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 1e1q_1_D DATA FIRST_RESID 9 DATA SEQUENCE TTGRIVAVIG AVVDVQFDEG LPPILNALEV QGRETRLVLE VAQHLGESTV DATA SEQUENCE RTIAMDGTEG LVRGQKVLDS GAPIRIPVGP ETLGRIMNVI GEPIDERGPI DATA SEQUENCE KTKQFAAIHA EAPEFVEMSV EQEILVTGIK VVDLLAPYAK GGKIGLFGGA DATA SEQUENCE GVGKTVLIME LINNVAKAHG GYSVFAGVGE RTREGNDLYH EMIESGVINL DATA SEQUENCE KDATSKVALV YGQMNEPPGA RARVALTGLT VAEYFRDQEG QDVLLFIDNI DATA SEQUENCE FRFTQAGSEV SALLGRIPSA VGYQPTLATD MGTMQERITT TKKGSITSVQ DATA SEQUENCE AIYVPADDLT DPAPATTFAH LDATTVLSRA IAELGIYPAV DPLDSTSRIM DATA SEQUENCE DPNIVGSEHY DVARGVQKIL QDYKSLQDII AILGMDELSE EDKLTVSRAR DATA SEQUENCE KIQRFLSQPF QVAEVFTGHL GKLVPLKETI KGFQQILAGE YDHLPEQAFY DATA SEQUENCE MVGPIEEAVA KADKLAE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 9 T HA 0.000 nan 4.350 nan 0.000 0.228 9 T C 0.000 174.844 174.700 0.240 0.000 1.109 9 T CA 0.000 62.180 62.100 0.133 0.000 1.349 9 T CB 0.000 68.937 68.868 0.114 0.000 0.612 10 T N 1.606 116.285 114.554 0.208 0.000 2.807 10 T HA 0.830 5.180 4.350 -0.000 0.000 0.279 10 T C 0.484 175.113 174.700 -0.119 0.000 0.993 10 T CA -0.475 61.674 62.100 0.082 0.000 0.970 10 T CB 1.705 70.579 68.868 0.009 0.000 0.950 10 T HN 1.139 nan 8.240 nan 0.000 0.441 11 G N 1.712 110.161 108.800 -0.584 0.000 3.042 11 G HA2 0.794 4.754 3.960 -0.000 0.000 0.278 11 G HA3 0.794 4.754 3.960 -0.000 0.000 0.278 11 G C -1.404 173.173 174.900 -0.538 0.000 1.371 11 G CA -1.093 43.392 45.100 -1.025 0.000 1.009 11 G HN 0.631 nan 8.290 nan 0.000 0.523 12 R N -0.779 119.462 120.500 -0.431 0.000 2.686 12 R HA 0.442 4.782 4.340 -0.000 0.000 0.283 12 R C -0.589 175.597 176.300 -0.190 0.000 0.978 12 R CA -0.811 55.146 56.100 -0.238 0.000 0.897 12 R CB 2.505 32.712 30.300 -0.155 0.000 1.192 12 R HN 0.378 nan 8.270 nan 0.000 0.457 13 I N 2.678 123.172 120.570 -0.127 0.000 2.618 13 I HA -0.076 4.094 4.170 -0.000 0.000 0.284 13 I C 1.402 177.480 176.117 -0.064 0.000 1.146 13 I CA 0.146 61.397 61.300 -0.082 0.000 1.425 13 I CB 0.891 38.859 38.000 -0.054 0.000 1.383 13 I HN 0.582 nan 8.210 nan 0.000 0.562 14 V N 2.681 122.567 119.914 -0.048 0.000 3.556 14 V HA 0.643 4.763 4.120 -0.000 0.000 0.287 14 V C 0.432 176.513 176.094 -0.021 0.000 1.422 14 V CA 0.287 62.566 62.300 -0.034 0.000 1.038 14 V CB 0.132 31.937 31.823 -0.031 0.000 0.850 14 V HN 0.761 nan 8.190 nan 0.000 0.437 15 A N -0.398 122.412 122.820 -0.017 0.000 2.577 15 A HA 0.778 5.098 4.320 -0.000 0.000 0.297 15 A C -1.376 176.204 177.584 -0.007 0.000 1.060 15 A CA -0.312 51.719 52.037 -0.010 0.000 0.697 15 A CB 2.042 21.040 19.000 -0.005 0.000 1.281 15 A HN 0.598 nan 8.150 nan 0.000 0.402 16 V N 3.039 122.949 119.914 -0.006 0.000 2.462 16 V HA 0.444 4.564 4.120 -0.000 0.000 0.288 16 V C -0.859 175.233 176.094 -0.003 0.000 1.020 16 V CA -0.006 62.291 62.300 -0.004 0.000 0.857 16 V CB 1.069 32.889 31.823 -0.006 0.000 1.013 16 V HN 0.699 nan 8.190 nan 0.000 0.431 17 I N 4.241 124.810 120.570 -0.001 0.000 2.439 17 I HA 0.641 4.811 4.170 -0.000 0.000 0.283 17 I C 1.143 177.259 176.117 -0.002 0.000 1.023 17 I CA -0.102 61.196 61.300 -0.002 0.000 1.100 17 I CB 1.553 39.552 38.000 -0.001 0.000 1.238 17 I HN 0.773 nan 8.210 nan 0.000 0.445 18 G N 4.970 113.769 108.800 -0.003 0.000 2.634 18 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.309 18 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.309 18 G C 0.916 175.814 174.900 -0.003 0.000 1.265 18 G CA 0.640 45.737 45.100 -0.004 0.000 0.998 18 G HN 0.851 nan 8.290 nan 0.000 0.551 19 A N -0.887 121.931 122.820 -0.004 0.000 2.206 19 A HA 0.532 4.852 4.320 -0.000 0.000 0.211 19 A C 1.041 178.626 177.584 0.002 0.000 1.158 19 A CA 1.679 53.714 52.037 -0.002 0.000 0.761 19 A CB -0.026 18.970 19.000 -0.007 0.000 0.801 19 A HN 1.392 nan 8.150 nan 0.000 0.473 20 V N 1.029 120.944 119.914 0.001 0.000 2.370 20 V HA 0.413 4.533 4.120 -0.000 0.000 0.279 20 V C -0.554 175.545 176.094 0.008 0.000 1.029 20 V CA -0.423 61.880 62.300 0.006 0.000 0.870 20 V CB 1.225 33.050 31.823 0.003 0.000 0.984 20 V HN 0.065 nan 8.190 nan 0.000 0.451 21 V N 3.891 123.813 119.914 0.014 0.000 2.588 21 V HA 0.472 4.592 4.120 -0.000 0.000 0.304 21 V C -0.757 175.350 176.094 0.021 0.000 1.042 21 V CA -0.788 61.519 62.300 0.013 0.000 0.877 21 V CB 2.194 34.024 31.823 0.011 0.000 0.996 21 V HN 0.805 nan 8.190 nan 0.000 0.425 22 D N 2.965 123.374 120.400 0.015 0.000 2.210 22 D HA 0.601 5.241 4.640 -0.000 0.000 0.249 22 D C -0.518 175.788 176.300 0.010 0.000 1.078 22 D CA -0.008 54.006 54.000 0.023 0.000 0.875 22 D CB 2.092 42.901 40.800 0.015 0.000 1.175 22 D HN 0.265 nan 8.370 nan 0.000 0.440 23 V N 1.942 121.876 119.914 0.032 0.000 2.638 23 V HA 0.332 4.452 4.120 -0.000 0.000 0.306 23 V C -0.309 175.791 176.094 0.009 0.000 1.052 23 V CA -0.911 61.381 62.300 -0.015 0.000 0.885 23 V CB 1.892 33.732 31.823 0.028 0.000 0.999 23 V HN 0.396 nan 8.190 nan 0.000 0.424 24 Q N 2.803 122.533 119.800 -0.115 0.000 2.293 24 Q HA 0.698 5.038 4.340 -0.000 0.000 0.261 24 Q C -1.937 173.945 176.000 -0.196 0.000 0.960 24 Q CA -0.420 55.349 55.803 -0.057 0.000 0.882 24 Q CB 1.598 30.305 28.738 -0.052 0.000 1.275 24 Q HN 0.633 nan 8.270 nan 0.000 0.445 25 F N 1.297 121.218 119.950 -0.049 0.000 2.561 25 F HA 0.353 4.880 4.527 -0.000 0.000 0.321 25 F C 0.389 176.164 175.800 -0.041 0.000 1.065 25 F CA -0.593 57.380 58.000 -0.044 0.000 0.934 25 F CB 2.044 41.011 39.000 -0.055 0.000 1.215 25 F HN 0.587 nan 8.300 nan 0.000 0.471 26 D N 0.003 120.494 120.400 0.152 0.000 2.500 26 D HA 0.079 4.719 4.640 -0.000 0.000 0.217 26 D C 0.555 176.897 176.300 0.071 0.000 1.159 26 D CA 0.351 54.396 54.000 0.076 0.000 0.828 26 D CB 0.712 41.531 40.800 0.031 0.000 1.039 26 D HN 0.644 nan 8.370 nan 0.000 0.512 27 E N 0.624 120.887 120.200 0.106 0.000 3.686 27 E HA 0.432 4.782 4.350 -0.000 0.000 0.357 27 E C 0.943 177.563 176.600 0.033 0.000 0.562 27 E CA -0.737 55.702 56.400 0.065 0.000 2.008 27 E CB -0.150 29.598 29.700 0.079 0.000 2.161 27 E HN -0.088 nan 8.360 nan 0.000 0.464 28 G N 1.139 109.941 108.800 0.003 0.000 2.353 28 G HA2 0.396 4.355 3.960 -0.000 0.000 0.284 28 G HA3 0.396 4.355 3.960 -0.000 0.000 0.284 28 G C -0.866 173.926 174.900 -0.181 0.000 1.172 28 G CA -0.439 44.622 45.100 -0.064 0.000 0.854 28 G HN 0.030 nan 8.290 nan 0.000 0.485 29 L N 5.172 126.276 121.223 -0.197 0.000 2.313 29 L HA 0.348 4.688 4.340 -0.000 0.000 0.282 29 L C -1.524 175.137 176.870 -0.349 0.000 1.092 29 L CA -1.902 52.720 54.840 -0.362 0.000 0.831 29 L CB 0.878 42.743 42.059 -0.322 0.000 1.159 29 L HN 0.335 nan 8.230 nan 0.000 0.442 30 P HA 0.152 nan 4.420 nan 0.000 0.267 30 P C -2.693 174.599 177.300 -0.015 0.000 1.205 30 P CA -1.074 61.847 63.100 -0.298 0.000 0.765 30 P CB -0.053 31.400 31.700 -0.413 0.000 0.828 31 P HA 0.168 nan 4.420 nan 0.000 0.272 31 P C 0.534 177.839 177.300 0.008 0.000 1.223 31 P CA -0.110 63.017 63.100 0.045 0.000 0.784 31 P CB 0.546 32.233 31.700 -0.022 0.000 0.923 32 I N 2.570 123.074 120.570 -0.111 0.000 2.815 32 I HA -0.137 4.033 4.170 -0.000 0.000 0.291 32 I C 1.567 177.619 176.117 -0.108 0.000 1.209 32 I CA 0.704 61.931 61.300 -0.122 0.000 1.431 32 I CB -0.297 37.578 38.000 -0.209 0.000 1.351 32 I HN 0.438 nan 8.210 nan 0.000 0.585 33 L N 1.717 122.877 121.223 -0.106 0.000 4.383 33 L HA -0.237 4.103 4.340 -0.000 0.000 0.402 33 L C 0.075 176.922 176.870 -0.037 0.000 0.803 33 L CA 0.059 54.809 54.840 -0.150 0.000 2.175 33 L CB -1.511 40.369 42.059 -0.298 0.000 1.434 33 L HN 0.685 nan 8.230 nan 0.000 0.591 34 N N 1.053 119.745 118.700 -0.013 0.000 2.508 34 N HA 0.526 5.266 4.740 -0.000 0.000 0.264 34 N C 0.250 175.781 175.510 0.037 0.000 1.216 34 N CA 0.796 53.852 53.050 0.011 0.000 0.943 34 N CB 1.001 39.481 38.487 -0.012 0.000 1.113 34 N HN 0.284 nan 8.380 nan 0.000 0.447 35 A N 2.314 125.161 122.820 0.045 0.000 2.320 35 A HA 0.517 4.837 4.320 -0.000 0.000 0.287 35 A C -0.319 177.297 177.584 0.053 0.000 1.181 35 A CA -0.463 51.606 52.037 0.053 0.000 0.831 35 A CB -0.071 18.960 19.000 0.051 0.000 1.102 35 A HN 0.614 nan 8.150 nan 0.000 0.513 36 L N 2.014 123.279 121.223 0.071 0.000 2.331 36 L HA 0.526 4.866 4.340 -0.000 0.000 0.275 36 L C -0.116 176.798 176.870 0.073 0.000 1.022 36 L CA -0.705 54.194 54.840 0.099 0.000 0.812 36 L CB 1.648 43.801 42.059 0.156 0.000 1.257 36 L HN 0.603 nan 8.230 nan 0.000 0.435 37 E N 2.162 122.403 120.200 0.068 0.000 2.155 37 E HA 0.281 4.631 4.350 -0.000 0.000 0.264 37 E C -0.980 175.638 176.600 0.031 0.000 0.886 37 E CA -0.619 55.806 56.400 0.041 0.000 0.752 37 E CB 2.585 32.303 29.700 0.030 0.000 1.133 37 E HN 0.192 nan 8.360 nan 0.000 0.414 38 V N 4.263 124.189 119.914 0.021 0.000 2.479 38 V HA -0.032 4.088 4.120 -0.000 0.000 0.281 38 V C 0.623 176.717 176.094 0.000 0.000 1.031 38 V CA -0.193 62.110 62.300 0.006 0.000 1.038 38 V CB 0.533 32.358 31.823 0.003 0.000 0.981 38 V HN 0.462 nan 8.190 nan 0.000 0.478 39 Q N 2.792 122.587 119.800 -0.008 0.000 2.299 39 Q HA 0.440 4.780 4.340 -0.000 0.000 0.246 39 Q C 1.039 177.032 176.000 -0.011 0.000 0.935 39 Q CA 0.541 56.339 55.803 -0.009 0.000 0.887 39 Q CB 1.264 29.994 28.738 -0.014 0.000 1.223 39 Q HN 1.153 nan 8.270 nan 0.000 0.439 40 G N 2.258 111.053 108.800 -0.008 0.000 2.248 40 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.252 40 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.252 40 G C -0.306 174.590 174.900 -0.007 0.000 1.085 40 G CA -0.212 44.882 45.100 -0.009 0.000 0.845 40 G HN 0.422 nan 8.290 nan 0.000 0.494 41 R N -0.716 119.782 120.500 -0.004 0.000 2.686 41 R HA 0.390 4.730 4.340 -0.000 0.000 0.283 41 R C 0.263 176.563 176.300 -0.000 0.000 0.978 41 R CA -0.981 55.118 56.100 -0.002 0.000 0.897 41 R CB 1.341 31.641 30.300 -0.000 0.000 1.192 41 R HN 0.077 nan 8.270 nan 0.000 0.457 42 E N 0.879 121.079 120.200 -0.000 0.000 2.418 42 E HA -0.013 4.337 4.350 -0.000 0.000 0.197 42 E C 0.208 176.809 176.600 0.002 0.000 1.026 42 E CA 0.887 57.287 56.400 0.001 0.000 0.862 42 E CB 0.304 30.004 29.700 0.000 0.000 0.799 42 E HN 0.593 nan 8.360 nan 0.000 0.518 43 T N -0.855 113.701 114.554 0.003 0.000 2.900 43 T HA 0.471 4.821 4.350 -0.000 0.000 0.295 43 T C -0.044 174.660 174.700 0.007 0.000 1.044 43 T CA -1.076 61.027 62.100 0.005 0.000 0.995 43 T CB 2.378 71.249 68.868 0.005 0.000 1.072 43 T HN -0.030 nan 8.240 nan 0.000 0.473 44 R N 1.669 122.174 120.500 0.009 0.000 2.296 44 R HA 0.443 4.783 4.340 -0.000 0.000 0.323 44 R C -0.985 175.323 176.300 0.014 0.000 1.067 44 R CA -0.625 55.482 56.100 0.012 0.000 0.946 44 R CB -0.150 30.158 30.300 0.013 0.000 0.991 44 R HN 0.534 nan 8.270 nan 0.000 0.448 45 L N 6.141 127.372 121.223 0.014 0.000 2.295 45 L HA 0.374 4.714 4.340 -0.000 0.000 0.281 45 L C -1.271 175.612 176.870 0.022 0.000 1.018 45 L CA -0.577 54.273 54.840 0.016 0.000 0.841 45 L CB 1.680 43.746 42.059 0.011 0.000 1.218 45 L HN 0.490 nan 8.230 nan 0.000 0.424 46 V N 6.086 126.016 119.914 0.026 0.000 2.539 46 V HA 0.477 4.597 4.120 -0.000 0.000 0.292 46 V C 0.017 176.134 176.094 0.038 0.000 1.045 46 V CA -0.574 61.746 62.300 0.034 0.000 0.945 46 V CB 1.842 33.687 31.823 0.036 0.000 0.993 46 V HN 0.580 nan 8.190 nan 0.000 0.464 47 L N 3.811 125.063 121.223 0.048 0.000 2.333 47 L HA 0.565 4.905 4.340 -0.000 0.000 0.280 47 L C -0.168 176.739 176.870 0.062 0.000 1.004 47 L CA -0.399 54.473 54.840 0.053 0.000 0.820 47 L CB 1.987 44.083 42.059 0.062 0.000 1.247 47 L HN 0.650 nan 8.230 nan 0.000 0.416 48 E N 2.379 122.615 120.200 0.059 0.000 2.174 48 E HA 0.347 4.697 4.350 -0.000 0.000 0.282 48 E C -0.951 175.680 176.600 0.052 0.000 0.992 48 E CA -0.752 55.686 56.400 0.064 0.000 0.803 48 E CB 1.627 31.375 29.700 0.080 0.000 1.090 48 E HN 0.314 nan 8.360 nan 0.000 0.396 49 V N 4.154 124.097 119.914 0.047 0.000 2.585 49 V HA 0.103 4.223 4.120 -0.000 0.000 0.296 49 V C 0.935 177.041 176.094 0.020 0.000 1.035 49 V CA 0.786 63.118 62.300 0.053 0.000 1.084 49 V CB 0.857 32.720 31.823 0.067 0.000 0.953 49 V HN 0.917 nan 8.190 nan 0.000 0.483 50 A N 3.854 126.691 122.820 0.029 0.000 1.984 50 A HA 0.331 4.651 4.320 -0.000 0.000 0.203 50 A C 0.724 178.302 177.584 -0.010 0.000 1.292 50 A CA 0.325 52.361 52.037 -0.001 0.000 0.782 50 A CB 0.315 19.317 19.000 0.004 0.000 0.924 50 A HN 0.809 nan 8.150 nan 0.000 0.475 51 Q N -1.590 118.232 119.800 0.037 0.000 2.534 51 Q HA 0.407 4.747 4.340 -0.000 0.000 0.290 51 Q C -1.700 174.416 176.000 0.194 0.000 0.991 51 Q CA -0.623 55.203 55.803 0.038 0.000 0.783 51 Q CB 1.660 30.418 28.738 0.033 0.000 1.470 51 Q HN 0.598 nan 8.270 nan 0.000 0.406 52 H N 1.284 120.350 119.070 -0.007 0.000 2.638 52 H HA 0.275 4.831 4.556 -0.000 0.000 0.303 52 H C 0.529 175.860 175.328 0.004 0.000 1.034 52 H CA -0.346 55.701 56.048 -0.001 0.000 1.225 52 H CB 1.016 30.771 29.762 -0.011 0.000 1.394 52 H HN 0.417 nan 8.280 nan 0.000 0.477 53 L N 2.630 123.923 121.223 0.117 0.000 2.217 53 L HA 0.078 4.418 4.340 -0.000 0.000 0.211 53 L C 1.159 178.060 176.870 0.052 0.000 1.107 53 L CA 0.839 55.719 54.840 0.066 0.000 0.783 53 L CB -0.124 41.963 42.059 0.046 0.000 0.919 53 L HN 0.879 nan 8.230 nan 0.000 0.442 54 G N -0.293 108.537 108.800 0.050 0.000 2.515 54 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.686 54 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.686 54 G C -0.228 174.680 174.900 0.013 0.000 1.274 54 G CA -0.560 44.558 45.100 0.031 0.000 0.874 54 G HN 0.276 nan 8.290 nan 0.000 0.631 55 E N -0.555 119.650 120.200 0.008 0.000 2.228 55 E HA -0.209 4.141 4.350 -0.000 0.000 0.213 55 E C 1.021 177.621 176.600 0.001 0.000 1.282 55 E CA 0.913 57.316 56.400 0.004 0.000 0.707 55 E CB -1.630 28.073 29.700 0.006 0.000 1.150 55 E HN 2.000 nan 8.360 nan 0.000 0.362 56 S N -2.201 113.491 115.700 -0.012 0.000 3.445 56 S HA -0.219 4.251 4.470 -0.000 0.000 0.319 56 S C 0.231 174.844 174.600 0.021 0.000 1.209 56 S CA 1.578 59.773 58.200 -0.009 0.000 0.934 56 S CB -0.999 62.212 63.200 0.020 0.000 0.999 56 S HN 0.496 nan 8.310 nan 0.000 0.582 57 T N 1.704 116.260 114.554 0.002 0.000 2.797 57 T HA 0.617 4.967 4.350 -0.000 0.000 0.279 57 T C 0.281 174.994 174.700 0.022 0.000 0.991 57 T CA -0.293 61.826 62.100 0.031 0.000 0.979 57 T CB 1.748 70.629 68.868 0.023 0.000 0.943 57 T HN 0.497 nan 8.240 nan 0.000 0.444 58 V N 1.595 121.551 119.914 0.070 0.000 2.769 58 V HA 0.783 4.903 4.120 -0.000 0.000 0.312 58 V C -0.286 175.869 176.094 0.102 0.000 1.058 58 V CA -1.403 60.948 62.300 0.085 0.000 0.952 58 V CB 1.764 33.636 31.823 0.082 0.000 1.019 58 V HN 0.863 nan 8.190 nan 0.000 0.445 59 R N 1.944 122.505 120.500 0.102 0.000 2.445 59 R HA 0.756 5.096 4.340 -0.000 0.000 0.308 59 R C -0.351 175.990 176.300 0.068 0.000 0.961 59 R CA 0.272 56.414 56.100 0.069 0.000 0.862 59 R CB 1.735 32.065 30.300 0.050 0.000 1.144 59 R HN 1.183 nan 8.270 nan 0.000 0.447 60 T N 2.247 116.835 114.554 0.057 0.000 2.906 60 T HA 0.526 4.876 4.350 -0.000 0.000 0.295 60 T C 0.060 174.781 174.700 0.035 0.000 1.075 60 T CA -1.025 61.107 62.100 0.053 0.000 1.005 60 T CB 1.156 70.067 68.868 0.071 0.000 1.136 60 T HN 0.598 nan 8.240 nan 0.000 0.498 61 I N 0.376 120.964 120.570 0.030 0.000 2.378 61 I HA 0.805 4.975 4.170 -0.000 0.000 0.291 61 I C 0.229 176.360 176.117 0.024 0.000 0.992 61 I CA -1.374 59.938 61.300 0.019 0.000 1.154 61 I CB 1.192 39.197 38.000 0.008 0.000 1.315 61 I HN 0.893 nan 8.210 nan 0.000 0.448 62 A N 6.933 129.764 122.820 0.018 0.000 2.407 62 A HA 0.444 4.764 4.320 -0.000 0.000 0.248 62 A C 0.808 178.403 177.584 0.018 0.000 1.082 62 A CA -0.446 51.603 52.037 0.020 0.000 0.785 62 A CB 0.565 19.574 19.000 0.013 0.000 1.020 62 A HN 0.877 nan 8.150 nan 0.000 0.489 63 M N 0.756 120.369 119.600 0.022 0.000 2.495 63 M HA 0.193 4.673 4.480 -0.000 0.000 0.237 63 M C -0.107 176.203 176.300 0.016 0.000 1.131 63 M CA 0.563 55.875 55.300 0.021 0.000 1.032 63 M CB -1.094 31.522 32.600 0.026 0.000 1.513 63 M HN 0.793 nan 8.290 nan 0.000 0.488 64 D N -1.157 119.251 120.400 0.013 0.000 2.768 64 D HA 0.469 5.109 4.640 -0.000 0.000 0.327 64 D C -0.503 175.801 176.300 0.007 0.000 1.302 64 D CA -0.199 53.808 54.000 0.011 0.000 0.897 64 D CB 1.132 41.939 40.800 0.011 0.000 1.420 64 D HN 0.116 nan 8.370 nan 0.000 0.494 65 G N -1.080 107.723 108.800 0.005 0.000 2.554 65 G HA2 0.356 4.316 3.960 -0.000 0.000 0.238 65 G HA3 0.356 4.316 3.960 -0.000 0.000 0.238 65 G C 0.772 175.673 174.900 0.003 0.000 1.259 65 G CA 0.633 45.735 45.100 0.003 0.000 0.843 65 G HN 0.411 nan 8.290 nan 0.000 0.582 66 T N -1.837 112.718 114.554 0.001 0.000 3.085 66 T HA 0.221 4.571 4.350 -0.000 0.000 0.264 66 T C 0.486 175.185 174.700 -0.002 0.000 1.019 66 T CA -0.215 61.885 62.100 0.000 0.000 0.910 66 T CB -0.048 68.820 68.868 -0.000 0.000 1.059 66 T HN 0.612 nan 8.240 nan 0.000 0.542 67 E N 1.525 121.724 120.200 -0.002 0.000 2.529 67 E HA 0.326 4.676 4.350 -0.000 0.000 0.259 67 E C 1.299 177.897 176.600 -0.003 0.000 0.966 67 E CA 0.743 57.142 56.400 -0.002 0.000 0.937 67 E CB -0.039 29.660 29.700 -0.002 0.000 0.923 67 E HN 0.529 nan 8.360 nan 0.000 0.468 68 G N 2.618 111.415 108.800 -0.004 0.000 2.199 68 G HA2 -0.312 3.647 3.960 -0.000 0.000 0.254 68 G HA3 -0.312 3.647 3.960 -0.000 0.000 0.254 68 G C 0.334 175.230 174.900 -0.007 0.000 0.982 68 G CA 0.058 45.155 45.100 -0.005 0.000 0.632 68 G HN 0.405 nan 8.290 nan 0.000 0.529 69 L N 0.205 121.424 121.223 -0.007 0.000 2.473 69 L HA 0.530 4.870 4.340 -0.000 0.000 0.268 69 L C 0.650 177.512 176.870 -0.013 0.000 1.215 69 L CA -0.298 54.536 54.840 -0.011 0.000 0.823 69 L CB 0.969 43.022 42.059 -0.011 0.000 1.099 69 L HN 0.003 nan 8.230 nan 0.000 0.483 70 V N 1.261 121.165 119.914 -0.017 0.000 2.760 70 V HA 0.348 4.468 4.120 -0.000 0.000 0.309 70 V C -0.137 175.942 176.094 -0.025 0.000 1.077 70 V CA -0.911 61.378 62.300 -0.019 0.000 0.910 70 V CB 1.940 33.752 31.823 -0.018 0.000 1.008 70 V HN 0.621 nan 8.190 nan 0.000 0.424 71 R N 2.335 122.821 120.500 -0.024 0.000 2.502 71 R HA 0.400 4.740 4.340 -0.000 0.000 0.292 71 R C 1.297 177.576 176.300 -0.035 0.000 0.998 71 R CA 1.179 57.261 56.100 -0.029 0.000 1.056 71 R CB 0.089 30.375 30.300 -0.024 0.000 0.939 71 R HN 1.220 nan 8.270 nan 0.000 0.411 72 G N 1.921 110.692 108.800 -0.048 0.000 2.259 72 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.217 72 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.217 72 G C 0.218 175.082 174.900 -0.060 0.000 1.001 72 G CA -0.194 44.874 45.100 -0.054 0.000 0.627 72 G HN 0.585 nan 8.290 nan 0.000 0.501 73 Q N 1.481 121.250 119.800 -0.052 0.000 2.333 73 Q HA 0.358 4.698 4.340 -0.000 0.000 0.299 73 Q C 0.406 176.363 176.000 -0.071 0.000 1.067 73 Q CA 0.463 56.236 55.803 -0.050 0.000 0.943 73 Q CB 0.304 29.019 28.738 -0.038 0.000 1.233 73 Q HN 0.468 nan 8.270 nan 0.000 0.401 74 K N 1.637 121.998 120.400 -0.065 0.000 2.237 74 K HA 0.330 4.650 4.320 -0.000 0.000 0.270 74 K C -1.089 175.464 176.600 -0.077 0.000 1.015 74 K CA -0.420 55.816 56.287 -0.084 0.000 0.949 74 K CB 1.147 33.612 32.500 -0.059 0.000 0.976 74 K HN 0.315 nan 8.250 nan 0.000 0.472 75 V N 4.282 124.127 119.914 -0.115 0.000 2.577 75 V HA 0.308 4.428 4.120 -0.000 0.000 0.303 75 V C -0.556 175.537 176.094 -0.002 0.000 1.042 75 V CA -0.882 61.379 62.300 -0.065 0.000 0.872 75 V CB 1.453 33.220 31.823 -0.093 0.000 0.998 75 V HN 0.589 nan 8.190 nan 0.000 0.423 76 L N 3.316 124.581 121.223 0.071 0.000 2.295 76 L HA 0.538 4.878 4.340 -0.000 0.000 0.285 76 L C -0.201 176.771 176.870 0.170 0.000 1.035 76 L CA -0.502 54.411 54.840 0.121 0.000 0.806 76 L CB 1.623 43.719 42.059 0.063 0.000 1.214 76 L HN 0.621 nan 8.230 nan 0.000 0.426 77 D N 0.989 121.513 120.400 0.205 0.000 2.336 77 D HA 0.040 4.680 4.640 -0.000 0.000 0.249 77 D C 1.143 177.469 176.300 0.044 0.000 1.213 77 D CA -0.210 53.852 54.000 0.103 0.000 0.870 77 D CB 1.365 42.158 40.800 -0.012 0.000 1.076 77 D HN 0.511 nan 8.370 nan 0.000 0.483 78 S N 2.834 118.553 115.700 0.032 0.000 2.507 78 S HA 0.044 4.514 4.470 -0.000 0.000 0.235 78 S C 1.810 176.408 174.600 -0.003 0.000 0.988 78 S CA 0.526 58.733 58.200 0.012 0.000 0.944 78 S CB -0.446 62.759 63.200 0.010 0.000 0.762 78 S HN 0.993 nan 8.310 nan 0.000 0.526 79 G N 0.082 108.876 108.800 -0.010 0.000 2.179 79 G HA2 0.090 4.050 3.960 -0.000 0.000 0.260 79 G HA3 0.090 4.050 3.960 -0.000 0.000 0.260 79 G C 0.161 175.053 174.900 -0.013 0.000 0.977 79 G CA -0.079 45.010 45.100 -0.019 0.000 0.641 79 G HN 1.687 nan 8.290 nan 0.000 0.533 80 A N -1.097 121.721 122.820 -0.003 0.000 2.586 80 A HA 0.874 5.194 4.320 -0.000 0.000 0.290 80 A C -2.840 174.761 177.584 0.027 0.000 1.086 80 A CA -0.358 51.684 52.037 0.008 0.000 0.665 80 A CB 0.755 19.760 19.000 0.008 0.000 1.279 80 A HN 0.149 nan 8.150 nan 0.000 0.423 81 P HA 0.234 nan 4.420 nan 0.000 0.278 81 P C -0.355 176.998 177.300 0.088 0.000 1.270 81 P CA -0.106 63.053 63.100 0.098 0.000 0.800 81 P CB 0.165 31.963 31.700 0.163 0.000 1.142 82 I N 0.533 121.168 120.570 0.108 0.000 2.505 82 I HA 0.048 4.218 4.170 -0.000 0.000 0.287 82 I C 1.094 177.245 176.117 0.057 0.000 1.104 82 I CA 0.418 61.758 61.300 0.066 0.000 1.387 82 I CB -0.269 37.758 38.000 0.046 0.000 1.404 82 I HN 0.106 nan 8.210 nan 0.000 0.528 83 R N 7.460 128.000 120.500 0.066 0.000 2.393 83 R HA 0.694 5.034 4.340 -0.000 0.000 0.310 83 R C -0.502 175.900 176.300 0.170 0.000 0.968 83 R CA -0.728 55.433 56.100 0.103 0.000 0.867 83 R CB 1.871 32.228 30.300 0.095 0.000 1.124 83 R HN 0.608 nan 8.270 nan 0.000 0.450 84 I N -1.128 119.530 120.570 0.147 0.000 2.957 84 I HA 0.594 4.764 4.170 -0.000 0.000 0.310 84 I C -2.599 173.482 176.117 -0.060 0.000 1.063 84 I CA -3.542 57.825 61.300 0.113 0.000 1.033 84 I CB 2.065 40.059 38.000 -0.010 0.000 1.230 84 I HN 0.281 nan 8.210 nan 0.000 0.447 85 P HA 0.133 nan 4.420 nan 0.000 0.266 85 P C -0.758 176.205 177.300 -0.562 0.000 1.215 85 P CA -0.029 62.559 63.100 -0.852 0.000 0.763 85 P CB 0.535 31.891 31.700 -0.573 0.000 0.806 86 V N 1.618 121.144 119.914 -0.647 0.000 2.604 86 V HA 1.033 5.153 4.120 -0.000 0.000 0.305 86 V C 0.181 175.740 176.094 -0.893 0.000 1.043 86 V CA -0.408 61.481 62.300 -0.685 0.000 0.888 86 V CB 1.512 32.929 31.823 -0.678 0.000 0.995 86 V HN 0.842 nan 8.190 nan 0.000 0.429 87 G N 3.581 111.888 108.800 -0.822 0.000 2.369 87 G HA2 0.306 4.266 3.960 -0.000 0.000 0.293 87 G HA3 0.306 4.266 3.960 -0.000 0.000 0.293 87 G C -2.666 172.168 174.900 -0.110 0.000 1.301 87 G CA 0.085 44.849 45.100 -0.559 0.000 0.913 87 G HN 0.558 nan 8.290 nan 0.000 0.540 88 P HA -0.063 nan 4.420 nan 0.000 0.219 88 P C 1.103 178.388 177.300 -0.024 0.000 1.146 88 P CA 1.676 64.818 63.100 0.070 0.000 0.808 88 P CB 0.062 31.808 31.700 0.077 0.000 0.779 89 E N 0.338 120.508 120.200 -0.051 0.000 2.438 89 E HA -0.020 4.330 4.350 -0.000 0.000 0.192 89 E C 0.918 177.480 176.600 -0.064 0.000 1.110 89 E CA 0.729 57.094 56.400 -0.059 0.000 0.893 89 E CB -1.370 28.290 29.700 -0.066 0.000 0.990 89 E HN 0.340 nan 8.360 nan 0.000 0.490 90 T N -1.574 112.952 114.554 -0.047 0.000 3.037 90 T HA 0.181 4.531 4.350 -0.000 0.000 0.252 90 T C 1.150 175.872 174.700 0.036 0.000 1.073 90 T CA -0.340 61.747 62.100 -0.023 0.000 1.091 90 T CB -0.186 68.653 68.868 -0.047 0.000 0.935 90 T HN 0.047 nan 8.240 nan 0.000 0.488 91 L N 2.047 123.286 121.223 0.027 0.000 2.490 91 L HA 0.423 4.763 4.340 -0.000 0.000 0.274 91 L C 1.830 178.715 176.870 0.024 0.000 1.201 91 L CA 0.863 55.703 54.840 -0.000 0.000 0.869 91 L CB -0.168 41.810 42.059 -0.134 0.000 1.123 91 L HN 0.521 nan 8.230 nan 0.000 0.484 92 G N 1.510 110.346 108.800 0.061 0.000 2.284 92 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.261 92 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.261 92 G C 0.490 175.469 174.900 0.132 0.000 0.997 92 G CA -0.190 44.966 45.100 0.092 0.000 0.621 92 G HN 0.470 nan 8.290 nan 0.000 0.534 93 R N 0.344 120.897 120.500 0.088 0.000 2.490 93 R HA 0.611 4.951 4.340 -0.000 0.000 0.278 93 R C 0.556 176.898 176.300 0.070 0.000 1.069 93 R CA -0.998 55.145 56.100 0.070 0.000 1.080 93 R CB 0.289 30.607 30.300 0.029 0.000 1.030 93 R HN 0.377 nan 8.270 nan 0.000 0.491 94 I N 3.366 123.948 120.570 0.019 0.000 2.307 94 I HA 0.278 4.448 4.170 -0.000 0.000 0.289 94 I C 0.611 176.745 176.117 0.028 0.000 1.021 94 I CA -0.085 61.219 61.300 0.008 0.000 1.224 94 I CB 0.814 38.727 38.000 -0.145 0.000 1.376 94 I HN 0.255 nan 8.210 nan 0.000 0.470 95 M N 4.600 124.236 119.600 0.060 0.000 2.573 95 M HA 0.352 4.832 4.480 -0.000 0.000 0.309 95 M C -0.033 176.304 176.300 0.060 0.000 1.202 95 M CA -0.472 54.851 55.300 0.038 0.000 0.975 95 M CB 1.615 34.222 32.600 0.011 0.000 1.600 95 M HN 0.482 nan 8.290 nan 0.000 0.479 96 N N -0.734 117.990 118.700 0.040 0.000 2.491 96 N HA 0.339 5.079 4.740 -0.000 0.000 0.279 96 N C 0.645 176.171 175.510 0.026 0.000 1.236 96 N CA -0.486 52.590 53.050 0.043 0.000 0.982 96 N CB 1.141 39.646 38.487 0.031 0.000 1.194 96 N HN 0.440 nan 8.380 nan 0.000 0.582 97 V N 0.584 120.513 119.914 0.025 0.000 2.233 97 V HA -0.203 3.916 4.120 -0.000 0.000 0.247 97 V C 1.752 177.851 176.094 0.008 0.000 1.050 97 V CA 2.046 64.353 62.300 0.011 0.000 1.010 97 V CB -1.105 30.727 31.823 0.015 0.000 0.637 97 V HN 0.756 nan 8.190 nan 0.000 0.444 98 I N -0.828 119.754 120.570 0.020 0.000 3.686 98 I HA 0.577 4.747 4.170 -0.000 0.000 0.308 98 I C 1.404 177.544 176.117 0.039 0.000 1.254 98 I CA 0.690 62.007 61.300 0.028 0.000 1.175 98 I CB -0.564 37.455 38.000 0.031 0.000 1.009 98 I HN 0.434 nan 8.210 nan 0.000 0.459 99 G N 0.951 109.768 108.800 0.028 0.000 2.157 99 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.248 99 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.248 99 G C -0.133 174.789 174.900 0.036 0.000 0.979 99 G CA -0.061 45.057 45.100 0.029 0.000 0.650 99 G HN 0.641 nan 8.290 nan 0.000 0.529 100 E N 1.509 121.729 120.200 0.035 0.000 2.313 100 E HA 0.422 4.772 4.350 -0.000 0.000 0.272 100 E C -2.390 174.222 176.600 0.020 0.000 1.038 100 E CA -2.043 54.376 56.400 0.032 0.000 0.863 100 E CB 1.038 30.755 29.700 0.029 0.000 1.060 100 E HN 0.128 nan 8.360 nan 0.000 0.402 101 P HA -0.033 nan 4.420 nan 0.000 0.262 101 P C -0.093 177.208 177.300 0.001 0.000 1.199 101 P CA 0.555 63.659 63.100 0.007 0.000 0.763 101 P CB 0.075 31.781 31.700 0.010 0.000 0.790 102 I N -0.344 120.218 120.570 -0.013 0.000 3.947 102 I HA 0.241 4.411 4.170 -0.000 0.000 0.327 102 I C 0.399 176.479 176.117 -0.062 0.000 1.519 102 I CA -0.195 61.089 61.300 -0.027 0.000 1.122 102 I CB 0.005 37.992 38.000 -0.022 0.000 1.146 102 I HN 0.011 nan 8.210 nan 0.000 0.442 103 D N 0.520 120.887 120.400 -0.054 0.000 2.339 103 D HA -0.015 4.625 4.640 -0.000 0.000 0.217 103 D C 0.688 176.989 176.300 0.003 0.000 1.050 103 D CA 0.015 53.978 54.000 -0.062 0.000 0.856 103 D CB -0.197 40.577 40.800 -0.043 0.000 0.922 103 D HN 0.472 nan 8.370 nan 0.000 0.518 104 E N -0.704 119.498 120.200 0.003 0.000 3.170 104 E HA -0.265 4.085 4.350 -0.000 0.000 0.284 104 E C 0.234 176.849 176.600 0.025 0.000 0.967 104 E CA 0.388 56.798 56.400 0.016 0.000 0.919 104 E CB -0.948 28.765 29.700 0.022 0.000 1.469 104 E HN 0.416 nan 8.360 nan 0.000 0.444 105 R N 0.106 120.623 120.500 0.028 0.000 2.515 105 R HA 0.294 4.634 4.340 -0.000 0.000 0.294 105 R C 0.779 177.092 176.300 0.022 0.000 1.021 105 R CA 0.370 56.488 56.100 0.030 0.000 1.081 105 R CB 1.022 31.348 30.300 0.043 0.000 1.263 105 R HN 0.273 nan 8.270 nan 0.000 0.557 106 G N 2.118 110.929 108.800 0.018 0.000 2.757 106 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.638 106 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.638 106 G C -2.597 172.314 174.900 0.017 0.000 1.344 106 G CA -1.254 43.856 45.100 0.017 0.000 0.855 106 G HN 0.037 nan 8.290 nan 0.000 0.537 107 P HA 0.335 nan 4.420 nan 0.000 0.268 107 P C 0.116 177.424 177.300 0.014 0.000 1.208 107 P CA 0.034 63.149 63.100 0.024 0.000 0.777 107 P CB 0.339 32.059 31.700 0.034 0.000 0.875 108 I N 2.255 122.830 120.570 0.008 0.000 2.282 108 I HA 0.140 4.310 4.170 -0.000 0.000 0.290 108 I C 0.921 177.017 176.117 -0.034 0.000 1.090 108 I CA -0.252 61.030 61.300 -0.030 0.000 1.231 108 I CB -0.011 37.951 38.000 -0.063 0.000 1.434 108 I HN 0.059 nan 8.210 nan 0.000 0.487 109 K N 5.583 125.971 120.400 -0.021 0.000 2.243 109 K HA 0.106 4.426 4.320 -0.000 0.000 0.232 109 K C 0.554 177.128 176.600 -0.043 0.000 1.237 109 K CA -0.209 56.076 56.287 -0.004 0.000 1.161 109 K CB -0.280 32.225 32.500 0.009 0.000 1.505 109 K HN 0.628 nan 8.250 nan 0.000 0.271 110 T N -1.876 112.609 114.554 -0.116 0.000 2.788 110 T HA 0.220 4.570 4.350 -0.000 0.000 0.280 110 T C 0.802 175.454 174.700 -0.079 0.000 0.984 110 T CA -0.642 61.334 62.100 -0.207 0.000 0.972 110 T CB 1.290 69.856 68.868 -0.503 0.000 1.039 110 T HN 0.289 nan 8.240 nan 0.000 0.530 111 K N -0.118 120.230 120.400 -0.087 0.000 2.438 111 K HA 0.184 4.504 4.320 -0.000 0.000 0.206 111 K C -0.453 176.168 176.600 0.035 0.000 1.081 111 K CA -0.148 56.151 56.287 0.020 0.000 1.053 111 K CB 0.703 33.215 32.500 0.020 0.000 0.908 111 K HN 0.516 nan 8.250 nan 0.000 0.556 112 Q N -0.072 119.665 119.800 -0.105 0.000 2.315 112 Q HA 0.482 4.822 4.340 -0.000 0.000 0.273 112 Q C -1.250 174.590 176.000 -0.267 0.000 1.053 112 Q CA -0.439 55.317 55.803 -0.078 0.000 0.817 112 Q CB 1.542 30.200 28.738 -0.132 0.000 1.326 112 Q HN -0.093 nan 8.270 nan 0.000 0.423 113 F N 0.606 120.498 119.950 -0.097 0.000 2.532 113 F HA 0.906 5.433 4.527 -0.000 0.000 0.321 113 F C -0.277 175.486 175.800 -0.062 0.000 1.089 113 F CA -0.839 57.108 58.000 -0.088 0.000 0.926 113 F CB 2.183 41.150 39.000 -0.055 0.000 1.168 113 F HN 0.642 nan 8.300 nan 0.000 0.459 114 A N 1.502 124.371 122.820 0.082 0.000 2.449 114 A HA 0.836 5.155 4.320 -0.000 0.000 0.302 114 A C -1.041 176.573 177.584 0.049 0.000 1.048 114 A CA -0.787 51.282 52.037 0.053 0.000 0.708 114 A CB 1.032 20.042 19.000 0.016 0.000 1.274 114 A HN 1.013 nan 8.150 nan 0.000 0.410 115 A N 1.541 124.393 122.820 0.052 0.000 2.488 115 A HA 0.438 4.758 4.320 -0.000 0.000 0.249 115 A C 1.044 178.632 177.584 0.007 0.000 1.083 115 A CA 0.246 52.312 52.037 0.048 0.000 0.768 115 A CB -0.512 18.529 19.000 0.067 0.000 1.017 115 A HN 1.681 nan 8.150 nan 0.000 0.496 116 I N -0.487 120.056 120.570 -0.045 0.000 3.291 116 I HA 0.064 4.234 4.170 -0.000 0.000 0.279 116 I C 0.108 176.078 176.117 -0.244 0.000 1.294 116 I CA 0.371 61.577 61.300 -0.156 0.000 1.428 116 I CB -0.355 37.515 38.000 -0.216 0.000 1.070 116 I HN 0.490 nan 8.210 nan 0.000 0.478 117 H N 2.278 121.355 119.070 0.013 0.000 2.469 117 H HA 0.847 5.403 4.556 -0.000 0.000 0.342 117 H C -0.547 174.786 175.328 0.008 0.000 1.115 117 H CA -0.284 55.771 56.048 0.012 0.000 1.204 117 H CB 1.924 31.695 29.762 0.015 0.000 1.492 117 H HN 0.360 nan 8.280 nan 0.000 0.499 118 A N 2.697 125.594 122.820 0.128 0.000 2.586 118 A HA 0.237 4.557 4.320 -0.000 0.000 0.296 118 A C -0.738 176.876 177.584 0.050 0.000 1.040 118 A CA -0.932 51.145 52.037 0.067 0.000 0.701 118 A CB 1.258 20.280 19.000 0.038 0.000 1.277 118 A HN 0.556 nan 8.150 nan 0.000 0.413 119 E N 0.623 120.845 120.200 0.036 0.000 2.404 119 E HA 0.441 4.791 4.350 -0.000 0.000 0.261 119 E C 0.538 177.152 176.600 0.022 0.000 1.074 119 E CA 0.397 56.814 56.400 0.029 0.000 0.917 119 E CB 1.156 30.870 29.700 0.024 0.000 0.965 119 E HN 0.930 nan 8.360 nan 0.000 0.433 120 A N 3.441 126.275 122.820 0.023 0.000 2.354 120 A HA 0.414 4.734 4.320 -0.000 0.000 0.269 120 A C -2.115 175.484 177.584 0.024 0.000 1.109 120 A CA -1.402 50.647 52.037 0.020 0.000 0.800 120 A CB -0.207 18.809 19.000 0.027 0.000 1.045 120 A HN 0.290 nan 8.150 nan 0.000 0.489 121 P HA 0.024 nan 4.420 nan 0.000 0.263 121 P C -0.156 177.167 177.300 0.039 0.000 1.175 121 P CA 0.358 63.468 63.100 0.017 0.000 0.761 121 P CB 0.368 32.070 31.700 0.004 0.000 0.794 122 E N 1.819 122.045 120.200 0.042 0.000 2.392 122 E HA 0.002 4.352 4.350 -0.000 0.000 0.256 122 E C 0.863 177.526 176.600 0.105 0.000 1.145 122 E CA -0.352 56.095 56.400 0.079 0.000 0.929 122 E CB 0.160 29.900 29.700 0.066 0.000 0.998 122 E HN 0.370 nan 8.360 nan 0.000 0.442 123 F N 2.215 122.165 119.950 -0.001 0.000 2.091 123 F HA -0.257 4.270 4.527 -0.000 0.000 0.299 123 F C 1.974 177.772 175.800 -0.003 0.000 1.103 123 F CA 2.014 60.013 58.000 -0.002 0.000 1.228 123 F CB -0.529 38.470 39.000 -0.002 0.000 0.984 123 F HN 0.289 nan 8.300 nan 0.000 0.477 124 V N -1.615 118.265 119.914 -0.057 0.000 2.828 124 V HA -0.223 3.897 4.120 -0.000 0.000 0.260 124 V C 1.463 177.462 176.094 -0.159 0.000 1.101 124 V CA 2.055 64.261 62.300 -0.156 0.000 1.123 124 V CB -1.258 30.544 31.823 -0.035 0.000 0.704 124 V HN 0.463 nan 8.190 nan 0.000 0.493 125 E N 0.063 120.197 120.200 -0.111 0.000 2.479 125 E HA 0.197 4.547 4.350 -0.000 0.000 0.193 125 E C 0.549 177.085 176.600 -0.107 0.000 1.049 125 E CA -0.283 56.066 56.400 -0.085 0.000 0.870 125 E CB -0.009 29.666 29.700 -0.042 0.000 0.944 125 E HN 0.468 nan 8.360 nan 0.000 0.492 126 M N 0.828 120.321 119.600 -0.178 0.000 2.240 126 M HA 0.153 4.633 4.480 -0.000 0.000 0.333 126 M C 0.430 176.642 176.300 -0.147 0.000 1.110 126 M CA -0.057 55.145 55.300 -0.164 0.000 1.173 126 M CB 1.016 33.478 32.600 -0.229 0.000 1.458 126 M HN -0.127 nan 8.290 nan 0.000 0.458 127 S N 0.785 116.428 115.700 -0.096 0.000 2.532 127 S HA 0.637 5.107 4.470 -0.000 0.000 0.301 127 S C 0.235 174.800 174.600 -0.059 0.000 1.083 127 S CA -0.691 57.465 58.200 -0.074 0.000 1.025 127 S CB 1.393 64.563 63.200 -0.050 0.000 1.056 127 S HN 0.635 nan 8.310 nan 0.000 0.494 128 V N 0.430 120.314 119.914 -0.050 0.000 3.528 128 V HA 0.508 4.628 4.120 -0.000 0.000 0.294 128 V C 0.089 176.171 176.094 -0.020 0.000 1.404 128 V CA -0.242 62.038 62.300 -0.033 0.000 1.065 128 V CB -0.249 31.553 31.823 -0.034 0.000 0.904 128 V HN 0.710 nan 8.190 nan 0.000 0.435 129 E N 2.700 122.888 120.200 -0.019 0.000 2.392 129 E HA 0.383 4.733 4.350 -0.000 0.000 0.264 129 E C -0.513 176.085 176.600 -0.002 0.000 1.024 129 E CA 0.459 56.852 56.400 -0.010 0.000 0.903 129 E CB 0.780 30.473 29.700 -0.011 0.000 0.963 129 E HN 0.793 nan 8.360 nan 0.000 0.432 130 Q N 1.771 121.574 119.800 0.005 0.000 2.269 130 Q HA 0.458 4.798 4.340 -0.000 0.000 0.263 130 Q C -0.941 175.072 176.000 0.022 0.000 0.983 130 Q CA -0.417 55.395 55.803 0.014 0.000 0.777 130 Q CB 1.967 30.714 28.738 0.015 0.000 1.273 130 Q HN 0.297 nan 8.270 nan 0.000 0.440 131 E N 2.170 122.389 120.200 0.031 0.000 2.234 131 E HA 0.395 4.745 4.350 -0.000 0.000 0.266 131 E C -0.769 175.865 176.600 0.057 0.000 0.877 131 E CA -0.813 55.611 56.400 0.039 0.000 0.758 131 E CB 2.770 32.490 29.700 0.034 0.000 1.170 131 E HN 0.527 nan 8.360 nan 0.000 0.415 132 I N 2.727 123.337 120.570 0.067 0.000 3.003 132 I HA -0.111 4.059 4.170 -0.000 0.000 0.294 132 I C -0.683 175.486 176.117 0.086 0.000 1.237 132 I CA 0.268 61.620 61.300 0.087 0.000 1.417 132 I CB 0.428 38.488 38.000 0.101 0.000 1.340 132 I HN 0.455 nan 8.210 nan 0.000 0.594 133 L N 8.495 129.779 121.223 0.103 0.000 2.408 133 L HA 0.380 4.720 4.340 -0.000 0.000 0.257 133 L C -0.712 176.202 176.870 0.074 0.000 1.053 133 L CA -0.411 54.490 54.840 0.103 0.000 0.922 133 L CB 0.844 42.989 42.059 0.143 0.000 1.261 133 L HN 0.343 nan 8.230 nan 0.000 0.458 134 V N 3.024 122.969 119.914 0.053 0.000 2.694 134 V HA 0.078 4.198 4.120 -0.000 0.000 0.306 134 V C 1.535 177.633 176.094 0.007 0.000 1.054 134 V CA 1.129 63.442 62.300 0.021 0.000 1.161 134 V CB 0.808 32.645 31.823 0.023 0.000 0.916 134 V HN 0.894 nan 8.190 nan 0.000 0.490 135 T N -0.504 114.026 114.554 -0.041 0.000 2.975 135 T HA 0.348 4.698 4.350 -0.000 0.000 0.257 135 T C 1.341 176.012 174.700 -0.048 0.000 1.003 135 T CA 0.666 62.738 62.100 -0.046 0.000 0.932 135 T CB 0.708 69.497 68.868 -0.132 0.000 1.087 135 T HN 1.548 nan 8.240 nan 0.000 0.512 136 G N 1.901 110.679 108.800 -0.037 0.000 2.176 136 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.253 136 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.253 136 G C 0.005 174.900 174.900 -0.009 0.000 0.979 136 G CA 0.017 45.103 45.100 -0.022 0.000 0.641 136 G HN 0.598 nan 8.290 nan 0.000 0.530 137 I N 1.193 121.751 120.570 -0.020 0.000 2.325 137 I HA 0.226 4.396 4.170 -0.000 0.000 0.291 137 I C 1.580 177.721 176.117 0.040 0.000 1.019 137 I CA -0.402 60.930 61.300 0.054 0.000 1.302 137 I CB 1.170 39.210 38.000 0.067 0.000 1.401 137 I HN 0.066 nan 8.210 nan 0.000 0.485 138 K N 4.054 124.487 120.400 0.055 0.000 1.977 138 K HA -0.146 4.174 4.320 -0.000 0.000 0.218 138 K C 1.831 178.455 176.600 0.041 0.000 1.051 138 K CA 1.540 57.857 56.287 0.050 0.000 0.953 138 K CB -0.264 32.241 32.500 0.007 0.000 0.727 138 K HN 0.525 nan 8.250 nan 0.000 0.445 139 V N 1.297 121.229 119.914 0.031 0.000 2.278 139 V HA -0.276 3.844 4.120 -0.000 0.000 0.251 139 V C 2.400 178.487 176.094 -0.010 0.000 1.062 139 V CA 1.890 64.184 62.300 -0.010 0.000 1.038 139 V CB -0.888 30.949 31.823 0.024 0.000 0.646 139 V HN 0.123 nan 8.190 nan 0.000 0.447 140 V N 0.490 120.400 119.914 -0.007 0.000 2.216 140 V HA -0.271 3.849 4.120 -0.000 0.000 0.243 140 V C 2.439 178.492 176.094 -0.069 0.000 1.044 140 V CA 2.443 64.699 62.300 -0.073 0.000 0.995 140 V CB -0.841 30.840 31.823 -0.238 0.000 0.633 140 V HN 0.536 nan 8.190 nan 0.000 0.446 141 D N -0.274 120.085 120.400 -0.069 0.000 2.149 141 D HA -0.202 4.438 4.640 -0.000 0.000 0.194 141 D C 1.940 178.316 176.300 0.126 0.000 1.001 141 D CA 1.636 55.639 54.000 0.005 0.000 0.849 141 D CB -0.195 40.597 40.800 -0.014 0.000 0.939 141 D HN 0.332 nan 8.370 nan 0.000 0.449 142 L N 0.252 121.523 121.223 0.079 0.000 1.993 142 L HA -0.056 4.284 4.340 -0.000 0.000 0.206 142 L C 2.303 179.255 176.870 0.137 0.000 1.074 142 L CA 1.364 56.277 54.840 0.121 0.000 0.746 142 L CB -0.445 41.552 42.059 -0.104 0.000 0.896 142 L HN -0.041 nan 8.230 nan 0.000 0.435 143 L N -0.768 120.460 121.223 0.008 0.000 2.162 143 L HA 0.194 4.534 4.340 -0.000 0.000 0.205 143 L C 0.832 177.719 176.870 0.029 0.000 1.086 143 L CA 0.625 55.459 54.840 -0.009 0.000 0.778 143 L CB -0.384 41.646 42.059 -0.049 0.000 0.928 143 L HN 0.325 nan 8.230 nan 0.000 0.446 144 A N 0.252 123.108 122.820 0.059 0.000 3.300 144 A HA 0.441 4.761 4.320 -0.000 0.000 0.300 144 A C -2.595 175.070 177.584 0.136 0.000 1.099 144 A CA -1.021 51.078 52.037 0.103 0.000 0.846 144 A CB -0.160 18.925 19.000 0.142 0.000 1.255 144 A HN -0.149 nan 8.150 nan 0.000 0.519 145 P HA 0.032 nan 4.420 nan 0.000 0.264 145 P C -0.625 176.824 177.300 0.248 0.000 1.183 145 P CA 0.655 63.816 63.100 0.103 0.000 0.763 145 P CB 0.348 32.115 31.700 0.111 0.000 0.807 146 Y N 1.356 121.699 120.300 0.071 0.000 2.299 146 Y HA 0.478 5.027 4.550 -0.000 0.000 0.335 146 Y C 1.195 177.123 175.900 0.046 0.000 1.287 146 Y CA -1.394 56.740 58.100 0.056 0.000 1.424 146 Y CB -0.072 38.419 38.460 0.052 0.000 1.326 146 Y HN 0.448 nan 8.280 nan 0.000 0.567 147 A N 1.198 124.137 122.820 0.198 0.000 2.387 147 A HA 0.593 4.913 4.320 -0.000 0.000 0.298 147 A C -0.773 176.860 177.584 0.080 0.000 1.165 147 A CA -1.100 51.005 52.037 0.113 0.000 0.814 147 A CB 1.136 20.179 19.000 0.071 0.000 1.357 147 A HN 0.653 nan 8.150 nan 0.000 0.443 148 K N 0.111 120.545 120.400 0.057 0.000 2.284 148 K HA 0.446 4.766 4.320 -0.000 0.000 0.287 148 K C 0.739 177.347 176.600 0.013 0.000 1.081 148 K CA 0.859 57.169 56.287 0.040 0.000 0.910 148 K CB 0.140 32.668 32.500 0.046 0.000 1.088 148 K HN 1.704 nan 8.250 nan 0.000 0.478 149 G N 2.665 111.459 108.800 -0.010 0.000 2.132 149 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.234 149 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.234 149 G C 0.253 175.132 174.900 -0.036 0.000 0.989 149 G CA -0.159 44.924 45.100 -0.028 0.000 0.676 149 G HN 0.874 nan 8.290 nan 0.000 0.522 150 G N -0.780 107.998 108.800 -0.036 0.000 2.531 150 G HA2 0.610 4.570 3.960 -0.000 0.000 0.313 150 G HA3 0.610 4.570 3.960 -0.000 0.000 0.313 150 G C -0.269 174.583 174.900 -0.080 0.000 1.238 150 G CA -0.800 44.277 45.100 -0.038 0.000 0.994 150 G HN 0.302 nan 8.290 nan 0.000 0.493 151 K N 0.157 120.515 120.400 -0.070 0.000 2.281 151 K HA 0.376 4.696 4.320 -0.000 0.000 0.272 151 K C -0.881 175.641 176.600 -0.129 0.000 1.048 151 K CA -0.239 55.989 56.287 -0.097 0.000 0.898 151 K CB 1.367 33.839 32.500 -0.046 0.000 1.128 151 K HN 0.199 nan 8.250 nan 0.000 0.460 152 I N 1.394 121.828 120.570 -0.227 0.000 2.437 152 I HA 0.368 4.538 4.170 -0.000 0.000 0.298 152 I C 0.615 176.593 176.117 -0.232 0.000 0.984 152 I CA -0.304 60.799 61.300 -0.328 0.000 1.214 152 I CB 1.973 39.563 38.000 -0.684 0.000 1.365 152 I HN 0.550 nan 8.210 nan 0.000 0.469 153 G N 5.737 114.445 108.800 -0.154 0.000 2.542 153 G HA2 0.736 4.696 3.960 -0.000 0.000 0.311 153 G HA3 0.736 4.696 3.960 -0.000 0.000 0.311 153 G C -1.212 173.620 174.900 -0.114 0.000 1.298 153 G CA -0.636 44.336 45.100 -0.213 0.000 0.973 153 G HN 0.472 nan 8.290 nan 0.000 0.487 154 L N 1.492 122.612 121.223 -0.171 0.000 2.295 154 L HA 0.504 4.844 4.340 -0.000 0.000 0.281 154 L C -0.941 175.888 176.870 -0.069 0.000 1.018 154 L CA -0.650 54.198 54.840 0.013 0.000 0.841 154 L CB 0.983 43.096 42.059 0.089 0.000 1.218 154 L HN 0.277 nan 8.230 nan 0.000 0.424 155 F N 1.336 121.289 119.950 0.006 0.000 2.385 155 F HA 0.819 5.346 4.527 -0.000 0.000 0.336 155 F C 0.970 176.777 175.800 0.012 0.000 1.100 155 F CA -0.374 57.605 58.000 -0.035 0.000 1.116 155 F CB 2.016 40.970 39.000 -0.076 0.000 1.166 155 F HN 0.505 nan 8.300 nan 0.000 0.511 156 G N 0.665 109.555 108.800 0.151 0.000 2.556 156 G HA2 0.476 4.436 3.960 -0.000 0.000 0.294 156 G HA3 0.476 4.436 3.960 -0.000 0.000 0.294 156 G C -0.605 174.309 174.900 0.022 0.000 1.516 156 G CA -0.356 44.807 45.100 0.105 0.000 0.824 156 G HN 0.923 nan 8.290 nan 0.000 0.535 157 G N -0.476 108.326 108.800 0.003 0.000 2.583 157 G HA2 0.619 4.579 3.960 -0.000 0.000 0.275 157 G HA3 0.619 4.579 3.960 -0.000 0.000 0.275 157 G C 0.654 175.660 174.900 0.176 0.000 1.342 157 G CA 0.431 45.521 45.100 -0.017 0.000 1.030 157 G HN 1.691 nan 8.290 nan 0.000 0.520 158 A N -1.232 121.739 122.820 0.251 0.000 2.350 158 A HA 0.579 4.899 4.320 -0.000 0.000 0.293 158 A C 1.170 178.836 177.584 0.137 0.000 1.231 158 A CA 0.718 52.909 52.037 0.257 0.000 0.883 158 A CB -0.470 18.680 19.000 0.251 0.000 1.133 158 A HN 2.481 nan 8.150 nan 0.000 0.533 159 G N 1.173 110.039 108.800 0.111 0.000 2.165 159 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.226 159 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.226 159 G C 0.552 175.506 174.900 0.090 0.000 1.035 159 G CA 0.643 45.784 45.100 0.068 0.000 0.744 159 G HN 2.005 nan 8.290 nan 0.000 0.501 160 V N -3.779 116.205 119.914 0.117 0.000 3.565 160 V HA 0.693 4.813 4.120 -0.000 0.000 0.260 160 V C 1.722 177.929 176.094 0.188 0.000 1.231 160 V CA 1.343 63.736 62.300 0.155 0.000 1.100 160 V CB 0.501 32.401 31.823 0.128 0.000 0.807 160 V HN 2.070 nan 8.190 nan 0.000 0.454 161 G N 0.336 109.216 108.800 0.134 0.000 2.321 161 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.174 161 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.174 161 G C 0.668 175.662 174.900 0.157 0.000 1.008 161 G CA 0.162 45.341 45.100 0.130 0.000 0.739 161 G HN 0.378 nan 8.290 nan 0.000 0.502 162 K N 0.136 120.625 120.400 0.148 0.000 2.034 162 K HA -0.125 4.195 4.320 -0.000 0.000 0.214 162 K C 2.455 179.147 176.600 0.154 0.000 1.051 162 K CA 2.065 58.442 56.287 0.150 0.000 0.931 162 K CB -0.374 32.205 32.500 0.131 0.000 0.715 162 K HN 0.291 nan 8.250 nan 0.000 0.446 163 T N 1.174 115.811 114.554 0.139 0.000 2.737 163 T HA -0.087 4.263 4.350 -0.000 0.000 0.265 163 T C 2.098 176.886 174.700 0.147 0.000 1.038 163 T CA 1.071 63.258 62.100 0.146 0.000 1.144 163 T CB -0.213 68.736 68.868 0.135 0.000 0.866 163 T HN -0.050 nan 8.240 nan 0.000 0.434 164 V N 1.940 121.942 119.914 0.146 0.000 2.250 164 V HA -0.189 3.931 4.120 -0.000 0.000 0.250 164 V C 2.462 178.686 176.094 0.216 0.000 1.060 164 V CA 1.829 64.242 62.300 0.189 0.000 1.030 164 V CB -0.737 31.201 31.823 0.192 0.000 0.643 164 V HN 0.364 nan 8.190 nan 0.000 0.445 165 L N -0.322 121.057 121.223 0.260 0.000 2.079 165 L HA -0.159 4.181 4.340 -0.000 0.000 0.210 165 L C 2.098 179.050 176.870 0.137 0.000 1.081 165 L CA 1.938 56.935 54.840 0.261 0.000 0.752 165 L CB -0.596 41.655 42.059 0.319 0.000 0.896 165 L HN 0.320 nan 8.230 nan 0.000 0.433 166 I N -1.587 119.075 120.570 0.153 0.000 2.617 166 I HA -0.218 3.952 4.170 -0.000 0.000 0.256 166 I C 1.970 178.122 176.117 0.058 0.000 1.167 166 I CA 0.542 61.934 61.300 0.154 0.000 1.469 166 I CB 0.090 38.212 38.000 0.204 0.000 1.098 166 I HN 0.288 nan 8.210 nan 0.000 0.436 167 M N 0.040 119.664 119.600 0.040 0.000 2.132 167 M HA -0.175 4.305 4.480 -0.000 0.000 0.263 167 M C 2.104 178.357 176.300 -0.078 0.000 1.065 167 M CA 1.482 56.766 55.300 -0.027 0.000 1.122 167 M CB -1.306 31.303 32.600 0.016 0.000 1.365 167 M HN 0.119 nan 8.290 nan 0.000 0.411 168 E N 0.676 120.813 120.200 -0.105 0.000 2.118 168 E HA -0.112 4.238 4.350 -0.000 0.000 0.195 168 E C 2.022 178.518 176.600 -0.173 0.000 0.992 168 E CA 1.242 57.494 56.400 -0.248 0.000 0.804 168 E CB -0.356 28.949 29.700 -0.658 0.000 0.741 168 E HN 0.510 nan 8.360 nan 0.000 0.458 169 L N -0.411 120.766 121.223 -0.076 0.000 2.109 169 L HA -0.048 4.292 4.340 -0.000 0.000 0.207 169 L C 2.439 179.322 176.870 0.022 0.000 1.086 169 L CA 0.752 55.614 54.840 0.036 0.000 0.760 169 L CB -0.281 41.899 42.059 0.201 0.000 0.910 169 L HN 0.151 nan 8.230 nan 0.000 0.437 170 I N 0.089 120.574 120.570 -0.141 0.000 2.315 170 I HA -0.285 3.885 4.170 -0.000 0.000 0.248 170 I C 2.286 178.333 176.117 -0.116 0.000 1.117 170 I CA 1.387 62.514 61.300 -0.288 0.000 1.404 170 I CB -0.260 37.437 38.000 -0.507 0.000 1.071 170 I HN 0.354 nan 8.210 nan 0.000 0.419 171 N N 0.942 119.581 118.700 -0.102 0.000 2.084 171 N HA -0.201 4.539 4.740 -0.000 0.000 0.190 171 N C 1.565 177.053 175.510 -0.038 0.000 1.030 171 N CA 1.857 54.865 53.050 -0.070 0.000 0.849 171 N CB 0.094 38.531 38.487 -0.082 0.000 1.012 171 N HN 0.239 nan 8.380 nan 0.000 0.423 172 N N -0.489 118.190 118.700 -0.034 0.000 2.245 172 N HA -0.010 4.730 4.740 -0.000 0.000 0.185 172 N C 1.722 177.255 175.510 0.039 0.000 1.036 172 N CA 0.985 54.030 53.050 -0.009 0.000 0.857 172 N CB -0.596 37.874 38.487 -0.029 0.000 1.015 172 N HN 0.070 nan 8.380 nan 0.000 0.436 173 V N 1.377 121.336 119.914 0.075 0.000 2.407 173 V HA 0.013 4.133 4.120 -0.000 0.000 0.245 173 V C 2.339 178.533 176.094 0.166 0.000 1.041 173 V CA 1.710 64.086 62.300 0.128 0.000 1.040 173 V CB -0.918 31.008 31.823 0.172 0.000 0.671 173 V HN 0.304 nan 8.190 nan 0.000 0.455 174 A N -0.370 122.549 122.820 0.165 0.000 1.930 174 A HA -0.110 4.210 4.320 -0.000 0.000 0.215 174 A C 2.257 179.934 177.584 0.155 0.000 1.176 174 A CA 1.266 53.419 52.037 0.195 0.000 0.632 174 A CB -0.343 18.761 19.000 0.173 0.000 0.819 174 A HN 0.470 nan 8.150 nan 0.000 0.445 175 K N -0.244 120.204 120.400 0.080 0.000 2.147 175 K HA -0.064 4.256 4.320 -0.000 0.000 0.205 175 K C 1.748 178.388 176.600 0.067 0.000 1.049 175 K CA 1.142 57.463 56.287 0.057 0.000 0.936 175 K CB -0.193 32.318 32.500 0.018 0.000 0.722 175 K HN 0.439 nan 8.250 nan 0.000 0.446 176 A N 0.534 123.403 122.820 0.082 0.000 2.308 176 A HA -0.017 4.303 4.320 -0.000 0.000 0.217 176 A C 0.245 177.880 177.584 0.086 0.000 1.216 176 A CA -0.110 51.965 52.037 0.064 0.000 0.864 176 A CB -0.359 18.672 19.000 0.051 0.000 0.902 176 A HN 0.289 nan 8.150 nan 0.000 0.499 177 H N 0.285 119.377 119.070 0.037 0.000 2.803 177 H HA 0.428 4.984 4.556 -0.000 0.000 0.330 177 H C 0.623 175.955 175.328 0.007 0.000 1.057 177 H CA 0.477 56.545 56.048 0.033 0.000 1.458 177 H CB 0.753 30.555 29.762 0.067 0.000 1.470 177 H HN 0.102 nan 8.280 nan 0.000 0.560 178 G N 3.424 111.871 108.800 -0.587 0.000 2.404 178 G HA2 0.550 4.510 3.960 -0.000 0.000 0.316 178 G HA3 0.550 4.510 3.960 -0.000 0.000 0.316 178 G C -0.285 174.150 174.900 -0.775 0.000 1.074 178 G CA 0.190 44.999 45.100 -0.484 0.000 0.989 178 G HN 0.983 nan 8.290 nan 0.000 0.430 179 G N 1.158 109.619 108.800 -0.565 0.000 2.368 179 G HA2 0.285 4.245 3.960 -0.000 0.000 0.302 179 G HA3 0.285 4.245 3.960 -0.000 0.000 0.302 179 G C -1.299 173.557 174.900 -0.074 0.000 1.329 179 G CA -1.060 43.792 45.100 -0.412 0.000 0.935 179 G HN 0.422 nan 8.290 nan 0.000 0.590 180 Y N 0.059 120.338 120.300 -0.036 0.000 2.326 180 Y HA 0.798 5.348 4.550 -0.000 0.000 0.324 180 Y C 1.049 176.927 175.900 -0.036 0.000 1.291 180 Y CA -0.973 57.017 58.100 -0.184 0.000 1.348 180 Y CB 1.688 39.685 38.460 -0.771 0.000 1.294 180 Y HN 0.508 nan 8.280 nan 0.000 0.525 181 S N 0.140 115.941 115.700 0.169 0.000 2.549 181 S HA 0.746 5.216 4.470 -0.000 0.000 0.280 181 S C -1.396 173.347 174.600 0.238 0.000 1.109 181 S CA -0.763 57.552 58.200 0.193 0.000 0.905 181 S CB 1.912 65.283 63.200 0.285 0.000 1.081 181 S HN 0.302 nan 8.310 nan 0.000 0.477 182 V N 2.963 123.034 119.914 0.261 0.000 2.656 182 V HA 0.615 4.735 4.120 -0.000 0.000 0.307 182 V C -1.355 174.924 176.094 0.308 0.000 1.051 182 V CA -0.674 61.783 62.300 0.262 0.000 0.893 182 V CB 1.611 33.556 31.823 0.202 0.000 0.999 182 V HN 0.830 nan 8.190 nan 0.000 0.426 183 F N 3.608 123.639 119.950 0.136 0.000 2.507 183 F HA 0.810 5.337 4.527 -0.000 0.000 0.328 183 F C 0.059 175.807 175.800 -0.088 0.000 1.136 183 F CA -0.643 57.413 58.000 0.094 0.000 0.930 183 F CB 1.523 40.578 39.000 0.091 0.000 1.166 183 F HN 0.569 nan 8.300 nan 0.000 0.436 184 A N 4.344 126.897 122.820 -0.445 0.000 2.267 184 A HA 0.652 4.972 4.320 -0.000 0.000 0.315 184 A C -0.065 177.221 177.584 -0.496 0.000 1.297 184 A CA -0.341 51.470 52.037 -0.376 0.000 0.865 184 A CB 0.294 19.129 19.000 -0.275 0.000 1.165 184 A HN 1.052 nan 8.150 nan 0.000 0.513 185 G N 1.429 109.920 108.800 -0.516 0.000 2.356 185 G HA2 0.499 4.459 3.960 -0.000 0.000 0.300 185 G HA3 0.499 4.459 3.960 -0.000 0.000 0.300 185 G C -0.571 174.258 174.900 -0.119 0.000 1.107 185 G CA -0.138 44.811 45.100 -0.251 0.000 0.960 185 G HN 0.731 nan 8.290 nan 0.000 0.418 186 V N 2.643 122.526 119.914 -0.051 0.000 2.350 186 V HA 0.627 4.747 4.120 -0.000 0.000 0.285 186 V C 1.136 177.251 176.094 0.035 0.000 1.014 186 V CA 0.278 62.570 62.300 -0.013 0.000 0.831 186 V CB 0.860 32.660 31.823 -0.037 0.000 1.000 186 V HN 1.351 nan 8.190 nan 0.000 0.433 187 G N 3.294 112.123 108.800 0.047 0.000 2.203 187 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.263 187 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.263 187 G C 0.138 175.074 174.900 0.059 0.000 1.012 187 G CA 0.442 45.567 45.100 0.042 0.000 0.749 187 G HN 0.590 nan 8.290 nan 0.000 0.512 188 E N -0.647 119.611 120.200 0.097 0.000 2.390 188 E HA 0.483 4.833 4.350 -0.000 0.000 0.249 188 E C 0.939 177.605 176.600 0.110 0.000 0.981 188 E CA -1.040 55.423 56.400 0.106 0.000 0.860 188 E CB 0.554 30.337 29.700 0.139 0.000 1.278 188 E HN 0.402 nan 8.360 nan 0.000 0.416 189 R N 0.105 120.662 120.500 0.096 0.000 2.570 189 R HA 0.096 4.436 4.340 -0.000 0.000 0.277 189 R C 1.150 177.489 176.300 0.065 0.000 1.039 189 R CA 0.244 56.384 56.100 0.068 0.000 1.065 189 R CB 0.148 30.479 30.300 0.052 0.000 0.964 189 R HN 0.438 nan 8.270 nan 0.000 0.428 190 T N 2.278 116.845 114.554 0.021 0.000 2.737 190 T HA -0.157 4.193 4.350 -0.000 0.000 0.265 190 T C 1.793 176.449 174.700 -0.074 0.000 1.038 190 T CA 1.231 63.308 62.100 -0.038 0.000 1.144 190 T CB -0.152 68.688 68.868 -0.047 0.000 0.866 190 T HN 0.601 nan 8.240 nan 0.000 0.434 191 R N 1.414 121.887 120.500 -0.044 0.000 2.153 191 R HA -0.219 4.121 4.340 -0.000 0.000 0.252 191 R C 2.000 178.272 176.300 -0.047 0.000 1.158 191 R CA 2.033 58.103 56.100 -0.050 0.000 0.975 191 R CB -0.254 30.033 30.300 -0.023 0.000 0.871 191 R HN 0.502 nan 8.270 nan 0.000 0.450 192 E N -0.965 119.230 120.200 -0.008 0.000 2.204 192 E HA -0.092 4.257 4.350 -0.000 0.000 0.194 192 E C 1.885 178.468 176.600 -0.029 0.000 0.989 192 E CA 0.929 57.337 56.400 0.015 0.000 0.824 192 E CB -0.115 29.631 29.700 0.076 0.000 0.756 192 E HN 0.644 nan 8.360 nan 0.000 0.477 193 G N 1.201 109.938 108.800 -0.105 0.000 2.402 193 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.216 193 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.216 193 G C 1.440 176.178 174.900 -0.269 0.000 1.162 193 G CA 0.935 45.819 45.100 -0.361 0.000 0.777 193 G HN 0.203 nan 8.290 nan 0.000 0.539 194 N N 0.480 119.055 118.700 -0.209 0.000 2.188 194 N HA -0.078 4.662 4.740 -0.000 0.000 0.184 194 N C 1.680 177.123 175.510 -0.111 0.000 1.018 194 N CA 1.538 54.487 53.050 -0.169 0.000 0.858 194 N CB -0.102 38.256 38.487 -0.215 0.000 0.989 194 N HN 0.142 nan 8.380 nan 0.000 0.426 195 D N -0.065 120.285 120.400 -0.083 0.000 2.084 195 D HA -0.134 4.506 4.640 -0.000 0.000 0.194 195 D C 1.846 178.143 176.300 -0.005 0.000 0.990 195 D CA 0.688 54.663 54.000 -0.043 0.000 0.826 195 D CB -0.501 40.283 40.800 -0.027 0.000 0.971 195 D HN 0.207 nan 8.370 nan 0.000 0.453 196 L N -0.133 121.074 121.223 -0.026 0.000 2.042 196 L HA -0.207 4.133 4.340 -0.000 0.000 0.210 196 L C 2.175 179.073 176.870 0.047 0.000 1.076 196 L CA 1.563 56.373 54.840 -0.049 0.000 0.749 196 L CB -0.737 41.224 42.059 -0.164 0.000 0.893 196 L HN 0.089 nan 8.230 nan 0.000 0.432 197 Y N -0.198 120.081 120.300 -0.036 0.000 2.145 197 Y HA -0.284 4.266 4.550 -0.000 0.000 0.286 197 Y C 2.689 178.645 175.900 0.093 0.000 1.145 197 Y CA 2.186 60.309 58.100 0.040 0.000 1.148 197 Y CB -0.653 37.871 38.460 0.106 0.000 0.981 197 Y HN 0.405 nan 8.280 nan 0.000 0.507 198 H N -0.720 118.296 119.070 -0.090 0.000 2.462 198 H HA -0.084 4.472 4.556 -0.000 0.000 0.292 198 H C 1.824 177.064 175.328 -0.147 0.000 1.049 198 H CA 1.194 57.130 56.048 -0.187 0.000 1.334 198 H CB 0.253 29.962 29.762 -0.088 0.000 1.404 198 H HN 0.534 nan 8.280 nan 0.000 0.544 199 E N 0.339 120.547 120.200 0.012 0.000 2.152 199 E HA -0.085 4.265 4.350 -0.000 0.000 0.192 199 E C 2.086 178.646 176.600 -0.065 0.000 0.983 199 E CA 0.463 56.844 56.400 -0.032 0.000 0.818 199 E CB 0.165 29.846 29.700 -0.031 0.000 0.758 199 E HN 0.402 nan 8.360 nan 0.000 0.467 200 M N 0.148 119.703 119.600 -0.075 0.000 2.200 200 M HA -0.072 4.408 4.480 -0.000 0.000 0.265 200 M C 2.150 178.381 176.300 -0.115 0.000 1.066 200 M CA 1.046 56.300 55.300 -0.077 0.000 1.127 200 M CB -0.015 32.559 32.600 -0.042 0.000 1.379 200 M HN 0.115 nan 8.290 nan 0.000 0.420 201 I N 0.150 120.596 120.570 -0.207 0.000 2.226 201 I HA -0.286 3.884 4.170 -0.000 0.000 0.245 201 I C 2.378 178.400 176.117 -0.160 0.000 1.100 201 I CA 1.120 62.275 61.300 -0.242 0.000 1.374 201 I CB -0.332 37.420 38.000 -0.414 0.000 1.057 201 I HN 0.251 nan 8.210 nan 0.000 0.413 202 E N 0.484 120.603 120.200 -0.136 0.000 2.047 202 E HA -0.178 4.172 4.350 -0.000 0.000 0.191 202 E C 2.293 178.851 176.600 -0.070 0.000 0.987 202 E CA 1.753 58.096 56.400 -0.094 0.000 0.799 202 E CB -0.508 29.148 29.700 -0.075 0.000 0.752 202 E HN 0.525 nan 8.360 nan 0.000 0.449 203 S N -0.591 115.072 115.700 -0.062 0.000 2.603 203 S HA 0.090 4.560 4.470 -0.000 0.000 0.229 203 S C 1.660 176.236 174.600 -0.040 0.000 0.972 203 S CA 0.910 59.083 58.200 -0.045 0.000 0.935 203 S CB -0.123 63.053 63.200 -0.040 0.000 0.769 203 S HN 0.369 nan 8.310 nan 0.000 0.536 204 G N 0.343 109.112 108.800 -0.052 0.000 2.212 204 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.266 204 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.266 204 G C 0.825 175.709 174.900 -0.026 0.000 0.978 204 G CA 0.339 45.414 45.100 -0.042 0.000 0.632 204 G HN 0.619 nan 8.290 nan 0.000 0.537 205 V N 0.241 120.142 119.914 -0.021 0.000 2.380 205 V HA -0.009 4.111 4.120 -0.000 0.000 0.251 205 V C 1.599 177.697 176.094 0.007 0.000 1.063 205 V CA 2.138 64.440 62.300 0.003 0.000 1.055 205 V CB -0.158 31.669 31.823 0.006 0.000 0.657 205 V HN 0.517 nan 8.190 nan 0.000 0.455 206 I N 0.516 121.073 120.570 -0.021 0.000 2.404 206 I HA 0.327 4.497 4.170 -0.000 0.000 0.293 206 I C -0.256 175.830 176.117 -0.051 0.000 0.992 206 I CA -0.218 61.071 61.300 -0.019 0.000 1.149 206 I CB 1.520 39.510 38.000 -0.017 0.000 1.315 206 I HN 0.096 nan 8.210 nan 0.000 0.446 207 N N 6.821 125.502 118.700 -0.031 0.000 2.443 207 N HA 0.354 5.094 4.740 -0.000 0.000 0.269 207 N C 0.168 175.657 175.510 -0.034 0.000 0.985 207 N CA -0.402 52.623 53.050 -0.041 0.000 0.921 207 N CB 1.759 40.233 38.487 -0.023 0.000 1.195 207 N HN 0.562 nan 8.380 nan 0.000 0.492 208 L N 2.315 123.505 121.223 -0.055 0.000 2.418 208 L HA 0.136 4.476 4.340 -0.000 0.000 0.218 208 L C 1.721 178.577 176.870 -0.022 0.000 1.125 208 L CA 0.524 55.343 54.840 -0.035 0.000 0.835 208 L CB 0.012 42.035 42.059 -0.060 0.000 0.953 208 L HN 0.292 nan 8.230 nan 0.000 0.454 209 K N 0.515 120.899 120.400 -0.027 0.000 2.393 209 K HA 0.118 4.438 4.320 -0.000 0.000 0.193 209 K C -0.270 176.323 176.600 -0.011 0.000 1.026 209 K CA 0.372 56.647 56.287 -0.019 0.000 1.064 209 K CB 0.164 32.650 32.500 -0.023 0.000 0.833 209 K HN 0.553 nan 8.250 nan 0.000 0.521 210 D N -2.238 118.157 120.400 -0.009 0.000 3.103 210 D HA 0.270 4.910 4.640 -0.000 0.000 0.337 210 D C -0.809 175.492 176.300 0.001 0.000 1.356 210 D CA -0.810 53.188 54.000 -0.002 0.000 0.951 210 D CB 0.266 41.065 40.800 -0.002 0.000 1.438 210 D HN -0.186 nan 8.370 nan 0.000 0.562 211 A N -0.268 122.555 122.820 0.006 0.000 2.833 211 A HA 0.392 4.712 4.320 -0.000 0.000 0.293 211 A C 0.838 178.432 177.584 0.017 0.000 1.338 211 A CA 0.124 52.166 52.037 0.009 0.000 0.959 211 A CB -1.029 17.980 19.000 0.014 0.000 1.094 211 A HN 0.509 nan 8.150 nan 0.000 0.569 212 T N -2.873 111.689 114.554 0.014 0.000 3.086 212 T HA 0.135 4.485 4.350 -0.000 0.000 0.250 212 T C 0.758 175.475 174.700 0.029 0.000 1.074 212 T CA 0.124 62.239 62.100 0.024 0.000 0.988 212 T CB -0.159 68.718 68.868 0.014 0.000 0.988 212 T HN 0.213 nan 8.240 nan 0.000 0.530 213 S N 2.054 117.763 115.700 0.014 0.000 2.546 213 S HA 0.146 4.616 4.470 -0.000 0.000 0.290 213 S C 0.977 175.589 174.600 0.020 0.000 1.290 213 S CA -0.169 58.040 58.200 0.015 0.000 1.069 213 S CB 0.563 63.769 63.200 0.009 0.000 0.846 213 S HN 0.365 nan 8.310 nan 0.000 0.495 214 K N 1.431 121.866 120.400 0.057 0.000 2.402 214 K HA 0.232 4.552 4.320 -0.000 0.000 0.204 214 K C -0.812 175.852 176.600 0.106 0.000 1.056 214 K CA 0.161 56.520 56.287 0.119 0.000 1.069 214 K CB 0.847 33.443 32.500 0.160 0.000 0.888 214 K HN 0.352 nan 8.250 nan 0.000 0.546 215 V N 1.272 121.234 119.914 0.081 0.000 2.577 215 V HA 0.460 4.579 4.120 -0.000 0.000 0.303 215 V C -0.628 175.543 176.094 0.128 0.000 1.042 215 V CA -1.146 61.230 62.300 0.126 0.000 0.872 215 V CB 1.609 33.517 31.823 0.141 0.000 0.998 215 V HN 0.133 nan 8.190 nan 0.000 0.423 216 A N 5.743 128.666 122.820 0.172 0.000 2.312 216 A HA 0.938 5.258 4.320 -0.000 0.000 0.328 216 A C -0.811 176.889 177.584 0.193 0.000 1.158 216 A CA -0.527 51.615 52.037 0.175 0.000 0.821 216 A CB 0.838 19.968 19.000 0.217 0.000 1.170 216 A HN 0.798 nan 8.150 nan 0.000 0.490 217 L N 1.992 123.318 121.223 0.172 0.000 2.365 217 L HA 0.647 4.987 4.340 -0.000 0.000 0.273 217 L C -1.095 175.856 176.870 0.136 0.000 1.000 217 L CA -0.938 54.025 54.840 0.205 0.000 0.819 217 L CB 2.000 44.237 42.059 0.295 0.000 1.284 217 L HN 0.417 nan 8.230 nan 0.000 0.418 218 V N 2.490 122.425 119.914 0.035 0.000 2.525 218 V HA 0.457 4.577 4.120 -0.000 0.000 0.299 218 V C -1.243 174.768 176.094 -0.139 0.000 1.034 218 V CA -0.651 61.644 62.300 -0.008 0.000 0.863 218 V CB 1.773 33.566 31.823 -0.049 0.000 0.999 218 V HN 0.455 nan 8.190 nan 0.000 0.423 219 Y N 1.514 121.836 120.300 0.037 0.000 2.485 219 Y HA 0.783 5.333 4.550 -0.000 0.000 0.345 219 Y C 0.658 176.572 175.900 0.023 0.000 0.998 219 Y CA -0.578 57.547 58.100 0.042 0.000 1.059 219 Y CB 2.797 41.272 38.460 0.024 0.000 1.234 219 Y HN 0.716 nan 8.280 nan 0.000 0.461 220 G N 3.117 112.018 108.800 0.168 0.000 4.220 220 G HA2 0.184 4.144 3.960 -0.000 0.000 0.256 220 G HA3 0.184 4.144 3.960 -0.000 0.000 0.256 220 G C -0.901 174.061 174.900 0.103 0.000 1.520 220 G CA -0.571 44.590 45.100 0.101 0.000 0.608 220 G HN 0.301 nan 8.290 nan 0.000 0.415 221 Q N 0.387 120.270 119.800 0.139 0.000 2.527 221 Q HA 0.308 4.647 4.340 -0.000 0.000 0.189 221 Q C 1.976 178.013 176.000 0.061 0.000 1.116 221 Q CA -0.540 55.332 55.803 0.115 0.000 1.169 221 Q CB 0.496 29.309 28.738 0.125 0.000 1.211 221 Q HN 0.444 nan 8.270 nan 0.000 0.649 222 M N 1.367 120.996 119.600 0.049 0.000 2.346 222 M HA -0.193 4.287 4.480 -0.000 0.000 0.263 222 M C 1.275 177.586 176.300 0.018 0.000 1.064 222 M CA 1.214 56.530 55.300 0.027 0.000 1.083 222 M CB -0.239 32.375 32.600 0.023 0.000 1.399 222 M HN 0.523 nan 8.290 nan 0.000 0.435 223 N N -0.205 118.507 118.700 0.020 0.000 2.467 223 N HA -0.021 4.719 4.740 -0.000 0.000 0.184 223 N C 0.076 175.593 175.510 0.012 0.000 1.106 223 N CA 0.478 53.536 53.050 0.012 0.000 0.892 223 N CB -0.129 38.363 38.487 0.009 0.000 0.969 223 N HN 0.234 nan 8.380 nan 0.000 0.454 224 E N 1.287 121.497 120.200 0.017 0.000 2.312 224 E HA 0.397 4.747 4.350 -0.000 0.000 0.259 224 E C -2.185 174.419 176.600 0.007 0.000 1.122 224 E CA -1.797 54.611 56.400 0.015 0.000 0.922 224 E CB 0.392 30.105 29.700 0.023 0.000 1.109 224 E HN 0.181 nan 8.360 nan 0.000 0.442 225 P HA 0.135 nan 4.420 nan 0.000 0.276 225 P C -1.945 175.350 177.300 -0.009 0.000 1.261 225 P CA -1.191 61.908 63.100 -0.002 0.000 0.800 225 P CB -0.039 31.661 31.700 -0.000 0.000 1.066 226 P HA -0.198 nan 4.420 nan 0.000 0.215 226 P C 1.596 178.876 177.300 -0.033 0.000 1.157 226 P CA 2.056 65.136 63.100 -0.033 0.000 0.868 226 P CB -0.734 30.942 31.700 -0.040 0.000 0.788 227 G N 0.387 109.175 108.800 -0.020 0.000 2.469 227 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.220 227 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.220 227 G C 1.811 176.710 174.900 -0.001 0.000 1.136 227 G CA 1.331 46.425 45.100 -0.011 0.000 0.759 227 G HN 0.419 nan 8.290 nan 0.000 0.562 228 A N 0.637 123.459 122.820 0.003 0.000 1.872 228 A HA 0.087 4.407 4.320 -0.000 0.000 0.214 228 A C 2.436 180.026 177.584 0.011 0.000 1.187 228 A CA 1.444 53.488 52.037 0.011 0.000 0.614 228 A CB -0.344 18.666 19.000 0.016 0.000 0.826 228 A HN 0.336 nan 8.150 nan 0.000 0.442 229 R N -0.431 120.070 120.500 0.002 0.000 2.152 229 R HA -0.026 4.314 4.340 -0.000 0.000 0.232 229 R C 2.105 178.410 176.300 0.008 0.000 1.117 229 R CA 1.003 57.104 56.100 0.002 0.000 0.981 229 R CB -0.329 29.963 30.300 -0.013 0.000 0.870 229 R HN 0.497 nan 8.270 nan 0.000 0.451 230 A N 0.430 123.237 122.820 -0.021 0.000 2.169 230 A HA 0.012 4.332 4.320 -0.000 0.000 0.212 230 A C 1.699 179.335 177.584 0.087 0.000 1.153 230 A CA 0.626 52.632 52.037 -0.050 0.000 0.756 230 A CB 0.144 19.041 19.000 -0.172 0.000 0.813 230 A HN 0.072 nan 8.150 nan 0.000 0.471 231 R N -0.826 119.712 120.500 0.064 0.000 2.316 231 R HA 0.068 4.408 4.340 -0.000 0.000 0.201 231 R C 1.899 178.210 176.300 0.019 0.000 0.888 231 R CA 1.192 57.325 56.100 0.056 0.000 1.041 231 R CB -0.573 29.739 30.300 0.021 0.000 1.115 231 R HN 0.456 nan 8.270 nan 0.000 0.559 232 V N 0.283 120.206 119.914 0.015 0.000 2.250 232 V HA -0.246 3.874 4.120 -0.000 0.000 0.250 232 V C 2.491 178.554 176.094 -0.052 0.000 1.060 232 V CA 2.148 64.438 62.300 -0.018 0.000 1.030 232 V CB -1.480 30.334 31.823 -0.016 0.000 0.643 232 V HN 0.184 nan 8.190 nan 0.000 0.445 233 A N 0.727 123.518 122.820 -0.048 0.000 1.948 233 A HA -0.130 4.190 4.320 -0.000 0.000 0.220 233 A C 2.259 179.757 177.584 -0.143 0.000 1.177 233 A CA 2.373 54.340 52.037 -0.118 0.000 0.636 233 A CB -0.720 18.191 19.000 -0.147 0.000 0.815 233 A HN 0.618 nan 8.150 nan 0.000 0.449 234 L N -1.171 119.986 121.223 -0.110 0.000 2.217 234 L HA -0.090 4.250 4.340 -0.000 0.000 0.211 234 L C 2.568 179.363 176.870 -0.126 0.000 1.107 234 L CA 1.493 56.250 54.840 -0.139 0.000 0.783 234 L CB -0.983 40.979 42.059 -0.162 0.000 0.919 234 L HN 0.341 nan 8.230 nan 0.000 0.442 235 T N -0.053 114.441 114.554 -0.100 0.000 2.770 235 T HA -0.059 4.291 4.350 -0.000 0.000 0.263 235 T C 1.931 176.580 174.700 -0.085 0.000 1.039 235 T CA 1.279 63.328 62.100 -0.085 0.000 1.142 235 T CB -0.391 68.442 68.868 -0.059 0.000 0.868 235 T HN 0.500 nan 8.240 nan 0.000 0.435 236 G N 1.919 110.664 108.800 -0.091 0.000 2.446 236 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.217 236 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.217 236 G C 1.557 176.408 174.900 -0.082 0.000 1.168 236 G CA 1.047 46.095 45.100 -0.087 0.000 0.771 236 G HN 0.444 nan 8.290 nan 0.000 0.551 237 L N 0.942 122.100 121.223 -0.108 0.000 2.079 237 L HA -0.015 4.325 4.340 -0.000 0.000 0.210 237 L C 2.719 179.542 176.870 -0.078 0.000 1.081 237 L CA 2.720 57.498 54.840 -0.102 0.000 0.752 237 L CB -0.952 41.025 42.059 -0.136 0.000 0.896 237 L HN 0.174 nan 8.230 nan 0.000 0.433 238 T N -1.107 113.397 114.554 -0.085 0.000 2.821 238 T HA -0.115 4.235 4.350 -0.000 0.000 0.267 238 T C 1.983 176.631 174.700 -0.087 0.000 1.046 238 T CA 1.432 63.488 62.100 -0.073 0.000 1.139 238 T CB -0.342 68.480 68.868 -0.078 0.000 0.871 238 T HN 0.214 nan 8.240 nan 0.000 0.454 239 V N 1.865 121.708 119.914 -0.117 0.000 2.255 239 V HA -0.207 3.913 4.120 -0.000 0.000 0.247 239 V C 2.926 178.893 176.094 -0.210 0.000 1.051 239 V CA 1.872 64.048 62.300 -0.206 0.000 1.018 239 V CB -1.247 30.495 31.823 -0.134 0.000 0.641 239 V HN 0.532 nan 8.190 nan 0.000 0.445 240 A N -0.671 122.141 122.820 -0.013 0.000 1.908 240 A HA -0.283 4.037 4.320 -0.000 0.000 0.218 240 A C 2.156 179.791 177.584 0.085 0.000 1.181 240 A CA 2.087 54.204 52.037 0.134 0.000 0.627 240 A CB -0.557 18.491 19.000 0.079 0.000 0.818 240 A HN 0.646 nan 8.150 nan 0.000 0.445 241 E N -1.671 118.534 120.200 0.009 0.000 2.058 241 E HA -0.251 4.099 4.350 -0.000 0.000 0.194 241 E C 1.864 178.465 176.600 0.002 0.000 0.997 241 E CA 1.590 57.993 56.400 0.004 0.000 0.801 241 E CB -0.366 29.326 29.700 -0.013 0.000 0.746 241 E HN 0.767 nan 8.360 nan 0.000 0.450 242 Y N 0.679 120.892 120.300 -0.146 0.000 2.053 242 Y HA -0.320 4.230 4.550 -0.000 0.000 0.277 242 Y C 1.980 177.843 175.900 -0.063 0.000 1.159 242 Y CA 1.869 59.864 58.100 -0.176 0.000 1.125 242 Y CB -0.444 37.797 38.460 -0.366 0.000 0.969 242 Y HN -0.018 nan 8.280 nan 0.000 0.492 243 F N 0.210 120.261 119.950 0.170 0.000 2.154 243 F HA -0.219 4.308 4.527 -0.000 0.000 0.301 243 F C 2.742 178.543 175.800 0.003 0.000 1.087 243 F CA 1.913 60.000 58.000 0.145 0.000 1.274 243 F CB -1.009 38.149 39.000 0.264 0.000 1.009 243 F HN 0.057 nan 8.300 nan 0.000 0.485 244 R N 0.307 120.899 120.500 0.154 0.000 2.066 244 R HA -0.137 4.203 4.340 -0.000 0.000 0.232 244 R C 1.701 177.988 176.300 -0.022 0.000 1.131 244 R CA 1.963 58.097 56.100 0.057 0.000 0.955 244 R CB -0.289 30.033 30.300 0.037 0.000 0.851 244 R HN 0.142 nan 8.270 nan 0.000 0.432 245 D N 0.178 120.528 120.400 -0.083 0.000 2.162 245 D HA -0.072 4.568 4.640 -0.000 0.000 0.205 245 D C 1.339 177.541 176.300 -0.163 0.000 0.964 245 D CA 0.848 54.782 54.000 -0.110 0.000 0.847 245 D CB -0.030 40.704 40.800 -0.109 0.000 0.988 245 D HN 0.192 nan 8.370 nan 0.000 0.480 246 Q N 0.453 120.063 119.800 -0.316 0.000 2.282 246 Q HA 0.116 4.456 4.340 -0.000 0.000 0.205 246 Q C 0.457 176.359 176.000 -0.163 0.000 0.915 246 Q CA 0.385 55.980 55.803 -0.347 0.000 0.949 246 Q CB 0.622 28.849 28.738 -0.852 0.000 1.035 246 Q HN 0.508 nan 8.270 nan 0.000 0.484 247 E N -1.754 118.400 120.200 -0.076 0.000 2.521 247 E HA 0.126 4.476 4.350 -0.000 0.000 0.199 247 E C 0.768 177.355 176.600 -0.021 0.000 1.006 247 E CA 0.392 56.786 56.400 -0.011 0.000 1.630 247 E CB 0.645 30.384 29.700 0.064 0.000 2.725 247 E HN 0.268 nan 8.360 nan 0.000 1.103 248 G N 2.330 111.118 108.800 -0.019 0.000 2.245 248 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.264 248 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.264 248 G C 0.351 175.241 174.900 -0.016 0.000 0.985 248 G CA 0.844 45.932 45.100 -0.020 0.000 0.625 248 G HN 0.257 nan 8.290 nan 0.000 0.536 249 Q N 1.151 120.937 119.800 -0.023 0.000 2.333 249 Q HA 0.210 4.550 4.340 -0.000 0.000 0.299 249 Q C -0.529 175.464 176.000 -0.010 0.000 1.067 249 Q CA 0.370 56.139 55.803 -0.056 0.000 0.943 249 Q CB 0.109 28.763 28.738 -0.141 0.000 1.233 249 Q HN 0.434 nan 8.270 nan 0.000 0.401 250 D N 2.688 123.088 120.400 0.001 0.000 2.389 250 D HA 0.108 4.748 4.640 -0.000 0.000 0.263 250 D C -0.883 175.510 176.300 0.155 0.000 1.255 250 D CA 0.150 54.202 54.000 0.086 0.000 0.914 250 D CB 0.546 41.431 40.800 0.141 0.000 1.116 250 D HN 0.133 nan 8.370 nan 0.000 0.502 251 V N 3.740 123.701 119.914 0.079 0.000 2.439 251 V HA 0.264 4.384 4.120 -0.000 0.000 0.282 251 V C 0.440 176.478 176.094 -0.093 0.000 1.039 251 V CA -0.869 61.467 62.300 0.060 0.000 0.913 251 V CB 1.258 33.157 31.823 0.126 0.000 0.983 251 V HN 0.404 nan 8.190 nan 0.000 0.460 252 L N 5.242 126.333 121.223 -0.219 0.000 2.307 252 L HA 0.546 4.886 4.340 -0.000 0.000 0.282 252 L C -0.625 176.043 176.870 -0.336 0.000 1.051 252 L CA -0.502 54.105 54.840 -0.388 0.000 0.804 252 L CB 1.539 43.326 42.059 -0.452 0.000 1.197 252 L HN 0.467 nan 8.230 nan 0.000 0.431 253 L N 4.137 125.048 121.223 -0.520 0.000 2.376 253 L HA 0.573 4.913 4.340 -0.000 0.000 0.275 253 L C -1.371 175.106 176.870 -0.656 0.000 0.987 253 L CA 0.056 54.656 54.840 -0.400 0.000 0.828 253 L CB 1.254 43.172 42.059 -0.235 0.000 1.249 253 L HN 0.194 nan 8.230 nan 0.000 0.409 254 F N 6.008 125.857 119.950 -0.169 0.000 2.467 254 F HA 0.641 5.168 4.527 -0.000 0.000 0.336 254 F C -0.072 175.356 175.800 -0.620 0.000 1.123 254 F CA -0.571 57.259 58.000 -0.284 0.000 0.964 254 F CB 1.538 40.477 39.000 -0.100 0.000 1.136 254 F HN 0.206 nan 8.300 nan 0.000 0.447 255 I N 2.847 123.208 120.570 -0.349 0.000 2.468 255 I HA 0.284 4.454 4.170 -0.000 0.000 0.285 255 I C -1.417 174.520 176.117 -0.300 0.000 1.039 255 I CA -0.503 60.545 61.300 -0.419 0.000 1.074 255 I CB 1.966 39.792 38.000 -0.289 0.000 1.228 255 I HN 0.449 nan 8.210 nan 0.000 0.436 256 D N 6.456 126.664 120.400 -0.320 0.000 2.542 256 D HA 0.261 4.901 4.640 -0.000 0.000 0.252 256 D C -1.239 175.054 176.300 -0.012 0.000 1.222 256 D CA -0.263 53.698 54.000 -0.066 0.000 0.895 256 D CB 1.288 42.145 40.800 0.095 0.000 1.207 256 D HN 0.389 nan 8.370 nan 0.000 0.558 257 N N 4.707 123.418 118.700 0.018 0.000 2.448 257 N HA 0.134 4.874 4.740 -0.000 0.000 0.279 257 N C 0.628 176.167 175.510 0.048 0.000 1.025 257 N CA -0.505 52.571 53.050 0.044 0.000 0.898 257 N CB 1.394 39.956 38.487 0.125 0.000 1.303 257 N HN 0.343 nan 8.380 nan 0.000 0.495 258 I N 4.183 124.746 120.570 -0.012 0.000 2.657 258 I HA -0.137 4.033 4.170 -0.000 0.000 0.261 258 I C 1.536 177.711 176.117 0.096 0.000 1.212 258 I CA 0.692 61.977 61.300 -0.025 0.000 1.453 258 I CB -0.689 37.231 38.000 -0.133 0.000 1.092 258 I HN 0.581 nan 8.210 nan 0.000 0.452 259 F N 1.450 121.417 119.950 0.028 0.000 2.269 259 F HA -0.174 4.353 4.527 -0.000 0.000 0.301 259 F C 2.223 178.105 175.800 0.136 0.000 1.082 259 F CA 1.358 59.420 58.000 0.104 0.000 1.360 259 F CB -0.347 38.762 39.000 0.182 0.000 1.041 259 F HN 0.028 nan 8.300 nan 0.000 0.512 260 R N -0.418 120.057 120.500 -0.041 0.000 2.235 260 R HA -0.146 4.194 4.340 -0.000 0.000 0.213 260 R C 2.105 178.333 176.300 -0.120 0.000 1.059 260 R CA 0.948 56.949 56.100 -0.166 0.000 0.997 260 R CB -1.516 28.770 30.300 -0.022 0.000 0.884 260 R HN 0.461 nan 8.270 nan 0.000 0.462 261 F N 1.731 121.569 119.950 -0.187 0.000 2.146 261 F HA -0.128 4.399 4.527 -0.000 0.000 0.298 261 F C 1.870 177.570 175.800 -0.167 0.000 1.096 261 F CA 1.444 59.358 58.000 -0.144 0.000 1.275 261 F CB -0.142 38.789 39.000 -0.116 0.000 1.008 261 F HN -0.147 nan 8.300 nan 0.000 0.480 262 T N 0.096 114.573 114.554 -0.129 0.000 2.857 262 T HA -0.201 4.149 4.350 -0.000 0.000 0.266 262 T C 1.883 176.416 174.700 -0.279 0.000 1.048 262 T CA 1.418 63.391 62.100 -0.212 0.000 1.139 262 T CB -0.353 68.490 68.868 -0.042 0.000 0.874 262 T HN 0.458 nan 8.240 nan 0.000 0.455 263 Q N 0.813 120.283 119.800 -0.549 0.000 2.167 263 Q HA -0.042 4.298 4.340 -0.000 0.000 0.202 263 Q C 2.402 178.274 176.000 -0.214 0.000 0.970 263 Q CA 1.310 56.872 55.803 -0.402 0.000 0.855 263 Q CB -0.265 28.090 28.738 -0.638 0.000 0.911 263 Q HN 0.515 nan 8.270 nan 0.000 0.438 264 A N 0.690 123.371 122.820 -0.232 0.000 1.902 264 A HA -0.081 4.239 4.320 -0.000 0.000 0.217 264 A C 2.298 179.785 177.584 -0.162 0.000 1.181 264 A CA 1.530 53.466 52.037 -0.167 0.000 0.623 264 A CB -1.378 17.529 19.000 -0.156 0.000 0.818 264 A HN 0.599 nan 8.150 nan 0.000 0.443 265 G N 0.225 108.889 108.800 -0.227 0.000 2.446 265 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.217 265 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.217 265 G C 1.989 176.835 174.900 -0.090 0.000 1.168 265 G CA 2.033 47.020 45.100 -0.188 0.000 0.771 265 G HN 0.929 nan 8.290 nan 0.000 0.551 266 S N 0.368 116.039 115.700 -0.048 0.000 2.419 266 S HA -0.062 4.408 4.470 -0.000 0.000 0.233 266 S C 1.944 176.520 174.600 -0.040 0.000 1.016 266 S CA 1.638 59.832 58.200 -0.011 0.000 0.974 266 S CB -0.276 62.930 63.200 0.011 0.000 0.786 266 S HN 0.590 nan 8.310 nan 0.000 0.492 267 E N 0.747 120.914 120.200 -0.055 0.000 2.110 267 E HA -0.083 4.267 4.350 -0.000 0.000 0.193 267 E C 1.889 178.466 176.600 -0.038 0.000 0.988 267 E CA 1.555 57.927 56.400 -0.046 0.000 0.804 267 E CB -0.163 29.508 29.700 -0.049 0.000 0.745 267 E HN 0.697 nan 8.360 nan 0.000 0.458 268 V N -2.446 117.442 119.914 -0.043 0.000 3.542 268 V HA 0.180 4.300 4.120 -0.000 0.000 0.296 268 V C 1.794 177.872 176.094 -0.026 0.000 1.364 268 V CA 0.313 62.594 62.300 -0.032 0.000 1.118 268 V CB 0.783 32.586 31.823 -0.034 0.000 0.972 268 V HN 0.007 nan 8.190 nan 0.000 0.430 269 S N 1.627 117.312 115.700 -0.025 0.000 2.348 269 S HA -0.115 4.355 4.470 -0.000 0.000 0.221 269 S C 2.238 176.832 174.600 -0.009 0.000 1.033 269 S CA 2.093 60.284 58.200 -0.015 0.000 1.010 269 S CB -0.378 62.819 63.200 -0.006 0.000 0.891 269 S HN 0.949 nan 8.310 nan 0.000 0.442 270 A N 1.183 123.997 122.820 -0.009 0.000 1.940 270 A HA -0.010 4.310 4.320 -0.000 0.000 0.219 270 A C 2.038 179.620 177.584 -0.004 0.000 1.176 270 A CA 1.431 53.465 52.037 -0.005 0.000 0.631 270 A CB -0.755 18.241 19.000 -0.007 0.000 0.814 270 A HN 0.579 nan 8.150 nan 0.000 0.446 271 L N -0.765 120.454 121.223 -0.006 0.000 2.362 271 L HA -0.034 4.306 4.340 -0.000 0.000 0.219 271 L C 1.893 178.763 176.870 -0.001 0.000 1.134 271 L CA 0.383 55.221 54.840 -0.003 0.000 0.807 271 L CB -0.412 41.645 42.059 -0.004 0.000 0.927 271 L HN 0.310 nan 8.230 nan 0.000 0.447 272 L N -0.018 121.203 121.223 -0.003 0.000 2.599 272 L HA 0.126 4.466 4.340 -0.000 0.000 0.230 272 L C 1.426 178.298 176.870 0.003 0.000 1.141 272 L CA 0.635 55.475 54.840 0.000 0.000 0.877 272 L CB -0.364 41.691 42.059 -0.006 0.000 1.009 272 L HN 0.530 nan 8.230 nan 0.000 0.447 273 G N 0.619 109.420 108.800 0.003 0.000 2.141 273 G HA2 -0.248 3.711 3.960 -0.000 0.000 0.231 273 G HA3 -0.248 3.711 3.960 -0.000 0.000 0.231 273 G C 0.147 175.050 174.900 0.005 0.000 0.984 273 G CA -0.374 44.729 45.100 0.005 0.000 0.660 273 G HN 0.332 nan 8.290 nan 0.000 0.525 274 R N -0.287 120.216 120.500 0.005 0.000 2.404 274 R HA 0.666 5.006 4.340 -0.000 0.000 0.291 274 R C 0.860 177.166 176.300 0.010 0.000 1.025 274 R CA -0.750 55.355 56.100 0.008 0.000 0.991 274 R CB 1.168 31.473 30.300 0.009 0.000 1.053 274 R HN 0.283 nan 8.270 nan 0.000 0.479 275 I N 4.784 125.361 120.570 0.012 0.000 2.648 275 I HA 0.078 4.248 4.170 -0.000 0.000 0.284 275 I C -1.545 174.584 176.117 0.021 0.000 1.153 275 I CA -1.595 59.714 61.300 0.014 0.000 1.426 275 I CB 0.515 38.524 38.000 0.015 0.000 1.381 275 I HN 0.348 nan 8.210 nan 0.000 0.571 276 P HA 0.065 nan 4.420 nan 0.000 0.272 276 P C -0.471 176.855 177.300 0.042 0.000 1.230 276 P CA -0.240 62.877 63.100 0.029 0.000 0.788 276 P CB 1.061 32.771 31.700 0.017 0.000 0.949 277 S N 0.436 116.176 115.700 0.066 0.000 2.713 277 S HA 0.682 5.152 4.470 -0.000 0.000 0.296 277 S C -0.203 174.454 174.600 0.094 0.000 1.114 277 S CA -0.447 57.801 58.200 0.079 0.000 0.997 277 S CB 0.377 63.635 63.200 0.097 0.000 1.249 277 S HN 0.586 nan 8.310 nan 0.000 0.534 278 A N 0.383 123.268 122.820 0.109 0.000 2.483 278 A HA 0.437 4.757 4.320 -0.000 0.000 0.238 278 A C 1.032 178.712 177.584 0.160 0.000 1.070 278 A CA 0.365 52.469 52.037 0.113 0.000 0.770 278 A CB -0.801 18.263 19.000 0.107 0.000 1.008 278 A HN 1.701 nan 8.150 nan 0.000 0.497 279 V N 0.892 120.868 119.914 0.102 0.000 3.292 279 V HA -0.315 3.805 4.120 -0.000 0.000 0.184 279 V C 1.762 177.814 176.094 -0.069 0.000 0.459 279 V CA 1.769 64.106 62.300 0.061 0.000 1.088 279 V CB -2.499 29.424 31.823 0.167 0.000 1.239 279 V HN 2.913 nan 8.190 nan 0.000 1.148 280 G N -2.975 105.800 108.800 -0.042 0.000 2.175 280 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.244 280 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.244 280 G C -0.130 174.698 174.900 -0.120 0.000 0.982 280 G CA 0.263 45.297 45.100 -0.111 0.000 0.641 280 G HN 0.810 nan 8.290 nan 0.000 0.527 281 Y N 2.063 122.390 120.300 0.046 0.000 2.299 281 Y HA 0.462 5.012 4.550 -0.000 0.000 0.335 281 Y C 1.382 177.294 175.900 0.020 0.000 1.287 281 Y CA -0.107 58.017 58.100 0.040 0.000 1.424 281 Y CB 0.435 38.931 38.460 0.060 0.000 1.326 281 Y HN 0.397 nan 8.280 nan 0.000 0.567 282 Q N 2.188 122.111 119.800 0.206 0.000 2.454 282 Q HA 0.098 4.438 4.340 -0.000 0.000 0.247 282 Q C -2.354 173.704 176.000 0.096 0.000 1.028 282 Q CA -1.616 54.248 55.803 0.100 0.000 0.910 282 Q CB 0.514 29.284 28.738 0.054 0.000 1.276 282 Q HN 0.363 nan 8.270 nan 0.000 0.489 283 P HA -0.041 nan 4.420 nan 0.000 0.225 283 P C 0.810 178.134 177.300 0.039 0.000 1.156 283 P CA 1.279 64.409 63.100 0.050 0.000 0.787 283 P CB -0.031 31.690 31.700 0.036 0.000 0.802 284 T N -3.539 111.033 114.554 0.031 0.000 3.235 284 T HA 0.156 4.506 4.350 -0.000 0.000 0.251 284 T C 1.474 176.192 174.700 0.029 0.000 1.060 284 T CA -0.281 61.834 62.100 0.025 0.000 0.949 284 T CB -1.019 67.856 68.868 0.011 0.000 1.020 284 T HN -0.042 nan 8.240 nan 0.000 0.564 285 L N 1.257 122.498 121.223 0.029 0.000 1.963 285 L HA -0.175 4.165 4.340 -0.000 0.000 0.220 285 L C 2.874 179.771 176.870 0.045 0.000 1.076 285 L CA 2.198 57.047 54.840 0.016 0.000 0.772 285 L CB -0.798 41.240 42.059 -0.035 0.000 0.892 285 L HN 0.399 nan 8.230 nan 0.000 0.435 286 A N -1.065 121.785 122.820 0.049 0.000 1.972 286 A HA -0.215 4.105 4.320 -0.000 0.000 0.219 286 A C 2.273 179.914 177.584 0.094 0.000 1.169 286 A CA 2.226 54.312 52.037 0.082 0.000 0.635 286 A CB -1.103 17.940 19.000 0.072 0.000 0.810 286 A HN 0.694 nan 8.150 nan 0.000 0.446 287 T N -2.491 112.106 114.554 0.072 0.000 2.851 287 T HA -0.099 4.251 4.350 -0.000 0.000 0.262 287 T C 1.407 176.161 174.700 0.089 0.000 1.043 287 T CA 1.315 63.457 62.100 0.071 0.000 1.140 287 T CB -0.431 68.466 68.868 0.048 0.000 0.872 287 T HN 0.295 nan 8.240 nan 0.000 0.446 288 D N 1.015 121.474 120.400 0.098 0.000 2.104 288 D HA -0.052 4.588 4.640 -0.000 0.000 0.194 288 D C 1.979 178.444 176.300 0.275 0.000 0.994 288 D CA 1.113 55.210 54.000 0.162 0.000 0.830 288 D CB -0.402 40.452 40.800 0.089 0.000 0.959 288 D HN 0.397 nan 8.370 nan 0.000 0.452 289 M N 0.037 119.766 119.600 0.215 0.000 2.175 289 M HA -0.055 4.425 4.480 -0.000 0.000 0.264 289 M C 2.001 178.235 176.300 -0.110 0.000 1.063 289 M CA 1.891 57.242 55.300 0.086 0.000 1.119 289 M CB -0.140 32.494 32.600 0.057 0.000 1.377 289 M HN 0.023 nan 8.290 nan 0.000 0.415 290 G N -0.451 108.359 108.800 0.017 0.000 2.418 290 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.217 290 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.217 290 G C 1.454 176.369 174.900 0.025 0.000 1.158 290 G CA 1.497 46.642 45.100 0.076 0.000 0.771 290 G HN 0.598 nan 8.290 nan 0.000 0.545 291 T N -1.896 112.680 114.554 0.037 0.000 2.962 291 T HA 0.031 4.381 4.350 -0.000 0.000 0.270 291 T C 2.195 176.883 174.700 -0.019 0.000 1.088 291 T CA 1.419 63.538 62.100 0.032 0.000 1.127 291 T CB -0.093 68.814 68.868 0.065 0.000 0.883 291 T HN 0.209 nan 8.240 nan 0.000 0.493 292 M N 0.116 119.657 119.600 -0.098 0.000 2.155 292 M HA 0.004 4.484 4.480 -0.000 0.000 0.258 292 M C 2.514 178.666 176.300 -0.247 0.000 1.092 292 M CA 1.225 56.380 55.300 -0.241 0.000 1.153 292 M CB -0.241 32.012 32.600 -0.579 0.000 1.316 292 M HN 0.158 nan 8.290 nan 0.000 0.431 293 Q N 0.581 120.193 119.800 -0.314 0.000 2.197 293 Q HA -0.191 4.149 4.340 -0.000 0.000 0.207 293 Q C 1.566 177.497 176.000 -0.116 0.000 0.984 293 Q CA 1.320 56.948 55.803 -0.291 0.000 0.869 293 Q CB -0.498 27.889 28.738 -0.585 0.000 0.906 293 Q HN 0.584 nan 8.270 nan 0.000 0.426 294 E N 0.202 120.373 120.200 -0.049 0.000 2.478 294 E HA -0.077 4.273 4.350 -0.000 0.000 0.198 294 E C 1.688 178.280 176.600 -0.014 0.000 1.046 294 E CA 0.286 56.695 56.400 0.015 0.000 0.870 294 E CB 0.058 29.790 29.700 0.053 0.000 0.818 294 E HN 0.333 nan 8.360 nan 0.000 0.527 295 R N 0.090 120.559 120.500 -0.051 0.000 2.140 295 R HA 0.182 4.522 4.340 -0.000 0.000 0.213 295 R C 1.112 177.374 176.300 -0.063 0.000 1.059 295 R CA 0.188 56.257 56.100 -0.050 0.000 1.000 295 R CB 0.221 30.484 30.300 -0.061 0.000 0.910 295 R HN 0.051 nan 8.270 nan 0.000 0.455 296 I N 2.026 122.542 120.570 -0.090 0.000 2.352 296 I HA 0.011 4.181 4.170 -0.000 0.000 0.303 296 I C -0.035 176.040 176.117 -0.070 0.000 1.194 296 I CA 0.433 61.674 61.300 -0.099 0.000 1.518 296 I CB -0.027 37.887 38.000 -0.143 0.000 1.489 296 I HN -0.021 nan 8.210 nan 0.000 0.702 297 T N 2.653 117.175 114.554 -0.053 0.000 2.942 297 T HA 0.242 4.592 4.350 -0.000 0.000 0.327 297 T C -0.207 174.472 174.700 -0.035 0.000 1.360 297 T CA -0.356 61.722 62.100 -0.037 0.000 1.055 297 T CB 1.592 70.450 68.868 -0.016 0.000 1.261 297 T HN 0.281 nan 8.240 nan 0.000 0.485 298 T N 3.246 117.780 114.554 -0.034 0.000 2.860 298 T HA 0.584 4.934 4.350 -0.000 0.000 0.299 298 T C 0.567 175.249 174.700 -0.030 0.000 1.045 298 T CA -0.001 62.081 62.100 -0.030 0.000 1.071 298 T CB 0.745 69.596 68.868 -0.029 0.000 0.985 298 T HN 0.921 nan 8.240 nan 0.000 0.537 299 T N -0.826 113.709 114.554 -0.031 0.000 2.669 299 T HA 0.471 4.821 4.350 -0.000 0.000 0.283 299 T C 0.823 175.499 174.700 -0.039 0.000 1.019 299 T CA -0.987 61.091 62.100 -0.037 0.000 1.039 299 T CB 1.296 70.145 68.868 -0.032 0.000 1.374 299 T HN 0.366 nan 8.240 nan 0.000 0.523 300 K N 0.075 120.447 120.400 -0.045 0.000 2.288 300 K HA 0.110 4.430 4.320 -0.000 0.000 0.201 300 K C 2.087 178.666 176.600 -0.035 0.000 1.048 300 K CA 0.698 56.959 56.287 -0.043 0.000 0.956 300 K CB -0.001 32.469 32.500 -0.049 0.000 0.746 300 K HN 0.440 nan 8.250 nan 0.000 0.461 301 K N -0.090 120.290 120.400 -0.033 0.000 2.137 301 K HA 0.031 4.351 4.320 -0.000 0.000 0.202 301 K C 1.024 177.608 176.600 -0.027 0.000 1.052 301 K CA 0.813 57.081 56.287 -0.031 0.000 0.961 301 K CB 0.416 32.895 32.500 -0.034 0.000 0.741 301 K HN 0.139 nan 8.250 nan 0.000 0.452 302 G N 0.217 109.004 108.800 -0.023 0.000 2.649 302 G HA2 0.326 4.286 3.960 -0.000 0.000 0.290 302 G HA3 0.326 4.286 3.960 -0.000 0.000 0.290 302 G C -1.610 173.283 174.900 -0.011 0.000 1.426 302 G CA -0.581 44.511 45.100 -0.014 0.000 0.794 302 G HN 0.029 nan 8.290 nan 0.000 0.483 303 S N -0.688 115.009 115.700 -0.004 0.000 2.500 303 S HA 0.777 5.247 4.470 -0.000 0.000 0.301 303 S C -0.699 173.895 174.600 -0.010 0.000 1.092 303 S CA -0.723 57.471 58.200 -0.009 0.000 1.030 303 S CB 1.369 64.564 63.200 -0.007 0.000 1.031 303 S HN 0.597 nan 8.310 nan 0.000 0.483 304 I N 2.875 123.426 120.570 -0.032 0.000 2.378 304 I HA 0.305 4.475 4.170 -0.000 0.000 0.291 304 I C -0.289 175.769 176.117 -0.098 0.000 0.992 304 I CA -0.540 60.724 61.300 -0.059 0.000 1.154 304 I CB 2.233 40.197 38.000 -0.061 0.000 1.315 304 I HN 0.629 nan 8.210 nan 0.000 0.448 305 T N 4.598 119.064 114.554 -0.148 0.000 2.853 305 T HA 0.250 4.600 4.350 -0.000 0.000 0.317 305 T C 0.092 174.621 174.700 -0.286 0.000 1.059 305 T CA -0.545 61.450 62.100 -0.175 0.000 0.954 305 T CB 0.437 69.213 68.868 -0.153 0.000 0.994 305 T HN 0.676 nan 8.240 nan 0.000 0.479 306 S N 2.352 117.900 115.700 -0.253 0.000 2.508 306 S HA 0.698 5.168 4.470 -0.000 0.000 0.284 306 S C -0.254 174.160 174.600 -0.310 0.000 1.192 306 S CA -0.794 57.223 58.200 -0.306 0.000 1.070 306 S CB 1.411 64.475 63.200 -0.226 0.000 1.004 306 S HN 0.343 nan 8.310 nan 0.000 0.493 307 V N 3.493 123.198 119.914 -0.348 0.000 2.376 307 V HA 0.380 4.500 4.120 -0.000 0.000 0.287 307 V C -0.611 175.382 176.094 -0.168 0.000 1.015 307 V CA -0.500 61.664 62.300 -0.226 0.000 0.834 307 V CB 1.262 33.044 31.823 -0.069 0.000 1.001 307 V HN 0.953 nan 8.190 nan 0.000 0.428 308 Q N 3.613 123.304 119.800 -0.181 0.000 2.348 308 Q HA 0.684 5.024 4.340 -0.000 0.000 0.265 308 Q C -0.087 175.809 176.000 -0.173 0.000 0.998 308 Q CA -0.524 55.167 55.803 -0.186 0.000 0.831 308 Q CB 2.446 31.048 28.738 -0.228 0.000 1.251 308 Q HN 0.827 nan 8.270 nan 0.000 0.456 309 A N 3.959 126.717 122.820 -0.103 0.000 2.450 309 A HA 0.433 4.753 4.320 -0.000 0.000 0.255 309 A C -0.256 177.260 177.584 -0.114 0.000 1.096 309 A CA -0.037 51.958 52.037 -0.069 0.000 0.778 309 A CB -0.005 19.010 19.000 0.025 0.000 1.031 309 A HN 0.758 nan 8.150 nan 0.000 0.494 310 I N 2.932 123.384 120.570 -0.196 0.000 2.439 310 I HA 0.175 4.345 4.170 -0.000 0.000 0.283 310 I C -0.669 175.394 176.117 -0.091 0.000 1.023 310 I CA -0.479 60.680 61.300 -0.234 0.000 1.100 310 I CB 1.262 38.818 38.000 -0.740 0.000 1.238 310 I HN 0.738 nan 8.210 nan 0.000 0.445 311 Y N 7.196 127.443 120.300 -0.088 0.000 2.411 311 Y HA 0.422 4.972 4.550 -0.000 0.000 0.333 311 Y C -0.375 175.325 175.900 -0.334 0.000 1.186 311 Y CA -0.201 57.791 58.100 -0.180 0.000 1.381 311 Y CB 0.996 39.347 38.460 -0.182 0.000 1.273 311 Y HN 0.264 nan 8.280 nan 0.000 0.546 312 V N 8.662 127.949 119.914 -1.045 0.000 2.305 312 V HA 0.286 4.406 4.120 -0.000 0.000 0.275 312 V C -2.310 173.121 176.094 -1.105 0.000 1.020 312 V CA -2.149 59.683 62.300 -0.779 0.000 0.811 312 V CB 0.830 32.470 31.823 -0.305 0.000 1.031 312 V HN 0.732 nan 8.190 nan 0.000 0.439 313 P HA 0.029 nan 4.420 nan 0.000 0.261 313 P C 0.767 177.945 177.300 -0.203 0.000 1.173 313 P CA 0.791 63.634 63.100 -0.428 0.000 0.760 313 P CB 0.531 32.170 31.700 -0.102 0.000 0.783 314 A N 3.595 126.372 122.820 -0.071 0.000 2.714 314 A HA -0.286 4.034 4.320 -0.000 0.000 0.305 314 A C 1.040 178.590 177.584 -0.058 0.000 1.520 314 A CA 1.529 53.552 52.037 -0.024 0.000 0.879 314 A CB -2.459 16.545 19.000 0.006 0.000 0.976 314 A HN 0.649 nan 8.150 nan 0.000 0.487 315 D N -2.432 117.894 120.400 -0.122 0.000 2.978 315 D HA -0.174 4.466 4.640 -0.000 0.000 0.205 315 D C -0.176 176.089 176.300 -0.059 0.000 1.093 315 D CA 2.146 56.096 54.000 -0.084 0.000 1.006 315 D CB -1.109 39.672 40.800 -0.031 0.000 1.116 315 D HN 0.933 nan 8.370 nan 0.000 0.419 316 D N 0.106 120.469 120.400 -0.060 0.000 2.365 316 D HA 0.221 4.861 4.640 -0.000 0.000 0.237 316 D C 1.420 177.712 176.300 -0.014 0.000 1.190 316 D CA -0.191 53.794 54.000 -0.026 0.000 0.867 316 D CB 0.339 41.134 40.800 -0.008 0.000 1.050 316 D HN 0.143 nan 8.370 nan 0.000 0.491 317 L N 2.627 123.857 121.223 0.012 0.000 2.362 317 L HA -0.087 4.253 4.340 -0.000 0.000 0.219 317 L C 2.226 179.154 176.870 0.098 0.000 1.134 317 L CA 1.235 56.118 54.840 0.072 0.000 0.807 317 L CB -0.378 41.722 42.059 0.068 0.000 0.927 317 L HN 0.516 nan 8.230 nan 0.000 0.447 318 T N -4.823 109.760 114.554 0.049 0.000 3.100 318 T HA -0.063 4.287 4.350 -0.000 0.000 0.253 318 T C 0.818 175.562 174.700 0.074 0.000 1.118 318 T CA -0.399 61.734 62.100 0.054 0.000 1.058 318 T CB -0.283 68.600 68.868 0.025 0.000 0.953 318 T HN 0.205 nan 8.240 nan 0.000 0.515 319 D N 2.837 123.283 120.400 0.075 0.000 2.571 319 D HA -0.010 4.630 4.640 -0.000 0.000 0.231 319 D C -1.347 175.013 176.300 0.100 0.000 1.133 319 D CA -1.163 52.904 54.000 0.113 0.000 0.862 319 D CB 1.322 42.186 40.800 0.105 0.000 1.179 319 D HN 0.019 nan 8.370 nan 0.000 0.474 320 P HA -0.236 nan 4.420 nan 0.000 0.217 320 P C 0.875 178.102 177.300 -0.122 0.000 1.158 320 P CA 2.290 65.366 63.100 -0.040 0.000 0.887 320 P CB 0.041 31.682 31.700 -0.099 0.000 0.792 321 A N -0.123 122.577 122.820 -0.200 0.000 1.828 321 A HA -0.123 4.197 4.320 -0.000 0.000 0.215 321 A C -0.023 177.607 177.584 0.075 0.000 1.203 321 A CA 2.460 54.463 52.037 -0.055 0.000 0.614 321 A CB -2.249 16.870 19.000 0.197 0.000 0.844 321 A HN 0.206 nan 8.150 nan 0.000 0.445 322 P HA -0.144 nan 4.420 nan 0.000 0.215 322 P C 1.618 179.037 177.300 0.198 0.000 1.157 322 P CA 2.167 65.353 63.100 0.144 0.000 0.868 322 P CB -0.290 31.501 31.700 0.151 0.000 0.788 323 A N -0.431 122.529 122.820 0.233 0.000 1.978 323 A HA -0.146 4.174 4.320 -0.000 0.000 0.220 323 A C 2.173 179.926 177.584 0.282 0.000 1.170 323 A CA 2.304 54.539 52.037 0.331 0.000 0.636 323 A CB -1.875 17.232 19.000 0.178 0.000 0.810 323 A HN 0.235 nan 8.150 nan 0.000 0.448 324 T N -0.466 114.195 114.554 0.177 0.000 3.055 324 T HA -0.022 4.328 4.350 -0.000 0.000 0.265 324 T C 1.702 176.551 174.700 0.248 0.000 1.111 324 T CA 1.506 63.708 62.100 0.170 0.000 1.118 324 T CB -0.192 68.742 68.868 0.109 0.000 0.909 324 T HN 0.593 nan 8.240 nan 0.000 0.501 325 T N 1.436 116.123 114.554 0.221 0.000 3.014 325 T HA 0.117 4.467 4.350 -0.000 0.000 0.263 325 T C 1.478 176.344 174.700 0.277 0.000 1.078 325 T CA 0.265 62.496 62.100 0.218 0.000 1.135 325 T CB -0.420 68.464 68.868 0.026 0.000 0.895 325 T HN 0.248 nan 8.240 nan 0.000 0.480 326 F N 2.515 122.655 119.950 0.316 0.000 2.085 326 F HA -0.184 4.343 4.527 -0.000 0.000 0.299 326 F C 2.681 178.554 175.800 0.121 0.000 1.096 326 F CA 1.294 59.425 58.000 0.219 0.000 1.227 326 F CB -0.814 38.198 39.000 0.020 0.000 0.983 326 F HN 0.185 nan 8.300 nan 0.000 0.482 327 A N -1.752 121.188 122.820 0.200 0.000 2.209 327 A HA -0.126 4.194 4.320 -0.000 0.000 0.212 327 A C 1.677 179.204 177.584 -0.094 0.000 1.158 327 A CA 0.942 52.986 52.037 0.013 0.000 0.742 327 A CB -0.961 17.978 19.000 -0.101 0.000 0.790 327 A HN 0.491 nan 8.150 nan 0.000 0.472 328 H N -0.794 118.326 119.070 0.084 0.000 2.551 328 H HA 0.240 4.796 4.556 -0.000 0.000 0.266 328 H C 0.271 175.614 175.328 0.024 0.000 0.977 328 H CA 0.410 56.479 56.048 0.035 0.000 1.163 328 H CB 0.067 29.828 29.762 -0.001 0.000 1.381 328 H HN 0.377 nan 8.280 nan 0.000 0.581 329 L N -0.026 121.283 121.223 0.144 0.000 2.376 329 L HA 0.205 4.545 4.340 -0.000 0.000 0.267 329 L C 0.904 177.819 176.870 0.076 0.000 1.035 329 L CA -0.518 54.380 54.840 0.096 0.000 0.800 329 L CB 1.177 43.316 42.059 0.135 0.000 1.290 329 L HN -0.089 nan 8.230 nan 0.000 0.462 330 D N -0.208 120.220 120.400 0.046 0.000 2.479 330 D HA 0.289 4.929 4.640 -0.000 0.000 0.221 330 D C -0.094 176.245 176.300 0.066 0.000 1.104 330 D CA 0.387 54.415 54.000 0.046 0.000 0.849 330 D CB 1.589 42.404 40.800 0.025 0.000 1.072 330 D HN 0.465 nan 8.370 nan 0.000 0.502 331 A N 0.968 123.825 122.820 0.062 0.000 2.488 331 A HA 0.563 4.883 4.320 -0.000 0.000 0.295 331 A C -0.588 177.072 177.584 0.127 0.000 1.045 331 A CA -0.599 51.503 52.037 0.108 0.000 0.703 331 A CB 1.453 20.532 19.000 0.132 0.000 1.271 331 A HN -0.048 nan 8.150 nan 0.000 0.400 332 T N -0.622 114.062 114.554 0.216 0.000 2.824 332 T HA 0.725 5.075 4.350 -0.000 0.000 0.282 332 T C -0.483 174.404 174.700 0.312 0.000 0.993 332 T CA -0.549 61.743 62.100 0.320 0.000 0.967 332 T CB 1.505 70.612 68.868 0.398 0.000 0.960 332 T HN 0.491 nan 8.240 nan 0.000 0.441 333 T N 3.046 117.808 114.554 0.347 0.000 2.842 333 T HA 0.483 4.832 4.350 -0.000 0.000 0.308 333 T C -0.060 174.831 174.700 0.318 0.000 1.041 333 T CA -0.526 61.763 62.100 0.314 0.000 0.964 333 T CB 0.766 69.843 68.868 0.350 0.000 0.972 333 T HN 0.636 nan 8.240 nan 0.000 0.460 334 V N 5.228 125.287 119.914 0.242 0.000 2.432 334 V HA 0.414 4.534 4.120 -0.000 0.000 0.275 334 V C -0.327 175.866 176.094 0.165 0.000 1.043 334 V CA -0.827 61.599 62.300 0.210 0.000 0.925 334 V CB 1.103 32.996 31.823 0.116 0.000 0.985 334 V HN 0.575 nan 8.190 nan 0.000 0.466 335 L N 3.980 125.303 121.223 0.167 0.000 2.325 335 L HA 0.618 4.958 4.340 -0.000 0.000 0.278 335 L C 0.170 177.093 176.870 0.088 0.000 1.023 335 L CA 0.337 55.254 54.840 0.129 0.000 0.811 335 L CB 1.808 43.958 42.059 0.151 0.000 1.249 335 L HN 0.699 nan 8.230 nan 0.000 0.431 336 S N 1.988 117.721 115.700 0.056 0.000 2.502 336 S HA 0.433 4.903 4.470 -0.000 0.000 0.304 336 S C 0.950 175.558 174.600 0.013 0.000 1.097 336 S CA -0.637 57.581 58.200 0.029 0.000 1.045 336 S CB 1.126 64.332 63.200 0.010 0.000 1.019 336 S HN 0.709 nan 8.310 nan 0.000 0.481 337 R N 3.499 124.008 120.500 0.015 0.000 2.115 337 R HA -0.008 4.332 4.340 -0.000 0.000 0.230 337 R C 2.002 178.291 176.300 -0.017 0.000 1.111 337 R CA 1.713 57.819 56.100 0.010 0.000 0.976 337 R CB -0.588 29.723 30.300 0.020 0.000 0.870 337 R HN 0.734 nan 8.270 nan 0.000 0.445 338 A N 1.096 123.906 122.820 -0.017 0.000 1.933 338 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 338 A C 2.082 179.639 177.584 -0.045 0.000 1.175 338 A CA 1.400 53.421 52.037 -0.026 0.000 0.628 338 A CB -0.411 18.576 19.000 -0.021 0.000 0.814 338 A HN 0.364 nan 8.150 nan 0.000 0.444 339 I N -0.577 119.963 120.570 -0.050 0.000 2.162 339 I HA -0.187 3.983 4.170 -0.000 0.000 0.238 339 I C 2.959 178.978 176.117 -0.163 0.000 1.076 339 I CA 0.927 62.181 61.300 -0.078 0.000 1.353 339 I CB -0.587 37.380 38.000 -0.054 0.000 1.063 339 I HN 0.324 nan 8.210 nan 0.000 0.408 340 A N 0.349 123.043 122.820 -0.209 0.000 2.042 340 A HA -0.300 4.020 4.320 -0.000 0.000 0.222 340 A C 2.235 179.641 177.584 -0.296 0.000 1.167 340 A CA 2.127 53.907 52.037 -0.429 0.000 0.649 340 A CB -0.798 18.082 19.000 -0.201 0.000 0.809 340 A HN 0.580 nan 8.150 nan 0.000 0.457 341 E N -0.520 119.599 120.200 -0.135 0.000 2.427 341 E HA -0.002 4.348 4.350 -0.000 0.000 0.196 341 E C 1.468 178.025 176.600 -0.071 0.000 1.028 341 E CA 0.314 56.673 56.400 -0.067 0.000 0.864 341 E CB -0.096 29.584 29.700 -0.034 0.000 0.813 341 E HN 0.694 nan 8.360 nan 0.000 0.514 342 L N -1.139 120.020 121.223 -0.108 0.000 2.477 342 L HA 0.235 4.575 4.340 -0.000 0.000 0.220 342 L C 1.512 178.312 176.870 -0.116 0.000 1.106 342 L CA 0.610 55.391 54.840 -0.098 0.000 0.851 342 L CB 0.402 42.409 42.059 -0.087 0.000 0.994 342 L HN 0.377 nan 8.230 nan 0.000 0.462 343 G N 0.217 108.931 108.800 -0.144 0.000 2.179 343 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.220 343 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.220 343 G C 0.173 175.089 174.900 0.026 0.000 0.990 343 G CA -0.617 44.465 45.100 -0.030 0.000 0.646 343 G HN 0.072 nan 8.290 nan 0.000 0.517 344 I N 1.332 121.822 120.570 -0.133 0.000 2.452 344 I HA 0.477 4.647 4.170 -0.000 0.000 0.287 344 I C -0.013 175.937 176.117 -0.278 0.000 1.079 344 I CA -0.507 60.771 61.300 -0.037 0.000 1.387 344 I CB -0.313 37.668 38.000 -0.033 0.000 1.404 344 I HN 0.076 nan 8.210 nan 0.000 0.522 345 Y N 6.813 127.109 120.300 -0.007 0.000 2.524 345 Y HA 0.426 4.976 4.550 -0.000 0.000 0.347 345 Y C -2.139 173.591 175.900 -0.283 0.000 1.005 345 Y CA -2.638 55.385 58.100 -0.129 0.000 1.025 345 Y CB 1.917 40.286 38.460 -0.150 0.000 1.275 345 Y HN 0.407 nan 8.280 nan 0.000 0.460 346 P HA 0.061 nan 4.420 nan 0.000 0.268 346 P C -0.248 177.100 177.300 0.080 0.000 1.205 346 P CA -0.023 63.092 63.100 0.026 0.000 0.771 346 P CB 0.757 32.523 31.700 0.110 0.000 0.858 347 A N 3.421 126.314 122.820 0.121 0.000 2.190 347 A HA 0.122 4.442 4.320 -0.000 0.000 0.226 347 A C 0.595 178.213 177.584 0.057 0.000 1.402 347 A CA -0.112 51.932 52.037 0.012 0.000 1.288 347 A CB -1.349 17.646 19.000 -0.008 0.000 0.833 347 A HN 0.389 nan 8.150 nan 0.000 0.564 348 V N 0.885 120.845 119.914 0.077 0.000 2.655 348 V HA 0.027 4.147 4.120 -0.000 0.000 0.300 348 V C 0.412 176.538 176.094 0.054 0.000 1.044 348 V CA -0.207 62.145 62.300 0.086 0.000 1.095 348 V CB 1.068 32.952 31.823 0.102 0.000 0.952 348 V HN 0.544 nan 8.190 nan 0.000 0.485 349 D N 6.809 127.242 120.400 0.056 0.000 2.411 349 D HA 0.279 4.919 4.640 -0.000 0.000 0.225 349 D C -1.547 174.769 176.300 0.027 0.000 1.156 349 D CA -2.167 51.853 54.000 0.033 0.000 0.874 349 D CB 1.896 42.713 40.800 0.028 0.000 1.034 349 D HN 0.234 nan 8.370 nan 0.000 0.502 350 P HA -0.035 nan 4.420 nan 0.000 0.223 350 P C 1.066 178.359 177.300 -0.012 0.000 1.151 350 P CA 0.661 63.758 63.100 -0.006 0.000 0.787 350 P CB 0.306 31.992 31.700 -0.024 0.000 0.788 351 L N -1.032 120.186 121.223 -0.009 0.000 2.685 351 L HA 0.243 4.583 4.340 -0.000 0.000 0.233 351 L C 0.900 177.753 176.870 -0.027 0.000 1.173 351 L CA 0.425 55.253 54.840 -0.020 0.000 0.961 351 L CB -0.193 41.854 42.059 -0.020 0.000 1.217 351 L HN -0.130 nan 8.230 nan 0.000 0.478 352 D N -1.329 119.062 120.400 -0.016 0.000 2.523 352 D HA 0.082 4.722 4.640 -0.000 0.000 0.269 352 D C -0.090 176.212 176.300 0.003 0.000 1.374 352 D CA 0.177 54.159 54.000 -0.030 0.000 0.820 352 D CB 0.832 41.611 40.800 -0.036 0.000 1.211 352 D HN -0.080 nan 8.370 nan 0.000 0.502 353 S N -0.135 115.586 115.700 0.034 0.000 2.475 353 S HA 0.759 5.229 4.470 -0.000 0.000 0.298 353 S C -0.003 174.642 174.600 0.075 0.000 1.119 353 S CA -0.546 57.706 58.200 0.087 0.000 1.085 353 S CB 1.890 65.157 63.200 0.111 0.000 1.028 353 S HN 0.266 nan 8.310 nan 0.000 0.489 354 T N -1.270 113.345 114.554 0.101 0.000 2.812 354 T HA 0.833 5.183 4.350 -0.000 0.000 0.294 354 T C -0.767 174.002 174.700 0.116 0.000 1.159 354 T CA -0.916 61.232 62.100 0.080 0.000 1.008 354 T CB 1.778 70.676 68.868 0.049 0.000 1.289 354 T HN 0.530 nan 8.240 nan 0.000 0.514 355 S N -1.064 114.693 115.700 0.095 0.000 2.562 355 S HA 0.386 4.856 4.470 -0.000 0.000 0.274 355 S C 0.602 175.244 174.600 0.071 0.000 1.160 355 S CA -0.738 57.524 58.200 0.105 0.000 0.933 355 S CB 1.936 65.215 63.200 0.132 0.000 1.100 355 S HN 0.956 nan 8.310 nan 0.000 0.468 356 R N 2.619 123.157 120.500 0.063 0.000 2.159 356 R HA -0.029 4.311 4.340 -0.000 0.000 0.237 356 R C 1.632 177.948 176.300 0.026 0.000 1.131 356 R CA 2.278 58.402 56.100 0.039 0.000 0.982 356 R CB -0.501 29.822 30.300 0.037 0.000 0.868 356 R HN 0.836 nan 8.270 nan 0.000 0.453 357 I N -2.332 118.258 120.570 0.033 0.000 3.684 357 I HA 0.150 4.320 4.170 -0.000 0.000 0.304 357 I C 0.439 176.551 176.117 -0.008 0.000 1.278 357 I CA -0.108 61.201 61.300 0.014 0.000 1.272 357 I CB 0.270 38.288 38.000 0.030 0.000 1.029 357 I HN -0.030 nan 8.210 nan 0.000 0.458 358 M N 3.170 122.774 119.600 0.007 0.000 3.237 358 M HA 0.264 4.744 4.480 -0.000 0.000 0.266 358 M C -1.025 175.288 176.300 0.021 0.000 1.456 358 M CA 0.505 55.811 55.300 0.011 0.000 1.593 358 M CB -1.267 31.365 32.600 0.053 0.000 1.129 358 M HN 0.343 nan 8.290 nan 0.000 0.547 359 D N 3.566 123.910 120.400 -0.092 0.000 2.964 359 D HA 0.439 5.079 4.640 -0.000 0.000 0.234 359 D C -1.971 174.148 176.300 -0.302 0.000 1.223 359 D CA -1.290 52.544 54.000 -0.277 0.000 0.889 359 D CB 2.401 43.099 40.800 -0.170 0.000 1.609 359 D HN 0.103 nan 8.370 nan 0.000 0.523 360 P HA -0.144 nan 4.420 nan 0.000 0.217 360 P C 0.315 177.537 177.300 -0.131 0.000 1.148 360 P CA 0.906 63.837 63.100 -0.282 0.000 0.828 360 P CB 0.200 31.699 31.700 -0.335 0.000 0.783 361 N N -0.849 117.766 118.700 -0.140 0.000 2.434 361 N HA 0.111 4.851 4.740 -0.000 0.000 0.196 361 N C 1.431 176.913 175.510 -0.048 0.000 1.183 361 N CA 0.468 53.474 53.050 -0.075 0.000 0.849 361 N CB 0.306 38.750 38.487 -0.072 0.000 0.992 361 N HN 0.350 nan 8.380 nan 0.000 0.460 362 I N -1.092 119.449 120.570 -0.048 0.000 3.814 362 I HA -0.050 4.120 4.170 -0.000 0.000 0.264 362 I C 1.619 177.739 176.117 0.006 0.000 1.145 362 I CA 0.262 61.550 61.300 -0.021 0.000 1.375 362 I CB 0.103 38.085 38.000 -0.029 0.000 1.638 362 I HN -0.145 nan 8.210 nan 0.000 0.432 363 V N -0.295 119.613 119.914 -0.010 0.000 3.541 363 V HA 0.526 4.646 4.120 -0.000 0.000 0.267 363 V C 0.916 177.081 176.094 0.117 0.000 1.213 363 V CA 0.327 62.650 62.300 0.039 0.000 1.149 363 V CB -1.118 30.584 31.823 -0.202 0.000 0.822 363 V HN 0.582 nan 8.190 nan 0.000 0.462 364 G N 0.867 109.707 108.800 0.067 0.000 2.746 364 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.685 364 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.685 364 G C 0.534 175.508 174.900 0.123 0.000 1.350 364 G CA 0.436 45.586 45.100 0.084 0.000 0.837 364 G HN 1.344 nan 8.290 nan 0.000 0.564 365 S N -0.633 115.133 115.700 0.110 0.000 2.356 365 S HA -0.122 4.348 4.470 -0.000 0.000 0.223 365 S C 1.893 176.598 174.600 0.175 0.000 1.032 365 S CA 2.120 60.405 58.200 0.142 0.000 1.005 365 S CB -0.248 63.010 63.200 0.096 0.000 0.867 365 S HN 0.960 nan 8.310 nan 0.000 0.449 366 E N 0.145 120.435 120.200 0.150 0.000 2.106 366 E HA -0.229 4.121 4.350 -0.000 0.000 0.192 366 E C 2.069 178.785 176.600 0.193 0.000 0.984 366 E CA 1.021 57.505 56.400 0.140 0.000 0.806 366 E CB -0.369 29.394 29.700 0.106 0.000 0.750 366 E HN 0.885 nan 8.360 nan 0.000 0.458 367 H N -1.291 117.838 119.070 0.098 0.000 2.293 367 H HA -0.210 4.346 4.556 -0.000 0.000 0.300 367 H C 2.143 177.532 175.328 0.103 0.000 1.082 367 H CA 1.606 57.712 56.048 0.095 0.000 1.308 367 H CB -0.110 29.710 29.762 0.096 0.000 1.375 367 H HN 0.222 nan 8.280 nan 0.000 0.495 368 Y N 1.845 122.205 120.300 0.100 0.000 2.128 368 Y HA -0.259 4.291 4.550 -0.000 0.000 0.284 368 Y C 1.960 177.883 175.900 0.038 0.000 1.154 368 Y CA 2.107 60.209 58.100 0.002 0.000 1.149 368 Y CB -0.414 38.032 38.460 -0.022 0.000 0.976 368 Y HN 0.352 nan 8.280 nan 0.000 0.505 369 D N -0.836 119.586 120.400 0.036 0.000 2.178 369 D HA -0.143 4.497 4.640 -0.000 0.000 0.202 369 D C 2.383 178.648 176.300 -0.058 0.000 0.974 369 D CA 1.407 55.375 54.000 -0.053 0.000 0.841 369 D CB -0.382 40.451 40.800 0.055 0.000 0.953 369 D HN 0.326 nan 8.370 nan 0.000 0.478 370 V N 1.303 121.231 119.914 0.023 0.000 2.358 370 V HA -0.177 3.943 4.120 -0.000 0.000 0.246 370 V C 2.525 178.604 176.094 -0.025 0.000 1.047 370 V CA 1.619 63.942 62.300 0.040 0.000 1.035 370 V CB -0.769 31.118 31.823 0.107 0.000 0.658 370 V HN 0.170 nan 8.190 nan 0.000 0.452 371 A N 0.078 122.872 122.820 -0.044 0.000 1.877 371 A HA -0.207 4.113 4.320 -0.000 0.000 0.216 371 A C 2.339 179.814 177.584 -0.181 0.000 1.186 371 A CA 1.614 53.585 52.037 -0.109 0.000 0.620 371 A CB -0.484 18.466 19.000 -0.083 0.000 0.822 371 A HN 0.371 nan 8.150 nan 0.000 0.443 372 R N -0.468 119.851 120.500 -0.301 0.000 2.096 372 R HA -0.097 4.243 4.340 -0.000 0.000 0.235 372 R C 2.315 178.519 176.300 -0.160 0.000 1.127 372 R CA 1.295 57.214 56.100 -0.301 0.000 0.968 372 R CB -1.678 28.317 30.300 -0.508 0.000 0.861 372 R HN 0.544 nan 8.270 nan 0.000 0.440 373 G N -0.119 108.612 108.800 -0.116 0.000 2.422 373 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.218 373 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.218 373 G C 1.530 176.407 174.900 -0.038 0.000 1.140 373 G CA 0.619 45.686 45.100 -0.055 0.000 0.775 373 G HN 0.188 nan 8.290 nan 0.000 0.545 374 V N 0.381 120.261 119.914 -0.056 0.000 2.379 374 V HA -0.196 3.924 4.120 -0.000 0.000 0.245 374 V C 2.869 178.932 176.094 -0.051 0.000 1.044 374 V CA 2.020 64.289 62.300 -0.053 0.000 1.036 374 V CB -0.501 31.235 31.823 -0.145 0.000 0.664 374 V HN 0.409 nan 8.190 nan 0.000 0.453 375 Q N -0.087 119.670 119.800 -0.073 0.000 2.079 375 Q HA -0.243 4.097 4.340 -0.000 0.000 0.200 375 Q C 2.353 178.335 176.000 -0.031 0.000 0.974 375 Q CA 1.697 57.468 55.803 -0.054 0.000 0.840 375 Q CB -0.237 28.460 28.738 -0.069 0.000 0.898 375 Q HN 0.583 nan 8.270 nan 0.000 0.430 376 K N 1.149 121.526 120.400 -0.037 0.000 2.026 376 K HA -0.169 4.151 4.320 -0.000 0.000 0.208 376 K C 2.002 178.603 176.600 0.001 0.000 1.048 376 K CA 1.160 57.435 56.287 -0.020 0.000 0.929 376 K CB -0.179 32.306 32.500 -0.025 0.000 0.713 376 K HN 0.203 nan 8.250 nan 0.000 0.439 377 I N 1.011 121.583 120.570 0.003 0.000 2.361 377 I HA -0.250 3.920 4.170 -0.000 0.000 0.251 377 I C 1.843 177.989 176.117 0.048 0.000 1.133 377 I CA 0.911 62.222 61.300 0.018 0.000 1.413 377 I CB 0.117 38.120 38.000 0.005 0.000 1.073 377 I HN 0.251 nan 8.210 nan 0.000 0.424 378 L N 0.001 121.249 121.223 0.042 0.000 2.072 378 L HA -0.204 4.136 4.340 -0.000 0.000 0.205 378 L C 2.538 179.460 176.870 0.086 0.000 1.079 378 L CA 1.090 55.979 54.840 0.081 0.000 0.752 378 L CB -0.597 41.491 42.059 0.048 0.000 0.906 378 L HN 0.284 nan 8.230 nan 0.000 0.436 379 Q N 0.179 120.002 119.800 0.038 0.000 2.224 379 Q HA -0.177 4.163 4.340 -0.000 0.000 0.203 379 Q C 1.602 177.616 176.000 0.024 0.000 0.970 379 Q CA 1.412 57.225 55.803 0.017 0.000 0.865 379 Q CB -0.009 28.727 28.738 -0.004 0.000 0.922 379 Q HN 0.403 nan 8.270 nan 0.000 0.445 380 D N -0.792 119.635 120.400 0.045 0.000 2.075 380 D HA -0.185 4.455 4.640 -0.000 0.000 0.196 380 D C 1.545 177.892 176.300 0.077 0.000 0.985 380 D CA 1.337 55.366 54.000 0.049 0.000 0.834 380 D CB -0.742 40.088 40.800 0.050 0.000 0.987 380 D HN 0.294 nan 8.370 nan 0.000 0.452 381 Y N 2.144 122.433 120.300 -0.019 0.000 2.069 381 Y HA -0.310 4.240 4.550 -0.000 0.000 0.278 381 Y C 2.327 178.216 175.900 -0.019 0.000 1.175 381 Y CA 1.966 60.055 58.100 -0.019 0.000 1.134 381 Y CB -0.312 38.136 38.460 -0.020 0.000 0.965 381 Y HN -0.136 nan 8.280 nan 0.000 0.498 382 K N -0.555 119.786 120.400 -0.099 0.000 2.059 382 K HA -0.202 4.118 4.320 -0.000 0.000 0.212 382 K C 2.144 178.630 176.600 -0.190 0.000 1.050 382 K CA 2.033 58.204 56.287 -0.193 0.000 0.927 382 K CB -0.348 32.111 32.500 -0.068 0.000 0.714 382 K HN 0.339 nan 8.250 nan 0.000 0.447 383 S N 0.741 116.376 115.700 -0.109 0.000 2.481 383 S HA -0.014 4.456 4.470 -0.000 0.000 0.231 383 S C 1.684 176.226 174.600 -0.097 0.000 0.996 383 S CA 0.639 58.787 58.200 -0.086 0.000 0.942 383 S CB -0.004 63.167 63.200 -0.048 0.000 0.768 383 S HN 0.253 nan 8.310 nan 0.000 0.520 384 L N 0.853 122.003 121.223 -0.122 0.000 2.249 384 L HA -0.015 4.325 4.340 -0.000 0.000 0.207 384 L C 2.467 179.241 176.870 -0.159 0.000 1.090 384 L CA 0.511 55.290 54.840 -0.102 0.000 0.802 384 L CB -0.551 41.485 42.059 -0.039 0.000 0.947 384 L HN 0.276 nan 8.230 nan 0.000 0.453 385 Q N 0.531 120.142 119.800 -0.314 0.000 2.007 385 Q HA -0.320 4.020 4.340 -0.000 0.000 0.214 385 Q C 1.707 177.612 176.000 -0.159 0.000 1.031 385 Q CA 2.360 57.968 55.803 -0.326 0.000 0.886 385 Q CB -0.355 28.128 28.738 -0.426 0.000 0.992 385 Q HN 0.467 nan 8.270 nan 0.000 0.415 386 D N -0.032 120.288 120.400 -0.133 0.000 2.178 386 D HA -0.111 4.529 4.640 -0.000 0.000 0.201 386 D C 1.849 178.112 176.300 -0.061 0.000 0.980 386 D CA 0.943 54.892 54.000 -0.084 0.000 0.842 386 D CB -0.134 40.621 40.800 -0.075 0.000 0.948 386 D HN 0.283 nan 8.370 nan 0.000 0.472 387 I N 1.385 121.916 120.570 -0.064 0.000 2.130 387 I HA -0.201 3.969 4.170 -0.000 0.000 0.232 387 I C 2.549 178.646 176.117 -0.033 0.000 1.064 387 I CA 0.665 61.940 61.300 -0.042 0.000 1.338 387 I CB -0.350 37.627 38.000 -0.039 0.000 1.084 387 I HN -0.061 nan 8.210 nan 0.000 0.404 388 I N -0.105 120.447 120.570 -0.030 0.000 2.657 388 I HA -0.212 3.958 4.170 -0.000 0.000 0.261 388 I C 2.480 178.589 176.117 -0.013 0.000 1.212 388 I CA 1.321 62.614 61.300 -0.013 0.000 1.453 388 I CB -0.811 37.192 38.000 0.005 0.000 1.092 388 I HN 0.155 nan 8.210 nan 0.000 0.452 389 A N 1.803 124.607 122.820 -0.026 0.000 1.948 389 A HA -0.134 4.186 4.320 -0.000 0.000 0.220 389 A C 2.118 179.693 177.584 -0.015 0.000 1.177 389 A CA 2.199 54.222 52.037 -0.022 0.000 0.636 389 A CB -0.597 18.382 19.000 -0.035 0.000 0.815 389 A HN 0.540 nan 8.150 nan 0.000 0.449 390 I N -1.329 119.231 120.570 -0.017 0.000 2.685 390 I HA 0.032 4.202 4.170 -0.000 0.000 0.251 390 I C 2.209 178.321 176.117 -0.009 0.000 1.102 390 I CA 0.461 61.754 61.300 -0.013 0.000 1.442 390 I CB -0.195 37.796 38.000 -0.015 0.000 1.194 390 I HN 0.174 nan 8.210 nan 0.000 0.448 391 L N 0.146 121.363 121.223 -0.009 0.000 2.109 391 L HA 0.162 4.502 4.340 -0.000 0.000 0.207 391 L C 0.953 177.822 176.870 -0.002 0.000 1.086 391 L CA 0.855 55.691 54.840 -0.006 0.000 0.760 391 L CB -0.869 41.186 42.059 -0.006 0.000 0.910 391 L HN 0.499 nan 8.230 nan 0.000 0.437 392 G N -1.135 107.665 108.800 -0.001 0.000 2.570 392 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.686 392 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.686 392 G C -0.223 174.682 174.900 0.008 0.000 1.257 392 G CA -0.074 45.028 45.100 0.004 0.000 0.846 392 G HN 0.001 nan 8.290 nan 0.000 0.627 393 M N -0.212 119.395 119.600 0.012 0.000 2.510 393 M HA 0.176 4.656 4.480 -0.000 0.000 0.256 393 M C 1.735 178.042 176.300 0.013 0.000 1.132 393 M CA 1.312 56.622 55.300 0.017 0.000 1.105 393 M CB 0.029 32.643 32.600 0.022 0.000 1.375 393 M HN 0.562 nan 8.290 nan 0.000 0.477 394 D N 0.686 121.092 120.400 0.010 0.000 2.311 394 D HA -0.172 4.468 4.640 -0.000 0.000 0.212 394 D C 1.644 177.948 176.300 0.007 0.000 0.972 394 D CA 0.950 54.955 54.000 0.008 0.000 0.887 394 D CB 0.041 40.845 40.800 0.006 0.000 0.915 394 D HN 0.346 nan 8.370 nan 0.000 0.497 395 E N -0.283 119.921 120.200 0.007 0.000 2.400 395 E HA 0.088 4.438 4.350 -0.000 0.000 0.195 395 E C 0.521 177.125 176.600 0.007 0.000 1.012 395 E CA -0.068 56.335 56.400 0.005 0.000 0.875 395 E CB 0.216 29.918 29.700 0.004 0.000 0.859 395 E HN 0.346 nan 8.360 nan 0.000 0.498 396 L N 2.581 123.810 121.223 0.010 0.000 2.513 396 L HA -0.018 4.322 4.340 -0.000 0.000 0.272 396 L C 1.034 177.909 176.870 0.010 0.000 1.187 396 L CA -0.160 54.687 54.840 0.012 0.000 0.895 396 L CB 0.313 42.383 42.059 0.019 0.000 1.147 396 L HN -0.027 nan 8.230 nan 0.000 0.483 397 S N 2.194 117.899 115.700 0.008 0.000 2.576 397 S HA 0.041 4.511 4.470 -0.000 0.000 0.272 397 S C 1.025 175.629 174.600 0.006 0.000 1.352 397 S CA -0.679 57.524 58.200 0.006 0.000 1.021 397 S CB 0.868 64.071 63.200 0.005 0.000 0.887 397 S HN 0.613 nan 8.310 nan 0.000 0.542 398 E N 1.158 121.360 120.200 0.004 0.000 2.331 398 E HA -0.133 4.217 4.350 -0.000 0.000 0.199 398 E C 1.687 178.288 176.600 0.002 0.000 1.008 398 E CA 1.046 57.448 56.400 0.003 0.000 0.843 398 E CB -0.203 29.499 29.700 0.003 0.000 0.761 398 E HN 0.726 nan 8.360 nan 0.000 0.507 399 E N 0.783 120.984 120.200 0.002 0.000 2.086 399 E HA -0.089 4.261 4.350 -0.000 0.000 0.190 399 E C 1.580 178.182 176.600 0.002 0.000 0.975 399 E CA 0.564 56.965 56.400 0.001 0.000 0.813 399 E CB -0.173 29.528 29.700 0.002 0.000 0.768 399 E HN 0.296 nan 8.360 nan 0.000 0.457 400 D N 2.243 122.647 120.400 0.007 0.000 2.078 400 D HA -0.165 4.475 4.640 -0.000 0.000 0.193 400 D C 1.902 178.210 176.300 0.014 0.000 0.990 400 D CA 1.351 55.359 54.000 0.013 0.000 0.827 400 D CB -0.377 40.434 40.800 0.018 0.000 0.975 400 D HN 0.296 nan 8.370 nan 0.000 0.451 401 K N 0.753 121.160 120.400 0.012 0.000 2.218 401 K HA -0.140 4.180 4.320 -0.000 0.000 0.205 401 K C 2.209 178.804 176.600 -0.009 0.000 1.046 401 K CA 0.755 57.048 56.287 0.009 0.000 0.933 401 K CB -0.436 32.070 32.500 0.010 0.000 0.728 401 K HN 0.120 nan 8.250 nan 0.000 0.454 402 L N 2.600 123.816 121.223 -0.011 0.000 2.141 402 L HA -0.124 4.216 4.340 -0.000 0.000 0.209 402 L C 2.569 179.415 176.870 -0.039 0.000 1.094 402 L CA 2.202 57.028 54.840 -0.023 0.000 0.763 402 L CB -0.645 41.405 42.059 -0.015 0.000 0.908 402 L HN 0.462 nan 8.230 nan 0.000 0.437 403 T N -4.122 110.415 114.554 -0.029 0.000 2.857 403 T HA -0.103 4.247 4.350 -0.000 0.000 0.266 403 T C 1.841 176.491 174.700 -0.084 0.000 1.048 403 T CA 1.247 63.323 62.100 -0.041 0.000 1.139 403 T CB -0.909 67.952 68.868 -0.012 0.000 0.874 403 T HN 0.110 nan 8.240 nan 0.000 0.455 404 V N 2.061 121.934 119.914 -0.069 0.000 2.546 404 V HA -0.182 3.938 4.120 -0.000 0.000 0.254 404 V C 3.014 178.950 176.094 -0.263 0.000 1.076 404 V CA 2.065 64.269 62.300 -0.159 0.000 1.087 404 V CB -1.005 30.808 31.823 -0.017 0.000 0.674 404 V HN 0.566 nan 8.190 nan 0.000 0.470 405 S N -0.058 115.544 115.700 -0.163 0.000 2.345 405 S HA -0.138 4.332 4.470 -0.000 0.000 0.219 405 S C 2.074 176.540 174.600 -0.223 0.000 1.031 405 S CA 1.370 59.469 58.200 -0.167 0.000 0.984 405 S CB -0.251 62.886 63.200 -0.105 0.000 0.874 405 S HN 0.596 nan 8.310 nan 0.000 0.451 406 R N 1.600 121.986 120.500 -0.190 0.000 2.115 406 R HA 0.139 4.479 4.340 -0.000 0.000 0.230 406 R C 2.499 178.670 176.300 -0.215 0.000 1.111 406 R CA 0.979 56.957 56.100 -0.203 0.000 0.976 406 R CB -0.516 29.709 30.300 -0.124 0.000 0.870 406 R HN 0.373 nan 8.270 nan 0.000 0.445 407 A N 1.764 124.441 122.820 -0.238 0.000 1.865 407 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 407 A C 2.094 179.507 177.584 -0.286 0.000 1.191 407 A CA 1.447 53.330 52.037 -0.257 0.000 0.623 407 A CB -0.458 18.296 19.000 -0.409 0.000 0.826 407 A HN 0.211 nan 8.150 nan 0.000 0.444 408 R N -0.250 120.002 120.500 -0.414 0.000 2.103 408 R HA -0.167 4.173 4.340 -0.000 0.000 0.242 408 R C 2.227 178.392 176.300 -0.225 0.000 1.142 408 R CA 1.856 57.768 56.100 -0.313 0.000 0.960 408 R CB -0.310 29.805 30.300 -0.309 0.000 0.858 408 R HN 0.580 nan 8.270 nan 0.000 0.439 409 K N 0.239 120.431 120.400 -0.345 0.000 2.062 409 K HA -0.046 4.273 4.320 -0.000 0.000 0.205 409 K C 2.121 178.533 176.600 -0.314 0.000 1.051 409 K CA 1.035 56.961 56.287 -0.601 0.000 0.941 409 K CB -0.095 31.672 32.500 -1.222 0.000 0.719 409 K HN 0.153 nan 8.250 nan 0.000 0.440 410 I N 1.565 122.052 120.570 -0.139 0.000 2.286 410 I HA -0.306 3.864 4.170 -0.000 0.000 0.248 410 I C 2.851 179.112 176.117 0.240 0.000 1.115 410 I CA 1.254 62.659 61.300 0.175 0.000 1.392 410 I CB -0.214 37.887 38.000 0.169 0.000 1.065 410 I HN 0.318 nan 8.210 nan 0.000 0.418 411 Q N 0.985 120.835 119.800 0.083 0.000 2.030 411 Q HA -0.248 4.092 4.340 -0.000 0.000 0.204 411 Q C 2.403 178.487 176.000 0.140 0.000 0.986 411 Q CA 1.850 57.707 55.803 0.090 0.000 0.843 411 Q CB 0.031 28.788 28.738 0.032 0.000 0.904 411 Q HN 0.446 nan 8.270 nan 0.000 0.420 412 R N -0.598 119.987 120.500 0.142 0.000 2.075 412 R HA -0.119 4.221 4.340 -0.000 0.000 0.232 412 R C 2.132 178.620 176.300 0.313 0.000 1.126 412 R CA 1.196 57.443 56.100 0.245 0.000 0.963 412 R CB -0.452 30.009 30.300 0.268 0.000 0.858 412 R HN 0.228 nan 8.270 nan 0.000 0.435 413 F N 1.552 121.596 119.950 0.156 0.000 2.449 413 F HA -0.097 4.430 4.527 -0.000 0.000 0.299 413 F C 1.521 177.436 175.800 0.191 0.000 1.092 413 F CA 0.992 59.066 58.000 0.122 0.000 1.446 413 F CB -0.051 38.920 39.000 -0.048 0.000 1.084 413 F HN -0.038 nan 8.300 nan 0.000 0.567 414 L N -0.676 120.684 121.223 0.228 0.000 2.240 414 L HA -0.045 4.295 4.340 -0.000 0.000 0.211 414 L C 1.610 178.499 176.870 0.033 0.000 1.106 414 L CA 0.411 55.349 54.840 0.163 0.000 0.793 414 L CB -0.782 41.375 42.059 0.163 0.000 0.927 414 L HN 0.080 nan 8.230 nan 0.000 0.446 415 S N 0.017 115.738 115.700 0.035 0.000 2.587 415 S HA 0.198 4.668 4.470 -0.000 0.000 0.260 415 S C -0.174 174.352 174.600 -0.124 0.000 1.353 415 S CA -0.426 57.754 58.200 -0.034 0.000 0.995 415 S CB 1.375 64.576 63.200 0.002 0.000 0.912 415 S HN 0.311 nan 8.310 nan 0.000 0.568 416 Q N 0.020 119.714 119.800 -0.177 0.000 2.507 416 Q HA 0.268 4.608 4.340 -0.000 0.000 0.242 416 Q C -3.211 172.669 176.000 -0.199 0.000 0.911 416 Q CA -1.399 54.316 55.803 -0.148 0.000 1.019 416 Q CB 1.805 30.531 28.738 -0.020 0.000 1.523 416 Q HN 0.528 nan 8.270 nan 0.000 0.459 417 P HA 0.154 nan 4.420 nan 0.000 0.271 417 P C -0.923 176.498 177.300 0.202 0.000 1.233 417 P CA 0.060 63.144 63.100 -0.027 0.000 0.764 417 P CB 0.148 31.830 31.700 -0.029 0.000 0.825 418 F N 1.855 121.821 119.950 0.028 0.000 2.379 418 F HA 0.248 4.775 4.527 -0.000 0.000 0.332 418 F C 2.151 177.966 175.800 0.024 0.000 1.096 418 F CA -1.042 56.976 58.000 0.029 0.000 1.105 418 F CB 0.782 39.810 39.000 0.047 0.000 1.189 418 F HN 0.420 nan 8.300 nan 0.000 0.515 419 Q N 1.367 121.266 119.800 0.164 0.000 2.061 419 Q HA -0.116 4.224 4.340 -0.000 0.000 0.204 419 Q C 1.639 177.679 176.000 0.067 0.000 0.984 419 Q CA 1.762 57.610 55.803 0.075 0.000 0.846 419 Q CB -0.029 28.718 28.738 0.016 0.000 0.902 419 Q HN 0.555 nan 8.270 nan 0.000 0.421 420 V N 0.379 120.341 119.914 0.081 0.000 2.720 420 V HA -0.164 3.956 4.120 -0.000 0.000 0.256 420 V C 1.575 177.747 176.094 0.130 0.000 1.082 420 V CA 1.560 63.908 62.300 0.081 0.000 1.101 420 V CB -0.275 31.593 31.823 0.074 0.000 0.693 420 V HN 0.476 nan 8.190 nan 0.000 0.479 421 A N -1.109 121.835 122.820 0.206 0.000 2.500 421 A HA 0.204 4.524 4.320 -0.000 0.000 0.267 421 A C 1.620 179.251 177.584 0.078 0.000 1.290 421 A CA -0.116 52.066 52.037 0.242 0.000 0.928 421 A CB -0.232 18.959 19.000 0.319 0.000 1.066 421 A HN 0.548 nan 8.150 nan 0.000 0.516 422 E N 0.066 120.269 120.200 0.005 0.000 2.160 422 E HA -0.190 4.160 4.350 -0.000 0.000 0.195 422 E C 1.885 178.407 176.600 -0.131 0.000 0.991 422 E CA 1.637 58.020 56.400 -0.028 0.000 0.810 422 E CB -0.389 29.296 29.700 -0.025 0.000 0.742 422 E HN 0.660 nan 8.360 nan 0.000 0.466 423 V N -1.421 118.303 119.914 -0.317 0.000 2.913 423 V HA -0.165 3.955 4.120 -0.000 0.000 0.260 423 V C 1.554 177.391 176.094 -0.429 0.000 1.098 423 V CA 1.359 63.393 62.300 -0.444 0.000 1.121 423 V CB -0.649 30.779 31.823 -0.659 0.000 0.714 423 V HN 0.086 nan 8.190 nan 0.000 0.487 424 F N 1.675 121.611 119.950 -0.024 0.000 2.453 424 F HA 0.155 4.682 4.527 -0.000 0.000 0.284 424 F C 2.710 178.498 175.800 -0.020 0.000 1.065 424 F CA 1.018 58.996 58.000 -0.036 0.000 1.411 424 F CB -1.241 37.710 39.000 -0.083 0.000 1.131 424 F HN 0.195 nan 8.300 nan 0.000 0.582 425 T N -2.452 112.198 114.554 0.160 0.000 2.812 425 T HA 0.224 4.574 4.350 -0.000 0.000 0.264 425 T C 1.905 176.608 174.700 0.005 0.000 1.042 425 T CA 0.922 63.116 62.100 0.157 0.000 1.140 425 T CB -0.881 68.119 68.868 0.221 0.000 0.870 425 T HN 0.513 nan 8.240 nan 0.000 0.445 426 G N 1.255 110.024 108.800 -0.051 0.000 2.160 426 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.244 426 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.244 426 G C -0.185 174.546 174.900 -0.282 0.000 1.022 426 G CA 0.230 45.233 45.100 -0.162 0.000 0.741 426 G HN 0.885 nan 8.290 nan 0.000 0.508 427 H N -1.935 117.132 119.070 -0.005 0.000 2.821 427 H HA 0.612 5.168 4.556 -0.000 0.000 0.373 427 H C -0.098 175.225 175.328 -0.007 0.000 1.165 427 H CA -1.019 55.022 56.048 -0.012 0.000 1.154 427 H CB 1.823 31.569 29.762 -0.027 0.000 1.765 427 H HN 0.273 nan 8.280 nan 0.000 0.549 428 L N 1.794 123.099 121.223 0.135 0.000 2.367 428 L HA 0.366 4.706 4.340 -0.000 0.000 0.275 428 L C 0.646 177.558 176.870 0.069 0.000 1.129 428 L CA 0.100 54.983 54.840 0.072 0.000 0.839 428 L CB 0.383 42.470 42.059 0.046 0.000 1.133 428 L HN 0.805 nan 8.230 nan 0.000 0.453 429 G N 4.623 113.462 108.800 0.066 0.000 2.313 429 G HA2 0.170 4.130 3.960 -0.000 0.000 0.250 429 G HA3 0.170 4.130 3.960 -0.000 0.000 0.250 429 G C -0.306 174.628 174.900 0.057 0.000 1.281 429 G CA -0.489 44.660 45.100 0.082 0.000 0.917 429 G HN 0.553 nan 8.290 nan 0.000 0.501 430 K N 1.126 121.562 120.400 0.060 0.000 2.156 430 K HA 0.563 4.883 4.320 -0.000 0.000 0.250 430 K C -0.824 175.807 176.600 0.052 0.000 0.955 430 K CA -0.947 55.361 56.287 0.035 0.000 0.855 430 K CB 2.515 35.017 32.500 0.004 0.000 1.101 430 K HN 0.356 nan 8.250 nan 0.000 0.434 431 L N 1.380 122.620 121.223 0.028 0.000 2.409 431 L HA 0.389 4.729 4.340 -0.000 0.000 0.272 431 L C -1.465 175.412 176.870 0.012 0.000 0.980 431 L CA -0.698 54.155 54.840 0.021 0.000 0.826 431 L CB 1.966 44.027 42.059 0.004 0.000 1.268 431 L HN 0.273 nan 8.230 nan 0.000 0.407 432 V N 5.732 125.653 119.914 0.011 0.000 2.448 432 V HA 0.568 4.688 4.120 -0.000 0.000 0.295 432 V C -2.144 173.957 176.094 0.011 0.000 1.025 432 V CA -1.668 60.637 62.300 0.009 0.000 0.859 432 V CB 1.482 33.303 31.823 -0.003 0.000 0.988 432 V HN 0.653 nan 8.190 nan 0.000 0.431 433 P HA 0.166 nan 4.420 nan 0.000 0.271 433 P C 0.755 178.063 177.300 0.012 0.000 1.218 433 P CA -0.413 62.695 63.100 0.012 0.000 0.780 433 P CB 0.858 32.566 31.700 0.014 0.000 0.901 434 L N 3.494 124.717 121.223 0.000 0.000 2.021 434 L HA -0.248 4.092 4.340 -0.000 0.000 0.215 434 L C 1.991 178.844 176.870 -0.029 0.000 1.074 434 L CA 2.149 56.974 54.840 -0.025 0.000 0.760 434 L CB -0.909 41.130 42.059 -0.033 0.000 0.889 434 L HN 0.299 nan 8.230 nan 0.000 0.433 435 K N -0.912 119.482 120.400 -0.009 0.000 2.057 435 K HA -0.142 4.178 4.320 -0.000 0.000 0.207 435 K C 1.975 178.594 176.600 0.031 0.000 1.049 435 K CA 1.427 57.716 56.287 0.003 0.000 0.931 435 K CB -0.147 32.361 32.500 0.012 0.000 0.714 435 K HN 0.333 nan 8.250 nan 0.000 0.440 436 E N 0.179 120.403 120.200 0.042 0.000 2.150 436 E HA -0.107 4.243 4.350 -0.000 0.000 0.193 436 E C 2.014 178.679 176.600 0.108 0.000 0.985 436 E CA 1.056 57.494 56.400 0.065 0.000 0.814 436 E CB -0.263 29.469 29.700 0.053 0.000 0.752 436 E HN 0.255 nan 8.360 nan 0.000 0.466 437 T N 1.807 116.424 114.554 0.105 0.000 2.674 437 T HA -0.094 4.256 4.350 -0.000 0.000 0.265 437 T C 2.115 176.987 174.700 0.287 0.000 1.039 437 T CA 1.028 63.241 62.100 0.189 0.000 1.150 437 T CB -0.239 68.713 68.868 0.139 0.000 0.864 437 T HN 0.112 nan 8.240 nan 0.000 0.427 438 I N 1.181 121.840 120.570 0.148 0.000 2.163 438 I HA -0.240 3.930 4.170 -0.000 0.000 0.243 438 I C 2.656 178.883 176.117 0.183 0.000 1.085 438 I CA 1.529 62.917 61.300 0.146 0.000 1.347 438 I CB -0.466 37.543 38.000 0.014 0.000 1.044 438 I HN 0.269 nan 8.210 nan 0.000 0.408 439 K N 1.495 121.973 120.400 0.129 0.000 2.032 439 K HA -0.186 4.134 4.320 -0.000 0.000 0.209 439 K C 2.152 178.824 176.600 0.120 0.000 1.048 439 K CA 1.913 58.267 56.287 0.111 0.000 0.927 439 K CB -0.585 31.963 32.500 0.081 0.000 0.712 439 K HN 0.349 nan 8.250 nan 0.000 0.441 440 G N 0.650 109.520 108.800 0.117 0.000 2.491 440 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.218 440 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.218 440 G C 1.277 176.110 174.900 -0.112 0.000 1.180 440 G CA 1.062 46.140 45.100 -0.036 0.000 0.774 440 G HN 0.314 nan 8.290 nan 0.000 0.562 441 F N 0.629 120.724 119.950 0.241 0.000 2.146 441 F HA -0.001 4.526 4.527 -0.000 0.000 0.298 441 F C 2.912 178.773 175.800 0.101 0.000 1.096 441 F CA 1.529 59.641 58.000 0.186 0.000 1.275 441 F CB -0.654 38.463 39.000 0.195 0.000 1.008 441 F HN 0.173 nan 8.300 nan 0.000 0.480 442 Q N 0.308 120.260 119.800 0.253 0.000 2.014 442 Q HA -0.300 4.040 4.340 -0.000 0.000 0.207 442 Q C 2.247 178.311 176.000 0.107 0.000 0.993 442 Q CA 2.349 58.244 55.803 0.153 0.000 0.850 442 Q CB -0.218 28.591 28.738 0.118 0.000 0.916 442 Q HN 0.482 nan 8.270 nan 0.000 0.417 443 Q N -0.105 119.756 119.800 0.101 0.000 2.077 443 Q HA -0.216 4.124 4.340 -0.000 0.000 0.206 443 Q C 2.173 178.219 176.000 0.078 0.000 0.989 443 Q CA 1.794 57.643 55.803 0.077 0.000 0.853 443 Q CB -0.274 28.580 28.738 0.194 0.000 0.907 443 Q HN 0.503 nan 8.270 nan 0.000 0.418 444 I N 0.563 121.207 120.570 0.123 0.000 2.286 444 I HA -0.280 3.890 4.170 -0.000 0.000 0.248 444 I C 2.186 178.324 176.117 0.035 0.000 1.115 444 I CA 0.975 62.327 61.300 0.087 0.000 1.392 444 I CB -0.201 37.791 38.000 -0.013 0.000 1.065 444 I HN 0.231 nan 8.210 nan 0.000 0.418 445 L N 0.441 121.703 121.223 0.065 0.000 2.201 445 L HA -0.141 4.199 4.340 -0.000 0.000 0.212 445 L C 2.386 179.264 176.870 0.013 0.000 1.105 445 L CA 0.931 55.798 54.840 0.044 0.000 0.775 445 L CB -0.483 41.615 42.059 0.066 0.000 0.913 445 L HN 0.227 nan 8.230 nan 0.000 0.440 446 A N -0.631 122.193 122.820 0.007 0.000 2.276 446 A HA 0.295 4.614 4.320 -0.000 0.000 0.212 446 A C 1.766 179.328 177.584 -0.036 0.000 1.230 446 A CA 0.708 52.737 52.037 -0.014 0.000 0.844 446 A CB -0.555 18.434 19.000 -0.018 0.000 0.860 446 A HN 0.537 nan 8.150 nan 0.000 0.486 447 G N -0.495 108.281 108.800 -0.041 0.000 2.234 447 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.260 447 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.260 447 G C 0.825 175.671 174.900 -0.090 0.000 0.987 447 G CA 0.830 45.900 45.100 -0.051 0.000 0.625 447 G HN 0.569 nan 8.290 nan 0.000 0.532 448 E N -0.291 119.816 120.200 -0.154 0.000 2.037 448 E HA -0.219 4.131 4.350 -0.000 0.000 0.214 448 E C 1.156 177.510 176.600 -0.410 0.000 1.041 448 E CA 1.906 58.116 56.400 -0.317 0.000 0.872 448 E CB -0.271 29.102 29.700 -0.544 0.000 0.785 448 E HN 0.656 nan 8.360 nan 0.000 0.476 449 Y N 1.452 121.649 120.300 -0.172 0.000 2.687 449 Y HA -0.020 4.530 4.550 -0.000 0.000 0.367 449 Y C 0.985 176.675 175.900 -0.351 0.000 1.119 449 Y CA -0.002 57.868 58.100 -0.384 0.000 1.459 449 Y CB -0.347 38.063 38.460 -0.083 0.000 1.399 449 Y HN 0.034 nan 8.280 nan 0.000 0.481 450 D N -0.609 119.675 120.400 -0.194 0.000 2.264 450 D HA -0.157 4.483 4.640 -0.000 0.000 0.208 450 D C 1.978 178.255 176.300 -0.038 0.000 0.966 450 D CA 1.125 55.080 54.000 -0.075 0.000 0.864 450 D CB -0.138 40.649 40.800 -0.021 0.000 0.933 450 D HN 0.652 nan 8.370 nan 0.000 0.499 451 H N -0.975 118.148 119.070 0.088 0.000 2.551 451 H HA 0.143 4.699 4.556 -0.000 0.000 0.266 451 H C 0.770 176.158 175.328 0.100 0.000 0.964 451 H CA -0.019 56.072 56.048 0.073 0.000 1.180 451 H CB 0.161 29.950 29.762 0.046 0.000 1.408 451 H HN 0.085 nan 8.280 nan 0.000 0.563 452 L N 2.473 123.706 121.223 0.017 0.000 2.379 452 L HA 0.342 4.682 4.340 -0.000 0.000 0.269 452 L C -2.223 174.758 176.870 0.185 0.000 1.084 452 L CA -2.214 52.698 54.840 0.120 0.000 0.802 452 L CB 1.027 43.114 42.059 0.046 0.000 1.175 452 L HN -0.016 nan 8.230 nan 0.000 0.448 453 P HA 0.141 nan 4.420 nan 0.000 0.279 453 P C 0.086 177.537 177.300 0.252 0.000 1.239 453 P CA -0.370 62.817 63.100 0.146 0.000 0.789 453 P CB 0.816 32.571 31.700 0.091 0.000 0.933 454 E N 1.221 121.531 120.200 0.183 0.000 2.086 454 E HA -0.290 4.060 4.350 -0.000 0.000 0.205 454 E C 1.704 178.482 176.600 0.298 0.000 1.027 454 E CA 1.398 57.910 56.400 0.188 0.000 0.830 454 E CB -0.167 29.554 29.700 0.035 0.000 0.751 454 E HN 0.504 nan 8.360 nan 0.000 0.456 455 Q N -0.445 119.464 119.800 0.182 0.000 2.297 455 Q HA -0.155 4.185 4.340 -0.000 0.000 0.208 455 Q C 2.072 178.183 176.000 0.185 0.000 0.981 455 Q CA 1.144 57.056 55.803 0.182 0.000 0.876 455 Q CB -0.244 28.567 28.738 0.121 0.000 0.921 455 Q HN 0.298 nan 8.270 nan 0.000 0.446 456 A N -0.325 122.566 122.820 0.119 0.000 2.019 456 A HA -0.136 4.184 4.320 -0.000 0.000 0.219 456 A C 1.603 179.086 177.584 -0.170 0.000 1.164 456 A CA 1.005 52.984 52.037 -0.097 0.000 0.644 456 A CB -0.561 18.250 19.000 -0.316 0.000 0.805 456 A HN 0.287 nan 8.150 nan 0.000 0.449 457 F N -2.493 117.471 119.950 0.025 0.000 2.569 457 F HA 0.142 4.669 4.527 -0.000 0.000 0.295 457 F C 0.890 176.778 175.800 0.148 0.000 1.115 457 F CA -0.136 57.902 58.000 0.063 0.000 1.450 457 F CB -0.361 38.664 39.000 0.042 0.000 1.107 457 F HN 0.276 nan 8.300 nan 0.000 0.563 458 Y N 2.345 122.753 120.300 0.180 0.000 2.569 458 Y HA 0.185 4.735 4.550 -0.000 0.000 0.332 458 Y C 0.549 176.452 175.900 0.005 0.000 1.120 458 Y CA -1.173 56.982 58.100 0.091 0.000 1.416 458 Y CB -0.115 38.388 38.460 0.072 0.000 1.210 458 Y HN 0.072 nan 8.280 nan 0.000 0.528 459 M N 6.037 125.331 119.600 -0.510 0.000 2.691 459 M HA -0.165 4.315 4.480 -0.000 0.000 0.185 459 M C -1.126 174.924 176.300 -0.416 0.000 0.998 459 M CA 1.020 55.936 55.300 -0.641 0.000 0.632 459 M CB -2.472 29.469 32.600 -1.099 0.000 1.219 459 M HN 0.486 nan 8.290 nan 0.000 0.829 460 V N -2.611 117.171 119.914 -0.220 0.000 3.084 460 V HA 1.104 5.224 4.120 -0.000 0.000 0.311 460 V C 0.603 176.633 176.094 -0.106 0.000 1.311 460 V CA -0.002 62.210 62.300 -0.148 0.000 1.062 460 V CB 1.545 33.321 31.823 -0.079 0.000 1.113 460 V HN 0.446 nan 8.190 nan 0.000 0.468 461 G N -0.162 108.603 108.800 -0.059 0.000 2.992 461 G HA2 0.504 4.464 3.960 -0.000 0.000 0.195 461 G HA3 0.504 4.464 3.960 -0.000 0.000 0.195 461 G C -2.280 172.617 174.900 -0.005 0.000 2.032 461 G CA -0.231 44.842 45.100 -0.045 0.000 0.831 461 G HN 0.777 nan 8.290 nan 0.000 0.647 462 P HA 0.164 nan 4.420 nan 0.000 0.274 462 P C 0.721 178.109 177.300 0.146 0.000 1.256 462 P CA -0.546 62.617 63.100 0.104 0.000 0.795 462 P CB 1.509 33.237 31.700 0.046 0.000 1.038 463 I N 0.917 121.550 120.570 0.104 0.000 2.361 463 I HA -0.263 3.907 4.170 -0.000 0.000 0.251 463 I C 1.756 177.689 176.117 -0.308 0.000 1.133 463 I CA 1.822 62.959 61.300 -0.273 0.000 1.413 463 I CB -0.751 36.961 38.000 -0.481 0.000 1.073 463 I HN 0.242 nan 8.210 nan 0.000 0.424 464 E N 0.658 120.767 120.200 -0.151 0.000 2.160 464 E HA -0.235 4.115 4.350 -0.000 0.000 0.195 464 E C 2.028 178.544 176.600 -0.140 0.000 0.991 464 E CA 1.534 57.858 56.400 -0.128 0.000 0.810 464 E CB -0.353 29.314 29.700 -0.054 0.000 0.742 464 E HN 0.619 nan 8.360 nan 0.000 0.466 465 E N 0.117 120.247 120.200 -0.118 0.000 2.208 465 E HA -0.054 4.296 4.350 -0.000 0.000 0.193 465 E C 1.933 178.427 176.600 -0.177 0.000 0.988 465 E CA 0.780 57.114 56.400 -0.110 0.000 0.828 465 E CB -0.066 29.591 29.700 -0.071 0.000 0.763 465 E HN 0.297 nan 8.360 nan 0.000 0.478 466 A N 0.957 123.603 122.820 -0.289 0.000 1.970 466 A HA -0.058 4.262 4.320 -0.000 0.000 0.216 466 A C 2.427 179.723 177.584 -0.481 0.000 1.170 466 A CA 0.591 52.347 52.037 -0.469 0.000 0.645 466 A CB -0.276 18.211 19.000 -0.855 0.000 0.816 466 A HN 0.075 nan 8.150 nan 0.000 0.447 467 V N -0.017 119.649 119.914 -0.413 0.000 2.270 467 V HA -0.225 3.895 4.120 -0.000 0.000 0.245 467 V C 3.065 179.074 176.094 -0.143 0.000 1.043 467 V CA 1.840 63.987 62.300 -0.255 0.000 1.014 467 V CB -1.336 30.392 31.823 -0.159 0.000 0.645 467 V HN 0.596 nan 8.190 nan 0.000 0.447 468 A N 0.035 122.783 122.820 -0.121 0.000 1.859 468 A HA -0.367 3.953 4.320 -0.000 0.000 0.218 468 A C 2.327 179.868 177.584 -0.073 0.000 1.209 468 A CA 2.719 54.711 52.037 -0.075 0.000 0.639 468 A CB -0.764 18.198 19.000 -0.063 0.000 0.835 468 A HN 0.514 nan 8.150 nan 0.000 0.450 469 K N -0.539 119.804 120.400 -0.095 0.000 2.089 469 K HA -0.216 4.104 4.320 -0.000 0.000 0.210 469 K C 2.154 178.716 176.600 -0.062 0.000 1.048 469 K CA 1.517 57.761 56.287 -0.072 0.000 0.926 469 K CB -0.403 32.045 32.500 -0.087 0.000 0.714 469 K HN 0.436 nan 8.250 nan 0.000 0.448 470 A N 1.673 124.433 122.820 -0.100 0.000 1.873 470 A HA -0.266 4.054 4.320 -0.000 0.000 0.218 470 A C 1.611 179.184 177.584 -0.017 0.000 1.193 470 A CA 2.376 54.378 52.037 -0.059 0.000 0.629 470 A CB -0.845 18.112 19.000 -0.072 0.000 0.826 470 A HN 0.497 nan 8.150 nan 0.000 0.447 471 D N -0.589 119.800 120.400 -0.018 0.000 2.087 471 D HA -0.174 4.466 4.640 -0.000 0.000 0.192 471 D C 1.856 178.155 176.300 -0.001 0.000 0.993 471 D CA 1.673 55.670 54.000 -0.004 0.000 0.828 471 D CB -0.338 40.458 40.800 -0.007 0.000 0.968 471 D HN 0.575 nan 8.370 nan 0.000 0.448 472 K N 0.375 120.771 120.400 -0.006 0.000 2.228 472 K HA -0.139 4.181 4.320 -0.000 0.000 0.205 472 K C 1.782 178.389 176.600 0.010 0.000 1.045 472 K CA 0.731 57.019 56.287 0.002 0.000 0.931 472 K CB -0.196 32.306 32.500 0.002 0.000 0.727 472 K HN 0.169 nan 8.250 nan 0.000 0.458 473 L N 0.045 121.275 121.223 0.011 0.000 2.465 473 L HA -0.079 4.261 4.340 -0.000 0.000 0.224 473 L C 2.350 179.232 176.870 0.021 0.000 1.145 473 L CA 0.514 55.367 54.840 0.021 0.000 0.834 473 L CB -0.376 41.697 42.059 0.024 0.000 0.944 473 L HN 0.273 nan 8.230 nan 0.000 0.451 474 A N -0.258 122.572 122.820 0.017 0.000 1.940 474 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 474 A C 1.004 178.597 177.584 0.016 0.000 1.176 474 A CA 1.791 53.837 52.037 0.016 0.000 0.631 474 A CB -0.064 18.944 19.000 0.012 0.000 0.814 474 A HN 0.465 nan 8.150 nan 0.000 0.446 475 E N 0.000 120.209 120.200 0.015 0.000 2.725 475 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 475 E CA 0.000 56.409 56.400 0.015 0.000 0.976 475 E CB 0.000 29.707 29.700 0.012 0.000 0.812 475 E HN 0.000 nan 8.360 nan 0.000 0.440