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 1e1r_1_D DATA FIRST_RESID 9 DATA SEQUENCE TTGRIVAVIG AVVDVQFDEG LPPILNALEV QGRETRLVLE VAQHLGESTV DATA SEQUENCE RTIAMDGTEG LVRGQKVLDS GAPIRIPVGP ETLGRIMNVI GEPIDERGPI DATA SEQUENCE KTKQFAAIHA EAPEFVEMSV EQEILVTGIK VVDLLAPYAK GGKIGLFGGA DATA SEQUENCE GVGKTVLIME LINNVAKAHG GYSVFAGVGE RTREGNDLYH EMIESGVINL DATA SEQUENCE KDATSKVALV YGQMNEPPGA RARVALTGLT VAEYFRDQEG QDVLLFIDNI DATA SEQUENCE FRFTQAGSEV SALLGRIPSA VGYQPTLATD MGTMQERITT TKKGSITSVQ DATA SEQUENCE AIYVPADDLT DPAPATTFAH LDATTVLSRA IAELGIYPAV DPLDSTSRIM DATA SEQUENCE DPNIVGSEHY DVARGVQKIL QDYKSLQDII AILGMDELSE EDKLTVSRAR DATA SEQUENCE KIQRFLSQPF QVAEVFTGHL GKLVPLKETI KGFQQILAGE YDHLPEQAFY DATA SEQUENCE MVGPIEEAVA KADKLAE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 9 T HA 0.000 nan 4.350 nan 0.000 0.228 9 T C 0.000 174.883 174.700 0.305 0.000 1.109 9 T CA 0.000 62.196 62.100 0.159 0.000 1.349 9 T CB 0.000 68.945 68.868 0.128 0.000 0.612 10 T N 1.518 116.227 114.554 0.258 0.000 2.823 10 T HA 0.821 5.171 4.350 -0.000 0.000 0.279 10 T C 0.401 174.975 174.700 -0.210 0.000 0.998 10 T CA -0.306 61.849 62.100 0.091 0.000 0.994 10 T CB 1.486 70.359 68.868 0.008 0.000 0.960 10 T HN 1.146 nan 8.240 nan 0.000 0.448 11 G N 1.710 110.068 108.800 -0.735 0.000 2.730 11 G HA2 0.760 4.720 3.960 -0.000 0.000 0.289 11 G HA3 0.760 4.720 3.960 -0.000 0.000 0.289 11 G C -1.426 173.125 174.900 -0.582 0.000 1.341 11 G CA -1.043 43.310 45.100 -1.245 0.000 0.932 11 G HN 0.627 nan 8.290 nan 0.000 0.481 12 R N -0.533 119.704 120.500 -0.438 0.000 2.686 12 R HA 0.477 4.817 4.340 -0.000 0.000 0.286 12 R C -0.651 175.540 176.300 -0.181 0.000 0.969 12 R CA -0.847 55.112 56.100 -0.235 0.000 0.898 12 R CB 2.554 32.760 30.300 -0.158 0.000 1.183 12 R HN 0.370 nan 8.270 nan 0.000 0.456 13 I N 2.685 123.185 120.570 -0.117 0.000 2.533 13 I HA -0.050 4.120 4.170 -0.000 0.000 0.284 13 I C 1.402 177.485 176.117 -0.057 0.000 1.109 13 I CA 0.029 61.285 61.300 -0.073 0.000 1.412 13 I CB 1.127 39.098 38.000 -0.048 0.000 1.396 13 I HN 0.584 nan 8.210 nan 0.000 0.543 14 V N 3.004 122.892 119.914 -0.043 0.000 3.645 14 V HA 0.620 4.740 4.120 -0.000 0.000 0.275 14 V C 0.503 176.586 176.094 -0.018 0.000 1.356 14 V CA 0.301 62.583 62.300 -0.031 0.000 1.051 14 V CB 0.166 31.972 31.823 -0.029 0.000 0.828 14 V HN 0.717 nan 8.190 nan 0.000 0.441 15 A N -0.181 122.632 122.820 -0.013 0.000 2.540 15 A HA 0.791 5.111 4.320 -0.000 0.000 0.297 15 A C -1.287 176.295 177.584 -0.004 0.000 1.056 15 A CA -0.353 51.680 52.037 -0.006 0.000 0.700 15 A CB 2.122 21.121 19.000 -0.002 0.000 1.280 15 A HN 0.571 nan 8.150 nan 0.000 0.398 16 V N 3.018 122.930 119.914 -0.003 0.000 2.447 16 V HA 0.504 4.624 4.120 -0.000 0.000 0.292 16 V C -0.725 175.369 176.094 -0.000 0.000 1.021 16 V CA -0.075 62.224 62.300 -0.001 0.000 0.850 16 V CB 1.220 33.041 31.823 -0.003 0.000 1.005 16 V HN 0.713 nan 8.190 nan 0.000 0.426 17 I N 4.540 125.111 120.570 0.001 0.000 2.493 17 I HA 0.604 4.774 4.170 -0.000 0.000 0.279 17 I C 1.002 177.119 176.117 0.001 0.000 1.045 17 I CA -0.101 61.200 61.300 0.001 0.000 1.106 17 I CB 1.362 39.362 38.000 0.001 0.000 1.216 17 I HN 0.842 nan 8.210 nan 0.000 0.459 18 G N 4.607 113.407 108.800 0.000 0.000 2.596 18 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.295 18 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.295 18 G C 0.924 175.825 174.900 0.002 0.000 1.240 18 G CA 0.454 45.554 45.100 0.000 0.000 0.985 18 G HN 0.822 nan 8.290 nan 0.000 0.555 19 A N -0.909 121.912 122.820 0.001 0.000 2.216 19 A HA 0.461 4.781 4.320 -0.000 0.000 0.214 19 A C 1.158 178.745 177.584 0.006 0.000 1.160 19 A CA 1.944 53.983 52.037 0.003 0.000 0.725 19 A CB -0.155 18.845 19.000 -0.000 0.000 0.784 19 A HN 1.469 nan 8.150 nan 0.000 0.472 20 V N 0.910 120.827 119.914 0.005 0.000 2.370 20 V HA 0.411 4.531 4.120 -0.000 0.000 0.279 20 V C -0.516 175.585 176.094 0.011 0.000 1.029 20 V CA -0.414 61.892 62.300 0.009 0.000 0.870 20 V CB 1.410 33.236 31.823 0.006 0.000 0.984 20 V HN 0.096 nan 8.190 nan 0.000 0.451 21 V N 3.711 123.636 119.914 0.018 0.000 2.604 21 V HA 0.516 4.636 4.120 -0.000 0.000 0.305 21 V C -0.900 175.209 176.094 0.026 0.000 1.043 21 V CA -0.826 61.484 62.300 0.017 0.000 0.888 21 V CB 2.261 34.095 31.823 0.018 0.000 0.995 21 V HN 0.781 nan 8.190 nan 0.000 0.429 22 D N 2.719 123.130 120.400 0.018 0.000 2.233 22 D HA 0.598 5.238 4.640 -0.000 0.000 0.240 22 D C -0.641 175.668 176.300 0.016 0.000 1.074 22 D CA -0.003 54.012 54.000 0.024 0.000 0.838 22 D CB 2.034 42.843 40.800 0.015 0.000 1.124 22 D HN 0.284 nan 8.370 nan 0.000 0.475 23 V N 2.571 122.512 119.914 0.045 0.000 2.487 23 V HA 0.343 4.463 4.120 -0.000 0.000 0.298 23 V C -0.127 175.991 176.094 0.039 0.000 1.028 23 V CA -0.906 61.402 62.300 0.013 0.000 0.860 23 V CB 1.785 33.647 31.823 0.066 0.000 0.991 23 V HN 0.384 nan 8.190 nan 0.000 0.427 24 Q N 2.962 122.709 119.800 -0.088 0.000 2.290 24 Q HA 0.604 4.944 4.340 -0.000 0.000 0.259 24 Q C -1.826 174.062 176.000 -0.187 0.000 0.941 24 Q CA -0.477 55.300 55.803 -0.044 0.000 0.912 24 Q CB 1.312 30.018 28.738 -0.054 0.000 1.244 24 Q HN 0.649 nan 8.270 nan 0.000 0.441 25 F N 2.643 122.561 119.950 -0.053 0.000 2.426 25 F HA 0.226 4.753 4.527 -0.000 0.000 0.348 25 F C 0.864 176.638 175.800 -0.042 0.000 1.124 25 F CA -0.637 57.335 58.000 -0.047 0.000 1.008 25 F CB 1.566 40.532 39.000 -0.058 0.000 1.139 25 F HN 0.655 nan 8.300 nan 0.000 0.452 26 D N 1.871 122.319 120.400 0.080 0.000 2.178 26 D HA -0.114 4.526 4.640 -0.000 0.000 0.201 26 D C 0.291 176.629 176.300 0.063 0.000 0.980 26 D CA 1.395 55.422 54.000 0.045 0.000 0.842 26 D CB 0.438 41.246 40.800 0.014 0.000 0.948 26 D HN 0.711 nan 8.370 nan 0.000 0.472 27 E N -1.753 118.508 120.200 0.101 0.000 2.388 27 E HA 0.421 4.771 4.350 -0.000 0.000 0.280 27 E C -0.472 176.177 176.600 0.081 0.000 1.019 27 E CA -0.996 55.446 56.400 0.069 0.000 0.806 27 E CB 1.651 31.378 29.700 0.044 0.000 1.246 27 E HN -0.057 nan 8.360 nan 0.000 0.443 28 G N 1.510 110.322 108.800 0.019 0.000 2.540 28 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.260 28 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.260 28 G C -0.815 173.995 174.900 -0.149 0.000 0.993 28 G CA -0.077 45.003 45.100 -0.034 0.000 1.327 28 G HN 0.348 nan 8.290 nan 0.000 0.485 29 L N 4.794 125.909 121.223 -0.180 0.000 2.315 29 L HA 0.501 4.841 4.340 -0.000 0.000 0.283 29 L C -1.136 175.523 176.870 -0.353 0.000 1.089 29 L CA -2.139 52.487 54.840 -0.356 0.000 0.833 29 L CB 0.567 42.446 42.059 -0.301 0.000 1.170 29 L HN 0.329 nan 8.230 nan 0.000 0.442 30 P HA 0.165 nan 4.420 nan 0.000 0.267 30 P C -2.680 174.611 177.300 -0.015 0.000 1.205 30 P CA -1.112 61.799 63.100 -0.315 0.000 0.765 30 P CB -0.017 31.414 31.700 -0.448 0.000 0.828 31 P HA 0.173 nan 4.420 nan 0.000 0.272 31 P C 0.501 177.790 177.300 -0.019 0.000 1.230 31 P CA -0.170 62.949 63.100 0.032 0.000 0.788 31 P CB 0.456 32.129 31.700 -0.045 0.000 0.949 32 I N 2.228 122.698 120.570 -0.167 0.000 2.775 32 I HA -0.115 4.055 4.170 -0.000 0.000 0.290 32 I C 1.415 177.450 176.117 -0.135 0.000 1.203 32 I CA 0.718 61.931 61.300 -0.146 0.000 1.433 32 I CB -0.350 37.518 38.000 -0.219 0.000 1.354 32 I HN 0.444 nan 8.210 nan 0.000 0.579 33 L N 1.919 123.060 121.223 -0.137 0.000 3.558 33 L HA -0.231 4.109 4.340 -0.000 0.000 0.422 33 L C 0.198 177.013 176.870 -0.091 0.000 0.740 33 L CA 0.087 54.804 54.840 -0.205 0.000 2.578 33 L CB -1.473 40.388 42.059 -0.331 0.000 1.116 33 L HN 0.670 nan 8.230 nan 0.000 0.626 34 N N 1.133 119.803 118.700 -0.049 0.000 2.453 34 N HA 0.493 5.233 4.740 -0.000 0.000 0.253 34 N C 0.259 175.778 175.510 0.015 0.000 1.252 34 N CA 0.863 53.904 53.050 -0.015 0.000 0.917 34 N CB 0.817 39.286 38.487 -0.031 0.000 1.117 34 N HN 0.298 nan 8.380 nan 0.000 0.442 35 A N 2.155 124.994 122.820 0.031 0.000 2.289 35 A HA 0.499 4.819 4.320 -0.000 0.000 0.298 35 A C -0.392 177.222 177.584 0.050 0.000 1.208 35 A CA -0.517 51.549 52.037 0.047 0.000 0.845 35 A CB -0.077 18.954 19.000 0.052 0.000 1.125 35 A HN 0.603 nan 8.150 nan 0.000 0.517 36 L N 2.438 123.702 121.223 0.069 0.000 2.317 36 L HA 0.450 4.790 4.340 -0.000 0.000 0.281 36 L C -0.162 176.753 176.870 0.075 0.000 1.024 36 L CA -0.658 54.241 54.840 0.097 0.000 0.810 36 L CB 1.599 43.750 42.059 0.153 0.000 1.240 36 L HN 0.614 nan 8.230 nan 0.000 0.427 37 E N 3.023 123.265 120.200 0.070 0.000 2.092 37 E HA 0.259 4.609 4.350 -0.000 0.000 0.271 37 E C -0.721 175.902 176.600 0.037 0.000 0.919 37 E CA -0.567 55.860 56.400 0.045 0.000 0.760 37 E CB 2.343 32.064 29.700 0.035 0.000 1.106 37 E HN 0.209 nan 8.360 nan 0.000 0.408 38 V N 4.219 124.149 119.914 0.028 0.000 2.572 38 V HA -0.038 4.082 4.120 -0.000 0.000 0.291 38 V C 0.671 176.769 176.094 0.006 0.000 1.039 38 V CA -0.150 62.158 62.300 0.013 0.000 1.055 38 V CB 0.715 32.545 31.823 0.011 0.000 0.969 38 V HN 0.480 nan 8.190 nan 0.000 0.482 39 Q N 2.502 122.300 119.800 -0.004 0.000 2.260 39 Q HA 0.480 4.820 4.340 -0.000 0.000 0.242 39 Q C 1.016 177.011 176.000 -0.007 0.000 0.932 39 Q CA 0.402 56.202 55.803 -0.005 0.000 0.891 39 Q CB 1.354 30.086 28.738 -0.010 0.000 1.222 39 Q HN 1.149 nan 8.270 nan 0.000 0.453 40 G N 1.771 110.568 108.800 -0.005 0.000 2.204 40 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.244 40 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.244 40 G C -0.200 174.699 174.900 -0.003 0.000 1.062 40 G CA -0.136 44.961 45.100 -0.006 0.000 0.798 40 G HN 0.378 nan 8.290 nan 0.000 0.496 41 R N -0.803 119.697 120.500 0.000 0.000 2.744 41 R HA 0.404 4.744 4.340 -0.000 0.000 0.279 41 R C 0.674 176.976 176.300 0.003 0.000 0.977 41 R CA -0.912 55.189 56.100 0.002 0.000 0.906 41 R CB 1.261 31.564 30.300 0.004 0.000 1.197 41 R HN 0.105 nan 8.270 nan 0.000 0.463 42 E N 0.782 120.984 120.200 0.003 0.000 2.047 42 E HA -0.077 4.273 4.350 -0.000 0.000 0.191 42 E C 0.701 177.305 176.600 0.006 0.000 0.987 42 E CA 1.549 57.951 56.400 0.004 0.000 0.799 42 E CB -0.009 29.693 29.700 0.004 0.000 0.752 42 E HN 0.670 nan 8.360 nan 0.000 0.449 43 T N -1.113 113.445 114.554 0.007 0.000 2.855 43 T HA 0.444 4.794 4.350 -0.000 0.000 0.281 43 T C 0.113 174.820 174.700 0.012 0.000 1.007 43 T CA -0.935 61.171 62.100 0.009 0.000 1.009 43 T CB 2.369 71.242 68.868 0.009 0.000 0.983 43 T HN -0.098 nan 8.240 nan 0.000 0.455 44 R N 1.391 121.900 120.500 0.014 0.000 2.488 44 R HA 0.143 4.483 4.340 -0.000 0.000 0.317 44 R C -0.866 175.445 176.300 0.019 0.000 0.941 44 R CA -0.293 55.818 56.100 0.017 0.000 1.076 44 R CB -0.253 30.060 30.300 0.020 0.000 0.917 44 R HN 0.581 nan 8.270 nan 0.000 0.407 45 L N 6.488 127.723 121.223 0.020 0.000 2.324 45 L HA 0.308 4.648 4.340 -0.000 0.000 0.274 45 L C -1.116 175.771 176.870 0.028 0.000 1.012 45 L CA -0.488 54.365 54.840 0.022 0.000 0.859 45 L CB 1.627 43.696 42.059 0.017 0.000 1.224 45 L HN 0.293 nan 8.230 nan 0.000 0.429 46 V N 5.880 125.814 119.914 0.033 0.000 2.607 46 V HA 0.390 4.510 4.120 -0.000 0.000 0.289 46 V C 0.188 176.309 176.094 0.045 0.000 1.053 46 V CA -0.483 61.842 62.300 0.041 0.000 0.996 46 V CB 1.515 33.364 31.823 0.045 0.000 0.995 46 V HN 0.559 nan 8.190 nan 0.000 0.476 47 L N 4.014 125.268 121.223 0.053 0.000 2.319 47 L HA 0.531 4.871 4.340 -0.000 0.000 0.281 47 L C 0.031 176.938 176.870 0.062 0.000 1.005 47 L CA -0.259 54.615 54.840 0.057 0.000 0.828 47 L CB 1.727 43.825 42.059 0.065 0.000 1.227 47 L HN 0.682 nan 8.230 nan 0.000 0.415 48 E N 2.752 122.986 120.200 0.058 0.000 2.200 48 E HA 0.311 4.661 4.350 -0.000 0.000 0.283 48 E C -0.877 175.747 176.600 0.040 0.000 1.015 48 E CA -0.750 55.683 56.400 0.054 0.000 0.819 48 E CB 1.701 31.446 29.700 0.074 0.000 1.081 48 E HN 0.307 nan 8.360 nan 0.000 0.397 49 V N 4.178 124.110 119.914 0.030 0.000 2.529 49 V HA 0.102 4.222 4.120 -0.000 0.000 0.292 49 V C 0.890 176.990 176.094 0.009 0.000 1.028 49 V CA 0.835 63.158 62.300 0.038 0.000 1.074 49 V CB 0.854 32.705 31.823 0.045 0.000 0.958 49 V HN 0.888 nan 8.190 nan 0.000 0.481 50 A N 4.158 126.992 122.820 0.024 0.000 2.070 50 A HA 0.350 4.670 4.320 -0.000 0.000 0.202 50 A C 0.614 178.196 177.584 -0.003 0.000 1.277 50 A CA 0.148 52.184 52.037 -0.003 0.000 0.872 50 A CB 0.406 19.408 19.000 0.004 0.000 0.933 50 A HN 0.802 nan 8.150 nan 0.000 0.475 51 Q N -0.856 118.971 119.800 0.045 0.000 2.391 51 Q HA 0.370 4.710 4.340 -0.000 0.000 0.279 51 Q C -1.657 174.460 176.000 0.196 0.000 1.028 51 Q CA -0.558 55.282 55.803 0.061 0.000 0.836 51 Q CB 1.506 30.269 28.738 0.042 0.000 1.414 51 Q HN 0.555 nan 8.270 nan 0.000 0.397 52 H N 2.219 121.283 119.070 -0.011 0.000 2.787 52 H HA 0.203 4.759 4.556 -0.000 0.000 0.275 52 H C 0.666 175.995 175.328 0.002 0.000 1.183 52 H CA -0.272 55.773 56.048 -0.006 0.000 1.290 52 H CB 0.778 30.530 29.762 -0.016 0.000 1.438 52 H HN 0.480 nan 8.280 nan 0.000 0.487 53 L N 2.622 123.905 121.223 0.100 0.000 2.275 53 L HA 0.012 4.352 4.340 -0.000 0.000 0.215 53 L C 1.232 178.128 176.870 0.043 0.000 1.119 53 L CA 0.837 55.711 54.840 0.057 0.000 0.790 53 L CB -0.125 41.957 42.059 0.039 0.000 0.919 53 L HN 0.848 nan 8.230 nan 0.000 0.443 54 G N -0.379 108.442 108.800 0.036 0.000 2.570 54 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.686 54 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.686 54 G C -0.137 174.766 174.900 0.006 0.000 1.257 54 G CA -0.488 44.625 45.100 0.021 0.000 0.846 54 G HN 0.292 nan 8.290 nan 0.000 0.627 55 E N -0.752 119.450 120.200 0.004 0.000 2.297 55 E HA -0.190 4.160 4.350 -0.000 0.000 0.228 55 E C 0.988 177.587 176.600 -0.001 0.000 1.213 55 E CA 0.963 57.364 56.400 0.001 0.000 0.712 55 E CB -1.586 28.116 29.700 0.004 0.000 1.202 55 E HN 1.993 nan 8.360 nan 0.000 0.376 56 S N -1.824 113.868 115.700 -0.013 0.000 3.521 56 S HA -0.211 4.259 4.470 -0.000 0.000 0.328 56 S C 0.128 174.738 174.600 0.016 0.000 1.165 56 S CA 1.550 59.744 58.200 -0.010 0.000 0.941 56 S CB -0.867 62.343 63.200 0.017 0.000 0.951 56 S HN 0.493 nan 8.310 nan 0.000 0.539 57 T N 1.413 115.964 114.554 -0.004 0.000 2.807 57 T HA 0.621 4.971 4.350 -0.000 0.000 0.279 57 T C 0.122 174.828 174.700 0.009 0.000 0.993 57 T CA -0.337 61.778 62.100 0.024 0.000 0.970 57 T CB 1.833 70.712 68.868 0.018 0.000 0.950 57 T HN 0.492 nan 8.240 nan 0.000 0.441 58 V N 1.483 121.429 119.914 0.053 0.000 2.715 58 V HA 0.772 4.892 4.120 -0.000 0.000 0.310 58 V C -0.317 175.830 176.094 0.088 0.000 1.054 58 V CA -1.394 60.944 62.300 0.063 0.000 0.928 58 V CB 1.742 33.597 31.823 0.054 0.000 1.007 58 V HN 0.844 nan 8.190 nan 0.000 0.437 59 R N 2.446 122.998 120.500 0.087 0.000 2.294 59 R HA 0.723 5.063 4.340 -0.000 0.000 0.319 59 R C -0.018 176.319 176.300 0.063 0.000 0.984 59 R CA 0.349 56.487 56.100 0.063 0.000 0.861 59 R CB 1.415 31.743 30.300 0.047 0.000 1.104 59 R HN 1.175 nan 8.270 nan 0.000 0.451 60 T N 1.915 116.501 114.554 0.054 0.000 2.926 60 T HA 0.580 4.930 4.350 -0.000 0.000 0.289 60 T C 0.111 174.832 174.700 0.035 0.000 1.054 60 T CA -1.024 61.106 62.100 0.051 0.000 1.015 60 T CB 1.119 70.027 68.868 0.066 0.000 1.167 60 T HN 0.586 nan 8.240 nan 0.000 0.526 61 I N -0.475 120.115 120.570 0.033 0.000 2.433 61 I HA 0.827 4.997 4.170 -0.000 0.000 0.292 61 I C 0.085 176.220 176.117 0.031 0.000 1.001 61 I CA -1.520 59.795 61.300 0.025 0.000 1.119 61 I CB 1.445 39.456 38.000 0.018 0.000 1.289 61 I HN 0.903 nan 8.210 nan 0.000 0.438 62 A N 6.547 129.382 122.820 0.025 0.000 2.351 62 A HA 0.484 4.804 4.320 -0.000 0.000 0.257 62 A C 0.740 178.340 177.584 0.027 0.000 1.087 62 A CA -0.484 51.569 52.037 0.026 0.000 0.798 62 A CB 0.605 19.617 19.000 0.019 0.000 1.033 62 A HN 0.876 nan 8.150 nan 0.000 0.488 63 M N 0.552 120.171 119.600 0.030 0.000 2.428 63 M HA 0.198 4.678 4.480 -0.000 0.000 0.239 63 M C -0.085 176.230 176.300 0.025 0.000 1.121 63 M CA 0.548 55.866 55.300 0.030 0.000 1.019 63 M CB -1.003 31.618 32.600 0.036 0.000 1.485 63 M HN 0.825 nan 8.290 nan 0.000 0.484 64 D N -1.201 119.211 120.400 0.021 0.000 2.768 64 D HA 0.438 5.078 4.640 -0.000 0.000 0.327 64 D C -0.506 175.802 176.300 0.014 0.000 1.302 64 D CA -0.217 53.794 54.000 0.017 0.000 0.897 64 D CB 0.946 41.756 40.800 0.018 0.000 1.420 64 D HN 0.098 nan 8.370 nan 0.000 0.494 65 G N -0.824 107.983 108.800 0.012 0.000 2.391 65 G HA2 0.309 4.269 3.960 -0.000 0.000 0.234 65 G HA3 0.309 4.269 3.960 -0.000 0.000 0.234 65 G C 0.901 175.806 174.900 0.008 0.000 1.284 65 G CA 0.744 45.849 45.100 0.009 0.000 0.873 65 G HN 0.429 nan 8.290 nan 0.000 0.549 66 T N -1.347 113.211 114.554 0.007 0.000 3.069 66 T HA 0.153 4.503 4.350 -0.000 0.000 0.252 66 T C 0.538 175.240 174.700 0.003 0.000 1.053 66 T CA 0.062 62.165 62.100 0.005 0.000 0.964 66 T CB -0.036 68.835 68.868 0.005 0.000 1.005 66 T HN 0.615 nan 8.240 nan 0.000 0.532 67 E N 1.740 121.941 120.200 0.003 0.000 2.502 67 E HA 0.414 4.764 4.350 -0.000 0.000 0.261 67 E C 1.358 177.958 176.600 0.001 0.000 0.974 67 E CA 0.539 56.940 56.400 0.002 0.000 0.936 67 E CB -0.591 29.110 29.700 0.002 0.000 0.926 67 E HN 0.317 nan 8.360 nan 0.000 0.459 68 G N 1.865 110.665 108.800 -0.001 0.000 2.195 68 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.246 68 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.246 68 G C 0.088 174.986 174.900 -0.004 0.000 0.984 68 G CA 0.029 45.128 45.100 -0.002 0.000 0.633 68 G HN 0.432 nan 8.290 nan 0.000 0.525 69 L N 0.727 121.948 121.223 -0.004 0.000 2.439 69 L HA 0.562 4.902 4.340 -0.000 0.000 0.269 69 L C 0.565 177.430 176.870 -0.009 0.000 1.179 69 L CA -0.528 54.309 54.840 -0.006 0.000 0.828 69 L CB 1.274 43.330 42.059 -0.005 0.000 1.106 69 L HN -0.008 nan 8.230 nan 0.000 0.467 70 V N 2.245 122.151 119.914 -0.013 0.000 2.735 70 V HA 0.373 4.493 4.120 -0.000 0.000 0.310 70 V C -0.018 176.063 176.094 -0.021 0.000 1.061 70 V CA -0.952 61.339 62.300 -0.015 0.000 0.913 70 V CB 1.956 33.770 31.823 -0.015 0.000 1.005 70 V HN 0.656 nan 8.190 nan 0.000 0.428 71 R N 2.173 122.661 120.500 -0.021 0.000 2.484 71 R HA 0.423 4.763 4.340 -0.000 0.000 0.293 71 R C 1.282 177.563 176.300 -0.032 0.000 1.023 71 R CA 1.163 57.248 56.100 -0.026 0.000 1.037 71 R CB 0.136 30.422 30.300 -0.022 0.000 0.951 71 R HN 1.216 nan 8.270 nan 0.000 0.418 72 G N 1.828 110.601 108.800 -0.044 0.000 2.213 72 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.226 72 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.226 72 G C 0.192 175.058 174.900 -0.056 0.000 0.992 72 G CA -0.083 44.986 45.100 -0.051 0.000 0.632 72 G HN 0.595 nan 8.290 nan 0.000 0.511 73 Q N 1.370 121.141 119.800 -0.048 0.000 2.349 73 Q HA 0.366 4.706 4.340 -0.000 0.000 0.287 73 Q C 0.415 176.376 176.000 -0.065 0.000 1.044 73 Q CA 0.344 56.119 55.803 -0.046 0.000 0.918 73 Q CB 0.302 29.021 28.738 -0.033 0.000 1.242 73 Q HN 0.449 nan 8.270 nan 0.000 0.405 74 K N 1.800 122.164 120.400 -0.061 0.000 2.326 74 K HA 0.288 4.608 4.320 -0.000 0.000 0.275 74 K C -1.106 175.451 176.600 -0.070 0.000 1.018 74 K CA -0.318 55.923 56.287 -0.077 0.000 0.962 74 K CB 1.046 33.513 32.500 -0.055 0.000 0.953 74 K HN 0.341 nan 8.250 nan 0.000 0.475 75 V N 4.440 124.290 119.914 -0.106 0.000 2.686 75 V HA 0.322 4.442 4.120 -0.000 0.000 0.306 75 V C -0.439 175.656 176.094 0.001 0.000 1.065 75 V CA -0.920 61.349 62.300 -0.053 0.000 0.894 75 V CB 1.585 33.370 31.823 -0.063 0.000 1.004 75 V HN 0.608 nan 8.190 nan 0.000 0.424 76 L N 2.792 124.058 121.223 0.070 0.000 2.343 76 L HA 0.584 4.924 4.340 -0.000 0.000 0.275 76 L C -0.291 176.688 176.870 0.182 0.000 1.056 76 L CA -0.505 54.409 54.840 0.123 0.000 0.804 76 L CB 1.602 43.701 42.059 0.067 0.000 1.203 76 L HN 0.597 nan 8.230 nan 0.000 0.440 77 D N 0.165 120.684 120.400 0.198 0.000 2.280 77 D HA 0.099 4.739 4.640 -0.000 0.000 0.243 77 D C 0.894 177.222 176.300 0.046 0.000 1.129 77 D CA -0.249 53.811 54.000 0.101 0.000 0.848 77 D CB 1.601 42.409 40.800 0.013 0.000 1.107 77 D HN 0.509 nan 8.370 nan 0.000 0.471 78 S N 2.486 118.203 115.700 0.028 0.000 2.489 78 S HA 0.135 4.605 4.470 -0.000 0.000 0.228 78 S C 1.680 176.277 174.600 -0.005 0.000 0.995 78 S CA 0.520 58.726 58.200 0.010 0.000 0.934 78 S CB -0.105 63.101 63.200 0.010 0.000 0.771 78 S HN 0.889 nan 8.310 nan 0.000 0.522 79 G N 0.278 109.070 108.800 -0.012 0.000 2.157 79 G HA2 0.146 4.106 3.960 -0.000 0.000 0.248 79 G HA3 0.146 4.106 3.960 -0.000 0.000 0.248 79 G C 0.123 175.013 174.900 -0.016 0.000 0.979 79 G CA -0.182 44.906 45.100 -0.020 0.000 0.650 79 G HN 1.601 nan 8.290 nan 0.000 0.529 80 A N -0.999 121.817 122.820 -0.008 0.000 2.586 80 A HA 0.891 5.211 4.320 -0.000 0.000 0.290 80 A C -2.957 174.639 177.584 0.020 0.000 1.086 80 A CA -0.471 51.568 52.037 0.004 0.000 0.665 80 A CB 1.029 20.034 19.000 0.007 0.000 1.279 80 A HN 0.198 nan 8.150 nan 0.000 0.423 81 P HA 0.338 nan 4.420 nan 0.000 0.274 81 P C -0.236 177.122 177.300 0.097 0.000 1.260 81 P CA -0.174 62.977 63.100 0.084 0.000 0.793 81 P CB 0.169 31.960 31.700 0.151 0.000 1.048 82 I N 0.722 121.366 120.570 0.124 0.000 2.821 82 I HA -0.076 4.094 4.170 -0.000 0.000 0.294 82 I C 1.228 177.397 176.117 0.088 0.000 1.210 82 I CA 0.901 62.256 61.300 0.092 0.000 1.430 82 I CB -0.276 37.774 38.000 0.083 0.000 1.356 82 I HN 0.143 nan 8.210 nan 0.000 0.563 83 R N 7.065 127.624 120.500 0.098 0.000 2.445 83 R HA 0.674 5.014 4.340 -0.000 0.000 0.308 83 R C -0.573 175.862 176.300 0.225 0.000 0.961 83 R CA -0.696 55.492 56.100 0.146 0.000 0.862 83 R CB 1.852 32.235 30.300 0.139 0.000 1.144 83 R HN 0.586 nan 8.270 nan 0.000 0.447 84 I N -0.846 119.822 120.570 0.163 0.000 3.067 84 I HA 0.661 4.831 4.170 -0.000 0.000 0.312 84 I C -2.568 173.414 176.117 -0.225 0.000 1.073 84 I CA -3.429 57.907 61.300 0.059 0.000 1.016 84 I CB 2.119 40.095 38.000 -0.039 0.000 1.227 84 I HN 0.317 nan 8.210 nan 0.000 0.456 85 P HA 0.199 nan 4.420 nan 0.000 0.276 85 P C -0.649 176.294 177.300 -0.594 0.000 1.253 85 P CA -0.125 62.413 63.100 -0.936 0.000 0.766 85 P CB 0.867 32.165 31.700 -0.670 0.000 0.845 86 V N 0.845 120.365 119.914 -0.656 0.000 2.960 86 V HA 1.040 5.160 4.120 -0.000 0.000 0.315 86 V C 0.090 175.612 176.094 -0.954 0.000 1.087 86 V CA -0.422 61.441 62.300 -0.729 0.000 0.982 86 V CB 1.469 32.887 31.823 -0.675 0.000 1.039 86 V HN 0.908 nan 8.190 nan 0.000 0.437 87 G N 2.561 110.643 108.800 -1.197 0.000 2.347 87 G HA2 0.198 4.158 3.960 -0.000 0.000 0.477 87 G HA3 0.198 4.158 3.960 -0.000 0.000 0.477 87 G C -2.556 172.187 174.900 -0.262 0.000 1.349 87 G CA -0.008 44.586 45.100 -0.842 0.000 1.000 87 G HN 0.648 nan 8.290 nan 0.000 0.605 88 P HA -0.075 nan 4.420 nan 0.000 0.216 88 P C 1.408 178.713 177.300 0.008 0.000 1.150 88 P CA 1.876 65.066 63.100 0.149 0.000 0.837 88 P CB -0.060 31.731 31.700 0.153 0.000 0.786 89 E N 0.159 120.335 120.200 -0.041 0.000 2.533 89 E HA -0.100 4.250 4.350 -0.000 0.000 0.203 89 E C 1.097 177.654 176.600 -0.072 0.000 1.101 89 E CA 1.279 57.645 56.400 -0.057 0.000 0.894 89 E CB -1.445 28.215 29.700 -0.066 0.000 0.843 89 E HN 0.402 nan 8.360 nan 0.000 0.552 90 T N -1.730 112.784 114.554 -0.066 0.000 3.060 90 T HA 0.185 4.535 4.350 -0.000 0.000 0.249 90 T C 1.017 175.720 174.700 0.006 0.000 1.079 90 T CA -0.372 61.698 62.100 -0.049 0.000 1.013 90 T CB -0.201 68.618 68.868 -0.083 0.000 0.975 90 T HN 0.021 nan 8.240 nan 0.000 0.518 91 L N 1.956 123.173 121.223 -0.010 0.000 2.455 91 L HA 0.461 4.801 4.340 -0.000 0.000 0.272 91 L C 1.746 178.603 176.870 -0.022 0.000 1.174 91 L CA 0.889 55.694 54.840 -0.060 0.000 0.869 91 L CB 0.121 42.056 42.059 -0.207 0.000 1.130 91 L HN 0.517 nan 8.230 nan 0.000 0.474 92 G N 1.849 110.656 108.800 0.012 0.000 2.304 92 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.252 92 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.252 92 G C 0.527 175.475 174.900 0.079 0.000 1.014 92 G CA -0.353 44.776 45.100 0.048 0.000 0.619 92 G HN 0.462 nan 8.290 nan 0.000 0.525 93 R N 0.302 120.827 120.500 0.042 0.000 2.528 93 R HA 0.674 5.014 4.340 -0.000 0.000 0.271 93 R C 0.484 176.792 176.300 0.014 0.000 1.056 93 R CA -0.730 55.384 56.100 0.024 0.000 1.117 93 R CB 0.422 30.720 30.300 -0.005 0.000 1.085 93 R HN 0.381 nan 8.270 nan 0.000 0.530 94 I N 2.675 123.223 120.570 -0.036 0.000 2.339 94 I HA 0.333 4.503 4.170 -0.000 0.000 0.290 94 I C 0.375 176.485 176.117 -0.012 0.000 0.994 94 I CA -0.265 61.014 61.300 -0.036 0.000 1.191 94 I CB 1.210 39.093 38.000 -0.196 0.000 1.343 94 I HN 0.241 nan 8.210 nan 0.000 0.458 95 M N 4.239 123.855 119.600 0.027 0.000 2.762 95 M HA 0.386 4.866 4.480 -0.000 0.000 0.306 95 M C -0.028 176.294 176.300 0.037 0.000 1.223 95 M CA -0.700 54.605 55.300 0.010 0.000 0.896 95 M CB 1.756 34.347 32.600 -0.015 0.000 1.684 95 M HN 0.469 nan 8.290 nan 0.000 0.491 96 N N -0.599 118.114 118.700 0.022 0.000 2.413 96 N HA 0.264 5.004 4.740 -0.000 0.000 0.266 96 N C 0.722 176.242 175.510 0.016 0.000 1.238 96 N CA -0.298 52.768 53.050 0.027 0.000 0.972 96 N CB 1.164 39.663 38.487 0.019 0.000 1.210 96 N HN 0.450 nan 8.380 nan 0.000 0.547 97 V N 0.404 120.330 119.914 0.020 0.000 2.295 97 V HA -0.165 3.955 4.120 -0.000 0.000 0.246 97 V C 1.647 177.747 176.094 0.010 0.000 1.049 97 V CA 1.697 64.003 62.300 0.010 0.000 1.024 97 V CB -0.955 30.879 31.823 0.019 0.000 0.648 97 V HN 0.746 nan 8.190 nan 0.000 0.447 98 I N -0.927 119.656 120.570 0.023 0.000 3.826 98 I HA 0.627 4.797 4.170 -0.000 0.000 0.319 98 I C 1.415 177.556 176.117 0.040 0.000 1.394 98 I CA 0.490 61.811 61.300 0.035 0.000 1.197 98 I CB -0.640 37.384 38.000 0.041 0.000 1.096 98 I HN 0.335 nan 8.210 nan 0.000 0.409 99 G N 1.025 109.835 108.800 0.018 0.000 2.196 99 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.268 99 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.268 99 G C 0.059 174.964 174.900 0.010 0.000 0.975 99 G CA 0.456 45.557 45.100 0.003 0.000 0.648 99 G HN 0.702 nan 8.290 nan 0.000 0.538 100 E N 1.442 121.656 120.200 0.023 0.000 2.373 100 E HA 0.336 4.686 4.350 -0.000 0.000 0.267 100 E C -2.250 174.353 176.600 0.004 0.000 1.032 100 E CA -1.725 54.688 56.400 0.022 0.000 0.889 100 E CB 0.584 30.299 29.700 0.024 0.000 0.984 100 E HN 0.178 nan 8.360 nan 0.000 0.425 101 P HA -0.042 nan 4.420 nan 0.000 0.265 101 P C 0.061 177.351 177.300 -0.017 0.000 1.193 101 P CA 0.565 63.658 63.100 -0.013 0.000 0.765 101 P CB 0.207 31.902 31.700 -0.009 0.000 0.823 102 I N -0.619 119.928 120.570 -0.037 0.000 3.813 102 I HA 0.267 4.437 4.170 -0.000 0.000 0.323 102 I C -0.041 176.019 176.117 -0.095 0.000 1.536 102 I CA -0.240 61.030 61.300 -0.051 0.000 1.083 102 I CB 0.440 38.415 38.000 -0.043 0.000 1.265 102 I HN 0.062 nan 8.210 nan 0.000 0.507 103 D N 0.335 120.680 120.400 -0.092 0.000 2.398 103 D HA 0.003 4.643 4.640 -0.000 0.000 0.210 103 D C 0.430 176.715 176.300 -0.025 0.000 1.094 103 D CA 0.060 53.993 54.000 -0.111 0.000 0.839 103 D CB -0.012 40.710 40.800 -0.129 0.000 0.963 103 D HN 0.353 nan 8.370 nan 0.000 0.506 104 E N 0.074 120.266 120.200 -0.014 0.000 2.694 104 E HA -0.236 4.114 4.350 -0.000 0.000 0.272 104 E C -0.032 176.579 176.600 0.017 0.000 1.040 104 E CA 0.340 56.743 56.400 0.006 0.000 0.809 104 E CB -1.894 27.815 29.700 0.015 0.000 1.389 104 E HN 0.553 nan 8.360 nan 0.000 0.413 105 R N 0.014 120.523 120.500 0.015 0.000 2.652 105 R HA 0.351 4.691 4.340 -0.000 0.000 0.372 105 R C 0.996 177.304 176.300 0.014 0.000 1.104 105 R CA 0.301 56.414 56.100 0.022 0.000 1.072 105 R CB 1.124 31.444 30.300 0.032 0.000 1.367 105 R HN 0.340 nan 8.270 nan 0.000 0.577 106 G N 2.005 110.811 108.800 0.011 0.000 2.584 106 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.229 106 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.229 106 G C -2.532 172.373 174.900 0.010 0.000 1.320 106 G CA -1.120 43.987 45.100 0.011 0.000 0.891 106 G HN 0.098 nan 8.290 nan 0.000 0.573 107 P HA 0.502 nan 4.420 nan 0.000 0.272 107 P C 0.048 177.349 177.300 0.002 0.000 1.230 107 P CA -0.312 62.797 63.100 0.015 0.000 0.788 107 P CB 0.419 32.134 31.700 0.026 0.000 0.949 108 I N 1.513 122.079 120.570 -0.007 0.000 2.417 108 I HA 0.159 4.329 4.170 -0.000 0.000 0.283 108 I C 0.371 176.455 176.117 -0.056 0.000 1.121 108 I CA -0.372 60.900 61.300 -0.046 0.000 1.211 108 I CB -0.104 37.844 38.000 -0.086 0.000 1.492 108 I HN 0.101 nan 8.210 nan 0.000 0.522 109 K N 4.019 124.404 120.400 -0.025 0.000 2.086 109 K HA 0.042 4.362 4.320 -0.000 0.000 0.215 109 K C 0.575 177.153 176.600 -0.036 0.000 1.207 109 K CA -0.017 56.266 56.287 -0.006 0.000 1.206 109 K CB -0.600 31.905 32.500 0.008 0.000 1.253 109 K HN 0.534 nan 8.250 nan 0.000 0.234 110 T N -2.095 112.403 114.554 -0.094 0.000 2.902 110 T HA 0.229 4.579 4.350 -0.000 0.000 0.280 110 T C 0.864 175.545 174.700 -0.032 0.000 0.992 110 T CA -0.903 61.106 62.100 -0.153 0.000 1.015 110 T CB 1.718 70.357 68.868 -0.382 0.000 1.044 110 T HN 0.239 nan 8.240 nan 0.000 0.520 111 K N -0.016 120.367 120.400 -0.027 0.000 2.354 111 K HA 0.154 4.474 4.320 -0.000 0.000 0.194 111 K C -0.003 176.653 176.600 0.094 0.000 1.038 111 K CA 0.201 56.521 56.287 0.056 0.000 1.052 111 K CB 0.383 32.913 32.500 0.050 0.000 0.861 111 K HN 0.507 nan 8.250 nan 0.000 0.535 112 Q N -0.449 119.352 119.800 0.002 0.000 2.397 112 Q HA 0.463 4.803 4.340 -0.000 0.000 0.275 112 Q C -1.298 174.648 176.000 -0.090 0.000 1.090 112 Q CA -0.465 55.369 55.803 0.053 0.000 0.809 112 Q CB 1.698 30.466 28.738 0.050 0.000 1.362 112 Q HN -0.105 nan 8.270 nan 0.000 0.431 113 F N 0.424 120.341 119.950 -0.054 0.000 2.551 113 F HA 0.871 5.398 4.527 0.000 0.000 0.316 113 F C -0.353 175.429 175.800 -0.029 0.000 1.089 113 F CA -0.860 57.106 58.000 -0.058 0.000 0.915 113 F CB 2.059 41.038 39.000 -0.036 0.000 1.186 113 F HN 0.580 nan 8.300 nan 0.000 0.456 114 A N 1.504 124.385 122.820 0.102 0.000 2.414 114 A HA 0.857 5.177 4.320 -0.000 0.000 0.306 114 A C -0.945 176.679 177.584 0.067 0.000 1.054 114 A CA -0.729 51.352 52.037 0.073 0.000 0.724 114 A CB 1.027 20.044 19.000 0.028 0.000 1.267 114 A HN 1.000 nan 8.150 nan 0.000 0.418 115 A N 1.287 124.146 122.820 0.066 0.000 2.462 115 A HA 0.450 4.770 4.320 -0.000 0.000 0.243 115 A C 1.147 178.742 177.584 0.019 0.000 1.076 115 A CA 0.206 52.281 52.037 0.064 0.000 0.773 115 A CB -0.358 18.690 19.000 0.080 0.000 1.010 115 A HN 1.667 nan 8.150 nan 0.000 0.493 116 I N -0.596 119.964 120.570 -0.016 0.000 2.830 116 I HA 0.007 4.177 4.170 -0.000 0.000 0.263 116 I C 0.343 176.305 176.117 -0.259 0.000 1.230 116 I CA 0.568 61.779 61.300 -0.147 0.000 1.480 116 I CB -0.362 37.519 38.000 -0.198 0.000 1.095 116 I HN 0.518 nan 8.210 nan 0.000 0.455 117 H N 2.157 121.229 119.070 0.004 0.000 2.463 117 H HA 0.826 5.382 4.556 -0.000 0.000 0.332 117 H C -0.478 174.848 175.328 -0.002 0.000 1.127 117 H CA -0.167 55.881 56.048 0.001 0.000 1.238 117 H CB 1.795 31.561 29.762 0.006 0.000 1.478 117 H HN 0.390 nan 8.280 nan 0.000 0.499 118 A N 2.319 125.199 122.820 0.101 0.000 2.590 118 A HA 0.248 4.568 4.320 -0.000 0.000 0.294 118 A C -0.822 176.784 177.584 0.036 0.000 1.046 118 A CA -0.944 51.125 52.037 0.052 0.000 0.684 118 A CB 1.360 20.372 19.000 0.020 0.000 1.279 118 A HN 0.562 nan 8.150 nan 0.000 0.415 119 E N 0.603 120.819 120.200 0.027 0.000 2.390 119 E HA 0.471 4.821 4.350 -0.000 0.000 0.261 119 E C 0.525 177.132 176.600 0.013 0.000 1.076 119 E CA 0.335 56.747 56.400 0.021 0.000 0.905 119 E CB 1.231 30.942 29.700 0.018 0.000 0.984 119 E HN 0.916 nan 8.360 nan 0.000 0.427 120 A N 3.509 126.338 122.820 0.015 0.000 2.354 120 A HA 0.415 4.735 4.320 -0.000 0.000 0.269 120 A C -2.062 175.532 177.584 0.018 0.000 1.109 120 A CA -1.293 50.751 52.037 0.012 0.000 0.800 120 A CB -0.360 18.652 19.000 0.020 0.000 1.045 120 A HN 0.313 nan 8.150 nan 0.000 0.489 121 P HA 0.017 nan 4.420 nan 0.000 0.264 121 P C -0.075 177.247 177.300 0.036 0.000 1.179 121 P CA 0.300 63.408 63.100 0.013 0.000 0.763 121 P CB 0.372 32.072 31.700 0.000 0.000 0.806 122 E N 1.233 121.457 120.200 0.039 0.000 2.392 122 E HA 0.009 4.359 4.350 -0.000 0.000 0.256 122 E C 0.793 177.456 176.600 0.105 0.000 1.145 122 E CA -0.304 56.140 56.400 0.074 0.000 0.929 122 E CB 0.143 29.878 29.700 0.059 0.000 0.998 122 E HN 0.398 nan 8.360 nan 0.000 0.442 123 F N 1.889 121.839 119.950 -0.001 0.000 2.202 123 F HA -0.194 4.333 4.527 -0.000 0.000 0.301 123 F C 1.767 177.565 175.800 -0.003 0.000 1.082 123 F CA 1.403 59.403 58.000 -0.001 0.000 1.313 123 F CB -0.090 38.910 39.000 -0.001 0.000 1.024 123 F HN 0.247 nan 8.300 nan 0.000 0.495 124 V N -2.499 117.384 119.914 -0.052 0.000 3.510 124 V HA -0.038 4.082 4.120 -0.000 0.000 0.270 124 V C 1.320 177.328 176.094 -0.143 0.000 1.201 124 V CA 1.446 63.658 62.300 -0.147 0.000 1.166 124 V CB -0.909 30.893 31.823 -0.035 0.000 0.825 124 V HN 0.378 nan 8.190 nan 0.000 0.484 125 E N -0.039 120.094 120.200 -0.111 0.000 2.474 125 E HA 0.227 4.577 4.350 -0.000 0.000 0.195 125 E C 0.543 177.080 176.600 -0.104 0.000 1.039 125 E CA -0.329 56.021 56.400 -0.084 0.000 0.881 125 E CB 0.132 29.806 29.700 -0.042 0.000 0.970 125 E HN 0.450 nan 8.360 nan 0.000 0.486 126 M N 0.683 120.182 119.600 -0.169 0.000 2.226 126 M HA 0.131 4.611 4.480 -0.000 0.000 0.324 126 M C 0.479 176.697 176.300 -0.137 0.000 1.112 126 M CA 0.180 55.389 55.300 -0.153 0.000 1.176 126 M CB 0.938 33.407 32.600 -0.219 0.000 1.430 126 M HN -0.148 nan 8.290 nan 0.000 0.462 127 S N 0.376 116.022 115.700 -0.090 0.000 2.648 127 S HA 0.730 5.200 4.470 -0.000 0.000 0.305 127 S C 0.277 174.843 174.600 -0.057 0.000 1.094 127 S CA -0.706 57.452 58.200 -0.071 0.000 0.983 127 S CB 1.312 64.483 63.200 -0.048 0.000 1.101 127 S HN 0.563 nan 8.310 nan 0.000 0.514 128 V N -0.383 119.504 119.914 -0.045 0.000 3.432 128 V HA 0.499 4.619 4.120 -0.000 0.000 0.298 128 V C 0.092 176.176 176.094 -0.017 0.000 1.464 128 V CA -0.430 61.852 62.300 -0.030 0.000 1.046 128 V CB -0.211 31.593 31.823 -0.031 0.000 0.887 128 V HN 0.655 nan 8.190 nan 0.000 0.441 129 E N 2.584 122.774 120.200 -0.017 0.000 2.465 129 E HA 0.233 4.583 4.350 -0.000 0.000 0.260 129 E C -0.310 176.290 176.600 0.000 0.000 0.980 129 E CA 0.812 57.208 56.400 -0.008 0.000 0.927 129 E CB 0.485 30.180 29.700 -0.009 0.000 0.934 129 E HN 0.652 nan 8.360 nan 0.000 0.459 130 Q N 2.606 122.410 119.800 0.007 0.000 2.650 130 Q HA 0.247 4.587 4.340 -0.000 0.000 0.239 130 Q C -0.896 175.118 176.000 0.023 0.000 0.893 130 Q CA -0.171 55.642 55.803 0.016 0.000 0.755 130 Q CB 1.394 30.141 28.738 0.015 0.000 1.349 130 Q HN 0.397 nan 8.270 nan 0.000 0.461 131 E N 2.047 122.265 120.200 0.031 0.000 2.222 131 E HA 0.411 4.761 4.350 -0.000 0.000 0.267 131 E C -0.588 176.044 176.600 0.055 0.000 0.884 131 E CA -0.699 55.724 56.400 0.039 0.000 0.764 131 E CB 2.860 32.580 29.700 0.033 0.000 1.169 131 E HN 0.468 nan 8.360 nan 0.000 0.413 132 I N 2.876 123.484 120.570 0.064 0.000 2.892 132 I HA -0.037 4.133 4.170 -0.000 0.000 0.287 132 I C -0.800 175.366 176.117 0.082 0.000 1.205 132 I CA -0.022 61.327 61.300 0.082 0.000 1.409 132 I CB 0.466 38.524 38.000 0.096 0.000 1.367 132 I HN 0.378 nan 8.210 nan 0.000 0.597 133 L N 8.551 129.832 121.223 0.098 0.000 2.401 133 L HA 0.390 4.730 4.340 -0.000 0.000 0.263 133 L C -0.810 176.107 176.870 0.078 0.000 1.004 133 L CA -0.384 54.515 54.840 0.099 0.000 0.881 133 L CB 1.014 43.150 42.059 0.128 0.000 1.219 133 L HN 0.298 nan 8.230 nan 0.000 0.441 134 V N 3.857 123.804 119.914 0.055 0.000 2.655 134 V HA 0.202 4.322 4.120 -0.000 0.000 0.300 134 V C 1.475 177.579 176.094 0.017 0.000 1.044 134 V CA 0.942 63.258 62.300 0.026 0.000 1.095 134 V CB 0.989 32.830 31.823 0.030 0.000 0.952 134 V HN 0.929 nan 8.190 nan 0.000 0.485 135 T N -0.758 113.782 114.554 -0.024 0.000 2.958 135 T HA 0.332 4.682 4.350 -0.000 0.000 0.256 135 T C 1.277 175.961 174.700 -0.027 0.000 0.983 135 T CA 0.784 62.870 62.100 -0.023 0.000 0.924 135 T CB 0.689 69.501 68.868 -0.094 0.000 1.136 135 T HN 1.592 nan 8.240 nan 0.000 0.506 136 G N 2.018 110.806 108.800 -0.021 0.000 2.157 136 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.248 136 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.248 136 G C -0.003 174.904 174.900 0.011 0.000 0.979 136 G CA 0.070 45.168 45.100 -0.004 0.000 0.650 136 G HN 0.672 nan 8.290 nan 0.000 0.529 137 I N 0.870 121.441 120.570 0.001 0.000 2.315 137 I HA 0.226 4.396 4.170 -0.000 0.000 0.291 137 I C 1.569 177.703 176.117 0.029 0.000 1.006 137 I CA -0.626 60.714 61.300 0.067 0.000 1.265 137 I CB 1.213 39.269 38.000 0.094 0.000 1.387 137 I HN 0.008 nan 8.210 nan 0.000 0.475 138 K N 3.906 124.328 120.400 0.037 0.000 1.991 138 K HA -0.169 4.151 4.320 -0.000 0.000 0.212 138 K C 1.945 178.538 176.600 -0.012 0.000 1.049 138 K CA 1.840 58.142 56.287 0.024 0.000 0.932 138 K CB -0.246 32.258 32.500 0.007 0.000 0.717 138 K HN 0.720 nan 8.250 nan 0.000 0.441 139 V N -0.553 119.352 119.914 -0.014 0.000 2.252 139 V HA -0.255 3.865 4.120 -0.000 0.000 0.249 139 V C 2.224 178.287 176.094 -0.051 0.000 1.056 139 V CA 1.840 64.108 62.300 -0.053 0.000 1.022 139 V CB -1.111 30.709 31.823 -0.005 0.000 0.641 139 V HN 0.053 nan 8.190 nan 0.000 0.445 140 V N 1.469 121.359 119.914 -0.040 0.000 2.220 140 V HA -0.304 3.816 4.120 -0.000 0.000 0.246 140 V C 2.505 178.536 176.094 -0.104 0.000 1.049 140 V CA 2.779 65.013 62.300 -0.109 0.000 1.003 140 V CB -1.124 30.529 31.823 -0.284 0.000 0.634 140 V HN 0.551 nan 8.190 nan 0.000 0.444 141 D N -0.373 119.971 120.400 -0.093 0.000 2.149 141 D HA -0.185 4.455 4.640 -0.000 0.000 0.198 141 D C 1.826 178.188 176.300 0.104 0.000 0.990 141 D CA 1.369 55.356 54.000 -0.022 0.000 0.839 141 D CB -0.190 40.593 40.800 -0.030 0.000 0.948 141 D HN 0.326 nan 8.370 nan 0.000 0.460 142 L N -0.154 121.094 121.223 0.041 0.000 1.993 142 L HA 0.005 4.345 4.340 -0.000 0.000 0.206 142 L C 1.789 178.733 176.870 0.124 0.000 1.074 142 L CA 1.533 56.427 54.840 0.090 0.000 0.746 142 L CB -0.312 41.645 42.059 -0.170 0.000 0.896 142 L HN 0.059 nan 8.230 nan 0.000 0.435 143 L N -0.747 120.462 121.223 -0.023 0.000 2.249 143 L HA 0.209 4.549 4.340 -0.000 0.000 0.207 143 L C 0.849 177.713 176.870 -0.011 0.000 1.090 143 L CA 0.627 55.441 54.840 -0.045 0.000 0.802 143 L CB -0.357 41.654 42.059 -0.079 0.000 0.947 143 L HN 0.346 nan 8.230 nan 0.000 0.453 144 A N 0.102 122.933 122.820 0.019 0.000 3.422 144 A HA 0.431 4.751 4.320 -0.000 0.000 0.271 144 A C -2.638 174.998 177.584 0.087 0.000 1.104 144 A CA -0.868 51.208 52.037 0.064 0.000 0.899 144 A CB -0.169 18.893 19.000 0.102 0.000 1.309 144 A HN -0.149 nan 8.150 nan 0.000 0.580 145 P HA 0.148 nan 4.420 nan 0.000 0.268 145 P C -0.563 176.845 177.300 0.181 0.000 1.205 145 P CA 0.505 63.632 63.100 0.044 0.000 0.771 145 P CB 0.363 32.115 31.700 0.086 0.000 0.858 146 Y N 1.014 121.352 120.300 0.064 0.000 2.281 146 Y HA 0.458 5.008 4.550 0.000 0.000 0.337 146 Y C 1.094 177.018 175.900 0.040 0.000 1.304 146 Y CA -1.461 56.668 58.100 0.049 0.000 1.465 146 Y CB -0.177 38.310 38.460 0.045 0.000 1.350 146 Y HN 0.410 nan 8.280 nan 0.000 0.575 147 A N 1.304 124.245 122.820 0.201 0.000 2.393 147 A HA 0.523 4.843 4.320 -0.000 0.000 0.306 147 A C -0.699 176.925 177.584 0.067 0.000 1.050 147 A CA -1.199 50.902 52.037 0.107 0.000 0.724 147 A CB 0.828 19.871 19.000 0.071 0.000 1.248 147 A HN 0.695 nan 8.150 nan 0.000 0.424 148 K N 0.865 121.298 120.400 0.055 0.000 2.448 148 K HA 0.352 4.672 4.320 -0.000 0.000 0.278 148 K C 1.135 177.738 176.600 0.004 0.000 1.009 148 K CA 1.022 57.326 56.287 0.029 0.000 0.995 148 K CB 0.309 32.831 32.500 0.037 0.000 0.917 148 K HN 1.680 nan 8.250 nan 0.000 0.481 149 G N 1.730 110.515 108.800 -0.024 0.000 2.155 149 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.257 149 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.257 149 G C 0.464 175.338 174.900 -0.043 0.000 0.983 149 G CA 0.138 45.215 45.100 -0.038 0.000 0.676 149 G HN 0.884 nan 8.290 nan 0.000 0.528 150 G N -0.828 107.947 108.800 -0.042 0.000 2.522 150 G HA2 0.598 4.558 3.960 -0.000 0.000 0.304 150 G HA3 0.598 4.558 3.960 -0.000 0.000 0.304 150 G C -0.211 174.639 174.900 -0.083 0.000 1.210 150 G CA -0.741 44.334 45.100 -0.041 0.000 0.960 150 G HN 0.351 nan 8.290 nan 0.000 0.497 151 K N -0.005 120.355 120.400 -0.068 0.000 2.263 151 K HA 0.432 4.752 4.320 -0.000 0.000 0.272 151 K C -0.951 175.574 176.600 -0.124 0.000 1.033 151 K CA -0.222 56.008 56.287 -0.095 0.000 0.884 151 K CB 1.682 34.154 32.500 -0.048 0.000 1.107 151 K HN 0.218 nan 8.250 nan 0.000 0.460 152 I N 1.325 121.764 120.570 -0.219 0.000 2.441 152 I HA 0.396 4.566 4.170 -0.000 0.000 0.295 152 I C 0.376 176.348 176.117 -0.242 0.000 0.994 152 I CA -0.419 60.690 61.300 -0.319 0.000 1.144 152 I CB 2.172 39.765 38.000 -0.678 0.000 1.314 152 I HN 0.598 nan 8.210 nan 0.000 0.445 153 G N 5.988 114.689 108.800 -0.165 0.000 2.566 153 G HA2 0.710 4.670 3.960 -0.000 0.000 0.311 153 G HA3 0.710 4.670 3.960 -0.000 0.000 0.311 153 G C -1.101 173.705 174.900 -0.157 0.000 1.322 153 G CA -0.592 44.356 45.100 -0.253 0.000 0.969 153 G HN 0.464 nan 8.290 nan 0.000 0.490 154 L N 2.170 123.270 121.223 -0.206 0.000 2.297 154 L HA 0.438 4.778 4.340 -0.000 0.000 0.277 154 L C -0.754 176.053 176.870 -0.105 0.000 1.040 154 L CA -0.615 54.209 54.840 -0.026 0.000 0.867 154 L CB 0.460 42.545 42.059 0.042 0.000 1.244 154 L HN 0.294 nan 8.230 nan 0.000 0.433 155 F N 1.311 121.255 119.950 -0.010 0.000 2.375 155 F HA 0.760 5.287 4.527 -0.000 0.000 0.333 155 F C 1.078 176.880 175.800 0.002 0.000 1.104 155 F CA -0.203 57.772 58.000 -0.042 0.000 1.149 155 F CB 1.761 40.715 39.000 -0.078 0.000 1.190 155 F HN 0.461 nan 8.300 nan 0.000 0.533 156 G N 0.397 109.282 108.800 0.142 0.000 2.442 156 G HA2 0.471 4.431 3.960 -0.000 0.000 0.296 156 G HA3 0.471 4.431 3.960 -0.000 0.000 0.296 156 G C -0.832 174.062 174.900 -0.011 0.000 1.564 156 G CA -0.374 44.778 45.100 0.087 0.000 0.828 156 G HN 0.920 nan 8.290 nan 0.000 0.571 157 G N -0.557 108.220 108.800 -0.039 0.000 2.535 157 G HA2 0.693 4.653 3.960 -0.000 0.000 0.282 157 G HA3 0.693 4.653 3.960 -0.000 0.000 0.282 157 G C 0.741 175.675 174.900 0.057 0.000 1.350 157 G CA 0.384 45.413 45.100 -0.118 0.000 1.039 157 G HN 1.772 nan 8.290 nan 0.000 0.509 158 A N -1.132 121.766 122.820 0.130 0.000 2.522 158 A HA 0.514 4.834 4.320 -0.000 0.000 0.256 158 A C 1.435 179.095 177.584 0.125 0.000 1.086 158 A CA 0.941 53.119 52.037 0.235 0.000 0.763 158 A CB -0.731 18.411 19.000 0.238 0.000 1.024 158 A HN 2.538 nan 8.150 nan 0.000 0.502 159 G N 1.231 110.098 108.800 0.111 0.000 2.314 159 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.292 159 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.292 159 G C 0.532 175.477 174.900 0.074 0.000 1.059 159 G CA 0.835 45.975 45.100 0.067 0.000 0.982 159 G HN 2.162 nan 8.290 nan 0.000 0.505 160 V N -4.074 115.897 119.914 0.096 0.000 3.661 160 V HA 0.710 4.830 4.120 -0.000 0.000 0.271 160 V C 1.708 177.898 176.094 0.159 0.000 1.315 160 V CA 1.251 63.625 62.300 0.122 0.000 1.072 160 V CB 0.490 32.371 31.823 0.096 0.000 0.830 160 V HN 2.043 nan 8.190 nan 0.000 0.443 161 G N 0.214 109.086 108.800 0.120 0.000 2.559 161 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.202 161 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.202 161 G C 0.746 175.736 174.900 0.150 0.000 0.992 161 G CA 0.168 45.348 45.100 0.132 0.000 0.764 161 G HN 0.328 nan 8.290 nan 0.000 0.525 162 K N 0.216 120.696 120.400 0.134 0.000 2.015 162 K HA -0.130 4.190 4.320 -0.000 0.000 0.216 162 K C 2.409 179.090 176.600 0.135 0.000 1.052 162 K CA 2.073 58.439 56.287 0.131 0.000 0.937 162 K CB -0.405 32.161 32.500 0.110 0.000 0.719 162 K HN 0.276 nan 8.250 nan 0.000 0.446 163 T N 1.142 115.770 114.554 0.123 0.000 2.812 163 T HA -0.066 4.284 4.350 -0.000 0.000 0.264 163 T C 2.075 176.853 174.700 0.131 0.000 1.042 163 T CA 0.891 63.070 62.100 0.131 0.000 1.140 163 T CB -0.095 68.848 68.868 0.125 0.000 0.870 163 T HN -0.045 nan 8.240 nan 0.000 0.445 164 V N 1.772 121.767 119.914 0.135 0.000 2.287 164 V HA -0.133 3.987 4.120 -0.000 0.000 0.248 164 V C 2.406 178.610 176.094 0.184 0.000 1.053 164 V CA 1.407 63.813 62.300 0.176 0.000 1.027 164 V CB -0.635 31.296 31.823 0.180 0.000 0.646 164 V HN 0.347 nan 8.190 nan 0.000 0.447 165 L N -0.178 121.182 121.223 0.228 0.000 2.046 165 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 165 L C 2.128 179.046 176.870 0.079 0.000 1.077 165 L CA 1.852 56.813 54.840 0.202 0.000 0.747 165 L CB -0.605 41.622 42.059 0.280 0.000 0.896 165 L HN 0.262 nan 8.230 nan 0.000 0.432 166 I N -1.284 119.352 120.570 0.110 0.000 2.315 166 I HA -0.285 3.885 4.170 -0.000 0.000 0.248 166 I C 2.072 178.186 176.117 -0.006 0.000 1.117 166 I CA 0.953 62.314 61.300 0.102 0.000 1.404 166 I CB 0.049 38.145 38.000 0.160 0.000 1.071 166 I HN 0.306 nan 8.210 nan 0.000 0.419 167 M N -0.363 119.230 119.600 -0.011 0.000 2.254 167 M HA -0.175 4.305 4.480 -0.000 0.000 0.265 167 M C 2.066 178.293 176.300 -0.122 0.000 1.066 167 M CA 1.403 56.658 55.300 -0.075 0.000 1.123 167 M CB -1.193 31.396 32.600 -0.019 0.000 1.388 167 M HN 0.183 nan 8.290 nan 0.000 0.425 168 E N 0.816 120.924 120.200 -0.154 0.000 2.107 168 E HA -0.047 4.303 4.350 -0.000 0.000 0.191 168 E C 2.020 178.489 176.600 -0.219 0.000 0.982 168 E CA 0.901 57.123 56.400 -0.296 0.000 0.809 168 E CB -0.199 29.056 29.700 -0.742 0.000 0.756 168 E HN 0.453 nan 8.360 nan 0.000 0.459 169 L N 0.081 121.227 121.223 -0.127 0.000 2.056 169 L HA -0.113 4.227 4.340 -0.000 0.000 0.207 169 L C 2.416 179.273 176.870 -0.022 0.000 1.078 169 L CA 0.942 55.783 54.840 0.001 0.000 0.749 169 L CB -0.315 41.846 42.059 0.171 0.000 0.901 169 L HN 0.222 nan 8.230 nan 0.000 0.433 170 I N -0.045 120.406 120.570 -0.198 0.000 2.179 170 I HA -0.319 3.851 4.170 -0.000 0.000 0.242 170 I C 2.316 178.356 176.117 -0.128 0.000 1.088 170 I CA 1.609 62.716 61.300 -0.322 0.000 1.357 170 I CB -0.323 37.363 38.000 -0.524 0.000 1.051 170 I HN 0.372 nan 8.210 nan 0.000 0.409 171 N N 1.129 119.756 118.700 -0.122 0.000 2.104 171 N HA -0.218 4.522 4.740 -0.000 0.000 0.190 171 N C 1.530 177.012 175.510 -0.046 0.000 1.024 171 N CA 1.894 54.895 53.050 -0.081 0.000 0.853 171 N CB 0.013 38.444 38.487 -0.095 0.000 1.008 171 N HN 0.213 nan 8.380 nan 0.000 0.424 172 N N -1.111 117.561 118.700 -0.046 0.000 2.368 172 N HA 0.040 4.780 4.740 -0.000 0.000 0.176 172 N C 1.279 176.809 175.510 0.034 0.000 1.021 172 N CA 0.641 53.681 53.050 -0.016 0.000 0.888 172 N CB 0.152 38.616 38.487 -0.039 0.000 0.995 172 N HN 0.121 nan 8.380 nan 0.000 0.437 173 V N 0.165 120.122 119.914 0.070 0.000 2.788 173 V HA 0.250 4.370 4.120 -0.000 0.000 0.241 173 V C 2.075 178.268 176.094 0.166 0.000 1.083 173 V CA 1.123 63.498 62.300 0.126 0.000 1.103 173 V CB -0.391 31.534 31.823 0.170 0.000 0.800 173 V HN 0.193 nan 8.190 nan 0.000 0.476 174 A N 0.224 123.148 122.820 0.173 0.000 1.854 174 A HA -0.138 4.182 4.320 -0.000 0.000 0.214 174 A C 2.198 179.884 177.584 0.171 0.000 1.192 174 A CA 1.619 53.787 52.037 0.218 0.000 0.611 174 A CB -0.418 18.693 19.000 0.186 0.000 0.832 174 A HN 0.444 nan 8.150 nan 0.000 0.442 175 K N -0.226 120.224 120.400 0.084 0.000 2.127 175 K HA -0.181 4.139 4.320 -0.000 0.000 0.208 175 K C 2.043 178.685 176.600 0.070 0.000 1.047 175 K CA 1.413 57.734 56.287 0.058 0.000 0.927 175 K CB -0.301 32.210 32.500 0.017 0.000 0.716 175 K HN 0.463 nan 8.250 nan 0.000 0.450 176 A N 0.738 123.608 122.820 0.083 0.000 2.123 176 A HA -0.072 4.248 4.320 -0.000 0.000 0.214 176 A C 0.557 178.197 177.584 0.094 0.000 1.152 176 A CA 0.142 52.220 52.037 0.069 0.000 0.728 176 A CB -0.457 18.579 19.000 0.060 0.000 0.814 176 A HN 0.336 nan 8.150 nan 0.000 0.464 177 H N 0.773 119.872 119.070 0.047 0.000 3.157 177 H HA 0.266 4.822 4.556 -0.000 0.000 0.299 177 H C 0.880 176.221 175.328 0.023 0.000 0.961 177 H CA 0.149 56.224 56.048 0.045 0.000 1.428 177 H CB 0.352 30.158 29.762 0.074 0.000 1.459 177 H HN 0.094 nan 8.280 nan 0.000 0.566 178 G N 3.958 112.492 108.800 -0.443 0.000 3.161 178 G HA2 0.515 4.475 3.960 -0.000 0.000 0.293 178 G HA3 0.515 4.475 3.960 -0.000 0.000 0.293 178 G C 0.091 174.597 174.900 -0.656 0.000 0.893 178 G CA 0.295 45.164 45.100 -0.386 0.000 1.756 178 G HN 0.926 nan 8.290 nan 0.000 0.549 179 G N 0.241 108.655 108.800 -0.645 0.000 2.340 179 G HA2 0.381 4.341 3.960 -0.000 0.000 0.299 179 G HA3 0.381 4.341 3.960 -0.000 0.000 0.299 179 G C -1.576 173.335 174.900 0.018 0.000 1.291 179 G CA -0.912 43.910 45.100 -0.463 0.000 0.841 179 G HN 0.096 nan 8.290 nan 0.000 0.500 180 Y N 0.301 120.589 120.300 -0.021 0.000 2.301 180 Y HA 0.770 5.320 4.550 -0.000 0.000 0.328 180 Y C 0.952 176.846 175.900 -0.010 0.000 1.242 180 Y CA -1.169 56.836 58.100 -0.158 0.000 1.323 180 Y CB 1.658 39.730 38.460 -0.647 0.000 1.266 180 Y HN 0.387 nan 8.280 nan 0.000 0.527 181 S N 0.610 116.401 115.700 0.152 0.000 2.570 181 S HA 0.777 5.247 4.470 -0.000 0.000 0.286 181 S C -1.320 173.377 174.600 0.162 0.000 1.099 181 S CA -0.711 57.590 58.200 0.167 0.000 0.913 181 S CB 1.929 65.297 63.200 0.280 0.000 1.085 181 S HN 0.281 nan 8.310 nan 0.000 0.480 182 V N 2.965 122.994 119.914 0.193 0.000 2.638 182 V HA 0.556 4.676 4.120 -0.000 0.000 0.306 182 V C -1.396 174.843 176.094 0.241 0.000 1.052 182 V CA -0.648 61.770 62.300 0.198 0.000 0.885 182 V CB 1.586 33.504 31.823 0.158 0.000 0.999 182 V HN 0.832 nan 8.190 nan 0.000 0.424 183 F N 3.872 123.883 119.950 0.102 0.000 2.467 183 F HA 0.814 5.341 4.527 -0.000 0.000 0.336 183 F C 0.154 175.875 175.800 -0.133 0.000 1.123 183 F CA -0.561 57.473 58.000 0.057 0.000 0.964 183 F CB 1.550 40.580 39.000 0.050 0.000 1.136 183 F HN 0.558 nan 8.300 nan 0.000 0.447 184 A N 4.414 126.944 122.820 -0.485 0.000 2.285 184 A HA 0.638 4.958 4.320 -0.000 0.000 0.310 184 A C -0.127 177.128 177.584 -0.549 0.000 1.266 184 A CA -0.376 51.406 52.037 -0.425 0.000 0.832 184 A CB 0.285 19.101 19.000 -0.307 0.000 1.163 184 A HN 1.025 nan 8.150 nan 0.000 0.499 185 G N 1.413 109.856 108.800 -0.596 0.000 2.393 185 G HA2 0.493 4.453 3.960 -0.000 0.000 0.311 185 G HA3 0.493 4.453 3.960 -0.000 0.000 0.311 185 G C -0.554 174.281 174.900 -0.109 0.000 1.067 185 G CA -0.144 44.794 45.100 -0.270 0.000 1.000 185 G HN 0.704 nan 8.290 nan 0.000 0.422 186 V N 2.818 122.695 119.914 -0.062 0.000 2.313 186 V HA 0.575 4.695 4.120 -0.000 0.000 0.278 186 V C 1.147 177.262 176.094 0.036 0.000 1.017 186 V CA 0.279 62.569 62.300 -0.018 0.000 0.823 186 V CB 0.738 32.534 31.823 -0.044 0.000 1.010 186 V HN 1.304 nan 8.190 nan 0.000 0.443 187 G N 3.426 112.259 108.800 0.054 0.000 2.283 187 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.280 187 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.280 187 G C 0.172 175.110 174.900 0.062 0.000 1.029 187 G CA 0.449 45.582 45.100 0.054 0.000 0.840 187 G HN 0.588 nan 8.290 nan 0.000 0.505 188 E N -0.754 119.502 120.200 0.093 0.000 2.754 188 E HA 0.465 4.815 4.350 -0.000 0.000 0.224 188 E C 0.879 177.541 176.600 0.104 0.000 0.851 188 E CA -0.923 55.537 56.400 0.099 0.000 1.047 188 E CB 0.527 30.308 29.700 0.135 0.000 1.584 188 E HN 0.374 nan 8.360 nan 0.000 0.429 189 R N 0.347 120.911 120.500 0.106 0.000 2.298 189 R HA 0.220 4.560 4.340 -0.000 0.000 0.310 189 R C 1.099 177.449 176.300 0.084 0.000 1.068 189 R CA 0.060 56.209 56.100 0.082 0.000 0.957 189 R CB 0.416 30.759 30.300 0.071 0.000 1.003 189 R HN 0.399 nan 8.270 nan 0.000 0.454 190 T N 2.187 116.770 114.554 0.048 0.000 2.788 190 T HA -0.182 4.168 4.350 -0.000 0.000 0.268 190 T C 1.764 176.449 174.700 -0.024 0.000 1.044 190 T CA 1.217 63.316 62.100 -0.002 0.000 1.139 190 T CB -0.132 68.729 68.868 -0.011 0.000 0.867 190 T HN 0.563 nan 8.240 nan 0.000 0.454 191 R N 1.290 121.795 120.500 0.009 0.000 2.117 191 R HA -0.183 4.157 4.340 -0.000 0.000 0.243 191 R C 2.034 178.344 176.300 0.018 0.000 1.143 191 R CA 1.858 57.967 56.100 0.015 0.000 0.968 191 R CB -0.166 30.152 30.300 0.030 0.000 0.863 191 R HN 0.499 nan 8.270 nan 0.000 0.444 192 E N -1.085 119.137 120.200 0.036 0.000 2.208 192 E HA -0.064 4.286 4.350 -0.000 0.000 0.193 192 E C 1.864 178.467 176.600 0.004 0.000 0.988 192 E CA 0.848 57.278 56.400 0.050 0.000 0.828 192 E CB -0.063 29.699 29.700 0.103 0.000 0.763 192 E HN 0.608 nan 8.360 nan 0.000 0.478 193 G N 1.231 109.989 108.800 -0.070 0.000 2.402 193 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.216 193 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.216 193 G C 1.438 176.165 174.900 -0.289 0.000 1.162 193 G CA 0.962 45.828 45.100 -0.390 0.000 0.777 193 G HN 0.199 nan 8.290 nan 0.000 0.539 194 N N 0.383 119.002 118.700 -0.135 0.000 2.216 194 N HA -0.075 4.665 4.740 -0.000 0.000 0.183 194 N C 1.653 177.235 175.510 0.120 0.000 1.017 194 N CA 1.427 54.493 53.050 0.027 0.000 0.861 194 N CB -0.017 38.515 38.487 0.075 0.000 0.986 194 N HN 0.119 nan 8.380 nan 0.000 0.428 195 D N 0.238 120.669 120.400 0.051 0.000 2.084 195 D HA -0.146 4.494 4.640 -0.000 0.000 0.194 195 D C 1.904 178.212 176.300 0.013 0.000 0.990 195 D CA 0.657 54.686 54.000 0.048 0.000 0.826 195 D CB -0.611 40.203 40.800 0.024 0.000 0.971 195 D HN 0.230 nan 8.370 nan 0.000 0.453 196 L N 0.227 121.425 121.223 -0.042 0.000 2.012 196 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 196 L C 2.241 179.077 176.870 -0.057 0.000 1.073 196 L CA 1.600 56.377 54.840 -0.105 0.000 0.748 196 L CB -1.032 40.885 42.059 -0.237 0.000 0.891 196 L HN 0.029 nan 8.230 nan 0.000 0.431 197 Y N 0.358 120.529 120.300 -0.216 0.000 2.081 197 Y HA -0.335 4.215 4.550 -0.000 0.000 0.280 197 Y C 2.670 178.392 175.900 -0.298 0.000 1.163 197 Y CA 2.460 60.389 58.100 -0.283 0.000 1.135 197 Y CB -0.857 37.347 38.460 -0.428 0.000 0.970 197 Y HN 0.503 nan 8.280 nan 0.000 0.498 198 H N -0.895 118.086 119.070 -0.148 0.000 2.462 198 H HA -0.025 4.531 4.556 -0.000 0.000 0.292 198 H C 1.993 177.220 175.328 -0.167 0.000 1.049 198 H CA 1.268 57.170 56.048 -0.242 0.000 1.334 198 H CB 0.078 29.755 29.762 -0.141 0.000 1.404 198 H HN 0.457 nan 8.280 nan 0.000 0.544 199 E N 0.047 120.231 120.200 -0.027 0.000 2.274 199 E HA -0.095 4.255 4.350 -0.000 0.000 0.194 199 E C 1.535 178.090 176.600 -0.075 0.000 0.996 199 E CA 0.690 57.061 56.400 -0.047 0.000 0.840 199 E CB 0.130 29.801 29.700 -0.050 0.000 0.772 199 E HN 0.521 nan 8.360 nan 0.000 0.491 200 M N -0.177 119.361 119.600 -0.103 0.000 2.476 200 M HA 0.046 4.526 4.480 -0.000 0.000 0.262 200 M C 1.870 178.105 176.300 -0.107 0.000 1.111 200 M CA 0.693 55.938 55.300 -0.092 0.000 1.127 200 M CB 0.256 32.815 32.600 -0.068 0.000 1.376 200 M HN 0.115 nan 8.290 nan 0.000 0.465 201 I N -0.158 120.309 120.570 -0.172 0.000 2.500 201 I HA -0.175 3.995 4.170 -0.000 0.000 0.252 201 I C 2.203 178.263 176.117 -0.095 0.000 1.142 201 I CA 0.753 61.952 61.300 -0.168 0.000 1.451 201 I CB -0.231 37.609 38.000 -0.268 0.000 1.093 201 I HN 0.201 nan 8.210 nan 0.000 0.430 202 E N 0.754 120.908 120.200 -0.077 0.000 2.150 202 E HA -0.140 4.210 4.350 -0.000 0.000 0.193 202 E C 2.264 178.837 176.600 -0.045 0.000 0.985 202 E CA 1.600 57.968 56.400 -0.053 0.000 0.814 202 E CB -0.203 29.470 29.700 -0.045 0.000 0.752 202 E HN 0.501 nan 8.360 nan 0.000 0.466 203 S N -0.696 114.976 115.700 -0.047 0.000 2.562 203 S HA 0.158 4.628 4.470 -0.000 0.000 0.221 203 S C 1.625 176.208 174.600 -0.029 0.000 0.975 203 S CA 0.621 58.800 58.200 -0.035 0.000 0.918 203 S CB 0.129 63.308 63.200 -0.035 0.000 0.772 203 S HN 0.292 nan 8.310 nan 0.000 0.531 204 G N 0.688 109.466 108.800 -0.037 0.000 2.153 204 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.252 204 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.252 204 G C 0.615 175.504 174.900 -0.018 0.000 0.994 204 G CA 0.318 45.400 45.100 -0.029 0.000 0.698 204 G HN 0.635 nan 8.290 nan 0.000 0.521 205 V N -0.389 119.513 119.914 -0.019 0.000 2.809 205 V HA 0.206 4.326 4.120 -0.000 0.000 0.256 205 V C 1.448 177.543 176.094 0.001 0.000 1.080 205 V CA 1.596 63.896 62.300 0.001 0.000 1.102 205 V CB -0.078 31.746 31.823 0.003 0.000 0.705 205 V HN 0.513 nan 8.190 nan 0.000 0.475 206 I N 0.850 121.407 120.570 -0.021 0.000 2.436 206 I HA 0.369 4.538 4.170 -0.000 0.000 0.289 206 I C -0.532 175.564 176.117 -0.035 0.000 1.010 206 I CA -0.215 61.074 61.300 -0.018 0.000 1.098 206 I CB 1.746 39.740 38.000 -0.011 0.000 1.266 206 I HN 0.063 nan 8.210 nan 0.000 0.434 207 N N 6.828 125.517 118.700 -0.018 0.000 2.443 207 N HA 0.375 5.115 4.740 -0.000 0.000 0.269 207 N C 0.195 175.699 175.510 -0.011 0.000 0.985 207 N CA -0.377 52.661 53.050 -0.019 0.000 0.921 207 N CB 1.933 40.414 38.487 -0.010 0.000 1.195 207 N HN 0.581 nan 8.380 nan 0.000 0.492 208 L N 2.471 123.684 121.223 -0.017 0.000 2.509 208 L HA 0.130 4.470 4.340 -0.000 0.000 0.222 208 L C 1.900 178.772 176.870 0.003 0.000 1.123 208 L CA 0.442 55.282 54.840 -0.001 0.000 0.856 208 L CB 0.071 42.127 42.059 -0.005 0.000 0.985 208 L HN 0.312 nan 8.230 nan 0.000 0.456 209 K N 0.127 120.525 120.400 -0.003 0.000 2.244 209 K HA 0.096 4.416 4.320 -0.000 0.000 0.200 209 K C 0.343 176.944 176.600 0.002 0.000 1.052 209 K CA 0.629 56.915 56.287 -0.000 0.000 0.980 209 K CB 0.245 32.742 32.500 -0.004 0.000 0.838 209 K HN 0.431 nan 8.250 nan 0.000 0.481 210 D N -1.369 119.032 120.400 0.001 0.000 2.720 210 D HA 0.371 5.011 4.640 -0.000 0.000 0.232 210 D C -0.451 175.852 176.300 0.006 0.000 1.173 210 D CA -0.756 53.246 54.000 0.005 0.000 1.082 210 D CB 0.314 41.116 40.800 0.005 0.000 1.235 210 D HN -0.120 nan 8.370 nan 0.000 0.636 211 A N -0.635 122.190 122.820 0.009 0.000 2.793 211 A HA 0.380 4.700 4.320 -0.000 0.000 0.301 211 A C 0.737 178.330 177.584 0.015 0.000 1.172 211 A CA 0.021 52.064 52.037 0.010 0.000 0.973 211 A CB -0.861 18.148 19.000 0.015 0.000 1.164 211 A HN 0.532 nan 8.150 nan 0.000 0.542 212 T N -2.690 111.872 114.554 0.013 0.000 3.107 212 T HA 0.141 4.491 4.350 -0.000 0.000 0.249 212 T C 0.699 175.409 174.700 0.017 0.000 1.096 212 T CA 0.217 62.329 62.100 0.020 0.000 1.012 212 T CB -0.312 68.564 68.868 0.013 0.000 0.977 212 T HN 0.181 nan 8.240 nan 0.000 0.527 213 S N 1.812 117.513 115.700 0.002 0.000 2.546 213 S HA 0.181 4.651 4.470 -0.000 0.000 0.290 213 S C 0.975 175.561 174.600 -0.023 0.000 1.290 213 S CA -0.248 57.947 58.200 -0.008 0.000 1.069 213 S CB 0.751 63.941 63.200 -0.016 0.000 0.846 213 S HN 0.450 nan 8.310 nan 0.000 0.495 214 K N 1.383 121.787 120.400 0.006 0.000 2.412 214 K HA 0.201 4.521 4.320 -0.000 0.000 0.202 214 K C -0.611 175.993 176.600 0.005 0.000 1.102 214 K CA 0.191 56.501 56.287 0.038 0.000 1.027 214 K CB 0.837 33.410 32.500 0.121 0.000 0.931 214 K HN 0.362 nan 8.250 nan 0.000 0.557 215 V N 1.707 121.631 119.914 0.016 0.000 2.448 215 V HA 0.472 4.592 4.120 -0.000 0.000 0.295 215 V C -0.348 175.779 176.094 0.055 0.000 1.025 215 V CA -1.097 61.238 62.300 0.059 0.000 0.859 215 V CB 1.360 33.248 31.823 0.108 0.000 0.988 215 V HN 0.118 nan 8.190 nan 0.000 0.431 216 A N 5.902 128.771 122.820 0.081 0.000 2.303 216 A HA 0.890 5.210 4.320 -0.000 0.000 0.317 216 A C -0.701 176.969 177.584 0.143 0.000 1.149 216 A CA -0.506 51.595 52.037 0.107 0.000 0.822 216 A CB 0.690 19.782 19.000 0.153 0.000 1.131 216 A HN 0.804 nan 8.150 nan 0.000 0.493 217 L N 2.000 123.302 121.223 0.132 0.000 2.346 217 L HA 0.650 4.990 4.340 -0.000 0.000 0.276 217 L C -1.105 175.839 176.870 0.123 0.000 1.006 217 L CA -0.897 54.051 54.840 0.180 0.000 0.817 217 L CB 2.057 44.271 42.059 0.259 0.000 1.272 217 L HN 0.426 nan 8.230 nan 0.000 0.421 218 V N 2.604 122.536 119.914 0.029 0.000 2.569 218 V HA 0.447 4.567 4.120 -0.000 0.000 0.301 218 V C -1.359 174.645 176.094 -0.151 0.000 1.044 218 V CA -0.659 61.632 62.300 -0.016 0.000 0.874 218 V CB 1.801 33.590 31.823 -0.057 0.000 1.002 218 V HN 0.451 nan 8.190 nan 0.000 0.424 219 Y N 1.594 121.906 120.300 0.020 0.000 2.425 219 Y HA 0.773 5.323 4.550 -0.000 0.000 0.344 219 Y C 0.601 176.508 175.900 0.013 0.000 0.969 219 Y CA -0.669 57.449 58.100 0.030 0.000 1.052 219 Y CB 2.817 41.285 38.460 0.014 0.000 1.215 219 Y HN 0.714 nan 8.280 nan 0.000 0.451 220 G N 3.702 112.591 108.800 0.148 0.000 3.582 220 G HA2 0.294 4.254 3.960 -0.000 0.000 0.302 220 G HA3 0.294 4.254 3.960 -0.000 0.000 0.302 220 G C -1.004 173.954 174.900 0.098 0.000 1.418 220 G CA -0.601 44.556 45.100 0.094 0.000 0.718 220 G HN 0.328 nan 8.290 nan 0.000 0.479 221 Q N 0.921 120.795 119.800 0.123 0.000 2.189 221 Q HA 0.367 4.707 4.340 -0.000 0.000 0.193 221 Q C 1.708 177.747 176.000 0.065 0.000 1.034 221 Q CA -0.830 55.038 55.803 0.109 0.000 1.062 221 Q CB 0.830 29.647 28.738 0.132 0.000 1.118 221 Q HN 0.473 nan 8.270 nan 0.000 0.569 222 M N 1.391 121.023 119.600 0.054 0.000 2.530 222 M HA -0.165 4.315 4.480 -0.000 0.000 0.261 222 M C 1.180 177.497 176.300 0.027 0.000 1.067 222 M CA 0.950 56.271 55.300 0.035 0.000 1.071 222 M CB -0.366 32.251 32.600 0.028 0.000 1.405 222 M HN 0.500 nan 8.290 nan 0.000 0.478 223 N N -0.112 118.606 118.700 0.030 0.000 2.398 223 N HA -0.009 4.731 4.740 -0.000 0.000 0.188 223 N C -0.095 175.427 175.510 0.021 0.000 1.122 223 N CA 0.438 53.502 53.050 0.022 0.000 0.866 223 N CB -0.018 38.481 38.487 0.020 0.000 0.970 223 N HN 0.193 nan 8.380 nan 0.000 0.462 224 E N 1.693 121.908 120.200 0.025 0.000 2.283 224 E HA 0.391 4.741 4.350 -0.000 0.000 0.271 224 E C -2.228 174.382 176.600 0.016 0.000 1.031 224 E CA -2.140 54.273 56.400 0.022 0.000 0.868 224 E CB 0.863 30.581 29.700 0.030 0.000 1.094 224 E HN 0.184 nan 8.360 nan 0.000 0.401 225 P HA 0.052 nan 4.420 nan 0.000 0.271 225 P C -1.904 175.398 177.300 0.003 0.000 1.233 225 P CA -1.028 62.077 63.100 0.007 0.000 0.789 225 P CB -0.042 31.662 31.700 0.008 0.000 0.951 226 P HA -0.210 nan 4.420 nan 0.000 0.216 226 P C 1.643 178.933 177.300 -0.016 0.000 1.153 226 P CA 2.147 65.236 63.100 -0.019 0.000 0.858 226 P CB -0.755 30.928 31.700 -0.030 0.000 0.789 227 G N 0.439 109.237 108.800 -0.005 0.000 2.469 227 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.219 227 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.219 227 G C 1.832 176.743 174.900 0.019 0.000 1.150 227 G CA 1.347 46.451 45.100 0.007 0.000 0.763 227 G HN 0.408 nan 8.290 nan 0.000 0.561 228 A N 0.564 123.396 122.820 0.020 0.000 1.898 228 A HA 0.068 4.388 4.320 -0.000 0.000 0.216 228 A C 2.422 180.022 177.584 0.028 0.000 1.181 228 A CA 1.427 53.480 52.037 0.026 0.000 0.620 228 A CB -0.340 18.676 19.000 0.027 0.000 0.819 228 A HN 0.343 nan 8.150 nan 0.000 0.442 229 R N -0.494 120.018 120.500 0.021 0.000 2.193 229 R HA -0.027 4.313 4.340 -0.000 0.000 0.229 229 R C 2.118 178.441 176.300 0.037 0.000 1.110 229 R CA 0.930 57.043 56.100 0.023 0.000 0.988 229 R CB -0.312 29.992 30.300 0.006 0.000 0.871 229 R HN 0.509 nan 8.270 nan 0.000 0.458 230 A N 0.471 123.304 122.820 0.022 0.000 2.119 230 A HA -0.006 4.314 4.320 -0.000 0.000 0.216 230 A C 1.706 179.384 177.584 0.158 0.000 1.152 230 A CA 0.717 52.773 52.037 0.031 0.000 0.708 230 A CB 0.171 19.135 19.000 -0.059 0.000 0.805 230 A HN 0.063 nan 8.150 nan 0.000 0.460 231 R N -0.955 119.603 120.500 0.097 0.000 2.342 231 R HA 0.072 4.412 4.340 -0.000 0.000 0.204 231 R C 1.900 178.204 176.300 0.006 0.000 0.882 231 R CA 1.198 57.336 56.100 0.063 0.000 1.041 231 R CB -0.989 29.334 30.300 0.039 0.000 1.188 231 R HN 0.450 nan 8.270 nan 0.000 0.598 232 V N 0.291 120.210 119.914 0.009 0.000 2.313 232 V HA -0.264 3.856 4.120 -0.000 0.000 0.253 232 V C 2.419 178.470 176.094 -0.072 0.000 1.070 232 V CA 2.146 64.430 62.300 -0.026 0.000 1.057 232 V CB -1.431 30.380 31.823 -0.020 0.000 0.653 232 V HN 0.182 nan 8.190 nan 0.000 0.450 233 A N 0.947 123.722 122.820 -0.074 0.000 1.908 233 A HA -0.081 4.239 4.320 -0.000 0.000 0.218 233 A C 2.267 179.742 177.584 -0.182 0.000 1.181 233 A CA 2.288 54.233 52.037 -0.153 0.000 0.627 233 A CB -0.627 18.254 19.000 -0.198 0.000 0.818 233 A HN 0.602 nan 8.150 nan 0.000 0.445 234 L N -0.903 120.218 121.223 -0.171 0.000 2.093 234 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 234 L C 2.754 179.529 176.870 -0.158 0.000 1.085 234 L CA 1.630 56.352 54.840 -0.197 0.000 0.755 234 L CB -1.350 40.559 42.059 -0.250 0.000 0.904 234 L HN 0.338 nan 8.230 nan 0.000 0.435 235 T N 0.282 114.760 114.554 -0.128 0.000 2.635 235 T HA -0.188 4.162 4.350 -0.000 0.000 0.267 235 T C 1.908 176.549 174.700 -0.099 0.000 1.040 235 T CA 1.673 63.713 62.100 -0.100 0.000 1.156 235 T CB -0.776 68.051 68.868 -0.070 0.000 0.863 235 T HN 0.561 nan 8.240 nan 0.000 0.430 236 G N 1.381 110.118 108.800 -0.105 0.000 2.440 236 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.218 236 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.218 236 G C 1.546 176.392 174.900 -0.090 0.000 1.154 236 G CA 0.984 46.025 45.100 -0.098 0.000 0.767 236 G HN 0.445 nan 8.290 nan 0.000 0.552 237 L N 0.981 122.132 121.223 -0.119 0.000 2.093 237 L HA 0.032 4.372 4.340 -0.000 0.000 0.208 237 L C 2.740 179.560 176.870 -0.083 0.000 1.085 237 L CA 2.606 57.378 54.840 -0.113 0.000 0.755 237 L CB -1.038 40.928 42.059 -0.154 0.000 0.904 237 L HN 0.156 nan 8.230 nan 0.000 0.435 238 T N -0.882 113.616 114.554 -0.092 0.000 2.788 238 T HA -0.141 4.209 4.350 -0.000 0.000 0.268 238 T C 1.995 176.644 174.700 -0.085 0.000 1.044 238 T CA 1.546 63.599 62.100 -0.078 0.000 1.139 238 T CB -0.411 68.405 68.868 -0.087 0.000 0.867 238 T HN 0.232 nan 8.240 nan 0.000 0.454 239 V N 1.824 121.676 119.914 -0.104 0.000 2.295 239 V HA -0.189 3.931 4.120 -0.000 0.000 0.246 239 V C 2.925 178.959 176.094 -0.100 0.000 1.049 239 V CA 1.783 63.987 62.300 -0.161 0.000 1.024 239 V CB -1.256 30.523 31.823 -0.074 0.000 0.648 239 V HN 0.535 nan 8.190 nan 0.000 0.447 240 A N -0.430 122.421 122.820 0.051 0.000 1.933 240 A HA -0.243 4.077 4.320 -0.000 0.000 0.218 240 A C 2.154 179.802 177.584 0.107 0.000 1.175 240 A CA 1.848 53.981 52.037 0.159 0.000 0.628 240 A CB -0.496 18.547 19.000 0.071 0.000 0.814 240 A HN 0.641 nan 8.150 nan 0.000 0.444 241 E N -1.809 118.406 120.200 0.025 0.000 2.153 241 E HA -0.207 4.143 4.350 -0.000 0.000 0.194 241 E C 1.769 178.381 176.600 0.019 0.000 0.988 241 E CA 1.351 57.758 56.400 0.013 0.000 0.811 241 E CB -0.276 29.416 29.700 -0.013 0.000 0.746 241 E HN 0.822 nan 8.360 nan 0.000 0.466 242 Y N 0.244 120.457 120.300 -0.146 0.000 2.163 242 Y HA -0.229 4.321 4.550 -0.000 0.000 0.288 242 Y C 1.780 177.626 175.900 -0.089 0.000 1.136 242 Y CA 1.468 59.450 58.100 -0.197 0.000 1.147 242 Y CB -0.173 38.044 38.460 -0.406 0.000 0.987 242 Y HN -0.067 nan 8.280 nan 0.000 0.509 243 F N 0.329 120.441 119.950 0.270 0.000 2.216 243 F HA -0.129 4.398 4.527 0.000 0.000 0.300 243 F C 2.661 178.507 175.800 0.076 0.000 1.085 243 F CA 1.606 59.748 58.000 0.237 0.000 1.326 243 F CB -0.830 38.356 39.000 0.311 0.000 1.027 243 F HN 0.019 nan 8.300 nan 0.000 0.497 244 R N 0.401 121.021 120.500 0.200 0.000 2.061 244 R HA -0.121 4.219 4.340 -0.000 0.000 0.230 244 R C 1.747 178.051 176.300 0.006 0.000 1.140 244 R CA 2.010 58.160 56.100 0.084 0.000 0.940 244 R CB -0.265 30.062 30.300 0.046 0.000 0.839 244 R HN 0.177 nan 8.270 nan 0.000 0.429 245 D N 0.151 120.521 120.400 -0.050 0.000 2.232 245 D HA -0.072 4.568 4.640 -0.000 0.000 0.220 245 D C 1.215 177.412 176.300 -0.171 0.000 0.982 245 D CA 0.611 54.554 54.000 -0.095 0.000 0.892 245 D CB -0.312 40.430 40.800 -0.096 0.000 1.040 245 D HN 0.154 nan 8.370 nan 0.000 0.463 246 Q N 0.768 120.356 119.800 -0.355 0.000 2.319 246 Q HA 0.040 4.380 4.340 -0.000 0.000 0.217 246 Q C 0.122 175.872 176.000 -0.417 0.000 0.924 246 Q CA 0.607 56.075 55.803 -0.558 0.000 0.964 246 Q CB 0.111 28.077 28.738 -1.285 0.000 1.025 246 Q HN 0.528 nan 8.270 nan 0.000 0.465 247 E N -1.920 118.186 120.200 -0.157 0.000 2.195 247 E HA 0.021 4.371 4.350 -0.000 0.000 0.153 247 E C -0.040 176.566 176.600 0.010 0.000 0.856 247 E CA 0.160 56.558 56.400 -0.003 0.000 1.326 247 E CB 0.277 30.087 29.700 0.184 0.000 1.891 247 E HN 0.405 nan 8.360 nan 0.000 0.660 248 G N 2.894 111.686 108.800 -0.015 0.000 2.137 248 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.241 248 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.241 248 G C -0.242 174.648 174.900 -0.017 0.000 0.689 248 G CA 1.574 46.666 45.100 -0.014 0.000 1.099 248 G HN 0.160 nan 8.290 nan 0.000 0.332 249 Q N 0.290 120.091 119.800 0.001 0.000 2.416 249 Q HA 0.340 4.680 4.340 -0.000 0.000 0.281 249 Q C -1.248 174.751 176.000 -0.000 0.000 1.067 249 Q CA -1.048 54.724 55.803 -0.052 0.000 0.809 249 Q CB 1.618 30.261 28.738 -0.160 0.000 1.418 249 Q HN 0.315 nan 8.270 nan 0.000 0.411 250 D N 1.592 121.995 120.400 0.004 0.000 2.342 250 D HA 0.185 4.825 4.640 -0.000 0.000 0.260 250 D C -0.776 175.624 176.300 0.166 0.000 1.278 250 D CA 0.257 54.312 54.000 0.091 0.000 0.910 250 D CB 0.782 41.670 40.800 0.147 0.000 1.079 250 D HN 0.109 nan 8.370 nan 0.000 0.496 251 V N 3.573 123.533 119.914 0.076 0.000 2.567 251 V HA 0.324 4.444 4.120 -0.000 0.000 0.289 251 V C 0.501 176.523 176.094 -0.119 0.000 1.049 251 V CA -0.801 61.531 62.300 0.052 0.000 0.969 251 V CB 1.386 33.275 31.823 0.109 0.000 0.995 251 V HN 0.337 nan 8.190 nan 0.000 0.471 252 L N 4.951 126.054 121.223 -0.200 0.000 2.307 252 L HA 0.565 4.905 4.340 -0.000 0.000 0.284 252 L C -0.816 175.830 176.870 -0.373 0.000 1.023 252 L CA -0.616 53.984 54.840 -0.400 0.000 0.810 252 L CB 1.641 43.425 42.059 -0.458 0.000 1.231 252 L HN 0.440 nan 8.230 nan 0.000 0.423 253 L N 4.053 124.962 121.223 -0.525 0.000 2.343 253 L HA 0.572 4.912 4.340 -0.000 0.000 0.278 253 L C -1.294 175.222 176.870 -0.590 0.000 0.996 253 L CA 0.048 54.651 54.840 -0.394 0.000 0.831 253 L CB 1.111 43.025 42.059 -0.241 0.000 1.232 253 L HN 0.192 nan 8.230 nan 0.000 0.413 254 F N 6.066 125.908 119.950 -0.180 0.000 2.444 254 F HA 0.606 5.133 4.527 -0.000 0.000 0.342 254 F C 0.047 175.474 175.800 -0.622 0.000 1.121 254 F CA -0.531 57.286 58.000 -0.305 0.000 0.997 254 F CB 1.338 40.254 39.000 -0.141 0.000 1.130 254 F HN 0.224 nan 8.300 nan 0.000 0.454 255 I N 2.957 123.322 120.570 -0.342 0.000 2.418 255 I HA 0.311 4.481 4.170 -0.000 0.000 0.287 255 I C -1.289 174.637 176.117 -0.319 0.000 1.008 255 I CA -0.521 60.530 61.300 -0.414 0.000 1.104 255 I CB 1.929 39.756 38.000 -0.288 0.000 1.264 255 I HN 0.437 nan 8.210 nan 0.000 0.438 256 D N 6.161 126.349 120.400 -0.353 0.000 2.476 256 D HA 0.261 4.901 4.640 -0.000 0.000 0.251 256 D C -1.283 174.995 176.300 -0.036 0.000 1.291 256 D CA -0.249 53.691 54.000 -0.100 0.000 0.939 256 D CB 1.315 42.151 40.800 0.061 0.000 1.221 256 D HN 0.414 nan 8.370 nan 0.000 0.567 257 N N 4.225 122.927 118.700 0.005 0.000 2.296 257 N HA 0.167 4.907 4.740 -0.000 0.000 0.294 257 N C 0.550 176.085 175.510 0.041 0.000 1.033 257 N CA -0.510 52.558 53.050 0.030 0.000 0.839 257 N CB 1.658 40.207 38.487 0.103 0.000 1.395 257 N HN 0.315 nan 8.380 nan 0.000 0.479 258 I N 3.954 124.522 120.570 -0.003 0.000 2.756 258 I HA -0.063 4.107 4.170 -0.000 0.000 0.262 258 I C 1.623 177.807 176.117 0.111 0.000 1.225 258 I CA 0.643 61.936 61.300 -0.013 0.000 1.472 258 I CB -0.614 37.315 38.000 -0.118 0.000 1.094 258 I HN 0.613 nan 8.210 nan 0.000 0.454 259 F N 1.514 121.486 119.950 0.037 0.000 2.202 259 F HA -0.214 4.313 4.527 -0.000 0.000 0.301 259 F C 2.278 178.161 175.800 0.138 0.000 1.082 259 F CA 1.479 59.547 58.000 0.113 0.000 1.313 259 F CB -0.358 38.754 39.000 0.187 0.000 1.024 259 F HN -0.013 nan 8.300 nan 0.000 0.495 260 R N -0.149 120.377 120.500 0.044 0.000 2.241 260 R HA -0.193 4.147 4.340 -0.000 0.000 0.224 260 R C 2.134 178.376 176.300 -0.096 0.000 1.101 260 R CA 1.257 57.313 56.100 -0.073 0.000 0.995 260 R CB -1.622 28.709 30.300 0.051 0.000 0.870 260 R HN 0.498 nan 8.270 nan 0.000 0.463 261 F N 1.420 121.263 119.950 -0.179 0.000 2.163 261 F HA -0.116 4.411 4.527 0.000 0.000 0.297 261 F C 1.927 177.622 175.800 -0.175 0.000 1.094 261 F CA 1.432 59.344 58.000 -0.147 0.000 1.290 261 F CB -0.278 38.649 39.000 -0.122 0.000 1.017 261 F HN -0.157 nan 8.300 nan 0.000 0.483 262 T N 0.251 114.644 114.554 -0.268 0.000 2.857 262 T HA -0.186 4.164 4.350 -0.000 0.000 0.266 262 T C 1.902 176.392 174.700 -0.349 0.000 1.048 262 T CA 1.417 63.296 62.100 -0.368 0.000 1.139 262 T CB -0.309 68.440 68.868 -0.198 0.000 0.874 262 T HN 0.449 nan 8.240 nan 0.000 0.455 263 Q N 0.723 120.190 119.800 -0.555 0.000 2.079 263 Q HA -0.054 4.286 4.340 -0.000 0.000 0.200 263 Q C 2.483 178.352 176.000 -0.219 0.000 0.974 263 Q CA 1.354 56.913 55.803 -0.407 0.000 0.840 263 Q CB -0.273 28.113 28.738 -0.585 0.000 0.898 263 Q HN 0.510 nan 8.270 nan 0.000 0.430 264 A N 0.622 123.308 122.820 -0.223 0.000 1.940 264 A HA -0.129 4.191 4.320 -0.000 0.000 0.219 264 A C 2.239 179.727 177.584 -0.160 0.000 1.176 264 A CA 1.674 53.621 52.037 -0.151 0.000 0.631 264 A CB -1.258 17.668 19.000 -0.124 0.000 0.814 264 A HN 0.609 nan 8.150 nan 0.000 0.446 265 G N 0.053 108.708 108.800 -0.241 0.000 2.421 265 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.216 265 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.216 265 G C 1.975 176.806 174.900 -0.116 0.000 1.171 265 G CA 1.795 46.763 45.100 -0.220 0.000 0.775 265 G HN 0.903 nan 8.290 nan 0.000 0.543 266 S N 0.558 116.211 115.700 -0.079 0.000 2.419 266 S HA -0.071 4.399 4.470 -0.000 0.000 0.233 266 S C 1.931 176.497 174.600 -0.057 0.000 1.016 266 S CA 1.634 59.810 58.200 -0.040 0.000 0.974 266 S CB -0.291 62.886 63.200 -0.038 0.000 0.786 266 S HN 0.592 nan 8.310 nan 0.000 0.492 267 E N 0.837 120.998 120.200 -0.065 0.000 2.077 267 E HA -0.088 4.262 4.350 -0.000 0.000 0.193 267 E C 2.081 178.657 176.600 -0.039 0.000 0.989 267 E CA 1.608 57.979 56.400 -0.049 0.000 0.800 267 E CB -0.235 29.438 29.700 -0.046 0.000 0.746 267 E HN 0.702 nan 8.360 nan 0.000 0.452 268 V N -2.322 117.566 119.914 -0.044 0.000 3.660 268 V HA 0.113 4.233 4.120 -0.000 0.000 0.276 268 V C 2.013 178.091 176.094 -0.027 0.000 1.317 268 V CA 0.636 62.918 62.300 -0.031 0.000 1.097 268 V CB 0.634 32.439 31.823 -0.030 0.000 0.863 268 V HN 0.060 nan 8.190 nan 0.000 0.438 269 S N 1.922 117.603 115.700 -0.031 0.000 2.369 269 S HA -0.281 4.189 4.470 -0.000 0.000 0.225 269 S C 2.198 176.791 174.600 -0.012 0.000 1.043 269 S CA 2.647 60.834 58.200 -0.021 0.000 1.074 269 S CB -0.574 62.617 63.200 -0.015 0.000 0.962 269 S HN 1.037 nan 8.310 nan 0.000 0.433 270 A N 1.170 123.983 122.820 -0.012 0.000 1.902 270 A HA 0.044 4.364 4.320 -0.000 0.000 0.217 270 A C 2.185 179.766 177.584 -0.005 0.000 1.181 270 A CA 1.537 53.570 52.037 -0.007 0.000 0.623 270 A CB -0.794 18.201 19.000 -0.009 0.000 0.818 270 A HN 0.606 nan 8.150 nan 0.000 0.443 271 L N -0.760 120.459 121.223 -0.007 0.000 2.456 271 L HA -0.042 4.298 4.340 -0.000 0.000 0.224 271 L C 1.629 178.499 176.870 -0.001 0.000 1.148 271 L CA 0.413 55.251 54.840 -0.003 0.000 0.825 271 L CB -0.361 41.696 42.059 -0.004 0.000 0.937 271 L HN 0.338 nan 8.230 nan 0.000 0.450 272 L N -0.254 120.967 121.223 -0.003 0.000 2.611 272 L HA 0.196 4.536 4.340 -0.000 0.000 0.229 272 L C 1.272 178.144 176.870 0.003 0.000 1.137 272 L CA 0.305 55.145 54.840 0.000 0.000 0.901 272 L CB -0.209 41.847 42.059 -0.005 0.000 1.098 272 L HN 0.412 nan 8.230 nan 0.000 0.456 273 G N 0.822 109.623 108.800 0.002 0.000 2.149 273 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.235 273 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.235 273 G C 0.038 174.940 174.900 0.004 0.000 1.018 273 G CA -0.242 44.861 45.100 0.004 0.000 0.728 273 G HN 0.330 nan 8.290 nan 0.000 0.508 274 R N -0.630 119.872 120.500 0.003 0.000 2.428 274 R HA 0.688 5.028 4.340 -0.000 0.000 0.294 274 R C 0.960 177.264 176.300 0.008 0.000 1.000 274 R CA -0.783 55.320 56.100 0.006 0.000 0.960 274 R CB 1.085 31.388 30.300 0.006 0.000 1.076 274 R HN 0.294 nan 8.270 nan 0.000 0.475 275 I N 4.916 125.493 120.570 0.011 0.000 2.556 275 I HA 0.111 4.280 4.170 -0.000 0.000 0.284 275 I C -1.583 174.545 176.117 0.018 0.000 1.114 275 I CA -1.662 59.646 61.300 0.013 0.000 1.418 275 I CB 0.613 38.621 38.000 0.013 0.000 1.394 275 I HN 0.342 nan 8.210 nan 0.000 0.552 276 P HA 0.025 nan 4.420 nan 0.000 0.268 276 P C -0.423 176.901 177.300 0.040 0.000 1.205 276 P CA -0.090 63.027 63.100 0.027 0.000 0.771 276 P CB 1.095 32.805 31.700 0.017 0.000 0.858 277 S N 1.534 117.272 115.700 0.064 0.000 2.690 277 S HA 0.630 5.100 4.470 -0.000 0.000 0.285 277 S C 0.005 174.661 174.600 0.093 0.000 1.135 277 S CA -0.443 57.803 58.200 0.075 0.000 1.020 277 S CB 0.334 63.585 63.200 0.084 0.000 1.159 277 S HN 0.600 nan 8.310 nan 0.000 0.534 278 A N 0.453 123.333 122.820 0.101 0.000 2.561 278 A HA 0.369 4.689 4.320 -0.000 0.000 0.234 278 A C 1.024 178.711 177.584 0.171 0.000 1.055 278 A CA 0.455 52.558 52.037 0.111 0.000 0.756 278 A CB -0.894 18.167 19.000 0.102 0.000 0.986 278 A HN 1.724 nan 8.150 nan 0.000 0.505 279 V N 1.019 121.004 119.914 0.119 0.000 4.112 279 V HA -0.293 3.827 4.120 -0.000 0.000 0.233 279 V C 1.743 177.826 176.094 -0.018 0.000 0.458 279 V CA 1.634 63.995 62.300 0.101 0.000 0.909 279 V CB -2.522 29.433 31.823 0.221 0.000 0.963 279 V HN 2.946 nan 8.190 nan 0.000 1.260 280 G N -2.756 106.035 108.800 -0.014 0.000 2.159 280 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.256 280 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.256 280 G C -0.187 174.630 174.900 -0.139 0.000 0.977 280 G CA 0.445 45.486 45.100 -0.098 0.000 0.652 280 G HN 0.873 nan 8.290 nan 0.000 0.531 281 Y N 1.134 121.453 120.300 0.031 0.000 2.392 281 Y HA 0.523 5.073 4.550 -0.000 0.000 0.323 281 Y C 1.193 177.094 175.900 0.001 0.000 1.291 281 Y CA -0.406 57.704 58.100 0.017 0.000 1.345 281 Y CB 0.497 38.977 38.460 0.033 0.000 1.320 281 Y HN 0.336 nan 8.280 nan 0.000 0.518 282 Q N 1.614 121.522 119.800 0.180 0.000 2.352 282 Q HA 0.137 4.477 4.340 -0.000 0.000 0.260 282 Q C -2.430 173.615 176.000 0.075 0.000 0.976 282 Q CA -1.724 54.128 55.803 0.081 0.000 0.881 282 Q CB 0.811 29.567 28.738 0.029 0.000 1.235 282 Q HN 0.376 nan 8.270 nan 0.000 0.419 283 P HA -0.116 nan 4.420 nan 0.000 0.219 283 P C 0.860 178.177 177.300 0.029 0.000 1.146 283 P CA 1.746 64.870 63.100 0.040 0.000 0.808 283 P CB 0.006 31.723 31.700 0.028 0.000 0.779 284 T N -4.176 110.389 114.554 0.020 0.000 3.235 284 T HA 0.161 4.511 4.350 -0.000 0.000 0.251 284 T C 1.449 176.156 174.700 0.011 0.000 1.060 284 T CA -0.278 61.831 62.100 0.014 0.000 0.949 284 T CB -1.000 67.870 68.868 0.003 0.000 1.020 284 T HN -0.022 nan 8.240 nan 0.000 0.564 285 L N 1.070 122.297 121.223 0.007 0.000 1.978 285 L HA -0.147 4.193 4.340 -0.000 0.000 0.218 285 L C 2.840 179.725 176.870 0.024 0.000 1.075 285 L CA 2.137 56.968 54.840 -0.014 0.000 0.767 285 L CB -0.681 41.342 42.059 -0.060 0.000 0.890 285 L HN 0.423 nan 8.230 nan 0.000 0.434 286 A N -1.231 121.613 122.820 0.040 0.000 1.968 286 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 286 A C 2.270 179.909 177.584 0.092 0.000 1.169 286 A CA 1.811 53.895 52.037 0.079 0.000 0.638 286 A CB -0.929 18.116 19.000 0.075 0.000 0.812 286 A HN 0.650 nan 8.150 nan 0.000 0.446 287 T N -2.548 112.047 114.554 0.069 0.000 2.896 287 T HA -0.094 4.256 4.350 -0.000 0.000 0.263 287 T C 1.365 176.116 174.700 0.084 0.000 1.050 287 T CA 1.263 63.404 62.100 0.069 0.000 1.140 287 T CB -0.393 68.503 68.868 0.047 0.000 0.877 287 T HN 0.278 nan 8.240 nan 0.000 0.457 288 D N 1.068 121.523 120.400 0.092 0.000 2.123 288 D HA -0.062 4.578 4.640 -0.000 0.000 0.196 288 D C 1.940 178.401 176.300 0.269 0.000 0.992 288 D CA 1.126 55.223 54.000 0.162 0.000 0.833 288 D CB -0.375 40.471 40.800 0.077 0.000 0.954 288 D HN 0.408 nan 8.370 nan 0.000 0.455 289 M N 0.026 119.752 119.600 0.210 0.000 2.254 289 M HA -0.027 4.453 4.480 -0.000 0.000 0.265 289 M C 1.918 178.143 176.300 -0.126 0.000 1.066 289 M CA 1.651 57.009 55.300 0.097 0.000 1.123 289 M CB 0.019 32.659 32.600 0.067 0.000 1.388 289 M HN -0.004 nan 8.290 nan 0.000 0.425 290 G N -0.345 108.457 108.800 0.003 0.000 2.394 290 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.214 290 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.214 290 G C 1.435 176.337 174.900 0.003 0.000 1.176 290 G CA 1.347 46.475 45.100 0.047 0.000 0.786 290 G HN 0.575 nan 8.290 nan 0.000 0.533 291 T N -1.634 112.934 114.554 0.023 0.000 2.929 291 T HA -0.048 4.302 4.350 -0.000 0.000 0.271 291 T C 2.192 176.869 174.700 -0.038 0.000 1.085 291 T CA 1.626 63.736 62.100 0.017 0.000 1.125 291 T CB -0.114 68.785 68.868 0.051 0.000 0.874 291 T HN 0.236 nan 8.240 nan 0.000 0.494 292 M N -0.317 119.215 119.600 -0.113 0.000 2.276 292 M HA 0.043 4.523 4.480 -0.000 0.000 0.262 292 M C 2.429 178.578 176.300 -0.252 0.000 1.098 292 M CA 0.954 56.111 55.300 -0.239 0.000 1.167 292 M CB -0.157 32.139 32.600 -0.506 0.000 1.337 292 M HN 0.096 nan 8.290 nan 0.000 0.446 293 Q N 0.874 120.488 119.800 -0.310 0.000 2.152 293 Q HA -0.179 4.161 4.340 -0.000 0.000 0.206 293 Q C 1.661 177.584 176.000 -0.127 0.000 0.985 293 Q CA 1.420 57.040 55.803 -0.304 0.000 0.863 293 Q CB -0.525 27.823 28.738 -0.649 0.000 0.904 293 Q HN 0.573 nan 8.270 nan 0.000 0.422 294 E N 0.145 120.309 120.200 -0.059 0.000 2.409 294 E HA -0.103 4.247 4.350 -0.000 0.000 0.198 294 E C 1.758 178.346 176.600 -0.020 0.000 1.024 294 E CA 0.397 56.803 56.400 0.010 0.000 0.861 294 E CB 0.015 29.742 29.700 0.045 0.000 0.788 294 E HN 0.338 nan 8.360 nan 0.000 0.521 295 R N 0.003 120.467 120.500 -0.060 0.000 2.173 295 R HA 0.182 4.522 4.340 -0.000 0.000 0.208 295 R C 0.964 177.221 176.300 -0.073 0.000 1.035 295 R CA 0.186 56.249 56.100 -0.061 0.000 1.004 295 R CB 0.241 30.494 30.300 -0.078 0.000 0.917 295 R HN 0.055 nan 8.270 nan 0.000 0.462 296 I N 1.919 122.430 120.570 -0.099 0.000 2.293 296 I HA 0.060 4.230 4.170 -0.000 0.000 0.299 296 I C -0.068 176.004 176.117 -0.075 0.000 1.153 296 I CA 0.306 61.543 61.300 -0.106 0.000 1.302 296 I CB 0.502 38.413 38.000 -0.148 0.000 1.460 296 I HN -0.035 nan 8.210 nan 0.000 0.552 297 T N 2.770 117.288 114.554 -0.060 0.000 2.907 297 T HA 0.178 4.528 4.350 -0.000 0.000 0.344 297 T C -0.349 174.328 174.700 -0.040 0.000 1.675 297 T CA -0.451 61.623 62.100 -0.043 0.000 1.076 297 T CB 1.426 70.281 68.868 -0.021 0.000 1.483 297 T HN 0.332 nan 8.240 nan 0.000 0.487 298 T N 3.558 118.090 114.554 -0.038 0.000 2.926 298 T HA 0.557 4.907 4.350 -0.000 0.000 0.307 298 T C 0.642 175.323 174.700 -0.032 0.000 1.059 298 T CA 0.229 62.309 62.100 -0.033 0.000 1.122 298 T CB 0.622 69.471 68.868 -0.032 0.000 0.972 298 T HN 0.913 nan 8.240 nan 0.000 0.545 299 T N -0.258 114.277 114.554 -0.032 0.000 2.724 299 T HA 0.475 4.825 4.350 -0.000 0.000 0.274 299 T C 0.744 175.420 174.700 -0.040 0.000 0.984 299 T CA -1.020 61.057 62.100 -0.038 0.000 1.024 299 T CB 1.246 70.094 68.868 -0.034 0.000 1.320 299 T HN 0.370 nan 8.240 nan 0.000 0.555 300 K N -0.098 120.275 120.400 -0.046 0.000 2.486 300 K HA 0.170 4.490 4.320 -0.000 0.000 0.194 300 K C 1.888 178.467 176.600 -0.035 0.000 1.033 300 K CA 0.426 56.687 56.287 -0.043 0.000 1.004 300 K CB 0.040 32.510 32.500 -0.050 0.000 0.798 300 K HN 0.423 nan 8.250 nan 0.000 0.495 301 K N -0.209 120.171 120.400 -0.033 0.000 2.202 301 K HA 0.066 4.386 4.320 -0.000 0.000 0.201 301 K C 0.793 177.378 176.600 -0.025 0.000 1.051 301 K CA 0.546 56.815 56.287 -0.031 0.000 0.977 301 K CB 0.734 33.213 32.500 -0.035 0.000 0.792 301 K HN 0.160 nan 8.250 nan 0.000 0.469 302 G N -0.198 108.589 108.800 -0.021 0.000 2.623 302 G HA2 0.301 4.261 3.960 -0.000 0.000 0.290 302 G HA3 0.301 4.261 3.960 -0.000 0.000 0.290 302 G C -1.712 173.182 174.900 -0.011 0.000 1.437 302 G CA -0.537 44.557 45.100 -0.011 0.000 0.798 302 G HN -0.054 nan 8.290 nan 0.000 0.488 303 S N -0.454 115.243 115.700 -0.004 0.000 2.502 303 S HA 0.742 5.212 4.470 -0.000 0.000 0.304 303 S C -0.525 174.063 174.600 -0.020 0.000 1.097 303 S CA -0.750 57.442 58.200 -0.013 0.000 1.045 303 S CB 0.796 63.991 63.200 -0.009 0.000 1.019 303 S HN 0.536 nan 8.310 nan 0.000 0.481 304 I N 3.850 124.394 120.570 -0.043 0.000 2.362 304 I HA 0.270 4.440 4.170 -0.000 0.000 0.289 304 I C -0.186 175.859 176.117 -0.119 0.000 0.994 304 I CA -0.584 60.671 61.300 -0.075 0.000 1.158 304 I CB 2.105 40.062 38.000 -0.072 0.000 1.315 304 I HN 0.556 nan 8.210 nan 0.000 0.451 305 T N 4.521 118.968 114.554 -0.178 0.000 2.891 305 T HA 0.187 4.537 4.350 -0.000 0.000 0.315 305 T C 0.304 174.816 174.700 -0.314 0.000 1.054 305 T CA -0.476 61.498 62.100 -0.209 0.000 0.958 305 T CB 0.163 68.914 68.868 -0.195 0.000 1.008 305 T HN 0.690 nan 8.240 nan 0.000 0.521 306 S N 2.412 117.954 115.700 -0.262 0.000 2.499 306 S HA 0.625 5.095 4.470 -0.000 0.000 0.279 306 S C -0.201 174.209 174.600 -0.316 0.000 1.219 306 S CA -0.745 57.272 58.200 -0.305 0.000 1.062 306 S CB 1.106 64.173 63.200 -0.222 0.000 0.978 306 S HN 0.323 nan 8.310 nan 0.000 0.489 307 V N 4.607 124.307 119.914 -0.357 0.000 2.409 307 V HA 0.437 4.557 4.120 -0.000 0.000 0.290 307 V C -0.529 175.468 176.094 -0.163 0.000 1.017 307 V CA -0.590 61.567 62.300 -0.238 0.000 0.841 307 V CB 1.175 32.947 31.823 -0.085 0.000 1.003 307 V HN 1.018 nan 8.190 nan 0.000 0.426 308 Q N 3.878 123.568 119.800 -0.183 0.000 2.356 308 Q HA 0.872 5.212 4.340 -0.000 0.000 0.270 308 Q C -0.569 175.326 176.000 -0.175 0.000 1.058 308 Q CA -0.833 54.864 55.803 -0.177 0.000 0.802 308 Q CB 2.764 31.375 28.738 -0.211 0.000 1.303 308 Q HN 0.687 nan 8.270 nan 0.000 0.444 309 A N 3.489 126.239 122.820 -0.117 0.000 2.363 309 A HA 0.603 4.923 4.320 -0.000 0.000 0.270 309 A C -0.410 177.101 177.584 -0.122 0.000 1.121 309 A CA -0.515 51.469 52.037 -0.088 0.000 0.800 309 A CB 0.162 19.165 19.000 0.004 0.000 1.052 309 A HN 0.755 nan 8.150 nan 0.000 0.493 310 I N 2.781 123.234 120.570 -0.194 0.000 2.476 310 I HA 0.150 4.320 4.170 -0.000 0.000 0.281 310 I C -0.853 175.223 176.117 -0.068 0.000 1.040 310 I CA -0.496 60.674 61.300 -0.217 0.000 1.094 310 I CB 1.168 38.730 38.000 -0.730 0.000 1.219 310 I HN 0.757 nan 8.210 nan 0.000 0.450 311 Y N 7.151 127.387 120.300 -0.107 0.000 2.497 311 Y HA 0.295 4.845 4.550 -0.000 0.000 0.334 311 Y C -0.306 175.395 175.900 -0.331 0.000 1.199 311 Y CA 0.014 57.967 58.100 -0.246 0.000 1.425 311 Y CB 0.908 39.119 38.460 -0.414 0.000 1.291 311 Y HN 0.261 nan 8.280 nan 0.000 0.562 312 V N 9.074 128.464 119.914 -0.873 0.000 2.304 312 V HA 0.289 4.409 4.120 -0.000 0.000 0.278 312 V C -2.292 173.210 176.094 -0.987 0.000 1.018 312 V CA -2.111 59.804 62.300 -0.642 0.000 0.814 312 V CB 0.857 32.531 31.823 -0.249 0.000 1.021 312 V HN 0.713 nan 8.190 nan 0.000 0.440 313 P HA 0.156 nan 4.420 nan 0.000 0.268 313 P C 0.698 177.872 177.300 -0.210 0.000 1.204 313 P CA 0.583 63.412 63.100 -0.452 0.000 0.768 313 P CB 0.773 32.438 31.700 -0.060 0.000 0.842 314 A N 3.448 126.195 122.820 -0.121 0.000 2.765 314 A HA -0.282 4.038 4.320 -0.000 0.000 0.286 314 A C 0.952 178.493 177.584 -0.071 0.000 1.457 314 A CA 1.497 53.505 52.037 -0.049 0.000 0.899 314 A CB -2.566 16.431 19.000 -0.004 0.000 0.983 314 A HN 0.610 nan 8.150 nan 0.000 0.584 315 D N -2.253 118.062 120.400 -0.142 0.000 3.028 315 D HA -0.159 4.481 4.640 -0.000 0.000 0.207 315 D C -0.237 176.027 176.300 -0.061 0.000 1.100 315 D CA 2.012 55.953 54.000 -0.099 0.000 0.995 315 D CB -1.170 39.602 40.800 -0.047 0.000 1.108 315 D HN 0.903 nan 8.370 nan 0.000 0.421 316 D N 0.263 120.631 120.400 -0.054 0.000 2.380 316 D HA 0.225 4.865 4.640 -0.000 0.000 0.230 316 D C 1.470 177.778 176.300 0.013 0.000 1.154 316 D CA -0.277 53.717 54.000 -0.010 0.000 0.859 316 D CB 0.336 41.143 40.800 0.011 0.000 1.045 316 D HN 0.131 nan 8.370 nan 0.000 0.495 317 L N 2.625 123.865 121.223 0.029 0.000 2.353 317 L HA -0.102 4.238 4.340 -0.000 0.000 0.220 317 L C 2.267 179.205 176.870 0.113 0.000 1.133 317 L CA 1.285 56.179 54.840 0.090 0.000 0.798 317 L CB -0.387 41.720 42.059 0.080 0.000 0.922 317 L HN 0.488 nan 8.230 nan 0.000 0.445 318 T N -4.672 109.919 114.554 0.061 0.000 3.129 318 T HA -0.053 4.297 4.350 -0.000 0.000 0.251 318 T C 0.783 175.538 174.700 0.091 0.000 1.117 318 T CA -0.411 61.726 62.100 0.061 0.000 1.034 318 T CB -0.331 68.552 68.868 0.025 0.000 0.968 318 T HN 0.194 nan 8.240 nan 0.000 0.526 319 D N 2.742 123.206 120.400 0.107 0.000 2.488 319 D HA 0.025 4.665 4.640 -0.000 0.000 0.238 319 D C -1.411 174.967 176.300 0.130 0.000 1.138 319 D CA -1.436 52.654 54.000 0.149 0.000 0.873 319 D CB 1.524 42.419 40.800 0.160 0.000 1.183 319 D HN 0.020 nan 8.370 nan 0.000 0.458 320 P HA -0.218 nan 4.420 nan 0.000 0.218 320 P C 0.854 178.075 177.300 -0.132 0.000 1.154 320 P CA 2.143 65.209 63.100 -0.056 0.000 0.872 320 P CB 0.095 31.701 31.700 -0.158 0.000 0.790 321 A N 0.133 122.833 122.820 -0.199 0.000 1.828 321 A HA -0.116 4.204 4.320 -0.000 0.000 0.215 321 A C -0.021 177.652 177.584 0.147 0.000 1.203 321 A CA 2.375 54.398 52.037 -0.024 0.000 0.614 321 A CB -2.250 16.922 19.000 0.287 0.000 0.844 321 A HN 0.195 nan 8.150 nan 0.000 0.445 322 P HA -0.202 nan 4.420 nan 0.000 0.216 322 P C 1.600 179.067 177.300 0.279 0.000 1.153 322 P CA 2.263 65.501 63.100 0.230 0.000 0.858 322 P CB -0.258 31.585 31.700 0.237 0.000 0.789 323 A N -0.161 122.834 122.820 0.292 0.000 1.877 323 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 323 A C 2.283 180.090 177.584 0.371 0.000 1.186 323 A CA 2.538 54.808 52.037 0.388 0.000 0.620 323 A CB -1.910 17.206 19.000 0.195 0.000 0.822 323 A HN 0.236 nan 8.150 nan 0.000 0.443 324 T N -0.308 114.381 114.554 0.225 0.000 3.035 324 T HA -0.045 4.305 4.350 -0.000 0.000 0.268 324 T C 1.740 176.613 174.700 0.287 0.000 1.109 324 T CA 1.566 63.788 62.100 0.203 0.000 1.119 324 T CB -0.327 68.619 68.868 0.129 0.000 0.900 324 T HN 0.552 nan 8.240 nan 0.000 0.503 325 T N 1.671 116.387 114.554 0.269 0.000 2.904 325 T HA 0.063 4.413 4.350 -0.000 0.000 0.267 325 T C 1.468 176.354 174.700 0.311 0.000 1.059 325 T CA 0.560 62.817 62.100 0.263 0.000 1.137 325 T CB -0.437 68.470 68.868 0.065 0.000 0.879 325 T HN 0.302 nan 8.240 nan 0.000 0.467 326 F N 2.260 122.398 119.950 0.315 0.000 2.063 326 F HA -0.155 4.371 4.527 -0.000 0.000 0.298 326 F C 2.731 178.597 175.800 0.111 0.000 1.109 326 F CA 1.245 59.384 58.000 0.232 0.000 1.212 326 F CB -0.895 38.129 39.000 0.040 0.000 0.973 326 F HN 0.141 nan 8.300 nan 0.000 0.480 327 A N -1.388 121.553 122.820 0.201 0.000 2.131 327 A HA -0.197 4.123 4.320 -0.000 0.000 0.220 327 A C 1.678 179.198 177.584 -0.106 0.000 1.158 327 A CA 1.452 53.486 52.037 -0.005 0.000 0.665 327 A CB -1.025 17.900 19.000 -0.125 0.000 0.795 327 A HN 0.522 nan 8.150 nan 0.000 0.460 328 H N -0.983 118.147 119.070 0.100 0.000 2.547 328 H HA 0.274 4.830 4.556 -0.000 0.000 0.266 328 H C 0.123 175.471 175.328 0.033 0.000 0.988 328 H CA 0.331 56.406 56.048 0.046 0.000 1.147 328 H CB -0.043 29.725 29.762 0.011 0.000 1.365 328 H HN 0.376 nan 8.280 nan 0.000 0.589 329 L N -0.089 121.219 121.223 0.142 0.000 2.332 329 L HA 0.221 4.561 4.340 -0.000 0.000 0.269 329 L C 0.870 177.790 176.870 0.084 0.000 1.016 329 L CA -0.596 54.307 54.840 0.105 0.000 0.809 329 L CB 1.571 43.718 42.059 0.147 0.000 1.280 329 L HN -0.109 nan 8.230 nan 0.000 0.447 330 D N 0.277 120.710 120.400 0.054 0.000 2.422 330 D HA 0.235 4.875 4.640 -0.000 0.000 0.218 330 D C 0.097 176.443 176.300 0.077 0.000 1.047 330 D CA 0.527 54.559 54.000 0.053 0.000 0.885 330 D CB 1.279 42.096 40.800 0.029 0.000 1.035 330 D HN 0.512 nan 8.370 nan 0.000 0.502 331 A N 0.703 123.568 122.820 0.076 0.000 2.455 331 A HA 0.573 4.893 4.320 -0.000 0.000 0.300 331 A C -0.532 177.139 177.584 0.145 0.000 1.040 331 A CA -0.585 51.529 52.037 0.127 0.000 0.697 331 A CB 1.505 20.611 19.000 0.176 0.000 1.265 331 A HN -0.031 nan 8.150 nan 0.000 0.407 332 T N -0.541 114.148 114.554 0.226 0.000 2.824 332 T HA 0.708 5.058 4.350 -0.000 0.000 0.282 332 T C -0.435 174.450 174.700 0.308 0.000 0.993 332 T CA -0.526 61.766 62.100 0.320 0.000 0.967 332 T CB 1.410 70.502 68.868 0.373 0.000 0.960 332 T HN 0.467 nan 8.240 nan 0.000 0.441 333 T N 2.952 117.709 114.554 0.338 0.000 2.772 333 T HA 0.519 4.869 4.350 -0.000 0.000 0.288 333 T C -0.291 174.594 174.700 0.309 0.000 0.994 333 T CA -0.537 61.744 62.100 0.302 0.000 0.951 333 T CB 1.013 70.078 68.868 0.328 0.000 0.933 333 T HN 0.618 nan 8.240 nan 0.000 0.447 334 V N 5.400 125.456 119.914 0.236 0.000 2.370 334 V HA 0.397 4.517 4.120 -0.000 0.000 0.283 334 V C -0.433 175.755 176.094 0.157 0.000 1.023 334 V CA -0.888 61.542 62.300 0.216 0.000 0.857 334 V CB 1.218 33.116 31.823 0.125 0.000 0.985 334 V HN 0.610 nan 8.190 nan 0.000 0.443 335 L N 4.041 125.362 121.223 0.163 0.000 2.357 335 L HA 0.593 4.933 4.340 -0.000 0.000 0.273 335 L C 0.406 177.324 176.870 0.079 0.000 1.080 335 L CA 0.471 55.382 54.840 0.118 0.000 0.803 335 L CB 1.598 43.737 42.059 0.132 0.000 1.174 335 L HN 0.713 nan 8.230 nan 0.000 0.443 336 S N 2.153 117.882 115.700 0.048 0.000 2.502 336 S HA 0.430 4.900 4.470 -0.000 0.000 0.304 336 S C 0.941 175.545 174.600 0.006 0.000 1.097 336 S CA -0.698 57.515 58.200 0.022 0.000 1.045 336 S CB 1.109 64.313 63.200 0.008 0.000 1.019 336 S HN 0.696 nan 8.310 nan 0.000 0.481 337 R N 3.338 123.842 120.500 0.007 0.000 2.096 337 R HA -0.060 4.280 4.340 -0.000 0.000 0.235 337 R C 2.128 178.416 176.300 -0.020 0.000 1.127 337 R CA 1.787 57.889 56.100 0.002 0.000 0.968 337 R CB -0.716 29.588 30.300 0.008 0.000 0.861 337 R HN 0.807 nan 8.270 nan 0.000 0.440 338 A N 1.185 123.993 122.820 -0.020 0.000 1.883 338 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 338 A C 2.142 179.698 177.584 -0.047 0.000 1.186 338 A CA 1.600 53.621 52.037 -0.027 0.000 0.624 338 A CB -0.542 18.447 19.000 -0.020 0.000 0.822 338 A HN 0.365 nan 8.150 nan 0.000 0.444 339 I N -0.368 120.170 120.570 -0.053 0.000 2.252 339 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 339 I C 2.978 178.988 176.117 -0.179 0.000 1.102 339 I CA 0.988 62.237 61.300 -0.084 0.000 1.385 339 I CB -0.413 37.551 38.000 -0.059 0.000 1.064 339 I HN 0.363 nan 8.210 nan 0.000 0.414 340 A N 0.511 123.214 122.820 -0.195 0.000 1.908 340 A HA -0.291 4.029 4.320 -0.000 0.000 0.218 340 A C 2.298 179.720 177.584 -0.270 0.000 1.181 340 A CA 2.060 53.874 52.037 -0.371 0.000 0.627 340 A CB -0.721 18.195 19.000 -0.139 0.000 0.818 340 A HN 0.528 nan 8.150 nan 0.000 0.445 341 E N -0.054 120.076 120.200 -0.117 0.000 2.209 341 E HA -0.154 4.196 4.350 -0.000 0.000 0.196 341 E C 1.495 178.052 176.600 -0.071 0.000 0.993 341 E CA 1.008 57.373 56.400 -0.059 0.000 0.819 341 E CB -0.218 29.463 29.700 -0.033 0.000 0.745 341 E HN 0.661 nan 8.360 nan 0.000 0.477 342 L N -0.694 120.467 121.223 -0.104 0.000 2.599 342 L HA 0.166 4.506 4.340 -0.000 0.000 0.230 342 L C 1.537 178.336 176.870 -0.118 0.000 1.141 342 L CA 0.468 55.251 54.840 -0.096 0.000 0.877 342 L CB -0.082 41.928 42.059 -0.081 0.000 1.009 342 L HN 0.440 nan 8.230 nan 0.000 0.447 343 G N 0.503 109.206 108.800 -0.161 0.000 2.159 343 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.256 343 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.256 343 G C 0.225 175.072 174.900 -0.087 0.000 0.977 343 G CA -0.424 44.622 45.100 -0.090 0.000 0.652 343 G HN 0.163 nan 8.290 nan 0.000 0.531 344 I N 1.357 121.796 120.570 -0.218 0.000 2.347 344 I HA 0.390 4.560 4.170 -0.000 0.000 0.294 344 I C -0.050 175.857 176.117 -0.349 0.000 1.090 344 I CA -0.736 60.498 61.300 -0.110 0.000 1.314 344 I CB -0.757 37.205 38.000 -0.063 0.000 1.423 344 I HN 0.058 nan 8.210 nan 0.000 0.503 345 Y N 7.607 127.874 120.300 -0.054 0.000 2.409 345 Y HA 0.457 5.007 4.550 -0.000 0.000 0.343 345 Y C -2.022 173.672 175.900 -0.342 0.000 0.973 345 Y CA -2.795 55.197 58.100 -0.181 0.000 1.064 345 Y CB 1.728 40.064 38.460 -0.206 0.000 1.207 345 Y HN 0.407 nan 8.280 nan 0.000 0.452 346 P HA 0.129 nan 4.420 nan 0.000 0.275 346 P C -0.455 176.860 177.300 0.026 0.000 1.228 346 P CA -0.254 62.823 63.100 -0.037 0.000 0.786 346 P CB 1.138 32.844 31.700 0.009 0.000 0.927 347 A N 3.456 126.319 122.820 0.072 0.000 2.810 347 A HA 0.192 4.512 4.320 -0.000 0.000 0.247 347 A C 0.557 178.162 177.584 0.034 0.000 1.576 347 A CA -0.242 51.783 52.037 -0.019 0.000 1.294 347 A CB -1.264 17.703 19.000 -0.054 0.000 0.976 347 A HN 0.378 nan 8.150 nan 0.000 0.631 348 V N 1.126 121.070 119.914 0.050 0.000 2.572 348 V HA 0.037 4.157 4.120 -0.000 0.000 0.291 348 V C 0.362 176.480 176.094 0.041 0.000 1.039 348 V CA -0.294 62.047 62.300 0.069 0.000 1.055 348 V CB 1.167 33.039 31.823 0.082 0.000 0.969 348 V HN 0.580 nan 8.190 nan 0.000 0.482 349 D N 7.163 127.591 120.400 0.048 0.000 2.365 349 D HA 0.245 4.885 4.640 -0.000 0.000 0.237 349 D C -1.603 174.709 176.300 0.021 0.000 1.190 349 D CA -2.085 51.932 54.000 0.028 0.000 0.867 349 D CB 1.931 42.747 40.800 0.027 0.000 1.050 349 D HN 0.235 nan 8.370 nan 0.000 0.491 350 P HA -0.031 nan 4.420 nan 0.000 0.225 350 P C 0.894 178.185 177.300 -0.016 0.000 1.148 350 P CA 0.759 63.850 63.100 -0.014 0.000 0.779 350 P CB 0.248 31.931 31.700 -0.028 0.000 0.780 351 L N -1.305 119.914 121.223 -0.008 0.000 2.872 351 L HA 0.287 4.627 4.340 -0.000 0.000 0.245 351 L C 0.747 177.605 176.870 -0.020 0.000 1.211 351 L CA 0.343 55.173 54.840 -0.016 0.000 1.013 351 L CB -0.030 42.020 42.059 -0.014 0.000 1.326 351 L HN -0.159 nan 8.230 nan 0.000 0.525 352 D N -1.129 119.266 120.400 -0.008 0.000 2.640 352 D HA 0.083 4.723 4.640 -0.000 0.000 0.282 352 D C -0.268 176.044 176.300 0.019 0.000 1.558 352 D CA 0.165 54.156 54.000 -0.015 0.000 0.820 352 D CB 0.800 41.587 40.800 -0.021 0.000 1.243 352 D HN -0.094 nan 8.370 nan 0.000 0.456 353 S N 0.025 115.750 115.700 0.041 0.000 2.454 353 S HA 0.734 5.204 4.470 -0.000 0.000 0.306 353 S C -0.008 174.637 174.600 0.074 0.000 1.100 353 S CA -0.560 57.693 58.200 0.088 0.000 1.087 353 S CB 1.830 65.089 63.200 0.099 0.000 1.019 353 S HN 0.279 nan 8.310 nan 0.000 0.480 354 T N -1.002 113.615 114.554 0.104 0.000 2.865 354 T HA 0.823 5.173 4.350 -0.000 0.000 0.294 354 T C -0.755 174.012 174.700 0.113 0.000 1.119 354 T CA -0.899 61.250 62.100 0.081 0.000 1.007 354 T CB 1.865 70.766 68.868 0.055 0.000 1.225 354 T HN 0.449 nan 8.240 nan 0.000 0.515 355 S N -0.906 114.849 115.700 0.090 0.000 2.603 355 S HA 0.367 4.837 4.470 -0.000 0.000 0.274 355 S C 0.776 175.419 174.600 0.073 0.000 1.168 355 S CA -0.728 57.532 58.200 0.101 0.000 0.963 355 S CB 1.765 65.029 63.200 0.107 0.000 1.078 355 S HN 0.970 nan 8.310 nan 0.000 0.477 356 R N 3.109 123.650 120.500 0.069 0.000 2.139 356 R HA -0.106 4.234 4.340 -0.000 0.000 0.243 356 R C 1.679 178.002 176.300 0.039 0.000 1.145 356 R CA 2.565 58.695 56.100 0.049 0.000 0.976 356 R CB -0.572 29.754 30.300 0.045 0.000 0.866 356 R HN 0.848 nan 8.270 nan 0.000 0.449 357 I N -2.017 118.579 120.570 0.043 0.000 3.564 357 I HA 0.108 4.278 4.170 -0.000 0.000 0.294 357 I C 0.577 176.701 176.117 0.012 0.000 1.289 357 I CA 0.041 61.357 61.300 0.027 0.000 1.325 357 I CB 0.119 38.140 38.000 0.035 0.000 1.039 357 I HN 0.022 nan 8.210 nan 0.000 0.474 358 M N 3.163 122.782 119.600 0.031 0.000 3.596 358 M HA 0.204 4.684 4.480 -0.000 0.000 0.212 358 M C -0.640 175.743 176.300 0.139 0.000 1.519 358 M CA 0.441 55.775 55.300 0.057 0.000 1.670 358 M CB -1.633 31.007 32.600 0.067 0.000 1.113 358 M HN 0.322 nan 8.290 nan 0.000 0.565 359 D N 2.182 122.591 120.400 0.015 0.000 2.780 359 D HA 0.384 5.024 4.640 -0.000 0.000 0.242 359 D C -2.171 173.991 176.300 -0.231 0.000 1.135 359 D CA -1.564 52.334 54.000 -0.171 0.000 0.859 359 D CB 2.653 43.387 40.800 -0.110 0.000 1.530 359 D HN 0.062 nan 8.370 nan 0.000 0.493 360 P HA -0.140 nan 4.420 nan 0.000 0.217 360 P C 0.639 177.864 177.300 -0.124 0.000 1.148 360 P CA 0.975 63.903 63.100 -0.287 0.000 0.828 360 P CB 0.410 31.887 31.700 -0.372 0.000 0.783 361 N N -0.975 117.647 118.700 -0.131 0.000 2.515 361 N HA 0.047 4.787 4.740 -0.000 0.000 0.185 361 N C 1.712 177.201 175.510 -0.037 0.000 1.109 361 N CA 0.633 53.642 53.050 -0.068 0.000 0.903 361 N CB -0.017 38.429 38.487 -0.068 0.000 0.969 361 N HN 0.332 nan 8.380 nan 0.000 0.450 362 I N -0.649 119.899 120.570 -0.036 0.000 3.523 362 I HA -0.037 4.133 4.170 -0.000 0.000 0.244 362 I C 1.823 177.951 176.117 0.019 0.000 1.110 362 I CA 0.188 61.484 61.300 -0.006 0.000 1.517 362 I CB -0.178 37.818 38.000 -0.007 0.000 1.505 362 I HN -0.139 nan 8.210 nan 0.000 0.460 363 V N -0.308 119.613 119.914 0.012 0.000 3.461 363 V HA 0.469 4.589 4.120 -0.000 0.000 0.267 363 V C 0.861 177.035 176.094 0.133 0.000 1.186 363 V CA 0.343 62.682 62.300 0.065 0.000 1.154 363 V CB -1.368 30.383 31.823 -0.121 0.000 0.802 363 V HN 0.616 nan 8.190 nan 0.000 0.474 364 G N 0.565 109.412 108.800 0.079 0.000 2.707 364 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.686 364 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.686 364 G C 0.451 175.428 174.900 0.128 0.000 1.315 364 G CA 0.369 45.526 45.100 0.093 0.000 0.832 364 G HN 1.389 nan 8.290 nan 0.000 0.573 365 S N -0.461 115.302 115.700 0.105 0.000 2.348 365 S HA -0.125 4.345 4.470 -0.000 0.000 0.221 365 S C 1.945 176.651 174.600 0.177 0.000 1.033 365 S CA 2.124 60.402 58.200 0.130 0.000 1.010 365 S CB -0.350 62.900 63.200 0.083 0.000 0.891 365 S HN 1.122 nan 8.310 nan 0.000 0.442 366 E N 0.646 120.936 120.200 0.149 0.000 2.058 366 E HA -0.291 4.059 4.350 -0.000 0.000 0.194 366 E C 2.095 178.812 176.600 0.194 0.000 0.997 366 E CA 1.453 57.938 56.400 0.142 0.000 0.801 366 E CB -0.522 29.242 29.700 0.107 0.000 0.746 366 E HN 0.859 nan 8.360 nan 0.000 0.450 367 H N -1.559 117.569 119.070 0.096 0.000 2.289 367 H HA -0.238 4.318 4.556 -0.000 0.000 0.296 367 H C 2.143 177.524 175.328 0.089 0.000 1.091 367 H CA 1.757 57.857 56.048 0.087 0.000 1.274 367 H CB -0.177 29.638 29.762 0.089 0.000 1.364 367 H HN 0.310 nan 8.280 nan 0.000 0.490 368 Y N 1.625 121.994 120.300 0.114 0.000 2.128 368 Y HA -0.250 4.300 4.550 -0.000 0.000 0.284 368 Y C 2.008 177.930 175.900 0.037 0.000 1.154 368 Y CA 2.013 60.116 58.100 0.004 0.000 1.149 368 Y CB -0.311 38.137 38.460 -0.020 0.000 0.976 368 Y HN 0.347 nan 8.280 nan 0.000 0.505 369 D N -0.607 119.866 120.400 0.121 0.000 2.117 369 D HA -0.174 4.466 4.640 -0.000 0.000 0.198 369 D C 2.452 178.738 176.300 -0.023 0.000 0.982 369 D CA 1.642 55.659 54.000 0.029 0.000 0.828 369 D CB -0.648 40.215 40.800 0.105 0.000 0.967 369 D HN 0.304 nan 8.370 nan 0.000 0.464 370 V N 1.653 121.591 119.914 0.041 0.000 2.255 370 V HA -0.288 3.832 4.120 -0.000 0.000 0.247 370 V C 2.576 178.659 176.094 -0.019 0.000 1.051 370 V CA 2.047 64.374 62.300 0.046 0.000 1.018 370 V CB -0.999 30.885 31.823 0.103 0.000 0.641 370 V HN 0.207 nan 8.190 nan 0.000 0.445 371 A N -0.092 122.707 122.820 -0.035 0.000 1.873 371 A HA -0.254 4.066 4.320 -0.000 0.000 0.218 371 A C 2.315 179.791 177.584 -0.181 0.000 1.193 371 A CA 1.955 53.926 52.037 -0.110 0.000 0.629 371 A CB -0.543 18.401 19.000 -0.094 0.000 0.826 371 A HN 0.413 nan 8.150 nan 0.000 0.447 372 R N -0.670 119.661 120.500 -0.283 0.000 2.115 372 R HA -0.086 4.254 4.340 -0.000 0.000 0.230 372 R C 2.314 178.534 176.300 -0.133 0.000 1.111 372 R CA 1.187 57.131 56.100 -0.259 0.000 0.976 372 R CB -1.491 28.579 30.300 -0.382 0.000 0.870 372 R HN 0.561 nan 8.270 nan 0.000 0.445 373 G N 0.031 108.774 108.800 -0.095 0.000 2.422 373 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.218 373 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.218 373 G C 1.521 176.405 174.900 -0.028 0.000 1.140 373 G CA 0.518 45.595 45.100 -0.038 0.000 0.775 373 G HN 0.174 nan 8.290 nan 0.000 0.545 374 V N 0.274 120.159 119.914 -0.048 0.000 2.379 374 V HA -0.173 3.947 4.120 -0.000 0.000 0.245 374 V C 2.870 178.934 176.094 -0.049 0.000 1.044 374 V CA 1.932 64.205 62.300 -0.046 0.000 1.036 374 V CB -0.418 31.327 31.823 -0.130 0.000 0.664 374 V HN 0.405 nan 8.190 nan 0.000 0.453 375 Q N -0.009 119.749 119.800 -0.071 0.000 2.050 375 Q HA -0.277 4.063 4.340 -0.000 0.000 0.202 375 Q C 2.338 178.322 176.000 -0.028 0.000 0.980 375 Q CA 1.961 57.732 55.803 -0.054 0.000 0.840 375 Q CB -0.276 28.418 28.738 -0.073 0.000 0.898 375 Q HN 0.559 nan 8.270 nan 0.000 0.424 376 K N 0.968 121.349 120.400 -0.031 0.000 2.020 376 K HA -0.192 4.128 4.320 -0.000 0.000 0.212 376 K C 1.976 178.581 176.600 0.008 0.000 1.050 376 K CA 1.385 57.664 56.287 -0.013 0.000 0.929 376 K CB -0.224 32.266 32.500 -0.016 0.000 0.714 376 K HN 0.200 nan 8.250 nan 0.000 0.443 377 I N 0.804 121.380 120.570 0.009 0.000 2.394 377 I HA -0.234 3.936 4.170 -0.000 0.000 0.251 377 I C 1.778 177.927 176.117 0.053 0.000 1.136 377 I CA 0.845 62.160 61.300 0.024 0.000 1.425 377 I CB 0.132 38.138 38.000 0.010 0.000 1.079 377 I HN 0.247 nan 8.210 nan 0.000 0.425 378 L N 0.008 121.257 121.223 0.043 0.000 2.056 378 L HA -0.214 4.126 4.340 -0.000 0.000 0.207 378 L C 2.561 179.493 176.870 0.104 0.000 1.078 378 L CA 1.123 56.011 54.840 0.081 0.000 0.749 378 L CB -0.631 41.454 42.059 0.042 0.000 0.901 378 L HN 0.279 nan 8.230 nan 0.000 0.433 379 Q N 0.358 120.188 119.800 0.050 0.000 2.119 379 Q HA -0.198 4.142 4.340 -0.000 0.000 0.201 379 Q C 1.676 177.698 176.000 0.037 0.000 0.972 379 Q CA 1.705 57.526 55.803 0.031 0.000 0.847 379 Q CB -0.084 28.657 28.738 0.005 0.000 0.903 379 Q HN 0.362 nan 8.270 nan 0.000 0.433 380 D N -0.732 119.698 120.400 0.051 0.000 2.087 380 D HA -0.200 4.440 4.640 -0.000 0.000 0.192 380 D C 1.604 177.953 176.300 0.082 0.000 0.993 380 D CA 1.529 55.560 54.000 0.052 0.000 0.828 380 D CB -0.705 40.126 40.800 0.052 0.000 0.968 380 D HN 0.348 nan 8.370 nan 0.000 0.448 381 Y N 1.858 122.149 120.300 -0.014 0.000 2.069 381 Y HA -0.305 4.245 4.550 0.000 0.000 0.278 381 Y C 2.289 178.180 175.900 -0.015 0.000 1.175 381 Y CA 2.205 60.296 58.100 -0.014 0.000 1.134 381 Y CB -0.340 38.111 38.460 -0.014 0.000 0.965 381 Y HN -0.131 nan 8.280 nan 0.000 0.498 382 K N -0.517 119.845 120.400 -0.064 0.000 2.160 382 K HA -0.186 4.134 4.320 -0.000 0.000 0.206 382 K C 2.111 178.604 176.600 -0.178 0.000 1.047 382 K CA 1.820 58.002 56.287 -0.174 0.000 0.930 382 K CB -0.268 32.207 32.500 -0.042 0.000 0.720 382 K HN 0.350 nan 8.250 nan 0.000 0.450 383 S N 0.500 116.136 115.700 -0.107 0.000 2.414 383 S HA 0.022 4.492 4.470 -0.000 0.000 0.227 383 S C 1.674 176.213 174.600 -0.101 0.000 1.022 383 S CA 0.654 58.803 58.200 -0.084 0.000 0.958 383 S CB -0.003 63.171 63.200 -0.043 0.000 0.797 383 S HN 0.245 nan 8.310 nan 0.000 0.493 384 L N 1.340 122.492 121.223 -0.119 0.000 2.240 384 L HA -0.046 4.294 4.340 -0.000 0.000 0.211 384 L C 2.498 179.270 176.870 -0.162 0.000 1.106 384 L CA 0.599 55.377 54.840 -0.103 0.000 0.793 384 L CB -0.468 41.563 42.059 -0.047 0.000 0.927 384 L HN 0.314 nan 8.230 nan 0.000 0.446 385 Q N 0.446 120.062 119.800 -0.306 0.000 1.906 385 Q HA -0.304 4.036 4.340 -0.000 0.000 0.221 385 Q C 1.753 177.654 176.000 -0.166 0.000 1.021 385 Q CA 2.304 57.911 55.803 -0.326 0.000 0.880 385 Q CB -0.409 28.075 28.738 -0.422 0.000 0.966 385 Q HN 0.515 nan 8.270 nan 0.000 0.418 386 D N 0.197 120.514 120.400 -0.138 0.000 2.172 386 D HA -0.198 4.442 4.640 -0.000 0.000 0.196 386 D C 1.949 178.209 176.300 -0.065 0.000 0.999 386 D CA 1.294 55.242 54.000 -0.087 0.000 0.856 386 D CB -0.242 40.512 40.800 -0.077 0.000 0.934 386 D HN 0.337 nan 8.370 nan 0.000 0.453 387 I N 1.361 121.891 120.570 -0.066 0.000 2.193 387 I HA -0.186 3.984 4.170 -0.000 0.000 0.240 387 I C 2.740 178.834 176.117 -0.037 0.000 1.084 387 I CA 0.787 62.060 61.300 -0.045 0.000 1.365 387 I CB -0.336 37.640 38.000 -0.041 0.000 1.064 387 I HN -0.003 nan 8.210 nan 0.000 0.410 388 I N -0.627 119.918 120.570 -0.041 0.000 2.830 388 I HA -0.013 4.157 4.170 -0.000 0.000 0.263 388 I C 2.476 178.580 176.117 -0.021 0.000 1.230 388 I CA 1.112 62.398 61.300 -0.024 0.000 1.480 388 I CB -0.402 37.589 38.000 -0.014 0.000 1.095 388 I HN 0.025 nan 8.210 nan 0.000 0.455 389 A N 1.377 124.176 122.820 -0.034 0.000 2.015 389 A HA 0.006 4.326 4.320 -0.000 0.000 0.219 389 A C 2.028 179.600 177.584 -0.020 0.000 1.163 389 A CA 1.487 53.508 52.037 -0.027 0.000 0.646 389 A CB -0.484 18.494 19.000 -0.038 0.000 0.806 389 A HN 0.483 nan 8.150 nan 0.000 0.448 390 I N -0.985 119.572 120.570 -0.021 0.000 2.685 390 I HA 0.033 4.203 4.170 -0.000 0.000 0.251 390 I C 1.930 178.040 176.117 -0.012 0.000 1.102 390 I CA 0.787 62.078 61.300 -0.016 0.000 1.442 390 I CB -0.245 37.745 38.000 -0.018 0.000 1.194 390 I HN 0.159 nan 8.210 nan 0.000 0.448 391 L N 0.414 121.629 121.223 -0.013 0.000 2.552 391 L HA 0.257 4.597 4.340 -0.000 0.000 0.227 391 L C 0.669 177.536 176.870 -0.005 0.000 1.146 391 L CA 0.228 55.063 54.840 -0.009 0.000 0.858 391 L CB -1.157 40.896 42.059 -0.009 0.000 0.969 391 L HN 0.448 nan 8.230 nan 0.000 0.451 392 G N 0.224 109.021 108.800 -0.004 0.000 2.767 392 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.686 392 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.686 392 G C 0.112 175.014 174.900 0.004 0.000 1.213 392 G CA 0.036 45.136 45.100 0.000 0.000 0.803 392 G HN 0.158 nan 8.290 nan 0.000 0.603 393 M N 0.654 120.260 119.600 0.009 0.000 2.476 393 M HA 0.024 4.504 4.480 -0.000 0.000 0.262 393 M C 1.764 178.072 176.300 0.014 0.000 1.079 393 M CA 2.042 57.351 55.300 0.015 0.000 1.104 393 M CB -0.148 32.466 32.600 0.024 0.000 1.409 393 M HN 0.584 nan 8.290 nan 0.000 0.467 394 D N 0.846 121.252 120.400 0.010 0.000 2.265 394 D HA -0.162 4.478 4.640 -0.000 0.000 0.208 394 D C 1.558 177.863 176.300 0.008 0.000 0.977 394 D CA 0.982 54.988 54.000 0.009 0.000 0.871 394 D CB -0.154 40.650 40.800 0.007 0.000 0.925 394 D HN 0.490 nan 8.370 nan 0.000 0.485 395 E N 0.094 120.298 120.200 0.007 0.000 2.427 395 E HA 0.049 4.399 4.350 -0.000 0.000 0.196 395 E C 0.836 177.440 176.600 0.007 0.000 1.028 395 E CA -0.072 56.331 56.400 0.005 0.000 0.864 395 E CB 0.245 29.946 29.700 0.002 0.000 0.813 395 E HN 0.373 nan 8.360 nan 0.000 0.514 396 L N 2.249 123.478 121.223 0.011 0.000 2.416 396 L HA 0.040 4.380 4.340 -0.000 0.000 0.272 396 L C 0.865 177.744 176.870 0.014 0.000 1.161 396 L CA -0.263 54.586 54.840 0.015 0.000 0.845 396 L CB 0.658 42.730 42.059 0.022 0.000 1.119 396 L HN -0.010 nan 8.230 nan 0.000 0.464 397 S N 1.684 117.391 115.700 0.013 0.000 2.614 397 S HA 0.120 4.590 4.470 -0.000 0.000 0.265 397 S C 0.918 175.526 174.600 0.013 0.000 1.303 397 S CA -0.899 57.308 58.200 0.011 0.000 1.000 397 S CB 1.351 64.557 63.200 0.010 0.000 0.935 397 S HN 0.544 nan 8.310 nan 0.000 0.551 398 E N 1.437 121.644 120.200 0.012 0.000 2.065 398 E HA -0.194 4.156 4.350 -0.000 0.000 0.201 398 E C 1.972 178.579 176.600 0.013 0.000 1.016 398 E CA 1.614 58.021 56.400 0.012 0.000 0.818 398 E CB -0.456 29.250 29.700 0.010 0.000 0.749 398 E HN 0.724 nan 8.360 nan 0.000 0.453 399 E N 0.884 121.090 120.200 0.011 0.000 2.085 399 E HA -0.179 4.171 4.350 -0.000 0.000 0.194 399 E C 1.864 178.473 176.600 0.015 0.000 0.994 399 E CA 1.207 57.613 56.400 0.011 0.000 0.801 399 E CB -0.406 29.300 29.700 0.010 0.000 0.743 399 E HN 0.325 nan 8.360 nan 0.000 0.453 400 D N 0.841 121.252 120.400 0.018 0.000 2.097 400 D HA -0.155 4.485 4.640 -0.000 0.000 0.195 400 D C 1.874 178.193 176.300 0.032 0.000 0.989 400 D CA 1.738 55.753 54.000 0.025 0.000 0.827 400 D CB -0.184 40.631 40.800 0.025 0.000 0.966 400 D HN 0.295 nan 8.370 nan 0.000 0.456 401 K N 0.257 120.673 120.400 0.027 0.000 2.515 401 K HA -0.051 4.269 4.320 -0.000 0.000 0.196 401 K C 1.602 178.213 176.600 0.017 0.000 1.038 401 K CA 0.485 56.789 56.287 0.029 0.000 0.967 401 K CB 0.011 32.526 32.500 0.025 0.000 0.780 401 K HN 0.121 nan 8.250 nan 0.000 0.483 402 L N 2.388 123.619 121.223 0.013 0.000 2.127 402 L HA -0.054 4.286 4.340 -0.000 0.000 0.203 402 L C 2.495 179.360 176.870 -0.008 0.000 1.080 402 L CA 2.117 56.959 54.840 0.003 0.000 0.768 402 L CB -0.613 41.450 42.059 0.006 0.000 0.924 402 L HN 0.449 nan 8.230 nan 0.000 0.444 403 T N -3.865 110.691 114.554 0.003 0.000 2.951 403 T HA -0.083 4.267 4.350 -0.000 0.000 0.268 403 T C 1.836 176.525 174.700 -0.018 0.000 1.073 403 T CA 1.339 63.438 62.100 -0.002 0.000 1.134 403 T CB -0.675 68.204 68.868 0.018 0.000 0.884 403 T HN 0.079 nan 8.240 nan 0.000 0.479 404 V N 1.499 121.419 119.914 0.010 0.000 2.358 404 V HA -0.119 4.001 4.120 -0.000 0.000 0.246 404 V C 3.103 179.121 176.094 -0.128 0.000 1.047 404 V CA 1.986 64.290 62.300 0.006 0.000 1.035 404 V CB -1.012 30.875 31.823 0.107 0.000 0.658 404 V HN 0.507 nan 8.190 nan 0.000 0.452 405 S N -0.265 115.388 115.700 -0.078 0.000 2.368 405 S HA -0.184 4.286 4.470 -0.000 0.000 0.225 405 S C 2.074 176.576 174.600 -0.162 0.000 1.030 405 S CA 1.612 59.753 58.200 -0.099 0.000 0.999 405 S CB -0.236 62.936 63.200 -0.047 0.000 0.844 405 S HN 0.588 nan 8.310 nan 0.000 0.459 406 R N 0.958 121.370 120.500 -0.146 0.000 2.153 406 R HA 0.186 4.526 4.340 -0.000 0.000 0.218 406 R C 2.430 178.609 176.300 -0.202 0.000 1.072 406 R CA 0.897 56.891 56.100 -0.175 0.000 0.990 406 R CB -0.332 29.906 30.300 -0.103 0.000 0.889 406 R HN 0.347 nan 8.270 nan 0.000 0.452 407 A N 1.954 124.638 122.820 -0.225 0.000 1.898 407 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 407 A C 2.072 179.436 177.584 -0.367 0.000 1.181 407 A CA 1.049 52.919 52.037 -0.279 0.000 0.620 407 A CB -0.270 18.516 19.000 -0.357 0.000 0.819 407 A HN 0.210 nan 8.150 nan 0.000 0.442 408 R N -0.044 120.179 120.500 -0.463 0.000 2.092 408 R HA -0.068 4.272 4.340 -0.000 0.000 0.231 408 R C 2.077 178.238 176.300 -0.231 0.000 1.119 408 R CA 1.415 57.299 56.100 -0.360 0.000 0.970 408 R CB -0.304 29.817 30.300 -0.299 0.000 0.864 408 R HN 0.495 nan 8.270 nan 0.000 0.440 409 K N 0.824 121.036 120.400 -0.314 0.000 2.057 409 K HA -0.060 4.260 4.320 -0.000 0.000 0.206 409 K C 2.135 178.526 176.600 -0.349 0.000 1.050 409 K CA 1.181 57.150 56.287 -0.530 0.000 0.935 409 K CB -0.148 31.722 32.500 -1.050 0.000 0.715 409 K HN 0.128 nan 8.250 nan 0.000 0.439 410 I N 1.522 121.981 120.570 -0.185 0.000 2.208 410 I HA -0.335 3.835 4.170 -0.000 0.000 0.245 410 I C 2.887 179.122 176.117 0.196 0.000 1.097 410 I CA 1.318 62.688 61.300 0.118 0.000 1.363 410 I CB -0.287 37.789 38.000 0.126 0.000 1.051 410 I HN 0.315 nan 8.210 nan 0.000 0.413 411 Q N 1.199 121.025 119.800 0.043 0.000 2.096 411 Q HA -0.253 4.087 4.340 -0.000 0.000 0.204 411 Q C 2.311 178.380 176.000 0.114 0.000 0.982 411 Q CA 1.793 57.629 55.803 0.055 0.000 0.850 411 Q CB 0.036 28.762 28.738 -0.019 0.000 0.901 411 Q HN 0.447 nan 8.270 nan 0.000 0.422 412 R N -0.826 119.751 120.500 0.128 0.000 2.093 412 R HA -0.052 4.288 4.340 -0.000 0.000 0.224 412 R C 2.034 178.505 176.300 0.286 0.000 1.101 412 R CA 1.019 57.263 56.100 0.240 0.000 0.979 412 R CB -0.268 30.196 30.300 0.273 0.000 0.877 412 R HN 0.228 nan 8.270 nan 0.000 0.441 413 F N 1.280 121.292 119.950 0.104 0.000 2.546 413 F HA -0.015 4.512 4.527 -0.000 0.000 0.298 413 F C 1.459 177.370 175.800 0.186 0.000 1.120 413 F CA 0.880 58.911 58.000 0.051 0.000 1.456 413 F CB 0.033 38.917 39.000 -0.193 0.000 1.088 413 F HN -0.064 nan 8.300 nan 0.000 0.572 414 L N -0.562 120.808 121.223 0.244 0.000 2.313 414 L HA -0.037 4.303 4.340 -0.000 0.000 0.214 414 L C 1.549 178.428 176.870 0.016 0.000 1.119 414 L CA 0.462 55.412 54.840 0.183 0.000 0.809 414 L CB -0.659 41.481 42.059 0.134 0.000 0.933 414 L HN 0.126 nan 8.230 nan 0.000 0.449 415 S N -0.386 115.316 115.700 0.003 0.000 2.614 415 S HA 0.344 4.814 4.470 -0.000 0.000 0.265 415 S C -0.332 174.166 174.600 -0.170 0.000 1.303 415 S CA -0.504 57.647 58.200 -0.083 0.000 1.000 415 S CB 1.795 64.961 63.200 -0.057 0.000 0.935 415 S HN 0.271 nan 8.310 nan 0.000 0.551 416 Q N 0.425 120.087 119.800 -0.230 0.000 2.403 416 Q HA 0.358 4.698 4.340 -0.000 0.000 0.267 416 Q C -3.156 172.696 176.000 -0.246 0.000 0.991 416 Q CA -1.803 53.882 55.803 -0.197 0.000 0.906 416 Q CB 2.230 30.924 28.738 -0.074 0.000 1.422 416 Q HN 0.555 nan 8.270 nan 0.000 0.400 417 P HA 0.168 nan 4.420 nan 0.000 0.276 417 P C -0.997 176.400 177.300 0.162 0.000 1.264 417 P CA -0.016 63.043 63.100 -0.069 0.000 0.769 417 P CB 0.114 31.790 31.700 -0.039 0.000 0.840 418 F N 2.146 122.098 119.950 0.003 0.000 2.384 418 F HA 0.227 4.754 4.527 -0.000 0.000 0.338 418 F C 2.146 177.957 175.800 0.018 0.000 1.103 418 F CA -0.954 57.056 58.000 0.017 0.000 1.157 418 F CB 0.850 39.871 39.000 0.035 0.000 1.167 418 F HN 0.437 nan 8.300 nan 0.000 0.529 419 Q N 1.704 121.598 119.800 0.156 0.000 2.096 419 Q HA -0.120 4.220 4.340 -0.000 0.000 0.204 419 Q C 1.570 177.603 176.000 0.056 0.000 0.982 419 Q CA 1.659 57.503 55.803 0.068 0.000 0.850 419 Q CB 0.067 28.813 28.738 0.013 0.000 0.901 419 Q HN 0.556 nan 8.270 nan 0.000 0.422 420 V N 0.275 120.229 119.914 0.066 0.000 2.970 420 V HA -0.097 4.023 4.120 -0.000 0.000 0.260 420 V C 1.543 177.713 176.094 0.128 0.000 1.100 420 V CA 1.394 63.732 62.300 0.064 0.000 1.122 420 V CB -0.031 31.818 31.823 0.043 0.000 0.721 420 V HN 0.451 nan 8.190 nan 0.000 0.483 421 A N -0.984 121.962 122.820 0.210 0.000 2.423 421 A HA 0.170 4.490 4.320 -0.000 0.000 0.246 421 A C 1.697 179.342 177.584 0.101 0.000 1.278 421 A CA -0.058 52.144 52.037 0.274 0.000 0.903 421 A CB -0.173 19.025 19.000 0.330 0.000 0.997 421 A HN 0.561 nan 8.150 nan 0.000 0.510 422 E N 0.336 120.546 120.200 0.017 0.000 2.118 422 E HA -0.180 4.170 4.350 -0.000 0.000 0.195 422 E C 1.776 178.313 176.600 -0.106 0.000 0.992 422 E CA 1.618 58.012 56.400 -0.010 0.000 0.804 422 E CB -0.488 29.205 29.700 -0.012 0.000 0.741 422 E HN 0.620 nan 8.360 nan 0.000 0.458 423 V N -1.269 118.465 119.914 -0.300 0.000 3.026 423 V HA -0.165 3.955 4.120 -0.000 0.000 0.265 423 V C 1.460 177.290 176.094 -0.439 0.000 1.121 423 V CA 1.362 63.403 62.300 -0.433 0.000 1.142 423 V CB -0.714 30.717 31.823 -0.653 0.000 0.730 423 V HN 0.078 nan 8.190 nan 0.000 0.503 424 F N 1.368 121.316 119.950 -0.003 0.000 2.557 424 F HA 0.160 4.687 4.527 -0.000 0.000 0.278 424 F C 2.636 178.440 175.800 0.007 0.000 1.051 424 F CA 0.964 58.952 58.000 -0.020 0.000 1.357 424 F CB -1.055 37.893 39.000 -0.088 0.000 1.104 424 F HN 0.188 nan 8.300 nan 0.000 0.654 425 T N -2.839 111.832 114.554 0.195 0.000 2.978 425 T HA 0.282 4.632 4.350 -0.000 0.000 0.262 425 T C 1.879 176.758 174.700 0.299 0.000 1.063 425 T CA 0.812 63.032 62.100 0.200 0.000 1.140 425 T CB -0.517 68.423 68.868 0.120 0.000 0.886 425 T HN 0.498 nan 8.240 nan 0.000 0.470 426 G N 1.219 110.119 108.800 0.166 0.000 2.160 426 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.251 426 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.251 426 G C -0.203 174.699 174.900 0.003 0.000 1.008 426 G CA 0.341 45.483 45.100 0.071 0.000 0.724 426 G HN 0.828 nan 8.290 nan 0.000 0.514 427 H N -1.939 117.131 119.070 0.000 0.000 2.797 427 H HA 0.672 5.228 4.556 -0.000 0.000 0.372 427 H C -0.146 175.180 175.328 -0.004 0.000 1.168 427 H CA -1.006 55.038 56.048 -0.006 0.000 1.163 427 H CB 1.498 31.249 29.762 -0.019 0.000 1.778 427 H HN 0.207 nan 8.280 nan 0.000 0.551 428 L N 1.808 123.099 121.223 0.113 0.000 2.319 428 L HA 0.374 4.714 4.340 -0.000 0.000 0.280 428 L C 0.891 177.811 176.870 0.083 0.000 1.099 428 L CA 0.144 55.025 54.840 0.068 0.000 0.828 428 L CB 0.120 42.200 42.059 0.036 0.000 1.150 428 L HN 0.838 nan 8.230 nan 0.000 0.442 429 G N 4.417 113.263 108.800 0.077 0.000 2.670 429 G HA2 0.163 4.123 3.960 -0.000 0.000 0.233 429 G HA3 0.163 4.123 3.960 -0.000 0.000 0.233 429 G C -0.449 174.495 174.900 0.073 0.000 1.251 429 G CA -0.340 44.817 45.100 0.094 0.000 0.849 429 G HN 0.575 nan 8.290 nan 0.000 0.588 430 K N 0.194 120.647 120.400 0.088 0.000 2.501 430 K HA 0.349 4.669 4.320 -0.000 0.000 0.252 430 K C -1.461 175.179 176.600 0.066 0.000 0.934 430 K CA -0.843 55.481 56.287 0.061 0.000 0.797 430 K CB 2.514 35.040 32.500 0.044 0.000 1.270 430 K HN 0.342 nan 8.250 nan 0.000 0.431 431 L N 2.829 124.076 121.223 0.041 0.000 2.298 431 L HA 0.412 4.752 4.340 -0.000 0.000 0.284 431 L C -1.208 175.678 176.870 0.027 0.000 1.013 431 L CA -0.640 54.218 54.840 0.031 0.000 0.824 431 L CB 1.545 43.614 42.059 0.016 0.000 1.221 431 L HN 0.300 nan 8.230 nan 0.000 0.418 432 V N 7.102 127.032 119.914 0.026 0.000 2.347 432 V HA 0.473 4.593 4.120 -0.000 0.000 0.280 432 V C -1.960 174.149 176.094 0.025 0.000 1.021 432 V CA -1.625 60.690 62.300 0.026 0.000 0.847 432 V CB 1.071 32.904 31.823 0.016 0.000 0.990 432 V HN 0.678 nan 8.190 nan 0.000 0.444 433 P HA 0.052 nan 4.420 nan 0.000 0.267 433 P C 0.867 178.179 177.300 0.020 0.000 1.200 433 P CA -0.279 62.835 63.100 0.022 0.000 0.772 433 P CB 0.862 32.577 31.700 0.025 0.000 0.855 434 L N 3.890 125.115 121.223 0.004 0.000 2.010 434 L HA -0.275 4.065 4.340 -0.000 0.000 0.219 434 L C 2.213 179.066 176.870 -0.028 0.000 1.077 434 L CA 2.175 56.998 54.840 -0.029 0.000 0.773 434 L CB -1.102 40.934 42.059 -0.039 0.000 0.892 434 L HN 0.362 nan 8.230 nan 0.000 0.436 435 K N -1.010 119.388 120.400 -0.004 0.000 2.044 435 K HA -0.206 4.114 4.320 -0.000 0.000 0.210 435 K C 1.995 178.623 176.600 0.047 0.000 1.049 435 K CA 1.707 58.003 56.287 0.014 0.000 0.927 435 K CB -0.249 32.266 32.500 0.024 0.000 0.713 435 K HN 0.360 nan 8.250 nan 0.000 0.443 436 E N 0.218 120.454 120.200 0.060 0.000 2.077 436 E HA -0.131 4.219 4.350 -0.000 0.000 0.193 436 E C 2.162 178.853 176.600 0.152 0.000 0.989 436 E CA 1.262 57.718 56.400 0.094 0.000 0.800 436 E CB -0.364 29.387 29.700 0.083 0.000 0.746 436 E HN 0.293 nan 8.360 nan 0.000 0.452 437 T N 1.999 116.638 114.554 0.141 0.000 2.622 437 T HA -0.132 4.218 4.350 -0.000 0.000 0.266 437 T C 2.134 177.040 174.700 0.343 0.000 1.047 437 T CA 1.272 63.521 62.100 0.248 0.000 1.159 437 T CB -0.296 68.664 68.868 0.153 0.000 0.863 437 T HN 0.117 nan 8.240 nan 0.000 0.422 438 I N 0.996 121.659 120.570 0.155 0.000 2.099 438 I HA -0.241 3.929 4.170 -0.000 0.000 0.239 438 I C 2.712 178.945 176.117 0.193 0.000 1.066 438 I CA 1.523 62.902 61.300 0.133 0.000 1.324 438 I CB -0.551 37.444 38.000 -0.008 0.000 1.037 438 I HN 0.238 nan 8.210 nan 0.000 0.401 439 K N 1.423 121.909 120.400 0.143 0.000 2.000 439 K HA -0.242 4.078 4.320 -0.000 0.000 0.218 439 K C 2.105 178.794 176.600 0.149 0.000 1.053 439 K CA 2.345 58.708 56.287 0.127 0.000 0.946 439 K CB -0.759 31.802 32.500 0.100 0.000 0.723 439 K HN 0.406 nan 8.250 nan 0.000 0.446 440 G N 0.428 109.320 108.800 0.154 0.000 2.491 440 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.218 440 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.218 440 G C 1.433 176.330 174.900 -0.004 0.000 1.180 440 G CA 1.104 46.218 45.100 0.024 0.000 0.774 440 G HN 0.324 nan 8.290 nan 0.000 0.562 441 F N 0.754 120.848 119.950 0.240 0.000 2.134 441 F HA -0.054 4.473 4.527 -0.000 0.000 0.299 441 F C 2.924 178.785 175.800 0.101 0.000 1.097 441 F CA 1.683 59.795 58.000 0.187 0.000 1.264 441 F CB -0.485 38.628 39.000 0.189 0.000 1.001 441 F HN 0.207 nan 8.300 nan 0.000 0.479 442 Q N 0.302 120.260 119.800 0.265 0.000 2.135 442 Q HA -0.267 4.073 4.340 -0.000 0.000 0.204 442 Q C 2.035 178.099 176.000 0.107 0.000 0.981 442 Q CA 1.919 57.816 55.803 0.156 0.000 0.856 442 Q CB -0.129 28.684 28.738 0.126 0.000 0.902 442 Q HN 0.531 nan 8.270 nan 0.000 0.425 443 Q N -0.112 119.753 119.800 0.108 0.000 2.119 443 Q HA -0.105 4.235 4.340 -0.000 0.000 0.201 443 Q C 2.133 178.176 176.000 0.071 0.000 0.972 443 Q CA 1.286 57.128 55.803 0.064 0.000 0.847 443 Q CB -0.010 28.793 28.738 0.108 0.000 0.903 443 Q HN 0.466 nan 8.270 nan 0.000 0.433 444 I N 0.685 121.326 120.570 0.118 0.000 2.252 444 I HA -0.271 3.899 4.170 -0.000 0.000 0.245 444 I C 2.166 178.304 176.117 0.034 0.000 1.102 444 I CA 1.014 62.356 61.300 0.070 0.000 1.385 444 I CB -0.214 37.748 38.000 -0.062 0.000 1.064 444 I HN 0.190 nan 8.210 nan 0.000 0.414 445 L N 0.617 121.880 121.223 0.067 0.000 2.079 445 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 445 L C 2.592 179.477 176.870 0.025 0.000 1.081 445 L CA 1.301 56.170 54.840 0.049 0.000 0.752 445 L CB -0.586 41.516 42.059 0.071 0.000 0.896 445 L HN 0.257 nan 8.230 nan 0.000 0.433 446 A N -0.892 121.941 122.820 0.022 0.000 2.235 446 A HA 0.219 4.539 4.320 -0.000 0.000 0.208 446 A C 1.830 179.403 177.584 -0.018 0.000 1.172 446 A CA 0.932 52.969 52.037 0.001 0.000 0.786 446 A CB -0.405 18.592 19.000 -0.004 0.000 0.804 446 A HN 0.567 nan 8.150 nan 0.000 0.479 447 G N -0.708 108.081 108.800 -0.018 0.000 2.213 447 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.236 447 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.236 447 G C 0.563 175.435 174.900 -0.047 0.000 0.991 447 G CA 0.489 45.578 45.100 -0.018 0.000 0.629 447 G HN 0.554 nan 8.290 nan 0.000 0.517 448 E N -0.709 119.402 120.200 -0.148 0.000 2.501 448 E HA -0.037 4.313 4.350 -0.000 0.000 0.203 448 E C 0.427 176.725 176.600 -0.502 0.000 1.072 448 E CA 0.931 57.121 56.400 -0.349 0.000 0.885 448 E CB -0.161 29.194 29.700 -0.575 0.000 0.813 448 E HN 0.755 nan 8.360 nan 0.000 0.556 449 Y N -1.280 119.050 120.300 0.049 0.000 2.750 449 Y HA 0.139 4.689 4.550 -0.000 0.000 0.247 449 Y C 0.276 176.139 175.900 -0.061 0.000 1.098 449 Y CA -0.699 57.366 58.100 -0.058 0.000 1.120 449 Y CB 0.409 38.894 38.460 0.041 0.000 1.210 449 Y HN -0.093 nan 8.280 nan 0.000 0.601 450 D N -0.355 120.128 120.400 0.137 0.000 2.309 450 D HA -0.158 4.482 4.640 -0.000 0.000 0.212 450 D C 2.012 178.385 176.300 0.122 0.000 0.968 450 D CA 1.479 55.544 54.000 0.108 0.000 0.882 450 D CB -0.050 40.807 40.800 0.094 0.000 0.918 450 D HN 0.604 nan 8.370 nan 0.000 0.503 451 H N -0.682 118.455 119.070 0.112 0.000 2.562 451 H HA 0.131 4.687 4.556 0.000 0.000 0.267 451 H C 0.592 175.980 175.328 0.099 0.000 0.959 451 H CA -0.057 56.042 56.048 0.085 0.000 1.204 451 H CB -0.251 29.545 29.762 0.057 0.000 1.430 451 H HN 0.079 nan 8.280 nan 0.000 0.545 452 L N 3.602 124.668 121.223 -0.262 0.000 2.371 452 L HA 0.317 4.657 4.340 -0.000 0.000 0.272 452 L C -2.166 174.745 176.870 0.068 0.000 1.124 452 L CA -2.198 52.564 54.840 -0.130 0.000 0.816 452 L CB 0.698 42.576 42.059 -0.302 0.000 1.129 452 L HN -0.026 nan 8.230 nan 0.000 0.448 453 P HA 0.057 nan 4.420 nan 0.000 0.271 453 P C 0.228 177.644 177.300 0.193 0.000 1.216 453 P CA -0.161 62.992 63.100 0.089 0.000 0.776 453 P CB 0.952 32.677 31.700 0.042 0.000 0.881 454 E N 1.238 121.559 120.200 0.202 0.000 2.086 454 E HA -0.272 4.078 4.350 -0.000 0.000 0.205 454 E C 1.746 178.534 176.600 0.314 0.000 1.027 454 E CA 1.501 58.057 56.400 0.261 0.000 0.830 454 E CB -0.162 29.585 29.700 0.080 0.000 0.751 454 E HN 0.486 nan 8.360 nan 0.000 0.456 455 Q N -0.743 119.151 119.800 0.157 0.000 2.515 455 Q HA -0.117 4.223 4.340 -0.000 0.000 0.215 455 Q C 1.758 177.834 176.000 0.127 0.000 0.983 455 Q CA 0.960 56.847 55.803 0.141 0.000 0.905 455 Q CB -0.037 28.747 28.738 0.077 0.000 0.961 455 Q HN 0.293 nan 8.270 nan 0.000 0.503 456 A N -0.792 122.041 122.820 0.021 0.000 2.016 456 A HA -0.036 4.284 4.320 -0.000 0.000 0.217 456 A C 1.417 178.846 177.584 -0.260 0.000 1.162 456 A CA 0.465 52.377 52.037 -0.208 0.000 0.662 456 A CB -0.327 18.398 19.000 -0.459 0.000 0.812 456 A HN 0.267 nan 8.150 nan 0.000 0.450 457 F N -2.347 117.606 119.950 0.004 0.000 2.743 457 F HA 0.169 4.696 4.527 -0.000 0.000 0.297 457 F C 0.766 176.658 175.800 0.153 0.000 1.131 457 F CA -0.341 57.685 58.000 0.044 0.000 1.426 457 F CB -0.337 38.664 39.000 0.003 0.000 1.116 457 F HN 0.251 nan 8.300 nan 0.000 0.583 458 Y N 2.194 122.596 120.300 0.170 0.000 2.569 458 Y HA 0.184 4.734 4.550 -0.000 0.000 0.332 458 Y C 0.742 176.658 175.900 0.027 0.000 1.120 458 Y CA -1.143 57.010 58.100 0.088 0.000 1.416 458 Y CB 0.038 38.533 38.460 0.058 0.000 1.210 458 Y HN 0.059 nan 8.280 nan 0.000 0.528 459 M N 5.597 124.822 119.600 -0.625 0.000 2.399 459 M HA -0.170 4.310 4.480 -0.000 0.000 0.191 459 M C -1.184 174.937 176.300 -0.299 0.000 0.732 459 M CA 1.019 55.924 55.300 -0.658 0.000 0.512 459 M CB -2.434 29.484 32.600 -1.137 0.000 1.191 459 M HN 0.432 nan 8.290 nan 0.000 0.894 460 V N -3.093 116.741 119.914 -0.134 0.000 3.156 460 V HA 1.095 5.215 4.120 -0.000 0.000 0.311 460 V C 0.718 176.794 176.094 -0.029 0.000 1.208 460 V CA -0.116 62.163 62.300 -0.036 0.000 1.063 460 V CB 1.503 33.341 31.823 0.024 0.000 1.098 460 V HN 0.408 nan 8.190 nan 0.000 0.452 461 G N -0.246 108.562 108.800 0.013 0.000 2.992 461 G HA2 0.504 4.464 3.960 -0.000 0.000 0.195 461 G HA3 0.504 4.464 3.960 -0.000 0.000 0.195 461 G C -2.460 172.479 174.900 0.065 0.000 2.032 461 G CA -0.482 44.624 45.100 0.010 0.000 0.831 461 G HN 0.699 nan 8.290 nan 0.000 0.647 462 P HA 0.150 nan 4.420 nan 0.000 0.272 462 P C 0.810 178.223 177.300 0.188 0.000 1.230 462 P CA -0.596 62.594 63.100 0.149 0.000 0.788 462 P CB 1.005 32.751 31.700 0.077 0.000 0.949 463 I N 1.635 122.297 120.570 0.154 0.000 2.264 463 I HA -0.269 3.901 4.170 -0.000 0.000 0.248 463 I C 1.604 177.573 176.117 -0.248 0.000 1.111 463 I CA 1.817 62.980 61.300 -0.228 0.000 1.382 463 I CB -0.925 36.853 38.000 -0.370 0.000 1.060 463 I HN 0.288 nan 8.210 nan 0.000 0.418 464 E N 0.672 120.812 120.200 -0.100 0.000 2.171 464 E HA -0.246 4.104 4.350 -0.000 0.000 0.197 464 E C 2.077 178.609 176.600 -0.114 0.000 0.997 464 E CA 1.642 57.989 56.400 -0.089 0.000 0.810 464 E CB -0.288 29.397 29.700 -0.024 0.000 0.738 464 E HN 0.629 nan 8.360 nan 0.000 0.467 465 E N -0.278 119.869 120.200 -0.089 0.000 2.274 465 E HA -0.051 4.299 4.350 -0.000 0.000 0.194 465 E C 1.921 178.422 176.600 -0.165 0.000 0.996 465 E CA 0.613 56.964 56.400 -0.082 0.000 0.840 465 E CB -0.013 29.671 29.700 -0.026 0.000 0.772 465 E HN 0.288 nan 8.360 nan 0.000 0.491 466 A N 0.941 123.590 122.820 -0.286 0.000 1.929 466 A HA -0.101 4.219 4.320 -0.000 0.000 0.216 466 A C 2.447 179.708 177.584 -0.537 0.000 1.176 466 A CA 0.858 52.577 52.037 -0.530 0.000 0.628 466 A CB -0.403 18.061 19.000 -0.894 0.000 0.816 466 A HN 0.097 nan 8.150 nan 0.000 0.444 467 V N -0.112 119.543 119.914 -0.431 0.000 2.358 467 V HA -0.188 3.932 4.120 -0.000 0.000 0.246 467 V C 3.014 179.011 176.094 -0.162 0.000 1.047 467 V CA 1.717 63.855 62.300 -0.270 0.000 1.035 467 V CB -1.266 30.468 31.823 -0.150 0.000 0.658 467 V HN 0.602 nan 8.190 nan 0.000 0.452 468 A N 0.061 122.801 122.820 -0.134 0.000 1.841 468 A HA -0.293 4.027 4.320 -0.000 0.000 0.216 468 A C 2.333 179.866 177.584 -0.086 0.000 1.199 468 A CA 2.353 54.340 52.037 -0.083 0.000 0.621 468 A CB -0.643 18.320 19.000 -0.061 0.000 0.835 468 A HN 0.470 nan 8.150 nan 0.000 0.445 469 K N -0.492 119.846 120.400 -0.103 0.000 2.089 469 K HA -0.210 4.110 4.320 -0.000 0.000 0.210 469 K C 2.169 178.712 176.600 -0.095 0.000 1.048 469 K CA 1.436 57.673 56.287 -0.084 0.000 0.926 469 K CB -0.372 32.077 32.500 -0.085 0.000 0.714 469 K HN 0.422 nan 8.250 nan 0.000 0.448 470 A N 1.720 124.446 122.820 -0.156 0.000 1.892 470 A HA -0.248 4.071 4.320 -0.000 0.000 0.218 470 A C 1.690 179.236 177.584 -0.064 0.000 1.188 470 A CA 2.218 54.175 52.037 -0.134 0.000 0.631 470 A CB -0.688 18.196 19.000 -0.193 0.000 0.822 470 A HN 0.406 nan 8.150 nan 0.000 0.447 471 D N -0.500 119.866 120.400 -0.056 0.000 2.088 471 D HA -0.190 4.450 4.640 -0.000 0.000 0.191 471 D C 1.822 178.109 176.300 -0.021 0.000 0.992 471 D CA 1.654 55.639 54.000 -0.025 0.000 0.831 471 D CB -0.556 40.231 40.800 -0.020 0.000 0.973 471 D HN 0.578 nan 8.370 nan 0.000 0.447 472 K N 0.558 120.942 120.400 -0.026 0.000 2.137 472 K HA -0.211 4.109 4.320 -0.000 0.000 0.216 472 K C 0.540 177.133 176.600 -0.010 0.000 1.052 472 K CA 1.043 57.320 56.287 -0.017 0.000 0.939 472 K CB -0.466 32.023 32.500 -0.019 0.000 0.724 472 K HN 0.145 nan 8.250 nan 0.000 0.465 473 L N 0.908 122.124 121.223 -0.012 0.000 2.574 473 L HA 0.002 4.342 4.340 -0.000 0.000 0.281 473 L C 1.102 177.972 176.870 -0.000 0.000 1.212 473 L CA -0.247 54.591 54.840 -0.003 0.000 1.082 473 L CB 0.258 42.316 42.059 -0.003 0.000 1.362 473 L HN 0.319 nan 8.230 nan 0.000 0.451 474 A N 2.411 125.232 122.820 0.001 0.000 1.919 474 A HA 0.316 4.636 4.320 -0.000 0.000 0.211 474 A C 0.642 178.229 177.584 0.005 0.000 1.310 474 A CA 0.733 52.771 52.037 0.003 0.000 0.651 474 A CB 0.392 19.392 19.000 0.001 0.000 0.996 474 A HN 0.593 nan 8.150 nan 0.000 0.479 475 E N 0.000 120.203 120.200 0.005 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 0.006 0.000 0.976 475 E CB 0.000 29.703 29.700 0.006 0.000 0.812 475 E HN 0.000 nan 8.360 nan 0.000 0.440