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 2w6f_1_E 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 KADKLA 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 0.000 174.853 174.700 0.255 0.000 1.109 9 T CA 0.000 62.211 62.100 0.185 0.000 1.349 9 T CB 0.000 68.997 68.868 0.215 0.000 0.612 10 T N 1.870 116.540 114.554 0.193 0.000 2.809 10 T HA 0.723 5.070 4.350 -0.005 0.000 0.296 10 T C 0.644 175.261 174.700 -0.138 0.000 1.015 10 T CA -0.570 61.566 62.100 0.060 0.000 0.954 10 T CB 1.312 70.189 68.868 0.015 0.000 0.950 10 T HN 1.066 nan 8.240 nan 0.000 0.450 11 G N 2.251 110.743 108.800 -0.513 0.000 2.521 11 G HA2 0.722 4.679 3.960 -0.005 0.000 0.323 11 G HA3 0.722 4.679 3.960 -0.005 0.000 0.323 11 G C -0.567 174.042 174.900 -0.487 0.000 1.211 11 G CA -0.920 43.583 45.100 -0.995 0.000 0.979 11 G HN 0.565 nan 8.290 nan 0.000 0.490 12 R N -1.118 119.140 120.500 -0.403 0.000 2.828 12 R HA 0.470 4.807 4.340 -0.005 0.000 0.264 12 R C -0.424 175.760 176.300 -0.193 0.000 1.022 12 R CA -0.846 55.121 56.100 -0.222 0.000 1.021 12 R CB 2.088 32.297 30.300 -0.150 0.000 1.163 12 R HN 0.325 nan 8.270 nan 0.000 0.494 13 I N 2.540 123.038 120.570 -0.120 0.000 2.371 13 I HA 0.026 4.193 4.170 -0.005 0.000 0.290 13 I C 1.395 177.473 176.117 -0.065 0.000 1.028 13 I CA -0.094 61.156 61.300 -0.083 0.000 1.345 13 I CB 1.566 39.533 38.000 -0.055 0.000 1.407 13 I HN 0.554 nan 8.210 nan 0.000 0.501 14 V N 3.143 123.025 119.914 -0.053 0.000 3.263 14 V HA 0.508 4.625 4.120 -0.005 0.000 0.248 14 V C 0.658 176.738 176.094 -0.025 0.000 1.145 14 V CA 0.357 62.634 62.300 -0.038 0.000 1.107 14 V CB 0.050 31.853 31.823 -0.033 0.000 0.797 14 V HN 0.722 nan 8.190 nan 0.000 0.467 15 A N -0.487 122.322 122.820 -0.020 0.000 2.589 15 A HA 0.795 5.112 4.320 -0.005 0.000 0.296 15 A C -1.334 176.245 177.584 -0.009 0.000 1.062 15 A CA -0.380 51.649 52.037 -0.012 0.000 0.686 15 A CB 2.183 21.178 19.000 -0.008 0.000 1.282 15 A HN 0.458 nan 8.150 nan 0.000 0.404 16 V N 2.124 122.033 119.914 -0.008 0.000 2.488 16 V HA 0.464 4.581 4.120 -0.005 0.000 0.293 16 V C -0.897 175.194 176.094 -0.003 0.000 1.027 16 V CA 0.041 62.338 62.300 -0.005 0.000 0.862 16 V CB 1.247 33.066 31.823 -0.006 0.000 1.008 16 V HN 0.689 nan 8.190 nan 0.000 0.428 17 I N 4.932 125.501 120.570 -0.001 0.000 2.595 17 I HA 0.632 4.799 4.170 -0.005 0.000 0.275 17 I C 0.971 177.087 176.117 -0.001 0.000 1.092 17 I CA 0.201 61.500 61.300 -0.002 0.000 1.145 17 I CB 1.145 39.144 38.000 -0.001 0.000 1.276 17 I HN 0.866 nan 8.210 nan 0.000 0.497 18 G N 4.388 113.187 108.800 -0.002 0.000 2.531 18 G HA2 -0.277 3.680 3.960 -0.005 0.000 0.274 18 G HA3 -0.277 3.680 3.960 -0.005 0.000 0.274 18 G C 0.517 175.417 174.900 -0.000 0.000 1.159 18 G CA 0.127 45.226 45.100 -0.002 0.000 0.969 18 G HN 0.835 nan 8.290 nan 0.000 0.554 19 A N -0.592 122.228 122.820 0.000 0.000 2.734 19 A HA 0.627 4.944 4.320 -0.005 0.000 0.279 19 A C 0.202 177.790 177.584 0.006 0.000 1.386 19 A CA 0.908 52.947 52.037 0.003 0.000 0.987 19 A CB -0.114 18.887 19.000 0.002 0.000 1.041 19 A HN 1.572 nan 8.150 nan 0.000 0.569 20 V N 0.846 120.764 119.914 0.006 0.000 2.447 20 V HA 0.280 4.397 4.120 -0.005 0.000 0.292 20 V C -0.665 175.435 176.094 0.010 0.000 1.021 20 V CA -0.492 61.814 62.300 0.010 0.000 0.850 20 V CB 1.690 33.518 31.823 0.008 0.000 1.005 20 V HN 0.160 nan 8.190 nan 0.000 0.426 21 V N 3.605 123.528 119.914 0.015 0.000 2.435 21 V HA 0.541 4.658 4.120 -0.005 0.000 0.290 21 V C -0.526 175.579 176.094 0.019 0.000 1.030 21 V CA -0.661 61.646 62.300 0.013 0.000 0.881 21 V CB 1.942 33.773 31.823 0.012 0.000 0.983 21 V HN 0.739 nan 8.190 nan 0.000 0.445 22 D N 2.996 123.401 120.400 0.010 0.000 2.193 22 D HA 0.618 5.255 4.640 -0.005 0.000 0.244 22 D C -0.629 175.671 176.300 -0.001 0.000 1.064 22 D CA -0.063 53.946 54.000 0.015 0.000 0.845 22 D CB 2.192 42.997 40.800 0.009 0.000 1.148 22 D HN 0.290 nan 8.370 nan 0.000 0.464 23 V N 2.297 122.220 119.914 0.016 0.000 2.588 23 V HA 0.335 4.452 4.120 -0.005 0.000 0.304 23 V C -0.250 175.821 176.094 -0.038 0.000 1.042 23 V CA -0.890 61.383 62.300 -0.046 0.000 0.877 23 V CB 1.922 33.731 31.823 -0.024 0.000 0.996 23 V HN 0.405 nan 8.190 nan 0.000 0.425 24 Q N 3.291 123.002 119.800 -0.148 0.000 2.307 24 Q HA 0.586 4.923 4.340 -0.005 0.000 0.262 24 Q C -1.828 174.032 176.000 -0.233 0.000 0.961 24 Q CA -0.477 55.275 55.803 -0.085 0.000 0.882 24 Q CB 1.276 29.976 28.738 -0.063 0.000 1.264 24 Q HN 0.621 nan 8.270 nan 0.000 0.446 25 F N 2.458 122.381 119.950 -0.046 0.000 2.421 25 F HA 0.247 4.776 4.527 0.004 0.000 0.337 25 F C 0.969 176.750 175.800 -0.031 0.000 1.105 25 F CA -0.382 57.596 58.000 -0.037 0.000 1.049 25 F CB 1.489 40.462 39.000 -0.046 0.000 1.139 25 F HN 0.647 nan 8.300 nan 0.000 0.479 26 D N 1.479 121.950 120.400 0.118 0.000 2.146 26 D HA -0.027 4.610 4.640 -0.005 0.000 0.209 26 D C -0.187 176.162 176.300 0.081 0.000 0.973 26 D CA 1.210 55.250 54.000 0.067 0.000 0.860 26 D CB 0.251 41.068 40.800 0.028 0.000 1.015 26 D HN 0.517 nan 8.370 nan 0.000 0.465 27 E N -0.440 119.820 120.200 0.100 0.000 2.187 27 E HA 0.522 4.869 4.350 -0.005 0.000 0.268 27 E C -0.327 176.324 176.600 0.084 0.000 0.896 27 E CA -0.556 55.888 56.400 0.072 0.000 0.766 27 E CB 2.137 31.868 29.700 0.051 0.000 1.142 27 E HN 0.189 nan 8.360 nan 0.000 0.408 28 G N 2.301 111.120 108.800 0.032 0.000 3.273 28 G HA2 -0.196 3.761 3.960 -0.005 0.000 0.325 28 G HA3 -0.196 3.761 3.960 -0.005 0.000 0.325 28 G C -1.064 173.739 174.900 -0.161 0.000 0.960 28 G CA -0.722 44.360 45.100 -0.029 0.000 0.808 28 G HN 0.323 nan 8.290 nan 0.000 0.387 29 L N 5.966 127.060 121.223 -0.216 0.000 2.264 29 L HA 0.619 4.956 4.340 -0.005 0.000 0.289 29 L C -1.388 175.258 176.870 -0.374 0.000 1.044 29 L CA -2.154 52.432 54.840 -0.423 0.000 0.807 29 L CB 0.968 42.864 42.059 -0.272 0.000 1.192 29 L HN 0.412 nan 8.230 nan 0.000 0.425 30 P HA 0.155 nan 4.420 nan 0.000 0.265 30 P C -2.653 174.662 177.300 0.025 0.000 1.193 30 P CA -0.952 61.988 63.100 -0.267 0.000 0.765 30 P CB -0.256 31.267 31.700 -0.295 0.000 0.823 31 P HA 0.143 nan 4.420 nan 0.000 0.273 31 P C 0.269 177.574 177.300 0.009 0.000 1.250 31 P CA -0.177 62.933 63.100 0.016 0.000 0.793 31 P CB 0.661 32.336 31.700 -0.042 0.000 1.011 32 I N 1.404 121.895 120.570 -0.131 0.000 2.618 32 I HA -0.044 4.123 4.170 -0.005 0.000 0.284 32 I C 1.487 177.558 176.117 -0.078 0.000 1.146 32 I CA 0.671 61.915 61.300 -0.094 0.000 1.425 32 I CB -0.293 37.602 38.000 -0.175 0.000 1.383 32 I HN 0.397 nan 8.210 nan 0.000 0.562 33 L N 2.328 123.517 121.223 -0.056 0.000 2.583 33 L HA -0.213 4.124 4.340 -0.005 0.000 0.464 33 L C 0.277 177.176 176.870 0.048 0.000 0.736 33 L CA -0.072 54.728 54.840 -0.066 0.000 2.687 33 L CB -1.325 40.612 42.059 -0.203 0.000 1.013 33 L HN 0.635 nan 8.230 nan 0.000 0.629 34 N N 1.095 119.817 118.700 0.036 0.000 2.381 34 N HA 0.459 5.196 4.740 -0.005 0.000 0.241 34 N C 0.204 175.757 175.510 0.072 0.000 1.279 34 N CA 1.003 54.084 53.050 0.052 0.000 0.896 34 N CB 0.713 39.214 38.487 0.024 0.000 1.118 34 N HN 0.315 nan 8.380 nan 0.000 0.438 35 A N 1.849 124.713 122.820 0.072 0.000 2.292 35 A HA 0.602 4.919 4.320 -0.005 0.000 0.319 35 A C -0.562 177.068 177.584 0.076 0.000 1.206 35 A CA -0.629 51.451 52.037 0.072 0.000 0.835 35 A CB 0.223 19.259 19.000 0.060 0.000 1.164 35 A HN 0.566 nan 8.150 nan 0.000 0.505 36 L N 1.919 123.195 121.223 0.088 0.000 2.334 36 L HA 0.547 4.884 4.340 -0.005 0.000 0.273 36 L C -0.235 176.682 176.870 0.078 0.000 1.013 36 L CA -0.827 54.078 54.840 0.109 0.000 0.816 36 L CB 1.657 43.812 42.059 0.160 0.000 1.278 36 L HN 0.623 nan 8.230 nan 0.000 0.431 37 E N 2.054 122.297 120.200 0.071 0.000 2.166 37 E HA 0.361 4.708 4.350 -0.005 0.000 0.275 37 E C -0.874 175.747 176.600 0.036 0.000 0.941 37 E CA -0.676 55.752 56.400 0.047 0.000 0.784 37 E CB 2.915 32.641 29.700 0.042 0.000 1.115 37 E HN 0.201 nan 8.360 nan 0.000 0.399 38 V N 3.605 123.533 119.914 0.023 0.000 2.530 38 V HA 0.037 4.154 4.120 -0.005 0.000 0.282 38 V C 0.430 176.527 176.094 0.006 0.000 1.048 38 V CA -0.608 61.698 62.300 0.009 0.000 0.997 38 V CB 1.025 32.851 31.823 0.006 0.000 0.987 38 V HN 0.474 nan 8.190 nan 0.000 0.477 39 Q N 2.641 122.440 119.800 -0.001 0.000 2.261 39 Q HA 0.459 4.796 4.340 -0.005 0.000 0.252 39 Q C 0.930 176.928 176.000 -0.003 0.000 0.915 39 Q CA 0.518 56.320 55.803 -0.001 0.000 0.915 39 Q CB 1.300 30.035 28.738 -0.005 0.000 1.204 39 Q HN 1.185 nan 8.270 nan 0.000 0.421 40 G N 2.726 111.526 108.800 -0.000 0.000 2.325 40 G HA2 -0.237 3.720 3.960 -0.005 0.000 0.248 40 G HA3 -0.237 3.720 3.960 -0.005 0.000 0.248 40 G C -0.273 174.626 174.900 -0.001 0.000 1.108 40 G CA -0.301 44.798 45.100 -0.001 0.000 0.881 40 G HN 0.448 nan 8.290 nan 0.000 0.494 41 R N -0.382 120.119 120.500 0.002 0.000 2.538 41 R HA 0.322 4.659 4.340 -0.005 0.000 0.292 41 R C 1.085 177.387 176.300 0.004 0.000 1.008 41 R CA -0.943 55.158 56.100 0.002 0.000 0.896 41 R CB 1.140 31.442 30.300 0.003 0.000 1.187 41 R HN 0.119 nan 8.270 nan 0.000 0.440 42 E N 0.698 120.899 120.200 0.003 0.000 2.217 42 E HA -0.236 4.111 4.350 -0.005 0.000 0.219 42 E C 0.752 177.355 176.600 0.005 0.000 1.070 42 E CA 2.360 58.762 56.400 0.004 0.000 0.889 42 E CB 0.132 29.834 29.700 0.004 0.000 0.768 42 E HN 0.728 nan 8.360 nan 0.000 0.465 43 T N -3.038 111.519 114.554 0.004 0.000 2.888 43 T HA 0.523 4.870 4.350 -0.005 0.000 0.288 43 T C -0.047 174.656 174.700 0.005 0.000 1.063 43 T CA -0.947 61.156 62.100 0.005 0.000 1.010 43 T CB 2.198 71.068 68.868 0.004 0.000 1.214 43 T HN -0.063 nan 8.240 nan 0.000 0.533 44 R N 0.429 120.932 120.500 0.005 0.000 2.370 44 R HA 0.426 4.763 4.340 -0.005 0.000 0.309 44 R C -1.148 175.156 176.300 0.007 0.000 1.059 44 R CA -0.521 55.583 56.100 0.006 0.000 0.981 44 R CB -0.139 30.163 30.300 0.003 0.000 0.972 44 R HN 0.521 nan 8.270 nan 0.000 0.437 45 L N 6.088 127.317 121.223 0.010 0.000 2.318 45 L HA 0.336 4.673 4.340 -0.005 0.000 0.277 45 L C -1.259 175.622 176.870 0.019 0.000 1.008 45 L CA -0.471 54.377 54.840 0.013 0.000 0.846 45 L CB 1.812 43.877 42.059 0.011 0.000 1.220 45 L HN 0.324 nan 8.230 nan 0.000 0.423 46 V N 6.360 126.286 119.914 0.020 0.000 2.394 46 V HA 0.398 4.515 4.120 -0.005 0.000 0.282 46 V C 0.062 176.178 176.094 0.036 0.000 1.031 46 V CA -0.550 61.767 62.300 0.029 0.000 0.881 46 V CB 1.569 33.406 31.823 0.023 0.000 0.982 46 V HN 0.518 nan 8.190 nan 0.000 0.451 47 L N 4.758 126.009 121.223 0.047 0.000 2.262 47 L HA 0.490 4.827 4.340 -0.005 0.000 0.288 47 L C 0.409 177.319 176.870 0.066 0.000 1.035 47 L CA -0.171 54.701 54.840 0.053 0.000 0.820 47 L CB 1.290 43.386 42.059 0.060 0.000 1.204 47 L HN 0.711 nan 8.230 nan 0.000 0.424 48 E N 2.784 123.024 120.200 0.066 0.000 2.331 48 E HA 0.285 4.632 4.350 -0.005 0.000 0.272 48 E C -0.863 175.780 176.600 0.070 0.000 1.036 48 E CA -0.678 55.770 56.400 0.079 0.000 0.864 48 E CB 1.596 31.357 29.700 0.102 0.000 1.035 48 E HN 0.275 nan 8.360 nan 0.000 0.408 49 V N 3.529 123.484 119.914 0.069 0.000 2.686 49 V HA 0.278 4.395 4.120 -0.005 0.000 0.295 49 V C 0.747 176.865 176.094 0.040 0.000 1.055 49 V CA 0.794 63.136 62.300 0.070 0.000 1.050 49 V CB 1.124 32.998 31.823 0.085 0.000 0.984 49 V HN 0.910 nan 8.190 nan 0.000 0.482 50 A N 3.824 126.674 122.820 0.051 0.000 2.140 50 A HA 0.415 4.732 4.320 -0.005 0.000 0.199 50 A C 0.485 178.086 177.584 0.029 0.000 1.416 50 A CA 0.071 52.120 52.037 0.019 0.000 1.018 50 A CB 0.515 19.524 19.000 0.016 0.000 1.117 50 A HN 0.770 nan 8.150 nan 0.000 0.480 51 Q N -1.127 118.726 119.800 0.089 0.000 2.522 51 Q HA 0.337 4.674 4.340 -0.005 0.000 0.285 51 Q C -1.647 174.512 176.000 0.264 0.000 0.982 51 Q CA -0.638 55.232 55.803 0.111 0.000 0.805 51 Q CB 1.478 30.256 28.738 0.066 0.000 1.457 51 Q HN 0.543 nan 8.270 nan 0.000 0.394 52 H N 1.988 121.056 119.070 -0.003 0.000 2.680 52 H HA 0.235 4.791 4.556 -0.000 0.000 0.260 52 H C 0.634 175.967 175.328 0.008 0.000 1.328 52 H CA -0.166 55.883 56.048 0.002 0.000 1.269 52 H CB 0.507 30.263 29.762 -0.009 0.000 1.446 52 H HN 0.436 nan 8.280 nan 0.000 0.527 53 L N 2.055 123.324 121.223 0.076 0.000 2.549 53 L HA -0.021 4.316 4.340 -0.005 0.000 0.230 53 L C 1.227 178.117 176.870 0.033 0.000 1.162 53 L CA 0.688 55.555 54.840 0.046 0.000 0.834 53 L CB -0.508 41.568 42.059 0.029 0.000 0.947 53 L HN 0.738 nan 8.230 nan 0.000 0.452 54 G N 0.380 109.196 108.800 0.027 0.000 2.705 54 G HA2 -0.187 3.770 3.960 -0.005 0.000 0.686 54 G HA3 -0.187 3.770 3.960 -0.005 0.000 0.686 54 G C 0.055 174.957 174.900 0.005 0.000 1.285 54 G CA -0.270 44.841 45.100 0.019 0.000 0.800 54 G HN 0.414 nan 8.290 nan 0.000 0.611 55 E N -0.559 119.643 120.200 0.003 0.000 2.645 55 E HA -0.173 4.174 4.350 -0.005 0.000 0.282 55 E C 1.011 177.612 176.600 0.002 0.000 1.013 55 E CA 1.055 57.457 56.400 0.004 0.000 0.842 55 E CB -1.617 28.086 29.700 0.004 0.000 1.396 55 E HN 2.109 nan 8.360 nan 0.000 0.404 56 S N -1.987 113.708 115.700 -0.007 0.000 3.561 56 S HA -0.209 4.258 4.470 -0.005 0.000 0.318 56 S C 0.092 174.708 174.600 0.027 0.000 1.181 56 S CA 1.518 59.721 58.200 0.006 0.000 0.916 56 S CB -1.004 62.218 63.200 0.036 0.000 0.966 56 S HN 0.439 nan 8.310 nan 0.000 0.550 57 T N 1.395 115.944 114.554 -0.009 0.000 2.863 57 T HA 0.643 4.990 4.350 -0.005 0.000 0.285 57 T C 0.234 174.926 174.700 -0.015 0.000 1.009 57 T CA -0.360 61.753 62.100 0.020 0.000 0.989 57 T CB 1.921 70.796 68.868 0.012 0.000 1.004 57 T HN 0.473 nan 8.240 nan 0.000 0.455 58 V N 1.183 121.122 119.914 0.043 0.000 2.732 58 V HA 0.771 4.888 4.120 -0.005 0.000 0.310 58 V C -0.220 175.915 176.094 0.069 0.000 1.053 58 V CA -1.357 60.965 62.300 0.037 0.000 0.957 58 V CB 1.592 33.462 31.823 0.077 0.000 1.018 58 V HN 0.850 nan 8.190 nan 0.000 0.452 59 R N 2.129 122.674 120.500 0.074 0.000 2.310 59 R HA 0.684 5.021 4.340 -0.005 0.000 0.324 59 R C -0.161 176.177 176.300 0.063 0.000 0.955 59 R CA 0.213 56.348 56.100 0.058 0.000 0.830 59 R CB 1.331 31.658 30.300 0.045 0.000 1.154 59 R HN 1.162 nan 8.270 nan 0.000 0.458 60 T N 1.738 116.326 114.554 0.056 0.000 2.926 60 T HA 0.583 4.930 4.350 -0.005 0.000 0.289 60 T C 0.174 174.897 174.700 0.039 0.000 1.054 60 T CA -1.030 61.103 62.100 0.055 0.000 1.015 60 T CB 1.185 70.094 68.868 0.068 0.000 1.167 60 T HN 0.563 nan 8.240 nan 0.000 0.526 61 I N -0.388 120.205 120.570 0.038 0.000 2.389 61 I HA 0.799 4.966 4.170 -0.005 0.000 0.288 61 I C 0.227 176.362 176.117 0.031 0.000 0.999 61 I CA -1.466 59.851 61.300 0.028 0.000 1.129 61 I CB 1.195 39.209 38.000 0.023 0.000 1.288 61 I HN 0.884 nan 8.210 nan 0.000 0.444 62 A N 7.111 129.945 122.820 0.023 0.000 2.462 62 A HA 0.389 4.706 4.320 -0.005 0.000 0.243 62 A C 0.858 178.455 177.584 0.021 0.000 1.076 62 A CA -0.235 51.815 52.037 0.022 0.000 0.773 62 A CB 0.371 19.380 19.000 0.015 0.000 1.010 62 A HN 0.886 nan 8.150 nan 0.000 0.493 63 M N 0.741 120.354 119.600 0.022 0.000 2.431 63 M HA 0.193 4.670 4.480 -0.005 0.000 0.237 63 M C -0.075 176.234 176.300 0.014 0.000 1.130 63 M CA 0.582 55.894 55.300 0.019 0.000 1.002 63 M CB -1.270 31.342 32.600 0.020 0.000 1.524 63 M HN 0.890 nan 8.290 nan 0.000 0.482 64 D N -1.241 119.166 120.400 0.012 0.000 2.692 64 D HA 0.437 5.074 4.640 -0.005 0.000 0.290 64 D C -0.333 175.971 176.300 0.007 0.000 1.281 64 D CA -0.316 53.689 54.000 0.009 0.000 0.804 64 D CB 1.018 41.823 40.800 0.008 0.000 1.331 64 D HN 0.122 nan 8.370 nan 0.000 0.432 65 G N -0.213 108.590 108.800 0.005 0.000 2.115 65 G HA2 0.214 4.171 3.960 -0.005 0.000 0.244 65 G HA3 0.214 4.171 3.960 -0.005 0.000 0.244 65 G C 0.965 175.867 174.900 0.004 0.000 1.105 65 G CA 0.743 45.845 45.100 0.004 0.000 0.893 65 G HN 0.529 nan 8.290 nan 0.000 0.443 66 T N -0.396 114.160 114.554 0.003 0.000 3.144 66 T HA 0.156 4.503 4.350 -0.005 0.000 0.249 66 T C 0.581 175.281 174.700 -0.000 0.000 1.089 66 T CA -0.058 62.043 62.100 0.002 0.000 0.989 66 T CB -0.191 68.678 68.868 0.002 0.000 0.992 66 T HN 0.662 nan 8.240 nan 0.000 0.540 67 E N 1.346 121.546 120.200 -0.000 0.000 2.558 67 E HA 0.384 4.731 4.350 -0.005 0.000 0.255 67 E C 1.435 178.034 176.600 -0.002 0.000 0.968 67 E CA 0.604 57.004 56.400 -0.001 0.000 0.939 67 E CB -0.423 29.277 29.700 -0.000 0.000 0.921 67 E HN 0.343 nan 8.360 nan 0.000 0.477 68 G N 2.526 111.324 108.800 -0.003 0.000 2.268 68 G HA2 -0.317 3.640 3.960 -0.005 0.000 0.240 68 G HA3 -0.317 3.640 3.960 -0.005 0.000 0.240 68 G C 0.328 175.225 174.900 -0.005 0.000 1.010 68 G CA -0.046 45.052 45.100 -0.004 0.000 0.618 68 G HN 0.428 nan 8.290 nan 0.000 0.516 69 L N 0.638 121.858 121.223 -0.006 0.000 2.503 69 L HA 0.360 4.697 4.340 -0.005 0.000 0.287 69 L C 0.655 177.518 176.870 -0.011 0.000 1.252 69 L CA 0.232 55.067 54.840 -0.009 0.000 0.835 69 L CB 0.541 42.595 42.059 -0.009 0.000 1.099 69 L HN 0.060 nan 8.230 nan 0.000 0.516 70 V N 2.078 121.983 119.914 -0.015 0.000 2.638 70 V HA 0.345 4.462 4.120 -0.005 0.000 0.306 70 V C 0.032 176.113 176.094 -0.023 0.000 1.052 70 V CA -0.886 61.404 62.300 -0.017 0.000 0.885 70 V CB 1.826 33.640 31.823 -0.016 0.000 0.999 70 V HN 0.641 nan 8.190 nan 0.000 0.424 71 R N 2.305 122.792 120.500 -0.022 0.000 2.538 71 R HA 0.392 4.729 4.340 -0.005 0.000 0.282 71 R C 1.357 177.638 176.300 -0.032 0.000 1.009 71 R CA 1.248 57.331 56.100 -0.027 0.000 1.063 71 R CB 0.172 30.458 30.300 -0.023 0.000 0.945 71 R HN 1.215 nan 8.270 nan 0.000 0.414 72 G N 1.763 110.537 108.800 -0.044 0.000 2.254 72 G HA2 -0.331 3.626 3.960 -0.005 0.000 0.225 72 G HA3 -0.331 3.626 3.960 -0.005 0.000 0.225 72 G C 0.265 175.134 174.900 -0.053 0.000 1.003 72 G CA 0.127 45.198 45.100 -0.048 0.000 0.622 72 G HN 0.607 nan 8.290 nan 0.000 0.507 73 Q N 1.310 121.082 119.800 -0.046 0.000 2.394 73 Q HA 0.343 4.680 4.340 -0.005 0.000 0.303 73 Q C 0.352 176.314 176.000 -0.062 0.000 1.117 73 Q CA 0.772 56.549 55.803 -0.044 0.000 0.966 73 Q CB 0.267 28.985 28.738 -0.034 0.000 1.275 73 Q HN 0.495 nan 8.270 nan 0.000 0.429 74 K N 1.488 121.855 120.400 -0.054 0.000 2.143 74 K HA 0.456 4.773 4.320 -0.005 0.000 0.272 74 K C -1.326 175.236 176.600 -0.063 0.000 1.001 74 K CA -0.628 55.619 56.287 -0.068 0.000 0.915 74 K CB 1.460 33.933 32.500 -0.045 0.000 1.047 74 K HN 0.342 nan 8.250 nan 0.000 0.458 75 V N 4.139 123.996 119.914 -0.095 0.000 2.577 75 V HA 0.315 4.432 4.120 -0.005 0.000 0.303 75 V C -0.671 175.420 176.094 -0.006 0.000 1.042 75 V CA -0.879 61.387 62.300 -0.057 0.000 0.872 75 V CB 1.609 33.383 31.823 -0.082 0.000 0.998 75 V HN 0.628 nan 8.190 nan 0.000 0.423 76 L N 3.471 124.732 121.223 0.063 0.000 2.276 76 L HA 0.439 4.776 4.340 -0.005 0.000 0.286 76 L C -0.054 176.913 176.870 0.162 0.000 1.024 76 L CA -0.516 54.392 54.840 0.112 0.000 0.826 76 L CB 1.430 43.530 42.059 0.069 0.000 1.211 76 L HN 0.688 nan 8.230 nan 0.000 0.422 77 D N 1.966 122.513 120.400 0.245 0.000 2.389 77 D HA -0.082 4.555 4.640 -0.005 0.000 0.263 77 D C 1.211 177.565 176.300 0.091 0.000 1.255 77 D CA 0.148 54.246 54.000 0.165 0.000 0.914 77 D CB 1.121 41.964 40.800 0.072 0.000 1.116 77 D HN 0.514 nan 8.370 nan 0.000 0.502 78 S N 2.747 118.493 115.700 0.077 0.000 2.660 78 S HA 0.090 4.557 4.470 -0.005 0.000 0.228 78 S C 1.689 176.317 174.600 0.047 0.000 0.966 78 S CA 0.200 58.437 58.200 0.061 0.000 0.940 78 S CB -0.671 62.566 63.200 0.061 0.000 0.773 78 S HN 0.883 nan 8.310 nan 0.000 0.535 79 G N 0.206 109.026 108.800 0.033 0.000 2.296 79 G HA2 0.052 4.009 3.960 -0.005 0.000 0.282 79 G HA3 0.052 4.009 3.960 -0.005 0.000 0.282 79 G C 0.211 175.125 174.900 0.023 0.000 1.014 79 G CA 0.181 45.291 45.100 0.015 0.000 0.812 79 G HN 1.750 nan 8.290 nan 0.000 0.508 80 A N -1.545 121.296 122.820 0.035 0.000 2.583 80 A HA 0.817 5.134 4.320 -0.005 0.000 0.292 80 A C -2.867 174.752 177.584 0.060 0.000 1.045 80 A CA -0.445 51.619 52.037 0.045 0.000 0.672 80 A CB 1.025 20.055 19.000 0.050 0.000 1.283 80 A HN 0.181 nan 8.150 nan 0.000 0.419 81 P HA 0.343 nan 4.420 nan 0.000 0.272 81 P C -0.152 177.187 177.300 0.066 0.000 1.254 81 P CA -0.130 63.038 63.100 0.114 0.000 0.795 81 P CB 0.227 32.037 31.700 0.183 0.000 1.022 82 I N 0.887 121.485 120.570 0.046 0.000 2.742 82 I HA -0.080 4.087 4.170 -0.005 0.000 0.287 82 I C 1.342 177.437 176.117 -0.037 0.000 1.186 82 I CA 0.958 62.252 61.300 -0.010 0.000 1.417 82 I CB -0.209 37.768 38.000 -0.038 0.000 1.377 82 I HN 0.098 nan 8.210 nan 0.000 0.556 83 R N 7.540 128.016 120.500 -0.040 0.000 2.711 83 R HA 0.786 5.123 4.340 -0.005 0.000 0.284 83 R C -0.726 175.464 176.300 -0.183 0.000 0.968 83 R CA -0.927 55.141 56.100 -0.053 0.000 0.924 83 R CB 2.292 32.614 30.300 0.037 0.000 1.162 83 R HN 0.605 nan 8.270 nan 0.000 0.465 84 I N -1.742 118.693 120.570 -0.225 0.000 2.969 84 I HA 0.566 4.732 4.170 -0.005 0.000 0.307 84 I C -2.734 173.118 176.117 -0.442 0.000 1.149 84 I CA -3.329 57.754 61.300 -0.361 0.000 1.008 84 I CB 2.606 40.477 38.000 -0.214 0.000 1.232 84 I HN 0.293 nan 8.210 nan 0.000 0.435 85 P HA 0.149 nan 4.420 nan 0.000 0.267 85 P C -0.554 176.634 177.300 -0.186 0.000 1.209 85 P CA -0.019 62.884 63.100 -0.328 0.000 0.763 85 P CB 0.745 32.300 31.700 -0.242 0.000 0.816 86 V N 0.799 120.620 119.914 -0.156 0.000 2.960 86 V HA 1.023 5.140 4.120 -0.005 0.000 0.315 86 V C 0.280 176.004 176.094 -0.617 0.000 1.087 86 V CA -0.245 61.855 62.300 -0.332 0.000 0.982 86 V CB 1.368 33.020 31.823 -0.285 0.000 1.039 86 V HN 0.928 nan 8.190 nan 0.000 0.437 87 G N 2.691 110.829 108.800 -1.103 0.000 2.343 87 G HA2 0.085 4.042 3.960 -0.005 0.000 0.562 87 G HA3 0.085 4.042 3.960 -0.005 0.000 0.562 87 G C -2.717 172.032 174.900 -0.253 0.000 1.269 87 G CA -0.034 44.331 45.100 -1.224 0.000 1.011 87 G HN 0.597 nan 8.290 nan 0.000 0.498 88 P HA 0.016 nan 4.420 nan 0.000 0.216 88 P C 1.455 178.774 177.300 0.031 0.000 1.153 88 P CA 1.788 65.000 63.100 0.185 0.000 0.848 88 P CB 0.014 31.814 31.700 0.167 0.000 0.787 89 E N -0.325 119.873 120.200 -0.002 0.000 2.520 89 E HA -0.069 4.278 4.350 -0.005 0.000 0.201 89 E C 1.019 177.601 176.600 -0.031 0.000 1.122 89 E CA 1.185 57.574 56.400 -0.018 0.000 0.896 89 E CB -1.224 28.471 29.700 -0.009 0.000 0.891 89 E HN 0.380 nan 8.360 nan 0.000 0.533 90 T N -1.806 112.733 114.554 -0.025 0.000 3.023 90 T HA 0.142 4.489 4.350 -0.005 0.000 0.249 90 T C 1.125 175.805 174.700 -0.032 0.000 1.050 90 T CA -0.371 61.710 62.100 -0.031 0.000 1.088 90 T CB -0.288 68.565 68.868 -0.025 0.000 0.946 90 T HN 0.046 nan 8.240 nan 0.000 0.480 91 L N 2.334 123.527 121.223 -0.050 0.000 2.578 91 L HA 0.367 4.704 4.340 -0.005 0.000 0.279 91 L C 1.787 178.603 176.870 -0.090 0.000 1.227 91 L CA 1.091 55.853 54.840 -0.129 0.000 0.900 91 L CB -0.175 41.692 42.059 -0.320 0.000 1.144 91 L HN 0.628 nan 8.230 nan 0.000 0.496 92 G N 1.653 110.413 108.800 -0.067 0.000 2.212 92 G HA2 -0.231 3.726 3.960 -0.005 0.000 0.266 92 G HA3 -0.231 3.726 3.960 -0.005 0.000 0.266 92 G C 0.468 175.356 174.900 -0.021 0.000 0.978 92 G CA -0.249 44.832 45.100 -0.032 0.000 0.632 92 G HN 0.471 nan 8.290 nan 0.000 0.537 93 R N -0.057 120.409 120.500 -0.056 0.000 2.596 93 R HA 0.742 5.079 4.340 -0.005 0.000 0.267 93 R C 0.571 176.773 176.300 -0.163 0.000 1.026 93 R CA -0.887 55.162 56.100 -0.084 0.000 1.087 93 R CB 0.550 30.805 30.300 -0.074 0.000 1.132 93 R HN 0.358 nan 8.270 nan 0.000 0.531 94 I N 1.801 122.229 120.570 -0.236 0.000 2.404 94 I HA 0.450 4.617 4.170 -0.005 0.000 0.293 94 I C 0.361 176.343 176.117 -0.226 0.000 0.992 94 I CA -0.469 60.621 61.300 -0.350 0.000 1.149 94 I CB 1.552 39.223 38.000 -0.549 0.000 1.315 94 I HN 0.222 nan 8.210 nan 0.000 0.446 95 M N 5.428 124.909 119.600 -0.199 0.000 2.518 95 M HA 0.421 4.898 4.480 -0.005 0.000 0.300 95 M C -1.030 175.236 176.300 -0.057 0.000 1.175 95 M CA -0.526 54.706 55.300 -0.113 0.000 0.890 95 M CB 2.312 34.849 32.600 -0.104 0.000 1.710 95 M HN 0.634 nan 8.290 nan 0.000 0.453 96 N N 1.433 120.110 118.700 -0.039 0.000 2.229 96 N HA 0.099 4.836 4.740 -0.005 0.000 0.242 96 N C 0.639 176.141 175.510 -0.015 0.000 1.327 96 N CA 0.161 53.205 53.050 -0.010 0.000 0.896 96 N CB 0.788 39.259 38.487 -0.027 0.000 1.129 96 N HN 0.556 nan 8.380 nan 0.000 0.490 97 V N 0.528 120.438 119.914 -0.007 0.000 2.591 97 V HA -0.075 4.042 4.120 -0.005 0.000 0.249 97 V C 1.528 177.596 176.094 -0.043 0.000 1.053 97 V CA 1.397 63.688 62.300 -0.014 0.000 1.068 97 V CB -0.701 31.122 31.823 0.000 0.000 0.689 97 V HN 0.718 nan 8.190 nan 0.000 0.462 98 I N -0.951 119.590 120.570 -0.048 0.000 3.805 98 I HA 0.689 4.856 4.170 -0.005 0.000 0.337 98 I C 1.067 177.118 176.117 -0.109 0.000 1.539 98 I CA 0.053 61.311 61.300 -0.069 0.000 1.176 98 I CB -0.313 37.660 38.000 -0.045 0.000 1.248 98 I HN 0.188 nan 8.210 nan 0.000 0.437 99 G N 1.427 110.158 108.800 -0.116 0.000 2.371 99 G HA2 -0.246 3.711 3.960 -0.005 0.000 0.299 99 G HA3 -0.246 3.711 3.960 -0.005 0.000 0.299 99 G C -0.242 174.574 174.900 -0.140 0.000 1.014 99 G CA 0.191 45.200 45.100 -0.151 0.000 1.097 99 G HN 0.722 nan 8.290 nan 0.000 0.512 100 E N 0.206 120.349 120.200 -0.094 0.000 2.235 100 E HA 0.483 4.830 4.350 -0.005 0.000 0.265 100 E C -2.637 173.921 176.600 -0.070 0.000 0.940 100 E CA -2.309 54.045 56.400 -0.076 0.000 0.819 100 E CB 2.274 31.943 29.700 -0.052 0.000 1.206 100 E HN 0.162 nan 8.360 nan 0.000 0.409 101 P HA 0.179 nan 4.420 nan 0.000 0.286 101 P C -0.023 177.243 177.300 -0.057 0.000 1.269 101 P CA -0.080 62.980 63.100 -0.066 0.000 0.787 101 P CB 0.249 31.918 31.700 -0.052 0.000 0.920 102 I N -0.555 119.968 120.570 -0.078 0.000 3.817 102 I HA 0.340 4.507 4.170 -0.005 0.000 0.325 102 I C -0.224 175.836 176.117 -0.095 0.000 1.550 102 I CA -0.269 60.994 61.300 -0.061 0.000 1.100 102 I CB 0.238 38.218 38.000 -0.035 0.000 1.216 102 I HN 0.022 nan 8.210 nan 0.000 0.481 103 D N -0.065 120.268 120.400 -0.112 0.000 2.469 103 D HA 0.032 4.669 4.640 -0.005 0.000 0.213 103 D C 0.454 176.743 176.300 -0.018 0.000 1.135 103 D CA -0.060 53.865 54.000 -0.124 0.000 0.834 103 D CB -0.064 40.619 40.800 -0.195 0.000 1.009 103 D HN 0.357 nan 8.370 nan 0.000 0.507 104 E N 0.159 120.349 120.200 -0.016 0.000 2.637 104 E HA -0.255 4.092 4.350 -0.005 0.000 0.265 104 E C 0.070 176.678 176.600 0.014 0.000 1.073 104 E CA 0.328 56.732 56.400 0.006 0.000 0.778 104 E CB -1.622 28.093 29.700 0.024 0.000 1.362 104 E HN 0.458 nan 8.360 nan 0.000 0.413 105 R N 0.304 120.807 120.500 0.005 0.000 2.702 105 R HA 0.286 4.623 4.340 -0.005 0.000 0.314 105 R C 0.927 177.229 176.300 0.002 0.000 1.152 105 R CA 0.451 56.557 56.100 0.011 0.000 1.097 105 R CB 0.686 30.995 30.300 0.014 0.000 1.343 105 R HN 0.368 nan 8.270 nan 0.000 0.575 106 G N 1.986 110.787 108.800 0.001 0.000 2.796 106 G HA2 -0.234 3.723 3.960 -0.005 0.000 0.226 106 G HA3 -0.234 3.723 3.960 -0.005 0.000 0.226 106 G C -2.489 172.407 174.900 -0.005 0.000 1.381 106 G CA -1.190 43.910 45.100 0.001 0.000 0.867 106 G HN 0.124 nan 8.290 nan 0.000 0.552 107 P HA 0.326 nan 4.420 nan 0.000 0.268 107 P C 0.300 177.599 177.300 -0.002 0.000 1.204 107 P CA 0.072 63.173 63.100 0.001 0.000 0.768 107 P CB 0.231 31.942 31.700 0.017 0.000 0.842 108 I N 2.784 123.345 120.570 -0.015 0.000 2.329 108 I HA 0.160 4.327 4.170 -0.005 0.000 0.295 108 I C 0.818 176.946 176.117 0.019 0.000 1.109 108 I CA -0.082 61.206 61.300 -0.020 0.000 1.297 108 I CB -0.269 37.697 38.000 -0.056 0.000 1.433 108 I HN 0.091 nan 8.210 nan 0.000 0.509 109 K N 5.931 126.349 120.400 0.029 0.000 2.244 109 K HA 0.283 4.600 4.320 -0.005 0.000 0.263 109 K C 0.141 176.774 176.600 0.056 0.000 1.103 109 K CA -0.317 56.005 56.287 0.058 0.000 0.966 109 K CB 0.851 33.374 32.500 0.038 0.000 1.429 109 K HN 0.675 nan 8.250 nan 0.000 0.434 110 T N -1.441 113.177 114.554 0.106 0.000 2.919 110 T HA 0.341 4.688 4.350 -0.005 0.000 0.282 110 T C 0.886 175.627 174.700 0.068 0.000 1.020 110 T CA -0.923 61.218 62.100 0.068 0.000 0.994 110 T CB 1.574 70.473 68.868 0.051 0.000 1.180 110 T HN 0.281 nan 8.240 nan 0.000 0.566 111 K N -0.140 120.273 120.400 0.022 0.000 2.168 111 K HA 0.129 4.446 4.320 -0.005 0.000 0.201 111 K C 0.321 176.886 176.600 -0.058 0.000 1.049 111 K CA 0.443 56.715 56.287 -0.026 0.000 0.974 111 K CB -0.022 32.476 32.500 -0.004 0.000 0.792 111 K HN 0.464 nan 8.250 nan 0.000 0.463 112 Q N 0.202 120.021 119.800 0.032 0.000 2.222 112 Q HA 0.357 4.694 4.340 -0.005 0.000 0.252 112 Q C -0.931 175.282 176.000 0.355 0.000 0.926 112 Q CA -0.319 55.534 55.803 0.084 0.000 0.899 112 Q CB 0.892 29.691 28.738 0.102 0.000 1.250 112 Q HN -0.072 nan 8.270 nan 0.000 0.441 113 F N 0.467 120.396 119.950 -0.035 0.000 2.508 113 F HA 0.774 5.295 4.527 -0.008 0.000 0.325 113 F C -0.326 175.457 175.800 -0.028 0.000 1.090 113 F CA -1.811 56.166 58.000 -0.039 0.000 0.945 113 F CB 1.726 40.711 39.000 -0.025 0.000 1.156 113 F HN 0.566 nan 8.300 nan 0.000 0.463 114 A N 2.029 124.906 122.820 0.095 0.000 2.357 114 A HA 0.767 5.084 4.320 -0.005 0.000 0.295 114 A C -0.564 177.026 177.584 0.011 0.000 1.121 114 A CA -0.681 51.387 52.037 0.051 0.000 0.742 114 A CB 0.704 19.720 19.000 0.027 0.000 1.181 114 A HN 0.942 nan 8.150 nan 0.000 0.454 115 A N 2.317 125.153 122.820 0.027 0.000 2.540 115 A HA 0.388 4.705 4.320 -0.005 0.000 0.239 115 A C 1.270 178.836 177.584 -0.031 0.000 1.061 115 A CA 0.318 52.360 52.037 0.008 0.000 0.758 115 A CB -0.324 18.699 19.000 0.038 0.000 0.991 115 A HN 1.655 nan 8.150 nan 0.000 0.502 116 I N -0.051 120.460 120.570 -0.097 0.000 2.439 116 I HA -0.037 4.130 4.170 -0.005 0.000 0.251 116 I C 0.243 176.242 176.117 -0.197 0.000 1.139 116 I CA 0.691 61.886 61.300 -0.175 0.000 1.438 116 I CB -0.424 37.416 38.000 -0.268 0.000 1.085 116 I HN 0.553 nan 8.210 nan 0.000 0.427 117 H N 3.312 122.387 119.070 0.008 0.000 3.067 117 H HA 0.641 5.193 4.556 -0.007 0.000 0.265 117 H C -0.212 175.120 175.328 0.007 0.000 1.234 117 H CA -0.025 56.029 56.048 0.009 0.000 1.452 117 H CB 0.503 30.271 29.762 0.010 0.000 1.527 117 H HN 0.441 nan 8.280 nan 0.000 0.486 118 A N 4.033 126.910 122.820 0.095 0.000 2.380 118 A HA 0.430 4.747 4.320 -0.005 0.000 0.315 118 A C 0.292 177.907 177.584 0.051 0.000 1.101 118 A CA -0.922 51.149 52.037 0.058 0.000 0.771 118 A CB 1.844 20.860 19.000 0.027 0.000 1.287 118 A HN 0.561 nan 8.150 nan 0.000 0.436 119 E N 0.311 120.534 120.200 0.038 0.000 2.385 119 E HA 0.544 4.891 4.350 -0.005 0.000 0.254 119 E C 0.090 176.705 176.600 0.026 0.000 1.228 119 E CA -0.313 56.106 56.400 0.032 0.000 0.956 119 E CB 0.944 30.659 29.700 0.026 0.000 1.116 119 E HN 0.730 nan 8.360 nan 0.000 0.507 120 A N 0.786 123.622 122.820 0.027 0.000 2.311 120 A HA 0.486 4.803 4.320 -0.005 0.000 0.334 120 A C -2.329 175.271 177.584 0.027 0.000 1.139 120 A CA -1.750 50.301 52.037 0.023 0.000 0.830 120 A CB 0.160 19.175 19.000 0.025 0.000 1.234 120 A HN 0.277 nan 8.150 nan 0.000 0.483 121 P HA -0.018 nan 4.420 nan 0.000 0.238 121 P C -0.261 177.062 177.300 0.040 0.000 1.090 121 P CA 0.581 63.691 63.100 0.017 0.000 0.944 121 P CB -0.113 31.588 31.700 0.001 0.000 0.881 122 E N 1.766 121.996 120.200 0.049 0.000 2.598 122 E HA -0.170 4.177 4.350 -0.005 0.000 0.273 122 E C 0.990 177.664 176.600 0.122 0.000 1.029 122 E CA 0.174 56.626 56.400 0.086 0.000 0.985 122 E CB 0.026 29.768 29.700 0.071 0.000 0.988 122 E HN 0.337 nan 8.360 nan 0.000 0.460 123 F N 2.444 122.392 119.950 -0.003 0.000 2.147 123 F HA -0.252 4.270 4.527 -0.009 0.000 0.301 123 F C 1.937 177.734 175.800 -0.005 0.000 1.084 123 F CA 1.904 59.902 58.000 -0.003 0.000 1.268 123 F CB -0.196 38.802 39.000 -0.003 0.000 1.009 123 F HN 0.330 nan 8.300 nan 0.000 0.486 124 V N -2.300 117.655 119.914 0.069 0.000 3.510 124 V HA -0.058 4.059 4.120 -0.005 0.000 0.270 124 V C 1.168 177.223 176.094 -0.066 0.000 1.201 124 V CA 1.587 63.870 62.300 -0.029 0.000 1.166 124 V CB -0.928 30.922 31.823 0.045 0.000 0.825 124 V HN 0.485 nan 8.190 nan 0.000 0.484 125 E N -0.681 119.481 120.200 -0.063 0.000 2.447 125 E HA 0.252 4.598 4.350 -0.005 0.000 0.204 125 E C 0.490 177.035 176.600 -0.091 0.000 0.977 125 E CA -0.452 55.914 56.400 -0.058 0.000 0.950 125 E CB 0.015 29.699 29.700 -0.027 0.000 0.975 125 E HN 0.413 nan 8.360 nan 0.000 0.496 126 M N 1.886 121.400 119.600 -0.145 0.000 2.246 126 M HA 0.014 4.491 4.480 -0.005 0.000 0.327 126 M C 0.587 176.789 176.300 -0.163 0.000 1.090 126 M CA 0.059 55.258 55.300 -0.169 0.000 1.087 126 M CB 0.331 32.760 32.600 -0.284 0.000 1.587 126 M HN -0.069 nan 8.290 nan 0.000 0.444 127 S N 1.819 117.449 115.700 -0.118 0.000 2.586 127 S HA 0.422 4.889 4.470 -0.005 0.000 0.274 127 S C 0.701 175.232 174.600 -0.115 0.000 1.281 127 S CA -0.926 57.214 58.200 -0.099 0.000 1.035 127 S CB 0.747 63.905 63.200 -0.070 0.000 0.962 127 S HN 0.480 nan 8.310 nan 0.000 0.512 128 V N 1.414 121.266 119.914 -0.103 0.000 3.647 128 V HA 0.412 4.529 4.120 -0.005 0.000 0.279 128 V C 0.432 176.489 176.094 -0.062 0.000 1.314 128 V CA 0.149 62.391 62.300 -0.097 0.000 1.125 128 V CB -1.461 30.307 31.823 -0.091 0.000 0.907 128 V HN 0.806 nan 8.190 nan 0.000 0.434 129 E N 0.118 120.287 120.200 -0.053 0.000 2.367 129 E HA 0.445 4.792 4.350 -0.005 0.000 0.273 129 E C -1.001 175.579 176.600 -0.033 0.000 0.903 129 E CA -0.817 55.560 56.400 -0.038 0.000 0.764 129 E CB 1.665 31.346 29.700 -0.031 0.000 1.252 129 E HN 0.144 nan 8.360 nan 0.000 0.446 130 Q N 1.967 121.750 119.800 -0.027 0.000 2.307 130 Q HA 0.247 4.584 4.340 -0.005 0.000 0.259 130 Q C -0.841 175.150 176.000 -0.015 0.000 0.998 130 Q CA 0.350 56.139 55.803 -0.022 0.000 0.923 130 Q CB 1.052 29.776 28.738 -0.023 0.000 1.196 130 Q HN 0.456 nan 8.270 nan 0.000 0.416 131 E N 1.991 122.184 120.200 -0.012 0.000 2.248 131 E HA 0.388 4.735 4.350 -0.005 0.000 0.267 131 E C -0.608 175.997 176.600 0.008 0.000 0.877 131 E CA -0.686 55.714 56.400 -0.001 0.000 0.759 131 E CB 2.415 32.111 29.700 -0.007 0.000 1.182 131 E HN 0.573 nan 8.360 nan 0.000 0.418 132 I N 3.486 124.073 120.570 0.028 0.000 2.575 132 I HA 0.215 4.382 4.170 -0.005 0.000 0.285 132 I C -0.969 175.172 176.117 0.041 0.000 1.085 132 I CA -0.450 60.878 61.300 0.046 0.000 1.403 132 I CB 0.498 38.545 38.000 0.078 0.000 1.409 132 I HN 0.477 nan 8.210 nan 0.000 0.557 133 L N 8.354 129.601 121.223 0.039 0.000 2.264 133 L HA 0.476 4.813 4.340 -0.005 0.000 0.289 133 L C -0.881 176.024 176.870 0.058 0.000 1.044 133 L CA -0.370 54.464 54.840 -0.010 0.000 0.807 133 L CB 1.344 43.362 42.059 -0.068 0.000 1.192 133 L HN 0.494 nan 8.230 nan 0.000 0.425 134 V N 4.430 124.435 119.914 0.151 0.000 2.546 134 V HA 0.283 4.400 4.120 -0.005 0.000 0.284 134 V C 1.133 177.331 176.094 0.173 0.000 1.050 134 V CA 0.401 62.777 62.300 0.128 0.000 0.981 134 V CB 1.245 33.125 31.823 0.095 0.000 0.990 134 V HN 0.981 nan 8.190 nan 0.000 0.474 135 T N -0.807 113.746 114.554 -0.002 0.000 2.971 135 T HA 0.319 4.666 4.350 -0.005 0.000 0.252 135 T C 1.320 175.972 174.700 -0.080 0.000 1.022 135 T CA 0.596 62.670 62.100 -0.045 0.000 0.980 135 T CB 0.661 69.414 68.868 -0.191 0.000 1.044 135 T HN 1.464 nan 8.240 nan 0.000 0.501 136 G N 1.829 110.586 108.800 -0.071 0.000 2.157 136 G HA2 -0.180 3.777 3.960 -0.005 0.000 0.248 136 G HA3 -0.180 3.777 3.960 -0.005 0.000 0.248 136 G C -0.019 174.847 174.900 -0.057 0.000 0.979 136 G CA -0.067 44.995 45.100 -0.064 0.000 0.650 136 G HN 0.634 nan 8.290 nan 0.000 0.529 137 I N 1.186 121.711 120.570 -0.074 0.000 2.307 137 I HA 0.202 4.369 4.170 -0.005 0.000 0.289 137 I C 1.683 177.779 176.117 -0.035 0.000 1.021 137 I CA -0.735 60.552 61.300 -0.022 0.000 1.224 137 I CB 1.166 39.157 38.000 -0.015 0.000 1.376 137 I HN 0.017 nan 8.210 nan 0.000 0.470 138 K N 3.624 124.013 120.400 -0.018 0.000 2.077 138 K HA -0.219 4.098 4.320 -0.005 0.000 0.213 138 K C 1.771 178.305 176.600 -0.110 0.000 1.051 138 K CA 1.787 58.041 56.287 -0.056 0.000 0.929 138 K CB -0.250 32.215 32.500 -0.060 0.000 0.715 138 K HN 0.652 nan 8.250 nan 0.000 0.451 139 V N -0.411 119.456 119.914 -0.077 0.000 2.283 139 V HA -0.187 3.930 4.120 -0.005 0.000 0.243 139 V C 2.339 178.383 176.094 -0.083 0.000 1.039 139 V CA 1.423 63.661 62.300 -0.104 0.000 1.016 139 V CB -0.998 30.797 31.823 -0.048 0.000 0.650 139 V HN 0.007 nan 8.190 nan 0.000 0.449 140 V N 1.268 121.144 119.914 -0.063 0.000 2.231 140 V HA -0.295 3.822 4.120 -0.005 0.000 0.248 140 V C 2.509 178.547 176.094 -0.093 0.000 1.054 140 V CA 2.658 64.899 62.300 -0.098 0.000 1.015 140 V CB -0.949 30.730 31.823 -0.241 0.000 0.638 140 V HN 0.541 nan 8.190 nan 0.000 0.444 141 D N -0.441 119.901 120.400 -0.097 0.000 2.219 141 D HA -0.094 4.543 4.640 -0.005 0.000 0.205 141 D C 1.906 178.229 176.300 0.039 0.000 0.970 141 D CA 1.138 55.119 54.000 -0.032 0.000 0.851 141 D CB -0.028 40.746 40.800 -0.042 0.000 0.943 141 D HN 0.461 nan 8.370 nan 0.000 0.488 142 L N -0.623 120.577 121.223 -0.040 0.000 2.168 142 L HA 0.088 4.425 4.340 -0.005 0.000 0.203 142 L C 1.757 178.647 176.870 0.035 0.000 1.078 142 L CA 1.178 55.997 54.840 -0.035 0.000 0.780 142 L CB 0.016 41.902 42.059 -0.288 0.000 0.939 142 L HN -0.099 nan 8.230 nan 0.000 0.451 143 L N -0.550 120.644 121.223 -0.048 0.000 2.537 143 L HA 0.418 4.755 4.340 -0.005 0.000 0.224 143 L C 0.900 177.763 176.870 -0.011 0.000 1.065 143 L CA 0.433 55.245 54.840 -0.046 0.000 0.860 143 L CB 0.011 42.012 42.059 -0.098 0.000 1.086 143 L HN 0.229 nan 8.230 nan 0.000 0.482 144 A N 0.505 123.335 122.820 0.016 0.000 3.355 144 A HA 0.475 4.792 4.320 -0.005 0.000 0.290 144 A C -2.577 175.082 177.584 0.124 0.000 0.973 144 A CA -1.049 51.021 52.037 0.056 0.000 0.933 144 A CB -0.321 18.717 19.000 0.063 0.000 1.138 144 A HN -0.152 nan 8.150 nan 0.000 0.490 145 P HA 0.019 nan 4.420 nan 0.000 0.261 145 P C -0.338 177.099 177.300 0.228 0.000 1.183 145 P CA 0.635 63.805 63.100 0.117 0.000 0.761 145 P CB 0.094 31.834 31.700 0.067 0.000 0.785 146 Y N 1.951 122.252 120.300 0.001 0.000 2.335 146 Y HA 0.349 4.896 4.550 -0.005 0.000 0.348 146 Y C 1.220 177.104 175.900 -0.027 0.000 1.280 146 Y CA -0.987 57.103 58.100 -0.017 0.000 1.504 146 Y CB -0.153 38.295 38.460 -0.019 0.000 1.366 146 Y HN 0.393 nan 8.280 nan 0.000 0.621 147 A N 1.642 124.518 122.820 0.094 0.000 2.386 147 A HA 0.540 4.857 4.320 -0.005 0.000 0.311 147 A C -0.594 176.987 177.584 -0.005 0.000 1.068 147 A CA -1.116 50.937 52.037 0.027 0.000 0.743 147 A CB 0.853 19.851 19.000 -0.004 0.000 1.258 147 A HN 0.664 nan 8.150 nan 0.000 0.429 148 K N 0.752 121.140 120.400 -0.021 0.000 2.451 148 K HA 0.391 4.708 4.320 -0.005 0.000 0.280 148 K C 1.300 177.868 176.600 -0.053 0.000 1.020 148 K CA 1.769 58.025 56.287 -0.051 0.000 1.008 148 K CB 0.123 32.589 32.500 -0.056 0.000 0.917 148 K HN 1.720 nan 8.250 nan 0.000 0.478 149 G N 2.344 111.105 108.800 -0.065 0.000 2.212 149 G HA2 -0.269 3.688 3.960 -0.005 0.000 0.266 149 G HA3 -0.269 3.688 3.960 -0.005 0.000 0.266 149 G C 0.510 175.372 174.900 -0.063 0.000 0.978 149 G CA 0.105 45.169 45.100 -0.062 0.000 0.632 149 G HN 0.942 nan 8.290 nan 0.000 0.537 150 G N -0.509 108.251 108.800 -0.067 0.000 2.621 150 G HA2 0.567 4.524 3.960 -0.005 0.000 0.271 150 G HA3 0.567 4.524 3.960 -0.005 0.000 0.271 150 G C -0.249 174.583 174.900 -0.113 0.000 1.236 150 G CA -0.057 44.998 45.100 -0.074 0.000 0.958 150 G HN 0.474 nan 8.290 nan 0.000 0.512 151 K N -0.781 119.549 120.400 -0.117 0.000 2.345 151 K HA 0.573 4.890 4.320 -0.005 0.000 0.255 151 K C -1.018 175.465 176.600 -0.195 0.000 0.934 151 K CA -0.318 55.880 56.287 -0.148 0.000 0.801 151 K CB 2.242 34.681 32.500 -0.101 0.000 1.137 151 K HN 0.232 nan 8.250 nan 0.000 0.424 152 I N 1.215 121.632 120.570 -0.255 0.000 2.433 152 I HA 0.380 4.547 4.170 -0.005 0.000 0.292 152 I C 0.375 176.398 176.117 -0.157 0.000 1.001 152 I CA -0.392 60.730 61.300 -0.297 0.000 1.119 152 I CB 2.227 39.857 38.000 -0.617 0.000 1.289 152 I HN 0.680 nan 8.210 nan 0.000 0.438 153 G N 6.086 114.828 108.800 -0.096 0.000 2.393 153 G HA2 0.484 4.441 3.960 -0.005 0.000 0.311 153 G HA3 0.484 4.441 3.960 -0.005 0.000 0.311 153 G C -0.864 174.197 174.900 0.269 0.000 1.067 153 G CA -0.347 44.808 45.100 0.092 0.000 1.000 153 G HN 0.512 nan 8.290 nan 0.000 0.422 154 L N 4.124 125.502 121.223 0.257 0.000 2.259 154 L HA 0.662 4.999 4.340 -0.005 0.000 0.288 154 L C -1.121 175.988 176.870 0.398 0.000 1.051 154 L CA -0.831 54.188 54.840 0.299 0.000 0.824 154 L CB -0.122 42.070 42.059 0.222 0.000 1.206 154 L HN 0.260 nan 8.230 nan 0.000 0.429 155 F N 3.388 123.373 119.950 0.058 0.000 2.408 155 F HA 0.870 5.394 4.527 -0.005 0.000 0.325 155 F C 1.088 176.926 175.800 0.063 0.000 1.082 155 F CA -0.651 57.386 58.000 0.062 0.000 1.032 155 F CB 1.156 40.190 39.000 0.057 0.000 1.259 155 F HN 0.755 nan 8.300 nan 0.000 0.503 156 G N -0.007 108.932 108.800 0.232 0.000 2.692 156 G HA2 0.393 4.350 3.960 -0.005 0.000 0.686 156 G HA3 0.393 4.350 3.960 -0.005 0.000 0.686 156 G C -0.176 174.794 174.900 0.116 0.000 1.243 156 G CA -0.519 44.668 45.100 0.145 0.000 0.782 156 G HN 1.193 nan 8.290 nan 0.000 0.625 157 G N 0.189 109.043 108.800 0.090 0.000 2.844 157 G HA2 0.899 4.856 3.960 -0.005 0.000 0.204 157 G HA3 0.899 4.856 3.960 -0.005 0.000 0.204 157 G C 0.718 175.661 174.900 0.073 0.000 1.815 157 G CA 1.060 46.210 45.100 0.083 0.000 0.739 157 G HN 2.224 nan 8.290 nan 0.000 0.807 158 A N -1.274 121.583 122.820 0.061 0.000 2.286 158 A HA 0.582 4.899 4.320 -0.005 0.000 0.286 158 A C 1.514 179.130 177.584 0.054 0.000 1.097 158 A CA 0.905 52.975 52.037 0.054 0.000 0.821 158 A CB 0.162 19.189 19.000 0.045 0.000 1.076 158 A HN 2.339 nan 8.150 nan 0.000 0.490 159 G N -0.877 107.957 108.800 0.057 0.000 2.507 159 G HA2 -0.212 3.745 3.960 -0.005 0.000 0.240 159 G HA3 -0.212 3.745 3.960 -0.005 0.000 0.240 159 G C 0.589 175.545 174.900 0.093 0.000 1.119 159 G CA 0.880 46.020 45.100 0.067 0.000 0.664 159 G HN 2.186 nan 8.290 nan 0.000 0.516 160 V N -0.175 119.779 119.914 0.066 0.000 2.498 160 V HA 0.726 4.843 4.120 -0.005 0.000 0.279 160 V C 1.624 177.776 176.094 0.097 0.000 1.048 160 V CA 0.184 62.511 62.300 0.045 0.000 0.967 160 V CB 1.038 32.867 31.823 0.011 0.000 0.988 160 V HN 1.342 nan 8.190 nan 0.000 0.473 161 G N 2.625 111.521 108.800 0.160 0.000 3.241 161 G HA2 -0.171 3.786 3.960 -0.005 0.000 0.199 161 G HA3 -0.171 3.786 3.960 -0.005 0.000 0.199 161 G C 1.125 176.101 174.900 0.127 0.000 1.210 161 G CA 0.649 45.848 45.100 0.164 0.000 1.182 161 G HN 0.927 nan 8.290 nan 0.000 0.508 162 K N 0.508 120.972 120.400 0.107 0.000 2.032 162 K HA -0.260 4.057 4.320 -0.005 0.000 0.218 162 K C 2.724 179.377 176.600 0.087 0.000 1.054 162 K CA 2.252 58.604 56.287 0.108 0.000 0.941 162 K CB -0.585 31.975 32.500 0.099 0.000 0.720 162 K HN 0.496 nan 8.250 nan 0.000 0.449 163 T N -1.760 112.825 114.554 0.052 0.000 2.962 163 T HA -0.039 4.308 4.350 -0.005 0.000 0.270 163 T C 1.958 176.667 174.700 0.016 0.000 1.088 163 T CA 1.116 63.221 62.100 0.009 0.000 1.127 163 T CB -0.009 68.848 68.868 -0.019 0.000 0.883 163 T HN 0.048 nan 8.240 nan 0.000 0.493 164 V N 0.558 120.509 119.914 0.061 0.000 2.649 164 V HA 0.127 4.244 4.120 -0.005 0.000 0.248 164 V C 2.377 178.618 176.094 0.245 0.000 1.054 164 V CA 0.969 63.335 62.300 0.111 0.000 1.073 164 V CB -0.101 31.762 31.823 0.066 0.000 0.699 164 V HN 0.431 nan 8.190 nan 0.000 0.463 165 L N -0.260 121.127 121.223 0.274 0.000 2.109 165 L HA 0.003 4.340 4.340 -0.005 0.000 0.207 165 L C 2.043 179.009 176.870 0.160 0.000 1.086 165 L CA 1.837 56.879 54.840 0.337 0.000 0.760 165 L CB -0.407 41.837 42.059 0.308 0.000 0.910 165 L HN 0.210 nan 8.230 nan 0.000 0.437 166 I N -1.253 119.358 120.570 0.067 0.000 2.394 166 I HA -0.287 3.880 4.170 -0.005 0.000 0.251 166 I C 2.277 178.338 176.117 -0.092 0.000 1.136 166 I CA 1.263 62.492 61.300 -0.118 0.000 1.425 166 I CB -0.134 37.662 38.000 -0.341 0.000 1.079 166 I HN 0.307 nan 8.210 nan 0.000 0.425 167 M N -0.370 119.209 119.600 -0.035 0.000 2.388 167 M HA -0.142 4.335 4.480 -0.005 0.000 0.265 167 M C 2.111 178.407 176.300 -0.007 0.000 1.088 167 M CA 1.210 56.503 55.300 -0.012 0.000 1.134 167 M CB -0.119 32.478 32.600 -0.006 0.000 1.384 167 M HN 0.083 nan 8.290 nan 0.000 0.447 168 E N 1.146 121.306 120.200 -0.068 0.000 2.046 168 E HA -0.101 4.246 4.350 -0.005 0.000 0.190 168 E C 1.794 178.295 176.600 -0.166 0.000 0.982 168 E CA 1.091 57.332 56.400 -0.264 0.000 0.800 168 E CB -0.209 28.937 29.700 -0.922 0.000 0.756 168 E HN 0.396 nan 8.360 nan 0.000 0.449 169 L N 0.435 121.628 121.223 -0.050 0.000 1.990 169 L HA -0.253 4.084 4.340 -0.005 0.000 0.213 169 L C 2.514 179.470 176.870 0.143 0.000 1.072 169 L CA 1.500 56.394 54.840 0.089 0.000 0.755 169 L CB -0.604 41.642 42.059 0.311 0.000 0.889 169 L HN 0.260 nan 8.230 nan 0.000 0.432 170 I N -0.168 120.529 120.570 0.212 0.000 2.068 170 I HA -0.409 3.758 4.170 -0.005 0.000 0.238 170 I C 2.372 178.553 176.117 0.107 0.000 1.046 170 I CA 2.101 63.525 61.300 0.207 0.000 1.306 170 I CB -0.542 37.571 38.000 0.189 0.000 1.023 170 I HN 0.386 nan 8.210 nan 0.000 0.399 171 N N 1.302 120.033 118.700 0.052 0.000 2.011 171 N HA -0.251 4.486 4.740 -0.005 0.000 0.199 171 N C 1.494 177.005 175.510 0.000 0.000 1.047 171 N CA 2.237 55.298 53.050 0.018 0.000 0.863 171 N CB -0.200 38.279 38.487 -0.014 0.000 1.056 171 N HN 0.220 nan 8.380 nan 0.000 0.427 172 N N -0.471 118.209 118.700 -0.033 0.000 2.334 172 N HA -0.109 4.628 4.740 -0.005 0.000 0.187 172 N C 1.469 176.983 175.510 0.007 0.000 1.016 172 N CA 0.541 53.563 53.050 -0.047 0.000 0.879 172 N CB -0.309 38.124 38.487 -0.089 0.000 0.965 172 N HN 0.161 nan 8.380 nan 0.000 0.438 173 V N 0.618 120.577 119.914 0.074 0.000 2.407 173 V HA -0.049 4.068 4.120 -0.005 0.000 0.245 173 V C 2.247 178.387 176.094 0.076 0.000 1.041 173 V CA 1.446 63.840 62.300 0.157 0.000 1.040 173 V CB -0.748 31.160 31.823 0.142 0.000 0.671 173 V HN 0.291 nan 8.190 nan 0.000 0.455 174 A N -0.100 122.744 122.820 0.040 0.000 1.865 174 A HA -0.267 4.050 4.320 -0.005 0.000 0.217 174 A C 2.182 179.743 177.584 -0.038 0.000 1.191 174 A CA 2.293 54.328 52.037 -0.003 0.000 0.623 174 A CB -0.523 18.502 19.000 0.042 0.000 0.826 174 A HN 0.438 nan 8.150 nan 0.000 0.444 175 K N -0.167 120.209 120.400 -0.040 0.000 1.965 175 K HA -0.004 4.313 4.320 -0.005 0.000 0.218 175 K C 2.105 178.628 176.600 -0.128 0.000 1.048 175 K CA 1.842 58.087 56.287 -0.070 0.000 0.960 175 K CB -0.784 31.674 32.500 -0.069 0.000 0.732 175 K HN 0.394 nan 8.250 nan 0.000 0.444 176 A N -0.045 122.641 122.820 -0.223 0.000 2.168 176 A HA -0.081 4.236 4.320 -0.005 0.000 0.215 176 A C 0.758 178.013 177.584 -0.549 0.000 1.152 176 A CA 1.235 53.019 52.037 -0.423 0.000 0.716 176 A CB -0.354 18.292 19.000 -0.590 0.000 0.794 176 A HN 0.429 nan 8.150 nan 0.000 0.465 177 H N -2.394 116.642 119.070 -0.056 0.000 3.367 177 H HA 0.222 4.775 4.556 -0.004 0.000 0.257 177 H C 1.427 176.695 175.328 -0.100 0.000 1.201 177 H CA 0.235 56.245 56.048 -0.064 0.000 1.102 177 H CB 0.012 29.743 29.762 -0.053 0.000 1.656 177 H HN 0.536 nan 8.280 nan 0.000 0.662 178 G N 1.650 110.424 108.800 -0.043 0.000 2.269 178 G HA2 -0.272 3.685 3.960 -0.005 0.000 0.277 178 G HA3 -0.272 3.685 3.960 -0.005 0.000 0.277 178 G C 0.728 175.462 174.900 -0.277 0.000 1.008 178 G CA 0.568 45.579 45.100 -0.148 0.000 0.774 178 G HN 0.656 nan 8.290 nan 0.000 0.511 179 G N -1.331 107.370 108.800 -0.165 0.000 2.389 179 G HA2 0.612 4.569 3.960 -0.005 0.000 0.317 179 G HA3 0.612 4.569 3.960 -0.005 0.000 0.317 179 G C -0.422 174.346 174.900 -0.220 0.000 1.137 179 G CA -0.810 44.164 45.100 -0.209 0.000 0.870 179 G HN 0.148 nan 8.290 nan 0.000 0.496 180 Y N -0.052 120.184 120.300 -0.107 0.000 2.480 180 Y HA 0.641 5.187 4.550 -0.006 0.000 0.323 180 Y C 0.896 176.752 175.900 -0.073 0.000 1.267 180 Y CA -1.068 56.927 58.100 -0.174 0.000 1.336 180 Y CB 1.927 40.077 38.460 -0.517 0.000 1.361 180 Y HN 0.474 nan 8.280 nan 0.000 0.518 181 S N -0.195 115.608 115.700 0.172 0.000 2.570 181 S HA 0.774 5.241 4.470 -0.005 0.000 0.286 181 S C -1.253 173.467 174.600 0.200 0.000 1.099 181 S CA -0.915 57.393 58.200 0.181 0.000 0.913 181 S CB 1.882 65.239 63.200 0.263 0.000 1.085 181 S HN 0.300 nan 8.310 nan 0.000 0.480 182 V N 1.585 121.636 119.914 0.227 0.000 2.769 182 V HA 0.684 4.801 4.120 -0.005 0.000 0.312 182 V C -1.214 175.094 176.094 0.357 0.000 1.058 182 V CA -0.802 61.640 62.300 0.236 0.000 0.952 182 V CB 1.431 33.356 31.823 0.170 0.000 1.019 182 V HN 0.847 nan 8.190 nan 0.000 0.445 183 F N 2.284 122.328 119.950 0.158 0.000 2.539 183 F HA 0.783 5.307 4.527 -0.004 0.000 0.328 183 F C -0.008 175.879 175.800 0.145 0.000 1.148 183 F CA -0.619 57.497 58.000 0.195 0.000 0.940 183 F CB 1.188 40.277 39.000 0.149 0.000 1.194 183 F HN 0.649 nan 8.300 nan 0.000 0.438 184 A N 4.289 126.957 122.820 -0.254 0.000 2.258 184 A HA 0.670 4.987 4.320 -0.005 0.000 0.316 184 A C -0.005 177.429 177.584 -0.250 0.000 1.279 184 A CA -0.300 51.671 52.037 -0.109 0.000 0.876 184 A CB 0.321 19.265 19.000 -0.092 0.000 1.170 184 A HN 1.061 nan 8.150 nan 0.000 0.520 185 G N 1.705 110.606 108.800 0.168 0.000 2.475 185 G HA2 0.487 4.444 3.960 -0.005 0.000 0.322 185 G HA3 0.487 4.444 3.960 -0.005 0.000 0.322 185 G C -0.451 174.490 174.900 0.070 0.000 1.044 185 G CA -0.211 44.985 45.100 0.161 0.000 1.047 185 G HN 0.675 nan 8.290 nan 0.000 0.436 186 V N 2.631 122.556 119.914 0.018 0.000 2.353 186 V HA 0.558 4.675 4.120 -0.005 0.000 0.264 186 V C 1.216 177.330 176.094 0.034 0.000 1.049 186 V CA 0.467 62.792 62.300 0.043 0.000 0.896 186 V CB 0.478 32.342 31.823 0.068 0.000 1.025 186 V HN 1.326 nan 8.190 nan 0.000 0.475 187 G N 3.394 112.206 108.800 0.020 0.000 2.324 187 G HA2 -0.182 3.775 3.960 -0.005 0.000 0.292 187 G HA3 -0.182 3.775 3.960 -0.005 0.000 0.292 187 G C -0.058 174.829 174.900 -0.021 0.000 1.079 187 G CA -0.253 44.848 45.100 0.001 0.000 1.026 187 G HN 0.632 nan 8.290 nan 0.000 0.506 188 E N -0.108 120.056 120.200 -0.060 0.000 2.331 188 E HA 0.236 4.582 4.350 -0.005 0.000 0.272 188 E C 0.965 177.498 176.600 -0.112 0.000 1.036 188 E CA -0.508 55.824 56.400 -0.114 0.000 0.864 188 E CB 0.619 30.134 29.700 -0.307 0.000 1.035 188 E HN 0.507 nan 8.360 nan 0.000 0.408 189 R N 1.950 122.398 120.500 -0.086 0.000 2.296 189 R HA 0.098 4.435 4.340 -0.005 0.000 0.323 189 R C 1.265 177.516 176.300 -0.081 0.000 1.067 189 R CA -0.132 55.930 56.100 -0.063 0.000 0.946 189 R CB 0.142 30.420 30.300 -0.036 0.000 0.991 189 R HN 0.476 nan 8.270 nan 0.000 0.448 190 T N 2.112 116.625 114.554 -0.069 0.000 2.684 190 T HA -0.311 4.036 4.350 -0.005 0.000 0.267 190 T C 1.767 176.455 174.700 -0.021 0.000 1.032 190 T CA 1.900 63.969 62.100 -0.052 0.000 1.155 190 T CB -0.199 68.660 68.868 -0.015 0.000 0.857 190 T HN 0.572 nan 8.240 nan 0.000 0.457 191 R N 0.835 121.329 120.500 -0.009 0.000 2.080 191 R HA -0.118 4.219 4.340 -0.005 0.000 0.236 191 R C 2.342 178.652 176.300 0.017 0.000 1.137 191 R CA 1.787 57.894 56.100 0.012 0.000 0.943 191 R CB -0.143 30.161 30.300 0.007 0.000 0.846 191 R HN 0.523 nan 8.270 nan 0.000 0.431 192 E N -1.068 119.127 120.200 -0.009 0.000 2.268 192 E HA -0.100 4.247 4.350 -0.005 0.000 0.195 192 E C 1.771 178.360 176.600 -0.018 0.000 0.995 192 E CA 0.896 57.292 56.400 -0.006 0.000 0.836 192 E CB 0.010 29.701 29.700 -0.014 0.000 0.763 192 E HN 0.589 nan 8.360 nan 0.000 0.491 193 G N 1.987 110.740 108.800 -0.079 0.000 2.404 193 G HA2 -0.315 3.642 3.960 -0.005 0.000 0.213 193 G HA3 -0.315 3.642 3.960 -0.005 0.000 0.213 193 G C 1.363 176.382 174.900 0.199 0.000 1.189 193 G CA 0.819 45.864 45.100 -0.091 0.000 0.796 193 G HN 0.310 nan 8.290 nan 0.000 0.532 194 N N 0.564 119.380 118.700 0.193 0.000 2.192 194 N HA -0.134 4.603 4.740 -0.005 0.000 0.188 194 N C 1.494 177.217 175.510 0.354 0.000 1.013 194 N CA 1.760 55.000 53.050 0.317 0.000 0.863 194 N CB -0.204 38.428 38.487 0.242 0.000 0.990 194 N HN 0.190 nan 8.380 nan 0.000 0.430 195 D N -0.770 119.750 120.400 0.201 0.000 2.234 195 D HA -0.040 4.597 4.640 -0.005 0.000 0.205 195 D C 1.632 178.012 176.300 0.135 0.000 0.962 195 D CA 0.274 54.367 54.000 0.154 0.000 0.855 195 D CB -0.022 40.826 40.800 0.080 0.000 0.951 195 D HN 0.267 nan 8.370 nan 0.000 0.500 196 L N -0.357 120.937 121.223 0.119 0.000 2.095 196 L HA -0.046 4.291 4.340 -0.005 0.000 0.204 196 L C 1.893 178.816 176.870 0.087 0.000 1.080 196 L CA 1.310 56.173 54.840 0.037 0.000 0.759 196 L CB -0.737 41.285 42.059 -0.061 0.000 0.914 196 L HN 0.009 nan 8.230 nan 0.000 0.439 197 Y N 0.726 121.028 120.300 0.003 0.000 2.014 197 Y HA -0.342 4.205 4.550 -0.004 0.000 0.270 197 Y C 2.715 178.536 175.900 -0.131 0.000 1.145 197 Y CA 2.399 60.446 58.100 -0.090 0.000 1.106 197 Y CB -1.072 37.336 38.460 -0.087 0.000 0.968 197 Y HN 0.434 nan 8.280 nan 0.000 0.484 198 H N -0.516 118.491 119.070 -0.105 0.000 2.457 198 H HA -0.113 4.440 4.556 -0.005 0.000 0.297 198 H C 2.182 177.463 175.328 -0.078 0.000 1.092 198 H CA 1.636 57.574 56.048 -0.185 0.000 1.309 198 H CB -0.085 29.622 29.762 -0.092 0.000 1.382 198 H HN 0.528 nan 8.280 nan 0.000 0.535 199 E N -0.125 120.119 120.200 0.073 0.000 2.216 199 E HA -0.095 4.252 4.350 -0.005 0.000 0.192 199 E C 1.746 178.365 176.600 0.033 0.000 0.988 199 E CA 0.442 56.884 56.400 0.069 0.000 0.834 199 E CB 0.132 29.861 29.700 0.048 0.000 0.772 199 E HN 0.458 nan 8.360 nan 0.000 0.479 200 M N -0.003 119.586 119.600 -0.018 0.000 2.193 200 M HA -0.058 4.419 4.480 -0.005 0.000 0.265 200 M C 2.138 178.417 176.300 -0.035 0.000 1.071 200 M CA 0.936 56.219 55.300 -0.028 0.000 1.140 200 M CB -0.027 32.545 32.600 -0.047 0.000 1.369 200 M HN 0.154 nan 8.290 nan 0.000 0.423 201 I N 0.501 121.010 120.570 -0.102 0.000 2.091 201 I HA -0.337 3.830 4.170 -0.005 0.000 0.239 201 I C 2.128 178.214 176.117 -0.051 0.000 1.061 201 I CA 1.695 62.916 61.300 -0.132 0.000 1.317 201 I CB -0.432 37.392 38.000 -0.294 0.000 1.031 201 I HN 0.335 nan 8.210 nan 0.000 0.401 202 E N 0.136 120.330 120.200 -0.009 0.000 2.209 202 E HA -0.209 4.138 4.350 -0.005 0.000 0.196 202 E C 1.871 178.507 176.600 0.061 0.000 0.993 202 E CA 1.557 57.974 56.400 0.028 0.000 0.819 202 E CB -0.118 29.629 29.700 0.078 0.000 0.745 202 E HN 0.528 nan 8.360 nan 0.000 0.477 203 S N -1.422 114.330 115.700 0.086 0.000 2.577 203 S HA 0.284 4.751 4.470 -0.005 0.000 0.219 203 S C 1.506 176.137 174.600 0.052 0.000 0.962 203 S CA 0.297 58.561 58.200 0.108 0.000 0.921 203 S CB 0.733 64.010 63.200 0.128 0.000 0.789 203 S HN 0.366 nan 8.310 nan 0.000 0.497 204 G N 1.593 110.405 108.800 0.020 0.000 2.458 204 G HA2 -0.446 3.511 3.960 -0.005 0.000 0.237 204 G HA3 -0.446 3.511 3.960 -0.005 0.000 0.237 204 G C 1.188 176.089 174.900 0.002 0.000 1.113 204 G CA 0.684 45.787 45.100 0.005 0.000 0.655 204 G HN 1.458 nan 8.290 nan 0.000 0.513 205 V N -0.876 119.045 119.914 0.011 0.000 2.481 205 V HA -0.043 4.074 4.120 -0.005 0.000 0.263 205 V C 1.422 177.515 176.094 -0.002 0.000 1.108 205 V CA 2.237 64.545 62.300 0.013 0.000 1.113 205 V CB -0.632 31.203 31.823 0.020 0.000 0.684 205 V HN 0.674 nan 8.190 nan 0.000 0.467 206 I N 0.897 121.456 120.570 -0.019 0.000 2.474 206 I HA 0.499 4.666 4.170 -0.005 0.000 0.294 206 I C -0.184 175.908 176.117 -0.040 0.000 1.005 206 I CA -0.216 61.066 61.300 -0.029 0.000 1.113 206 I CB 1.766 39.748 38.000 -0.029 0.000 1.289 206 I HN 0.105 nan 8.210 nan 0.000 0.436 207 N N 5.788 124.468 118.700 -0.034 0.000 2.461 207 N HA 0.343 5.080 4.740 -0.005 0.000 0.284 207 N C 0.042 175.534 175.510 -0.030 0.000 1.049 207 N CA -0.334 52.696 53.050 -0.033 0.000 0.889 207 N CB 1.963 40.438 38.487 -0.021 0.000 1.365 207 N HN 0.540 nan 8.380 nan 0.000 0.499 208 L N 2.910 124.110 121.223 -0.037 0.000 2.341 208 L HA 0.111 4.448 4.340 -0.005 0.000 0.214 208 L C 2.096 178.958 176.870 -0.014 0.000 1.115 208 L CA 0.894 55.719 54.840 -0.024 0.000 0.820 208 L CB 0.147 42.184 42.059 -0.036 0.000 0.944 208 L HN 0.411 nan 8.230 nan 0.000 0.452 209 K N -0.362 120.029 120.400 -0.016 0.000 2.067 209 K HA -0.056 4.261 4.320 -0.005 0.000 0.203 209 K C 0.806 177.402 176.600 -0.007 0.000 1.048 209 K CA 1.119 57.400 56.287 -0.010 0.000 0.954 209 K CB 0.138 32.631 32.500 -0.011 0.000 0.737 209 K HN 0.382 nan 8.250 nan 0.000 0.444 210 D N -1.454 118.941 120.400 -0.008 0.000 2.443 210 D HA 0.229 4.866 4.640 -0.005 0.000 0.249 210 D C -0.440 175.856 176.300 -0.007 0.000 1.218 210 D CA -0.605 53.392 54.000 -0.005 0.000 1.108 210 D CB 0.206 41.005 40.800 -0.002 0.000 1.197 210 D HN -0.068 nan 8.370 nan 0.000 0.600 211 A N -0.903 121.915 122.820 -0.005 0.000 2.806 211 A HA 0.433 4.750 4.320 -0.005 0.000 0.266 211 A C 0.319 177.898 177.584 -0.009 0.000 0.926 211 A CA 0.092 52.123 52.037 -0.010 0.000 1.068 211 A CB -0.592 18.407 19.000 -0.001 0.000 1.189 211 A HN 0.547 nan 8.150 nan 0.000 0.481 212 T N -2.247 112.302 114.554 -0.009 0.000 3.174 212 T HA 0.232 4.579 4.350 -0.005 0.000 0.269 212 T C 0.410 175.105 174.700 -0.008 0.000 1.017 212 T CA 0.281 62.383 62.100 0.005 0.000 0.899 212 T CB -0.456 68.420 68.868 0.013 0.000 1.077 212 T HN 0.240 nan 8.240 nan 0.000 0.552 213 S N 2.196 117.871 115.700 -0.042 0.000 2.533 213 S HA 0.237 4.704 4.470 -0.005 0.000 0.282 213 S C 0.591 175.141 174.600 -0.084 0.000 1.304 213 S CA -0.689 57.478 58.200 -0.054 0.000 1.063 213 S CB 0.881 64.042 63.200 -0.066 0.000 0.881 213 S HN 0.528 nan 8.310 nan 0.000 0.493 214 K N 0.865 121.250 120.400 -0.024 0.000 2.399 214 K HA 0.289 4.606 4.320 -0.005 0.000 0.204 214 K C -0.672 175.935 176.600 0.011 0.000 1.023 214 K CA -0.054 56.248 56.287 0.025 0.000 1.127 214 K CB 0.216 32.788 32.500 0.120 0.000 0.856 214 K HN 0.444 nan 8.250 nan 0.000 0.514 215 V N -0.108 119.789 119.914 -0.028 0.000 2.888 215 V HA 0.665 4.782 4.120 -0.005 0.000 0.309 215 V C -1.003 175.084 176.094 -0.011 0.000 1.114 215 V CA -1.465 60.849 62.300 0.023 0.000 0.940 215 V CB 1.769 33.634 31.823 0.070 0.000 1.021 215 V HN 0.081 nan 8.190 nan 0.000 0.426 216 A N 4.176 127.015 122.820 0.031 0.000 2.318 216 A HA 0.909 5.226 4.320 -0.005 0.000 0.324 216 A C -0.833 176.767 177.584 0.026 0.000 1.170 216 A CA -0.588 51.456 52.037 0.011 0.000 0.810 216 A CB 0.939 19.967 19.000 0.048 0.000 1.198 216 A HN 0.844 nan 8.150 nan 0.000 0.484 217 L N 2.885 124.061 121.223 -0.078 0.000 2.307 217 L HA 0.551 4.888 4.340 -0.005 0.000 0.284 217 L C -0.828 175.922 176.870 -0.200 0.000 1.023 217 L CA -0.885 53.870 54.840 -0.143 0.000 0.810 217 L CB 1.654 43.466 42.059 -0.412 0.000 1.231 217 L HN 0.410 nan 8.230 nan 0.000 0.423 218 V N 3.153 123.046 119.914 -0.035 0.000 2.448 218 V HA 0.434 4.551 4.120 -0.005 0.000 0.295 218 V C -0.876 175.341 176.094 0.205 0.000 1.025 218 V CA -0.620 61.683 62.300 0.005 0.000 0.859 218 V CB 1.696 33.538 31.823 0.031 0.000 0.988 218 V HN 0.374 nan 8.190 nan 0.000 0.431 219 Y N 1.979 122.303 120.300 0.040 0.000 2.393 219 Y HA 0.733 5.280 4.550 -0.006 0.000 0.341 219 Y C 0.657 176.573 175.900 0.026 0.000 0.988 219 Y CA -1.702 56.428 58.100 0.049 0.000 1.078 219 Y CB 2.444 40.921 38.460 0.028 0.000 1.203 219 Y HN 0.653 nan 8.280 nan 0.000 0.453 220 G N 3.574 112.472 108.800 0.164 0.000 3.678 220 G HA2 0.375 4.332 3.960 -0.005 0.000 0.344 220 G HA3 0.375 4.332 3.960 -0.005 0.000 0.344 220 G C -0.592 174.320 174.900 0.021 0.000 1.450 220 G CA -0.548 44.597 45.100 0.076 0.000 1.078 220 G HN 0.564 nan 8.290 nan 0.000 0.474 221 Q N 0.762 120.564 119.800 0.004 0.000 2.474 221 Q HA 0.177 4.514 4.340 -0.005 0.000 0.256 221 Q C 1.706 177.694 176.000 -0.019 0.000 1.048 221 Q CA 0.122 55.904 55.803 -0.036 0.000 0.922 221 Q CB 1.144 29.866 28.738 -0.027 0.000 1.288 221 Q HN 0.537 nan 8.270 nan 0.000 0.484 222 M N 1.211 120.794 119.600 -0.029 0.000 2.446 222 M HA -0.170 4.307 4.480 -0.005 0.000 0.263 222 M C 0.834 177.127 176.300 -0.012 0.000 1.066 222 M CA 1.273 56.562 55.300 -0.019 0.000 1.087 222 M CB -0.203 32.383 32.600 -0.022 0.000 1.406 222 M HN 0.607 nan 8.290 nan 0.000 0.459 223 N N -0.267 118.427 118.700 -0.009 0.000 2.446 223 N HA -0.019 4.718 4.740 -0.005 0.000 0.179 223 N C 0.034 175.543 175.510 -0.001 0.000 1.054 223 N CA 0.108 53.155 53.050 -0.005 0.000 0.905 223 N CB -0.023 38.463 38.487 -0.002 0.000 0.973 223 N HN 0.455 nan 8.380 nan 0.000 0.448 224 E N 1.980 122.181 120.200 0.001 0.000 2.418 224 E HA 0.098 4.445 4.350 -0.005 0.000 0.261 224 E C -2.227 174.374 176.600 0.002 0.000 1.070 224 E CA -1.624 54.779 56.400 0.005 0.000 0.931 224 E CB 0.413 30.120 29.700 0.012 0.000 0.954 224 E HN 0.101 nan 8.360 nan 0.000 0.439 225 P HA -0.003 nan 4.420 nan 0.000 0.272 225 P C -2.159 175.140 177.300 -0.002 0.000 1.230 225 P CA -1.178 61.922 63.100 -0.000 0.000 0.788 225 P CB -0.034 31.667 31.700 0.003 0.000 0.949 226 P HA -0.272 nan 4.420 nan 0.000 0.218 226 P C 1.645 178.938 177.300 -0.011 0.000 1.165 226 P CA 2.444 65.534 63.100 -0.018 0.000 0.922 226 P CB -0.870 30.815 31.700 -0.025 0.000 0.794 227 G N -0.258 108.542 108.800 -0.000 0.000 2.469 227 G HA2 -0.281 3.676 3.960 -0.005 0.000 0.220 227 G HA3 -0.281 3.676 3.960 -0.005 0.000 0.220 227 G C 1.732 176.647 174.900 0.025 0.000 1.136 227 G CA 1.393 46.502 45.100 0.014 0.000 0.759 227 G HN 0.444 nan 8.290 nan 0.000 0.562 228 A N 0.856 123.688 122.820 0.021 0.000 1.872 228 A HA 0.065 4.382 4.320 -0.005 0.000 0.214 228 A C 2.406 180.009 177.584 0.033 0.000 1.187 228 A CA 1.334 53.386 52.037 0.025 0.000 0.614 228 A CB -0.288 18.724 19.000 0.020 0.000 0.826 228 A HN 0.363 nan 8.150 nan 0.000 0.442 229 R N -0.169 120.347 120.500 0.026 0.000 2.280 229 R HA 0.110 4.447 4.340 -0.005 0.000 0.207 229 R C 2.065 178.399 176.300 0.057 0.000 1.043 229 R CA 0.700 56.821 56.100 0.036 0.000 1.006 229 R CB -0.298 30.012 30.300 0.016 0.000 0.885 229 R HN 0.503 nan 8.270 nan 0.000 0.467 230 A N 1.251 124.095 122.820 0.039 0.000 1.874 230 A HA -0.034 4.283 4.320 -0.005 0.000 0.214 230 A C 1.946 179.613 177.584 0.138 0.000 1.189 230 A CA 0.682 52.742 52.037 0.038 0.000 0.615 230 A CB 0.064 19.061 19.000 -0.005 0.000 0.830 230 A HN 0.037 nan 8.150 nan 0.000 0.443 231 R N -0.002 120.558 120.500 0.099 0.000 2.140 231 R HA -0.018 4.319 4.340 -0.005 0.000 0.213 231 R C 2.127 178.455 176.300 0.048 0.000 1.059 231 R CA 1.355 57.503 56.100 0.080 0.000 1.000 231 R CB -1.628 28.690 30.300 0.029 0.000 0.910 231 R HN 0.589 nan 8.270 nan 0.000 0.455 232 V N -0.413 119.529 119.914 0.047 0.000 2.511 232 V HA -0.205 3.912 4.120 -0.005 0.000 0.257 232 V C 2.154 178.255 176.094 0.011 0.000 1.088 232 V CA 2.004 64.322 62.300 0.030 0.000 1.098 232 V CB -1.147 30.707 31.823 0.053 0.000 0.674 232 V HN 0.182 nan 8.190 nan 0.000 0.470 233 A N 0.141 122.972 122.820 0.019 0.000 2.067 233 A HA 0.203 4.520 4.320 -0.005 0.000 0.217 233 A C 2.163 179.685 177.584 -0.104 0.000 1.156 233 A CA 1.430 53.416 52.037 -0.085 0.000 0.683 233 A CB -0.402 18.461 19.000 -0.229 0.000 0.808 233 A HN 0.589 nan 8.150 nan 0.000 0.455 234 L N -1.197 119.991 121.223 -0.058 0.000 2.044 234 L HA -0.122 4.215 4.340 -0.005 0.000 0.205 234 L C 2.745 179.564 176.870 -0.086 0.000 1.075 234 L CA 1.667 56.460 54.840 -0.079 0.000 0.747 234 L CB -1.191 40.815 42.059 -0.088 0.000 0.903 234 L HN 0.272 nan 8.230 nan 0.000 0.435 235 T N 0.150 114.656 114.554 -0.080 0.000 2.653 235 T HA -0.208 4.139 4.350 -0.005 0.000 0.268 235 T C 1.800 176.470 174.700 -0.051 0.000 1.035 235 T CA 1.753 63.809 62.100 -0.073 0.000 1.154 235 T CB -0.617 68.217 68.868 -0.057 0.000 0.862 235 T HN 0.597 nan 8.240 nan 0.000 0.441 236 G N 1.010 109.788 108.800 -0.037 0.000 2.440 236 G HA2 -0.163 3.794 3.960 -0.005 0.000 0.218 236 G HA3 -0.163 3.794 3.960 -0.005 0.000 0.218 236 G C 1.504 176.392 174.900 -0.019 0.000 1.154 236 G CA 0.715 45.805 45.100 -0.017 0.000 0.767 236 G HN 0.385 nan 8.290 nan 0.000 0.552 237 L N 0.997 122.190 121.223 -0.050 0.000 2.012 237 L HA -0.035 4.302 4.340 -0.005 0.000 0.210 237 L C 3.010 179.866 176.870 -0.024 0.000 1.073 237 L CA 2.423 57.234 54.840 -0.049 0.000 0.748 237 L CB -1.135 40.878 42.059 -0.077 0.000 0.891 237 L HN 0.196 nan 8.230 nan 0.000 0.431 238 T N -1.123 113.410 114.554 -0.035 0.000 2.635 238 T HA -0.222 4.125 4.350 -0.005 0.000 0.267 238 T C 1.971 176.664 174.700 -0.012 0.000 1.040 238 T CA 1.871 63.954 62.100 -0.028 0.000 1.156 238 T CB -0.422 68.416 68.868 -0.051 0.000 0.863 238 T HN 0.182 nan 8.240 nan 0.000 0.430 239 V N 1.599 121.504 119.914 -0.015 0.000 2.231 239 V HA -0.250 3.867 4.120 -0.005 0.000 0.248 239 V C 2.859 178.997 176.094 0.072 0.000 1.054 239 V CA 2.023 64.320 62.300 -0.006 0.000 1.015 239 V CB -1.305 30.537 31.823 0.032 0.000 0.638 239 V HN 0.576 nan 8.190 nan 0.000 0.444 240 A N -0.751 122.147 122.820 0.129 0.000 1.917 240 A HA -0.318 3.999 4.320 -0.005 0.000 0.219 240 A C 2.128 179.796 177.584 0.140 0.000 1.182 240 A CA 2.251 54.406 52.037 0.196 0.000 0.633 240 A CB -0.671 18.397 19.000 0.114 0.000 0.819 240 A HN 0.662 nan 8.150 nan 0.000 0.448 241 E N -1.869 118.367 120.200 0.061 0.000 2.160 241 E HA -0.240 4.107 4.350 -0.005 0.000 0.195 241 E C 1.744 178.354 176.600 0.017 0.000 0.991 241 E CA 1.473 57.891 56.400 0.029 0.000 0.810 241 E CB -0.308 29.397 29.700 0.008 0.000 0.742 241 E HN 0.837 nan 8.360 nan 0.000 0.466 242 Y N 0.367 120.577 120.300 -0.150 0.000 2.114 242 Y HA -0.234 4.312 4.550 -0.007 0.000 0.284 242 Y C 1.501 177.255 175.900 -0.243 0.000 1.143 242 Y CA 1.503 59.443 58.100 -0.268 0.000 1.135 242 Y CB -0.380 37.792 38.460 -0.480 0.000 0.980 242 Y HN -0.055 nan 8.280 nan 0.000 0.499 243 F N 0.668 120.783 119.950 0.277 0.000 2.724 243 F HA -0.023 4.503 4.527 -0.002 0.000 0.297 243 F C 2.387 178.187 175.800 -0.001 0.000 1.200 243 F CA 1.249 59.348 58.000 0.165 0.000 1.468 243 F CB -0.442 38.744 39.000 0.310 0.000 1.116 243 F HN 0.142 nan 8.300 nan 0.000 0.599 244 R N -0.360 120.163 120.500 0.039 0.000 2.302 244 R HA 0.038 4.375 4.340 -0.005 0.000 0.187 244 R C 1.086 177.343 176.300 -0.073 0.000 0.904 244 R CA 0.426 56.525 56.100 -0.001 0.000 1.105 244 R CB 0.145 30.453 30.300 0.015 0.000 1.239 244 R HN 0.015 nan 8.270 nan 0.000 0.620 245 D N 0.384 120.717 120.400 -0.112 0.000 2.348 245 D HA -0.016 4.621 4.640 -0.005 0.000 0.211 245 D C 1.276 177.463 176.300 -0.189 0.000 0.998 245 D CA 0.645 54.574 54.000 -0.120 0.000 0.873 245 D CB 0.599 41.349 40.800 -0.083 0.000 0.925 245 D HN 0.141 nan 8.370 nan 0.000 0.524 246 Q N -0.237 119.352 119.800 -0.352 0.000 2.322 246 Q HA 0.159 4.496 4.340 -0.005 0.000 0.250 246 Q C 0.738 176.525 176.000 -0.356 0.000 0.853 246 Q CA 0.448 55.973 55.803 -0.463 0.000 0.951 246 Q CB 1.149 29.263 28.738 -1.040 0.000 1.114 246 Q HN 0.367 nan 8.270 nan 0.000 0.523 247 E N -0.722 119.312 120.200 -0.277 0.000 2.743 247 E HA 0.201 4.548 4.350 -0.005 0.000 0.222 247 E C 0.113 176.696 176.600 -0.028 0.000 0.959 247 E CA 0.107 56.453 56.400 -0.089 0.000 1.198 247 E CB 1.153 30.884 29.700 0.051 0.000 1.100 247 E HN 0.267 nan 8.360 nan 0.000 0.518 248 G N 2.995 111.764 108.800 -0.051 0.000 2.441 248 G HA2 -0.336 3.621 3.960 -0.005 0.000 0.298 248 G HA3 -0.336 3.621 3.960 -0.005 0.000 0.298 248 G C 0.172 175.066 174.900 -0.010 0.000 0.949 248 G CA 1.011 46.093 45.100 -0.030 0.000 1.072 248 G HN 0.241 nan 8.290 nan 0.000 0.512 249 Q N -0.835 118.976 119.800 0.018 0.000 2.173 249 Q HA 0.481 4.818 4.340 -0.005 0.000 0.186 249 Q C -0.674 175.322 176.000 -0.005 0.000 1.018 249 Q CA -0.732 55.072 55.803 0.001 0.000 1.064 249 Q CB 0.701 29.442 28.738 0.005 0.000 1.130 249 Q HN 0.208 nan 8.270 nan 0.000 0.553 250 D N 0.900 121.283 120.400 -0.028 0.000 2.477 250 D HA 0.275 4.912 4.640 -0.005 0.000 0.239 250 D C -0.987 175.293 176.300 -0.033 0.000 1.102 250 D CA -0.135 53.831 54.000 -0.057 0.000 0.901 250 D CB 1.008 41.730 40.800 -0.130 0.000 1.026 250 D HN 0.111 nan 8.370 nan 0.000 0.515 251 V N 1.511 121.433 119.914 0.014 0.000 3.083 251 V HA 0.370 4.487 4.120 -0.005 0.000 0.306 251 V C 0.576 176.659 176.094 -0.018 0.000 1.077 251 V CA -0.758 61.574 62.300 0.054 0.000 1.073 251 V CB 1.438 33.347 31.823 0.143 0.000 1.081 251 V HN 0.350 nan 8.190 nan 0.000 0.474 252 L N 2.780 123.986 121.223 -0.028 0.000 2.333 252 L HA 0.560 4.897 4.340 -0.005 0.000 0.280 252 L C -1.024 175.727 176.870 -0.198 0.000 1.004 252 L CA -0.582 54.159 54.840 -0.164 0.000 0.820 252 L CB 1.693 43.634 42.059 -0.197 0.000 1.247 252 L HN 0.508 nan 8.230 nan 0.000 0.416 253 L N 3.916 124.963 121.223 -0.295 0.000 2.333 253 L HA 0.580 4.917 4.340 -0.005 0.000 0.280 253 L C -1.438 175.222 176.870 -0.349 0.000 1.004 253 L CA 0.161 54.873 54.840 -0.212 0.000 0.820 253 L CB 1.360 43.337 42.059 -0.136 0.000 1.247 253 L HN 0.239 nan 8.230 nan 0.000 0.416 254 F N 6.021 125.923 119.950 -0.081 0.000 2.427 254 F HA 0.546 5.070 4.527 -0.004 0.000 0.348 254 F C -0.294 175.287 175.800 -0.364 0.000 1.125 254 F CA -0.405 57.497 58.000 -0.163 0.000 0.989 254 F CB 1.354 40.307 39.000 -0.078 0.000 1.165 254 F HN 0.224 nan 8.300 nan 0.000 0.442 255 I N 3.372 123.878 120.570 -0.107 0.000 2.354 255 I HA 0.285 4.452 4.170 -0.005 0.000 0.286 255 I C -0.827 175.207 176.117 -0.137 0.000 1.007 255 I CA -0.276 60.910 61.300 -0.189 0.000 1.167 255 I CB 1.175 39.064 38.000 -0.185 0.000 1.320 255 I HN 0.354 nan 8.210 nan 0.000 0.458 256 D N 5.715 125.989 120.400 -0.210 0.000 2.462 256 D HA 0.283 4.920 4.640 -0.005 0.000 0.245 256 D C -0.948 175.353 176.300 0.002 0.000 1.122 256 D CA -0.438 53.528 54.000 -0.057 0.000 0.864 256 D CB 1.060 41.862 40.800 0.003 0.000 1.098 256 D HN 0.598 nan 8.370 nan 0.000 0.541 257 N N 2.171 120.904 118.700 0.055 0.000 2.272 257 N HA 0.213 4.950 4.740 -0.005 0.000 0.305 257 N C 0.589 176.171 175.510 0.120 0.000 1.103 257 N CA -0.732 52.371 53.050 0.089 0.000 0.791 257 N CB 1.323 39.889 38.487 0.131 0.000 1.356 257 N HN 0.144 nan 8.380 nan 0.000 0.486 258 I N 0.978 121.614 120.570 0.109 0.000 2.502 258 I HA -0.093 4.074 4.170 -0.005 0.000 0.258 258 I C 1.205 177.466 176.117 0.241 0.000 1.172 258 I CA 1.152 62.528 61.300 0.127 0.000 1.430 258 I CB -0.495 37.545 38.000 0.067 0.000 1.086 258 I HN 0.744 nan 8.210 nan 0.000 0.440 259 F N 1.138 121.176 119.950 0.146 0.000 2.206 259 F HA -0.073 4.452 4.527 -0.004 0.000 0.298 259 F C 2.414 178.305 175.800 0.152 0.000 1.090 259 F CA 1.335 59.441 58.000 0.178 0.000 1.323 259 F CB -0.328 38.831 39.000 0.264 0.000 1.028 259 F HN -0.091 nan 8.300 nan 0.000 0.492 260 R N -0.873 119.678 120.500 0.086 0.000 2.285 260 R HA -0.129 4.208 4.340 -0.005 0.000 0.213 260 R C 1.979 178.262 176.300 -0.028 0.000 1.068 260 R CA 1.009 57.090 56.100 -0.032 0.000 1.004 260 R CB -0.628 29.706 30.300 0.056 0.000 0.873 260 R HN 0.388 nan 8.270 nan 0.000 0.467 261 F N 1.190 121.074 119.950 -0.111 0.000 2.098 261 F HA -0.116 4.406 4.527 -0.008 0.000 0.294 261 F C 2.027 177.757 175.800 -0.116 0.000 1.107 261 F CA 1.519 59.466 58.000 -0.089 0.000 1.234 261 F CB -0.611 38.350 39.000 -0.065 0.000 1.002 261 F HN -0.212 nan 8.300 nan 0.000 0.472 262 T N 0.596 114.944 114.554 -0.344 0.000 2.684 262 T HA -0.203 4.144 4.350 -0.005 0.000 0.267 262 T C 1.876 176.376 174.700 -0.334 0.000 1.036 262 T CA 1.643 63.505 62.100 -0.397 0.000 1.148 262 T CB -0.266 68.441 68.868 -0.269 0.000 0.863 262 T HN 0.206 nan 8.240 nan 0.000 0.436 263 Q N 0.734 120.283 119.800 -0.419 0.000 2.084 263 Q HA 0.047 4.384 4.340 -0.005 0.000 0.202 263 Q C 2.645 178.526 176.000 -0.198 0.000 0.978 263 Q CA 1.683 57.302 55.803 -0.306 0.000 0.844 263 Q CB -0.950 27.567 28.738 -0.368 0.000 0.898 263 Q HN 0.573 nan 8.270 nan 0.000 0.426 264 A N 0.265 122.964 122.820 -0.201 0.000 1.940 264 A HA -0.107 4.210 4.320 -0.005 0.000 0.219 264 A C 2.288 179.771 177.584 -0.169 0.000 1.176 264 A CA 1.825 53.775 52.037 -0.145 0.000 0.631 264 A CB -1.045 17.892 19.000 -0.105 0.000 0.814 264 A HN 0.458 nan 8.150 nan 0.000 0.446 265 G N -0.643 107.994 108.800 -0.270 0.000 2.459 265 G HA2 -0.188 3.769 3.960 -0.005 0.000 0.217 265 G HA3 -0.188 3.769 3.960 -0.005 0.000 0.217 265 G C 1.852 176.672 174.900 -0.132 0.000 1.183 265 G CA 1.319 46.269 45.100 -0.249 0.000 0.776 265 G HN 0.487 nan 8.290 nan 0.000 0.552 266 S N 0.763 116.404 115.700 -0.098 0.000 2.359 266 S HA -0.120 4.347 4.470 -0.005 0.000 0.224 266 S C 2.193 176.758 174.600 -0.059 0.000 1.035 266 S CA 1.636 59.806 58.200 -0.050 0.000 1.018 266 S CB -0.302 62.873 63.200 -0.043 0.000 0.876 266 S HN 0.631 nan 8.310 nan 0.000 0.448 267 E N 0.626 120.784 120.200 -0.070 0.000 2.058 267 E HA -0.135 4.212 4.350 -0.005 0.000 0.194 267 E C 2.153 178.727 176.600 -0.043 0.000 0.997 267 E CA 1.409 57.778 56.400 -0.053 0.000 0.801 267 E CB -0.402 29.267 29.700 -0.052 0.000 0.746 267 E HN 0.277 nan 8.360 nan 0.000 0.450 268 V N 1.165 121.049 119.914 -0.050 0.000 2.287 268 V HA -0.291 3.825 4.120 -0.005 0.000 0.248 268 V C 2.504 178.580 176.094 -0.031 0.000 1.053 268 V CA 1.977 64.255 62.300 -0.037 0.000 1.027 268 V CB -0.580 31.218 31.823 -0.040 0.000 0.646 268 V HN 0.275 nan 8.190 nan 0.000 0.447 269 S N -0.227 115.450 115.700 -0.038 0.000 2.353 269 S HA -0.245 4.222 4.470 -0.005 0.000 0.222 269 S C 2.186 176.774 174.600 -0.021 0.000 1.035 269 S CA 1.835 60.019 58.200 -0.027 0.000 1.025 269 S CB -0.465 62.720 63.200 -0.026 0.000 0.902 269 S HN 0.639 nan 8.310 nan 0.000 0.440 270 A N 1.645 124.451 122.820 -0.024 0.000 1.917 270 A HA -0.051 4.266 4.320 -0.005 0.000 0.219 270 A C 2.207 179.782 177.584 -0.016 0.000 1.182 270 A CA 1.721 53.745 52.037 -0.021 0.000 0.633 270 A CB -0.907 18.077 19.000 -0.027 0.000 0.819 270 A HN 0.613 nan 8.150 nan 0.000 0.448 271 L N -1.002 120.211 121.223 -0.017 0.000 2.131 271 L HA -0.101 4.236 4.340 -0.005 0.000 0.210 271 L C 1.674 178.540 176.870 -0.007 0.000 1.092 271 L CA 0.768 55.602 54.840 -0.011 0.000 0.759 271 L CB -0.563 41.489 42.059 -0.011 0.000 0.903 271 L HN 0.336 nan 8.230 nan 0.000 0.435 272 L N 0.360 121.578 121.223 -0.007 0.000 2.660 272 L HA 0.160 4.497 4.340 -0.005 0.000 0.238 272 L C 1.331 178.199 176.870 -0.003 0.000 1.161 272 L CA 0.129 54.967 54.840 -0.003 0.000 0.937 272 L CB -0.700 41.357 42.059 -0.003 0.000 1.122 272 L HN 0.421 nan 8.230 nan 0.000 0.435 273 G N 1.064 109.861 108.800 -0.005 0.000 2.258 273 G HA2 -0.324 3.633 3.960 -0.005 0.000 0.274 273 G HA3 -0.324 3.633 3.960 -0.005 0.000 0.274 273 G C 0.290 175.187 174.900 -0.004 0.000 1.021 273 G CA 0.153 45.250 45.100 -0.004 0.000 0.798 273 G HN 0.501 nan 8.290 nan 0.000 0.507 274 R N -0.665 119.832 120.500 -0.005 0.000 2.349 274 R HA 0.558 4.895 4.340 -0.005 0.000 0.299 274 R C 0.863 177.161 176.300 -0.003 0.000 1.027 274 R CA -1.002 55.096 56.100 -0.003 0.000 0.958 274 R CB 1.260 31.557 30.300 -0.004 0.000 1.047 274 R HN 0.267 nan 8.270 nan 0.000 0.468 275 I N 4.626 125.196 120.570 -0.001 0.000 2.742 275 I HA -0.039 4.128 4.170 -0.005 0.000 0.287 275 I C -1.712 174.408 176.117 0.004 0.000 1.186 275 I CA -1.186 60.114 61.300 0.001 0.000 1.417 275 I CB 0.028 38.029 38.000 0.002 0.000 1.377 275 I HN 0.274 nan 8.210 nan 0.000 0.556 276 P HA 0.102 nan 4.420 nan 0.000 0.272 276 P C -0.372 176.943 177.300 0.024 0.000 1.240 276 P CA -0.342 62.763 63.100 0.009 0.000 0.791 276 P CB 0.698 32.392 31.700 -0.010 0.000 0.978 277 S N -0.248 115.482 115.700 0.050 0.000 2.694 277 S HA 0.714 5.181 4.470 -0.005 0.000 0.286 277 S C -0.045 174.597 174.600 0.070 0.000 1.080 277 S CA -0.668 57.565 58.200 0.054 0.000 0.953 277 S CB -0.242 62.991 63.200 0.054 0.000 1.313 277 S HN 0.540 nan 8.310 nan 0.000 0.555 278 A N 0.376 123.243 122.820 0.079 0.000 2.598 278 A HA 0.405 4.722 4.320 -0.005 0.000 0.239 278 A C 1.111 178.777 177.584 0.137 0.000 1.032 278 A CA 0.270 52.359 52.037 0.087 0.000 0.760 278 A CB -1.311 17.739 19.000 0.083 0.000 0.946 278 A HN 1.836 nan 8.150 nan 0.000 0.512 279 V N 1.353 121.317 119.914 0.083 0.000 2.666 279 V HA -0.324 3.793 4.120 -0.005 0.000 0.147 279 V C 1.939 177.970 176.094 -0.105 0.000 0.450 279 V CA 1.806 64.132 62.300 0.043 0.000 1.232 279 V CB -2.392 29.531 31.823 0.165 0.000 1.437 279 V HN 2.978 nan 8.190 nan 0.000 1.056 280 G N -2.748 106.013 108.800 -0.064 0.000 2.199 280 G HA2 -0.343 3.614 3.960 -0.005 0.000 0.254 280 G HA3 -0.343 3.614 3.960 -0.005 0.000 0.254 280 G C -0.045 174.755 174.900 -0.168 0.000 0.982 280 G CA 0.401 45.421 45.100 -0.134 0.000 0.632 280 G HN 0.842 nan 8.290 nan 0.000 0.529 281 Y N 1.729 122.032 120.300 0.006 0.000 2.220 281 Y HA 0.412 4.958 4.550 -0.005 0.000 0.347 281 Y C 1.495 177.381 175.900 -0.023 0.000 1.311 281 Y CA 0.215 58.307 58.100 -0.013 0.000 1.593 281 Y CB 0.242 38.700 38.460 -0.003 0.000 1.419 281 Y HN 0.410 nan 8.280 nan 0.000 0.614 282 Q N 1.257 121.157 119.800 0.166 0.000 2.373 282 Q HA 0.142 4.479 4.340 -0.005 0.000 0.255 282 Q C -2.395 173.639 176.000 0.057 0.000 0.980 282 Q CA -1.768 54.073 55.803 0.063 0.000 0.882 282 Q CB 0.827 29.574 28.738 0.015 0.000 1.249 282 Q HN 0.325 nan 8.270 nan 0.000 0.438 283 P HA -0.116 nan 4.420 nan 0.000 0.216 283 P C 0.890 178.200 177.300 0.017 0.000 1.150 283 P CA 1.764 64.879 63.100 0.025 0.000 0.837 283 P CB -0.065 31.643 31.700 0.013 0.000 0.786 284 T N -3.581 110.977 114.554 0.007 0.000 3.312 284 T HA 0.162 4.509 4.350 -0.005 0.000 0.251 284 T C 1.322 176.020 174.700 -0.005 0.000 1.012 284 T CA -0.333 61.767 62.100 0.001 0.000 0.925 284 T CB -0.988 67.874 68.868 -0.010 0.000 1.049 284 T HN -0.130 nan 8.240 nan 0.000 0.583 285 L N 1.701 122.923 121.223 -0.002 0.000 2.021 285 L HA -0.017 4.319 4.340 -0.005 0.000 0.215 285 L C 2.647 179.515 176.870 -0.003 0.000 1.074 285 L CA 2.343 57.167 54.840 -0.026 0.000 0.760 285 L CB -0.997 41.035 42.059 -0.045 0.000 0.889 285 L HN 0.378 nan 8.230 nan 0.000 0.433 286 A N -1.603 121.229 122.820 0.020 0.000 2.014 286 A HA -0.139 4.178 4.320 -0.005 0.000 0.218 286 A C 2.301 179.931 177.584 0.075 0.000 1.163 286 A CA 1.933 54.004 52.037 0.057 0.000 0.652 286 A CB -1.123 17.907 19.000 0.048 0.000 0.808 286 A HN 0.668 nan 8.150 nan 0.000 0.449 287 T N -2.996 111.587 114.554 0.047 0.000 2.976 287 T HA -0.063 4.284 4.350 -0.005 0.000 0.257 287 T C 1.328 176.061 174.700 0.054 0.000 1.051 287 T CA 1.089 63.218 62.100 0.049 0.000 1.141 287 T CB -0.380 68.504 68.868 0.027 0.000 0.881 287 T HN 0.265 nan 8.240 nan 0.000 0.461 288 D N 1.047 121.467 120.400 0.033 0.000 2.190 288 D HA -0.074 4.563 4.640 -0.005 0.000 0.200 288 D C 1.861 178.247 176.300 0.144 0.000 0.992 288 D CA 1.216 55.237 54.000 0.035 0.000 0.854 288 D CB -0.287 40.469 40.800 -0.075 0.000 0.936 288 D HN 0.403 nan 8.370 nan 0.000 0.462 289 M N 0.186 119.868 119.600 0.137 0.000 2.216 289 M HA 0.115 4.592 4.480 -0.005 0.000 0.264 289 M C 2.008 178.310 176.300 0.004 0.000 1.080 289 M CA 1.828 57.232 55.300 0.173 0.000 1.153 289 M CB -0.562 32.118 32.600 0.133 0.000 1.356 289 M HN -0.061 nan 8.290 nan 0.000 0.432 290 G N -0.763 108.073 108.800 0.060 0.000 2.421 290 G HA2 -0.250 3.707 3.960 -0.005 0.000 0.216 290 G HA3 -0.250 3.707 3.960 -0.005 0.000 0.216 290 G C 1.466 176.385 174.900 0.033 0.000 1.171 290 G CA 1.636 46.779 45.100 0.072 0.000 0.775 290 G HN 0.614 nan 8.290 nan 0.000 0.543 291 T N -1.818 112.768 114.554 0.055 0.000 2.977 291 T HA -0.025 4.322 4.350 -0.005 0.000 0.271 291 T C 2.085 176.804 174.700 0.033 0.000 1.105 291 T CA 1.536 63.667 62.100 0.051 0.000 1.116 291 T CB -0.051 68.856 68.868 0.064 0.000 0.878 291 T HN 0.190 nan 8.240 nan 0.000 0.509 292 M N -0.076 119.529 119.600 0.009 0.000 2.553 292 M HA 0.130 4.607 4.480 -0.005 0.000 0.255 292 M C 2.158 178.371 176.300 -0.146 0.000 1.181 292 M CA 0.979 56.240 55.300 -0.065 0.000 1.210 292 M CB -0.429 32.108 32.600 -0.105 0.000 1.280 292 M HN 0.056 nan 8.290 nan 0.000 0.495 293 Q N 1.315 120.973 119.800 -0.235 0.000 2.133 293 Q HA -0.183 4.154 4.340 -0.005 0.000 0.208 293 Q C 1.746 177.664 176.000 -0.136 0.000 0.991 293 Q CA 1.644 57.271 55.803 -0.294 0.000 0.867 293 Q CB -0.662 27.646 28.738 -0.718 0.000 0.911 293 Q HN 0.571 nan 8.270 nan 0.000 0.417 294 E N -0.009 120.152 120.200 -0.064 0.000 2.268 294 E HA -0.123 4.224 4.350 -0.005 0.000 0.195 294 E C 1.661 178.258 176.600 -0.005 0.000 0.995 294 E CA 0.387 56.792 56.400 0.009 0.000 0.836 294 E CB -0.064 29.667 29.700 0.052 0.000 0.763 294 E HN 0.346 nan 8.360 nan 0.000 0.491 295 R N 0.184 120.668 120.500 -0.027 0.000 2.323 295 R HA 0.139 4.476 4.340 -0.005 0.000 0.198 295 R C 0.610 176.887 176.300 -0.039 0.000 0.988 295 R CA 0.193 56.278 56.100 -0.025 0.000 1.041 295 R CB 0.171 30.454 30.300 -0.028 0.000 0.926 295 R HN 0.041 nan 8.270 nan 0.000 0.476 296 I N 1.731 122.270 120.570 -0.052 0.000 2.337 296 I HA 0.154 4.321 4.170 -0.005 0.000 0.285 296 I C -0.298 175.792 176.117 -0.045 0.000 1.041 296 I CA -0.083 61.180 61.300 -0.062 0.000 1.199 296 I CB 1.305 39.249 38.000 -0.093 0.000 1.370 296 I HN 0.079 nan 8.210 nan 0.000 0.470 297 T N 0.032 114.561 114.554 -0.041 0.000 2.677 297 T HA 0.249 4.596 4.350 -0.005 0.000 0.305 297 T C -0.486 174.189 174.700 -0.040 0.000 1.569 297 T CA -0.893 61.185 62.100 -0.037 0.000 0.984 297 T CB 1.294 70.147 68.868 -0.025 0.000 1.629 297 T HN 0.154 nan 8.240 nan 0.000 0.494 298 T N 2.801 117.329 114.554 -0.043 0.000 2.811 298 T HA 0.581 4.928 4.350 -0.005 0.000 0.309 298 T C 0.742 175.414 174.700 -0.047 0.000 1.005 298 T CA -0.499 61.574 62.100 -0.046 0.000 0.955 298 T CB 0.065 68.904 68.868 -0.048 0.000 0.970 298 T HN 0.923 nan 8.240 nan 0.000 0.496 299 T N 0.691 115.219 114.554 -0.042 0.000 2.852 299 T HA 0.416 4.763 4.350 -0.005 0.000 0.281 299 T C 1.398 176.071 174.700 -0.045 0.000 0.993 299 T CA -0.916 61.157 62.100 -0.044 0.000 0.933 299 T CB 1.170 70.017 68.868 -0.036 0.000 1.187 299 T HN 0.293 nan 8.240 nan 0.000 0.559 300 K N -0.002 120.371 120.400 -0.045 0.000 2.147 300 K HA -0.017 4.300 4.320 -0.005 0.000 0.205 300 K C 2.362 178.940 176.600 -0.036 0.000 1.049 300 K CA 1.182 57.445 56.287 -0.041 0.000 0.936 300 K CB -0.098 32.378 32.500 -0.041 0.000 0.722 300 K HN 0.502 nan 8.250 nan 0.000 0.446 301 K N -0.617 119.761 120.400 -0.037 0.000 2.057 301 K HA -0.020 4.297 4.320 -0.005 0.000 0.206 301 K C 1.152 177.731 176.600 -0.035 0.000 1.050 301 K CA 1.088 57.353 56.287 -0.037 0.000 0.935 301 K CB 0.243 32.717 32.500 -0.044 0.000 0.715 301 K HN 0.277 nan 8.250 nan 0.000 0.439 302 G N -0.579 108.201 108.800 -0.034 0.000 2.512 302 G HA2 0.298 4.255 3.960 -0.005 0.000 0.186 302 G HA3 0.298 4.255 3.960 -0.005 0.000 0.186 302 G C -1.534 173.344 174.900 -0.035 0.000 1.189 302 G CA -0.111 44.970 45.100 -0.032 0.000 0.994 302 G HN 0.164 nan 8.290 nan 0.000 0.506 303 S N -1.131 114.549 115.700 -0.034 0.000 2.543 303 S HA 0.663 5.130 4.470 -0.005 0.000 0.274 303 S C -1.378 173.199 174.600 -0.037 0.000 1.149 303 S CA -0.776 57.399 58.200 -0.041 0.000 0.866 303 S CB 1.334 64.499 63.200 -0.058 0.000 1.111 303 S HN 0.868 nan 8.310 nan 0.000 0.457 304 I N 2.168 122.713 120.570 -0.041 0.000 2.377 304 I HA 0.453 4.620 4.170 -0.005 0.000 0.293 304 I C -0.321 175.748 176.117 -0.080 0.000 0.987 304 I CA -0.497 60.775 61.300 -0.047 0.000 1.185 304 I CB 2.148 40.125 38.000 -0.038 0.000 1.341 304 I HN 0.666 nan 8.210 nan 0.000 0.455 305 T N 4.043 118.533 114.554 -0.107 0.000 2.792 305 T HA 0.263 4.610 4.350 -0.005 0.000 0.280 305 T C -0.323 174.256 174.700 -0.203 0.000 0.990 305 T CA -0.384 61.635 62.100 -0.137 0.000 0.960 305 T CB 1.490 70.288 68.868 -0.117 0.000 0.939 305 T HN 0.499 nan 8.240 nan 0.000 0.439 306 S N 2.410 117.985 115.700 -0.208 0.000 2.449 306 S HA 0.568 5.035 4.470 -0.005 0.000 0.310 306 S C -0.345 174.098 174.600 -0.263 0.000 1.096 306 S CA -0.598 57.453 58.200 -0.249 0.000 1.095 306 S CB 0.555 63.639 63.200 -0.194 0.000 1.007 306 S HN 0.483 nan 8.310 nan 0.000 0.474 307 V N 6.240 125.968 119.914 -0.310 0.000 2.333 307 V HA 0.386 4.503 4.120 -0.005 0.000 0.274 307 V C -0.169 175.945 176.094 0.032 0.000 1.028 307 V CA -0.448 61.779 62.300 -0.122 0.000 0.851 307 V CB 1.126 33.005 31.823 0.094 0.000 1.000 307 V HN 0.815 nan 8.190 nan 0.000 0.456 308 Q N 3.305 123.101 119.800 -0.006 0.000 2.325 308 Q HA 0.674 5.011 4.340 -0.005 0.000 0.262 308 Q C -0.103 175.930 176.000 0.055 0.000 0.968 308 Q CA -0.467 55.338 55.803 0.004 0.000 0.877 308 Q CB 2.137 30.841 28.738 -0.056 0.000 1.253 308 Q HN 0.870 nan 8.270 nan 0.000 0.448 309 A N 4.383 127.247 122.820 0.074 0.000 2.354 309 A HA 0.419 4.736 4.320 -0.005 0.000 0.281 309 A C -0.335 177.286 177.584 0.061 0.000 1.174 309 A CA -0.271 51.820 52.037 0.089 0.000 0.828 309 A CB 0.001 19.067 19.000 0.109 0.000 1.099 309 A HN 0.751 nan 8.150 nan 0.000 0.516 310 I N 2.515 123.076 120.570 -0.014 0.000 2.359 310 I HA 0.239 4.406 4.170 -0.005 0.000 0.294 310 I C -0.654 175.401 176.117 -0.103 0.000 0.987 310 I CA -0.519 60.731 61.300 -0.084 0.000 1.225 310 I CB 1.334 39.136 38.000 -0.330 0.000 1.366 310 I HN 0.728 nan 8.210 nan 0.000 0.466 311 Y N 6.956 127.192 120.300 -0.106 0.000 2.331 311 Y HA 0.544 5.091 4.550 -0.006 0.000 0.338 311 Y C -0.900 174.819 175.900 -0.302 0.000 0.976 311 Y CA -0.814 57.166 58.100 -0.201 0.000 1.137 311 Y CB 1.279 39.628 38.460 -0.185 0.000 1.172 311 Y HN 0.253 nan 8.280 nan 0.000 0.478 312 V N 9.769 129.114 119.914 -0.949 0.000 2.350 312 V HA 0.338 4.455 4.120 -0.005 0.000 0.276 312 V C -2.039 173.465 176.094 -0.983 0.000 1.028 312 V CA -1.924 59.949 62.300 -0.712 0.000 0.860 312 V CB 0.940 32.530 31.823 -0.388 0.000 0.990 312 V HN 0.711 nan 8.190 nan 0.000 0.453 313 P HA 0.158 nan 4.420 nan 0.000 0.271 313 P C 0.469 177.632 177.300 -0.229 0.000 1.216 313 P CA 0.523 63.357 63.100 -0.443 0.000 0.776 313 P CB 1.050 32.678 31.700 -0.119 0.000 0.881 314 A N 2.888 125.624 122.820 -0.140 0.000 2.765 314 A HA -0.263 4.053 4.320 -0.005 0.000 0.286 314 A C 0.905 178.428 177.584 -0.101 0.000 1.457 314 A CA 1.467 53.458 52.037 -0.077 0.000 0.899 314 A CB -2.577 16.405 19.000 -0.029 0.000 0.983 314 A HN 0.600 nan 8.150 nan 0.000 0.584 315 D N -1.641 118.657 120.400 -0.171 0.000 2.983 315 D HA -0.179 4.458 4.640 -0.005 0.000 0.225 315 D C -0.232 176.008 176.300 -0.099 0.000 1.174 315 D CA 1.991 55.910 54.000 -0.135 0.000 0.831 315 D CB -0.914 39.837 40.800 -0.081 0.000 1.104 315 D HN 0.888 nan 8.370 nan 0.000 0.421 316 D N 0.277 120.616 120.400 -0.102 0.000 2.456 316 D HA 0.221 4.858 4.640 -0.005 0.000 0.219 316 D C 1.416 177.668 176.300 -0.079 0.000 1.126 316 D CA -0.398 53.561 54.000 -0.068 0.000 0.890 316 D CB 0.234 41.013 40.800 -0.034 0.000 1.025 316 D HN 0.137 nan 8.370 nan 0.000 0.511 317 L N 2.517 123.684 121.223 -0.093 0.000 2.551 317 L HA -0.054 4.283 4.340 -0.005 0.000 0.228 317 L C 1.988 178.771 176.870 -0.145 0.000 1.153 317 L CA 1.088 55.843 54.840 -0.142 0.000 0.851 317 L CB -0.077 41.870 42.059 -0.185 0.000 0.959 317 L HN 0.458 nan 8.230 nan 0.000 0.451 318 T N -5.078 109.424 114.554 -0.087 0.000 3.145 318 T HA 0.016 4.363 4.350 -0.005 0.000 0.255 318 T C 0.567 175.256 174.700 -0.019 0.000 1.039 318 T CA -0.554 61.508 62.100 -0.063 0.000 0.928 318 T CB -0.241 68.599 68.868 -0.048 0.000 1.029 318 T HN 0.127 nan 8.240 nan 0.000 0.554 319 D N 2.292 122.691 120.400 -0.002 0.000 2.424 319 D HA 0.090 4.727 4.640 -0.005 0.000 0.244 319 D C -1.464 174.861 176.300 0.042 0.000 1.134 319 D CA -1.717 52.322 54.000 0.065 0.000 0.881 319 D CB 1.845 42.706 40.800 0.103 0.000 1.191 319 D HN -0.018 nan 8.370 nan 0.000 0.445 320 P HA -0.204 nan 4.420 nan 0.000 0.217 320 P C 0.870 178.003 177.300 -0.277 0.000 1.151 320 P CA 1.842 64.885 63.100 -0.096 0.000 0.849 320 P CB 0.106 31.776 31.700 -0.050 0.000 0.787 321 A N 0.002 122.586 122.820 -0.393 0.000 1.835 321 A HA -0.118 4.199 4.320 -0.005 0.000 0.215 321 A C -0.018 177.583 177.584 0.029 0.000 1.199 321 A CA 2.264 54.140 52.037 -0.268 0.000 0.615 321 A CB -2.232 16.816 19.000 0.080 0.000 0.838 321 A HN 0.205 nan 8.150 nan 0.000 0.444 322 P HA -0.169 nan 4.420 nan 0.000 0.214 322 P C 1.737 179.155 177.300 0.196 0.000 1.163 322 P CA 2.263 65.470 63.100 0.179 0.000 0.883 322 P CB -0.354 31.401 31.700 0.092 0.000 0.788 323 A N -0.468 122.384 122.820 0.055 0.000 1.903 323 A HA -0.255 4.062 4.320 -0.005 0.000 0.219 323 A C 2.415 180.059 177.584 0.100 0.000 1.191 323 A CA 3.023 55.075 52.037 0.025 0.000 0.638 323 A CB -2.081 16.908 19.000 -0.019 0.000 0.823 323 A HN 0.213 nan 8.150 nan 0.000 0.451 324 T N -0.193 114.404 114.554 0.072 0.000 2.652 324 T HA -0.142 4.205 4.350 -0.005 0.000 0.267 324 T C 2.050 176.866 174.700 0.193 0.000 1.039 324 T CA 2.122 64.278 62.100 0.092 0.000 1.153 324 T CB -0.719 68.173 68.868 0.040 0.000 0.863 324 T HN 0.638 nan 8.240 nan 0.000 0.428 325 T N 1.718 116.405 114.554 0.222 0.000 2.699 325 T HA -0.116 4.231 4.350 -0.005 0.000 0.268 325 T C 1.538 176.400 174.700 0.270 0.000 1.036 325 T CA 1.182 63.434 62.100 0.254 0.000 1.147 325 T CB -0.617 68.376 68.868 0.209 0.000 0.862 325 T HN 0.275 nan 8.240 nan 0.000 0.446 326 F N 1.579 121.585 119.950 0.093 0.000 2.494 326 F HA 0.142 4.666 4.527 -0.005 0.000 0.298 326 F C 2.445 178.263 175.800 0.031 0.000 1.106 326 F CA -0.024 58.021 58.000 0.076 0.000 1.452 326 F CB -0.752 38.287 39.000 0.064 0.000 1.085 326 F HN 0.151 nan 8.300 nan 0.000 0.569 327 A N -0.905 122.005 122.820 0.150 0.000 2.024 327 A HA -0.198 4.119 4.320 -0.005 0.000 0.220 327 A C 1.891 179.339 177.584 -0.226 0.000 1.164 327 A CA 1.720 53.715 52.037 -0.071 0.000 0.643 327 A CB -0.744 18.146 19.000 -0.182 0.000 0.806 327 A HN 0.465 nan 8.150 nan 0.000 0.451 328 H N -1.220 117.868 119.070 0.029 0.000 2.654 328 H HA 0.273 4.825 4.556 -0.006 0.000 0.264 328 H C 0.137 175.436 175.328 -0.049 0.000 0.954 328 H CA -0.093 55.949 56.048 -0.010 0.000 1.199 328 H CB 0.032 29.783 29.762 -0.018 0.000 1.446 328 H HN 0.330 nan 8.280 nan 0.000 0.516 329 L N 2.060 123.292 121.223 0.015 0.000 2.416 329 L HA 0.035 4.372 4.340 -0.005 0.000 0.272 329 L C 0.793 177.623 176.870 -0.067 0.000 1.161 329 L CA 0.162 54.951 54.840 -0.085 0.000 0.845 329 L CB 0.778 42.689 42.059 -0.248 0.000 1.119 329 L HN 0.058 nan 8.230 nan 0.000 0.464 330 D N 1.993 122.345 120.400 -0.080 0.000 2.398 330 D HA 0.349 4.986 4.640 -0.005 0.000 0.210 330 D C 0.262 176.523 176.300 -0.066 0.000 1.094 330 D CA 0.383 54.347 54.000 -0.059 0.000 0.839 330 D CB 1.294 42.060 40.800 -0.055 0.000 0.963 330 D HN 0.616 nan 8.370 nan 0.000 0.506 331 A N 0.299 123.054 122.820 -0.108 0.000 2.581 331 A HA 0.476 4.793 4.320 -0.005 0.000 0.294 331 A C -0.802 176.688 177.584 -0.156 0.000 1.035 331 A CA -0.728 51.247 52.037 -0.103 0.000 0.684 331 A CB 0.997 19.958 19.000 -0.065 0.000 1.282 331 A HN -0.035 nan 8.150 nan 0.000 0.417 332 T N -1.107 113.361 114.554 -0.144 0.000 2.841 332 T HA 0.759 5.106 4.350 -0.005 0.000 0.283 332 T C -0.564 174.063 174.700 -0.122 0.000 1.000 332 T CA -0.487 61.487 62.100 -0.210 0.000 0.977 332 T CB 1.759 70.374 68.868 -0.422 0.000 0.979 332 T HN 0.784 nan 8.240 nan 0.000 0.446 333 T N 2.981 117.501 114.554 -0.057 0.000 2.893 333 T HA 0.434 4.781 4.350 -0.005 0.000 0.324 333 T C -0.196 174.521 174.700 0.029 0.000 1.082 333 T CA -0.487 61.648 62.100 0.058 0.000 0.983 333 T CB 0.398 69.388 68.868 0.205 0.000 1.005 333 T HN 0.656 nan 8.240 nan 0.000 0.475 334 V N 6.082 125.968 119.914 -0.045 0.000 2.339 334 V HA 0.308 4.425 4.120 -0.005 0.000 0.261 334 V C 0.495 176.621 176.094 0.052 0.000 1.058 334 V CA -0.700 61.593 62.300 -0.012 0.000 0.897 334 V CB 0.137 31.902 31.823 -0.097 0.000 1.052 334 V HN 0.735 nan 8.190 nan 0.000 0.480 335 L N 4.121 125.407 121.223 0.105 0.000 2.367 335 L HA 0.369 4.706 4.340 -0.005 0.000 0.275 335 L C 0.617 177.507 176.870 0.035 0.000 1.129 335 L CA 0.495 55.372 54.840 0.063 0.000 0.839 335 L CB 1.361 43.471 42.059 0.085 0.000 1.133 335 L HN 0.708 nan 8.230 nan 0.000 0.453 336 S N 3.261 118.952 115.700 -0.016 0.000 2.519 336 S HA 0.340 4.807 4.470 -0.005 0.000 0.309 336 S C 0.851 175.417 174.600 -0.058 0.000 1.100 336 S CA -0.767 57.419 58.200 -0.023 0.000 1.059 336 S CB 1.497 64.681 63.200 -0.027 0.000 1.008 336 S HN 0.674 nan 8.310 nan 0.000 0.478 337 R N 2.733 123.214 120.500 -0.032 0.000 2.120 337 R HA -0.073 4.264 4.340 -0.005 0.000 0.234 337 R C 2.268 178.542 176.300 -0.043 0.000 1.123 337 R CA 1.536 57.615 56.100 -0.036 0.000 0.975 337 R CB -0.407 29.890 30.300 -0.005 0.000 0.866 337 R HN 0.783 nan 8.270 nan 0.000 0.446 338 A N 1.245 124.044 122.820 -0.034 0.000 1.873 338 A HA -0.135 4.182 4.320 -0.005 0.000 0.215 338 A C 2.004 179.563 177.584 -0.042 0.000 1.186 338 A CA 1.017 53.036 52.037 -0.029 0.000 0.616 338 A CB -0.312 18.674 19.000 -0.023 0.000 0.823 338 A HN 0.089 nan 8.150 nan 0.000 0.442 339 I N 0.176 120.709 120.570 -0.062 0.000 2.163 339 I HA -0.272 3.895 4.170 -0.005 0.000 0.243 339 I C 2.994 179.035 176.117 -0.127 0.000 1.085 339 I CA 1.508 62.763 61.300 -0.075 0.000 1.347 339 I CB -1.649 36.298 38.000 -0.088 0.000 1.044 339 I HN 0.376 nan 8.210 nan 0.000 0.408 340 A N 0.471 123.154 122.820 -0.228 0.000 1.892 340 A HA -0.259 4.058 4.320 -0.005 0.000 0.218 340 A C 2.231 179.769 177.584 -0.077 0.000 1.188 340 A CA 1.927 53.740 52.037 -0.373 0.000 0.631 340 A CB -0.842 17.924 19.000 -0.390 0.000 0.822 340 A HN 0.494 nan 8.150 nan 0.000 0.447 341 E N -0.492 119.690 120.200 -0.030 0.000 2.331 341 E HA -0.120 4.227 4.350 -0.005 0.000 0.199 341 E C 1.403 178.023 176.600 0.032 0.000 1.008 341 E CA 0.683 57.095 56.400 0.020 0.000 0.843 341 E CB -0.237 29.468 29.700 0.009 0.000 0.761 341 E HN 0.671 nan 8.360 nan 0.000 0.507 342 L N -0.922 120.315 121.223 0.024 0.000 2.599 342 L HA 0.102 4.439 4.340 -0.005 0.000 0.230 342 L C 1.639 178.560 176.870 0.085 0.000 1.141 342 L CA 0.477 55.343 54.840 0.043 0.000 0.877 342 L CB -0.081 42.007 42.059 0.049 0.000 1.009 342 L HN 0.310 nan 8.230 nan 0.000 0.447 343 G N 0.667 109.551 108.800 0.140 0.000 2.253 343 G HA2 -0.297 3.660 3.960 -0.005 0.000 0.251 343 G HA3 -0.297 3.660 3.960 -0.005 0.000 0.251 343 G C 0.441 175.608 174.900 0.444 0.000 0.998 343 G CA -0.189 45.085 45.100 0.290 0.000 0.621 343 G HN 0.269 nan 8.290 nan 0.000 0.524 344 I N 0.907 121.631 120.570 0.258 0.000 2.741 344 I HA 0.287 4.454 4.170 -0.005 0.000 0.288 344 I C 0.108 176.246 176.117 0.034 0.000 1.192 344 I CA 0.612 62.030 61.300 0.197 0.000 1.426 344 I CB -0.001 38.062 38.000 0.106 0.000 1.367 344 I HN 0.167 nan 8.210 nan 0.000 0.563 345 Y N 6.651 126.921 120.300 -0.050 0.000 2.482 345 Y HA 0.298 4.845 4.550 -0.005 0.000 0.334 345 Y C -2.305 173.436 175.900 -0.265 0.000 1.091 345 Y CA -2.267 55.739 58.100 -0.158 0.000 1.027 345 Y CB 1.918 40.255 38.460 -0.206 0.000 1.306 345 Y HN 0.410 nan 8.280 nan 0.000 0.446 346 P HA 0.046 nan 4.420 nan 0.000 0.265 346 P C -0.072 177.169 177.300 -0.099 0.000 1.193 346 P CA 0.144 63.190 63.100 -0.091 0.000 0.765 346 P CB 0.841 32.557 31.700 0.027 0.000 0.823 347 A N 3.648 126.328 122.820 -0.234 0.000 2.223 347 A HA 0.115 4.432 4.320 -0.005 0.000 0.222 347 A C 0.687 178.201 177.584 -0.116 0.000 1.317 347 A CA -0.081 51.783 52.037 -0.287 0.000 0.985 347 A CB -1.034 17.673 19.000 -0.488 0.000 0.858 347 A HN 0.408 nan 8.150 nan 0.000 0.496 348 V N 1.073 120.961 119.914 -0.044 0.000 2.740 348 V HA 0.020 4.137 4.120 -0.005 0.000 0.303 348 V C 0.359 176.441 176.094 -0.021 0.000 1.054 348 V CA -0.140 62.157 62.300 -0.004 0.000 1.106 348 V CB 1.122 32.962 31.823 0.028 0.000 0.957 348 V HN 0.552 nan 8.190 nan 0.000 0.486 349 D N 6.854 127.242 120.400 -0.019 0.000 2.347 349 D HA 0.246 4.883 4.640 -0.005 0.000 0.235 349 D C -1.352 174.930 176.300 -0.029 0.000 1.149 349 D CA -2.196 51.788 54.000 -0.025 0.000 0.850 349 D CB 1.816 42.600 40.800 -0.026 0.000 1.061 349 D HN 0.243 nan 8.370 nan 0.000 0.487 350 P HA -0.057 nan 4.420 nan 0.000 0.230 350 P C 1.137 178.412 177.300 -0.043 0.000 1.158 350 P CA 0.682 63.757 63.100 -0.043 0.000 0.769 350 P CB 0.521 32.195 31.700 -0.044 0.000 0.807 351 L N -1.687 119.515 121.223 -0.034 0.000 2.642 351 L HA 0.206 4.543 4.340 -0.005 0.000 0.233 351 L C 1.652 178.500 176.870 -0.037 0.000 1.077 351 L CA 0.451 55.271 54.840 -0.033 0.000 0.879 351 L CB -0.212 41.832 42.059 -0.025 0.000 1.151 351 L HN -0.204 nan 8.230 nan 0.000 0.495 352 D N -0.371 120.003 120.400 -0.042 0.000 2.301 352 D HA 0.035 4.672 4.640 -0.005 0.000 0.206 352 D C 0.732 176.980 176.300 -0.087 0.000 0.979 352 D CA 0.375 54.341 54.000 -0.057 0.000 0.874 352 D CB 0.406 41.175 40.800 -0.052 0.000 0.968 352 D HN -0.014 nan 8.370 nan 0.000 0.510 353 S N 0.068 115.721 115.700 -0.077 0.000 2.564 353 S HA 0.405 4.872 4.470 -0.005 0.000 0.278 353 S C 0.500 175.061 174.600 -0.065 0.000 1.333 353 S CA -0.253 57.894 58.200 -0.088 0.000 1.048 353 S CB 1.120 64.295 63.200 -0.042 0.000 0.900 353 S HN 0.335 nan 8.310 nan 0.000 0.505 354 T N -1.013 113.497 114.554 -0.073 0.000 2.838 354 T HA 0.792 5.139 4.350 -0.005 0.000 0.292 354 T C -0.687 174.002 174.700 -0.018 0.000 1.113 354 T CA -0.839 61.239 62.100 -0.036 0.000 1.008 354 T CB 1.894 70.743 68.868 -0.031 0.000 1.259 354 T HN 0.472 nan 8.240 nan 0.000 0.520 355 S N -1.386 114.313 115.700 -0.002 0.000 2.543 355 S HA 0.418 4.885 4.470 -0.005 0.000 0.271 355 S C 0.578 175.181 174.600 0.004 0.000 1.148 355 S CA -0.787 57.415 58.200 0.004 0.000 0.914 355 S CB 1.765 64.979 63.200 0.024 0.000 1.096 355 S HN 0.790 nan 8.310 nan 0.000 0.471 356 R N 2.080 122.578 120.500 -0.004 0.000 2.092 356 R HA 0.064 4.401 4.340 -0.005 0.000 0.231 356 R C 1.818 178.112 176.300 -0.010 0.000 1.119 356 R CA 1.794 57.892 56.100 -0.004 0.000 0.970 356 R CB -0.420 29.875 30.300 -0.009 0.000 0.864 356 R HN 0.817 nan 8.270 nan 0.000 0.440 357 I N -1.792 118.769 120.570 -0.014 0.000 3.605 357 I HA 0.048 4.215 4.170 -0.005 0.000 0.301 357 I C 0.515 176.607 176.117 -0.042 0.000 1.267 357 I CA 0.350 61.633 61.300 -0.028 0.000 1.236 357 I CB -0.008 37.978 38.000 -0.024 0.000 1.010 357 I HN 0.005 nan 8.210 nan 0.000 0.491 358 M N 3.008 122.600 119.600 -0.012 0.000 3.422 358 M HA 0.231 4.708 4.480 -0.005 0.000 0.248 358 M C -1.000 175.349 176.300 0.081 0.000 1.433 358 M CA 0.482 55.802 55.300 0.033 0.000 1.592 358 M CB -1.011 31.625 32.600 0.061 0.000 1.078 358 M HN 0.252 nan 8.290 nan 0.000 0.578 359 D N 2.459 122.822 120.400 -0.063 0.000 2.757 359 D HA 0.401 5.038 4.640 -0.005 0.000 0.249 359 D C -1.837 174.291 176.300 -0.287 0.000 1.168 359 D CA -1.571 52.277 54.000 -0.254 0.000 0.870 359 D CB 2.369 43.072 40.800 -0.160 0.000 1.411 359 D HN 0.075 nan 8.370 nan 0.000 0.525 360 P HA -0.163 nan 4.420 nan 0.000 0.217 360 P C 0.410 177.623 177.300 -0.146 0.000 1.148 360 P CA 1.072 64.004 63.100 -0.279 0.000 0.828 360 P CB 0.228 31.714 31.700 -0.357 0.000 0.783 361 N N -1.128 117.470 118.700 -0.169 0.000 2.571 361 N HA 0.028 4.765 4.740 -0.005 0.000 0.189 361 N C 1.515 176.983 175.510 -0.070 0.000 1.154 361 N CA 0.553 53.544 53.050 -0.098 0.000 0.907 361 N CB -0.213 38.216 38.487 -0.096 0.000 0.977 361 N HN 0.271 nan 8.380 nan 0.000 0.449 362 I N -2.067 118.458 120.570 -0.076 0.000 4.578 362 I HA 0.000 4.167 4.170 -0.005 0.000 0.312 362 I C 1.203 177.299 176.117 -0.033 0.000 1.224 362 I CA 0.203 61.473 61.300 -0.050 0.000 1.318 362 I CB 0.431 38.398 38.000 -0.055 0.000 1.388 362 I HN -0.041 nan 8.210 nan 0.000 0.461 363 V N -1.090 118.794 119.914 -0.051 0.000 3.660 363 V HA 0.603 4.720 4.120 -0.005 0.000 0.276 363 V C 0.860 176.998 176.094 0.073 0.000 1.317 363 V CA 0.168 62.447 62.300 -0.036 0.000 1.097 363 V CB -0.619 31.023 31.823 -0.301 0.000 0.863 363 V HN 0.448 nan 8.190 nan 0.000 0.438 364 G N 0.975 109.804 108.800 0.048 0.000 2.879 364 G HA2 -0.140 3.817 3.960 -0.005 0.000 0.686 364 G HA3 -0.140 3.817 3.960 -0.005 0.000 0.686 364 G C 0.486 175.468 174.900 0.137 0.000 1.115 364 G CA 0.499 45.646 45.100 0.079 0.000 0.770 364 G HN 1.213 nan 8.290 nan 0.000 0.601 365 S N 0.439 116.206 115.700 0.111 0.000 2.381 365 S HA -0.258 4.209 4.470 -0.005 0.000 0.230 365 S C 1.898 176.613 174.600 0.190 0.000 1.052 365 S CA 2.497 60.792 58.200 0.159 0.000 1.068 365 S CB -0.297 62.961 63.200 0.098 0.000 0.918 365 S HN 0.994 nan 8.310 nan 0.000 0.448 366 E N 0.080 120.368 120.200 0.148 0.000 2.005 366 E HA -0.299 4.048 4.350 -0.005 0.000 0.198 366 E C 2.042 178.751 176.600 0.182 0.000 1.010 366 E CA 1.660 58.139 56.400 0.132 0.000 0.825 366 E CB -0.709 29.051 29.700 0.100 0.000 0.769 366 E HN 0.880 nan 8.360 nan 0.000 0.456 367 H N -1.391 117.729 119.070 0.083 0.000 2.292 367 H HA -0.268 4.285 4.556 -0.005 0.000 0.292 367 H C 2.262 177.635 175.328 0.075 0.000 1.100 367 H CA 2.091 58.183 56.048 0.073 0.000 1.238 367 H CB -0.286 29.521 29.762 0.076 0.000 1.355 367 H HN 0.317 nan 8.280 nan 0.000 0.484 368 Y N 1.546 121.937 120.300 0.150 0.000 2.165 368 Y HA -0.249 4.298 4.550 -0.005 0.000 0.286 368 Y C 2.021 177.956 175.900 0.059 0.000 1.155 368 Y CA 1.996 60.120 58.100 0.041 0.000 1.164 368 Y CB -0.288 38.170 38.460 -0.003 0.000 0.978 368 Y HN 0.369 nan 8.280 nan 0.000 0.513 369 D N -0.848 119.575 120.400 0.038 0.000 2.149 369 D HA -0.141 4.496 4.640 -0.005 0.000 0.201 369 D C 2.427 178.691 176.300 -0.061 0.000 0.972 369 D CA 1.404 55.373 54.000 -0.051 0.000 0.835 369 D CB -0.375 40.459 40.800 0.056 0.000 0.966 369 D HN 0.312 nan 8.370 nan 0.000 0.476 370 V N 1.811 121.731 119.914 0.010 0.000 2.261 370 V HA -0.259 3.858 4.120 -0.005 0.000 0.246 370 V C 2.627 178.702 176.094 -0.033 0.000 1.047 370 V CA 1.904 64.217 62.300 0.022 0.000 1.015 370 V CB -0.935 30.925 31.823 0.061 0.000 0.642 370 V HN 0.169 nan 8.190 nan 0.000 0.446 371 A N 0.207 123.001 122.820 -0.043 0.000 1.873 371 A HA -0.259 4.058 4.320 -0.005 0.000 0.218 371 A C 2.255 179.741 177.584 -0.164 0.000 1.193 371 A CA 1.947 53.925 52.037 -0.098 0.000 0.629 371 A CB -0.566 18.404 19.000 -0.049 0.000 0.826 371 A HN 0.426 nan 8.150 nan 0.000 0.447 372 R N -0.425 119.911 120.500 -0.273 0.000 2.285 372 R HA -0.074 4.263 4.340 -0.005 0.000 0.213 372 R C 2.097 178.315 176.300 -0.136 0.000 1.068 372 R CA 1.004 56.946 56.100 -0.264 0.000 1.004 372 R CB -1.122 28.918 30.300 -0.433 0.000 0.873 372 R HN 0.587 nan 8.270 nan 0.000 0.467 373 G N -0.015 108.729 108.800 -0.094 0.000 2.411 373 G HA2 -0.104 3.852 3.960 -0.005 0.000 0.213 373 G HA3 -0.104 3.852 3.960 -0.005 0.000 0.213 373 G C 1.510 176.401 174.900 -0.015 0.000 1.166 373 G CA 0.199 45.278 45.100 -0.035 0.000 0.802 373 G HN 0.107 nan 8.290 nan 0.000 0.533 374 V N 0.908 120.807 119.914 -0.025 0.000 2.287 374 V HA -0.284 3.833 4.120 -0.005 0.000 0.248 374 V C 2.898 178.978 176.094 -0.024 0.000 1.053 374 V CA 2.301 64.590 62.300 -0.019 0.000 1.027 374 V CB -0.725 31.021 31.823 -0.129 0.000 0.646 374 V HN 0.406 nan 8.190 nan 0.000 0.447 375 Q N -0.185 119.583 119.800 -0.053 0.000 2.046 375 Q HA -0.246 4.091 4.340 -0.005 0.000 0.200 375 Q C 2.368 178.359 176.000 -0.014 0.000 0.975 375 Q CA 1.823 57.602 55.803 -0.039 0.000 0.836 375 Q CB -0.250 28.453 28.738 -0.059 0.000 0.896 375 Q HN 0.616 nan 8.270 nan 0.000 0.428 376 K N 0.792 121.180 120.400 -0.019 0.000 2.009 376 K HA -0.215 4.102 4.320 -0.005 0.000 0.210 376 K C 1.989 178.602 176.600 0.021 0.000 1.049 376 K CA 1.245 57.531 56.287 -0.003 0.000 0.929 376 K CB -0.212 32.283 32.500 -0.008 0.000 0.714 376 K HN 0.062 nan 8.250 nan 0.000 0.440 377 I N 1.435 122.021 120.570 0.027 0.000 2.151 377 I HA -0.277 3.890 4.170 -0.005 0.000 0.243 377 I C 1.876 178.046 176.117 0.090 0.000 1.080 377 I CA 1.451 62.780 61.300 0.049 0.000 1.339 377 I CB -0.142 37.881 38.000 0.038 0.000 1.039 377 I HN 0.262 nan 8.210 nan 0.000 0.409 378 L N -0.653 120.619 121.223 0.081 0.000 2.131 378 L HA -0.260 4.077 4.340 -0.005 0.000 0.210 378 L C 2.475 179.398 176.870 0.089 0.000 1.092 378 L CA 1.323 56.233 54.840 0.117 0.000 0.759 378 L CB -0.567 41.534 42.059 0.069 0.000 0.903 378 L HN 0.392 nan 8.230 nan 0.000 0.435 379 Q N -0.396 119.432 119.800 0.048 0.000 2.020 379 Q HA -0.172 4.165 4.340 -0.005 0.000 0.198 379 Q C 1.883 177.902 176.000 0.032 0.000 0.974 379 Q CA 1.406 57.222 55.803 0.021 0.000 0.829 379 Q CB 0.050 28.793 28.738 0.008 0.000 0.894 379 Q HN 0.453 nan 8.270 nan 0.000 0.433 380 D N 0.038 120.471 120.400 0.056 0.000 2.116 380 D HA -0.214 4.423 4.640 -0.005 0.000 0.193 380 D C 1.747 178.112 176.300 0.108 0.000 0.998 380 D CA 1.200 55.239 54.000 0.065 0.000 0.836 380 D CB -0.428 40.411 40.800 0.065 0.000 0.951 380 D HN 0.239 nan 8.370 nan 0.000 0.449 381 Y N 2.117 122.417 120.300 -0.000 0.000 2.151 381 Y HA -0.226 4.320 4.550 -0.005 0.000 0.284 381 Y C 2.200 178.100 175.900 0.001 0.000 1.166 381 Y CA 1.469 59.570 58.100 0.001 0.000 1.163 381 Y CB -0.363 38.099 38.460 0.003 0.000 0.974 381 Y HN -0.157 nan 8.280 nan 0.000 0.511 382 K N -0.293 120.014 120.400 -0.155 0.000 2.074 382 K HA -0.204 4.113 4.320 -0.005 0.000 0.209 382 K C 2.284 178.791 176.600 -0.155 0.000 1.048 382 K CA 1.776 57.919 56.287 -0.240 0.000 0.926 382 K CB -0.230 32.196 32.500 -0.124 0.000 0.713 382 K HN 0.352 nan 8.250 nan 0.000 0.444 383 S N 1.322 116.983 115.700 -0.065 0.000 2.365 383 S HA -0.168 4.299 4.470 -0.005 0.000 0.221 383 S C 1.878 176.458 174.600 -0.033 0.000 1.037 383 S CA 1.505 59.684 58.200 -0.035 0.000 1.060 383 S CB -0.394 62.804 63.200 -0.003 0.000 0.974 383 S HN 0.263 nan 8.310 nan 0.000 0.427 384 L N 1.484 122.707 121.223 0.000 0.000 2.129 384 L HA -0.215 4.122 4.340 -0.005 0.000 0.212 384 L C 2.775 179.642 176.870 -0.005 0.000 1.087 384 L CA 1.195 56.052 54.840 0.029 0.000 0.757 384 L CB -0.690 41.435 42.059 0.112 0.000 0.896 384 L HN 0.416 nan 8.230 nan 0.000 0.434 385 Q N 0.113 119.851 119.800 -0.102 0.000 2.156 385 Q HA -0.287 4.050 4.340 -0.005 0.000 0.211 385 Q C 1.763 177.723 176.000 -0.066 0.000 0.995 385 Q CA 2.137 57.853 55.803 -0.144 0.000 0.877 385 Q CB -0.042 28.523 28.738 -0.288 0.000 0.920 385 Q HN 0.528 nan 8.270 nan 0.000 0.416 386 D N -0.233 120.134 120.400 -0.055 0.000 2.117 386 D HA -0.122 4.515 4.640 -0.005 0.000 0.198 386 D C 1.770 178.062 176.300 -0.013 0.000 0.982 386 D CA 0.795 54.775 54.000 -0.033 0.000 0.828 386 D CB -0.138 40.644 40.800 -0.030 0.000 0.967 386 D HN 0.174 nan 8.370 nan 0.000 0.464 387 I N 0.953 121.521 120.570 -0.005 0.000 2.113 387 I HA -0.253 3.914 4.170 -0.005 0.000 0.238 387 I C 2.117 178.242 176.117 0.013 0.000 1.070 387 I CA 0.625 61.929 61.300 0.007 0.000 1.332 387 I CB -0.263 37.745 38.000 0.013 0.000 1.044 387 I HN -0.029 nan 8.210 nan 0.000 0.402 388 I N 0.894 121.478 120.570 0.024 0.000 2.103 388 I HA -0.406 3.761 4.170 -0.005 0.000 0.241 388 I C 2.652 178.783 176.117 0.023 0.000 1.036 388 I CA 2.124 63.444 61.300 0.034 0.000 1.300 388 I CB -2.019 36.016 38.000 0.058 0.000 1.010 388 I HN 0.286 nan 8.210 nan 0.000 0.406 389 A N 0.175 123.003 122.820 0.014 0.000 1.933 389 A HA -0.131 4.186 4.320 -0.005 0.000 0.218 389 A C 2.208 179.796 177.584 0.007 0.000 1.175 389 A CA 1.363 53.406 52.037 0.009 0.000 0.628 389 A CB -0.364 18.636 19.000 0.000 0.000 0.814 389 A HN 0.331 nan 8.150 nan 0.000 0.444 390 I N -0.311 120.261 120.570 0.005 0.000 2.490 390 I HA -0.026 4.141 4.170 -0.005 0.000 0.234 390 I C 2.057 178.178 176.117 0.006 0.000 1.066 390 I CA 0.870 62.172 61.300 0.004 0.000 1.405 390 I CB -1.613 36.388 38.000 0.001 0.000 1.191 390 I HN 0.245 nan 8.210 nan 0.000 0.433 391 L N 1.011 122.238 121.223 0.007 0.000 2.650 391 L HA 0.312 4.649 4.340 -0.005 0.000 0.235 391 L C 0.796 177.673 176.870 0.011 0.000 1.149 391 L CA 0.155 55.000 54.840 0.008 0.000 0.887 391 L CB -1.417 40.647 42.059 0.008 0.000 1.021 391 L HN 0.463 nan 8.230 nan 0.000 0.441 392 G N 0.408 109.216 108.800 0.013 0.000 2.778 392 G HA2 -0.275 3.682 3.960 -0.005 0.000 0.686 392 G HA3 -0.275 3.682 3.960 -0.005 0.000 0.686 392 G C 0.087 174.998 174.900 0.020 0.000 1.309 392 G CA -0.485 44.624 45.100 0.016 0.000 0.904 392 G HN 0.127 nan 8.290 nan 0.000 0.593 393 M N 0.847 120.462 119.600 0.024 0.000 2.873 393 M HA -0.049 4.428 4.480 -0.005 0.000 0.208 393 M C 0.864 177.178 176.300 0.024 0.000 0.965 393 M CA 1.239 56.556 55.300 0.029 0.000 1.103 393 M CB -0.331 32.287 32.600 0.031 0.000 1.620 393 M HN 0.587 nan 8.290 nan 0.000 0.534 394 D N -1.125 119.287 120.400 0.019 0.000 2.486 394 D HA 0.007 4.644 4.640 -0.005 0.000 0.243 394 D C 1.186 177.494 176.300 0.015 0.000 1.146 394 D CA 0.065 54.075 54.000 0.016 0.000 0.821 394 D CB 0.396 41.204 40.800 0.013 0.000 1.201 394 D HN 0.298 nan 8.370 nan 0.000 0.525 395 E N 0.940 121.149 120.200 0.015 0.000 2.515 395 E HA -0.015 4.332 4.350 -0.005 0.000 0.201 395 E C 0.442 177.051 176.600 0.014 0.000 1.071 395 E CA 0.019 56.426 56.400 0.013 0.000 0.880 395 E CB 0.064 29.771 29.700 0.012 0.000 0.828 395 E HN 0.378 nan 8.360 nan 0.000 0.540 396 L N 2.482 123.715 121.223 0.017 0.000 2.628 396 L HA -0.063 4.274 4.340 -0.005 0.000 0.274 396 L C 0.974 177.853 176.870 0.015 0.000 1.209 396 L CA 0.073 54.925 54.840 0.019 0.000 0.930 396 L CB -0.025 42.048 42.059 0.023 0.000 1.183 396 L HN 0.027 nan 8.230 nan 0.000 0.492 397 S N 1.676 117.385 115.700 0.014 0.000 2.603 397 S HA 0.113 4.580 4.470 -0.005 0.000 0.268 397 S C 0.899 175.505 174.600 0.009 0.000 1.317 397 S CA -0.809 57.398 58.200 0.011 0.000 1.012 397 S CB 1.341 64.547 63.200 0.011 0.000 0.926 397 S HN 0.675 nan 8.310 nan 0.000 0.539 398 E N 0.744 120.949 120.200 0.007 0.000 2.284 398 E HA -0.226 4.121 4.350 -0.005 0.000 0.200 398 E C 1.640 178.243 176.600 0.005 0.000 1.008 398 E CA 1.661 58.064 56.400 0.006 0.000 0.829 398 E CB -0.037 29.666 29.700 0.005 0.000 0.744 398 E HN 0.758 nan 8.360 nan 0.000 0.491 399 E N 0.132 120.336 120.200 0.006 0.000 2.057 399 E HA -0.092 4.255 4.350 -0.005 0.000 0.190 399 E C 1.608 178.213 176.600 0.008 0.000 0.969 399 E CA 0.345 56.748 56.400 0.006 0.000 0.812 399 E CB 0.162 29.867 29.700 0.008 0.000 0.777 399 E HN 0.105 nan 8.360 nan 0.000 0.455 400 D N 0.923 121.331 120.400 0.013 0.000 2.263 400 D HA -0.100 4.537 4.640 -0.005 0.000 0.208 400 D C 1.377 177.687 176.300 0.016 0.000 0.971 400 D CA 0.952 54.965 54.000 0.020 0.000 0.867 400 D CB 0.116 40.931 40.800 0.025 0.000 0.929 400 D HN 0.100 nan 8.370 nan 0.000 0.492 401 K N -0.389 120.015 120.400 0.007 0.000 2.361 401 K HA 0.023 4.340 4.320 -0.005 0.000 0.196 401 K C 1.633 178.222 176.600 -0.017 0.000 1.039 401 K CA 0.019 56.305 56.287 -0.001 0.000 1.001 401 K CB 0.541 33.043 32.500 0.003 0.000 0.795 401 K HN 0.031 nan 8.250 nan 0.000 0.495 402 L N 1.049 122.263 121.223 -0.015 0.000 2.202 402 L HA -0.081 4.256 4.340 -0.005 0.000 0.205 402 L C 2.556 179.402 176.870 -0.040 0.000 1.083 402 L CA 1.614 56.440 54.840 -0.024 0.000 0.790 402 L CB -0.555 41.496 42.059 -0.013 0.000 0.942 402 L HN 0.242 nan 8.230 nan 0.000 0.452 403 T N -3.771 110.767 114.554 -0.025 0.000 2.788 403 T HA -0.159 4.188 4.350 -0.005 0.000 0.268 403 T C 1.818 176.468 174.700 -0.085 0.000 1.044 403 T CA 1.628 63.713 62.100 -0.025 0.000 1.139 403 T CB -0.918 67.960 68.868 0.015 0.000 0.867 403 T HN 0.065 nan 8.240 nan 0.000 0.454 404 V N 2.852 122.706 119.914 -0.101 0.000 2.229 404 V HA -0.184 3.933 4.120 -0.005 0.000 0.243 404 V C 3.216 179.120 176.094 -0.316 0.000 1.042 404 V CA 2.102 64.243 62.300 -0.266 0.000 1.000 404 V CB -1.446 30.293 31.823 -0.139 0.000 0.637 404 V HN 0.791 nan 8.190 nan 0.000 0.446 405 S N 1.571 117.167 115.700 -0.172 0.000 2.389 405 S HA -0.381 4.086 4.470 -0.005 0.000 0.229 405 S C 2.045 176.548 174.600 -0.161 0.000 1.048 405 S CA 2.331 60.450 58.200 -0.135 0.000 1.117 405 S CB -0.774 62.385 63.200 -0.069 0.000 1.020 405 S HN 0.589 nan 8.310 nan 0.000 0.430 406 R N 2.002 122.419 120.500 -0.140 0.000 2.080 406 R HA 0.004 4.341 4.340 -0.005 0.000 0.236 406 R C 2.918 179.120 176.300 -0.163 0.000 1.137 406 R CA 1.373 57.386 56.100 -0.144 0.000 0.943 406 R CB -1.152 29.096 30.300 -0.087 0.000 0.846 406 R HN 0.606 nan 8.270 nan 0.000 0.431 407 A N 1.836 124.549 122.820 -0.177 0.000 1.917 407 A HA -0.229 4.088 4.320 -0.005 0.000 0.219 407 A C 2.125 179.591 177.584 -0.196 0.000 1.182 407 A CA 1.662 53.598 52.037 -0.168 0.000 0.633 407 A CB -0.507 18.325 19.000 -0.279 0.000 0.819 407 A HN 0.292 nan 8.150 nan 0.000 0.448 408 R N -0.484 119.815 120.500 -0.335 0.000 2.148 408 R HA -0.052 4.285 4.340 -0.005 0.000 0.227 408 R C 2.030 178.263 176.300 -0.112 0.000 1.103 408 R CA 1.327 57.298 56.100 -0.215 0.000 0.983 408 R CB -0.264 29.900 30.300 -0.228 0.000 0.874 408 R HN 0.533 nan 8.270 nan 0.000 0.451 409 K N 0.745 121.025 120.400 -0.201 0.000 2.076 409 K HA 0.020 4.337 4.320 -0.005 0.000 0.204 409 K C 2.140 178.531 176.600 -0.349 0.000 1.051 409 K CA 0.874 56.918 56.287 -0.406 0.000 0.949 409 K CB -0.028 32.048 32.500 -0.706 0.000 0.726 409 K HN 0.080 nan 8.250 nan 0.000 0.443 410 I N 1.391 121.862 120.570 -0.164 0.000 2.099 410 I HA -0.355 3.812 4.170 -0.005 0.000 0.239 410 I C 2.709 178.955 176.117 0.216 0.000 1.066 410 I CA 1.428 62.792 61.300 0.106 0.000 1.324 410 I CB -0.307 37.789 38.000 0.161 0.000 1.037 410 I HN 0.279 nan 8.210 nan 0.000 0.401 411 Q N 0.545 120.424 119.800 0.132 0.000 2.156 411 Q HA -0.265 4.072 4.340 -0.005 0.000 0.211 411 Q C 2.395 178.506 176.000 0.186 0.000 0.995 411 Q CA 1.915 57.810 55.803 0.153 0.000 0.877 411 Q CB 0.019 28.842 28.738 0.143 0.000 0.920 411 Q HN 0.437 nan 8.270 nan 0.000 0.416 412 R N -0.870 119.743 120.500 0.189 0.000 2.062 412 R HA -0.100 4.237 4.340 -0.005 0.000 0.229 412 R C 2.158 178.646 176.300 0.312 0.000 1.128 412 R CA 0.976 57.243 56.100 0.278 0.000 0.960 412 R CB -0.646 29.844 30.300 0.316 0.000 0.855 412 R HN 0.263 nan 8.270 nan 0.000 0.432 413 F N 2.062 122.048 119.950 0.060 0.000 2.307 413 F HA -0.067 4.457 4.527 -0.005 0.000 0.301 413 F C 1.769 177.699 175.800 0.217 0.000 1.076 413 F CA 0.899 58.894 58.000 -0.010 0.000 1.383 413 F CB -0.231 38.501 39.000 -0.447 0.000 1.055 413 F HN -0.089 nan 8.300 nan 0.000 0.526 414 L N -0.387 121.024 121.223 0.314 0.000 2.552 414 L HA -0.007 4.330 4.340 -0.005 0.000 0.227 414 L C 1.350 178.270 176.870 0.084 0.000 1.146 414 L CA 0.312 55.281 54.840 0.215 0.000 0.858 414 L CB -0.634 41.512 42.059 0.145 0.000 0.969 414 L HN 0.121 nan 8.230 nan 0.000 0.451 415 S N -0.686 115.068 115.700 0.089 0.000 2.669 415 S HA 0.524 4.991 4.470 -0.005 0.000 0.270 415 S C -0.393 174.189 174.600 -0.030 0.000 1.225 415 S CA -0.547 57.667 58.200 0.023 0.000 0.991 415 S CB 2.135 65.344 63.200 0.015 0.000 0.987 415 S HN 0.237 nan 8.310 nan 0.000 0.552 416 Q N -0.160 119.587 119.800 -0.088 0.000 2.617 416 Q HA 0.323 4.659 4.340 -0.005 0.000 0.270 416 Q C -3.272 172.667 176.000 -0.103 0.000 0.967 416 Q CA -1.552 54.219 55.803 -0.053 0.000 0.887 416 Q CB 2.001 30.772 28.738 0.055 0.000 1.516 416 Q HN 0.547 nan 8.270 nan 0.000 0.395 417 P HA 0.246 nan 4.420 nan 0.000 0.282 417 P C -1.056 176.375 177.300 0.218 0.000 1.262 417 P CA -0.039 63.059 63.100 -0.003 0.000 0.773 417 P CB 0.155 31.869 31.700 0.024 0.000 0.879 418 F N 1.977 121.921 119.950 -0.009 0.000 2.399 418 F HA 0.273 4.797 4.527 -0.005 0.000 0.334 418 F C 1.948 177.761 175.800 0.022 0.000 1.097 418 F CA -0.886 57.118 58.000 0.006 0.000 1.076 418 F CB 1.087 40.090 39.000 0.006 0.000 1.162 418 F HN 0.335 nan 8.300 nan 0.000 0.495 419 Q N 1.284 121.193 119.800 0.183 0.000 2.291 419 Q HA -0.067 4.270 4.340 -0.005 0.000 0.205 419 Q C 1.927 178.002 176.000 0.125 0.000 0.970 419 Q CA 0.779 56.649 55.803 0.112 0.000 0.876 419 Q CB -0.066 28.703 28.738 0.052 0.000 0.935 419 Q HN 0.536 nan 8.270 nan 0.000 0.455 420 V N 0.491 120.491 119.914 0.143 0.000 2.515 420 V HA -0.141 3.976 4.120 -0.005 0.000 0.250 420 V C 1.198 177.400 176.094 0.180 0.000 1.058 420 V CA 1.419 63.801 62.300 0.136 0.000 1.064 420 V CB -0.387 31.503 31.823 0.112 0.000 0.675 420 V HN 0.300 nan 8.190 nan 0.000 0.461 421 A N -0.561 122.373 122.820 0.190 0.000 3.245 421 A HA 0.387 4.704 4.320 -0.005 0.000 0.282 421 A C 1.126 178.846 177.584 0.227 0.000 1.417 421 A CA -0.203 51.943 52.037 0.181 0.000 1.149 421 A CB -0.178 18.829 19.000 0.013 0.000 1.155 421 A HN 0.508 nan 8.150 nan 0.000 0.602 422 E N -0.417 119.926 120.200 0.239 0.000 2.332 422 E HA -0.004 4.343 4.350 -0.005 0.000 0.202 422 E C 1.306 177.986 176.600 0.134 0.000 0.877 422 E CA 0.431 56.929 56.400 0.162 0.000 0.979 422 E CB 0.387 30.151 29.700 0.108 0.000 0.969 422 E HN 0.435 nan 8.360 nan 0.000 0.495 423 V N 1.083 121.077 119.914 0.133 0.000 2.982 423 V HA -0.201 3.916 4.120 -0.005 0.000 0.265 423 V C 1.220 177.174 176.094 -0.234 0.000 1.122 423 V CA 1.618 63.864 62.300 -0.091 0.000 1.143 423 V CB -0.526 31.147 31.823 -0.249 0.000 0.726 423 V HN 0.199 nan 8.190 nan 0.000 0.507 424 F N -0.370 119.590 119.950 0.017 0.000 2.531 424 F HA 0.079 4.602 4.527 -0.005 0.000 0.273 424 F C 2.463 178.280 175.800 0.029 0.000 0.960 424 F CA 0.871 58.879 58.000 0.013 0.000 1.207 424 F CB -1.016 37.983 39.000 -0.002 0.000 1.012 424 F HN 0.086 nan 8.300 nan 0.000 0.738 425 T N -2.014 112.700 114.554 0.266 0.000 3.160 425 T HA 0.242 4.589 4.350 -0.005 0.000 0.257 425 T C 1.853 176.763 174.700 0.351 0.000 1.147 425 T CA 0.680 62.909 62.100 0.216 0.000 1.064 425 T CB -0.706 68.224 68.868 0.103 0.000 0.949 425 T HN 0.561 nan 8.240 nan 0.000 0.526 426 G N 1.021 109.932 108.800 0.186 0.000 2.200 426 G HA2 -0.265 3.692 3.960 -0.005 0.000 0.267 426 G HA3 -0.265 3.692 3.960 -0.005 0.000 0.267 426 G C -0.133 174.693 174.900 -0.124 0.000 0.993 426 G CA 0.771 45.896 45.100 0.041 0.000 0.701 426 G HN 0.781 nan 8.290 nan 0.000 0.524 427 H N -1.981 117.104 119.070 0.025 0.000 2.731 427 H HA 0.678 5.231 4.556 -0.005 0.000 0.368 427 H C -0.194 175.149 175.328 0.025 0.000 1.168 427 H CA -1.069 54.989 56.048 0.016 0.000 1.181 427 H CB 1.467 31.230 29.762 0.002 0.000 1.743 427 H HN 0.130 nan 8.280 nan 0.000 0.547 428 L N 1.635 122.932 121.223 0.123 0.000 2.319 428 L HA 0.380 4.717 4.340 -0.005 0.000 0.280 428 L C 0.853 177.779 176.870 0.094 0.000 1.099 428 L CA 0.180 55.069 54.840 0.081 0.000 0.828 428 L CB 0.499 42.586 42.059 0.046 0.000 1.150 428 L HN 0.850 nan 8.230 nan 0.000 0.442 429 G N 4.024 112.879 108.800 0.092 0.000 2.491 429 G HA2 0.302 4.259 3.960 -0.005 0.000 0.242 429 G HA3 0.302 4.259 3.960 -0.005 0.000 0.242 429 G C -0.497 174.451 174.900 0.080 0.000 1.266 429 G CA -0.508 44.656 45.100 0.107 0.000 0.844 429 G HN 0.447 nan 8.290 nan 0.000 0.571 430 K N 1.036 121.491 120.400 0.093 0.000 2.345 430 K HA 0.304 4.621 4.320 -0.005 0.000 0.255 430 K C -0.958 175.671 176.600 0.050 0.000 0.934 430 K CA -1.026 55.300 56.287 0.065 0.000 0.801 430 K CB 2.249 34.789 32.500 0.068 0.000 1.137 430 K HN 0.325 nan 8.250 nan 0.000 0.424 431 L N 3.947 125.179 121.223 0.015 0.000 2.603 431 L HA 0.258 4.595 4.340 -0.005 0.000 0.242 431 L C -0.883 175.980 176.870 -0.011 0.000 1.169 431 L CA -0.741 54.090 54.840 -0.016 0.000 1.029 431 L CB 0.395 42.428 42.059 -0.043 0.000 1.361 431 L HN 0.242 nan 8.230 nan 0.000 0.439 432 V N 4.650 124.567 119.914 0.004 0.000 2.694 432 V HA 0.152 4.269 4.120 -0.005 0.000 0.306 432 V C -1.658 174.432 176.094 -0.007 0.000 1.054 432 V CA -0.549 61.755 62.300 0.008 0.000 1.161 432 V CB 0.041 31.871 31.823 0.010 0.000 0.916 432 V HN 0.625 nan 8.190 nan 0.000 0.490 433 P HA 0.198 nan 4.420 nan 0.000 0.281 433 P C 0.578 177.875 177.300 -0.004 0.000 1.249 433 P CA -0.636 62.459 63.100 -0.009 0.000 0.810 433 P CB 0.970 32.668 31.700 -0.004 0.000 1.008 434 L N 2.814 124.029 121.223 -0.012 0.000 2.043 434 L HA -0.209 4.128 4.340 -0.005 0.000 0.212 434 L C 2.068 178.915 176.870 -0.039 0.000 1.075 434 L CA 2.081 56.902 54.840 -0.032 0.000 0.752 434 L CB -1.000 41.048 42.059 -0.018 0.000 0.891 434 L HN 0.334 nan 8.230 nan 0.000 0.432 435 K N -0.975 119.419 120.400 -0.009 0.000 2.057 435 K HA -0.154 4.163 4.320 -0.005 0.000 0.207 435 K C 1.959 178.579 176.600 0.033 0.000 1.049 435 K CA 1.346 57.637 56.287 0.007 0.000 0.931 435 K CB -0.056 32.454 32.500 0.017 0.000 0.714 435 K HN 0.303 nan 8.250 nan 0.000 0.440 436 E N 0.046 120.272 120.200 0.043 0.000 2.150 436 E HA -0.092 4.255 4.350 -0.005 0.000 0.193 436 E C 1.985 178.660 176.600 0.125 0.000 0.985 436 E CA 1.062 57.510 56.400 0.079 0.000 0.814 436 E CB -0.299 29.442 29.700 0.068 0.000 0.752 436 E HN 0.247 nan 8.360 nan 0.000 0.466 437 T N 2.154 116.760 114.554 0.088 0.000 2.668 437 T HA -0.092 4.255 4.350 -0.005 0.000 0.262 437 T C 1.927 176.751 174.700 0.207 0.000 1.045 437 T CA 1.196 63.373 62.100 0.127 0.000 1.152 437 T CB -0.099 68.779 68.868 0.016 0.000 0.864 437 T HN 0.081 nan 8.240 nan 0.000 0.419 438 I N 1.252 121.858 120.570 0.060 0.000 2.286 438 I HA -0.089 4.078 4.170 -0.005 0.000 0.248 438 I C 2.184 178.390 176.117 0.149 0.000 1.115 438 I CA 1.420 62.754 61.300 0.056 0.000 1.392 438 I CB -1.226 36.739 38.000 -0.058 0.000 1.065 438 I HN 0.239 nan 8.210 nan 0.000 0.418 439 K N 1.298 121.779 120.400 0.135 0.000 2.002 439 K HA -0.075 4.242 4.320 -0.005 0.000 0.209 439 K C 2.287 179.005 176.600 0.197 0.000 1.048 439 K CA 1.470 57.841 56.287 0.141 0.000 0.930 439 K CB -0.710 31.860 32.500 0.117 0.000 0.714 439 K HN 0.417 nan 8.250 nan 0.000 0.438 440 G N 1.117 110.071 108.800 0.258 0.000 2.764 440 G HA2 -0.298 3.659 3.960 -0.005 0.000 0.219 440 G HA3 -0.298 3.659 3.960 -0.005 0.000 0.219 440 G C 1.275 176.311 174.900 0.228 0.000 1.259 440 G CA 1.441 46.732 45.100 0.318 0.000 0.793 440 G HN 0.211 nan 8.290 nan 0.000 0.633 441 F N 1.087 121.260 119.950 0.372 0.000 2.202 441 F HA -0.082 4.442 4.527 -0.005 0.000 0.301 441 F C 2.913 178.788 175.800 0.124 0.000 1.082 441 F CA 1.681 59.819 58.000 0.231 0.000 1.313 441 F CB -0.477 38.607 39.000 0.141 0.000 1.024 441 F HN 0.260 nan 8.300 nan 0.000 0.495 442 Q N 0.480 120.435 119.800 0.259 0.000 2.045 442 Q HA -0.302 4.035 4.340 -0.005 0.000 0.206 442 Q C 2.172 178.233 176.000 0.101 0.000 0.991 442 Q CA 2.348 58.241 55.803 0.149 0.000 0.851 442 Q CB -0.204 28.605 28.738 0.119 0.000 0.911 442 Q HN 0.485 nan 8.270 nan 0.000 0.418 443 Q N -0.282 119.579 119.800 0.102 0.000 2.084 443 Q HA -0.157 4.180 4.340 -0.005 0.000 0.202 443 Q C 2.149 178.157 176.000 0.013 0.000 0.978 443 Q CA 1.470 57.296 55.803 0.038 0.000 0.844 443 Q CB -0.082 28.731 28.738 0.125 0.000 0.898 443 Q HN 0.478 nan 8.270 nan 0.000 0.426 444 I N 0.789 121.404 120.570 0.076 0.000 2.208 444 I HA -0.269 3.898 4.170 -0.005 0.000 0.245 444 I C 2.284 178.398 176.117 -0.005 0.000 1.097 444 I CA 1.419 62.724 61.300 0.008 0.000 1.363 444 I CB -1.141 36.786 38.000 -0.121 0.000 1.051 444 I HN 0.283 nan 8.210 nan 0.000 0.413 445 L N 0.934 122.181 121.223 0.041 0.000 2.017 445 L HA -0.197 4.140 4.340 -0.005 0.000 0.208 445 L C 2.945 179.818 176.870 0.005 0.000 1.073 445 L CA 1.486 56.347 54.840 0.034 0.000 0.745 445 L CB -0.823 41.274 42.059 0.064 0.000 0.894 445 L HN 0.208 nan 8.230 nan 0.000 0.432 446 A N -0.330 122.489 122.820 -0.001 0.000 1.917 446 A HA -0.135 4.182 4.320 -0.005 0.000 0.219 446 A C 1.907 179.462 177.584 -0.049 0.000 1.182 446 A CA 2.084 54.106 52.037 -0.025 0.000 0.633 446 A CB -0.823 18.152 19.000 -0.041 0.000 0.819 446 A HN 0.657 nan 8.150 nan 0.000 0.448 447 G N -2.017 106.740 108.800 -0.071 0.000 2.168 447 G HA2 -0.187 3.770 3.960 -0.005 0.000 0.197 447 G HA3 -0.187 3.770 3.960 -0.005 0.000 0.197 447 G C 0.468 175.286 174.900 -0.136 0.000 0.997 447 G CA 0.642 45.698 45.100 -0.074 0.000 0.658 447 G HN 0.522 nan 8.290 nan 0.000 0.513 448 E N -0.869 119.165 120.200 -0.276 0.000 2.204 448 E HA -0.055 4.292 4.350 -0.005 0.000 0.195 448 E C 0.830 176.999 176.600 -0.718 0.000 0.990 448 E CA 1.167 57.247 56.400 -0.534 0.000 0.821 448 E CB -0.074 29.156 29.700 -0.783 0.000 0.750 448 E HN 0.728 nan 8.360 nan 0.000 0.477 449 Y N -0.240 120.008 120.300 -0.087 0.000 2.720 449 Y HA 0.159 4.706 4.550 -0.005 0.000 0.268 449 Y C 0.932 176.672 175.900 -0.268 0.000 1.142 449 Y CA -0.642 57.298 58.100 -0.267 0.000 1.193 449 Y CB 0.376 38.791 38.460 -0.075 0.000 1.176 449 Y HN -0.115 nan 8.280 nan 0.000 0.542 450 D N 0.418 120.779 120.400 -0.066 0.000 2.221 450 D HA -0.195 4.442 4.640 -0.005 0.000 0.204 450 D C 2.064 178.370 176.300 0.010 0.000 0.982 450 D CA 1.545 55.540 54.000 -0.008 0.000 0.857 450 D CB 0.029 40.837 40.800 0.013 0.000 0.934 450 D HN 0.633 nan 8.370 nan 0.000 0.475 451 H N -0.407 118.709 119.070 0.077 0.000 2.395 451 H HA 0.031 4.584 4.556 -0.005 0.000 0.299 451 H C 1.352 176.727 175.328 0.077 0.000 1.070 451 H CA 0.059 56.142 56.048 0.059 0.000 1.356 451 H CB -0.586 29.198 29.762 0.036 0.000 1.401 451 H HN 0.098 nan 8.280 nan 0.000 0.524 452 L N 2.867 123.875 121.223 -0.358 0.000 2.503 452 L HA 0.056 4.393 4.340 -0.005 0.000 0.287 452 L C -1.981 174.900 176.870 0.018 0.000 1.252 452 L CA -1.177 53.573 54.840 -0.150 0.000 0.835 452 L CB 0.258 42.171 42.059 -0.244 0.000 1.099 452 L HN 0.231 nan 8.230 nan 0.000 0.516 453 P HA 0.246 nan 4.420 nan 0.000 0.290 453 P C -0.132 177.236 177.300 0.113 0.000 1.283 453 P CA -0.706 62.417 63.100 0.039 0.000 0.869 453 P CB 1.154 32.849 31.700 -0.008 0.000 1.100 454 E N 0.583 120.893 120.200 0.183 0.000 2.037 454 E HA -0.282 4.065 4.350 -0.005 0.000 0.214 454 E C 1.620 178.373 176.600 0.256 0.000 1.041 454 E CA 1.450 58.010 56.400 0.267 0.000 0.872 454 E CB -0.433 29.336 29.700 0.116 0.000 0.785 454 E HN 0.503 nan 8.360 nan 0.000 0.476 455 Q N -0.408 119.452 119.800 0.101 0.000 2.528 455 Q HA -0.160 4.177 4.340 -0.005 0.000 0.217 455 Q C 1.815 177.828 176.000 0.022 0.000 0.988 455 Q CA 0.985 56.834 55.803 0.076 0.000 0.900 455 Q CB -0.162 28.588 28.738 0.020 0.000 0.947 455 Q HN 0.319 nan 8.270 nan 0.000 0.502 456 A N -0.822 121.912 122.820 -0.143 0.000 2.014 456 A HA -0.073 4.244 4.320 -0.005 0.000 0.218 456 A C 1.389 178.724 177.584 -0.415 0.000 1.163 456 A CA 0.655 52.462 52.037 -0.385 0.000 0.652 456 A CB -0.352 18.214 19.000 -0.724 0.000 0.808 456 A HN 0.305 nan 8.150 nan 0.000 0.449 457 F N -2.579 117.358 119.950 -0.022 0.000 2.754 457 F HA 0.203 4.727 4.527 -0.005 0.000 0.297 457 F C 0.767 176.650 175.800 0.137 0.000 1.122 457 F CA -0.556 57.445 58.000 0.002 0.000 1.400 457 F CB -0.403 38.577 39.000 -0.034 0.000 1.117 457 F HN 0.240 nan 8.300 nan 0.000 0.587 458 Y N 2.441 122.843 120.300 0.170 0.000 2.544 458 Y HA 0.178 4.725 4.550 -0.005 0.000 0.330 458 Y C 0.710 176.657 175.900 0.078 0.000 1.136 458 Y CA -1.210 56.962 58.100 0.120 0.000 1.417 458 Y CB 0.135 38.640 38.460 0.075 0.000 1.229 458 Y HN 0.035 nan 8.280 nan 0.000 0.532 459 M N 6.220 125.568 119.600 -0.420 0.000 3.241 459 M HA -0.166 4.311 4.480 -0.005 0.000 0.169 459 M C -1.073 175.155 176.300 -0.120 0.000 1.333 459 M CA 1.079 56.148 55.300 -0.385 0.000 0.838 459 M CB -2.584 29.616 32.600 -0.668 0.000 1.258 459 M HN 0.492 nan 8.290 nan 0.000 0.656 460 V N -1.809 118.105 119.914 0.000 0.000 3.165 460 V HA 1.091 5.208 4.120 -0.005 0.000 0.309 460 V C 0.469 176.621 176.094 0.096 0.000 1.267 460 V CA -0.090 62.244 62.300 0.057 0.000 1.067 460 V CB 1.683 33.552 31.823 0.077 0.000 1.082 460 V HN 0.507 nan 8.190 nan 0.000 0.451 461 G N -0.229 108.633 108.800 0.103 0.000 2.992 461 G HA2 0.544 4.501 3.960 -0.005 0.000 0.201 461 G HA3 0.544 4.501 3.960 -0.005 0.000 0.201 461 G C -2.567 172.447 174.900 0.189 0.000 2.057 461 G CA -0.499 44.663 45.100 0.103 0.000 0.800 461 G HN 0.692 nan 8.290 nan 0.000 0.700 462 P HA 0.246 nan 4.420 nan 0.000 0.275 462 P C 0.774 178.164 177.300 0.150 0.000 1.228 462 P CA -0.596 62.615 63.100 0.184 0.000 0.786 462 P CB 1.433 33.189 31.700 0.093 0.000 0.927 463 I N 1.932 122.567 120.570 0.109 0.000 2.290 463 I HA -0.351 3.816 4.170 -0.005 0.000 0.253 463 I C 1.640 177.597 176.117 -0.267 0.000 1.112 463 I CA 1.949 63.080 61.300 -0.283 0.000 1.377 463 I CB -0.263 37.516 38.000 -0.369 0.000 1.060 463 I HN 0.362 nan 8.210 nan 0.000 0.428 464 E N 0.570 120.701 120.200 -0.116 0.000 2.130 464 E HA -0.261 4.086 4.350 -0.005 0.000 0.196 464 E C 2.039 178.567 176.600 -0.120 0.000 0.998 464 E CA 1.764 58.104 56.400 -0.100 0.000 0.806 464 E CB -0.269 29.411 29.700 -0.033 0.000 0.738 464 E HN 0.634 nan 8.360 nan 0.000 0.459 465 E N -0.031 120.115 120.200 -0.091 0.000 2.208 465 E HA -0.061 4.286 4.350 -0.005 0.000 0.193 465 E C 1.984 178.486 176.600 -0.164 0.000 0.988 465 E CA 0.704 57.054 56.400 -0.083 0.000 0.828 465 E CB -0.067 29.622 29.700 -0.018 0.000 0.763 465 E HN 0.280 nan 8.360 nan 0.000 0.478 466 A N 1.277 123.934 122.820 -0.272 0.000 1.969 466 A HA -0.103 4.214 4.320 -0.005 0.000 0.218 466 A C 2.482 179.757 177.584 -0.514 0.000 1.169 466 A CA 0.918 52.665 52.037 -0.484 0.000 0.635 466 A CB -0.399 18.185 19.000 -0.694 0.000 0.810 466 A HN 0.105 nan 8.150 nan 0.000 0.445 467 V N -0.311 119.368 119.914 -0.391 0.000 2.283 467 V HA -0.152 3.964 4.120 -0.005 0.000 0.243 467 V C 2.992 178.986 176.094 -0.167 0.000 1.039 467 V CA 1.750 63.890 62.300 -0.267 0.000 1.016 467 V CB -1.447 30.271 31.823 -0.176 0.000 0.650 467 V HN 0.541 nan 8.190 nan 0.000 0.449 468 A N -0.302 122.437 122.820 -0.134 0.000 1.933 468 A HA -0.234 4.083 4.320 -0.005 0.000 0.218 468 A C 2.359 179.888 177.584 -0.091 0.000 1.175 468 A CA 2.067 54.052 52.037 -0.087 0.000 0.628 468 A CB -0.513 18.449 19.000 -0.063 0.000 0.814 468 A HN 0.485 nan 8.150 nan 0.000 0.444 469 K N -0.403 119.924 120.400 -0.121 0.000 2.147 469 K HA -0.085 4.232 4.320 -0.005 0.000 0.205 469 K C 2.162 178.694 176.600 -0.113 0.000 1.049 469 K CA 1.009 57.234 56.287 -0.103 0.000 0.936 469 K CB -0.270 32.157 32.500 -0.122 0.000 0.722 469 K HN 0.419 nan 8.250 nan 0.000 0.446 470 A N 1.468 124.189 122.820 -0.165 0.000 1.902 470 A HA -0.203 4.114 4.320 -0.005 0.000 0.217 470 A C 1.609 179.149 177.584 -0.074 0.000 1.181 470 A CA 2.020 53.971 52.037 -0.142 0.000 0.623 470 A CB -0.520 18.372 19.000 -0.180 0.000 0.818 470 A HN 0.302 nan 8.150 nan 0.000 0.443 471 D N -0.190 120.172 120.400 -0.063 0.000 2.092 471 D HA -0.121 4.516 4.640 -0.005 0.000 0.193 471 D C 1.837 178.119 176.300 -0.030 0.000 0.994 471 D CA 1.518 55.496 54.000 -0.036 0.000 0.828 471 D CB -0.226 40.554 40.800 -0.033 0.000 0.963 471 D HN 0.472 nan 8.370 nan 0.000 0.450 472 K N -0.229 120.151 120.400 -0.033 0.000 2.442 472 K HA 0.076 4.393 4.320 -0.005 0.000 0.198 472 K C 0.970 177.558 176.600 -0.020 0.000 1.042 472 K CA 0.357 56.631 56.287 -0.022 0.000 0.958 472 K CB 0.264 32.754 32.500 -0.018 0.000 0.766 472 K HN 0.170 nan 8.250 nan 0.000 0.474 473 L N 0.730 121.935 121.223 -0.029 0.000 2.928 473 L HA 0.304 4.641 4.340 -0.005 0.000 0.246 473 L C 0.151 177.010 176.870 -0.019 0.000 1.239 473 L CA -0.512 54.314 54.840 -0.024 0.000 1.035 473 L CB -0.889 41.150 42.059 -0.033 0.000 1.360 473 L HN 0.138 nan 8.230 nan 0.000 0.529 474 A N 0.000 122.810 122.820 -0.017 0.000 2.254 474 A HA 0.000 4.317 4.320 -0.005 0.000 0.244 474 A CA 0.000 52.031 52.037 -0.011 0.000 0.836 474 A CB 0.000 18.996 19.000 -0.007 0.000 0.831 474 A HN 0.000 nan 8.150 nan 0.000 0.486