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 2w6g_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 1.869 116.540 114.554 0.194 0.000 2.809 10 T HA 0.723 5.072 4.350 -0.001 0.000 0.296 10 T C 0.643 175.261 174.700 -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 2.249 110.741 108.800 -0.514 0.000 2.521 11 G HA2 0.722 4.681 3.960 -0.001 0.000 0.323 11 G HA3 0.722 4.681 3.960 -0.001 0.000 0.323 11 G C -0.566 174.042 174.900 -0.487 0.000 1.211 11 G CA -0.920 43.582 45.100 -0.997 0.000 0.979 11 G HN 0.565 nan 8.290 nan 0.000 0.490 12 R N -1.117 119.141 120.500 -0.403 0.000 2.828 12 R HA 0.470 4.809 4.340 -0.001 0.000 0.264 12 R C -0.422 175.762 176.300 -0.194 0.000 1.022 12 R CA -0.846 55.121 56.100 -0.222 0.000 1.021 12 R CB 2.086 32.296 30.300 -0.150 0.000 1.163 12 R HN 0.326 nan 8.270 nan 0.000 0.494 13 I N 2.538 123.036 120.570 -0.120 0.000 2.371 13 I HA 0.025 4.195 4.170 -0.001 0.000 0.290 13 I C 1.395 177.473 176.117 -0.065 0.000 1.028 13 I CA -0.093 61.157 61.300 -0.083 0.000 1.345 13 I CB 1.565 39.532 38.000 -0.055 0.000 1.407 13 I HN 0.554 nan 8.210 nan 0.000 0.501 14 V N 3.138 123.020 119.914 -0.053 0.000 3.263 14 V HA 0.509 4.628 4.120 -0.001 0.000 0.248 14 V C 0.658 176.737 176.094 -0.025 0.000 1.145 14 V CA 0.356 62.633 62.300 -0.038 0.000 1.107 14 V CB 0.051 31.854 31.823 -0.033 0.000 0.797 14 V HN 0.722 nan 8.190 nan 0.000 0.467 15 A N -0.486 122.322 122.820 -0.020 0.000 2.589 15 A HA 0.795 5.114 4.320 -0.001 0.000 0.296 15 A C -1.335 176.244 177.584 -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 2.125 122.034 119.914 -0.008 0.000 2.488 16 V HA 0.464 4.583 4.120 -0.001 0.000 0.293 16 V C -0.899 175.193 176.094 -0.003 0.000 1.027 16 V CA 0.041 62.338 62.300 -0.005 0.000 0.862 16 V CB 1.246 33.065 31.823 -0.006 0.000 1.008 16 V HN 0.689 nan 8.190 nan 0.000 0.428 17 I N 4.931 125.500 120.570 -0.001 0.000 2.595 17 I HA 0.633 4.802 4.170 -0.001 0.000 0.275 17 I C 0.971 177.087 176.117 -0.001 0.000 1.092 17 I CA 0.200 61.499 61.300 -0.002 0.000 1.145 17 I CB 1.148 39.147 38.000 -0.001 0.000 1.276 17 I HN 0.865 nan 8.210 nan 0.000 0.497 18 G N 4.396 113.195 108.800 -0.002 0.000 2.531 18 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.274 18 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.274 18 G C 0.516 175.416 174.900 -0.000 0.000 1.159 18 G CA 0.126 45.225 45.100 -0.002 0.000 0.969 18 G HN 0.836 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 0.626 4.946 4.320 -0.001 0.000 0.279 19 A C 0.201 177.789 177.584 0.006 0.000 1.386 19 A CA 0.906 52.945 52.037 0.003 0.000 0.987 19 A CB -0.115 18.886 19.000 0.002 0.000 1.041 19 A HN 1.573 nan 8.150 nan 0.000 0.569 20 V N 0.845 120.762 119.914 0.006 0.000 2.447 20 V HA 0.279 4.399 4.120 -0.001 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 1.691 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 3.607 123.530 119.914 0.015 0.000 2.435 21 V HA 0.541 4.660 4.120 -0.001 0.000 0.290 21 V C -0.524 175.581 176.094 0.019 0.000 1.030 21 V CA -0.662 61.645 62.300 0.013 0.000 0.881 21 V CB 1.941 33.772 31.823 0.012 0.000 0.983 21 V HN 0.739 nan 8.190 nan 0.000 0.445 22 D N 3.004 123.410 120.400 0.010 0.000 2.193 22 D HA 0.618 5.257 4.640 -0.001 0.000 0.244 22 D C -0.627 175.673 176.300 -0.001 0.000 1.064 22 D CA -0.062 53.946 54.000 0.015 0.000 0.845 22 D CB 2.190 42.996 40.800 0.009 0.000 1.148 22 D HN 0.290 nan 8.370 nan 0.000 0.464 23 V N 2.296 122.220 119.914 0.016 0.000 2.588 23 V HA 0.334 4.453 4.120 -0.001 0.000 0.304 23 V C -0.250 175.821 176.094 -0.038 0.000 1.042 23 V CA -0.890 61.382 62.300 -0.046 0.000 0.877 23 V CB 1.924 33.733 31.823 -0.023 0.000 0.996 23 V HN 0.406 nan 8.190 nan 0.000 0.425 24 Q N 3.295 123.006 119.800 -0.148 0.000 2.307 24 Q HA 0.586 4.925 4.340 -0.001 0.000 0.262 24 Q C -1.826 174.034 176.000 -0.233 0.000 0.961 24 Q CA -0.477 55.275 55.803 -0.085 0.000 0.882 24 Q CB 1.271 29.972 28.738 -0.063 0.000 1.264 24 Q HN 0.621 nan 8.270 nan 0.000 0.446 25 F N 2.465 122.387 119.950 -0.046 0.000 2.421 25 F HA 0.246 4.780 4.527 0.011 0.000 0.337 25 F C 0.969 176.750 175.800 -0.031 0.000 1.105 25 F CA -0.384 57.594 58.000 -0.037 0.000 1.049 25 F CB 1.486 40.458 39.000 -0.046 0.000 1.139 25 F HN 0.647 nan 8.300 nan 0.000 0.479 26 D N 1.484 121.955 120.400 0.117 0.000 2.146 26 D HA -0.027 4.612 4.640 -0.001 0.000 0.209 26 D C -0.186 176.163 176.300 0.081 0.000 0.973 26 D CA 1.211 55.251 54.000 0.067 0.000 0.860 26 D CB 0.250 41.067 40.800 0.028 0.000 1.015 26 D HN 0.517 nan 8.370 nan 0.000 0.465 27 E N -0.439 119.821 120.200 0.100 0.000 2.187 27 E HA 0.522 4.871 4.350 -0.001 0.000 0.268 27 E C -0.326 176.324 176.600 0.084 0.000 0.896 27 E CA -0.555 55.889 56.400 0.072 0.000 0.766 27 E CB 2.136 31.867 29.700 0.051 0.000 1.142 27 E HN 0.189 nan 8.360 nan 0.000 0.408 28 G N 2.302 111.121 108.800 0.032 0.000 3.273 28 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.325 28 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.325 28 G C -1.066 173.738 174.900 -0.161 0.000 0.960 28 G CA -0.725 44.358 45.100 -0.029 0.000 0.808 28 G HN 0.323 nan 8.290 nan 0.000 0.387 29 L N 5.968 127.061 121.223 -0.216 0.000 2.264 29 L HA 0.619 4.958 4.340 -0.001 0.000 0.289 29 L C -1.386 175.260 176.870 -0.374 0.000 1.044 29 L CA -2.155 52.431 54.840 -0.424 0.000 0.807 29 L CB 0.969 42.864 42.059 -0.272 0.000 1.192 29 L HN 0.413 nan 8.230 nan 0.000 0.425 30 P HA 0.155 nan 4.420 nan 0.000 0.265 30 P C -2.653 174.661 177.300 0.024 0.000 1.193 30 P CA -0.951 61.989 63.100 -0.267 0.000 0.765 30 P CB -0.257 31.266 31.700 -0.296 0.000 0.823 31 P HA 0.143 nan 4.420 nan 0.000 0.273 31 P C 0.270 177.576 177.300 0.009 0.000 1.250 31 P CA -0.176 62.934 63.100 0.016 0.000 0.793 31 P CB 0.660 32.335 31.700 -0.043 0.000 1.011 32 I N 1.404 121.895 120.570 -0.131 0.000 2.618 32 I HA -0.044 4.125 4.170 -0.001 0.000 0.284 32 I C 1.488 177.558 176.117 -0.078 0.000 1.146 32 I CA 0.670 61.914 61.300 -0.094 0.000 1.425 32 I CB -0.292 37.603 38.000 -0.175 0.000 1.383 32 I HN 0.397 nan 8.210 nan 0.000 0.562 33 L N 2.327 123.517 121.223 -0.056 0.000 2.583 33 L HA -0.213 4.126 4.340 -0.001 0.000 0.464 33 L C 0.276 177.175 176.870 0.048 0.000 0.736 33 L CA -0.072 54.728 54.840 -0.066 0.000 2.687 33 L CB -1.326 40.611 42.059 -0.203 0.000 1.013 33 L HN 0.636 nan 8.230 nan 0.000 0.629 34 N N 1.094 119.816 118.700 0.036 0.000 2.381 34 N HA 0.459 5.198 4.740 -0.001 0.000 0.241 34 N C 0.204 175.757 175.510 0.072 0.000 1.279 34 N CA 1.002 54.083 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 1.848 124.711 122.820 0.072 0.000 2.292 35 A HA 0.602 4.921 4.320 -0.001 0.000 0.319 35 A C -0.563 177.067 177.584 0.076 0.000 1.206 35 A CA -0.630 51.451 52.037 0.073 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 1.925 123.200 121.223 0.088 0.000 2.334 36 L HA 0.546 4.886 4.340 -0.001 0.000 0.273 36 L C -0.236 176.681 176.870 0.078 0.000 1.013 36 L CA -0.827 54.079 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 2.064 122.307 120.200 0.071 0.000 2.166 37 E HA 0.361 4.710 4.350 -0.001 0.000 0.275 37 E C -0.872 175.750 176.600 0.036 0.000 0.941 37 E CA -0.676 55.752 56.400 0.047 0.000 0.784 37 E CB 2.914 32.639 29.700 0.042 0.000 1.115 37 E HN 0.202 nan 8.360 nan 0.000 0.399 38 V N 3.607 123.535 119.914 0.024 0.000 2.530 38 V HA 0.037 4.156 4.120 -0.001 0.000 0.282 38 V C 0.431 176.529 176.094 0.006 0.000 1.048 38 V CA -0.608 61.698 62.300 0.009 0.000 0.997 38 V CB 1.023 32.849 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 4.798 4.340 -0.001 0.000 0.252 39 Q C 0.931 176.929 176.000 -0.003 0.000 0.915 39 Q CA 0.518 56.321 55.803 -0.001 0.000 0.915 39 Q CB 1.299 30.034 28.738 -0.005 0.000 1.204 39 Q HN 1.186 nan 8.270 nan 0.000 0.421 40 G N 2.728 111.528 108.800 -0.000 0.000 2.325 40 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.248 40 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.248 40 G C -0.274 174.626 174.900 -0.001 0.000 1.108 40 G CA -0.300 44.799 45.100 -0.001 0.000 0.881 40 G HN 0.448 nan 8.290 nan 0.000 0.494 41 R N -0.381 120.120 120.500 0.002 0.000 2.538 41 R HA 0.322 4.661 4.340 -0.001 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 31.441 30.300 0.003 0.000 1.187 41 R HN 0.119 nan 8.270 nan 0.000 0.440 42 E N 0.698 120.900 120.200 0.003 0.000 2.217 42 E HA -0.236 4.113 4.350 -0.001 0.000 0.219 42 E C 0.753 177.356 176.600 0.005 0.000 1.070 42 E CA 2.359 58.761 56.400 0.004 0.000 0.889 42 E CB 0.133 29.835 29.700 0.004 0.000 0.768 42 E HN 0.728 nan 8.360 nan 0.000 0.465 43 T N -3.041 111.516 114.554 0.004 0.000 2.888 43 T HA 0.523 4.872 4.350 -0.001 0.000 0.288 43 T C -0.047 174.656 174.700 0.005 0.000 1.063 43 T CA -0.947 61.155 62.100 0.005 0.000 1.010 43 T CB 2.196 71.067 68.868 0.004 0.000 1.214 43 T HN -0.063 nan 8.240 nan 0.000 0.533 44 R N 0.428 120.931 120.500 0.005 0.000 2.370 44 R HA 0.426 4.765 4.340 -0.001 0.000 0.309 44 R C -1.148 175.156 176.300 0.007 0.000 1.059 44 R CA -0.520 55.584 56.100 0.006 0.000 0.981 44 R CB -0.140 30.162 30.300 0.003 0.000 0.972 44 R HN 0.521 nan 8.270 nan 0.000 0.437 45 L N 6.087 127.317 121.223 0.010 0.000 2.318 45 L HA 0.336 4.675 4.340 -0.001 0.000 0.277 45 L C -1.259 175.623 176.870 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 43.878 42.059 0.011 0.000 1.220 45 L HN 0.324 nan 8.230 nan 0.000 0.423 46 V N 6.359 126.286 119.914 0.020 0.000 2.394 46 V HA 0.399 4.518 4.120 -0.001 0.000 0.282 46 V C 0.062 176.177 176.094 0.036 0.000 1.031 46 V CA -0.551 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 4.756 126.007 121.223 0.047 0.000 2.262 47 L HA 0.491 4.830 4.340 -0.001 0.000 0.288 47 L C 0.409 177.318 176.870 0.066 0.000 1.035 47 L CA -0.171 54.701 54.840 0.053 0.000 0.820 47 L CB 1.291 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 2.787 123.027 120.200 0.066 0.000 2.331 48 E HA 0.285 4.634 4.350 -0.001 0.000 0.272 48 E C -0.865 175.777 176.600 0.070 0.000 1.036 48 E CA -0.678 55.770 56.400 0.080 0.000 0.864 48 E CB 1.597 31.358 29.700 0.102 0.000 1.035 48 E HN 0.275 nan 8.360 nan 0.000 0.408 49 V N 3.537 123.493 119.914 0.069 0.000 2.686 49 V HA 0.278 4.397 4.120 -0.001 0.000 0.295 49 V C 0.747 176.865 176.094 0.040 0.000 1.055 49 V CA 0.790 63.132 62.300 0.070 0.000 1.050 49 V CB 1.122 32.996 31.823 0.086 0.000 0.984 49 V HN 0.910 nan 8.190 nan 0.000 0.482 50 A N 3.831 126.681 122.820 0.051 0.000 2.140 50 A HA 0.415 4.734 4.320 -0.001 0.000 0.199 50 A C 0.488 178.089 177.584 0.029 0.000 1.416 50 A CA 0.074 52.122 52.037 0.019 0.000 1.018 50 A CB 0.513 19.523 19.000 0.016 0.000 1.117 50 A HN 0.770 nan 8.150 nan 0.000 0.480 51 Q N -1.130 118.723 119.800 0.089 0.000 2.522 51 Q HA 0.337 4.676 4.340 -0.001 0.000 0.285 51 Q C -1.647 174.511 176.000 0.264 0.000 0.982 51 Q CA -0.637 55.232 55.803 0.111 0.000 0.805 51 Q CB 1.480 30.258 28.738 0.066 0.000 1.457 51 Q HN 0.543 nan 8.270 nan 0.000 0.394 52 H N 1.990 121.058 119.070 -0.003 0.000 2.680 52 H HA 0.235 4.792 4.556 0.002 0.000 0.260 52 H C 0.634 175.967 175.328 0.008 0.000 1.328 52 H CA -0.166 55.884 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 2.053 123.322 121.223 0.076 0.000 2.551 53 L HA -0.022 4.317 4.340 -0.001 0.000 0.230 53 L C 1.228 178.118 176.870 0.033 0.000 1.163 53 L CA 0.689 55.557 54.840 0.046 0.000 0.826 53 L CB -0.507 41.570 42.059 0.029 0.000 0.943 53 L HN 0.738 nan 8.230 nan 0.000 0.452 54 G N 0.377 109.194 108.800 0.027 0.000 2.705 54 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.686 54 G HA3 -0.187 3.772 3.960 -0.001 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 0.413 nan 8.290 nan 0.000 0.611 55 E N -0.562 119.640 120.200 0.004 0.000 2.645 55 E HA -0.172 4.177 4.350 -0.001 0.000 0.282 55 E C 1.011 177.612 176.600 0.002 0.000 1.013 55 E CA 1.055 57.458 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 2.110 nan 8.360 nan 0.000 0.404 56 S N -1.994 113.702 115.700 -0.007 0.000 3.561 56 S HA -0.209 4.260 4.470 -0.001 0.000 0.318 56 S C 0.092 174.708 174.600 0.027 0.000 1.181 56 S CA 1.517 59.721 58.200 0.006 0.000 0.916 56 S CB -1.004 62.218 63.200 0.037 0.000 0.966 56 S HN 0.439 nan 8.310 nan 0.000 0.550 57 T N 1.402 115.951 114.554 -0.009 0.000 2.863 57 T HA 0.643 4.992 4.350 -0.001 0.000 0.285 57 T C 0.235 174.927 174.700 -0.015 0.000 1.009 57 T CA -0.359 61.753 62.100 0.020 0.000 0.989 57 T CB 1.920 70.795 68.868 0.012 0.000 1.004 57 T HN 0.474 nan 8.240 nan 0.000 0.455 58 V N 1.188 121.127 119.914 0.043 0.000 2.732 58 V HA 0.771 4.891 4.120 -0.001 0.000 0.310 58 V C -0.220 175.916 176.094 0.069 0.000 1.053 58 V CA -1.356 60.966 62.300 0.037 0.000 0.957 58 V CB 1.591 33.460 31.823 0.077 0.000 1.018 58 V HN 0.850 nan 8.190 nan 0.000 0.452 59 R N 2.132 122.677 120.500 0.074 0.000 2.310 59 R HA 0.684 5.024 4.340 -0.001 0.000 0.324 59 R C -0.162 176.176 176.300 0.063 0.000 0.955 59 R CA 0.212 56.347 56.100 0.058 0.000 0.830 59 R CB 1.333 31.660 30.300 0.045 0.000 1.154 59 R HN 1.162 nan 8.270 nan 0.000 0.458 60 T N 1.737 116.325 114.554 0.056 0.000 2.926 60 T HA 0.584 4.933 4.350 -0.001 0.000 0.289 60 T C 0.174 174.897 174.700 0.039 0.000 1.054 60 T CA -1.030 61.104 62.100 0.055 0.000 1.015 60 T CB 1.186 70.095 68.868 0.068 0.000 1.167 60 T HN 0.563 nan 8.240 nan 0.000 0.526 61 I N -0.397 120.195 120.570 0.038 0.000 2.389 61 I HA 0.800 4.969 4.170 -0.001 0.000 0.288 61 I C 0.224 176.359 176.117 0.031 0.000 0.999 61 I CA -1.468 59.849 61.300 0.028 0.000 1.129 61 I CB 1.201 39.215 38.000 0.023 0.000 1.288 61 I HN 0.884 nan 8.210 nan 0.000 0.444 62 A N 7.109 129.944 122.820 0.023 0.000 2.462 62 A HA 0.391 4.710 4.320 -0.001 0.000 0.243 62 A C 0.857 178.453 177.584 0.021 0.000 1.076 62 A CA -0.239 51.812 52.037 0.022 0.000 0.773 62 A CB 0.373 19.382 19.000 0.015 0.000 1.010 62 A HN 0.885 nan 8.150 nan 0.000 0.493 63 M N 0.744 120.357 119.600 0.022 0.000 2.431 63 M HA 0.192 4.672 4.480 -0.001 0.000 0.237 63 M C -0.075 176.233 176.300 0.014 0.000 1.130 63 M CA 0.582 55.894 55.300 0.019 0.000 1.002 63 M CB -1.271 31.341 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 5.076 4.640 -0.001 0.000 0.290 64 D C -0.332 175.973 176.300 0.007 0.000 1.281 64 D CA -0.317 53.689 54.000 0.009 0.000 0.804 64 D CB 1.019 41.824 40.800 0.008 0.000 1.331 64 D HN 0.122 nan 8.370 nan 0.000 0.432 65 G N -0.209 108.594 108.800 0.005 0.000 2.115 65 G HA2 0.213 4.172 3.960 -0.001 0.000 0.244 65 G HA3 0.213 4.172 3.960 -0.001 0.000 0.244 65 G C 0.965 175.867 174.900 0.004 0.000 1.105 65 G CA 0.743 45.846 45.100 0.004 0.000 0.893 65 G HN 0.529 nan 8.290 nan 0.000 0.443 66 T N -0.394 114.161 114.554 0.003 0.000 3.144 66 T HA 0.157 4.506 4.350 -0.001 0.000 0.249 66 T C 0.581 175.281 174.700 -0.000 0.000 1.089 66 T CA -0.059 62.042 62.100 0.002 0.000 0.989 66 T CB -0.190 68.679 68.868 0.002 0.000 0.992 66 T HN 0.662 nan 8.240 nan 0.000 0.540 67 E N 1.341 121.541 120.200 -0.000 0.000 2.558 67 E HA 0.385 4.734 4.350 -0.001 0.000 0.255 67 E C 1.435 178.034 176.600 -0.002 0.000 0.968 67 E CA 0.602 57.001 56.400 -0.001 0.000 0.939 67 E CB -0.417 29.283 29.700 -0.000 0.000 0.921 67 E HN 0.342 nan 8.360 nan 0.000 0.477 68 G N 2.523 111.321 108.800 -0.003 0.000 2.268 68 G HA2 -0.317 3.642 3.960 -0.001 0.000 0.240 68 G HA3 -0.317 3.642 3.960 -0.001 0.000 0.240 68 G C 0.328 175.225 174.900 -0.005 0.000 1.010 68 G CA -0.044 45.054 45.100 -0.004 0.000 0.618 68 G HN 0.427 nan 8.290 nan 0.000 0.516 69 L N 0.635 121.855 121.223 -0.006 0.000 2.503 69 L HA 0.361 4.700 4.340 -0.001 0.000 0.287 69 L C 0.656 177.519 176.870 -0.011 0.000 1.252 69 L CA 0.230 55.065 54.840 -0.009 0.000 0.835 69 L CB 0.542 42.596 42.059 -0.009 0.000 1.099 69 L HN 0.060 nan 8.230 nan 0.000 0.516 70 V N 2.074 121.979 119.914 -0.015 0.000 2.638 70 V HA 0.345 4.464 4.120 -0.001 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 1.827 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 2.307 122.794 120.500 -0.022 0.000 2.538 71 R HA 0.392 4.731 4.340 -0.001 0.000 0.282 71 R C 1.356 177.637 176.300 -0.032 0.000 1.009 71 R CA 1.245 57.329 56.100 -0.027 0.000 1.063 71 R CB 0.173 30.459 30.300 -0.023 0.000 0.945 71 R HN 1.214 nan 8.270 nan 0.000 0.414 72 G N 1.765 110.539 108.800 -0.044 0.000 2.254 72 G HA2 -0.331 3.628 3.960 -0.001 0.000 0.225 72 G HA3 -0.331 3.628 3.960 -0.001 0.000 0.225 72 G C 0.265 175.133 174.900 -0.053 0.000 1.003 72 G CA 0.126 45.197 45.100 -0.048 0.000 0.622 72 G HN 0.607 nan 8.290 nan 0.000 0.507 73 Q N 1.311 121.083 119.800 -0.046 0.000 2.394 73 Q HA 0.344 4.683 4.340 -0.001 0.000 0.303 73 Q C 0.351 176.314 176.000 -0.062 0.000 1.117 73 Q CA 0.769 56.546 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 1.490 121.858 120.400 -0.054 0.000 2.143 74 K HA 0.455 4.774 4.320 -0.001 0.000 0.272 74 K C -1.325 175.237 176.600 -0.063 0.000 1.001 74 K CA -0.626 55.621 56.287 -0.068 0.000 0.915 74 K CB 1.457 33.930 32.500 -0.045 0.000 1.047 74 K HN 0.341 nan 8.250 nan 0.000 0.458 75 V N 4.144 124.000 119.914 -0.096 0.000 2.577 75 V HA 0.314 4.433 4.120 -0.001 0.000 0.303 75 V C -0.670 175.421 176.094 -0.006 0.000 1.042 75 V CA -0.879 61.387 62.300 -0.057 0.000 0.872 75 V CB 1.608 33.382 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 4.778 4.340 -0.001 0.000 0.286 76 L C -0.051 176.916 176.870 0.162 0.000 1.024 76 L CA -0.515 54.392 54.840 0.112 0.000 0.826 76 L CB 1.427 43.527 42.059 0.069 0.000 1.211 76 L HN 0.688 nan 8.230 nan 0.000 0.422 77 D N 1.968 122.515 120.400 0.245 0.000 2.389 77 D HA -0.082 4.557 4.640 -0.001 0.000 0.263 77 D C 1.211 177.566 176.300 0.091 0.000 1.255 77 D CA 0.148 54.247 54.000 0.165 0.000 0.914 77 D CB 1.119 41.962 40.800 0.072 0.000 1.116 77 D HN 0.514 nan 8.370 nan 0.000 0.502 78 S N 2.746 118.492 115.700 0.077 0.000 2.660 78 S HA 0.090 4.560 4.470 -0.001 0.000 0.228 78 S C 1.688 176.317 174.600 0.047 0.000 0.966 78 S CA 0.199 58.435 58.200 0.061 0.000 0.940 78 S CB -0.670 62.567 63.200 0.061 0.000 0.773 78 S HN 0.882 nan 8.310 nan 0.000 0.535 79 G N 0.209 109.029 108.800 0.033 0.000 2.296 79 G HA2 0.052 4.011 3.960 -0.001 0.000 0.282 79 G HA3 0.052 4.011 3.960 -0.001 0.000 0.282 79 G C 0.211 175.125 174.900 0.023 0.000 1.014 79 G CA 0.183 45.292 45.100 0.015 0.000 0.812 79 G HN 1.749 nan 8.290 nan 0.000 0.508 80 A N -1.544 121.297 122.820 0.035 0.000 2.583 80 A HA 0.817 5.136 4.320 -0.001 0.000 0.292 80 A C -2.866 174.753 177.584 0.060 0.000 1.045 80 A CA -0.446 51.618 52.037 0.045 0.000 0.672 80 A CB 1.027 20.057 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 -0.151 177.188 177.300 0.066 0.000 1.254 81 P CA -0.131 63.037 63.100 0.114 0.000 0.795 81 P CB 0.228 32.037 31.700 0.183 0.000 1.022 82 I N 0.884 121.482 120.570 0.046 0.000 2.742 82 I HA -0.080 4.089 4.170 -0.001 0.000 0.287 82 I C 1.341 177.436 176.117 -0.037 0.000 1.186 82 I CA 0.957 62.251 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 7.544 128.021 120.500 -0.040 0.000 2.711 83 R HA 0.786 5.125 4.340 -0.001 0.000 0.284 83 R C -0.727 175.463 176.300 -0.183 0.000 0.968 83 R CA -0.927 55.141 56.100 -0.053 0.000 0.924 83 R CB 2.289 32.612 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 0.564 4.734 4.170 -0.001 0.000 0.307 84 I C -2.734 173.118 176.117 -0.442 0.000 1.149 84 I CA -3.330 57.753 61.300 -0.361 0.000 1.008 84 I CB 2.604 40.476 38.000 -0.214 0.000 1.232 84 I HN 0.293 nan 8.210 nan 0.000 0.435 85 P HA 0.148 nan 4.420 nan 0.000 0.267 85 P C -0.552 176.636 177.300 -0.185 0.000 1.209 85 P CA -0.018 62.886 63.100 -0.327 0.000 0.763 85 P CB 0.740 32.295 31.700 -0.241 0.000 0.816 86 V N 0.809 120.630 119.914 -0.156 0.000 2.960 86 V HA 1.023 5.142 4.120 -0.001 0.000 0.315 86 V C 0.281 176.004 176.094 -0.618 0.000 1.087 86 V CA -0.246 61.855 62.300 -0.332 0.000 0.982 86 V CB 1.370 33.022 31.823 -0.285 0.000 1.039 86 V HN 0.927 nan 8.190 nan 0.000 0.437 87 G N 2.698 110.837 108.800 -1.102 0.000 2.343 87 G HA2 0.086 4.046 3.960 -0.001 0.000 0.562 87 G HA3 0.086 4.046 3.960 -0.001 0.000 0.562 87 G C -2.717 172.031 174.900 -0.252 0.000 1.269 87 G CA -0.034 44.331 45.100 -1.225 0.000 1.011 87 G HN 0.596 nan 8.290 nan 0.000 0.498 88 P HA 0.015 nan 4.420 nan 0.000 0.216 88 P C 1.457 178.775 177.300 0.031 0.000 1.153 88 P CA 1.791 65.002 63.100 0.186 0.000 0.848 88 P CB 0.013 31.814 31.700 0.167 0.000 0.787 89 E N -0.323 119.875 120.200 -0.002 0.000 2.520 89 E HA -0.069 4.280 4.350 -0.001 0.000 0.201 89 E C 1.017 177.599 176.600 -0.031 0.000 1.122 89 E CA 1.188 57.577 56.400 -0.018 0.000 0.896 89 E CB -1.223 28.472 29.700 -0.009 0.000 0.891 89 E HN 0.380 nan 8.360 nan 0.000 0.533 90 T N -1.805 112.734 114.554 -0.025 0.000 3.023 90 T HA 0.142 4.492 4.350 -0.001 0.000 0.249 90 T C 1.124 175.804 174.700 -0.032 0.000 1.050 90 T CA -0.372 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 0.047 nan 8.240 nan 0.000 0.480 91 L N 2.335 123.528 121.223 -0.050 0.000 2.578 91 L HA 0.368 4.707 4.340 -0.001 0.000 0.279 91 L C 1.786 178.602 176.870 -0.090 0.000 1.227 91 L CA 1.090 55.852 54.840 -0.129 0.000 0.900 91 L CB -0.173 41.694 42.059 -0.320 0.000 1.144 91 L HN 0.628 nan 8.230 nan 0.000 0.496 92 G N 1.657 110.417 108.800 -0.067 0.000 2.212 92 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.266 92 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.266 92 G C 0.467 175.355 174.900 -0.021 0.000 0.978 92 G CA -0.254 44.827 45.100 -0.032 0.000 0.632 92 G HN 0.471 nan 8.290 nan 0.000 0.537 93 R N -0.050 120.416 120.500 -0.056 0.000 2.596 93 R HA 0.741 5.080 4.340 -0.001 0.000 0.267 93 R C 0.571 176.773 176.300 -0.163 0.000 1.026 93 R CA -0.886 55.163 56.100 -0.085 0.000 1.087 93 R CB 0.547 30.803 30.300 -0.074 0.000 1.132 93 R HN 0.359 nan 8.270 nan 0.000 0.531 94 I N 1.808 122.236 120.570 -0.236 0.000 2.404 94 I HA 0.449 4.618 4.170 -0.001 0.000 0.293 94 I C 0.364 176.346 176.117 -0.226 0.000 0.992 94 I CA -0.467 60.623 61.300 -0.350 0.000 1.149 94 I CB 1.546 39.217 38.000 -0.549 0.000 1.315 94 I HN 0.222 nan 8.210 nan 0.000 0.446 95 M N 5.437 124.918 119.600 -0.199 0.000 2.518 95 M HA 0.421 4.900 4.480 -0.001 0.000 0.300 95 M C -1.028 175.237 176.300 -0.057 0.000 1.175 95 M CA -0.526 54.706 55.300 -0.113 0.000 0.890 95 M CB 2.310 34.848 32.600 -0.104 0.000 1.710 95 M HN 0.634 nan 8.290 nan 0.000 0.453 96 N N 1.440 120.117 118.700 -0.039 0.000 2.229 96 N HA 0.100 4.839 4.740 -0.001 0.000 0.242 96 N C 0.638 176.139 175.510 -0.015 0.000 1.327 96 N CA 0.160 53.204 53.050 -0.010 0.000 0.896 96 N CB 0.787 39.258 38.487 -0.027 0.000 1.129 96 N HN 0.556 nan 8.380 nan 0.000 0.490 97 V N 0.526 120.436 119.914 -0.007 0.000 2.591 97 V HA -0.075 4.045 4.120 -0.001 0.000 0.249 97 V C 1.529 177.597 176.094 -0.043 0.000 1.053 97 V CA 1.394 63.686 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 0.717 nan 8.190 nan 0.000 0.462 98 I N -0.947 119.594 120.570 -0.048 0.000 3.805 98 I HA 0.689 4.858 4.170 -0.001 0.000 0.337 98 I C 1.067 177.119 176.117 -0.109 0.000 1.539 98 I CA 0.056 61.314 61.300 -0.069 0.000 1.176 98 I CB -0.315 37.658 38.000 -0.045 0.000 1.248 98 I HN 0.189 nan 8.210 nan 0.000 0.437 99 G N 1.425 110.155 108.800 -0.116 0.000 2.371 99 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.299 99 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.299 99 G C -0.243 174.574 174.900 -0.140 0.000 1.014 99 G CA 0.187 45.197 45.100 -0.151 0.000 1.097 99 G HN 0.721 nan 8.290 nan 0.000 0.512 100 E N 0.204 120.347 120.200 -0.094 0.000 2.235 100 E HA 0.484 4.833 4.350 -0.001 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 2.272 31.941 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 -0.079 62.982 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 -0.557 119.966 120.570 -0.078 0.000 3.817 102 I HA 0.340 4.509 4.170 -0.001 0.000 0.325 102 I C -0.224 175.837 176.117 -0.095 0.000 1.550 102 I CA -0.269 60.995 61.300 -0.061 0.000 1.100 102 I CB 0.238 38.218 38.000 -0.034 0.000 1.216 102 I HN 0.023 nan 8.210 nan 0.000 0.481 103 D N -0.064 120.268 120.400 -0.112 0.000 2.469 103 D HA 0.032 4.671 4.640 -0.001 0.000 0.213 103 D C 0.453 176.743 176.300 -0.018 0.000 1.135 103 D CA -0.059 53.867 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 0.161 120.351 120.200 -0.016 0.000 2.637 104 E HA -0.255 4.095 4.350 -0.001 0.000 0.265 104 E C 0.069 176.677 176.600 0.014 0.000 1.073 104 E CA 0.328 56.732 56.400 0.006 0.000 0.778 104 E CB -1.624 28.090 29.700 0.024 0.000 1.362 104 E HN 0.458 nan 8.360 nan 0.000 0.413 105 R N 0.303 120.806 120.500 0.005 0.000 2.702 105 R HA 0.286 4.626 4.340 -0.001 0.000 0.314 105 R C 0.927 177.228 176.300 0.002 0.000 1.152 105 R CA 0.450 56.557 56.100 0.011 0.000 1.097 105 R CB 0.688 30.996 30.300 0.013 0.000 1.343 105 R HN 0.369 nan 8.270 nan 0.000 0.575 106 G N 1.985 110.786 108.800 0.001 0.000 2.796 106 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.226 106 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.226 106 G C -2.490 172.407 174.900 -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 0.327 nan 4.420 nan 0.000 0.268 107 P C 0.301 177.599 177.300 -0.002 0.000 1.204 107 P CA 0.070 63.170 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 2.783 123.344 120.570 -0.015 0.000 2.329 108 I HA 0.159 4.328 4.170 -0.001 0.000 0.295 108 I C 0.817 176.945 176.117 0.019 0.000 1.109 108 I CA -0.081 61.207 61.300 -0.020 0.000 1.297 108 I CB -0.273 37.693 38.000 -0.056 0.000 1.433 108 I HN 0.091 nan 8.210 nan 0.000 0.509 109 K N 5.935 126.352 120.400 0.029 0.000 2.244 109 K HA 0.282 4.601 4.320 -0.001 0.000 0.263 109 K C 0.145 176.779 176.600 0.056 0.000 1.103 109 K CA -0.316 56.006 56.287 0.058 0.000 0.966 109 K CB 0.844 33.367 32.500 0.038 0.000 1.429 109 K HN 0.675 nan 8.250 nan 0.000 0.434 110 T N -1.446 113.172 114.554 0.106 0.000 2.919 110 T HA 0.341 4.690 4.350 -0.001 0.000 0.282 110 T C 0.887 175.628 174.700 0.068 0.000 1.020 110 T CA -0.921 61.219 62.100 0.068 0.000 0.994 110 T CB 1.571 70.470 68.868 0.051 0.000 1.180 110 T HN 0.280 nan 8.240 nan 0.000 0.566 111 K N -0.142 120.271 120.400 0.022 0.000 2.168 111 K HA 0.130 4.449 4.320 -0.001 0.000 0.201 111 K C 0.323 176.888 176.600 -0.058 0.000 1.049 111 K CA 0.441 56.712 56.287 -0.026 0.000 0.974 111 K CB -0.020 32.477 32.500 -0.004 0.000 0.792 111 K HN 0.463 nan 8.250 nan 0.000 0.463 112 Q N 0.200 120.019 119.800 0.032 0.000 2.214 112 Q HA 0.357 4.696 4.340 -0.001 0.000 0.251 112 Q C -0.932 175.281 176.000 0.355 0.000 0.936 112 Q CA -0.319 55.534 55.803 0.083 0.000 0.894 112 Q CB 0.893 29.692 28.738 0.102 0.000 1.252 112 Q HN -0.072 nan 8.270 nan 0.000 0.448 113 F N 0.464 120.393 119.950 -0.035 0.000 2.508 113 F HA 0.774 5.296 4.527 -0.007 0.000 0.325 113 F C -0.327 175.456 175.800 -0.028 0.000 1.090 113 F CA -1.811 56.166 58.000 -0.039 0.000 0.945 113 F CB 1.727 40.712 39.000 -0.025 0.000 1.156 113 F HN 0.566 nan 8.300 nan 0.000 0.463 114 A N 2.025 124.902 122.820 0.095 0.000 2.357 114 A HA 0.767 5.086 4.320 -0.001 0.000 0.295 114 A C -0.564 177.026 177.584 0.011 0.000 1.121 114 A CA -0.680 51.387 52.037 0.051 0.000 0.742 114 A CB 0.705 19.721 19.000 0.027 0.000 1.181 114 A HN 0.943 nan 8.150 nan 0.000 0.454 115 A N 2.310 125.147 122.820 0.027 0.000 2.540 115 A HA 0.388 4.708 4.320 -0.001 0.000 0.239 115 A C 1.268 178.834 177.584 -0.031 0.000 1.061 115 A CA 0.319 52.361 52.037 0.008 0.000 0.758 115 A CB -0.323 18.700 19.000 0.038 0.000 0.991 115 A HN 1.654 nan 8.150 nan 0.000 0.502 116 I N -0.064 120.447 120.570 -0.097 0.000 2.439 116 I HA -0.035 4.135 4.170 -0.001 0.000 0.251 116 I C 0.242 176.241 176.117 -0.197 0.000 1.139 116 I CA 0.682 61.877 61.300 -0.175 0.000 1.438 116 I CB -0.422 37.417 38.000 -0.268 0.000 1.085 116 I HN 0.553 nan 8.210 nan 0.000 0.427 117 H N 3.321 122.395 119.070 0.008 0.000 3.067 117 H HA 0.641 5.192 4.556 -0.007 0.000 0.265 117 H C -0.210 175.122 175.328 0.007 0.000 1.234 117 H CA -0.024 56.029 56.048 0.009 0.000 1.452 117 H CB 0.499 30.267 29.762 0.010 0.000 1.527 117 H HN 0.441 nan 8.280 nan 0.000 0.486 118 A N 4.030 126.907 122.820 0.095 0.000 2.380 118 A HA 0.430 4.750 4.320 -0.001 0.000 0.315 118 A C 0.292 177.907 177.584 0.051 0.000 1.101 118 A CA -0.923 51.149 52.037 0.058 0.000 0.771 118 A CB 1.843 20.859 19.000 0.028 0.000 1.287 118 A HN 0.560 nan 8.150 nan 0.000 0.436 119 E N 0.310 120.533 120.200 0.038 0.000 2.385 119 E HA 0.544 4.893 4.350 -0.001 0.000 0.254 119 E C 0.090 176.706 176.600 0.026 0.000 1.228 119 E CA -0.312 56.107 56.400 0.032 0.000 0.956 119 E CB 0.942 30.658 29.700 0.026 0.000 1.116 119 E HN 0.730 nan 8.360 nan 0.000 0.507 120 A N 0.785 123.621 122.820 0.027 0.000 2.311 120 A HA 0.486 4.806 4.320 -0.001 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 0.159 19.174 19.000 0.025 0.000 1.234 120 A HN 0.277 nan 8.150 nan 0.000 0.483 121 P HA -0.017 nan 4.420 nan 0.000 0.238 121 P C -0.262 177.061 177.300 0.040 0.000 1.090 121 P CA 0.580 63.690 63.100 0.017 0.000 0.944 121 P CB -0.110 31.590 31.700 0.001 0.000 0.881 122 E N 1.770 122.000 120.200 0.049 0.000 2.598 122 E HA -0.169 4.180 4.350 -0.001 0.000 0.273 122 E C 0.991 177.664 176.600 0.122 0.000 1.029 122 E CA 0.171 56.623 56.400 0.086 0.000 0.985 122 E CB 0.026 29.769 29.700 0.072 0.000 0.988 122 E HN 0.337 nan 8.360 nan 0.000 0.460 123 F N 2.443 122.391 119.950 -0.003 0.000 2.147 123 F HA -0.252 4.272 4.527 -0.005 0.000 0.301 123 F C 1.937 177.734 175.800 -0.005 0.000 1.084 123 F CA 1.907 59.905 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 -2.303 117.652 119.914 0.069 0.000 3.510 124 V HA -0.059 4.060 4.120 -0.001 0.000 0.270 124 V C 1.172 177.226 176.094 -0.066 0.000 1.201 124 V CA 1.590 63.873 62.300 -0.029 0.000 1.166 124 V CB -0.925 30.925 31.823 0.045 0.000 0.825 124 V HN 0.485 nan 8.190 nan 0.000 0.484 125 E N -0.675 119.487 120.200 -0.063 0.000 2.447 125 E HA 0.251 4.600 4.350 -0.001 0.000 0.204 125 E C 0.490 177.035 176.600 -0.091 0.000 0.977 125 E CA -0.451 55.915 56.400 -0.058 0.000 0.950 125 E CB 0.015 29.698 29.700 -0.027 0.000 0.975 125 E HN 0.413 nan 8.360 nan 0.000 0.496 126 M N 1.886 121.399 119.600 -0.145 0.000 2.246 126 M HA 0.014 4.493 4.480 -0.001 0.000 0.327 126 M C 0.586 176.789 176.300 -0.163 0.000 1.090 126 M CA 0.057 55.256 55.300 -0.169 0.000 1.087 126 M CB 0.336 32.765 32.600 -0.285 0.000 1.587 126 M HN -0.069 nan 8.290 nan 0.000 0.444 127 S N 1.820 117.449 115.700 -0.118 0.000 2.586 127 S HA 0.422 4.892 4.470 -0.001 0.000 0.274 127 S C 0.699 175.230 174.600 -0.115 0.000 1.281 127 S CA -0.926 57.214 58.200 -0.099 0.000 1.035 127 S CB 0.748 63.906 63.200 -0.070 0.000 0.962 127 S HN 0.480 nan 8.310 nan 0.000 0.512 128 V N 1.408 121.260 119.914 -0.103 0.000 3.647 128 V HA 0.412 4.532 4.120 -0.001 0.000 0.279 128 V C 0.429 176.486 176.094 -0.062 0.000 1.314 128 V CA 0.146 62.388 62.300 -0.097 0.000 1.125 128 V CB -1.463 30.306 31.823 -0.091 0.000 0.907 128 V HN 0.806 nan 8.190 nan 0.000 0.434 129 E N 0.120 120.288 120.200 -0.053 0.000 2.367 129 E HA 0.445 4.794 4.350 -0.001 0.000 0.273 129 E C -1.002 175.578 176.600 -0.033 0.000 0.903 129 E CA -0.816 55.561 56.400 -0.038 0.000 0.764 129 E CB 1.666 31.348 29.700 -0.031 0.000 1.252 129 E HN 0.144 nan 8.360 nan 0.000 0.446 130 Q N 1.969 121.753 119.800 -0.027 0.000 2.307 130 Q HA 0.246 4.585 4.340 -0.001 0.000 0.259 130 Q C -0.841 175.150 176.000 -0.015 0.000 0.998 130 Q CA 0.350 56.140 55.803 -0.022 0.000 0.923 130 Q CB 1.048 29.772 28.738 -0.023 0.000 1.196 130 Q HN 0.456 nan 8.270 nan 0.000 0.416 131 E N 1.993 122.186 120.200 -0.012 0.000 2.248 131 E HA 0.387 4.737 4.350 -0.001 0.000 0.267 131 E C -0.605 176.000 176.600 0.008 0.000 0.877 131 E CA -0.686 55.713 56.400 -0.001 0.000 0.759 131 E CB 2.413 32.109 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 4.384 4.170 -0.001 0.000 0.285 132 I C -0.970 175.171 176.117 0.041 0.000 1.085 132 I CA -0.448 60.880 61.300 0.046 0.000 1.403 132 I CB 0.497 38.544 38.000 0.078 0.000 1.409 132 I HN 0.476 nan 8.210 nan 0.000 0.557 133 L N 8.354 129.600 121.223 0.039 0.000 2.264 133 L HA 0.477 4.816 4.340 -0.001 0.000 0.289 133 L C -0.881 176.024 176.870 0.058 0.000 1.044 133 L CA -0.371 54.463 54.840 -0.010 0.000 0.807 133 L CB 1.347 43.365 42.059 -0.068 0.000 1.192 133 L HN 0.494 nan 8.230 nan 0.000 0.425 134 V N 4.429 124.433 119.914 0.151 0.000 2.546 134 V HA 0.284 4.403 4.120 -0.001 0.000 0.284 134 V C 1.132 177.330 176.094 0.174 0.000 1.050 134 V CA 0.402 62.778 62.300 0.128 0.000 0.981 134 V CB 1.246 33.126 31.823 0.095 0.000 0.990 134 V HN 0.981 nan 8.190 nan 0.000 0.474 135 T N -0.806 113.747 114.554 -0.002 0.000 2.971 135 T HA 0.319 4.668 4.350 -0.001 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 -0.044 0.000 0.980 135 T CB 0.662 69.415 68.868 -0.191 0.000 1.044 135 T HN 1.464 nan 8.240 nan 0.000 0.501 136 G N 1.829 110.587 108.800 -0.071 0.000 2.157 136 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.248 136 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.248 136 G C -0.018 174.848 174.900 -0.057 0.000 0.979 136 G CA -0.067 44.994 45.100 -0.064 0.000 0.650 136 G HN 0.633 nan 8.290 nan 0.000 0.529 137 I N 1.193 121.719 120.570 -0.074 0.000 2.307 137 I HA 0.201 4.370 4.170 -0.001 0.000 0.289 137 I C 1.685 177.781 176.117 -0.035 0.000 1.021 137 I CA -0.733 60.554 61.300 -0.022 0.000 1.224 137 I CB 1.163 39.154 38.000 -0.015 0.000 1.376 137 I HN 0.018 nan 8.210 nan 0.000 0.470 138 K N 3.626 124.015 120.400 -0.018 0.000 2.077 138 K HA -0.220 4.100 4.320 -0.001 0.000 0.213 138 K C 1.771 178.305 176.600 -0.110 0.000 1.051 138 K CA 1.792 58.045 56.287 -0.056 0.000 0.929 138 K CB -0.252 32.212 32.500 -0.060 0.000 0.715 138 K HN 0.652 nan 8.250 nan 0.000 0.451 139 V N -0.408 119.460 119.914 -0.077 0.000 2.283 139 V HA -0.187 3.932 4.120 -0.001 0.000 0.243 139 V C 2.339 178.384 176.094 -0.083 0.000 1.039 139 V CA 1.426 63.664 62.300 -0.104 0.000 1.016 139 V CB -0.998 30.796 31.823 -0.048 0.000 0.650 139 V HN 0.008 nan 8.190 nan 0.000 0.449 140 V N 1.264 121.140 119.914 -0.063 0.000 2.231 140 V HA -0.295 3.824 4.120 -0.001 0.000 0.248 140 V C 2.509 178.547 176.094 -0.093 0.000 1.054 140 V CA 2.657 64.898 62.300 -0.098 0.000 1.015 140 V CB -0.948 30.730 31.823 -0.241 0.000 0.638 140 V HN 0.540 nan 8.190 nan 0.000 0.444 141 D N -0.443 119.898 120.400 -0.097 0.000 2.219 141 D HA -0.093 4.546 4.640 -0.001 0.000 0.205 141 D C 1.906 178.229 176.300 0.039 0.000 0.970 141 D CA 1.135 55.116 54.000 -0.032 0.000 0.851 141 D CB -0.027 40.748 40.800 -0.042 0.000 0.943 141 D HN 0.461 nan 8.370 nan 0.000 0.488 142 L N -0.622 120.577 121.223 -0.040 0.000 2.168 142 L HA 0.088 4.427 4.340 -0.001 0.000 0.203 142 L C 1.756 178.647 176.870 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 -0.549 120.646 121.223 -0.048 0.000 2.537 143 L HA 0.418 4.757 4.340 -0.001 0.000 0.224 143 L C 0.897 177.761 176.870 -0.011 0.000 1.065 143 L CA 0.432 55.244 54.840 -0.046 0.000 0.860 143 L CB 0.011 42.011 42.059 -0.098 0.000 1.086 143 L HN 0.229 nan 8.230 nan 0.000 0.482 144 A N 0.505 123.334 122.820 0.016 0.000 3.355 144 A HA 0.475 4.794 4.320 -0.001 0.000 0.290 144 A C -2.578 175.080 177.584 0.124 0.000 0.973 144 A CA -1.047 51.023 52.037 0.056 0.000 0.933 144 A CB -0.318 18.720 19.000 0.063 0.000 1.138 144 A HN -0.153 nan 8.150 nan 0.000 0.490 145 P HA 0.020 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 0.633 63.803 63.100 0.117 0.000 0.761 145 P CB 0.095 31.836 31.700 0.068 0.000 0.785 146 Y N 1.950 122.251 120.300 0.001 0.000 2.335 146 Y HA 0.349 4.899 4.550 -0.001 0.000 0.348 146 Y C 1.219 177.103 175.900 -0.027 0.000 1.280 146 Y CA -0.988 57.102 58.100 -0.017 0.000 1.504 146 Y CB -0.153 38.296 38.460 -0.019 0.000 1.366 146 Y HN 0.393 nan 8.280 nan 0.000 0.621 147 A N 1.637 124.513 122.820 0.094 0.000 2.386 147 A HA 0.540 4.859 4.320 -0.001 0.000 0.311 147 A C -0.595 176.986 177.584 -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 19.850 19.000 -0.004 0.000 1.258 147 A HN 0.664 nan 8.150 nan 0.000 0.429 148 K N 0.755 121.143 120.400 -0.021 0.000 2.451 148 K HA 0.390 4.710 4.320 -0.001 0.000 0.280 148 K C 1.300 177.868 176.600 -0.053 0.000 1.020 148 K CA 1.768 58.025 56.287 -0.051 0.000 1.008 148 K CB 0.121 32.587 32.500 -0.057 0.000 0.917 148 K HN 1.720 nan 8.250 nan 0.000 0.478 149 G N 2.347 111.107 108.800 -0.065 0.000 2.212 149 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.266 149 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.266 149 G C 0.510 175.372 174.900 -0.063 0.000 0.978 149 G CA 0.105 45.168 45.100 -0.062 0.000 0.632 149 G HN 0.941 nan 8.290 nan 0.000 0.537 150 G N -0.510 108.249 108.800 -0.067 0.000 2.621 150 G HA2 0.567 4.527 3.960 -0.001 0.000 0.271 150 G HA3 0.567 4.527 3.960 -0.001 0.000 0.271 150 G C -0.249 174.583 174.900 -0.113 0.000 1.236 150 G CA -0.058 44.997 45.100 -0.074 0.000 0.958 150 G HN 0.474 nan 8.290 nan 0.000 0.512 151 K N -0.780 119.550 120.400 -0.117 0.000 2.345 151 K HA 0.573 4.892 4.320 -0.001 0.000 0.255 151 K C -1.019 175.463 176.600 -0.195 0.000 0.934 151 K CA -0.318 55.880 56.287 -0.148 0.000 0.801 151 K CB 2.241 34.680 32.500 -0.101 0.000 1.137 151 K HN 0.232 nan 8.250 nan 0.000 0.424 152 I N 1.217 121.634 120.570 -0.256 0.000 2.433 152 I HA 0.381 4.550 4.170 -0.001 0.000 0.292 152 I C 0.374 176.397 176.117 -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 -0.616 0.000 1.289 152 I HN 0.680 nan 8.210 nan 0.000 0.438 153 G N 6.087 114.829 108.800 -0.096 0.000 2.393 153 G HA2 0.484 4.444 3.960 -0.001 0.000 0.311 153 G HA3 0.484 4.444 3.960 -0.001 0.000 0.311 153 G C -0.865 174.196 174.900 0.269 0.000 1.067 153 G CA -0.348 44.807 45.100 0.092 0.000 1.000 153 G HN 0.512 nan 8.290 nan 0.000 0.422 154 L N 4.122 125.499 121.223 0.257 0.000 2.259 154 L HA 0.662 5.001 4.340 -0.001 0.000 0.288 154 L C -1.122 175.987 176.870 0.398 0.000 1.051 154 L CA -0.830 54.189 54.840 0.298 0.000 0.824 154 L CB -0.121 42.071 42.059 0.222 0.000 1.206 154 L HN 0.261 nan 8.230 nan 0.000 0.429 155 F N 3.391 123.376 119.950 0.058 0.000 2.408 155 F HA 0.871 5.397 4.527 -0.002 0.000 0.325 155 F C 1.087 176.925 175.800 0.063 0.000 1.082 155 F CA -0.651 57.386 58.000 0.062 0.000 1.032 155 F CB 1.159 40.194 39.000 0.057 0.000 1.259 155 F HN 0.755 nan 8.300 nan 0.000 0.503 156 G N -0.008 108.931 108.800 0.232 0.000 2.692 156 G HA2 0.394 4.353 3.960 -0.001 0.000 0.686 156 G HA3 0.394 4.353 3.960 -0.001 0.000 0.686 156 G C -0.177 174.792 174.900 0.116 0.000 1.243 156 G CA -0.519 44.669 45.100 0.145 0.000 0.782 156 G HN 1.193 nan 8.290 nan 0.000 0.625 157 G N 0.185 109.039 108.800 0.090 0.000 2.844 157 G HA2 0.899 4.858 3.960 -0.001 0.000 0.204 157 G HA3 0.899 4.858 3.960 -0.001 0.000 0.204 157 G C 0.718 175.661 174.900 0.073 0.000 1.815 157 G CA 1.062 46.212 45.100 0.083 0.000 0.739 157 G HN 2.224 nan 8.290 nan 0.000 0.807 158 A N -1.276 121.581 122.820 0.061 0.000 2.286 158 A HA 0.582 4.901 4.320 -0.001 0.000 0.286 158 A C 1.514 179.130 177.584 0.054 0.000 1.097 158 A CA 0.904 52.974 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 -0.884 107.951 108.800 0.057 0.000 2.507 159 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.240 159 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.240 159 G C 0.590 175.546 174.900 0.093 0.000 1.119 159 G CA 0.882 46.022 45.100 0.067 0.000 0.664 159 G HN 2.185 nan 8.290 nan 0.000 0.516 160 V N -0.171 119.783 119.914 0.066 0.000 2.498 160 V HA 0.725 4.845 4.120 -0.001 0.000 0.279 160 V C 1.626 177.778 176.094 0.097 0.000 1.048 160 V CA 0.186 62.513 62.300 0.045 0.000 0.967 160 V CB 1.038 32.868 31.823 0.011 0.000 0.988 160 V HN 1.342 nan 8.190 nan 0.000 0.473 161 G N 2.618 111.513 108.800 0.159 0.000 3.241 161 G HA2 -0.171 3.788 3.960 -0.001 0.000 0.199 161 G HA3 -0.171 3.788 3.960 -0.001 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 0.511 120.976 120.400 0.107 0.000 2.032 162 K HA -0.260 4.059 4.320 -0.001 0.000 0.218 162 K C 2.725 179.377 176.600 0.087 0.000 1.054 162 K CA 2.253 58.605 56.287 0.108 0.000 0.941 162 K CB -0.587 31.972 32.500 0.099 0.000 0.720 162 K HN 0.495 nan 8.250 nan 0.000 0.449 163 T N -1.755 112.831 114.554 0.052 0.000 2.962 163 T HA -0.039 4.310 4.350 -0.001 0.000 0.270 163 T C 1.959 176.668 174.700 0.016 0.000 1.088 163 T CA 1.120 63.225 62.100 0.009 0.000 1.127 163 T CB -0.012 68.845 68.868 -0.018 0.000 0.883 163 T HN 0.049 nan 8.240 nan 0.000 0.493 164 V N 0.559 120.509 119.914 0.061 0.000 2.649 164 V HA 0.126 4.246 4.120 -0.001 0.000 0.248 164 V C 2.378 178.619 176.094 0.245 0.000 1.054 164 V CA 0.973 63.339 62.300 0.111 0.000 1.073 164 V CB -0.103 31.759 31.823 0.066 0.000 0.699 164 V HN 0.432 nan 8.190 nan 0.000 0.463 165 L N -0.262 121.126 121.223 0.274 0.000 2.109 165 L HA 0.003 4.342 4.340 -0.001 0.000 0.207 165 L C 2.043 179.009 176.870 0.160 0.000 1.086 165 L CA 1.835 56.877 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 -1.250 119.360 120.570 0.068 0.000 2.394 166 I HA -0.288 3.881 4.170 -0.001 0.000 0.251 166 I C 2.277 178.339 176.117 -0.092 0.000 1.136 166 I CA 1.266 62.496 61.300 -0.117 0.000 1.425 166 I CB -0.135 37.661 38.000 -0.340 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 4.337 4.480 -0.001 0.000 0.265 167 M C 2.112 178.408 176.300 -0.006 0.000 1.088 167 M CA 1.212 56.505 55.300 -0.012 0.000 1.134 167 M CB -0.118 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 1.143 121.302 120.200 -0.067 0.000 2.046 168 E HA -0.100 4.249 4.350 -0.001 0.000 0.190 168 E C 1.795 178.295 176.600 -0.166 0.000 0.982 168 E CA 1.087 57.328 56.400 -0.264 0.000 0.800 168 E CB -0.207 28.939 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 -0.252 4.087 4.340 -0.001 0.000 0.213 169 L C 2.513 179.469 176.870 0.143 0.000 1.072 169 L CA 1.499 56.393 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 -0.167 120.530 120.570 0.212 0.000 2.068 170 I HA -0.409 3.760 4.170 -0.001 0.000 0.238 170 I C 2.372 178.553 176.117 0.107 0.000 1.046 170 I CA 2.102 63.526 61.300 0.208 0.000 1.306 170 I CB -0.543 37.571 38.000 0.190 0.000 1.023 170 I HN 0.386 nan 8.210 nan 0.000 0.399 171 N N 1.302 120.034 118.700 0.052 0.000 2.011 171 N HA -0.250 4.489 4.740 -0.001 0.000 0.199 171 N C 1.495 177.005 175.510 0.000 0.000 1.047 171 N CA 2.233 55.294 53.050 0.018 0.000 0.863 171 N CB -0.199 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 -0.469 118.212 118.700 -0.033 0.000 2.348 172 N HA -0.109 4.631 4.740 -0.001 0.000 0.185 172 N C 1.469 176.983 175.510 0.007 0.000 1.019 172 N CA 0.540 53.562 53.050 -0.046 0.000 0.880 172 N CB -0.309 38.125 38.487 -0.089 0.000 0.965 172 N HN 0.161 nan 8.380 nan 0.000 0.437 173 V N 0.620 120.579 119.914 0.074 0.000 2.407 173 V HA -0.050 4.070 4.120 -0.001 0.000 0.245 173 V C 2.248 178.387 176.094 0.077 0.000 1.041 173 V CA 1.447 63.841 62.300 0.157 0.000 1.040 173 V CB -0.749 31.159 31.823 0.142 0.000 0.671 173 V HN 0.291 nan 8.190 nan 0.000 0.455 174 A N -0.101 122.742 122.820 0.040 0.000 1.865 174 A HA -0.267 4.052 4.320 -0.001 0.000 0.217 174 A C 2.182 179.743 177.584 -0.038 0.000 1.191 174 A CA 2.292 54.327 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 -0.165 120.211 120.400 -0.040 0.000 1.965 175 K HA -0.005 4.315 4.320 -0.001 0.000 0.218 175 K C 2.106 178.629 176.600 -0.128 0.000 1.048 175 K CA 1.843 58.088 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 -0.047 122.639 122.820 -0.223 0.000 2.168 176 A HA -0.081 4.238 4.320 -0.001 0.000 0.215 176 A C 0.761 178.015 177.584 -0.550 0.000 1.152 176 A CA 1.236 53.019 52.037 -0.423 0.000 0.716 176 A CB -0.353 18.293 19.000 -0.591 0.000 0.794 176 A HN 0.429 nan 8.150 nan 0.000 0.465 177 H N -2.393 116.644 119.070 -0.056 0.000 3.367 177 H HA 0.222 4.777 4.556 -0.001 0.000 0.257 177 H C 1.429 176.696 175.328 -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 -0.052 0.000 1.656 177 H HN 0.536 nan 8.280 nan 0.000 0.662 178 G N 1.648 110.422 108.800 -0.043 0.000 2.269 178 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.277 178 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.277 178 G C 0.729 175.463 174.900 -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 -1.328 107.373 108.800 -0.165 0.000 2.389 179 G HA2 0.612 4.571 3.960 -0.001 0.000 0.317 179 G HA3 0.612 4.571 3.960 -0.001 0.000 0.317 179 G C -0.419 174.348 174.900 -0.220 0.000 1.137 179 G CA -0.808 44.166 45.100 -0.209 0.000 0.870 179 G HN 0.148 nan 8.290 nan 0.000 0.496 180 Y N -0.049 120.187 120.300 -0.106 0.000 2.480 180 Y HA 0.640 5.189 4.550 -0.002 0.000 0.323 180 Y C 0.897 176.753 175.900 -0.073 0.000 1.267 180 Y CA -1.069 56.927 58.100 -0.174 0.000 1.336 180 Y CB 1.924 40.074 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 5.243 4.470 -0.001 0.000 0.286 181 S C -1.251 173.469 174.600 0.200 0.000 1.099 181 S CA -0.916 57.393 58.200 0.181 0.000 0.913 181 S CB 1.881 65.238 63.200 0.263 0.000 1.085 181 S HN 0.300 nan 8.310 nan 0.000 0.480 182 V N 1.581 121.631 119.914 0.227 0.000 2.769 182 V HA 0.684 4.803 4.120 -0.001 0.000 0.312 182 V C -1.213 175.095 176.094 0.357 0.000 1.058 182 V CA -0.803 61.639 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 2.275 122.319 119.950 0.158 0.000 2.539 183 F HA 0.783 5.309 4.527 -0.000 0.000 0.328 183 F C -0.008 175.878 175.800 0.145 0.000 1.148 183 F CA -0.619 57.497 58.000 0.194 0.000 0.940 183 F CB 1.185 40.275 39.000 0.149 0.000 1.194 183 F HN 0.650 nan 8.300 nan 0.000 0.438 184 A N 4.288 126.957 122.820 -0.253 0.000 2.258 184 A HA 0.671 4.990 4.320 -0.001 0.000 0.316 184 A C -0.006 177.428 177.584 -0.249 0.000 1.279 184 A CA -0.300 51.672 52.037 -0.109 0.000 0.876 184 A CB 0.322 19.267 19.000 -0.092 0.000 1.170 184 A HN 1.061 nan 8.150 nan 0.000 0.520 185 G N 1.702 110.603 108.800 0.169 0.000 2.475 185 G HA2 0.487 4.446 3.960 -0.001 0.000 0.322 185 G HA3 0.487 4.446 3.960 -0.001 0.000 0.322 185 G C -0.454 174.488 174.900 0.070 0.000 1.044 185 G CA -0.212 44.985 45.100 0.162 0.000 1.047 185 G HN 0.675 nan 8.290 nan 0.000 0.436 186 V N 2.633 122.558 119.914 0.018 0.000 2.353 186 V HA 0.558 4.677 4.120 -0.001 0.000 0.264 186 V C 1.215 177.330 176.094 0.034 0.000 1.049 186 V CA 0.467 62.793 62.300 0.043 0.000 0.896 186 V CB 0.480 32.344 31.823 0.068 0.000 1.025 186 V HN 1.327 nan 8.190 nan 0.000 0.475 187 G N 3.398 112.210 108.800 0.020 0.000 2.324 187 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.292 187 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.292 187 G C -0.058 174.830 174.900 -0.021 0.000 1.079 187 G CA -0.251 44.849 45.100 0.001 0.000 1.026 187 G HN 0.632 nan 8.290 nan 0.000 0.506 188 E N -0.110 120.054 120.200 -0.060 0.000 2.331 188 E HA 0.236 4.585 4.350 -0.001 0.000 0.272 188 E C 0.964 177.497 176.600 -0.112 0.000 1.036 188 E CA -0.509 55.823 56.400 -0.114 0.000 0.864 188 E CB 0.620 30.136 29.700 -0.307 0.000 1.035 188 E HN 0.507 nan 8.360 nan 0.000 0.408 189 R N 1.945 122.393 120.500 -0.086 0.000 2.296 189 R HA 0.098 4.438 4.340 -0.001 0.000 0.323 189 R C 1.265 177.516 176.300 -0.081 0.000 1.067 189 R CA -0.133 55.929 56.100 -0.063 0.000 0.946 189 R CB 0.146 30.425 30.300 -0.036 0.000 0.991 189 R HN 0.476 nan 8.270 nan 0.000 0.448 190 T N 2.113 116.626 114.554 -0.069 0.000 2.684 190 T HA -0.311 4.039 4.350 -0.001 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 -0.117 4.222 4.340 -0.001 0.000 0.236 191 R C 2.342 178.652 176.300 0.017 0.000 1.137 191 R CA 1.784 57.891 56.100 0.012 0.000 0.943 191 R CB -0.142 30.162 30.300 0.007 0.000 0.846 191 R HN 0.522 nan 8.270 nan 0.000 0.431 192 E N -1.063 119.132 120.200 -0.009 0.000 2.268 192 E HA -0.100 4.249 4.350 -0.001 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 1.986 110.738 108.800 -0.079 0.000 2.404 193 G HA2 -0.315 3.645 3.960 -0.001 0.000 0.213 193 G HA3 -0.315 3.645 3.960 -0.001 0.000 0.213 193 G C 1.363 176.382 174.900 0.199 0.000 1.189 193 G CA 0.820 45.865 45.100 -0.092 0.000 0.796 193 G HN 0.310 nan 8.290 nan 0.000 0.532 194 N N 0.562 119.378 118.700 0.193 0.000 2.192 194 N HA -0.133 4.606 4.740 -0.001 0.000 0.188 194 N C 1.495 177.217 175.510 0.354 0.000 1.013 194 N CA 1.758 54.998 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 4.599 4.640 -0.001 0.000 0.205 195 D C 1.631 178.012 176.300 0.135 0.000 0.962 195 D CA 0.273 54.365 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 0.266 nan 8.370 nan 0.000 0.500 196 L N -0.354 120.941 121.223 0.119 0.000 2.095 196 L HA -0.047 4.292 4.340 -0.001 0.000 0.204 196 L C 1.894 178.816 176.870 0.087 0.000 1.080 196 L CA 1.314 56.176 54.840 0.037 0.000 0.759 196 L CB -0.741 41.281 42.059 -0.061 0.000 0.914 196 L HN 0.010 nan 8.230 nan 0.000 0.439 197 Y N 0.729 121.030 120.300 0.003 0.000 2.014 197 Y HA -0.343 4.207 4.550 -0.001 0.000 0.270 197 Y C 2.715 178.536 175.900 -0.132 0.000 1.145 197 Y CA 2.400 60.446 58.100 -0.090 0.000 1.106 197 Y CB -1.074 37.334 38.460 -0.087 0.000 0.968 197 Y HN 0.434 nan 8.280 nan 0.000 0.484 198 H N -0.518 118.490 119.070 -0.105 0.000 2.457 198 H HA -0.114 4.442 4.556 -0.001 0.000 0.297 198 H C 2.181 177.462 175.328 -0.078 0.000 1.092 198 H CA 1.636 57.573 56.048 -0.185 0.000 1.309 198 H CB -0.084 29.622 29.762 -0.092 0.000 1.382 198 H HN 0.529 nan 8.280 nan 0.000 0.535 199 E N -0.126 120.118 120.200 0.073 0.000 2.216 199 E HA -0.094 4.255 4.350 -0.001 0.000 0.192 199 E C 1.746 178.366 176.600 0.033 0.000 0.988 199 E CA 0.436 56.878 56.400 0.069 0.000 0.834 199 E CB 0.133 29.862 29.700 0.048 0.000 0.772 199 E HN 0.458 nan 8.360 nan 0.000 0.479 200 M N 0.002 119.591 119.600 -0.018 0.000 2.193 200 M HA -0.059 4.420 4.480 -0.001 0.000 0.265 200 M C 2.139 178.418 176.300 -0.035 0.000 1.071 200 M CA 0.942 56.225 55.300 -0.028 0.000 1.140 200 M CB -0.029 32.543 32.600 -0.047 0.000 1.369 200 M HN 0.155 nan 8.290 nan 0.000 0.423 201 I N 0.499 121.008 120.570 -0.102 0.000 2.091 201 I HA -0.337 3.832 4.170 -0.001 0.000 0.239 201 I C 2.129 178.215 176.117 -0.051 0.000 1.061 201 I CA 1.696 62.917 61.300 -0.132 0.000 1.317 201 I CB -0.433 37.391 38.000 -0.294 0.000 1.031 201 I HN 0.336 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 -0.210 4.140 4.350 -0.001 0.000 0.196 202 E C 1.873 178.510 176.600 0.061 0.000 0.993 202 E CA 1.558 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 -1.421 114.330 115.700 0.086 0.000 2.577 203 S HA 0.283 4.752 4.470 -0.001 0.000 0.219 203 S C 1.507 176.138 174.600 0.052 0.000 0.962 203 S CA 0.299 58.564 58.200 0.108 0.000 0.921 203 S CB 0.732 64.009 63.200 0.128 0.000 0.789 203 S HN 0.367 nan 8.310 nan 0.000 0.497 204 G N 1.587 110.399 108.800 0.020 0.000 2.458 204 G HA2 -0.446 3.514 3.960 -0.001 0.000 0.237 204 G HA3 -0.446 3.514 3.960 -0.001 0.000 0.237 204 G C 1.187 176.088 174.900 0.002 0.000 1.113 204 G CA 0.681 45.784 45.100 0.005 0.000 0.655 204 G HN 1.457 nan 8.290 nan 0.000 0.513 205 V N -0.872 119.049 119.914 0.012 0.000 2.481 205 V HA -0.041 4.078 4.120 -0.001 0.000 0.263 205 V C 1.422 177.515 176.094 -0.002 0.000 1.108 205 V CA 2.235 64.543 62.300 0.013 0.000 1.113 205 V CB -0.631 31.203 31.823 0.020 0.000 0.684 205 V HN 0.673 nan 8.190 nan 0.000 0.467 206 I N 0.903 121.462 120.570 -0.019 0.000 2.474 206 I HA 0.498 4.668 4.170 -0.001 0.000 0.294 206 I C -0.183 175.909 176.117 -0.040 0.000 1.005 206 I CA -0.215 61.068 61.300 -0.029 0.000 1.113 206 I CB 1.763 39.745 38.000 -0.029 0.000 1.289 206 I HN 0.105 nan 8.210 nan 0.000 0.436 207 N N 5.798 124.478 118.700 -0.034 0.000 2.461 207 N HA 0.343 5.082 4.740 -0.001 0.000 0.284 207 N C 0.042 175.535 175.510 -0.030 0.000 1.049 207 N CA -0.334 52.697 53.050 -0.033 0.000 0.889 207 N CB 1.962 40.437 38.487 -0.021 0.000 1.365 207 N HN 0.540 nan 8.380 nan 0.000 0.499 208 L N 2.908 124.109 121.223 -0.037 0.000 2.341 208 L HA 0.112 4.451 4.340 -0.001 0.000 0.214 208 L C 2.095 178.956 176.870 -0.014 0.000 1.115 208 L CA 0.892 55.717 54.840 -0.024 0.000 0.820 208 L CB 0.149 42.186 42.059 -0.036 0.000 0.944 208 L HN 0.411 nan 8.230 nan 0.000 0.452 209 K N -0.363 120.027 120.400 -0.016 0.000 2.067 209 K HA -0.056 4.263 4.320 -0.001 0.000 0.203 209 K C 0.806 177.402 176.600 -0.007 0.000 1.048 209 K CA 1.114 57.395 56.287 -0.010 0.000 0.954 209 K CB 0.139 32.632 32.500 -0.011 0.000 0.737 209 K HN 0.381 nan 8.250 nan 0.000 0.444 210 D N -1.450 118.945 120.400 -0.008 0.000 2.443 210 D HA 0.229 4.868 4.640 -0.001 0.000 0.249 210 D C -0.438 175.858 176.300 -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 -0.905 121.912 122.820 -0.005 0.000 2.806 211 A HA 0.432 4.752 4.320 -0.001 0.000 0.266 211 A C 0.320 177.899 177.584 -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 -2.243 112.306 114.554 -0.009 0.000 3.174 212 T HA 0.232 4.582 4.350 -0.001 0.000 0.269 212 T C 0.409 175.104 174.700 -0.008 0.000 1.017 212 T CA 0.280 62.383 62.100 0.005 0.000 0.899 212 T CB -0.458 68.418 68.868 0.013 0.000 1.077 212 T HN 0.240 nan 8.240 nan 0.000 0.552 213 S N 2.195 117.869 115.700 -0.042 0.000 2.533 213 S HA 0.237 4.707 4.470 -0.001 0.000 0.282 213 S C 0.591 175.141 174.600 -0.084 0.000 1.304 213 S CA -0.690 57.478 58.200 -0.054 0.000 1.063 213 S CB 0.881 64.041 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 4.608 4.320 -0.001 0.000 0.204 214 K C -0.673 175.934 176.600 0.012 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 -0.110 119.787 119.914 -0.028 0.000 2.888 215 V HA 0.665 4.784 4.120 -0.001 0.000 0.309 215 V C -1.006 175.081 176.094 -0.011 0.000 1.114 215 V CA -1.465 60.849 62.300 0.023 0.000 0.940 215 V CB 1.770 33.635 31.823 0.070 0.000 1.021 215 V HN 0.081 nan 8.190 nan 0.000 0.426 216 A N 4.172 127.011 122.820 0.031 0.000 2.318 216 A HA 0.910 5.229 4.320 -0.001 0.000 0.324 216 A C -0.835 176.764 177.584 0.026 0.000 1.170 216 A CA -0.589 51.455 52.037 0.011 0.000 0.810 216 A CB 0.944 19.973 19.000 0.048 0.000 1.198 216 A HN 0.844 nan 8.150 nan 0.000 0.484 217 L N 2.880 124.057 121.223 -0.078 0.000 2.307 217 L HA 0.551 4.890 4.340 -0.001 0.000 0.284 217 L C -0.828 175.921 176.870 -0.201 0.000 1.023 217 L CA -0.886 53.868 54.840 -0.143 0.000 0.810 217 L CB 1.656 43.467 42.059 -0.412 0.000 1.231 217 L HN 0.410 nan 8.230 nan 0.000 0.423 218 V N 3.148 123.041 119.914 -0.035 0.000 2.448 218 V HA 0.434 4.553 4.120 -0.001 0.000 0.295 218 V C -0.875 175.342 176.094 0.204 0.000 1.025 218 V CA -0.620 61.683 62.300 0.005 0.000 0.859 218 V CB 1.694 33.535 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 5.282 4.550 -0.002 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 2.443 40.920 38.460 0.028 0.000 1.203 219 Y HN 0.653 nan 8.280 nan 0.000 0.453 220 G N 3.572 112.471 108.800 0.164 0.000 3.678 220 G HA2 0.374 4.334 3.960 -0.001 0.000 0.344 220 G HA3 0.374 4.334 3.960 -0.001 0.000 0.344 220 G C -0.593 174.320 174.900 0.021 0.000 1.450 220 G CA -0.549 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 0.765 120.568 119.800 0.004 0.000 2.474 221 Q HA 0.177 4.516 4.340 -0.001 0.000 0.256 221 Q C 1.705 177.693 176.000 -0.019 0.000 1.048 221 Q CA 0.122 55.904 55.803 -0.036 0.000 0.922 221 Q CB 1.145 29.867 28.738 -0.027 0.000 1.288 221 Q HN 0.537 nan 8.270 nan 0.000 0.484 222 M N 1.216 120.799 119.600 -0.029 0.000 2.446 222 M HA -0.170 4.310 4.480 -0.001 0.000 0.263 222 M C 0.831 177.124 176.300 -0.012 0.000 1.066 222 M CA 1.271 56.560 55.300 -0.019 0.000 1.087 222 M CB -0.203 32.384 32.600 -0.022 0.000 1.406 222 M HN 0.607 nan 8.290 nan 0.000 0.459 223 N N -0.268 118.426 118.700 -0.009 0.000 2.446 223 N HA -0.018 4.721 4.740 -0.001 0.000 0.179 223 N C 0.034 175.543 175.510 -0.001 0.000 1.054 223 N CA 0.106 53.154 53.050 -0.005 0.000 0.905 223 N CB -0.021 38.465 38.487 -0.002 0.000 0.973 223 N HN 0.455 nan 8.380 nan 0.000 0.448 224 E N 1.981 122.182 120.200 0.001 0.000 2.418 224 E HA 0.098 4.447 4.350 -0.001 0.000 0.261 224 E C -2.228 174.374 176.600 0.002 0.000 1.070 224 E CA -1.626 54.778 56.400 0.005 0.000 0.931 224 E CB 0.413 30.121 29.700 0.012 0.000 0.954 224 E HN 0.100 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 -1.177 61.923 63.100 0.000 0.000 0.788 225 P CB -0.035 31.667 31.700 0.003 0.000 0.949 226 P HA -0.273 nan 4.420 nan 0.000 0.218 226 P C 1.644 178.938 177.300 -0.011 0.000 1.165 226 P CA 2.446 65.535 63.100 -0.018 0.000 0.922 226 P CB -0.871 30.814 31.700 -0.025 0.000 0.794 227 G N -0.257 108.543 108.800 -0.000 0.000 2.469 227 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.220 227 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.220 227 G C 1.732 176.647 174.900 0.025 0.000 1.136 227 G CA 1.397 46.505 45.100 0.014 0.000 0.759 227 G HN 0.444 nan 8.290 nan 0.000 0.562 228 A N 0.853 123.686 122.820 0.021 0.000 1.872 228 A HA 0.066 4.385 4.320 -0.001 0.000 0.214 228 A C 2.406 180.009 177.584 0.033 0.000 1.187 228 A CA 1.332 53.385 52.037 0.025 0.000 0.614 228 A CB -0.287 18.725 19.000 0.020 0.000 0.826 228 A HN 0.363 nan 8.150 nan 0.000 0.442 229 R N -0.168 120.347 120.500 0.026 0.000 2.280 229 R HA 0.109 4.449 4.340 -0.001 0.000 0.207 229 R C 2.064 178.398 176.300 0.057 0.000 1.043 229 R CA 0.700 56.822 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 1.248 124.092 122.820 0.039 0.000 1.874 230 A HA -0.034 4.286 4.320 -0.001 0.000 0.214 230 A C 1.946 179.613 177.584 0.139 0.000 1.189 230 A CA 0.681 52.741 52.037 0.038 0.000 0.615 230 A CB 0.065 19.062 19.000 -0.005 0.000 0.830 230 A HN 0.037 nan 8.150 nan 0.000 0.443 231 R N -0.001 120.558 120.500 0.099 0.000 2.140 231 R HA -0.017 4.322 4.340 -0.001 0.000 0.213 231 R C 2.127 178.456 176.300 0.048 0.000 1.059 231 R CA 1.353 57.501 56.100 0.080 0.000 1.000 231 R CB -1.625 28.692 30.300 0.029 0.000 0.910 231 R HN 0.589 nan 8.270 nan 0.000 0.455 232 V N -0.412 119.531 119.914 0.047 0.000 2.511 232 V HA -0.206 3.913 4.120 -0.001 0.000 0.257 232 V C 2.155 178.256 176.094 0.011 0.000 1.088 232 V CA 2.007 64.325 62.300 0.030 0.000 1.098 232 V CB -1.148 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 0.140 122.971 122.820 0.019 0.000 2.067 233 A HA 0.202 4.521 4.320 -0.001 0.000 0.217 233 A C 2.164 179.685 177.584 -0.104 0.000 1.156 233 A CA 1.434 53.420 52.037 -0.085 0.000 0.683 233 A CB -0.403 18.459 19.000 -0.230 0.000 0.808 233 A HN 0.589 nan 8.150 nan 0.000 0.455 234 L N -1.200 119.988 121.223 -0.058 0.000 2.044 234 L HA -0.122 4.218 4.340 -0.001 0.000 0.205 234 L C 2.746 179.564 176.870 -0.085 0.000 1.075 234 L CA 1.667 56.459 54.840 -0.079 0.000 0.747 234 L CB -1.192 40.814 42.059 -0.088 0.000 0.903 234 L HN 0.272 nan 8.230 nan 0.000 0.435 235 T N 0.153 114.659 114.554 -0.080 0.000 2.624 235 T HA -0.209 4.140 4.350 -0.001 0.000 0.268 235 T C 1.800 176.469 174.700 -0.051 0.000 1.041 235 T CA 1.758 63.814 62.100 -0.073 0.000 1.159 235 T CB -0.620 68.213 68.868 -0.057 0.000 0.863 235 T HN 0.597 nan 8.240 nan 0.000 0.434 236 G N 1.009 109.786 108.800 -0.037 0.000 2.440 236 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.218 236 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.218 236 G C 1.504 176.392 174.900 -0.019 0.000 1.154 236 G CA 0.721 45.810 45.100 -0.017 0.000 0.767 236 G HN 0.385 nan 8.290 nan 0.000 0.552 237 L N 0.996 122.189 121.223 -0.050 0.000 2.012 237 L HA -0.035 4.304 4.340 -0.001 0.000 0.210 237 L C 3.011 179.867 176.870 -0.024 0.000 1.073 237 L CA 2.425 57.236 54.840 -0.049 0.000 0.748 237 L CB -1.137 40.876 42.059 -0.077 0.000 0.891 237 L HN 0.197 nan 8.230 nan 0.000 0.431 238 T N -1.120 113.413 114.554 -0.035 0.000 2.635 238 T HA -0.223 4.126 4.350 -0.001 0.000 0.267 238 T C 1.971 176.663 174.700 -0.012 0.000 1.040 238 T CA 1.877 63.960 62.100 -0.028 0.000 1.156 238 T CB -0.425 68.412 68.868 -0.051 0.000 0.863 238 T HN 0.182 nan 8.240 nan 0.000 0.430 239 V N 1.595 121.500 119.914 -0.015 0.000 2.231 239 V HA -0.250 3.869 4.120 -0.001 0.000 0.248 239 V C 2.859 178.996 176.094 0.072 0.000 1.054 239 V CA 2.024 64.320 62.300 -0.006 0.000 1.015 239 V CB -1.306 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 -0.752 122.146 122.820 0.129 0.000 1.917 240 A HA -0.318 4.001 4.320 -0.001 0.000 0.219 240 A C 2.128 179.796 177.584 0.140 0.000 1.182 240 A CA 2.252 54.407 52.037 0.196 0.000 0.633 240 A CB -0.672 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 -1.871 118.366 120.200 0.061 0.000 2.160 241 E HA -0.239 4.110 4.350 -0.001 0.000 0.195 241 E C 1.743 178.353 176.600 0.017 0.000 0.991 241 E CA 1.471 57.888 56.400 0.029 0.000 0.810 241 E CB -0.307 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 4.313 4.550 -0.005 0.000 0.284 242 Y C 1.501 177.255 175.900 -0.244 0.000 1.143 242 Y CA 1.504 59.443 58.100 -0.268 0.000 1.135 242 Y CB -0.382 37.791 38.460 -0.480 0.000 0.980 242 Y HN -0.055 nan 8.280 nan 0.000 0.499 243 F N 0.664 120.780 119.950 0.277 0.000 2.724 243 F HA -0.025 4.504 4.527 0.003 0.000 0.297 243 F C 2.390 178.190 175.800 -0.001 0.000 1.200 243 F CA 1.255 59.354 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 -0.357 120.166 120.500 0.039 0.000 2.302 244 R HA 0.038 4.377 4.340 -0.001 0.000 0.187 244 R C 1.087 177.344 176.300 -0.073 0.000 0.904 244 R CA 0.427 56.526 56.100 -0.001 0.000 1.105 244 R CB 0.144 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 0.385 120.718 120.400 -0.113 0.000 2.348 245 D HA -0.016 4.623 4.640 -0.001 0.000 0.211 245 D C 1.275 177.462 176.300 -0.189 0.000 0.998 245 D CA 0.647 54.575 54.000 -0.120 0.000 0.873 245 D CB 0.598 41.348 40.800 -0.083 0.000 0.925 245 D HN 0.141 nan 8.370 nan 0.000 0.524 246 Q N -0.241 119.348 119.800 -0.352 0.000 2.322 246 Q HA 0.159 4.498 4.340 -0.001 0.000 0.250 246 Q C 0.737 176.524 176.000 -0.356 0.000 0.853 246 Q CA 0.446 55.971 55.803 -0.463 0.000 0.951 246 Q CB 1.151 29.265 28.738 -1.039 0.000 1.114 246 Q HN 0.367 nan 8.270 nan 0.000 0.523 247 E N -0.723 119.311 120.200 -0.277 0.000 2.743 247 E HA 0.201 4.550 4.350 -0.001 0.000 0.222 247 E C 0.115 176.698 176.600 -0.028 0.000 0.959 247 E CA 0.108 56.455 56.400 -0.089 0.000 1.198 247 E CB 1.154 30.885 29.700 0.051 0.000 1.100 247 E HN 0.267 nan 8.360 nan 0.000 0.518 248 G N 2.993 111.762 108.800 -0.051 0.000 2.441 248 G HA2 -0.336 3.623 3.960 -0.001 0.000 0.298 248 G HA3 -0.336 3.623 3.960 -0.001 0.000 0.298 248 G C 0.172 175.066 174.900 -0.010 0.000 0.949 248 G CA 1.010 46.092 45.100 -0.030 0.000 1.072 248 G HN 0.241 nan 8.290 nan 0.000 0.512 249 Q N -0.838 118.973 119.800 0.018 0.000 2.173 249 Q HA 0.481 4.821 4.340 -0.001 0.000 0.186 249 Q C -0.675 175.322 176.000 -0.005 0.000 1.018 249 Q CA -0.733 55.070 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 0.901 121.284 120.400 -0.028 0.000 2.477 250 D HA 0.275 4.914 4.640 -0.001 0.000 0.239 250 D C -0.987 175.294 176.300 -0.033 0.000 1.102 250 D CA -0.134 53.832 54.000 -0.057 0.000 0.901 250 D CB 1.005 41.727 40.800 -0.130 0.000 1.026 250 D HN 0.111 nan 8.370 nan 0.000 0.515 251 V N 1.513 121.435 119.914 0.014 0.000 3.083 251 V HA 0.370 4.489 4.120 -0.001 0.000 0.306 251 V C 0.575 176.658 176.094 -0.018 0.000 1.077 251 V CA -0.759 61.573 62.300 0.054 0.000 1.073 251 V CB 1.440 33.349 31.823 0.143 0.000 1.081 251 V HN 0.350 nan 8.190 nan 0.000 0.474 252 L N 2.776 123.982 121.223 -0.028 0.000 2.333 252 L HA 0.561 4.900 4.340 -0.001 0.000 0.280 252 L C -1.026 175.726 176.870 -0.197 0.000 1.004 252 L CA -0.582 54.160 54.840 -0.164 0.000 0.820 252 L CB 1.694 43.635 42.059 -0.197 0.000 1.247 252 L HN 0.508 nan 8.230 nan 0.000 0.416 253 L N 3.917 124.964 121.223 -0.294 0.000 2.333 253 L HA 0.580 4.919 4.340 -0.001 0.000 0.280 253 L C -1.437 175.224 176.870 -0.348 0.000 1.004 253 L CA 0.161 54.873 54.840 -0.212 0.000 0.820 253 L CB 1.359 43.336 42.059 -0.135 0.000 1.247 253 L HN 0.239 nan 8.230 nan 0.000 0.416 254 F N 6.020 125.921 119.950 -0.081 0.000 2.427 254 F HA 0.546 5.072 4.527 -0.001 0.000 0.348 254 F C -0.292 175.289 175.800 -0.365 0.000 1.125 254 F CA -0.404 57.497 58.000 -0.164 0.000 0.989 254 F CB 1.355 40.308 39.000 -0.078 0.000 1.165 254 F HN 0.224 nan 8.300 nan 0.000 0.442 255 I N 3.372 123.877 120.570 -0.107 0.000 2.354 255 I HA 0.285 4.454 4.170 -0.001 0.000 0.286 255 I C -0.830 175.204 176.117 -0.138 0.000 1.007 255 I CA -0.277 60.910 61.300 -0.189 0.000 1.167 255 I CB 1.178 39.067 38.000 -0.185 0.000 1.320 255 I HN 0.354 nan 8.210 nan 0.000 0.458 256 D N 5.715 125.988 120.400 -0.210 0.000 2.462 256 D HA 0.283 4.922 4.640 -0.001 0.000 0.245 256 D C -0.949 175.353 176.300 0.002 0.000 1.122 256 D CA -0.438 53.528 54.000 -0.057 0.000 0.864 256 D CB 1.059 41.861 40.800 0.003 0.000 1.098 256 D HN 0.598 nan 8.370 nan 0.000 0.541 257 N N 2.171 120.905 118.700 0.055 0.000 2.272 257 N HA 0.213 4.952 4.740 -0.001 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 1.324 39.889 38.487 0.131 0.000 1.356 257 N HN 0.145 nan 8.380 nan 0.000 0.486 258 I N 0.983 121.618 120.570 0.109 0.000 2.502 258 I HA -0.093 4.077 4.170 -0.001 0.000 0.258 258 I C 1.204 177.465 176.117 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 1.137 121.175 119.950 0.146 0.000 2.206 259 F HA -0.072 4.455 4.527 0.000 0.000 0.298 259 F C 2.413 178.304 175.800 0.152 0.000 1.090 259 F CA 1.332 59.439 58.000 0.178 0.000 1.323 259 F CB -0.327 38.832 39.000 0.265 0.000 1.028 259 F HN -0.091 nan 8.300 nan 0.000 0.492 260 R N -0.872 119.680 120.500 0.086 0.000 2.285 260 R HA -0.129 4.211 4.340 -0.001 0.000 0.213 260 R C 1.978 178.262 176.300 -0.027 0.000 1.068 260 R CA 1.008 57.089 56.100 -0.031 0.000 1.004 260 R CB -0.628 29.706 30.300 0.057 0.000 0.873 260 R HN 0.388 nan 8.270 nan 0.000 0.467 261 F N 1.196 121.080 119.950 -0.111 0.000 2.098 261 F HA -0.117 4.407 4.527 -0.005 0.000 0.294 261 F C 2.026 177.757 175.800 -0.115 0.000 1.107 261 F CA 1.521 59.468 58.000 -0.089 0.000 1.234 261 F CB -0.611 38.351 39.000 -0.064 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 -0.343 0.000 2.684 262 T HA -0.203 4.146 4.350 -0.001 0.000 0.267 262 T C 1.876 176.376 174.700 -0.334 0.000 1.036 262 T CA 1.645 63.507 62.100 -0.396 0.000 1.148 262 T CB -0.267 68.440 68.868 -0.268 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 -0.418 0.000 2.084 263 Q HA 0.046 4.385 4.340 -0.001 0.000 0.202 263 Q C 2.644 178.526 176.000 -0.197 0.000 0.978 263 Q CA 1.684 57.304 55.803 -0.305 0.000 0.844 263 Q CB -0.952 27.565 28.738 -0.368 0.000 0.898 263 Q HN 0.573 nan 8.270 nan 0.000 0.426 264 A N 0.262 122.962 122.820 -0.201 0.000 1.940 264 A HA -0.107 4.212 4.320 -0.001 0.000 0.219 264 A C 2.288 179.771 177.584 -0.168 0.000 1.176 264 A CA 1.826 53.776 52.037 -0.145 0.000 0.631 264 A CB -1.044 17.893 19.000 -0.105 0.000 0.814 264 A HN 0.458 nan 8.150 nan 0.000 0.446 265 G N -0.650 107.988 108.800 -0.270 0.000 2.459 265 G HA2 -0.186 3.773 3.960 -0.001 0.000 0.217 265 G HA3 -0.186 3.773 3.960 -0.001 0.000 0.217 265 G C 1.851 176.672 174.900 -0.132 0.000 1.183 265 G CA 1.316 46.267 45.100 -0.249 0.000 0.776 265 G HN 0.487 nan 8.290 nan 0.000 0.552 266 S N 0.762 116.403 115.700 -0.098 0.000 2.359 266 S HA -0.119 4.350 4.470 -0.001 0.000 0.224 266 S C 2.193 176.758 174.600 -0.059 0.000 1.035 266 S CA 1.634 59.804 58.200 -0.050 0.000 1.018 266 S CB -0.301 62.874 63.200 -0.043 0.000 0.876 266 S HN 0.631 nan 8.310 nan 0.000 0.448 267 E N 0.628 120.786 120.200 -0.070 0.000 2.058 267 E HA -0.135 4.214 4.350 -0.001 0.000 0.194 267 E C 2.153 178.727 176.600 -0.043 0.000 0.997 267 E CA 1.409 57.777 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 1.164 121.048 119.914 -0.050 0.000 2.287 268 V HA -0.292 3.827 4.120 -0.001 0.000 0.248 268 V C 2.504 178.580 176.094 -0.031 0.000 1.053 268 V CA 1.980 64.258 62.300 -0.037 0.000 1.027 268 V CB -0.582 31.217 31.823 -0.040 0.000 0.646 268 V HN 0.275 nan 8.190 nan 0.000 0.447 269 S N -0.233 115.444 115.700 -0.038 0.000 2.353 269 S HA -0.244 4.225 4.470 -0.001 0.000 0.222 269 S C 2.186 176.773 174.600 -0.020 0.000 1.035 269 S CA 1.830 60.014 58.200 -0.027 0.000 1.025 269 S CB -0.464 62.721 63.200 -0.026 0.000 0.902 269 S HN 0.638 nan 8.310 nan 0.000 0.440 270 A N 1.650 124.455 122.820 -0.024 0.000 1.917 270 A HA -0.051 4.268 4.320 -0.001 0.000 0.219 270 A C 2.207 179.781 177.584 -0.016 0.000 1.182 270 A CA 1.721 53.745 52.037 -0.021 0.000 0.633 270 A CB -0.908 18.075 19.000 -0.027 0.000 0.819 270 A HN 0.613 nan 8.150 nan 0.000 0.448 271 L N -0.999 120.214 121.223 -0.017 0.000 2.131 271 L HA -0.102 4.238 4.340 -0.001 0.000 0.210 271 L C 1.675 178.541 176.870 -0.007 0.000 1.092 271 L CA 0.767 55.600 54.840 -0.011 0.000 0.759 271 L CB -0.564 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 0.356 121.575 121.223 -0.007 0.000 2.660 272 L HA 0.160 4.500 4.340 -0.001 0.000 0.238 272 L C 1.332 178.200 176.870 -0.003 0.000 1.161 272 L CA 0.131 54.969 54.840 -0.003 0.000 0.937 272 L CB -0.698 41.359 42.059 -0.003 0.000 1.122 272 L HN 0.421 nan 8.230 nan 0.000 0.435 273 G N 1.065 109.862 108.800 -0.005 0.000 2.258 273 G HA2 -0.323 3.636 3.960 -0.001 0.000 0.274 273 G HA3 -0.323 3.636 3.960 -0.001 0.000 0.274 273 G C 0.288 175.186 174.900 -0.004 0.000 1.021 273 G CA 0.150 45.248 45.100 -0.004 0.000 0.798 273 G HN 0.501 nan 8.290 nan 0.000 0.507 274 R N -0.662 119.835 120.500 -0.005 0.000 2.349 274 R HA 0.558 4.897 4.340 -0.001 0.000 0.299 274 R C 0.864 177.162 176.300 -0.003 0.000 1.027 274 R CA -1.000 55.098 56.100 -0.004 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 4.635 125.204 120.570 -0.001 0.000 2.742 275 I HA -0.039 4.130 4.170 -0.001 0.000 0.287 275 I C -1.710 174.409 176.117 0.004 0.000 1.186 275 I CA -1.188 60.113 61.300 0.001 0.000 1.417 275 I CB 0.029 38.030 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 -0.373 176.941 177.300 0.024 0.000 1.240 276 P CA -0.343 62.762 63.100 0.009 0.000 0.791 276 P CB 0.697 32.391 31.700 -0.010 0.000 0.978 277 S N -0.261 115.469 115.700 0.050 0.000 2.694 277 S HA 0.715 5.184 4.470 -0.001 0.000 0.286 277 S C -0.046 174.596 174.600 0.070 0.000 1.080 277 S CA -0.669 57.563 58.200 0.054 0.000 0.953 277 S CB -0.241 62.992 63.200 0.054 0.000 1.313 277 S HN 0.540 nan 8.310 nan 0.000 0.555 278 A N 0.378 123.245 122.820 0.079 0.000 2.598 278 A HA 0.406 4.725 4.320 -0.001 0.000 0.239 278 A C 1.112 178.778 177.584 0.137 0.000 1.032 278 A CA 0.268 52.358 52.037 0.087 0.000 0.760 278 A CB -1.308 17.742 19.000 0.083 0.000 0.946 278 A HN 1.836 nan 8.150 nan 0.000 0.512 279 V N 1.349 121.313 119.914 0.083 0.000 2.666 279 V HA -0.324 3.795 4.120 -0.001 0.000 0.147 279 V C 1.938 177.969 176.094 -0.105 0.000 0.450 279 V CA 1.808 64.134 62.300 0.043 0.000 1.232 279 V CB -2.392 29.530 31.823 0.165 0.000 1.437 279 V HN 2.978 nan 8.190 nan 0.000 1.056 280 G N -2.751 106.011 108.800 -0.064 0.000 2.199 280 G HA2 -0.343 3.616 3.960 -0.001 0.000 0.254 280 G HA3 -0.343 3.616 3.960 -0.001 0.000 0.254 280 G C -0.046 174.754 174.900 -0.168 0.000 0.982 280 G CA 0.400 45.419 45.100 -0.134 0.000 0.632 280 G HN 0.841 nan 8.290 nan 0.000 0.529 281 Y N 1.726 122.029 120.300 0.006 0.000 2.220 281 Y HA 0.412 4.961 4.550 -0.002 0.000 0.347 281 Y C 1.494 177.380 175.900 -0.023 0.000 1.311 281 Y CA 0.213 58.305 58.100 -0.013 0.000 1.593 281 Y CB 0.241 38.699 38.460 -0.004 0.000 1.419 281 Y HN 0.410 nan 8.280 nan 0.000 0.614 282 Q N 1.256 121.155 119.800 0.165 0.000 2.373 282 Q HA 0.142 4.481 4.340 -0.001 0.000 0.255 282 Q C -2.396 173.639 176.000 0.057 0.000 0.980 282 Q CA -1.767 54.074 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 -0.115 nan 4.420 nan 0.000 0.216 283 P C 0.887 178.197 177.300 0.017 0.000 1.150 283 P CA 1.760 64.875 63.100 0.025 0.000 0.837 283 P CB -0.064 31.644 31.700 0.013 0.000 0.786 284 T N -3.577 110.981 114.554 0.007 0.000 3.312 284 T HA 0.163 4.512 4.350 -0.001 0.000 0.251 284 T C 1.320 176.017 174.700 -0.005 0.000 1.012 284 T CA -0.335 61.766 62.100 0.000 0.000 0.925 284 T CB -0.987 67.875 68.868 -0.011 0.000 1.049 284 T HN -0.131 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 4.323 4.340 -0.001 0.000 0.215 285 L C 2.647 179.515 176.870 -0.004 0.000 1.074 285 L CA 2.344 57.168 54.840 -0.026 0.000 0.760 285 L CB -0.996 41.036 42.059 -0.046 0.000 0.889 285 L HN 0.378 nan 8.230 nan 0.000 0.433 286 A N -1.602 121.230 122.820 0.020 0.000 2.014 286 A HA -0.138 4.181 4.320 -0.001 0.000 0.218 286 A C 2.301 179.930 177.584 0.075 0.000 1.163 286 A CA 1.930 54.001 52.037 0.057 0.000 0.652 286 A CB -1.123 17.906 19.000 0.048 0.000 0.808 286 A HN 0.668 nan 8.150 nan 0.000 0.449 287 T N -2.987 111.595 114.554 0.047 0.000 2.976 287 T HA -0.063 4.286 4.350 -0.001 0.000 0.257 287 T C 1.329 176.062 174.700 0.054 0.000 1.051 287 T CA 1.091 63.220 62.100 0.049 0.000 1.141 287 T CB -0.381 68.503 68.868 0.027 0.000 0.881 287 T HN 0.265 nan 8.240 nan 0.000 0.461 288 D N 1.048 121.467 120.400 0.033 0.000 2.158 288 D HA -0.075 4.564 4.640 -0.001 0.000 0.197 288 D C 1.861 178.248 176.300 0.144 0.000 0.995 288 D CA 1.220 55.241 54.000 0.035 0.000 0.846 288 D CB -0.288 40.468 40.800 -0.075 0.000 0.941 288 D HN 0.403 nan 8.370 nan 0.000 0.456 289 M N 0.189 119.871 119.600 0.138 0.000 2.216 289 M HA 0.114 4.593 4.480 -0.001 0.000 0.264 289 M C 2.008 178.311 176.300 0.005 0.000 1.080 289 M CA 1.833 57.237 55.300 0.173 0.000 1.153 289 M CB -0.563 32.117 32.600 0.133 0.000 1.356 289 M HN -0.061 nan 8.290 nan 0.000 0.432 290 G N -0.767 108.069 108.800 0.060 0.000 2.421 290 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.216 290 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.216 290 G C 1.465 176.385 174.900 0.033 0.000 1.171 290 G CA 1.633 46.777 45.100 0.072 0.000 0.775 290 G HN 0.615 nan 8.290 nan 0.000 0.543 291 T N -1.817 112.770 114.554 0.055 0.000 2.977 291 T HA -0.024 4.325 4.350 -0.001 0.000 0.271 291 T C 2.084 176.804 174.700 0.033 0.000 1.105 291 T CA 1.533 63.663 62.100 0.051 0.000 1.116 291 T CB -0.050 68.857 68.868 0.064 0.000 0.878 291 T HN 0.191 nan 8.240 nan 0.000 0.509 292 M N -0.076 119.530 119.600 0.009 0.000 2.553 292 M HA 0.130 4.609 4.480 -0.001 0.000 0.255 292 M C 2.156 178.368 176.300 -0.146 0.000 1.181 292 M CA 0.976 56.237 55.300 -0.065 0.000 1.210 292 M CB -0.426 32.111 32.600 -0.104 0.000 1.280 292 M HN 0.055 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 4.156 4.340 -0.001 0.000 0.208 293 Q C 1.746 177.664 176.000 -0.136 0.000 0.991 293 Q CA 1.643 57.270 55.803 -0.294 0.000 0.867 293 Q CB -0.661 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 -0.009 120.153 120.200 -0.064 0.000 2.268 294 E HA -0.123 4.227 4.350 -0.001 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 -0.063 29.668 29.700 0.052 0.000 0.763 294 E HN 0.346 nan 8.360 nan 0.000 0.491 295 R N 0.183 120.667 120.500 -0.027 0.000 2.323 295 R HA 0.139 4.478 4.340 -0.001 0.000 0.198 295 R C 0.610 176.887 176.300 -0.038 0.000 0.988 295 R CA 0.193 56.278 56.100 -0.025 0.000 1.041 295 R CB 0.172 30.455 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 4.324 4.170 -0.001 0.000 0.285 296 I C -0.298 175.791 176.117 -0.045 0.000 1.041 296 I CA -0.084 61.178 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 0.029 114.558 114.554 -0.041 0.000 2.677 297 T HA 0.250 4.599 4.350 -0.001 0.000 0.305 297 T C -0.485 174.191 174.700 -0.040 0.000 1.569 297 T CA -0.892 61.186 62.100 -0.037 0.000 0.984 297 T CB 1.297 70.150 68.868 -0.025 0.000 1.629 297 T HN 0.153 nan 8.240 nan 0.000 0.494 298 T N 2.800 117.328 114.554 -0.043 0.000 2.811 298 T HA 0.580 4.929 4.350 -0.001 0.000 0.309 298 T C 0.741 175.413 174.700 -0.047 0.000 1.005 298 T CA -0.501 61.572 62.100 -0.046 0.000 0.955 298 T CB 0.060 68.899 68.868 -0.048 0.000 0.970 298 T HN 0.922 nan 8.240 nan 0.000 0.496 299 T N 0.685 115.214 114.554 -0.042 0.000 2.852 299 T HA 0.416 4.765 4.350 -0.001 0.000 0.281 299 T C 1.396 176.069 174.700 -0.045 0.000 0.993 299 T CA -0.916 61.157 62.100 -0.044 0.000 0.933 299 T CB 1.171 70.018 68.868 -0.036 0.000 1.187 299 T HN 0.293 nan 8.240 nan 0.000 0.559 300 K N -0.008 120.365 120.400 -0.045 0.000 2.147 300 K HA -0.015 4.304 4.320 -0.001 0.000 0.205 300 K C 2.360 178.938 176.600 -0.036 0.000 1.049 300 K CA 1.172 57.434 56.287 -0.041 0.000 0.936 300 K CB -0.096 32.380 32.500 -0.041 0.000 0.722 300 K HN 0.502 nan 8.250 nan 0.000 0.446 301 K N -0.615 119.763 120.400 -0.037 0.000 2.057 301 K HA -0.020 4.299 4.320 -0.001 0.000 0.206 301 K C 1.150 177.729 176.600 -0.035 0.000 1.050 301 K CA 1.087 57.352 56.287 -0.037 0.000 0.935 301 K CB 0.244 32.718 32.500 -0.044 0.000 0.715 301 K HN 0.277 nan 8.250 nan 0.000 0.439 302 G N -0.577 108.202 108.800 -0.034 0.000 2.512 302 G HA2 0.298 4.257 3.960 -0.001 0.000 0.186 302 G HA3 0.298 4.257 3.960 -0.001 0.000 0.186 302 G C -1.535 173.344 174.900 -0.035 0.000 1.189 302 G CA -0.112 44.969 45.100 -0.032 0.000 0.994 302 G HN 0.164 nan 8.290 nan 0.000 0.506 303 S N -1.132 114.548 115.700 -0.034 0.000 2.543 303 S HA 0.664 5.133 4.470 -0.001 0.000 0.274 303 S C -1.378 173.200 174.600 -0.037 0.000 1.149 303 S CA -0.776 57.399 58.200 -0.041 0.000 0.866 303 S CB 1.337 64.503 63.200 -0.058 0.000 1.111 303 S HN 0.868 nan 8.310 nan 0.000 0.457 304 I N 2.169 122.714 120.570 -0.041 0.000 2.377 304 I HA 0.452 4.622 4.170 -0.001 0.000 0.293 304 I C -0.321 175.748 176.117 -0.080 0.000 0.987 304 I CA -0.496 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 4.047 118.537 114.554 -0.107 0.000 2.792 305 T HA 0.263 4.612 4.350 -0.001 0.000 0.280 305 T C -0.321 174.257 174.700 -0.203 0.000 0.990 305 T CA -0.383 61.635 62.100 -0.137 0.000 0.960 305 T CB 1.488 70.285 68.868 -0.117 0.000 0.939 305 T HN 0.499 nan 8.240 nan 0.000 0.439 306 S N 2.412 117.987 115.700 -0.208 0.000 2.449 306 S HA 0.567 5.037 4.470 -0.001 0.000 0.310 306 S C -0.343 174.099 174.600 -0.263 0.000 1.096 306 S CA -0.598 57.453 58.200 -0.249 0.000 1.095 306 S CB 0.554 63.638 63.200 -0.194 0.000 1.007 306 S HN 0.483 nan 8.310 nan 0.000 0.474 307 V N 6.247 125.974 119.914 -0.311 0.000 2.333 307 V HA 0.386 4.505 4.120 -0.001 0.000 0.274 307 V C -0.167 175.946 176.094 0.032 0.000 1.028 307 V CA -0.446 61.781 62.300 -0.122 0.000 0.851 307 V CB 1.121 33.001 31.823 0.093 0.000 1.000 307 V HN 0.814 nan 8.190 nan 0.000 0.456 308 Q N 3.307 123.103 119.800 -0.006 0.000 2.325 308 Q HA 0.674 5.013 4.340 -0.001 0.000 0.262 308 Q C -0.101 175.931 176.000 0.055 0.000 0.968 308 Q CA -0.467 55.338 55.803 0.003 0.000 0.877 308 Q CB 2.136 30.840 28.738 -0.056 0.000 1.253 308 Q HN 0.870 nan 8.270 nan 0.000 0.448 309 A N 4.385 127.249 122.820 0.073 0.000 2.354 309 A HA 0.418 4.737 4.320 -0.001 0.000 0.281 309 A C -0.333 177.287 177.584 0.061 0.000 1.174 309 A CA -0.271 51.819 52.037 0.089 0.000 0.828 309 A CB 0.000 19.066 19.000 0.109 0.000 1.099 309 A HN 0.751 nan 8.150 nan 0.000 0.516 310 I N 2.518 123.080 120.570 -0.014 0.000 2.359 310 I HA 0.238 4.408 4.170 -0.001 0.000 0.294 310 I C -0.653 175.402 176.117 -0.103 0.000 0.987 310 I CA -0.517 60.733 61.300 -0.084 0.000 1.225 310 I CB 1.328 39.130 38.000 -0.329 0.000 1.366 310 I HN 0.728 nan 8.210 nan 0.000 0.466 311 Y N 6.962 127.198 120.300 -0.107 0.000 2.331 311 Y HA 0.543 5.092 4.550 -0.002 0.000 0.338 311 Y C -0.896 174.823 175.900 -0.302 0.000 0.976 311 Y CA -0.814 57.165 58.100 -0.201 0.000 1.137 311 Y CB 1.276 39.624 38.460 -0.186 0.000 1.172 311 Y HN 0.254 nan 8.280 nan 0.000 0.478 312 V N 9.774 129.119 119.914 -0.949 0.000 2.350 312 V HA 0.337 4.457 4.120 -0.001 0.000 0.276 312 V C -2.038 173.466 176.094 -0.984 0.000 1.028 312 V CA -1.923 59.950 62.300 -0.713 0.000 0.860 312 V CB 0.937 32.526 31.823 -0.389 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 1.048 32.677 31.700 -0.118 0.000 0.881 314 A N 2.888 125.624 122.820 -0.140 0.000 2.765 314 A HA -0.263 4.056 4.320 -0.001 0.000 0.286 314 A C 0.905 178.428 177.584 -0.101 0.000 1.457 314 A CA 1.467 53.457 52.037 -0.077 0.000 0.899 314 A CB -2.578 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 -1.640 118.657 120.400 -0.171 0.000 2.983 315 D HA -0.179 4.460 4.640 -0.001 0.000 0.225 315 D C -0.232 176.009 176.300 -0.099 0.000 1.174 315 D CA 1.991 55.910 54.000 -0.135 0.000 0.831 315 D CB -0.915 39.837 40.800 -0.081 0.000 1.104 315 D HN 0.889 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 0.222 4.861 4.640 -0.001 0.000 0.219 316 D C 1.416 177.668 176.300 -0.080 0.000 1.126 316 D CA -0.399 53.561 54.000 -0.068 0.000 0.890 316 D CB 0.233 41.012 40.800 -0.034 0.000 1.025 316 D HN 0.137 nan 8.370 nan 0.000 0.511 317 L N 2.515 123.682 121.223 -0.093 0.000 2.551 317 L HA -0.054 4.285 4.340 -0.001 0.000 0.228 317 L C 1.990 178.773 176.870 -0.145 0.000 1.153 317 L CA 1.091 55.846 54.840 -0.142 0.000 0.851 317 L CB -0.079 41.869 42.059 -0.185 0.000 0.959 317 L HN 0.458 nan 8.230 nan 0.000 0.451 318 T N -5.076 109.426 114.554 -0.087 0.000 3.145 318 T HA 0.016 4.365 4.350 -0.001 0.000 0.255 318 T C 0.569 175.257 174.700 -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 0.128 nan 8.240 nan 0.000 0.554 319 D N 2.289 122.688 120.400 -0.002 0.000 2.424 319 D HA 0.090 4.729 4.640 -0.001 0.000 0.244 319 D C -1.466 174.859 176.300 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 42.707 40.800 0.103 0.000 1.191 319 D HN -0.018 nan 8.370 nan 0.000 0.445 320 P HA -0.203 nan 4.420 nan 0.000 0.217 320 P C 0.868 178.001 177.300 -0.278 0.000 1.151 320 P CA 1.832 64.874 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 0.013 122.597 122.820 -0.393 0.000 1.835 321 A HA -0.117 4.202 4.320 -0.001 0.000 0.215 321 A C -0.019 177.582 177.584 0.029 0.000 1.199 321 A CA 2.259 54.135 52.037 -0.268 0.000 0.615 321 A CB -2.231 16.818 19.000 0.081 0.000 0.838 321 A HN 0.204 nan 8.150 nan 0.000 0.444 322 P HA -0.168 nan 4.420 nan 0.000 0.214 322 P C 1.737 179.154 177.300 0.196 0.000 1.163 322 P CA 2.262 65.469 63.100 0.179 0.000 0.883 322 P CB -0.354 31.402 31.700 0.092 0.000 0.788 323 A N -0.468 122.385 122.820 0.054 0.000 1.903 323 A HA -0.255 4.065 4.320 -0.001 0.000 0.219 323 A C 2.415 180.059 177.584 0.100 0.000 1.191 323 A CA 3.020 55.072 52.037 0.025 0.000 0.638 323 A CB -2.080 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 -0.189 114.408 114.554 0.072 0.000 2.652 324 T HA -0.143 4.207 4.350 -0.001 0.000 0.267 324 T C 2.050 176.866 174.700 0.193 0.000 1.039 324 T CA 2.125 64.280 62.100 0.092 0.000 1.153 324 T CB -0.720 68.172 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 4.233 4.350 -0.001 0.000 0.268 325 T C 1.539 176.401 174.700 0.270 0.000 1.036 325 T CA 1.182 63.435 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 1.581 121.587 119.950 0.093 0.000 2.494 326 F HA 0.140 4.666 4.527 -0.001 0.000 0.298 326 F C 2.447 178.265 175.800 0.031 0.000 1.106 326 F CA -0.021 58.025 58.000 0.076 0.000 1.452 326 F CB -0.753 38.285 39.000 0.064 0.000 1.085 326 F HN 0.152 nan 8.300 nan 0.000 0.569 327 A N -0.909 122.001 122.820 0.150 0.000 2.024 327 A HA -0.198 4.122 4.320 -0.001 0.000 0.220 327 A C 1.890 179.338 177.584 -0.226 0.000 1.164 327 A CA 1.721 53.715 52.037 -0.071 0.000 0.643 327 A CB -0.744 18.147 19.000 -0.182 0.000 0.806 327 A HN 0.465 nan 8.150 nan 0.000 0.451 328 H N -1.224 117.864 119.070 0.029 0.000 2.654 328 H HA 0.273 4.828 4.556 -0.001 0.000 0.264 328 H C 0.136 175.435 175.328 -0.048 0.000 0.954 328 H CA -0.096 55.947 56.048 -0.010 0.000 1.199 328 H CB 0.033 29.784 29.762 -0.018 0.000 1.446 328 H HN 0.329 nan 8.280 nan 0.000 0.516 329 L N 2.062 123.294 121.223 0.015 0.000 2.416 329 L HA 0.035 4.374 4.340 -0.001 0.000 0.272 329 L C 0.793 177.623 176.870 -0.067 0.000 1.161 329 L CA 0.164 54.953 54.840 -0.085 0.000 0.845 329 L CB 0.777 42.687 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 0.350 4.989 4.640 -0.001 0.000 0.210 330 D C 0.262 176.522 176.300 -0.066 0.000 1.094 330 D CA 0.382 54.347 54.000 -0.059 0.000 0.839 330 D CB 1.293 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 4.795 4.320 -0.001 0.000 0.294 331 A C -0.799 176.692 177.584 -0.156 0.000 1.035 331 A CA -0.728 51.247 52.037 -0.103 0.000 0.684 331 A CB 0.995 19.956 19.000 -0.065 0.000 1.282 331 A HN -0.035 nan 8.150 nan 0.000 0.417 332 T N -1.103 113.364 114.554 -0.144 0.000 2.841 332 T HA 0.760 5.109 4.350 -0.001 0.000 0.283 332 T C -0.561 174.066 174.700 -0.121 0.000 1.000 332 T CA -0.486 61.487 62.100 -0.210 0.000 0.977 332 T CB 1.758 70.373 68.868 -0.422 0.000 0.979 332 T HN 0.784 nan 8.240 nan 0.000 0.446 333 T N 2.979 117.500 114.554 -0.056 0.000 2.893 333 T HA 0.435 4.785 4.350 -0.001 0.000 0.324 333 T C -0.201 174.517 174.700 0.029 0.000 1.082 333 T CA -0.488 61.647 62.100 0.058 0.000 0.983 333 T CB 0.404 69.395 68.868 0.205 0.000 1.005 333 T HN 0.656 nan 8.240 nan 0.000 0.475 334 V N 6.086 125.972 119.914 -0.045 0.000 2.339 334 V HA 0.309 4.428 4.120 -0.001 0.000 0.261 334 V C 0.493 176.618 176.094 0.052 0.000 1.058 334 V CA -0.703 61.590 62.300 -0.012 0.000 0.897 334 V CB 0.144 31.909 31.823 -0.097 0.000 1.052 334 V HN 0.735 nan 8.190 nan 0.000 0.480 335 L N 4.115 125.401 121.223 0.105 0.000 2.367 335 L HA 0.369 4.709 4.340 -0.001 0.000 0.275 335 L C 0.616 177.507 176.870 0.035 0.000 1.129 335 L CA 0.494 55.371 54.840 0.063 0.000 0.839 335 L CB 1.362 43.472 42.059 0.085 0.000 1.133 335 L HN 0.708 nan 8.230 nan 0.000 0.453 336 S N 3.262 118.952 115.700 -0.016 0.000 2.519 336 S HA 0.340 4.809 4.470 -0.001 0.000 0.309 336 S C 0.851 175.416 174.600 -0.058 0.000 1.100 336 S CA -0.767 57.419 58.200 -0.023 0.000 1.059 336 S CB 1.494 64.677 63.200 -0.028 0.000 1.008 336 S HN 0.674 nan 8.310 nan 0.000 0.478 337 R N 2.735 123.216 120.500 -0.032 0.000 2.120 337 R HA -0.073 4.266 4.340 -0.001 0.000 0.234 337 R C 2.265 178.540 176.300 -0.043 0.000 1.123 337 R CA 1.535 57.613 56.100 -0.036 0.000 0.975 337 R CB -0.404 29.893 30.300 -0.005 0.000 0.866 337 R HN 0.782 nan 8.270 nan 0.000 0.446 338 A N 1.240 124.040 122.820 -0.034 0.000 1.873 338 A HA -0.134 4.185 4.320 -0.001 0.000 0.215 338 A C 2.003 179.562 177.584 -0.042 0.000 1.186 338 A CA 1.013 53.032 52.037 -0.029 0.000 0.616 338 A CB -0.309 18.677 19.000 -0.023 0.000 0.823 338 A HN 0.088 nan 8.150 nan 0.000 0.442 339 I N 0.179 120.711 120.570 -0.062 0.000 2.163 339 I HA -0.272 3.897 4.170 -0.001 0.000 0.243 339 I C 2.993 179.033 176.117 -0.127 0.000 1.085 339 I CA 1.507 62.762 61.300 -0.075 0.000 1.347 339 I CB -1.647 36.300 38.000 -0.088 0.000 1.044 339 I HN 0.375 nan 8.210 nan 0.000 0.408 340 A N 0.472 123.155 122.820 -0.228 0.000 1.917 340 A HA -0.259 4.061 4.320 -0.001 0.000 0.219 340 A C 2.230 179.768 177.584 -0.077 0.000 1.182 340 A CA 1.919 53.733 52.037 -0.373 0.000 0.633 340 A CB -0.839 17.927 19.000 -0.390 0.000 0.819 340 A HN 0.493 nan 8.150 nan 0.000 0.448 341 E N -0.491 119.691 120.200 -0.030 0.000 2.331 341 E HA -0.120 4.230 4.350 -0.001 0.000 0.199 341 E C 1.400 178.020 176.600 0.032 0.000 1.008 341 E CA 0.681 57.093 56.400 0.020 0.000 0.843 341 E CB -0.236 29.469 29.700 0.008 0.000 0.761 341 E HN 0.671 nan 8.360 nan 0.000 0.507 342 L N -0.922 120.316 121.223 0.024 0.000 2.599 342 L HA 0.103 4.442 4.340 -0.001 0.000 0.230 342 L C 1.639 178.560 176.870 0.085 0.000 1.141 342 L CA 0.476 55.341 54.840 0.043 0.000 0.877 342 L CB -0.079 42.009 42.059 0.049 0.000 1.009 342 L HN 0.309 nan 8.230 nan 0.000 0.447 343 G N 0.670 109.554 108.800 0.140 0.000 2.253 343 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.251 343 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.251 343 G C 0.442 175.609 174.900 0.444 0.000 0.998 343 G CA -0.187 45.087 45.100 0.290 0.000 0.621 343 G HN 0.270 nan 8.290 nan 0.000 0.524 344 I N 0.907 121.632 120.570 0.259 0.000 2.741 344 I HA 0.286 4.455 4.170 -0.001 0.000 0.288 344 I C 0.108 176.245 176.117 0.034 0.000 1.192 344 I CA 0.615 62.033 61.300 0.197 0.000 1.426 344 I CB -0.004 38.060 38.000 0.106 0.000 1.367 344 I HN 0.167 nan 8.210 nan 0.000 0.563 345 Y N 6.647 126.917 120.300 -0.050 0.000 2.482 345 Y HA 0.298 4.847 4.550 -0.002 0.000 0.334 345 Y C -2.306 173.435 175.900 -0.265 0.000 1.091 345 Y CA -2.268 55.737 58.100 -0.158 0.000 1.027 345 Y CB 1.915 40.252 38.460 -0.206 0.000 1.306 345 Y HN 0.410 nan 8.280 nan 0.000 0.446 346 P HA 0.047 nan 4.420 nan 0.000 0.265 346 P C -0.071 177.170 177.300 -0.099 0.000 1.193 346 P CA 0.143 63.188 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 3.647 126.327 122.820 -0.234 0.000 2.223 347 A HA 0.115 4.434 4.320 -0.001 0.000 0.222 347 A C 0.687 178.201 177.584 -0.116 0.000 1.317 347 A CA -0.080 51.785 52.037 -0.287 0.000 0.985 347 A CB -1.036 17.671 19.000 -0.489 0.000 0.858 347 A HN 0.408 nan 8.150 nan 0.000 0.496 348 V N 1.066 120.954 119.914 -0.044 0.000 2.740 348 V HA 0.021 4.141 4.120 -0.001 0.000 0.303 348 V C 0.358 176.439 176.094 -0.021 0.000 1.054 348 V CA -0.144 62.154 62.300 -0.005 0.000 1.106 348 V CB 1.130 32.969 31.823 0.028 0.000 0.957 348 V HN 0.552 nan 8.190 nan 0.000 0.486 349 D N 6.832 127.220 120.400 -0.019 0.000 2.347 349 D HA 0.247 4.886 4.640 -0.001 0.000 0.235 349 D C -1.355 174.927 176.300 -0.029 0.000 1.149 349 D CA -2.197 51.788 54.000 -0.025 0.000 0.850 349 D CB 1.817 42.602 40.800 -0.026 0.000 1.061 349 D HN 0.242 nan 8.370 nan 0.000 0.487 350 P HA -0.057 nan 4.420 nan 0.000 0.230 350 P C 1.134 178.409 177.300 -0.042 0.000 1.158 350 P CA 0.681 63.755 63.100 -0.043 0.000 0.769 350 P CB 0.521 32.194 31.700 -0.044 0.000 0.807 351 L N -1.693 119.509 121.223 -0.034 0.000 2.642 351 L HA 0.207 4.546 4.340 -0.001 0.000 0.233 351 L C 1.646 178.494 176.870 -0.037 0.000 1.077 351 L CA 0.444 55.265 54.840 -0.033 0.000 0.879 351 L CB -0.206 41.838 42.059 -0.025 0.000 1.151 351 L HN -0.204 nan 8.230 nan 0.000 0.495 352 D N -0.373 120.002 120.400 -0.042 0.000 2.301 352 D HA 0.036 4.675 4.640 -0.001 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 -0.056 0.000 0.874 352 D CB 0.408 41.177 40.800 -0.052 0.000 0.968 352 D HN -0.014 nan 8.370 nan 0.000 0.510 353 S N 0.067 115.721 115.700 -0.077 0.000 2.564 353 S HA 0.406 4.875 4.470 -0.001 0.000 0.278 353 S C 0.499 175.060 174.600 -0.065 0.000 1.333 353 S CA -0.254 57.893 58.200 -0.088 0.000 1.048 353 S CB 1.122 64.297 63.200 -0.042 0.000 0.900 353 S HN 0.335 nan 8.310 nan 0.000 0.505 354 T N -1.013 113.498 114.554 -0.073 0.000 2.838 354 T HA 0.792 5.141 4.350 -0.001 0.000 0.292 354 T C -0.686 174.003 174.700 -0.018 0.000 1.113 354 T CA -0.838 61.240 62.100 -0.036 0.000 1.008 354 T CB 1.893 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 -1.385 114.314 115.700 -0.002 0.000 2.543 355 S HA 0.418 4.888 4.470 -0.001 0.000 0.271 355 S C 0.578 175.180 174.600 0.004 0.000 1.148 355 S CA -0.787 57.415 58.200 0.004 0.000 0.914 355 S CB 1.766 64.980 63.200 0.024 0.000 1.096 355 S HN 0.790 nan 8.310 nan 0.000 0.471 356 R N 2.077 122.574 120.500 -0.004 0.000 2.092 356 R HA 0.064 4.403 4.340 -0.001 0.000 0.231 356 R C 1.818 178.111 176.300 -0.010 0.000 1.119 356 R CA 1.793 57.890 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 0.816 nan 8.270 nan 0.000 0.440 357 I N -1.797 118.764 120.570 -0.014 0.000 3.605 357 I HA 0.049 4.218 4.170 -0.001 0.000 0.301 357 I C 0.517 176.609 176.117 -0.042 0.000 1.267 357 I CA 0.349 61.632 61.300 -0.028 0.000 1.236 357 I CB -0.007 37.979 38.000 -0.024 0.000 1.010 357 I HN 0.005 nan 8.210 nan 0.000 0.491 358 M N 3.006 122.599 119.600 -0.012 0.000 3.422 358 M HA 0.231 4.710 4.480 -0.001 0.000 0.248 358 M C -0.998 175.350 176.300 0.080 0.000 1.433 358 M CA 0.483 55.803 55.300 0.033 0.000 1.592 358 M CB -1.014 31.622 32.600 0.061 0.000 1.078 358 M HN 0.252 nan 8.290 nan 0.000 0.578 359 D N 2.445 122.807 120.400 -0.063 0.000 2.757 359 D HA 0.400 5.040 4.640 -0.001 0.000 0.249 359 D C -1.834 174.294 176.300 -0.287 0.000 1.168 359 D CA -1.572 52.275 54.000 -0.254 0.000 0.870 359 D CB 2.367 43.070 40.800 -0.160 0.000 1.411 359 D HN 0.075 nan 8.370 nan 0.000 0.525 360 P HA -0.164 nan 4.420 nan 0.000 0.217 360 P C 0.411 177.624 177.300 -0.146 0.000 1.148 360 P CA 1.075 64.007 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 0.027 4.766 4.740 -0.001 0.000 0.189 361 N C 1.517 176.985 175.510 -0.070 0.000 1.154 361 N CA 0.556 53.547 53.050 -0.098 0.000 0.907 361 N CB -0.214 38.215 38.487 -0.096 0.000 0.977 361 N HN 0.271 nan 8.380 nan 0.000 0.449 362 I N -2.066 118.458 120.570 -0.076 0.000 4.578 362 I HA 0.001 4.170 4.170 -0.001 0.000 0.312 362 I C 1.205 177.302 176.117 -0.034 0.000 1.224 362 I CA 0.203 61.473 61.300 -0.050 0.000 1.318 362 I CB 0.428 38.395 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 4.722 4.120 -0.001 0.000 0.276 363 V C 0.860 176.997 176.094 0.073 0.000 1.317 363 V CA 0.167 62.446 62.300 -0.036 0.000 1.097 363 V CB -0.619 31.023 31.823 -0.302 0.000 0.863 363 V HN 0.449 nan 8.190 nan 0.000 0.438 364 G N 0.976 109.804 108.800 0.047 0.000 2.879 364 G HA2 -0.140 3.819 3.960 -0.001 0.000 0.686 364 G HA3 -0.140 3.819 3.960 -0.001 0.000 0.686 364 G C 0.485 175.467 174.900 0.136 0.000 1.115 364 G CA 0.499 45.646 45.100 0.078 0.000 0.770 364 G HN 1.213 nan 8.290 nan 0.000 0.601 365 S N 0.440 116.207 115.700 0.111 0.000 2.381 365 S HA -0.257 4.213 4.470 -0.001 0.000 0.230 365 S C 1.898 176.612 174.600 0.190 0.000 1.052 365 S CA 2.494 60.789 58.200 0.159 0.000 1.068 365 S CB -0.296 62.962 63.200 0.098 0.000 0.918 365 S HN 0.994 nan 8.310 nan 0.000 0.448 366 E N 0.081 120.370 120.200 0.148 0.000 2.005 366 E HA -0.299 4.050 4.350 -0.001 0.000 0.198 366 E C 2.042 178.751 176.600 0.182 0.000 1.010 366 E CA 1.657 58.136 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 -1.391 117.728 119.070 0.083 0.000 2.292 367 H HA -0.268 4.287 4.556 -0.001 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 29.522 29.762 0.076 0.000 1.355 367 H HN 0.317 nan 8.280 nan 0.000 0.484 368 Y N 1.545 121.935 120.300 0.150 0.000 2.165 368 Y HA -0.248 4.301 4.550 -0.001 0.000 0.286 368 Y C 2.018 177.954 175.900 0.059 0.000 1.155 368 Y CA 1.990 60.114 58.100 0.040 0.000 1.164 368 Y CB -0.286 38.172 38.460 -0.003 0.000 0.978 368 Y HN 0.369 nan 8.280 nan 0.000 0.513 369 D N -0.843 119.580 120.400 0.038 0.000 2.149 369 D HA -0.142 4.497 4.640 -0.001 0.000 0.201 369 D C 2.428 178.692 176.300 -0.061 0.000 0.972 369 D CA 1.408 55.377 54.000 -0.051 0.000 0.835 369 D CB -0.379 40.455 40.800 0.056 0.000 0.966 369 D HN 0.312 nan 8.370 nan 0.000 0.476 370 V N 1.816 121.737 119.914 0.010 0.000 2.261 370 V HA -0.261 3.859 4.120 -0.001 0.000 0.246 370 V C 2.628 178.703 176.094 -0.033 0.000 1.047 370 V CA 1.911 64.224 62.300 0.022 0.000 1.015 370 V CB -0.938 30.922 31.823 0.061 0.000 0.642 370 V HN 0.169 nan 8.190 nan 0.000 0.446 371 A N 0.201 122.995 122.820 -0.043 0.000 1.873 371 A HA -0.259 4.060 4.320 -0.001 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 -0.099 0.000 0.629 371 A CB -0.566 18.405 19.000 -0.049 0.000 0.826 371 A HN 0.426 nan 8.150 nan 0.000 0.447 372 R N -0.428 119.908 120.500 -0.273 0.000 2.237 372 R HA -0.074 4.265 4.340 -0.001 0.000 0.219 372 R C 2.097 178.316 176.300 -0.136 0.000 1.080 372 R CA 1.005 56.946 56.100 -0.264 0.000 0.995 372 R CB -1.121 28.920 30.300 -0.432 0.000 0.875 372 R HN 0.586 nan 8.270 nan 0.000 0.462 373 G N -0.017 108.727 108.800 -0.094 0.000 2.411 373 G HA2 -0.104 3.855 3.960 -0.001 0.000 0.213 373 G HA3 -0.104 3.855 3.960 -0.001 0.000 0.213 373 G C 1.509 176.400 174.900 -0.015 0.000 1.166 373 G CA 0.197 45.276 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 -0.283 3.836 4.120 -0.001 0.000 0.248 374 V C 2.898 178.977 176.094 -0.025 0.000 1.053 374 V CA 2.300 64.588 62.300 -0.019 0.000 1.027 374 V CB -0.724 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 -0.182 119.585 119.800 -0.054 0.000 2.046 375 Q HA -0.246 4.094 4.340 -0.001 0.000 0.200 375 Q C 2.368 178.359 176.000 -0.014 0.000 0.975 375 Q CA 1.823 57.603 55.803 -0.039 0.000 0.836 375 Q CB -0.250 28.452 28.738 -0.059 0.000 0.896 375 Q HN 0.616 nan 8.270 nan 0.000 0.428 376 K N 0.792 121.181 120.400 -0.019 0.000 2.009 376 K HA -0.215 4.105 4.320 -0.001 0.000 0.210 376 K C 1.989 178.602 176.600 0.021 0.000 1.049 376 K CA 1.246 57.532 56.287 -0.003 0.000 0.929 376 K CB -0.213 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 1.437 122.023 120.570 0.027 0.000 2.151 377 I HA -0.278 3.891 4.170 -0.001 0.000 0.243 377 I C 1.877 178.048 176.117 0.090 0.000 1.080 377 I CA 1.453 62.783 61.300 0.049 0.000 1.339 377 I CB -0.143 37.879 38.000 0.038 0.000 1.039 377 I HN 0.262 nan 8.210 nan 0.000 0.409 378 L N -0.652 120.620 121.223 0.081 0.000 2.131 378 L HA -0.261 4.078 4.340 -0.001 0.000 0.210 378 L C 2.476 179.400 176.870 0.089 0.000 1.092 378 L CA 1.327 56.237 54.840 0.117 0.000 0.759 378 L CB -0.569 41.532 42.059 0.069 0.000 0.903 378 L HN 0.392 nan 8.230 nan 0.000 0.435 379 Q N -0.397 119.432 119.800 0.048 0.000 2.020 379 Q HA -0.172 4.167 4.340 -0.001 0.000 0.198 379 Q C 1.884 177.903 176.000 0.032 0.000 0.974 379 Q CA 1.407 57.223 55.803 0.021 0.000 0.829 379 Q CB 0.049 28.792 28.738 0.008 0.000 0.894 379 Q HN 0.453 nan 8.270 nan 0.000 0.433 380 D N 0.038 120.472 120.400 0.056 0.000 2.116 380 D HA -0.214 4.425 4.640 -0.001 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 -0.227 4.323 4.550 -0.001 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 -0.295 120.012 120.400 -0.155 0.000 2.074 382 K HA -0.204 4.115 4.320 -0.001 0.000 0.209 382 K C 2.283 178.790 176.600 -0.155 0.000 1.048 382 K CA 1.773 57.916 56.287 -0.239 0.000 0.926 382 K CB -0.228 32.198 32.500 -0.124 0.000 0.713 382 K HN 0.352 nan 8.250 nan 0.000 0.444 383 S N 1.321 116.982 115.700 -0.065 0.000 2.365 383 S HA -0.167 4.303 4.470 -0.001 0.000 0.221 383 S C 1.877 176.457 174.600 -0.033 0.000 1.037 383 S CA 1.499 59.677 58.200 -0.035 0.000 1.060 383 S CB -0.391 62.807 63.200 -0.003 0.000 0.974 383 S HN 0.263 nan 8.310 nan 0.000 0.427 384 L N 1.486 122.709 121.223 -0.000 0.000 2.129 384 L HA -0.214 4.125 4.340 -0.001 0.000 0.212 384 L C 2.774 179.641 176.870 -0.005 0.000 1.087 384 L CA 1.189 56.046 54.840 0.029 0.000 0.757 384 L CB -0.689 41.437 42.059 0.111 0.000 0.896 384 L HN 0.416 nan 8.230 nan 0.000 0.434 385 Q N 0.114 119.852 119.800 -0.103 0.000 2.156 385 Q HA -0.287 4.052 4.340 -0.001 0.000 0.211 385 Q C 1.762 177.723 176.000 -0.066 0.000 0.995 385 Q CA 2.139 57.856 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 -0.235 120.131 120.400 -0.055 0.000 2.117 386 D HA -0.121 4.518 4.640 -0.001 0.000 0.198 386 D C 1.770 178.061 176.300 -0.013 0.000 0.982 386 D CA 0.793 54.773 54.000 -0.033 0.000 0.828 386 D CB -0.137 40.645 40.800 -0.030 0.000 0.967 386 D HN 0.173 nan 8.370 nan 0.000 0.464 387 I N 0.949 121.516 120.570 -0.005 0.000 2.113 387 I HA -0.253 3.917 4.170 -0.001 0.000 0.238 387 I C 2.115 178.240 176.117 0.013 0.000 1.070 387 I CA 0.624 61.928 61.300 0.007 0.000 1.332 387 I CB -0.262 37.746 38.000 0.013 0.000 1.044 387 I HN -0.030 nan 8.210 nan 0.000 0.402 388 I N 0.896 121.481 120.570 0.024 0.000 2.103 388 I HA -0.406 3.763 4.170 -0.001 0.000 0.241 388 I C 2.652 178.782 176.117 0.023 0.000 1.036 388 I CA 2.126 63.446 61.300 0.033 0.000 1.300 388 I CB -2.019 36.016 38.000 0.058 0.000 1.010 388 I HN 0.287 nan 8.210 nan 0.000 0.406 389 A N 0.172 123.001 122.820 0.014 0.000 1.933 389 A HA -0.131 4.189 4.320 -0.001 0.000 0.218 389 A C 2.208 179.796 177.584 0.007 0.000 1.175 389 A CA 1.364 53.407 52.037 0.009 0.000 0.628 389 A CB -0.365 18.635 19.000 0.000 0.000 0.814 389 A HN 0.332 nan 8.150 nan 0.000 0.444 390 I N -0.311 120.262 120.570 0.005 0.000 2.490 390 I HA -0.027 4.142 4.170 -0.001 0.000 0.234 390 I C 2.057 178.178 176.117 0.006 0.000 1.066 390 I CA 0.872 62.174 61.300 0.004 0.000 1.405 390 I CB -1.613 36.387 38.000 0.001 0.000 1.191 390 I HN 0.245 nan 8.210 nan 0.000 0.433 391 L N 1.008 122.235 121.223 0.007 0.000 2.650 391 L HA 0.313 4.652 4.340 -0.001 0.000 0.235 391 L C 0.796 177.673 176.870 0.011 0.000 1.149 391 L CA 0.154 54.999 54.840 0.008 0.000 0.887 391 L CB -1.413 40.651 42.059 0.008 0.000 1.021 391 L HN 0.463 nan 8.230 nan 0.000 0.441 392 G N 0.407 109.215 108.800 0.013 0.000 2.778 392 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.686 392 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.686 392 G C 0.087 174.998 174.900 0.020 0.000 1.309 392 G CA -0.486 44.623 45.100 0.016 0.000 0.904 392 G HN 0.127 nan 8.290 nan 0.000 0.593 393 M N 0.846 120.460 119.600 0.024 0.000 2.873 393 M HA -0.049 4.430 4.480 -0.001 0.000 0.208 393 M C 0.864 177.178 176.300 0.023 0.000 0.965 393 M CA 1.242 56.559 55.300 0.029 0.000 1.103 393 M CB -0.332 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 -1.128 119.283 120.400 0.019 0.000 2.510 394 D HA 0.007 4.646 4.640 -0.001 0.000 0.234 394 D C 1.185 177.494 176.300 0.015 0.000 1.178 394 D CA 0.064 54.074 54.000 0.016 0.000 0.816 394 D CB 0.396 41.204 40.800 0.013 0.000 1.143 394 D HN 0.298 nan 8.370 nan 0.000 0.526 395 E N 0.940 121.149 120.200 0.015 0.000 2.515 395 E HA -0.015 4.335 4.350 -0.001 0.000 0.201 395 E C 0.444 177.053 176.600 0.014 0.000 1.071 395 E CA 0.019 56.427 56.400 0.013 0.000 0.880 395 E CB 0.065 29.772 29.700 0.012 0.000 0.828 395 E HN 0.378 nan 8.360 nan 0.000 0.540 396 L N 2.483 123.716 121.223 0.017 0.000 2.628 396 L HA -0.064 4.275 4.340 -0.001 0.000 0.274 396 L C 0.975 177.854 176.870 0.015 0.000 1.209 396 L CA 0.074 54.925 54.840 0.019 0.000 0.930 396 L CB -0.027 42.046 42.059 0.023 0.000 1.183 396 L HN 0.027 nan 8.230 nan 0.000 0.492 397 S N 1.681 117.389 115.700 0.014 0.000 2.603 397 S HA 0.112 4.581 4.470 -0.001 0.000 0.268 397 S C 0.900 175.505 174.600 0.009 0.000 1.317 397 S CA -0.807 57.400 58.200 0.011 0.000 1.012 397 S CB 1.338 64.544 63.200 0.011 0.000 0.926 397 S HN 0.675 nan 8.310 nan 0.000 0.539 398 E N 0.740 120.945 120.200 0.008 0.000 2.284 398 E HA -0.225 4.124 4.350 -0.001 0.000 0.200 398 E C 1.642 178.245 176.600 0.005 0.000 1.008 398 E CA 1.657 58.061 56.400 0.006 0.000 0.829 398 E CB -0.036 29.667 29.700 0.005 0.000 0.744 398 E HN 0.757 nan 8.360 nan 0.000 0.491 399 E N 0.134 120.338 120.200 0.006 0.000 2.057 399 E HA -0.092 4.257 4.350 -0.001 0.000 0.190 399 E C 1.608 178.213 176.600 0.008 0.000 0.969 399 E CA 0.345 56.749 56.400 0.006 0.000 0.812 399 E CB 0.161 29.866 29.700 0.008 0.000 0.777 399 E HN 0.105 nan 8.360 nan 0.000 0.455 400 D N 0.922 121.330 120.400 0.013 0.000 2.263 400 D HA -0.100 4.540 4.640 -0.001 0.000 0.208 400 D C 1.378 177.687 176.300 0.016 0.000 0.971 400 D CA 0.951 54.964 54.000 0.020 0.000 0.867 400 D CB 0.116 40.932 40.800 0.025 0.000 0.929 400 D HN 0.100 nan 8.370 nan 0.000 0.492 401 K N -0.390 120.014 120.400 0.007 0.000 2.361 401 K HA 0.023 4.342 4.320 -0.001 0.000 0.196 401 K C 1.636 178.226 176.600 -0.017 0.000 1.039 401 K CA 0.019 56.306 56.287 -0.001 0.000 1.001 401 K CB 0.540 33.041 32.500 0.003 0.000 0.795 401 K HN 0.031 nan 8.250 nan 0.000 0.495 402 L N 1.055 122.270 121.223 -0.015 0.000 2.202 402 L HA -0.081 4.258 4.340 -0.001 0.000 0.205 402 L C 2.557 179.404 176.870 -0.040 0.000 1.083 402 L CA 1.619 56.444 54.840 -0.024 0.000 0.790 402 L CB -0.559 41.492 42.059 -0.013 0.000 0.942 402 L HN 0.243 nan 8.230 nan 0.000 0.452 403 T N -3.779 110.760 114.554 -0.025 0.000 2.788 403 T HA -0.158 4.191 4.350 -0.001 0.000 0.268 403 T C 1.818 176.468 174.700 -0.085 0.000 1.044 403 T CA 1.624 63.709 62.100 -0.025 0.000 1.139 403 T CB -0.917 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 2.851 122.705 119.914 -0.101 0.000 2.229 404 V HA -0.184 3.936 4.120 -0.001 0.000 0.243 404 V C 3.215 179.120 176.094 -0.316 0.000 1.042 404 V CA 2.100 64.241 62.300 -0.265 0.000 1.000 404 V CB -1.446 30.294 31.823 -0.139 0.000 0.637 404 V HN 0.791 nan 8.190 nan 0.000 0.446 405 S N 1.570 117.167 115.700 -0.172 0.000 2.389 405 S HA -0.381 4.088 4.470 -0.001 0.000 0.229 405 S C 2.046 176.549 174.600 -0.161 0.000 1.048 405 S CA 2.331 60.450 58.200 -0.135 0.000 1.117 405 S CB -0.773 62.386 63.200 -0.069 0.000 1.020 405 S HN 0.589 nan 8.310 nan 0.000 0.430 406 R N 1.999 122.416 120.500 -0.140 0.000 2.080 406 R HA 0.005 4.344 4.340 -0.001 0.000 0.236 406 R C 2.919 179.120 176.300 -0.164 0.000 1.137 406 R CA 1.371 57.385 56.100 -0.144 0.000 0.943 406 R CB -1.151 29.097 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 -0.178 0.000 1.917 407 A HA -0.229 4.090 4.320 -0.001 0.000 0.219 407 A C 2.125 179.591 177.584 -0.196 0.000 1.182 407 A CA 1.661 53.597 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 4.287 4.340 -0.001 0.000 0.227 408 R C 2.031 178.264 176.300 -0.112 0.000 1.103 408 R CA 1.326 57.297 56.100 -0.215 0.000 0.983 408 R CB -0.263 29.900 30.300 -0.227 0.000 0.874 408 R HN 0.533 nan 8.270 nan 0.000 0.451 409 K N 0.746 121.026 120.400 -0.201 0.000 2.076 409 K HA 0.019 4.338 4.320 -0.001 0.000 0.204 409 K C 2.140 178.531 176.600 -0.349 0.000 1.051 409 K CA 0.877 56.920 56.287 -0.406 0.000 0.949 409 K CB -0.029 32.047 32.500 -0.706 0.000 0.726 409 K HN 0.080 nan 8.250 nan 0.000 0.443 410 I N 1.393 121.864 120.570 -0.164 0.000 2.099 410 I HA -0.356 3.813 4.170 -0.001 0.000 0.239 410 I C 2.710 178.956 176.117 0.215 0.000 1.066 410 I CA 1.431 62.794 61.300 0.105 0.000 1.324 410 I CB -0.309 37.787 38.000 0.160 0.000 1.037 410 I HN 0.279 nan 8.210 nan 0.000 0.401 411 Q N 0.544 120.423 119.800 0.132 0.000 2.156 411 Q HA -0.265 4.074 4.340 -0.001 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 0.018 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 2.073 412 R HA -0.100 4.239 4.340 -0.001 0.000 0.229 412 R C 2.158 178.645 176.300 0.312 0.000 1.120 412 R CA 0.977 57.244 56.100 0.278 0.000 0.967 412 R CB -0.645 29.845 30.300 0.316 0.000 0.862 412 R HN 0.263 nan 8.270 nan 0.000 0.436 413 F N 2.062 122.048 119.950 0.060 0.000 2.307 413 F HA -0.066 4.460 4.527 -0.001 0.000 0.301 413 F C 1.768 177.698 175.800 0.217 0.000 1.076 413 F CA 0.898 58.892 58.000 -0.010 0.000 1.383 413 F CB -0.231 38.501 39.000 -0.448 0.000 1.055 413 F HN -0.089 nan 8.300 nan 0.000 0.526 414 L N -0.385 121.026 121.223 0.314 0.000 2.552 414 L HA -0.007 4.332 4.340 -0.001 0.000 0.227 414 L C 1.349 178.270 176.870 0.084 0.000 1.146 414 L CA 0.312 55.281 54.840 0.215 0.000 0.858 414 L CB -0.636 41.510 42.059 0.145 0.000 0.969 414 L HN 0.121 nan 8.230 nan 0.000 0.451 415 S N -0.684 115.069 115.700 0.089 0.000 2.669 415 S HA 0.524 4.994 4.470 -0.001 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 2.136 65.345 63.200 0.015 0.000 0.987 415 S HN 0.237 nan 8.310 nan 0.000 0.552 416 Q N -0.158 119.589 119.800 -0.088 0.000 2.617 416 Q HA 0.323 4.662 4.340 -0.001 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 2.003 30.774 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 -1.055 176.376 177.300 0.219 0.000 1.262 417 P CA -0.040 63.058 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 1.975 121.920 119.950 -0.009 0.000 2.399 418 F HA 0.273 4.799 4.527 -0.001 0.000 0.334 418 F C 1.947 177.761 175.800 0.022 0.000 1.097 418 F CA -0.885 57.119 58.000 0.006 0.000 1.076 418 F CB 1.084 40.088 39.000 0.006 0.000 1.162 418 F HN 0.335 nan 8.300 nan 0.000 0.495 419 Q N 1.283 121.193 119.800 0.183 0.000 2.291 419 Q HA -0.067 4.273 4.340 -0.001 0.000 0.205 419 Q C 1.926 178.000 176.000 0.125 0.000 0.970 419 Q CA 0.776 56.647 55.803 0.112 0.000 0.876 419 Q CB -0.065 28.704 28.738 0.052 0.000 0.935 419 Q HN 0.536 nan 8.270 nan 0.000 0.455 420 V N 0.483 120.483 119.914 0.143 0.000 2.515 420 V HA -0.139 3.980 4.120 -0.001 0.000 0.250 420 V C 1.196 177.398 176.094 0.180 0.000 1.058 420 V CA 1.417 63.798 62.300 0.136 0.000 1.064 420 V CB -0.381 31.509 31.823 0.112 0.000 0.675 420 V HN 0.298 nan 8.190 nan 0.000 0.461 421 A N -0.561 122.373 122.820 0.191 0.000 3.245 421 A HA 0.388 4.707 4.320 -0.001 0.000 0.282 421 A C 1.124 178.844 177.584 0.227 0.000 1.417 421 A CA -0.205 51.941 52.037 0.181 0.000 1.149 421 A CB -0.176 18.833 19.000 0.014 0.000 1.155 421 A HN 0.507 nan 8.150 nan 0.000 0.602 422 E N -0.422 119.922 120.200 0.239 0.000 2.332 422 E HA -0.004 4.345 4.350 -0.001 0.000 0.202 422 E C 1.305 177.986 176.600 0.134 0.000 0.877 422 E CA 0.432 56.930 56.400 0.162 0.000 0.979 422 E CB 0.386 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 1.081 121.075 119.914 0.133 0.000 2.982 423 V HA -0.201 3.918 4.120 -0.001 0.000 0.265 423 V C 1.220 177.174 176.094 -0.234 0.000 1.122 423 V CA 1.617 63.863 62.300 -0.090 0.000 1.143 423 V CB -0.526 31.148 31.823 -0.249 0.000 0.726 423 V HN 0.199 nan 8.190 nan 0.000 0.507 424 F N -0.363 119.598 119.950 0.017 0.000 2.531 424 F HA 0.078 4.604 4.527 -0.001 0.000 0.273 424 F C 2.465 178.282 175.800 0.029 0.000 0.960 424 F CA 0.873 58.881 58.000 0.013 0.000 1.207 424 F CB -1.018 37.981 39.000 -0.002 0.000 1.012 424 F HN 0.086 nan 8.300 nan 0.000 0.738 425 T N -2.018 112.696 114.554 0.266 0.000 3.160 425 T HA 0.243 4.592 4.350 -0.001 0.000 0.257 425 T C 1.852 176.763 174.700 0.351 0.000 1.147 425 T CA 0.679 62.909 62.100 0.216 0.000 1.064 425 T CB -0.704 68.226 68.868 0.103 0.000 0.949 425 T HN 0.561 nan 8.240 nan 0.000 0.526 426 G N 1.018 109.930 108.800 0.186 0.000 2.200 426 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.267 426 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.267 426 G C -0.133 174.694 174.900 -0.123 0.000 0.993 426 G CA 0.768 45.893 45.100 0.041 0.000 0.701 426 G HN 0.781 nan 8.290 nan 0.000 0.524 427 H N -1.980 117.105 119.070 0.025 0.000 2.731 427 H HA 0.678 5.234 4.556 -0.001 0.000 0.368 427 H C -0.194 175.149 175.328 0.025 0.000 1.168 427 H CA -1.068 54.990 56.048 0.016 0.000 1.181 427 H CB 1.466 31.230 29.762 0.002 0.000 1.743 427 H HN 0.131 nan 8.280 nan 0.000 0.547 428 L N 1.630 122.926 121.223 0.123 0.000 2.319 428 L HA 0.381 4.720 4.340 -0.001 0.000 0.280 428 L C 0.852 177.778 176.870 0.094 0.000 1.099 428 L CA 0.180 55.069 54.840 0.081 0.000 0.828 428 L CB 0.503 42.590 42.059 0.046 0.000 1.150 428 L HN 0.850 nan 8.230 nan 0.000 0.442 429 G N 4.019 112.874 108.800 0.092 0.000 2.491 429 G HA2 0.303 4.263 3.960 -0.001 0.000 0.242 429 G HA3 0.303 4.263 3.960 -0.001 0.000 0.242 429 G C -0.500 174.448 174.900 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 1.035 121.491 120.400 0.093 0.000 2.345 430 K HA 0.304 4.623 4.320 -0.001 0.000 0.255 430 K C -0.963 175.667 176.600 0.050 0.000 0.934 430 K CA -1.025 55.301 56.287 0.065 0.000 0.801 430 K CB 2.250 34.790 32.500 0.068 0.000 1.137 430 K HN 0.325 nan 8.250 nan 0.000 0.424 431 L N 3.952 125.184 121.223 0.015 0.000 2.603 431 L HA 0.258 4.598 4.340 -0.001 0.000 0.242 431 L C -0.882 175.982 176.870 -0.011 0.000 1.169 431 L CA -0.741 54.090 54.840 -0.016 0.000 1.029 431 L CB 0.396 42.429 42.059 -0.043 0.000 1.361 431 L HN 0.242 nan 8.230 nan 0.000 0.439 432 V N 4.665 124.581 119.914 0.004 0.000 2.694 432 V HA 0.152 4.271 4.120 -0.001 0.000 0.306 432 V C -1.659 174.430 176.094 -0.007 0.000 1.054 432 V CA -0.549 61.756 62.300 0.008 0.000 1.161 432 V CB 0.043 31.872 31.823 0.010 0.000 0.916 432 V HN 0.626 nan 8.190 nan 0.000 0.490 433 P HA 0.199 nan 4.420 nan 0.000 0.281 433 P C 0.576 177.873 177.300 -0.004 0.000 1.249 433 P CA -0.637 62.458 63.100 -0.009 0.000 0.810 433 P CB 0.974 32.672 31.700 -0.004 0.000 1.008 434 L N 2.816 124.031 121.223 -0.012 0.000 2.043 434 L HA -0.209 4.131 4.340 -0.001 0.000 0.212 434 L C 2.064 178.911 176.870 -0.039 0.000 1.075 434 L CA 2.080 56.901 54.840 -0.032 0.000 0.752 434 L CB -0.999 41.050 42.059 -0.018 0.000 0.891 434 L HN 0.334 nan 8.230 nan 0.000 0.432 435 K N -0.978 119.417 120.400 -0.009 0.000 2.057 435 K HA -0.153 4.166 4.320 -0.001 0.000 0.207 435 K C 1.958 178.578 176.600 0.033 0.000 1.049 435 K CA 1.336 57.627 56.287 0.007 0.000 0.931 435 K CB -0.053 32.457 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 4.258 4.350 -0.001 0.000 0.193 436 E C 1.985 178.659 176.600 0.125 0.000 0.985 436 E CA 1.064 57.511 56.400 0.079 0.000 0.814 436 E CB -0.298 29.443 29.700 0.068 0.000 0.752 436 E HN 0.246 nan 8.360 nan 0.000 0.466 437 T N 2.153 116.760 114.554 0.088 0.000 2.668 437 T HA -0.091 4.258 4.350 -0.001 0.000 0.262 437 T C 1.927 176.751 174.700 0.206 0.000 1.045 437 T CA 1.195 63.371 62.100 0.127 0.000 1.152 437 T CB -0.098 68.779 68.868 0.015 0.000 0.864 437 T HN 0.080 nan 8.240 nan 0.000 0.419 438 I N 1.254 121.860 120.570 0.059 0.000 2.286 438 I HA -0.089 4.080 4.170 -0.001 0.000 0.248 438 I C 2.185 178.391 176.117 0.149 0.000 1.115 438 I CA 1.419 62.753 61.300 0.056 0.000 1.392 438 I CB -1.228 36.738 38.000 -0.058 0.000 1.065 438 I HN 0.239 nan 8.210 nan 0.000 0.418 439 K N 1.297 121.778 120.400 0.135 0.000 2.002 439 K HA -0.076 4.243 4.320 -0.001 0.000 0.209 439 K C 2.286 179.005 176.600 0.198 0.000 1.048 439 K CA 1.474 57.846 56.287 0.141 0.000 0.930 439 K CB -0.713 31.857 32.500 0.117 0.000 0.714 439 K HN 0.417 nan 8.250 nan 0.000 0.438 440 G N 1.117 110.072 108.800 0.258 0.000 2.764 440 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.219 440 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.219 440 G C 1.275 176.312 174.900 0.228 0.000 1.259 440 G CA 1.445 46.736 45.100 0.319 0.000 0.793 440 G HN 0.211 nan 8.290 nan 0.000 0.633 441 F N 1.089 121.263 119.950 0.372 0.000 2.202 441 F HA -0.082 4.444 4.527 -0.001 0.000 0.301 441 F C 2.913 178.788 175.800 0.124 0.000 1.082 441 F CA 1.683 59.821 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 0.261 nan 8.300 nan 0.000 0.495 442 Q N 0.479 120.434 119.800 0.259 0.000 2.045 442 Q HA -0.302 4.037 4.340 -0.001 0.000 0.206 442 Q C 2.172 178.233 176.000 0.101 0.000 0.991 442 Q CA 2.348 58.240 55.803 0.149 0.000 0.851 442 Q CB -0.205 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 -0.281 119.581 119.800 0.102 0.000 2.084 443 Q HA -0.158 4.182 4.340 -0.001 0.000 0.202 443 Q C 2.149 178.157 176.000 0.013 0.000 0.978 443 Q CA 1.473 57.299 55.803 0.038 0.000 0.844 443 Q CB -0.083 28.730 28.738 0.125 0.000 0.898 443 Q HN 0.478 nan 8.270 nan 0.000 0.426 444 I N 0.788 121.404 120.570 0.076 0.000 2.208 444 I HA -0.269 3.900 4.170 -0.001 0.000 0.245 444 I C 2.283 178.397 176.117 -0.005 0.000 1.097 444 I CA 1.419 62.724 61.300 0.008 0.000 1.363 444 I CB -1.140 36.787 38.000 -0.121 0.000 1.051 444 I HN 0.283 nan 8.210 nan 0.000 0.413 445 L N 0.931 122.179 121.223 0.041 0.000 2.017 445 L HA -0.197 4.143 4.340 -0.001 0.000 0.208 445 L C 2.944 179.817 176.870 0.005 0.000 1.073 445 L CA 1.483 56.343 54.840 0.034 0.000 0.745 445 L CB -0.822 41.275 42.059 0.064 0.000 0.894 445 L HN 0.207 nan 8.230 nan 0.000 0.432 446 A N -0.327 122.492 122.820 -0.001 0.000 1.917 446 A HA -0.136 4.184 4.320 -0.001 0.000 0.219 446 A C 1.907 179.462 177.584 -0.049 0.000 1.182 446 A CA 2.087 54.109 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 -2.021 106.736 108.800 -0.071 0.000 2.168 447 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.197 447 G HA3 -0.187 3.772 3.960 -0.001 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 -0.073 0.000 0.658 447 G HN 0.521 nan 8.290 nan 0.000 0.513 448 E N -0.869 119.166 120.200 -0.276 0.000 2.204 448 E HA -0.054 4.296 4.350 -0.001 0.000 0.195 448 E C 0.824 176.994 176.600 -0.717 0.000 0.990 448 E CA 1.161 57.241 56.400 -0.534 0.000 0.821 448 E CB -0.073 29.156 29.700 -0.784 0.000 0.750 448 E HN 0.727 nan 8.360 nan 0.000 0.477 449 Y N -0.243 120.005 120.300 -0.087 0.000 2.720 449 Y HA 0.160 4.709 4.550 -0.001 0.000 0.268 449 Y C 0.929 176.668 175.900 -0.268 0.000 1.142 449 Y CA -0.644 57.296 58.100 -0.267 0.000 1.193 449 Y CB 0.377 38.792 38.460 -0.075 0.000 1.176 449 Y HN -0.115 nan 8.280 nan 0.000 0.542 450 D N 0.416 120.777 120.400 -0.066 0.000 2.221 450 D HA -0.195 4.444 4.640 -0.001 0.000 0.204 450 D C 2.066 178.371 176.300 0.010 0.000 0.982 450 D CA 1.544 55.539 54.000 -0.008 0.000 0.857 450 D CB 0.030 40.838 40.800 0.014 0.000 0.934 450 D HN 0.633 nan 8.370 nan 0.000 0.475 451 H N -0.402 118.715 119.070 0.078 0.000 2.395 451 H HA 0.030 4.586 4.556 -0.001 0.000 0.299 451 H C 1.350 176.725 175.328 0.078 0.000 1.070 451 H CA 0.061 56.144 56.048 0.059 0.000 1.356 451 H CB -0.589 29.195 29.762 0.036 0.000 1.401 451 H HN 0.098 nan 8.280 nan 0.000 0.524 452 L N 2.871 123.879 121.223 -0.359 0.000 2.503 452 L HA 0.055 4.394 4.340 -0.001 0.000 0.287 452 L C -1.980 174.900 176.870 0.018 0.000 1.252 452 L CA -1.173 53.577 54.840 -0.150 0.000 0.835 452 L CB 0.256 42.169 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 -0.129 177.239 177.300 0.113 0.000 1.283 453 P CA -0.706 62.417 63.100 0.039 0.000 0.869 453 P CB 1.153 32.849 31.700 -0.008 0.000 1.100 454 E N 0.579 120.889 120.200 0.183 0.000 2.037 454 E HA -0.281 4.068 4.350 -0.001 0.000 0.214 454 E C 1.619 178.373 176.600 0.256 0.000 1.041 454 E CA 1.450 58.011 56.400 0.267 0.000 0.872 454 E CB -0.433 29.337 29.700 0.116 0.000 0.785 454 E HN 0.503 nan 8.360 nan 0.000 0.476 455 Q N -0.409 119.451 119.800 0.101 0.000 2.528 455 Q HA -0.159 4.180 4.340 -0.001 0.000 0.217 455 Q C 1.812 177.825 176.000 0.022 0.000 0.988 455 Q CA 0.981 56.829 55.803 0.076 0.000 0.900 455 Q CB -0.159 28.591 28.738 0.020 0.000 0.947 455 Q HN 0.319 nan 8.270 nan 0.000 0.502 456 A N -0.825 121.908 122.820 -0.144 0.000 2.014 456 A HA -0.073 4.246 4.320 -0.001 0.000 0.218 456 A C 1.387 178.721 177.584 -0.417 0.000 1.163 456 A CA 0.654 52.460 52.037 -0.386 0.000 0.652 456 A CB -0.350 18.215 19.000 -0.725 0.000 0.808 456 A HN 0.304 nan 8.150 nan 0.000 0.449 457 F N -2.584 117.353 119.950 -0.023 0.000 2.754 457 F HA 0.204 4.730 4.527 -0.001 0.000 0.297 457 F C 0.766 176.649 175.800 0.137 0.000 1.122 457 F CA -0.558 57.443 58.000 0.001 0.000 1.400 457 F CB -0.400 38.580 39.000 -0.034 0.000 1.117 457 F HN 0.240 nan 8.300 nan 0.000 0.587 458 Y N 2.439 122.841 120.300 0.170 0.000 2.544 458 Y HA 0.179 4.728 4.550 -0.001 0.000 0.330 458 Y C 0.710 176.657 175.900 0.078 0.000 1.136 458 Y CA -1.211 56.961 58.100 0.120 0.000 1.417 458 Y CB 0.137 38.642 38.460 0.075 0.000 1.229 458 Y HN 0.035 nan 8.280 nan 0.000 0.532 459 M N 6.220 125.567 119.600 -0.420 0.000 3.241 459 M HA -0.166 4.313 4.480 -0.001 0.000 0.169 459 M C -1.074 175.154 176.300 -0.120 0.000 1.333 459 M CA 1.078 56.147 55.300 -0.385 0.000 0.838 459 M CB -2.587 29.613 32.600 -0.668 0.000 1.258 459 M HN 0.492 nan 8.290 nan 0.000 0.656 460 V N -1.824 118.090 119.914 0.000 0.000 3.165 460 V HA 1.091 5.210 4.120 -0.001 0.000 0.309 460 V C 0.471 176.622 176.094 0.096 0.000 1.267 460 V CA -0.089 62.246 62.300 0.057 0.000 1.067 460 V CB 1.684 33.553 31.823 0.077 0.000 1.082 460 V HN 0.506 nan 8.190 nan 0.000 0.451 461 G N -0.230 108.631 108.800 0.103 0.000 2.992 461 G HA2 0.544 4.503 3.960 -0.001 0.000 0.201 461 G HA3 0.544 4.503 3.960 -0.001 0.000 0.201 461 G C -2.567 172.447 174.900 0.189 0.000 2.057 461 G CA -0.499 44.662 45.100 0.103 0.000 0.800 461 G HN 0.692 nan 8.290 nan 0.000 0.700 462 P HA 0.245 nan 4.420 nan 0.000 0.275 462 P C 0.773 178.163 177.300 0.150 0.000 1.228 462 P CA -0.594 62.617 63.100 0.184 0.000 0.786 462 P CB 1.432 33.187 31.700 0.093 0.000 0.927 463 I N 1.934 122.570 120.570 0.109 0.000 2.290 463 I HA -0.350 3.819 4.170 -0.001 0.000 0.253 463 I C 1.640 177.597 176.117 -0.267 0.000 1.112 463 I CA 1.947 63.078 61.300 -0.282 0.000 1.377 463 I CB -0.264 37.515 38.000 -0.368 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 -0.115 0.000 2.130 464 E HA -0.260 4.089 4.350 -0.001 0.000 0.196 464 E C 2.038 178.566 176.600 -0.120 0.000 0.998 464 E CA 1.758 58.099 56.400 -0.099 0.000 0.806 464 E CB -0.267 29.413 29.700 -0.033 0.000 0.738 464 E HN 0.633 nan 8.360 nan 0.000 0.459 465 E N -0.036 120.109 120.200 -0.091 0.000 2.208 465 E HA -0.060 4.289 4.350 -0.001 0.000 0.193 465 E C 1.983 178.484 176.600 -0.164 0.000 0.988 465 E CA 0.702 57.053 56.400 -0.083 0.000 0.828 465 E CB -0.065 29.624 29.700 -0.018 0.000 0.763 465 E HN 0.279 nan 8.360 nan 0.000 0.478 466 A N 1.274 123.930 122.820 -0.272 0.000 1.969 466 A HA -0.102 4.217 4.320 -0.001 0.000 0.218 466 A C 2.480 179.755 177.584 -0.515 0.000 1.169 466 A CA 0.914 52.661 52.037 -0.484 0.000 0.635 466 A CB -0.395 18.188 19.000 -0.694 0.000 0.810 466 A HN 0.104 nan 8.150 nan 0.000 0.445 467 V N -0.316 119.363 119.914 -0.392 0.000 2.283 467 V HA -0.151 3.968 4.120 -0.001 0.000 0.243 467 V C 2.991 178.985 176.094 -0.167 0.000 1.039 467 V CA 1.747 63.886 62.300 -0.268 0.000 1.016 467 V CB -1.443 30.274 31.823 -0.176 0.000 0.650 467 V HN 0.541 nan 8.190 nan 0.000 0.449 468 A N -0.301 122.439 122.820 -0.134 0.000 1.933 468 A HA -0.233 4.086 4.320 -0.001 0.000 0.218 468 A C 2.358 179.888 177.584 -0.091 0.000 1.175 468 A CA 2.063 54.048 52.037 -0.087 0.000 0.628 468 A CB -0.512 18.450 19.000 -0.063 0.000 0.814 468 A HN 0.485 nan 8.150 nan 0.000 0.444 469 K N -0.401 119.926 120.400 -0.121 0.000 2.147 469 K HA -0.085 4.234 4.320 -0.001 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 4.116 4.320 -0.001 0.000 0.217 470 A C 1.609 179.149 177.584 -0.074 0.000 1.181 470 A CA 2.019 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 -0.188 120.174 120.400 -0.063 0.000 2.092 471 D HA -0.122 4.518 4.640 -0.001 0.000 0.193 471 D C 1.837 178.119 176.300 -0.030 0.000 0.994 471 D CA 1.521 55.499 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 -0.228 120.152 120.400 -0.033 0.000 2.442 472 K HA 0.076 4.395 4.320 -0.001 0.000 0.198 472 K C 0.972 177.561 176.600 -0.020 0.000 1.042 472 K CA 0.358 56.632 56.287 -0.022 0.000 0.958 472 K CB 0.263 32.752 32.500 -0.018 0.000 0.766 472 K HN 0.170 nan 8.250 nan 0.000 0.474 473 L N 0.732 121.937 121.223 -0.029 0.000 2.928 473 L HA 0.304 4.643 4.340 -0.001 0.000 0.246 473 L C 0.153 177.011 176.870 -0.020 0.000 1.239 473 L CA -0.512 54.313 54.840 -0.024 0.000 1.035 473 L CB -0.892 41.147 42.059 -0.034 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 4.319 4.320 -0.001 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