2 0.603 4.563 3.960 -0.000 0.000 0.276 157 G HA3 0.603 4.563 3.960 -0.000 0.000 0.276 157 G C 0.843 175.718 174.900 -0.041 0.000 1.337 157 G CA 0.417 45.406 45.100 -0.184 0.000 1.030 157 G HN 1.755 nan 8.290 nan 0.000 0.534 158 A N -1.286 121.563 122.820 0.048 0.000 2.451 158 A HA 0.547 4.867 4.320 -0.000 0.000 0.266 158 A C 1.396 179.051 177.584 0.118 0.000 1.119 158 A CA 0.944 53.113 52.037 0.221 0.000 0.786 158 A CB -0.494 18.672 19.000 0.277 0.000 1.061 158 A HN 2.564 nan 8.150 nan 0.000 0.503 159 G N 1.006 109.873 108.800 0.111 0.000 2.182 159 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.248 159 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.248 159 G C 0.596 175.536 174.900 0.066 0.000 1.042 159 G CA 0.783 45.924 45.100 0.067 0.000 0.775 159 G HN 2.157 nan 8.290 nan 0.000 0.501 160 V N -3.797 116.167 119.914 0.082 0.000 3.644 160 V HA 0.690 4.810 4.120 -0.000 0.000 0.267 160 V C 1.629 177.806 176.094 0.139 0.000 1.277 160 V CA 1.288 63.650 62.300 0.104 0.000 1.096 160 V CB 0.470 32.336 31.823 0.073 0.000 0.828 160 V HN 2.091 nan 8.190 nan 0.000 0.446 161 G N 0.292 109.153 108.800 0.101 0.000 2.276 161 G HA2 -0.152 3.807 3.960 -0.000 0.000 0.177 161 G HA3 -0.152 3.807 3.960 -0.000 0.000 0.177 161 G C 0.605 175.578 174.900 0.123 0.000 1.017 161 G CA 0.162 45.320 45.100 0.096 0.000 0.750 161 G HN 0.385 nan 8.290 nan 0.000 0.506 162 K N 0.082 120.555 120.400 0.122 0.000 2.009 162 K HA -0.082 4.238 4.320 -0.000 0.000 0.210 162 K C 2.507 179.194 176.600 0.145 0.000 1.049 162 K CA 2.039 58.405 56.287 0.132 0.000 0.929 162 K CB -0.311 32.259 32.500 0.116 0.000 0.714 162 K HN 0.268 nan 8.250 nan 0.000 0.440 163 T N 1.056 115.690 114.554 0.134 0.000 2.777 163 T HA -0.083 4.267 4.350 -0.000 0.000 0.266 163 T C 2.021 176.811 174.700 0.151 0.000 1.040 163 T CA 0.962 63.150 62.100 0.147 0.000 1.141 163 T CB -0.128 68.823 68.868 0.138 0.000 0.868 163 T HN -0.055 nan 8.240 nan 0.000 0.444 164 V N 1.442 121.445 119.914 0.147 0.000 2.490 164 V HA -0.098 4.022 4.120 -0.000 0.000 0.250 164 V C 2.329 178.587 176.094 0.274 0.000 1.061 164 V CA 1.174 63.591 62.300 0.196 0.000 1.064 164 V CB -0.519 31.387 31.823 0.139 0.000 0.670 164 V HN 0.325 nan 8.190 nan 0.000 0.461 165 L N -0.420 120.972 121.223 0.282 0.000 2.072 165 L HA -0.042 4.298 4.340 -0.000 0.000 0.205 165 L C 2.071 179.062 176.870 0.201 0.000 1.079 165 L CA 1.718 56.759 54.840 0.336 0.000 0.752 165 L CB -0.439 41.816 42.059 0.326 0.000 0.906 165 L HN 0.235 nan 8.230 nan 0.000 0.436 166 I N -1.290 119.384 120.570 0.175 0.000 2.394 166 I HA -0.272 3.898 4.170 -0.000 0.000 0.251 166 I C 2.016 178.146 176.117 0.021 0.000 1.136 166 I CA 0.832 62.217 61.300 0.141 0.000 1.425 166 I CB 0.082 38.197 38.000 0.193 0.000 1.079 166 I HN 0.287 nan 8.210 nan 0.000 0.425 167 M N -0.178 119.443 119.600 0.035 0.000 2.175 167 M HA -0.181 4.299 4.480 -0.000 0.000 0.264 167 M C 2.105 178.366 176.300 -0.064 0.000 1.063 167 M CA 1.483 56.759 55.300 -0.040 0.000 1.119 167 M CB -1.335 31.272 32.600 0.011 0.000 1.377 167 M HN 0.173 nan 8.290 nan 0.000 0.415 168 E N 0.884 121.061 120.200 -0.038 0.000 2.047 168 E HA -0.101 4.249 4.350 -0.000 0.000 0.191 168 E C 2.032 178.543 176.600 -0.147 0.000 0.987 168 E CA 1.239 57.541 56.400 -0.163 0.000 0.799 168 E CB -0.356 29.084 29.700 -0.434 0.000 0.752 168 E HN 0.482 nan 8.360 nan 0.000 0.449 169 L N 0.153 121.339 121.223 -0.061 0.000 2.083 169 L HA -0.141 4.199 4.340 -0.000 0.000 0.209 169 L C 2.497 179.369 176.870 0.003 0.000 1.083 169 L CA 1.006 55.866 54.840 0.034 0.000 0.752 169 L CB -0.390 41.786 42.059 0.196 0.000 0.899 169 L HN 0.224 nan 8.230 nan 0.000 0.433 170 I N -0.045 120.425 120.570 -0.168 0.000 2.286 170 I HA -0.302 3.868 4.170 -0.000 0.000 0.248 170 I C 2.290 178.340 176.117 -0.112 0.000 1.115 170 I CA 1.564 62.690 61.300 -0.290 0.000 1.392 170 I CB -0.375 37.302 38.000 -0.538 0.000 1.065 170 I HN 0.371 nan 8.210 nan 0.000 0.418 171 N N 1.138 119.776 118.700 -0.103 0.000 2.188 171 N HA -0.180 4.560 4.740 -0.000 0.000 0.184 171 N C 1.496 176.982 175.510 -0.040 0.000 1.018 171 N CA 1.514 54.522 53.050 -0.070 0.000 0.858 171 N CB 0.040 38.479 38.487 -0.080 0.000 0.989 171 N HN 0.183 nan 8.380 nan 0.000 0.426 172 N N -1.176 117.500 118.700 -0.040 0.000 2.392 172 N HA 0.072 4.812 4.740 -0.000 0.000 0.177 172 N C 0.777 176.305 175.510 0.029 0.000 1.066 172 N CA 0.384 53.422 53.050 -0.020 0.000 0.895 172 N CB 0.640 39.096 38.487 -0.051 0.000 0.988 172 N HN 0.136 nan 8.380 nan 0.000 0.457 173 V N -0.700 119.252 119.914 0.063 0.000 3.250 173 V HA 0.303 4.423 4.120 -0.000 0.000 0.240 173 V C 1.755 177.931 176.094 0.137 0.000 1.275 173 V CA 0.861 63.225 62.300 0.108 0.000 1.206 173 V CB 0.057 31.968 31.823 0.146 0.000 0.976 173 V HN 0.140 nan 8.190 nan 0.000 0.467 174 A N -0.264 122.642 122.820 0.144 0.000 2.132 174 A HA 0.029 4.349 4.320 -0.000 0.000 0.213 174 A C 2.076 179.753 177.584 0.155 0.000 1.154 174 A CA 0.913 53.057 52.037 0.179 0.000 0.753 174 A CB -0.158 18.963 19.000 0.201 0.000 0.826 174 A HN 0.447 nan 8.150 nan 0.000 0.469 175 K N -0.145 120.308 120.400 0.089 0.000 2.062 175 K HA 0.053 4.373 4.320 -0.000 0.000 0.205 175 K C 2.261 178.904 176.600 0.072 0.000 1.051 175 K CA 1.010 57.334 56.287 0.062 0.000 0.941 175 K CB -0.189 32.325 32.500 0.024 0.000 0.719 175 K HN 0.393 nan 8.250 nan 0.000 0.440 176 A N 1.007 123.874 122.820 0.080 0.000 1.929 176 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 176 A C 0.668 178.303 177.584 0.084 0.000 1.176 176 A CA 0.613 52.690 52.037 0.066 0.000 0.628 176 A CB -0.726 18.311 19.000 0.061 0.000 0.816 176 A HN 0.382 nan 8.150 nan 0.000 0.444 177 H N 0.053 119.139 119.070 0.026 0.000 3.195 177 H HA 0.150 4.706 4.556 -0.000 0.000 0.302 177 H C 1.369 176.693 175.328 -0.008 0.000 0.950 177 H CA 0.501 56.559 56.048 0.017 0.000 1.398 177 H CB 0.512 30.302 29.762 0.047 0.000 1.377 177 H HN 0.094 nan 8.280 nan 0.000 0.572 178 G N 3.197 111.689 108.800 -0.514 0.000 2.939 178 G HA2 0.127 4.087 3.960 -0.000 0.000 0.210 178 G HA3 0.127 4.087 3.960 -0.000 0.000 0.210 178 G C 0.985 175.539 174.900 -0.577 0.000 1.160 178 G CA 0.325 45.178 45.100 -0.412 0.000 0.770 178 G HN 0.808 nan 8.290 nan 0.000 0.543 179 G N -0.628 107.533 108.800 -1.064 0.000 2.829 179 G HA2 0.471 4.431 3.960 -0.000 0.000 0.173 179 G HA3 0.471 4.431 3.960 -0.000 0.000 0.173 179 G C -0.910 173.781 174.900 -0.348 0.000 1.476 179 G CA -0.582 44.104 45.100 -0.691 0.000 1.072 179 G HN 0.027 nan 8.290 nan 0.000 0.577 180 Y N -0.993 119.291 120.300 -0.027 0.000 2.509 180 Y HA 0.697 5.247 4.550 -0.000 0.000 0.341 180 Y C 0.406 176.304 175.900 -0.004 0.000 1.038 180 Y CA -1.364 56.643 58.100 -0.155 0.000 1.089 180 Y CB 2.166 40.200 38.460 -0.709 0.000 1.241 180 Y HN 0.287 nan 8.280 nan 0.000 0.468 181 S N 0.807 116.629 115.700 0.203 0.000 2.532 181 S HA 0.798 5.268 4.470 -0.000 0.000 0.301 181 S C -1.218 173.510 174.600 0.213 0.000 1.083 181 S CA -0.694 57.630 58.200 0.206 0.000 1.025 181 S CB 1.643 65.023 63.200 0.299 0.000 1.056 181 S HN 0.306 nan 8.310 nan 0.000 0.494 182 V N 3.148 123.201 119.914 0.232 0.000 2.531 182 V HA 0.522 4.642 4.120 -0.000 0.000 0.301 182 V C -1.250 175.008 176.094 0.275 0.000 1.034 182 V CA -0.674 61.763 62.300 0.228 0.000 0.865 182 V CB 1.401 33.326 31.823 0.170 0.000 0.995 182 V HN 0.832 nan 8.190 nan 0.000 0.424 183 F N 4.116 124.140 119.950 0.122 0.000 2.449 183 F HA 0.797 5.324 4.527 -0.000 0.000 0.342 183 F C 0.244 175.979 175.800 -0.108 0.000 1.127 183 F CA -0.571 57.476 58.000 0.078 0.000 0.975 183 F CB 1.328 40.376 39.000 0.078 0.000 1.146 183 F HN 0.562 nan 8.300 nan 0.000 0.444 184 A N 4.580 127.002 122.820 -0.663 0.000 2.256 184 A HA 0.619 4.939 4.320 -0.000 0.000 0.317 184 A C 0.092 177.220 177.584 -0.761 0.000 1.318 184 A CA -0.327 51.376 52.037 -0.557 0.000 0.894 184 A CB 0.136 18.919 19.000 -0.362 0.000 1.165 184 A HN 1.028 nan 8.150 nan 0.000 0.525 185 G N 1.522 109.848 108.800 -0.791 0.000 2.391 185 G HA2 0.487 4.447 3.960 -0.000 0.000 0.305 185 G HA3 0.487 4.447 3.960 -0.000 0.000 0.305 185 G C -0.520 174.267 174.900 -0.188 0.000 1.072 185 G CA -0.122 44.689 45.100 -0.480 0.000 1.016 185 G HN 0.723 nan 8.290 nan 0.000 0.418 186 V N 2.747 122.595 119.914 -0.111 0.000 2.326 186 V HA 0.574 4.694 4.120 -0.000 0.000 0.281 186 V C 1.131 177.233 176.094 0.013 0.000 1.015 186 V CA 0.138 62.409 62.300 -0.048 0.000 0.823 186 V CB 0.744 32.523 31.823 -0.073 0.000 1.009 186 V HN 1.269 nan 8.190 nan 0.000 0.436 187 G N 3.255 112.076 108.800 0.035 0.000 2.283 187 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.280 187 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.280 187 G C 0.220 175.151 174.900 0.051 0.000 1.029 187 G CA 0.583 45.706 45.100 0.037 0.000 0.840 187 G HN 0.595 nan 8.290 nan 0.000 0.505 188 E N -0.731 119.521 120.200 0.087 0.000 2.950 188 E HA 0.444 4.794 4.350 -0.000 0.000 0.234 188 E C 0.911 177.577 176.600 0.110 0.000 0.936 188 E CA -0.895 55.565 56.400 0.099 0.000 1.114 188 E CB 0.497 30.276 29.700 0.133 0.000 1.555 188 E HN 0.370 nan 8.360 nan 0.000 0.488 189 R N 0.402 120.974 120.500 0.119 0.000 2.298 189 R HA 0.213 4.553 4.340 -0.000 0.000 0.310 189 R C 1.133 177.494 176.300 0.102 0.000 1.068 189 R CA 0.044 56.202 56.100 0.096 0.000 0.957 189 R CB 0.447 30.798 30.300 0.085 0.000 1.003 189 R HN 0.392 nan 8.270 nan 0.000 0.454 190 T N 2.293 116.887 114.554 0.066 0.000 2.746 190 T HA -0.195 4.155 4.350 -0.000 0.000 0.267 190 T C 1.785 176.489 174.700 0.006 0.000 1.039 190 T CA 1.338 63.453 62.100 0.026 0.000 1.142 190 T CB -0.125 68.749 68.868 0.010 0.000 0.866 190 T HN 0.562 nan 8.240 nan 0.000 0.444 191 R N 1.182 121.699 120.500 0.028 0.000 2.117 191 R HA -0.175 4.165 4.340 -0.000 0.000 0.243 191 R C 2.114 178.438 176.300 0.039 0.000 1.143 191 R CA 1.885 58.003 56.100 0.030 0.000 0.968 191 R CB -0.191 30.132 30.300 0.038 0.000 0.863 191 R HN 0.502 nan 8.270 nan 0.000 0.444 192 E N -0.935 119.303 120.200 0.063 0.000 2.110 192 E HA -0.123 4.226 4.350 -0.000 0.000 0.193 192 E C 1.885 178.516 176.600 0.052 0.000 0.988 192 E CA 1.071 57.520 56.400 0.081 0.000 0.804 192 E CB -0.172 29.608 29.700 0.133 0.000 0.745 192 E HN 0.630 nan 8.360 nan 0.000 0.458 193 G N 1.011 109.810 108.800 -0.003 0.000 2.408 193 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.217 193 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.217 193 G C 1.391 176.166 174.900 -0.207 0.000 1.150 193 G CA 0.955 45.892 45.100 -0.272 0.000 0.776 193 G HN 0.224 nan 8.290 nan 0.000 0.542 194 N N 0.299 118.957 118.700 -0.071 0.000 2.270 194 N HA -0.073 4.667 4.740 -0.000 0.000 0.181 194 N C 1.621 177.259 175.510 0.214 0.000 1.016 194 N CA 1.233 54.337 53.050 0.090 0.000 0.870 194 N CB 0.022 38.577 38.487 0.113 0.000 0.979 194 N HN 0.137 nan 8.380 nan 0.000 0.431 195 D N 0.687 121.151 120.400 0.106 0.000 2.088 195 D HA -0.183 4.457 4.640 -0.000 0.000 0.191 195 D C 1.905 178.236 176.300 0.052 0.000 0.992 195 D CA 0.846 54.894 54.000 0.080 0.000 0.831 195 D CB -0.688 40.136 40.800 0.040 0.000 0.973 195 D HN 0.223 nan 8.370 nan 0.000 0.447 196 L N 0.316 121.538 121.223 -0.003 0.000 2.012 196 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 196 L C 2.368 179.221 176.870 -0.028 0.000 1.073 196 L CA 1.531 56.328 54.840 -0.072 0.000 0.748 196 L CB -1.049 40.901 42.059 -0.182 0.000 0.891 196 L HN 0.050 nan 8.230 nan 0.000 0.431 197 Y N 0.041 120.243 120.300 -0.164 0.000 2.128 197 Y HA -0.226 4.324 4.550 -0.000 0.000 0.284 197 Y C 1.821 177.571 175.900 -0.251 0.000 1.154 197 Y CA 1.381 59.344 58.100 -0.227 0.000 1.149 197 Y CB -0.511 37.748 38.460 -0.334 0.000 0.976 197 Y HN 0.338 nan 8.280 nan 0.000 0.505 201 I N 1.230 121.684 120.570 -0.192 0.000 2.252 201 I HA -0.196 3.974 4.170 -0.000 0.000 0.245 201 I C 2.381 178.435 176.117 -0.104 0.000 1.102 201 I CA 1.238 62.425 61.300 -0.188 0.000 1.385 201 I CB -0.222 37.603 38.000 -0.291 0.000 1.064 201 I HN 0.276 nan 8.210 nan 0.000 0.414 202 E N 0.807 120.957 120.200 -0.084 0.000 2.051 202 E HA -0.197 4.153 4.350 -0.000 0.000 0.192 202 E C 2.297 178.869 176.600 -0.047 0.000 0.991 202 E CA 1.845 58.212 56.400 -0.055 0.000 0.799 202 E CB -0.405 29.269 29.700 -0.044 0.000 0.748 202 E HN 0.478 nan 8.360 nan 0.000 0.449 203 S N -0.626 115.045 115.700 -0.048 0.000 2.603 203 S HA 0.069 4.539 4.470 -0.000 0.000 0.229 203 S C 1.573 176.156 174.600 -0.029 0.000 0.972 203 S CA 0.954 59.133 58.200 -0.036 0.000 0.935 203 S CB -0.254 62.925 63.200 -0.035 0.000 0.769 203 S HN 0.351 nan 8.310 nan 0.000 0.536 204 G N 0.326 109.103 108.800 -0.037 0.000 2.186 204 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.266 204 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.266 204 G C 0.740 175.630 174.900 -0.017 0.000 0.982 204 G CA 0.425 45.508 45.100 -0.028 0.000 0.670 204 G HN 0.641 nan 8.290 nan 0.000 0.533 205 V N -0.048 119.856 119.914 -0.017 0.000 2.490 205 V HA 0.115 4.235 4.120 -0.000 0.000 0.250 205 V C 1.559 177.658 176.094 0.009 0.000 1.061 205 V CA 1.813 64.116 62.300 0.006 0.000 1.064 205 V CB -0.079 31.747 31.823 0.005 0.000 0.670 205 V HN 0.506 nan 8.190 nan 0.000 0.461 206 I N 0.600 121.159 120.570 -0.017 0.000 2.433 206 I HA 0.347 4.517 4.170 -0.000 0.000 0.292 206 I C -0.381 175.715 176.117 -0.035 0.000 1.001 206 I CA -0.213 61.078 61.300 -0.015 0.000 1.119 206 I CB 1.579 39.563 38.000 -0.026 0.000 1.289 206 I HN 0.112 nan 8.210 nan 0.000 0.438 207 N N 6.913 125.603 118.700 -0.015 0.000 2.442 207 N HA 0.343 5.083 4.740 -0.000 0.000 0.274 207 N C 0.195 175.699 175.510 -0.011 0.000 1.002 207 N CA -0.416 52.622 53.050 -0.020 0.000 0.910 207 N CB 1.938 40.420 38.487 -0.009 0.000 1.244 207 N HN 0.588 nan 8.380 nan 0.000 0.492 208 L N 2.246 123.456 121.223 -0.022 0.000 2.492 208 L HA 0.071 4.411 4.340 -0.000 0.000 0.223 208 L C 1.770 178.640 176.870 -0.000 0.000 1.132 208 L CA 0.513 55.350 54.840 -0.005 0.000 0.850 208 L CB 0.011 42.061 42.059 -0.014 0.000 0.966 208 L HN 0.340 nan 8.230 nan 0.000 0.454 209 K N 0.103 120.500 120.400 -0.005 0.000 2.240 209 K HA 0.096 4.416 4.320 -0.000 0.000 0.202 209 K C 0.536 177.137 176.600 0.001 0.000 1.053 209 K CA 0.552 56.838 56.287 -0.001 0.000 0.973 209 K CB 0.061 32.558 32.500 -0.004 0.000 0.924 209 K HN 0.357 nan 8.250 nan 0.000 0.477 210 D N -0.591 119.810 120.400 0.001 0.000 2.541 210 D HA 0.350 4.990 4.640 -0.000 0.000 0.276 210 D C -0.272 176.032 176.300 0.007 0.000 1.190 210 D CA -0.715 53.288 54.000 0.005 0.000 1.095 210 D CB 0.348 41.151 40.800 0.005 0.000 1.173 210 D HN -0.033 nan 8.370 nan 0.000 0.604 211 A N -0.775 122.051 122.820 0.010 0.000 2.855 211 A HA 0.386 4.706 4.320 -0.000 0.000 0.301 211 A C 0.540 178.135 177.584 0.018 0.000 1.076 211 A CA -0.166 51.878 52.037 0.011 0.000 1.004 211 A CB -0.820 18.188 19.000 0.013 0.000 1.152 211 A HN 0.540 nan 8.150 nan 0.000 0.531 212 T N -2.542 112.023 114.554 0.018 0.000 3.186 212 T HA 0.228 4.578 4.350 -0.000 0.000 0.257 212 T C 0.485 175.204 174.700 0.031 0.000 1.029 212 T CA -0.017 62.100 62.100 0.029 0.000 0.916 212 T CB -0.307 68.574 68.868 0.021 0.000 1.041 212 T HN 0.155 nan 8.240 nan 0.000 0.562 213 S N 2.037 117.746 115.700 0.016 0.000 2.549 213 S HA 0.263 4.733 4.470 -0.000 0.000 0.283 213 S C 0.965 175.574 174.600 0.015 0.000 1.320 213 S CA -0.576 57.631 58.200 0.013 0.000 1.058 213 S CB 0.781 63.984 63.200 0.004 0.000 0.882 213 S HN 0.286 nan 8.310 nan 0.000 0.498 214 K N 1.446 121.877 120.400 0.052 0.000 2.413 214 K HA 0.270 4.590 4.320 -0.000 0.000 0.204 214 K C -0.702 175.957 176.600 0.097 0.000 1.041 214 K CA 0.191 56.551 56.287 0.121 0.000 1.082 214 K CB 0.783 33.376 32.500 0.156 0.000 0.871 214 K HN 0.374 nan 8.250 nan 0.000 0.535 215 V N 0.818 120.767 119.914 0.057 0.000 2.760 215 V HA 0.528 4.648 4.120 -0.000 0.000 0.309 215 V C -0.775 175.377 176.094 0.096 0.000 1.077 215 V CA -1.333 61.026 62.300 0.099 0.000 0.910 215 V CB 1.863 33.766 31.823 0.133 0.000 1.008 215 V HN 0.115 nan 8.190 nan 0.000 0.424 216 A N 5.103 128.008 122.820 0.141 0.000 2.305 216 A HA 0.921 5.241 4.320 -0.000 0.000 0.322 216 A C -0.900 176.792 177.584 0.180 0.000 1.187 216 A CA -0.502 51.626 52.037 0.152 0.000 0.825 216 A CB 0.762 19.881 19.000 0.199 0.000 1.164 216 A HN 0.796 nan 8.150 nan 0.000 0.498 217 L N 2.555 123.880 121.223 0.169 0.000 2.341 217 L HA 0.660 5.000 4.340 -0.000 0.000 0.278 217 L C -0.985 175.990 176.870 0.175 0.000 1.005 217 L CA -0.875 54.105 54.840 0.234 0.000 0.818 217 L CB 1.919 44.172 42.059 0.323 0.000 1.259 217 L HN 0.422 nan 8.230 nan 0.000 0.418 218 V N 2.912 122.878 119.914 0.086 0.000 2.638 218 V HA 0.506 4.626 4.120 -0.000 0.000 0.306 218 V C -1.317 174.691 176.094 -0.144 0.000 1.052 218 V CA -0.678 61.632 62.300 0.017 0.000 0.885 218 V CB 1.984 33.778 31.823 -0.048 0.000 0.999 218 V HN 0.466 nan 8.190 nan 0.000 0.424 219 Y N 1.311 121.625 120.300 0.023 0.000 2.492 219 Y HA 0.775 5.325 4.550 -0.000 0.000 0.346 219 Y C 0.451 176.357 175.900 0.011 0.000 0.997 219 Y CA -0.652 57.466 58.100 0.031 0.000 1.025 219 Y CB 2.931 41.408 38.460 0.029 0.000 1.263 219 Y HN 0.736 nan 8.280 nan 0.000 0.454 220 G N 3.349 112.243 108.800 0.156 0.000 2.965 220 G HA2 0.325 4.285 3.960 -0.000 0.000 0.301 220 G HA3 0.325 4.285 3.960 -0.000 0.000 0.301 220 G C -1.270 173.687 174.900 0.095 0.000 1.878 220 G CA -0.618 44.538 45.100 0.093 0.000 0.828 220 G HN 0.276 nan 8.290 nan 0.000 0.435 221 Q N 1.233 121.103 119.800 0.116 0.000 2.162 221 Q HA 0.322 4.662 4.340 -0.000 0.000 0.197 221 Q C 1.952 177.987 176.000 0.059 0.000 1.013 221 Q CA -0.831 55.035 55.803 0.105 0.000 1.040 221 Q CB 0.820 29.637 28.738 0.132 0.000 1.114 221 Q HN 0.747 nan 8.270 nan 0.000 0.547 222 M N -0.193 119.438 119.600 0.050 0.000 2.686 222 M HA -0.021 4.459 4.480 -0.000 0.000 0.246 222 M C 0.638 176.952 176.300 0.023 0.000 1.096 222 M CA 1.008 56.325 55.300 0.028 0.000 1.076 222 M CB -0.389 32.223 32.600 0.021 0.000 1.504 222 M HN 0.350 nan 8.290 nan 0.000 0.524 223 N N 0.321 119.038 118.700 0.029 0.000 2.422 223 N HA 0.020 4.760 4.740 -0.000 0.000 0.181 223 N C -0.130 175.390 175.510 0.018 0.000 1.080 223 N CA 0.396 53.458 53.050 0.021 0.000 0.893 223 N CB -0.144 38.356 38.487 0.021 0.000 0.973 223 N HN 0.453 nan 8.380 nan 0.000 0.456 224 E N 1.901 122.114 120.200 0.021 0.000 2.319 224 E HA 0.324 4.674 4.350 -0.000 0.000 0.268 224 E C -2.212 174.394 176.600 0.009 0.000 1.050 224 E CA -1.890 54.520 56.400 0.017 0.000 0.878 224 E CB 0.831 30.545 29.700 0.023 0.000 1.066 224 E HN 0.217 nan 8.360 nan 0.000 0.406 225 P HA 0.058 nan 4.420 nan 0.000 0.272 225 P C -1.987 175.310 177.300 -0.004 0.000 1.240 225 P CA -1.104 61.997 63.100 0.000 0.000 0.791 225 P CB 0.030 31.732 31.700 0.002 0.000 0.978 226 P HA -0.180 nan 4.420 nan 0.000 0.215 226 P C 1.689 178.976 177.300 -0.022 0.000 1.153 226 P CA 1.988 65.072 63.100 -0.027 0.000 0.853 226 P CB -0.738 30.939 31.700 -0.038 0.000 0.788 227 G N 0.589 109.384 108.800 -0.008 0.000 2.446 227 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.217 227 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.217 227 G C 1.821 176.729 174.900 0.012 0.000 1.168 227 G CA 1.320 46.422 45.100 0.004 0.000 0.771 227 G HN 0.386 nan 8.290 nan 0.000 0.551 228 A N 0.529 123.357 122.820 0.012 0.000 1.898 228 A HA 0.035 4.355 4.320 -0.000 0.000 0.216 228 A C 2.426 180.020 177.584 0.017 0.000 1.181 228 A CA 1.531 53.578 52.037 0.017 0.000 0.620 228 A CB -0.340 18.671 19.000 0.018 0.000 0.819 228 A HN 0.353 nan 8.150 nan 0.000 0.442 229 R N -0.677 119.827 120.500 0.008 0.000 2.235 229 R HA 0.051 4.391 4.340 -0.000 0.000 0.213 229 R C 2.054 178.366 176.300 0.020 0.000 1.059 229 R CA 0.820 56.924 56.100 0.007 0.000 0.997 229 R CB -0.243 30.050 30.300 -0.010 0.000 0.884 229 R HN 0.501 nan 8.270 nan 0.000 0.462 230 A N 0.352 123.178 122.820 0.011 0.000 2.169 230 A HA 0.028 4.347 4.320 -0.000 0.000 0.212 230 A C 1.641 179.315 177.584 0.150 0.000 1.153 230 A CA 0.590 52.643 52.037 0.027 0.000 0.756 230 A CB 0.223 19.188 19.000 -0.058 0.000 0.813 230 A HN 0.055 nan 8.150 nan 0.000 0.471 231 R N -0.803 119.747 120.500 0.084 0.000 2.419 231 R HA 0.077 4.417 4.340 -0.000 0.000 0.235 231 R C 1.763 178.059 176.300 -0.006 0.000 0.899 231 R CA 1.168 57.296 56.100 0.048 0.000 1.048 231 R CB -0.467 29.849 30.300 0.026 0.000 1.182 231 R HN 0.470 nan 8.270 nan 0.000 0.544 232 V N -0.843 119.071 119.914 -0.000 0.000 2.469 232 V HA -0.097 4.023 4.120 -0.000 0.000 0.251 232 V C 2.368 178.417 176.094 -0.074 0.000 1.064 232 V CA 1.858 64.139 62.300 -0.033 0.000 1.066 232 V CB -1.125 30.684 31.823 -0.023 0.000 0.667 232 V HN 0.116 nan 8.190 nan 0.000 0.461 233 A N 0.895 123.672 122.820 -0.072 0.000 1.902 233 A HA -0.049 4.271 4.320 -0.000 0.000 0.217 233 A C 2.277 179.756 177.584 -0.176 0.000 1.181 233 A CA 2.112 54.061 52.037 -0.147 0.000 0.623 233 A CB -0.629 18.257 19.000 -0.190 0.000 0.818 233 A HN 0.555 nan 8.150 nan 0.000 0.443 234 L N -0.686 120.438 121.223 -0.165 0.000 2.046 234 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 234 L C 2.808 179.583 176.870 -0.157 0.000 1.077 234 L CA 1.904 56.630 54.840 -0.190 0.000 0.747 234 L CB -1.307 40.609 42.059 -0.237 0.000 0.896 234 L HN 0.377 nan 8.230 nan 0.000 0.432 235 T N -0.091 114.386 114.554 -0.128 0.000 2.635 235 T HA -0.177 4.173 4.350 -0.000 0.000 0.267 235 T C 1.829 176.471 174.700 -0.098 0.000 1.040 235 T CA 1.576 63.616 62.100 -0.101 0.000 1.156 235 T CB -0.684 68.141 68.868 -0.071 0.000 0.863 235 T HN 0.569 nan 8.240 nan 0.000 0.430 236 G N 1.977 110.713 108.800 -0.107 0.000 2.418 236 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.217 236 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.217 236 G C 1.564 176.408 174.900 -0.094 0.000 1.158 236 G CA 1.204 46.243 45.100 -0.102 0.000 0.771 236 G HN 0.590 nan 8.290 nan 0.000 0.545 237 L N -1.033 120.119 121.223 -0.119 0.000 2.291 237 L HA 0.239 4.579 4.340 -0.000 0.000 0.214 237 L C 2.378 179.200 176.870 -0.080 0.000 1.120 237 L CA 2.171 56.947 54.840 -0.106 0.000 0.799 237 L CB -1.134 40.841 42.059 -0.140 0.000 0.925 237 L HN -0.033 nan 8.230 nan 0.000 0.446 238 T N 0.018 114.518 114.554 -0.090 0.000 2.777 238 T HA -0.098 4.252 4.350 -0.000 0.000 0.266 238 T C 2.013 176.666 174.700 -0.077 0.000 1.040 238 T CA 1.732 63.786 62.100 -0.076 0.000 1.141 238 T CB -0.379 68.438 68.868 -0.085 0.000 0.868 238 T HN 0.237 nan 8.240 nan 0.000 0.444 239 V N 1.852 121.710 119.914 -0.094 0.000 2.295 239 V HA -0.186 3.934 4.120 -0.000 0.000 0.246 239 V C 2.908 178.941 176.094 -0.103 0.000 1.049 239 V CA 1.750 63.966 62.300 -0.140 0.000 1.024 239 V CB -1.260 30.512 31.823 -0.086 0.000 0.648 239 V HN 0.525 nan 8.190 nan 0.000 0.447 240 A N -0.375 122.456 122.820 0.020 0.000 1.933 240 A HA -0.253 4.067 4.320 -0.000 0.000 0.218 240 A C 2.167 179.807 177.584 0.093 0.000 1.175 240 A CA 1.907 54.022 52.037 0.129 0.000 0.628 240 A CB -0.499 18.542 19.000 0.068 0.000 0.814 240 A HN 0.636 nan 8.150 nan 0.000 0.444 241 E N -1.659 118.553 120.200 0.019 0.000 2.085 241 E HA -0.237 4.113 4.350 -0.000 0.000 0.194 241 E C 1.832 178.439 176.600 0.013 0.000 0.994 241 E CA 1.524 57.930 56.400 0.011 0.000 0.801 241 E CB -0.341 29.352 29.700 -0.011 0.000 0.743 241 E HN 0.807 nan 8.360 nan 0.000 0.453 242 Y N 0.448 120.658 120.300 -0.150 0.000 2.128 242 Y HA -0.281 4.269 4.550 -0.000 0.000 0.284 242 Y C 1.832 177.662 175.900 -0.117 0.000 1.154 242 Y CA 1.592 59.574 58.100 -0.196 0.000 1.149 242 Y CB -0.240 38.005 38.460 -0.359 0.000 0.976 242 Y HN -0.053 nan 8.280 nan 0.000 0.505 243 F N 0.331 120.403 119.950 0.202 0.000 2.134 243 F HA -0.168 4.359 4.527 -0.000 0.000 0.299 243 F C 2.754 178.570 175.800 0.026 0.000 1.097 243 F CA 1.862 59.959 58.000 0.162 0.000 1.264 243 F CB -1.062 38.092 39.000 0.256 0.000 1.001 243 F HN -0.003 nan 8.300 nan 0.000 0.479 244 R N 0.381 120.990 120.500 0.181 0.000 2.080 244 R HA -0.170 4.170 4.340 -0.000 0.000 0.236 244 R C 1.693 177.990 176.300 -0.005 0.000 1.137 244 R CA 2.257 58.401 56.100 0.073 0.000 0.943 244 R CB -0.363 29.962 30.300 0.042 0.000 0.846 244 R HN 0.171 nan 8.270 nan 0.000 0.431 245 D N -0.083 120.278 120.400 -0.065 0.000 2.197 245 D HA -0.060 4.580 4.640 -0.000 0.000 0.212 245 D C 1.421 177.610 176.300 -0.186 0.000 0.963 245 D CA 0.840 54.776 54.000 -0.108 0.000 0.864 245 D CB -0.094 40.644 40.800 -0.104 0.000 1.009 245 D HN 0.202 nan 8.370 nan 0.000 0.479 246 Q N 0.336 119.904 119.800 -0.388 0.000 2.282 246 Q HA 0.130 4.470 4.340 -0.000 0.000 0.205 246 Q C 0.381 176.179 176.000 -0.336 0.000 0.915 246 Q CA 0.384 55.875 55.803 -0.520 0.000 0.949 246 Q CB 0.891 28.927 28.738 -1.170 0.000 1.035 246 Q HN 0.467 nan 8.270 nan 0.000 0.484 247 E N -2.007 118.105 120.200 -0.147 0.000 2.552 247 E HA 0.107 4.457 4.350 -0.000 0.000 0.189 247 E C 0.854 177.457 176.600 0.005 0.000 0.970 247 E CA 0.395 56.794 56.400 -0.002 0.000 1.571 247 E CB 0.699 30.498 29.700 0.164 0.000 2.223 247 E HN 0.281 nan 8.360 nan 0.000 1.018 248 G N 2.172 110.969 108.800 -0.006 0.000 2.934 248 G HA2 -0.470 3.490 3.960 -0.000 0.000 0.231 248 G HA3 -0.470 3.490 3.960 -0.000 0.000 0.231 248 G C 0.472 175.371 174.900 -0.001 0.000 1.235 248 G CA 0.961 46.056 45.100 -0.008 0.000 0.812 248 G HN 0.344 nan 8.290 nan 0.000 0.521 249 Q N 1.819 121.608 119.800 -0.019 0.000 2.342 249 Q HA 0.147 4.487 4.340 -0.000 0.000 0.330 249 Q C -0.297 175.680 176.000 -0.039 0.000 1.117 249 Q CA 0.577 56.338 55.803 -0.070 0.000 1.010 249 Q CB 0.027 28.664 28.738 -0.168 0.000 1.204 249 Q HN 0.525 nan 8.270 nan 0.000 0.400 250 D N 1.720 122.098 120.400 -0.037 0.000 2.583 250 D HA 0.060 4.700 4.640 -0.000 0.000 0.232 250 D C -1.044 175.334 176.300 0.129 0.000 1.128 250 D CA 0.471 54.502 54.000 0.051 0.000 0.859 250 D CB 0.558 41.426 40.800 0.112 0.000 1.169 250 D HN 0.191 nan 8.370 nan 0.000 0.481 251 V N 3.689 123.665 119.914 0.103 0.000 2.656 251 V HA 0.369 4.489 4.120 -0.000 0.000 0.307 251 V C 0.009 176.062 176.094 -0.068 0.000 1.051 251 V CA -0.891 61.461 62.300 0.087 0.000 0.893 251 V CB 1.716 33.616 31.823 0.128 0.000 0.999 251 V HN 0.348 nan 8.190 nan 0.000 0.426 252 L N 5.052 126.181 121.223 -0.157 0.000 2.309 252 L HA 0.643 4.983 4.340 -0.000 0.000 0.282 252 L C -0.891 175.787 176.870 -0.321 0.000 1.036 252 L CA -0.650 53.973 54.840 -0.361 0.000 0.806 252 L CB 1.671 43.476 42.059 -0.424 0.000 1.220 252 L HN 0.457 nan 8.230 nan 0.000 0.429 253 L N 3.936 124.847 121.223 -0.521 0.000 2.404 253 L HA 0.573 4.913 4.340 -0.000 0.000 0.272 253 L C -1.473 175.072 176.870 -0.541 0.000 0.980 253 L CA 0.064 54.688 54.840 -0.360 0.000 0.836 253 L CB 1.270 43.206 42.059 -0.206 0.000 1.238 253 L HN 0.203 nan 8.230 nan 0.000 0.408 254 F N 5.922 125.801 119.950 -0.118 0.000 2.458 254 F HA 0.651 5.178 4.527 -0.000 0.000 0.336 254 F C -0.005 175.497 175.800 -0.497 0.000 1.114 254 F CA -0.580 57.306 58.000 -0.190 0.000 0.987 254 F CB 1.602 40.625 39.000 0.038 0.000 1.130 254 F HN 0.219 nan 8.300 nan 0.000 0.458 255 I N 2.810 123.222 120.570 -0.263 0.000 2.439 255 I HA 0.293 4.463 4.170 -0.000 0.000 0.285 255 I C -1.325 174.628 176.117 -0.274 0.000 1.021 255 I CA -0.514 60.560 61.300 -0.376 0.000 1.091 255 I CB 1.857 39.701 38.000 -0.261 0.000 1.242 255 I HN 0.429 nan 8.210 nan 0.000 0.439 256 D N 6.270 126.471 120.400 -0.332 0.000 2.469 256 D HA 0.281 4.921 4.640 -0.000 0.000 0.251 256 D C -1.237 175.034 176.300 -0.048 0.000 1.173 256 D CA -0.162 53.789 54.000 -0.081 0.000 0.882 256 D CB 1.213 42.070 40.800 0.095 0.000 1.129 256 D HN 0.435 nan 8.370 nan 0.000 0.549 257 N N 4.728 123.425 118.700 -0.005 0.000 2.295 257 N HA 0.157 4.897 4.740 -0.000 0.000 0.293 257 N C 0.406 175.940 175.510 0.040 0.000 1.040 257 N CA -0.495 52.573 53.050 0.030 0.000 0.840 257 N CB 1.636 40.189 38.487 0.109 0.000 1.468 257 N HN 0.339 nan 8.380 nan 0.000 0.478 258 I N 3.468 124.038 120.570 0.001 0.000 3.001 258 I HA -0.112 4.058 4.170 -0.000 0.000 0.268 258 I C 1.409 177.595 176.117 0.116 0.000 1.267 258 I CA 0.351 61.651 61.300 -0.000 0.000 1.472 258 I CB -0.507 37.429 38.000 -0.107 0.000 1.089 258 I HN 0.546 nan 8.210 nan 0.000 0.468 259 F N 2.385 122.359 119.950 0.040 0.000 2.126 259 F HA -0.229 4.298 4.527 -0.000 0.000 0.299 259 F C 2.362 178.238 175.800 0.127 0.000 1.096 259 F CA 1.517 59.581 58.000 0.107 0.000 1.255 259 F CB -0.388 38.715 39.000 0.172 0.000 0.997 259 F HN -0.030 nan 8.300 nan 0.000 0.479 260 R N 0.166 120.640 120.500 -0.043 0.000 2.211 260 R HA -0.243 4.097 4.340 -0.000 0.000 0.240 260 R C 2.153 178.363 176.300 -0.150 0.000 1.144 260 R CA 1.577 57.584 56.100 -0.153 0.000 0.992 260 R CB -1.864 28.440 30.300 0.008 0.000 0.869 260 R HN 0.544 nan 8.270 nan 0.000 0.462 261 F N 1.307 121.136 119.950 -0.202 0.000 2.146 261 F HA -0.128 4.399 4.527 -0.000 0.000 0.298 261 F C 1.964 177.654 175.800 -0.183 0.000 1.096 261 F CA 1.528 59.433 58.000 -0.158 0.000 1.275 261 F CB -0.376 38.548 39.000 -0.127 0.000 1.008 261 F HN -0.149 nan 8.300 nan 0.000 0.480 262 T N 0.181 114.516 114.554 -0.364 0.000 2.857 262 T HA -0.183 4.167 4.350 -0.000 0.000 0.266 262 T C 1.894 176.358 174.700 -0.393 0.000 1.048 262 T CA 1.427 63.264 62.100 -0.439 0.000 1.139 262 T CB -0.292 68.460 68.868 -0.194 0.000 0.874 262 T HN 0.442 nan 8.240 nan 0.000 0.455 263 Q N 0.477 119.927 119.800 -0.584 0.000 2.119 263 Q HA -0.045 4.295 4.340 -0.000 0.000 0.201 263 Q C 2.510 178.367 176.000 -0.239 0.000 0.972 263 Q CA 1.250 56.808 55.803 -0.409 0.000 0.847 263 Q CB -0.233 28.168 28.738 -0.562 0.000 0.903 263 Q HN 0.524 nan 8.270 nan 0.000 0.433 264 A N 0.623 123.289 122.820 -0.257 0.000 1.883 264 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 264 A C 2.278 179.754 177.584 -0.180 0.000 1.186 264 A CA 1.773 53.703 52.037 -0.178 0.000 0.624 264 A CB -1.443 17.463 19.000 -0.157 0.000 0.822 264 A HN 0.595 nan 8.150 nan 0.000 0.444 265 G N -0.290 108.346 108.800 -0.274 0.000 2.442 265 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.219 265 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.219 265 G C 1.947 176.771 174.900 -0.127 0.000 1.141 265 G CA 1.897 46.856 45.100 -0.235 0.000 0.763 265 G HN 0.947 nan 8.290 nan 0.000 0.554 266 S N 0.191 115.830 115.700 -0.101 0.000 2.461 266 S HA 0.040 4.510 4.470 -0.000 0.000 0.228 266 S C 1.898 176.458 174.600 -0.067 0.000 1.005 266 S CA 1.222 59.390 58.200 -0.052 0.000 0.942 266 S CB -0.175 63.004 63.200 -0.035 0.000 0.776 266 S HN 0.558 nan 8.310 nan 0.000 0.514 267 E N 0.955 121.110 120.200 -0.076 0.000 2.204 267 E HA -0.073 4.277 4.350 -0.000 0.000 0.195 267 E C 1.924 178.498 176.600 -0.044 0.000 0.990 267 E CA 1.537 57.903 56.400 -0.057 0.000 0.821 267 E CB -0.156 29.511 29.700 -0.054 0.000 0.750 267 E HN 0.719 nan 8.360 nan 0.000 0.477 268 V N -2.816 117.070 119.914 -0.047 0.000 3.578 268 V HA 0.159 4.279 4.120 -0.000 0.000 0.290 268 V C 1.990 178.068 176.094 -0.027 0.000 1.376 268 V CA 0.504 62.784 62.300 -0.033 0.000 1.083 268 V CB 0.763 32.567 31.823 -0.031 0.000 0.911 268 V HN 0.029 nan 8.190 nan 0.000 0.433 269 S N 1.934 117.616 115.700 -0.030 0.000 2.359 269 S HA -0.235 4.235 4.470 -0.000 0.000 0.223 269 S C 2.193 176.787 174.600 -0.010 0.000 1.039 269 S CA 2.565 60.754 58.200 -0.019 0.000 1.042 269 S CB -0.516 62.677 63.200 -0.012 0.000 0.915 269 S HN 1.055 nan 8.310 nan 0.000 0.439 270 A N 1.148 123.961 122.820 -0.012 0.000 1.933 270 A HA 0.054 4.374 4.320 -0.000 0.000 0.218 270 A C 2.223 179.804 177.584 -0.005 0.000 1.175 270 A CA 1.423 53.455 52.037 -0.007 0.000 0.628 270 A CB -0.756 18.238 19.000 -0.010 0.000 0.814 270 A HN 0.597 nan 8.150 nan 0.000 0.444 271 L N -0.736 120.482 121.223 -0.007 0.000 2.191 271 L HA -0.097 4.242 4.340 -0.000 0.000 0.212 271 L C 1.895 178.765 176.870 -0.000 0.000 1.103 271 L CA 0.687 55.525 54.840 -0.004 0.000 0.769 271 L CB -0.382 41.673 42.059 -0.006 0.000 0.908 271 L HN 0.364 nan 8.230 nan 0.000 0.438 272 L N -0.330 120.892 121.223 -0.002 0.000 2.599 272 L HA 0.106 4.446 4.340 -0.000 0.000 0.230 272 L C 1.370 178.244 176.870 0.005 0.000 1.141 272 L CA 0.491 55.333 54.840 0.002 0.000 0.877 272 L CB -0.450 41.608 42.059 -0.001 0.000 1.009 272 L HN 0.475 nan 8.230 nan 0.000 0.447 273 G N 0.449 109.251 108.800 0.004 0.000 2.136 273 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.242 273 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.242 273 G C 0.127 175.031 174.900 0.006 0.000 0.989 273 G CA -0.216 44.887 45.100 0.006 0.000 0.682 273 G HN 0.291 nan 8.290 nan 0.000 0.522 274 R N -0.263 120.240 120.500 0.005 0.000 2.459 274 R HA 0.625 4.965 4.340 -0.000 0.000 0.281 274 R C 1.042 177.348 176.300 0.010 0.000 1.050 274 R CA -0.695 55.410 56.100 0.008 0.000 1.055 274 R CB 0.602 30.908 30.300 0.009 0.000 1.045 274 R HN 0.183 nan 8.270 nan 0.000 0.495 275 I N 4.848 125.426 120.570 0.013 0.000 2.496 275 I HA 0.143 4.313 4.170 -0.000 0.000 0.285 275 I C -1.711 174.419 176.117 0.020 0.000 1.080 275 I CA -2.212 59.097 61.300 0.014 0.000 1.404 275 I CB 0.636 38.645 38.000 0.015 0.000 1.403 275 I HN 0.389 nan 8.210 nan 0.000 0.539 276 P HA 0.060 nan 4.420 nan 0.000 0.268 276 P C -0.090 177.236 177.300 0.044 0.000 1.205 276 P CA -0.033 63.084 63.100 0.029 0.000 0.771 276 P CB 1.206 32.916 31.700 0.017 0.000 0.858 277 S N 1.507 117.248 115.700 0.069 0.000 2.623 277 S HA 0.612 5.082 4.470 -0.000 0.000 0.278 277 S C 0.111 174.769 174.600 0.096 0.000 1.148 277 S CA -0.370 57.878 58.200 0.080 0.000 1.028 277 S CB 0.205 63.461 63.200 0.094 0.000 1.145 277 S HN 0.606 nan 8.310 nan 0.000 0.523 278 A N 0.210 123.093 122.820 0.106 0.000 2.483 278 A HA 0.434 4.754 4.320 -0.000 0.000 0.238 278 A C 0.912 178.600 177.584 0.174 0.000 1.070 278 A CA 0.293 52.397 52.037 0.112 0.000 0.770 278 A CB -0.672 18.386 19.000 0.098 0.000 1.008 278 A HN 1.649 nan 8.150 nan 0.000 0.497 279 V N 0.865 120.854 119.914 0.125 0.000 4.112 279 V HA -0.291 3.829 4.120 -0.000 0.000 0.233 279 V C 1.673 177.759 176.094 -0.014 0.000 0.458 279 V CA 1.643 64.007 62.300 0.106 0.000 0.909 279 V CB -2.535 29.421 31.823 0.220 0.000 0.963 279 V HN 2.900 nan 8.190 nan 0.000 1.260 280 G N -2.587 106.207 108.800 -0.010 0.000 2.155 280 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.257 280 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.257 280 G C -0.199 174.622 174.900 -0.131 0.000 0.983 280 G CA 0.550 45.597 45.100 -0.088 0.000 0.676 280 G HN 0.883 nan 8.290 nan 0.000 0.528 281 Y N 0.952 121.271 120.300 0.032 0.000 2.374 281 Y HA 0.499 5.049 4.550 -0.000 0.000 0.322 281 Y C 1.190 177.094 175.900 0.006 0.000 1.275 281 Y CA -0.481 57.631 58.100 0.020 0.000 1.307 281 Y CB 0.585 39.067 38.460 0.037 0.000 1.282 281 Y HN 0.350 nan 8.280 nan 0.000 0.509 282 Q N 2.368 122.283 119.800 0.191 0.000 2.337 282 Q HA 0.088 4.428 4.340 -0.000 0.000 0.270 282 Q C -2.394 173.655 176.000 0.082 0.000 1.002 282 Q CA -1.604 54.252 55.803 0.089 0.000 0.888 282 Q CB 0.811 29.574 28.738 0.041 0.000 1.222 282 Q HN 0.390 nan 8.270 nan 0.000 0.400 283 P HA -0.088 nan 4.420 nan 0.000 0.225 283 P C 0.846 178.167 177.300 0.035 0.000 1.148 283 P CA 1.444 64.570 63.100 0.045 0.000 0.779 283 P CB -0.016 31.704 31.700 0.033 0.000 0.780 284 T N -4.223 110.348 114.554 0.028 0.000 3.206 284 T HA 0.162 4.512 4.350 -0.000 0.000 0.253 284 T C 1.432 176.147 174.700 0.024 0.000 1.042 284 T CA -0.333 61.782 62.100 0.024 0.000 0.931 284 T CB -0.997 67.881 68.868 0.015 0.000 1.029 284 T HN -0.007 nan 8.240 nan 0.000 0.564 285 L N 1.184 122.417 121.223 0.017 0.000 1.997 285 L HA -0.111 4.229 4.340 -0.000 0.000 0.216 285 L C 2.787 179.678 176.870 0.036 0.000 1.074 285 L CA 2.134 56.971 54.840 -0.004 0.000 0.763 285 L CB -0.776 41.243 42.059 -0.066 0.000 0.890 285 L HN 0.385 nan 8.230 nan 0.000 0.434 286 A N -0.553 122.295 122.820 0.046 0.000 1.877 286 A HA -0.231 4.089 4.320 -0.000 0.000 0.216 286 A C 2.372 180.015 177.584 0.099 0.000 1.186 286 A CA 2.465 54.551 52.037 0.081 0.000 0.620 286 A CB -1.331 17.708 19.000 0.066 0.000 0.822 286 A HN 0.665 nan 8.150 nan 0.000 0.443 287 T N -2.406 112.193 114.554 0.074 0.000 2.821 287 T HA -0.134 4.215 4.350 -0.000 0.000 0.267 287 T C 1.416 176.170 174.700 0.090 0.000 1.046 287 T CA 1.482 63.626 62.100 0.073 0.000 1.139 287 T CB -0.501 68.397 68.868 0.051 0.000 0.871 287 T HN 0.319 nan 8.240 nan 0.000 0.454 288 D N 1.016 121.476 120.400 0.101 0.000 2.104 288 D HA -0.084 4.556 4.640 -0.000 0.000 0.194 288 D C 1.972 178.423 176.300 0.252 0.000 0.994 288 D CA 1.251 55.353 54.000 0.169 0.000 0.830 288 D CB -0.439 40.435 40.800 0.123 0.000 0.959 288 D HN 0.405 nan 8.370 nan 0.000 0.452 289 M N 0.139 119.869 119.600 0.217 0.000 2.159 289 M HA -0.078 4.402 4.480 -0.000 0.000 0.263 289 M C 1.968 178.223 176.300 -0.075 0.000 1.063 289 M CA 1.888 57.262 55.300 0.123 0.000 1.110 289 M CB -0.114 32.553 32.600 0.113 0.000 1.374 289 M HN 0.023 nan 8.290 nan 0.000 0.411 290 G N -0.625 108.195 108.800 0.034 0.000 2.404 290 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.215 290 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.215 290 G C 1.407 176.309 174.900 0.003 0.000 1.174 290 G CA 1.388 46.528 45.100 0.066 0.000 0.780 290 G HN 0.583 nan 8.290 nan 0.000 0.537 291 T N -1.900 112.665 114.554 0.017 0.000 3.007 291 T HA 0.041 4.391 4.350 -0.000 0.000 0.270 291 T C 2.103 176.777 174.700 -0.045 0.000 1.107 291 T CA 1.439 63.545 62.100 0.009 0.000 1.118 291 T CB -0.049 68.844 68.868 0.041 0.000 0.889 291 T HN 0.219 nan 8.240 nan 0.000 0.506 292 M N -0.322 119.204 119.600 -0.123 0.000 2.398 292 M HA 0.093 4.573 4.480 -0.000 0.000 0.261 292 M C 2.300 178.442 176.300 -0.262 0.000 1.125 292 M CA 0.836 55.988 55.300 -0.246 0.000 1.183 292 M CB -0.133 32.161 32.600 -0.511 0.000 1.322 292 M HN 0.113 nan 8.290 nan 0.000 0.467 293 Q N 0.791 120.397 119.800 -0.323 0.000 2.181 293 Q HA -0.154 4.186 4.340 -0.000 0.000 0.205 293 Q C 1.620 177.524 176.000 -0.161 0.000 0.980 293 Q CA 1.272 56.873 55.803 -0.336 0.000 0.862 293 Q CB -0.399 27.916 28.738 -0.705 0.000 0.905 293 Q HN 0.558 nan 8.270 nan 0.000 0.429 294 E N 0.259 120.409 120.200 -0.083 0.000 2.472 294 E HA -0.110 4.240 4.350 -0.000 0.000 0.200 294 E C 1.653 178.238 176.600 -0.025 0.000 1.046 294 E CA 0.410 56.810 56.400 -0.001 0.000 0.871 294 E CB 0.031 29.755 29.700 0.040 0.000 0.806 294 E HN 0.303 nan 8.360 nan 0.000 0.533 295 R N -0.073 120.388 120.500 -0.065 0.000 2.210 295 R HA 0.187 4.527 4.340 -0.000 0.000 0.203 295 R C 0.886 177.143 176.300 -0.072 0.000 1.010 295 R CA 0.117 56.180 56.100 -0.061 0.000 1.008 295 R CB 0.322 30.577 30.300 -0.075 0.000 0.923 295 R HN 0.044 nan 8.270 nan 0.000 0.469 296 I N 1.689 122.202 120.570 -0.096 0.000 2.243 296 I HA 0.075 4.245 4.170 -0.000 0.000 0.297 296 I C -0.080 175.995 176.117 -0.070 0.000 1.161 296 I CA 0.241 61.481 61.300 -0.100 0.000 1.298 296 I CB 0.620 38.536 38.000 -0.141 0.000 1.475 296 I HN -0.074 nan 8.210 nan 0.000 0.561 297 T N 2.778 117.300 114.554 -0.054 0.000 2.893 297 T HA 0.226 4.576 4.350 -0.000 0.000 0.337 297 T C -0.344 174.335 174.700 -0.034 0.000 1.587 297 T CA -0.381 61.697 62.100 -0.037 0.000 1.066 297 T CB 1.570 70.427 68.868 -0.018 0.000 1.414 297 T HN 0.314 nan 8.240 nan 0.000 0.488 298 T N 3.335 117.870 114.554 -0.032 0.000 2.898 298 T HA 0.610 4.960 4.350 -0.000 0.000 0.301 298 T C 0.421 175.104 174.700 -0.029 0.000 1.049 298 T CA 0.020 62.103 62.100 -0.029 0.000 1.095 298 T CB 0.720 69.571 68.868 -0.028 0.000 0.976 298 T HN 0.925 nan 8.240 nan 0.000 0.539 299 T N -0.564 113.972 114.554 -0.029 0.000 2.804 299 T HA 0.469 4.819 4.350 -0.000 0.000 0.290 299 T C 0.872 175.550 174.700 -0.037 0.000 1.099 299 T CA -1.050 61.028 62.100 -0.036 0.000 1.011 299 T CB 1.460 70.308 68.868 -0.032 0.000 1.291 299 T HN 0.372 nan 8.240 nan 0.000 0.523 300 K N 0.123 120.497 120.400 -0.043 0.000 2.211 300 K HA 0.019 4.339 4.320 -0.000 0.000 0.203 300 K C 2.130 178.710 176.600 -0.033 0.000 1.050 300 K CA 0.984 57.246 56.287 -0.041 0.000 0.945 300 K CB -0.079 32.393 32.500 -0.047 0.000 0.732 300 K HN 0.472 nan 8.250 nan 0.000 0.451 301 K N -0.028 120.353 120.400 -0.031 0.000 2.057 301 K HA -0.026 4.294 4.320 -0.000 0.000 0.206 301 K C 1.021 177.606 176.600 -0.025 0.000 1.050 301 K CA 0.977 57.246 56.287 -0.030 0.000 0.935 301 K CB 0.212 32.692 32.500 -0.033 0.000 0.715 301 K HN 0.193 nan 8.250 nan 0.000 0.439 302 G N -0.276 108.512 108.800 -0.020 0.000 2.576 302 G HA2 0.237 4.197 3.960 -0.000 0.000 0.290 302 G HA3 0.237 4.197 3.960 -0.000 0.000 0.290 302 G C -1.727 173.168 174.900 -0.009 0.000 1.442 302 G CA -0.614 44.480 45.100 -0.011 0.000 0.792 302 G HN -0.042 nan 8.290 nan 0.000 0.491 303 S N -0.829 114.870 115.700 -0.002 0.000 2.525 303 S HA 0.795 5.265 4.470 -0.000 0.000 0.290 303 S C -0.394 174.203 174.600 -0.004 0.000 1.152 303 S CA -0.688 57.508 58.200 -0.006 0.000 1.072 303 S CB 0.635 63.834 63.200 -0.003 0.000 1.027 303 S HN 0.482 nan 8.310 nan 0.000 0.500 304 I N 3.412 123.965 120.570 -0.028 0.000 2.478 304 I HA 0.242 4.412 4.170 -0.000 0.000 0.287 304 I C -0.524 175.536 176.117 -0.095 0.000 1.042 304 I CA -0.494 60.773 61.300 -0.054 0.000 1.067 304 I CB 2.368 40.335 38.000 -0.054 0.000 1.233 304 I HN 0.518 nan 8.210 nan 0.000 0.431 305 T N 4.338 118.805 114.554 -0.146 0.000 2.762 305 T HA 0.262 4.612 4.350 -0.000 0.000 0.303 305 T C 0.145 174.672 174.700 -0.289 0.000 0.977 305 T CA -0.520 61.468 62.100 -0.186 0.000 0.961 305 T CB 0.432 69.187 68.868 -0.188 0.000 0.944 305 T HN 0.652 nan 8.240 nan 0.000 0.481 306 S N 2.317 117.867 115.700 -0.249 0.000 2.489 306 S HA 0.714 5.184 4.470 -0.000 0.000 0.291 306 S C -0.362 174.058 174.600 -0.299 0.000 1.151 306 S CA -0.794 57.231 58.200 -0.291 0.000 1.082 306 S CB 1.324 64.396 63.200 -0.212 0.000 1.019 306 S HN 0.362 nan 8.310 nan 0.000 0.492 307 V N 3.476 123.194 119.914 -0.327 0.000 2.409 307 V HA 0.422 4.542 4.120 -0.000 0.000 0.290 307 V C -0.712 175.304 176.094 -0.129 0.000 1.017 307 V CA -0.544 61.629 62.300 -0.212 0.000 0.841 307 V CB 1.122 32.898 31.823 -0.078 0.000 1.003 307 V HN 0.974 nan 8.190 nan 0.000 0.426 308 Q N 3.263 122.975 119.800 -0.147 0.000 2.330 308 Q HA 0.763 5.103 4.340 -0.000 0.000 0.269 308 Q C -0.220 175.694 176.000 -0.143 0.000 1.022 308 Q CA -0.605 55.109 55.803 -0.148 0.000 0.796 308 Q CB 2.717 31.341 28.738 -0.190 0.000 1.271 308 Q HN 0.840 nan 8.270 nan 0.000 0.450 309 A N 3.772 126.541 122.820 -0.085 0.000 2.401 309 A HA 0.511 4.831 4.320 -0.000 0.000 0.259 309 A C -0.313 177.203 177.584 -0.114 0.000 1.103 309 A CA -0.162 51.838 52.037 -0.061 0.000 0.789 309 A CB 0.064 19.080 19.000 0.027 0.000 1.035 309 A HN 0.756 nan 8.150 nan 0.000 0.491 310 I N 2.856 123.303 120.570 -0.204 0.000 2.448 310 I HA 0.162 4.332 4.170 -0.000 0.000 0.281 310 I C -0.701 175.353 176.117 -0.105 0.000 1.027 310 I CA -0.537 60.611 61.300 -0.252 0.000 1.111 310 I CB 1.160 38.678 38.000 -0.803 0.000 1.236 310 I HN 0.750 nan 8.210 nan 0.000 0.452 311 Y N 7.070 127.303 120.300 -0.112 0.000 2.480 311 Y HA 0.303 4.853 4.550 -0.000 0.000 0.338 311 Y C -0.291 175.392 175.900 -0.361 0.000 1.220 311 Y CA 0.103 58.053 58.100 -0.250 0.000 1.430 311 Y CB 0.883 39.128 38.460 -0.358 0.000 1.311 311 Y HN 0.272 nan 8.280 nan 0.000 0.575 312 V N 8.428 127.789 119.914 -0.922 0.000 2.325 312 V HA 0.297 4.417 4.120 -0.000 0.000 0.280 312 V C -2.350 173.199 176.094 -0.910 0.000 1.016 312 V CA -2.056 59.865 62.300 -0.632 0.000 0.818 312 V CB 1.038 32.715 31.823 -0.245 0.000 1.019 312 V HN 0.699 nan 8.190 nan 0.000 0.434 313 P HA 0.202 nan 4.420 nan 0.000 0.268 313 P C 0.685 177.878 177.300 -0.178 0.000 1.205 313 P CA 0.612 63.501 63.100 -0.353 0.000 0.771 313 P CB 0.845 32.540 31.700 -0.008 0.000 0.858 314 A N 3.265 126.028 122.820 -0.096 0.000 2.790 314 A HA -0.268 4.052 4.320 -0.000 0.000 0.277 314 A C 0.835 178.380 177.584 -0.064 0.000 1.435 314 A CA 1.317 53.329 52.037 -0.042 0.000 0.877 314 A CB -2.624 16.375 19.000 -0.002 0.000 1.007 314 A HN 0.611 nan 8.150 nan 0.000 0.613 315 D N -1.818 118.506 120.400 -0.127 0.000 2.983 315 D HA -0.176 4.464 4.640 -0.000 0.000 0.225 315 D C -0.273 175.992 176.300 -0.058 0.000 1.174 315 D CA 2.167 56.110 54.000 -0.095 0.000 0.831 315 D CB -1.071 39.698 40.800 -0.052 0.000 1.104 315 D HN 0.984 nan 8.370 nan 0.000 0.421 316 D N -0.032 120.336 120.400 -0.053 0.000 2.460 316 D HA 0.296 4.936 4.640 -0.000 0.000 0.232 316 D C 1.268 177.575 176.300 0.013 0.000 1.079 316 D CA -0.540 53.453 54.000 -0.012 0.000 0.864 316 D CB 0.419 41.221 40.800 0.005 0.000 1.048 316 D HN 0.015 nan 8.370 nan 0.000 0.523 317 L N 2.479 123.719 121.223 0.028 0.000 2.450 317 L HA -0.048 4.291 4.340 -0.000 0.000 0.224 317 L C 2.289 179.218 176.870 0.097 0.000 1.149 317 L CA 1.376 56.268 54.840 0.087 0.000 0.816 317 L CB -0.471 41.632 42.059 0.073 0.000 0.932 317 L HN 0.523 nan 8.230 nan 0.000 0.449 318 T N -4.607 109.978 114.554 0.051 0.000 3.113 318 T HA -0.077 4.273 4.350 -0.000 0.000 0.256 318 T C 0.826 175.574 174.700 0.081 0.000 1.131 318 T CA -0.329 61.801 62.100 0.051 0.000 1.074 318 T CB -0.360 68.523 68.868 0.024 0.000 0.944 318 T HN 0.231 nan 8.240 nan 0.000 0.516 319 D N 2.871 123.328 120.400 0.096 0.000 2.533 319 D HA 0.017 4.657 4.640 -0.000 0.000 0.236 319 D C -1.416 174.953 176.300 0.115 0.000 1.137 319 D CA -1.412 52.669 54.000 0.135 0.000 0.867 319 D CB 1.486 42.375 40.800 0.148 0.000 1.170 319 D HN 0.035 nan 8.370 nan 0.000 0.474 320 P HA -0.209 nan 4.420 nan 0.000 0.217 320 P C 0.868 178.098 177.300 -0.116 0.000 1.151 320 P CA 1.906 64.972 63.100 -0.057 0.000 0.849 320 P CB 0.106 31.704 31.700 -0.171 0.000 0.787 321 A N 0.180 122.914 122.820 -0.143 0.000 1.835 321 A HA -0.113 4.207 4.320 -0.000 0.000 0.215 321 A C -0.020 177.658 177.584 0.156 0.000 1.199 321 A CA 2.289 54.338 52.037 0.020 0.000 0.615 321 A CB -2.226 16.989 19.000 0.358 0.000 0.838 321 A HN 0.206 nan 8.150 nan 0.000 0.444 322 P HA -0.128 nan 4.420 nan 0.000 0.216 322 P C 1.573 179.078 177.300 0.341 0.000 1.150 322 P CA 2.082 65.351 63.100 0.281 0.000 0.837 322 P CB -0.242 31.640 31.700 0.303 0.000 0.786 323 A N -0.268 122.720 122.820 0.279 0.000 1.933 323 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 323 A C 2.138 179.889 177.584 0.278 0.000 1.175 323 A CA 2.209 54.429 52.037 0.306 0.000 0.628 323 A CB -1.863 17.235 19.000 0.162 0.000 0.814 323 A HN 0.230 nan 8.150 nan 0.000 0.444 324 T N -0.497 114.170 114.554 0.188 0.000 3.118 324 T HA 0.001 4.351 4.350 -0.000 0.000 0.260 324 T C 1.562 176.406 174.700 0.241 0.000 1.139 324 T CA 1.420 63.622 62.100 0.170 0.000 1.085 324 T CB -0.135 68.802 68.868 0.114 0.000 0.934 324 T HN 0.529 nan 8.240 nan 0.000 0.518 325 T N 1.312 116.016 114.554 0.249 0.000 3.035 325 T HA 0.149 4.499 4.350 -0.000 0.000 0.259 325 T C 1.420 176.262 174.700 0.236 0.000 1.078 325 T CA 0.221 62.461 62.100 0.233 0.000 1.132 325 T CB -0.337 68.576 68.868 0.075 0.000 0.900 325 T HN 0.285 nan 8.240 nan 0.000 0.480 326 F N 2.308 122.438 119.950 0.300 0.000 2.154 326 F HA -0.091 4.436 4.527 -0.000 0.000 0.301 326 F C 2.616 178.473 175.800 0.096 0.000 1.087 326 F CA 0.975 59.089 58.000 0.190 0.000 1.274 326 F CB -0.628 38.380 39.000 0.012 0.000 1.009 326 F HN 0.162 nan 8.300 nan 0.000 0.485 327 A N -1.500 121.423 122.820 0.172 0.000 2.121 327 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 327 A C 1.447 178.947 177.584 -0.141 0.000 1.154 327 A CA 1.164 53.183 52.037 -0.031 0.000 0.679 327 A CB -0.884 18.028 19.000 -0.148 0.000 0.795 327 A HN 0.475 nan 8.150 nan 0.000 0.458 328 H N -1.068 118.050 119.070 0.081 0.000 2.519 328 H HA 0.406 4.962 4.556 -0.000 0.000 0.289 328 H C -0.354 174.991 175.328 0.029 0.000 1.040 328 H CA 0.118 56.189 56.048 0.038 0.000 1.165 328 H CB -0.070 29.695 29.762 0.005 0.000 1.462 328 H HN 0.330 nan 8.280 nan 0.000 0.555 329 L N -0.135 121.170 121.223 0.137 0.000 2.323 329 L HA 0.260 4.600 4.340 -0.000 0.000 0.265 329 L C 0.628 177.553 176.870 0.092 0.000 1.012 329 L CA -0.633 54.270 54.840 0.106 0.000 0.820 329 L CB 2.134 44.275 42.059 0.136 0.000 1.334 329 L HN -0.097 nan 8.230 nan 0.000 0.427 330 D N 0.440 120.880 120.400 0.067 0.000 2.423 330 D HA 0.246 4.886 4.640 -0.000 0.000 0.212 330 D C 0.070 176.424 176.300 0.090 0.000 1.060 330 D CA 0.487 54.526 54.000 0.065 0.000 0.872 330 D CB 1.379 42.202 40.800 0.039 0.000 1.012 330 D HN 0.469 nan 8.370 nan 0.000 0.503 331 A N 0.932 123.811 122.820 0.099 0.000 2.437 331 A HA 0.534 4.854 4.320 -0.000 0.000 0.293 331 A C -0.425 177.268 177.584 0.182 0.000 1.038 331 A CA -0.632 51.499 52.037 0.156 0.000 0.708 331 A CB 1.288 20.418 19.000 0.216 0.000 1.251 331 A HN -0.041 nan 8.150 nan 0.000 0.409 332 T N -0.381 114.315 114.554 0.237 0.000 2.797 332 T HA 0.681 5.031 4.350 -0.000 0.000 0.279 332 T C -0.335 174.545 174.700 0.301 0.000 0.991 332 T CA -0.464 61.819 62.100 0.305 0.000 0.979 332 T CB 1.214 70.296 68.868 0.356 0.000 0.943 332 T HN 0.444 nan 8.240 nan 0.000 0.444 333 T N 3.522 118.277 114.554 0.336 0.000 2.874 333 T HA 0.451 4.801 4.350 -0.000 0.000 0.321 333 T C -0.066 174.812 174.700 0.296 0.000 1.075 333 T CA -0.533 61.747 62.100 0.300 0.000 0.966 333 T CB 0.614 69.683 68.868 0.335 0.000 1.001 333 T HN 0.629 nan 8.240 nan 0.000 0.476 334 V N 5.246 125.293 119.914 0.222 0.000 2.383 334 V HA 0.366 4.486 4.120 -0.000 0.000 0.275 334 V C -0.190 175.992 176.094 0.146 0.000 1.036 334 V CA -0.821 61.599 62.300 0.200 0.000 0.889 334 V CB 1.079 32.971 31.823 0.115 0.000 0.985 334 V HN 0.593 nan 8.190 nan 0.000 0.459 335 L N 4.450 125.765 121.223 0.153 0.000 2.325 335 L HA 0.622 4.962 4.340 -0.000 0.000 0.279 335 L C 0.270 177.180 176.870 0.066 0.000 1.054 335 L CA 0.617 55.520 54.840 0.105 0.000 0.804 335 L CB 1.796 43.926 42.059 0.120 0.000 1.200 335 L HN 0.741 nan 8.230 nan 0.000 0.436 336 S N 2.974 118.692 115.700 0.030 0.000 2.521 336 S HA 0.473 4.943 4.470 -0.000 0.000 0.295 336 S C 0.907 175.498 174.600 -0.014 0.000 1.098 336 S CA -0.663 57.541 58.200 0.006 0.000 0.999 336 S CB 1.334 64.531 63.200 -0.006 0.000 1.034 336 S HN 0.704 nan 8.310 nan 0.000 0.483 337 R N 2.702 123.195 120.500 -0.012 0.000 2.092 337 R HA -0.014 4.326 4.340 -0.000 0.000 0.231 337 R C 2.220 178.498 176.300 -0.036 0.000 1.119 337 R CA 1.622 57.712 56.100 -0.017 0.000 0.970 337 R CB -0.679 29.616 30.300 -0.008 0.000 0.864 337 R HN 0.811 nan 8.270 nan 0.000 0.440 338 A N 0.758 123.558 122.820 -0.034 0.000 1.940 338 A HA -0.161 4.159 4.320 -0.000 0.000 0.219 338 A C 2.036 179.587 177.584 -0.056 0.000 1.176 338 A CA 1.378 53.392 52.037 -0.039 0.000 0.631 338 A CB -0.394 18.587 19.000 -0.033 0.000 0.814 338 A HN 0.334 nan 8.150 nan 0.000 0.446 339 I N -0.789 119.741 120.570 -0.067 0.000 2.333 339 I HA -0.132 4.037 4.170 -0.000 0.000 0.246 339 I C 2.939 178.940 176.117 -0.193 0.000 1.106 339 I CA 0.788 62.029 61.300 -0.099 0.000 1.411 339 I CB -0.356 37.597 38.000 -0.078 0.000 1.082 339 I HN 0.310 nan 8.210 nan 0.000 0.420 340 A N 0.541 123.227 122.820 -0.224 0.000 1.908 340 A HA -0.298 4.022 4.320 -0.000 0.000 0.218 340 A C 2.274 179.691 177.584 -0.278 0.000 1.181 340 A CA 2.071 53.863 52.037 -0.408 0.000 0.627 340 A CB -0.774 18.119 19.000 -0.177 0.000 0.818 340 A HN 0.502 nan 8.150 nan 0.000 0.445 341 E N -0.265 119.862 120.200 -0.123 0.000 2.273 341 E HA -0.165 4.185 4.350 -0.000 0.000 0.198 341 E C 1.280 177.838 176.600 -0.070 0.000 1.002 341 E CA 0.973 57.336 56.400 -0.063 0.000 0.828 341 E CB -0.205 29.471 29.700 -0.040 0.000 0.747 341 E HN 0.690 nan 8.360 nan 0.000 0.491 342 L N -1.129 120.030 121.223 -0.107 0.000 2.592 342 L HA 0.259 4.599 4.340 -0.000 0.000 0.227 342 L C 1.462 178.274 176.870 -0.096 0.000 1.127 342 L CA 0.341 55.127 54.840 -0.090 0.000 0.884 342 L CB 0.312 42.324 42.059 -0.078 0.000 1.065 342 L HN 0.332 nan 8.230 nan 0.000 0.457 343 G N 0.528 109.259 108.800 -0.115 0.000 2.176 343 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.253 343 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.253 343 G C 0.272 175.164 174.900 -0.014 0.000 0.979 343 G CA -0.437 44.665 45.100 0.003 0.000 0.641 343 G HN 0.172 nan 8.290 nan 0.000 0.530 344 I N 1.344 121.788 120.570 -0.211 0.000 2.347 344 I HA 0.413 4.583 4.170 -0.000 0.000 0.294 344 I C -0.145 175.699 176.117 -0.456 0.000 1.090 344 I CA -0.397 60.815 61.300 -0.147 0.000 1.314 344 I CB -0.507 37.447 38.000 -0.076 0.000 1.423 344 I HN 0.044 nan 8.210 nan 0.000 0.503 345 Y N 7.331 127.594 120.300 -0.062 0.000 2.425 345 Y HA 0.438 4.988 4.550 -0.000 0.000 0.344 345 Y C -2.086 173.635 175.900 -0.297 0.000 0.969 345 Y CA -2.799 55.186 58.100 -0.192 0.000 1.052 345 Y CB 1.850 40.161 38.460 -0.248 0.000 1.215 345 Y HN 0.405 nan 8.280 nan 0.000 0.451 346 P HA 0.115 nan 4.420 nan 0.000 0.271 346 P C -0.414 176.877 177.300 -0.015 0.000 1.216 346 P CA -0.198 62.855 63.100 -0.079 0.000 0.776 346 P CB 1.055 32.713 31.700 -0.070 0.000 0.881 347 A N 3.777 126.600 122.820 0.004 0.000 2.810 347 A HA 0.187 4.507 4.320 -0.000 0.000 0.247 347 A C 0.525 178.108 177.584 -0.001 0.000 1.576 347 A CA -0.236 51.753 52.037 -0.081 0.000 1.294 347 A CB -1.293 17.633 19.000 -0.123 0.000 0.976 347 A HN 0.383 nan 8.150 nan 0.000 0.631 348 V N 1.142 121.070 119.914 0.024 0.000 2.555 348 V HA 0.053 4.173 4.120 -0.000 0.000 0.286 348 V C 0.345 176.456 176.094 0.029 0.000 1.044 348 V CA -0.388 61.943 62.300 0.052 0.000 1.026 348 V CB 1.190 33.054 31.823 0.069 0.000 0.981 348 V HN 0.611 nan 8.190 nan 0.000 0.480 349 D N 7.622 128.043 120.400 0.034 0.000 2.365 349 D HA 0.226 4.866 4.640 -0.000 0.000 0.237 349 D C -1.324 174.983 176.300 0.012 0.000 1.190 349 D CA -2.163 51.846 54.000 0.016 0.000 0.867 349 D CB 1.766 42.573 40.800 0.011 0.000 1.050 349 D HN 0.249 nan 8.370 nan 0.000 0.491 350 P HA -0.048 nan 4.420 nan 0.000 0.226 350 P C 0.963 178.251 177.300 -0.021 0.000 1.153 350 P CA 0.618 63.710 63.100 -0.014 0.000 0.777 350 P CB 0.336 32.023 31.700 -0.021 0.000 0.794 351 L N -0.948 120.265 121.223 -0.017 0.000 2.818 351 L HA 0.296 4.636 4.340 -0.000 0.000 0.243 351 L C 0.779 177.627 176.870 -0.036 0.000 1.185 351 L CA 0.311 55.134 54.840 -0.028 0.000 0.988 351 L CB -0.070 41.974 42.059 -0.025 0.000 1.292 351 L HN -0.157 nan 8.230 nan 0.000 0.519 352 D N -0.846 119.539 120.400 -0.026 0.000 2.672 352 D HA 0.111 4.751 4.640 -0.000 0.000 0.287 352 D C -0.333 175.964 176.300 -0.006 0.000 1.559 352 D CA 0.176 54.151 54.000 -0.041 0.000 0.796 352 D CB 0.780 41.547 40.800 -0.054 0.000 1.181 352 D HN -0.120 nan 8.370 nan 0.000 0.458 353 S N -0.257 115.453 115.700 0.018 0.000 2.482 353 S HA 0.778 5.248 4.470 -0.000 0.000 0.303 353 S C -0.202 174.431 174.600 0.055 0.000 1.091 353 S CA -0.574 57.666 58.200 0.067 0.000 1.057 353 S CB 1.915 65.165 63.200 0.083 0.000 1.031 353 S HN 0.298 nan 8.310 nan 0.000 0.485 354 T N -1.012 113.597 114.554 0.091 0.000 2.841 354 T HA 0.817 5.167 4.350 -0.000 0.000 0.296 354 T C -0.885 173.880 174.700 0.109 0.000 1.166 354 T CA -0.813 61.331 62.100 0.073 0.000 1.007 354 T CB 1.846 70.743 68.868 0.049 0.000 1.253 354 T HN 0.451 nan 8.240 nan 0.000 0.511 355 S N -0.761 114.990 115.700 0.085 0.000 2.572 355 S HA 0.405 4.875 4.470 -0.000 0.000 0.274 355 S C 0.687 175.328 174.600 0.069 0.000 1.150 355 S CA -0.780 57.477 58.200 0.094 0.000 0.944 355 S CB 1.872 65.125 63.200 0.089 0.000 1.071 355 S HN 0.946 nan 8.310 nan 0.000 0.479 356 R N 3.026 123.567 120.500 0.069 0.000 2.193 356 R HA 0.012 4.352 4.340 -0.000 0.000 0.229 356 R C 1.517 177.840 176.300 0.038 0.000 1.110 356 R CA 2.028 58.158 56.100 0.050 0.000 0.988 356 R CB -0.448 29.881 30.300 0.048 0.000 0.871 356 R HN 0.835 nan 8.270 nan 0.000 0.458 357 I N -2.541 118.052 120.570 0.039 0.000 3.793 357 I HA 0.174 4.344 4.170 -0.000 0.000 0.315 357 I C 0.360 176.480 176.117 0.005 0.000 1.275 357 I CA -0.230 61.083 61.300 0.021 0.000 1.214 357 I CB 0.238 38.254 38.000 0.025 0.000 1.018 357 I HN -0.052 nan 8.210 nan 0.000 0.439 358 M N 3.476 123.089 119.600 0.021 0.000 3.070 358 M HA 0.209 4.689 4.480 -0.000 0.000 0.275 358 M C -0.860 175.517 176.300 0.127 0.000 1.510 358 M CA 0.830 56.156 55.300 0.044 0.000 1.608 358 M CB -1.272 31.353 32.600 0.042 0.000 1.266 358 M HN 0.282 nan 8.290 nan 0.000 0.514 359 D N 4.283 124.710 120.400 0.045 0.000 2.990 359 D HA 0.358 4.998 4.640 -0.000 0.000 0.227 359 D C -2.195 174.011 176.300 -0.157 0.000 1.249 359 D CA -1.377 52.560 54.000 -0.106 0.000 0.891 359 D CB 2.605 43.358 40.800 -0.080 0.000 1.647 359 D HN 0.078 nan 8.370 nan 0.000 0.530 360 P HA -0.123 nan 4.420 nan 0.000 0.217 360 P C 0.803 178.042 177.300 -0.101 0.000 1.148 360 P CA 0.864 63.831 63.100 -0.223 0.000 0.828 360 P CB 0.473 31.957 31.700 -0.361 0.000 0.783 361 N N -0.766 117.865 118.700 -0.115 0.000 2.457 361 N HA 0.025 4.765 4.740 -0.000 0.000 0.180 361 N C 1.758 177.249 175.510 -0.030 0.000 1.050 361 N CA 0.718 53.731 53.050 -0.061 0.000 0.906 361 N CB -0.055 38.393 38.487 -0.064 0.000 0.968 361 N HN 0.309 nan 8.380 nan 0.000 0.445 362 I N -0.449 120.104 120.570 -0.028 0.000 3.300 362 I HA -0.054 4.116 4.170 -0.000 0.000 0.279 362 I C 1.707 177.834 176.117 0.017 0.000 1.172 362 I CA 0.349 61.646 61.300 -0.005 0.000 1.431 362 I CB 0.323 38.319 38.000 -0.008 0.000 1.240 362 I HN -0.123 nan 8.210 nan 0.000 0.453 363 V N -1.653 118.270 119.914 0.015 0.000 3.660 363 V HA 0.600 4.720 4.120 -0.000 0.000 0.276 363 V C 0.773 176.943 176.094 0.128 0.000 1.317 363 V CA 0.105 62.443 62.300 0.062 0.000 1.097 363 V CB -0.678 31.099 31.823 -0.076 0.000 0.863 363 V HN 0.421 nan 8.190 nan 0.000 0.438 364 G N 1.218 110.069 108.800 0.085 0.000 2.785 364 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.686 364 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.686 364 G C 0.357 175.339 174.900 0.136 0.000 1.155 364 G CA 0.203 45.362 45.100 0.098 0.000 0.760 364 G HN 1.297 nan 8.290 nan 0.000 0.624 365 S N -0.069 115.695 115.700 0.107 0.000 2.474 365 S HA -0.047 4.423 4.470 -0.000 0.000 0.235 365 S C 1.688 176.399 174.600 0.185 0.000 0.997 365 S CA 1.668 59.958 58.200 0.149 0.000 0.949 365 S CB 0.131 63.387 63.200 0.092 0.000 0.766 365 S HN 0.958 nan 8.310 nan 0.000 0.517 366 E N 1.035 121.328 120.200 0.155 0.000 2.046 366 E HA -0.220 4.130 4.350 -0.000 0.000 0.190 366 E C 2.012 178.727 176.600 0.192 0.000 0.982 366 E CA 0.992 57.477 56.400 0.142 0.000 0.800 366 E CB -0.410 29.353 29.700 0.104 0.000 0.756 366 E HN 0.847 nan 8.360 nan 0.000 0.449 367 H N -1.462 117.667 119.070 0.098 0.000 2.321 367 H HA -0.206 4.350 4.556 -0.000 0.000 0.300 367 H C 2.065 177.448 175.328 0.093 0.000 1.087 367 H CA 1.587 57.688 56.048 0.088 0.000 1.319 367 H CB -0.054 29.759 29.762 0.085 0.000 1.379 367 H HN 0.278 nan 8.280 nan 0.000 0.501 368 Y N 1.578 121.957 120.300 0.130 0.000 2.145 368 Y HA -0.242 4.308 4.550 -0.000 0.000 0.286 368 Y C 2.013 177.943 175.900 0.051 0.000 1.145 368 Y CA 1.965 60.084 58.100 0.032 0.000 1.148 368 Y CB -0.302 38.161 38.460 0.004 0.000 0.981 368 Y HN 0.303 nan 8.280 nan 0.000 0.507 369 D N -0.602 119.861 120.400 0.106 0.000 2.117 369 D HA -0.164 4.476 4.640 -0.000 0.000 0.197 369 D C 2.393 178.677 176.300 -0.026 0.000 0.987 369 D CA 1.662 55.672 54.000 0.018 0.000 0.829 369 D CB -0.431 40.432 40.800 0.106 0.000 0.961 369 D HN 0.324 nan 8.370 nan 0.000 0.460 370 V N 1.539 121.474 119.914 0.034 0.000 2.307 370 V HA -0.217 3.903 4.120 -0.000 0.000 0.245 370 V C 2.590 178.673 176.094 -0.019 0.000 1.045 370 V CA 1.737 64.063 62.300 0.043 0.000 1.024 370 V CB -0.970 30.912 31.823 0.098 0.000 0.651 370 V HN 0.165 nan 8.190 nan 0.000 0.449 371 A N 0.206 123.004 122.820 -0.038 0.000 1.873 371 A HA -0.303 4.017 4.320 -0.000 0.000 0.218 371 A C 2.457 179.937 177.584 -0.173 0.000 1.193 371 A CA 2.317 54.288 52.037 -0.111 0.000 0.629 371 A CB -0.679 18.257 19.000 -0.107 0.000 0.826 371 A HN 0.425 nan 8.150 nan 0.000 0.447 372 R N -0.540 119.797 120.500 -0.271 0.000 2.120 372 R HA -0.122 4.218 4.340 -0.000 0.000 0.234 372 R C 2.244 178.462 176.300 -0.136 0.000 1.123 372 R CA 1.543 57.478 56.100 -0.275 0.000 0.975 372 R CB -0.680 29.346 30.300 -0.458 0.000 0.866 372 R HN 0.509 nan 8.270 nan 0.000 0.446 373 G N -0.025 108.721 108.800 -0.090 0.000 2.402 373 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.216 373 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.216 373 G C 1.455 176.342 174.900 -0.022 0.000 1.162 373 G CA 0.614 45.695 45.100 -0.033 0.000 0.777 373 G HN 0.200 nan 8.290 nan 0.000 0.539 374 V N 0.563 120.456 119.914 -0.035 0.000 2.343 374 V HA -0.256 3.864 4.120 -0.000 0.000 0.247 374 V C 2.881 178.953 176.094 -0.037 0.000 1.051 374 V CA 2.214 64.495 62.300 -0.031 0.000 1.036 374 V CB -0.602 31.155 31.823 -0.110 0.000 0.654 374 V HN 0.412 nan 8.190 nan 0.000 0.451 375 Q N -0.383 119.379 119.800 -0.063 0.000 2.124 375 Q HA -0.235 4.105 4.340 -0.000 0.000 0.202 375 Q C 2.397 178.381 176.000 -0.026 0.000 0.977 375 Q CA 1.689 57.462 55.803 -0.051 0.000 0.850 375 Q CB -0.198 28.497 28.738 -0.072 0.000 0.901 375 Q HN 0.568 nan 8.270 nan 0.000 0.429 376 K N 0.829 121.213 120.400 -0.027 0.000 2.057 376 K HA -0.113 4.207 4.320 -0.000 0.000 0.206 376 K C 1.955 178.560 176.600 0.010 0.000 1.050 376 K CA 0.911 57.192 56.287 -0.010 0.000 0.935 376 K CB -0.087 32.406 32.500 -0.013 0.000 0.715 376 K HN 0.199 nan 8.250 nan 0.000 0.439 377 I N 1.011 121.589 120.570 0.014 0.000 2.493 377 I HA -0.228 3.941 4.170 -0.000 0.000 0.254 377 I C 1.668 177.821 176.117 0.059 0.000 1.160 377 I CA 0.803 62.120 61.300 0.028 0.000 1.445 377 I CB 0.180 38.189 38.000 0.015 0.000 1.086 377 I HN 0.231 nan 8.210 nan 0.000 0.433 378 L N -0.134 121.122 121.223 0.054 0.000 2.095 378 L HA -0.170 4.170 4.340 -0.000 0.000 0.204 378 L C 2.505 179.429 176.870 0.089 0.000 1.080 378 L CA 0.795 55.691 54.840 0.094 0.000 0.759 378 L CB -0.543 41.551 42.059 0.060 0.000 0.914 378 L HN 0.223 nan 8.230 nan 0.000 0.439 379 Q N 0.384 120.208 119.800 0.039 0.000 2.167 379 Q HA -0.209 4.131 4.340 -0.000 0.000 0.202 379 Q C 1.614 177.626 176.000 0.019 0.000 0.970 379 Q CA 1.709 57.520 55.803 0.014 0.000 0.855 379 Q CB -0.072 28.664 28.738 -0.004 0.000 0.911 379 Q HN 0.350 nan 8.270 nan 0.000 0.438 380 D N -1.091 119.334 120.400 0.042 0.000 2.117 380 D HA -0.149 4.491 4.640 -0.000 0.000 0.198 380 D C 1.470 177.821 176.300 0.084 0.000 0.982 380 D CA 1.096 55.124 54.000 0.047 0.000 0.828 380 D CB -0.391 40.438 40.800 0.048 0.000 0.967 380 D HN 0.358 nan 8.370 nan 0.000 0.464 381 Y N 1.853 122.144 120.300 -0.016 0.000 2.163 381 Y HA -0.152 4.398 4.550 -0.000 0.000 0.288 381 Y C 2.165 178.055 175.900 -0.017 0.000 1.136 381 Y CA 1.641 59.731 58.100 -0.016 0.000 1.147 381 Y CB -0.232 38.218 38.460 -0.016 0.000 0.987 381 Y HN -0.189 nan 8.280 nan 0.000 0.509 382 K N -0.373 119.939 120.400 -0.147 0.000 2.063 382 K HA -0.170 4.150 4.320 -0.000 0.000 0.208 382 K C 2.170 178.660 176.600 -0.185 0.000 1.048 382 K CA 1.869 58.015 56.287 -0.235 0.000 0.928 382 K CB -0.320 32.122 32.500 -0.097 0.000 0.713 382 K HN 0.305 nan 8.250 nan 0.000 0.442 383 S N 0.886 116.525 115.700 -0.101 0.000 2.447 383 S HA -0.050 4.420 4.470 -0.000 0.000 0.233 383 S C 1.681 176.231 174.600 -0.083 0.000 1.006 383 S CA 0.684 58.839 58.200 -0.075 0.000 0.957 383 S CB -0.034 63.142 63.200 -0.039 0.000 0.773 383 S HN 0.292 nan 8.310 nan 0.000 0.507 384 L N 0.885 122.048 121.223 -0.099 0.000 2.127 384 L HA -0.044 4.296 4.340 -0.000 0.000 0.203 384 L C 2.509 179.304 176.870 -0.125 0.000 1.080 384 L CA 0.756 55.551 54.840 -0.074 0.000 0.768 384 L CB -0.458 41.601 42.059 0.000 0.000 0.924 384 L HN 0.332 nan 8.230 nan 0.000 0.444 385 Q N 0.231 119.869 119.800 -0.270 0.000 2.045 385 Q HA -0.331 4.009 4.340 -0.000 0.000 0.215 385 Q C 1.635 177.549 176.000 -0.144 0.000 1.026 385 Q CA 2.495 58.122 55.803 -0.293 0.000 0.885 385 Q CB -0.269 28.212 28.738 -0.429 0.000 0.984 385 Q HN 0.518 nan 8.270 nan 0.000 0.414 386 D N -0.228 120.099 120.400 -0.122 0.000 2.218 386 D HA -0.129 4.511 4.640 -0.000 0.000 0.204 386 D C 1.829 178.097 176.300 -0.053 0.000 0.976 386 D CA 0.803 54.758 54.000 -0.077 0.000 0.853 386 D CB -0.144 40.614 40.800 -0.068 0.000 0.939 386 D HN 0.242 nan 8.370 nan 0.000 0.481 387 I N 1.706 122.246 120.570 -0.050 0.000 2.163 387 I HA -0.172 3.998 4.170 -0.000 0.000 0.240 387 I C 2.633 178.738 176.117 -0.020 0.000 1.081 387 I CA 0.778 62.060 61.300 -0.030 0.000 1.353 387 I CB -1.249 36.736 38.000 -0.025 0.000 1.054 387 I HN 0.101 nan 8.210 nan 0.000 0.407 388 I N -0.388 120.171 120.570 -0.017 0.000 2.676 388 I HA -0.039 4.131 4.170 -0.000 0.000 0.259 388 I C 2.400 178.515 176.117 -0.003 0.000 1.194 388 I CA 1.238 62.537 61.300 -0.001 0.000 1.473 388 I CB -0.745 37.266 38.000 0.019 0.000 1.096 388 I HN 0.027 nan 8.210 nan 0.000 0.443 389 A N 1.423 124.234 122.820 -0.016 0.000 2.172 389 A HA 0.071 4.391 4.320 -0.000 0.000 0.216 389 A C 2.212 179.790 177.584 -0.011 0.000 1.154 389 A CA 1.252 53.281 52.037 -0.014 0.000 0.701 389 A CB -0.477 18.507 19.000 -0.026 0.000 0.789 389 A HN 0.594 nan 8.150 nan 0.000 0.465 390 I N -1.831 118.732 120.570 -0.012 0.000 3.366 390 I HA 0.058 4.228 4.170 -0.000 0.000 0.267 390 I C 1.604 177.718 176.117 -0.006 0.000 1.149 390 I CA 0.376 61.670 61.300 -0.010 0.000 1.436 390 I CB 0.032 38.025 38.000 -0.013 0.000 1.379 390 I HN 0.136 nan 8.210 nan 0.000 0.460 391 L N 0.986 122.206 121.223 -0.005 0.000 2.591 391 L HA 0.294 4.634 4.340 -0.000 0.000 0.228 391 L C 0.953 177.824 176.870 0.001 0.000 1.133 391 L CA 0.168 55.007 54.840 -0.002 0.000 0.880 391 L CB -0.756 41.301 42.059 -0.002 0.000 1.033 391 L HN 0.445 nan 8.230 nan 0.000 0.450 392 G N 0.087 108.889 108.800 0.003 0.000 2.796 392 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.571 392 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.571 392 G C -0.003 174.904 174.900 0.012 0.000 1.370 392 G CA 0.057 45.161 45.100 0.007 0.000 0.856 392 G HN 0.029 nan 8.290 nan 0.000 0.538 393 M N -0.717 118.892 119.600 0.015 0.000 2.435 393 M HA 0.182 4.662 4.480 -0.000 0.000 0.265 393 M C 1.934 178.243 176.300 0.015 0.000 1.104 393 M CA 1.882 57.193 55.300 0.019 0.000 1.140 393 M CB -0.118 32.495 32.600 0.022 0.000 1.372 393 M HN 0.574 nan 8.290 nan 0.000 0.456 394 D N 0.508 120.914 120.400 0.011 0.000 2.239 394 D HA -0.186 4.454 4.640 -0.000 0.000 0.202 394 D C 1.517 177.821 176.300 0.008 0.000 0.993 394 D CA 1.066 55.071 54.000 0.009 0.000 0.874 394 D CB -0.109 40.695 40.800 0.007 0.000 0.922 394 D HN 0.365 nan 8.370 nan 0.000 0.464 395 E N -0.265 119.940 120.200 0.008 0.000 2.481 395 E HA 0.060 4.410 4.350 -0.000 0.000 0.195 395 E C 0.660 177.265 176.600 0.008 0.000 1.047 395 E CA 0.004 56.408 56.400 0.007 0.000 0.867 395 E CB 0.167 29.870 29.700 0.005 0.000 0.858 395 E HN 0.381 nan 8.360 nan 0.000 0.513 396 L N 1.192 122.422 121.223 0.011 0.000 2.439 396 L HA 0.099 4.439 4.340 -0.000 0.000 0.261 396 L C 1.069 177.945 176.870 0.011 0.000 1.153 396 L CA -0.415 54.433 54.840 0.013 0.000 0.808 396 L CB 0.815 42.885 42.059 0.019 0.000 1.126 396 L HN -0.053 nan 8.230 nan 0.000 0.460 397 S N 0.274 115.980 115.700 0.010 0.000 2.645 397 S HA 0.116 4.585 4.470 -0.000 0.000 0.266 397 S C 0.881 175.486 174.600 0.008 0.000 1.258 397 S CA -0.623 57.581 58.200 0.008 0.000 0.990 397 S CB 1.077 64.281 63.200 0.007 0.000 0.967 397 S HN 0.590 nan 8.310 nan 0.000 0.556 398 E N 0.952 121.155 120.200 0.006 0.000 2.209 398 E HA -0.118 4.232 4.350 -0.000 0.000 0.196 398 E C 1.735 178.338 176.600 0.004 0.000 0.993 398 E CA 1.215 57.618 56.400 0.005 0.000 0.819 398 E CB -0.218 29.485 29.700 0.005 0.000 0.745 398 E HN 0.704 nan 8.360 nan 0.000 0.477 399 E N 0.599 120.802 120.200 0.005 0.000 2.122 399 E HA -0.079 4.271 4.350 -0.000 0.000 0.190 399 E C 1.489 178.092 176.600 0.006 0.000 0.977 399 E CA 0.474 56.876 56.400 0.004 0.000 0.820 399 E CB -0.024 29.679 29.700 0.005 0.000 0.770 399 E HN 0.266 nan 8.360 nan 0.000 0.462 400 D N 1.462 121.868 120.400 0.010 0.000 2.178 400 D HA -0.162 4.478 4.640 -0.000 0.000 0.201 400 D C 1.827 178.138 176.300 0.019 0.000 0.980 400 D CA 1.094 55.104 54.000 0.016 0.000 0.842 400 D CB -0.131 40.680 40.800 0.018 0.000 0.948 400 D HN 0.323 nan 8.370 nan 0.000 0.472 401 K N 0.146 120.553 120.400 0.012 0.000 2.379 401 K HA 0.040 4.360 4.320 -0.000 0.000 0.194 401 K C 1.719 178.313 176.600 -0.010 0.000 1.031 401 K CA -0.044 56.248 56.287 0.009 0.000 1.037 401 K CB 0.017 32.523 32.500 0.010 0.000 0.824 401 K HN 0.018 nan 8.250 nan 0.000 0.516 402 L N 2.846 124.063 121.223 -0.010 0.000 2.240 402 L HA -0.034 4.306 4.340 -0.000 0.000 0.211 402 L C 2.342 179.191 176.870 -0.037 0.000 1.106 402 L CA 1.815 56.643 54.840 -0.020 0.000 0.793 402 L CB -0.343 41.710 42.059 -0.010 0.000 0.927 402 L HN 0.471 nan 8.230 nan 0.000 0.446 403 T N -5.456 109.083 114.554 -0.026 0.000 2.978 403 T HA -0.067 4.283 4.350 -0.000 0.000 0.262 403 T C 1.899 176.554 174.700 -0.075 0.000 1.063 403 T CA 1.087 63.166 62.100 -0.034 0.000 1.140 403 T CB -0.684 68.183 68.868 -0.002 0.000 0.886 403 T HN 0.026 nan 8.240 nan 0.000 0.470 404 V N 2.968 122.848 119.914 -0.057 0.000 2.332 404 V HA -0.178 3.942 4.120 -0.000 0.000 0.248 404 V C 3.215 179.156 176.094 -0.256 0.000 1.055 404 V CA 2.295 64.522 62.300 -0.123 0.000 1.038 404 V CB -0.858 30.970 31.823 0.008 0.000 0.651 404 V HN 0.814 nan 8.190 nan 0.000 0.450 405 S N -0.079 115.526 115.700 -0.158 0.000 2.406 405 S HA -0.143 4.327 4.470 -0.000 0.000 0.228 405 S C 2.018 176.492 174.600 -0.211 0.000 1.020 405 S CA 0.931 59.031 58.200 -0.167 0.000 0.965 405 S CB -0.359 62.783 63.200 -0.098 0.000 0.798 405 S HN 0.567 nan 8.310 nan 0.000 0.488 406 R N 1.345 121.735 120.500 -0.183 0.000 2.093 406 R HA 0.268 4.608 4.340 -0.000 0.000 0.224 406 R C 2.748 178.919 176.300 -0.214 0.000 1.101 406 R CA 0.964 56.946 56.100 -0.198 0.000 0.979 406 R CB -0.683 29.544 30.300 -0.121 0.000 0.877 406 R HN 0.518 nan 8.270 nan 0.000 0.441 407 A N 1.564 124.249 122.820 -0.226 0.000 1.883 407 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 407 A C 2.040 179.444 177.584 -0.301 0.000 1.186 407 A CA 1.455 53.345 52.037 -0.244 0.000 0.624 407 A CB -0.400 18.408 19.000 -0.320 0.000 0.822 407 A HN 0.231 nan 8.150 nan 0.000 0.444 408 R N -0.453 119.793 120.500 -0.423 0.000 2.115 408 R HA -0.078 4.262 4.340 -0.000 0.000 0.230 408 R C 2.145 178.324 176.300 -0.202 0.000 1.111 408 R CA 1.506 57.418 56.100 -0.314 0.000 0.976 408 R CB -0.230 29.886 30.300 -0.307 0.000 0.870 408 R HN 0.520 nan 8.270 nan 0.000 0.445 409 K N 0.582 120.803 120.400 -0.297 0.000 2.062 409 K HA -0.030 4.290 4.320 -0.000 0.000 0.205 409 K C 2.025 178.451 176.600 -0.291 0.000 1.051 409 K CA 1.078 57.074 56.287 -0.485 0.000 0.941 409 K CB -0.050 31.889 32.500 -0.935 0.000 0.719 409 K HN 0.082 nan 8.250 nan 0.000 0.440 410 I N 1.509 121.987 120.570 -0.153 0.000 2.226 410 I HA -0.333 3.837 4.170 -0.000 0.000 0.245 410 I C 2.834 179.091 176.117 0.233 0.000 1.100 410 I CA 1.298 62.673 61.300 0.125 0.000 1.374 410 I CB -0.213 37.871 38.000 0.140 0.000 1.057 410 I HN 0.299 nan 8.210 nan 0.000 0.413 411 Q N 1.218 121.077 119.800 0.098 0.000 2.135 411 Q HA -0.245 4.095 4.340 -0.000 0.000 0.204 411 Q C 2.267 178.362 176.000 0.158 0.000 0.981 411 Q CA 1.639 57.509 55.803 0.111 0.000 0.856 411 Q CB -0.025 28.747 28.738 0.057 0.000 0.902 411 Q HN 0.425 nan 8.270 nan 0.000 0.425 412 R N -0.855 119.744 120.500 0.165 0.000 2.115 412 R HA -0.052 4.288 4.340 -0.000 0.000 0.226 412 R C 1.864 178.364 176.300 0.334 0.000 1.100 412 R CA 1.012 57.273 56.100 0.267 0.000 0.980 412 R CB -0.140 30.327 30.300 0.278 0.000 0.875 412 R HN 0.248 nan 8.270 nan 0.000 0.445 413 F N 0.831 120.873 119.950 0.153 0.000 2.699 413 F HA 0.050 4.577 4.527 -0.000 0.000 0.298 413 F C 1.359 177.298 175.800 0.232 0.000 1.154 413 F CA 0.721 58.779 58.000 0.096 0.000 1.457 413 F CB 0.152 39.062 39.000 -0.149 0.000 1.106 413 F HN -0.077 nan 8.300 nan 0.000 0.585 414 L N -0.686 120.725 121.223 0.312 0.000 2.341 414 L HA 0.008 4.348 4.340 -0.000 0.000 0.214 414 L C 1.507 178.420 176.870 0.073 0.000 1.115 414 L CA 0.280 55.262 54.840 0.237 0.000 0.820 414 L CB -0.720 41.448 42.059 0.182 0.000 0.944 414 L HN 0.061 nan 8.230 nan 0.000 0.452 415 S N -0.244 115.487 115.700 0.052 0.000 2.600 415 S HA 0.308 4.778 4.470 -0.000 0.000 0.265 415 S C -0.289 174.252 174.600 -0.099 0.000 1.325 415 S CA -0.461 57.721 58.200 -0.029 0.000 1.002 415 S CB 1.685 64.868 63.200 -0.029 0.000 0.921 415 S HN 0.280 nan 8.310 nan 0.000 0.554 416 Q N 0.296 120.017 119.800 -0.131 0.000 2.378 416 Q HA 0.344 4.683 4.340 -0.000 0.000 0.262 416 Q C -3.136 172.818 176.000 -0.077 0.000 0.978 416 Q CA -1.791 53.967 55.803 -0.075 0.000 0.918 416 Q CB 2.213 30.996 28.738 0.076 0.000 1.415 416 Q HN 0.525 nan 8.270 nan 0.000 0.409 417 P HA 0.166 nan 4.420 nan 0.000 0.274 417 P C -0.948 176.495 177.300 0.239 0.000 1.291 417 P CA -0.012 63.098 63.100 0.018 0.000 0.815 417 P CB -0.037 31.673 31.700 0.017 0.000 0.897 418 F N 2.043 121.992 119.950 -0.001 0.000 2.399 418 F HA 0.205 4.732 4.527 -0.000 0.000 0.342 418 F C 2.164 177.973 175.800 0.016 0.000 1.106 418 F CA -0.742 57.268 58.000 0.016 0.000 1.196 418 F CB 0.595 39.616 39.000 0.035 0.000 1.163 418 F HN 0.408 nan 8.300 nan 0.000 0.547 419 Q N 1.668 121.547 119.800 0.132 0.000 2.061 419 Q HA -0.116 4.224 4.340 -0.000 0.000 0.204 419 Q C 1.804 177.839 176.000 0.058 0.000 0.984 419 Q CA 1.588 57.426 55.803 0.058 0.000 0.846 419 Q CB -0.039 28.697 28.738 -0.003 0.000 0.902 419 Q HN 0.562 nan 8.270 nan 0.000 0.421 420 V N 0.451 120.405 119.914 0.067 0.000 2.867 420 V HA -0.192 3.928 4.120 -0.000 0.000 0.260 420 V C 1.640 177.798 176.094 0.107 0.000 1.099 420 V CA 1.531 63.872 62.300 0.067 0.000 1.122 420 V CB -0.364 31.502 31.823 0.071 0.000 0.708 420 V HN 0.450 nan 8.190 nan 0.000 0.490 421 A N -1.232 121.698 122.820 0.183 0.000 2.345 421 A HA 0.119 4.439 4.320 -0.000 0.000 0.225 421 A C 1.790 179.406 177.584 0.053 0.000 1.243 421 A CA 0.080 52.249 52.037 0.219 0.000 0.875 421 A CB -0.219 18.957 19.000 0.293 0.000 0.929 421 A HN 0.546 nan 8.150 nan 0.000 0.502 422 E N 0.184 120.383 120.200 -0.002 0.000 2.114 422 E HA -0.237 4.113 4.350 -0.000 0.000 0.199 422 E C 1.821 178.356 176.600 -0.109 0.000 1.008 422 E CA 1.979 58.364 56.400 -0.024 0.000 0.810 422 E CB -0.496 29.189 29.700 -0.025 0.000 0.739 422 E HN 0.661 nan 8.360 nan 0.000 0.456 423 V N -1.537 118.199 119.914 -0.296 0.000 3.186 423 V HA -0.156 3.964 4.120 -0.000 0.000 0.270 423 V C 1.336 177.167 176.094 -0.437 0.000 1.149 423 V CA 1.352 63.405 62.300 -0.413 0.000 1.160 423 V CB -0.674 30.794 31.823 -0.592 0.000 0.758 423 V HN 0.095 nan 8.190 nan 0.000 0.516 424 F N 1.200 121.140 119.950 -0.017 0.000 2.619 424 F HA 0.175 4.702 4.527 -0.000 0.000 0.281 424 F C 2.576 178.363 175.800 -0.021 0.000 1.065 424 F CA 0.924 58.899 58.000 -0.042 0.000 1.304 424 F CB -0.900 38.030 39.000 -0.117 0.000 1.059 424 F HN 0.204 nan 8.300 nan 0.000 0.648 425 T N -2.980 111.674 114.554 0.166 0.000 3.035 425 T HA 0.294 4.644 4.350 -0.000 0.000 0.259 425 T C 1.899 176.761 174.700 0.270 0.000 1.078 425 T CA 0.809 62.984 62.100 0.125 0.000 1.132 425 T CB -0.419 68.453 68.868 0.007 0.000 0.900 425 T HN 0.477 nan 8.240 nan 0.000 0.480 426 G N 1.311 110.224 108.800 0.188 0.000 2.153 426 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.252 426 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.252 426 G C -0.228 174.768 174.900 0.159 0.000 0.994 426 G CA 0.381 45.570 45.100 0.148 0.000 0.698 426 G HN 0.809 nan 8.290 nan 0.000 0.521 427 H N -1.709 117.365 119.070 0.007 0.000 2.679 427 H HA 0.657 5.213 4.556 -0.000 0.000 0.367 427 H C -0.080 175.249 175.328 0.003 0.000 1.162 427 H CA -1.171 54.878 56.048 0.002 0.000 1.181 427 H CB 1.380 31.138 29.762 -0.006 0.000 1.693 427 H HN 0.122 nan 8.280 nan 0.000 0.538 428 L N 2.049 123.337 121.223 0.108 0.000 2.410 428 L HA 0.278 4.618 4.340 -0.000 0.000 0.273 428 L C 1.105 178.023 176.870 0.081 0.000 1.144 428 L CA 0.326 55.204 54.840 0.063 0.000 0.863 428 L CB 0.006 42.082 42.059 0.028 0.000 1.140 428 L HN 0.882 nan 8.230 nan 0.000 0.463 429 G N 4.393 113.235 108.800 0.070 0.000 2.647 429 G HA2 0.191 4.151 3.960 -0.000 0.000 0.234 429 G HA3 0.191 4.151 3.960 -0.000 0.000 0.234 429 G C -0.275 174.660 174.900 0.059 0.000 1.252 429 G CA -0.352 44.796 45.100 0.080 0.000 0.846 429 G HN 0.525 nan 8.290 nan 0.000 0.589 430 K N -0.215 120.225 120.400 0.067 0.000 2.498 430 K HA 0.459 4.779 4.320 -0.000 0.000 0.254 430 K C -1.604 175.010 176.600 0.024 0.000 0.933 430 K CA -0.909 55.403 56.287 0.040 0.000 0.806 430 K CB 2.511 35.033 32.500 0.038 0.000 1.301 430 K HN 0.312 nan 8.250 nan 0.000 0.432 431 L N 2.379 123.605 121.223 0.005 0.000 2.372 431 L HA 0.431 4.771 4.340 -0.000 0.000 0.274 431 L C -1.398 175.471 176.870 -0.002 0.000 0.988 431 L CA -0.694 54.141 54.840 -0.009 0.000 0.833 431 L CB 1.795 43.844 42.059 -0.018 0.000 1.236 431 L HN 0.307 nan 8.230 nan 0.000 0.410 432 V N 6.619 126.532 119.914 -0.003 0.000 2.370 432 V HA 0.533 4.653 4.120 -0.000 0.000 0.283 432 V C -2.033 174.067 176.094 0.009 0.000 1.023 432 V CA -1.674 60.629 62.300 0.004 0.000 0.857 432 V CB 1.251 33.069 31.823 -0.007 0.000 0.985 432 V HN 0.671 nan 8.190 nan 0.000 0.443 433 P HA 0.066 nan 4.420 nan 0.000 0.267 433 P C 0.751 178.060 177.300 0.015 0.000 1.200 433 P CA -0.300 62.809 63.100 0.015 0.000 0.772 433 P CB 0.756 32.467 31.700 0.018 0.000 0.855 434 L N 3.693 124.919 121.223 0.004 0.000 1.990 434 L HA -0.207 4.133 4.340 -0.000 0.000 0.213 434 L C 2.178 179.029 176.870 -0.032 0.000 1.072 434 L CA 2.057 56.884 54.840 -0.022 0.000 0.755 434 L CB -1.029 41.013 42.059 -0.028 0.000 0.889 434 L HN 0.327 nan 8.230 nan 0.000 0.432 435 K N -0.914 119.479 120.400 -0.012 0.000 2.103 435 K HA -0.198 4.122 4.320 -0.000 0.000 0.207 435 K C 1.967 178.587 176.600 0.034 0.000 1.048 435 K CA 1.604 57.891 56.287 0.001 0.000 0.930 435 K CB -0.039 32.469 32.500 0.014 0.000 0.716 435 K HN 0.411 nan 8.250 nan 0.000 0.444 436 E N -0.172 120.056 120.200 0.047 0.000 2.150 436 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 436 E C 1.998 178.675 176.600 0.129 0.000 0.985 436 E CA 1.178 57.625 56.400 0.078 0.000 0.814 436 E CB -0.226 29.514 29.700 0.066 0.000 0.752 436 E HN 0.338 nan 8.360 nan 0.000 0.466 437 T N 1.877 116.507 114.554 0.126 0.000 2.643 437 T HA -0.085 4.265 4.350 -0.000 0.000 0.264 437 T C 2.169 177.068 174.700 0.332 0.000 1.045 437 T CA 1.018 63.264 62.100 0.243 0.000 1.155 437 T CB -0.275 68.696 68.868 0.172 0.000 0.863 437 T HN 0.097 nan 8.240 nan 0.000 0.420 438 I N 1.006 121.663 120.570 0.145 0.000 2.118 438 I HA -0.256 3.914 4.170 -0.000 0.000 0.241 438 I C 2.640 178.863 176.117 0.176 0.000 1.070 438 I CA 1.536 62.909 61.300 0.121 0.000 1.327 438 I CB -0.431 37.551 38.000 -0.029 0.000 1.034 438 I HN 0.226 nan 8.210 nan 0.000 0.405 439 K N 1.140 121.619 120.400 0.132 0.000 2.001 439 K HA -0.214 4.106 4.320 -0.000 0.000 0.214 439 K C 2.165 178.850 176.600 0.141 0.000 1.050 439 K CA 2.053 58.411 56.287 0.120 0.000 0.934 439 K CB -0.611 31.945 32.500 0.094 0.000 0.718 439 K HN 0.395 nan 8.250 nan 0.000 0.443 440 G N 0.388 109.278 108.800 0.150 0.000 2.491 440 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.218 440 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.218 440 G C 1.320 176.203 174.900 -0.029 0.000 1.180 440 G CA 1.119 46.242 45.100 0.038 0.000 0.774 440 G HN 0.311 nan 8.290 nan 0.000 0.562 441 F N 0.753 120.835 119.950 0.219 0.000 2.216 441 F HA -0.019 4.508 4.527 -0.000 0.000 0.300 441 F C 2.885 178.741 175.800 0.094 0.000 1.085 441 F CA 1.562 59.662 58.000 0.167 0.000 1.326 441 F CB -0.370 38.736 39.000 0.177 0.000 1.027 441 F HN 0.212 nan 8.300 nan 0.000 0.497 442 Q N 0.270 120.218 119.800 0.247 0.000 2.050 442 Q HA -0.256 4.084 4.340 -0.000 0.000 0.202 442 Q C 2.158 178.227 176.000 0.115 0.000 0.980 442 Q CA 1.897 57.793 55.803 0.154 0.000 0.840 442 Q CB -0.148 28.666 28.738 0.126 0.000 0.898 442 Q HN 0.474 nan 8.270 nan 0.000 0.424 443 Q N -0.035 119.837 119.800 0.121 0.000 2.084 443 Q HA -0.161 4.179 4.340 -0.000 0.000 0.202 443 Q C 2.137 178.218 176.000 0.135 0.000 0.978 443 Q CA 1.604 57.478 55.803 0.119 0.000 0.844 443 Q CB -0.110 28.765 28.738 0.229 0.000 0.898 443 Q HN 0.498 nan 8.270 nan 0.000 0.426 444 I N 0.469 121.128 120.570 0.147 0.000 2.252 444 I HA -0.278 3.892 4.170 -0.000 0.000 0.245 444 I C 2.153 178.294 176.117 0.040 0.000 1.102 444 I CA 1.001 62.353 61.300 0.087 0.000 1.385 444 I CB -0.284 37.668 38.000 -0.079 0.000 1.064 444 I HN 0.192 nan 8.210 nan 0.000 0.414 445 L N 0.708 121.969 121.223 0.063 0.000 2.083 445 L HA -0.189 4.150 4.340 -0.000 0.000 0.209 445 L C 2.687 179.576 176.870 0.031 0.000 1.083 445 L CA 1.288 56.157 54.840 0.049 0.000 0.752 445 L CB -0.574 41.529 42.059 0.073 0.000 0.899 445 L HN 0.257 nan 8.230 nan 0.000 0.433 446 A N -0.870 121.970 122.820 0.033 0.000 2.167 446 A HA 0.191 4.511 4.320 -0.000 0.000 0.214 446 A C 1.828 179.410 177.584 -0.003 0.000 1.151 446 A CA 0.993 53.038 52.037 0.013 0.000 0.735 446 A CB -0.363 18.643 19.000 0.010 0.000 0.802 446 A HN 0.552 nan 8.150 nan 0.000 0.467 447 G N -0.880 107.920 108.800 -0.000 0.000 2.176 447 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.232 447 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.232 447 G C 0.370 175.255 174.900 -0.026 0.000 0.986 447 G CA 0.425 45.523 45.100 -0.004 0.000 0.643 447 G HN 0.549 nan 8.290 nan 0.000 0.522 448 E N -0.677 119.460 120.200 -0.106 0.000 2.527 448 E HA 0.094 4.444 4.350 -0.000 0.000 0.204 448 E C 0.498 176.764 176.600 -0.557 0.000 1.132 448 E CA 0.600 56.813 56.400 -0.312 0.000 0.905 448 E CB -0.139 29.294 29.700 -0.446 0.000 0.875 448 E HN 0.741 nan 8.360 nan 0.000 0.548 449 Y N -1.848 118.474 120.300 0.036 0.000 2.890 449 Y HA 0.083 4.633 4.550 -0.000 0.000 0.266 449 Y C 0.520 176.344 175.900 -0.127 0.000 1.090 449 Y CA -0.705 57.348 58.100 -0.078 0.000 1.258 449 Y CB 0.512 39.004 38.460 0.053 0.000 1.346 449 Y HN -0.045 nan 8.280 nan 0.000 0.578 450 D N 0.051 120.505 120.400 0.091 0.000 2.354 450 D HA -0.159 4.481 4.640 -0.000 0.000 0.216 450 D C 1.831 178.183 176.300 0.085 0.000 0.970 450 D CA 1.505 55.543 54.000 0.064 0.000 0.905 450 D CB -0.105 40.735 40.800 0.067 0.000 0.903 450 D HN 0.634 nan 8.370 nan 0.000 0.508 451 H N -1.170 117.956 119.070 0.094 0.000 2.592 451 H HA 0.180 4.736 4.556 -0.000 0.000 0.265 451 H C 0.803 176.195 175.328 0.106 0.000 0.955 451 H CA -0.203 55.891 56.048 0.076 0.000 1.175 451 H CB 0.043 29.833 29.762 0.048 0.000 1.433 451 H HN 0.061 nan 8.280 nan 0.000 0.537 452 L N 3.155 124.221 121.223 -0.261 0.000 2.418 452 L HA 0.310 4.650 4.340 -0.000 0.000 0.265 452 L C -2.082 174.851 176.870 0.105 0.000 1.143 452 L CA -2.040 52.761 54.840 -0.064 0.000 0.809 452 L CB 0.760 42.763 42.059 -0.094 0.000 1.124 452 L HN 0.039 nan 8.230 nan 0.000 0.456 453 P HA 0.150 nan 4.420 nan 0.000 0.278 453 P C 0.113 177.543 177.300 0.216 0.000 1.238 453 P CA -0.439 62.728 63.100 0.112 0.000 0.794 453 P CB 1.139 32.878 31.700 0.065 0.000 0.955 454 E N 0.840 121.141 120.200 0.168 0.000 2.068 454 E HA -0.279 4.071 4.350 -0.000 0.000 0.207 454 E C 1.774 178.548 176.600 0.290 0.000 1.032 454 E CA 1.571 58.087 56.400 0.193 0.000 0.839 454 E CB -0.147 29.585 29.700 0.053 0.000 0.758 454 E HN 0.460 nan 8.360 nan 0.000 0.457 455 Q N -0.652 119.247 119.800 0.165 0.000 2.376 455 Q HA -0.155 4.185 4.340 -0.000 0.000 0.211 455 Q C 1.905 178.009 176.000 0.173 0.000 0.986 455 Q CA 1.094 56.998 55.803 0.168 0.000 0.886 455 Q CB -0.228 28.570 28.738 0.101 0.000 0.927 455 Q HN 0.313 nan 8.270 nan 0.000 0.457 456 A N -0.451 122.422 122.820 0.089 0.000 1.969 456 A HA -0.108 4.212 4.320 -0.000 0.000 0.218 456 A C 1.525 178.971 177.584 -0.228 0.000 1.169 456 A CA 0.850 52.804 52.037 -0.138 0.000 0.635 456 A CB -0.523 18.269 19.000 -0.347 0.000 0.810 456 A HN 0.291 nan 8.150 nan 0.000 0.445 457 F N -2.366 117.604 119.950 0.034 0.000 2.710 457 F HA 0.160 4.687 4.527 -0.000 0.000 0.298 457 F C 0.821 176.739 175.800 0.197 0.000 1.137 457 F CA -0.223 57.832 58.000 0.091 0.000 1.444 457 F CB -0.361 38.658 39.000 0.032 0.000 1.111 457 F HN 0.282 nan 8.300 nan 0.000 0.580 458 Y N 1.477 121.893 120.300 0.192 0.000 2.377 458 Y HA 0.271 4.821 4.550 -0.000 0.000 0.330 458 Y C 0.695 176.640 175.900 0.075 0.000 1.108 458 Y CA -1.547 56.626 58.100 0.122 0.000 1.308 458 Y CB 0.258 38.772 38.460 0.090 0.000 1.216 458 Y HN 0.012 nan 8.280 nan 0.000 0.518 459 M N 6.134 125.353 119.600 -0.635 0.000 2.852 459 M HA -0.164 4.316 4.480 -0.000 0.000 0.176 459 M C -1.193 174.980 176.300 -0.211 0.000 1.160 459 M CA 1.156 56.106 55.300 -0.584 0.000 0.702 459 M CB -2.331 29.688 32.600 -0.969 0.000 1.193 459 M HN 0.535 nan 8.290 nan 0.000 0.775 460 V N -2.124 117.726 119.914 -0.108 0.000 3.165 460 V HA 1.082 5.202 4.120 -0.000 0.000 0.309 460 V C 0.520 176.579 176.094 -0.058 0.000 1.267 460 V CA -0.081 62.202 62.300 -0.029 0.000 1.067 460 V CB 1.684 33.521 31.823 0.023 0.000 1.082 460 V HN 0.459 nan 8.190 nan 0.000 0.451 461 G N 0.058 108.844 108.800 -0.022 0.000 2.722 461 G HA2 0.485 4.445 3.960 -0.000 0.000 0.201 461 G HA3 0.485 4.445 3.960 -0.000 0.000 0.201 461 G C -2.245 172.629 174.900 -0.043 0.000 1.926 461 G CA -0.137 44.937 45.100 -0.044 0.000 0.872 461 G HN 0.777 nan 8.290 nan 0.000 0.581 462 P HA 0.184 nan 4.420 nan 0.000 0.274 462 P C 0.567 177.993 177.300 0.211 0.000 1.246 462 P CA -0.564 62.609 63.100 0.122 0.000 0.795 462 P CB 1.592 33.332 31.700 0.067 0.000 1.006 463 I N 0.960 121.666 120.570 0.228 0.000 2.700 463 I HA -0.243 3.927 4.170 -0.000 0.000 0.261 463 I C 1.706 177.712 176.117 -0.184 0.000 1.219 463 I CA 1.643 62.873 61.300 -0.117 0.000 1.463 463 I CB -0.618 37.205 38.000 -0.294 0.000 1.092 463 I HN 0.287 nan 8.210 nan 0.000 0.452 464 E N 0.357 120.524 120.200 -0.056 0.000 2.106 464 E HA -0.204 4.146 4.350 -0.000 0.000 0.192 464 E C 2.014 178.564 176.600 -0.082 0.000 0.984 464 E CA 1.414 57.781 56.400 -0.055 0.000 0.806 464 E CB -0.283 29.411 29.700 -0.009 0.000 0.750 464 E HN 0.564 nan 8.360 nan 0.000 0.458 465 E N 0.558 120.723 120.200 -0.058 0.000 2.204 465 E HA -0.139 4.211 4.350 -0.000 0.000 0.194 465 E C 2.014 178.536 176.600 -0.130 0.000 0.989 465 E CA 0.761 57.124 56.400 -0.060 0.000 0.824 465 E CB -0.130 29.560 29.700 -0.016 0.000 0.756 465 E HN 0.289 nan 8.360 nan 0.000 0.477 466 A N 1.092 123.773 122.820 -0.232 0.000 1.873 466 A HA -0.133 4.187 4.320 -0.000 0.000 0.215 466 A C 2.522 179.834 177.584 -0.452 0.000 1.186 466 A CA 1.081 52.833 52.037 -0.474 0.000 0.616 466 A CB -0.660 17.794 19.000 -0.909 0.000 0.823 466 A HN 0.112 nan 8.150 nan 0.000 0.442 467 V N -0.098 119.597 119.914 -0.365 0.000 2.343 467 V HA -0.257 3.863 4.120 -0.000 0.000 0.247 467 V C 3.033 179.056 176.094 -0.119 0.000 1.051 467 V CA 2.038 64.215 62.300 -0.204 0.000 1.036 467 V CB -1.191 30.584 31.823 -0.080 0.000 0.654 467 V HN 0.616 nan 8.190 nan 0.000 0.451 468 A N -0.404 122.355 122.820 -0.101 0.000 1.930 468 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 468 A C 2.330 179.877 177.584 -0.061 0.000 1.175 468 A CA 1.951 53.952 52.037 -0.060 0.000 0.627 468 A CB -0.420 18.553 19.000 -0.043 0.000 0.815 468 A HN 0.533 nan 8.150 nan 0.000 0.443 469 K N -0.155 120.193 120.400 -0.086 0.000 2.057 469 K HA -0.045 4.275 4.320 -0.000 0.000 0.206 469 K C 2.117 178.680 176.600 -0.061 0.000 1.050 469 K CA 1.149 57.398 56.287 -0.063 0.000 0.935 469 K CB -0.335 32.127 32.500 -0.064 0.000 0.715 469 K HN 0.333 nan 8.250 nan 0.000 0.439 470 A N 1.582 124.340 122.820 -0.103 0.000 1.940 470 A HA -0.213 4.107 4.320 -0.000 0.000 0.219 470 A C 1.622 179.189 177.584 -0.030 0.000 1.176 470 A CA 2.091 54.084 52.037 -0.074 0.000 0.631 470 A CB -0.567 18.366 19.000 -0.112 0.000 0.814 470 A HN 0.409 nan 8.150 nan 0.000 0.446 471 D N -0.646 119.737 120.400 -0.029 0.000 2.117 471 D HA -0.125 4.515 4.640 -0.000 0.000 0.198 471 D C 1.872 178.167 176.300 -0.007 0.000 0.982 471 D CA 1.510 55.505 54.000 -0.009 0.000 0.828 471 D CB -0.278 40.518 40.800 -0.008 0.000 0.967 471 D HN 0.581 nan 8.370 nan 0.000 0.464 472 K N 0.350 120.742 120.400 -0.013 0.000 2.280 472 K HA -0.034 4.286 4.320 -0.000 0.000 0.202 472 K C 2.013 178.612 176.600 -0.001 0.000 1.047 472 K CA 0.494 56.776 56.287 -0.008 0.000 0.942 472 K CB 0.047 32.540 32.500 -0.012 0.000 0.739 472 K HN 0.107 nan 8.250 nan 0.000 0.457 473 L N -0.297 120.925 121.223 -0.001 0.000 2.249 473 L HA 0.038 4.378 4.340 -0.000 0.000 0.207 473 L C 2.423 179.300 176.870 0.011 0.000 1.090 473 L CA 0.562 55.407 54.840 0.008 0.000 0.802 473 L CB -0.375 41.690 42.059 0.010 0.000 0.947 473 L HN 0.204 nan 8.230 nan 0.000 0.453 474 A N -0.175 122.651 122.820 0.010 0.000 1.842 474 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 474 A C 0.995 178.586 177.584 0.012 0.000 1.206 474 A CA 1.598 53.644 52.037 0.014 0.000 0.630 474 A CB -0.046 18.964 19.000 0.016 0.000 0.839 474 A HN 0.366 nan 8.150 nan 0.000 0.447 475 E N 0.000 120.205 120.200 0.009 0.000 2.725 475 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 475 E CA 0.000 56.404 56.400 0.007 0.000 0.976 475 E CB 0.000 29.705 29.700 0.008 0.000 0.812 475 E HN 0.000 nan 8.360 nan 0.000 0.440