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 1bmf_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 1.871 116.541 114.554 0.194 0.000 2.809 10 T HA 0.723 5.073 4.350 0.000 0.000 0.296 10 T C 0.644 175.261 174.700 -0.139 0.000 1.015 10 T CA -0.570 61.566 62.100 0.060 0.000 0.954 10 T CB 1.311 70.188 68.868 0.015 0.000 0.950 10 T HN 1.066 nan 8.240 nan 0.000 0.450 11 G N 2.251 110.743 108.800 -0.514 0.000 2.521 11 G HA2 0.722 4.682 3.960 0.000 0.000 0.323 11 G HA3 0.722 4.682 3.960 0.000 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 -0.996 0.000 0.979 11 G HN 0.565 nan 8.290 nan 0.000 0.490 12 R N -1.118 119.140 120.500 -0.403 0.000 2.828 12 R HA 0.470 4.810 4.340 0.000 0.000 0.264 12 R C -0.424 175.760 176.300 -0.194 0.000 1.022 12 R CA -0.845 55.121 56.100 -0.222 0.000 1.021 12 R CB 2.087 32.296 30.300 -0.150 0.000 1.163 12 R HN 0.325 nan 8.270 nan 0.000 0.494 13 I N 2.537 123.035 120.570 -0.120 0.000 2.371 13 I HA 0.026 4.196 4.170 0.000 0.000 0.290 13 I C 1.394 177.472 176.117 -0.065 0.000 1.028 13 I CA -0.094 61.156 61.300 -0.083 0.000 1.345 13 I CB 1.567 39.535 38.000 -0.055 0.000 1.407 13 I HN 0.554 nan 8.210 nan 0.000 0.501 14 V N 3.141 123.023 119.914 -0.053 0.000 3.263 14 V HA 0.509 4.629 4.120 0.000 0.000 0.248 14 V C 0.658 176.737 176.094 -0.025 0.000 1.145 14 V CA 0.357 62.634 62.300 -0.038 0.000 1.107 14 V CB 0.052 31.855 31.823 -0.033 0.000 0.797 14 V HN 0.722 nan 8.190 nan 0.000 0.467 15 A N -0.487 122.321 122.820 -0.020 0.000 2.589 15 A HA 0.795 5.115 4.320 0.000 0.000 0.296 15 A C -1.335 176.244 177.584 -0.009 0.000 1.062 15 A CA -0.380 51.650 52.037 -0.012 0.000 0.686 15 A CB 2.182 21.177 19.000 -0.008 0.000 1.282 15 A HN 0.460 nan 8.150 nan 0.000 0.404 16 V N 2.122 122.032 119.914 -0.008 0.000 2.488 16 V HA 0.464 4.584 4.120 0.000 0.000 0.293 16 V C -0.898 175.193 176.094 -0.003 0.000 1.027 16 V CA 0.042 62.339 62.300 -0.005 0.000 0.862 16 V CB 1.245 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 4.932 125.501 120.570 -0.001 0.000 2.595 17 I HA 0.633 4.803 4.170 0.000 0.000 0.275 17 I C 0.972 177.089 176.117 -0.001 0.000 1.092 17 I CA 0.201 61.500 61.300 -0.002 0.000 1.145 17 I CB 1.144 39.143 38.000 -0.001 0.000 1.276 17 I HN 0.865 nan 8.210 nan 0.000 0.497 18 G N 4.390 113.189 108.800 -0.002 0.000 2.531 18 G HA2 -0.277 3.683 3.960 0.000 0.000 0.274 18 G HA3 -0.277 3.683 3.960 0.000 0.000 0.274 18 G C 0.517 175.417 174.900 -0.000 0.000 1.159 18 G CA 0.127 45.226 45.100 -0.002 0.000 0.969 18 G HN 0.834 nan 8.290 nan 0.000 0.554 19 A N -0.592 122.228 122.820 0.000 0.000 2.734 19 A HA 0.627 4.947 4.320 0.000 0.000 0.279 19 A C 0.203 177.790 177.584 0.006 0.000 1.386 19 A CA 0.908 52.947 52.037 0.003 0.000 0.987 19 A CB -0.113 18.888 19.000 0.002 0.000 1.041 19 A HN 1.571 nan 8.150 nan 0.000 0.569 20 V N 0.848 120.766 119.914 0.006 0.000 2.447 20 V HA 0.280 4.400 4.120 0.000 0.000 0.292 20 V C -0.665 175.435 176.094 0.010 0.000 1.021 20 V CA -0.491 61.814 62.300 0.010 0.000 0.850 20 V CB 1.689 33.517 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 4.661 4.120 0.000 0.000 0.290 21 V C -0.526 175.580 176.094 0.019 0.000 1.030 21 V CA -0.662 61.645 62.300 0.013 0.000 0.881 21 V CB 1.943 33.773 31.823 0.012 0.000 0.983 21 V HN 0.739 nan 8.190 nan 0.000 0.445 22 D N 2.996 123.402 120.400 0.010 0.000 2.193 22 D HA 0.618 5.258 4.640 0.000 0.000 0.244 22 D C -0.628 175.671 176.300 -0.001 0.000 1.064 22 D CA -0.063 53.946 54.000 0.015 0.000 0.845 22 D CB 2.191 42.997 40.800 0.009 0.000 1.148 22 D HN 0.290 nan 8.370 nan 0.000 0.464 23 V N 2.293 122.217 119.914 0.017 0.000 2.588 23 V HA 0.335 4.455 4.120 0.000 0.000 0.304 23 V C -0.251 175.821 176.094 -0.037 0.000 1.042 23 V CA -0.890 61.382 62.300 -0.046 0.000 0.877 23 V CB 1.923 33.732 31.823 -0.023 0.000 0.996 23 V HN 0.406 nan 8.190 nan 0.000 0.425 24 Q N 3.291 123.002 119.800 -0.148 0.000 2.307 24 Q HA 0.586 4.926 4.340 0.000 0.000 0.262 24 Q C -1.827 174.033 176.000 -0.233 0.000 0.961 24 Q CA -0.477 55.275 55.803 -0.085 0.000 0.882 24 Q CB 1.273 29.973 28.738 -0.063 0.000 1.264 24 Q HN 0.621 nan 8.270 nan 0.000 0.446 25 F N 2.462 122.384 119.950 -0.046 0.000 2.421 25 F HA 0.246 4.773 4.527 0.000 0.000 0.337 25 F C 0.969 176.750 175.800 -0.031 0.000 1.105 25 F CA -0.383 57.595 58.000 -0.037 0.000 1.049 25 F CB 1.486 40.459 39.000 -0.046 0.000 1.139 25 F HN 0.647 nan 8.300 nan 0.000 0.479 26 D N 1.480 121.950 120.400 0.118 0.000 2.146 26 D HA -0.027 4.613 4.640 0.000 0.000 0.209 26 D C -0.186 176.163 176.300 0.081 0.000 0.973 26 D CA 1.209 55.249 54.000 0.067 0.000 0.860 26 D CB 0.251 41.068 40.800 0.028 0.000 1.015 26 D HN 0.517 nan 8.370 nan 0.000 0.465 27 E N -0.441 119.819 120.200 0.100 0.000 2.187 27 E HA 0.522 4.872 4.350 0.000 0.000 0.268 27 E C -0.327 176.324 176.600 0.084 0.000 0.896 27 E CA -0.556 55.887 56.400 0.072 0.000 0.766 27 E CB 2.138 31.868 29.700 0.051 0.000 1.142 27 E HN 0.188 nan 8.360 nan 0.000 0.408 28 G N 2.300 111.119 108.800 0.032 0.000 3.273 28 G HA2 -0.196 3.764 3.960 0.000 0.000 0.325 28 G HA3 -0.196 3.764 3.960 0.000 0.000 0.325 28 G C -1.064 173.740 174.900 -0.161 0.000 0.960 28 G CA -0.722 44.360 45.100 -0.029 0.000 0.808 28 G HN 0.323 nan 8.290 nan 0.000 0.387 29 L N 5.965 127.058 121.223 -0.216 0.000 2.264 29 L HA 0.619 4.959 4.340 0.000 0.000 0.289 29 L C -1.386 175.260 176.870 -0.374 0.000 1.044 29 L CA -2.154 52.432 54.840 -0.424 0.000 0.807 29 L CB 0.966 42.862 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 -2.654 174.661 177.300 0.025 0.000 1.193 30 P CA -0.952 61.988 63.100 -0.267 0.000 0.765 30 P CB -0.255 31.267 31.700 -0.296 0.000 0.823 31 P HA 0.144 nan 4.420 nan 0.000 0.273 31 P C 0.269 177.575 177.300 0.010 0.000 1.250 31 P CA -0.178 62.931 63.100 0.016 0.000 0.793 31 P CB 0.661 32.335 31.700 -0.042 0.000 1.011 32 I N 1.401 121.893 120.570 -0.131 0.000 2.618 32 I HA -0.044 4.126 4.170 0.000 0.000 0.284 32 I C 1.487 177.557 176.117 -0.078 0.000 1.146 32 I CA 0.672 61.915 61.300 -0.095 0.000 1.425 32 I CB -0.293 37.602 38.000 -0.175 0.000 1.383 32 I HN 0.397 nan 8.210 nan 0.000 0.562 33 L N 2.328 123.518 121.223 -0.056 0.000 2.583 33 L HA -0.213 4.127 4.340 0.000 0.000 0.464 33 L C 0.276 177.175 176.870 0.048 0.000 0.736 33 L CA -0.073 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 0.635 nan 8.230 nan 0.000 0.629 34 N N 1.096 119.817 118.700 0.036 0.000 2.381 34 N HA 0.459 5.199 4.740 0.000 0.000 0.241 34 N C 0.204 175.757 175.510 0.072 0.000 1.279 34 N CA 1.003 54.084 53.050 0.052 0.000 0.896 34 N CB 0.713 39.214 38.487 0.024 0.000 1.118 34 N HN 0.315 nan 8.380 nan 0.000 0.438 35 A N 1.852 124.716 122.820 0.072 0.000 2.292 35 A HA 0.602 4.922 4.320 0.000 0.000 0.319 35 A C -0.561 177.068 177.584 0.076 0.000 1.206 35 A CA -0.630 51.451 52.037 0.072 0.000 0.835 35 A CB 0.223 19.259 19.000 0.060 0.000 1.164 35 A HN 0.566 nan 8.150 nan 0.000 0.505 36 L N 1.920 123.195 121.223 0.088 0.000 2.334 36 L HA 0.547 4.887 4.340 0.000 0.000 0.273 36 L C -0.235 176.682 176.870 0.078 0.000 1.013 36 L CA -0.827 54.078 54.840 0.109 0.000 0.816 36 L CB 1.656 43.811 42.059 0.160 0.000 1.278 36 L HN 0.623 nan 8.230 nan 0.000 0.431 37 E N 2.054 122.296 120.200 0.071 0.000 2.166 37 E HA 0.361 4.711 4.350 0.000 0.000 0.275 37 E C -0.874 175.748 176.600 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 32.640 29.700 0.042 0.000 1.115 37 E HN 0.201 nan 8.360 nan 0.000 0.399 38 V N 3.604 123.533 119.914 0.024 0.000 2.530 38 V HA 0.037 4.157 4.120 0.000 0.000 0.282 38 V C 0.430 176.528 176.094 0.006 0.000 1.048 38 V CA -0.607 61.699 62.300 0.010 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 2.642 122.441 119.800 -0.001 0.000 2.261 39 Q HA 0.459 4.799 4.340 0.000 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 1.185 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 3.723 3.960 0.000 0.000 0.248 40 G HA3 -0.237 3.723 3.960 0.000 0.000 0.248 40 G C -0.273 174.627 174.900 -0.001 0.000 1.108 40 G CA -0.301 44.798 45.100 -0.001 0.000 0.881 40 G HN 0.448 nan 8.290 nan 0.000 0.494 41 R N -0.382 120.119 120.500 0.002 0.000 2.538 41 R HA 0.322 4.662 4.340 0.000 0.000 0.292 41 R C 1.084 177.387 176.300 0.004 0.000 1.008 41 R CA -0.943 55.158 56.100 0.002 0.000 0.896 41 R CB 1.139 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 -0.235 4.115 4.350 0.000 0.000 0.219 42 E C 0.752 177.355 176.600 0.005 0.000 1.070 42 E CA 2.357 58.759 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 -3.038 111.519 114.554 0.004 0.000 2.888 43 T HA 0.523 4.873 4.350 0.000 0.000 0.288 43 T C -0.047 174.657 174.700 0.005 0.000 1.063 43 T CA -0.947 61.155 62.100 0.005 0.000 1.010 43 T CB 2.199 71.069 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 0.427 4.767 4.340 0.000 0.000 0.309 44 R C -1.148 175.156 176.300 0.007 0.000 1.059 44 R CA -0.521 55.583 56.100 0.006 0.000 0.981 44 R CB -0.137 30.165 30.300 0.003 0.000 0.972 44 R HN 0.521 nan 8.270 nan 0.000 0.437 45 L N 6.084 127.313 121.223 0.010 0.000 2.318 45 L HA 0.336 4.676 4.340 0.000 0.000 0.277 45 L C -1.260 175.622 176.870 0.019 0.000 1.008 45 L CA -0.471 54.376 54.840 0.013 0.000 0.846 45 L CB 1.813 43.879 42.059 0.011 0.000 1.220 45 L HN 0.324 nan 8.230 nan 0.000 0.423 46 V N 6.360 126.286 119.914 0.020 0.000 2.394 46 V HA 0.399 4.519 4.120 0.000 0.000 0.282 46 V C 0.061 176.176 176.094 0.036 0.000 1.031 46 V CA -0.550 61.767 62.300 0.029 0.000 0.881 46 V CB 1.569 33.407 31.823 0.023 0.000 0.982 46 V HN 0.518 nan 8.190 nan 0.000 0.451 47 L N 4.757 126.008 121.223 0.047 0.000 2.262 47 L HA 0.491 4.831 4.340 0.000 0.000 0.288 47 L C 0.408 177.318 176.870 0.066 0.000 1.035 47 L CA -0.172 54.700 54.840 0.053 0.000 0.820 47 L CB 1.293 43.389 42.059 0.060 0.000 1.204 47 L HN 0.711 nan 8.230 nan 0.000 0.424 48 E N 2.785 123.025 120.200 0.066 0.000 2.331 48 E HA 0.286 4.636 4.350 0.000 0.000 0.272 48 E C -0.865 175.778 176.600 0.070 0.000 1.036 48 E CA -0.678 55.770 56.400 0.079 0.000 0.864 48 E CB 1.598 31.359 29.700 0.102 0.000 1.035 48 E HN 0.275 nan 8.360 nan 0.000 0.408 49 V N 3.528 123.483 119.914 0.069 0.000 2.686 49 V HA 0.278 4.398 4.120 0.000 0.000 0.295 49 V C 0.746 176.864 176.094 0.040 0.000 1.055 49 V CA 0.792 63.134 62.300 0.070 0.000 1.050 49 V CB 1.124 32.998 31.823 0.085 0.000 0.984 49 V HN 0.910 nan 8.190 nan 0.000 0.482 50 A N 3.824 126.674 122.820 0.051 0.000 2.140 50 A HA 0.415 4.735 4.320 0.000 0.000 0.199 50 A C 0.485 178.086 177.584 0.028 0.000 1.416 50 A CA 0.072 52.120 52.037 0.019 0.000 1.018 50 A CB 0.514 19.524 19.000 0.016 0.000 1.117 50 A HN 0.770 nan 8.150 nan 0.000 0.480 51 Q N -1.129 118.724 119.800 0.088 0.000 2.522 51 Q HA 0.337 4.677 4.340 0.000 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 1.478 30.255 28.738 0.066 0.000 1.457 51 Q HN 0.543 nan 8.270 nan 0.000 0.394 52 H N 1.989 121.057 119.070 -0.003 0.000 2.680 52 H HA 0.235 4.791 4.556 0.000 0.000 0.260 52 H C 0.634 175.966 175.328 0.008 0.000 1.328 52 H CA -0.166 55.883 56.048 0.002 0.000 1.269 52 H CB 0.505 30.262 29.762 -0.009 0.000 1.446 52 H HN 0.436 nan 8.280 nan 0.000 0.527 53 L N 2.051 123.319 121.223 0.076 0.000 2.549 53 L HA -0.021 4.319 4.340 0.000 0.000 0.230 53 L C 1.227 178.117 176.870 0.033 0.000 1.162 53 L CA 0.687 55.555 54.840 0.046 0.000 0.834 53 L CB -0.509 41.567 42.059 0.029 0.000 0.947 53 L HN 0.738 nan 8.230 nan 0.000 0.452 54 G N 0.380 109.197 108.800 0.027 0.000 2.705 54 G HA2 -0.187 3.773 3.960 0.000 0.000 0.686 54 G HA3 -0.187 3.773 3.960 0.000 0.000 0.686 54 G C 0.055 174.957 174.900 0.005 0.000 1.285 54 G CA -0.270 44.841 45.100 0.019 0.000 0.800 54 G HN 0.414 nan 8.290 nan 0.000 0.611 55 E N -0.559 119.643 120.200 0.003 0.000 2.645 55 E HA -0.172 4.178 4.350 0.000 0.000 0.282 55 E C 1.011 177.612 176.600 0.002 0.000 1.013 55 E CA 1.055 57.457 56.400 0.004 0.000 0.842 55 E CB -1.616 28.086 29.700 0.004 0.000 1.396 55 E HN 2.109 nan 8.360 nan 0.000 0.404 56 S N -1.990 113.706 115.700 -0.007 0.000 3.561 56 S HA -0.209 4.261 4.470 0.000 0.000 0.318 56 S C 0.091 174.708 174.600 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 1.399 115.948 114.554 -0.009 0.000 2.863 57 T HA 0.643 4.993 4.350 0.000 0.000 0.285 57 T C 0.236 174.927 174.700 -0.014 0.000 1.009 57 T CA -0.360 61.752 62.100 0.020 0.000 0.989 57 T CB 1.920 70.796 68.868 0.012 0.000 1.004 57 T HN 0.473 nan 8.240 nan 0.000 0.455 58 V N 1.187 121.126 119.914 0.043 0.000 2.732 58 V HA 0.771 4.891 4.120 0.000 0.000 0.310 58 V C -0.218 175.917 176.094 0.069 0.000 1.053 58 V CA -1.357 60.966 62.300 0.037 0.000 0.957 58 V CB 1.590 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 2.128 122.673 120.500 0.075 0.000 2.310 59 R HA 0.684 5.024 4.340 0.000 0.000 0.324 59 R C -0.160 176.178 176.300 0.063 0.000 0.955 59 R CA 0.212 56.347 56.100 0.058 0.000 0.830 59 R CB 1.328 31.655 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 4.934 4.350 0.000 0.000 0.289 60 T C 0.175 174.898 174.700 0.039 0.000 1.054 60 T CA -1.030 61.104 62.100 0.055 0.000 1.015 60 T CB 1.185 70.094 68.868 0.068 0.000 1.167 60 T HN 0.562 nan 8.240 nan 0.000 0.526 61 I N -0.390 120.203 120.570 0.038 0.000 2.389 61 I HA 0.799 4.969 4.170 0.000 0.000 0.288 61 I C 0.227 176.362 176.117 0.031 0.000 0.999 61 I CA -1.466 59.851 61.300 0.028 0.000 1.129 61 I CB 1.196 39.210 38.000 0.023 0.000 1.288 61 I HN 0.884 nan 8.210 nan 0.000 0.444 62 A N 7.109 129.943 122.820 0.023 0.000 2.462 62 A HA 0.389 4.709 4.320 0.000 0.000 0.243 62 A C 0.857 178.454 177.584 0.021 0.000 1.076 62 A CA -0.235 51.815 52.037 0.022 0.000 0.773 62 A CB 0.371 19.380 19.000 0.015 0.000 1.010 62 A HN 0.886 nan 8.150 nan 0.000 0.493 63 M N 0.742 120.355 119.600 0.022 0.000 2.431 63 M HA 0.193 4.673 4.480 0.000 0.000 0.237 63 M C -0.075 176.233 176.300 0.014 0.000 1.130 63 M CA 0.582 55.893 55.300 0.019 0.000 1.002 63 M CB -1.269 31.343 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 0.438 5.078 4.640 0.000 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 1.021 41.826 40.800 0.008 0.000 1.331 64 D HN 0.122 nan 8.370 nan 0.000 0.432 65 G N -0.213 108.590 108.800 0.005 0.000 2.115 65 G HA2 0.214 4.174 3.960 0.000 0.000 0.244 65 G HA3 0.214 4.174 3.960 0.000 0.000 0.244 65 G C 0.964 175.866 174.900 0.004 0.000 1.105 65 G CA 0.742 45.845 45.100 0.004 0.000 0.893 65 G HN 0.528 nan 8.290 nan 0.000 0.443 66 T N -0.397 114.159 114.554 0.003 0.000 3.144 66 T HA 0.157 4.507 4.350 0.000 0.000 0.249 66 T C 0.580 175.280 174.700 -0.000 0.000 1.089 66 T CA -0.061 62.040 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 1.345 121.545 120.200 -0.000 0.000 2.558 67 E HA 0.384 4.734 4.350 0.000 0.000 0.255 67 E C 1.435 178.034 176.600 -0.002 0.000 0.968 67 E CA 0.602 57.002 56.400 -0.001 0.000 0.939 67 E CB -0.420 29.280 29.700 -0.000 0.000 0.921 67 E HN 0.343 nan 8.360 nan 0.000 0.477 68 G N 2.526 111.324 108.800 -0.003 0.000 2.268 68 G HA2 -0.317 3.643 3.960 0.000 0.000 0.240 68 G HA3 -0.317 3.643 3.960 0.000 0.000 0.240 68 G C 0.328 175.225 174.900 -0.005 0.000 1.010 68 G CA -0.045 45.053 45.100 -0.004 0.000 0.618 68 G HN 0.428 nan 8.290 nan 0.000 0.516 69 L N 0.635 121.854 121.223 -0.006 0.000 2.503 69 L HA 0.360 4.700 4.340 0.000 0.000 0.287 69 L C 0.655 177.518 176.870 -0.011 0.000 1.252 69 L CA 0.232 55.067 54.840 -0.009 0.000 0.835 69 L CB 0.540 42.594 42.059 -0.009 0.000 1.099 69 L HN 0.060 nan 8.230 nan 0.000 0.516 70 V N 2.077 121.982 119.914 -0.015 0.000 2.638 70 V HA 0.345 4.465 4.120 0.000 0.000 0.306 70 V C 0.033 176.113 176.094 -0.023 0.000 1.052 70 V CA -0.886 61.404 62.300 -0.017 0.000 0.885 70 V CB 1.825 33.639 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 0.391 4.731 4.340 0.000 0.000 0.282 71 R C 1.358 177.638 176.300 -0.032 0.000 1.009 71 R CA 1.248 57.332 56.100 -0.027 0.000 1.063 71 R CB 0.171 30.458 30.300 -0.023 0.000 0.945 71 R HN 1.215 nan 8.270 nan 0.000 0.414 72 G N 1.762 110.536 108.800 -0.044 0.000 2.254 72 G HA2 -0.331 3.629 3.960 0.000 0.000 0.225 72 G HA3 -0.331 3.629 3.960 0.000 0.000 0.225 72 G C 0.266 175.134 174.900 -0.053 0.000 1.003 72 G CA 0.128 45.199 45.100 -0.048 0.000 0.622 72 G HN 0.607 nan 8.290 nan 0.000 0.507 73 Q N 1.308 121.081 119.800 -0.046 0.000 2.394 73 Q HA 0.344 4.684 4.340 0.000 0.000 0.303 73 Q C 0.352 176.315 176.000 -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 1.485 121.852 120.400 -0.054 0.000 2.143 74 K HA 0.456 4.776 4.320 0.000 0.000 0.272 74 K C -1.326 175.236 176.600 -0.063 0.000 1.001 74 K CA -0.627 55.620 56.287 -0.068 0.000 0.915 74 K CB 1.459 33.932 32.500 -0.045 0.000 1.047 74 K HN 0.341 nan 8.250 nan 0.000 0.458 75 V N 4.140 123.997 119.914 -0.096 0.000 2.577 75 V HA 0.315 4.435 4.120 0.000 0.000 0.303 75 V C -0.671 175.420 176.094 -0.006 0.000 1.042 75 V CA -0.879 61.387 62.300 -0.057 0.000 0.872 75 V CB 1.610 33.385 31.823 -0.082 0.000 0.998 75 V HN 0.628 nan 8.190 nan 0.000 0.423 76 L N 3.469 124.730 121.223 0.063 0.000 2.276 76 L HA 0.439 4.779 4.340 0.000 0.000 0.286 76 L C -0.054 176.913 176.870 0.162 0.000 1.024 76 L CA -0.516 54.392 54.840 0.112 0.000 0.826 76 L CB 1.429 43.530 42.059 0.069 0.000 1.211 76 L HN 0.688 nan 8.230 nan 0.000 0.422 77 D N 1.966 122.513 120.400 0.245 0.000 2.389 77 D HA -0.082 4.558 4.640 0.000 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 1.120 41.963 40.800 0.072 0.000 1.116 77 D HN 0.514 nan 8.370 nan 0.000 0.502 78 S N 2.748 118.494 115.700 0.077 0.000 2.660 78 S HA 0.090 4.560 4.470 0.000 0.000 0.228 78 S C 1.689 176.318 174.600 0.047 0.000 0.966 78 S CA 0.201 58.437 58.200 0.061 0.000 0.940 78 S CB -0.670 62.566 63.200 0.061 0.000 0.773 78 S HN 0.883 nan 8.310 nan 0.000 0.535 79 G N 0.207 109.026 108.800 0.033 0.000 2.296 79 G HA2 0.052 4.012 3.960 0.000 0.000 0.282 79 G HA3 0.052 4.012 3.960 0.000 0.000 0.282 79 G C 0.211 175.125 174.900 0.023 0.000 1.014 79 G CA 0.182 45.291 45.100 0.015 0.000 0.812 79 G HN 1.749 nan 8.290 nan 0.000 0.508 80 A N -1.546 121.295 122.820 0.035 0.000 2.583 80 A HA 0.817 5.137 4.320 0.000 0.000 0.292 80 A C -2.867 174.752 177.584 0.060 0.000 1.045 80 A CA -0.445 51.619 52.037 0.045 0.000 0.672 80 A CB 1.023 20.054 19.000 0.050 0.000 1.283 80 A HN 0.181 nan 8.150 nan 0.000 0.419 81 P HA 0.343 nan 4.420 nan 0.000 0.272 81 P C -0.152 177.187 177.300 0.066 0.000 1.254 81 P CA -0.130 63.039 63.100 0.114 0.000 0.795 81 P CB 0.226 32.036 31.700 0.183 0.000 1.022 82 I N 0.887 121.485 120.570 0.047 0.000 2.742 82 I HA -0.081 4.089 4.170 0.000 0.000 0.287 82 I C 1.343 177.437 176.117 -0.037 0.000 1.186 82 I CA 0.959 62.253 61.300 -0.010 0.000 1.417 82 I CB -0.211 37.766 38.000 -0.038 0.000 1.377 82 I HN 0.098 nan 8.210 nan 0.000 0.556 83 R N 7.542 128.018 120.500 -0.040 0.000 2.711 83 R HA 0.786 5.126 4.340 0.000 0.000 0.284 83 R C -0.726 175.465 176.300 -0.183 0.000 0.968 83 R CA -0.928 55.141 56.100 -0.053 0.000 0.924 83 R CB 2.292 32.614 30.300 0.038 0.000 1.162 83 R HN 0.605 nan 8.270 nan 0.000 0.465 84 I N -1.746 118.689 120.570 -0.224 0.000 2.969 84 I HA 0.564 4.734 4.170 0.000 0.000 0.307 84 I C -2.734 173.118 176.117 -0.442 0.000 1.149 84 I CA -3.329 57.754 61.300 -0.361 0.000 1.008 84 I CB 2.604 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 -0.553 176.635 177.300 -0.186 0.000 1.209 85 P CA -0.017 62.886 63.100 -0.328 0.000 0.763 85 P CB 0.740 32.295 31.700 -0.241 0.000 0.816 86 V N 0.801 120.622 119.914 -0.156 0.000 2.960 86 V HA 1.023 5.143 4.120 0.000 0.000 0.315 86 V C 0.281 176.004 176.094 -0.617 0.000 1.087 86 V CA -0.244 61.856 62.300 -0.332 0.000 0.982 86 V CB 1.369 33.021 31.823 -0.286 0.000 1.039 86 V HN 0.928 nan 8.190 nan 0.000 0.437 87 G N 2.697 110.836 108.800 -1.102 0.000 2.343 87 G HA2 0.085 4.045 3.960 0.000 0.000 0.562 87 G HA3 0.085 4.045 3.960 0.000 0.000 0.562 87 G C -2.716 172.032 174.900 -0.253 0.000 1.269 87 G CA -0.034 44.332 45.100 -1.224 0.000 1.011 87 G HN 0.597 nan 8.290 nan 0.000 0.498 88 P HA 0.015 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 0.185 0.000 0.848 88 P CB 0.013 31.813 31.700 0.167 0.000 0.787 89 E N -0.324 119.875 120.200 -0.002 0.000 2.520 89 E HA -0.070 4.280 4.350 0.000 0.000 0.201 89 E C 1.020 177.601 176.600 -0.031 0.000 1.122 89 E CA 1.189 57.578 56.400 -0.018 0.000 0.896 89 E CB -1.224 28.470 29.700 -0.009 0.000 0.891 89 E HN 0.380 nan 8.360 nan 0.000 0.533 90 T N -1.804 112.735 114.554 -0.025 0.000 3.023 90 T HA 0.142 4.492 4.350 0.000 0.000 0.249 90 T C 1.125 175.805 174.700 -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 68.564 68.868 -0.025 0.000 0.946 90 T HN 0.046 nan 8.240 nan 0.000 0.480 91 L N 2.338 123.530 121.223 -0.050 0.000 2.578 91 L HA 0.366 4.706 4.340 0.000 0.000 0.279 91 L C 1.787 178.603 176.870 -0.090 0.000 1.227 91 L CA 1.092 55.854 54.840 -0.129 0.000 0.900 91 L CB -0.176 41.691 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 3.730 3.960 0.000 0.000 0.266 92 G HA3 -0.230 3.730 3.960 0.000 0.000 0.266 92 G C 0.467 175.355 174.900 -0.021 0.000 0.978 92 G CA -0.251 44.830 45.100 -0.032 0.000 0.632 92 G HN 0.471 nan 8.290 nan 0.000 0.537 93 R N -0.055 120.412 120.500 -0.056 0.000 2.596 93 R HA 0.742 5.082 4.340 0.000 0.000 0.267 93 R C 0.570 176.772 176.300 -0.163 0.000 1.026 93 R CA -0.887 55.163 56.100 -0.085 0.000 1.087 93 R CB 0.550 30.806 30.300 -0.074 0.000 1.132 93 R HN 0.359 nan 8.270 nan 0.000 0.531 94 I N 1.805 122.233 120.570 -0.236 0.000 2.404 94 I HA 0.450 4.620 4.170 0.000 0.000 0.293 94 I C 0.362 176.344 176.117 -0.226 0.000 0.992 94 I CA -0.468 60.622 61.300 -0.350 0.000 1.149 94 I CB 1.549 39.219 38.000 -0.549 0.000 1.315 94 I HN 0.222 nan 8.210 nan 0.000 0.446 95 M N 5.433 124.913 119.600 -0.199 0.000 2.518 95 M HA 0.421 4.901 4.480 0.000 0.000 0.300 95 M C -1.028 175.238 176.300 -0.057 0.000 1.175 95 M CA -0.526 54.706 55.300 -0.113 0.000 0.890 95 M CB 2.311 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 1.437 120.114 118.700 -0.039 0.000 2.229 96 N HA 0.099 4.839 4.740 0.000 0.000 0.242 96 N C 0.639 176.141 175.510 -0.015 0.000 1.327 96 N CA 0.162 53.206 53.050 -0.010 0.000 0.896 96 N CB 0.786 39.257 38.487 -0.027 0.000 1.129 96 N HN 0.556 nan 8.380 nan 0.000 0.490 97 V N 0.528 120.437 119.914 -0.007 0.000 2.591 97 V HA -0.075 4.045 4.120 0.000 0.000 0.249 97 V C 1.529 177.597 176.094 -0.043 0.000 1.053 97 V CA 1.397 63.689 62.300 -0.014 0.000 1.068 97 V CB -0.701 31.122 31.823 0.000 0.000 0.689 97 V HN 0.718 nan 8.190 nan 0.000 0.462 98 I N -0.949 119.592 120.570 -0.048 0.000 3.805 98 I HA 0.689 4.859 4.170 0.000 0.000 0.337 98 I C 1.067 177.118 176.117 -0.109 0.000 1.539 98 I CA 0.054 61.312 61.300 -0.069 0.000 1.176 98 I CB -0.315 37.658 38.000 -0.044 0.000 1.248 98 I HN 0.188 nan 8.210 nan 0.000 0.437 99 G N 1.428 110.159 108.800 -0.116 0.000 2.371 99 G HA2 -0.246 3.714 3.960 0.000 0.000 0.299 99 G HA3 -0.246 3.714 3.960 0.000 0.000 0.299 99 G C -0.242 174.574 174.900 -0.140 0.000 1.014 99 G CA 0.190 45.200 45.100 -0.150 0.000 1.097 99 G HN 0.722 nan 8.290 nan 0.000 0.512 100 E N 0.207 120.350 120.200 -0.094 0.000 2.235 100 E HA 0.483 4.833 4.350 0.000 0.000 0.265 100 E C -2.638 173.920 176.600 -0.070 0.000 0.940 100 E CA -2.310 54.045 56.400 -0.076 0.000 0.819 100 E CB 2.274 31.943 29.700 -0.052 0.000 1.206 100 E HN 0.162 nan 8.360 nan 0.000 0.409 101 P HA 0.178 nan 4.420 nan 0.000 0.286 101 P C -0.022 177.244 177.300 -0.057 0.000 1.269 101 P CA -0.079 62.981 63.100 -0.066 0.000 0.787 101 P CB 0.247 31.916 31.700 -0.052 0.000 0.920 102 I N -0.549 119.974 120.570 -0.078 0.000 3.817 102 I HA 0.340 4.510 4.170 0.000 0.000 0.325 102 I C -0.222 175.838 176.117 -0.095 0.000 1.550 102 I CA -0.269 60.994 61.300 -0.061 0.000 1.100 102 I CB 0.238 38.217 38.000 -0.034 0.000 1.216 102 I HN 0.023 nan 8.210 nan 0.000 0.481 103 D N -0.063 120.269 120.400 -0.112 0.000 2.469 103 D HA 0.032 4.672 4.640 0.000 0.000 0.213 103 D C 0.454 176.743 176.300 -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 0.358 nan 8.370 nan 0.000 0.507 104 E N 0.158 120.349 120.200 -0.016 0.000 2.637 104 E HA -0.254 4.096 4.350 0.000 0.000 0.265 104 E C 0.069 176.678 176.600 0.014 0.000 1.073 104 E CA 0.328 56.731 56.400 0.006 0.000 0.778 104 E CB -1.622 28.092 29.700 0.024 0.000 1.362 104 E HN 0.458 nan 8.360 nan 0.000 0.413 105 R N 0.302 120.805 120.500 0.005 0.000 2.702 105 R HA 0.286 4.626 4.340 0.000 0.000 0.314 105 R C 0.927 177.228 176.300 0.002 0.000 1.152 105 R CA 0.451 56.557 56.100 0.011 0.000 1.097 105 R CB 0.689 30.997 30.300 0.014 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 3.726 3.960 0.000 0.000 0.226 106 G HA3 -0.234 3.726 3.960 0.000 0.000 0.226 106 G C -2.490 172.406 174.900 -0.005 0.000 1.381 106 G CA -1.190 43.911 45.100 0.001 0.000 0.867 106 G HN 0.123 nan 8.290 nan 0.000 0.552 107 P HA 0.327 nan 4.420 nan 0.000 0.268 107 P C 0.299 177.597 177.300 -0.002 0.000 1.204 107 P CA 0.070 63.170 63.100 0.001 0.000 0.768 107 P CB 0.233 31.943 31.700 0.017 0.000 0.842 108 I N 2.780 123.341 120.570 -0.015 0.000 2.329 108 I HA 0.160 4.330 4.170 0.000 0.000 0.295 108 I C 0.817 176.945 176.117 0.019 0.000 1.109 108 I CA -0.083 61.205 61.300 -0.020 0.000 1.297 108 I CB -0.267 37.699 38.000 -0.056 0.000 1.433 108 I HN 0.091 nan 8.210 nan 0.000 0.509 109 K N 5.932 126.349 120.400 0.029 0.000 2.244 109 K HA 0.283 4.603 4.320 0.000 0.000 0.263 109 K C 0.140 176.774 176.600 0.056 0.000 1.103 109 K CA -0.317 56.005 56.287 0.058 0.000 0.966 109 K CB 0.852 33.375 32.500 0.038 0.000 1.429 109 K HN 0.675 nan 8.250 nan 0.000 0.434 110 T N -1.441 113.177 114.554 0.106 0.000 2.919 110 T HA 0.341 4.691 4.350 0.000 0.000 0.282 110 T C 0.886 175.627 174.700 0.068 0.000 1.020 110 T CA -0.923 61.218 62.100 0.068 0.000 0.994 110 T CB 1.573 70.472 68.868 0.051 0.000 1.180 110 T HN 0.281 nan 8.240 nan 0.000 0.566 111 K N -0.141 120.272 120.400 0.022 0.000 2.168 111 K HA 0.130 4.450 4.320 0.000 0.000 0.201 111 K C 0.322 176.887 176.600 -0.058 0.000 1.049 111 K CA 0.443 56.714 56.287 -0.026 0.000 0.974 111 K CB -0.021 32.477 32.500 -0.004 0.000 0.792 111 K HN 0.464 nan 8.250 nan 0.000 0.463 112 Q N 0.202 120.021 119.800 0.032 0.000 2.222 112 Q HA 0.357 4.697 4.340 0.000 0.000 0.252 112 Q C -0.932 175.281 176.000 0.355 0.000 0.926 112 Q CA -0.320 55.533 55.803 0.084 0.000 0.899 112 Q CB 0.893 29.692 28.738 0.102 0.000 1.250 112 Q HN -0.072 nan 8.270 nan 0.000 0.441 113 F N 0.467 120.396 119.950 -0.035 0.000 2.508 113 F HA 0.774 5.301 4.527 0.000 0.000 0.325 113 F C -0.325 175.458 175.800 -0.028 0.000 1.090 113 F CA -1.811 56.166 58.000 -0.039 0.000 0.945 113 F CB 1.725 40.710 39.000 -0.025 0.000 1.156 113 F HN 0.566 nan 8.300 nan 0.000 0.463 114 A N 2.028 124.905 122.820 0.095 0.000 2.357 114 A HA 0.767 5.087 4.320 0.000 0.000 0.295 114 A C -0.563 177.027 177.584 0.011 0.000 1.121 114 A CA -0.681 51.387 52.037 0.051 0.000 0.742 114 A CB 0.706 19.722 19.000 0.027 0.000 1.181 114 A HN 0.942 nan 8.150 nan 0.000 0.454 115 A N 2.311 125.148 122.820 0.027 0.000 2.540 115 A HA 0.388 4.708 4.320 0.000 0.000 0.239 115 A C 1.270 178.835 177.584 -0.031 0.000 1.061 115 A CA 0.318 52.360 52.037 0.008 0.000 0.758 115 A CB -0.322 18.701 19.000 0.038 0.000 0.991 115 A HN 1.655 nan 8.150 nan 0.000 0.502 116 I N -0.060 120.452 120.570 -0.097 0.000 2.439 116 I HA -0.036 4.134 4.170 0.000 0.000 0.251 116 I C 0.242 176.241 176.117 -0.197 0.000 1.139 116 I CA 0.689 61.884 61.300 -0.175 0.000 1.438 116 I CB -0.423 37.417 38.000 -0.268 0.000 1.085 116 I HN 0.552 nan 8.210 nan 0.000 0.427 117 H N 3.312 122.387 119.070 0.008 0.000 3.067 117 H HA 0.641 5.197 4.556 0.000 0.000 0.265 117 H C -0.214 175.119 175.328 0.007 0.000 1.234 117 H CA -0.027 56.026 56.048 0.009 0.000 1.452 117 H CB 0.509 30.276 29.762 0.010 0.000 1.527 117 H HN 0.441 nan 8.280 nan 0.000 0.486 118 A N 4.038 126.915 122.820 0.095 0.000 2.380 118 A HA 0.430 4.750 4.320 0.000 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 1.841 20.857 19.000 0.027 0.000 1.287 118 A HN 0.562 nan 8.150 nan 0.000 0.436 119 E N 0.316 120.539 120.200 0.038 0.000 2.385 119 E HA 0.543 4.893 4.350 0.000 0.000 0.254 119 E C 0.092 176.707 176.600 0.026 0.000 1.228 119 E CA -0.311 56.108 56.400 0.032 0.000 0.956 119 E CB 0.939 30.654 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 0.000 0.000 0.334 120 A C -2.329 175.271 177.584 0.027 0.000 1.139 120 A CA -1.751 50.300 52.037 0.023 0.000 0.830 120 A CB 0.158 19.173 19.000 0.025 0.000 1.234 120 A HN 0.277 nan 8.150 nan 0.000 0.483 121 P HA -0.018 nan 4.420 nan 0.000 0.238 121 P C -0.262 177.061 177.300 0.040 0.000 1.090 121 P CA 0.580 63.690 63.100 0.017 0.000 0.944 121 P CB -0.113 31.587 31.700 0.001 0.000 0.881 122 E N 1.768 121.997 120.200 0.049 0.000 2.598 122 E HA -0.170 4.180 4.350 0.000 0.000 0.273 122 E C 0.990 177.663 176.600 0.122 0.000 1.029 122 E CA 0.174 56.626 56.400 0.086 0.000 0.985 122 E CB 0.025 29.768 29.700 0.071 0.000 0.988 122 E HN 0.337 nan 8.360 nan 0.000 0.460 123 F N 2.447 122.395 119.950 -0.003 0.000 2.147 123 F HA -0.252 4.275 4.527 0.000 0.000 0.301 123 F C 1.937 177.734 175.800 -0.005 0.000 1.084 123 F CA 1.905 59.903 58.000 -0.003 0.000 1.268 123 F CB -0.197 38.801 39.000 -0.003 0.000 1.009 123 F HN 0.330 nan 8.300 nan 0.000 0.486 124 V N -2.302 117.653 119.914 0.068 0.000 3.510 124 V HA -0.058 4.062 4.120 0.000 0.000 0.270 124 V C 1.169 177.223 176.094 -0.066 0.000 1.201 124 V CA 1.588 63.870 62.300 -0.029 0.000 1.166 124 V CB -0.927 30.923 31.823 0.044 0.000 0.825 124 V HN 0.485 nan 8.190 nan 0.000 0.484 125 E N -0.680 119.482 120.200 -0.063 0.000 2.447 125 E HA 0.252 4.602 4.350 0.000 0.000 0.204 125 E C 0.489 177.034 176.600 -0.091 0.000 0.977 125 E CA -0.452 55.913 56.400 -0.058 0.000 0.950 125 E CB 0.016 29.700 29.700 -0.027 0.000 0.975 125 E HN 0.414 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 4.494 4.480 0.000 0.000 0.327 126 M C 0.587 176.789 176.300 -0.163 0.000 1.090 126 M CA 0.058 55.257 55.300 -0.169 0.000 1.087 126 M CB 0.333 32.762 32.600 -0.284 0.000 1.587 126 M HN -0.069 nan 8.290 nan 0.000 0.444 127 S N 1.818 117.448 115.700 -0.118 0.000 2.586 127 S HA 0.423 4.893 4.470 0.000 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 0.749 63.907 63.200 -0.070 0.000 0.962 127 S HN 0.480 nan 8.310 nan 0.000 0.512 128 V N 1.407 121.260 119.914 -0.103 0.000 3.647 128 V HA 0.412 4.532 4.120 0.000 0.000 0.279 128 V C 0.431 176.488 176.094 -0.062 0.000 1.314 128 V CA 0.147 62.389 62.300 -0.097 0.000 1.125 128 V CB -1.462 30.307 31.823 -0.091 0.000 0.907 128 V HN 0.806 nan 8.190 nan 0.000 0.434 129 E N 0.118 120.286 120.200 -0.053 0.000 2.367 129 E HA 0.445 4.795 4.350 0.000 0.000 0.273 129 E C -1.002 175.579 176.600 -0.033 0.000 0.903 129 E CA -0.817 55.560 56.400 -0.038 0.000 0.764 129 E CB 1.665 31.346 29.700 -0.031 0.000 1.252 129 E HN 0.144 nan 8.360 nan 0.000 0.446 130 Q N 1.967 121.751 119.800 -0.027 0.000 2.307 130 Q HA 0.246 4.586 4.340 0.000 0.000 0.259 130 Q C -0.841 175.150 176.000 -0.015 0.000 0.998 130 Q CA 0.351 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 1.993 122.187 120.200 -0.012 0.000 2.248 131 E HA 0.387 4.737 4.350 0.000 0.000 0.267 131 E C -0.607 175.998 176.600 0.008 0.000 0.877 131 E CA -0.686 55.714 56.400 -0.001 0.000 0.759 131 E CB 2.414 32.110 29.700 -0.006 0.000 1.182 131 E HN 0.572 nan 8.360 nan 0.000 0.418 132 I N 3.489 124.076 120.570 0.028 0.000 2.575 132 I HA 0.215 4.385 4.170 0.000 0.000 0.285 132 I C -0.970 175.172 176.117 0.041 0.000 1.085 132 I CA -0.450 60.878 61.300 0.046 0.000 1.403 132 I CB 0.498 38.544 38.000 0.078 0.000 1.409 132 I HN 0.477 nan 8.210 nan 0.000 0.557 133 L N 8.355 129.601 121.223 0.039 0.000 2.264 133 L HA 0.477 4.817 4.340 0.000 0.000 0.289 133 L C -0.882 176.023 176.870 0.058 0.000 1.044 133 L CA -0.371 54.463 54.840 -0.010 0.000 0.807 133 L CB 1.345 43.364 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 4.404 4.120 0.000 0.000 0.284 134 V C 1.132 177.330 176.094 0.173 0.000 1.050 134 V CA 0.401 62.777 62.300 0.128 0.000 0.981 134 V CB 1.245 33.125 31.823 0.095 0.000 0.990 134 V HN 0.981 nan 8.190 nan 0.000 0.474 135 T N -0.810 113.743 114.554 -0.002 0.000 2.971 135 T HA 0.319 4.669 4.350 0.000 0.000 0.252 135 T C 1.319 175.971 174.700 -0.080 0.000 1.022 135 T CA 0.596 62.669 62.100 -0.045 0.000 0.980 135 T CB 0.661 69.414 68.868 -0.191 0.000 1.044 135 T HN 1.465 nan 8.240 nan 0.000 0.501 136 G N 1.828 110.586 108.800 -0.071 0.000 2.157 136 G HA2 -0.180 3.780 3.960 0.000 0.000 0.248 136 G HA3 -0.180 3.780 3.960 0.000 0.000 0.248 136 G C -0.019 174.847 174.900 -0.057 0.000 0.979 136 G CA -0.066 44.995 45.100 -0.064 0.000 0.650 136 G HN 0.634 nan 8.290 nan 0.000 0.529 137 I N 1.178 121.703 120.570 -0.074 0.000 2.307 137 I HA 0.202 4.372 4.170 0.000 0.000 0.289 137 I C 1.683 177.779 176.117 -0.035 0.000 1.021 137 I CA -0.738 60.550 61.300 -0.021 0.000 1.224 137 I CB 1.168 39.159 38.000 -0.015 0.000 1.376 137 I HN 0.017 nan 8.210 nan 0.000 0.470 138 K N 3.623 124.012 120.400 -0.018 0.000 2.077 138 K HA -0.219 4.101 4.320 0.000 0.000 0.213 138 K C 1.771 178.305 176.600 -0.110 0.000 1.051 138 K CA 1.789 58.043 56.287 -0.056 0.000 0.929 138 K CB -0.250 32.214 32.500 -0.059 0.000 0.715 138 K HN 0.652 nan 8.250 nan 0.000 0.451 139 V N -0.405 119.462 119.914 -0.077 0.000 2.283 139 V HA -0.187 3.933 4.120 0.000 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 0.007 nan 8.190 nan 0.000 0.449 140 V N 1.266 121.142 119.914 -0.063 0.000 2.231 140 V HA -0.295 3.825 4.120 0.000 0.000 0.248 140 V C 2.510 178.548 176.094 -0.093 0.000 1.054 140 V CA 2.658 64.899 62.300 -0.098 0.000 1.015 140 V CB -0.949 30.730 31.823 -0.241 0.000 0.638 140 V HN 0.541 nan 8.190 nan 0.000 0.444 141 D N -0.440 119.902 120.400 -0.097 0.000 2.219 141 D HA -0.094 4.546 4.640 0.000 0.000 0.205 141 D C 1.907 178.230 176.300 0.039 0.000 0.970 141 D CA 1.140 55.121 54.000 -0.031 0.000 0.851 141 D CB -0.030 40.745 40.800 -0.042 0.000 0.943 141 D HN 0.461 nan 8.370 nan 0.000 0.488 142 L N -0.619 120.581 121.223 -0.040 0.000 2.168 142 L HA 0.088 4.428 4.340 0.000 0.000 0.203 142 L C 1.759 178.649 176.870 0.035 0.000 1.078 142 L CA 1.179 55.998 54.840 -0.034 0.000 0.780 142 L CB 0.014 41.900 42.059 -0.288 0.000 0.939 142 L HN -0.098 nan 8.230 nan 0.000 0.451 143 L N -0.549 120.645 121.223 -0.048 0.000 2.537 143 L HA 0.417 4.757 4.340 0.000 0.000 0.224 143 L C 0.901 177.765 176.870 -0.011 0.000 1.065 143 L CA 0.433 55.245 54.840 -0.046 0.000 0.860 143 L CB 0.008 42.008 42.059 -0.098 0.000 1.086 143 L HN 0.229 nan 8.230 nan 0.000 0.482 144 A N 0.502 123.332 122.820 0.016 0.000 3.355 144 A HA 0.475 4.795 4.320 0.000 0.000 0.290 144 A C -2.577 175.081 177.584 0.124 0.000 0.973 144 A CA -1.048 51.022 52.037 0.056 0.000 0.933 144 A CB -0.320 18.718 19.000 0.063 0.000 1.138 144 A HN -0.152 nan 8.150 nan 0.000 0.490 145 P HA 0.020 nan 4.420 nan 0.000 0.261 145 P C -0.337 177.100 177.300 0.228 0.000 1.183 145 P CA 0.632 63.802 63.100 0.117 0.000 0.761 145 P CB 0.094 31.835 31.700 0.067 0.000 0.785 146 Y N 1.951 122.252 120.300 0.001 0.000 2.335 146 Y HA 0.348 4.898 4.550 0.000 0.000 0.348 146 Y C 1.221 177.105 175.900 -0.027 0.000 1.280 146 Y CA -0.980 57.110 58.100 -0.017 0.000 1.504 146 Y CB -0.156 38.292 38.460 -0.019 0.000 1.366 146 Y HN 0.393 nan 8.280 nan 0.000 0.621 147 A N 1.639 124.515 122.820 0.094 0.000 2.386 147 A HA 0.541 4.861 4.320 0.000 0.000 0.311 147 A C -0.596 176.985 177.584 -0.005 0.000 1.068 147 A CA -1.116 50.937 52.037 0.027 0.000 0.743 147 A CB 0.855 19.852 19.000 -0.004 0.000 1.258 147 A HN 0.663 nan 8.150 nan 0.000 0.429 148 K N 0.749 121.137 120.400 -0.021 0.000 2.451 148 K HA 0.391 4.711 4.320 0.000 0.000 0.280 148 K C 1.299 177.867 176.600 -0.053 0.000 1.020 148 K CA 1.767 58.023 56.287 -0.051 0.000 1.008 148 K CB 0.123 32.589 32.500 -0.056 0.000 0.917 148 K HN 1.720 nan 8.250 nan 0.000 0.478 149 G N 2.345 111.106 108.800 -0.065 0.000 2.212 149 G HA2 -0.269 3.691 3.960 0.000 0.000 0.266 149 G HA3 -0.269 3.691 3.960 0.000 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 -0.511 108.249 108.800 -0.067 0.000 2.621 150 G HA2 0.568 4.528 3.960 0.000 0.000 0.271 150 G HA3 0.568 4.528 3.960 0.000 0.000 0.271 150 G C -0.250 174.583 174.900 -0.113 0.000 1.236 150 G CA -0.059 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 -0.782 119.548 120.400 -0.117 0.000 2.345 151 K HA 0.573 4.893 4.320 0.000 0.000 0.255 151 K C -1.020 175.463 176.600 -0.195 0.000 0.934 151 K CA -0.318 55.880 56.287 -0.148 0.000 0.801 151 K CB 2.243 34.682 32.500 -0.101 0.000 1.137 151 K HN 0.232 nan 8.250 nan 0.000 0.424 152 I N 1.216 121.633 120.570 -0.255 0.000 2.433 152 I HA 0.380 4.550 4.170 0.000 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 6.088 114.830 108.800 -0.096 0.000 2.393 153 G HA2 0.484 4.444 3.960 0.000 0.000 0.311 153 G HA3 0.484 4.444 3.960 0.000 0.000 0.311 153 G C -0.864 174.197 174.900 0.269 0.000 1.067 153 G CA -0.348 44.808 45.100 0.092 0.000 1.000 153 G HN 0.512 nan 8.290 nan 0.000 0.422 154 L N 4.123 125.500 121.223 0.257 0.000 2.259 154 L HA 0.662 5.002 4.340 0.000 0.000 0.288 154 L C -1.120 175.989 176.870 0.398 0.000 1.051 154 L CA -0.830 54.189 54.840 0.298 0.000 0.824 154 L CB -0.122 42.071 42.059 0.222 0.000 1.206 154 L HN 0.260 nan 8.230 nan 0.000 0.429 155 F N 3.391 123.376 119.950 0.058 0.000 2.408 155 F HA 0.870 5.397 4.527 0.000 0.000 0.325 155 F C 1.088 176.926 175.800 0.063 0.000 1.082 155 F CA -0.649 57.388 58.000 0.062 0.000 1.032 155 F CB 1.157 40.191 39.000 0.057 0.000 1.259 155 F HN 0.755 nan 8.300 nan 0.000 0.503 156 G N -0.006 108.933 108.800 0.232 0.000 2.692 156 G HA2 0.393 4.353 3.960 0.000 0.000 0.686 156 G HA3 0.393 4.353 3.960 0.000 0.000 0.686 156 G C -0.176 174.794 174.900 0.116 0.000 1.243 156 G CA -0.520 44.668 45.100 0.146 0.000 0.782 156 G HN 1.193 nan 8.290 nan 0.000 0.625 157 G N 0.191 109.045 108.800 0.090 0.000 2.844 157 G HA2 0.899 4.859 3.960 0.000 0.000 0.204 157 G HA3 0.899 4.859 3.960 0.000 0.000 0.204 157 G C 0.718 175.662 174.900 0.073 0.000 1.815 157 G CA 1.059 46.209 45.100 0.084 0.000 0.739 157 G HN 2.224 nan 8.290 nan 0.000 0.807 158 A N -1.275 121.582 122.820 0.061 0.000 2.286 158 A HA 0.582 4.902 4.320 0.000 0.000 0.286 158 A C 1.513 179.129 177.584 0.054 0.000 1.097 158 A CA 0.905 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 2.338 nan 8.150 nan 0.000 0.490 159 G N -0.875 107.959 108.800 0.057 0.000 2.507 159 G HA2 -0.212 3.748 3.960 0.000 0.000 0.240 159 G HA3 -0.212 3.748 3.960 0.000 0.000 0.240 159 G C 0.590 175.546 174.900 0.093 0.000 1.119 159 G CA 0.880 46.020 45.100 0.067 0.000 0.664 159 G HN 2.186 nan 8.290 nan 0.000 0.516 160 V N -0.173 119.781 119.914 0.066 0.000 2.498 160 V HA 0.726 4.846 4.120 0.000 0.000 0.279 160 V C 1.623 177.775 176.094 0.097 0.000 1.048 160 V CA 0.185 62.512 62.300 0.045 0.000 0.967 160 V CB 1.041 32.870 31.823 0.011 0.000 0.988 160 V HN 1.341 nan 8.190 nan 0.000 0.473 161 G N 2.620 111.516 108.800 0.160 0.000 3.241 161 G HA2 -0.170 3.790 3.960 0.000 0.000 0.199 161 G HA3 -0.170 3.790 3.960 0.000 0.000 0.199 161 G C 1.123 176.099 174.900 0.127 0.000 1.210 161 G CA 0.645 45.843 45.100 0.164 0.000 1.182 161 G HN 0.927 nan 8.290 nan 0.000 0.508 162 K N 0.510 120.974 120.400 0.107 0.000 2.032 162 K HA -0.260 4.060 4.320 0.000 0.000 0.218 162 K C 2.724 179.377 176.600 0.087 0.000 1.054 162 K CA 2.252 58.604 56.287 0.108 0.000 0.941 162 K CB -0.584 31.975 32.500 0.099 0.000 0.720 162 K HN 0.496 nan 8.250 nan 0.000 0.449 163 T N -1.759 112.826 114.554 0.052 0.000 2.962 163 T HA -0.039 4.311 4.350 0.000 0.000 0.270 163 T C 1.959 176.668 174.700 0.016 0.000 1.088 163 T CA 1.118 63.224 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 0.048 nan 8.240 nan 0.000 0.493 164 V N 0.560 120.511 119.914 0.061 0.000 2.649 164 V HA 0.126 4.246 4.120 0.000 0.000 0.248 164 V C 2.378 178.619 176.094 0.245 0.000 1.054 164 V CA 0.971 63.338 62.300 0.111 0.000 1.073 164 V CB -0.104 31.758 31.823 0.066 0.000 0.699 164 V HN 0.431 nan 8.190 nan 0.000 0.463 165 L N -0.260 121.127 121.223 0.274 0.000 2.109 165 L HA 0.002 4.342 4.340 0.000 0.000 0.207 165 L C 2.043 179.009 176.870 0.160 0.000 1.086 165 L CA 1.837 56.879 54.840 0.337 0.000 0.760 165 L CB -0.407 41.837 42.059 0.308 0.000 0.910 165 L HN 0.210 nan 8.230 nan 0.000 0.437 166 I N -1.254 119.357 120.570 0.067 0.000 2.394 166 I HA -0.288 3.882 4.170 0.000 0.000 0.251 166 I C 2.278 178.339 176.117 -0.092 0.000 1.136 166 I CA 1.264 62.494 61.300 -0.117 0.000 1.425 166 I CB -0.134 37.662 38.000 -0.340 0.000 1.079 166 I HN 0.307 nan 8.210 nan 0.000 0.425 167 M N -0.369 119.210 119.600 -0.035 0.000 2.388 167 M HA -0.142 4.338 4.480 0.000 0.000 0.265 167 M C 2.111 178.407 176.300 -0.007 0.000 1.088 167 M CA 1.212 56.504 55.300 -0.013 0.000 1.134 167 M CB -0.119 32.478 32.600 -0.006 0.000 1.384 167 M HN 0.083 nan 8.290 nan 0.000 0.447 168 E N 1.144 121.303 120.200 -0.068 0.000 2.046 168 E HA -0.101 4.249 4.350 0.000 0.000 0.190 168 E C 1.794 178.294 176.600 -0.167 0.000 0.982 168 E CA 1.089 57.331 56.400 -0.265 0.000 0.800 168 E CB -0.208 28.938 29.700 -0.924 0.000 0.756 168 E HN 0.396 nan 8.360 nan 0.000 0.449 169 L N 0.433 121.626 121.223 -0.050 0.000 1.990 169 L HA -0.252 4.088 4.340 0.000 0.000 0.213 169 L C 2.513 179.469 176.870 0.143 0.000 1.072 169 L CA 1.495 56.389 54.840 0.089 0.000 0.755 169 L CB -0.602 41.644 42.059 0.311 0.000 0.889 169 L HN 0.260 nan 8.230 nan 0.000 0.432 170 I N -0.167 120.531 120.570 0.212 0.000 2.068 170 I HA -0.409 3.761 4.170 0.000 0.000 0.238 170 I C 2.371 178.552 176.117 0.107 0.000 1.046 170 I CA 2.099 63.523 61.300 0.207 0.000 1.306 170 I CB -0.542 37.571 38.000 0.189 0.000 1.023 170 I HN 0.386 nan 8.210 nan 0.000 0.399 171 N N 1.305 120.036 118.700 0.052 0.000 2.011 171 N HA -0.251 4.489 4.740 0.000 0.000 0.199 171 N C 1.494 177.004 175.510 0.000 0.000 1.047 171 N CA 2.239 55.300 53.050 0.018 0.000 0.863 171 N CB -0.200 38.278 38.487 -0.014 0.000 1.056 171 N HN 0.220 nan 8.380 nan 0.000 0.427 172 N N -0.472 118.208 118.700 -0.033 0.000 2.348 172 N HA -0.108 4.632 4.740 0.000 0.000 0.185 172 N C 1.468 176.982 175.510 0.007 0.000 1.019 172 N CA 0.539 53.561 53.050 -0.047 0.000 0.880 172 N CB -0.308 38.126 38.487 -0.089 0.000 0.965 172 N HN 0.161 nan 8.380 nan 0.000 0.437 173 V N 0.617 120.576 119.914 0.074 0.000 2.407 173 V HA -0.048 4.072 4.120 0.000 0.000 0.245 173 V C 2.247 178.387 176.094 0.076 0.000 1.041 173 V CA 1.444 63.838 62.300 0.157 0.000 1.040 173 V CB -0.747 31.161 31.823 0.142 0.000 0.671 173 V HN 0.291 nan 8.190 nan 0.000 0.455 174 A N -0.098 122.745 122.820 0.040 0.000 1.865 174 A HA -0.268 4.052 4.320 0.000 0.000 0.217 174 A C 2.182 179.743 177.584 -0.038 0.000 1.191 174 A CA 2.294 54.329 52.037 -0.003 0.000 0.623 174 A CB -0.524 18.502 19.000 0.042 0.000 0.826 174 A HN 0.438 nan 8.150 nan 0.000 0.444 175 K N -0.167 120.209 120.400 -0.040 0.000 1.965 175 K HA -0.005 4.315 4.320 0.000 0.000 0.218 175 K C 2.105 178.628 176.600 -0.128 0.000 1.048 175 K CA 1.844 58.089 56.287 -0.070 0.000 0.960 175 K CB -0.785 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 4.239 4.320 0.000 0.000 0.215 176 A C 0.759 178.014 177.584 -0.549 0.000 1.152 176 A CA 1.235 53.019 52.037 -0.422 0.000 0.716 176 A CB -0.353 18.292 19.000 -0.590 0.000 0.794 176 A HN 0.429 nan 8.150 nan 0.000 0.465 177 H N -2.394 116.642 119.070 -0.056 0.000 3.367 177 H HA 0.222 4.778 4.556 0.000 0.000 0.257 177 H C 1.428 176.696 175.328 -0.100 0.000 1.201 177 H CA 0.236 56.245 56.048 -0.064 0.000 1.102 177 H CB 0.014 29.744 29.762 -0.053 0.000 1.656 177 H HN 0.537 nan 8.280 nan 0.000 0.662 178 G N 1.650 110.424 108.800 -0.043 0.000 2.269 178 G HA2 -0.272 3.688 3.960 0.000 0.000 0.277 178 G HA3 -0.272 3.688 3.960 0.000 0.000 0.277 178 G C 0.728 175.462 174.900 -0.277 0.000 1.008 178 G CA 0.568 45.579 45.100 -0.148 0.000 0.774 178 G HN 0.656 nan 8.290 nan 0.000 0.511 179 G N -1.330 107.371 108.800 -0.165 0.000 2.389 179 G HA2 0.612 4.572 3.960 0.000 0.000 0.317 179 G HA3 0.612 4.572 3.960 0.000 0.000 0.317 179 G C -0.422 174.346 174.900 -0.220 0.000 1.137 179 G CA -0.810 44.165 45.100 -0.209 0.000 0.870 179 G HN 0.148 nan 8.290 nan 0.000 0.496 180 Y N -0.051 120.185 120.300 -0.107 0.000 2.480 180 Y HA 0.641 5.191 4.550 0.000 0.000 0.323 180 Y C 0.896 176.752 175.900 -0.074 0.000 1.267 180 Y CA -1.067 56.928 58.100 -0.174 0.000 1.336 180 Y CB 1.928 40.077 38.460 -0.517 0.000 1.361 180 Y HN 0.474 nan 8.280 nan 0.000 0.518 181 S N -0.194 115.609 115.700 0.172 0.000 2.570 181 S HA 0.774 5.244 4.470 0.000 0.000 0.286 181 S C -1.252 173.468 174.600 0.200 0.000 1.099 181 S CA -0.915 57.393 58.200 0.181 0.000 0.913 181 S CB 1.881 65.239 63.200 0.263 0.000 1.085 181 S HN 0.300 nan 8.310 nan 0.000 0.480 182 V N 1.582 121.632 119.914 0.227 0.000 2.769 182 V HA 0.684 4.804 4.120 0.000 0.000 0.312 182 V C -1.215 175.094 176.094 0.357 0.000 1.058 182 V CA -0.803 61.639 62.300 0.236 0.000 0.952 182 V CB 1.432 33.357 31.823 0.170 0.000 1.019 182 V HN 0.847 nan 8.190 nan 0.000 0.445 183 F N 2.278 122.323 119.950 0.158 0.000 2.539 183 F HA 0.783 5.310 4.527 0.000 0.000 0.328 183 F C -0.008 175.879 175.800 0.145 0.000 1.148 183 F CA -0.619 57.498 58.000 0.194 0.000 0.940 183 F CB 1.187 40.277 39.000 0.149 0.000 1.194 183 F HN 0.649 nan 8.300 nan 0.000 0.438 184 A N 4.290 126.958 122.820 -0.253 0.000 2.258 184 A HA 0.670 4.990 4.320 0.000 0.000 0.316 184 A C -0.005 177.429 177.584 -0.250 0.000 1.279 184 A CA -0.299 51.672 52.037 -0.109 0.000 0.876 184 A CB 0.319 19.264 19.000 -0.092 0.000 1.170 184 A HN 1.061 nan 8.150 nan 0.000 0.520 185 G N 1.705 110.606 108.800 0.169 0.000 2.475 185 G HA2 0.487 4.447 3.960 0.000 0.000 0.322 185 G HA3 0.487 4.447 3.960 0.000 0.000 0.322 185 G C -0.452 174.490 174.900 0.070 0.000 1.044 185 G CA -0.211 44.986 45.100 0.161 0.000 1.047 185 G HN 0.675 nan 8.290 nan 0.000 0.436 186 V N 2.632 122.557 119.914 0.018 0.000 2.353 186 V HA 0.558 4.678 4.120 0.000 0.000 0.264 186 V C 1.215 177.330 176.094 0.034 0.000 1.049 186 V CA 0.467 62.792 62.300 0.043 0.000 0.896 186 V CB 0.479 32.343 31.823 0.068 0.000 1.025 186 V HN 1.326 nan 8.190 nan 0.000 0.475 187 G N 3.396 112.208 108.800 0.020 0.000 2.324 187 G HA2 -0.182 3.778 3.960 0.000 0.000 0.292 187 G HA3 -0.182 3.778 3.960 0.000 0.000 0.292 187 G C -0.058 174.829 174.900 -0.021 0.000 1.079 187 G CA -0.253 44.847 45.100 0.001 0.000 1.026 187 G HN 0.632 nan 8.290 nan 0.000 0.506 188 E N -0.107 120.057 120.200 -0.060 0.000 2.331 188 E HA 0.235 4.585 4.350 0.000 0.000 0.272 188 E C 0.965 177.498 176.600 -0.112 0.000 1.036 188 E CA -0.507 55.825 56.400 -0.114 0.000 0.864 188 E CB 0.619 30.134 29.700 -0.308 0.000 1.035 188 E HN 0.507 nan 8.360 nan 0.000 0.408 189 R N 1.952 122.400 120.500 -0.086 0.000 2.296 189 R HA 0.098 4.438 4.340 0.000 0.000 0.323 189 R C 1.266 177.517 176.300 -0.081 0.000 1.067 189 R CA -0.132 55.930 56.100 -0.063 0.000 0.946 189 R CB 0.143 30.422 30.300 -0.036 0.000 0.991 189 R HN 0.476 nan 8.270 nan 0.000 0.448 190 T N 2.114 116.627 114.554 -0.069 0.000 2.684 190 T HA -0.311 4.039 4.350 0.000 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 0.835 121.330 120.500 -0.009 0.000 2.080 191 R HA -0.118 4.222 4.340 0.000 0.000 0.236 191 R C 2.344 178.654 176.300 0.017 0.000 1.137 191 R CA 1.789 57.896 56.100 0.012 0.000 0.943 191 R CB -0.143 30.161 30.300 0.007 0.000 0.846 191 R HN 0.523 nan 8.270 nan 0.000 0.431 192 E N -1.067 119.128 120.200 -0.009 0.000 2.268 192 E HA -0.100 4.250 4.350 0.000 0.000 0.195 192 E C 1.773 178.362 176.600 -0.018 0.000 0.995 192 E CA 0.899 57.295 56.400 -0.006 0.000 0.836 192 E CB 0.007 29.699 29.700 -0.014 0.000 0.763 192 E HN 0.589 nan 8.360 nan 0.000 0.491 193 G N 1.987 110.740 108.800 -0.079 0.000 2.404 193 G HA2 -0.315 3.645 3.960 0.000 0.000 0.213 193 G HA3 -0.315 3.645 3.960 0.000 0.000 0.213 193 G C 1.363 176.382 174.900 0.199 0.000 1.189 193 G CA 0.821 45.867 45.100 -0.091 0.000 0.796 193 G HN 0.310 nan 8.290 nan 0.000 0.532 194 N N 0.564 119.380 118.700 0.193 0.000 2.192 194 N HA -0.134 4.606 4.740 0.000 0.000 0.188 194 N C 1.494 177.217 175.510 0.354 0.000 1.013 194 N CA 1.760 55.000 53.050 0.317 0.000 0.863 194 N CB -0.204 38.428 38.487 0.242 0.000 0.990 194 N HN 0.190 nan 8.380 nan 0.000 0.430 195 D N -0.771 119.749 120.400 0.201 0.000 2.234 195 D HA -0.040 4.600 4.640 0.000 0.000 0.205 195 D C 1.632 178.012 176.300 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 0.267 nan 8.370 nan 0.000 0.500 196 L N -0.355 120.939 121.223 0.119 0.000 2.095 196 L HA -0.047 4.293 4.340 0.000 0.000 0.204 196 L C 1.894 178.816 176.870 0.087 0.000 1.080 196 L CA 1.313 56.175 54.840 0.037 0.000 0.759 196 L CB -0.739 41.283 42.059 -0.061 0.000 0.914 196 L HN 0.009 nan 8.230 nan 0.000 0.439 197 Y N 0.727 121.029 120.300 0.003 0.000 2.014 197 Y HA -0.343 4.207 4.550 0.000 0.000 0.270 197 Y C 2.715 178.536 175.900 -0.131 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 -0.516 118.491 119.070 -0.105 0.000 2.457 198 H HA -0.114 4.442 4.556 0.000 0.000 0.297 198 H C 2.182 177.463 175.328 -0.078 0.000 1.092 198 H CA 1.636 57.573 56.048 -0.185 0.000 1.309 198 H CB -0.085 29.622 29.762 -0.092 0.000 1.382 198 H HN 0.528 nan 8.280 nan 0.000 0.535 199 E N -0.124 120.120 120.200 0.073 0.000 2.216 199 E HA -0.095 4.255 4.350 0.000 0.000 0.192 199 E C 1.746 178.366 176.600 0.033 0.000 0.988 199 E CA 0.443 56.884 56.400 0.069 0.000 0.834 199 E CB 0.132 29.861 29.700 0.048 0.000 0.772 199 E HN 0.458 nan 8.360 nan 0.000 0.479 200 M N -0.002 119.587 119.600 -0.018 0.000 2.193 200 M HA -0.058 4.422 4.480 0.000 0.000 0.265 200 M C 2.138 178.417 176.300 -0.035 0.000 1.071 200 M CA 0.938 56.222 55.300 -0.028 0.000 1.140 200 M CB -0.027 32.545 32.600 -0.047 0.000 1.369 200 M HN 0.154 nan 8.290 nan 0.000 0.423 201 I N 0.499 121.008 120.570 -0.102 0.000 2.091 201 I HA -0.337 3.833 4.170 0.000 0.000 0.239 201 I C 2.129 178.215 176.117 -0.051 0.000 1.061 201 I CA 1.694 62.915 61.300 -0.132 0.000 1.317 201 I CB -0.431 37.392 38.000 -0.294 0.000 1.031 201 I HN 0.335 nan 8.210 nan 0.000 0.401 202 E N 0.136 120.331 120.200 -0.009 0.000 2.209 202 E HA -0.210 4.140 4.350 0.000 0.000 0.196 202 E C 1.873 178.509 176.600 0.061 0.000 0.993 202 E CA 1.557 57.974 56.400 0.028 0.000 0.819 202 E CB -0.118 29.629 29.700 0.078 0.000 0.745 202 E HN 0.528 nan 8.360 nan 0.000 0.477 203 S N -1.421 114.330 115.700 0.086 0.000 2.577 203 S HA 0.283 4.753 4.470 0.000 0.000 0.219 203 S C 1.507 176.138 174.600 0.052 0.000 0.962 203 S CA 0.299 58.563 58.200 0.108 0.000 0.921 203 S CB 0.733 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 1.590 110.402 108.800 0.020 0.000 2.458 204 G HA2 -0.446 3.514 3.960 0.000 0.000 0.237 204 G HA3 -0.446 3.514 3.960 0.000 0.000 0.237 204 G C 1.188 176.089 174.900 0.002 0.000 1.113 204 G CA 0.682 45.785 45.100 0.005 0.000 0.655 204 G HN 1.458 nan 8.290 nan 0.000 0.513 205 V N -0.871 119.049 119.914 0.011 0.000 2.481 205 V HA -0.043 4.077 4.120 0.000 0.000 0.263 205 V C 1.423 177.516 176.094 -0.002 0.000 1.108 205 V CA 2.237 64.545 62.300 0.013 0.000 1.113 205 V CB -0.631 31.203 31.823 0.020 0.000 0.684 205 V HN 0.674 nan 8.190 nan 0.000 0.467 206 I N 0.901 121.460 120.570 -0.019 0.000 2.474 206 I HA 0.499 4.669 4.170 0.000 0.000 0.294 206 I C -0.183 175.910 176.117 -0.040 0.000 1.005 206 I CA -0.216 61.066 61.300 -0.029 0.000 1.113 206 I CB 1.763 39.745 38.000 -0.029 0.000 1.289 206 I HN 0.106 nan 8.210 nan 0.000 0.436 207 N N 5.790 124.470 118.700 -0.034 0.000 2.461 207 N HA 0.343 5.083 4.740 0.000 0.000 0.284 207 N C 0.041 175.533 175.510 -0.030 0.000 1.049 207 N CA -0.334 52.696 53.050 -0.033 0.000 0.889 207 N CB 1.962 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 2.910 124.110 121.223 -0.037 0.000 2.341 208 L HA 0.112 4.452 4.340 0.000 0.000 0.214 208 L C 2.096 178.957 176.870 -0.014 0.000 1.115 208 L CA 0.892 55.718 54.840 -0.024 0.000 0.820 208 L CB 0.148 42.185 42.059 -0.036 0.000 0.944 208 L HN 0.411 nan 8.230 nan 0.000 0.452 209 K N -0.362 120.028 120.400 -0.016 0.000 2.067 209 K HA -0.056 4.264 4.320 0.000 0.000 0.203 209 K C 0.805 177.401 176.600 -0.007 0.000 1.048 209 K CA 1.115 57.396 56.287 -0.010 0.000 0.954 209 K CB 0.138 32.632 32.500 -0.011 0.000 0.737 209 K HN 0.382 nan 8.250 nan 0.000 0.444 210 D N -1.451 118.944 120.400 -0.008 0.000 2.443 210 D HA 0.229 4.869 4.640 0.000 0.000 0.249 210 D C -0.439 175.857 176.300 -0.007 0.000 1.218 210 D CA -0.606 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 -0.904 121.914 122.820 -0.005 0.000 2.806 211 A HA 0.433 4.753 4.320 0.000 0.000 0.266 211 A C 0.320 177.898 177.584 -0.009 0.000 0.926 211 A CA 0.091 52.122 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 -2.246 112.303 114.554 -0.009 0.000 3.174 212 T HA 0.232 4.582 4.350 0.000 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 -0.456 68.419 68.868 0.013 0.000 1.077 212 T HN 0.240 nan 8.240 nan 0.000 0.552 213 S N 2.196 117.870 115.700 -0.042 0.000 2.533 213 S HA 0.237 4.707 4.470 0.000 0.000 0.282 213 S C 0.592 175.141 174.600 -0.084 0.000 1.304 213 S CA -0.690 57.477 58.200 -0.054 0.000 1.063 213 S CB 0.882 64.043 63.200 -0.066 0.000 0.881 213 S HN 0.527 nan 8.310 nan 0.000 0.493 214 K N 0.867 121.252 120.400 -0.024 0.000 2.399 214 K HA 0.288 4.608 4.320 0.000 0.000 0.204 214 K C -0.670 175.937 176.600 0.011 0.000 1.023 214 K CA -0.053 56.249 56.287 0.025 0.000 1.127 214 K CB 0.215 32.787 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 4.785 4.120 0.000 0.000 0.309 215 V C -1.004 175.083 176.094 -0.011 0.000 1.114 215 V CA -1.466 60.848 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 0.080 nan 8.190 nan 0.000 0.426 216 A N 4.171 127.010 122.820 0.031 0.000 2.318 216 A HA 0.909 5.229 4.320 0.000 0.000 0.324 216 A C -0.833 176.766 177.584 0.025 0.000 1.170 216 A CA -0.588 51.455 52.037 0.011 0.000 0.810 216 A CB 0.940 19.968 19.000 0.048 0.000 1.198 216 A HN 0.844 nan 8.150 nan 0.000 0.484 217 L N 2.881 124.057 121.223 -0.078 0.000 2.307 217 L HA 0.551 4.891 4.340 0.000 0.000 0.284 217 L C -0.827 175.922 176.870 -0.200 0.000 1.023 217 L CA -0.885 53.869 54.840 -0.143 0.000 0.810 217 L CB 1.654 43.465 42.059 -0.412 0.000 1.231 217 L HN 0.410 nan 8.230 nan 0.000 0.423 218 V N 3.151 123.044 119.914 -0.035 0.000 2.448 218 V HA 0.434 4.554 4.120 0.000 0.000 0.295 218 V C -0.876 175.341 176.094 0.205 0.000 1.025 218 V CA -0.620 61.683 62.300 0.005 0.000 0.859 218 V CB 1.696 33.538 31.823 0.031 0.000 0.988 218 V HN 0.374 nan 8.190 nan 0.000 0.431 219 Y N 1.979 122.303 120.300 0.040 0.000 2.393 219 Y HA 0.733 5.283 4.550 0.000 0.000 0.341 219 Y C 0.657 176.573 175.900 0.026 0.000 0.988 219 Y CA -1.702 56.428 58.100 0.049 0.000 1.078 219 Y CB 2.444 40.921 38.460 0.028 0.000 1.203 219 Y HN 0.653 nan 8.280 nan 0.000 0.453 220 G N 3.574 112.472 108.800 0.164 0.000 3.678 220 G HA2 0.374 4.334 3.960 0.000 0.000 0.344 220 G HA3 0.374 4.334 3.960 0.000 0.000 0.344 220 G C -0.592 174.320 174.900 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 0.762 120.565 119.800 0.004 0.000 2.474 221 Q HA 0.176 4.516 4.340 0.000 0.000 0.256 221 Q C 1.706 177.694 176.000 -0.019 0.000 1.048 221 Q CA 0.125 55.907 55.803 -0.036 0.000 0.922 221 Q CB 1.143 29.865 28.738 -0.027 0.000 1.288 221 Q HN 0.537 nan 8.270 nan 0.000 0.484 222 M N 1.215 120.798 119.600 -0.029 0.000 2.446 222 M HA -0.170 4.310 4.480 0.000 0.000 0.263 222 M C 0.835 177.128 176.300 -0.012 0.000 1.066 222 M CA 1.274 56.563 55.300 -0.019 0.000 1.087 222 M CB -0.204 32.383 32.600 -0.022 0.000 1.406 222 M HN 0.607 nan 8.290 nan 0.000 0.459 223 N N -0.267 118.427 118.700 -0.009 0.000 2.416 223 N HA -0.019 4.721 4.740 0.000 0.000 0.177 223 N C 0.035 175.544 175.510 -0.001 0.000 1.036 223 N CA 0.108 53.156 53.050 -0.005 0.000 0.901 223 N CB -0.024 38.462 38.487 -0.002 0.000 0.976 223 N HN 0.455 nan 8.380 nan 0.000 0.444 224 E N 1.981 122.182 120.200 0.001 0.000 2.418 224 E HA 0.098 4.448 4.350 0.000 0.000 0.261 224 E C -2.227 174.374 176.600 0.002 0.000 1.070 224 E CA -1.624 54.779 56.400 0.005 0.000 0.931 224 E CB 0.413 30.120 29.700 0.012 0.000 0.954 224 E HN 0.101 nan 8.360 nan 0.000 0.439 225 P HA -0.003 nan 4.420 nan 0.000 0.272 225 P C -2.160 175.139 177.300 -0.002 0.000 1.230 225 P CA -1.178 61.922 63.100 0.000 0.000 0.788 225 P CB -0.034 31.667 31.700 0.003 0.000 0.949 226 P HA -0.272 nan 4.420 nan 0.000 0.218 226 P C 1.645 178.938 177.300 -0.011 0.000 1.165 226 P CA 2.445 65.534 63.100 -0.018 0.000 0.922 226 P CB -0.870 30.815 31.700 -0.025 0.000 0.794 227 G N -0.257 108.543 108.800 -0.000 0.000 2.469 227 G HA2 -0.281 3.679 3.960 0.000 0.000 0.220 227 G HA3 -0.281 3.679 3.960 0.000 0.000 0.220 227 G C 1.732 176.647 174.900 0.025 0.000 1.136 227 G CA 1.394 46.503 45.100 0.014 0.000 0.759 227 G HN 0.444 nan 8.290 nan 0.000 0.562 228 A N 0.852 123.685 122.820 0.021 0.000 1.872 228 A HA 0.066 4.386 4.320 0.000 0.000 0.214 228 A C 2.406 180.009 177.584 0.033 0.000 1.187 228 A CA 1.331 53.383 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 -0.168 120.348 120.500 0.026 0.000 2.280 229 R HA 0.109 4.449 4.340 0.000 0.000 0.207 229 R C 2.065 178.399 176.300 0.057 0.000 1.043 229 R CA 0.700 56.822 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 1.251 124.094 122.820 0.039 0.000 1.874 230 A HA -0.034 4.286 4.320 0.000 0.000 0.214 230 A C 1.947 179.614 177.584 0.139 0.000 1.189 230 A CA 0.684 52.744 52.037 0.038 0.000 0.615 230 A CB 0.064 19.061 19.000 -0.005 0.000 0.830 230 A HN 0.037 nan 8.150 nan 0.000 0.443 231 R N -0.004 120.555 120.500 0.099 0.000 2.112 231 R HA -0.018 4.322 4.340 0.000 0.000 0.216 231 R C 2.128 178.457 176.300 0.048 0.000 1.080 231 R CA 1.355 57.503 56.100 0.080 0.000 0.996 231 R CB -1.629 28.688 30.300 0.029 0.000 0.902 231 R HN 0.589 nan 8.270 nan 0.000 0.449 232 V N -0.411 119.532 119.914 0.047 0.000 2.511 232 V HA -0.206 3.914 4.120 0.000 0.000 0.257 232 V C 2.154 178.255 176.094 0.011 0.000 1.088 232 V CA 2.006 64.324 62.300 0.030 0.000 1.098 232 V CB -1.148 30.706 31.823 0.053 0.000 0.674 232 V HN 0.182 nan 8.190 nan 0.000 0.470 233 A N 0.142 122.974 122.820 0.019 0.000 2.067 233 A HA 0.202 4.522 4.320 0.000 0.000 0.217 233 A C 2.163 179.685 177.584 -0.104 0.000 1.156 233 A CA 1.433 53.419 52.037 -0.085 0.000 0.683 233 A CB -0.402 18.460 19.000 -0.229 0.000 0.808 233 A HN 0.589 nan 8.150 nan 0.000 0.455 234 L N -1.199 119.989 121.223 -0.058 0.000 2.044 234 L HA -0.121 4.219 4.340 0.000 0.000 0.205 234 L C 2.745 179.564 176.870 -0.086 0.000 1.075 234 L CA 1.666 56.459 54.840 -0.079 0.000 0.747 234 L CB -1.191 40.815 42.059 -0.088 0.000 0.903 234 L HN 0.272 nan 8.230 nan 0.000 0.435 235 T N 0.151 114.657 114.554 -0.080 0.000 2.653 235 T HA -0.208 4.142 4.350 0.000 0.000 0.268 235 T C 1.800 176.470 174.700 -0.051 0.000 1.035 235 T CA 1.754 63.811 62.100 -0.073 0.000 1.154 235 T CB -0.617 68.216 68.868 -0.057 0.000 0.862 235 T HN 0.597 nan 8.240 nan 0.000 0.441 236 G N 1.011 109.788 108.800 -0.037 0.000 2.440 236 G HA2 -0.163 3.797 3.960 0.000 0.000 0.218 236 G HA3 -0.163 3.797 3.960 0.000 0.000 0.218 236 G C 1.504 176.392 174.900 -0.019 0.000 1.154 236 G CA 0.718 45.808 45.100 -0.017 0.000 0.767 236 G HN 0.385 nan 8.290 nan 0.000 0.552 237 L N 0.998 122.190 121.223 -0.050 0.000 2.012 237 L HA -0.036 4.304 4.340 0.000 0.000 0.210 237 L C 3.011 179.867 176.870 -0.024 0.000 1.073 237 L CA 2.425 57.235 54.840 -0.049 0.000 0.748 237 L CB -1.135 40.877 42.059 -0.077 0.000 0.891 237 L HN 0.197 nan 8.230 nan 0.000 0.431 238 T N -1.123 113.410 114.554 -0.035 0.000 2.635 238 T HA -0.222 4.128 4.350 0.000 0.000 0.267 238 T C 1.971 176.664 174.700 -0.012 0.000 1.040 238 T CA 1.874 63.957 62.100 -0.029 0.000 1.156 238 T CB -0.424 68.414 68.868 -0.051 0.000 0.863 238 T HN 0.182 nan 8.240 nan 0.000 0.430 239 V N 1.599 121.504 119.914 -0.015 0.000 2.231 239 V HA -0.251 3.869 4.120 0.000 0.000 0.248 239 V C 2.859 178.997 176.094 0.072 0.000 1.054 239 V CA 2.024 64.321 62.300 -0.006 0.000 1.015 239 V CB -1.306 30.536 31.823 0.032 0.000 0.638 239 V HN 0.576 nan 8.190 nan 0.000 0.444 240 A N -0.751 122.146 122.820 0.129 0.000 1.917 240 A HA -0.318 4.002 4.320 0.000 0.000 0.219 240 A C 2.128 179.796 177.584 0.140 0.000 1.182 240 A CA 2.251 54.405 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 -1.869 118.367 120.200 0.061 0.000 2.160 241 E HA -0.240 4.111 4.350 0.000 0.000 0.195 241 E C 1.744 178.354 176.600 0.017 0.000 0.991 241 E CA 1.474 57.891 56.400 0.029 0.000 0.810 241 E CB -0.308 29.397 29.700 0.008 0.000 0.742 241 E HN 0.837 nan 8.360 nan 0.000 0.466 242 Y N 0.365 120.575 120.300 -0.150 0.000 2.114 242 Y HA -0.233 4.317 4.550 0.000 0.000 0.284 242 Y C 1.500 177.255 175.900 -0.243 0.000 1.143 242 Y CA 1.501 59.441 58.100 -0.267 0.000 1.135 242 Y CB -0.380 37.792 38.460 -0.480 0.000 0.980 242 Y HN -0.055 nan 8.280 nan 0.000 0.499 243 F N 0.667 120.783 119.950 0.277 0.000 2.724 243 F HA -0.024 4.503 4.527 0.000 0.000 0.297 243 F C 2.389 178.189 175.800 -0.001 0.000 1.200 243 F CA 1.253 59.352 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 -0.358 120.165 120.500 0.039 0.000 2.302 244 R HA 0.038 4.378 4.340 0.000 0.000 0.187 244 R C 1.085 177.342 176.300 -0.072 0.000 0.904 244 R CA 0.427 56.526 56.100 -0.001 0.000 1.105 244 R CB 0.145 30.454 30.300 0.015 0.000 1.239 244 R HN 0.015 nan 8.270 nan 0.000 0.620 245 D N 0.383 120.716 120.400 -0.112 0.000 2.348 245 D HA -0.016 4.624 4.640 0.000 0.000 0.211 245 D C 1.275 177.462 176.300 -0.188 0.000 0.998 245 D CA 0.645 54.573 54.000 -0.119 0.000 0.873 245 D CB 0.600 41.351 40.800 -0.082 0.000 0.925 245 D HN 0.141 nan 8.370 nan 0.000 0.524 246 Q N -0.238 119.351 119.800 -0.352 0.000 2.322 246 Q HA 0.159 4.499 4.340 0.000 0.000 0.250 246 Q C 0.739 176.526 176.000 -0.356 0.000 0.853 246 Q CA 0.447 55.972 55.803 -0.463 0.000 0.951 246 Q CB 1.150 29.264 28.738 -1.040 0.000 1.114 246 Q HN 0.367 nan 8.270 nan 0.000 0.523 247 E N -0.724 119.309 120.200 -0.277 0.000 2.743 247 E HA 0.201 4.551 4.350 0.000 0.000 0.222 247 E C 0.114 176.697 176.600 -0.028 0.000 0.959 247 E CA 0.108 56.455 56.400 -0.089 0.000 1.198 247 E CB 1.155 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 2.994 111.764 108.800 -0.051 0.000 2.441 248 G HA2 -0.336 3.624 3.960 0.000 0.000 0.298 248 G HA3 -0.336 3.624 3.960 0.000 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 -0.837 118.974 119.800 0.018 0.000 2.173 249 Q HA 0.482 4.822 4.340 0.000 0.000 0.186 249 Q C -0.676 175.321 176.000 -0.005 0.000 1.018 249 Q CA -0.733 55.071 55.803 0.001 0.000 1.064 249 Q CB 0.701 29.443 28.738 0.005 0.000 1.130 249 Q HN 0.208 nan 8.270 nan 0.000 0.553 250 D N 0.900 121.283 120.400 -0.028 0.000 2.477 250 D HA 0.275 4.915 4.640 0.000 0.000 0.239 250 D C -0.987 175.293 176.300 -0.033 0.000 1.102 250 D CA -0.136 53.830 54.000 -0.057 0.000 0.901 250 D CB 1.009 41.731 40.800 -0.130 0.000 1.026 250 D HN 0.112 nan 8.370 nan 0.000 0.515 251 V N 1.514 121.437 119.914 0.014 0.000 3.083 251 V HA 0.369 4.489 4.120 0.000 0.000 0.306 251 V C 0.576 176.659 176.094 -0.018 0.000 1.077 251 V CA -0.757 61.575 62.300 0.054 0.000 1.073 251 V CB 1.436 33.345 31.823 0.143 0.000 1.081 251 V HN 0.351 nan 8.190 nan 0.000 0.474 252 L N 2.785 123.991 121.223 -0.028 0.000 2.333 252 L HA 0.560 4.900 4.340 0.000 0.000 0.280 252 L C -1.024 175.728 176.870 -0.198 0.000 1.004 252 L CA -0.582 54.160 54.840 -0.164 0.000 0.820 252 L CB 1.693 43.634 42.059 -0.197 0.000 1.247 252 L HN 0.508 nan 8.230 nan 0.000 0.416 253 L N 3.917 124.963 121.223 -0.294 0.000 2.333 253 L HA 0.580 4.920 4.340 0.000 0.000 0.280 253 L C -1.438 175.222 176.870 -0.349 0.000 1.004 253 L CA 0.160 54.873 54.840 -0.212 0.000 0.820 253 L CB 1.361 43.339 42.059 -0.136 0.000 1.247 253 L HN 0.239 nan 8.230 nan 0.000 0.416 254 F N 6.019 125.921 119.950 -0.081 0.000 2.427 254 F HA 0.546 5.073 4.527 0.000 0.000 0.348 254 F C -0.295 175.287 175.800 -0.364 0.000 1.125 254 F CA -0.404 57.498 58.000 -0.163 0.000 0.989 254 F CB 1.355 40.309 39.000 -0.078 0.000 1.165 254 F HN 0.224 nan 8.300 nan 0.000 0.442 255 I N 3.371 123.877 120.570 -0.107 0.000 2.354 255 I HA 0.285 4.455 4.170 0.000 0.000 0.286 255 I C -0.829 175.205 176.117 -0.137 0.000 1.007 255 I CA -0.277 60.909 61.300 -0.189 0.000 1.167 255 I CB 1.179 39.068 38.000 -0.185 0.000 1.320 255 I HN 0.354 nan 8.210 nan 0.000 0.458 256 D N 5.711 125.984 120.400 -0.210 0.000 2.462 256 D HA 0.284 4.924 4.640 0.000 0.000 0.245 256 D C -0.948 175.353 176.300 0.002 0.000 1.122 256 D CA -0.438 53.528 54.000 -0.057 0.000 0.864 256 D CB 1.061 41.862 40.800 0.002 0.000 1.098 256 D HN 0.598 nan 8.370 nan 0.000 0.541 257 N N 2.170 120.903 118.700 0.055 0.000 2.272 257 N HA 0.213 4.953 4.740 0.000 0.000 0.305 257 N C 0.589 176.171 175.510 0.120 0.000 1.103 257 N CA -0.732 52.372 53.050 0.089 0.000 0.791 257 N CB 1.322 39.888 38.487 0.131 0.000 1.356 257 N HN 0.145 nan 8.380 nan 0.000 0.486 258 I N 0.975 121.610 120.570 0.109 0.000 2.502 258 I HA -0.093 4.077 4.170 0.000 0.000 0.258 258 I C 1.203 177.465 176.117 0.241 0.000 1.172 258 I CA 1.151 62.528 61.300 0.128 0.000 1.430 258 I CB -0.494 37.546 38.000 0.067 0.000 1.086 258 I HN 0.743 nan 8.210 nan 0.000 0.440 259 F N 1.135 121.173 119.950 0.146 0.000 2.206 259 F HA -0.071 4.456 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 1.331 59.437 58.000 0.178 0.000 1.323 259 F CB -0.327 38.831 39.000 0.264 0.000 1.028 259 F HN -0.091 nan 8.300 nan 0.000 0.492 260 R N -0.873 119.678 120.500 0.086 0.000 2.285 260 R HA -0.128 4.212 4.340 0.000 0.000 0.213 260 R C 1.977 178.261 176.300 -0.027 0.000 1.068 260 R CA 1.006 57.087 56.100 -0.032 0.000 1.004 260 R CB -0.627 29.707 30.300 0.056 0.000 0.873 260 R HN 0.388 nan 8.270 nan 0.000 0.467 261 F N 1.191 121.074 119.950 -0.111 0.000 2.098 261 F HA -0.116 4.411 4.527 0.000 0.000 0.294 261 F C 2.026 177.757 175.800 -0.116 0.000 1.107 261 F CA 1.518 59.465 58.000 -0.089 0.000 1.234 261 F CB -0.613 38.349 39.000 -0.065 0.000 1.002 261 F HN -0.212 nan 8.300 nan 0.000 0.472 262 T N 0.600 114.947 114.554 -0.345 0.000 2.684 262 T HA -0.204 4.146 4.350 0.000 0.000 0.267 262 T C 1.876 176.376 174.700 -0.334 0.000 1.036 262 T CA 1.649 63.511 62.100 -0.397 0.000 1.148 262 T CB -0.267 68.439 68.868 -0.269 0.000 0.863 262 T HN 0.206 nan 8.240 nan 0.000 0.436 263 Q N 0.730 120.278 119.800 -0.419 0.000 2.084 263 Q HA 0.047 4.387 4.340 0.000 0.000 0.202 263 Q C 2.644 178.526 176.000 -0.198 0.000 0.978 263 Q CA 1.683 57.302 55.803 -0.306 0.000 0.844 263 Q CB -0.950 27.567 28.738 -0.368 0.000 0.898 263 Q HN 0.573 nan 8.270 nan 0.000 0.426 264 A N 0.263 122.962 122.820 -0.202 0.000 1.940 264 A HA -0.106 4.214 4.320 0.000 0.000 0.219 264 A C 2.288 179.770 177.584 -0.169 0.000 1.176 264 A CA 1.825 53.775 52.037 -0.145 0.000 0.631 264 A CB -1.044 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 -0.646 107.992 108.800 -0.270 0.000 2.459 265 G HA2 -0.187 3.773 3.960 0.000 0.000 0.217 265 G HA3 -0.187 3.773 3.960 0.000 0.000 0.217 265 G C 1.852 176.672 174.900 -0.132 0.000 1.183 265 G CA 1.318 46.268 45.100 -0.249 0.000 0.776 265 G HN 0.487 nan 8.290 nan 0.000 0.552 266 S N 0.764 116.405 115.700 -0.098 0.000 2.359 266 S HA -0.120 4.350 4.470 0.000 0.000 0.224 266 S C 2.193 176.758 174.600 -0.059 0.000 1.035 266 S CA 1.637 59.806 58.200 -0.050 0.000 1.018 266 S CB -0.301 62.873 63.200 -0.043 0.000 0.876 266 S HN 0.631 nan 8.310 nan 0.000 0.448 267 E N 0.626 120.784 120.200 -0.070 0.000 2.058 267 E HA -0.135 4.215 4.350 0.000 0.000 0.194 267 E C 2.153 178.728 176.600 -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 1.166 121.050 119.914 -0.050 0.000 2.287 268 V HA -0.292 3.828 4.120 0.000 0.000 0.248 268 V C 2.505 178.580 176.094 -0.031 0.000 1.053 268 V CA 1.979 64.257 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 0.276 nan 8.190 nan 0.000 0.447 269 S N -0.230 115.447 115.700 -0.038 0.000 2.353 269 S HA -0.246 4.224 4.470 0.000 0.000 0.222 269 S C 2.185 176.773 174.600 -0.020 0.000 1.035 269 S CA 1.837 60.021 58.200 -0.027 0.000 1.025 269 S CB -0.465 62.719 63.200 -0.026 0.000 0.902 269 S HN 0.639 nan 8.310 nan 0.000 0.440 270 A N 1.643 124.449 122.820 -0.024 0.000 1.917 270 A HA -0.051 4.269 4.320 0.000 0.000 0.219 270 A C 2.207 179.782 177.584 -0.016 0.000 1.182 270 A CA 1.720 53.744 52.037 -0.021 0.000 0.633 270 A CB -0.906 18.078 19.000 -0.027 0.000 0.819 270 A HN 0.613 nan 8.150 nan 0.000 0.448 271 L N -1.000 120.213 121.223 -0.017 0.000 2.131 271 L HA -0.101 4.239 4.340 0.000 0.000 0.210 271 L C 1.674 178.540 176.870 -0.007 0.000 1.092 271 L CA 0.767 55.600 54.840 -0.011 0.000 0.759 271 L CB -0.563 41.489 42.059 -0.011 0.000 0.903 271 L HN 0.336 nan 8.230 nan 0.000 0.435 272 L N 0.357 121.576 121.223 -0.007 0.000 2.660 272 L HA 0.161 4.501 4.340 0.000 0.000 0.238 272 L C 1.332 178.201 176.870 -0.003 0.000 1.161 272 L CA 0.130 54.968 54.840 -0.003 0.000 0.937 272 L CB -0.699 41.358 42.059 -0.003 0.000 1.122 272 L HN 0.421 nan 8.230 nan 0.000 0.435 273 G N 1.064 109.862 108.800 -0.005 0.000 2.258 273 G HA2 -0.323 3.637 3.960 0.000 0.000 0.274 273 G HA3 -0.323 3.637 3.960 0.000 0.000 0.274 273 G C 0.290 175.187 174.900 -0.004 0.000 1.021 273 G CA 0.152 45.250 45.100 -0.004 0.000 0.798 273 G HN 0.501 nan 8.290 nan 0.000 0.507 274 R N -0.665 119.832 120.500 -0.005 0.000 2.349 274 R HA 0.558 4.898 4.340 0.000 0.000 0.299 274 R C 0.863 177.161 176.300 -0.003 0.000 1.027 274 R CA -1.001 55.097 56.100 -0.003 0.000 0.958 274 R CB 1.260 31.557 30.300 -0.004 0.000 1.047 274 R HN 0.267 nan 8.270 nan 0.000 0.468 275 I N 4.627 125.196 120.570 -0.001 0.000 2.742 275 I HA -0.039 4.131 4.170 0.000 0.000 0.287 275 I C -1.711 174.408 176.117 0.004 0.000 1.186 275 I CA -1.187 60.113 61.300 0.001 0.000 1.417 275 I CB 0.030 38.032 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 62.763 63.100 0.009 0.000 0.791 276 P CB 0.698 32.392 31.700 -0.010 0.000 0.978 277 S N -0.249 115.481 115.700 0.050 0.000 2.694 277 S HA 0.714 5.185 4.470 0.000 0.000 0.286 277 S C -0.045 174.597 174.600 0.070 0.000 1.080 277 S CA -0.668 57.565 58.200 0.054 0.000 0.953 277 S CB -0.241 62.991 63.200 0.054 0.000 1.313 277 S HN 0.540 nan 8.310 nan 0.000 0.555 278 A N 0.376 123.244 122.820 0.079 0.000 2.598 278 A HA 0.404 4.725 4.320 0.000 0.000 0.239 278 A C 1.112 178.778 177.584 0.137 0.000 1.032 278 A CA 0.270 52.360 52.037 0.087 0.000 0.760 278 A CB -1.311 17.739 19.000 0.083 0.000 0.946 278 A HN 1.836 nan 8.150 nan 0.000 0.512 279 V N 1.354 121.317 119.914 0.083 0.000 2.666 279 V HA -0.324 3.796 4.120 0.000 0.000 0.147 279 V C 1.941 177.972 176.094 -0.105 0.000 0.450 279 V CA 1.810 64.135 62.300 0.043 0.000 1.232 279 V CB -2.391 29.531 31.823 0.165 0.000 1.437 279 V HN 2.978 nan 8.190 nan 0.000 1.056 280 G N -2.750 106.011 108.800 -0.064 0.000 2.199 280 G HA2 -0.343 3.617 3.960 0.000 0.000 0.254 280 G HA3 -0.343 3.617 3.960 0.000 0.000 0.254 280 G C -0.044 174.755 174.900 -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 1.733 122.037 120.300 0.006 0.000 2.220 281 Y HA 0.411 4.961 4.550 0.000 0.000 0.347 281 Y C 1.496 177.382 175.900 -0.023 0.000 1.311 281 Y CA 0.216 58.309 58.100 -0.013 0.000 1.593 281 Y CB 0.242 38.700 38.460 -0.004 0.000 1.419 281 Y HN 0.411 nan 8.280 nan 0.000 0.614 282 Q N 1.253 121.152 119.800 0.165 0.000 2.373 282 Q HA 0.142 4.482 4.340 0.000 0.000 0.255 282 Q C -2.395 173.639 176.000 0.057 0.000 0.980 282 Q CA -1.767 54.073 55.803 0.063 0.000 0.882 282 Q CB 0.826 29.573 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 0.218 283 P C 0.889 178.199 177.300 0.017 0.000 1.148 283 P CA 1.761 64.876 63.100 0.025 0.000 0.822 283 P CB -0.064 31.644 31.700 0.013 0.000 0.784 284 T N -3.579 110.980 114.554 0.007 0.000 3.312 284 T HA 0.162 4.512 4.350 0.000 0.000 0.251 284 T C 1.322 176.019 174.700 -0.005 0.000 1.012 284 T CA -0.333 61.767 62.100 0.000 0.000 0.925 284 T CB -0.988 67.874 68.868 -0.010 0.000 1.049 284 T HN -0.130 nan 8.240 nan 0.000 0.583 285 L N 1.700 122.922 121.223 -0.002 0.000 2.021 285 L HA -0.017 4.323 4.340 0.000 0.000 0.215 285 L C 2.647 179.515 176.870 -0.004 0.000 1.074 285 L CA 2.343 57.167 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 4.182 4.320 0.000 0.000 0.218 286 A C 2.301 179.931 177.584 0.075 0.000 1.163 286 A CA 1.931 54.002 52.037 0.057 0.000 0.652 286 A CB -1.122 17.907 19.000 0.048 0.000 0.808 286 A HN 0.667 nan 8.150 nan 0.000 0.449 287 T N -2.995 111.587 114.554 0.047 0.000 2.976 287 T HA -0.063 4.287 4.350 0.000 0.000 0.257 287 T C 1.328 176.060 174.700 0.054 0.000 1.051 287 T CA 1.089 63.218 62.100 0.049 0.000 1.141 287 T CB -0.379 68.505 68.868 0.027 0.000 0.881 287 T HN 0.265 nan 8.240 nan 0.000 0.461 288 D N 1.048 121.468 120.400 0.033 0.000 2.190 288 D HA -0.074 4.566 4.640 0.000 0.000 0.200 288 D C 1.861 178.247 176.300 0.144 0.000 0.992 288 D CA 1.217 55.238 54.000 0.035 0.000 0.854 288 D CB -0.286 40.469 40.800 -0.075 0.000 0.936 288 D HN 0.403 nan 8.370 nan 0.000 0.462 289 M N 0.186 119.869 119.600 0.137 0.000 2.216 289 M HA 0.115 4.595 4.480 0.000 0.000 0.264 289 M C 2.008 178.310 176.300 0.004 0.000 1.080 289 M CA 1.829 57.233 55.300 0.173 0.000 1.153 289 M CB -0.562 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 -0.761 108.075 108.800 0.060 0.000 2.421 290 G HA2 -0.250 3.710 3.960 0.000 0.000 0.216 290 G HA3 -0.250 3.710 3.960 0.000 0.000 0.216 290 G C 1.466 176.385 174.900 0.033 0.000 1.171 290 G CA 1.638 46.781 45.100 0.072 0.000 0.775 290 G HN 0.615 nan 8.290 nan 0.000 0.543 291 T N -1.819 112.768 114.554 0.055 0.000 2.977 291 T HA -0.024 4.326 4.350 0.000 0.000 0.271 291 T C 2.085 176.804 174.700 0.033 0.000 1.105 291 T CA 1.535 63.666 62.100 0.051 0.000 1.116 291 T CB -0.050 68.856 68.868 0.064 0.000 0.878 291 T HN 0.190 nan 8.240 nan 0.000 0.509 292 M N -0.075 119.530 119.600 0.009 0.000 2.553 292 M HA 0.130 4.610 4.480 0.000 0.000 0.255 292 M C 2.158 178.370 176.300 -0.146 0.000 1.181 292 M CA 0.979 56.240 55.300 -0.065 0.000 1.210 292 M CB -0.428 32.109 32.600 -0.105 0.000 1.280 292 M HN 0.056 nan 8.290 nan 0.000 0.495 293 Q N 1.314 120.972 119.800 -0.236 0.000 2.133 293 Q HA -0.183 4.157 4.340 0.000 0.000 0.208 293 Q C 1.746 177.664 176.000 -0.136 0.000 0.991 293 Q CA 1.643 57.269 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 2.338 294 E HA -0.122 4.228 4.350 0.000 0.000 0.197 294 E C 1.660 178.257 176.600 -0.005 0.000 1.007 294 E CA 0.385 56.790 56.400 0.009 0.000 0.849 294 E CB -0.063 29.668 29.700 0.052 0.000 0.774 294 E HN 0.346 nan 8.360 nan 0.000 0.506 295 R N 0.184 120.668 120.500 -0.027 0.000 2.323 295 R HA 0.139 4.479 4.340 0.000 0.000 0.198 295 R C 0.610 176.887 176.300 -0.039 0.000 0.988 295 R CA 0.193 56.278 56.100 -0.025 0.000 1.041 295 R CB 0.172 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 1.728 122.267 120.570 -0.052 0.000 2.337 296 I HA 0.155 4.325 4.170 0.000 0.000 0.285 296 I C -0.299 175.791 176.117 -0.045 0.000 1.041 296 I CA -0.084 61.179 61.300 -0.062 0.000 1.199 296 I CB 1.309 39.253 38.000 -0.093 0.000 1.370 296 I HN 0.079 nan 8.210 nan 0.000 0.470 297 T N 0.031 114.560 114.554 -0.041 0.000 2.677 297 T HA 0.249 4.599 4.350 0.000 0.000 0.305 297 T C -0.486 174.189 174.700 -0.040 0.000 1.569 297 T CA -0.893 61.185 62.100 -0.037 0.000 0.984 297 T CB 1.294 70.147 68.868 -0.025 0.000 1.629 297 T HN 0.154 nan 8.240 nan 0.000 0.494 298 T N 2.801 117.329 114.554 -0.043 0.000 2.811 298 T HA 0.580 4.930 4.350 0.000 0.000 0.309 298 T C 0.742 175.414 174.700 -0.046 0.000 1.005 298 T CA -0.500 61.573 62.100 -0.046 0.000 0.955 298 T CB 0.061 68.900 68.868 -0.048 0.000 0.970 298 T HN 0.922 nan 8.240 nan 0.000 0.496 299 T N 0.688 115.217 114.554 -0.042 0.000 2.852 299 T HA 0.416 4.766 4.350 0.000 0.000 0.281 299 T C 1.398 176.071 174.700 -0.045 0.000 0.993 299 T CA -0.916 61.158 62.100 -0.044 0.000 0.933 299 T CB 1.170 70.017 68.868 -0.036 0.000 1.187 299 T HN 0.293 nan 8.240 nan 0.000 0.559 300 K N -0.004 120.369 120.400 -0.045 0.000 2.147 300 K HA -0.017 4.303 4.320 0.000 0.000 0.205 300 K C 2.362 178.940 176.600 -0.036 0.000 1.049 300 K CA 1.180 57.442 56.287 -0.041 0.000 0.936 300 K CB -0.097 32.378 32.500 -0.041 0.000 0.722 300 K HN 0.502 nan 8.250 nan 0.000 0.446 301 K N -0.617 119.761 120.400 -0.037 0.000 2.057 301 K HA -0.020 4.300 4.320 0.000 0.000 0.206 301 K C 1.151 177.730 176.600 -0.035 0.000 1.050 301 K CA 1.088 57.353 56.287 -0.037 0.000 0.935 301 K CB 0.243 32.717 32.500 -0.044 0.000 0.715 301 K HN 0.277 nan 8.250 nan 0.000 0.439 302 G N -0.579 108.201 108.800 -0.034 0.000 2.512 302 G HA2 0.298 4.258 3.960 0.000 0.000 0.186 302 G HA3 0.298 4.258 3.960 0.000 0.000 0.186 302 G C -1.535 173.344 174.900 -0.035 0.000 1.189 302 G CA -0.111 44.970 45.100 -0.031 0.000 0.994 302 G HN 0.164 nan 8.290 nan 0.000 0.506 303 S N -1.130 114.550 115.700 -0.034 0.000 2.543 303 S HA 0.663 5.133 4.470 0.000 0.000 0.274 303 S C -1.377 173.200 174.600 -0.037 0.000 1.149 303 S CA -0.776 57.399 58.200 -0.041 0.000 0.866 303 S CB 1.333 64.498 63.200 -0.058 0.000 1.111 303 S HN 0.868 nan 8.310 nan 0.000 0.457 304 I N 2.170 122.716 120.570 -0.041 0.000 2.377 304 I HA 0.453 4.623 4.170 0.000 0.000 0.293 304 I C -0.320 175.749 176.117 -0.080 0.000 0.987 304 I CA -0.497 60.775 61.300 -0.047 0.000 1.185 304 I CB 2.146 40.123 38.000 -0.038 0.000 1.341 304 I HN 0.666 nan 8.210 nan 0.000 0.455 305 T N 4.046 118.536 114.554 -0.107 0.000 2.792 305 T HA 0.263 4.613 4.350 0.000 0.000 0.280 305 T C -0.322 174.256 174.700 -0.203 0.000 0.990 305 T CA -0.383 61.635 62.100 -0.136 0.000 0.960 305 T CB 1.489 70.287 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 0.569 5.039 4.470 0.000 0.000 0.310 306 S C -0.344 174.098 174.600 -0.263 0.000 1.096 306 S CA -0.598 57.453 58.200 -0.249 0.000 1.095 306 S CB 0.555 63.639 63.200 -0.194 0.000 1.007 306 S HN 0.483 nan 8.310 nan 0.000 0.474 307 V N 6.242 125.970 119.914 -0.310 0.000 2.333 307 V HA 0.386 4.506 4.120 0.000 0.000 0.274 307 V C -0.169 175.945 176.094 0.032 0.000 1.028 307 V CA -0.447 61.780 62.300 -0.121 0.000 0.851 307 V CB 1.126 33.005 31.823 0.094 0.000 1.000 307 V HN 0.815 nan 8.190 nan 0.000 0.456 308 Q N 3.306 123.102 119.800 -0.006 0.000 2.325 308 Q HA 0.674 5.014 4.340 0.000 0.000 0.262 308 Q C -0.103 175.930 176.000 0.055 0.000 0.968 308 Q CA -0.467 55.338 55.803 0.004 0.000 0.877 308 Q CB 2.137 30.841 28.738 -0.056 0.000 1.253 308 Q HN 0.870 nan 8.270 nan 0.000 0.448 309 A N 4.381 127.245 122.820 0.074 0.000 2.354 309 A HA 0.419 4.740 4.320 0.000 0.000 0.281 309 A C -0.335 177.286 177.584 0.062 0.000 1.174 309 A CA -0.272 51.819 52.037 0.089 0.000 0.828 309 A CB 0.002 19.068 19.000 0.109 0.000 1.099 309 A HN 0.751 nan 8.150 nan 0.000 0.516 310 I N 2.515 123.077 120.570 -0.014 0.000 2.359 310 I HA 0.239 4.409 4.170 0.000 0.000 0.294 310 I C -0.655 175.400 176.117 -0.103 0.000 0.987 310 I CA -0.518 60.731 61.300 -0.084 0.000 1.225 310 I CB 1.333 39.135 38.000 -0.330 0.000 1.366 310 I HN 0.728 nan 8.210 nan 0.000 0.466 311 Y N 6.958 127.194 120.300 -0.106 0.000 2.331 311 Y HA 0.544 5.094 4.550 0.000 0.000 0.338 311 Y C -0.899 174.820 175.900 -0.302 0.000 0.976 311 Y CA -0.814 57.166 58.100 -0.200 0.000 1.137 311 Y CB 1.278 39.627 38.460 -0.185 0.000 1.172 311 Y HN 0.253 nan 8.280 nan 0.000 0.478 312 V N 9.770 129.114 119.914 -0.949 0.000 2.350 312 V HA 0.338 4.458 4.120 0.000 0.000 0.276 312 V C -2.039 173.465 176.094 -0.983 0.000 1.028 312 V CA -1.924 59.949 62.300 -0.712 0.000 0.860 312 V CB 0.939 32.529 31.823 -0.388 0.000 0.990 312 V HN 0.711 nan 8.190 nan 0.000 0.453 313 P HA 0.158 nan 4.420 nan 0.000 0.271 313 P C 0.468 177.631 177.300 -0.229 0.000 1.216 313 P CA 0.523 63.357 63.100 -0.443 0.000 0.776 313 P CB 1.050 32.679 31.700 -0.120 0.000 0.881 314 A N 2.892 125.628 122.820 -0.140 0.000 2.765 314 A HA -0.263 4.057 4.320 0.000 0.000 0.286 314 A C 0.904 178.427 177.584 -0.101 0.000 1.457 314 A CA 1.465 53.456 52.037 -0.077 0.000 0.899 314 A CB -2.579 16.404 19.000 -0.029 0.000 0.983 314 A HN 0.600 nan 8.150 nan 0.000 0.584 315 D N -1.636 118.661 120.400 -0.171 0.000 2.983 315 D HA -0.179 4.461 4.640 0.000 0.000 0.225 315 D C -0.232 176.008 176.300 -0.099 0.000 1.174 315 D CA 1.991 55.910 54.000 -0.135 0.000 0.831 315 D CB -0.913 39.838 40.800 -0.081 0.000 1.104 315 D HN 0.889 nan 8.370 nan 0.000 0.421 316 D N 0.276 120.615 120.400 -0.102 0.000 2.456 316 D HA 0.222 4.862 4.640 0.000 0.000 0.219 316 D C 1.414 177.667 176.300 -0.080 0.000 1.126 316 D CA -0.399 53.560 54.000 -0.068 0.000 0.890 316 D CB 0.235 41.014 40.800 -0.034 0.000 1.025 316 D HN 0.136 nan 8.370 nan 0.000 0.511 317 L N 2.517 123.684 121.223 -0.093 0.000 2.551 317 L HA -0.053 4.287 4.340 0.000 0.000 0.228 317 L C 1.987 178.770 176.870 -0.145 0.000 1.153 317 L CA 1.087 55.842 54.840 -0.142 0.000 0.851 317 L CB -0.077 41.871 42.059 -0.185 0.000 0.959 317 L HN 0.458 nan 8.230 nan 0.000 0.451 318 T N -5.078 109.424 114.554 -0.087 0.000 3.145 318 T HA 0.016 4.366 4.350 0.000 0.000 0.255 318 T C 0.567 175.255 174.700 -0.019 0.000 1.039 318 T CA -0.555 61.507 62.100 -0.063 0.000 0.928 318 T CB -0.241 68.599 68.868 -0.047 0.000 1.029 318 T HN 0.127 nan 8.240 nan 0.000 0.554 319 D N 2.291 122.690 120.400 -0.002 0.000 2.424 319 D HA 0.090 4.730 4.640 0.000 0.000 0.244 319 D C -1.464 174.861 176.300 0.042 0.000 1.134 319 D CA -1.718 52.321 54.000 0.065 0.000 0.881 319 D CB 1.846 42.708 40.800 0.103 0.000 1.191 319 D HN -0.018 nan 8.370 nan 0.000 0.445 320 P HA -0.204 nan 4.420 nan 0.000 0.217 320 P C 0.870 178.004 177.300 -0.277 0.000 1.151 320 P CA 1.840 64.883 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 0.005 122.590 122.820 -0.392 0.000 1.835 321 A HA -0.118 4.202 4.320 0.000 0.000 0.215 321 A C -0.018 177.583 177.584 0.029 0.000 1.199 321 A CA 2.265 54.141 52.037 -0.268 0.000 0.615 321 A CB -2.232 16.816 19.000 0.080 0.000 0.838 321 A HN 0.205 nan 8.150 nan 0.000 0.444 322 P HA -0.169 nan 4.420 nan 0.000 0.214 322 P C 1.737 179.155 177.300 0.197 0.000 1.163 322 P CA 2.264 65.471 63.100 0.179 0.000 0.883 322 P CB -0.354 31.401 31.700 0.092 0.000 0.788 323 A N -0.469 122.384 122.820 0.055 0.000 1.903 323 A HA -0.255 4.065 4.320 0.000 0.000 0.219 323 A C 2.415 180.059 177.584 0.100 0.000 1.191 323 A CA 3.022 55.074 52.037 0.025 0.000 0.638 323 A CB -2.081 16.908 19.000 -0.019 0.000 0.823 323 A HN 0.213 nan 8.150 nan 0.000 0.451 324 T N -0.194 114.404 114.554 0.072 0.000 2.652 324 T HA -0.142 4.208 4.350 0.000 0.000 0.267 324 T C 2.050 176.866 174.700 0.193 0.000 1.039 324 T CA 2.122 64.277 62.100 0.092 0.000 1.153 324 T CB -0.718 68.174 68.868 0.040 0.000 0.863 324 T HN 0.638 nan 8.240 nan 0.000 0.428 325 T N 1.715 116.402 114.554 0.222 0.000 2.699 325 T HA -0.115 4.235 4.350 0.000 0.000 0.268 325 T C 1.538 176.399 174.700 0.269 0.000 1.036 325 T CA 1.178 63.430 62.100 0.254 0.000 1.147 325 T CB -0.615 68.378 68.868 0.209 0.000 0.862 325 T HN 0.275 nan 8.240 nan 0.000 0.446 326 F N 1.579 121.585 119.950 0.093 0.000 2.494 326 F HA 0.142 4.669 4.527 0.000 0.000 0.298 326 F C 2.444 178.263 175.800 0.031 0.000 1.106 326 F CA -0.025 58.021 58.000 0.076 0.000 1.452 326 F CB -0.750 38.289 39.000 0.064 0.000 1.085 326 F HN 0.151 nan 8.300 nan 0.000 0.569 327 A N -0.909 122.001 122.820 0.150 0.000 2.024 327 A HA -0.197 4.123 4.320 0.000 0.000 0.220 327 A C 1.890 179.338 177.584 -0.226 0.000 1.164 327 A CA 1.717 53.711 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 -1.218 117.870 119.070 0.029 0.000 2.654 328 H HA 0.272 4.829 4.556 0.000 0.000 0.264 328 H C 0.136 175.435 175.328 -0.049 0.000 0.954 328 H CA -0.095 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 0.330 nan 8.280 nan 0.000 0.516 329 L N 2.060 123.293 121.223 0.015 0.000 2.416 329 L HA 0.035 4.375 4.340 0.000 0.000 0.272 329 L C 0.793 177.623 176.870 -0.067 0.000 1.161 329 L CA 0.166 54.955 54.840 -0.085 0.000 0.845 329 L CB 0.775 42.685 42.059 -0.248 0.000 1.119 329 L HN 0.058 nan 8.230 nan 0.000 0.464 330 D N 1.992 122.344 120.400 -0.080 0.000 2.398 330 D HA 0.350 4.990 4.640 0.000 0.000 0.210 330 D C 0.261 176.522 176.300 -0.066 0.000 1.094 330 D CA 0.382 54.347 54.000 -0.059 0.000 0.839 330 D CB 1.295 42.062 40.800 -0.055 0.000 0.963 330 D HN 0.616 nan 8.370 nan 0.000 0.506 331 A N 0.300 123.055 122.820 -0.108 0.000 2.581 331 A HA 0.476 4.796 4.320 0.000 0.000 0.294 331 A C -0.801 176.690 177.584 -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 -1.105 113.363 114.554 -0.144 0.000 2.841 332 T HA 0.759 5.109 4.350 0.000 0.000 0.283 332 T C -0.563 174.064 174.700 -0.122 0.000 1.000 332 T CA -0.487 61.487 62.100 -0.210 0.000 0.977 332 T CB 1.759 70.374 68.868 -0.422 0.000 0.979 332 T HN 0.784 nan 8.240 nan 0.000 0.446 333 T N 2.981 117.501 114.554 -0.057 0.000 2.893 333 T HA 0.435 4.785 4.350 0.000 0.000 0.324 333 T C -0.197 174.520 174.700 0.029 0.000 1.082 333 T CA -0.487 61.648 62.100 0.058 0.000 0.983 333 T CB 0.397 69.387 68.868 0.204 0.000 1.005 333 T HN 0.656 nan 8.240 nan 0.000 0.475 334 V N 6.082 125.968 119.914 -0.046 0.000 2.339 334 V HA 0.308 4.428 4.120 0.000 0.000 0.261 334 V C 0.494 176.619 176.094 0.052 0.000 1.058 334 V CA -0.702 61.591 62.300 -0.012 0.000 0.897 334 V CB 0.143 31.908 31.823 -0.097 0.000 1.052 334 V HN 0.735 nan 8.190 nan 0.000 0.480 335 L N 4.119 125.404 121.223 0.105 0.000 2.367 335 L HA 0.369 4.709 4.340 0.000 0.000 0.275 335 L C 0.617 177.508 176.870 0.035 0.000 1.129 335 L CA 0.495 55.373 54.840 0.063 0.000 0.839 335 L CB 1.360 43.470 42.059 0.085 0.000 1.133 335 L HN 0.708 nan 8.230 nan 0.000 0.453 336 S N 3.259 118.949 115.700 -0.016 0.000 2.519 336 S HA 0.340 4.810 4.470 0.000 0.000 0.309 336 S C 0.851 175.416 174.600 -0.058 0.000 1.100 336 S CA -0.766 57.420 58.200 -0.023 0.000 1.059 336 S CB 1.496 64.680 63.200 -0.028 0.000 1.008 336 S HN 0.674 nan 8.310 nan 0.000 0.478 337 R N 2.734 123.215 120.500 -0.032 0.000 2.120 337 R HA -0.073 4.267 4.340 0.000 0.000 0.234 337 R C 2.267 178.541 176.300 -0.043 0.000 1.123 337 R CA 1.534 57.612 56.100 -0.036 0.000 0.975 337 R CB -0.405 29.892 30.300 -0.005 0.000 0.866 337 R HN 0.783 nan 8.270 nan 0.000 0.446 338 A N 1.243 124.042 122.820 -0.034 0.000 1.873 338 A HA -0.135 4.185 4.320 0.000 0.000 0.215 338 A C 2.004 179.562 177.584 -0.042 0.000 1.186 338 A CA 1.015 53.035 52.037 -0.029 0.000 0.616 338 A CB -0.310 18.676 19.000 -0.023 0.000 0.823 338 A HN 0.089 nan 8.150 nan 0.000 0.442 339 I N 0.176 120.709 120.570 -0.062 0.000 2.163 339 I HA -0.272 3.898 4.170 0.000 0.000 0.243 339 I C 2.994 179.034 176.117 -0.127 0.000 1.085 339 I CA 1.506 62.761 61.300 -0.075 0.000 1.347 339 I CB -1.648 36.299 38.000 -0.088 0.000 1.044 339 I HN 0.375 nan 8.210 nan 0.000 0.408 340 A N 0.473 123.157 122.820 -0.228 0.000 1.892 340 A HA -0.259 4.061 4.320 0.000 0.000 0.218 340 A C 2.231 179.768 177.584 -0.077 0.000 1.188 340 A CA 1.927 53.741 52.037 -0.373 0.000 0.631 340 A CB -0.842 17.924 19.000 -0.390 0.000 0.822 340 A HN 0.494 nan 8.150 nan 0.000 0.447 341 E N -0.491 119.691 120.200 -0.030 0.000 2.331 341 E HA -0.121 4.229 4.350 0.000 0.000 0.199 341 E C 1.404 178.023 176.600 0.032 0.000 1.008 341 E CA 0.686 57.098 56.400 0.020 0.000 0.843 341 E CB -0.238 29.467 29.700 0.008 0.000 0.761 341 E HN 0.671 nan 8.360 nan 0.000 0.507 342 L N -0.921 120.316 121.223 0.024 0.000 2.599 342 L HA 0.102 4.442 4.340 0.000 0.000 0.230 342 L C 1.640 178.561 176.870 0.085 0.000 1.141 342 L CA 0.476 55.342 54.840 0.043 0.000 0.877 342 L CB -0.083 42.005 42.059 0.049 0.000 1.009 342 L HN 0.310 nan 8.230 nan 0.000 0.447 343 G N 0.668 109.551 108.800 0.140 0.000 2.253 343 G HA2 -0.297 3.663 3.960 0.000 0.000 0.251 343 G HA3 -0.297 3.663 3.960 0.000 0.000 0.251 343 G C 0.442 175.608 174.900 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 0.258 0.000 2.741 344 I HA 0.285 4.455 4.170 0.000 0.000 0.288 344 I C 0.107 176.244 176.117 0.033 0.000 1.192 344 I CA 0.615 62.033 61.300 0.197 0.000 1.426 344 I CB -0.003 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 6.648 126.918 120.300 -0.050 0.000 2.482 345 Y HA 0.298 4.848 4.550 0.000 0.000 0.334 345 Y C -2.306 173.435 175.900 -0.265 0.000 1.091 345 Y CA -2.269 55.736 58.100 -0.158 0.000 1.027 345 Y CB 1.914 40.250 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 -0.070 177.171 177.300 -0.099 0.000 1.193 346 P CA 0.142 63.187 63.100 -0.091 0.000 0.765 346 P CB 0.842 32.559 31.700 0.027 0.000 0.823 347 A N 3.645 126.325 122.820 -0.234 0.000 2.223 347 A HA 0.115 4.435 4.320 0.000 0.000 0.222 347 A C 0.686 178.201 177.584 -0.116 0.000 1.317 347 A CA -0.080 51.785 52.037 -0.287 0.000 0.985 347 A CB -1.035 17.672 19.000 -0.488 0.000 0.858 347 A HN 0.408 nan 8.150 nan 0.000 0.496 348 V N 1.071 120.959 119.914 -0.044 0.000 2.740 348 V HA 0.021 4.141 4.120 0.000 0.000 0.303 348 V C 0.359 176.440 176.094 -0.021 0.000 1.054 348 V CA -0.141 62.156 62.300 -0.005 0.000 1.106 348 V CB 1.124 32.964 31.823 0.028 0.000 0.957 348 V HN 0.552 nan 8.190 nan 0.000 0.486 349 D N 6.847 127.235 120.400 -0.019 0.000 2.347 349 D HA 0.246 4.886 4.640 0.000 0.000 0.235 349 D C -1.352 174.930 176.300 -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 -0.058 nan 4.420 nan 0.000 0.230 350 P C 1.137 178.412 177.300 -0.043 0.000 1.158 350 P CA 0.683 63.757 63.100 -0.043 0.000 0.769 350 P CB 0.522 32.195 31.700 -0.044 0.000 0.807 351 L N -1.689 119.514 121.223 -0.034 0.000 2.642 351 L HA 0.206 4.546 4.340 0.000 0.000 0.233 351 L C 1.652 178.500 176.870 -0.037 0.000 1.077 351 L CA 0.449 55.270 54.840 -0.033 0.000 0.879 351 L CB -0.212 41.832 42.059 -0.025 0.000 1.151 351 L HN -0.204 nan 8.230 nan 0.000 0.495 352 D N -0.370 120.005 120.400 -0.042 0.000 2.301 352 D HA 0.035 4.675 4.640 0.000 0.000 0.206 352 D C 0.733 176.981 176.300 -0.087 0.000 0.979 352 D CA 0.376 54.342 54.000 -0.057 0.000 0.874 352 D CB 0.406 41.175 40.800 -0.052 0.000 0.968 352 D HN -0.014 nan 8.370 nan 0.000 0.510 353 S N 0.066 115.720 115.700 -0.077 0.000 2.564 353 S HA 0.406 4.876 4.470 0.000 0.000 0.278 353 S C 0.500 175.061 174.600 -0.065 0.000 1.333 353 S CA -0.254 57.894 58.200 -0.088 0.000 1.048 353 S CB 1.121 64.296 63.200 -0.042 0.000 0.900 353 S HN 0.335 nan 8.310 nan 0.000 0.505 354 T N -1.013 113.497 114.554 -0.073 0.000 2.838 354 T HA 0.792 5.142 4.350 0.000 0.000 0.292 354 T C -0.688 174.002 174.700 -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 -1.386 114.313 115.700 -0.002 0.000 2.543 355 S HA 0.419 4.889 4.470 0.000 0.000 0.271 355 S C 0.580 175.182 174.600 0.004 0.000 1.148 355 S CA -0.788 57.415 58.200 0.004 0.000 0.914 355 S CB 1.767 64.981 63.200 0.024 0.000 1.096 355 S HN 0.790 nan 8.310 nan 0.000 0.471 356 R N 2.077 122.575 120.500 -0.004 0.000 2.092 356 R HA 0.063 4.404 4.340 0.000 0.000 0.231 356 R C 1.818 178.111 176.300 -0.010 0.000 1.119 356 R CA 1.795 57.892 56.100 -0.004 0.000 0.970 356 R CB -0.421 29.874 30.300 -0.009 0.000 0.864 356 R HN 0.817 nan 8.270 nan 0.000 0.440 357 I N -1.792 118.769 120.570 -0.014 0.000 3.605 357 I HA 0.049 4.219 4.170 0.000 0.000 0.301 357 I C 0.514 176.606 176.117 -0.042 0.000 1.267 357 I CA 0.349 61.633 61.300 -0.028 0.000 1.236 357 I CB -0.007 37.978 38.000 -0.024 0.000 1.010 357 I HN 0.005 nan 8.210 nan 0.000 0.491 358 M N 3.008 122.600 119.600 -0.012 0.000 3.422 358 M HA 0.232 4.712 4.480 0.000 0.000 0.248 358 M C -1.000 175.348 176.300 0.081 0.000 1.433 358 M CA 0.481 55.801 55.300 0.033 0.000 1.592 358 M CB -1.009 31.627 32.600 0.061 0.000 1.078 358 M HN 0.252 nan 8.290 nan 0.000 0.578 359 D N 2.466 122.828 120.400 -0.063 0.000 2.757 359 D HA 0.401 5.041 4.640 0.000 0.000 0.249 359 D C -1.836 174.292 176.300 -0.287 0.000 1.168 359 D CA -1.571 52.277 54.000 -0.254 0.000 0.870 359 D CB 2.369 43.073 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 0.410 177.622 177.300 -0.146 0.000 1.148 360 P CA 1.072 64.004 63.100 -0.279 0.000 0.828 360 P CB 0.228 31.714 31.700 -0.357 0.000 0.783 361 N N -1.128 117.470 118.700 -0.169 0.000 2.571 361 N HA 0.028 4.768 4.740 0.000 0.000 0.189 361 N C 1.516 176.984 175.510 -0.070 0.000 1.154 361 N CA 0.554 53.545 53.050 -0.098 0.000 0.907 361 N CB -0.213 38.216 38.487 -0.096 0.000 0.977 361 N HN 0.271 nan 8.380 nan 0.000 0.449 362 I N -2.066 118.458 120.570 -0.076 0.000 4.578 362 I HA 0.001 4.171 4.170 0.000 0.000 0.312 362 I C 1.203 177.300 176.117 -0.034 0.000 1.224 362 I CA 0.203 61.473 61.300 -0.050 0.000 1.318 362 I CB 0.430 38.397 38.000 -0.055 0.000 1.388 362 I HN -0.041 nan 8.210 nan 0.000 0.461 363 V N -1.089 118.795 119.914 -0.051 0.000 3.660 363 V HA 0.603 4.723 4.120 0.000 0.000 0.276 363 V C 0.860 176.998 176.094 0.073 0.000 1.317 363 V CA 0.168 62.447 62.300 -0.036 0.000 1.097 363 V CB -0.619 31.023 31.823 -0.302 0.000 0.863 363 V HN 0.448 nan 8.190 nan 0.000 0.438 364 G N 0.974 109.803 108.800 0.048 0.000 2.879 364 G HA2 -0.140 3.820 3.960 0.000 0.000 0.686 364 G HA3 -0.140 3.820 3.960 0.000 0.000 0.686 364 G C 0.485 175.467 174.900 0.137 0.000 1.115 364 G CA 0.498 45.645 45.100 0.079 0.000 0.770 364 G HN 1.212 nan 8.290 nan 0.000 0.601 365 S N 0.439 116.206 115.700 0.111 0.000 2.381 365 S HA -0.257 4.213 4.470 0.000 0.000 0.230 365 S C 1.898 176.612 174.600 0.190 0.000 1.052 365 S CA 2.495 60.791 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 0.993 nan 8.310 nan 0.000 0.448 366 E N 0.080 120.369 120.200 0.148 0.000 2.005 366 E HA -0.299 4.051 4.350 0.000 0.000 0.198 366 E C 2.041 178.751 176.600 0.182 0.000 1.010 366 E CA 1.660 58.139 56.400 0.132 0.000 0.825 366 E CB -0.709 29.051 29.700 0.100 0.000 0.769 366 E HN 0.880 nan 8.360 nan 0.000 0.456 367 H N -1.391 117.728 119.070 0.083 0.000 2.292 367 H HA -0.268 4.288 4.556 0.000 0.000 0.292 367 H C 2.262 177.635 175.328 0.075 0.000 1.100 367 H CA 2.091 58.182 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 1.546 121.936 120.300 0.150 0.000 2.165 368 Y HA -0.249 4.301 4.550 0.000 0.000 0.286 368 Y C 2.019 177.954 175.900 0.059 0.000 1.155 368 Y CA 1.993 60.117 58.100 0.040 0.000 1.164 368 Y CB -0.287 38.171 38.460 -0.003 0.000 0.978 368 Y HN 0.369 nan 8.280 nan 0.000 0.513 369 D N -0.845 119.578 120.400 0.039 0.000 2.149 369 D HA -0.142 4.498 4.640 0.000 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 -0.378 40.456 40.800 0.056 0.000 0.966 369 D HN 0.312 nan 8.370 nan 0.000 0.476 370 V N 1.814 121.734 119.914 0.010 0.000 2.261 370 V HA -0.260 3.860 4.120 0.000 0.000 0.246 370 V C 2.628 178.702 176.094 -0.033 0.000 1.047 370 V CA 1.908 64.221 62.300 0.022 0.000 1.015 370 V CB -0.936 30.924 31.823 0.061 0.000 0.642 370 V HN 0.169 nan 8.190 nan 0.000 0.446 371 A N 0.202 122.996 122.820 -0.043 0.000 1.873 371 A HA -0.258 4.062 4.320 0.000 0.000 0.218 371 A C 2.255 179.741 177.584 -0.164 0.000 1.193 371 A CA 1.944 53.922 52.037 -0.098 0.000 0.629 371 A CB -0.565 18.406 19.000 -0.049 0.000 0.826 371 A HN 0.426 nan 8.150 nan 0.000 0.447 372 R N -0.426 119.911 120.500 -0.273 0.000 2.285 372 R HA -0.074 4.267 4.340 0.000 0.000 0.213 372 R C 2.096 178.315 176.300 -0.136 0.000 1.068 372 R CA 1.003 56.945 56.100 -0.264 0.000 1.004 372 R CB -1.120 28.921 30.300 -0.432 0.000 0.873 372 R HN 0.586 nan 8.270 nan 0.000 0.467 373 G N -0.014 108.730 108.800 -0.094 0.000 2.411 373 G HA2 -0.105 3.855 3.960 0.000 0.000 0.213 373 G HA3 -0.105 3.855 3.960 0.000 0.000 0.213 373 G C 1.509 176.400 174.900 -0.015 0.000 1.166 373 G CA 0.198 45.277 45.100 -0.035 0.000 0.802 373 G HN 0.106 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 3.837 4.120 0.000 0.000 0.248 374 V C 2.898 178.978 176.094 -0.025 0.000 1.053 374 V CA 2.301 64.590 62.300 -0.019 0.000 1.027 374 V CB -0.725 31.021 31.823 -0.129 0.000 0.646 374 V HN 0.406 nan 8.190 nan 0.000 0.447 375 Q N -0.183 119.585 119.800 -0.054 0.000 2.046 375 Q HA -0.246 4.094 4.340 0.000 0.000 0.200 375 Q C 2.368 178.359 176.000 -0.014 0.000 0.975 375 Q CA 1.825 57.605 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 0.791 121.179 120.400 -0.019 0.000 2.009 376 K HA -0.215 4.105 4.320 0.000 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 1.435 122.021 120.570 0.027 0.000 2.151 377 I HA -0.277 3.893 4.170 0.000 0.000 0.243 377 I C 1.876 178.047 176.117 0.090 0.000 1.080 377 I CA 1.452 62.781 61.300 0.049 0.000 1.339 377 I CB -0.142 37.881 38.000 0.038 0.000 1.039 377 I HN 0.262 nan 8.210 nan 0.000 0.409 378 L N -0.653 120.619 121.223 0.081 0.000 2.131 378 L HA -0.260 4.080 4.340 0.000 0.000 0.210 378 L C 2.475 179.399 176.870 0.089 0.000 1.092 378 L CA 1.323 56.233 54.840 0.117 0.000 0.759 378 L CB -0.567 41.534 42.059 0.069 0.000 0.903 378 L HN 0.392 nan 8.230 nan 0.000 0.435 379 Q N -0.395 119.434 119.800 0.048 0.000 2.020 379 Q HA -0.173 4.168 4.340 0.000 0.000 0.198 379 Q C 1.883 177.902 176.000 0.032 0.000 0.974 379 Q CA 1.409 57.224 55.803 0.021 0.000 0.829 379 Q CB 0.050 28.793 28.738 0.008 0.000 0.894 379 Q HN 0.453 nan 8.270 nan 0.000 0.433 380 D N 0.036 120.470 120.400 0.055 0.000 2.116 380 D HA -0.214 4.426 4.640 0.000 0.000 0.193 380 D C 1.748 178.112 176.300 0.108 0.000 0.998 380 D CA 1.200 55.239 54.000 0.065 0.000 0.836 380 D CB -0.427 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 2.116 122.416 120.300 -0.000 0.000 2.151 381 Y HA -0.226 4.324 4.550 0.000 0.000 0.284 381 Y C 2.199 178.099 175.900 0.000 0.000 1.166 381 Y CA 1.466 59.567 58.100 0.001 0.000 1.163 381 Y CB -0.362 38.100 38.460 0.003 0.000 0.974 381 Y HN -0.157 nan 8.280 nan 0.000 0.511 382 K N -0.292 120.015 120.400 -0.155 0.000 2.074 382 K HA -0.204 4.116 4.320 0.000 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 32.197 32.500 -0.124 0.000 0.713 382 K HN 0.352 nan 8.250 nan 0.000 0.444 383 S N 1.323 116.984 115.700 -0.065 0.000 2.365 383 S HA -0.167 4.303 4.470 0.000 0.000 0.221 383 S C 1.877 176.458 174.600 -0.033 0.000 1.037 383 S CA 1.503 59.682 58.200 -0.035 0.000 1.060 383 S CB -0.393 62.805 63.200 -0.003 0.000 0.974 383 S HN 0.263 nan 8.310 nan 0.000 0.427 384 L N 1.483 122.706 121.223 0.000 0.000 2.129 384 L HA -0.214 4.126 4.340 0.000 0.000 0.212 384 L C 2.775 179.642 176.870 -0.005 0.000 1.087 384 L CA 1.191 56.048 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 0.114 119.853 119.800 -0.102 0.000 2.156 385 Q HA -0.287 4.053 4.340 0.000 0.000 0.211 385 Q C 1.763 177.723 176.000 -0.066 0.000 0.995 385 Q CA 2.138 57.854 55.803 -0.144 0.000 0.877 385 Q CB -0.041 28.524 28.738 -0.288 0.000 0.920 385 Q HN 0.527 nan 8.270 nan 0.000 0.416 386 D N -0.232 120.135 120.400 -0.055 0.000 2.117 386 D HA -0.122 4.518 4.640 0.000 0.000 0.198 386 D C 1.770 178.062 176.300 -0.013 0.000 0.982 386 D CA 0.795 54.775 54.000 -0.033 0.000 0.828 386 D CB -0.138 40.644 40.800 -0.030 0.000 0.967 386 D HN 0.174 nan 8.370 nan 0.000 0.464 387 I N 0.950 121.517 120.570 -0.005 0.000 2.113 387 I HA -0.253 3.917 4.170 0.000 0.000 0.238 387 I C 2.116 178.241 176.117 0.013 0.000 1.070 387 I CA 0.624 61.928 61.300 0.007 0.000 1.332 387 I CB -0.263 37.745 38.000 0.013 0.000 1.044 387 I HN -0.029 nan 8.210 nan 0.000 0.402 388 I N 0.895 121.479 120.570 0.024 0.000 2.103 388 I HA -0.406 3.764 4.170 0.000 0.000 0.241 388 I C 2.651 178.782 176.117 0.023 0.000 1.036 388 I CA 2.124 63.444 61.300 0.034 0.000 1.300 388 I CB -2.018 36.017 38.000 0.058 0.000 1.010 388 I HN 0.286 nan 8.210 nan 0.000 0.406 389 A N 0.173 123.002 122.820 0.014 0.000 1.933 389 A HA -0.130 4.190 4.320 0.000 0.000 0.218 389 A C 2.208 179.796 177.584 0.007 0.000 1.175 389 A CA 1.360 53.402 52.037 0.009 0.000 0.628 389 A CB -0.364 18.636 19.000 0.000 0.000 0.814 389 A HN 0.331 nan 8.150 nan 0.000 0.444 390 I N -0.306 120.267 120.570 0.005 0.000 2.490 390 I HA -0.027 4.143 4.170 0.000 0.000 0.234 390 I C 2.058 178.179 176.117 0.006 0.000 1.066 390 I CA 0.873 62.175 61.300 0.004 0.000 1.405 390 I CB -1.614 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 1.007 122.234 121.223 0.007 0.000 2.650 391 L HA 0.312 4.652 4.340 0.000 0.000 0.235 391 L C 0.798 177.674 176.870 0.011 0.000 1.149 391 L CA 0.155 55.000 54.840 0.008 0.000 0.887 391 L CB -1.414 40.649 42.059 0.008 0.000 1.021 391 L HN 0.464 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 3.685 3.960 0.000 0.000 0.686 392 G HA3 -0.275 3.685 3.960 0.000 0.000 0.686 392 G C 0.085 174.997 174.900 0.020 0.000 1.309 392 G CA -0.486 44.624 45.100 0.016 0.000 0.904 392 G HN 0.127 nan 8.290 nan 0.000 0.593 393 M N 0.848 120.463 119.600 0.024 0.000 2.873 393 M HA -0.048 4.432 4.480 0.000 0.000 0.208 393 M C 0.863 177.177 176.300 0.024 0.000 0.965 393 M CA 1.235 56.553 55.300 0.029 0.000 1.103 393 M CB -0.332 32.286 32.600 0.031 0.000 1.620 393 M HN 0.587 nan 8.290 nan 0.000 0.534 394 D N -1.122 119.289 120.400 0.019 0.000 2.486 394 D HA 0.007 4.647 4.640 0.000 0.000 0.243 394 D C 1.185 177.494 176.300 0.015 0.000 1.146 394 D CA 0.065 54.075 54.000 0.016 0.000 0.821 394 D CB 0.397 41.205 40.800 0.013 0.000 1.201 394 D HN 0.299 nan 8.370 nan 0.000 0.525 395 E N 0.941 121.150 120.200 0.015 0.000 2.515 395 E HA -0.014 4.336 4.350 0.000 0.000 0.201 395 E C 0.442 177.051 176.600 0.014 0.000 1.071 395 E CA 0.018 56.426 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 0.377 nan 8.360 nan 0.000 0.540 396 L N 2.482 123.715 121.223 0.017 0.000 2.628 396 L HA -0.063 4.277 4.340 0.000 0.000 0.274 396 L C 0.974 177.853 176.870 0.015 0.000 1.209 396 L CA 0.073 54.925 54.840 0.019 0.000 0.930 396 L CB -0.025 42.047 42.059 0.023 0.000 1.183 396 L HN 0.027 nan 8.230 nan 0.000 0.492 397 S N 1.676 117.385 115.700 0.014 0.000 2.603 397 S HA 0.113 4.583 4.470 0.000 0.000 0.268 397 S C 0.899 175.505 174.600 0.009 0.000 1.317 397 S CA -0.809 57.398 58.200 0.011 0.000 1.012 397 S CB 1.341 64.548 63.200 0.011 0.000 0.926 397 S HN 0.674 nan 8.310 nan 0.000 0.539 398 E N 0.743 120.947 120.200 0.008 0.000 2.284 398 E HA -0.226 4.124 4.350 0.000 0.000 0.200 398 E C 1.640 178.243 176.600 0.005 0.000 1.008 398 E CA 1.660 58.064 56.400 0.006 0.000 0.829 398 E CB -0.037 29.666 29.700 0.005 0.000 0.744 398 E HN 0.758 nan 8.360 nan 0.000 0.491 399 E N 0.132 120.336 120.200 0.006 0.000 2.057 399 E HA -0.092 4.258 4.350 0.000 0.000 0.190 399 E C 1.609 178.214 176.600 0.008 0.000 0.969 399 E CA 0.344 56.748 56.400 0.006 0.000 0.812 399 E CB 0.162 29.867 29.700 0.008 0.000 0.777 399 E HN 0.105 nan 8.360 nan 0.000 0.455 400 D N 0.924 121.332 120.400 0.013 0.000 2.263 400 D HA -0.100 4.540 4.640 0.000 0.000 0.208 400 D C 1.379 177.688 176.300 0.016 0.000 0.971 400 D CA 0.954 54.966 54.000 0.020 0.000 0.867 400 D CB 0.116 40.931 40.800 0.025 0.000 0.929 400 D HN 0.100 nan 8.370 nan 0.000 0.492 401 K N -0.389 120.016 120.400 0.007 0.000 2.361 401 K HA 0.023 4.343 4.320 0.000 0.000 0.196 401 K C 1.635 178.224 176.600 -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 0.032 nan 8.250 nan 0.000 0.495 402 L N 1.049 122.263 121.223 -0.015 0.000 2.202 402 L HA -0.081 4.259 4.340 0.000 0.000 0.205 402 L C 2.557 179.403 176.870 -0.040 0.000 1.083 402 L CA 1.615 56.441 54.840 -0.024 0.000 0.790 402 L CB -0.557 41.494 42.059 -0.013 0.000 0.942 402 L HN 0.242 nan 8.230 nan 0.000 0.452 403 T N -3.771 110.768 114.554 -0.025 0.000 2.788 403 T HA -0.159 4.191 4.350 0.000 0.000 0.268 403 T C 1.818 176.468 174.700 -0.085 0.000 1.044 403 T CA 1.628 63.712 62.100 -0.025 0.000 1.139 403 T CB -0.918 67.959 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 0.000 0.000 0.243 404 V C 3.216 179.120 176.094 -0.316 0.000 1.042 404 V CA 2.102 64.242 62.300 -0.266 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 1.569 117.165 115.700 -0.172 0.000 2.389 405 S HA -0.381 4.089 4.470 0.000 0.000 0.229 405 S C 2.045 176.549 174.600 -0.161 0.000 1.048 405 S CA 2.330 60.449 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 2.001 122.417 120.500 -0.140 0.000 2.080 406 R HA 0.005 4.345 4.340 0.000 0.000 0.236 406 R C 2.919 179.121 176.300 -0.164 0.000 1.137 406 R CA 1.372 57.386 56.100 -0.144 0.000 0.943 406 R CB -1.152 29.096 30.300 -0.087 0.000 0.846 406 R HN 0.606 nan 8.270 nan 0.000 0.431 407 A N 1.836 124.550 122.820 -0.177 0.000 1.917 407 A HA -0.229 4.091 4.320 0.000 0.000 0.219 407 A C 2.125 179.591 177.584 -0.196 0.000 1.182 407 A CA 1.663 53.599 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 0.293 nan 8.150 nan 0.000 0.448 408 R N -0.486 119.813 120.500 -0.335 0.000 2.148 408 R HA -0.051 4.289 4.340 0.000 0.000 0.227 408 R C 2.030 178.262 176.300 -0.113 0.000 1.103 408 R CA 1.325 57.296 56.100 -0.215 0.000 0.983 408 R CB -0.263 29.901 30.300 -0.227 0.000 0.874 408 R HN 0.533 nan 8.270 nan 0.000 0.451 409 K N 0.746 121.025 120.400 -0.201 0.000 2.076 409 K HA 0.020 4.340 4.320 0.000 0.000 0.204 409 K C 2.139 178.530 176.600 -0.349 0.000 1.051 409 K CA 0.874 56.917 56.287 -0.406 0.000 0.949 409 K CB -0.027 32.049 32.500 -0.706 0.000 0.726 409 K HN 0.080 nan 8.250 nan 0.000 0.443 410 I N 1.390 121.862 120.570 -0.164 0.000 2.099 410 I HA -0.355 3.815 4.170 0.000 0.000 0.239 410 I C 2.708 178.955 176.117 0.216 0.000 1.066 410 I CA 1.429 62.792 61.300 0.106 0.000 1.324 410 I CB -0.307 37.789 38.000 0.160 0.000 1.037 410 I HN 0.279 nan 8.210 nan 0.000 0.401 411 Q N 0.543 120.422 119.800 0.132 0.000 2.156 411 Q HA -0.265 4.075 4.340 0.000 0.000 0.211 411 Q C 2.394 178.506 176.000 0.186 0.000 0.995 411 Q CA 1.914 57.809 55.803 0.153 0.000 0.877 411 Q CB 0.019 28.842 28.738 0.143 0.000 0.920 411 Q HN 0.437 nan 8.270 nan 0.000 0.416 412 R N -0.871 119.743 120.500 0.189 0.000 2.062 412 R HA -0.100 4.240 4.340 0.000 0.000 0.229 412 R C 2.158 178.645 176.300 0.312 0.000 1.128 412 R CA 0.977 57.244 56.100 0.278 0.000 0.960 412 R CB -0.646 29.843 30.300 0.316 0.000 0.855 412 R HN 0.263 nan 8.270 nan 0.000 0.432 413 F N 2.064 122.050 119.950 0.060 0.000 2.307 413 F HA -0.067 4.460 4.527 0.000 0.000 0.301 413 F C 1.770 177.700 175.800 0.217 0.000 1.076 413 F CA 0.899 58.894 58.000 -0.010 0.000 1.383 413 F CB -0.232 38.500 39.000 -0.447 0.000 1.055 413 F HN -0.089 nan 8.300 nan 0.000 0.526 414 L N -0.388 121.023 121.223 0.314 0.000 2.552 414 L HA -0.008 4.332 4.340 0.000 0.000 0.227 414 L C 1.351 178.271 176.870 0.084 0.000 1.146 414 L CA 0.314 55.282 54.840 0.214 0.000 0.858 414 L CB -0.634 41.512 42.059 0.144 0.000 0.969 414 L HN 0.121 nan 8.230 nan 0.000 0.451 415 S N -0.686 115.067 115.700 0.089 0.000 2.669 415 S HA 0.524 4.994 4.470 0.000 0.000 0.270 415 S C -0.393 174.189 174.600 -0.030 0.000 1.225 415 S CA -0.547 57.667 58.200 0.023 0.000 0.991 415 S CB 2.135 65.344 63.200 0.015 0.000 0.987 415 S HN 0.237 nan 8.310 nan 0.000 0.552 416 Q N -0.161 119.586 119.800 -0.088 0.000 2.617 416 Q HA 0.323 4.663 4.340 0.000 0.000 0.270 416 Q C -3.272 172.666 176.000 -0.103 0.000 0.967 416 Q CA -1.553 54.218 55.803 -0.053 0.000 0.887 416 Q CB 2.002 30.773 28.738 0.055 0.000 1.516 416 Q HN 0.546 nan 8.270 nan 0.000 0.395 417 P HA 0.246 nan 4.420 nan 0.000 0.282 417 P C -1.056 176.375 177.300 0.218 0.000 1.262 417 P CA -0.040 63.058 63.100 -0.004 0.000 0.773 417 P CB 0.154 31.869 31.700 0.024 0.000 0.879 418 F N 1.978 121.923 119.950 -0.009 0.000 2.399 418 F HA 0.273 4.800 4.527 0.000 0.000 0.334 418 F C 1.948 177.761 175.800 0.022 0.000 1.097 418 F CA -0.884 57.120 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 1.286 121.196 119.800 0.183 0.000 2.291 419 Q HA -0.067 4.273 4.340 0.000 0.000 0.205 419 Q C 1.928 178.002 176.000 0.125 0.000 0.970 419 Q CA 0.780 56.651 55.803 0.112 0.000 0.876 419 Q CB -0.066 28.703 28.738 0.052 0.000 0.935 419 Q HN 0.537 nan 8.270 nan 0.000 0.455 420 V N 0.489 120.489 119.914 0.143 0.000 2.515 420 V HA -0.141 3.980 4.120 0.000 0.000 0.250 420 V C 1.198 177.400 176.094 0.180 0.000 1.058 420 V CA 1.420 63.801 62.300 0.136 0.000 1.064 420 V CB -0.386 31.504 31.823 0.112 0.000 0.675 420 V HN 0.299 nan 8.190 nan 0.000 0.461 421 A N -0.563 122.371 122.820 0.190 0.000 3.245 421 A HA 0.388 4.708 4.320 0.000 0.000 0.282 421 A C 1.124 178.844 177.584 0.227 0.000 1.417 421 A CA -0.204 51.941 52.037 0.181 0.000 1.149 421 A CB -0.176 18.832 19.000 0.013 0.000 1.155 421 A HN 0.507 nan 8.150 nan 0.000 0.602 422 E N -0.420 119.923 120.200 0.239 0.000 2.332 422 E HA -0.004 4.346 4.350 0.000 0.000 0.202 422 E C 1.303 177.984 176.600 0.134 0.000 0.877 422 E CA 0.431 56.928 56.400 0.162 0.000 0.979 422 E CB 0.388 30.153 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 3.919 4.120 0.000 0.000 0.265 423 V C 1.218 177.172 176.094 -0.234 0.000 1.122 423 V CA 1.616 63.862 62.300 -0.090 0.000 1.143 423 V CB -0.526 31.147 31.823 -0.249 0.000 0.726 423 V HN 0.199 nan 8.190 nan 0.000 0.507 424 F N -0.368 119.592 119.950 0.017 0.000 2.531 424 F HA 0.079 4.606 4.527 0.000 0.000 0.273 424 F C 2.462 178.280 175.800 0.029 0.000 0.960 424 F CA 0.871 58.879 58.000 0.013 0.000 1.207 424 F CB -1.014 37.984 39.000 -0.002 0.000 1.012 424 F HN 0.086 nan 8.300 nan 0.000 0.738 425 T N -2.015 112.699 114.554 0.267 0.000 3.160 425 T HA 0.244 4.594 4.350 0.000 0.000 0.257 425 T C 1.852 176.763 174.700 0.351 0.000 1.147 425 T CA 0.678 62.908 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 1.020 109.932 108.800 0.186 0.000 2.200 426 G HA2 -0.265 3.695 3.960 0.000 0.000 0.267 426 G HA3 -0.265 3.695 3.960 0.000 0.000 0.267 426 G C -0.133 174.694 174.900 -0.123 0.000 0.993 426 G CA 0.770 45.895 45.100 0.041 0.000 0.701 426 G HN 0.781 nan 8.290 nan 0.000 0.524 427 H N -1.981 117.104 119.070 0.025 0.000 2.731 427 H HA 0.678 5.234 4.556 0.000 0.000 0.368 427 H C -0.194 175.149 175.328 0.025 0.000 1.168 427 H CA -1.068 54.989 56.048 0.016 0.000 1.181 427 H CB 1.467 31.231 29.762 0.002 0.000 1.743 427 H HN 0.130 nan 8.280 nan 0.000 0.547 428 L N 1.636 122.933 121.223 0.123 0.000 2.319 428 L HA 0.380 4.720 4.340 0.000 0.000 0.280 428 L C 0.852 177.779 176.870 0.094 0.000 1.099 428 L CA 0.181 55.069 54.840 0.081 0.000 0.828 428 L CB 0.499 42.586 42.059 0.046 0.000 1.150 428 L HN 0.850 nan 8.230 nan 0.000 0.442 429 G N 4.024 112.879 108.800 0.092 0.000 2.491 429 G HA2 0.302 4.262 3.960 0.000 0.000 0.242 429 G HA3 0.302 4.262 3.960 0.000 0.000 0.242 429 G C -0.498 174.451 174.900 0.080 0.000 1.266 429 G CA -0.508 44.656 45.100 0.107 0.000 0.844 429 G HN 0.447 nan 8.290 nan 0.000 0.571 430 K N 1.034 121.489 120.400 0.093 0.000 2.345 430 K HA 0.304 4.624 4.320 0.000 0.000 0.255 430 K C -0.960 175.670 176.600 0.050 0.000 0.934 430 K CA -1.025 55.301 56.287 0.065 0.000 0.801 430 K CB 2.249 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 3.947 125.179 121.223 0.015 0.000 2.603 431 L HA 0.258 4.598 4.340 0.000 0.000 0.242 431 L C -0.883 175.981 176.870 -0.011 0.000 1.169 431 L CA -0.741 54.090 54.840 -0.016 0.000 1.029 431 L CB 0.395 42.428 42.059 -0.043 0.000 1.361 431 L HN 0.242 nan 8.230 nan 0.000 0.439 432 V N 4.647 124.564 119.914 0.004 0.000 2.694 432 V HA 0.151 4.271 4.120 0.000 0.000 0.306 432 V C -1.658 174.432 176.094 -0.007 0.000 1.054 432 V CA -0.548 61.757 62.300 0.008 0.000 1.161 432 V CB 0.038 31.867 31.823 0.010 0.000 0.916 432 V HN 0.625 nan 8.190 nan 0.000 0.490 433 P HA 0.198 nan 4.420 nan 0.000 0.281 433 P C 0.577 177.874 177.300 -0.004 0.000 1.249 433 P CA -0.636 62.459 63.100 -0.009 0.000 0.810 433 P CB 0.972 32.670 31.700 -0.004 0.000 1.008 434 L N 2.816 124.032 121.223 -0.012 0.000 2.043 434 L HA -0.209 4.131 4.340 0.000 0.000 0.212 434 L C 2.067 178.914 176.870 -0.038 0.000 1.075 434 L CA 2.081 56.902 54.840 -0.032 0.000 0.752 434 L CB -1.000 41.048 42.059 -0.018 0.000 0.891 434 L HN 0.334 nan 8.230 nan 0.000 0.432 435 K N -0.975 119.420 120.400 -0.009 0.000 2.057 435 K HA -0.154 4.166 4.320 0.000 0.000 0.207 435 K C 1.959 178.579 176.600 0.033 0.000 1.049 435 K CA 1.345 57.636 56.287 0.007 0.000 0.931 435 K CB -0.056 32.455 32.500 0.017 0.000 0.714 435 K HN 0.303 nan 8.250 nan 0.000 0.440 436 E N 0.045 120.270 120.200 0.043 0.000 2.150 436 E HA -0.091 4.259 4.350 0.000 0.000 0.193 436 E C 1.984 178.659 176.600 0.125 0.000 0.985 436 E CA 1.061 57.508 56.400 0.079 0.000 0.814 436 E CB -0.296 29.444 29.700 0.068 0.000 0.752 436 E HN 0.247 nan 8.360 nan 0.000 0.466 437 T N 2.151 116.758 114.554 0.088 0.000 2.668 437 T HA -0.091 4.259 4.350 0.000 0.000 0.262 437 T C 1.927 176.751 174.700 0.207 0.000 1.045 437 T CA 1.194 63.370 62.100 0.128 0.000 1.152 437 T CB -0.098 68.779 68.868 0.016 0.000 0.864 437 T HN 0.081 nan 8.240 nan 0.000 0.419 438 I N 1.255 121.861 120.570 0.060 0.000 2.286 438 I HA -0.090 4.080 4.170 0.000 0.000 0.248 438 I C 2.185 178.391 176.117 0.149 0.000 1.115 438 I CA 1.422 62.756 61.300 0.056 0.000 1.392 438 I CB -1.227 36.738 38.000 -0.058 0.000 1.065 438 I HN 0.240 nan 8.210 nan 0.000 0.418 439 K N 1.296 121.777 120.400 0.135 0.000 2.002 439 K HA -0.075 4.245 4.320 0.000 0.000 0.209 439 K C 2.287 179.005 176.600 0.197 0.000 1.048 439 K CA 1.472 57.844 56.287 0.141 0.000 0.930 439 K CB -0.711 31.859 32.500 0.117 0.000 0.714 439 K HN 0.417 nan 8.250 nan 0.000 0.438 440 G N 1.116 110.071 108.800 0.258 0.000 2.764 440 G HA2 -0.298 3.662 3.960 0.000 0.000 0.219 440 G HA3 -0.298 3.662 3.960 0.000 0.000 0.219 440 G C 1.275 176.312 174.900 0.227 0.000 1.259 440 G CA 1.444 46.734 45.100 0.318 0.000 0.793 440 G HN 0.211 nan 8.290 nan 0.000 0.633 441 F N 1.087 121.260 119.950 0.372 0.000 2.202 441 F HA -0.081 4.446 4.527 0.000 0.000 0.301 441 F C 2.913 178.788 175.800 0.124 0.000 1.082 441 F CA 1.680 59.819 58.000 0.230 0.000 1.313 441 F CB -0.475 38.609 39.000 0.141 0.000 1.024 441 F HN 0.261 nan 8.300 nan 0.000 0.495 442 Q N 0.480 120.435 119.800 0.259 0.000 2.045 442 Q HA -0.302 4.038 4.340 0.000 0.000 0.206 442 Q C 2.171 178.232 176.000 0.101 0.000 0.991 442 Q CA 2.344 58.236 55.803 0.149 0.000 0.851 442 Q CB -0.204 28.606 28.738 0.119 0.000 0.911 442 Q HN 0.484 nan 8.270 nan 0.000 0.418 443 Q N -0.282 119.579 119.800 0.102 0.000 2.084 443 Q HA -0.157 4.183 4.340 0.000 0.000 0.202 443 Q C 2.148 178.156 176.000 0.014 0.000 0.978 443 Q CA 1.467 57.292 55.803 0.038 0.000 0.844 443 Q CB -0.080 28.733 28.738 0.125 0.000 0.898 443 Q HN 0.477 nan 8.270 nan 0.000 0.426 444 I N 0.787 121.403 120.570 0.076 0.000 2.208 444 I HA -0.268 3.902 4.170 0.000 0.000 0.245 444 I C 2.282 178.396 176.117 -0.005 0.000 1.097 444 I CA 1.416 62.721 61.300 0.008 0.000 1.363 444 I CB -1.138 36.790 38.000 -0.121 0.000 1.051 444 I HN 0.283 nan 8.210 nan 0.000 0.413 445 L N 0.932 122.180 121.223 0.041 0.000 2.017 445 L HA -0.196 4.144 4.340 0.000 0.000 0.208 445 L C 2.944 179.817 176.870 0.005 0.000 1.073 445 L CA 1.484 56.345 54.840 0.034 0.000 0.745 445 L CB -0.823 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 -0.329 122.490 122.820 -0.001 0.000 1.917 446 A HA -0.134 4.186 4.320 0.000 0.000 0.219 446 A C 1.906 179.461 177.584 -0.048 0.000 1.182 446 A CA 2.080 54.102 52.037 -0.025 0.000 0.633 446 A CB -0.822 18.154 19.000 -0.041 0.000 0.819 446 A HN 0.657 nan 8.150 nan 0.000 0.448 447 G N -2.014 106.744 108.800 -0.071 0.000 2.168 447 G HA2 -0.187 3.773 3.960 0.000 0.000 0.197 447 G HA3 -0.187 3.773 3.960 0.000 0.000 0.197 447 G C 0.467 175.285 174.900 -0.136 0.000 0.997 447 G CA 0.641 45.697 45.100 -0.073 0.000 0.658 447 G HN 0.522 nan 8.290 nan 0.000 0.513 448 E N -0.871 119.164 120.200 -0.276 0.000 2.204 448 E HA -0.054 4.296 4.350 0.000 0.000 0.195 448 E C 0.829 176.998 176.600 -0.718 0.000 0.990 448 E CA 1.163 57.243 56.400 -0.533 0.000 0.821 448 E CB -0.073 29.157 29.700 -0.783 0.000 0.750 448 E HN 0.728 nan 8.360 nan 0.000 0.477 449 Y N -0.244 120.004 120.300 -0.087 0.000 2.720 449 Y HA 0.160 4.710 4.550 0.000 0.000 0.268 449 Y C 0.932 176.671 175.900 -0.268 0.000 1.142 449 Y CA -0.642 57.297 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 0.419 120.779 120.400 -0.066 0.000 2.221 450 D HA -0.196 4.444 4.640 0.000 0.000 0.204 450 D C 2.064 178.370 176.300 0.010 0.000 0.982 450 D CA 1.545 55.541 54.000 -0.008 0.000 0.857 450 D CB 0.028 40.837 40.800 0.013 0.000 0.934 450 D HN 0.633 nan 8.370 nan 0.000 0.475 451 H N -0.409 118.707 119.070 0.078 0.000 2.395 451 H HA 0.031 4.587 4.556 0.000 0.000 0.299 451 H C 1.351 176.726 175.328 0.078 0.000 1.070 451 H CA 0.059 56.142 56.048 0.059 0.000 1.356 451 H CB -0.584 29.200 29.762 0.036 0.000 1.401 451 H HN 0.098 nan 8.280 nan 0.000 0.524 452 L N 2.869 123.877 121.223 -0.358 0.000 2.503 452 L HA 0.056 4.396 4.340 0.000 0.000 0.287 452 L C -1.981 174.900 176.870 0.018 0.000 1.252 452 L CA -1.178 53.572 54.840 -0.150 0.000 0.835 452 L CB 0.260 42.172 42.059 -0.245 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 -0.130 177.238 177.300 0.113 0.000 1.283 453 P CA -0.706 62.418 63.100 0.039 0.000 0.869 453 P CB 1.153 32.848 31.700 -0.008 0.000 1.100 454 E N 0.585 120.895 120.200 0.183 0.000 2.037 454 E HA -0.282 4.068 4.350 0.000 0.000 0.214 454 E C 1.619 178.372 176.600 0.256 0.000 1.041 454 E CA 1.452 58.012 56.400 0.267 0.000 0.872 454 E CB -0.435 29.334 29.700 0.116 0.000 0.785 454 E HN 0.503 nan 8.360 nan 0.000 0.476 455 Q N -0.409 119.452 119.800 0.101 0.000 2.528 455 Q HA -0.160 4.181 4.340 0.000 0.000 0.217 455 Q C 1.814 177.827 176.000 0.023 0.000 0.988 455 Q CA 0.983 56.832 55.803 0.076 0.000 0.900 455 Q CB -0.161 28.589 28.738 0.021 0.000 0.947 455 Q HN 0.320 nan 8.270 nan 0.000 0.502 456 A N -0.821 121.914 122.820 -0.143 0.000 2.014 456 A HA -0.074 4.246 4.320 0.000 0.000 0.218 456 A C 1.388 178.723 177.584 -0.415 0.000 1.163 456 A CA 0.657 52.463 52.037 -0.385 0.000 0.652 456 A CB -0.352 18.214 19.000 -0.724 0.000 0.808 456 A HN 0.305 nan 8.150 nan 0.000 0.449 457 F N -2.583 117.354 119.950 -0.022 0.000 2.754 457 F HA 0.203 4.730 4.527 0.000 0.000 0.297 457 F C 0.767 176.649 175.800 0.138 0.000 1.122 457 F CA -0.558 57.443 58.000 0.002 0.000 1.400 457 F CB -0.403 38.577 39.000 -0.034 0.000 1.117 457 F HN 0.239 nan 8.300 nan 0.000 0.587 458 Y N 2.444 122.847 120.300 0.170 0.000 2.544 458 Y HA 0.177 4.727 4.550 0.000 0.000 0.330 458 Y C 0.710 176.657 175.900 0.078 0.000 1.136 458 Y CA -1.208 56.964 58.100 0.120 0.000 1.417 458 Y CB 0.135 38.640 38.460 0.075 0.000 1.229 458 Y HN 0.035 nan 8.280 nan 0.000 0.532 459 M N 6.219 125.567 119.600 -0.420 0.000 3.241 459 M HA -0.166 4.314 4.480 0.000 0.000 0.169 459 M C -1.073 175.155 176.300 -0.120 0.000 1.333 459 M CA 1.079 56.148 55.300 -0.385 0.000 0.838 459 M CB -2.583 29.616 32.600 -0.668 0.000 1.258 459 M HN 0.492 nan 8.290 nan 0.000 0.656 460 V N -1.809 118.105 119.914 0.000 0.000 3.165 460 V HA 1.091 5.211 4.120 0.000 0.000 0.309 460 V C 0.469 176.621 176.094 0.096 0.000 1.267 460 V CA -0.089 62.245 62.300 0.057 0.000 1.067 460 V CB 1.683 33.553 31.823 0.077 0.000 1.082 460 V HN 0.507 nan 8.190 nan 0.000 0.451 461 G N -0.231 108.631 108.800 0.103 0.000 2.766 461 G HA2 0.544 4.504 3.960 0.000 0.000 0.206 461 G HA3 0.544 4.504 3.960 0.000 0.000 0.206 461 G C -2.567 172.446 174.900 0.189 0.000 2.072 461 G CA -0.499 44.663 45.100 0.103 0.000 0.798 461 G HN 0.692 nan 8.290 nan 0.000 0.703 462 P HA 0.245 nan 4.420 nan 0.000 0.275 462 P C 0.774 178.164 177.300 0.150 0.000 1.228 462 P CA -0.595 62.616 63.100 0.184 0.000 0.786 462 P CB 1.432 33.188 31.700 0.093 0.000 0.927 463 I N 1.933 122.569 120.570 0.109 0.000 2.290 463 I HA -0.351 3.819 4.170 0.000 0.000 0.253 463 I C 1.639 177.596 176.117 -0.267 0.000 1.112 463 I CA 1.948 63.079 61.300 -0.283 0.000 1.377 463 I CB -0.264 37.515 38.000 -0.369 0.000 1.060 463 I HN 0.362 nan 8.210 nan 0.000 0.428 464 E N 0.569 120.700 120.200 -0.116 0.000 2.130 464 E HA -0.260 4.090 4.350 0.000 0.000 0.196 464 E C 2.038 178.566 176.600 -0.120 0.000 0.998 464 E CA 1.761 58.101 56.400 -0.100 0.000 0.806 464 E CB -0.268 29.412 29.700 -0.033 0.000 0.738 464 E HN 0.634 nan 8.360 nan 0.000 0.459 465 E N -0.032 120.113 120.200 -0.091 0.000 2.208 465 E HA -0.060 4.290 4.350 0.000 0.000 0.193 465 E C 1.983 178.485 176.600 -0.164 0.000 0.988 465 E CA 0.702 57.053 56.400 -0.083 0.000 0.828 465 E CB -0.066 29.623 29.700 -0.018 0.000 0.763 465 E HN 0.280 nan 8.360 nan 0.000 0.478 466 A N 1.276 123.933 122.820 -0.272 0.000 1.969 466 A HA -0.102 4.218 4.320 0.000 0.000 0.218 466 A C 2.481 179.756 177.584 -0.515 0.000 1.169 466 A CA 0.916 52.663 52.037 -0.484 0.000 0.635 466 A CB -0.398 18.186 19.000 -0.694 0.000 0.810 466 A HN 0.105 nan 8.150 nan 0.000 0.445 467 V N -0.313 119.366 119.914 -0.391 0.000 2.283 467 V HA -0.152 3.968 4.120 0.000 0.000 0.243 467 V C 2.991 178.986 176.094 -0.166 0.000 1.039 467 V CA 1.749 63.889 62.300 -0.267 0.000 1.016 467 V CB -1.446 30.271 31.823 -0.176 0.000 0.650 467 V HN 0.541 nan 8.190 nan 0.000 0.449 468 A N -0.301 122.439 122.820 -0.134 0.000 1.933 468 A HA -0.234 4.086 4.320 0.000 0.000 0.218 468 A C 2.359 179.888 177.584 -0.091 0.000 1.175 468 A CA 2.067 54.052 52.037 -0.087 0.000 0.628 468 A CB -0.513 18.449 19.000 -0.063 0.000 0.814 468 A HN 0.485 nan 8.150 nan 0.000 0.444 469 K N -0.403 119.925 120.400 -0.121 0.000 2.147 469 K HA -0.085 4.235 4.320 0.000 0.000 0.205 469 K C 2.162 178.695 176.600 -0.113 0.000 1.049 469 K CA 1.010 57.235 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 0.418 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 4.117 4.320 0.000 0.000 0.217 470 A C 1.610 179.149 177.584 -0.074 0.000 1.181 470 A CA 2.021 53.973 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 0.303 nan 8.150 nan 0.000 0.443 471 D N -0.192 120.170 120.400 -0.063 0.000 2.092 471 D HA -0.121 4.519 4.640 0.000 0.000 0.193 471 D C 1.838 178.120 176.300 -0.030 0.000 0.994 471 D CA 1.517 55.495 54.000 -0.036 0.000 0.828 471 D CB -0.225 40.555 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 4.396 4.320 0.000 0.000 0.198 472 K C 0.972 177.560 176.600 -0.020 0.000 1.042 472 K CA 0.358 56.632 56.287 -0.022 0.000 0.958 472 K CB 0.264 32.753 32.500 -0.018 0.000 0.766 472 K HN 0.170 nan 8.250 nan 0.000 0.474 473 L N 0.733 121.939 121.223 -0.029 0.000 2.928 473 L HA 0.304 4.644 4.340 0.000 0.000 0.246 473 L C 0.153 177.011 176.870 -0.019 0.000 1.239 473 L CA -0.512 54.314 54.840 -0.024 0.000 1.035 473 L CB -0.892 41.147 42.059 -0.033 0.000 1.360 473 L HN 0.138 nan 8.230 nan 0.000 0.529 474 A N 0.000 122.810 122.820 -0.017 0.000 2.254 474 A HA 0.000 4.320 4.320 0.000 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