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 1cow_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 0.000 174.873 174.700 0.288 0.000 1.109 9 T CA 0.000 62.196 62.100 0.159 0.000 1.349 9 T CB 0.000 68.941 68.868 0.121 0.000 0.612 10 T N 1.276 116.009 114.554 0.298 0.000 2.881 10 T HA 0.764 5.114 4.350 -0.000 0.000 0.291 10 T C 0.336 174.938 174.700 -0.163 0.000 0.990 10 T CA -0.420 61.752 62.100 0.121 0.000 0.976 10 T CB 1.417 70.301 68.868 0.027 0.000 0.970 10 T HN 1.151 nan 8.240 nan 0.000 0.438 11 G N 2.030 110.372 108.800 -0.763 0.000 2.667 11 G HA2 0.799 4.759 3.960 -0.000 0.000 0.310 11 G HA3 0.799 4.759 3.960 -0.000 0.000 0.310 11 G C -0.958 173.597 174.900 -0.575 0.000 1.259 11 G CA -1.071 43.292 45.100 -1.228 0.000 1.019 11 G HN 0.651 nan 8.290 nan 0.000 0.496 12 R N -0.879 119.366 120.500 -0.426 0.000 2.803 12 R HA 0.494 4.834 4.340 -0.000 0.000 0.276 12 R C -0.628 175.558 176.300 -0.191 0.000 0.978 12 R CA -0.894 55.065 56.100 -0.235 0.000 0.939 12 R CB 2.334 32.541 30.300 -0.155 0.000 1.179 12 R HN 0.340 nan 8.270 nan 0.000 0.472 13 I N 2.209 122.704 120.570 -0.125 0.000 2.529 13 I HA -0.016 4.154 4.170 -0.000 0.000 0.284 13 I C 1.381 177.458 176.117 -0.067 0.000 1.082 13 I CA -0.058 61.191 61.300 -0.085 0.000 1.406 13 I CB 1.377 39.342 38.000 -0.058 0.000 1.405 13 I HN 0.589 nan 8.210 nan 0.000 0.548 14 V N 2.724 122.607 119.914 -0.052 0.000 3.570 14 V HA 0.579 4.699 4.120 -0.000 0.000 0.257 14 V C 0.511 176.590 176.094 -0.025 0.000 1.272 14 V CA 0.310 62.586 62.300 -0.039 0.000 1.079 14 V CB 0.374 32.175 31.823 -0.037 0.000 0.829 14 V HN 0.707 nan 8.190 nan 0.000 0.454 15 A N -0.036 122.773 122.820 -0.020 0.000 2.547 15 A HA 0.817 5.137 4.320 -0.000 0.000 0.297 15 A C -1.250 176.328 177.584 -0.009 0.000 1.056 15 A CA -0.384 51.645 52.037 -0.012 0.000 0.688 15 A CB 2.221 21.217 19.000 -0.007 0.000 1.282 15 A HN 0.593 nan 8.150 nan 0.000 0.400 16 V N 2.473 122.382 119.914 -0.008 0.000 2.525 16 V HA 0.581 4.701 4.120 -0.000 0.000 0.299 16 V C -0.700 175.392 176.094 -0.004 0.000 1.034 16 V CA -0.122 62.175 62.300 -0.005 0.000 0.863 16 V CB 1.406 33.225 31.823 -0.006 0.000 0.999 16 V HN 0.735 nan 8.190 nan 0.000 0.423 17 I N 4.351 124.920 120.570 -0.001 0.000 2.603 17 I HA 0.577 4.747 4.170 -0.000 0.000 0.276 17 I C 0.775 176.891 176.117 -0.001 0.000 1.133 17 I CA 0.065 61.364 61.300 -0.002 0.000 1.070 17 I CB 1.369 39.368 38.000 -0.001 0.000 1.215 17 I HN 0.918 nan 8.210 nan 0.000 0.487 18 G N 4.082 112.881 108.800 -0.001 0.000 2.528 18 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.262 18 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.262 18 G C 0.812 175.713 174.900 0.000 0.000 1.200 18 G CA 0.304 45.403 45.100 -0.001 0.000 0.951 18 G HN 0.806 nan 8.290 nan 0.000 0.566 19 A N -0.858 121.962 122.820 -0.000 0.000 2.209 19 A HA 0.486 4.805 4.320 -0.000 0.000 0.212 19 A C 1.157 178.745 177.584 0.006 0.000 1.158 19 A CA 1.955 53.993 52.037 0.003 0.000 0.742 19 A CB -0.167 18.832 19.000 -0.001 0.000 0.790 19 A HN 1.564 nan 8.150 nan 0.000 0.472 20 V N 0.865 120.782 119.914 0.005 0.000 2.370 20 V HA 0.414 4.534 4.120 -0.000 0.000 0.279 20 V C -0.533 175.567 176.094 0.010 0.000 1.029 20 V CA -0.451 61.855 62.300 0.010 0.000 0.870 20 V CB 1.340 33.167 31.823 0.008 0.000 0.984 20 V HN 0.063 nan 8.190 nan 0.000 0.451 21 V N 3.900 123.824 119.914 0.016 0.000 2.531 21 V HA 0.468 4.588 4.120 -0.000 0.000 0.301 21 V C -0.727 175.380 176.094 0.021 0.000 1.034 21 V CA -0.764 61.544 62.300 0.013 0.000 0.865 21 V CB 2.092 33.922 31.823 0.012 0.000 0.995 21 V HN 0.791 nan 8.190 nan 0.000 0.424 22 D N 3.124 123.531 120.400 0.012 0.000 2.198 22 D HA 0.573 5.213 4.640 -0.000 0.000 0.245 22 D C -0.562 175.739 176.300 0.001 0.000 1.079 22 D CA -0.009 54.001 54.000 0.017 0.000 0.854 22 D CB 2.350 43.157 40.800 0.011 0.000 1.148 22 D HN 0.257 nan 8.370 nan 0.000 0.456 23 V N 2.361 122.285 119.914 0.018 0.000 2.604 23 V HA 0.288 4.408 4.120 -0.000 0.000 0.305 23 V C -0.121 175.941 176.094 -0.053 0.000 1.043 23 V CA -0.834 61.437 62.300 -0.049 0.000 0.888 23 V CB 2.151 33.956 31.823 -0.030 0.000 0.995 23 V HN 0.382 nan 8.190 nan 0.000 0.429 24 Q N 2.863 122.560 119.800 -0.172 0.000 2.347 24 Q HA 0.531 4.871 4.340 -0.000 0.000 0.262 24 Q C -1.732 174.120 176.000 -0.247 0.000 0.980 24 Q CA -0.419 55.315 55.803 -0.116 0.000 0.867 24 Q CB 1.276 29.963 28.738 -0.084 0.000 1.242 24 Q HN 0.652 nan 8.270 nan 0.000 0.453 25 F N 2.062 121.984 119.950 -0.046 0.000 2.404 25 F HA 0.192 4.719 4.527 -0.000 0.000 0.339 25 F C 1.163 176.939 175.800 -0.039 0.000 1.105 25 F CA -0.344 57.631 58.000 -0.041 0.000 1.087 25 F CB 1.282 40.252 39.000 -0.050 0.000 1.143 25 F HN 0.578 nan 8.300 nan 0.000 0.491 26 D N 1.497 121.964 120.400 0.112 0.000 2.137 26 D HA -0.062 4.578 4.640 -0.000 0.000 0.202 26 D C 0.114 176.456 176.300 0.069 0.000 0.970 26 D CA 1.138 55.173 54.000 0.059 0.000 0.837 26 D CB 0.200 41.016 40.800 0.026 0.000 0.981 26 D HN 0.668 nan 8.370 nan 0.000 0.475 27 E N -0.535 119.723 120.200 0.097 0.000 2.248 27 E HA 0.520 4.870 4.350 -0.000 0.000 0.267 27 E C -0.130 176.507 176.600 0.062 0.000 0.877 27 E CA -1.198 55.240 56.400 0.063 0.000 0.759 27 E CB 2.041 31.769 29.700 0.048 0.000 1.182 27 E HN 0.002 nan 8.360 nan 0.000 0.418 28 G N 2.143 110.946 108.800 0.005 0.000 2.675 28 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.196 28 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.196 28 G C -0.800 173.998 174.900 -0.169 0.000 0.679 28 G CA -0.401 44.665 45.100 -0.056 0.000 0.886 28 G HN 0.395 nan 8.290 nan 0.000 0.320 29 L N 6.090 127.199 121.223 -0.190 0.000 2.278 29 L HA 0.477 4.817 4.340 -0.000 0.000 0.287 29 L C -1.199 175.479 176.870 -0.320 0.000 1.072 29 L CA -1.851 52.791 54.840 -0.331 0.000 0.819 29 L CB 0.814 42.704 42.059 -0.282 0.000 1.176 29 L HN 0.420 nan 8.230 nan 0.000 0.435 30 P HA 0.150 nan 4.420 nan 0.000 0.267 30 P C -2.631 174.653 177.300 -0.025 0.000 1.205 30 P CA -1.068 61.846 63.100 -0.309 0.000 0.765 30 P CB -0.134 31.315 31.700 -0.418 0.000 0.828 31 P HA 0.140 nan 4.420 nan 0.000 0.271 31 P C 0.477 177.756 177.300 -0.036 0.000 1.244 31 P CA -0.119 62.984 63.100 0.006 0.000 0.793 31 P CB 0.572 32.244 31.700 -0.046 0.000 0.984 32 I N 1.664 122.141 120.570 -0.156 0.000 2.648 32 I HA -0.073 4.097 4.170 -0.000 0.000 0.284 32 I C 1.539 177.576 176.117 -0.133 0.000 1.153 32 I CA 0.545 61.753 61.300 -0.153 0.000 1.426 32 I CB -0.249 37.618 38.000 -0.223 0.000 1.381 32 I HN 0.421 nan 8.210 nan 0.000 0.571 33 L N 1.981 123.127 121.223 -0.128 0.000 3.271 33 L HA -0.233 4.107 4.340 -0.000 0.000 0.429 33 L C 0.294 177.133 176.870 -0.053 0.000 0.724 33 L CA 0.153 54.888 54.840 -0.175 0.000 2.742 33 L CB -1.411 40.457 42.059 -0.318 0.000 0.986 33 L HN 0.673 nan 8.230 nan 0.000 0.656 34 N N 1.270 119.950 118.700 -0.033 0.000 2.407 34 N HA 0.418 5.158 4.740 -0.000 0.000 0.250 34 N C 0.220 175.745 175.510 0.026 0.000 1.236 34 N CA 1.074 54.120 53.050 -0.006 0.000 0.879 34 N CB 0.805 39.274 38.487 -0.030 0.000 1.088 34 N HN 0.338 nan 8.380 nan 0.000 0.450 35 A N 2.522 125.364 122.820 0.037 0.000 2.301 35 A HA 0.664 4.984 4.320 -0.000 0.000 0.312 35 A C -0.553 177.063 177.584 0.052 0.000 1.182 35 A CA -0.604 51.464 52.037 0.051 0.000 0.826 35 A CB 0.322 19.352 19.000 0.050 0.000 1.134 35 A HN 0.606 nan 8.150 nan 0.000 0.501 36 L N 1.643 122.910 121.223 0.072 0.000 2.354 36 L HA 0.565 4.905 4.340 -0.000 0.000 0.269 36 L C -0.342 176.570 176.870 0.071 0.000 1.005 36 L CA -0.791 54.108 54.840 0.097 0.000 0.819 36 L CB 1.876 44.034 42.059 0.164 0.000 1.311 36 L HN 0.645 nan 8.230 nan 0.000 0.423 37 E N 1.946 122.183 120.200 0.061 0.000 2.171 37 E HA 0.362 4.712 4.350 -0.000 0.000 0.271 37 E C -0.963 175.655 176.600 0.030 0.000 0.916 37 E CA -0.763 55.659 56.400 0.037 0.000 0.774 37 E CB 3.055 32.769 29.700 0.024 0.000 1.128 37 E HN 0.201 nan 8.360 nan 0.000 0.403 38 V N 4.042 123.967 119.914 0.019 0.000 2.508 38 V HA -0.014 4.106 4.120 -0.000 0.000 0.281 38 V C 0.592 176.686 176.094 0.000 0.000 1.041 38 V CA -0.308 61.996 62.300 0.006 0.000 1.016 38 V CB 0.825 32.650 31.823 0.003 0.000 0.984 38 V HN 0.506 nan 8.190 nan 0.000 0.478 39 Q N 2.785 122.581 119.800 -0.007 0.000 2.306 39 Q HA 0.403 4.743 4.340 -0.000 0.000 0.241 39 Q C 1.102 177.096 176.000 -0.010 0.000 0.948 39 Q CA 0.495 56.294 55.803 -0.007 0.000 0.886 39 Q CB 1.156 29.887 28.738 -0.011 0.000 1.227 39 Q HN 1.143 nan 8.270 nan 0.000 0.457 40 G N 1.774 110.569 108.800 -0.008 0.000 2.171 40 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.238 40 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.238 40 G C -0.163 174.733 174.900 -0.006 0.000 1.039 40 G CA -0.076 45.019 45.100 -0.008 0.000 0.759 40 G HN 0.434 nan 8.290 nan 0.000 0.501 41 R N -0.625 119.872 120.500 -0.004 0.000 2.621 41 R HA 0.378 4.718 4.340 -0.000 0.000 0.292 41 R C 0.746 177.046 176.300 -0.001 0.000 0.969 41 R CA -0.988 55.110 56.100 -0.002 0.000 0.887 41 R CB 1.127 31.427 30.300 -0.001 0.000 1.180 41 R HN 0.038 nan 8.270 nan 0.000 0.450 42 E N 0.669 120.869 120.200 -0.001 0.000 2.171 42 E HA -0.111 4.239 4.350 -0.000 0.000 0.197 42 E C 0.638 177.239 176.600 0.001 0.000 0.997 42 E CA 1.480 57.880 56.400 -0.000 0.000 0.810 42 E CB 0.084 29.784 29.700 -0.000 0.000 0.738 42 E HN 0.661 nan 8.360 nan 0.000 0.467 43 T N -1.976 112.579 114.554 0.002 0.000 2.912 43 T HA 0.466 4.816 4.350 -0.000 0.000 0.288 43 T C 0.090 174.793 174.700 0.005 0.000 1.030 43 T CA -0.996 61.106 62.100 0.003 0.000 1.020 43 T CB 2.375 71.245 68.868 0.004 0.000 1.056 43 T HN -0.092 nan 8.240 nan 0.000 0.480 44 R N 1.391 121.894 120.500 0.006 0.000 2.399 44 R HA 0.317 4.657 4.340 -0.000 0.000 0.324 44 R C -0.998 175.308 176.300 0.011 0.000 1.030 44 R CA -0.564 55.540 56.100 0.008 0.000 0.984 44 R CB -0.233 30.072 30.300 0.008 0.000 0.961 44 R HN 0.543 nan 8.270 nan 0.000 0.433 45 L N 6.265 127.494 121.223 0.012 0.000 2.287 45 L HA 0.368 4.707 4.340 -0.000 0.000 0.287 45 L C -1.196 175.687 176.870 0.021 0.000 1.022 45 L CA -0.511 54.338 54.840 0.015 0.000 0.814 45 L CB 1.829 43.895 42.059 0.012 0.000 1.217 45 L HN 0.358 nan 8.230 nan 0.000 0.420 46 V N 6.253 126.183 119.914 0.026 0.000 2.483 46 V HA 0.489 4.609 4.120 -0.000 0.000 0.295 46 V C -0.072 176.045 176.094 0.040 0.000 1.035 46 V CA -0.651 61.669 62.300 0.035 0.000 0.896 46 V CB 1.748 33.593 31.823 0.035 0.000 0.986 46 V HN 0.577 nan 8.190 nan 0.000 0.447 47 L N 3.793 125.046 121.223 0.050 0.000 2.305 47 L HA 0.579 4.919 4.340 -0.000 0.000 0.284 47 L C 0.027 176.937 176.870 0.066 0.000 1.013 47 L CA -0.322 54.551 54.840 0.056 0.000 0.819 47 L CB 1.739 43.835 42.059 0.062 0.000 1.227 47 L HN 0.649 nan 8.230 nan 0.000 0.417 48 E N 2.452 122.690 120.200 0.064 0.000 2.200 48 E HA 0.295 4.645 4.350 -0.000 0.000 0.283 48 E C -0.869 175.766 176.600 0.058 0.000 1.015 48 E CA -0.757 55.684 56.400 0.068 0.000 0.819 48 E CB 1.783 31.537 29.700 0.090 0.000 1.081 48 E HN 0.324 nan 8.360 nan 0.000 0.397 49 V N 4.286 124.231 119.914 0.052 0.000 2.529 49 V HA 0.028 4.148 4.120 -0.000 0.000 0.292 49 V C 0.942 177.053 176.094 0.029 0.000 1.028 49 V CA 0.885 63.221 62.300 0.059 0.000 1.074 49 V CB 0.802 32.663 31.823 0.065 0.000 0.958 49 V HN 0.881 nan 8.190 nan 0.000 0.481 50 A N 4.322 127.167 122.820 0.041 0.000 2.055 50 A HA 0.331 4.651 4.320 -0.000 0.000 0.205 50 A C 0.734 178.324 177.584 0.010 0.000 1.235 50 A CA 0.316 52.362 52.037 0.015 0.000 0.822 50 A CB 0.339 19.352 19.000 0.022 0.000 0.903 50 A HN 0.771 nan 8.150 nan 0.000 0.473 51 Q N -1.501 118.332 119.800 0.055 0.000 2.482 51 Q HA 0.352 4.692 4.340 -0.000 0.000 0.286 51 Q C -1.656 174.463 176.000 0.198 0.000 1.007 51 Q CA -0.574 55.269 55.803 0.067 0.000 0.801 51 Q CB 1.772 30.541 28.738 0.051 0.000 1.455 51 Q HN 0.599 nan 8.270 nan 0.000 0.398 52 H N 1.933 121.004 119.070 0.001 0.000 2.685 52 H HA 0.237 4.793 4.556 -0.000 0.000 0.286 52 H C 0.558 175.892 175.328 0.010 0.000 1.102 52 H CA -0.235 55.817 56.048 0.007 0.000 1.254 52 H CB 0.752 30.511 29.762 -0.004 0.000 1.397 52 H HN 0.435 nan 8.280 nan 0.000 0.473 53 L N 2.705 123.989 121.223 0.100 0.000 2.291 53 L HA 0.107 4.447 4.340 -0.000 0.000 0.214 53 L C 1.224 178.118 176.870 0.041 0.000 1.120 53 L CA 0.682 55.557 54.840 0.058 0.000 0.799 53 L CB -0.094 41.989 42.059 0.040 0.000 0.925 53 L HN 0.803 nan 8.230 nan 0.000 0.446 54 G N -0.094 108.724 108.800 0.029 0.000 2.619 54 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.686 54 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.686 54 G C -0.016 174.883 174.900 -0.002 0.000 1.256 54 G CA -0.380 44.728 45.100 0.013 0.000 0.826 54 G HN 0.280 nan 8.290 nan 0.000 0.619 55 E N -0.958 119.239 120.200 -0.006 0.000 2.957 55 E HA -0.219 4.131 4.350 -0.000 0.000 0.287 55 E C 0.927 177.522 176.600 -0.009 0.000 0.976 55 E CA 1.038 57.435 56.400 -0.005 0.000 0.907 55 E CB -1.744 27.955 29.700 -0.001 0.000 1.456 55 E HN 2.195 nan 8.360 nan 0.000 0.421 56 S N -1.940 113.744 115.700 -0.026 0.000 3.682 56 S HA -0.209 4.261 4.470 -0.000 0.000 0.354 56 S C -0.046 174.560 174.600 0.011 0.000 1.034 56 S CA 1.369 59.555 58.200 -0.024 0.000 1.084 56 S CB -1.235 61.971 63.200 0.010 0.000 0.903 56 S HN 0.400 nan 8.310 nan 0.000 0.470 57 T N 1.333 115.880 114.554 -0.011 0.000 2.881 57 T HA 0.638 4.988 4.350 -0.000 0.000 0.290 57 T C 0.113 174.825 174.700 0.019 0.000 1.000 57 T CA -0.354 61.760 62.100 0.023 0.000 0.978 57 T CB 1.899 70.774 68.868 0.013 0.000 0.997 57 T HN 0.709 nan 8.240 nan 0.000 0.443 58 V N 1.525 121.485 119.914 0.075 0.000 2.628 58 V HA 0.771 4.891 4.120 -0.000 0.000 0.306 58 V C -0.224 175.930 176.094 0.100 0.000 1.045 58 V CA -1.349 61.013 62.300 0.102 0.000 0.905 58 V CB 1.664 33.576 31.823 0.149 0.000 0.997 58 V HN 0.852 nan 8.190 nan 0.000 0.436 59 R N 2.507 123.063 120.500 0.094 0.000 2.312 59 R HA 0.739 5.079 4.340 -0.000 0.000 0.311 59 R C -0.094 176.247 176.300 0.068 0.000 1.004 59 R CA 0.361 56.500 56.100 0.066 0.000 0.902 59 R CB 1.453 31.782 30.300 0.049 0.000 1.073 59 R HN 1.167 nan 8.270 nan 0.000 0.457 60 T N 2.080 116.669 114.554 0.058 0.000 2.901 60 T HA 0.507 4.857 4.350 -0.000 0.000 0.293 60 T C 0.131 174.855 174.700 0.040 0.000 1.084 60 T CA -1.065 61.069 62.100 0.056 0.000 1.008 60 T CB 1.078 69.990 68.868 0.072 0.000 1.170 60 T HN 0.590 nan 8.240 nan 0.000 0.509 61 I N 0.186 120.779 120.570 0.039 0.000 2.354 61 I HA 0.776 4.946 4.170 -0.000 0.000 0.292 61 I C 0.261 176.398 176.117 0.033 0.000 0.989 61 I CA -1.368 59.950 61.300 0.030 0.000 1.188 61 I CB 1.096 39.111 38.000 0.025 0.000 1.342 61 I HN 0.876 nan 8.210 nan 0.000 0.457 62 A N 7.056 129.891 122.820 0.025 0.000 2.440 62 A HA 0.400 4.720 4.320 -0.000 0.000 0.251 62 A C 0.815 178.414 177.584 0.025 0.000 1.089 62 A CA -0.431 51.621 52.037 0.025 0.000 0.779 62 A CB 0.488 19.498 19.000 0.017 0.000 1.022 62 A HN 0.848 nan 8.150 nan 0.000 0.492 63 M N 1.232 120.849 119.600 0.028 0.000 2.563 63 M HA 0.179 4.659 4.480 -0.000 0.000 0.231 63 M C -0.022 176.291 176.300 0.021 0.000 1.136 63 M CA 0.563 55.879 55.300 0.027 0.000 1.026 63 M CB -1.383 31.235 32.600 0.030 0.000 1.597 63 M HN 0.826 nan 8.290 nan 0.000 0.495 64 D N -1.543 118.867 120.400 0.017 0.000 2.865 64 D HA 0.381 5.021 4.640 -0.000 0.000 0.343 64 D C -0.497 175.809 176.300 0.010 0.000 1.372 64 D CA -0.186 53.822 54.000 0.013 0.000 0.862 64 D CB 0.538 41.346 40.800 0.013 0.000 1.425 64 D HN 0.106 nan 8.370 nan 0.000 0.501 65 G N -0.757 108.047 108.800 0.008 0.000 2.391 65 G HA2 0.320 4.280 3.960 -0.000 0.000 0.234 65 G HA3 0.320 4.280 3.960 -0.000 0.000 0.234 65 G C 0.823 175.726 174.900 0.005 0.000 1.284 65 G CA 0.817 45.920 45.100 0.005 0.000 0.873 65 G HN 0.422 nan 8.290 nan 0.000 0.549 66 T N -1.123 113.433 114.554 0.003 0.000 3.092 66 T HA 0.217 4.567 4.350 -0.000 0.000 0.258 66 T C 0.372 175.071 174.700 -0.001 0.000 1.031 66 T CA -0.261 61.840 62.100 0.002 0.000 0.925 66 T CB 0.144 69.013 68.868 0.001 0.000 1.036 66 T HN 0.517 nan 8.240 nan 0.000 0.544 67 E N 1.547 121.747 120.200 -0.000 0.000 2.415 67 E HA 0.459 4.809 4.350 -0.000 0.000 0.262 67 E C 1.472 178.070 176.600 -0.003 0.000 1.038 67 E CA 0.704 57.103 56.400 -0.001 0.000 0.921 67 E CB -0.347 29.352 29.700 -0.001 0.000 0.950 67 E HN 0.291 nan 8.360 nan 0.000 0.438 68 G N 1.234 110.032 108.800 -0.004 0.000 2.234 68 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.260 68 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.260 68 G C 0.131 175.027 174.900 -0.007 0.000 0.987 68 G CA 0.167 45.264 45.100 -0.005 0.000 0.625 68 G HN 0.370 nan 8.290 nan 0.000 0.532 69 L N 0.546 121.764 121.223 -0.007 0.000 2.452 69 L HA 0.579 4.919 4.340 -0.000 0.000 0.267 69 L C 0.565 177.427 176.870 -0.013 0.000 1.188 69 L CA -0.572 54.261 54.840 -0.010 0.000 0.821 69 L CB 1.331 43.384 42.059 -0.010 0.000 1.102 69 L HN 0.007 nan 8.230 nan 0.000 0.470 70 V N 2.037 121.940 119.914 -0.017 0.000 2.789 70 V HA 0.381 4.501 4.120 -0.000 0.000 0.311 70 V C -0.002 176.077 176.094 -0.025 0.000 1.073 70 V CA -0.959 61.329 62.300 -0.019 0.000 0.921 70 V CB 1.965 33.777 31.823 -0.018 0.000 1.009 70 V HN 0.636 nan 8.190 nan 0.000 0.426 71 R N 1.794 122.280 120.500 -0.023 0.000 2.538 71 R HA 0.389 4.729 4.340 -0.000 0.000 0.282 71 R C 1.328 177.607 176.300 -0.035 0.000 1.009 71 R CA 1.388 57.471 56.100 -0.029 0.000 1.063 71 R CB 0.164 30.449 30.300 -0.024 0.000 0.945 71 R HN 1.222 nan 8.270 nan 0.000 0.414 72 G N 1.740 110.512 108.800 -0.046 0.000 2.234 72 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.235 72 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.235 72 G C 0.225 175.090 174.900 -0.058 0.000 0.997 72 G CA 0.016 45.085 45.100 -0.052 0.000 0.623 72 G HN 0.601 nan 8.290 nan 0.000 0.514 73 Q N 1.075 120.843 119.800 -0.052 0.000 2.369 73 Q HA 0.344 4.684 4.340 -0.000 0.000 0.295 73 Q C 0.422 176.380 176.000 -0.071 0.000 1.075 73 Q CA 0.576 56.348 55.803 -0.051 0.000 0.941 73 Q CB 0.272 28.987 28.738 -0.038 0.000 1.260 73 Q HN 0.462 nan 8.270 nan 0.000 0.417 74 K N 1.305 121.668 120.400 -0.062 0.000 2.185 74 K HA 0.421 4.741 4.320 -0.000 0.000 0.271 74 K C -1.287 175.269 176.600 -0.072 0.000 1.013 74 K CA -0.403 55.838 56.287 -0.077 0.000 0.943 74 K CB 1.283 33.750 32.500 -0.055 0.000 0.998 74 K HN 0.311 nan 8.250 nan 0.000 0.468 75 V N 4.437 124.290 119.914 -0.102 0.000 2.711 75 V HA 0.278 4.398 4.120 -0.000 0.000 0.304 75 V C -1.002 175.101 176.094 0.014 0.000 1.097 75 V CA -0.824 61.443 62.300 -0.055 0.000 0.906 75 V CB 1.606 33.370 31.823 -0.099 0.000 1.015 75 V HN 0.586 nan 8.190 nan 0.000 0.427 76 L N 3.445 124.720 121.223 0.087 0.000 2.295 76 L HA 0.529 4.869 4.340 -0.000 0.000 0.285 76 L C -0.102 176.887 176.870 0.199 0.000 1.035 76 L CA -0.590 54.340 54.840 0.149 0.000 0.806 76 L CB 1.580 43.685 42.059 0.077 0.000 1.214 76 L HN 0.637 nan 8.230 nan 0.000 0.426 77 D N 1.214 121.756 120.400 0.236 0.000 2.371 77 D HA -0.025 4.615 4.640 -0.000 0.000 0.256 77 D C 1.175 177.499 176.300 0.039 0.000 1.193 77 D CA -0.043 54.011 54.000 0.090 0.000 0.881 77 D CB 1.377 42.114 40.800 -0.106 0.000 1.143 77 D HN 0.526 nan 8.370 nan 0.000 0.473 78 S N 3.040 118.758 115.700 0.030 0.000 2.547 78 S HA 0.034 4.504 4.470 -0.000 0.000 0.235 78 S C 1.800 176.394 174.600 -0.009 0.000 0.980 78 S CA 0.623 58.828 58.200 0.009 0.000 0.941 78 S CB -0.653 62.552 63.200 0.008 0.000 0.763 78 S HN 1.094 nan 8.310 nan 0.000 0.532 79 G N 0.045 108.832 108.800 -0.020 0.000 2.155 79 G HA2 0.069 4.029 3.960 -0.000 0.000 0.257 79 G HA3 0.069 4.029 3.960 -0.000 0.000 0.257 79 G C 0.172 175.059 174.900 -0.021 0.000 0.983 79 G CA 0.004 45.087 45.100 -0.029 0.000 0.676 79 G HN 1.770 nan 8.290 nan 0.000 0.528 80 A N -0.993 121.821 122.820 -0.010 0.000 2.590 80 A HA 0.800 5.120 4.320 -0.000 0.000 0.296 80 A C -2.766 174.832 177.584 0.023 0.000 1.050 80 A CA -0.396 51.642 52.037 0.003 0.000 0.697 80 A CB 1.275 20.277 19.000 0.003 0.000 1.277 80 A HN 0.247 nan 8.150 nan 0.000 0.411 81 P HA 0.205 nan 4.420 nan 0.000 0.271 81 P C -0.134 177.220 177.300 0.090 0.000 1.233 81 P CA 0.080 63.238 63.100 0.096 0.000 0.795 81 P CB 0.229 32.028 31.700 0.165 0.000 0.936 82 I N 1.085 121.720 120.570 0.108 0.000 2.742 82 I HA -0.063 4.107 4.170 -0.000 0.000 0.287 82 I C 1.293 177.441 176.117 0.052 0.000 1.186 82 I CA 0.810 62.148 61.300 0.064 0.000 1.417 82 I CB -0.290 37.739 38.000 0.049 0.000 1.377 82 I HN 0.094 nan 8.210 nan 0.000 0.556 83 R N 7.744 128.281 120.500 0.061 0.000 2.445 83 R HA 0.677 5.017 4.340 -0.000 0.000 0.308 83 R C -0.571 175.827 176.300 0.163 0.000 0.961 83 R CA -0.768 55.390 56.100 0.096 0.000 0.862 83 R CB 1.770 32.136 30.300 0.109 0.000 1.144 83 R HN 0.593 nan 8.270 nan 0.000 0.447 84 I N -0.917 119.731 120.570 0.129 0.000 2.797 84 I HA 0.574 4.744 4.170 -0.000 0.000 0.307 84 I C -2.442 173.635 176.117 -0.067 0.000 1.033 84 I CA -3.422 57.946 61.300 0.114 0.000 1.071 84 I CB 2.144 40.136 38.000 -0.014 0.000 1.255 84 I HN 0.319 nan 8.210 nan 0.000 0.445 85 P HA 0.053 nan 4.420 nan 0.000 0.264 85 P C -0.339 176.629 177.300 -0.554 0.000 1.229 85 P CA 0.145 62.732 63.100 -0.855 0.000 0.780 85 P CB 0.519 31.915 31.700 -0.506 0.000 0.808 86 V N 1.385 120.926 119.914 -0.621 0.000 2.769 86 V HA 1.027 5.147 4.120 -0.000 0.000 0.312 86 V C 0.260 175.818 176.094 -0.893 0.000 1.058 86 V CA -0.273 61.648 62.300 -0.633 0.000 0.952 86 V CB 1.439 32.943 31.823 -0.532 0.000 1.019 86 V HN 0.872 nan 8.190 nan 0.000 0.445 87 G N 3.019 111.140 108.800 -1.131 0.000 2.361 87 G HA2 0.220 4.180 3.960 -0.000 0.000 0.331 87 G HA3 0.220 4.180 3.960 -0.000 0.000 0.331 87 G C -2.749 172.002 174.900 -0.249 0.000 1.324 87 G CA 0.013 44.468 45.100 -1.076 0.000 0.984 87 G HN 0.587 nan 8.290 nan 0.000 0.586 88 P HA 0.014 nan 4.420 nan 0.000 0.220 88 P C 1.196 178.482 177.300 -0.023 0.000 1.148 88 P CA 1.496 64.635 63.100 0.066 0.000 0.803 88 P CB 0.046 31.766 31.700 0.032 0.000 0.782 89 E N 0.073 120.234 120.200 -0.064 0.000 2.505 89 E HA -0.042 4.308 4.350 -0.000 0.000 0.197 89 E C 1.078 177.646 176.600 -0.053 0.000 1.111 89 E CA 0.927 57.293 56.400 -0.057 0.000 0.887 89 E CB -1.255 28.409 29.700 -0.061 0.000 0.913 89 E HN 0.371 nan 8.360 nan 0.000 0.517 90 T N -1.806 112.725 114.554 -0.039 0.000 3.037 90 T HA 0.145 4.495 4.350 -0.000 0.000 0.252 90 T C 1.101 175.829 174.700 0.046 0.000 1.073 90 T CA -0.340 61.750 62.100 -0.016 0.000 1.091 90 T CB -0.239 68.604 68.868 -0.041 0.000 0.935 90 T HN 0.022 nan 8.240 nan 0.000 0.488 91 L N 2.024 123.275 121.223 0.047 0.000 2.514 91 L HA 0.403 4.743 4.340 -0.000 0.000 0.280 91 L C 1.809 178.714 176.870 0.058 0.000 1.223 91 L CA 1.056 55.918 54.840 0.037 0.000 0.864 91 L CB -0.112 41.910 42.059 -0.062 0.000 1.118 91 L HN 0.548 nan 8.230 nan 0.000 0.494 92 G N 1.833 110.687 108.800 0.090 0.000 2.189 92 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.267 92 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.267 92 G C 0.469 175.451 174.900 0.138 0.000 0.975 92 G CA 0.231 45.396 45.100 0.109 0.000 0.644 92 G HN 0.593 nan 8.290 nan 0.000 0.537 93 R N -0.622 119.942 120.500 0.107 0.000 2.758 93 R HA 0.762 5.102 4.340 -0.000 0.000 0.265 93 R C 0.014 176.359 176.300 0.075 0.000 1.016 93 R CA -0.885 55.267 56.100 0.086 0.000 1.040 93 R CB 1.178 31.506 30.300 0.046 0.000 1.152 93 R HN 0.226 nan 8.270 nan 0.000 0.503 94 I N 1.809 122.391 120.570 0.019 0.000 2.362 94 I HA 0.358 4.528 4.170 -0.000 0.000 0.289 94 I C -0.299 175.826 176.117 0.014 0.000 0.994 94 I CA -0.358 60.945 61.300 0.005 0.000 1.158 94 I CB 1.598 39.515 38.000 -0.139 0.000 1.315 94 I HN 0.358 nan 8.210 nan 0.000 0.451 95 M N 4.335 123.964 119.600 0.049 0.000 2.664 95 M HA 0.415 4.895 4.480 -0.000 0.000 0.314 95 M C -0.256 176.075 176.300 0.051 0.000 1.200 95 M CA -0.626 54.694 55.300 0.032 0.000 0.916 95 M CB 2.100 34.708 32.600 0.012 0.000 1.717 95 M HN 0.482 nan 8.290 nan 0.000 0.470 96 N N -0.423 118.297 118.700 0.034 0.000 2.405 96 N HA 0.281 5.021 4.740 -0.000 0.000 0.269 96 N C 0.661 176.183 175.510 0.021 0.000 1.249 96 N CA -0.313 52.757 53.050 0.033 0.000 0.974 96 N CB 1.141 39.643 38.487 0.025 0.000 1.204 96 N HN 0.453 nan 8.380 nan 0.000 0.565 97 V N 0.471 120.397 119.914 0.020 0.000 2.427 97 V HA -0.146 3.974 4.120 -0.000 0.000 0.248 97 V C 1.636 177.731 176.094 0.003 0.000 1.051 97 V CA 1.551 63.854 62.300 0.005 0.000 1.048 97 V CB -0.915 30.915 31.823 0.011 0.000 0.666 97 V HN 0.738 nan 8.190 nan 0.000 0.456 98 I N -1.099 119.480 120.570 0.016 0.000 3.855 98 I HA 0.626 4.796 4.170 -0.000 0.000 0.327 98 I C 1.258 177.397 176.117 0.037 0.000 1.359 98 I CA 0.501 61.815 61.300 0.024 0.000 1.142 98 I CB -0.418 37.598 38.000 0.028 0.000 1.041 98 I HN 0.304 nan 8.210 nan 0.000 0.403 99 G N 1.254 110.071 108.800 0.028 0.000 2.147 99 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.244 99 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.244 99 G C -0.218 174.712 174.900 0.050 0.000 1.005 99 G CA 0.061 45.185 45.100 0.039 0.000 0.713 99 G HN 0.687 nan 8.290 nan 0.000 0.515 100 E N 0.848 121.070 120.200 0.036 0.000 2.204 100 E HA 0.435 4.785 4.350 -0.000 0.000 0.276 100 E C -2.478 174.135 176.600 0.020 0.000 0.974 100 E CA -2.176 54.244 56.400 0.033 0.000 0.815 100 E CB 1.709 31.425 29.700 0.026 0.000 1.119 100 E HN 0.136 nan 8.360 nan 0.000 0.393 101 P HA 0.065 nan 4.420 nan 0.000 0.275 101 P C 0.100 177.396 177.300 -0.007 0.000 1.227 101 P CA 0.195 63.298 63.100 0.005 0.000 0.781 101 P CB 0.336 32.041 31.700 0.008 0.000 0.906 102 I N -1.038 119.515 120.570 -0.029 0.000 3.966 102 I HA 0.273 4.443 4.170 -0.000 0.000 0.324 102 I C 0.056 176.115 176.117 -0.096 0.000 1.517 102 I CA -0.224 61.047 61.300 -0.049 0.000 1.117 102 I CB 0.216 38.191 38.000 -0.041 0.000 1.190 102 I HN 0.013 nan 8.210 nan 0.000 0.466 103 D N 0.430 120.777 120.400 -0.089 0.000 2.369 103 D HA 0.034 4.674 4.640 -0.000 0.000 0.211 103 D C 0.527 176.811 176.300 -0.027 0.000 1.077 103 D CA -0.036 53.896 54.000 -0.114 0.000 0.842 103 D CB -0.100 40.625 40.800 -0.125 0.000 0.947 103 D HN 0.480 nan 8.370 nan 0.000 0.509 104 E N -0.431 119.761 120.200 -0.013 0.000 2.868 104 E HA -0.239 4.111 4.350 -0.000 0.000 0.278 104 E C 0.196 176.811 176.600 0.025 0.000 1.009 104 E CA 0.274 56.680 56.400 0.009 0.000 0.856 104 E CB -1.038 28.669 29.700 0.011 0.000 1.428 104 E HN 0.412 nan 8.360 nan 0.000 0.423 105 R N -0.030 120.487 120.500 0.028 0.000 2.546 105 R HA 0.300 4.640 4.340 -0.000 0.000 0.320 105 R C 0.735 177.053 176.300 0.029 0.000 1.021 105 R CA 0.364 56.486 56.100 0.037 0.000 1.088 105 R CB 1.273 31.605 30.300 0.054 0.000 1.278 105 R HN 0.266 nan 8.270 nan 0.000 0.557 106 G N 2.320 111.134 108.800 0.023 0.000 2.756 106 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.678 106 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.678 106 G C -2.538 172.376 174.900 0.023 0.000 1.349 106 G CA -1.289 43.824 45.100 0.022 0.000 0.847 106 G HN -0.012 nan 8.290 nan 0.000 0.548 107 P HA 0.280 nan 4.420 nan 0.000 0.271 107 P C 0.093 177.410 177.300 0.028 0.000 1.228 107 P CA 0.149 63.269 63.100 0.034 0.000 0.797 107 P CB 0.301 32.025 31.700 0.040 0.000 0.914 108 I N 1.047 121.636 120.570 0.032 0.000 2.359 108 I HA 0.182 4.352 4.170 -0.000 0.000 0.284 108 I C 0.759 176.875 176.117 -0.001 0.000 1.018 108 I CA -0.376 60.922 61.300 -0.002 0.000 1.173 108 I CB 0.760 38.741 38.000 -0.032 0.000 1.326 108 I HN 0.011 nan 8.210 nan 0.000 0.462 109 K N 5.706 126.103 120.400 -0.006 0.000 2.187 109 K HA 0.202 4.522 4.320 -0.000 0.000 0.242 109 K C 0.172 176.748 176.600 -0.041 0.000 1.179 109 K CA -0.273 56.018 56.287 0.006 0.000 1.097 109 K CB -0.141 32.370 32.500 0.018 0.000 1.634 109 K HN 0.598 nan 8.250 nan 0.000 0.335 110 T N -1.699 112.786 114.554 -0.116 0.000 2.913 110 T HA 0.180 4.530 4.350 -0.000 0.000 0.287 110 T C 1.105 175.733 174.700 -0.119 0.000 1.008 110 T CA -0.852 61.118 62.100 -0.217 0.000 1.067 110 T CB 1.525 70.095 68.868 -0.496 0.000 0.996 110 T HN 0.320 nan 8.240 nan 0.000 0.513 111 K N 0.959 121.296 120.400 -0.105 0.000 2.103 111 K HA 0.013 4.333 4.320 -0.000 0.000 0.204 111 K C 0.339 176.943 176.600 0.006 0.000 1.052 111 K CA 0.754 57.030 56.287 -0.018 0.000 0.945 111 K CB -0.146 32.355 32.500 0.003 0.000 0.722 111 K HN 0.600 nan 8.250 nan 0.000 0.443 112 Q N -0.304 119.430 119.800 -0.110 0.000 2.496 112 Q HA 0.544 4.884 4.340 -0.000 0.000 0.286 112 Q C -1.054 174.749 176.000 -0.328 0.000 1.103 112 Q CA -0.698 55.069 55.803 -0.059 0.000 0.813 112 Q CB 1.078 29.797 28.738 -0.032 0.000 1.444 112 Q HN -0.040 nan 8.270 nan 0.000 0.443 113 F N -0.248 119.661 119.950 -0.068 0.000 2.577 113 F HA 0.868 5.395 4.527 -0.000 0.000 0.318 113 F C -0.564 175.201 175.800 -0.059 0.000 1.065 113 F CA -0.826 57.130 58.000 -0.073 0.000 0.929 113 F CB 2.289 41.259 39.000 -0.049 0.000 1.237 113 F HN 0.654 nan 8.300 nan 0.000 0.468 114 A N 1.229 124.085 122.820 0.061 0.000 2.435 114 A HA 0.865 5.185 4.320 -0.000 0.000 0.304 114 A C -1.250 176.356 177.584 0.037 0.000 1.064 114 A CA -0.739 51.315 52.037 0.029 0.000 0.727 114 A CB 1.124 20.103 19.000 -0.035 0.000 1.284 114 A HN 0.986 nan 8.150 nan 0.000 0.415 115 A N 1.310 124.152 122.820 0.036 0.000 2.363 115 A HA 0.496 4.816 4.320 -0.000 0.000 0.270 115 A C 1.090 178.669 177.584 -0.009 0.000 1.121 115 A CA 0.030 52.089 52.037 0.036 0.000 0.800 115 A CB -0.380 18.657 19.000 0.062 0.000 1.052 115 A HN 1.610 nan 8.150 nan 0.000 0.493 116 I N -0.416 120.119 120.570 -0.059 0.000 2.614 116 I HA -0.027 4.143 4.170 -0.000 0.000 0.258 116 I C 0.271 176.240 176.117 -0.245 0.000 1.189 116 I CA 0.632 61.829 61.300 -0.172 0.000 1.462 116 I CB -0.374 37.490 38.000 -0.225 0.000 1.092 116 I HN 0.501 nan 8.210 nan 0.000 0.442 117 H N 2.433 121.494 119.070 -0.015 0.000 2.489 117 H HA 0.791 5.347 4.556 -0.000 0.000 0.322 117 H C -0.353 174.963 175.328 -0.019 0.000 1.091 117 H CA -0.001 56.037 56.048 -0.017 0.000 1.291 117 H CB 1.593 31.350 29.762 -0.008 0.000 1.436 117 H HN 0.439 nan 8.280 nan 0.000 0.480 118 A N 3.071 125.947 122.820 0.093 0.000 2.608 118 A HA 0.294 4.614 4.320 -0.000 0.000 0.292 118 A C -0.735 176.866 177.584 0.028 0.000 1.066 118 A CA -0.946 51.118 52.037 0.045 0.000 0.676 118 A CB 1.429 20.437 19.000 0.013 0.000 1.277 118 A HN 0.529 nan 8.150 nan 0.000 0.413 119 E N 0.645 120.856 120.200 0.018 0.000 2.383 119 E HA 0.466 4.816 4.350 -0.000 0.000 0.264 119 E C 0.526 177.128 176.600 0.004 0.000 1.050 119 E CA 0.343 56.751 56.400 0.013 0.000 0.896 119 E CB 1.249 30.956 29.700 0.012 0.000 0.982 119 E HN 0.875 nan 8.360 nan 0.000 0.424 120 A N 3.872 126.695 122.820 0.005 0.000 2.351 120 A HA 0.418 4.737 4.320 -0.000 0.000 0.257 120 A C -2.066 175.525 177.584 0.011 0.000 1.087 120 A CA -1.270 50.767 52.037 0.001 0.000 0.798 120 A CB -0.348 18.653 19.000 0.002 0.000 1.033 120 A HN 0.329 nan 8.150 nan 0.000 0.488 121 P HA 0.046 nan 4.420 nan 0.000 0.263 121 P C -0.042 177.280 177.300 0.036 0.000 1.175 121 P CA 0.264 63.371 63.100 0.011 0.000 0.761 121 P CB 0.369 32.068 31.700 -0.001 0.000 0.794 122 E N 1.385 121.609 120.200 0.040 0.000 2.410 122 E HA -0.024 4.326 4.350 -0.000 0.000 0.255 122 E C 0.859 177.528 176.600 0.116 0.000 1.194 122 E CA -0.179 56.268 56.400 0.078 0.000 0.955 122 E CB 0.026 29.764 29.700 0.062 0.000 0.988 122 E HN 0.389 nan 8.360 nan 0.000 0.461 123 F N 1.804 121.755 119.950 0.001 0.000 2.134 123 F HA -0.195 4.332 4.527 -0.000 0.000 0.299 123 F C 1.771 177.571 175.800 0.000 0.000 1.097 123 F CA 1.545 59.546 58.000 0.002 0.000 1.264 123 F CB -0.211 38.791 39.000 0.003 0.000 1.001 123 F HN 0.240 nan 8.300 nan 0.000 0.479 124 V N -1.970 117.897 119.914 -0.077 0.000 3.590 124 V HA -0.006 4.114 4.120 -0.000 0.000 0.272 124 V C 1.050 177.062 176.094 -0.137 0.000 1.233 124 V CA 1.254 63.449 62.300 -0.175 0.000 1.182 124 V CB -1.153 30.640 31.823 -0.049 0.000 0.901 124 V HN 0.435 nan 8.190 nan 0.000 0.485 125 E N -0.178 119.957 120.200 -0.110 0.000 2.498 125 E HA 0.269 4.619 4.350 -0.000 0.000 0.203 125 E C 0.490 177.034 176.600 -0.094 0.000 1.013 125 E CA -0.353 56.001 56.400 -0.076 0.000 0.927 125 E CB 0.232 29.911 29.700 -0.035 0.000 1.012 125 E HN 0.484 nan 8.360 nan 0.000 0.482 126 M N 0.737 120.246 119.600 -0.151 0.000 2.240 126 M HA 0.169 4.649 4.480 -0.000 0.000 0.333 126 M C 0.386 176.613 176.300 -0.123 0.000 1.110 126 M CA 0.214 55.434 55.300 -0.133 0.000 1.173 126 M CB 0.995 33.495 32.600 -0.167 0.000 1.458 126 M HN -0.171 nan 8.290 nan 0.000 0.458 127 S N 0.723 116.376 115.700 -0.078 0.000 2.566 127 S HA 0.727 5.197 4.470 -0.000 0.000 0.298 127 S C -0.004 174.569 174.600 -0.045 0.000 1.083 127 S CA -0.754 57.410 58.200 -0.059 0.000 0.978 127 S CB 1.265 64.441 63.200 -0.041 0.000 1.073 127 S HN 0.601 nan 8.310 nan 0.000 0.491 128 V N 0.347 120.240 119.914 -0.036 0.000 3.017 128 V HA 0.561 4.681 4.120 -0.000 0.000 0.354 128 V C -0.269 175.819 176.094 -0.011 0.000 1.389 128 V CA -0.567 61.720 62.300 -0.022 0.000 1.163 128 V CB 0.149 31.958 31.823 -0.023 0.000 1.178 128 V HN 0.584 nan 8.190 nan 0.000 0.547 129 E N 2.214 122.408 120.200 -0.010 0.000 2.354 129 E HA 0.473 4.823 4.350 -0.000 0.000 0.269 129 E C -0.364 176.240 176.600 0.006 0.000 1.036 129 E CA 0.230 56.629 56.400 -0.001 0.000 0.876 129 E CB 1.085 30.784 29.700 -0.001 0.000 1.009 129 E HN 0.680 nan 8.360 nan 0.000 0.416 130 Q N 2.096 121.904 119.800 0.013 0.000 2.414 130 Q HA 0.340 4.680 4.340 -0.000 0.000 0.256 130 Q C -0.742 175.274 176.000 0.028 0.000 0.974 130 Q CA -0.214 55.601 55.803 0.021 0.000 0.723 130 Q CB 1.868 30.619 28.738 0.022 0.000 1.281 130 Q HN 0.375 nan 8.270 nan 0.000 0.470 131 E N 2.627 122.848 120.200 0.034 0.000 2.218 131 E HA 0.341 4.691 4.350 -0.000 0.000 0.263 131 E C -0.592 176.041 176.600 0.056 0.000 0.879 131 E CA -0.719 55.706 56.400 0.041 0.000 0.762 131 E CB 2.254 31.976 29.700 0.036 0.000 1.166 131 E HN 0.557 nan 8.360 nan 0.000 0.415 132 I N 4.132 124.740 120.570 0.064 0.000 2.919 132 I HA -0.163 4.007 4.170 -0.000 0.000 0.303 132 I C -0.524 175.643 176.117 0.083 0.000 1.221 132 I CA 0.640 61.989 61.300 0.081 0.000 1.444 132 I CB 0.379 38.434 38.000 0.092 0.000 1.331 132 I HN 0.474 nan 8.210 nan 0.000 0.572 133 L N 9.012 130.295 121.223 0.100 0.000 2.387 133 L HA 0.348 4.688 4.340 -0.000 0.000 0.259 133 L C -0.570 176.347 176.870 0.079 0.000 1.050 133 L CA -0.429 54.471 54.840 0.099 0.000 0.922 133 L CB 0.932 43.072 42.059 0.134 0.000 1.280 133 L HN 0.336 nan 8.230 nan 0.000 0.449 134 V N 3.184 123.132 119.914 0.057 0.000 2.617 134 V HA 0.032 4.152 4.120 -0.000 0.000 0.304 134 V C 1.589 177.689 176.094 0.010 0.000 1.040 134 V CA 1.091 63.408 62.300 0.028 0.000 1.149 134 V CB 0.825 32.668 31.823 0.033 0.000 0.914 134 V HN 0.906 nan 8.190 nan 0.000 0.487 135 T N -0.052 114.479 114.554 -0.038 0.000 2.990 135 T HA 0.333 4.683 4.350 -0.000 0.000 0.249 135 T C 1.380 176.051 174.700 -0.047 0.000 1.039 135 T CA 0.875 62.944 62.100 -0.050 0.000 1.036 135 T CB 0.652 69.436 68.868 -0.141 0.000 0.994 135 T HN 1.562 nan 8.240 nan 0.000 0.489 136 G N 1.835 110.615 108.800 -0.034 0.000 2.194 136 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.236 136 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.236 136 G C 0.032 174.928 174.900 -0.008 0.000 0.987 136 G CA -0.030 45.057 45.100 -0.022 0.000 0.635 136 G HN 0.622 nan 8.290 nan 0.000 0.520 137 I N 1.554 122.116 120.570 -0.013 0.000 2.312 137 I HA 0.227 4.396 4.170 -0.000 0.000 0.291 137 I C 1.598 177.740 176.117 0.042 0.000 1.031 137 I CA -0.340 60.995 61.300 0.059 0.000 1.293 137 I CB 1.007 39.053 38.000 0.077 0.000 1.403 137 I HN 0.067 nan 8.210 nan 0.000 0.484 138 K N 3.946 124.376 120.400 0.050 0.000 2.000 138 K HA -0.179 4.141 4.320 -0.000 0.000 0.218 138 K C 1.866 178.504 176.600 0.063 0.000 1.053 138 K CA 1.826 58.144 56.287 0.051 0.000 0.946 138 K CB -0.202 32.299 32.500 0.002 0.000 0.723 138 K HN 0.587 nan 8.250 nan 0.000 0.446 139 V N 0.911 120.855 119.914 0.051 0.000 2.219 139 V HA -0.287 3.833 4.120 -0.000 0.000 0.248 139 V C 2.379 178.476 176.094 0.006 0.000 1.053 139 V CA 2.054 64.365 62.300 0.017 0.000 1.009 139 V CB -1.046 30.795 31.823 0.030 0.000 0.636 139 V HN 0.095 nan 8.190 nan 0.000 0.445 140 V N 0.717 120.629 119.914 -0.004 0.000 2.219 140 V HA -0.324 3.796 4.120 -0.000 0.000 0.248 140 V C 2.485 178.542 176.094 -0.062 0.000 1.053 140 V CA 2.567 64.821 62.300 -0.076 0.000 1.009 140 V CB -0.947 30.716 31.823 -0.266 0.000 0.636 140 V HN 0.557 nan 8.190 nan 0.000 0.445 141 D N -0.280 120.087 120.400 -0.054 0.000 2.106 141 D HA -0.189 4.451 4.640 -0.000 0.000 0.191 141 D C 2.002 178.396 176.300 0.157 0.000 0.997 141 D CA 1.599 55.615 54.000 0.026 0.000 0.834 141 D CB -0.468 40.341 40.800 0.014 0.000 0.956 141 D HN 0.325 nan 8.370 nan 0.000 0.448 142 L N 0.394 121.679 121.223 0.103 0.000 1.970 142 L HA -0.152 4.188 4.340 -0.000 0.000 0.212 142 L C 2.192 179.178 176.870 0.192 0.000 1.071 142 L CA 1.711 56.635 54.840 0.140 0.000 0.751 142 L CB -0.455 41.602 42.059 -0.003 0.000 0.889 142 L HN 0.035 nan 8.230 nan 0.000 0.432 143 L N -1.529 119.722 121.223 0.046 0.000 2.408 143 L HA 0.285 4.625 4.340 -0.000 0.000 0.215 143 L C 0.866 177.739 176.870 0.006 0.000 1.081 143 L CA 0.480 55.316 54.840 -0.006 0.000 0.840 143 L CB -0.181 41.848 42.059 -0.051 0.000 1.002 143 L HN 0.298 nan 8.230 nan 0.000 0.468 144 A N 0.209 123.052 122.820 0.038 0.000 3.453 144 A HA 0.451 4.771 4.320 -0.000 0.000 0.262 144 A C -2.598 175.049 177.584 0.105 0.000 1.026 144 A CA -0.957 51.126 52.037 0.077 0.000 0.938 144 A CB -0.259 18.813 19.000 0.120 0.000 1.246 144 A HN -0.154 nan 8.150 nan 0.000 0.546 145 P HA 0.023 nan 4.420 nan 0.000 0.263 145 P C -0.593 176.830 177.300 0.205 0.000 1.175 145 P CA 0.775 63.918 63.100 0.072 0.000 0.761 145 P CB 0.216 31.953 31.700 0.062 0.000 0.794 146 Y N 1.160 121.497 120.300 0.061 0.000 2.326 146 Y HA 0.527 5.077 4.550 -0.000 0.000 0.324 146 Y C 0.953 176.876 175.900 0.038 0.000 1.291 146 Y CA -1.717 56.412 58.100 0.048 0.000 1.348 146 Y CB 0.302 38.790 38.460 0.047 0.000 1.294 146 Y HN 0.367 nan 8.280 nan 0.000 0.525 147 A N 2.123 125.062 122.820 0.199 0.000 2.355 147 A HA 0.469 4.789 4.320 -0.000 0.000 0.317 147 A C -0.413 177.213 177.584 0.070 0.000 1.094 147 A CA -1.123 50.980 52.037 0.109 0.000 0.764 147 A CB 0.779 19.821 19.000 0.071 0.000 1.230 147 A HN 0.724 nan 8.150 nan 0.000 0.448 148 K N 1.014 121.451 120.400 0.061 0.000 2.484 148 K HA 0.299 4.619 4.320 -0.000 0.000 0.280 148 K C 1.345 177.952 176.600 0.011 0.000 1.013 148 K CA 1.694 58.003 56.287 0.036 0.000 1.029 148 K CB 0.048 32.573 32.500 0.043 0.000 0.902 148 K HN 1.722 nan 8.250 nan 0.000 0.481 149 G N 2.408 111.198 108.800 -0.017 0.000 2.189 149 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.267 149 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.267 149 G C 0.447 175.324 174.900 -0.038 0.000 0.975 149 G CA 0.237 45.319 45.100 -0.030 0.000 0.644 149 G HN 0.917 nan 8.290 nan 0.000 0.537 150 G N -0.582 108.199 108.800 -0.033 0.000 2.588 150 G HA2 0.549 4.509 3.960 -0.000 0.000 0.281 150 G HA3 0.549 4.509 3.960 -0.000 0.000 0.281 150 G C -0.073 174.783 174.900 -0.074 0.000 1.236 150 G CA -0.532 44.548 45.100 -0.034 0.000 0.969 150 G HN 0.405 nan 8.290 nan 0.000 0.504 151 K N 0.112 120.474 120.400 -0.064 0.000 2.240 151 K HA 0.429 4.749 4.320 -0.000 0.000 0.271 151 K C -0.855 175.671 176.600 -0.122 0.000 1.018 151 K CA -0.170 56.063 56.287 -0.090 0.000 0.874 151 K CB 1.825 34.301 32.500 -0.041 0.000 1.098 151 K HN 0.241 nan 8.250 nan 0.000 0.458 152 I N 1.100 121.543 120.570 -0.213 0.000 2.493 152 I HA 0.397 4.567 4.170 -0.000 0.000 0.298 152 I C 0.243 176.211 176.117 -0.248 0.000 0.998 152 I CA -0.614 60.492 61.300 -0.322 0.000 1.137 152 I CB 2.224 39.834 38.000 -0.650 0.000 1.310 152 I HN 0.647 nan 8.210 nan 0.000 0.445 153 G N 6.177 114.870 108.800 -0.178 0.000 2.643 153 G HA2 0.672 4.632 3.960 -0.000 0.000 0.305 153 G HA3 0.672 4.632 3.960 -0.000 0.000 0.305 153 G C -1.163 173.664 174.900 -0.121 0.000 1.387 153 G CA -0.512 44.463 45.100 -0.208 0.000 0.982 153 G HN 0.426 nan 8.290 nan 0.000 0.501 154 L N 2.259 123.376 121.223 -0.177 0.000 2.283 154 L HA 0.453 4.793 4.340 -0.000 0.000 0.281 154 L C -0.810 176.000 176.870 -0.100 0.000 1.033 154 L CA -0.584 54.246 54.840 -0.017 0.000 0.848 154 L CB 0.716 42.806 42.059 0.053 0.000 1.226 154 L HN 0.323 nan 8.230 nan 0.000 0.429 155 F N 1.453 121.395 119.950 -0.015 0.000 2.404 155 F HA 0.753 5.280 4.527 -0.000 0.000 0.339 155 F C 0.934 176.736 175.800 0.003 0.000 1.105 155 F CA -0.272 57.702 58.000 -0.043 0.000 1.087 155 F CB 2.033 40.984 39.000 -0.081 0.000 1.143 155 F HN 0.447 nan 8.300 nan 0.000 0.491 156 G N 1.158 110.049 108.800 0.151 0.000 2.633 156 G HA2 0.469 4.429 3.960 -0.000 0.000 0.299 156 G HA3 0.469 4.429 3.960 -0.000 0.000 0.299 156 G C -0.720 174.178 174.900 -0.002 0.000 1.501 156 G CA -0.416 44.737 45.100 0.089 0.000 0.887 156 G HN 0.929 nan 8.290 nan 0.000 0.561 157 G N -0.303 108.469 108.800 -0.046 0.000 2.611 157 G HA2 0.658 4.618 3.960 -0.000 0.000 0.273 157 G HA3 0.658 4.618 3.960 -0.000 0.000 0.273 157 G C 0.807 175.742 174.900 0.058 0.000 1.305 157 G CA 0.377 45.392 45.100 -0.142 0.000 1.010 157 G HN 1.740 nan 8.290 nan 0.000 0.509 158 A N -1.240 121.684 122.820 0.173 0.000 2.524 158 A HA 0.515 4.835 4.320 -0.000 0.000 0.250 158 A C 1.461 179.123 177.584 0.130 0.000 1.078 158 A CA 1.010 53.193 52.037 0.244 0.000 0.761 158 A CB -0.679 18.474 19.000 0.256 0.000 1.012 158 A HN 2.564 nan 8.150 nan 0.000 0.500 159 G N 1.039 109.909 108.800 0.116 0.000 2.272 159 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.280 159 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.280 159 G C 0.517 175.468 174.900 0.085 0.000 1.067 159 G CA 0.807 45.951 45.100 0.073 0.000 0.902 159 G HN 2.184 nan 8.290 nan 0.000 0.500 160 V N -4.081 115.896 119.914 0.105 0.000 3.643 160 V HA 0.708 4.828 4.120 -0.000 0.000 0.280 160 V C 1.661 177.860 176.094 0.176 0.000 1.351 160 V CA 1.135 63.515 62.300 0.133 0.000 1.073 160 V CB 0.421 32.300 31.823 0.093 0.000 0.863 160 V HN 2.090 nan 8.190 nan 0.000 0.436 161 G N 0.514 109.394 108.800 0.134 0.000 2.273 161 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.162 161 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.162 161 G C 0.669 175.663 174.900 0.157 0.000 1.006 161 G CA 0.173 45.359 45.100 0.143 0.000 0.704 161 G HN 0.391 nan 8.290 nan 0.000 0.487 162 K N 0.193 120.677 120.400 0.140 0.000 2.020 162 K HA -0.108 4.212 4.320 -0.000 0.000 0.212 162 K C 2.503 179.190 176.600 0.146 0.000 1.050 162 K CA 2.077 58.448 56.287 0.139 0.000 0.929 162 K CB -0.388 32.183 32.500 0.118 0.000 0.714 162 K HN 0.304 nan 8.250 nan 0.000 0.443 163 T N 1.188 115.825 114.554 0.138 0.000 2.737 163 T HA -0.099 4.251 4.350 -0.000 0.000 0.265 163 T C 2.110 176.902 174.700 0.154 0.000 1.038 163 T CA 1.164 63.353 62.100 0.148 0.000 1.144 163 T CB -0.255 68.698 68.868 0.142 0.000 0.866 163 T HN -0.051 nan 8.240 nan 0.000 0.434 164 V N 1.623 121.632 119.914 0.159 0.000 2.252 164 V HA -0.161 3.959 4.120 -0.000 0.000 0.249 164 V C 2.446 178.684 176.094 0.239 0.000 1.056 164 V CA 1.605 64.030 62.300 0.208 0.000 1.022 164 V CB -0.700 31.259 31.823 0.227 0.000 0.641 164 V HN 0.338 nan 8.190 nan 0.000 0.445 165 L N -0.511 120.885 121.223 0.288 0.000 2.079 165 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 165 L C 2.090 179.057 176.870 0.160 0.000 1.081 165 L CA 1.885 56.905 54.840 0.300 0.000 0.752 165 L CB -0.427 41.828 42.059 0.328 0.000 0.896 165 L HN 0.263 nan 8.230 nan 0.000 0.433 166 I N -1.608 119.051 120.570 0.149 0.000 2.676 166 I HA -0.231 3.939 4.170 -0.000 0.000 0.259 166 I C 1.912 178.032 176.117 0.006 0.000 1.194 166 I CA 0.418 61.786 61.300 0.112 0.000 1.473 166 I CB 0.081 38.175 38.000 0.156 0.000 1.096 166 I HN 0.306 nan 8.210 nan 0.000 0.443 167 M N -0.254 119.363 119.600 0.028 0.000 2.156 167 M HA -0.180 4.300 4.480 -0.000 0.000 0.264 167 M C 2.129 178.372 176.300 -0.094 0.000 1.067 167 M CA 1.579 56.860 55.300 -0.032 0.000 1.131 167 M CB -1.193 31.425 32.600 0.031 0.000 1.368 167 M HN 0.120 nan 8.290 nan 0.000 0.416 168 E N 0.123 120.244 120.200 -0.130 0.000 2.274 168 E HA -0.048 4.302 4.350 -0.000 0.000 0.194 168 E C 1.932 178.406 176.600 -0.210 0.000 0.996 168 E CA 0.636 56.871 56.400 -0.275 0.000 0.840 168 E CB -0.073 29.183 29.700 -0.740 0.000 0.772 168 E HN 0.445 nan 8.360 nan 0.000 0.491 169 L N -0.107 121.048 121.223 -0.112 0.000 2.179 169 L HA 0.014 4.354 4.340 -0.000 0.000 0.208 169 L C 2.129 178.993 176.870 -0.011 0.000 1.096 169 L CA 0.487 55.326 54.840 -0.002 0.000 0.779 169 L CB -0.109 42.051 42.059 0.168 0.000 0.922 169 L HN 0.217 nan 8.230 nan 0.000 0.443 170 I N -0.053 120.421 120.570 -0.160 0.000 2.252 170 I HA -0.296 3.874 4.170 -0.000 0.000 0.245 170 I C 2.256 178.324 176.117 -0.082 0.000 1.102 170 I CA 1.322 62.485 61.300 -0.228 0.000 1.385 170 I CB -0.188 37.580 38.000 -0.387 0.000 1.064 170 I HN 0.345 nan 8.210 nan 0.000 0.414 171 N N 1.229 119.874 118.700 -0.091 0.000 2.062 171 N HA -0.181 4.559 4.740 -0.000 0.000 0.191 171 N C 1.462 176.949 175.510 -0.038 0.000 1.042 171 N CA 1.646 54.657 53.050 -0.065 0.000 0.845 171 N CB -0.083 38.352 38.487 -0.087 0.000 1.024 171 N HN 0.128 nan 8.380 nan 0.000 0.424 172 N N -0.955 117.714 118.700 -0.052 0.000 2.573 172 N HA -0.025 4.715 4.740 -0.000 0.000 0.187 172 N C 0.589 176.111 175.510 0.020 0.000 1.107 172 N CA 0.526 53.557 53.050 -0.031 0.000 0.918 172 N CB 0.444 38.890 38.487 -0.068 0.000 0.966 172 N HN 0.203 nan 8.380 nan 0.000 0.448 173 V N -1.513 118.435 119.914 0.057 0.000 3.219 173 V HA 0.252 4.372 4.120 -0.000 0.000 0.214 173 V C 1.828 178.016 176.094 0.156 0.000 1.433 173 V CA 0.604 62.970 62.300 0.111 0.000 1.301 173 V CB -0.500 31.415 31.823 0.154 0.000 1.160 173 V HN 0.107 nan 8.190 nan 0.000 0.505 174 A N 0.647 123.573 122.820 0.177 0.000 1.877 174 A HA -0.204 4.116 4.320 -0.000 0.000 0.216 174 A C 2.090 179.775 177.584 0.168 0.000 1.186 174 A CA 2.215 54.383 52.037 0.219 0.000 0.620 174 A CB -0.458 18.672 19.000 0.217 0.000 0.822 174 A HN 0.508 nan 8.150 nan 0.000 0.443 175 K N -0.434 120.022 120.400 0.093 0.000 2.074 175 K HA -0.185 4.135 4.320 -0.000 0.000 0.209 175 K C 2.202 178.838 176.600 0.061 0.000 1.048 175 K CA 1.479 57.801 56.287 0.060 0.000 0.926 175 K CB -0.313 32.199 32.500 0.020 0.000 0.713 175 K HN 0.481 nan 8.250 nan 0.000 0.444 176 A N 0.785 123.647 122.820 0.071 0.000 1.935 176 A HA -0.086 4.234 4.320 -0.000 0.000 0.214 176 A C 0.602 178.216 177.584 0.050 0.000 1.178 176 A CA 0.240 52.306 52.037 0.047 0.000 0.640 176 A CB -0.565 18.458 19.000 0.039 0.000 0.825 176 A HN 0.416 nan 8.150 nan 0.000 0.447 177 H N 0.807 119.885 119.070 0.013 0.000 3.219 177 H HA 0.137 4.693 4.556 -0.000 0.000 0.283 177 H C 0.747 176.052 175.328 -0.038 0.000 0.894 177 H CA 0.384 56.432 56.048 0.001 0.000 1.406 177 H CB 0.124 29.906 29.762 0.033 0.000 1.349 177 H HN 0.182 nan 8.280 nan 0.000 0.550 178 G N 3.883 112.302 108.800 -0.634 0.000 2.696 178 G HA2 0.541 4.501 3.960 -0.000 0.000 0.329 178 G HA3 0.541 4.501 3.960 -0.000 0.000 0.329 178 G C -0.034 174.388 174.900 -0.795 0.000 0.973 178 G CA 0.262 45.045 45.100 -0.529 0.000 1.257 178 G HN 0.942 nan 8.290 nan 0.000 0.456 179 G N 0.852 109.227 108.800 -0.707 0.000 2.324 179 G HA2 0.368 4.328 3.960 -0.000 0.000 0.293 179 G HA3 0.368 4.328 3.960 -0.000 0.000 0.293 179 G C -1.189 173.501 174.900 -0.351 0.000 1.297 179 G CA -0.983 43.766 45.100 -0.585 0.000 0.853 179 G HN 0.283 nan 8.290 nan 0.000 0.535 180 Y N 0.032 120.333 120.300 0.001 0.000 2.344 180 Y HA 0.750 5.300 4.550 -0.000 0.000 0.330 180 Y C 1.079 177.042 175.900 0.105 0.000 1.330 180 Y CA -0.373 57.691 58.100 -0.059 0.000 1.479 180 Y CB 1.403 39.582 38.460 -0.469 0.000 1.428 180 Y HN 0.467 nan 8.280 nan 0.000 0.544 181 S N -0.162 115.716 115.700 0.297 0.000 2.546 181 S HA 0.649 5.119 4.470 -0.000 0.000 0.272 181 S C -1.650 173.127 174.600 0.295 0.000 1.140 181 S CA -0.822 57.542 58.200 0.272 0.000 0.920 181 S CB 1.768 65.168 63.200 0.334 0.000 1.083 181 S HN 0.308 nan 8.310 nan 0.000 0.476 182 V N 3.427 123.504 119.914 0.271 0.000 2.483 182 V HA 0.552 4.672 4.120 -0.000 0.000 0.297 182 V C -1.209 175.049 176.094 0.274 0.000 1.027 182 V CA -0.644 61.804 62.300 0.246 0.000 0.855 182 V CB 1.273 33.200 31.823 0.175 0.000 0.995 182 V HN 0.838 nan 8.190 nan 0.000 0.424 183 F N 4.282 124.306 119.950 0.123 0.000 2.444 183 F HA 0.820 5.347 4.527 -0.000 0.000 0.342 183 F C 0.196 175.934 175.800 -0.103 0.000 1.121 183 F CA -0.662 57.391 58.000 0.089 0.000 0.997 183 F CB 1.407 40.461 39.000 0.091 0.000 1.130 183 F HN 0.565 nan 8.300 nan 0.000 0.454 184 A N 4.527 127.111 122.820 -0.394 0.000 2.291 184 A HA 0.657 4.977 4.320 -0.000 0.000 0.311 184 A C -0.151 177.133 177.584 -0.500 0.000 1.224 184 A CA -0.344 51.466 52.037 -0.378 0.000 0.821 184 A CB 0.321 19.153 19.000 -0.280 0.000 1.172 184 A HN 1.062 nan 8.150 nan 0.000 0.494 185 G N 1.356 109.832 108.800 -0.540 0.000 2.356 185 G HA2 0.506 4.466 3.960 -0.000 0.000 0.312 185 G HA3 0.506 4.466 3.960 -0.000 0.000 0.312 185 G C -0.606 174.233 174.900 -0.101 0.000 1.096 185 G CA -0.202 44.757 45.100 -0.234 0.000 0.950 185 G HN 0.730 nan 8.290 nan 0.000 0.428 186 V N 2.653 122.532 119.914 -0.060 0.000 2.357 186 V HA 0.596 4.716 4.120 -0.000 0.000 0.284 186 V C 1.216 177.329 176.094 0.030 0.000 1.018 186 V CA 0.311 62.602 62.300 -0.015 0.000 0.841 186 V CB 0.831 32.632 31.823 -0.036 0.000 0.991 186 V HN 1.344 nan 8.190 nan 0.000 0.437 187 G N 3.297 112.124 108.800 0.046 0.000 2.258 187 G HA2 -0.203 3.756 3.960 -0.000 0.000 0.274 187 G HA3 -0.203 3.756 3.960 -0.000 0.000 0.274 187 G C 0.251 175.185 174.900 0.057 0.000 1.021 187 G CA 0.565 45.690 45.100 0.041 0.000 0.798 187 G HN 0.616 nan 8.290 nan 0.000 0.507 188 E N -0.597 119.659 120.200 0.093 0.000 3.029 188 E HA 0.416 4.766 4.350 -0.000 0.000 0.249 188 E C 0.925 177.588 176.600 0.105 0.000 1.089 188 E CA -0.865 55.597 56.400 0.103 0.000 1.089 188 E CB 0.461 30.241 29.700 0.135 0.000 1.428 188 E HN 0.378 nan 8.360 nan 0.000 0.555 189 R N 0.429 120.991 120.500 0.105 0.000 2.298 189 R HA 0.168 4.508 4.340 -0.000 0.000 0.310 189 R C 1.170 177.514 176.300 0.073 0.000 1.068 189 R CA 0.004 56.151 56.100 0.079 0.000 0.957 189 R CB 0.396 30.737 30.300 0.068 0.000 1.003 189 R HN 0.412 nan 8.270 nan 0.000 0.454 190 T N 2.456 117.032 114.554 0.037 0.000 2.720 190 T HA -0.213 4.137 4.350 -0.000 0.000 0.268 190 T C 1.817 176.496 174.700 -0.035 0.000 1.037 190 T CA 1.565 63.656 62.100 -0.015 0.000 1.144 190 T CB -0.146 68.707 68.868 -0.025 0.000 0.864 190 T HN 0.582 nan 8.240 nan 0.000 0.444 191 R N 1.098 121.598 120.500 0.001 0.000 2.119 191 R HA -0.195 4.145 4.340 -0.000 0.000 0.246 191 R C 2.109 178.415 176.300 0.010 0.000 1.146 191 R CA 2.067 58.173 56.100 0.010 0.000 0.962 191 R CB -0.223 30.095 30.300 0.030 0.000 0.863 191 R HN 0.518 nan 8.270 nan 0.000 0.442 192 E N -0.931 119.288 120.200 0.031 0.000 2.110 192 E HA -0.133 4.217 4.350 -0.000 0.000 0.193 192 E C 1.936 178.543 176.600 0.011 0.000 0.988 192 E CA 1.101 57.532 56.400 0.052 0.000 0.804 192 E CB -0.197 29.572 29.700 0.115 0.000 0.745 192 E HN 0.659 nan 8.360 nan 0.000 0.458 193 G N 0.955 109.709 108.800 -0.077 0.000 2.422 193 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.218 193 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.218 193 G C 1.401 176.144 174.900 -0.261 0.000 1.140 193 G CA 0.876 45.771 45.100 -0.342 0.000 0.775 193 G HN 0.173 nan 8.290 nan 0.000 0.545 194 N N 0.376 118.975 118.700 -0.169 0.000 2.171 194 N HA -0.068 4.672 4.740 -0.000 0.000 0.184 194 N C 1.675 177.200 175.510 0.025 0.000 1.021 194 N CA 1.334 54.343 53.050 -0.069 0.000 0.854 194 N CB -0.006 38.479 38.487 -0.004 0.000 0.994 194 N HN 0.084 nan 8.380 nan 0.000 0.426 195 D N 0.133 120.545 120.400 0.021 0.000 2.097 195 D HA -0.143 4.496 4.640 -0.000 0.000 0.195 195 D C 1.894 178.200 176.300 0.011 0.000 0.989 195 D CA 0.642 54.666 54.000 0.040 0.000 0.827 195 D CB -0.487 40.331 40.800 0.030 0.000 0.966 195 D HN 0.233 nan 8.370 nan 0.000 0.456 196 L N -0.086 121.115 121.223 -0.036 0.000 2.017 196 L HA -0.195 4.144 4.340 -0.000 0.000 0.208 196 L C 2.263 179.115 176.870 -0.029 0.000 1.073 196 L CA 1.530 56.317 54.840 -0.089 0.000 0.745 196 L CB -0.801 41.129 42.059 -0.214 0.000 0.894 196 L HN 0.012 nan 8.230 nan 0.000 0.432 197 Y N 0.405 120.593 120.300 -0.188 0.000 2.081 197 Y HA -0.339 4.211 4.550 -0.000 0.000 0.280 197 Y C 2.633 178.425 175.900 -0.179 0.000 1.163 197 Y CA 2.356 60.324 58.100 -0.219 0.000 1.135 197 Y CB -0.910 37.319 38.460 -0.385 0.000 0.970 197 Y HN 0.461 nan 8.280 nan 0.000 0.498 198 H N -1.012 118.021 119.070 -0.063 0.000 2.518 198 H HA -0.087 4.469 4.556 -0.000 0.000 0.289 198 H C 1.923 177.167 175.328 -0.140 0.000 1.051 198 H CA 1.109 57.051 56.048 -0.175 0.000 1.280 198 H CB 0.158 29.871 29.762 -0.081 0.000 1.380 198 H HN 0.467 nan 8.280 nan 0.000 0.566 199 E N -0.368 119.828 120.200 -0.007 0.000 2.140 199 E HA -0.076 4.274 4.350 -0.000 0.000 0.191 199 E C 1.693 178.258 176.600 -0.059 0.000 0.973 199 E CA 0.309 56.690 56.400 -0.033 0.000 0.829 199 E CB 0.260 29.936 29.700 -0.041 0.000 0.781 199 E HN 0.294 nan 8.360 nan 0.000 0.466 200 M N 0.190 119.744 119.600 -0.076 0.000 2.159 200 M HA -0.128 4.352 4.480 -0.000 0.000 0.263 200 M C 2.125 178.378 176.300 -0.080 0.000 1.063 200 M CA 1.422 56.683 55.300 -0.065 0.000 1.110 200 M CB -0.668 31.905 32.600 -0.045 0.000 1.374 200 M HN 0.172 nan 8.290 nan 0.000 0.411 201 I N -0.269 120.218 120.570 -0.139 0.000 2.133 201 I HA -0.227 3.943 4.170 -0.000 0.000 0.238 201 I C 2.142 178.213 176.117 -0.077 0.000 1.074 201 I CA 0.907 62.128 61.300 -0.133 0.000 1.342 201 I CB -0.458 37.421 38.000 -0.203 0.000 1.053 201 I HN 0.195 nan 8.210 nan 0.000 0.404 202 E N 0.793 120.955 120.200 -0.064 0.000 2.448 202 E HA -0.167 4.183 4.350 -0.000 0.000 0.203 202 E C 1.612 178.187 176.600 -0.042 0.000 1.046 202 E CA 1.233 57.604 56.400 -0.050 0.000 0.871 202 E CB -0.240 29.432 29.700 -0.045 0.000 0.790 202 E HN 0.536 nan 8.360 nan 0.000 0.545 203 S N -2.420 113.255 115.700 -0.042 0.000 2.749 203 S HA 0.349 4.819 4.470 -0.000 0.000 0.246 203 S C 1.374 175.959 174.600 -0.026 0.000 1.023 203 S CA 0.315 58.495 58.200 -0.032 0.000 1.012 203 S CB 0.665 63.846 63.200 -0.032 0.000 0.942 203 S HN 0.176 nan 8.310 nan 0.000 0.531 204 G N 1.272 110.055 108.800 -0.029 0.000 2.186 204 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.266 204 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.266 204 G C 0.822 175.718 174.900 -0.008 0.000 0.982 204 G CA 0.593 45.681 45.100 -0.020 0.000 0.670 204 G HN 0.958 nan 8.290 nan 0.000 0.533 205 V N -0.533 119.377 119.914 -0.007 0.000 2.626 205 V HA 0.200 4.320 4.120 -0.000 0.000 0.252 205 V C 1.628 177.738 176.094 0.027 0.000 1.067 205 V CA 1.527 63.837 62.300 0.017 0.000 1.081 205 V CB -0.220 31.619 31.823 0.025 0.000 0.686 205 V HN 0.500 nan 8.190 nan 0.000 0.468 206 I N 1.065 121.636 120.570 0.002 0.000 2.441 206 I HA 0.402 4.572 4.170 -0.000 0.000 0.295 206 I C -0.467 175.642 176.117 -0.013 0.000 0.994 206 I CA -0.256 61.048 61.300 0.007 0.000 1.144 206 I CB 1.764 39.756 38.000 -0.013 0.000 1.314 206 I HN 0.112 nan 8.210 nan 0.000 0.445 207 N N 6.447 125.151 118.700 0.007 0.000 2.448 207 N HA 0.366 5.106 4.740 -0.000 0.000 0.279 207 N C 0.082 175.598 175.510 0.009 0.000 1.025 207 N CA -0.409 52.641 53.050 0.001 0.000 0.898 207 N CB 1.852 40.344 38.487 0.009 0.000 1.303 207 N HN 0.534 nan 8.380 nan 0.000 0.495 208 L N 2.108 123.331 121.223 -0.001 0.000 2.509 208 L HA 0.158 4.498 4.340 -0.000 0.000 0.222 208 L C 1.742 178.622 176.870 0.017 0.000 1.123 208 L CA 0.432 55.282 54.840 0.015 0.000 0.856 208 L CB 0.041 42.108 42.059 0.012 0.000 0.985 208 L HN 0.270 nan 8.230 nan 0.000 0.456 209 K N 0.117 120.522 120.400 0.010 0.000 2.276 209 K HA 0.097 4.417 4.320 -0.000 0.000 0.198 209 K C 0.261 176.868 176.600 0.012 0.000 1.052 209 K CA 0.512 56.805 56.287 0.010 0.000 0.984 209 K CB 0.206 32.709 32.500 0.004 0.000 0.836 209 K HN 0.420 nan 8.250 nan 0.000 0.490 210 D N -1.607 118.801 120.400 0.013 0.000 2.758 210 D HA 0.328 4.968 4.640 -0.000 0.000 0.262 210 D C -0.358 175.954 176.300 0.020 0.000 1.113 210 D CA -0.772 53.236 54.000 0.015 0.000 1.114 210 D CB 0.419 41.226 40.800 0.012 0.000 1.363 210 D HN -0.147 nan 8.370 nan 0.000 0.617 211 A N -0.698 122.136 122.820 0.022 0.000 2.532 211 A HA 0.284 4.604 4.320 -0.000 0.000 0.273 211 A C 1.094 178.700 177.584 0.036 0.000 1.342 211 A CA 0.346 52.400 52.037 0.028 0.000 0.929 211 A CB -1.171 17.846 19.000 0.028 0.000 1.051 211 A HN 0.576 nan 8.150 nan 0.000 0.521 212 T N -2.771 111.801 114.554 0.030 0.000 3.219 212 T HA 0.140 4.490 4.350 -0.000 0.000 0.249 212 T C 0.602 175.329 174.700 0.044 0.000 1.099 212 T CA 0.197 62.316 62.100 0.032 0.000 0.988 212 T CB -0.451 68.427 68.868 0.016 0.000 0.999 212 T HN 0.145 nan 8.240 nan 0.000 0.550 213 S N 1.759 117.490 115.700 0.052 0.000 2.516 213 S HA 0.209 4.679 4.470 -0.000 0.000 0.282 213 S C 0.886 175.549 174.600 0.105 0.000 1.286 213 S CA -0.339 57.900 58.200 0.065 0.000 1.066 213 S CB 0.775 64.010 63.200 0.058 0.000 0.884 213 S HN 0.430 nan 8.310 nan 0.000 0.491 214 K N 2.419 122.888 120.400 0.115 0.000 2.387 214 K HA 0.296 4.616 4.320 -0.000 0.000 0.203 214 K C -0.997 175.725 176.600 0.202 0.000 1.030 214 K CA 0.143 56.535 56.287 0.175 0.000 1.099 214 K CB 0.536 33.093 32.500 0.094 0.000 0.863 214 K HN 0.412 nan 8.250 nan 0.000 0.529 215 V N 1.179 121.188 119.914 0.158 0.000 2.655 215 V HA 0.386 4.506 4.120 -0.000 0.000 0.301 215 V C -0.863 175.330 176.094 0.165 0.000 1.082 215 V CA -1.097 61.310 62.300 0.179 0.000 0.899 215 V CB 1.522 33.445 31.823 0.167 0.000 1.014 215 V HN 0.158 nan 8.190 nan 0.000 0.429 216 A N 5.841 128.776 122.820 0.190 0.000 2.303 216 A HA 0.965 5.285 4.320 -0.000 0.000 0.317 216 A C -0.842 176.853 177.584 0.185 0.000 1.149 216 A CA -0.450 51.693 52.037 0.176 0.000 0.822 216 A CB 0.824 19.944 19.000 0.200 0.000 1.131 216 A HN 0.799 nan 8.150 nan 0.000 0.493 217 L N 1.831 123.152 121.223 0.164 0.000 2.365 217 L HA 0.670 5.010 4.340 -0.000 0.000 0.273 217 L C -0.990 175.952 176.870 0.119 0.000 1.000 217 L CA -0.888 54.062 54.840 0.183 0.000 0.819 217 L CB 2.125 44.359 42.059 0.291 0.000 1.284 217 L HN 0.416 nan 8.230 nan 0.000 0.418 218 V N 2.121 122.025 119.914 -0.017 0.000 2.638 218 V HA 0.512 4.632 4.120 -0.000 0.000 0.306 218 V C -1.372 174.579 176.094 -0.237 0.000 1.052 218 V CA -0.701 61.570 62.300 -0.048 0.000 0.885 218 V CB 1.989 33.770 31.823 -0.070 0.000 0.999 218 V HN 0.461 nan 8.190 nan 0.000 0.424 219 Y N 1.271 121.584 120.300 0.022 0.000 2.457 219 Y HA 0.724 5.274 4.550 -0.000 0.000 0.343 219 Y C 0.521 176.428 175.900 0.010 0.000 0.994 219 Y CA -0.613 57.504 58.100 0.028 0.000 1.031 219 Y CB 2.838 41.305 38.460 0.013 0.000 1.246 219 Y HN 0.720 nan 8.280 nan 0.000 0.449 220 G N 3.603 112.499 108.800 0.161 0.000 3.948 220 G HA2 0.229 4.189 3.960 -0.000 0.000 0.300 220 G HA3 0.229 4.189 3.960 -0.000 0.000 0.300 220 G C -0.855 174.107 174.900 0.103 0.000 1.318 220 G CA -0.598 44.562 45.100 0.100 0.000 0.768 220 G HN 0.324 nan 8.290 nan 0.000 0.504 221 Q N 0.603 120.484 119.800 0.135 0.000 2.651 221 Q HA 0.182 4.522 4.340 -0.000 0.000 0.224 221 Q C 1.791 177.828 176.000 0.062 0.000 1.094 221 Q CA -0.237 55.634 55.803 0.112 0.000 1.018 221 Q CB 0.730 29.538 28.738 0.116 0.000 1.292 221 Q HN 0.478 nan 8.270 nan 0.000 0.588 222 M N 0.689 120.320 119.600 0.052 0.000 2.539 222 M HA -0.170 4.310 4.480 -0.000 0.000 0.261 222 M C 1.130 177.443 176.300 0.022 0.000 1.069 222 M CA 1.293 56.611 55.300 0.030 0.000 1.081 222 M CB -0.582 32.033 32.600 0.026 0.000 1.412 222 M HN 0.595 nan 8.290 nan 0.000 0.482 223 N N -0.474 118.240 118.700 0.024 0.000 2.314 223 N HA 0.048 4.788 4.740 -0.000 0.000 0.200 223 N C -0.130 175.389 175.510 0.015 0.000 1.135 223 N CA -0.201 52.859 53.050 0.017 0.000 0.835 223 N CB 0.333 38.828 38.487 0.013 0.000 0.989 223 N HN 0.131 nan 8.380 nan 0.000 0.478 224 E N 1.328 121.540 120.200 0.018 0.000 2.232 224 E HA 0.403 4.753 4.350 -0.000 0.000 0.265 224 E C -2.469 174.137 176.600 0.010 0.000 1.001 224 E CA -2.234 54.176 56.400 0.016 0.000 0.870 224 E CB 1.031 30.746 29.700 0.024 0.000 1.175 224 E HN 0.076 nan 8.360 nan 0.000 0.407 225 P HA 0.142 nan 4.420 nan 0.000 0.278 225 P C -1.908 175.391 177.300 -0.001 0.000 1.238 225 P CA -1.233 61.868 63.100 0.003 0.000 0.794 225 P CB 0.146 31.849 31.700 0.005 0.000 0.955 226 P HA -0.305 nan 4.420 nan 0.000 0.220 226 P C 1.524 178.814 177.300 -0.017 0.000 1.155 226 P CA 2.346 65.432 63.100 -0.023 0.000 0.880 226 P CB -0.645 31.037 31.700 -0.029 0.000 0.790 227 G N 0.490 109.288 108.800 -0.003 0.000 2.514 227 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.217 227 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.217 227 G C 1.859 176.770 174.900 0.019 0.000 1.198 227 G CA 1.776 46.882 45.100 0.010 0.000 0.780 227 G HN 0.422 nan 8.290 nan 0.000 0.565 228 A N 0.596 123.427 122.820 0.018 0.000 1.883 228 A HA -0.084 4.236 4.320 -0.000 0.000 0.217 228 A C 2.449 180.048 177.584 0.026 0.000 1.186 228 A CA 1.885 53.936 52.037 0.023 0.000 0.624 228 A CB -0.467 18.547 19.000 0.023 0.000 0.822 228 A HN 0.386 nan 8.150 nan 0.000 0.444 229 R N -0.721 119.789 120.500 0.017 0.000 2.152 229 R HA -0.067 4.272 4.340 -0.000 0.000 0.232 229 R C 2.218 178.543 176.300 0.042 0.000 1.117 229 R CA 1.043 57.153 56.100 0.017 0.000 0.981 229 R CB -0.378 29.919 30.300 -0.006 0.000 0.870 229 R HN 0.523 nan 8.270 nan 0.000 0.451 230 A N 0.515 123.353 122.820 0.029 0.000 2.168 230 A HA -0.038 4.282 4.320 -0.000 0.000 0.215 230 A C 1.709 179.409 177.584 0.192 0.000 1.152 230 A CA 0.821 52.893 52.037 0.059 0.000 0.716 230 A CB 0.073 19.056 19.000 -0.029 0.000 0.794 230 A HN 0.095 nan 8.150 nan 0.000 0.465 231 R N -1.050 119.511 120.500 0.101 0.000 2.276 231 R HA 0.059 4.399 4.340 -0.000 0.000 0.195 231 R C 1.975 178.269 176.300 -0.009 0.000 0.908 231 R CA 1.255 57.383 56.100 0.047 0.000 1.083 231 R CB -1.051 29.260 30.300 0.019 0.000 1.182 231 R HN 0.439 nan 8.270 nan 0.000 0.608 232 V N 0.851 120.764 119.914 -0.002 0.000 2.313 232 V HA -0.276 3.844 4.120 -0.000 0.000 0.253 232 V C 2.496 178.539 176.094 -0.086 0.000 1.070 232 V CA 2.195 64.474 62.300 -0.037 0.000 1.057 232 V CB -1.524 30.283 31.823 -0.026 0.000 0.653 232 V HN 0.215 nan 8.190 nan 0.000 0.450 233 A N 0.645 123.410 122.820 -0.093 0.000 1.948 233 A HA -0.115 4.205 4.320 -0.000 0.000 0.220 233 A C 2.272 179.731 177.584 -0.209 0.000 1.177 233 A CA 2.325 54.256 52.037 -0.177 0.000 0.636 233 A CB -0.617 18.235 19.000 -0.245 0.000 0.815 233 A HN 0.600 nan 8.150 nan 0.000 0.449 234 L N -1.227 119.880 121.223 -0.194 0.000 2.027 234 L HA -0.144 4.196 4.340 -0.000 0.000 0.206 234 L C 2.816 179.579 176.870 -0.178 0.000 1.074 234 L CA 1.780 56.490 54.840 -0.218 0.000 0.745 234 L CB -1.264 40.636 42.059 -0.266 0.000 0.898 234 L HN 0.332 nan 8.230 nan 0.000 0.433 235 T N 0.083 114.551 114.554 -0.142 0.000 2.635 235 T HA -0.182 4.168 4.350 -0.000 0.000 0.267 235 T C 1.835 176.464 174.700 -0.119 0.000 1.040 235 T CA 1.632 63.663 62.100 -0.115 0.000 1.156 235 T CB -0.695 68.126 68.868 -0.080 0.000 0.863 235 T HN 0.575 nan 8.240 nan 0.000 0.430 236 G N 1.562 110.288 108.800 -0.123 0.000 2.491 236 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.218 236 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.218 236 G C 1.561 176.387 174.900 -0.123 0.000 1.180 236 G CA 1.209 46.237 45.100 -0.121 0.000 0.774 236 G HN 0.487 nan 8.290 nan 0.000 0.562 237 L N 0.787 121.920 121.223 -0.149 0.000 2.083 237 L HA -0.014 4.326 4.340 -0.000 0.000 0.209 237 L C 2.775 179.568 176.870 -0.129 0.000 1.083 237 L CA 2.798 57.550 54.840 -0.147 0.000 0.752 237 L CB -0.963 40.987 42.059 -0.182 0.000 0.899 237 L HN 0.186 nan 8.230 nan 0.000 0.433 238 T N -0.841 113.632 114.554 -0.135 0.000 2.746 238 T HA -0.156 4.194 4.350 -0.000 0.000 0.267 238 T C 1.975 176.587 174.700 -0.145 0.000 1.039 238 T CA 1.631 63.655 62.100 -0.127 0.000 1.142 238 T CB -0.463 68.330 68.868 -0.125 0.000 0.866 238 T HN 0.232 nan 8.240 nan 0.000 0.444 239 V N 1.865 121.681 119.914 -0.165 0.000 2.255 239 V HA -0.222 3.898 4.120 -0.000 0.000 0.247 239 V C 2.931 178.862 176.094 -0.271 0.000 1.051 239 V CA 1.857 64.009 62.300 -0.248 0.000 1.018 239 V CB -1.288 30.434 31.823 -0.168 0.000 0.641 239 V HN 0.548 nan 8.190 nan 0.000 0.445 240 A N -0.290 122.466 122.820 -0.107 0.000 1.940 240 A HA -0.286 4.034 4.320 -0.000 0.000 0.219 240 A C 2.109 179.674 177.584 -0.030 0.000 1.176 240 A CA 2.083 54.118 52.037 -0.005 0.000 0.631 240 A CB -0.559 18.443 19.000 0.004 0.000 0.814 240 A HN 0.680 nan 8.150 nan 0.000 0.446 241 E N -1.738 118.420 120.200 -0.070 0.000 2.204 241 E HA -0.206 4.144 4.350 -0.000 0.000 0.195 241 E C 1.702 178.267 176.600 -0.058 0.000 0.990 241 E CA 1.282 57.649 56.400 -0.054 0.000 0.821 241 E CB -0.346 29.319 29.700 -0.059 0.000 0.750 241 E HN 0.841 nan 8.360 nan 0.000 0.477 242 Y N 0.965 121.118 120.300 -0.246 0.000 2.036 242 Y HA -0.292 4.258 4.550 -0.000 0.000 0.273 242 Y C 1.774 177.587 175.900 -0.146 0.000 1.135 242 Y CA 1.738 59.667 58.100 -0.284 0.000 1.106 242 Y CB -0.456 37.701 38.460 -0.504 0.000 0.976 242 Y HN -0.078 nan 8.280 nan 0.000 0.483 243 F N 0.790 120.778 119.950 0.064 0.000 2.346 243 F HA -0.170 4.357 4.527 -0.000 0.000 0.301 243 F C 2.622 178.398 175.800 -0.040 0.000 1.070 243 F CA 1.661 59.667 58.000 0.009 0.000 1.407 243 F CB -0.853 38.267 39.000 0.200 0.000 1.072 243 F HN 0.152 nan 8.300 nan 0.000 0.543 244 R N 0.218 120.764 120.500 0.077 0.000 2.066 244 R HA -0.075 4.265 4.340 -0.000 0.000 0.224 244 R C 1.497 177.775 176.300 -0.037 0.000 1.122 244 R CA 1.546 57.665 56.100 0.031 0.000 0.974 244 R CB -0.097 30.209 30.300 0.011 0.000 0.871 244 R HN 0.116 nan 8.270 nan 0.000 0.435 245 D N 0.217 120.559 120.400 -0.096 0.000 2.255 245 D HA -0.068 4.572 4.640 -0.000 0.000 0.224 245 D C 1.984 178.179 176.300 -0.174 0.000 0.997 245 D CA 0.699 54.633 54.000 -0.111 0.000 0.906 245 D CB -0.448 40.297 40.800 -0.091 0.000 1.047 245 D HN 0.076 nan 8.370 nan 0.000 0.458 246 Q N 0.611 120.216 119.800 -0.326 0.000 2.297 246 Q HA -0.098 4.242 4.340 -0.000 0.000 0.208 246 Q C 1.420 177.201 176.000 -0.365 0.000 0.981 246 Q CA 1.052 56.612 55.803 -0.406 0.000 0.876 246 Q CB -0.004 28.359 28.738 -0.626 0.000 0.921 246 Q HN 0.567 nan 8.270 nan 0.000 0.446 247 E N -1.674 118.334 120.200 -0.320 0.000 2.364 247 E HA 0.189 4.539 4.350 -0.000 0.000 0.203 247 E C 0.805 177.391 176.600 -0.023 0.000 0.888 247 E CA 0.431 56.774 56.400 -0.096 0.000 0.989 247 E CB 0.724 30.463 29.700 0.065 0.000 0.985 247 E HN 0.351 nan 8.360 nan 0.000 0.499 248 G N 2.377 111.159 108.800 -0.031 0.000 2.143 248 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.249 248 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.249 248 G C 0.211 175.124 174.900 0.022 0.000 0.981 248 G CA 0.646 45.741 45.100 -0.009 0.000 0.665 248 G HN 0.223 nan 8.290 nan 0.000 0.528 249 Q N -0.380 119.460 119.800 0.067 0.000 2.414 249 Q HA 0.434 4.774 4.340 -0.000 0.000 0.206 249 Q C -0.469 175.574 176.000 0.071 0.000 1.058 249 Q CA -0.314 55.524 55.803 0.059 0.000 1.025 249 Q CB 0.333 29.119 28.738 0.080 0.000 1.196 249 Q HN 0.222 nan 8.270 nan 0.000 0.586 250 D N 0.691 121.130 120.400 0.064 0.000 2.380 250 D HA 0.230 4.870 4.640 -0.000 0.000 0.230 250 D C -1.136 175.281 176.300 0.195 0.000 1.154 250 D CA -0.012 54.061 54.000 0.121 0.000 0.859 250 D CB 0.798 41.704 40.800 0.177 0.000 1.045 250 D HN 0.101 nan 8.370 nan 0.000 0.495 251 V N 2.774 122.755 119.914 0.113 0.000 2.837 251 V HA 0.449 4.569 4.120 -0.000 0.000 0.310 251 V C 0.357 176.394 176.094 -0.096 0.000 1.059 251 V CA -0.891 61.468 62.300 0.099 0.000 1.004 251 V CB 1.685 33.598 31.823 0.150 0.000 1.045 251 V HN 0.345 nan 8.190 nan 0.000 0.465 252 L N 3.715 124.837 121.223 -0.168 0.000 2.349 252 L HA 0.515 4.855 4.340 -0.000 0.000 0.278 252 L C -1.144 175.489 176.870 -0.395 0.000 0.996 252 L CA -0.580 54.020 54.840 -0.398 0.000 0.825 252 L CB 1.740 43.515 42.059 -0.473 0.000 1.243 252 L HN 0.436 nan 8.230 nan 0.000 0.412 253 L N 4.141 125.054 121.223 -0.516 0.000 2.313 253 L HA 0.606 4.946 4.340 -0.000 0.000 0.283 253 L C -1.269 175.264 176.870 -0.560 0.000 1.013 253 L CA 0.058 54.669 54.840 -0.381 0.000 0.816 253 L CB 1.119 43.031 42.059 -0.244 0.000 1.236 253 L HN 0.191 nan 8.230 nan 0.000 0.419 254 F N 5.939 125.795 119.950 -0.157 0.000 2.467 254 F HA 0.631 5.158 4.527 -0.000 0.000 0.336 254 F C -0.102 175.360 175.800 -0.562 0.000 1.123 254 F CA -0.502 57.326 58.000 -0.288 0.000 0.964 254 F CB 1.517 40.424 39.000 -0.156 0.000 1.136 254 F HN 0.222 nan 8.300 nan 0.000 0.447 255 I N 2.620 123.005 120.570 -0.307 0.000 2.498 255 I HA 0.362 4.532 4.170 -0.000 0.000 0.290 255 I C -1.447 174.485 176.117 -0.309 0.000 1.032 255 I CA -0.533 60.539 61.300 -0.380 0.000 1.073 255 I CB 2.194 40.038 38.000 -0.260 0.000 1.251 255 I HN 0.438 nan 8.210 nan 0.000 0.426 256 D N 5.704 125.903 120.400 -0.336 0.000 2.478 256 D HA 0.238 4.878 4.640 -0.000 0.000 0.240 256 D C -1.488 174.786 176.300 -0.043 0.000 1.364 256 D CA -0.315 53.610 54.000 -0.125 0.000 0.987 256 D CB 1.141 41.927 40.800 -0.023 0.000 1.328 256 D HN 0.391 nan 8.370 nan 0.000 0.584 257 N N 4.408 123.112 118.700 0.007 0.000 2.346 257 N HA 0.177 4.917 4.740 -0.000 0.000 0.289 257 N C 0.675 176.214 175.510 0.047 0.000 1.027 257 N CA -0.522 52.550 53.050 0.036 0.000 0.864 257 N CB 1.592 40.150 38.487 0.119 0.000 1.370 257 N HN 0.333 nan 8.380 nan 0.000 0.481 258 I N 4.062 124.635 120.570 0.006 0.000 2.530 258 I HA -0.160 4.010 4.170 -0.000 0.000 0.257 258 I C 1.746 177.938 176.117 0.125 0.000 1.179 258 I CA 0.829 62.138 61.300 0.014 0.000 1.440 258 I CB -0.622 37.334 38.000 -0.074 0.000 1.087 258 I HN 0.629 nan 8.210 nan 0.000 0.440 259 F N 1.796 121.779 119.950 0.054 0.000 2.091 259 F HA -0.306 4.221 4.527 -0.000 0.000 0.299 259 F C 2.402 178.275 175.800 0.121 0.000 1.103 259 F CA 1.728 59.798 58.000 0.115 0.000 1.228 259 F CB -0.512 38.608 39.000 0.199 0.000 0.984 259 F HN 0.002 nan 8.300 nan 0.000 0.477 260 R N 0.164 120.604 120.500 -0.099 0.000 2.185 260 R HA -0.263 4.077 4.340 -0.000 0.000 0.247 260 R C 2.157 178.354 176.300 -0.172 0.000 1.159 260 R CA 1.717 57.699 56.100 -0.196 0.000 0.988 260 R CB -2.105 28.184 30.300 -0.019 0.000 0.871 260 R HN 0.551 nan 8.270 nan 0.000 0.458 261 F N 1.556 121.383 119.950 -0.204 0.000 2.146 261 F HA -0.140 4.387 4.527 -0.000 0.000 0.298 261 F C 1.922 177.616 175.800 -0.176 0.000 1.096 261 F CA 1.643 59.549 58.000 -0.156 0.000 1.275 261 F CB -0.395 38.533 39.000 -0.121 0.000 1.008 261 F HN -0.124 nan 8.300 nan 0.000 0.480 262 T N 0.169 114.479 114.554 -0.407 0.000 2.857 262 T HA -0.179 4.171 4.350 -0.000 0.000 0.266 262 T C 1.901 176.356 174.700 -0.409 0.000 1.048 262 T CA 1.366 63.181 62.100 -0.475 0.000 1.139 262 T CB -0.309 68.427 68.868 -0.220 0.000 0.874 262 T HN 0.448 nan 8.240 nan 0.000 0.455 263 Q N 0.607 120.046 119.800 -0.601 0.000 2.172 263 Q HA -0.028 4.312 4.340 -0.000 0.000 0.200 263 Q C 2.467 178.321 176.000 -0.244 0.000 0.964 263 Q CA 1.137 56.692 55.803 -0.412 0.000 0.855 263 Q CB -0.233 28.142 28.738 -0.605 0.000 0.918 263 Q HN 0.518 nan 8.270 nan 0.000 0.444 264 A N 0.786 123.445 122.820 -0.268 0.000 1.865 264 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 264 A C 2.271 179.747 177.584 -0.180 0.000 1.191 264 A CA 1.871 53.798 52.037 -0.184 0.000 0.623 264 A CB -1.476 17.427 19.000 -0.161 0.000 0.826 264 A HN 0.593 nan 8.150 nan 0.000 0.444 265 G N -0.345 108.293 108.800 -0.270 0.000 2.446 265 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.217 265 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.217 265 G C 2.021 176.849 174.900 -0.120 0.000 1.168 265 G CA 2.043 47.012 45.100 -0.219 0.000 0.771 265 G HN 0.950 nan 8.290 nan 0.000 0.551 266 S N 0.899 116.543 115.700 -0.094 0.000 2.400 266 S HA -0.145 4.325 4.470 -0.000 0.000 0.232 266 S C 2.031 176.597 174.600 -0.057 0.000 1.025 266 S CA 1.886 60.059 58.200 -0.044 0.000 0.993 266 S CB -0.443 62.747 63.200 -0.017 0.000 0.808 266 S HN 0.616 nan 8.310 nan 0.000 0.478 267 E N 0.637 120.797 120.200 -0.067 0.000 2.268 267 E HA -0.066 4.284 4.350 -0.000 0.000 0.195 267 E C 2.021 178.597 176.600 -0.040 0.000 0.995 267 E CA 1.450 57.820 56.400 -0.051 0.000 0.836 267 E CB -0.230 29.441 29.700 -0.048 0.000 0.763 267 E HN 0.771 nan 8.360 nan 0.000 0.491 268 V N -3.078 116.811 119.914 -0.042 0.000 3.645 268 V HA 0.132 4.252 4.120 -0.000 0.000 0.275 268 V C 2.102 178.183 176.094 -0.023 0.000 1.356 268 V CA 0.456 62.739 62.300 -0.028 0.000 1.051 268 V CB 0.691 32.499 31.823 -0.026 0.000 0.828 268 V HN 0.039 nan 8.190 nan 0.000 0.441 269 S N 1.758 117.441 115.700 -0.028 0.000 2.378 269 S HA -0.310 4.160 4.470 -0.000 0.000 0.229 269 S C 2.177 176.770 174.600 -0.011 0.000 1.052 269 S CA 2.731 60.919 58.200 -0.019 0.000 1.084 269 S CB -0.542 62.649 63.200 -0.014 0.000 0.950 269 S HN 1.042 nan 8.310 nan 0.000 0.440 270 A N 1.329 124.141 122.820 -0.013 0.000 1.877 270 A HA 0.043 4.363 4.320 -0.000 0.000 0.216 270 A C 2.142 179.723 177.584 -0.005 0.000 1.186 270 A CA 1.528 53.560 52.037 -0.009 0.000 0.620 270 A CB -0.867 18.126 19.000 -0.011 0.000 0.822 270 A HN 0.594 nan 8.150 nan 0.000 0.443 271 L N -0.623 120.596 121.223 -0.007 0.000 2.447 271 L HA -0.129 4.211 4.340 -0.000 0.000 0.225 271 L C 1.781 178.651 176.870 0.001 0.000 1.148 271 L CA 0.576 55.415 54.840 -0.003 0.000 0.808 271 L CB -0.519 41.538 42.059 -0.003 0.000 0.928 271 L HN 0.366 nan 8.230 nan 0.000 0.448 272 L N -0.244 120.979 121.223 0.000 0.000 2.592 272 L HA 0.172 4.512 4.340 -0.000 0.000 0.227 272 L C 1.109 177.983 176.870 0.006 0.000 1.127 272 L CA 0.193 55.035 54.840 0.004 0.000 0.884 272 L CB -0.239 41.820 42.059 0.001 0.000 1.065 272 L HN 0.411 nan 8.230 nan 0.000 0.457 273 G N 1.565 110.368 108.800 0.004 0.000 2.368 273 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.290 273 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.290 273 G C -0.118 174.785 174.900 0.006 0.000 1.098 273 G CA -0.262 44.841 45.100 0.005 0.000 1.073 273 G HN 0.384 nan 8.290 nan 0.000 0.511 274 R N -0.748 119.755 120.500 0.005 0.000 2.670 274 R HA 0.618 4.958 4.340 -0.000 0.000 0.289 274 R C 0.377 176.682 176.300 0.008 0.000 0.965 274 R CA -1.149 54.956 56.100 0.007 0.000 0.899 274 R CB 1.678 31.983 30.300 0.008 0.000 1.173 274 R HN 0.238 nan 8.270 nan 0.000 0.456 275 I N 3.952 124.528 120.570 0.010 0.000 2.588 275 I HA 0.099 4.269 4.170 -0.000 0.000 0.283 275 I C -1.668 174.459 176.117 0.016 0.000 1.119 275 I CA -1.613 59.694 61.300 0.011 0.000 1.419 275 I CB 0.361 38.368 38.000 0.012 0.000 1.394 275 I HN 0.263 nan 8.210 nan 0.000 0.562 276 P HA 0.074 nan 4.420 nan 0.000 0.271 276 P C -0.338 176.982 177.300 0.035 0.000 1.218 276 P CA -0.235 62.877 63.100 0.020 0.000 0.780 276 P CB 1.099 32.803 31.700 0.007 0.000 0.901 277 S N 0.999 116.734 115.700 0.059 0.000 2.495 277 S HA 0.637 5.107 4.470 -0.000 0.000 0.273 277 S C 0.244 174.895 174.600 0.085 0.000 1.156 277 S CA -0.282 57.962 58.200 0.073 0.000 1.032 277 S CB 0.077 63.334 63.200 0.095 0.000 1.160 277 S HN 0.586 nan 8.310 nan 0.000 0.489 278 A N -0.102 122.780 122.820 0.104 0.000 2.327 278 A HA 0.490 4.810 4.320 -0.000 0.000 0.255 278 A C 0.990 178.669 177.584 0.159 0.000 1.099 278 A CA 0.164 52.264 52.037 0.106 0.000 0.801 278 A CB -0.511 18.545 19.000 0.093 0.000 1.062 278 A HN 1.584 nan 8.150 nan 0.000 0.496 279 V N -0.387 119.596 119.914 0.115 0.000 2.745 279 V HA -0.333 3.787 4.120 -0.000 0.000 0.150 279 V C 1.788 177.825 176.094 -0.096 0.000 0.454 279 V CA 1.937 64.291 62.300 0.089 0.000 1.212 279 V CB -2.509 29.453 31.823 0.232 0.000 1.411 279 V HN 2.869 nan 8.190 nan 0.000 1.061 280 G N -2.890 105.869 108.800 -0.069 0.000 2.253 280 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.251 280 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.251 280 G C -0.031 174.756 174.900 -0.187 0.000 0.998 280 G CA 0.241 45.247 45.100 -0.156 0.000 0.621 280 G HN 0.818 nan 8.290 nan 0.000 0.524 281 Y N 2.681 123.007 120.300 0.042 0.000 2.511 281 Y HA 0.334 4.884 4.550 -0.000 0.000 0.347 281 Y C 1.557 177.465 175.900 0.012 0.000 1.257 281 Y CA 0.395 58.514 58.100 0.032 0.000 1.469 281 Y CB 0.403 38.893 38.460 0.050 0.000 1.353 281 Y HN 0.487 nan 8.280 nan 0.000 0.617 282 Q N 3.358 123.268 119.800 0.183 0.000 2.417 282 Q HA 0.139 4.479 4.340 -0.000 0.000 0.241 282 Q C -2.277 173.777 176.000 0.091 0.000 1.008 282 Q CA -1.794 54.061 55.803 0.086 0.000 0.901 282 Q CB 0.744 29.508 28.738 0.044 0.000 1.259 282 Q HN 0.360 nan 8.270 nan 0.000 0.489 283 P HA -0.054 nan 4.420 nan 0.000 0.233 283 P C 0.888 178.214 177.300 0.043 0.000 1.167 283 P CA 1.172 64.303 63.100 0.052 0.000 0.770 283 P CB -0.027 31.695 31.700 0.036 0.000 0.837 284 T N -4.120 110.455 114.554 0.035 0.000 3.163 284 T HA 0.150 4.500 4.350 -0.000 0.000 0.252 284 T C 1.537 176.257 174.700 0.033 0.000 1.056 284 T CA -0.345 61.773 62.100 0.030 0.000 0.947 284 T CB -0.947 67.932 68.868 0.019 0.000 1.016 284 T HN -0.072 nan 8.240 nan 0.000 0.554 285 L N 1.427 122.671 121.223 0.034 0.000 1.987 285 L HA -0.248 4.092 4.340 -0.000 0.000 0.230 285 L C 2.875 179.773 176.870 0.047 0.000 1.089 285 L CA 2.407 57.259 54.840 0.020 0.000 0.802 285 L CB -0.917 41.141 42.059 -0.001 0.000 0.905 285 L HN 0.403 nan 8.230 nan 0.000 0.441 286 A N -0.930 121.923 122.820 0.055 0.000 1.908 286 A HA -0.271 4.049 4.320 -0.000 0.000 0.218 286 A C 2.299 179.945 177.584 0.102 0.000 1.181 286 A CA 2.764 54.853 52.037 0.087 0.000 0.627 286 A CB -1.332 17.714 19.000 0.076 0.000 0.818 286 A HN 0.721 nan 8.150 nan 0.000 0.445 287 T N -2.561 112.039 114.554 0.077 0.000 2.857 287 T HA -0.118 4.232 4.350 -0.000 0.000 0.266 287 T C 1.401 176.155 174.700 0.089 0.000 1.048 287 T CA 1.381 63.525 62.100 0.074 0.000 1.139 287 T CB -0.450 68.449 68.868 0.051 0.000 0.874 287 T HN 0.335 nan 8.240 nan 0.000 0.455 288 D N 0.859 121.317 120.400 0.097 0.000 2.123 288 D HA -0.044 4.596 4.640 -0.000 0.000 0.196 288 D C 1.937 178.391 176.300 0.257 0.000 0.992 288 D CA 1.019 55.111 54.000 0.153 0.000 0.833 288 D CB -0.346 40.500 40.800 0.077 0.000 0.954 288 D HN 0.408 nan 8.370 nan 0.000 0.455 289 M N 0.065 119.789 119.600 0.208 0.000 2.156 289 M HA -0.042 4.438 4.480 -0.000 0.000 0.264 289 M C 2.031 178.319 176.300 -0.019 0.000 1.067 289 M CA 1.790 57.190 55.300 0.166 0.000 1.131 289 M CB -0.158 32.532 32.600 0.151 0.000 1.368 289 M HN 0.005 nan 8.290 nan 0.000 0.416 290 G N -0.184 108.648 108.800 0.053 0.000 2.459 290 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.217 290 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.217 290 G C 1.398 176.293 174.900 -0.009 0.000 1.183 290 G CA 1.673 46.802 45.100 0.048 0.000 0.776 290 G HN 0.592 nan 8.290 nan 0.000 0.552 291 T N -1.634 112.932 114.554 0.019 0.000 2.977 291 T HA -0.029 4.321 4.350 -0.000 0.000 0.271 291 T C 2.153 176.826 174.700 -0.045 0.000 1.105 291 T CA 1.617 63.721 62.100 0.007 0.000 1.116 291 T CB -0.082 68.809 68.868 0.038 0.000 0.878 291 T HN 0.313 nan 8.240 nan 0.000 0.509 292 M N -0.194 119.342 119.600 -0.108 0.000 2.369 292 M HA 0.066 4.546 4.480 -0.000 0.000 0.254 292 M C 2.403 178.546 176.300 -0.261 0.000 1.136 292 M CA 0.789 55.950 55.300 -0.232 0.000 1.190 292 M CB -0.023 32.297 32.600 -0.466 0.000 1.289 292 M HN -0.006 nan 8.290 nan 0.000 0.468 293 Q N 0.903 120.503 119.800 -0.335 0.000 2.248 293 Q HA -0.191 4.149 4.340 -0.000 0.000 0.208 293 Q C 1.643 177.515 176.000 -0.214 0.000 0.984 293 Q CA 1.370 56.948 55.803 -0.375 0.000 0.875 293 Q CB -0.475 27.775 28.738 -0.813 0.000 0.910 293 Q HN 0.587 nan 8.270 nan 0.000 0.433 294 E N 0.053 120.170 120.200 -0.138 0.000 2.338 294 E HA -0.103 4.247 4.350 -0.000 0.000 0.197 294 E C 1.781 178.353 176.600 -0.046 0.000 1.007 294 E CA 0.456 56.832 56.400 -0.039 0.000 0.849 294 E CB 0.046 29.755 29.700 0.015 0.000 0.774 294 E HN 0.347 nan 8.360 nan 0.000 0.506 295 R N 0.034 120.484 120.500 -0.084 0.000 2.112 295 R HA 0.185 4.525 4.340 -0.000 0.000 0.216 295 R C 1.104 177.351 176.300 -0.089 0.000 1.080 295 R CA 0.132 56.185 56.100 -0.078 0.000 0.996 295 R CB 0.171 30.416 30.300 -0.092 0.000 0.902 295 R HN 0.053 nan 8.270 nan 0.000 0.449 296 I N 2.222 122.721 120.570 -0.120 0.000 2.593 296 I HA -0.035 4.135 4.170 -0.000 0.000 0.304 296 I C 0.004 176.068 176.117 -0.088 0.000 1.176 296 I CA 0.640 61.866 61.300 -0.123 0.000 1.533 296 I CB -0.197 37.705 38.000 -0.163 0.000 1.492 296 I HN 0.030 nan 8.210 nan 0.000 0.704 297 T N 3.022 117.535 114.554 -0.069 0.000 2.886 297 T HA 0.246 4.596 4.350 -0.000 0.000 0.330 297 T C -0.349 174.325 174.700 -0.042 0.000 1.488 297 T CA -0.400 61.672 62.100 -0.048 0.000 1.054 297 T CB 1.633 70.485 68.868 -0.026 0.000 1.348 297 T HN 0.305 nan 8.240 nan 0.000 0.489 298 T N 3.283 117.816 114.554 -0.036 0.000 2.907 298 T HA 0.594 4.944 4.350 -0.000 0.000 0.298 298 T C 0.570 175.253 174.700 -0.029 0.000 1.017 298 T CA -0.201 61.880 62.100 -0.032 0.000 1.118 298 T CB 0.857 69.708 68.868 -0.029 0.000 0.948 298 T HN 0.873 nan 8.240 nan 0.000 0.531 299 T N -0.148 114.388 114.554 -0.029 0.000 2.676 299 T HA 0.477 4.827 4.350 -0.000 0.000 0.269 299 T C 0.910 175.590 174.700 -0.033 0.000 0.952 299 T CA -0.991 61.090 62.100 -0.033 0.000 1.040 299 T CB 1.348 70.197 68.868 -0.031 0.000 1.352 299 T HN 0.392 nan 8.240 nan 0.000 0.554 300 K N 0.092 120.470 120.400 -0.037 0.000 2.243 300 K HA 0.132 4.452 4.320 -0.000 0.000 0.201 300 K C 2.220 178.804 176.600 -0.027 0.000 1.051 300 K CA 0.425 56.692 56.287 -0.034 0.000 0.970 300 K CB 0.001 32.477 32.500 -0.040 0.000 0.755 300 K HN 0.435 nan 8.250 nan 0.000 0.465 301 K N 0.625 121.008 120.400 -0.027 0.000 2.002 301 K HA -0.057 4.263 4.320 -0.000 0.000 0.209 301 K C 1.265 177.853 176.600 -0.020 0.000 1.048 301 K CA 1.250 57.521 56.287 -0.026 0.000 0.930 301 K CB 0.021 32.501 32.500 -0.032 0.000 0.714 301 K HN 0.184 nan 8.250 nan 0.000 0.438 302 G N -0.550 108.240 108.800 -0.017 0.000 2.866 302 G HA2 0.378 4.338 3.960 -0.000 0.000 0.289 302 G HA3 0.378 4.338 3.960 -0.000 0.000 0.289 302 G C -1.612 173.286 174.900 -0.004 0.000 1.396 302 G CA -0.469 44.628 45.100 -0.004 0.000 0.848 302 G HN 0.009 nan 8.290 nan 0.000 0.515 303 S N -0.903 114.801 115.700 0.007 0.000 2.532 303 S HA 0.734 5.204 4.470 -0.000 0.000 0.299 303 S C -0.759 173.835 174.600 -0.010 0.000 1.105 303 S CA -0.689 57.509 58.200 -0.003 0.000 1.018 303 S CB 0.719 63.922 63.200 0.005 0.000 1.021 303 S HN 0.459 nan 8.310 nan 0.000 0.483 304 I N 3.063 123.610 120.570 -0.038 0.000 2.603 304 I HA 0.420 4.590 4.170 -0.000 0.000 0.300 304 I C -0.427 175.624 176.117 -0.109 0.000 1.017 304 I CA -0.664 60.595 61.300 -0.070 0.000 1.098 304 I CB 2.569 40.525 38.000 -0.074 0.000 1.279 304 I HN 0.521 nan 8.210 nan 0.000 0.437 305 T N 2.955 117.405 114.554 -0.174 0.000 3.068 305 T HA 0.244 4.594 4.350 -0.000 0.000 0.364 305 T C -0.302 174.199 174.700 -0.332 0.000 1.161 305 T CA -0.670 61.302 62.100 -0.213 0.000 1.155 305 T CB 0.581 69.327 68.868 -0.204 0.000 1.060 305 T HN 0.602 nan 8.240 nan 0.000 0.513 306 S N 1.781 117.312 115.700 -0.281 0.000 2.513 306 S HA 0.631 5.101 4.470 -0.000 0.000 0.276 306 S C 0.023 174.435 174.600 -0.312 0.000 1.254 306 S CA -0.831 57.178 58.200 -0.319 0.000 1.053 306 S CB 1.381 64.445 63.200 -0.227 0.000 0.958 306 S HN 0.391 nan 8.310 nan 0.000 0.491 307 V N 3.620 123.340 119.914 -0.323 0.000 2.376 307 V HA 0.359 4.479 4.120 -0.000 0.000 0.287 307 V C -0.460 175.572 176.094 -0.105 0.000 1.015 307 V CA -0.513 61.688 62.300 -0.164 0.000 0.834 307 V CB 1.071 32.942 31.823 0.080 0.000 1.001 307 V HN 0.914 nan 8.190 nan 0.000 0.428 308 Q N 3.059 122.767 119.800 -0.153 0.000 2.316 308 Q HA 0.771 5.111 4.340 -0.000 0.000 0.264 308 Q C -0.215 175.690 176.000 -0.158 0.000 0.987 308 Q CA -0.554 55.152 55.803 -0.161 0.000 0.852 308 Q CB 2.649 31.267 28.738 -0.199 0.000 1.287 308 Q HN 0.839 nan 8.270 nan 0.000 0.448 309 A N 3.406 126.161 122.820 -0.110 0.000 2.331 309 A HA 0.604 4.924 4.320 -0.000 0.000 0.283 309 A C -0.493 177.017 177.584 -0.124 0.000 1.142 309 A CA -0.369 51.617 52.037 -0.086 0.000 0.812 309 A CB 0.225 19.226 19.000 0.003 0.000 1.074 309 A HN 0.746 nan 8.150 nan 0.000 0.497 310 I N 2.554 122.988 120.570 -0.227 0.000 2.439 310 I HA 0.181 4.350 4.170 -0.000 0.000 0.283 310 I C -0.767 175.304 176.117 -0.076 0.000 1.023 310 I CA -0.513 60.636 61.300 -0.252 0.000 1.100 310 I CB 1.340 38.868 38.000 -0.787 0.000 1.238 310 I HN 0.744 nan 8.210 nan 0.000 0.445 311 Y N 7.107 127.370 120.300 -0.061 0.000 2.411 311 Y HA 0.367 4.917 4.550 -0.000 0.000 0.333 311 Y C -0.352 175.387 175.900 -0.268 0.000 1.186 311 Y CA -0.069 57.934 58.100 -0.163 0.000 1.381 311 Y CB 0.952 39.257 38.460 -0.257 0.000 1.273 311 Y HN 0.266 nan 8.280 nan 0.000 0.546 312 V N 8.988 128.349 119.914 -0.922 0.000 2.305 312 V HA 0.276 4.396 4.120 -0.000 0.000 0.275 312 V C -2.295 173.216 176.094 -0.971 0.000 1.020 312 V CA -2.090 59.814 62.300 -0.659 0.000 0.811 312 V CB 0.916 32.598 31.823 -0.235 0.000 1.031 312 V HN 0.719 nan 8.190 nan 0.000 0.439 313 P HA 0.067 nan 4.420 nan 0.000 0.262 313 P C 0.757 177.922 177.300 -0.223 0.000 1.182 313 P CA 0.999 63.818 63.100 -0.469 0.000 0.761 313 P CB 0.643 32.294 31.700 -0.081 0.000 0.795 314 A N 3.705 126.450 122.820 -0.125 0.000 2.829 314 A HA -0.280 4.040 4.320 -0.000 0.000 0.267 314 A C 1.023 178.561 177.584 -0.076 0.000 1.370 314 A CA 1.433 53.437 52.037 -0.055 0.000 0.900 314 A CB -2.527 16.464 19.000 -0.014 0.000 1.044 314 A HN 0.584 nan 8.150 nan 0.000 0.691 315 D N -1.973 118.343 120.400 -0.139 0.000 3.046 315 D HA -0.166 4.474 4.640 -0.000 0.000 0.210 315 D C -0.206 176.053 176.300 -0.069 0.000 1.124 315 D CA 1.945 55.884 54.000 -0.101 0.000 0.986 315 D CB -1.201 39.567 40.800 -0.053 0.000 1.118 315 D HN 0.897 nan 8.370 nan 0.000 0.416 316 D N 0.439 120.798 120.400 -0.067 0.000 2.441 316 D HA 0.199 4.839 4.640 -0.000 0.000 0.221 316 D C 1.561 177.856 176.300 -0.008 0.000 1.156 316 D CA -0.307 53.675 54.000 -0.030 0.000 0.896 316 D CB 0.135 40.930 40.800 -0.009 0.000 1.028 316 D HN 0.143 nan 8.370 nan 0.000 0.509 317 L N 2.560 123.783 121.223 0.001 0.000 2.450 317 L HA -0.174 4.166 4.340 -0.000 0.000 0.225 317 L C 2.301 179.205 176.870 0.056 0.000 1.145 317 L CA 1.487 56.357 54.840 0.051 0.000 0.801 317 L CB -0.358 41.710 42.059 0.015 0.000 0.924 317 L HN 0.473 nan 8.230 nan 0.000 0.447 318 T N -4.941 109.622 114.554 0.015 0.000 3.100 318 T HA -0.060 4.289 4.350 -0.000 0.000 0.253 318 T C 0.820 175.553 174.700 0.056 0.000 1.118 318 T CA -0.395 61.713 62.100 0.013 0.000 1.058 318 T CB -0.316 68.546 68.868 -0.009 0.000 0.953 318 T HN 0.217 nan 8.240 nan 0.000 0.515 319 D N 3.050 123.497 120.400 0.077 0.000 2.583 319 D HA -0.011 4.629 4.640 -0.000 0.000 0.232 319 D C -1.366 174.986 176.300 0.087 0.000 1.128 319 D CA -1.185 52.888 54.000 0.121 0.000 0.859 319 D CB 1.330 42.207 40.800 0.129 0.000 1.169 319 D HN 0.036 nan 8.370 nan 0.000 0.481 320 P HA -0.212 nan 4.420 nan 0.000 0.218 320 P C 0.688 177.892 177.300 -0.160 0.000 1.147 320 P CA 1.770 64.825 63.100 -0.074 0.000 0.827 320 P CB 0.155 31.782 31.700 -0.121 0.000 0.778 321 A N -0.316 122.372 122.820 -0.219 0.000 1.835 321 A HA -0.008 4.312 4.320 -0.000 0.000 0.213 321 A C -0.134 177.543 177.584 0.154 0.000 1.210 321 A CA 1.499 53.505 52.037 -0.050 0.000 0.605 321 A CB -1.955 17.084 19.000 0.066 0.000 0.860 321 A HN 0.179 nan 8.150 nan 0.000 0.447 322 P HA -0.159 nan 4.420 nan 0.000 0.215 322 P C 1.688 179.270 177.300 0.469 0.000 1.153 322 P CA 2.218 65.529 63.100 0.352 0.000 0.853 322 P CB -0.256 31.651 31.700 0.344 0.000 0.788 323 A N -0.306 122.748 122.820 0.390 0.000 1.873 323 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 323 A C 2.339 180.124 177.584 0.336 0.000 1.193 323 A CA 2.869 55.122 52.037 0.361 0.000 0.629 323 A CB -2.074 17.009 19.000 0.138 0.000 0.826 323 A HN 0.213 nan 8.150 nan 0.000 0.447 324 T N -0.352 114.329 114.554 0.211 0.000 2.929 324 T HA -0.070 4.280 4.350 -0.000 0.000 0.271 324 T C 1.761 176.614 174.700 0.255 0.000 1.085 324 T CA 1.742 63.948 62.100 0.178 0.000 1.125 324 T CB -0.364 68.573 68.868 0.114 0.000 0.874 324 T HN 0.597 nan 8.240 nan 0.000 0.494 325 T N 1.327 116.067 114.554 0.310 0.000 3.014 325 T HA 0.113 4.463 4.350 -0.000 0.000 0.263 325 T C 1.468 176.355 174.700 0.312 0.000 1.078 325 T CA 0.319 62.609 62.100 0.317 0.000 1.135 325 T CB -0.381 68.581 68.868 0.157 0.000 0.895 325 T HN 0.319 nan 8.240 nan 0.000 0.480 326 F N 2.342 122.470 119.950 0.297 0.000 2.115 326 F HA -0.181 4.346 4.527 -0.000 0.000 0.300 326 F C 2.689 178.534 175.800 0.075 0.000 1.092 326 F CA 1.162 59.286 58.000 0.206 0.000 1.245 326 F CB -0.776 38.230 39.000 0.011 0.000 0.995 326 F HN 0.158 nan 8.300 nan 0.000 0.481 327 A N -1.181 121.727 122.820 0.146 0.000 2.076 327 A HA -0.200 4.120 4.320 -0.000 0.000 0.220 327 A C 1.708 179.202 177.584 -0.150 0.000 1.160 327 A CA 1.517 53.517 52.037 -0.062 0.000 0.653 327 A CB -0.961 17.917 19.000 -0.203 0.000 0.801 327 A HN 0.493 nan 8.150 nan 0.000 0.455 328 H N -0.971 118.155 119.070 0.094 0.000 2.547 328 H HA 0.261 4.817 4.556 -0.000 0.000 0.266 328 H C 0.087 175.430 175.328 0.025 0.000 0.988 328 H CA 0.357 56.430 56.048 0.042 0.000 1.147 328 H CB -0.139 29.631 29.762 0.013 0.000 1.365 328 H HN 0.373 nan 8.280 nan 0.000 0.589 329 L N 0.231 121.531 121.223 0.129 0.000 2.334 329 L HA 0.219 4.559 4.340 -0.000 0.000 0.270 329 L C 0.890 177.802 176.870 0.070 0.000 1.018 329 L CA -0.559 54.331 54.840 0.084 0.000 0.811 329 L CB 1.639 43.761 42.059 0.105 0.000 1.271 329 L HN -0.113 nan 8.230 nan 0.000 0.443 330 D N 0.677 121.100 120.400 0.039 0.000 2.392 330 D HA 0.248 4.888 4.640 -0.000 0.000 0.206 330 D C 0.128 176.463 176.300 0.059 0.000 1.046 330 D CA 0.472 54.498 54.000 0.043 0.000 0.865 330 D CB 1.316 42.131 40.800 0.025 0.000 0.969 330 D HN 0.517 nan 8.370 nan 0.000 0.509 331 A N 0.678 123.527 122.820 0.048 0.000 2.488 331 A HA 0.561 4.881 4.320 -0.000 0.000 0.298 331 A C -0.604 177.039 177.584 0.098 0.000 1.044 331 A CA -0.595 51.496 52.037 0.090 0.000 0.693 331 A CB 1.713 20.781 19.000 0.115 0.000 1.272 331 A HN -0.038 nan 8.150 nan 0.000 0.402 332 T N -0.865 113.799 114.554 0.184 0.000 2.881 332 T HA 0.697 5.047 4.350 -0.000 0.000 0.290 332 T C -0.647 174.216 174.700 0.271 0.000 1.000 332 T CA -0.423 61.823 62.100 0.243 0.000 0.978 332 T CB 1.481 70.533 68.868 0.307 0.000 0.997 332 T HN 0.528 nan 8.240 nan 0.000 0.443 333 T N 3.503 118.237 114.554 0.299 0.000 2.821 333 T HA 0.488 4.838 4.350 -0.000 0.000 0.307 333 T C -0.154 174.711 174.700 0.275 0.000 1.034 333 T CA -0.473 61.797 62.100 0.283 0.000 0.953 333 T CB 0.701 69.767 68.868 0.330 0.000 0.968 333 T HN 0.658 nan 8.240 nan 0.000 0.462 334 V N 5.668 125.710 119.914 0.213 0.000 2.383 334 V HA 0.380 4.500 4.120 -0.000 0.000 0.275 334 V C -0.221 175.960 176.094 0.145 0.000 1.036 334 V CA -0.811 61.607 62.300 0.197 0.000 0.889 334 V CB 0.936 32.831 31.823 0.121 0.000 0.985 334 V HN 0.604 nan 8.190 nan 0.000 0.459 335 L N 4.222 125.536 121.223 0.152 0.000 2.360 335 L HA 0.687 5.027 4.340 -0.000 0.000 0.271 335 L C 0.304 177.213 176.870 0.066 0.000 1.057 335 L CA 0.424 55.326 54.840 0.104 0.000 0.803 335 L CB 1.751 43.883 42.059 0.121 0.000 1.207 335 L HN 0.731 nan 8.230 nan 0.000 0.445 336 S N 1.480 117.196 115.700 0.027 0.000 2.614 336 S HA 0.402 4.872 4.470 -0.000 0.000 0.288 336 S C 0.739 175.327 174.600 -0.020 0.000 1.137 336 S CA -0.764 57.437 58.200 0.003 0.000 0.992 336 S CB 1.145 64.340 63.200 -0.008 0.000 1.026 336 S HN 0.707 nan 8.310 nan 0.000 0.486 337 R N 3.277 123.769 120.500 -0.012 0.000 2.159 337 R HA -0.061 4.279 4.340 -0.000 0.000 0.237 337 R C 1.828 178.105 176.300 -0.039 0.000 1.131 337 R CA 1.809 57.898 56.100 -0.018 0.000 0.982 337 R CB -0.649 29.650 30.300 -0.002 0.000 0.868 337 R HN 0.758 nan 8.270 nan 0.000 0.453 338 A N 0.887 123.685 122.820 -0.037 0.000 1.969 338 A HA -0.070 4.250 4.320 -0.000 0.000 0.218 338 A C 2.044 179.593 177.584 -0.058 0.000 1.169 338 A CA 1.117 53.130 52.037 -0.041 0.000 0.635 338 A CB -0.255 18.725 19.000 -0.034 0.000 0.810 338 A HN 0.362 nan 8.150 nan 0.000 0.445 339 I N -0.632 119.895 120.570 -0.073 0.000 2.235 339 I HA -0.151 4.019 4.170 -0.000 0.000 0.241 339 I C 2.976 178.976 176.117 -0.196 0.000 1.085 339 I CA 0.857 62.096 61.300 -0.102 0.000 1.378 339 I CB -0.439 37.511 38.000 -0.084 0.000 1.076 339 I HN 0.308 nan 8.210 nan 0.000 0.415 340 A N 0.489 123.155 122.820 -0.257 0.000 1.948 340 A HA -0.308 4.012 4.320 -0.000 0.000 0.220 340 A C 2.281 179.697 177.584 -0.280 0.000 1.177 340 A CA 2.138 53.892 52.037 -0.472 0.000 0.636 340 A CB -0.817 18.027 19.000 -0.259 0.000 0.815 340 A HN 0.536 nan 8.150 nan 0.000 0.449 341 E N -0.188 119.935 120.200 -0.128 0.000 2.219 341 E HA -0.174 4.176 4.350 -0.000 0.000 0.198 341 E C 1.484 178.050 176.600 -0.056 0.000 0.998 341 E CA 1.069 57.434 56.400 -0.058 0.000 0.818 341 E CB -0.188 29.491 29.700 -0.034 0.000 0.741 341 E HN 0.694 nan 8.360 nan 0.000 0.477 342 L N -0.973 120.197 121.223 -0.088 0.000 2.558 342 L HA 0.187 4.527 4.340 -0.000 0.000 0.225 342 L C 1.433 178.270 176.870 -0.054 0.000 1.128 342 L CA 0.466 55.266 54.840 -0.067 0.000 0.868 342 L CB 0.210 42.230 42.059 -0.064 0.000 1.006 342 L HN 0.373 nan 8.230 nan 0.000 0.454 343 G N 0.729 109.482 108.800 -0.078 0.000 2.131 343 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.223 343 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.223 343 G C 0.138 175.077 174.900 0.064 0.000 0.990 343 G CA -0.551 44.583 45.100 0.056 0.000 0.671 343 G HN 0.167 nan 8.290 nan 0.000 0.521 344 I N 1.406 121.867 120.570 -0.182 0.000 2.287 344 I HA 0.398 4.568 4.170 -0.000 0.000 0.290 344 I C -0.243 175.662 176.117 -0.354 0.000 1.069 344 I CA -0.573 60.662 61.300 -0.109 0.000 1.237 344 I CB 0.007 37.976 38.000 -0.052 0.000 1.418 344 I HN 0.049 nan 8.210 nan 0.000 0.481 345 Y N 7.226 127.473 120.300 -0.089 0.000 2.377 345 Y HA 0.413 4.963 4.550 -0.000 0.000 0.339 345 Y C -2.003 173.674 175.900 -0.370 0.000 1.011 345 Y CA -2.811 55.163 58.100 -0.211 0.000 1.093 345 Y CB 1.383 39.707 38.460 -0.226 0.000 1.201 345 Y HN 0.389 nan 8.280 nan 0.000 0.455 346 P HA 0.082 nan 4.420 nan 0.000 0.271 346 P C -0.386 176.889 177.300 -0.041 0.000 1.220 346 P CA -0.142 62.870 63.100 -0.146 0.000 0.768 346 P CB 1.001 32.636 31.700 -0.108 0.000 0.848 347 A N 4.162 126.973 122.820 -0.016 0.000 2.711 347 A HA 0.172 4.492 4.320 -0.000 0.000 0.242 347 A C 0.610 178.190 177.584 -0.006 0.000 1.607 347 A CA -0.186 51.796 52.037 -0.093 0.000 1.370 347 A CB -1.239 17.651 19.000 -0.183 0.000 0.934 347 A HN 0.390 nan 8.150 nan 0.000 0.628 348 V N 0.756 120.685 119.914 0.025 0.000 2.811 348 V HA 0.054 4.173 4.120 -0.000 0.000 0.302 348 V C 0.431 176.541 176.094 0.028 0.000 1.063 348 V CA -0.336 61.997 62.300 0.055 0.000 1.088 348 V CB 1.249 33.118 31.823 0.077 0.000 0.982 348 V HN 0.603 nan 8.190 nan 0.000 0.485 349 D N 6.125 126.547 120.400 0.036 0.000 2.380 349 D HA 0.258 4.898 4.640 -0.000 0.000 0.230 349 D C -1.391 174.916 176.300 0.012 0.000 1.154 349 D CA -2.203 51.806 54.000 0.016 0.000 0.859 349 D CB 1.846 42.654 40.800 0.014 0.000 1.045 349 D HN 0.231 nan 8.370 nan 0.000 0.495 350 P HA -0.081 nan 4.420 nan 0.000 0.222 350 P C 0.939 178.223 177.300 -0.027 0.000 1.147 350 P CA 0.761 63.847 63.100 -0.023 0.000 0.790 350 P CB 0.315 31.991 31.700 -0.040 0.000 0.780 351 L N -1.416 119.796 121.223 -0.020 0.000 2.769 351 L HA 0.329 4.669 4.340 -0.000 0.000 0.240 351 L C 1.063 177.916 176.870 -0.027 0.000 1.163 351 L CA 0.263 55.086 54.840 -0.027 0.000 0.962 351 L CB -0.088 41.955 42.059 -0.028 0.000 1.258 351 L HN -0.185 nan 8.230 nan 0.000 0.513 352 D N -0.994 119.398 120.400 -0.013 0.000 2.538 352 D HA 0.118 4.758 4.640 -0.000 0.000 0.241 352 D C -0.044 176.268 176.300 0.020 0.000 1.297 352 D CA 0.230 54.220 54.000 -0.017 0.000 0.804 352 D CB 0.844 41.629 40.800 -0.026 0.000 1.122 352 D HN -0.084 nan 8.370 nan 0.000 0.519 353 S N -0.176 115.546 115.700 0.037 0.000 2.454 353 S HA 0.709 5.179 4.470 -0.000 0.000 0.306 353 S C -0.188 174.454 174.600 0.071 0.000 1.100 353 S CA -0.552 57.697 58.200 0.081 0.000 1.087 353 S CB 1.760 65.016 63.200 0.093 0.000 1.019 353 S HN 0.290 nan 8.310 nan 0.000 0.480 354 T N -0.740 113.876 114.554 0.104 0.000 2.864 354 T HA 0.803 5.153 4.350 -0.000 0.000 0.299 354 T C -0.781 173.986 174.700 0.112 0.000 1.166 354 T CA -0.829 61.320 62.100 0.082 0.000 1.007 354 T CB 1.826 70.733 68.868 0.064 0.000 1.219 354 T HN 0.430 nan 8.240 nan 0.000 0.506 355 S N -0.671 115.082 115.700 0.089 0.000 2.540 355 S HA 0.440 4.910 4.470 -0.000 0.000 0.275 355 S C 0.668 175.311 174.600 0.073 0.000 1.123 355 S CA -0.841 57.419 58.200 0.100 0.000 0.907 355 S CB 1.977 65.239 63.200 0.104 0.000 1.081 355 S HN 0.935 nan 8.310 nan 0.000 0.476 356 R N 2.841 123.384 120.500 0.071 0.000 2.235 356 R HA 0.088 4.428 4.340 -0.000 0.000 0.213 356 R C 1.498 177.827 176.300 0.049 0.000 1.059 356 R CA 1.648 57.781 56.100 0.056 0.000 0.997 356 R CB -0.424 29.906 30.300 0.050 0.000 0.884 356 R HN 0.837 nan 8.270 nan 0.000 0.462 357 I N -2.391 118.208 120.570 0.048 0.000 3.793 357 I HA 0.164 4.334 4.170 -0.000 0.000 0.315 357 I C 0.294 176.423 176.117 0.021 0.000 1.275 357 I CA -0.210 61.110 61.300 0.033 0.000 1.214 357 I CB 0.201 38.220 38.000 0.032 0.000 1.018 357 I HN -0.048 nan 8.210 nan 0.000 0.439 358 M N 3.332 122.952 119.600 0.033 0.000 3.445 358 M HA 0.193 4.673 4.480 -0.000 0.000 0.224 358 M C -0.731 175.686 176.300 0.194 0.000 1.551 358 M CA 0.758 56.086 55.300 0.046 0.000 1.671 358 M CB -1.461 31.143 32.600 0.007 0.000 1.159 358 M HN 0.257 nan 8.290 nan 0.000 0.547 359 D N 2.766 123.248 120.400 0.138 0.000 2.787 359 D HA 0.390 5.030 4.640 -0.000 0.000 0.246 359 D C -2.055 174.232 176.300 -0.022 0.000 1.150 359 D CA -1.655 52.379 54.000 0.058 0.000 0.864 359 D CB 2.629 43.434 40.800 0.009 0.000 1.481 359 D HN 0.055 nan 8.370 nan 0.000 0.509 360 P HA -0.117 nan 4.420 nan 0.000 0.216 360 P C 0.923 178.166 177.300 -0.095 0.000 1.150 360 P CA 0.984 63.946 63.100 -0.229 0.000 0.837 360 P CB 0.343 31.773 31.700 -0.449 0.000 0.786 361 N N -0.769 117.872 118.700 -0.099 0.000 2.520 361 N HA -0.025 4.715 4.740 -0.000 0.000 0.185 361 N C 1.556 177.055 175.510 -0.018 0.000 1.068 361 N CA 0.626 53.647 53.050 -0.049 0.000 0.911 361 N CB -0.024 38.435 38.487 -0.046 0.000 0.961 361 N HN 0.243 nan 8.380 nan 0.000 0.446 362 I N -0.633 119.932 120.570 -0.009 0.000 3.443 362 I HA -0.069 4.101 4.170 -0.000 0.000 0.277 362 I C 1.924 178.058 176.117 0.029 0.000 1.169 362 I CA 0.404 61.711 61.300 0.010 0.000 1.419 362 I CB 0.208 38.214 38.000 0.010 0.000 1.331 362 I HN -0.079 nan 8.210 nan 0.000 0.458 363 V N -1.301 118.629 119.914 0.027 0.000 3.565 363 V HA 0.590 4.710 4.120 -0.000 0.000 0.260 363 V C 0.867 177.046 176.094 0.141 0.000 1.231 363 V CA 0.324 62.664 62.300 0.066 0.000 1.100 363 V CB -0.496 31.249 31.823 -0.129 0.000 0.807 363 V HN 0.475 nan 8.190 nan 0.000 0.454 364 G N 0.851 109.712 108.800 0.101 0.000 2.663 364 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.686 364 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.686 364 G C 0.283 175.279 174.900 0.161 0.000 1.246 364 G CA 0.054 45.220 45.100 0.109 0.000 0.795 364 G HN 1.043 nan 8.290 nan 0.000 0.627 365 S N -0.505 115.267 115.700 0.120 0.000 2.428 365 S HA -0.023 4.447 4.470 -0.000 0.000 0.230 365 S C 1.699 176.418 174.600 0.199 0.000 1.014 365 S CA 1.609 59.903 58.200 0.156 0.000 0.957 365 S CB 0.040 63.289 63.200 0.082 0.000 0.784 365 S HN 0.821 nan 8.310 nan 0.000 0.499 366 E N 1.081 121.379 120.200 0.163 0.000 2.072 366 E HA -0.220 4.130 4.350 -0.000 0.000 0.191 366 E C 1.957 178.671 176.600 0.190 0.000 0.985 366 E CA 0.939 57.426 56.400 0.145 0.000 0.801 366 E CB -0.213 29.549 29.700 0.103 0.000 0.750 366 E HN 0.809 nan 8.360 nan 0.000 0.452 367 H N -1.297 117.841 119.070 0.113 0.000 2.267 367 H HA -0.222 4.334 4.556 -0.000 0.000 0.297 367 H C 2.091 177.480 175.328 0.103 0.000 1.080 367 H CA 1.959 58.069 56.048 0.105 0.000 1.278 367 H CB -0.158 29.668 29.762 0.107 0.000 1.365 367 H HN 0.221 nan 8.280 nan 0.000 0.489 368 Y N 1.557 121.974 120.300 0.195 0.000 2.081 368 Y HA -0.286 4.264 4.550 -0.000 0.000 0.280 368 Y C 2.062 178.008 175.900 0.078 0.000 1.163 368 Y CA 2.160 60.309 58.100 0.082 0.000 1.135 368 Y CB -0.319 38.160 38.460 0.032 0.000 0.970 368 Y HN 0.382 nan 8.280 nan 0.000 0.498 369 D N -0.865 119.673 120.400 0.230 0.000 2.218 369 D HA -0.163 4.477 4.640 -0.000 0.000 0.204 369 D C 2.316 178.648 176.300 0.054 0.000 0.976 369 D CA 1.310 55.395 54.000 0.140 0.000 0.853 369 D CB -0.437 40.455 40.800 0.152 0.000 0.939 369 D HN 0.297 nan 8.370 nan 0.000 0.481 370 V N 1.121 121.079 119.914 0.073 0.000 2.283 370 V HA -0.196 3.924 4.120 -0.000 0.000 0.243 370 V C 2.477 178.564 176.094 -0.011 0.000 1.039 370 V CA 1.682 64.017 62.300 0.059 0.000 1.016 370 V CB -0.848 31.035 31.823 0.100 0.000 0.650 370 V HN 0.204 nan 8.190 nan 0.000 0.449 371 A N 0.475 123.276 122.820 -0.031 0.000 1.849 371 A HA -0.256 4.064 4.320 -0.000 0.000 0.217 371 A C 2.300 179.786 177.584 -0.162 0.000 1.202 371 A CA 2.016 53.988 52.037 -0.109 0.000 0.629 371 A CB -0.609 18.316 19.000 -0.125 0.000 0.834 371 A HN 0.421 nan 8.150 nan 0.000 0.447 372 R N -0.537 119.822 120.500 -0.235 0.000 2.127 372 R HA -0.133 4.207 4.340 -0.000 0.000 0.238 372 R C 2.294 178.537 176.300 -0.094 0.000 1.134 372 R CA 1.335 57.315 56.100 -0.199 0.000 0.975 372 R CB -1.628 28.520 30.300 -0.253 0.000 0.865 372 R HN 0.581 nan 8.270 nan 0.000 0.447 373 G N 0.381 109.145 108.800 -0.059 0.000 2.418 373 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.217 373 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.217 373 G C 1.581 176.463 174.900 -0.030 0.000 1.158 373 G CA 0.638 45.726 45.100 -0.020 0.000 0.771 373 G HN 0.183 nan 8.290 nan 0.000 0.545 374 V N 0.434 120.310 119.914 -0.065 0.000 2.407 374 V HA -0.213 3.907 4.120 -0.000 0.000 0.248 374 V C 2.889 178.931 176.094 -0.086 0.000 1.055 374 V CA 2.105 64.345 62.300 -0.100 0.000 1.049 374 V CB -0.401 31.278 31.823 -0.240 0.000 0.662 374 V HN 0.434 nan 8.190 nan 0.000 0.455 375 Q N -0.388 119.359 119.800 -0.088 0.000 2.123 375 Q HA -0.205 4.135 4.340 -0.000 0.000 0.199 375 Q C 2.334 178.313 176.000 -0.035 0.000 0.966 375 Q CA 1.443 57.206 55.803 -0.067 0.000 0.845 375 Q CB -0.160 28.529 28.738 -0.082 0.000 0.907 375 Q HN 0.586 nan 8.270 nan 0.000 0.439 376 K N 1.245 121.627 120.400 -0.030 0.000 2.009 376 K HA -0.183 4.137 4.320 -0.000 0.000 0.210 376 K C 1.997 178.602 176.600 0.008 0.000 1.049 376 K CA 1.259 57.540 56.287 -0.010 0.000 0.929 376 K CB -0.224 32.273 32.500 -0.005 0.000 0.714 376 K HN 0.166 nan 8.250 nan 0.000 0.440 377 I N 1.003 121.578 120.570 0.009 0.000 2.264 377 I HA -0.278 3.892 4.170 -0.000 0.000 0.248 377 I C 1.804 177.959 176.117 0.062 0.000 1.111 377 I CA 1.140 62.456 61.300 0.025 0.000 1.382 377 I CB 0.087 38.092 38.000 0.008 0.000 1.060 377 I HN 0.252 nan 8.210 nan 0.000 0.418 378 L N -0.080 121.173 121.223 0.050 0.000 2.109 378 L HA -0.201 4.139 4.340 -0.000 0.000 0.207 378 L C 2.544 179.476 176.870 0.102 0.000 1.086 378 L CA 0.950 55.850 54.840 0.099 0.000 0.760 378 L CB -0.645 41.442 42.059 0.048 0.000 0.910 378 L HN 0.303 nan 8.230 nan 0.000 0.437 379 Q N 0.479 120.305 119.800 0.043 0.000 2.046 379 Q HA -0.197 4.143 4.340 -0.000 0.000 0.200 379 Q C 1.768 177.783 176.000 0.025 0.000 0.975 379 Q CA 1.744 57.557 55.803 0.016 0.000 0.836 379 Q CB -0.161 28.575 28.738 -0.003 0.000 0.896 379 Q HN 0.329 nan 8.270 nan 0.000 0.428 380 D N -0.786 119.640 120.400 0.044 0.000 2.149 380 D HA -0.204 4.436 4.640 -0.000 0.000 0.194 380 D C 1.631 177.984 176.300 0.089 0.000 1.001 380 D CA 1.432 55.463 54.000 0.052 0.000 0.849 380 D CB -0.392 40.440 40.800 0.052 0.000 0.939 380 D HN 0.389 nan 8.370 nan 0.000 0.449 381 Y N 1.385 121.673 120.300 -0.020 0.000 2.263 381 Y HA -0.067 4.483 4.550 -0.000 0.000 0.292 381 Y C 2.200 178.087 175.900 -0.021 0.000 1.130 381 Y CA 1.257 59.345 58.100 -0.020 0.000 1.179 381 Y CB -0.106 38.341 38.460 -0.022 0.000 0.998 381 Y HN -0.196 nan 8.280 nan 0.000 0.532 382 K N -0.229 120.070 120.400 -0.169 0.000 2.009 382 K HA -0.185 4.135 4.320 -0.000 0.000 0.210 382 K C 2.319 178.785 176.600 -0.224 0.000 1.049 382 K CA 1.906 58.035 56.287 -0.263 0.000 0.929 382 K CB -0.323 32.106 32.500 -0.118 0.000 0.714 382 K HN 0.278 nan 8.250 nan 0.000 0.440 383 S N 1.020 116.646 115.700 -0.122 0.000 2.372 383 S HA -0.179 4.291 4.470 -0.000 0.000 0.227 383 S C 1.836 176.378 174.600 -0.097 0.000 1.044 383 S CA 1.500 59.648 58.200 -0.087 0.000 1.050 383 S CB -0.265 62.907 63.200 -0.045 0.000 0.901 383 S HN 0.243 nan 8.310 nan 0.000 0.447 384 L N 1.099 122.261 121.223 -0.101 0.000 2.156 384 L HA -0.104 4.236 4.340 -0.000 0.000 0.208 384 L C 2.583 179.373 176.870 -0.134 0.000 1.095 384 L CA 0.771 55.564 54.840 -0.078 0.000 0.770 384 L CB -0.546 41.512 42.059 -0.002 0.000 0.914 384 L HN 0.326 nan 8.230 nan 0.000 0.439 385 Q N 0.225 119.850 119.800 -0.291 0.000 2.028 385 Q HA -0.313 4.027 4.340 -0.000 0.000 0.213 385 Q C 1.719 177.630 176.000 -0.148 0.000 1.017 385 Q CA 2.273 57.892 55.803 -0.306 0.000 0.875 385 Q CB -0.371 28.113 28.738 -0.422 0.000 0.962 385 Q HN 0.480 nan 8.270 nan 0.000 0.413 386 D N -0.196 120.127 120.400 -0.130 0.000 2.263 386 D HA -0.098 4.542 4.640 -0.000 0.000 0.208 386 D C 1.768 178.034 176.300 -0.057 0.000 0.971 386 D CA 0.989 54.940 54.000 -0.082 0.000 0.867 386 D CB -0.040 40.715 40.800 -0.075 0.000 0.929 386 D HN 0.336 nan 8.370 nan 0.000 0.492 387 I N 0.877 121.414 120.570 -0.055 0.000 2.429 387 I HA -0.066 4.104 4.170 -0.000 0.000 0.247 387 I C 2.442 178.545 176.117 -0.023 0.000 1.099 387 I CA 0.303 61.583 61.300 -0.034 0.000 1.422 387 I CB -0.142 37.840 38.000 -0.030 0.000 1.112 387 I HN -0.077 nan 8.210 nan 0.000 0.430 388 I N 0.287 120.846 120.570 -0.018 0.000 2.916 388 I HA -0.106 4.064 4.170 -0.000 0.000 0.267 388 I C 2.421 178.536 176.117 -0.004 0.000 1.263 388 I CA 1.071 62.370 61.300 -0.002 0.000 1.471 388 I CB -0.291 37.719 38.000 0.016 0.000 1.089 388 I HN 0.097 nan 8.210 nan 0.000 0.468 389 A N 2.226 125.036 122.820 -0.016 0.000 1.865 389 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 389 A C 2.155 179.733 177.584 -0.010 0.000 1.191 389 A CA 2.322 54.350 52.037 -0.015 0.000 0.623 389 A CB -0.723 18.260 19.000 -0.028 0.000 0.826 389 A HN 0.564 nan 8.150 nan 0.000 0.444 390 I N -0.935 119.627 120.570 -0.013 0.000 2.368 390 I HA -0.038 4.132 4.170 -0.000 0.000 0.238 390 I C 1.932 178.045 176.117 -0.006 0.000 1.076 390 I CA 0.579 61.873 61.300 -0.010 0.000 1.397 390 I CB -0.278 37.714 38.000 -0.013 0.000 1.141 390 I HN 0.163 nan 8.210 nan 0.000 0.430 391 L N 0.995 122.214 121.223 -0.007 0.000 2.633 391 L HA 0.094 4.434 4.340 -0.000 0.000 0.235 391 L C 1.204 178.074 176.870 -0.000 0.000 1.163 391 L CA 0.318 55.156 54.840 -0.004 0.000 0.859 391 L CB -1.626 40.430 42.059 -0.004 0.000 0.973 391 L HN 0.533 nan 8.230 nan 0.000 0.451 392 G N 0.015 108.816 108.800 0.001 0.000 2.752 392 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.234 392 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.234 392 G C 0.153 175.059 174.900 0.009 0.000 1.367 392 G CA 0.280 45.384 45.100 0.005 0.000 0.879 392 G HN 0.133 nan 8.290 nan 0.000 0.563 393 M N -1.055 118.552 119.600 0.012 0.000 2.514 393 M HA 0.159 4.639 4.480 -0.000 0.000 0.258 393 M C 1.940 178.248 176.300 0.013 0.000 1.159 393 M CA 1.209 56.519 55.300 0.016 0.000 1.116 393 M CB -0.022 32.589 32.600 0.019 0.000 1.333 393 M HN 0.679 nan 8.290 nan 0.000 0.487 394 D N 0.900 121.305 120.400 0.010 0.000 2.106 394 D HA -0.229 4.411 4.640 -0.000 0.000 0.191 394 D C 1.523 177.828 176.300 0.008 0.000 0.997 394 D CA 1.479 55.483 54.000 0.008 0.000 0.834 394 D CB 0.050 40.853 40.800 0.006 0.000 0.956 394 D HN 0.212 nan 8.370 nan 0.000 0.448 395 E N -0.203 120.001 120.200 0.007 0.000 2.455 395 E HA -0.062 4.288 4.350 -0.000 0.000 0.202 395 E C 0.462 177.066 176.600 0.007 0.000 1.045 395 E CA -0.011 56.392 56.400 0.006 0.000 0.872 395 E CB -0.208 29.495 29.700 0.004 0.000 0.792 395 E HN 0.443 nan 8.360 nan 0.000 0.542 396 L N 1.984 123.213 121.223 0.010 0.000 2.380 396 L HA 0.032 4.372 4.340 -0.000 0.000 0.273 396 L C 0.421 177.298 176.870 0.011 0.000 1.138 396 L CA -0.274 54.573 54.840 0.012 0.000 0.832 396 L CB 0.744 42.814 42.059 0.018 0.000 1.124 396 L HN -0.026 nan 8.230 nan 0.000 0.454 397 S N 2.281 117.987 115.700 0.010 0.000 2.549 397 S HA 0.054 4.524 4.470 -0.000 0.000 0.283 397 S C 0.945 175.550 174.600 0.009 0.000 1.320 397 S CA -0.909 57.296 58.200 0.009 0.000 1.058 397 S CB 1.097 64.302 63.200 0.008 0.000 0.882 397 S HN 0.556 nan 8.310 nan 0.000 0.498 398 E N 2.021 122.225 120.200 0.008 0.000 2.187 398 E HA -0.231 4.119 4.350 -0.000 0.000 0.199 398 E C 1.577 178.180 176.600 0.006 0.000 1.004 398 E CA 1.281 57.685 56.400 0.007 0.000 0.813 398 E CB -0.257 29.447 29.700 0.006 0.000 0.736 398 E HN 0.749 nan 8.360 nan 0.000 0.468 399 E N 0.654 120.858 120.200 0.007 0.000 2.051 399 E HA -0.171 4.179 4.350 -0.000 0.000 0.192 399 E C 1.467 178.073 176.600 0.009 0.000 0.991 399 E CA 1.217 57.621 56.400 0.007 0.000 0.799 399 E CB -0.155 29.549 29.700 0.008 0.000 0.748 399 E HN 0.315 nan 8.360 nan 0.000 0.449 400 D N -0.200 120.208 120.400 0.013 0.000 2.323 400 D HA -0.059 4.581 4.640 -0.000 0.000 0.209 400 D C 1.414 177.727 176.300 0.022 0.000 0.973 400 D CA 0.597 54.609 54.000 0.019 0.000 0.874 400 D CB 0.232 41.044 40.800 0.021 0.000 0.930 400 D HN 0.137 nan 8.370 nan 0.000 0.521 401 K N -0.108 120.301 120.400 0.014 0.000 2.374 401 K HA 0.100 4.420 4.320 -0.000 0.000 0.196 401 K C 1.269 177.866 176.600 -0.005 0.000 1.023 401 K CA 0.056 56.350 56.287 0.011 0.000 1.103 401 K CB 0.508 33.016 32.500 0.012 0.000 0.848 401 K HN 0.110 nan 8.250 nan 0.000 0.528 402 L N 2.047 123.266 121.223 -0.008 0.000 2.357 402 L HA 0.012 4.352 4.340 -0.000 0.000 0.211 402 L C 2.308 179.156 176.870 -0.037 0.000 1.075 402 L CA 1.383 56.211 54.840 -0.020 0.000 0.830 402 L CB 0.043 42.096 42.059 -0.009 0.000 0.996 402 L HN 0.320 nan 8.230 nan 0.000 0.467 403 T N -3.935 110.606 114.554 -0.022 0.000 2.985 403 T HA -0.060 4.290 4.350 -0.000 0.000 0.266 403 T C 1.752 176.407 174.700 -0.075 0.000 1.076 403 T CA 1.252 63.333 62.100 -0.031 0.000 1.135 403 T CB -0.578 68.295 68.868 0.007 0.000 0.890 403 T HN 0.072 nan 8.240 nan 0.000 0.480 404 V N 1.390 121.274 119.914 -0.051 0.000 2.358 404 V HA -0.117 4.003 4.120 -0.000 0.000 0.246 404 V C 3.039 178.988 176.094 -0.240 0.000 1.047 404 V CA 1.795 64.028 62.300 -0.111 0.000 1.035 404 V CB -1.039 30.794 31.823 0.018 0.000 0.658 404 V HN 0.499 nan 8.190 nan 0.000 0.452 405 S N -0.172 115.441 115.700 -0.144 0.000 2.404 405 S HA -0.205 4.265 4.470 -0.000 0.000 0.216 405 S C 2.114 176.587 174.600 -0.211 0.000 1.039 405 S CA 1.702 59.812 58.200 -0.150 0.000 1.062 405 S CB -0.321 62.824 63.200 -0.091 0.000 1.046 405 S HN 0.505 nan 8.310 nan 0.000 0.415 406 R N 1.100 121.498 120.500 -0.171 0.000 2.133 406 R HA -0.177 4.163 4.340 -0.000 0.000 0.247 406 R C 2.423 178.598 176.300 -0.207 0.000 1.151 406 R CA 1.379 57.371 56.100 -0.180 0.000 0.971 406 R CB -0.718 29.522 30.300 -0.099 0.000 0.866 406 R HN 0.444 nan 8.270 nan 0.000 0.447 407 A N 1.787 124.460 122.820 -0.246 0.000 1.845 407 A HA -0.189 4.131 4.320 -0.000 0.000 0.215 407 A C 2.180 179.545 177.584 -0.364 0.000 1.195 407 A CA 1.384 53.239 52.037 -0.303 0.000 0.616 407 A CB -0.482 18.237 19.000 -0.469 0.000 0.832 407 A HN 0.272 nan 8.150 nan 0.000 0.443 408 R N 0.050 120.247 120.500 -0.505 0.000 2.139 408 R HA -0.170 4.170 4.340 -0.000 0.000 0.243 408 R C 2.118 178.284 176.300 -0.222 0.000 1.145 408 R CA 1.691 57.581 56.100 -0.351 0.000 0.976 408 R CB -0.376 29.746 30.300 -0.296 0.000 0.866 408 R HN 0.575 nan 8.270 nan 0.000 0.449 409 K N 0.536 120.751 120.400 -0.309 0.000 2.031 409 K HA -0.021 4.299 4.320 -0.000 0.000 0.205 409 K C 2.179 178.616 176.600 -0.272 0.000 1.049 409 K CA 1.062 57.052 56.287 -0.496 0.000 0.939 409 K CB -0.100 31.825 32.500 -0.959 0.000 0.717 409 K HN 0.135 nan 8.250 nan 0.000 0.438 410 I N 1.571 122.076 120.570 -0.108 0.000 2.208 410 I HA -0.308 3.862 4.170 -0.000 0.000 0.245 410 I C 2.648 178.916 176.117 0.251 0.000 1.097 410 I CA 1.438 62.867 61.300 0.215 0.000 1.363 410 I CB -0.508 37.597 38.000 0.176 0.000 1.051 410 I HN 0.322 nan 8.210 nan 0.000 0.413 411 Q N 0.676 120.530 119.800 0.090 0.000 2.197 411 Q HA -0.234 4.106 4.340 -0.000 0.000 0.207 411 Q C 2.335 178.418 176.000 0.138 0.000 0.984 411 Q CA 1.758 57.613 55.803 0.085 0.000 0.869 411 Q CB 0.089 28.844 28.738 0.029 0.000 0.906 411 Q HN 0.461 nan 8.270 nan 0.000 0.426 412 R N -1.267 119.334 120.500 0.170 0.000 2.066 412 R HA -0.034 4.306 4.340 -0.000 0.000 0.224 412 R C 1.962 178.449 176.300 0.312 0.000 1.122 412 R CA 0.837 57.095 56.100 0.264 0.000 0.974 412 R CB -0.330 30.147 30.300 0.295 0.000 0.871 412 R HN 0.187 nan 8.270 nan 0.000 0.435 413 F N 1.719 121.786 119.950 0.195 0.000 2.373 413 F HA -0.088 4.439 4.527 -0.000 0.000 0.300 413 F C 1.594 177.539 175.800 0.242 0.000 1.080 413 F CA 1.068 59.148 58.000 0.133 0.000 1.417 413 F CB -0.007 38.939 39.000 -0.090 0.000 1.070 413 F HN -0.048 nan 8.300 nan 0.000 0.546 414 L N -0.749 120.654 121.223 0.300 0.000 2.341 414 L HA -0.021 4.319 4.340 -0.000 0.000 0.214 414 L C 1.431 178.317 176.870 0.026 0.000 1.115 414 L CA 0.242 55.203 54.840 0.203 0.000 0.820 414 L CB -0.627 41.527 42.059 0.158 0.000 0.944 414 L HN 0.029 nan 8.230 nan 0.000 0.452 415 S N -0.310 115.399 115.700 0.016 0.000 2.600 415 S HA 0.310 4.780 4.470 -0.000 0.000 0.265 415 S C -0.279 174.235 174.600 -0.142 0.000 1.325 415 S CA -0.523 57.640 58.200 -0.062 0.000 1.002 415 S CB 1.631 64.803 63.200 -0.046 0.000 0.921 415 S HN 0.262 nan 8.310 nan 0.000 0.554 416 Q N 0.145 119.837 119.800 -0.180 0.000 2.403 416 Q HA 0.332 4.672 4.340 -0.000 0.000 0.267 416 Q C -3.196 172.705 176.000 -0.164 0.000 0.991 416 Q CA -1.863 53.850 55.803 -0.149 0.000 0.906 416 Q CB 2.178 30.892 28.738 -0.040 0.000 1.422 416 Q HN 0.449 nan 8.270 nan 0.000 0.400 417 P HA 0.170 nan 4.420 nan 0.000 0.276 417 P C -0.901 176.506 177.300 0.180 0.000 1.264 417 P CA -0.003 63.078 63.100 -0.032 0.000 0.769 417 P CB 0.048 31.731 31.700 -0.029 0.000 0.840 418 F N 1.934 121.887 119.950 0.005 0.000 2.382 418 F HA 0.195 4.722 4.527 -0.000 0.000 0.331 418 F C 2.058 177.864 175.800 0.011 0.000 1.121 418 F CA -0.745 57.265 58.000 0.017 0.000 1.183 418 F CB 0.603 39.628 39.000 0.042 0.000 1.207 418 F HN 0.371 nan 8.300 nan 0.000 0.555 419 Q N 0.717 120.609 119.800 0.152 0.000 2.435 419 Q HA 0.035 4.375 4.340 -0.000 0.000 0.207 419 Q C 0.677 176.698 176.000 0.035 0.000 0.956 419 Q CA 0.672 56.508 55.803 0.056 0.000 0.917 419 Q CB 0.195 28.931 28.738 -0.003 0.000 0.997 419 Q HN 0.508 nan 8.270 nan 0.000 0.497 420 V N -0.218 119.742 119.914 0.076 0.000 3.578 420 V HA 0.298 4.418 4.120 -0.000 0.000 0.290 420 V C 0.599 176.743 176.094 0.084 0.000 1.376 420 V CA 0.789 63.124 62.300 0.058 0.000 1.083 420 V CB 0.935 32.792 31.823 0.057 0.000 0.911 420 V HN 0.337 nan 8.190 nan 0.000 0.433 421 A N -0.854 122.038 122.820 0.120 0.000 2.616 421 A HA 0.355 4.675 4.320 -0.000 0.000 0.294 421 A C 1.283 178.842 177.584 -0.041 0.000 1.091 421 A CA -0.193 51.916 52.037 0.119 0.000 0.971 421 A CB 0.041 19.260 19.000 0.365 0.000 1.222 421 A HN 0.414 nan 8.150 nan 0.000 0.521 422 E N -0.105 120.038 120.200 -0.095 0.000 2.150 422 E HA -0.134 4.216 4.350 -0.000 0.000 0.193 422 E C 1.749 178.251 176.600 -0.164 0.000 0.985 422 E CA 1.495 57.855 56.400 -0.068 0.000 0.814 422 E CB -0.160 29.508 29.700 -0.054 0.000 0.752 422 E HN 0.556 nan 8.360 nan 0.000 0.466 423 V N -0.238 119.448 119.914 -0.378 0.000 2.867 423 V HA -0.213 3.907 4.120 -0.000 0.000 0.260 423 V C 1.580 177.425 176.094 -0.414 0.000 1.099 423 V CA 1.399 63.426 62.300 -0.454 0.000 1.122 423 V CB -0.732 30.679 31.823 -0.687 0.000 0.708 423 V HN 0.107 nan 8.190 nan 0.000 0.490 424 F N 1.672 121.614 119.950 -0.014 0.000 2.343 424 F HA 0.084 4.611 4.527 -0.000 0.000 0.286 424 F C 2.740 178.538 175.800 -0.004 0.000 1.057 424 F CA 1.186 59.164 58.000 -0.038 0.000 1.365 424 F CB -1.438 37.490 39.000 -0.121 0.000 1.114 424 F HN 0.220 nan 8.300 nan 0.000 0.545 425 T N -2.944 111.723 114.554 0.189 0.000 3.043 425 T HA 0.292 4.642 4.350 -0.000 0.000 0.263 425 T C 1.769 176.647 174.700 0.297 0.000 1.094 425 T CA 0.667 62.895 62.100 0.214 0.000 1.127 425 T CB -0.501 68.459 68.868 0.154 0.000 0.905 425 T HN 0.500 nan 8.240 nan 0.000 0.490 426 G N 1.339 110.221 108.800 0.136 0.000 2.198 426 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.257 426 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.257 426 G C -0.297 174.540 174.900 -0.106 0.000 1.042 426 G CA 0.263 45.371 45.100 0.013 0.000 0.791 426 G HN 0.845 nan 8.290 nan 0.000 0.502 427 H N -2.014 117.048 119.070 -0.014 0.000 2.851 427 H HA 0.603 5.159 4.556 -0.000 0.000 0.372 427 H C -0.088 175.231 175.328 -0.014 0.000 1.158 427 H CA -0.943 55.094 56.048 -0.018 0.000 1.159 427 H CB 1.459 31.201 29.762 -0.032 0.000 1.757 427 H HN 0.203 nan 8.280 nan 0.000 0.546 428 L N 1.826 123.110 121.223 0.101 0.000 2.455 428 L HA 0.313 4.653 4.340 -0.000 0.000 0.272 428 L C 0.904 177.817 176.870 0.071 0.000 1.174 428 L CA 0.379 55.253 54.840 0.056 0.000 0.869 428 L CB 0.392 42.468 42.059 0.029 0.000 1.130 428 L HN 0.880 nan 8.230 nan 0.000 0.474 429 G N 4.351 113.187 108.800 0.060 0.000 2.365 429 G HA2 0.224 4.184 3.960 -0.000 0.000 0.249 429 G HA3 0.224 4.184 3.960 -0.000 0.000 0.249 429 G C -0.445 174.488 174.900 0.055 0.000 1.288 429 G CA -0.518 44.628 45.100 0.078 0.000 0.887 429 G HN 0.441 nan 8.290 nan 0.000 0.524 430 K N 1.048 121.486 120.400 0.064 0.000 2.207 430 K HA 0.428 4.748 4.320 -0.000 0.000 0.255 430 K C -0.795 175.829 176.600 0.040 0.000 0.941 430 K CA -0.937 55.372 56.287 0.038 0.000 0.825 430 K CB 2.384 34.896 32.500 0.021 0.000 1.119 430 K HN 0.382 nan 8.250 nan 0.000 0.430 431 L N 1.750 122.983 121.223 0.016 0.000 2.322 431 L HA 0.529 4.869 4.340 -0.000 0.000 0.281 431 L C -1.115 175.758 176.870 0.006 0.000 1.014 431 L CA -0.613 54.230 54.840 0.006 0.000 0.815 431 L CB 1.781 43.832 42.059 -0.013 0.000 1.247 431 L HN 0.258 nan 8.230 nan 0.000 0.421 432 V N 5.840 125.757 119.914 0.005 0.000 2.495 432 V HA 0.620 4.740 4.120 -0.000 0.000 0.298 432 V C -2.093 174.006 176.094 0.009 0.000 1.031 432 V CA -1.345 60.958 62.300 0.005 0.000 0.871 432 V CB 1.611 33.430 31.823 -0.007 0.000 0.988 432 V HN 0.803 nan 8.190 nan 0.000 0.432 433 P HA 0.171 nan 4.420 nan 0.000 0.278 433 P C 0.747 178.056 177.300 0.016 0.000 1.238 433 P CA -0.422 62.686 63.100 0.015 0.000 0.794 433 P CB 1.117 32.826 31.700 0.016 0.000 0.955 434 L N 3.364 124.592 121.223 0.009 0.000 2.034 434 L HA -0.241 4.099 4.340 -0.000 0.000 0.217 434 L C 1.998 178.856 176.870 -0.019 0.000 1.077 434 L CA 2.147 56.980 54.840 -0.011 0.000 0.769 434 L CB -1.116 40.937 42.059 -0.010 0.000 0.890 434 L HN 0.366 nan 8.230 nan 0.000 0.435 435 K N -1.189 119.211 120.400 0.001 0.000 2.217 435 K HA -0.086 4.234 4.320 -0.000 0.000 0.202 435 K C 1.843 178.466 176.600 0.038 0.000 1.051 435 K CA 0.798 57.092 56.287 0.011 0.000 0.952 435 K CB -0.049 32.461 32.500 0.017 0.000 0.736 435 K HN 0.292 nan 8.250 nan 0.000 0.453 436 E N 0.438 120.664 120.200 0.044 0.000 2.150 436 E HA -0.093 4.257 4.350 -0.000 0.000 0.193 436 E C 1.890 178.556 176.600 0.111 0.000 0.985 436 E CA 1.085 57.525 56.400 0.066 0.000 0.814 436 E CB -0.233 29.500 29.700 0.055 0.000 0.752 436 E HN 0.209 nan 8.360 nan 0.000 0.466 437 T N 1.619 116.238 114.554 0.107 0.000 2.639 437 T HA -0.056 4.294 4.350 -0.000 0.000 0.261 437 T C 2.142 177.006 174.700 0.273 0.000 1.053 437 T CA 1.067 63.282 62.100 0.192 0.000 1.158 437 T CB -0.310 68.644 68.868 0.144 0.000 0.863 437 T HN 0.088 nan 8.240 nan 0.000 0.413 438 I N 1.440 122.091 120.570 0.134 0.000 2.113 438 I HA -0.301 3.869 4.170 -0.000 0.000 0.242 438 I C 2.642 178.857 176.117 0.164 0.000 1.064 438 I CA 1.735 63.103 61.300 0.114 0.000 1.320 438 I CB -0.504 37.483 38.000 -0.022 0.000 1.028 438 I HN 0.268 nan 8.210 nan 0.000 0.406 439 K N 1.444 121.915 120.400 0.118 0.000 2.009 439 K HA -0.179 4.141 4.320 -0.000 0.000 0.210 439 K C 2.198 178.862 176.600 0.107 0.000 1.049 439 K CA 1.917 58.264 56.287 0.102 0.000 0.929 439 K CB -0.620 31.924 32.500 0.073 0.000 0.714 439 K HN 0.366 nan 8.250 nan 0.000 0.440 440 G N 0.512 109.368 108.800 0.092 0.000 2.476 440 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.218 440 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.218 440 G C 1.267 176.086 174.900 -0.135 0.000 1.164 440 G CA 0.939 45.990 45.100 -0.082 0.000 0.768 440 G HN 0.300 nan 8.290 nan 0.000 0.560 441 F N 0.456 120.517 119.950 0.186 0.000 2.113 441 F HA 0.018 4.545 4.527 -0.000 0.000 0.297 441 F C 2.914 178.767 175.800 0.089 0.000 1.103 441 F CA 1.451 59.544 58.000 0.154 0.000 1.248 441 F CB -0.721 38.388 39.000 0.181 0.000 0.999 441 F HN 0.160 nan 8.300 nan 0.000 0.475 442 Q N 0.172 120.123 119.800 0.253 0.000 2.133 442 Q HA -0.311 4.028 4.340 -0.000 0.000 0.208 442 Q C 2.128 178.200 176.000 0.120 0.000 0.991 442 Q CA 2.328 58.226 55.803 0.157 0.000 0.867 442 Q CB -0.142 28.669 28.738 0.122 0.000 0.911 442 Q HN 0.514 nan 8.270 nan 0.000 0.417 443 Q N -0.342 119.531 119.800 0.122 0.000 2.049 443 Q HA -0.111 4.229 4.340 -0.000 0.000 0.198 443 Q C 2.173 178.257 176.000 0.140 0.000 0.971 443 Q CA 1.499 57.374 55.803 0.120 0.000 0.833 443 Q CB -0.070 28.805 28.738 0.228 0.000 0.896 443 Q HN 0.485 nan 8.270 nan 0.000 0.434 444 I N 0.730 121.399 120.570 0.166 0.000 2.208 444 I HA -0.302 3.868 4.170 -0.000 0.000 0.245 444 I C 2.235 178.401 176.117 0.081 0.000 1.097 444 I CA 1.148 62.529 61.300 0.135 0.000 1.363 444 I CB -0.393 37.623 38.000 0.027 0.000 1.051 444 I HN 0.234 nan 8.210 nan 0.000 0.413 445 L N 0.702 121.986 121.223 0.103 0.000 2.191 445 L HA -0.166 4.174 4.340 -0.000 0.000 0.212 445 L C 2.586 179.482 176.870 0.044 0.000 1.103 445 L CA 1.081 55.965 54.840 0.074 0.000 0.769 445 L CB -0.414 41.702 42.059 0.095 0.000 0.908 445 L HN 0.270 nan 8.230 nan 0.000 0.438 446 A N -0.967 121.878 122.820 0.042 0.000 2.238 446 A HA 0.215 4.535 4.320 -0.000 0.000 0.208 446 A C 1.768 179.348 177.584 -0.007 0.000 1.177 446 A CA 0.820 52.866 52.037 0.015 0.000 0.804 446 A CB -0.339 18.665 19.000 0.007 0.000 0.823 446 A HN 0.533 nan 8.150 nan 0.000 0.482 447 G N -0.534 108.263 108.800 -0.004 0.000 2.179 447 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.260 447 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.260 447 G C 0.445 175.316 174.900 -0.048 0.000 0.977 447 G CA 0.503 45.595 45.100 -0.013 0.000 0.641 447 G HN 0.605 nan 8.290 nan 0.000 0.533 448 E N -0.797 119.327 120.200 -0.128 0.000 2.533 448 E HA 0.093 4.443 4.350 -0.000 0.000 0.201 448 E C 0.433 176.631 176.600 -0.670 0.000 1.097 448 E CA 0.631 56.819 56.400 -0.353 0.000 0.887 448 E CB -0.105 29.313 29.700 -0.470 0.000 0.855 448 E HN 0.757 nan 8.360 nan 0.000 0.540 449 Y N -1.706 118.605 120.300 0.019 0.000 2.954 449 Y HA 0.083 4.633 4.550 -0.000 0.000 0.267 449 Y C 0.653 176.475 175.900 -0.130 0.000 1.093 449 Y CA -0.786 57.242 58.100 -0.120 0.000 1.257 449 Y CB 0.453 38.937 38.460 0.038 0.000 1.317 449 Y HN -0.067 nan 8.280 nan 0.000 0.587 450 D N 0.481 120.920 120.400 0.064 0.000 2.389 450 D HA -0.152 4.488 4.640 -0.000 0.000 0.221 450 D C 1.864 178.218 176.300 0.091 0.000 0.974 450 D CA 1.371 55.406 54.000 0.058 0.000 0.923 450 D CB 0.077 40.908 40.800 0.052 0.000 0.892 450 D HN 0.653 nan 8.370 nan 0.000 0.518 451 H N -0.274 118.862 119.070 0.110 0.000 2.418 451 H HA 0.056 4.612 4.556 -0.000 0.000 0.300 451 H C 1.255 176.659 175.328 0.126 0.000 1.041 451 H CA -0.119 55.984 56.048 0.092 0.000 1.364 451 H CB -0.661 29.137 29.762 0.060 0.000 1.439 451 H HN 0.020 nan 8.280 nan 0.000 0.540 452 L N 2.117 123.180 121.223 -0.267 0.000 2.499 452 L HA 0.255 4.595 4.340 -0.000 0.000 0.281 452 L C -2.300 174.658 176.870 0.147 0.000 1.234 452 L CA -1.959 52.857 54.840 -0.040 0.000 0.839 452 L CB -0.455 41.498 42.059 -0.176 0.000 1.104 452 L HN 0.048 nan 8.230 nan 0.000 0.500 453 P HA 0.193 nan 4.420 nan 0.000 0.281 453 P C -0.120 177.357 177.300 0.295 0.000 1.249 453 P CA -0.549 62.642 63.100 0.152 0.000 0.810 453 P CB 1.028 32.781 31.700 0.088 0.000 1.008 454 E N 0.485 120.813 120.200 0.214 0.000 2.033 454 E HA -0.267 4.083 4.350 -0.000 0.000 0.199 454 E C 1.843 178.650 176.600 0.344 0.000 1.011 454 E CA 1.251 57.797 56.400 0.243 0.000 0.815 454 E CB -0.345 29.390 29.700 0.058 0.000 0.755 454 E HN 0.432 nan 8.360 nan 0.000 0.451 455 Q N 0.013 119.920 119.800 0.179 0.000 2.242 455 Q HA -0.219 4.121 4.340 -0.000 0.000 0.211 455 Q C 2.105 178.213 176.000 0.180 0.000 0.992 455 Q CA 1.615 57.515 55.803 0.161 0.000 0.889 455 Q CB -0.515 28.279 28.738 0.094 0.000 0.913 455 Q HN 0.358 nan 8.270 nan 0.000 0.422 456 A N -0.795 122.086 122.820 0.102 0.000 2.070 456 A HA -0.128 4.192 4.320 -0.000 0.000 0.220 456 A C 1.559 179.030 177.584 -0.188 0.000 1.159 456 A CA 1.005 52.985 52.037 -0.095 0.000 0.656 456 A CB -0.615 18.220 19.000 -0.274 0.000 0.800 456 A HN 0.325 nan 8.150 nan 0.000 0.453 457 F N -2.541 117.432 119.950 0.039 0.000 2.743 457 F HA 0.177 4.704 4.527 -0.000 0.000 0.297 457 F C 0.775 176.682 175.800 0.179 0.000 1.131 457 F CA -0.249 57.801 58.000 0.084 0.000 1.426 457 F CB -0.300 38.732 39.000 0.053 0.000 1.116 457 F HN 0.283 nan 8.300 nan 0.000 0.583 458 Y N 1.593 121.993 120.300 0.167 0.000 2.335 458 Y HA 0.314 4.864 4.550 -0.000 0.000 0.331 458 Y C 0.597 176.500 175.900 0.005 0.000 1.094 458 Y CA -1.777 56.372 58.100 0.082 0.000 1.253 458 Y CB 0.275 38.772 38.460 0.061 0.000 1.203 458 Y HN 0.022 nan 8.280 nan 0.000 0.508 459 M N 6.193 125.449 119.600 -0.573 0.000 2.852 459 M HA -0.158 4.322 4.480 -0.000 0.000 0.176 459 M C -1.133 174.968 176.300 -0.331 0.000 1.160 459 M CA 1.013 55.936 55.300 -0.628 0.000 0.702 459 M CB -2.567 29.381 32.600 -1.087 0.000 1.193 459 M HN 0.497 nan 8.290 nan 0.000 0.775 460 V N -2.352 117.457 119.914 -0.174 0.000 3.181 460 V HA 1.070 5.190 4.120 -0.000 0.000 0.308 460 V C 0.511 176.556 176.094 -0.083 0.000 1.214 460 V CA -0.079 62.174 62.300 -0.080 0.000 1.053 460 V CB 1.821 33.634 31.823 -0.017 0.000 1.069 460 V HN 0.491 nan 8.190 nan 0.000 0.441 461 G N 0.541 109.317 108.800 -0.040 0.000 2.964 461 G HA2 0.494 4.454 3.960 -0.000 0.000 0.191 461 G HA3 0.494 4.454 3.960 -0.000 0.000 0.191 461 G C -2.435 172.454 174.900 -0.019 0.000 1.978 461 G CA -0.431 44.639 45.100 -0.049 0.000 0.861 461 G HN 0.715 nan 8.290 nan 0.000 0.584 462 P HA 0.177 nan 4.420 nan 0.000 0.272 462 P C 0.835 178.229 177.300 0.156 0.000 1.223 462 P CA -0.534 62.633 63.100 0.111 0.000 0.784 462 P CB 1.109 32.840 31.700 0.052 0.000 0.923 463 I N 1.752 122.421 120.570 0.164 0.000 2.300 463 I HA -0.326 3.844 4.170 -0.000 0.000 0.252 463 I C 1.609 177.573 176.117 -0.254 0.000 1.119 463 I CA 1.971 63.144 61.300 -0.211 0.000 1.384 463 I CB -0.285 37.435 38.000 -0.466 0.000 1.062 463 I HN 0.343 nan 8.210 nan 0.000 0.426 464 E N 0.535 120.665 120.200 -0.116 0.000 2.153 464 E HA -0.215 4.135 4.350 -0.000 0.000 0.194 464 E C 2.019 178.549 176.600 -0.117 0.000 0.988 464 E CA 1.457 57.792 56.400 -0.108 0.000 0.811 464 E CB -0.215 29.459 29.700 -0.044 0.000 0.746 464 E HN 0.629 nan 8.360 nan 0.000 0.466 465 E N 0.290 120.438 120.200 -0.086 0.000 2.204 465 E HA -0.112 4.238 4.350 -0.000 0.000 0.194 465 E C 2.002 178.516 176.600 -0.143 0.000 0.989 465 E CA 0.805 57.158 56.400 -0.077 0.000 0.824 465 E CB -0.099 29.582 29.700 -0.032 0.000 0.756 465 E HN 0.272 nan 8.360 nan 0.000 0.477 466 A N 1.273 123.945 122.820 -0.246 0.000 1.930 466 A HA -0.086 4.234 4.320 -0.000 0.000 0.217 466 A C 2.504 179.793 177.584 -0.492 0.000 1.175 466 A CA 0.860 52.619 52.037 -0.464 0.000 0.627 466 A CB -0.447 18.064 19.000 -0.815 0.000 0.815 466 A HN 0.102 nan 8.150 nan 0.000 0.443 467 V N -0.217 119.453 119.914 -0.407 0.000 2.323 467 V HA -0.180 3.940 4.120 -0.000 0.000 0.244 467 V C 3.057 179.065 176.094 -0.143 0.000 1.041 467 V CA 1.767 63.910 62.300 -0.261 0.000 1.025 467 V CB -1.180 30.546 31.823 -0.163 0.000 0.656 467 V HN 0.595 nan 8.190 nan 0.000 0.451 468 A N 0.072 122.823 122.820 -0.115 0.000 1.865 468 A HA -0.305 4.015 4.320 -0.000 0.000 0.217 468 A C 2.320 179.865 177.584 -0.064 0.000 1.191 468 A CA 2.377 54.374 52.037 -0.067 0.000 0.623 468 A CB -0.606 18.365 19.000 -0.049 0.000 0.826 468 A HN 0.512 nan 8.150 nan 0.000 0.444 469 K N -0.289 120.060 120.400 -0.084 0.000 2.218 469 K HA -0.142 4.178 4.320 -0.000 0.000 0.205 469 K C 2.047 178.610 176.600 -0.062 0.000 1.046 469 K CA 1.231 57.481 56.287 -0.062 0.000 0.933 469 K CB -0.339 32.125 32.500 -0.059 0.000 0.728 469 K HN 0.405 nan 8.250 nan 0.000 0.454 470 A N 1.869 124.627 122.820 -0.102 0.000 1.865 470 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 470 A C 1.617 179.190 177.584 -0.019 0.000 1.191 470 A CA 2.096 54.091 52.037 -0.069 0.000 0.623 470 A CB -0.679 18.268 19.000 -0.088 0.000 0.826 470 A HN 0.448 nan 8.150 nan 0.000 0.444 471 D N -0.313 120.077 120.400 -0.016 0.000 2.087 471 D HA -0.197 4.443 4.640 -0.000 0.000 0.192 471 D C 1.829 178.130 176.300 0.001 0.000 0.993 471 D CA 1.710 55.711 54.000 0.000 0.000 0.828 471 D CB -0.544 40.255 40.800 -0.001 0.000 0.968 471 D HN 0.549 nan 8.370 nan 0.000 0.448 472 K N 0.373 120.770 120.400 -0.004 0.000 2.127 472 K HA -0.137 4.183 4.320 -0.000 0.000 0.208 472 K C 2.237 178.842 176.600 0.009 0.000 1.047 472 K CA 0.873 57.161 56.287 0.002 0.000 0.927 472 K CB -0.175 32.325 32.500 0.001 0.000 0.716 472 K HN 0.120 nan 8.250 nan 0.000 0.450 473 L N -0.041 121.188 121.223 0.010 0.000 2.217 473 L HA -0.043 4.296 4.340 -0.000 0.000 0.211 473 L C 2.139 179.021 176.870 0.019 0.000 1.107 473 L CA 0.587 55.438 54.840 0.019 0.000 0.783 473 L CB -0.418 41.655 42.059 0.022 0.000 0.919 473 L HN 0.225 nan 8.230 nan 0.000 0.442 474 A N 0.158 122.988 122.820 0.017 0.000 2.309 474 A HA -0.094 4.226 4.320 -0.000 0.000 0.210 474 A C 0.292 177.887 177.584 0.018 0.000 1.216 474 A CA 1.001 53.050 52.037 0.021 0.000 0.731 474 A CB -0.479 18.534 19.000 0.022 0.000 0.762 474 A HN 0.632 nan 8.150 nan 0.000 0.497 475 E N 0.000 120.210 120.200 0.017 0.000 2.725 475 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 475 E CA 0.000 56.409 56.400 0.015 0.000 0.976 475 E CB 0.000 29.708 29.700 0.014 0.000 0.812 475 E HN 0.000 nan 8.360 nan 0.000 0.440