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 2w6j_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 0.000 174.851 174.700 0.252 0.000 1.109 9 T CA 0.000 62.188 62.100 0.146 0.000 1.349 9 T CB 0.000 68.948 68.868 0.133 0.000 0.612 10 T N 1.570 116.251 114.554 0.211 0.000 2.824 10 T HA 0.804 5.155 4.350 0.001 0.000 0.282 10 T C 0.433 174.971 174.700 -0.270 0.000 0.993 10 T CA -0.445 61.680 62.100 0.042 0.000 0.967 10 T CB 1.614 70.472 68.868 -0.017 0.000 0.960 10 T HN 1.134 nan 8.240 nan 0.000 0.441 11 G N 1.770 110.109 108.800 -0.768 0.000 2.644 11 G HA2 0.769 4.729 3.960 0.001 0.000 0.307 11 G HA3 0.769 4.729 3.960 0.001 0.000 0.307 11 G C -1.191 173.363 174.900 -0.577 0.000 1.250 11 G CA -1.004 43.337 45.100 -1.266 0.000 0.996 11 G HN 0.606 nan 8.290 nan 0.000 0.489 12 R N -0.473 119.759 120.500 -0.447 0.000 2.621 12 R HA 0.390 4.730 4.340 0.001 0.000 0.292 12 R C -0.379 175.809 176.300 -0.186 0.000 0.969 12 R CA -0.799 55.157 56.100 -0.240 0.000 0.887 12 R CB 2.511 32.713 30.300 -0.163 0.000 1.180 12 R HN 0.382 nan 8.270 nan 0.000 0.450 13 I N 3.175 123.671 120.570 -0.124 0.000 2.668 13 I HA -0.114 4.056 4.170 0.001 0.000 0.285 13 I C 1.478 177.558 176.117 -0.062 0.000 1.168 13 I CA 0.292 61.547 61.300 -0.076 0.000 1.424 13 I CB 0.757 38.727 38.000 -0.051 0.000 1.377 13 I HN 0.588 nan 8.210 nan 0.000 0.560 14 V N 2.933 122.820 119.914 -0.046 0.000 3.572 14 V HA 0.584 4.705 4.120 0.001 0.000 0.260 14 V C 0.523 176.604 176.094 -0.021 0.000 1.324 14 V CA 0.370 62.650 62.300 -0.034 0.000 1.068 14 V CB 0.261 32.065 31.823 -0.031 0.000 0.837 14 V HN 0.730 nan 8.190 nan 0.000 0.450 15 A N -0.181 122.629 122.820 -0.016 0.000 2.574 15 A HA 0.824 5.145 4.320 0.001 0.000 0.297 15 A C -1.306 176.273 177.584 -0.007 0.000 1.062 15 A CA -0.400 51.631 52.037 -0.010 0.000 0.686 15 A CB 2.265 21.262 19.000 -0.005 0.000 1.285 15 A HN 0.583 nan 8.150 nan 0.000 0.403 16 V N 2.468 122.379 119.914 -0.006 0.000 2.524 16 V HA 0.518 4.639 4.120 0.001 0.000 0.297 16 V C -0.906 175.186 176.094 -0.003 0.000 1.035 16 V CA -0.056 62.241 62.300 -0.005 0.000 0.867 16 V CB 1.319 33.138 31.823 -0.006 0.000 1.004 16 V HN 0.714 nan 8.190 nan 0.000 0.426 17 I N 4.285 124.854 120.570 -0.002 0.000 2.517 17 I HA 0.622 4.792 4.170 0.001 0.000 0.280 17 I C 1.002 177.117 176.117 -0.003 0.000 1.061 17 I CA -0.072 61.227 61.300 -0.003 0.000 1.091 17 I CB 1.499 39.498 38.000 -0.002 0.000 1.205 17 I HN 0.836 nan 8.210 nan 0.000 0.459 18 G N 4.720 113.518 108.800 -0.003 0.000 2.622 18 G HA2 -0.375 3.585 3.960 0.001 0.000 0.307 18 G HA3 -0.375 3.585 3.960 0.001 0.000 0.307 18 G C 0.907 175.805 174.900 -0.003 0.000 1.226 18 G CA 0.611 45.708 45.100 -0.004 0.000 0.997 18 G HN 0.868 nan 8.290 nan 0.000 0.551 19 A N -0.745 122.072 122.820 -0.004 0.000 2.235 19 A HA 0.544 4.865 4.320 0.001 0.000 0.208 19 A C 0.948 178.532 177.584 0.000 0.000 1.172 19 A CA 1.622 53.657 52.037 -0.003 0.000 0.786 19 A CB -0.037 18.959 19.000 -0.007 0.000 0.804 19 A HN 1.379 nan 8.150 nan 0.000 0.479 20 V N 1.000 120.915 119.914 0.000 0.000 2.370 20 V HA 0.396 4.516 4.120 0.001 0.000 0.283 20 V C -0.624 175.473 176.094 0.006 0.000 1.023 20 V CA -0.427 61.875 62.300 0.004 0.000 0.857 20 V CB 1.403 33.227 31.823 0.002 0.000 0.985 20 V HN 0.073 nan 8.190 nan 0.000 0.443 21 V N 3.974 123.895 119.914 0.012 0.000 2.487 21 V HA 0.473 4.593 4.120 0.001 0.000 0.298 21 V C -0.774 175.331 176.094 0.019 0.000 1.028 21 V CA -0.798 61.509 62.300 0.011 0.000 0.860 21 V CB 2.029 33.858 31.823 0.011 0.000 0.991 21 V HN 0.780 nan 8.190 nan 0.000 0.427 22 D N 3.281 123.689 120.400 0.012 0.000 2.198 22 D HA 0.589 5.229 4.640 0.001 0.000 0.245 22 D C -0.498 175.808 176.300 0.010 0.000 1.079 22 D CA -0.013 53.998 54.000 0.018 0.000 0.854 22 D CB 2.176 42.983 40.800 0.011 0.000 1.148 22 D HN 0.286 nan 8.370 nan 0.000 0.456 23 V N 2.225 122.159 119.914 0.033 0.000 2.531 23 V HA 0.310 4.430 4.120 0.001 0.000 0.301 23 V C -0.134 175.972 176.094 0.019 0.000 1.034 23 V CA -0.933 61.366 62.300 -0.003 0.000 0.865 23 V CB 1.888 33.736 31.823 0.043 0.000 0.995 23 V HN 0.390 nan 8.190 nan 0.000 0.424 24 Q N 2.815 122.557 119.800 -0.096 0.000 2.271 24 Q HA 0.624 4.965 4.340 0.001 0.000 0.258 24 Q C -1.895 173.988 176.000 -0.195 0.000 0.936 24 Q CA -0.475 55.297 55.803 -0.052 0.000 0.909 24 Q CB 1.354 30.059 28.738 -0.055 0.000 1.253 24 Q HN 0.645 nan 8.270 nan 0.000 0.440 25 F N 2.462 122.379 119.950 -0.056 0.000 2.449 25 F HA 0.219 4.746 4.527 0.000 0.000 0.342 25 F C 0.569 176.343 175.800 -0.044 0.000 1.127 25 F CA -0.726 57.243 58.000 -0.050 0.000 0.975 25 F CB 1.714 40.676 39.000 -0.063 0.000 1.146 25 F HN 0.631 nan 8.300 nan 0.000 0.444 26 D N 1.255 121.709 120.400 0.090 0.000 2.224 26 D HA -0.072 4.568 4.640 0.001 0.000 0.205 26 D C 1.214 177.554 176.300 0.068 0.000 0.965 26 D CA 1.328 55.360 54.000 0.053 0.000 0.852 26 D CB 0.488 41.297 40.800 0.016 0.000 0.947 26 D HN 0.542 nan 8.370 nan 0.000 0.494 27 E N -0.543 119.720 120.200 0.106 0.000 3.788 27 E HA 0.249 4.600 4.350 0.001 0.000 0.252 27 E C 0.839 177.473 176.600 0.057 0.000 1.028 27 E CA -0.189 56.253 56.400 0.070 0.000 0.965 27 E CB -0.746 28.989 29.700 0.059 0.000 2.914 27 E HN -0.046 nan 8.360 nan 0.000 0.544 28 G N 2.538 111.365 108.800 0.045 0.000 2.469 28 G HA2 0.269 4.230 3.960 0.001 0.000 0.293 28 G HA3 0.269 4.230 3.960 0.001 0.000 0.293 28 G C -0.248 174.538 174.900 -0.190 0.000 0.982 28 G CA -0.048 45.029 45.100 -0.038 0.000 1.401 28 G HN -0.051 nan 8.290 nan 0.000 0.453 29 L N 5.831 126.922 121.223 -0.219 0.000 2.418 29 L HA 0.305 4.645 4.340 0.001 0.000 0.274 29 L C -1.473 175.150 176.870 -0.411 0.000 1.135 29 L CA -1.595 52.991 54.840 -0.423 0.000 0.870 29 L CB 0.690 42.571 42.059 -0.297 0.000 1.154 29 L HN 0.311 nan 8.230 nan 0.000 0.462 30 P HA 0.244 nan 4.420 nan 0.000 0.276 30 P C -2.742 174.531 177.300 -0.046 0.000 1.230 30 P CA -1.404 61.501 63.100 -0.325 0.000 0.776 30 P CB 0.243 31.701 31.700 -0.404 0.000 0.888 31 P HA 0.151 nan 4.420 nan 0.000 0.272 31 P C 0.456 177.771 177.300 0.025 0.000 1.230 31 P CA -0.166 62.964 63.100 0.050 0.000 0.788 31 P CB 0.707 32.387 31.700 -0.034 0.000 0.949 32 I N 1.936 122.458 120.570 -0.081 0.000 2.815 32 I HA -0.155 4.015 4.170 0.001 0.000 0.291 32 I C 1.621 177.667 176.117 -0.119 0.000 1.209 32 I CA 0.695 61.937 61.300 -0.096 0.000 1.431 32 I CB -0.347 37.553 38.000 -0.168 0.000 1.351 32 I HN 0.447 nan 8.210 nan 0.000 0.585 33 L N 1.660 122.802 121.223 -0.136 0.000 4.110 33 L HA -0.250 4.090 4.340 0.001 0.000 0.404 33 L C 0.245 177.040 176.870 -0.125 0.000 0.763 33 L CA 0.108 54.805 54.840 -0.238 0.000 2.413 33 L CB -1.517 40.295 42.059 -0.412 0.000 1.244 33 L HN 0.687 nan 8.230 nan 0.000 0.614 34 N N 1.165 119.826 118.700 -0.064 0.000 2.479 34 N HA 0.466 5.206 4.740 0.001 0.000 0.257 34 N C 0.249 175.759 175.510 0.001 0.000 1.232 34 N CA 0.940 53.972 53.050 -0.030 0.000 0.920 34 N CB 0.853 39.316 38.487 -0.040 0.000 1.105 34 N HN 0.306 nan 8.380 nan 0.000 0.444 35 A N 2.548 125.377 122.820 0.016 0.000 2.289 35 A HA 0.545 4.866 4.320 0.001 0.000 0.298 35 A C -0.397 177.207 177.584 0.033 0.000 1.208 35 A CA -0.534 51.522 52.037 0.032 0.000 0.845 35 A CB 0.014 19.035 19.000 0.035 0.000 1.125 35 A HN 0.612 nan 8.150 nan 0.000 0.517 36 L N 2.186 123.439 121.223 0.050 0.000 2.334 36 L HA 0.505 4.845 4.340 0.001 0.000 0.276 36 L C -0.265 176.638 176.870 0.055 0.000 1.014 36 L CA -0.765 54.119 54.840 0.074 0.000 0.815 36 L CB 1.723 43.854 42.059 0.120 0.000 1.268 36 L HN 0.589 nan 8.230 nan 0.000 0.428 37 E N 2.714 122.944 120.200 0.051 0.000 2.113 37 E HA 0.287 4.637 4.350 0.001 0.000 0.273 37 E C -0.777 175.837 176.600 0.023 0.000 0.924 37 E CA -0.602 55.816 56.400 0.030 0.000 0.764 37 E CB 2.364 32.075 29.700 0.019 0.000 1.104 37 E HN 0.201 nan 8.360 nan 0.000 0.406 38 V N 4.095 124.017 119.914 0.015 0.000 2.521 38 V HA -0.025 4.096 4.120 0.001 0.000 0.286 38 V C 0.753 176.846 176.094 -0.003 0.000 1.034 38 V CA -0.301 62.000 62.300 0.002 0.000 1.045 38 V CB 0.608 32.431 31.823 0.000 0.000 0.974 38 V HN 0.478 nan 8.190 nan 0.000 0.480 39 Q N 2.446 122.239 119.800 -0.011 0.000 2.317 39 Q HA 0.407 4.747 4.340 0.001 0.000 0.229 39 Q C 1.238 177.230 176.000 -0.012 0.000 0.984 39 Q CA 0.450 56.246 55.803 -0.012 0.000 0.911 39 Q CB 0.875 29.603 28.738 -0.017 0.000 1.217 39 Q HN 1.162 nan 8.270 nan 0.000 0.501 40 G N 1.400 110.193 108.800 -0.010 0.000 2.221 40 G HA2 -0.234 3.727 3.960 0.001 0.000 0.265 40 G HA3 -0.234 3.727 3.960 0.001 0.000 0.265 40 G C -0.207 174.689 174.900 -0.007 0.000 1.041 40 G CA 0.087 45.181 45.100 -0.010 0.000 0.807 40 G HN 0.275 nan 8.290 nan 0.000 0.502 41 R N -0.474 120.023 120.500 -0.005 0.000 2.589 41 R HA 0.452 4.792 4.340 0.001 0.000 0.293 41 R C 0.979 177.278 176.300 -0.001 0.000 0.963 41 R CA -0.524 55.574 56.100 -0.003 0.000 0.905 41 R CB 1.379 31.678 30.300 -0.001 0.000 1.144 41 R HN 0.411 nan 8.270 nan 0.000 0.459 42 E N 1.095 121.294 120.200 -0.001 0.000 2.047 42 E HA -0.097 4.253 4.350 0.001 0.000 0.191 42 E C -0.078 176.523 176.600 0.002 0.000 0.987 42 E CA 1.226 57.626 56.400 0.000 0.000 0.799 42 E CB 0.344 30.044 29.700 0.000 0.000 0.752 42 E HN 0.658 nan 8.360 nan 0.000 0.449 43 T N -1.629 112.927 114.554 0.003 0.000 2.888 43 T HA 0.356 4.707 4.350 0.001 0.000 0.284 43 T C -0.208 174.496 174.700 0.006 0.000 1.017 43 T CA -0.980 61.122 62.100 0.004 0.000 1.022 43 T CB 1.752 70.624 68.868 0.005 0.000 1.013 43 T HN 0.073 nan 8.240 nan 0.000 0.465 44 R N 1.293 121.798 120.500 0.007 0.000 2.486 44 R HA 0.197 4.537 4.340 0.001 0.000 0.303 44 R C -0.947 175.359 176.300 0.011 0.000 0.958 44 R CA -0.348 55.757 56.100 0.008 0.000 1.077 44 R CB -0.166 30.140 30.300 0.010 0.000 0.921 44 R HN 0.583 nan 8.270 nan 0.000 0.406 45 L N 6.193 127.422 121.223 0.011 0.000 2.316 45 L HA 0.335 4.675 4.340 0.001 0.000 0.280 45 L C -1.263 175.618 176.870 0.018 0.000 1.006 45 L CA -0.508 54.340 54.840 0.013 0.000 0.836 45 L CB 1.840 43.904 42.059 0.009 0.000 1.221 45 L HN 0.327 nan 8.230 nan 0.000 0.418 46 V N 6.331 126.258 119.914 0.022 0.000 2.439 46 V HA 0.442 4.562 4.120 0.001 0.000 0.282 46 V C 0.112 176.226 176.094 0.032 0.000 1.039 46 V CA -0.502 61.815 62.300 0.029 0.000 0.913 46 V CB 1.516 33.358 31.823 0.032 0.000 0.983 46 V HN 0.597 nan 8.190 nan 0.000 0.460 47 L N 4.320 125.567 121.223 0.039 0.000 2.307 47 L HA 0.596 4.936 4.340 0.001 0.000 0.284 47 L C 0.091 176.990 176.870 0.048 0.000 1.023 47 L CA -0.331 54.535 54.840 0.043 0.000 0.810 47 L CB 1.638 43.726 42.059 0.048 0.000 1.231 47 L HN 0.629 nan 8.230 nan 0.000 0.423 48 E N 2.240 122.468 120.200 0.047 0.000 2.156 48 E HA 0.332 4.682 4.350 0.001 0.000 0.279 48 E C -1.048 175.572 176.600 0.034 0.000 0.965 48 E CA -0.799 55.628 56.400 0.046 0.000 0.789 48 E CB 1.852 31.593 29.700 0.068 0.000 1.098 48 E HN 0.335 nan 8.360 nan 0.000 0.397 49 V N 4.278 124.206 119.914 0.024 0.000 2.485 49 V HA 0.085 4.205 4.120 0.001 0.000 0.287 49 V C 0.887 176.987 176.094 0.012 0.000 1.022 49 V CA 0.829 63.148 62.300 0.032 0.000 1.067 49 V CB 0.726 32.572 31.823 0.039 0.000 0.967 49 V HN 0.882 nan 8.190 nan 0.000 0.479 50 A N 4.337 127.174 122.820 0.028 0.000 2.013 50 A HA 0.334 4.654 4.320 0.001 0.000 0.204 50 A C 0.711 178.305 177.584 0.016 0.000 1.262 50 A CA 0.240 52.282 52.037 0.009 0.000 0.800 50 A CB 0.378 19.384 19.000 0.010 0.000 0.909 50 A HN 0.759 nan 8.150 nan 0.000 0.472 51 Q N -0.977 118.862 119.800 0.064 0.000 2.418 51 Q HA 0.379 4.719 4.340 0.001 0.000 0.282 51 Q C -1.684 174.455 176.000 0.232 0.000 1.044 51 Q CA -0.576 55.278 55.803 0.084 0.000 0.813 51 Q CB 1.842 30.613 28.738 0.055 0.000 1.428 51 Q HN 0.617 nan 8.270 nan 0.000 0.402 52 H N 1.925 120.987 119.070 -0.013 0.000 2.597 52 H HA 0.242 4.798 4.556 0.000 0.000 0.303 52 H C 0.515 175.844 175.328 0.001 0.000 1.057 52 H CA -0.285 55.759 56.048 -0.007 0.000 1.261 52 H CB 1.078 30.830 29.762 -0.018 0.000 1.397 52 H HN 0.437 nan 8.280 nan 0.000 0.461 53 L N 2.824 124.104 121.223 0.095 0.000 2.418 53 L HA 0.139 4.480 4.340 0.001 0.000 0.218 53 L C 1.227 178.123 176.870 0.044 0.000 1.125 53 L CA 0.530 55.404 54.840 0.056 0.000 0.835 53 L CB -0.053 42.028 42.059 0.036 0.000 0.953 53 L HN 0.897 nan 8.230 nan 0.000 0.454 54 G N 0.248 109.074 108.800 0.043 0.000 2.661 54 G HA2 -0.181 3.779 3.960 0.001 0.000 0.685 54 G HA3 -0.181 3.779 3.960 0.001 0.000 0.685 54 G C -0.010 174.898 174.900 0.014 0.000 1.298 54 G CA -0.405 44.712 45.100 0.029 0.000 0.855 54 G HN 0.337 nan 8.290 nan 0.000 0.560 55 E N -1.056 119.150 120.200 0.011 0.000 2.476 55 E HA -0.190 4.160 4.350 0.001 0.000 0.251 55 E C 0.986 177.590 176.600 0.007 0.000 1.130 55 E CA 1.062 57.467 56.400 0.008 0.000 0.736 55 E CB -1.590 28.115 29.700 0.007 0.000 1.298 55 E HN 2.027 nan 8.360 nan 0.000 0.400 56 S N -1.820 113.880 115.700 0.000 0.000 3.521 56 S HA -0.207 4.264 4.470 0.001 0.000 0.328 56 S C 0.094 174.708 174.600 0.023 0.000 1.165 56 S CA 1.507 59.709 58.200 0.003 0.000 0.941 56 S CB -0.882 62.335 63.200 0.028 0.000 0.951 56 S HN 0.461 nan 8.310 nan 0.000 0.539 57 T N 1.534 116.088 114.554 -0.001 0.000 2.807 57 T HA 0.606 4.957 4.350 0.001 0.000 0.279 57 T C 0.213 174.908 174.700 -0.009 0.000 0.993 57 T CA -0.334 61.779 62.100 0.021 0.000 0.970 57 T CB 1.768 70.647 68.868 0.018 0.000 0.950 57 T HN 0.473 nan 8.240 nan 0.000 0.441 58 V N 1.701 121.630 119.914 0.025 0.000 2.630 58 V HA 0.757 4.877 4.120 0.001 0.000 0.305 58 V C -0.159 175.971 176.094 0.061 0.000 1.046 58 V CA -1.306 61.006 62.300 0.020 0.000 0.934 58 V CB 1.568 33.384 31.823 -0.011 0.000 1.003 58 V HN 0.852 nan 8.190 nan 0.000 0.451 59 R N 2.405 122.944 120.500 0.065 0.000 2.346 59 R HA 0.729 5.069 4.340 0.001 0.000 0.311 59 R C -0.179 176.153 176.300 0.052 0.000 0.983 59 R CA 0.288 56.418 56.100 0.051 0.000 0.880 59 R CB 1.544 31.868 30.300 0.040 0.000 1.100 59 R HN 1.172 nan 8.270 nan 0.000 0.453 60 T N 2.101 116.681 114.554 0.043 0.000 2.916 60 T HA 0.534 4.884 4.350 0.001 0.000 0.292 60 T C 0.002 174.718 174.700 0.028 0.000 1.055 60 T CA -1.028 61.097 62.100 0.041 0.000 1.009 60 T CB 1.133 70.034 68.868 0.054 0.000 1.118 60 T HN 0.598 nan 8.240 nan 0.000 0.497 61 I N 0.280 120.866 120.570 0.026 0.000 2.378 61 I HA 0.825 4.996 4.170 0.001 0.000 0.291 61 I C 0.142 176.272 176.117 0.022 0.000 0.992 61 I CA -1.379 59.932 61.300 0.017 0.000 1.154 61 I CB 1.218 39.224 38.000 0.009 0.000 1.315 61 I HN 0.883 nan 8.210 nan 0.000 0.448 62 A N 6.956 129.785 122.820 0.016 0.000 2.388 62 A HA 0.463 4.783 4.320 0.001 0.000 0.257 62 A C 0.815 178.410 177.584 0.017 0.000 1.095 62 A CA -0.512 51.536 52.037 0.017 0.000 0.791 62 A CB 0.643 19.651 19.000 0.012 0.000 1.029 62 A HN 0.891 nan 8.150 nan 0.000 0.489 63 M N 0.665 120.278 119.600 0.022 0.000 2.502 63 M HA 0.157 4.638 4.480 0.001 0.000 0.243 63 M C -0.028 176.283 176.300 0.018 0.000 1.130 63 M CA 0.704 56.017 55.300 0.022 0.000 1.055 63 M CB -0.884 31.733 32.600 0.028 0.000 1.457 63 M HN 0.793 nan 8.290 nan 0.000 0.488 64 D N -1.142 119.267 120.400 0.015 0.000 2.752 64 D HA 0.472 5.113 4.640 0.001 0.000 0.313 64 D C -0.473 175.833 176.300 0.009 0.000 1.225 64 D CA -0.214 53.793 54.000 0.013 0.000 0.976 64 D CB 1.359 42.166 40.800 0.013 0.000 1.443 64 D HN 0.105 nan 8.370 nan 0.000 0.515 65 G N -0.938 107.867 108.800 0.007 0.000 2.484 65 G HA2 0.307 4.267 3.960 0.001 0.000 0.235 65 G HA3 0.307 4.267 3.960 0.001 0.000 0.235 65 G C 0.853 175.756 174.900 0.004 0.000 1.282 65 G CA 0.617 45.720 45.100 0.005 0.000 0.857 65 G HN 0.411 nan 8.290 nan 0.000 0.571 66 T N -1.470 113.085 114.554 0.002 0.000 3.069 66 T HA 0.127 4.478 4.350 0.001 0.000 0.252 66 T C 0.786 175.486 174.700 -0.001 0.000 1.053 66 T CA 0.108 62.209 62.100 0.001 0.000 0.964 66 T CB 0.030 68.898 68.868 0.000 0.000 1.005 66 T HN 0.651 nan 8.240 nan 0.000 0.532 67 E N 2.067 122.267 120.200 -0.001 0.000 2.465 67 E HA 0.265 4.616 4.350 0.001 0.000 0.260 67 E C 1.152 177.751 176.600 -0.002 0.000 0.980 67 E CA 0.774 57.173 56.400 -0.001 0.000 0.927 67 E CB 0.033 29.733 29.700 -0.001 0.000 0.934 67 E HN 0.501 nan 8.360 nan 0.000 0.459 68 G N 2.854 111.652 108.800 -0.004 0.000 2.217 68 G HA2 -0.261 3.700 3.960 0.001 0.000 0.246 68 G HA3 -0.261 3.700 3.960 0.001 0.000 0.246 68 G C 0.307 175.203 174.900 -0.007 0.000 0.990 68 G CA 0.114 45.211 45.100 -0.005 0.000 0.627 68 G HN 0.489 nan 8.290 nan 0.000 0.522 69 L N 0.941 122.159 121.223 -0.008 0.000 2.456 69 L HA 0.520 4.860 4.340 0.001 0.000 0.272 69 L C 0.519 177.381 176.870 -0.013 0.000 1.189 69 L CA -0.336 54.497 54.840 -0.011 0.000 0.846 69 L CB 1.246 43.300 42.059 -0.010 0.000 1.111 69 L HN 0.002 nan 8.230 nan 0.000 0.475 70 V N 2.969 122.873 119.914 -0.018 0.000 2.735 70 V HA 0.360 4.481 4.120 0.001 0.000 0.310 70 V C -0.022 176.056 176.094 -0.026 0.000 1.061 70 V CA -0.936 61.352 62.300 -0.019 0.000 0.913 70 V CB 1.991 33.802 31.823 -0.019 0.000 1.005 70 V HN 0.663 nan 8.190 nan 0.000 0.428 71 R N 2.527 123.012 120.500 -0.025 0.000 2.458 71 R HA 0.431 4.771 4.340 0.001 0.000 0.303 71 R C 1.227 177.505 176.300 -0.036 0.000 1.013 71 R CA 0.993 57.075 56.100 -0.030 0.000 1.026 71 R CB 0.054 30.339 30.300 -0.025 0.000 0.948 71 R HN 1.197 nan 8.270 nan 0.000 0.417 72 G N 1.973 110.744 108.800 -0.048 0.000 2.253 72 G HA2 -0.276 3.685 3.960 0.001 0.000 0.209 72 G HA3 -0.276 3.685 3.960 0.001 0.000 0.209 72 G C 0.166 175.029 174.900 -0.061 0.000 0.997 72 G CA -0.389 44.678 45.100 -0.054 0.000 0.640 72 G HN 0.572 nan 8.290 nan 0.000 0.496 73 Q N 1.478 121.245 119.800 -0.055 0.000 2.330 73 Q HA 0.414 4.754 4.340 0.001 0.000 0.279 73 Q C 0.304 176.258 176.000 -0.076 0.000 1.024 73 Q CA 0.304 56.075 55.803 -0.053 0.000 0.900 73 Q CB 0.299 29.013 28.738 -0.040 0.000 1.221 73 Q HN 0.467 nan 8.270 nan 0.000 0.396 74 K N 1.764 122.122 120.400 -0.071 0.000 2.270 74 K HA 0.340 4.660 4.320 0.001 0.000 0.276 74 K C -1.077 175.474 176.600 -0.083 0.000 1.023 74 K CA -0.425 55.807 56.287 -0.091 0.000 0.955 74 K CB 1.132 33.592 32.500 -0.067 0.000 0.975 74 K HN 0.287 nan 8.250 nan 0.000 0.471 75 V N 4.079 123.921 119.914 -0.120 0.000 2.577 75 V HA 0.300 4.420 4.120 0.001 0.000 0.303 75 V C -0.561 175.534 176.094 0.002 0.000 1.042 75 V CA -0.918 61.347 62.300 -0.059 0.000 0.872 75 V CB 1.426 33.212 31.823 -0.061 0.000 0.998 75 V HN 0.602 nan 8.190 nan 0.000 0.423 76 L N 3.089 124.349 121.223 0.060 0.000 2.307 76 L HA 0.518 4.858 4.340 0.001 0.000 0.282 76 L C -0.131 176.828 176.870 0.149 0.000 1.051 76 L CA -0.464 54.439 54.840 0.106 0.000 0.804 76 L CB 1.570 43.660 42.059 0.052 0.000 1.197 76 L HN 0.638 nan 8.230 nan 0.000 0.431 77 D N 0.962 121.472 120.400 0.183 0.000 2.317 77 D HA 0.032 4.672 4.640 0.001 0.000 0.252 77 D C 1.088 177.409 176.300 0.035 0.000 1.174 77 D CA -0.129 53.922 54.000 0.085 0.000 0.866 77 D CB 1.406 42.201 40.800 -0.007 0.000 1.127 77 D HN 0.518 nan 8.370 nan 0.000 0.467 78 S N 2.721 118.431 115.700 0.017 0.000 2.481 78 S HA 0.095 4.566 4.470 0.001 0.000 0.231 78 S C 1.759 176.349 174.600 -0.017 0.000 0.996 78 S CA 0.456 58.654 58.200 -0.003 0.000 0.942 78 S CB -0.321 62.873 63.200 -0.009 0.000 0.768 78 S HN 0.978 nan 8.310 nan 0.000 0.520 79 G N 0.308 109.095 108.800 -0.021 0.000 2.143 79 G HA2 0.113 4.073 3.960 0.001 0.000 0.249 79 G HA3 0.113 4.073 3.960 0.001 0.000 0.249 79 G C 0.118 175.003 174.900 -0.026 0.000 0.981 79 G CA -0.081 45.002 45.100 -0.029 0.000 0.665 79 G HN 1.622 nan 8.290 nan 0.000 0.528 80 A N -1.232 121.576 122.820 -0.020 0.000 2.608 80 A HA 0.879 5.199 4.320 0.001 0.000 0.292 80 A C -2.936 174.650 177.584 0.004 0.000 1.066 80 A CA -0.672 51.358 52.037 -0.011 0.000 0.676 80 A CB 1.079 20.072 19.000 -0.012 0.000 1.277 80 A HN 0.088 nan 8.150 nan 0.000 0.413 81 P HA 0.292 nan 4.420 nan 0.000 0.272 81 P C -0.295 177.053 177.300 0.080 0.000 1.254 81 P CA -0.211 62.930 63.100 0.069 0.000 0.795 81 P CB 0.229 32.008 31.700 0.131 0.000 1.022 82 I N 0.779 121.418 120.570 0.115 0.000 2.741 82 I HA -0.068 4.102 4.170 0.001 0.000 0.288 82 I C 1.078 177.237 176.117 0.070 0.000 1.192 82 I CA 0.971 62.319 61.300 0.079 0.000 1.426 82 I CB -0.153 37.894 38.000 0.078 0.000 1.367 82 I HN 0.129 nan 8.210 nan 0.000 0.563 83 R N 7.175 127.709 120.500 0.056 0.000 2.494 83 R HA 0.704 5.045 4.340 0.001 0.000 0.305 83 R C -0.801 175.600 176.300 0.169 0.000 0.959 83 R CA -0.750 55.404 56.100 0.090 0.000 0.864 83 R CB 1.874 32.199 30.300 0.041 0.000 1.159 83 R HN 0.583 nan 8.270 nan 0.000 0.446 84 I N -1.052 119.636 120.570 0.197 0.000 2.892 84 I HA 0.653 4.823 4.170 0.001 0.000 0.306 84 I C -2.676 173.481 176.117 0.066 0.000 1.078 84 I CA -3.334 58.067 61.300 0.168 0.000 1.032 84 I CB 2.276 40.300 38.000 0.039 0.000 1.229 84 I HN 0.312 nan 8.210 nan 0.000 0.435 85 P HA 0.204 nan 4.420 nan 0.000 0.271 85 P C -0.480 176.576 177.300 -0.407 0.000 1.220 85 P CA -0.150 62.634 63.100 -0.527 0.000 0.768 85 P CB 0.942 32.397 31.700 -0.408 0.000 0.848 86 V N 0.277 119.863 119.914 -0.547 0.000 3.182 86 V HA 1.008 5.128 4.120 0.001 0.000 0.311 86 V C 0.262 175.821 176.094 -0.891 0.000 1.221 86 V CA -0.326 61.566 62.300 -0.679 0.000 1.060 86 V CB 0.940 32.342 31.823 -0.702 0.000 1.164 86 V HN 0.918 nan 8.190 nan 0.000 0.466 87 G N -0.031 107.957 108.800 -1.354 0.000 2.655 87 G HA2 -0.036 3.924 3.960 0.001 0.000 0.680 87 G HA3 -0.036 3.924 3.960 0.001 0.000 0.680 87 G C -1.981 172.742 174.900 -0.295 0.000 1.302 87 G CA -0.090 44.415 45.100 -0.991 0.000 0.872 87 G HN 0.826 nan 8.290 nan 0.000 0.540 88 P HA -0.043 nan 4.420 nan 0.000 0.225 88 P C 1.340 178.641 177.300 0.001 0.000 1.148 88 P CA 1.788 64.927 63.100 0.065 0.000 0.779 88 P CB -0.020 31.703 31.700 0.039 0.000 0.780 89 E N 0.003 120.169 120.200 -0.057 0.000 2.482 89 E HA -0.070 4.281 4.350 0.001 0.000 0.196 89 E C 1.378 177.949 176.600 -0.047 0.000 1.047 89 E CA 1.281 57.646 56.400 -0.057 0.000 0.869 89 E CB -1.282 28.364 29.700 -0.089 0.000 0.836 89 E HN 0.360 nan 8.360 nan 0.000 0.520 90 T N -0.623 113.907 114.554 -0.040 0.000 3.043 90 T HA 0.073 4.423 4.350 0.001 0.000 0.263 90 T C 1.191 175.928 174.700 0.062 0.000 1.094 90 T CA -0.121 61.977 62.100 -0.003 0.000 1.127 90 T CB -0.385 68.471 68.868 -0.020 0.000 0.905 90 T HN 0.014 nan 8.240 nan 0.000 0.490 91 L N 2.046 123.310 121.223 0.068 0.000 2.462 91 L HA 0.443 4.784 4.340 0.001 0.000 0.272 91 L C 1.683 178.588 176.870 0.058 0.000 1.166 91 L CA 0.806 55.678 54.840 0.054 0.000 0.880 91 L CB 0.056 42.106 42.059 -0.015 0.000 1.142 91 L HN 0.539 nan 8.230 nan 0.000 0.473 92 G N 1.841 110.692 108.800 0.084 0.000 2.179 92 G HA2 -0.213 3.748 3.960 0.001 0.000 0.260 92 G HA3 -0.213 3.748 3.960 0.001 0.000 0.260 92 G C 0.379 175.354 174.900 0.125 0.000 0.977 92 G CA -0.344 44.815 45.100 0.097 0.000 0.641 92 G HN 0.469 nan 8.290 nan 0.000 0.533 93 R N -0.253 120.303 120.500 0.094 0.000 2.758 93 R HA 0.784 5.124 4.340 0.001 0.000 0.265 93 R C 0.244 176.573 176.300 0.048 0.000 1.016 93 R CA -0.909 55.228 56.100 0.062 0.000 1.040 93 R CB 0.864 31.180 30.300 0.028 0.000 1.152 93 R HN 0.309 nan 8.270 nan 0.000 0.503 94 I N 1.570 122.126 120.570 -0.024 0.000 2.406 94 I HA 0.430 4.600 4.170 0.001 0.000 0.290 94 I C 0.111 176.229 176.117 0.001 0.000 0.999 94 I CA -0.398 60.889 61.300 -0.022 0.000 1.124 94 I CB 1.583 39.470 38.000 -0.189 0.000 1.289 94 I HN 0.201 nan 8.210 nan 0.000 0.441 95 M N 5.447 125.079 119.600 0.053 0.000 2.664 95 M HA 0.410 4.891 4.480 0.001 0.000 0.314 95 M C -0.205 176.134 176.300 0.065 0.000 1.200 95 M CA -0.542 54.782 55.300 0.040 0.000 0.916 95 M CB 2.581 35.196 32.600 0.026 0.000 1.717 95 M HN 0.713 nan 8.290 nan 0.000 0.470 96 N N -0.301 118.427 118.700 0.047 0.000 2.681 96 N HA 0.364 5.104 4.740 0.001 0.000 0.311 96 N C 0.506 176.040 175.510 0.040 0.000 1.303 96 N CA -0.916 52.166 53.050 0.053 0.000 0.926 96 N CB 0.769 39.281 38.487 0.042 0.000 1.136 96 N HN 0.332 nan 8.380 nan 0.000 0.592 97 V N -0.190 119.746 119.914 0.036 0.000 2.332 97 V HA -0.239 3.881 4.120 0.001 0.000 0.248 97 V C 2.092 178.200 176.094 0.025 0.000 1.055 97 V CA 1.874 64.189 62.300 0.025 0.000 1.038 97 V CB -1.236 30.603 31.823 0.027 0.000 0.651 97 V HN 0.738 nan 8.190 nan 0.000 0.450 98 I N -1.831 118.758 120.570 0.032 0.000 3.875 98 I HA 0.637 4.807 4.170 0.001 0.000 0.329 98 I C 1.375 177.523 176.117 0.052 0.000 1.295 98 I CA 0.691 62.015 61.300 0.039 0.000 1.129 98 I CB 0.069 38.090 38.000 0.036 0.000 1.008 98 I HN 0.337 nan 8.210 nan 0.000 0.413 99 G N 1.089 109.916 108.800 0.045 0.000 2.176 99 G HA2 -0.230 3.731 3.960 0.001 0.000 0.232 99 G HA3 -0.230 3.731 3.960 0.001 0.000 0.232 99 G C -0.099 174.829 174.900 0.046 0.000 0.986 99 G CA -0.136 44.994 45.100 0.050 0.000 0.643 99 G HN 0.605 nan 8.290 nan 0.000 0.522 100 E N 2.112 122.337 120.200 0.040 0.000 2.373 100 E HA 0.363 4.713 4.350 0.001 0.000 0.267 100 E C -2.188 174.422 176.600 0.016 0.000 1.032 100 E CA -1.533 54.886 56.400 0.031 0.000 0.889 100 E CB 1.055 30.771 29.700 0.026 0.000 0.984 100 E HN 0.223 nan 8.360 nan 0.000 0.425 101 P HA 0.027 nan 4.420 nan 0.000 0.276 101 P C -0.001 177.288 177.300 -0.020 0.000 1.235 101 P CA 0.356 63.451 63.100 -0.008 0.000 0.772 101 P CB 0.283 31.979 31.700 -0.007 0.000 0.871 102 I N -0.334 120.210 120.570 -0.043 0.000 3.707 102 I HA 0.277 4.447 4.170 0.001 0.000 0.330 102 I C 0.003 176.047 176.117 -0.122 0.000 1.572 102 I CA -0.320 60.941 61.300 -0.065 0.000 1.104 102 I CB -0.026 37.942 38.000 -0.055 0.000 1.240 102 I HN 0.042 nan 8.210 nan 0.000 0.475 103 D N 0.119 120.449 120.400 -0.116 0.000 2.440 103 D HA 0.039 4.679 4.640 0.001 0.000 0.216 103 D C 0.448 176.718 176.300 -0.051 0.000 1.150 103 D CA -0.249 53.659 54.000 -0.153 0.000 0.832 103 D CB -0.094 40.592 40.800 -0.191 0.000 0.992 103 D HN 0.419 nan 8.370 nan 0.000 0.502 104 E N -0.050 120.132 120.200 -0.031 0.000 2.722 104 E HA -0.264 4.087 4.350 0.001 0.000 0.265 104 E C 0.281 176.887 176.600 0.010 0.000 1.081 104 E CA 0.347 56.744 56.400 -0.004 0.000 0.781 104 E CB -1.110 28.593 29.700 0.005 0.000 1.372 104 E HN 0.443 nan 8.360 nan 0.000 0.423 105 R N -0.008 120.497 120.500 0.008 0.000 2.507 105 R HA 0.271 4.611 4.340 0.001 0.000 0.298 105 R C 0.911 177.218 176.300 0.012 0.000 0.999 105 R CA 0.349 56.460 56.100 0.018 0.000 1.082 105 R CB 1.040 31.358 30.300 0.030 0.000 1.246 105 R HN 0.306 nan 8.270 nan 0.000 0.553 106 G N 2.077 110.881 108.800 0.008 0.000 2.693 106 G HA2 -0.241 3.719 3.960 0.001 0.000 0.226 106 G HA3 -0.241 3.719 3.960 0.001 0.000 0.226 106 G C -2.537 172.367 174.900 0.006 0.000 1.354 106 G CA -1.172 43.933 45.100 0.008 0.000 0.873 106 G HN 0.068 nan 8.290 nan 0.000 0.562 107 P HA 0.360 nan 4.420 nan 0.000 0.269 107 P C 0.510 177.809 177.300 -0.001 0.000 1.215 107 P CA -0.491 62.615 63.100 0.011 0.000 0.780 107 P CB 0.338 32.048 31.700 0.018 0.000 0.898 108 I N 2.277 122.842 120.570 -0.009 0.000 2.483 108 I HA -0.002 4.168 4.170 0.001 0.000 0.291 108 I C 1.041 177.128 176.117 -0.051 0.000 1.112 108 I CA 0.328 61.604 61.300 -0.040 0.000 1.350 108 I CB -0.757 37.201 38.000 -0.070 0.000 1.419 108 I HN 0.309 nan 8.210 nan 0.000 0.523 109 K N 4.337 124.711 120.400 -0.044 0.000 2.989 109 K HA 0.071 4.391 4.320 0.001 0.000 0.264 109 K C 0.434 176.991 176.600 -0.072 0.000 1.228 109 K CA 0.105 56.368 56.287 -0.039 0.000 1.186 109 K CB -0.096 32.391 32.500 -0.023 0.000 1.409 109 K HN 0.592 nan 8.250 nan 0.000 0.271 110 T N -0.090 114.395 114.554 -0.115 0.000 2.865 110 T HA 0.349 4.700 4.350 0.001 0.000 0.294 110 T C -0.465 174.124 174.700 -0.186 0.000 1.119 110 T CA -0.814 61.170 62.100 -0.192 0.000 1.007 110 T CB 1.064 69.732 68.868 -0.333 0.000 1.225 110 T HN 0.448 nan 8.240 nan 0.000 0.515 111 K N 1.459 121.749 120.400 -0.184 0.000 2.609 111 K HA 0.225 4.545 4.320 0.001 0.000 0.195 111 K C -0.161 176.426 176.600 -0.022 0.000 1.144 111 K CA -0.540 55.741 56.287 -0.010 0.000 1.084 111 K CB 0.300 32.857 32.500 0.095 0.000 0.877 111 K HN 0.639 nan 8.250 nan 0.000 0.540 112 Q N 0.991 120.626 119.800 -0.276 0.000 2.290 112 Q HA 0.476 4.816 4.340 0.001 0.000 0.259 112 Q C -1.283 174.447 176.000 -0.450 0.000 0.941 112 Q CA -0.591 55.089 55.803 -0.206 0.000 0.912 112 Q CB 0.790 29.404 28.738 -0.207 0.000 1.244 112 Q HN 0.022 nan 8.270 nan 0.000 0.441 113 F N 0.639 120.537 119.950 -0.087 0.000 2.593 113 F HA 0.815 5.342 4.527 0.000 0.000 0.320 113 F C -0.382 175.382 175.800 -0.060 0.000 1.060 113 F CA -0.895 57.057 58.000 -0.081 0.000 0.940 113 F CB 2.490 41.460 39.000 -0.050 0.000 1.268 113 F HN 0.786 nan 8.300 nan 0.000 0.475 114 A N 0.958 123.858 122.820 0.132 0.000 2.455 114 A HA 0.813 5.133 4.320 0.001 0.000 0.300 114 A C -1.209 176.417 177.584 0.071 0.000 1.040 114 A CA -0.714 51.366 52.037 0.072 0.000 0.697 114 A CB 0.980 19.990 19.000 0.017 0.000 1.265 114 A HN 1.060 nan 8.150 nan 0.000 0.407 115 A N 1.443 124.301 122.820 0.063 0.000 2.477 115 A HA 0.461 4.781 4.320 0.001 0.000 0.246 115 A C 1.094 178.699 177.584 0.034 0.000 1.078 115 A CA 0.227 52.303 52.037 0.064 0.000 0.770 115 A CB -0.429 18.617 19.000 0.078 0.000 1.011 115 A HN 1.716 nan 8.150 nan 0.000 0.494 116 I N -0.598 119.975 120.570 0.006 0.000 3.111 116 I HA 0.044 4.215 4.170 0.001 0.000 0.272 116 I C 0.148 176.126 176.117 -0.232 0.000 1.268 116 I CA 0.430 61.663 61.300 -0.111 0.000 1.467 116 I CB -0.340 37.568 38.000 -0.153 0.000 1.087 116 I HN 0.499 nan 8.210 nan 0.000 0.467 117 H N 2.415 121.492 119.070 0.012 0.000 2.476 117 H HA 0.805 5.361 4.556 0.001 0.000 0.328 117 H C -0.535 174.797 175.328 0.006 0.000 1.073 117 H CA -0.273 55.782 56.048 0.011 0.000 1.229 117 H CB 1.749 31.519 29.762 0.013 0.000 1.432 117 H HN 0.389 nan 8.280 nan 0.000 0.477 118 A N 3.127 126.006 122.820 0.098 0.000 2.606 118 A HA 0.307 4.627 4.320 0.001 0.000 0.293 118 A C -0.559 177.050 177.584 0.043 0.000 1.082 118 A CA -0.927 51.143 52.037 0.055 0.000 0.685 118 A CB 1.702 20.717 19.000 0.025 0.000 1.284 118 A HN 0.599 nan 8.150 nan 0.000 0.408 119 E N 0.822 121.042 120.200 0.033 0.000 2.373 119 E HA 0.425 4.776 4.350 0.001 0.000 0.267 119 E C 0.475 177.086 176.600 0.018 0.000 1.032 119 E CA 0.147 56.563 56.400 0.027 0.000 0.889 119 E CB 1.459 31.174 29.700 0.023 0.000 0.984 119 E HN 0.805 nan 8.360 nan 0.000 0.425 120 A N 4.519 127.351 122.820 0.019 0.000 2.407 120 A HA 0.313 4.634 4.320 0.001 0.000 0.248 120 A C -2.055 175.540 177.584 0.018 0.000 1.082 120 A CA -1.096 50.950 52.037 0.014 0.000 0.785 120 A CB -0.369 18.643 19.000 0.021 0.000 1.020 120 A HN 0.312 nan 8.150 nan 0.000 0.489 121 P HA 0.086 nan 4.420 nan 0.000 0.266 121 P C -0.058 177.260 177.300 0.031 0.000 1.195 121 P CA 0.135 63.241 63.100 0.011 0.000 0.768 121 P CB 0.436 32.133 31.700 -0.004 0.000 0.838 122 E N 1.472 121.693 120.200 0.037 0.000 2.391 122 E HA 0.010 4.360 4.350 0.001 0.000 0.255 122 E C 0.837 177.496 176.600 0.099 0.000 1.187 122 E CA -0.280 56.164 56.400 0.075 0.000 0.941 122 E CB 0.077 29.819 29.700 0.070 0.000 1.010 122 E HN 0.397 nan 8.360 nan 0.000 0.458 123 F N 1.660 121.611 119.950 0.001 0.000 2.161 123 F HA -0.233 4.295 4.527 0.001 0.000 0.300 123 F C 1.906 177.705 175.800 -0.001 0.000 1.089 123 F CA 1.743 59.744 58.000 0.000 0.000 1.282 123 F CB -0.245 38.755 39.000 0.000 0.000 1.010 123 F HN 0.257 nan 8.300 nan 0.000 0.485 124 V N -1.926 117.984 119.914 -0.007 0.000 2.720 124 V HA -0.202 3.918 4.120 0.001 0.000 0.256 124 V C 1.500 177.514 176.094 -0.134 0.000 1.082 124 V CA 1.993 64.237 62.300 -0.094 0.000 1.101 124 V CB -1.127 30.703 31.823 0.011 0.000 0.693 124 V HN 0.433 nan 8.190 nan 0.000 0.479 125 E N 0.002 120.139 120.200 -0.105 0.000 2.489 125 E HA 0.193 4.543 4.350 0.001 0.000 0.193 125 E C 0.520 177.052 176.600 -0.114 0.000 1.057 125 E CA -0.251 56.098 56.400 -0.085 0.000 0.866 125 E CB 0.045 29.719 29.700 -0.043 0.000 0.916 125 E HN 0.473 nan 8.360 nan 0.000 0.500 126 M N 0.898 120.382 119.600 -0.193 0.000 2.233 126 M HA 0.132 4.613 4.480 0.001 0.000 0.350 126 M C 0.324 176.530 176.300 -0.157 0.000 1.176 126 M CA 0.083 55.272 55.300 -0.185 0.000 1.150 126 M CB 1.211 33.646 32.600 -0.275 0.000 1.530 126 M HN -0.165 nan 8.290 nan 0.000 0.459 127 S N 1.360 116.998 115.700 -0.104 0.000 2.475 127 S HA 0.539 5.009 4.470 0.001 0.000 0.298 127 S C 0.625 175.184 174.600 -0.068 0.000 1.119 127 S CA -0.864 57.289 58.200 -0.078 0.000 1.085 127 S CB 0.874 64.042 63.200 -0.054 0.000 1.028 127 S HN 0.553 nan 8.310 nan 0.000 0.489 128 V N 1.214 121.093 119.914 -0.059 0.000 3.578 128 V HA 0.435 4.555 4.120 0.001 0.000 0.290 128 V C 0.342 176.421 176.094 -0.025 0.000 1.376 128 V CA -0.301 61.975 62.300 -0.041 0.000 1.083 128 V CB -0.477 31.322 31.823 -0.040 0.000 0.911 128 V HN 0.720 nan 8.190 nan 0.000 0.433 129 E N 3.617 123.802 120.200 -0.025 0.000 2.415 129 E HA 0.224 4.574 4.350 0.001 0.000 0.263 129 E C -0.241 176.354 176.600 -0.008 0.000 0.995 129 E CA 0.467 56.858 56.400 -0.015 0.000 0.915 129 E CB 0.662 30.353 29.700 -0.015 0.000 0.951 129 E HN 0.886 nan 8.360 nan 0.000 0.449 130 Q N 1.267 121.066 119.800 -0.002 0.000 2.483 130 Q HA 0.349 4.689 4.340 0.001 0.000 0.245 130 Q C -0.931 175.077 176.000 0.013 0.000 0.902 130 Q CA -0.645 55.162 55.803 0.007 0.000 0.767 130 Q CB 1.105 29.847 28.738 0.008 0.000 1.341 130 Q HN 0.480 nan 8.270 nan 0.000 0.453 131 E N 2.733 122.945 120.200 0.019 0.000 2.256 131 E HA 0.519 4.869 4.350 0.001 0.000 0.267 131 E C -0.740 175.885 176.600 0.042 0.000 0.892 131 E CA -1.124 55.292 56.400 0.026 0.000 0.775 131 E CB 2.311 32.025 29.700 0.023 0.000 1.207 131 E HN 0.635 nan 8.360 nan 0.000 0.420 132 I N 2.466 123.065 120.570 0.048 0.000 2.775 132 I HA -0.066 4.104 4.170 0.001 0.000 0.290 132 I C -0.807 175.353 176.117 0.072 0.000 1.203 132 I CA -0.167 61.172 61.300 0.066 0.000 1.433 132 I CB 0.410 38.453 38.000 0.073 0.000 1.354 132 I HN 0.525 nan 8.210 nan 0.000 0.579 133 L N 9.054 130.333 121.223 0.093 0.000 2.301 133 L HA 0.376 4.717 4.340 0.001 0.000 0.278 133 L C -0.675 176.244 176.870 0.081 0.000 1.022 133 L CA -0.358 54.540 54.840 0.096 0.000 0.854 133 L CB 1.145 43.279 42.059 0.126 0.000 1.226 133 L HN 0.322 nan 8.230 nan 0.000 0.429 134 V N 4.221 124.169 119.914 0.057 0.000 2.572 134 V HA 0.146 4.267 4.120 0.001 0.000 0.291 134 V C 1.491 177.595 176.094 0.018 0.000 1.039 134 V CA 0.716 63.034 62.300 0.030 0.000 1.055 134 V CB 0.881 32.723 31.823 0.032 0.000 0.969 134 V HN 0.932 nan 8.190 nan 0.000 0.482 135 T N 0.047 114.586 114.554 -0.026 0.000 3.015 135 T HA 0.255 4.605 4.350 0.001 0.000 0.250 135 T C 1.466 176.143 174.700 -0.038 0.000 1.057 135 T CA 0.721 62.803 62.100 -0.030 0.000 1.066 135 T CB 0.408 69.221 68.868 -0.092 0.000 0.959 135 T HN 1.506 nan 8.240 nan 0.000 0.488 136 G N 1.624 110.407 108.800 -0.029 0.000 2.159 136 G HA2 -0.204 3.757 3.960 0.001 0.000 0.256 136 G HA3 -0.204 3.757 3.960 0.001 0.000 0.256 136 G C -0.002 174.891 174.900 -0.011 0.000 0.977 136 G CA 0.165 45.254 45.100 -0.019 0.000 0.652 136 G HN 0.663 nan 8.290 nan 0.000 0.531 137 I N 0.847 121.405 120.570 -0.020 0.000 2.307 137 I HA 0.260 4.430 4.170 0.001 0.000 0.289 137 I C 1.563 177.692 176.117 0.020 0.000 1.021 137 I CA -0.781 60.545 61.300 0.043 0.000 1.224 137 I CB 1.303 39.337 38.000 0.055 0.000 1.376 137 I HN -0.015 nan 8.210 nan 0.000 0.470 138 K N 3.563 123.984 120.400 0.034 0.000 2.020 138 K HA -0.187 4.133 4.320 0.001 0.000 0.212 138 K C 1.847 178.440 176.600 -0.012 0.000 1.050 138 K CA 1.392 57.694 56.287 0.026 0.000 0.929 138 K CB -0.091 32.423 32.500 0.023 0.000 0.714 138 K HN 0.563 nan 8.250 nan 0.000 0.443 139 V N 1.001 120.911 119.914 -0.006 0.000 2.343 139 V HA -0.208 3.912 4.120 0.001 0.000 0.247 139 V C 2.076 178.136 176.094 -0.058 0.000 1.051 139 V CA 1.550 63.820 62.300 -0.050 0.000 1.036 139 V CB -0.016 31.807 31.823 0.000 0.000 0.654 139 V HN 0.127 nan 8.190 nan 0.000 0.451 140 V N 0.474 120.355 119.914 -0.055 0.000 2.237 140 V HA -0.222 3.899 4.120 0.001 0.000 0.245 140 V C 2.395 178.398 176.094 -0.151 0.000 1.046 140 V CA 2.522 64.732 62.300 -0.150 0.000 1.007 140 V CB -0.855 30.777 31.823 -0.318 0.000 0.638 140 V HN 0.573 nan 8.190 nan 0.000 0.445 141 D N -0.287 120.043 120.400 -0.118 0.000 2.149 141 D HA -0.155 4.485 4.640 0.001 0.000 0.198 141 D C 1.898 178.235 176.300 0.061 0.000 0.990 141 D CA 1.238 55.215 54.000 -0.039 0.000 0.839 141 D CB -0.241 40.539 40.800 -0.034 0.000 0.948 141 D HN 0.362 nan 8.370 nan 0.000 0.460 142 L N -0.245 120.968 121.223 -0.016 0.000 2.044 142 L HA -0.015 4.325 4.340 0.001 0.000 0.205 142 L C 2.008 178.941 176.870 0.105 0.000 1.075 142 L CA 1.360 56.188 54.840 -0.019 0.000 0.747 142 L CB -0.062 41.845 42.059 -0.254 0.000 0.903 142 L HN -0.017 nan 8.230 nan 0.000 0.435 143 L N -1.180 120.036 121.223 -0.011 0.000 2.316 143 L HA 0.324 4.664 4.340 0.001 0.000 0.207 143 L C 0.780 177.655 176.870 0.009 0.000 1.070 143 L CA 0.501 55.325 54.840 -0.027 0.000 0.820 143 L CB -0.096 41.919 42.059 -0.074 0.000 0.992 143 L HN 0.240 nan 8.230 nan 0.000 0.466 144 A N 0.539 123.373 122.820 0.023 0.000 3.409 144 A HA 0.443 4.763 4.320 0.001 0.000 0.282 144 A C -2.647 174.973 177.584 0.061 0.000 1.064 144 A CA -0.843 51.231 52.037 0.061 0.000 0.889 144 A CB -0.190 18.870 19.000 0.100 0.000 1.251 144 A HN -0.142 nan 8.150 nan 0.000 0.538 145 P HA 0.133 nan 4.420 nan 0.000 0.272 145 P C -0.507 176.889 177.300 0.160 0.000 1.223 145 P CA 0.410 63.514 63.100 0.007 0.000 0.784 145 P CB 0.405 32.137 31.700 0.053 0.000 0.923 146 Y N 0.042 120.374 120.300 0.054 0.000 2.300 146 Y HA 0.449 4.999 4.550 0.001 0.000 0.328 146 Y C 1.097 177.013 175.900 0.028 0.000 1.270 146 Y CA -1.270 56.853 58.100 0.038 0.000 1.352 146 Y CB 0.900 39.381 38.460 0.035 0.000 1.286 146 Y HN 0.372 nan 8.280 nan 0.000 0.536 147 A N 2.331 125.260 122.820 0.182 0.000 2.350 147 A HA 0.452 4.772 4.320 0.001 0.000 0.324 147 A C -0.965 176.653 177.584 0.056 0.000 1.118 147 A CA -1.124 50.968 52.037 0.093 0.000 0.783 147 A CB 0.816 19.851 19.000 0.059 0.000 1.236 147 A HN 0.760 nan 8.150 nan 0.000 0.457 148 K N 0.732 121.159 120.400 0.044 0.000 2.412 148 K HA 0.376 4.696 4.320 0.001 0.000 0.281 148 K C 1.125 177.723 176.600 -0.003 0.000 1.027 148 K CA 1.155 57.454 56.287 0.020 0.000 0.989 148 K CB 0.385 32.902 32.500 0.028 0.000 0.935 148 K HN 1.513 nan 8.250 nan 0.000 0.475 149 G N 1.916 110.699 108.800 -0.028 0.000 2.168 149 G HA2 -0.259 3.702 3.960 0.001 0.000 0.263 149 G HA3 -0.259 3.702 3.960 0.001 0.000 0.263 149 G C 0.441 175.312 174.900 -0.047 0.000 0.977 149 G CA 0.065 45.141 45.100 -0.039 0.000 0.659 149 G HN 0.856 nan 8.290 nan 0.000 0.533 150 G N -0.781 107.989 108.800 -0.049 0.000 2.511 150 G HA2 0.599 4.560 3.960 0.001 0.000 0.316 150 G HA3 0.599 4.560 3.960 0.001 0.000 0.316 150 G C -0.223 174.624 174.900 -0.089 0.000 1.210 150 G CA -0.768 44.304 45.100 -0.047 0.000 0.969 150 G HN 0.333 nan 8.290 nan 0.000 0.492 151 K N 0.270 120.626 120.400 -0.074 0.000 2.263 151 K HA 0.405 4.726 4.320 0.001 0.000 0.272 151 K C -0.831 175.694 176.600 -0.124 0.000 1.033 151 K CA -0.130 56.097 56.287 -0.101 0.000 0.884 151 K CB 1.657 34.124 32.500 -0.054 0.000 1.107 151 K HN 0.251 nan 8.250 nan 0.000 0.460 152 I N 1.507 121.946 120.570 -0.218 0.000 2.404 152 I HA 0.337 4.507 4.170 0.001 0.000 0.293 152 I C 0.361 176.331 176.117 -0.245 0.000 0.992 152 I CA -0.585 60.529 61.300 -0.311 0.000 1.149 152 I CB 2.104 39.712 38.000 -0.653 0.000 1.315 152 I HN 0.596 nan 8.210 nan 0.000 0.446 153 G N 6.632 115.333 108.800 -0.163 0.000 2.530 153 G HA2 0.713 4.674 3.960 0.001 0.000 0.316 153 G HA3 0.713 4.674 3.960 0.001 0.000 0.316 153 G C -0.957 173.855 174.900 -0.145 0.000 1.298 153 G CA -0.534 44.426 45.100 -0.232 0.000 0.948 153 G HN 0.467 nan 8.290 nan 0.000 0.486 154 L N 2.364 123.455 121.223 -0.220 0.000 2.313 154 L HA 0.422 4.762 4.340 0.001 0.000 0.273 154 L C -0.776 176.015 176.870 -0.131 0.000 1.028 154 L CA -0.612 54.202 54.840 -0.043 0.000 0.871 154 L CB 0.572 42.649 42.059 0.031 0.000 1.242 154 L HN 0.315 nan 8.230 nan 0.000 0.434 155 F N 1.268 121.211 119.950 -0.010 0.000 2.389 155 F HA 0.733 5.260 4.527 0.000 0.000 0.337 155 F C 1.080 176.879 175.800 -0.002 0.000 1.112 155 F CA -0.197 57.778 58.000 -0.042 0.000 1.192 155 F CB 1.752 40.710 39.000 -0.071 0.000 1.185 155 F HN 0.439 nan 8.300 nan 0.000 0.552 156 G N 0.664 109.545 108.800 0.134 0.000 2.596 156 G HA2 0.469 4.429 3.960 0.001 0.000 0.296 156 G HA3 0.469 4.429 3.960 0.001 0.000 0.296 156 G C -0.693 174.171 174.900 -0.059 0.000 1.513 156 G CA -0.416 44.724 45.100 0.066 0.000 0.851 156 G HN 0.920 nan 8.290 nan 0.000 0.548 157 G N -0.327 108.419 108.800 -0.090 0.000 2.683 157 G HA2 0.635 4.596 3.960 0.001 0.000 0.260 157 G HA3 0.635 4.596 3.960 0.001 0.000 0.260 157 G C 0.836 175.730 174.900 -0.010 0.000 1.238 157 G CA 0.421 45.409 45.100 -0.186 0.000 0.934 157 G HN 1.772 nan 8.290 nan 0.000 0.534 158 A N -1.039 121.836 122.820 0.092 0.000 2.522 158 A HA 0.514 4.834 4.320 0.001 0.000 0.256 158 A C 1.512 179.170 177.584 0.123 0.000 1.086 158 A CA 1.064 53.243 52.037 0.236 0.000 0.763 158 A CB -0.718 18.446 19.000 0.275 0.000 1.024 158 A HN 2.575 nan 8.150 nan 0.000 0.502 159 G N 0.957 109.825 108.800 0.113 0.000 2.160 159 G HA2 -0.155 3.805 3.960 0.001 0.000 0.244 159 G HA3 -0.155 3.805 3.960 0.001 0.000 0.244 159 G C 0.683 175.628 174.900 0.075 0.000 1.022 159 G CA 0.773 45.915 45.100 0.070 0.000 0.741 159 G HN 2.168 nan 8.290 nan 0.000 0.508 160 V N -3.674 116.296 119.914 0.092 0.000 3.471 160 V HA 0.667 4.787 4.120 0.001 0.000 0.258 160 V C 1.665 177.854 176.094 0.158 0.000 1.192 160 V CA 1.412 63.783 62.300 0.119 0.000 1.116 160 V CB 0.466 32.339 31.823 0.084 0.000 0.792 160 V HN 2.125 nan 8.190 nan 0.000 0.459 161 G N 0.306 109.177 108.800 0.118 0.000 2.174 161 G HA2 -0.148 3.812 3.960 0.001 0.000 0.140 161 G HA3 -0.148 3.812 3.960 0.001 0.000 0.140 161 G C 0.521 175.505 174.900 0.140 0.000 1.031 161 G CA 0.157 45.327 45.100 0.117 0.000 0.728 161 G HN 0.400 nan 8.290 nan 0.000 0.496 162 K N -0.054 120.423 120.400 0.128 0.000 2.009 162 K HA -0.086 4.235 4.320 0.001 0.000 0.210 162 K C 2.509 179.191 176.600 0.137 0.000 1.049 162 K CA 2.022 58.386 56.287 0.128 0.000 0.929 162 K CB -0.252 32.313 32.500 0.108 0.000 0.714 162 K HN 0.293 nan 8.250 nan 0.000 0.440 163 T N 1.042 115.674 114.554 0.130 0.000 2.770 163 T HA -0.080 4.270 4.350 0.001 0.000 0.263 163 T C 2.069 176.857 174.700 0.146 0.000 1.039 163 T CA 0.998 63.184 62.100 0.143 0.000 1.142 163 T CB -0.176 68.775 68.868 0.139 0.000 0.868 163 T HN -0.064 nan 8.240 nan 0.000 0.435 164 V N 1.748 121.748 119.914 0.143 0.000 2.324 164 V HA -0.152 3.968 4.120 0.001 0.000 0.250 164 V C 2.413 178.649 176.094 0.236 0.000 1.060 164 V CA 1.490 63.904 62.300 0.190 0.000 1.042 164 V CB -0.662 31.259 31.823 0.163 0.000 0.650 164 V HN 0.329 nan 8.190 nan 0.000 0.450 165 L N -0.308 121.070 121.223 0.260 0.000 2.027 165 L HA -0.108 4.232 4.340 0.001 0.000 0.206 165 L C 2.133 179.084 176.870 0.135 0.000 1.074 165 L CA 1.779 56.780 54.840 0.268 0.000 0.745 165 L CB -0.554 41.688 42.059 0.304 0.000 0.898 165 L HN 0.252 nan 8.230 nan 0.000 0.433 166 I N -1.197 119.456 120.570 0.138 0.000 2.286 166 I HA -0.315 3.856 4.170 0.001 0.000 0.248 166 I C 2.095 178.213 176.117 0.002 0.000 1.115 166 I CA 1.072 62.440 61.300 0.113 0.000 1.392 166 I CB 0.040 38.137 38.000 0.162 0.000 1.065 166 I HN 0.313 nan 8.210 nan 0.000 0.418 167 M N -0.311 119.300 119.600 0.019 0.000 2.175 167 M HA -0.193 4.287 4.480 0.001 0.000 0.264 167 M C 2.129 178.374 176.300 -0.091 0.000 1.063 167 M CA 1.505 56.777 55.300 -0.046 0.000 1.119 167 M CB -1.432 31.176 32.600 0.012 0.000 1.377 167 M HN 0.172 nan 8.290 nan 0.000 0.415 168 E N 0.834 120.976 120.200 -0.097 0.000 2.110 168 E HA -0.091 4.259 4.350 0.001 0.000 0.193 168 E C 2.053 178.528 176.600 -0.209 0.000 0.988 168 E CA 1.095 57.346 56.400 -0.248 0.000 0.804 168 E CB -0.287 29.018 29.700 -0.658 0.000 0.745 168 E HN 0.483 nan 8.360 nan 0.000 0.458 169 L N -0.020 121.133 121.223 -0.116 0.000 2.046 169 L HA -0.141 4.200 4.340 0.001 0.000 0.208 169 L C 2.448 179.294 176.870 -0.041 0.000 1.077 169 L CA 1.036 55.874 54.840 -0.004 0.000 0.747 169 L CB -0.375 41.784 42.059 0.167 0.000 0.896 169 L HN 0.217 nan 8.230 nan 0.000 0.432 170 I N 0.003 120.434 120.570 -0.232 0.000 2.264 170 I HA -0.322 3.849 4.170 0.001 0.000 0.248 170 I C 2.269 178.300 176.117 -0.144 0.000 1.111 170 I CA 1.520 62.611 61.300 -0.350 0.000 1.382 170 I CB -0.339 37.348 38.000 -0.522 0.000 1.060 170 I HN 0.349 nan 8.210 nan 0.000 0.418 171 N N 0.903 119.530 118.700 -0.123 0.000 2.142 171 N HA -0.162 4.579 4.740 0.001 0.000 0.186 171 N C 1.527 177.004 175.510 -0.054 0.000 1.023 171 N CA 1.461 54.462 53.050 -0.083 0.000 0.852 171 N CB 0.026 38.459 38.487 -0.091 0.000 0.998 171 N HN 0.178 nan 8.380 nan 0.000 0.424 172 N N -1.155 117.509 118.700 -0.060 0.000 2.415 172 N HA 0.054 4.794 4.740 0.001 0.000 0.176 172 N C 0.958 176.476 175.510 0.013 0.000 1.042 172 N CA 0.476 53.504 53.050 -0.035 0.000 0.902 172 N CB 0.493 38.938 38.487 -0.069 0.000 0.986 172 N HN 0.126 nan 8.380 nan 0.000 0.447 173 V N -0.640 119.301 119.914 0.045 0.000 2.996 173 V HA 0.302 4.422 4.120 0.001 0.000 0.235 173 V C 1.889 178.051 176.094 0.113 0.000 1.205 173 V CA 0.925 63.279 62.300 0.091 0.000 1.225 173 V CB -0.237 31.669 31.823 0.138 0.000 0.995 173 V HN 0.144 nan 8.190 nan 0.000 0.484 174 A N -0.104 122.788 122.820 0.119 0.000 1.975 174 A HA -0.045 4.275 4.320 0.001 0.000 0.215 174 A C 2.096 179.755 177.584 0.126 0.000 1.170 174 A CA 1.150 53.278 52.037 0.151 0.000 0.656 174 A CB -0.278 18.820 19.000 0.163 0.000 0.821 174 A HN 0.438 nan 8.150 nan 0.000 0.449 175 K N -0.360 120.078 120.400 0.062 0.000 2.283 175 K HA 0.012 4.332 4.320 0.001 0.000 0.202 175 K C 1.014 177.644 176.600 0.049 0.000 1.048 175 K CA 0.967 57.278 56.287 0.040 0.000 0.948 175 K CB -0.107 32.398 32.500 0.007 0.000 0.742 175 K HN 0.397 nan 8.250 nan 0.000 0.458 176 A N 0.844 123.704 122.820 0.068 0.000 2.701 176 A HA 0.078 4.398 4.320 0.001 0.000 0.297 176 A C -0.710 176.930 177.584 0.092 0.000 1.197 176 A CA -0.412 51.658 52.037 0.056 0.000 0.963 176 A CB -0.270 18.753 19.000 0.038 0.000 1.175 176 A HN 0.198 nan 8.150 nan 0.000 0.531 177 H N -0.969 118.103 119.070 0.003 0.000 2.487 177 H HA 0.505 5.062 4.556 0.001 0.000 0.333 177 H C 1.300 176.598 175.328 -0.051 0.000 1.114 177 H CA 0.386 56.430 56.048 -0.008 0.000 1.310 177 H CB 1.517 31.291 29.762 0.020 0.000 1.462 177 H HN 0.073 nan 8.280 nan 0.000 0.516 178 G N 2.285 110.688 108.800 -0.662 0.000 2.985 178 G HA2 0.238 4.198 3.960 0.001 0.000 0.209 178 G HA3 0.238 4.198 3.960 0.001 0.000 0.209 178 G C 0.627 175.094 174.900 -0.721 0.000 1.165 178 G CA 0.428 45.205 45.100 -0.540 0.000 0.776 178 G HN 0.800 nan 8.290 nan 0.000 0.541 179 G N -1.002 107.065 108.800 -1.221 0.000 3.264 179 G HA2 0.566 4.526 3.960 0.001 0.000 0.168 179 G HA3 0.566 4.526 3.960 0.001 0.000 0.168 179 G C -1.294 173.284 174.900 -0.537 0.000 1.145 179 G CA -0.992 43.612 45.100 -0.826 0.000 0.855 179 G HN 0.103 nan 8.290 nan 0.000 0.629 180 Y N -0.243 120.036 120.300 -0.035 0.000 2.457 180 Y HA 0.653 5.204 4.550 0.000 0.000 0.333 180 Y C 0.417 176.341 175.900 0.041 0.000 1.119 180 Y CA -0.703 57.327 58.100 -0.116 0.000 1.143 180 Y CB 2.445 40.556 38.460 -0.581 0.000 1.230 180 Y HN 0.290 nan 8.280 nan 0.000 0.469 181 S N 1.096 116.929 115.700 0.221 0.000 2.536 181 S HA 0.688 5.158 4.470 0.001 0.000 0.298 181 S C -1.123 173.608 174.600 0.218 0.000 1.083 181 S CA -0.814 57.516 58.200 0.216 0.000 0.995 181 S CB 1.824 65.215 63.200 0.318 0.000 1.058 181 S HN 0.336 nan 8.310 nan 0.000 0.488 182 V N 3.001 123.047 119.914 0.220 0.000 2.487 182 V HA 0.489 4.610 4.120 0.001 0.000 0.298 182 V C -1.090 175.162 176.094 0.264 0.000 1.028 182 V CA -0.654 61.779 62.300 0.223 0.000 0.860 182 V CB 1.178 33.104 31.823 0.171 0.000 0.991 182 V HN 0.852 nan 8.190 nan 0.000 0.427 183 F N 4.123 124.150 119.950 0.128 0.000 2.427 183 F HA 0.776 5.303 4.527 0.001 0.000 0.346 183 F C 0.295 176.037 175.800 -0.097 0.000 1.120 183 F CA -0.493 57.554 58.000 0.078 0.000 1.033 183 F CB 1.295 40.339 39.000 0.074 0.000 1.126 183 F HN 0.541 nan 8.300 nan 0.000 0.462 184 A N 4.773 127.289 122.820 -0.507 0.000 2.277 184 A HA 0.597 4.917 4.320 0.001 0.000 0.318 184 A C -0.011 177.208 177.584 -0.609 0.000 1.339 184 A CA -0.390 51.388 52.037 -0.432 0.000 0.875 184 A CB 0.137 18.963 19.000 -0.291 0.000 1.158 184 A HN 1.018 nan 8.150 nan 0.000 0.514 185 G N 1.333 109.751 108.800 -0.638 0.000 2.365 185 G HA2 0.484 4.445 3.960 0.001 0.000 0.293 185 G HA3 0.484 4.445 3.960 0.001 0.000 0.293 185 G C -0.520 174.294 174.900 -0.143 0.000 1.128 185 G CA -0.065 44.810 45.100 -0.375 0.000 0.971 185 G HN 0.723 nan 8.290 nan 0.000 0.422 186 V N 2.834 122.706 119.914 -0.070 0.000 2.349 186 V HA 0.585 4.705 4.120 0.001 0.000 0.284 186 V C 1.077 177.192 176.094 0.035 0.000 1.014 186 V CA 0.240 62.528 62.300 -0.019 0.000 0.826 186 V CB 0.825 32.622 31.823 -0.045 0.000 1.009 186 V HN 1.349 nan 8.190 nan 0.000 0.431 187 G N 3.346 112.178 108.800 0.053 0.000 2.225 187 G HA2 -0.195 3.766 3.960 0.001 0.000 0.267 187 G HA3 -0.195 3.766 3.960 0.001 0.000 0.267 187 G C 0.200 175.141 174.900 0.069 0.000 1.024 187 G CA 0.540 45.672 45.100 0.053 0.000 0.784 187 G HN 0.580 nan 8.290 nan 0.000 0.507 188 E N -0.663 119.600 120.200 0.105 0.000 2.819 188 E HA 0.475 4.825 4.350 0.001 0.000 0.241 188 E C 0.921 177.594 176.600 0.121 0.000 0.987 188 E CA -0.889 55.581 56.400 0.116 0.000 1.024 188 E CB 0.497 30.289 29.700 0.152 0.000 1.448 188 E HN 0.405 nan 8.360 nan 0.000 0.484 189 R N 0.209 120.782 120.500 0.123 0.000 2.340 189 R HA 0.220 4.560 4.340 0.001 0.000 0.300 189 R C 1.148 177.509 176.300 0.102 0.000 1.069 189 R CA 0.040 56.197 56.100 0.096 0.000 0.984 189 R CB 0.355 30.705 30.300 0.083 0.000 1.003 189 R HN 0.391 nan 8.270 nan 0.000 0.459 190 T N 1.887 116.478 114.554 0.062 0.000 2.788 190 T HA -0.167 4.183 4.350 0.001 0.000 0.268 190 T C 1.742 176.439 174.700 -0.003 0.000 1.044 190 T CA 1.124 63.234 62.100 0.016 0.000 1.139 190 T CB -0.122 68.746 68.868 -0.000 0.000 0.867 190 T HN 0.526 nan 8.240 nan 0.000 0.454 191 R N 1.140 121.655 120.500 0.024 0.000 2.105 191 R HA -0.140 4.200 4.340 0.001 0.000 0.239 191 R C 2.147 178.470 176.300 0.037 0.000 1.135 191 R CA 1.634 57.751 56.100 0.028 0.000 0.967 191 R CB -0.124 30.199 30.300 0.038 0.000 0.861 191 R HN 0.507 nan 8.270 nan 0.000 0.442 192 E N -1.127 119.109 120.200 0.061 0.000 2.150 192 E HA -0.109 4.241 4.350 0.001 0.000 0.193 192 E C 1.846 178.475 176.600 0.048 0.000 0.985 192 E CA 0.981 57.428 56.400 0.079 0.000 0.814 192 E CB -0.127 29.652 29.700 0.132 0.000 0.752 192 E HN 0.576 nan 8.360 nan 0.000 0.466 193 G N 1.185 109.983 108.800 -0.003 0.000 2.402 193 G HA2 -0.332 3.629 3.960 0.001 0.000 0.216 193 G HA3 -0.332 3.629 3.960 0.001 0.000 0.216 193 G C 1.439 176.213 174.900 -0.211 0.000 1.162 193 G CA 1.001 45.935 45.100 -0.276 0.000 0.777 193 G HN 0.193 nan 8.290 nan 0.000 0.539 194 N N 0.568 119.217 118.700 -0.086 0.000 2.142 194 N HA -0.090 4.650 4.740 0.001 0.000 0.186 194 N C 1.723 177.328 175.510 0.158 0.000 1.023 194 N CA 1.535 54.628 53.050 0.072 0.000 0.852 194 N CB -0.118 38.424 38.487 0.093 0.000 0.998 194 N HN 0.117 nan 8.380 nan 0.000 0.424 195 D N 0.012 120.458 120.400 0.076 0.000 2.092 195 D HA -0.159 4.481 4.640 0.001 0.000 0.193 195 D C 1.848 178.172 176.300 0.040 0.000 0.994 195 D CA 0.776 54.813 54.000 0.061 0.000 0.828 195 D CB -0.512 40.310 40.800 0.037 0.000 0.963 195 D HN 0.238 nan 8.370 nan 0.000 0.450 196 L N -0.171 121.049 121.223 -0.005 0.000 2.056 196 L HA -0.152 4.188 4.340 0.001 0.000 0.207 196 L C 2.170 179.025 176.870 -0.025 0.000 1.078 196 L CA 1.450 56.249 54.840 -0.067 0.000 0.749 196 L CB -0.859 41.084 42.059 -0.193 0.000 0.901 196 L HN 0.052 nan 8.230 nan 0.000 0.433 197 Y N -0.310 119.904 120.300 -0.144 0.000 2.114 197 Y HA -0.279 4.271 4.550 0.001 0.000 0.284 197 Y C 2.749 178.528 175.900 -0.202 0.000 1.143 197 Y CA 2.199 60.184 58.100 -0.192 0.000 1.135 197 Y CB -0.534 37.760 38.460 -0.277 0.000 0.980 197 Y HN 0.361 nan 8.280 nan 0.000 0.499 198 H N -0.152 118.818 119.070 -0.166 0.000 2.462 198 H HA -0.067 4.489 4.556 0.001 0.000 0.292 198 H C 1.999 177.226 175.328 -0.168 0.000 1.049 198 H CA 1.549 57.459 56.048 -0.229 0.000 1.334 198 H CB 0.059 29.751 29.762 -0.115 0.000 1.404 198 H HN 0.575 nan 8.280 nan 0.000 0.544 199 E N 0.264 120.453 120.200 -0.018 0.000 2.072 199 E HA -0.087 4.263 4.350 0.001 0.000 0.191 199 E C 2.095 178.652 176.600 -0.073 0.000 0.985 199 E CA 0.572 56.947 56.400 -0.042 0.000 0.801 199 E CB 0.090 29.765 29.700 -0.042 0.000 0.750 199 E HN 0.350 nan 8.360 nan 0.000 0.452 200 M N 0.086 119.626 119.600 -0.100 0.000 2.394 200 M HA -0.060 4.420 4.480 0.001 0.000 0.264 200 M C 1.967 178.196 176.300 -0.118 0.000 1.073 200 M CA 0.917 56.161 55.300 -0.093 0.000 1.111 200 M CB 0.032 32.590 32.600 -0.071 0.000 1.401 200 M HN 0.134 nan 8.290 nan 0.000 0.448 201 I N -0.387 120.069 120.570 -0.191 0.000 2.286 201 I HA -0.210 3.961 4.170 0.001 0.000 0.245 201 I C 2.345 178.401 176.117 -0.103 0.000 1.104 201 I CA 1.005 62.193 61.300 -0.187 0.000 1.397 201 I CB -0.248 37.574 38.000 -0.298 0.000 1.072 201 I HN 0.190 nan 8.210 nan 0.000 0.417 202 E N 0.952 121.104 120.200 -0.081 0.000 2.150 202 E HA -0.186 4.165 4.350 0.001 0.000 0.193 202 E C 2.214 178.787 176.600 -0.045 0.000 0.985 202 E CA 1.573 57.942 56.400 -0.051 0.000 0.814 202 E CB -0.027 29.649 29.700 -0.041 0.000 0.752 202 E HN 0.470 nan 8.360 nan 0.000 0.466 203 S N -1.988 113.683 115.700 -0.049 0.000 2.478 203 S HA 0.186 4.656 4.470 0.001 0.000 0.222 203 S C 1.728 176.309 174.600 -0.032 0.000 1.008 203 S CA 0.622 58.799 58.200 -0.037 0.000 0.928 203 S CB 0.326 63.504 63.200 -0.037 0.000 0.781 203 S HN 0.443 nan 8.310 nan 0.000 0.518 204 G N 0.376 109.153 108.800 -0.039 0.000 2.175 204 G HA2 -0.278 3.682 3.960 0.001 0.000 0.244 204 G HA3 -0.278 3.682 3.960 0.001 0.000 0.244 204 G C 0.728 175.618 174.900 -0.017 0.000 0.982 204 G CA 0.221 45.303 45.100 -0.029 0.000 0.641 204 G HN 0.650 nan 8.290 nan 0.000 0.527 205 V N 0.427 120.331 119.914 -0.015 0.000 2.626 205 V HA 0.164 4.284 4.120 0.001 0.000 0.252 205 V C 1.534 177.635 176.094 0.013 0.000 1.067 205 V CA 1.679 63.983 62.300 0.006 0.000 1.081 205 V CB -0.175 31.654 31.823 0.010 0.000 0.686 205 V HN 0.508 nan 8.190 nan 0.000 0.468 206 I N 1.020 121.580 120.570 -0.015 0.000 2.378 206 I HA 0.356 4.526 4.170 0.001 0.000 0.291 206 I C -0.330 175.766 176.117 -0.036 0.000 0.992 206 I CA -0.147 61.144 61.300 -0.014 0.000 1.154 206 I CB 1.495 39.475 38.000 -0.032 0.000 1.315 206 I HN 0.116 nan 8.210 nan 0.000 0.448 207 N N 6.779 125.472 118.700 -0.013 0.000 2.399 207 N HA 0.357 5.097 4.740 0.001 0.000 0.280 207 N C 0.105 175.610 175.510 -0.008 0.000 1.008 207 N CA -0.440 52.600 53.050 -0.017 0.000 0.894 207 N CB 2.084 40.568 38.487 -0.005 0.000 1.273 207 N HN 0.586 nan 8.380 nan 0.000 0.486 208 L N 2.323 123.534 121.223 -0.019 0.000 2.591 208 L HA 0.125 4.466 4.340 0.001 0.000 0.228 208 L C 1.421 178.294 176.870 0.004 0.000 1.133 208 L CA 0.475 55.314 54.840 -0.003 0.000 0.880 208 L CB 0.048 42.100 42.059 -0.013 0.000 1.033 208 L HN 0.311 nan 8.230 nan 0.000 0.450 209 K N -0.471 119.930 120.400 0.001 0.000 2.462 209 K HA 0.160 4.480 4.320 0.001 0.000 0.201 209 K C 0.155 176.758 176.600 0.006 0.000 1.268 209 K CA 0.344 56.633 56.287 0.003 0.000 0.933 209 K CB 0.483 32.983 32.500 -0.000 0.000 1.162 209 K HN 0.331 nan 8.250 nan 0.000 0.527 210 D N -1.111 119.293 120.400 0.006 0.000 2.621 210 D HA 0.426 5.066 4.640 0.001 0.000 0.255 210 D C -0.127 176.182 176.300 0.015 0.000 1.122 210 D CA -0.826 53.180 54.000 0.010 0.000 1.096 210 D CB 0.645 41.450 40.800 0.009 0.000 1.282 210 D HN -0.123 nan 8.370 nan 0.000 0.619 211 A N -0.747 122.084 122.820 0.019 0.000 2.577 211 A HA 0.272 4.592 4.320 0.001 0.000 0.280 211 A C 1.072 178.678 177.584 0.036 0.000 1.331 211 A CA 0.220 52.272 52.037 0.026 0.000 0.935 211 A CB -1.070 17.946 19.000 0.026 0.000 1.082 211 A HN 0.582 nan 8.150 nan 0.000 0.525 212 T N -2.704 111.868 114.554 0.031 0.000 3.188 212 T HA 0.162 4.512 4.350 0.001 0.000 0.250 212 T C 0.604 175.331 174.700 0.045 0.000 1.077 212 T CA 0.165 62.287 62.100 0.036 0.000 0.967 212 T CB -0.416 68.464 68.868 0.021 0.000 1.006 212 T HN 0.145 nan 8.240 nan 0.000 0.552 213 S N 1.690 117.418 115.700 0.046 0.000 2.549 213 S HA 0.216 4.686 4.470 0.001 0.000 0.286 213 S C 0.959 175.609 174.600 0.084 0.000 1.314 213 S CA -0.431 57.801 58.200 0.052 0.000 1.062 213 S CB 0.938 64.166 63.200 0.047 0.000 0.865 213 S HN 0.501 nan 8.310 nan 0.000 0.498 214 K N 1.166 121.622 120.400 0.094 0.000 2.367 214 K HA 0.221 4.541 4.320 0.001 0.000 0.195 214 K C -0.492 176.197 176.600 0.149 0.000 1.060 214 K CA 0.230 56.604 56.287 0.146 0.000 1.022 214 K CB 0.663 33.228 32.500 0.110 0.000 0.894 214 K HN 0.323 nan 8.250 nan 0.000 0.540 215 V N 1.392 121.376 119.914 0.117 0.000 2.540 215 V HA 0.522 4.643 4.120 0.001 0.000 0.302 215 V C -0.850 175.327 176.094 0.137 0.000 1.035 215 V CA -1.197 61.187 62.300 0.140 0.000 0.873 215 V CB 1.575 33.487 31.823 0.148 0.000 0.992 215 V HN 0.119 nan 8.190 nan 0.000 0.428 216 A N 5.851 128.770 122.820 0.165 0.000 2.292 216 A HA 0.878 5.198 4.320 0.001 0.000 0.319 216 A C -0.805 176.898 177.584 0.198 0.000 1.206 216 A CA -0.460 51.683 52.037 0.176 0.000 0.835 216 A CB 0.566 19.704 19.000 0.229 0.000 1.164 216 A HN 0.801 nan 8.150 nan 0.000 0.505 217 L N 2.776 124.113 121.223 0.190 0.000 2.329 217 L HA 0.658 4.999 4.340 0.001 0.000 0.279 217 L C -0.875 176.112 176.870 0.196 0.000 1.014 217 L CA -0.862 54.126 54.840 0.247 0.000 0.814 217 L CB 1.873 44.137 42.059 0.340 0.000 1.257 217 L HN 0.412 nan 8.230 nan 0.000 0.424 218 V N 2.999 122.985 119.914 0.121 0.000 2.577 218 V HA 0.480 4.600 4.120 0.001 0.000 0.303 218 V C -1.314 174.746 176.094 -0.056 0.000 1.042 218 V CA -0.656 61.682 62.300 0.063 0.000 0.872 218 V CB 1.893 33.716 31.823 -0.001 0.000 0.998 218 V HN 0.454 nan 8.190 nan 0.000 0.423 219 Y N 1.521 121.852 120.300 0.052 0.000 2.457 219 Y HA 0.758 5.308 4.550 0.001 0.000 0.343 219 Y C 0.467 176.387 175.900 0.032 0.000 0.994 219 Y CA -0.655 57.479 58.100 0.058 0.000 1.031 219 Y CB 2.873 41.362 38.460 0.048 0.000 1.246 219 Y HN 0.717 nan 8.280 nan 0.000 0.449 220 G N 3.660 112.563 108.800 0.172 0.000 2.975 220 G HA2 0.370 4.330 3.960 0.001 0.000 0.299 220 G HA3 0.370 4.330 3.960 0.001 0.000 0.299 220 G C -1.136 173.832 174.900 0.113 0.000 1.587 220 G CA -0.565 44.603 45.100 0.113 0.000 1.052 220 G HN 0.290 nan 8.290 nan 0.000 0.545 221 Q N 1.282 121.161 119.800 0.132 0.000 2.189 221 Q HA 0.288 4.629 4.340 0.001 0.000 0.193 221 Q C 1.991 178.034 176.000 0.073 0.000 1.034 221 Q CA -0.771 55.106 55.803 0.125 0.000 1.062 221 Q CB 0.787 29.612 28.738 0.145 0.000 1.118 221 Q HN 0.756 nan 8.270 nan 0.000 0.569 222 M N -0.156 119.481 119.600 0.063 0.000 2.686 222 M HA -0.008 4.472 4.480 0.001 0.000 0.246 222 M C 0.612 176.930 176.300 0.030 0.000 1.096 222 M CA 0.962 56.285 55.300 0.038 0.000 1.076 222 M CB -0.349 32.269 32.600 0.031 0.000 1.504 222 M HN 0.331 nan 8.290 nan 0.000 0.524 223 N N 0.323 119.044 118.700 0.034 0.000 2.412 223 N HA 0.018 4.758 4.740 0.001 0.000 0.184 223 N C -0.242 175.281 175.510 0.021 0.000 1.101 223 N CA 0.373 53.438 53.050 0.025 0.000 0.881 223 N CB -0.134 38.368 38.487 0.024 0.000 0.969 223 N HN 0.435 nan 8.380 nan 0.000 0.459 224 E N 1.882 122.097 120.200 0.025 0.000 2.283 224 E HA 0.357 4.708 4.350 0.001 0.000 0.271 224 E C -2.218 174.389 176.600 0.012 0.000 1.031 224 E CA -2.010 54.403 56.400 0.021 0.000 0.868 224 E CB 1.016 30.733 29.700 0.029 0.000 1.094 224 E HN 0.198 nan 8.360 nan 0.000 0.401 225 P HA 0.061 nan 4.420 nan 0.000 0.272 225 P C -1.977 175.320 177.300 -0.005 0.000 1.240 225 P CA -1.080 62.020 63.100 0.001 0.000 0.791 225 P CB 0.175 31.876 31.700 0.002 0.000 0.978 226 P HA -0.160 nan 4.420 nan 0.000 0.218 226 P C 1.663 178.943 177.300 -0.033 0.000 1.148 226 P CA 1.803 64.883 63.100 -0.033 0.000 0.822 226 P CB -0.650 31.025 31.700 -0.042 0.000 0.784 227 G N 0.695 109.485 108.800 -0.017 0.000 2.446 227 G HA2 -0.248 3.712 3.960 0.001 0.000 0.217 227 G HA3 -0.248 3.712 3.960 0.001 0.000 0.217 227 G C 1.818 176.720 174.900 0.003 0.000 1.168 227 G CA 1.195 46.290 45.100 -0.007 0.000 0.771 227 G HN 0.362 nan 8.290 nan 0.000 0.551 228 A N 0.872 123.697 122.820 0.008 0.000 1.865 228 A HA -0.057 4.264 4.320 0.001 0.000 0.217 228 A C 2.442 180.035 177.584 0.016 0.000 1.191 228 A CA 1.763 53.810 52.037 0.017 0.000 0.623 228 A CB -0.455 18.558 19.000 0.021 0.000 0.826 228 A HN 0.355 nan 8.150 nan 0.000 0.444 229 R N -0.692 119.812 120.500 0.005 0.000 2.152 229 R HA -0.033 4.308 4.340 0.001 0.000 0.232 229 R C 2.292 178.592 176.300 -0.001 0.000 1.117 229 R CA 0.999 57.100 56.100 0.003 0.000 0.981 229 R CB -0.374 29.918 30.300 -0.014 0.000 0.870 229 R HN 0.527 nan 8.270 nan 0.000 0.451 230 A N 0.619 123.419 122.820 -0.033 0.000 2.066 230 A HA -0.053 4.267 4.320 0.001 0.000 0.218 230 A C 1.829 179.448 177.584 0.059 0.000 1.157 230 A CA 0.937 52.929 52.037 -0.074 0.000 0.670 230 A CB 0.064 18.985 19.000 -0.132 0.000 0.804 230 A HN 0.072 nan 8.150 nan 0.000 0.453 231 R N -0.886 119.646 120.500 0.054 0.000 2.287 231 R HA 0.050 4.391 4.340 0.001 0.000 0.197 231 R C 2.043 178.356 176.300 0.022 0.000 0.900 231 R CA 1.194 57.324 56.100 0.050 0.000 1.052 231 R CB -1.020 29.299 30.300 0.030 0.000 1.117 231 R HN 0.536 nan 8.270 nan 0.000 0.568 232 V N -0.331 119.596 119.914 0.022 0.000 2.439 232 V HA -0.213 3.907 4.120 0.001 0.000 0.253 232 V C 2.215 178.288 176.094 -0.036 0.000 1.074 232 V CA 2.085 64.383 62.300 -0.003 0.000 1.076 232 V CB -1.107 30.720 31.823 0.007 0.000 0.664 232 V HN 0.158 nan 8.190 nan 0.000 0.461 233 A N 0.670 123.474 122.820 -0.025 0.000 1.930 233 A HA 0.043 4.364 4.320 0.001 0.000 0.217 233 A C 2.243 179.752 177.584 -0.125 0.000 1.175 233 A CA 1.919 53.896 52.037 -0.099 0.000 0.627 233 A CB -0.562 18.354 19.000 -0.140 0.000 0.815 233 A HN 0.595 nan 8.150 nan 0.000 0.443 234 L N -0.668 120.496 121.223 -0.100 0.000 2.083 234 L HA -0.151 4.189 4.340 0.001 0.000 0.209 234 L C 2.747 179.547 176.870 -0.118 0.000 1.083 234 L CA 1.750 56.507 54.840 -0.138 0.000 0.752 234 L CB -1.201 40.741 42.059 -0.195 0.000 0.899 234 L HN 0.346 nan 8.230 nan 0.000 0.433 235 T N -0.049 114.452 114.554 -0.087 0.000 2.674 235 T HA -0.134 4.217 4.350 0.001 0.000 0.265 235 T C 1.901 176.564 174.700 -0.061 0.000 1.039 235 T CA 1.447 63.509 62.100 -0.062 0.000 1.150 235 T CB -0.659 68.188 68.868 -0.034 0.000 0.864 235 T HN 0.543 nan 8.240 nan 0.000 0.427 236 G N 2.169 110.927 108.800 -0.069 0.000 2.440 236 G HA2 -0.167 3.793 3.960 0.001 0.000 0.218 236 G HA3 -0.167 3.793 3.960 0.001 0.000 0.218 236 G C 1.567 176.429 174.900 -0.062 0.000 1.154 236 G CA 1.328 46.387 45.100 -0.068 0.000 0.767 236 G HN 0.588 nan 8.290 nan 0.000 0.552 237 L N -1.069 120.100 121.223 -0.089 0.000 2.313 237 L HA 0.254 4.595 4.340 0.001 0.000 0.214 237 L C 2.420 179.256 176.870 -0.057 0.000 1.119 237 L CA 2.161 56.951 54.840 -0.083 0.000 0.809 237 L CB -1.057 40.928 42.059 -0.124 0.000 0.933 237 L HN -0.014 nan 8.230 nan 0.000 0.449 238 T N 0.036 114.552 114.554 -0.063 0.000 2.746 238 T HA -0.121 4.229 4.350 0.001 0.000 0.267 238 T C 2.023 176.692 174.700 -0.051 0.000 1.039 238 T CA 1.797 63.866 62.100 -0.052 0.000 1.142 238 T CB -0.459 68.375 68.868 -0.057 0.000 0.866 238 T HN 0.229 nan 8.240 nan 0.000 0.444 239 V N 1.772 121.649 119.914 -0.062 0.000 2.332 239 V HA -0.213 3.908 4.120 0.001 0.000 0.248 239 V C 2.866 178.949 176.094 -0.018 0.000 1.055 239 V CA 1.781 64.024 62.300 -0.096 0.000 1.038 239 V CB -1.206 30.602 31.823 -0.025 0.000 0.651 239 V HN 0.546 nan 8.190 nan 0.000 0.450 240 A N -0.502 122.362 122.820 0.074 0.000 1.898 240 A HA -0.226 4.095 4.320 0.001 0.000 0.216 240 A C 2.174 179.827 177.584 0.116 0.000 1.181 240 A CA 1.741 53.871 52.037 0.155 0.000 0.620 240 A CB -0.476 18.563 19.000 0.065 0.000 0.819 240 A HN 0.605 nan 8.150 nan 0.000 0.442 241 E N -1.605 118.618 120.200 0.038 0.000 2.118 241 E HA -0.235 4.115 4.350 0.001 0.000 0.195 241 E C 1.806 178.415 176.600 0.015 0.000 0.992 241 E CA 1.531 57.942 56.400 0.018 0.000 0.804 241 E CB -0.325 29.372 29.700 -0.004 0.000 0.741 241 E HN 0.812 nan 8.360 nan 0.000 0.458 242 Y N 0.319 120.535 120.300 -0.140 0.000 2.145 242 Y HA -0.241 4.310 4.550 0.000 0.000 0.286 242 Y C 1.791 177.610 175.900 -0.135 0.000 1.145 242 Y CA 1.665 59.638 58.100 -0.213 0.000 1.148 242 Y CB -0.378 37.835 38.460 -0.412 0.000 0.981 242 Y HN -0.028 nan 8.280 nan 0.000 0.507 243 F N 0.012 120.043 119.950 0.134 0.000 2.269 243 F HA -0.157 4.370 4.527 0.001 0.000 0.301 243 F C 2.721 178.531 175.800 0.015 0.000 1.082 243 F CA 1.214 59.270 58.000 0.094 0.000 1.360 243 F CB -0.225 38.899 39.000 0.207 0.000 1.041 243 F HN 0.010 nan 8.300 nan 0.000 0.512 244 R N 0.445 121.035 120.500 0.149 0.000 2.062 244 R HA -0.104 4.236 4.340 0.001 0.000 0.226 244 R C 1.483 177.776 176.300 -0.012 0.000 1.125 244 R CA 1.718 57.858 56.100 0.067 0.000 0.966 244 R CB -0.135 30.191 30.300 0.043 0.000 0.861 244 R HN 0.138 nan 8.270 nan 0.000 0.433 245 D N -0.106 120.250 120.400 -0.073 0.000 2.259 245 D HA -0.055 4.585 4.640 0.001 0.000 0.216 245 D C 1.787 177.995 176.300 -0.152 0.000 0.961 245 D CA 0.710 54.652 54.000 -0.096 0.000 0.878 245 D CB 0.118 40.869 40.800 -0.082 0.000 1.009 245 D HN 0.202 nan 8.370 nan 0.000 0.490 246 Q N 0.302 119.917 119.800 -0.309 0.000 2.424 246 Q HA 0.039 4.379 4.340 0.001 0.000 0.204 246 Q C 1.143 176.991 176.000 -0.252 0.000 0.933 246 Q CA 0.708 56.291 55.803 -0.367 0.000 0.929 246 Q CB 0.608 28.896 28.738 -0.749 0.000 1.037 246 Q HN 0.253 nan 8.270 nan 0.000 0.511 247 E N -0.568 119.530 120.200 -0.171 0.000 2.182 247 E HA 0.209 4.559 4.350 0.001 0.000 0.195 247 E C 1.053 177.653 176.600 -0.001 0.000 0.933 247 E CA 1.248 57.636 56.400 -0.020 0.000 0.940 247 E CB 0.171 29.947 29.700 0.126 0.000 0.945 247 E HN 0.292 nan 8.360 nan 0.000 0.477 248 G N 0.034 108.838 108.800 0.007 0.000 2.195 248 G HA2 -0.250 3.710 3.960 0.001 0.000 0.224 248 G HA3 -0.250 3.710 3.960 0.001 0.000 0.224 248 G C 0.174 175.081 174.900 0.012 0.000 0.990 248 G CA 0.286 45.388 45.100 0.002 0.000 0.639 248 G HN 0.180 nan 8.290 nan 0.000 0.514 249 Q N 1.192 121.009 119.800 0.029 0.000 2.396 249 Q HA 0.520 4.860 4.340 0.001 0.000 0.221 249 Q C -0.083 175.930 176.000 0.022 0.000 1.025 249 Q CA -0.025 55.776 55.803 -0.004 0.000 0.946 249 Q CB 0.521 29.226 28.738 -0.055 0.000 1.224 249 Q HN 0.336 nan 8.270 nan 0.000 0.539 250 D N -0.118 120.282 120.400 0.001 0.000 2.304 250 D HA 0.300 4.940 4.640 0.001 0.000 0.250 250 D C -0.906 175.489 176.300 0.159 0.000 1.107 250 D CA -0.119 53.925 54.000 0.073 0.000 0.885 250 D CB 0.947 41.813 40.800 0.109 0.000 1.192 250 D HN 0.069 nan 8.370 nan 0.000 0.436 251 V N 2.600 122.589 119.914 0.124 0.000 2.604 251 V HA 0.390 4.510 4.120 0.001 0.000 0.305 251 V C -0.056 176.002 176.094 -0.059 0.000 1.043 251 V CA -0.867 61.501 62.300 0.113 0.000 0.888 251 V CB 1.813 33.714 31.823 0.131 0.000 0.995 251 V HN 0.314 nan 8.190 nan 0.000 0.429 252 L N 5.134 126.263 121.223 -0.156 0.000 2.296 252 L HA 0.623 4.964 4.340 0.001 0.000 0.286 252 L C -0.848 175.816 176.870 -0.344 0.000 1.023 252 L CA -0.607 54.005 54.840 -0.380 0.000 0.812 252 L CB 1.584 43.356 42.059 -0.477 0.000 1.223 252 L HN 0.442 nan 8.230 nan 0.000 0.421 253 L N 4.062 124.986 121.223 -0.498 0.000 2.343 253 L HA 0.583 4.924 4.340 0.001 0.000 0.278 253 L C -1.309 175.225 176.870 -0.561 0.000 0.996 253 L CA 0.104 54.727 54.840 -0.360 0.000 0.831 253 L CB 0.996 42.926 42.059 -0.215 0.000 1.232 253 L HN 0.218 nan 8.230 nan 0.000 0.413 254 F N 5.951 125.808 119.950 -0.154 0.000 2.427 254 F HA 0.625 5.152 4.527 0.001 0.000 0.346 254 F C 0.025 175.493 175.800 -0.554 0.000 1.120 254 F CA -0.519 57.324 58.000 -0.261 0.000 1.033 254 F CB 1.447 40.394 39.000 -0.088 0.000 1.126 254 F HN 0.237 nan 8.300 nan 0.000 0.462 255 I N 2.795 123.174 120.570 -0.319 0.000 2.447 255 I HA 0.327 4.498 4.170 0.001 0.000 0.287 255 I C -1.352 174.571 176.117 -0.323 0.000 1.023 255 I CA -0.550 60.504 61.300 -0.411 0.000 1.083 255 I CB 2.000 39.830 38.000 -0.283 0.000 1.245 255 I HN 0.435 nan 8.210 nan 0.000 0.434 256 D N 6.028 126.209 120.400 -0.365 0.000 2.476 256 D HA 0.266 4.906 4.640 0.001 0.000 0.251 256 D C -1.412 174.860 176.300 -0.046 0.000 1.291 256 D CA -0.238 53.695 54.000 -0.113 0.000 0.939 256 D CB 1.242 42.066 40.800 0.039 0.000 1.221 256 D HN 0.438 nan 8.370 nan 0.000 0.567 257 N N 4.229 122.930 118.700 0.002 0.000 2.295 257 N HA 0.167 4.908 4.740 0.001 0.000 0.293 257 N C 0.496 176.034 175.510 0.046 0.000 1.040 257 N CA -0.498 52.573 53.050 0.034 0.000 0.840 257 N CB 1.693 40.251 38.487 0.118 0.000 1.468 257 N HN 0.302 nan 8.380 nan 0.000 0.478 258 I N 3.994 124.563 120.570 -0.001 0.000 2.614 258 I HA -0.069 4.101 4.170 0.001 0.000 0.258 258 I C 1.682 177.868 176.117 0.116 0.000 1.189 258 I CA 0.681 61.972 61.300 -0.014 0.000 1.462 258 I CB -0.559 37.359 38.000 -0.136 0.000 1.092 258 I HN 0.620 nan 8.210 nan 0.000 0.442 259 F N 1.544 121.523 119.950 0.048 0.000 2.154 259 F HA -0.251 4.276 4.527 0.000 0.000 0.301 259 F C 2.308 178.198 175.800 0.149 0.000 1.087 259 F CA 1.608 59.685 58.000 0.129 0.000 1.274 259 F CB -0.380 38.743 39.000 0.205 0.000 1.009 259 F HN -0.014 nan 8.300 nan 0.000 0.485 260 R N -0.016 120.484 120.500 -0.001 0.000 2.193 260 R HA -0.193 4.147 4.340 0.001 0.000 0.229 260 R C 2.206 178.434 176.300 -0.121 0.000 1.110 260 R CA 1.384 57.407 56.100 -0.128 0.000 0.988 260 R CB -1.710 28.605 30.300 0.025 0.000 0.871 260 R HN 0.524 nan 8.270 nan 0.000 0.458 261 F N 1.554 121.399 119.950 -0.175 0.000 2.134 261 F HA -0.183 4.345 4.527 0.001 0.000 0.299 261 F C 1.911 177.614 175.800 -0.162 0.000 1.097 261 F CA 1.656 59.571 58.000 -0.142 0.000 1.264 261 F CB -0.238 38.692 39.000 -0.116 0.000 1.001 261 F HN -0.136 nan 8.300 nan 0.000 0.479 262 T N 0.040 114.469 114.554 -0.209 0.000 2.851 262 T HA -0.174 4.176 4.350 0.001 0.000 0.262 262 T C 1.874 176.391 174.700 -0.306 0.000 1.043 262 T CA 1.275 63.205 62.100 -0.285 0.000 1.140 262 T CB -0.322 68.507 68.868 -0.066 0.000 0.872 262 T HN 0.418 nan 8.240 nan 0.000 0.446 263 Q N 0.697 120.176 119.800 -0.535 0.000 2.096 263 Q HA -0.133 4.207 4.340 0.001 0.000 0.204 263 Q C 2.468 178.327 176.000 -0.235 0.000 0.982 263 Q CA 1.593 57.137 55.803 -0.432 0.000 0.850 263 Q CB -0.270 28.078 28.738 -0.649 0.000 0.901 263 Q HN 0.537 nan 8.270 nan 0.000 0.422 264 A N 0.295 122.968 122.820 -0.245 0.000 1.933 264 A HA -0.106 4.215 4.320 0.001 0.000 0.218 264 A C 2.251 179.729 177.584 -0.177 0.000 1.175 264 A CA 1.562 53.493 52.037 -0.176 0.000 0.628 264 A CB -1.232 17.673 19.000 -0.158 0.000 0.814 264 A HN 0.602 nan 8.150 nan 0.000 0.444 265 G N 0.079 108.725 108.800 -0.257 0.000 2.442 265 G HA2 -0.236 3.724 3.960 0.001 0.000 0.219 265 G HA3 -0.236 3.724 3.960 0.001 0.000 0.219 265 G C 1.966 176.801 174.900 -0.108 0.000 1.141 265 G CA 1.849 46.822 45.100 -0.213 0.000 0.763 265 G HN 0.877 nan 8.290 nan 0.000 0.554 266 S N 0.363 116.016 115.700 -0.078 0.000 2.406 266 S HA -0.003 4.467 4.470 0.001 0.000 0.228 266 S C 1.927 176.489 174.600 -0.064 0.000 1.020 266 S CA 1.369 59.545 58.200 -0.040 0.000 0.965 266 S CB -0.242 62.935 63.200 -0.039 0.000 0.798 266 S HN 0.549 nan 8.310 nan 0.000 0.488 267 E N 0.955 121.111 120.200 -0.074 0.000 2.153 267 E HA -0.088 4.263 4.350 0.001 0.000 0.194 267 E C 2.021 178.594 176.600 -0.045 0.000 0.988 267 E CA 1.624 57.990 56.400 -0.058 0.000 0.811 267 E CB -0.229 29.437 29.700 -0.056 0.000 0.746 267 E HN 0.720 nan 8.360 nan 0.000 0.466 268 V N -2.672 117.213 119.914 -0.048 0.000 3.660 268 V HA 0.147 4.267 4.120 0.001 0.000 0.276 268 V C 2.011 178.088 176.094 -0.028 0.000 1.317 268 V CA 0.557 62.836 62.300 -0.035 0.000 1.097 268 V CB 0.760 32.561 31.823 -0.036 0.000 0.863 268 V HN 0.014 nan 8.190 nan 0.000 0.438 269 S N 1.672 117.354 115.700 -0.030 0.000 2.359 269 S HA -0.173 4.297 4.470 0.001 0.000 0.224 269 S C 2.203 176.797 174.600 -0.010 0.000 1.035 269 S CA 2.211 60.400 58.200 -0.018 0.000 1.018 269 S CB -0.435 62.759 63.200 -0.010 0.000 0.876 269 S HN 0.973 nan 8.310 nan 0.000 0.448 270 A N 1.161 123.974 122.820 -0.012 0.000 1.933 270 A HA 0.036 4.357 4.320 0.001 0.000 0.218 270 A C 2.132 179.713 177.584 -0.005 0.000 1.175 270 A CA 1.399 53.431 52.037 -0.007 0.000 0.628 270 A CB -0.718 18.276 19.000 -0.010 0.000 0.814 270 A HN 0.589 nan 8.150 nan 0.000 0.444 271 L N -0.826 120.392 121.223 -0.008 0.000 2.376 271 L HA -0.015 4.325 4.340 0.001 0.000 0.219 271 L C 1.670 178.539 176.870 -0.001 0.000 1.133 271 L CA 0.396 55.234 54.840 -0.004 0.000 0.816 271 L CB -0.313 41.742 42.059 -0.006 0.000 0.933 271 L HN 0.331 nan 8.230 nan 0.000 0.449 272 L N -0.159 121.063 121.223 -0.002 0.000 2.612 272 L HA 0.166 4.507 4.340 0.001 0.000 0.230 272 L C 1.318 178.191 176.870 0.005 0.000 1.140 272 L CA 0.373 55.214 54.840 0.002 0.000 0.896 272 L CB -0.364 41.694 42.059 -0.003 0.000 1.065 272 L HN 0.429 nan 8.230 nan 0.000 0.447 273 G N 0.628 109.431 108.800 0.004 0.000 2.137 273 G HA2 -0.285 3.676 3.960 0.001 0.000 0.237 273 G HA3 -0.285 3.676 3.960 0.001 0.000 0.237 273 G C 0.091 174.995 174.900 0.007 0.000 1.002 273 G CA -0.243 44.861 45.100 0.006 0.000 0.702 273 G HN 0.312 nan 8.290 nan 0.000 0.515 274 R N -0.600 119.903 120.500 0.006 0.000 2.297 274 R HA 0.642 4.982 4.340 0.001 0.000 0.308 274 R C 0.819 177.126 176.300 0.010 0.000 1.029 274 R CA -0.720 55.386 56.100 0.009 0.000 0.929 274 R CB 0.707 31.013 30.300 0.011 0.000 1.046 274 R HN 0.258 nan 8.270 nan 0.000 0.461 275 I N 5.735 126.313 120.570 0.013 0.000 2.710 275 I HA 0.024 4.194 4.170 0.001 0.000 0.286 275 I C -1.560 174.570 176.117 0.021 0.000 1.181 275 I CA -0.910 60.399 61.300 0.015 0.000 1.430 275 I CB 0.263 38.273 38.000 0.016 0.000 1.367 275 I HN 0.462 nan 8.210 nan 0.000 0.577 276 P HA 0.092 nan 4.420 nan 0.000 0.274 276 P C -0.442 176.885 177.300 0.045 0.000 1.231 276 P CA -0.345 62.774 63.100 0.031 0.000 0.790 276 P CB 1.198 32.909 31.700 0.019 0.000 0.951 277 S N 0.835 116.577 115.700 0.071 0.000 2.623 277 S HA 0.599 5.069 4.470 0.001 0.000 0.278 277 S C 0.058 174.718 174.600 0.101 0.000 1.148 277 S CA -0.449 57.801 58.200 0.084 0.000 1.028 277 S CB 0.117 63.377 63.200 0.101 0.000 1.145 277 S HN 0.609 nan 8.310 nan 0.000 0.523 278 A N 0.354 123.242 122.820 0.112 0.000 2.531 278 A HA 0.390 4.710 4.320 0.001 0.000 0.236 278 A C 0.874 178.570 177.584 0.186 0.000 1.062 278 A CA 0.364 52.473 52.037 0.121 0.000 0.760 278 A CB -0.780 18.285 19.000 0.109 0.000 0.995 278 A HN 1.650 nan 8.150 nan 0.000 0.501 279 V N 1.279 121.273 119.914 0.133 0.000 4.654 279 V HA -0.285 3.836 4.120 0.001 0.000 0.261 279 V C 1.722 177.802 176.094 -0.023 0.000 0.471 279 V CA 1.540 63.911 62.300 0.118 0.000 0.802 279 V CB -2.553 29.420 31.823 0.251 0.000 0.768 279 V HN 2.903 nan 8.190 nan 0.000 1.286 280 G N -2.240 106.547 108.800 -0.022 0.000 2.175 280 G HA2 -0.359 3.601 3.960 0.001 0.000 0.265 280 G HA3 -0.359 3.601 3.960 0.001 0.000 0.265 280 G C -0.109 174.705 174.900 -0.144 0.000 0.979 280 G CA 0.686 45.726 45.100 -0.101 0.000 0.663 280 G HN 0.905 nan 8.290 nan 0.000 0.533 281 Y N 1.125 121.450 120.300 0.041 0.000 2.300 281 Y HA 0.424 4.974 4.550 0.000 0.000 0.328 281 Y C 1.356 177.265 175.900 0.015 0.000 1.270 281 Y CA -0.316 57.803 58.100 0.031 0.000 1.352 281 Y CB 0.549 39.040 38.460 0.051 0.000 1.286 281 Y HN 0.368 nan 8.280 nan 0.000 0.536 282 Q N 2.375 122.292 119.800 0.196 0.000 2.361 282 Q HA 0.040 4.381 4.340 0.001 0.000 0.276 282 Q C -2.407 173.649 176.000 0.094 0.000 1.022 282 Q CA -1.458 54.403 55.803 0.097 0.000 0.898 282 Q CB 0.683 29.451 28.738 0.050 0.000 1.246 282 Q HN 0.411 nan 8.270 nan 0.000 0.410 283 P HA -0.109 nan 4.420 nan 0.000 0.221 283 P C 0.967 178.294 177.300 0.045 0.000 1.145 283 P CA 1.743 64.875 63.100 0.053 0.000 0.795 283 P CB 0.015 31.738 31.700 0.038 0.000 0.775 284 T N -4.227 110.350 114.554 0.038 0.000 3.144 284 T HA 0.114 4.464 4.350 0.001 0.000 0.249 284 T C 1.543 176.267 174.700 0.040 0.000 1.089 284 T CA -0.238 61.882 62.100 0.034 0.000 0.989 284 T CB -1.027 67.854 68.868 0.022 0.000 0.992 284 T HN -0.003 nan 8.240 nan 0.000 0.540 285 L N 1.034 122.281 121.223 0.040 0.000 2.034 285 L HA -0.215 4.125 4.340 0.001 0.000 0.217 285 L C 2.765 179.671 176.870 0.060 0.000 1.077 285 L CA 2.212 57.069 54.840 0.029 0.000 0.769 285 L CB -0.682 41.367 42.059 -0.016 0.000 0.890 285 L HN 0.416 nan 8.230 nan 0.000 0.435 286 A N -1.155 121.703 122.820 0.064 0.000 1.930 286 A HA -0.142 4.178 4.320 0.001 0.000 0.215 286 A C 2.290 179.941 177.584 0.111 0.000 1.176 286 A CA 1.685 53.779 52.037 0.094 0.000 0.632 286 A CB -0.957 18.090 19.000 0.078 0.000 0.819 286 A HN 0.633 nan 8.150 nan 0.000 0.445 287 T N -2.004 112.602 114.554 0.086 0.000 2.812 287 T HA -0.117 4.233 4.350 0.001 0.000 0.264 287 T C 1.373 176.133 174.700 0.100 0.000 1.042 287 T CA 1.316 63.466 62.100 0.084 0.000 1.140 287 T CB -0.467 68.436 68.868 0.059 0.000 0.870 287 T HN 0.296 nan 8.240 nan 0.000 0.445 288 D N 1.180 121.646 120.400 0.110 0.000 2.106 288 D HA -0.115 4.525 4.640 0.001 0.000 0.191 288 D C 1.979 178.443 176.300 0.274 0.000 0.997 288 D CA 1.315 55.419 54.000 0.174 0.000 0.834 288 D CB -0.468 40.398 40.800 0.110 0.000 0.956 288 D HN 0.373 nan 8.370 nan 0.000 0.448 289 M N 0.286 120.027 119.600 0.236 0.000 2.117 289 M HA -0.100 4.380 4.480 0.001 0.000 0.262 289 M C 2.048 178.295 176.300 -0.088 0.000 1.065 289 M CA 2.064 57.426 55.300 0.104 0.000 1.114 289 M CB -0.229 32.425 32.600 0.090 0.000 1.361 289 M HN 0.048 nan 8.290 nan 0.000 0.408 290 G N -0.646 108.184 108.800 0.050 0.000 2.418 290 G HA2 -0.259 3.702 3.960 0.001 0.000 0.217 290 G HA3 -0.259 3.702 3.960 0.001 0.000 0.217 290 G C 1.427 176.345 174.900 0.030 0.000 1.158 290 G CA 1.493 46.652 45.100 0.099 0.000 0.771 290 G HN 0.608 nan 8.290 nan 0.000 0.545 291 T N -1.946 112.630 114.554 0.037 0.000 2.951 291 T HA 0.011 4.361 4.350 0.001 0.000 0.268 291 T C 2.170 176.855 174.700 -0.024 0.000 1.073 291 T CA 1.425 63.543 62.100 0.030 0.000 1.134 291 T CB -0.066 68.843 68.868 0.068 0.000 0.884 291 T HN 0.154 nan 8.240 nan 0.000 0.479 292 M N 0.267 119.807 119.600 -0.099 0.000 2.299 292 M HA 0.087 4.568 4.480 0.001 0.000 0.264 292 M C 2.177 178.310 176.300 -0.279 0.000 1.095 292 M CA 1.258 56.413 55.300 -0.241 0.000 1.165 292 M CB -0.593 31.689 32.600 -0.530 0.000 1.349 292 M HN 0.129 nan 8.290 nan 0.000 0.446 293 Q N 0.725 120.323 119.800 -0.337 0.000 2.124 293 Q HA -0.117 4.224 4.340 0.001 0.000 0.202 293 Q C 1.701 177.611 176.000 -0.150 0.000 0.977 293 Q CA 1.222 56.818 55.803 -0.345 0.000 0.850 293 Q CB -0.390 27.914 28.738 -0.722 0.000 0.901 293 Q HN 0.564 nan 8.270 nan 0.000 0.429 294 E N 0.345 120.505 120.200 -0.068 0.000 2.472 294 E HA -0.096 4.254 4.350 0.001 0.000 0.200 294 E C 1.709 178.297 176.600 -0.019 0.000 1.046 294 E CA 0.356 56.760 56.400 0.007 0.000 0.871 294 E CB 0.067 29.797 29.700 0.050 0.000 0.806 294 E HN 0.318 nan 8.360 nan 0.000 0.533 295 R N -0.005 120.461 120.500 -0.057 0.000 2.173 295 R HA 0.181 4.521 4.340 0.001 0.000 0.208 295 R C 1.035 177.293 176.300 -0.070 0.000 1.035 295 R CA 0.174 56.240 56.100 -0.056 0.000 1.004 295 R CB 0.235 30.495 30.300 -0.067 0.000 0.917 295 R HN 0.049 nan 8.270 nan 0.000 0.462 296 I N 2.085 122.595 120.570 -0.100 0.000 2.349 296 I HA 0.023 4.193 4.170 0.001 0.000 0.302 296 I C -0.015 176.053 176.117 -0.081 0.000 1.180 296 I CA 0.405 61.639 61.300 -0.110 0.000 1.405 296 I CB 0.246 38.151 38.000 -0.158 0.000 1.474 296 I HN -0.012 nan 8.210 nan 0.000 0.632 297 T N 2.786 117.302 114.554 -0.063 0.000 2.893 297 T HA 0.221 4.571 4.350 0.001 0.000 0.337 297 T C -0.370 174.304 174.700 -0.043 0.000 1.587 297 T CA -0.430 61.642 62.100 -0.048 0.000 1.066 297 T CB 1.535 70.386 68.868 -0.029 0.000 1.414 297 T HN 0.292 nan 8.240 nan 0.000 0.488 298 T N 3.410 117.939 114.554 -0.041 0.000 2.907 298 T HA 0.593 4.943 4.350 0.001 0.000 0.298 298 T C 0.441 175.119 174.700 -0.037 0.000 1.017 298 T CA -0.067 62.011 62.100 -0.036 0.000 1.118 298 T CB 0.708 69.555 68.868 -0.035 0.000 0.948 298 T HN 0.898 nan 8.240 nan 0.000 0.531 299 T N -0.339 114.194 114.554 -0.034 0.000 2.831 299 T HA 0.470 4.820 4.350 0.001 0.000 0.287 299 T C 0.915 175.591 174.700 -0.040 0.000 1.070 299 T CA -1.094 60.981 62.100 -0.041 0.000 1.010 299 T CB 1.458 70.305 68.868 -0.035 0.000 1.264 299 T HN 0.373 nan 8.240 nan 0.000 0.532 300 K N -0.006 120.366 120.400 -0.047 0.000 2.360 300 K HA -0.004 4.316 4.320 0.001 0.000 0.201 300 K C 1.958 178.539 176.600 -0.032 0.000 1.046 300 K CA 1.029 57.291 56.287 -0.042 0.000 0.945 300 K CB -0.065 32.406 32.500 -0.047 0.000 0.750 300 K HN 0.476 nan 8.250 nan 0.000 0.464 301 K N -0.464 119.919 120.400 -0.029 0.000 2.186 301 K HA 0.035 4.356 4.320 0.001 0.000 0.202 301 K C 0.743 177.331 176.600 -0.020 0.000 1.052 301 K CA 0.607 56.878 56.287 -0.026 0.000 0.965 301 K CB 0.649 33.132 32.500 -0.029 0.000 0.746 301 K HN 0.172 nan 8.250 nan 0.000 0.457 302 G N -0.314 108.476 108.800 -0.017 0.000 2.489 302 G HA2 0.181 4.141 3.960 0.001 0.000 0.291 302 G HA3 0.181 4.141 3.960 0.001 0.000 0.291 302 G C -1.725 173.171 174.900 -0.006 0.000 1.487 302 G CA -0.646 44.450 45.100 -0.006 0.000 0.795 302 G HN -0.095 nan 8.290 nan 0.000 0.513 303 S N -0.512 115.189 115.700 0.002 0.000 2.462 303 S HA 0.744 5.214 4.470 0.001 0.000 0.294 303 S C -0.196 174.400 174.600 -0.007 0.000 1.144 303 S CA -0.665 57.531 58.200 -0.005 0.000 1.088 303 S CB 0.340 63.540 63.200 0.000 0.000 1.009 303 S HN 0.458 nan 8.310 nan 0.000 0.484 304 I N 4.231 124.781 120.570 -0.034 0.000 2.410 304 I HA 0.231 4.401 4.170 0.001 0.000 0.286 304 I C -0.272 175.781 176.117 -0.106 0.000 1.009 304 I CA -0.531 60.730 61.300 -0.064 0.000 1.111 304 I CB 2.132 40.092 38.000 -0.066 0.000 1.262 304 I HN 0.491 nan 8.210 nan 0.000 0.443 305 T N 4.377 118.840 114.554 -0.151 0.000 2.739 305 T HA 0.230 4.580 4.350 0.001 0.000 0.298 305 T C 0.250 174.763 174.700 -0.311 0.000 0.929 305 T CA -0.513 61.467 62.100 -0.201 0.000 1.014 305 T CB 0.283 69.030 68.868 -0.201 0.000 0.914 305 T HN 0.654 nan 8.240 nan 0.000 0.509 306 S N 2.345 117.879 115.700 -0.276 0.000 2.451 306 S HA 0.671 5.142 4.470 0.001 0.000 0.301 306 S C -0.377 174.022 174.600 -0.335 0.000 1.116 306 S CA -0.835 57.171 58.200 -0.323 0.000 1.093 306 S CB 1.262 64.320 63.200 -0.236 0.000 1.017 306 S HN 0.377 nan 8.310 nan 0.000 0.482 307 V N 3.730 123.418 119.914 -0.377 0.000 2.376 307 V HA 0.417 4.537 4.120 0.001 0.000 0.287 307 V C -0.564 175.431 176.094 -0.166 0.000 1.015 307 V CA -0.525 61.627 62.300 -0.247 0.000 0.834 307 V CB 1.101 32.866 31.823 -0.097 0.000 1.001 307 V HN 0.957 nan 8.190 nan 0.000 0.428 308 Q N 3.241 122.927 119.800 -0.190 0.000 2.333 308 Q HA 0.734 5.074 4.340 0.001 0.000 0.268 308 Q C -0.159 175.729 176.000 -0.187 0.000 1.007 308 Q CA -0.564 55.123 55.803 -0.194 0.000 0.810 308 Q CB 2.596 31.194 28.738 -0.234 0.000 1.264 308 Q HN 0.854 nan 8.270 nan 0.000 0.452 309 A N 3.673 126.419 122.820 -0.123 0.000 2.409 309 A HA 0.497 4.817 4.320 0.001 0.000 0.262 309 A C -0.349 177.159 177.584 -0.126 0.000 1.113 309 A CA -0.133 51.850 52.037 -0.090 0.000 0.790 309 A CB 0.024 19.025 19.000 0.001 0.000 1.046 309 A HN 0.750 nan 8.150 nan 0.000 0.496 310 I N 2.832 123.282 120.570 -0.200 0.000 2.448 310 I HA 0.167 4.337 4.170 0.001 0.000 0.281 310 I C -0.674 175.401 176.117 -0.070 0.000 1.027 310 I CA -0.450 60.711 61.300 -0.231 0.000 1.111 310 I CB 1.233 38.777 38.000 -0.760 0.000 1.236 310 I HN 0.734 nan 8.210 nan 0.000 0.452 311 Y N 7.073 127.321 120.300 -0.087 0.000 2.411 311 Y HA 0.379 4.930 4.550 0.000 0.000 0.333 311 Y C -0.334 175.384 175.900 -0.303 0.000 1.186 311 Y CA -0.026 57.943 58.100 -0.219 0.000 1.381 311 Y CB 0.909 39.146 38.460 -0.371 0.000 1.273 311 Y HN 0.271 nan 8.280 nan 0.000 0.546 312 V N 8.847 128.201 119.914 -0.932 0.000 2.325 312 V HA 0.291 4.411 4.120 0.001 0.000 0.280 312 V C -2.338 173.197 176.094 -0.932 0.000 1.016 312 V CA -2.065 59.858 62.300 -0.628 0.000 0.818 312 V CB 0.949 32.635 31.823 -0.228 0.000 1.019 312 V HN 0.719 nan 8.190 nan 0.000 0.434 313 P HA 0.185 nan 4.420 nan 0.000 0.268 313 P C 0.632 177.837 177.300 -0.158 0.000 1.204 313 P CA 0.639 63.533 63.100 -0.344 0.000 0.768 313 P CB 0.787 32.508 31.700 0.035 0.000 0.842 314 A N 3.777 126.547 122.820 -0.083 0.000 2.826 314 A HA -0.258 4.063 4.320 0.001 0.000 0.274 314 A C 0.945 178.496 177.584 -0.056 0.000 1.443 314 A CA 1.184 53.204 52.037 -0.029 0.000 0.833 314 A CB -2.612 16.396 19.000 0.014 0.000 1.023 314 A HN 0.634 nan 8.150 nan 0.000 0.600 315 D N -1.575 118.754 120.400 -0.118 0.000 3.070 315 D HA -0.184 4.457 4.640 0.001 0.000 0.220 315 D C -0.123 176.143 176.300 -0.057 0.000 1.176 315 D CA 2.028 55.972 54.000 -0.094 0.000 0.924 315 D CB -1.039 39.732 40.800 -0.048 0.000 1.124 315 D HN 0.908 nan 8.370 nan 0.000 0.411 316 D N 0.214 120.586 120.400 -0.048 0.000 2.380 316 D HA 0.193 4.833 4.640 0.001 0.000 0.230 316 D C 1.457 177.766 176.300 0.015 0.000 1.154 316 D CA -0.325 53.670 54.000 -0.007 0.000 0.859 316 D CB 0.369 41.178 40.800 0.015 0.000 1.045 316 D HN 0.132 nan 8.370 nan 0.000 0.495 317 L N 2.706 123.944 121.223 0.026 0.000 2.456 317 L HA -0.103 4.237 4.340 0.001 0.000 0.224 317 L C 2.202 179.133 176.870 0.103 0.000 1.148 317 L CA 1.119 56.008 54.840 0.081 0.000 0.825 317 L CB -0.265 41.827 42.059 0.054 0.000 0.937 317 L HN 0.464 nan 8.230 nan 0.000 0.450 318 T N -4.997 109.589 114.554 0.053 0.000 3.107 318 T HA -0.048 4.302 4.350 0.001 0.000 0.249 318 T C 0.781 175.532 174.700 0.084 0.000 1.096 318 T CA -0.429 61.702 62.100 0.051 0.000 1.012 318 T CB -0.249 68.630 68.868 0.019 0.000 0.977 318 T HN 0.171 nan 8.240 nan 0.000 0.527 319 D N 2.843 123.304 120.400 0.103 0.000 2.533 319 D HA 0.019 4.659 4.640 0.001 0.000 0.236 319 D C -1.457 174.911 176.300 0.114 0.000 1.137 319 D CA -1.313 52.774 54.000 0.145 0.000 0.867 319 D CB 1.483 42.383 40.800 0.165 0.000 1.170 319 D HN 0.038 nan 8.370 nan 0.000 0.474 320 P HA -0.204 nan 4.420 nan 0.000 0.217 320 P C 0.860 178.070 177.300 -0.150 0.000 1.151 320 P CA 1.920 64.969 63.100 -0.086 0.000 0.849 320 P CB 0.145 31.717 31.700 -0.213 0.000 0.787 321 A N 0.159 122.846 122.820 -0.222 0.000 1.835 321 A HA -0.119 4.202 4.320 0.001 0.000 0.215 321 A C 0.013 177.688 177.584 0.151 0.000 1.199 321 A CA 2.276 54.301 52.037 -0.021 0.000 0.615 321 A CB -2.248 16.923 19.000 0.285 0.000 0.838 321 A HN 0.215 nan 8.150 nan 0.000 0.444 322 P HA -0.118 nan 4.420 nan 0.000 0.217 322 P C 1.602 179.083 177.300 0.301 0.000 1.150 322 P CA 1.985 65.244 63.100 0.264 0.000 0.832 322 P CB -0.226 31.641 31.700 0.278 0.000 0.787 323 A N 0.089 123.094 122.820 0.309 0.000 1.908 323 A HA -0.164 4.156 4.320 0.001 0.000 0.218 323 A C 2.272 180.059 177.584 0.337 0.000 1.181 323 A CA 2.540 54.799 52.037 0.370 0.000 0.627 323 A CB -1.950 17.155 19.000 0.176 0.000 0.818 323 A HN 0.232 nan 8.150 nan 0.000 0.445 324 T N -0.508 114.174 114.554 0.214 0.000 3.023 324 T HA -0.042 4.308 4.350 0.001 0.000 0.266 324 T C 1.793 176.655 174.700 0.270 0.000 1.093 324 T CA 1.573 63.788 62.100 0.191 0.000 1.129 324 T CB -0.292 68.649 68.868 0.122 0.000 0.899 324 T HN 0.569 nan 8.240 nan 0.000 0.491 325 T N 1.639 116.350 114.554 0.262 0.000 2.904 325 T HA 0.071 4.421 4.350 0.001 0.000 0.267 325 T C 1.500 176.374 174.700 0.289 0.000 1.059 325 T CA 0.594 62.842 62.100 0.247 0.000 1.137 325 T CB -0.463 68.450 68.868 0.075 0.000 0.879 325 T HN 0.329 nan 8.240 nan 0.000 0.467 326 F N 2.141 122.280 119.950 0.315 0.000 2.091 326 F HA -0.142 4.385 4.527 0.000 0.000 0.299 326 F C 2.699 178.568 175.800 0.116 0.000 1.103 326 F CA 1.121 59.252 58.000 0.218 0.000 1.228 326 F CB -0.618 38.390 39.000 0.014 0.000 0.984 326 F HN 0.143 nan 8.300 nan 0.000 0.477 327 A N -1.474 121.472 122.820 0.210 0.000 2.178 327 A HA -0.167 4.153 4.320 0.001 0.000 0.218 327 A C 1.578 179.100 177.584 -0.104 0.000 1.157 327 A CA 1.238 53.279 52.037 0.006 0.000 0.689 327 A CB -0.925 18.014 19.000 -0.102 0.000 0.787 327 A HN 0.483 nan 8.150 nan 0.000 0.465 328 H N -1.124 117.999 119.070 0.088 0.000 2.539 328 H HA 0.326 4.883 4.556 0.000 0.000 0.269 328 H C -0.131 175.210 175.328 0.022 0.000 0.980 328 H CA 0.274 56.343 56.048 0.036 0.000 1.152 328 H CB 0.047 29.809 29.762 0.000 0.000 1.407 328 H HN 0.352 nan 8.280 nan 0.000 0.564 329 L N 0.152 121.460 121.223 0.142 0.000 2.333 329 L HA 0.229 4.570 4.340 0.001 0.000 0.269 329 L C 0.744 177.665 176.870 0.085 0.000 1.010 329 L CA -0.630 54.270 54.840 0.099 0.000 0.818 329 L CB 1.932 44.070 42.059 0.132 0.000 1.306 329 L HN -0.119 nan 8.230 nan 0.000 0.430 330 D N 0.650 121.082 120.400 0.054 0.000 2.380 330 D HA 0.203 4.844 4.640 0.001 0.000 0.212 330 D C 0.222 176.571 176.300 0.083 0.000 1.021 330 D CA 0.525 54.559 54.000 0.056 0.000 0.884 330 D CB 1.068 41.887 40.800 0.031 0.000 1.001 330 D HN 0.494 nan 8.370 nan 0.000 0.506 331 A N 0.738 123.609 122.820 0.086 0.000 2.422 331 A HA 0.585 4.905 4.320 0.001 0.000 0.302 331 A C -0.482 177.202 177.584 0.166 0.000 1.041 331 A CA -0.586 51.538 52.037 0.146 0.000 0.708 331 A CB 1.523 20.650 19.000 0.211 0.000 1.257 331 A HN -0.022 nan 8.150 nan 0.000 0.414 332 T N -0.609 114.090 114.554 0.241 0.000 2.841 332 T HA 0.683 5.033 4.350 0.001 0.000 0.285 332 T C -0.525 174.366 174.700 0.318 0.000 0.991 332 T CA -0.491 61.801 62.100 0.320 0.000 0.966 332 T CB 1.292 70.387 68.868 0.377 0.000 0.962 332 T HN 0.457 nan 8.240 nan 0.000 0.438 333 T N 3.225 117.986 114.554 0.346 0.000 2.788 333 T HA 0.490 4.841 4.350 0.001 0.000 0.296 333 T C -0.180 174.712 174.700 0.320 0.000 1.009 333 T CA -0.547 61.739 62.100 0.309 0.000 0.949 333 T CB 0.885 69.954 68.868 0.334 0.000 0.946 333 T HN 0.632 nan 8.240 nan 0.000 0.453 334 V N 5.463 125.527 119.914 0.250 0.000 2.350 334 V HA 0.386 4.506 4.120 0.001 0.000 0.276 334 V C -0.300 175.889 176.094 0.159 0.000 1.028 334 V CA -0.815 61.620 62.300 0.225 0.000 0.860 334 V CB 0.964 32.872 31.823 0.141 0.000 0.990 334 V HN 0.626 nan 8.190 nan 0.000 0.453 335 L N 4.130 125.449 121.223 0.161 0.000 2.343 335 L HA 0.641 4.982 4.340 0.001 0.000 0.275 335 L C 0.331 177.246 176.870 0.075 0.000 1.056 335 L CA 0.522 55.430 54.840 0.113 0.000 0.804 335 L CB 1.756 43.891 42.059 0.126 0.000 1.203 335 L HN 0.672 nan 8.230 nan 0.000 0.440 336 S N 1.414 117.138 115.700 0.041 0.000 2.557 336 S HA 0.414 4.885 4.470 0.001 0.000 0.291 336 S C 0.805 175.402 174.600 -0.004 0.000 1.116 336 S CA -0.693 57.516 58.200 0.015 0.000 0.992 336 S CB 1.116 64.319 63.200 0.005 0.000 1.028 336 S HN 0.699 nan 8.310 nan 0.000 0.484 337 R N 3.254 123.752 120.500 -0.003 0.000 2.120 337 R HA -0.045 4.295 4.340 0.001 0.000 0.234 337 R C 2.034 178.318 176.300 -0.027 0.000 1.123 337 R CA 1.717 57.812 56.100 -0.008 0.000 0.975 337 R CB -0.557 29.744 30.300 0.001 0.000 0.866 337 R HN 0.762 nan 8.270 nan 0.000 0.446 338 A N 0.705 123.510 122.820 -0.025 0.000 1.978 338 A HA -0.134 4.187 4.320 0.001 0.000 0.220 338 A C 2.006 179.563 177.584 -0.045 0.000 1.170 338 A CA 1.280 53.300 52.037 -0.029 0.000 0.636 338 A CB -0.315 18.671 19.000 -0.023 0.000 0.810 338 A HN 0.360 nan 8.150 nan 0.000 0.448 339 I N -1.096 119.440 120.570 -0.057 0.000 2.429 339 I HA -0.082 4.088 4.170 0.001 0.000 0.247 339 I C 2.918 178.925 176.117 -0.183 0.000 1.099 339 I CA 0.738 61.986 61.300 -0.086 0.000 1.422 339 I CB -0.395 37.567 38.000 -0.063 0.000 1.112 339 I HN 0.301 nan 8.210 nan 0.000 0.430 340 A N 0.817 123.505 122.820 -0.220 0.000 1.908 340 A HA -0.298 4.023 4.320 0.001 0.000 0.218 340 A C 2.256 179.668 177.584 -0.285 0.000 1.181 340 A CA 2.160 53.945 52.037 -0.419 0.000 0.627 340 A CB -0.769 18.131 19.000 -0.167 0.000 0.818 340 A HN 0.539 nan 8.150 nan 0.000 0.445 341 E N -0.083 120.044 120.200 -0.121 0.000 2.267 341 E HA -0.154 4.197 4.350 0.001 0.000 0.197 341 E C 1.432 177.994 176.600 -0.063 0.000 0.998 341 E CA 1.000 57.366 56.400 -0.056 0.000 0.830 341 E CB -0.219 29.463 29.700 -0.031 0.000 0.751 341 E HN 0.672 nan 8.360 nan 0.000 0.491 342 L N -0.734 120.429 121.223 -0.100 0.000 2.591 342 L HA 0.222 4.562 4.340 0.001 0.000 0.228 342 L C 1.505 178.319 176.870 -0.093 0.000 1.133 342 L CA 0.387 55.176 54.840 -0.085 0.000 0.880 342 L CB 0.060 42.075 42.059 -0.073 0.000 1.033 342 L HN 0.407 nan 8.230 nan 0.000 0.450 343 G N 0.735 109.465 108.800 -0.117 0.000 2.143 343 G HA2 -0.242 3.718 3.960 0.001 0.000 0.249 343 G HA3 -0.242 3.718 3.960 0.001 0.000 0.249 343 G C 0.255 175.173 174.900 0.030 0.000 0.981 343 G CA -0.381 44.720 45.100 0.002 0.000 0.665 343 G HN 0.189 nan 8.290 nan 0.000 0.528 344 I N 1.100 121.568 120.570 -0.171 0.000 2.308 344 I HA 0.397 4.568 4.170 0.001 0.000 0.293 344 I C -0.010 175.897 176.117 -0.350 0.000 1.078 344 I CA -0.292 60.960 61.300 -0.081 0.000 1.292 344 I CB -0.380 37.599 38.000 -0.035 0.000 1.423 344 I HN 0.113 nan 8.210 nan 0.000 0.493 345 Y N 7.333 127.616 120.300 -0.030 0.000 2.425 345 Y HA 0.387 4.937 4.550 0.001 0.000 0.344 345 Y C -2.047 173.671 175.900 -0.305 0.000 0.969 345 Y CA -2.370 55.636 58.100 -0.156 0.000 1.052 345 Y CB 2.337 40.691 38.460 -0.175 0.000 1.215 345 Y HN 0.416 nan 8.280 nan 0.000 0.451 346 P HA 0.062 nan 4.420 nan 0.000 0.271 346 P C -0.389 176.925 177.300 0.023 0.000 1.218 346 P CA -0.166 62.912 63.100 -0.037 0.000 0.780 346 P CB 1.153 32.850 31.700 -0.004 0.000 0.901 347 A N 3.300 126.154 122.820 0.057 0.000 2.604 347 A HA 0.185 4.505 4.320 0.001 0.000 0.248 347 A C 0.528 178.128 177.584 0.025 0.000 1.466 347 A CA -0.248 51.770 52.037 -0.032 0.000 1.222 347 A CB -1.222 17.744 19.000 -0.057 0.000 0.945 347 A HN 0.374 nan 8.150 nan 0.000 0.600 348 V N 1.303 121.245 119.914 0.048 0.000 2.521 348 V HA 0.022 4.142 4.120 0.001 0.000 0.286 348 V C 0.415 176.535 176.094 0.043 0.000 1.034 348 V CA -0.420 61.921 62.300 0.069 0.000 1.045 348 V CB 0.934 32.808 31.823 0.085 0.000 0.974 348 V HN 0.556 nan 8.190 nan 0.000 0.480 349 D N 8.376 128.805 120.400 0.049 0.000 2.342 349 D HA 0.135 4.775 4.640 0.001 0.000 0.260 349 D C -1.257 175.058 176.300 0.026 0.000 1.278 349 D CA -1.890 52.129 54.000 0.031 0.000 0.910 349 D CB 1.690 42.506 40.800 0.028 0.000 1.079 349 D HN 0.294 nan 8.370 nan 0.000 0.496 350 P HA -0.031 nan 4.420 nan 0.000 0.233 350 P C 0.965 178.259 177.300 -0.009 0.000 1.167 350 P CA 0.501 63.599 63.100 -0.004 0.000 0.770 350 P CB 0.339 32.029 31.700 -0.017 0.000 0.837 351 L N -0.888 120.332 121.223 -0.005 0.000 2.818 351 L HA 0.312 4.652 4.340 0.001 0.000 0.243 351 L C 0.760 177.618 176.870 -0.020 0.000 1.185 351 L CA 0.306 55.137 54.840 -0.014 0.000 0.988 351 L CB -0.026 42.024 42.059 -0.014 0.000 1.292 351 L HN -0.170 nan 8.230 nan 0.000 0.519 352 D N -0.946 119.450 120.400 -0.007 0.000 2.615 352 D HA 0.107 4.747 4.640 0.001 0.000 0.274 352 D C -0.289 176.027 176.300 0.026 0.000 1.512 352 D CA 0.199 54.190 54.000 -0.015 0.000 0.803 352 D CB 0.837 41.622 40.800 -0.025 0.000 1.182 352 D HN -0.109 nan 8.370 nan 0.000 0.473 353 S N -0.116 115.612 115.700 0.046 0.000 2.473 353 S HA 0.734 5.204 4.470 0.001 0.000 0.307 353 S C -0.142 174.506 174.600 0.079 0.000 1.094 353 S CA -0.606 57.651 58.200 0.094 0.000 1.070 353 S CB 1.872 65.135 63.200 0.106 0.000 1.019 353 S HN 0.262 nan 8.310 nan 0.000 0.480 354 T N -0.917 113.704 114.554 0.112 0.000 2.883 354 T HA 0.840 5.191 4.350 0.001 0.000 0.296 354 T C -0.725 174.048 174.700 0.123 0.000 1.117 354 T CA -0.876 61.279 62.100 0.092 0.000 1.006 354 T CB 1.870 70.781 68.868 0.072 0.000 1.191 354 T HN 0.470 nan 8.240 nan 0.000 0.508 355 S N -0.675 115.085 115.700 0.100 0.000 2.543 355 S HA 0.391 4.861 4.470 0.001 0.000 0.271 355 S C 0.751 175.397 174.600 0.077 0.000 1.148 355 S CA -0.758 57.506 58.200 0.107 0.000 0.914 355 S CB 1.953 65.225 63.200 0.119 0.000 1.096 355 S HN 0.942 nan 8.310 nan 0.000 0.471 356 R N 2.464 123.006 120.500 0.070 0.000 2.117 356 R HA -0.088 4.253 4.340 0.001 0.000 0.243 356 R C 1.759 178.080 176.300 0.035 0.000 1.143 356 R CA 2.483 58.612 56.100 0.048 0.000 0.968 356 R CB -0.527 29.798 30.300 0.041 0.000 0.863 356 R HN 0.837 nan 8.270 nan 0.000 0.444 357 I N -2.013 118.579 120.570 0.037 0.000 3.684 357 I HA 0.130 4.300 4.170 0.001 0.000 0.304 357 I C 0.546 176.660 176.117 -0.005 0.000 1.278 357 I CA -0.150 61.158 61.300 0.013 0.000 1.272 357 I CB 0.039 38.050 38.000 0.017 0.000 1.029 357 I HN 0.001 nan 8.210 nan 0.000 0.458 358 M N 3.288 122.903 119.600 0.024 0.000 3.070 358 M HA 0.249 4.729 4.480 0.001 0.000 0.275 358 M C -0.864 175.517 176.300 0.136 0.000 1.510 358 M CA -0.064 55.273 55.300 0.061 0.000 1.608 358 M CB -1.442 31.201 32.600 0.073 0.000 1.266 358 M HN 0.294 nan 8.290 nan 0.000 0.514 359 D N 4.767 125.184 120.400 0.028 0.000 2.977 359 D HA 0.353 4.994 4.640 0.001 0.000 0.220 359 D C -2.465 173.688 176.300 -0.244 0.000 1.267 359 D CA -1.322 52.582 54.000 -0.160 0.000 0.884 359 D CB 2.385 43.124 40.800 -0.101 0.000 1.667 359 D HN 0.150 nan 8.370 nan 0.000 0.536 360 P HA -0.099 nan 4.420 nan 0.000 0.219 360 P C 0.735 177.946 177.300 -0.147 0.000 1.146 360 P CA 0.800 63.709 63.100 -0.318 0.000 0.808 360 P CB 0.462 31.894 31.700 -0.446 0.000 0.779 361 N N -0.569 118.042 118.700 -0.149 0.000 2.494 361 N HA 0.022 4.762 4.740 0.001 0.000 0.182 361 N C 1.779 177.258 175.510 -0.053 0.000 1.076 361 N CA 0.774 53.775 53.050 -0.082 0.000 0.908 361 N CB 0.013 38.454 38.487 -0.078 0.000 0.967 361 N HN 0.333 nan 8.380 nan 0.000 0.449 362 I N -0.248 120.288 120.570 -0.058 0.000 3.136 362 I HA -0.059 4.111 4.170 0.001 0.000 0.262 362 I C 1.914 178.018 176.117 -0.021 0.000 1.132 362 I CA 0.341 61.621 61.300 -0.033 0.000 1.450 362 I CB 0.017 37.998 38.000 -0.033 0.000 1.315 362 I HN -0.134 nan 8.210 nan 0.000 0.460 363 V N -0.867 119.020 119.914 -0.045 0.000 3.406 363 V HA 0.518 4.638 4.120 0.001 0.000 0.263 363 V C 0.908 177.038 176.094 0.059 0.000 1.172 363 V CA 0.199 62.477 62.300 -0.037 0.000 1.140 363 V CB -1.148 30.487 31.823 -0.313 0.000 0.784 363 V HN 0.524 nan 8.190 nan 0.000 0.467 364 G N 0.900 109.725 108.800 0.040 0.000 2.690 364 G HA2 -0.109 3.851 3.960 0.001 0.000 0.686 364 G HA3 -0.109 3.851 3.960 0.001 0.000 0.686 364 G C 0.423 175.388 174.900 0.108 0.000 1.277 364 G CA 0.298 45.439 45.100 0.069 0.000 0.799 364 G HN 1.235 nan 8.290 nan 0.000 0.613 365 S N -0.322 115.433 115.700 0.091 0.000 2.383 365 S HA -0.088 4.382 4.470 0.001 0.000 0.227 365 S C 1.837 176.538 174.600 0.170 0.000 1.026 365 S CA 1.875 60.149 58.200 0.123 0.000 0.981 365 S CB -0.172 63.075 63.200 0.078 0.000 0.818 365 S HN 1.025 nan 8.310 nan 0.000 0.472 366 E N 1.151 121.436 120.200 0.142 0.000 2.023 366 E HA -0.298 4.053 4.350 0.001 0.000 0.196 366 E C 2.066 178.777 176.600 0.185 0.000 1.003 366 E CA 1.517 57.999 56.400 0.136 0.000 0.809 366 E CB -0.503 29.260 29.700 0.105 0.000 0.755 366 E HN 0.841 nan 8.360 nan 0.000 0.449 367 H N -1.621 117.504 119.070 0.092 0.000 2.289 367 H HA -0.241 4.315 4.556 0.001 0.000 0.296 367 H C 2.150 177.532 175.328 0.090 0.000 1.091 367 H CA 1.841 57.940 56.048 0.085 0.000 1.274 367 H CB -0.182 29.630 29.762 0.084 0.000 1.364 367 H HN 0.322 nan 8.280 nan 0.000 0.490 368 Y N 1.450 121.841 120.300 0.152 0.000 2.181 368 Y HA -0.220 4.330 4.550 0.000 0.000 0.288 368 Y C 1.997 177.936 175.900 0.065 0.000 1.146 368 Y CA 1.893 60.024 58.100 0.051 0.000 1.164 368 Y CB -0.297 38.161 38.460 -0.003 0.000 0.982 368 Y HN 0.323 nan 8.280 nan 0.000 0.515 369 D N -0.560 119.922 120.400 0.135 0.000 2.117 369 D HA -0.180 4.460 4.640 0.001 0.000 0.197 369 D C 2.360 178.651 176.300 -0.015 0.000 0.987 369 D CA 1.797 55.823 54.000 0.044 0.000 0.829 369 D CB -0.448 40.414 40.800 0.103 0.000 0.961 369 D HN 0.307 nan 8.370 nan 0.000 0.460 370 V N 1.146 121.079 119.914 0.032 0.000 2.358 370 V HA -0.191 3.930 4.120 0.001 0.000 0.246 370 V C 2.490 178.564 176.094 -0.033 0.000 1.047 370 V CA 1.659 63.976 62.300 0.028 0.000 1.035 370 V CB -0.891 30.974 31.823 0.070 0.000 0.658 370 V HN 0.176 nan 8.190 nan 0.000 0.452 371 A N 0.170 122.961 122.820 -0.049 0.000 1.877 371 A HA -0.196 4.125 4.320 0.001 0.000 0.216 371 A C 2.354 179.828 177.584 -0.183 0.000 1.186 371 A CA 1.584 53.553 52.037 -0.114 0.000 0.620 371 A CB -0.442 18.519 19.000 -0.065 0.000 0.822 371 A HN 0.387 nan 8.150 nan 0.000 0.443 372 R N -0.504 119.826 120.500 -0.283 0.000 2.092 372 R HA -0.061 4.279 4.340 0.001 0.000 0.231 372 R C 2.336 178.557 176.300 -0.131 0.000 1.119 372 R CA 1.171 57.113 56.100 -0.263 0.000 0.970 372 R CB -1.603 28.461 30.300 -0.393 0.000 0.864 372 R HN 0.535 nan 8.270 nan 0.000 0.440 373 G N 0.385 109.129 108.800 -0.093 0.000 2.418 373 G HA2 -0.198 3.762 3.960 0.001 0.000 0.217 373 G HA3 -0.198 3.762 3.960 0.001 0.000 0.217 373 G C 1.571 176.455 174.900 -0.026 0.000 1.158 373 G CA 0.772 45.849 45.100 -0.038 0.000 0.771 373 G HN 0.170 nan 8.290 nan 0.000 0.545 374 V N 0.499 120.389 119.914 -0.041 0.000 2.295 374 V HA -0.249 3.871 4.120 0.001 0.000 0.246 374 V C 2.928 178.998 176.094 -0.041 0.000 1.049 374 V CA 2.302 64.579 62.300 -0.038 0.000 1.024 374 V CB -0.565 31.183 31.823 -0.126 0.000 0.648 374 V HN 0.436 nan 8.190 nan 0.000 0.447 375 Q N -0.401 119.359 119.800 -0.066 0.000 2.084 375 Q HA -0.243 4.097 4.340 0.001 0.000 0.202 375 Q C 2.385 178.369 176.000 -0.025 0.000 0.978 375 Q CA 1.743 57.516 55.803 -0.050 0.000 0.844 375 Q CB -0.228 28.468 28.738 -0.070 0.000 0.898 375 Q HN 0.566 nan 8.270 nan 0.000 0.426 376 K N 0.985 121.368 120.400 -0.028 0.000 2.009 376 K HA -0.174 4.146 4.320 0.001 0.000 0.210 376 K C 2.028 178.634 176.600 0.010 0.000 1.049 376 K CA 1.198 57.478 56.287 -0.011 0.000 0.929 376 K CB -0.195 32.296 32.500 -0.014 0.000 0.714 376 K HN 0.185 nan 8.250 nan 0.000 0.440 377 I N 1.050 121.628 120.570 0.013 0.000 2.286 377 I HA -0.281 3.889 4.170 0.001 0.000 0.248 377 I C 1.891 178.047 176.117 0.065 0.000 1.115 377 I CA 1.104 62.422 61.300 0.030 0.000 1.392 377 I CB 0.091 38.100 38.000 0.016 0.000 1.065 377 I HN 0.238 nan 8.210 nan 0.000 0.418 378 L N -0.090 121.168 121.223 0.059 0.000 2.109 378 L HA -0.204 4.136 4.340 0.001 0.000 0.207 378 L C 2.530 179.459 176.870 0.098 0.000 1.086 378 L CA 0.986 55.886 54.840 0.101 0.000 0.760 378 L CB -0.565 41.533 42.059 0.065 0.000 0.910 378 L HN 0.302 nan 8.230 nan 0.000 0.437 379 Q N 0.273 120.101 119.800 0.046 0.000 2.123 379 Q HA -0.182 4.158 4.340 0.001 0.000 0.199 379 Q C 1.688 177.702 176.000 0.024 0.000 0.966 379 Q CA 1.552 57.367 55.803 0.021 0.000 0.845 379 Q CB -0.023 28.715 28.738 0.001 0.000 0.907 379 Q HN 0.353 nan 8.270 nan 0.000 0.439 380 D N -0.889 119.538 120.400 0.044 0.000 2.097 380 D HA -0.181 4.459 4.640 0.001 0.000 0.195 380 D C 1.551 177.899 176.300 0.081 0.000 0.989 380 D CA 1.237 55.267 54.000 0.049 0.000 0.827 380 D CB -0.453 40.378 40.800 0.051 0.000 0.966 380 D HN 0.343 nan 8.370 nan 0.000 0.456 381 Y N 1.790 122.083 120.300 -0.012 0.000 2.145 381 Y HA -0.175 4.375 4.550 0.001 0.000 0.286 381 Y C 2.234 178.127 175.900 -0.012 0.000 1.145 381 Y CA 1.664 59.757 58.100 -0.011 0.000 1.148 381 Y CB -0.216 38.238 38.460 -0.010 0.000 0.981 381 Y HN -0.186 nan 8.280 nan 0.000 0.507 382 K N -0.427 119.878 120.400 -0.157 0.000 2.074 382 K HA -0.185 4.135 4.320 0.001 0.000 0.209 382 K C 2.174 178.657 176.600 -0.195 0.000 1.048 382 K CA 1.872 58.022 56.287 -0.229 0.000 0.926 382 K CB -0.303 32.146 32.500 -0.085 0.000 0.713 382 K HN 0.309 nan 8.250 nan 0.000 0.444 383 S N 0.673 116.305 115.700 -0.112 0.000 2.447 383 S HA -0.024 4.447 4.470 0.001 0.000 0.233 383 S C 1.687 176.231 174.600 -0.092 0.000 1.006 383 S CA 0.728 58.878 58.200 -0.083 0.000 0.957 383 S CB -0.002 63.172 63.200 -0.044 0.000 0.773 383 S HN 0.253 nan 8.310 nan 0.000 0.507 384 L N 0.785 121.937 121.223 -0.117 0.000 2.202 384 L HA 0.027 4.367 4.340 0.001 0.000 0.205 384 L C 2.555 179.339 176.870 -0.144 0.000 1.083 384 L CA 0.514 55.300 54.840 -0.092 0.000 0.790 384 L CB -0.430 41.617 42.059 -0.020 0.000 0.942 384 L HN 0.250 nan 8.230 nan 0.000 0.452 385 Q N 0.402 120.021 119.800 -0.302 0.000 2.103 385 Q HA -0.312 4.029 4.340 0.001 0.000 0.213 385 Q C 1.629 177.539 176.000 -0.149 0.000 1.008 385 Q CA 2.337 57.954 55.803 -0.310 0.000 0.879 385 Q CB -0.220 28.256 28.738 -0.437 0.000 0.946 385 Q HN 0.498 nan 8.270 nan 0.000 0.413 386 D N -0.205 120.118 120.400 -0.127 0.000 2.183 386 D HA -0.070 4.570 4.640 0.001 0.000 0.203 386 D C 1.786 178.053 176.300 -0.055 0.000 0.969 386 D CA 0.829 54.782 54.000 -0.079 0.000 0.842 386 D CB -0.113 40.644 40.800 -0.072 0.000 0.957 386 D HN 0.289 nan 8.370 nan 0.000 0.484 387 I N 0.993 121.531 120.570 -0.053 0.000 2.233 387 I HA -0.158 4.013 4.170 0.001 0.000 0.243 387 I C 2.438 178.540 176.117 -0.024 0.000 1.093 387 I CA 0.731 62.011 61.300 -0.033 0.000 1.380 387 I CB -0.341 37.641 38.000 -0.028 0.000 1.067 387 I HN 0.015 nan 8.210 nan 0.000 0.413 388 I N -0.439 120.116 120.570 -0.025 0.000 2.676 388 I HA -0.047 4.123 4.170 0.001 0.000 0.259 388 I C 2.523 178.636 176.117 -0.007 0.000 1.194 388 I CA 1.260 62.556 61.300 -0.007 0.000 1.473 388 I CB -0.422 37.586 38.000 0.013 0.000 1.096 388 I HN 0.033 nan 8.210 nan 0.000 0.443 389 A N 1.591 124.399 122.820 -0.020 0.000 2.019 389 A HA -0.005 4.315 4.320 0.001 0.000 0.219 389 A C 2.234 179.811 177.584 -0.012 0.000 1.164 389 A CA 1.720 53.748 52.037 -0.016 0.000 0.644 389 A CB -0.626 18.357 19.000 -0.028 0.000 0.805 389 A HN 0.615 nan 8.150 nan 0.000 0.449 390 I N -1.777 118.785 120.570 -0.013 0.000 3.194 390 I HA 0.046 4.216 4.170 0.001 0.000 0.271 390 I C 1.868 177.981 176.117 -0.006 0.000 1.150 390 I CA 0.408 61.702 61.300 -0.010 0.000 1.440 390 I CB 0.027 38.020 38.000 -0.013 0.000 1.276 390 I HN 0.159 nan 8.210 nan 0.000 0.457 391 L N 0.495 121.714 121.223 -0.006 0.000 2.477 391 L HA 0.341 4.681 4.340 0.001 0.000 0.220 391 L C 0.784 177.655 176.870 0.001 0.000 1.106 391 L CA 0.232 55.071 54.840 -0.003 0.000 0.851 391 L CB -0.312 41.745 42.059 -0.003 0.000 0.994 391 L HN 0.392 nan 8.230 nan 0.000 0.462 392 G N -0.352 108.450 108.800 0.003 0.000 2.675 392 G HA2 -0.252 3.708 3.960 0.001 0.000 0.686 392 G HA3 -0.252 3.708 3.960 0.001 0.000 0.686 392 G C -0.066 174.842 174.900 0.013 0.000 1.215 392 G CA -0.128 44.977 45.100 0.008 0.000 0.777 392 G HN -0.041 nan 8.290 nan 0.000 0.638 393 M N 0.520 120.131 119.600 0.018 0.000 2.149 393 M HA 0.001 4.481 4.480 0.001 0.000 0.261 393 M C 1.962 178.273 176.300 0.019 0.000 1.064 393 M CA 2.766 58.081 55.300 0.024 0.000 1.102 393 M CB -0.260 32.357 32.600 0.027 0.000 1.369 393 M HN 0.598 nan 8.290 nan 0.000 0.408 394 D N -0.238 120.170 120.400 0.014 0.000 2.310 394 D HA -0.132 4.508 4.640 0.001 0.000 0.212 394 D C 1.553 177.859 176.300 0.010 0.000 0.965 394 D CA 0.774 54.781 54.000 0.011 0.000 0.879 394 D CB -0.150 40.655 40.800 0.009 0.000 0.921 394 D HN 0.478 nan 8.370 nan 0.000 0.510 395 E N 0.247 120.453 120.200 0.010 0.000 2.371 395 E HA 0.062 4.412 4.350 0.001 0.000 0.194 395 E C 0.935 177.541 176.600 0.010 0.000 1.012 395 E CA -0.047 56.358 56.400 0.008 0.000 0.860 395 E CB 0.398 30.101 29.700 0.006 0.000 0.811 395 E HN 0.361 nan 8.360 nan 0.000 0.502 396 L N 1.255 122.486 121.223 0.014 0.000 2.426 396 L HA 0.053 4.393 4.340 0.001 0.000 0.271 396 L C 0.998 177.876 176.870 0.014 0.000 1.169 396 L CA -0.177 54.673 54.840 0.016 0.000 0.836 396 L CB 0.794 42.868 42.059 0.025 0.000 1.112 396 L HN -0.079 nan 8.230 nan 0.000 0.465 397 S N 1.111 116.818 115.700 0.013 0.000 2.589 397 S HA 0.016 4.487 4.470 0.001 0.000 0.265 397 S C 1.198 175.805 174.600 0.011 0.000 1.342 397 S CA -0.535 57.671 58.200 0.010 0.000 1.005 397 S CB 0.752 63.957 63.200 0.009 0.000 0.909 397 S HN 0.643 nan 8.310 nan 0.000 0.555 398 E N 1.716 121.921 120.200 0.009 0.000 2.118 398 E HA -0.144 4.207 4.350 0.001 0.000 0.195 398 E C 1.835 178.440 176.600 0.008 0.000 0.992 398 E CA 1.220 57.624 56.400 0.008 0.000 0.804 398 E CB -0.175 29.529 29.700 0.006 0.000 0.741 398 E HN 0.656 nan 8.360 nan 0.000 0.458 399 E N 0.823 121.028 120.200 0.008 0.000 2.110 399 E HA -0.154 4.197 4.350 0.001 0.000 0.193 399 E C 1.639 178.246 176.600 0.013 0.000 0.988 399 E CA 0.844 57.249 56.400 0.008 0.000 0.804 399 E CB -0.156 29.549 29.700 0.008 0.000 0.745 399 E HN 0.244 nan 8.360 nan 0.000 0.458 400 D N 0.791 121.201 120.400 0.018 0.000 2.149 400 D HA -0.102 4.538 4.640 0.001 0.000 0.201 400 D C 1.889 178.209 176.300 0.034 0.000 0.972 400 D CA 1.207 55.224 54.000 0.028 0.000 0.835 400 D CB -0.006 40.811 40.800 0.029 0.000 0.966 400 D HN 0.307 nan 8.370 nan 0.000 0.476 401 K N -0.114 120.300 120.400 0.024 0.000 2.366 401 K HA 0.006 4.326 4.320 0.001 0.000 0.198 401 K C 1.796 178.398 176.600 0.003 0.000 1.044 401 K CA 0.321 56.621 56.287 0.021 0.000 0.973 401 K CB -0.020 32.491 32.500 0.019 0.000 0.767 401 K HN 0.015 nan 8.250 nan 0.000 0.475 402 L N 2.626 123.849 121.223 0.001 0.000 2.072 402 L HA -0.086 4.255 4.340 0.001 0.000 0.205 402 L C 2.361 179.217 176.870 -0.024 0.000 1.079 402 L CA 2.104 56.937 54.840 -0.011 0.000 0.752 402 L CB -0.642 41.414 42.059 -0.006 0.000 0.906 402 L HN 0.488 nan 8.230 nan 0.000 0.436 403 T N -4.660 109.889 114.554 -0.008 0.000 2.915 403 T HA -0.111 4.239 4.350 0.001 0.000 0.269 403 T C 1.879 176.557 174.700 -0.038 0.000 1.071 403 T CA 1.268 63.363 62.100 -0.009 0.000 1.132 403 T CB -0.866 68.017 68.868 0.024 0.000 0.878 403 T HN 0.098 nan 8.240 nan 0.000 0.479 404 V N 2.661 122.562 119.914 -0.021 0.000 2.270 404 V HA -0.163 3.957 4.120 0.001 0.000 0.245 404 V C 3.238 179.184 176.094 -0.247 0.000 1.043 404 V CA 2.147 64.391 62.300 -0.093 0.000 1.014 404 V CB -0.941 30.916 31.823 0.056 0.000 0.645 404 V HN 0.782 nan 8.190 nan 0.000 0.447 405 S N 0.461 116.079 115.700 -0.136 0.000 2.368 405 S HA -0.241 4.230 4.470 0.001 0.000 0.225 405 S C 2.082 176.574 174.600 -0.180 0.000 1.030 405 S CA 1.499 59.616 58.200 -0.138 0.000 0.999 405 S CB -0.514 62.644 63.200 -0.070 0.000 0.844 405 S HN 0.552 nan 8.310 nan 0.000 0.459 406 R N 1.355 121.761 120.500 -0.157 0.000 2.092 406 R HA 0.128 4.468 4.340 0.001 0.000 0.231 406 R C 2.789 178.972 176.300 -0.196 0.000 1.119 406 R CA 1.219 57.217 56.100 -0.171 0.000 0.970 406 R CB -0.775 29.462 30.300 -0.106 0.000 0.864 406 R HN 0.589 nan 8.270 nan 0.000 0.440 407 A N 1.203 123.892 122.820 -0.219 0.000 1.933 407 A HA -0.166 4.155 4.320 0.001 0.000 0.218 407 A C 2.040 179.442 177.584 -0.303 0.000 1.175 407 A CA 1.220 53.112 52.037 -0.241 0.000 0.628 407 A CB -0.315 18.497 19.000 -0.313 0.000 0.814 407 A HN 0.215 nan 8.150 nan 0.000 0.444 408 R N -0.443 119.808 120.500 -0.416 0.000 2.115 408 R HA -0.047 4.293 4.340 0.001 0.000 0.226 408 R C 2.073 178.271 176.300 -0.170 0.000 1.100 408 R CA 1.432 57.348 56.100 -0.307 0.000 0.980 408 R CB -0.181 29.939 30.300 -0.300 0.000 0.875 408 R HN 0.500 nan 8.270 nan 0.000 0.445 409 K N 0.398 120.652 120.400 -0.243 0.000 2.103 409 K HA -0.033 4.288 4.320 0.001 0.000 0.204 409 K C 1.981 178.417 176.600 -0.272 0.000 1.052 409 K CA 1.002 57.054 56.287 -0.392 0.000 0.945 409 K CB -0.016 31.990 32.500 -0.823 0.000 0.722 409 K HN 0.078 nan 8.250 nan 0.000 0.443 410 I N 1.528 122.010 120.570 -0.145 0.000 2.226 410 I HA -0.313 3.857 4.170 0.001 0.000 0.245 410 I C 2.462 178.709 176.117 0.217 0.000 1.100 410 I CA 1.373 62.742 61.300 0.115 0.000 1.374 410 I CB -0.142 37.943 38.000 0.142 0.000 1.057 410 I HN 0.213 nan 8.210 nan 0.000 0.413 411 Q N 0.138 119.994 119.800 0.094 0.000 2.112 411 Q HA -0.258 4.083 4.340 0.001 0.000 0.206 411 Q C 2.397 178.488 176.000 0.152 0.000 0.987 411 Q CA 1.683 57.550 55.803 0.107 0.000 0.858 411 Q CB -0.134 28.638 28.738 0.057 0.000 0.905 411 Q HN 0.449 nan 8.270 nan 0.000 0.420 412 R N -0.660 119.938 120.500 0.163 0.000 2.090 412 R HA -0.087 4.253 4.340 0.001 0.000 0.228 412 R C 1.862 178.337 176.300 0.290 0.000 1.110 412 R CA 0.921 57.175 56.100 0.258 0.000 0.973 412 R CB -0.169 30.302 30.300 0.286 0.000 0.869 412 R HN 0.159 nan 8.270 nan 0.000 0.440 413 F N 0.789 120.800 119.950 0.101 0.000 2.604 413 F HA 0.030 4.557 4.527 0.001 0.000 0.298 413 F C 1.354 177.262 175.800 0.180 0.000 1.131 413 F CA 0.805 58.822 58.000 0.030 0.000 1.457 413 F CB 0.146 38.991 39.000 -0.258 0.000 1.095 413 F HN -0.060 nan 8.300 nan 0.000 0.574 414 L N -0.674 120.708 121.223 0.264 0.000 2.341 414 L HA 0.006 4.346 4.340 0.001 0.000 0.214 414 L C 1.488 178.377 176.870 0.032 0.000 1.115 414 L CA 0.332 55.290 54.840 0.197 0.000 0.820 414 L CB -0.677 41.483 42.059 0.168 0.000 0.944 414 L HN 0.093 nan 8.230 nan 0.000 0.452 415 S N -0.075 115.633 115.700 0.014 0.000 2.585 415 S HA 0.305 4.776 4.470 0.001 0.000 0.273 415 S C -0.332 174.170 174.600 -0.165 0.000 1.339 415 S CA -0.429 57.731 58.200 -0.067 0.000 1.028 415 S CB 1.696 64.877 63.200 -0.032 0.000 0.906 415 S HN 0.293 nan 8.310 nan 0.000 0.528 416 Q N 0.957 120.629 119.800 -0.214 0.000 2.378 416 Q HA 0.382 4.722 4.340 0.001 0.000 0.262 416 Q C -3.146 172.725 176.000 -0.215 0.000 0.978 416 Q CA -1.818 53.875 55.803 -0.184 0.000 0.918 416 Q CB 2.267 30.977 28.738 -0.047 0.000 1.415 416 Q HN 0.563 nan 8.270 nan 0.000 0.409 417 P HA 0.178 nan 4.420 nan 0.000 0.282 417 P C -0.993 176.423 177.300 0.194 0.000 1.274 417 P CA 0.283 63.361 63.100 -0.036 0.000 0.770 417 P CB 0.140 31.822 31.700 -0.029 0.000 0.867 418 F N 1.550 121.512 119.950 0.020 0.000 2.385 418 F HA 0.195 4.722 4.527 0.000 0.000 0.336 418 F C 2.298 178.113 175.800 0.024 0.000 1.100 418 F CA -0.753 57.263 58.000 0.026 0.000 1.116 418 F CB 1.628 40.655 39.000 0.046 0.000 1.166 418 F HN 0.393 nan 8.300 nan 0.000 0.511 419 Q N 1.583 121.488 119.800 0.175 0.000 2.135 419 Q HA -0.160 4.180 4.340 0.001 0.000 0.204 419 Q C 1.848 177.891 176.000 0.071 0.000 0.981 419 Q CA 1.844 57.695 55.803 0.080 0.000 0.856 419 Q CB 0.030 28.781 28.738 0.021 0.000 0.902 419 Q HN 0.712 nan 8.270 nan 0.000 0.425 420 V N -2.868 117.104 119.914 0.096 0.000 3.510 420 V HA 0.197 4.317 4.120 0.001 0.000 0.270 420 V C 1.245 177.427 176.094 0.146 0.000 1.201 420 V CA 1.169 63.523 62.300 0.089 0.000 1.166 420 V CB -0.146 31.725 31.823 0.080 0.000 0.825 420 V HN 0.303 nan 8.190 nan 0.000 0.484 421 A N -0.500 122.444 122.820 0.206 0.000 2.503 421 A HA 0.362 4.682 4.320 0.001 0.000 0.263 421 A C 1.671 179.305 177.584 0.083 0.000 1.258 421 A CA 0.165 52.366 52.037 0.273 0.000 0.936 421 A CB -0.207 18.985 19.000 0.319 0.000 1.070 421 A HN 0.522 nan 8.150 nan 0.000 0.522 422 E N 0.175 120.372 120.200 -0.004 0.000 2.160 422 E HA -0.179 4.172 4.350 0.001 0.000 0.195 422 E C 1.862 178.379 176.600 -0.139 0.000 0.991 422 E CA 1.660 58.037 56.400 -0.038 0.000 0.810 422 E CB -0.318 29.362 29.700 -0.034 0.000 0.742 422 E HN 0.651 nan 8.360 nan 0.000 0.466 423 V N -1.797 117.916 119.914 -0.334 0.000 3.078 423 V HA -0.142 3.979 4.120 0.001 0.000 0.265 423 V C 1.538 177.346 176.094 -0.477 0.000 1.122 423 V CA 1.351 63.366 62.300 -0.474 0.000 1.141 423 V CB -0.766 30.651 31.823 -0.677 0.000 0.735 423 V HN 0.145 nan 8.190 nan 0.000 0.498 424 F N 1.365 121.299 119.950 -0.027 0.000 2.602 424 F HA 0.119 4.646 4.527 0.001 0.000 0.284 424 F C 2.600 178.388 175.800 -0.020 0.000 1.111 424 F CA 0.754 58.726 58.000 -0.046 0.000 1.405 424 F CB -0.208 38.723 39.000 -0.115 0.000 1.121 424 F HN 0.218 nan 8.300 nan 0.000 0.603 425 T N -3.296 111.353 114.554 0.159 0.000 3.031 425 T HA 0.331 4.681 4.350 0.001 0.000 0.254 425 T C 1.920 176.700 174.700 0.133 0.000 1.060 425 T CA 0.767 62.977 62.100 0.185 0.000 1.135 425 T CB 0.050 69.039 68.868 0.202 0.000 0.896 425 T HN 0.400 nan 8.240 nan 0.000 0.472 426 G N 1.131 109.937 108.800 0.010 0.000 2.162 426 G HA2 -0.223 3.737 3.960 0.001 0.000 0.260 426 G HA3 -0.223 3.737 3.960 0.001 0.000 0.260 426 G C -0.134 174.608 174.900 -0.264 0.000 0.976 426 G CA 0.400 45.423 45.100 -0.127 0.000 0.655 426 G HN 0.816 nan 8.290 nan 0.000 0.533 427 H N -1.321 117.746 119.070 -0.006 0.000 2.529 427 H HA 0.637 5.193 4.556 0.001 0.000 0.348 427 H C 0.216 175.540 175.328 -0.008 0.000 1.152 427 H CA -0.975 55.066 56.048 -0.012 0.000 1.202 427 H CB 1.638 31.384 29.762 -0.026 0.000 1.562 427 H HN 0.191 nan 8.280 nan 0.000 0.515 428 L N 1.994 123.281 121.223 0.108 0.000 2.490 428 L HA 0.208 4.548 4.340 0.001 0.000 0.274 428 L C 0.947 177.864 176.870 0.079 0.000 1.201 428 L CA 0.469 55.348 54.840 0.065 0.000 0.869 428 L CB 0.249 42.334 42.059 0.042 0.000 1.123 428 L HN 0.853 nan 8.230 nan 0.000 0.484 429 G N 4.101 112.943 108.800 0.070 0.000 2.544 429 G HA2 0.299 4.260 3.960 0.001 0.000 0.242 429 G HA3 0.299 4.260 3.960 0.001 0.000 0.242 429 G C -0.602 174.337 174.900 0.066 0.000 1.247 429 G CA -0.486 44.668 45.100 0.090 0.000 0.840 429 G HN 0.535 nan 8.290 nan 0.000 0.578 430 K N 0.516 120.965 120.400 0.082 0.000 2.464 430 K HA 0.413 4.733 4.320 0.001 0.000 0.253 430 K C -1.378 175.252 176.600 0.051 0.000 0.933 430 K CA -0.711 55.606 56.287 0.050 0.000 0.801 430 K CB 2.872 35.388 32.500 0.028 0.000 1.271 430 K HN 0.379 nan 8.250 nan 0.000 0.430 431 L N 2.245 123.482 121.223 0.023 0.000 2.325 431 L HA 0.436 4.776 4.340 0.001 0.000 0.281 431 L C -1.169 175.708 176.870 0.011 0.000 1.004 431 L CA -0.887 53.959 54.840 0.010 0.000 0.823 431 L CB 1.598 43.655 42.059 -0.004 0.000 1.236 431 L HN 0.255 nan 8.230 nan 0.000 0.415 432 V N 6.122 126.042 119.914 0.010 0.000 2.357 432 V HA 0.416 4.537 4.120 0.001 0.000 0.284 432 V C -2.070 174.034 176.094 0.016 0.000 1.018 432 V CA -1.803 60.505 62.300 0.013 0.000 0.841 432 V CB 1.217 33.040 31.823 -0.001 0.000 0.991 432 V HN 0.670 nan 8.190 nan 0.000 0.437 433 P HA 0.035 nan 4.420 nan 0.000 0.267 433 P C 0.794 178.109 177.300 0.024 0.000 1.200 433 P CA -0.213 62.900 63.100 0.023 0.000 0.772 433 P CB 0.712 32.428 31.700 0.026 0.000 0.855 434 L N 4.077 125.310 121.223 0.015 0.000 2.042 434 L HA -0.206 4.134 4.340 0.001 0.000 0.210 434 L C 2.145 179.012 176.870 -0.005 0.000 1.076 434 L CA 1.980 56.818 54.840 -0.004 0.000 0.749 434 L CB -0.879 41.181 42.059 0.001 0.000 0.893 434 L HN 0.319 nan 8.230 nan 0.000 0.432 435 K N -0.443 119.967 120.400 0.016 0.000 2.063 435 K HA -0.236 4.084 4.320 0.001 0.000 0.208 435 K C 1.945 178.574 176.600 0.048 0.000 1.048 435 K CA 2.137 58.440 56.287 0.027 0.000 0.928 435 K CB -0.135 32.385 32.500 0.033 0.000 0.713 435 K HN 0.559 nan 8.250 nan 0.000 0.442 436 E N -0.668 119.568 120.200 0.060 0.000 2.152 436 E HA -0.098 4.253 4.350 0.001 0.000 0.192 436 E C 1.923 178.609 176.600 0.144 0.000 0.983 436 E CA 1.270 57.724 56.400 0.091 0.000 0.818 436 E CB 0.069 29.817 29.700 0.080 0.000 0.758 436 E HN 0.316 nan 8.360 nan 0.000 0.467 437 T N 1.493 116.126 114.554 0.131 0.000 2.708 437 T HA -0.131 4.219 4.350 0.001 0.000 0.266 437 T C 1.980 176.863 174.700 0.305 0.000 1.037 437 T CA 0.942 63.175 62.100 0.222 0.000 1.146 437 T CB -0.169 68.773 68.868 0.123 0.000 0.865 437 T HN 0.095 nan 8.240 nan 0.000 0.435 438 I N 0.717 121.361 120.570 0.123 0.000 2.142 438 I HA -0.181 3.989 4.170 0.001 0.000 0.240 438 I C 2.672 178.885 176.117 0.160 0.000 1.078 438 I CA 1.347 62.702 61.300 0.092 0.000 1.343 438 I CB -0.334 37.648 38.000 -0.029 0.000 1.046 438 I HN 0.170 nan 8.210 nan 0.000 0.405 439 K N 1.075 121.552 120.400 0.128 0.000 2.032 439 K HA -0.192 4.129 4.320 0.001 0.000 0.209 439 K C 2.141 178.820 176.600 0.132 0.000 1.048 439 K CA 1.830 58.185 56.287 0.114 0.000 0.927 439 K CB -0.500 32.055 32.500 0.092 0.000 0.712 439 K HN 0.410 nan 8.250 nan 0.000 0.441 440 G N 0.444 109.337 108.800 0.155 0.000 2.459 440 G HA2 -0.252 3.708 3.960 0.001 0.000 0.217 440 G HA3 -0.252 3.708 3.960 0.001 0.000 0.217 440 G C 1.320 176.172 174.900 -0.080 0.000 1.183 440 G CA 0.948 46.067 45.100 0.031 0.000 0.776 440 G HN 0.291 nan 8.290 nan 0.000 0.552 441 F N 0.619 120.683 119.950 0.188 0.000 2.206 441 F HA 0.025 4.553 4.527 0.001 0.000 0.298 441 F C 3.053 178.887 175.800 0.057 0.000 1.090 441 F CA 1.294 59.368 58.000 0.124 0.000 1.323 441 F CB -0.258 38.824 39.000 0.137 0.000 1.028 441 F HN 0.124 nan 8.300 nan 0.000 0.492 442 Q N 0.131 120.061 119.800 0.216 0.000 2.077 442 Q HA -0.296 4.045 4.340 0.001 0.000 0.206 442 Q C 2.188 178.232 176.000 0.073 0.000 0.989 442 Q CA 2.067 57.943 55.803 0.122 0.000 0.853 442 Q CB -0.301 28.495 28.738 0.097 0.000 0.907 442 Q HN 0.553 nan 8.270 nan 0.000 0.418 443 Q N -0.116 119.726 119.800 0.070 0.000 2.119 443 Q HA -0.112 4.228 4.340 0.001 0.000 0.201 443 Q C 2.088 178.101 176.000 0.021 0.000 0.972 443 Q CA 1.000 56.818 55.803 0.026 0.000 0.847 443 Q CB -0.034 28.759 28.738 0.091 0.000 0.903 443 Q HN 0.422 nan 8.270 nan 0.000 0.433 444 I N 0.588 121.194 120.570 0.061 0.000 2.179 444 I HA -0.294 3.876 4.170 0.001 0.000 0.242 444 I C 2.179 178.281 176.117 -0.024 0.000 1.088 444 I CA 1.107 62.401 61.300 -0.009 0.000 1.357 444 I CB -0.322 37.562 38.000 -0.194 0.000 1.051 444 I HN 0.187 nan 8.210 nan 0.000 0.409 445 L N 0.720 121.954 121.223 0.018 0.000 2.081 445 L HA -0.228 4.112 4.340 0.001 0.000 0.212 445 L C 2.590 179.459 176.870 -0.001 0.000 1.080 445 L CA 1.419 56.271 54.840 0.019 0.000 0.754 445 L CB -0.592 41.497 42.059 0.050 0.000 0.893 445 L HN 0.283 nan 8.230 nan 0.000 0.433 446 A N -0.725 122.090 122.820 -0.007 0.000 2.235 446 A HA 0.223 4.543 4.320 0.001 0.000 0.208 446 A C 1.693 179.252 177.584 -0.041 0.000 1.172 446 A CA 0.782 52.806 52.037 -0.022 0.000 0.786 446 A CB -0.494 18.490 19.000 -0.027 0.000 0.804 446 A HN 0.563 nan 8.150 nan 0.000 0.479 447 G N -0.570 108.203 108.800 -0.045 0.000 2.136 447 G HA2 -0.265 3.695 3.960 0.001 0.000 0.242 447 G HA3 -0.265 3.695 3.960 0.001 0.000 0.242 447 G C 0.427 175.286 174.900 -0.069 0.000 0.989 447 G CA 0.535 45.610 45.100 -0.042 0.000 0.682 447 G HN 0.615 nan 8.290 nan 0.000 0.522 448 E N -1.174 118.925 120.200 -0.169 0.000 2.347 448 E HA 0.034 4.384 4.350 0.001 0.000 0.196 448 E C 0.784 177.096 176.600 -0.479 0.000 1.008 448 E CA 0.773 56.957 56.400 -0.360 0.000 0.852 448 E CB 0.016 29.382 29.700 -0.555 0.000 0.783 448 E HN 0.797 nan 8.360 nan 0.000 0.505 449 Y N -0.372 119.957 120.300 0.048 0.000 2.715 449 Y HA 0.132 4.683 4.550 0.000 0.000 0.255 449 Y C 0.823 176.704 175.900 -0.032 0.000 1.139 449 Y CA -0.635 57.469 58.100 0.005 0.000 1.151 449 Y CB 0.668 39.213 38.460 0.143 0.000 1.201 449 Y HN -0.108 nan 8.280 nan 0.000 0.556 450 D N 0.172 120.646 120.400 0.124 0.000 2.221 450 D HA -0.187 4.454 4.640 0.001 0.000 0.204 450 D C 2.000 178.366 176.300 0.110 0.000 0.982 450 D CA 1.528 55.580 54.000 0.086 0.000 0.857 450 D CB -0.100 40.741 40.800 0.069 0.000 0.934 450 D HN 0.627 nan 8.370 nan 0.000 0.475 451 H N -0.578 118.542 119.070 0.083 0.000 2.548 451 H HA 0.115 4.671 4.556 0.001 0.000 0.268 451 H C 0.783 176.168 175.328 0.094 0.000 0.975 451 H CA -0.011 56.079 56.048 0.070 0.000 1.195 451 H CB -0.169 29.621 29.762 0.047 0.000 1.397 451 H HN 0.101 nan 8.280 nan 0.000 0.572 452 L N 3.267 124.336 121.223 -0.257 0.000 2.375 452 L HA 0.300 4.641 4.340 0.001 0.000 0.271 452 L C -1.920 174.974 176.870 0.041 0.000 1.107 452 L CA -2.042 52.711 54.840 -0.145 0.000 0.806 452 L CB 1.153 43.103 42.059 -0.181 0.000 1.146 452 L HN 0.055 nan 8.230 nan 0.000 0.447 453 P HA 0.027 nan 4.420 nan 0.000 0.272 453 P C 0.241 177.625 177.300 0.139 0.000 1.223 453 P CA -0.219 62.911 63.100 0.050 0.000 0.784 453 P CB 1.023 32.728 31.700 0.008 0.000 0.923 454 E N 0.740 121.019 120.200 0.131 0.000 2.070 454 E HA -0.257 4.093 4.350 0.001 0.000 0.197 454 E C 1.742 178.476 176.600 0.222 0.000 1.004 454 E CA 1.390 57.893 56.400 0.172 0.000 0.805 454 E CB -0.022 29.713 29.700 0.059 0.000 0.744 454 E HN 0.364 nan 8.360 nan 0.000 0.451 455 Q N -0.614 119.253 119.800 0.111 0.000 2.364 455 Q HA -0.054 4.287 4.340 0.001 0.000 0.207 455 Q C 1.931 177.981 176.000 0.083 0.000 0.970 455 Q CA 0.957 56.823 55.803 0.105 0.000 0.888 455 Q CB -0.068 28.703 28.738 0.054 0.000 0.951 455 Q HN 0.335 nan 8.270 nan 0.000 0.469 456 A N -0.287 122.504 122.820 -0.047 0.000 2.024 456 A HA -0.147 4.173 4.320 0.001 0.000 0.220 456 A C 1.542 178.908 177.584 -0.364 0.000 1.164 456 A CA 1.065 52.937 52.037 -0.276 0.000 0.643 456 A CB -0.637 18.055 19.000 -0.513 0.000 0.806 456 A HN 0.311 nan 8.150 nan 0.000 0.451 457 F N -2.741 117.203 119.950 -0.010 0.000 2.743 457 F HA 0.171 4.698 4.527 0.001 0.000 0.297 457 F C 0.802 176.686 175.800 0.139 0.000 1.131 457 F CA -0.175 57.846 58.000 0.034 0.000 1.426 457 F CB -0.150 38.841 39.000 -0.015 0.000 1.116 457 F HN 0.283 nan 8.300 nan 0.000 0.583 458 Y N 1.367 121.739 120.300 0.121 0.000 2.402 458 Y HA 0.322 4.872 4.550 0.000 0.000 0.333 458 Y C 0.742 176.622 175.900 -0.033 0.000 1.076 458 Y CA -1.654 56.478 58.100 0.054 0.000 1.299 458 Y CB 0.435 38.915 38.460 0.033 0.000 1.197 458 Y HN 0.151 nan 8.280 nan 0.000 0.517 459 M N 4.991 124.179 119.600 -0.686 0.000 2.298 459 M HA -0.156 4.324 4.480 0.001 0.000 0.196 459 M C -1.708 174.323 176.300 -0.447 0.000 0.531 459 M CA 1.183 56.024 55.300 -0.765 0.000 0.459 459 M CB -1.617 30.241 32.600 -1.237 0.000 1.279 459 M HN 0.499 nan 8.290 nan 0.000 0.915 460 V N -2.598 117.173 119.914 -0.240 0.000 3.155 460 V HA 1.102 5.222 4.120 0.001 0.000 0.313 460 V C 0.832 176.859 176.094 -0.112 0.000 1.162 460 V CA -0.206 62.014 62.300 -0.133 0.000 1.048 460 V CB 1.449 33.248 31.823 -0.040 0.000 1.092 460 V HN 0.452 nan 8.190 nan 0.000 0.447 461 G N 0.249 109.016 108.800 -0.055 0.000 2.964 461 G HA2 0.430 4.390 3.960 0.001 0.000 0.191 461 G HA3 0.430 4.390 3.960 0.001 0.000 0.191 461 G C -2.125 172.770 174.900 -0.009 0.000 1.978 461 G CA -0.106 44.965 45.100 -0.049 0.000 0.861 461 G HN 0.788 nan 8.290 nan 0.000 0.584 462 P HA 0.164 nan 4.420 nan 0.000 0.274 462 P C 0.596 178.036 177.300 0.233 0.000 1.246 462 P CA -0.530 62.661 63.100 0.152 0.000 0.795 462 P CB 1.590 33.338 31.700 0.081 0.000 1.006 463 I N 0.766 121.470 120.570 0.224 0.000 2.567 463 I HA -0.225 3.945 4.170 0.001 0.000 0.257 463 I C 1.826 177.831 176.117 -0.187 0.000 1.184 463 I CA 1.649 62.875 61.300 -0.124 0.000 1.451 463 I CB -0.689 37.126 38.000 -0.308 0.000 1.089 463 I HN 0.256 nan 8.210 nan 0.000 0.441 464 E N 0.456 120.617 120.200 -0.064 0.000 2.153 464 E HA -0.216 4.135 4.350 0.001 0.000 0.194 464 E C 2.049 178.594 176.600 -0.092 0.000 0.988 464 E CA 1.217 57.577 56.400 -0.065 0.000 0.811 464 E CB -0.195 29.497 29.700 -0.013 0.000 0.746 464 E HN 0.570 nan 8.360 nan 0.000 0.466 465 E N -0.086 120.072 120.200 -0.071 0.000 2.152 465 E HA -0.094 4.256 4.350 0.001 0.000 0.192 465 E C 1.963 178.469 176.600 -0.157 0.000 0.983 465 E CA 0.744 57.097 56.400 -0.078 0.000 0.818 465 E CB -0.059 29.620 29.700 -0.034 0.000 0.758 465 E HN 0.279 nan 8.360 nan 0.000 0.467 466 A N 0.874 123.540 122.820 -0.256 0.000 1.898 466 A HA -0.117 4.203 4.320 0.001 0.000 0.216 466 A C 2.462 179.728 177.584 -0.531 0.000 1.181 466 A CA 0.934 52.669 52.037 -0.503 0.000 0.620 466 A CB -0.514 17.978 19.000 -0.848 0.000 0.819 466 A HN 0.095 nan 8.150 nan 0.000 0.442 467 V N -0.008 119.649 119.914 -0.428 0.000 2.261 467 V HA -0.253 3.867 4.120 0.001 0.000 0.246 467 V C 3.071 179.063 176.094 -0.171 0.000 1.047 467 V CA 1.984 64.118 62.300 -0.277 0.000 1.015 467 V CB -1.332 30.404 31.823 -0.146 0.000 0.642 467 V HN 0.598 nan 8.190 nan 0.000 0.446 468 A N -0.482 122.258 122.820 -0.133 0.000 1.940 468 A HA -0.283 4.037 4.320 0.001 0.000 0.219 468 A C 2.357 179.887 177.584 -0.090 0.000 1.176 468 A CA 2.268 54.254 52.037 -0.085 0.000 0.631 468 A CB -0.500 18.463 19.000 -0.060 0.000 0.814 468 A HN 0.525 nan 8.150 nan 0.000 0.446 469 K N -0.519 119.804 120.400 -0.128 0.000 2.097 469 K HA -0.022 4.298 4.320 0.001 0.000 0.205 469 K C 2.175 178.704 176.600 -0.117 0.000 1.050 469 K CA 0.992 57.212 56.287 -0.111 0.000 0.938 469 K CB -0.280 32.142 32.500 -0.131 0.000 0.718 469 K HN 0.388 nan 8.250 nan 0.000 0.442 470 A N 1.586 124.301 122.820 -0.175 0.000 1.902 470 A HA -0.189 4.131 4.320 0.001 0.000 0.217 470 A C 1.540 179.079 177.584 -0.075 0.000 1.181 470 A CA 2.012 53.961 52.037 -0.147 0.000 0.623 470 A CB -0.483 18.392 19.000 -0.208 0.000 0.818 470 A HN 0.340 nan 8.150 nan 0.000 0.443 471 D N -0.487 119.876 120.400 -0.063 0.000 2.117 471 D HA -0.130 4.510 4.640 0.001 0.000 0.198 471 D C 1.872 178.158 176.300 -0.023 0.000 0.982 471 D CA 1.477 55.459 54.000 -0.029 0.000 0.828 471 D CB -0.265 40.521 40.800 -0.023 0.000 0.967 471 D HN 0.569 nan 8.370 nan 0.000 0.464 472 K N 0.453 120.835 120.400 -0.029 0.000 2.148 472 K HA -0.043 4.278 4.320 0.001 0.000 0.204 472 K C 2.042 178.634 176.600 -0.012 0.000 1.050 472 K CA 0.531 56.808 56.287 -0.018 0.000 0.942 472 K CB -0.068 32.422 32.500 -0.017 0.000 0.724 472 K HN 0.122 nan 8.250 nan 0.000 0.446 473 L N 0.321 121.532 121.223 -0.020 0.000 2.291 473 L HA -0.078 4.262 4.340 0.001 0.000 0.214 473 L C 2.438 179.304 176.870 -0.005 0.000 1.120 473 L CA 0.667 55.501 54.840 -0.011 0.000 0.799 473 L CB -0.339 41.708 42.059 -0.019 0.000 0.925 473 L HN 0.241 nan 8.230 nan 0.000 0.446 474 A N -0.333 122.483 122.820 -0.006 0.000 1.841 474 A HA -0.097 4.224 4.320 0.001 0.000 0.214 474 A C 1.024 178.610 177.584 0.003 0.000 1.195 474 A CA 1.569 53.606 52.037 0.001 0.000 0.611 474 A CB -0.021 18.981 19.000 0.004 0.000 0.835 474 A HN 0.406 nan 8.150 nan 0.000 0.443 475 E N 0.000 120.201 120.200 0.001 0.000 2.725 475 E HA 0.000 4.350 4.350 0.001 0.000 0.291 475 E CA 0.000 56.401 56.400 0.002 0.000 0.976 475 E CB 0.000 29.702 29.700 0.003 0.000 0.812 475 E HN 0.000 nan 8.360 nan 0.000 0.440