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 2jiz_1_K 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 0.000 174.850 174.700 0.249 0.000 1.109 9 T CA 0.000 62.183 62.100 0.138 0.000 1.349 9 T CB 0.000 68.950 68.868 0.137 0.000 0.612 10 T N 1.730 116.399 114.554 0.191 0.000 2.794 10 T HA 0.751 5.101 4.350 0.000 0.000 0.280 10 T C 0.660 175.284 174.700 -0.126 0.000 0.987 10 T CA -0.230 61.916 62.100 0.076 0.000 0.993 10 T CB 1.327 70.198 68.868 0.005 0.000 0.939 10 T HN 1.064 nan 8.240 nan 0.000 0.449 11 G N 2.046 110.524 108.800 -0.538 0.000 2.932 11 G HA2 0.777 4.737 3.960 0.000 0.000 0.283 11 G HA3 0.777 4.737 3.960 0.000 0.000 0.283 11 G C -1.117 173.451 174.900 -0.553 0.000 1.336 11 G CA -0.934 43.481 45.100 -1.142 0.000 1.056 11 G HN 0.566 nan 8.290 nan 0.000 0.522 12 R N -0.813 119.401 120.500 -0.477 0.000 2.574 12 R HA 0.364 4.704 4.340 0.000 0.000 0.288 12 R C -0.358 175.824 176.300 -0.196 0.000 1.004 12 R CA -0.668 55.281 56.100 -0.250 0.000 0.895 12 R CB 2.295 32.490 30.300 -0.176 0.000 1.191 12 R HN 0.408 nan 8.270 nan 0.000 0.444 13 I N 3.832 124.325 120.570 -0.128 0.000 2.668 13 I HA -0.065 4.105 4.170 0.000 0.000 0.285 13 I C 1.442 177.519 176.117 -0.067 0.000 1.168 13 I CA 0.226 61.477 61.300 -0.083 0.000 1.424 13 I CB 0.756 38.724 38.000 -0.054 0.000 1.377 13 I HN 0.569 nan 8.210 nan 0.000 0.560 14 V N 2.856 122.738 119.914 -0.053 0.000 3.570 14 V HA 0.566 4.686 4.120 0.000 0.000 0.257 14 V C 0.562 176.642 176.094 -0.024 0.000 1.272 14 V CA 0.338 62.615 62.300 -0.039 0.000 1.079 14 V CB 0.324 32.125 31.823 -0.037 0.000 0.829 14 V HN 0.736 nan 8.190 nan 0.000 0.454 15 A N -0.098 122.710 122.820 -0.019 0.000 2.547 15 A HA 0.818 5.138 4.320 0.000 0.000 0.297 15 A C -1.261 176.318 177.584 -0.009 0.000 1.056 15 A CA -0.407 51.623 52.037 -0.011 0.000 0.688 15 A CB 2.255 21.252 19.000 -0.006 0.000 1.282 15 A HN 0.524 nan 8.150 nan 0.000 0.400 16 V N 2.758 122.668 119.914 -0.007 0.000 2.525 16 V HA 0.545 4.665 4.120 0.000 0.000 0.299 16 V C -0.784 175.308 176.094 -0.003 0.000 1.034 16 V CA -0.107 62.190 62.300 -0.005 0.000 0.863 16 V CB 1.253 33.072 31.823 -0.006 0.000 0.999 16 V HN 0.709 nan 8.190 nan 0.000 0.423 17 I N 4.084 124.653 120.570 -0.002 0.000 2.497 17 I HA 0.627 4.797 4.170 0.000 0.000 0.284 17 I C 1.026 177.142 176.117 -0.002 0.000 1.060 17 I CA -0.194 61.105 61.300 -0.002 0.000 1.071 17 I CB 1.574 39.573 38.000 -0.002 0.000 1.216 17 I HN 0.818 nan 8.210 nan 0.000 0.442 18 G N 4.736 113.535 108.800 -0.002 0.000 2.672 18 G HA2 -0.388 3.572 3.960 0.000 0.000 0.324 18 G HA3 -0.388 3.572 3.960 0.000 0.000 0.324 18 G C 0.979 175.878 174.900 -0.001 0.000 1.286 18 G CA 0.747 45.845 45.100 -0.002 0.000 1.004 18 G HN 0.896 nan 8.290 nan 0.000 0.548 19 A N -0.895 121.923 122.820 -0.002 0.000 2.209 19 A HA 0.501 4.821 4.320 0.000 0.000 0.212 19 A C 1.101 178.687 177.584 0.003 0.000 1.158 19 A CA 1.796 53.832 52.037 -0.001 0.000 0.742 19 A CB -0.070 18.927 19.000 -0.005 0.000 0.790 19 A HN 1.351 nan 8.150 nan 0.000 0.472 20 V N 0.928 120.844 119.914 0.002 0.000 2.370 20 V HA 0.421 4.541 4.120 0.000 0.000 0.279 20 V C -0.597 175.502 176.094 0.008 0.000 1.029 20 V CA -0.401 61.903 62.300 0.006 0.000 0.870 20 V CB 1.391 33.216 31.823 0.003 0.000 0.984 20 V HN 0.082 nan 8.190 nan 0.000 0.451 21 V N 3.868 123.790 119.914 0.013 0.000 2.588 21 V HA 0.501 4.621 4.120 0.000 0.000 0.304 21 V C -0.904 175.202 176.094 0.020 0.000 1.042 21 V CA -0.806 61.502 62.300 0.012 0.000 0.877 21 V CB 2.190 34.020 31.823 0.012 0.000 0.996 21 V HN 0.780 nan 8.190 nan 0.000 0.425 22 D N 2.931 123.338 120.400 0.012 0.000 2.193 22 D HA 0.626 5.266 4.640 0.000 0.000 0.244 22 D C -0.642 175.659 176.300 0.002 0.000 1.064 22 D CA -0.053 53.957 54.000 0.017 0.000 0.845 22 D CB 2.240 43.046 40.800 0.010 0.000 1.148 22 D HN 0.276 nan 8.370 nan 0.000 0.464 23 V N 2.361 122.287 119.914 0.019 0.000 2.531 23 V HA 0.292 4.412 4.120 0.000 0.000 0.301 23 V C -0.131 175.936 176.094 -0.045 0.000 1.034 23 V CA -0.903 61.371 62.300 -0.043 0.000 0.865 23 V CB 1.881 33.700 31.823 -0.007 0.000 0.995 23 V HN 0.394 nan 8.190 nan 0.000 0.424 24 Q N 2.931 122.637 119.800 -0.156 0.000 2.241 24 Q HA 0.630 4.970 4.340 0.000 0.000 0.254 24 Q C -1.805 174.027 176.000 -0.280 0.000 0.917 24 Q CA -0.404 55.336 55.803 -0.106 0.000 0.919 24 Q CB 1.296 29.987 28.738 -0.078 0.000 1.237 24 Q HN 0.629 nan 8.270 nan 0.000 0.434 25 F N 2.192 122.110 119.950 -0.054 0.000 2.482 25 F HA 0.232 4.759 4.527 0.000 0.000 0.331 25 F C 0.468 176.242 175.800 -0.043 0.000 1.115 25 F CA -0.666 57.305 58.000 -0.049 0.000 0.955 25 F CB 1.822 40.785 39.000 -0.062 0.000 1.136 25 F HN 0.643 nan 8.300 nan 0.000 0.452 26 D N 0.989 121.453 120.400 0.106 0.000 2.289 26 D HA -0.035 4.605 4.640 0.000 0.000 0.207 26 D C 1.158 177.498 176.300 0.068 0.000 0.966 26 D CA 1.022 55.056 54.000 0.058 0.000 0.868 26 D CB 0.455 41.266 40.800 0.019 0.000 0.943 26 D HN 0.539 nan 8.370 nan 0.000 0.514 27 E N -0.117 120.145 120.200 0.103 0.000 3.658 27 E HA 0.291 4.641 4.350 0.000 0.000 0.302 27 E C 1.015 177.639 176.600 0.041 0.000 0.845 27 E CA -0.269 56.169 56.400 0.063 0.000 1.239 27 E CB -0.828 28.905 29.700 0.055 0.000 2.708 27 E HN -0.041 nan 8.360 nan 0.000 0.533 28 G N 1.966 110.775 108.800 0.015 0.000 2.338 28 G HA2 0.410 4.370 3.960 0.000 0.000 0.295 28 G HA3 0.410 4.370 3.960 0.000 0.000 0.295 28 G C -0.509 174.281 174.900 -0.183 0.000 1.132 28 G CA -0.376 44.689 45.100 -0.057 0.000 0.922 28 G HN -0.064 nan 8.290 nan 0.000 0.427 29 L N 5.315 126.419 121.223 -0.199 0.000 2.410 29 L HA 0.287 4.627 4.340 0.000 0.000 0.273 29 L C -1.483 175.172 176.870 -0.358 0.000 1.144 29 L CA -1.390 53.228 54.840 -0.370 0.000 0.863 29 L CB 0.870 42.723 42.059 -0.343 0.000 1.140 29 L HN 0.353 nan 8.230 nan 0.000 0.463 30 P HA 0.214 nan 4.420 nan 0.000 0.271 30 P C -2.657 174.636 177.300 -0.012 0.000 1.220 30 P CA -1.399 61.524 63.100 -0.296 0.000 0.768 30 P CB 0.152 31.618 31.700 -0.390 0.000 0.848 31 P HA 0.100 nan 4.420 nan 0.000 0.269 31 P C 0.515 177.817 177.300 0.003 0.000 1.217 31 P CA -0.005 63.114 63.100 0.032 0.000 0.783 31 P CB 0.320 31.997 31.700 -0.038 0.000 0.898 32 I N 2.204 122.704 120.570 -0.117 0.000 2.880 32 I HA -0.170 4.000 4.170 0.000 0.000 0.296 32 I C 1.388 177.433 176.117 -0.121 0.000 1.220 32 I CA 0.738 61.964 61.300 -0.123 0.000 1.435 32 I CB -0.357 37.525 38.000 -0.198 0.000 1.339 32 I HN 0.460 nan 8.210 nan 0.000 0.583 33 L N 1.693 122.838 121.223 -0.129 0.000 5.060 33 L HA -0.269 4.071 4.340 0.000 0.000 0.408 33 L C 0.268 177.084 176.870 -0.090 0.000 0.917 33 L CA 0.133 54.853 54.840 -0.200 0.000 1.627 33 L CB -1.709 40.119 42.059 -0.385 0.000 1.732 33 L HN 0.697 nan 8.230 nan 0.000 0.611 34 N N 1.069 119.741 118.700 -0.047 0.000 2.441 34 N HA 0.467 5.207 4.740 0.000 0.000 0.251 34 N C 0.286 175.803 175.510 0.011 0.000 1.242 34 N CA 0.923 53.962 53.050 -0.018 0.000 0.898 34 N CB 0.761 39.227 38.487 -0.035 0.000 1.100 34 N HN 0.311 nan 8.380 nan 0.000 0.443 35 A N 2.296 125.130 122.820 0.023 0.000 2.301 35 A HA 0.569 4.889 4.320 0.000 0.000 0.298 35 A C -0.471 177.136 177.584 0.039 0.000 1.185 35 A CA -0.506 51.554 52.037 0.039 0.000 0.830 35 A CB 0.009 19.034 19.000 0.041 0.000 1.112 35 A HN 0.611 nan 8.150 nan 0.000 0.508 36 L N 2.095 123.353 121.223 0.059 0.000 2.346 36 L HA 0.513 4.853 4.340 0.000 0.000 0.274 36 L C -0.286 176.624 176.870 0.065 0.000 1.007 36 L CA -0.787 54.103 54.840 0.085 0.000 0.818 36 L CB 1.779 43.925 42.059 0.145 0.000 1.284 36 L HN 0.578 nan 8.230 nan 0.000 0.424 37 E N 2.590 122.826 120.200 0.061 0.000 2.133 37 E HA 0.309 4.659 4.350 0.000 0.000 0.274 37 E C -0.792 175.828 176.600 0.033 0.000 0.930 37 E CA -0.613 55.810 56.400 0.039 0.000 0.770 37 E CB 2.472 32.189 29.700 0.027 0.000 1.104 37 E HN 0.206 nan 8.360 nan 0.000 0.403 38 V N 4.121 124.049 119.914 0.023 0.000 2.508 38 V HA 0.003 4.123 4.120 0.000 0.000 0.281 38 V C 0.658 176.755 176.094 0.004 0.000 1.041 38 V CA -0.425 61.881 62.300 0.010 0.000 1.016 38 V CB 0.775 32.602 31.823 0.007 0.000 0.984 38 V HN 0.478 nan 8.190 nan 0.000 0.478 39 Q N 2.415 122.213 119.800 -0.004 0.000 2.312 39 Q HA 0.423 4.763 4.340 0.000 0.000 0.236 39 Q C 1.241 177.236 176.000 -0.008 0.000 0.965 39 Q CA 0.456 56.256 55.803 -0.006 0.000 0.894 39 Q CB 1.012 29.743 28.738 -0.011 0.000 1.225 39 Q HN 1.147 nan 8.270 nan 0.000 0.478 40 G N 1.336 110.132 108.800 -0.007 0.000 2.198 40 G HA2 -0.233 3.727 3.960 0.000 0.000 0.260 40 G HA3 -0.233 3.727 3.960 0.000 0.000 0.260 40 G C -0.081 174.816 174.900 -0.005 0.000 1.025 40 G CA 0.111 45.207 45.100 -0.007 0.000 0.769 40 G HN 0.291 nan 8.290 nan 0.000 0.507 41 R N -0.371 120.127 120.500 -0.002 0.000 2.668 41 R HA 0.485 4.825 4.340 0.000 0.000 0.279 41 R C 1.032 177.333 176.300 0.001 0.000 0.976 41 R CA -0.542 55.558 56.100 -0.000 0.000 0.978 41 R CB 1.141 31.442 30.300 0.002 0.000 1.133 41 R HN 0.377 nan 8.270 nan 0.000 0.484 42 E N 0.738 120.939 120.200 0.001 0.000 2.051 42 E HA -0.068 4.282 4.350 0.000 0.000 0.189 42 E C -0.100 176.502 176.600 0.003 0.000 0.979 42 E CA 1.062 57.463 56.400 0.002 0.000 0.803 42 E CB 0.346 30.047 29.700 0.001 0.000 0.761 42 E HN 0.650 nan 8.360 nan 0.000 0.451 43 T N -1.462 113.095 114.554 0.005 0.000 2.895 43 T HA 0.348 4.698 4.350 0.000 0.000 0.283 43 T C -0.096 174.609 174.700 0.008 0.000 1.014 43 T CA -0.917 61.187 62.100 0.007 0.000 1.037 43 T CB 1.822 70.694 68.868 0.007 0.000 1.006 43 T HN 0.032 nan 8.240 nan 0.000 0.468 44 R N 1.250 121.756 120.500 0.011 0.000 2.486 44 R HA 0.148 4.488 4.340 0.000 0.000 0.303 44 R C -0.876 175.433 176.300 0.015 0.000 0.958 44 R CA -0.351 55.757 56.100 0.013 0.000 1.077 44 R CB -0.249 30.061 30.300 0.016 0.000 0.921 44 R HN 0.574 nan 8.270 nan 0.000 0.406 45 L N 6.529 127.761 121.223 0.015 0.000 2.295 45 L HA 0.303 4.643 4.340 0.000 0.000 0.281 45 L C -1.128 175.755 176.870 0.023 0.000 1.018 45 L CA -0.457 54.393 54.840 0.017 0.000 0.841 45 L CB 1.671 43.737 42.059 0.013 0.000 1.218 45 L HN 0.309 nan 8.230 nan 0.000 0.424 46 V N 6.288 126.218 119.914 0.027 0.000 2.465 46 V HA 0.402 4.522 4.120 0.000 0.000 0.279 46 V C 0.206 176.323 176.094 0.038 0.000 1.045 46 V CA -0.496 61.825 62.300 0.035 0.000 0.938 46 V CB 1.417 33.263 31.823 0.038 0.000 0.986 46 V HN 0.570 nan 8.190 nan 0.000 0.467 47 L N 4.312 125.563 121.223 0.046 0.000 2.322 47 L HA 0.602 4.942 4.340 0.000 0.000 0.281 47 L C 0.016 176.920 176.870 0.057 0.000 1.014 47 L CA -0.339 54.531 54.840 0.051 0.000 0.815 47 L CB 1.781 43.875 42.059 0.057 0.000 1.247 47 L HN 0.653 nan 8.230 nan 0.000 0.421 48 E N 2.243 122.475 120.200 0.053 0.000 2.166 48 E HA 0.351 4.701 4.350 0.000 0.000 0.275 48 E C -1.096 175.528 176.600 0.040 0.000 0.941 48 E CA -0.802 55.628 56.400 0.051 0.000 0.784 48 E CB 1.974 31.714 29.700 0.067 0.000 1.115 48 E HN 0.325 nan 8.360 nan 0.000 0.399 49 V N 4.322 124.254 119.914 0.031 0.000 2.485 49 V HA 0.087 4.207 4.120 0.000 0.000 0.287 49 V C 0.887 176.988 176.094 0.012 0.000 1.022 49 V CA 0.843 63.168 62.300 0.040 0.000 1.067 49 V CB 0.676 32.530 31.823 0.052 0.000 0.967 49 V HN 0.891 nan 8.190 nan 0.000 0.479 50 A N 4.455 127.292 122.820 0.028 0.000 1.984 50 A HA 0.312 4.632 4.320 0.000 0.000 0.203 50 A C 0.732 178.319 177.584 0.005 0.000 1.292 50 A CA 0.282 52.322 52.037 0.004 0.000 0.782 50 A CB 0.328 19.333 19.000 0.009 0.000 0.924 50 A HN 0.761 nan 8.150 nan 0.000 0.475 51 Q N -0.918 118.914 119.800 0.053 0.000 2.416 51 Q HA 0.384 4.724 4.340 0.000 0.000 0.281 51 Q C -1.658 174.467 176.000 0.207 0.000 1.067 51 Q CA -0.537 55.306 55.803 0.067 0.000 0.809 51 Q CB 1.876 30.642 28.738 0.047 0.000 1.418 51 Q HN 0.621 nan 8.270 nan 0.000 0.411 52 H N 2.097 121.163 119.070 -0.006 0.000 2.705 52 H HA 0.208 4.764 4.556 0.000 0.000 0.291 52 H C 0.587 175.918 175.328 0.006 0.000 1.085 52 H CA -0.285 55.764 56.048 0.001 0.000 1.357 52 H CB 1.037 30.794 29.762 -0.009 0.000 1.419 52 H HN 0.449 nan 8.280 nan 0.000 0.462 53 L N 2.947 124.233 121.223 0.105 0.000 2.478 53 L HA 0.097 4.437 4.340 0.000 0.000 0.223 53 L C 1.188 178.086 176.870 0.046 0.000 1.140 53 L CA 0.564 55.440 54.840 0.061 0.000 0.842 53 L CB -0.137 41.947 42.059 0.041 0.000 0.953 53 L HN 0.921 nan 8.230 nan 0.000 0.452 54 G N 0.148 108.975 108.800 0.046 0.000 2.663 54 G HA2 -0.187 3.773 3.960 0.000 0.000 0.686 54 G HA3 -0.187 3.773 3.960 0.000 0.000 0.686 54 G C 0.026 174.933 174.900 0.012 0.000 1.288 54 G CA -0.395 44.721 45.100 0.028 0.000 0.836 54 G HN 0.320 nan 8.290 nan 0.000 0.584 55 E N -0.915 119.290 120.200 0.008 0.000 2.389 55 E HA -0.196 4.154 4.350 0.000 0.000 0.243 55 E C 1.004 177.605 176.600 0.001 0.000 1.154 55 E CA 1.140 57.542 56.400 0.004 0.000 0.723 55 E CB -1.452 28.250 29.700 0.005 0.000 1.261 55 E HN 1.992 nan 8.360 nan 0.000 0.390 56 S N -1.707 113.988 115.700 -0.008 0.000 3.521 56 S HA -0.201 4.269 4.470 0.000 0.000 0.328 56 S C 0.031 174.643 174.600 0.019 0.000 1.165 56 S CA 1.485 59.683 58.200 -0.005 0.000 0.941 56 S CB -0.781 62.431 63.200 0.021 0.000 0.951 56 S HN 0.448 nan 8.310 nan 0.000 0.539 57 T N 1.448 116.001 114.554 -0.000 0.000 2.807 57 T HA 0.616 4.966 4.350 0.000 0.000 0.279 57 T C 0.186 174.894 174.700 0.014 0.000 0.993 57 T CA -0.350 61.765 62.100 0.026 0.000 0.970 57 T CB 1.803 70.681 68.868 0.016 0.000 0.950 57 T HN 0.454 nan 8.240 nan 0.000 0.441 58 V N 1.488 121.439 119.914 0.061 0.000 2.630 58 V HA 0.755 4.875 4.120 0.000 0.000 0.305 58 V C -0.161 175.984 176.094 0.085 0.000 1.046 58 V CA -1.364 60.980 62.300 0.072 0.000 0.934 58 V CB 1.596 33.468 31.823 0.082 0.000 1.003 58 V HN 0.846 nan 8.190 nan 0.000 0.451 59 R N 2.256 122.807 120.500 0.084 0.000 2.346 59 R HA 0.710 5.050 4.340 0.000 0.000 0.311 59 R C -0.091 176.246 176.300 0.061 0.000 0.983 59 R CA 0.296 56.432 56.100 0.061 0.000 0.880 59 R CB 1.424 31.751 30.300 0.045 0.000 1.100 59 R HN 1.169 nan 8.270 nan 0.000 0.453 60 T N 2.028 116.612 114.554 0.051 0.000 2.916 60 T HA 0.547 4.897 4.350 0.000 0.000 0.292 60 T C 0.114 174.833 174.700 0.031 0.000 1.064 60 T CA -1.033 61.096 62.100 0.047 0.000 1.011 60 T CB 1.117 70.021 68.868 0.060 0.000 1.152 60 T HN 0.590 nan 8.240 nan 0.000 0.510 61 I N -0.005 120.582 120.570 0.028 0.000 2.404 61 I HA 0.829 4.999 4.170 0.000 0.000 0.293 61 I C 0.177 176.309 176.117 0.026 0.000 0.992 61 I CA -1.412 59.900 61.300 0.020 0.000 1.149 61 I CB 1.273 39.279 38.000 0.011 0.000 1.315 61 I HN 0.889 nan 8.210 nan 0.000 0.446 62 A N 6.707 129.539 122.820 0.020 0.000 2.371 62 A HA 0.489 4.809 4.320 0.000 0.000 0.257 62 A C 0.731 178.328 177.584 0.022 0.000 1.089 62 A CA -0.527 51.523 52.037 0.022 0.000 0.794 62 A CB 0.651 19.660 19.000 0.016 0.000 1.029 62 A HN 0.892 nan 8.150 nan 0.000 0.488 63 M N 0.564 120.179 119.600 0.026 0.000 2.428 63 M HA 0.191 4.671 4.480 0.000 0.000 0.239 63 M C -0.148 176.165 176.300 0.022 0.000 1.121 63 M CA 0.603 55.919 55.300 0.026 0.000 1.019 63 M CB -0.881 31.738 32.600 0.033 0.000 1.485 63 M HN 0.814 nan 8.290 nan 0.000 0.484 64 D N -1.205 119.206 120.400 0.018 0.000 2.759 64 D HA 0.442 5.082 4.640 0.000 0.000 0.321 64 D C -0.531 175.775 176.300 0.011 0.000 1.267 64 D CA -0.199 53.809 54.000 0.014 0.000 0.933 64 D CB 1.141 41.950 40.800 0.015 0.000 1.431 64 D HN 0.104 nan 8.370 nan 0.000 0.504 65 G N -0.847 107.958 108.800 0.009 0.000 2.484 65 G HA2 0.322 4.282 3.960 0.000 0.000 0.235 65 G HA3 0.322 4.282 3.960 0.000 0.000 0.235 65 G C 0.878 175.781 174.900 0.005 0.000 1.282 65 G CA 0.669 45.773 45.100 0.006 0.000 0.857 65 G HN 0.409 nan 8.290 nan 0.000 0.571 66 T N -1.311 113.245 114.554 0.003 0.000 3.069 66 T HA 0.125 4.475 4.350 0.000 0.000 0.252 66 T C 0.827 175.527 174.700 -0.000 0.000 1.053 66 T CA 0.139 62.240 62.100 0.002 0.000 0.964 66 T CB 0.016 68.885 68.868 0.002 0.000 1.005 66 T HN 0.661 nan 8.240 nan 0.000 0.532 67 E N 2.025 122.225 120.200 0.000 0.000 2.442 67 E HA 0.249 4.599 4.350 0.000 0.000 0.262 67 E C 1.208 177.807 176.600 -0.002 0.000 1.004 67 E CA 0.810 57.209 56.400 -0.001 0.000 0.928 67 E CB 0.028 29.728 29.700 -0.000 0.000 0.937 67 E HN 0.482 nan 8.360 nan 0.000 0.446 68 G N 2.755 111.553 108.800 -0.003 0.000 2.225 68 G HA2 -0.274 3.686 3.960 0.000 0.000 0.254 68 G HA3 -0.274 3.686 3.960 0.000 0.000 0.254 68 G C 0.381 175.278 174.900 -0.006 0.000 0.988 68 G CA 0.230 45.327 45.100 -0.004 0.000 0.625 68 G HN 0.492 nan 8.290 nan 0.000 0.527 69 L N 0.878 122.097 121.223 -0.007 0.000 2.456 69 L HA 0.506 4.846 4.340 0.000 0.000 0.272 69 L C 0.482 177.345 176.870 -0.012 0.000 1.189 69 L CA -0.304 54.530 54.840 -0.010 0.000 0.846 69 L CB 1.250 43.304 42.059 -0.009 0.000 1.111 69 L HN -0.002 nan 8.230 nan 0.000 0.475 70 V N 3.236 123.140 119.914 -0.017 0.000 2.588 70 V HA 0.349 4.469 4.120 0.000 0.000 0.304 70 V C 0.016 176.095 176.094 -0.025 0.000 1.042 70 V CA -0.898 61.391 62.300 -0.018 0.000 0.877 70 V CB 1.957 33.769 31.823 -0.018 0.000 0.996 70 V HN 0.679 nan 8.190 nan 0.000 0.425 71 R N 2.679 123.165 120.500 -0.024 0.000 2.458 71 R HA 0.417 4.757 4.340 0.000 0.000 0.303 71 R C 1.263 177.542 176.300 -0.035 0.000 1.013 71 R CA 1.007 57.089 56.100 -0.030 0.000 1.026 71 R CB 0.087 30.372 30.300 -0.025 0.000 0.948 71 R HN 1.200 nan 8.270 nan 0.000 0.417 72 G N 1.848 110.620 108.800 -0.048 0.000 2.201 72 G HA2 -0.292 3.668 3.960 0.000 0.000 0.212 72 G HA3 -0.292 3.668 3.960 0.000 0.000 0.212 72 G C 0.154 175.019 174.900 -0.058 0.000 0.994 72 G CA -0.234 44.834 45.100 -0.054 0.000 0.644 72 G HN 0.581 nan 8.290 nan 0.000 0.508 73 Q N 1.145 120.913 119.800 -0.053 0.000 2.364 73 Q HA 0.482 4.822 4.340 0.000 0.000 0.267 73 Q C 0.388 176.347 176.000 -0.069 0.000 0.999 73 Q CA 0.157 55.930 55.803 -0.049 0.000 0.886 73 Q CB 0.353 29.069 28.738 -0.037 0.000 1.243 73 Q HN 0.423 nan 8.270 nan 0.000 0.415 74 K N 1.577 121.940 120.400 -0.062 0.000 2.185 74 K HA 0.442 4.762 4.320 0.000 0.000 0.271 74 K C -1.195 175.365 176.600 -0.066 0.000 1.013 74 K CA -0.510 55.731 56.287 -0.077 0.000 0.943 74 K CB 1.316 33.782 32.500 -0.056 0.000 0.998 74 K HN 0.329 nan 8.250 nan 0.000 0.468 75 V N 3.848 123.709 119.914 -0.089 0.000 2.668 75 V HA 0.312 4.432 4.120 0.000 0.000 0.304 75 V C -0.818 175.296 176.094 0.034 0.000 1.071 75 V CA -0.899 61.380 62.300 -0.035 0.000 0.894 75 V CB 1.597 33.386 31.823 -0.056 0.000 1.008 75 V HN 0.589 nan 8.190 nan 0.000 0.425 76 L N 2.942 124.218 121.223 0.088 0.000 2.317 76 L HA 0.575 4.915 4.340 0.000 0.000 0.281 76 L C -0.260 176.709 176.870 0.165 0.000 1.024 76 L CA -0.577 54.341 54.840 0.130 0.000 0.810 76 L CB 1.715 43.813 42.059 0.066 0.000 1.240 76 L HN 0.585 nan 8.230 nan 0.000 0.427 77 D N 0.888 121.398 120.400 0.184 0.000 2.343 77 D HA 0.028 4.668 4.640 0.000 0.000 0.255 77 D C 1.091 177.407 176.300 0.027 0.000 1.187 77 D CA -0.013 54.027 54.000 0.066 0.000 0.875 77 D CB 1.474 42.241 40.800 -0.054 0.000 1.136 77 D HN 0.556 nan 8.370 nan 0.000 0.469 78 S N 2.784 118.492 115.700 0.014 0.000 2.453 78 S HA 0.091 4.561 4.470 0.000 0.000 0.231 78 S C 1.693 176.282 174.600 -0.018 0.000 1.005 78 S CA 0.724 58.923 58.200 -0.003 0.000 0.949 78 S CB -0.135 63.063 63.200 -0.003 0.000 0.774 78 S HN 0.911 nan 8.310 nan 0.000 0.510 79 G N 0.221 109.006 108.800 -0.025 0.000 2.176 79 G HA2 0.127 4.087 3.960 0.000 0.000 0.232 79 G HA3 0.127 4.087 3.960 0.000 0.000 0.232 79 G C 0.111 174.995 174.900 -0.027 0.000 0.986 79 G CA -0.174 44.907 45.100 -0.032 0.000 0.643 79 G HN 1.540 nan 8.290 nan 0.000 0.522 80 A N -0.733 122.076 122.820 -0.018 0.000 2.609 80 A HA 0.934 5.254 4.320 0.000 0.000 0.291 80 A C -2.894 174.695 177.584 0.009 0.000 1.096 80 A CA -0.842 51.191 52.037 -0.006 0.000 0.684 80 A CB 1.234 20.231 19.000 -0.005 0.000 1.282 80 A HN 0.076 nan 8.150 nan 0.000 0.412 81 P HA 0.270 nan 4.420 nan 0.000 0.274 81 P C -0.344 177.005 177.300 0.081 0.000 1.264 81 P CA -0.218 62.924 63.100 0.070 0.000 0.795 81 P CB 0.208 31.983 31.700 0.126 0.000 1.064 82 I N 0.694 121.332 120.570 0.113 0.000 2.741 82 I HA -0.047 4.123 4.170 0.000 0.000 0.288 82 I C 1.143 177.307 176.117 0.077 0.000 1.192 82 I CA 0.864 62.214 61.300 0.083 0.000 1.426 82 I CB -0.178 37.871 38.000 0.082 0.000 1.367 82 I HN 0.115 nan 8.210 nan 0.000 0.563 83 R N 7.348 127.894 120.500 0.076 0.000 2.562 83 R HA 0.746 5.086 4.340 0.000 0.000 0.298 83 R C -0.734 175.686 176.300 0.201 0.000 0.961 83 R CA -0.827 55.344 56.100 0.118 0.000 0.881 83 R CB 2.137 32.494 30.300 0.094 0.000 1.159 83 R HN 0.599 nan 8.270 nan 0.000 0.450 84 I N -1.397 119.290 120.570 0.196 0.000 2.934 84 I HA 0.623 4.793 4.170 0.000 0.000 0.306 84 I C -2.729 173.326 176.117 -0.104 0.000 1.110 84 I CA -3.374 57.998 61.300 0.121 0.000 1.019 84 I CB 2.491 40.491 38.000 0.001 0.000 1.227 84 I HN 0.299 nan 8.210 nan 0.000 0.434 85 P HA 0.196 nan 4.420 nan 0.000 0.271 85 P C -0.695 176.301 177.300 -0.508 0.000 1.220 85 P CA -0.141 62.509 63.100 -0.750 0.000 0.768 85 P CB 0.911 32.267 31.700 -0.573 0.000 0.848 86 V N 0.521 120.064 119.914 -0.619 0.000 3.001 86 V HA 1.030 5.151 4.120 0.000 0.000 0.314 86 V C 0.070 175.545 176.094 -1.033 0.000 1.099 86 V CA -0.261 61.586 62.300 -0.755 0.000 0.989 86 V CB 1.425 32.815 31.823 -0.722 0.000 1.040 86 V HN 0.928 nan 8.190 nan 0.000 0.434 87 G N 2.515 110.581 108.800 -1.224 0.000 2.371 87 G HA2 0.106 4.066 3.960 0.000 0.000 0.663 87 G HA3 0.106 4.066 3.960 0.000 0.000 0.663 87 G C -2.398 172.393 174.900 -0.182 0.000 1.311 87 G CA -0.063 44.556 45.100 -0.800 0.000 0.985 87 G HN 0.711 nan 8.290 nan 0.000 0.566 88 P HA -0.046 nan 4.420 nan 0.000 0.221 88 P C 1.163 178.460 177.300 -0.004 0.000 1.145 88 P CA 1.485 64.643 63.100 0.098 0.000 0.795 88 P CB 0.081 31.841 31.700 0.101 0.000 0.775 89 E N -0.222 119.942 120.200 -0.060 0.000 2.409 89 E HA -0.080 4.270 4.350 0.000 0.000 0.198 89 E C 1.760 178.316 176.600 -0.072 0.000 1.024 89 E CA 1.418 57.775 56.400 -0.071 0.000 0.861 89 E CB -1.137 28.504 29.700 -0.098 0.000 0.788 89 E HN 0.459 nan 8.360 nan 0.000 0.521 90 T N -1.336 113.172 114.554 -0.077 0.000 3.085 90 T HA 0.058 4.408 4.350 0.000 0.000 0.263 90 T C 1.147 175.860 174.700 0.022 0.000 1.127 90 T CA -0.054 62.020 62.100 -0.044 0.000 1.103 90 T CB -0.198 68.623 68.868 -0.079 0.000 0.921 90 T HN -0.035 nan 8.240 nan 0.000 0.510 91 L N 1.845 123.077 121.223 0.015 0.000 2.410 91 L HA 0.487 4.827 4.340 0.000 0.000 0.273 91 L C 1.660 178.531 176.870 0.001 0.000 1.144 91 L CA 0.704 55.531 54.840 -0.022 0.000 0.863 91 L CB 0.341 42.307 42.059 -0.154 0.000 1.140 91 L HN 0.510 nan 8.230 nan 0.000 0.463 92 G N 1.842 110.662 108.800 0.033 0.000 2.205 92 G HA2 -0.217 3.743 3.960 0.000 0.000 0.261 92 G HA3 -0.217 3.743 3.960 0.000 0.000 0.261 92 G C 0.376 175.339 174.900 0.105 0.000 0.980 92 G CA -0.374 44.763 45.100 0.063 0.000 0.632 92 G HN 0.453 nan 8.290 nan 0.000 0.533 93 R N 0.036 120.580 120.500 0.073 0.000 2.573 93 R HA 0.726 5.066 4.340 0.000 0.000 0.272 93 R C 0.439 176.770 176.300 0.052 0.000 1.009 93 R CA -0.931 55.202 56.100 0.055 0.000 1.059 93 R CB 0.659 30.968 30.300 0.015 0.000 1.112 93 R HN 0.342 nan 8.270 nan 0.000 0.517 94 I N 2.310 122.877 120.570 -0.006 0.000 2.354 94 I HA 0.389 4.559 4.170 0.000 0.000 0.292 94 I C 0.297 176.416 176.117 0.004 0.000 0.989 94 I CA -0.330 60.965 61.300 -0.007 0.000 1.188 94 I CB 1.292 39.203 38.000 -0.148 0.000 1.342 94 I HN 0.213 nan 8.210 nan 0.000 0.457 95 M N 5.431 125.055 119.600 0.040 0.000 2.644 95 M HA 0.379 4.859 4.480 0.000 0.000 0.316 95 M C -0.358 175.971 176.300 0.048 0.000 1.200 95 M CA -0.731 54.584 55.300 0.024 0.000 0.944 95 M CB 2.183 34.784 32.600 0.002 0.000 1.691 95 M HN 0.653 nan 8.290 nan 0.000 0.471 96 N N 0.350 119.070 118.700 0.034 0.000 2.604 96 N HA 0.320 5.060 4.740 0.000 0.000 0.297 96 N C 0.542 176.068 175.510 0.027 0.000 1.266 96 N CA -0.789 52.287 53.050 0.042 0.000 0.961 96 N CB -0.114 38.394 38.487 0.035 0.000 1.166 96 N HN 0.422 nan 8.380 nan 0.000 0.601 97 V N -0.763 119.168 119.914 0.028 0.000 2.317 97 V HA -0.252 3.868 4.120 0.000 0.000 0.251 97 V C 1.835 177.939 176.094 0.017 0.000 1.065 97 V CA 2.297 64.607 62.300 0.018 0.000 1.049 97 V CB -1.371 30.466 31.823 0.024 0.000 0.651 97 V HN 0.789 nan 8.190 nan 0.000 0.450 98 I N -1.454 119.132 120.570 0.027 0.000 3.861 98 I HA 0.650 4.820 4.170 0.000 0.000 0.329 98 I C 1.331 177.475 176.117 0.045 0.000 1.321 98 I CA 0.506 61.828 61.300 0.036 0.000 1.126 98 I CB -0.283 37.740 38.000 0.039 0.000 1.018 98 I HN 0.357 nan 8.210 nan 0.000 0.407 99 G N 1.285 110.102 108.800 0.029 0.000 2.147 99 G HA2 -0.264 3.696 3.960 0.000 0.000 0.244 99 G HA3 -0.264 3.696 3.960 0.000 0.000 0.244 99 G C -0.155 174.763 174.900 0.030 0.000 1.005 99 G CA 0.118 45.230 45.100 0.021 0.000 0.713 99 G HN 0.679 nan 8.290 nan 0.000 0.515 100 E N 1.407 121.626 120.200 0.031 0.000 2.331 100 E HA 0.379 4.729 4.350 0.000 0.000 0.272 100 E C -2.131 174.475 176.600 0.010 0.000 1.036 100 E CA -1.823 54.593 56.400 0.027 0.000 0.864 100 E CB 1.197 30.912 29.700 0.025 0.000 1.035 100 E HN 0.207 nan 8.360 nan 0.000 0.408 101 P HA 0.016 nan 4.420 nan 0.000 0.271 101 P C 0.037 177.328 177.300 -0.015 0.000 1.216 101 P CA 0.399 63.495 63.100 -0.008 0.000 0.771 101 P CB 0.338 32.034 31.700 -0.007 0.000 0.864 102 I N -0.834 119.716 120.570 -0.034 0.000 3.817 102 I HA 0.261 4.431 4.170 0.000 0.000 0.325 102 I C 0.069 176.125 176.117 -0.101 0.000 1.550 102 I CA -0.326 60.943 61.300 -0.052 0.000 1.100 102 I CB 0.084 38.058 38.000 -0.043 0.000 1.216 102 I HN 0.015 nan 8.210 nan 0.000 0.481 103 D N 0.332 120.674 120.400 -0.097 0.000 2.363 103 D HA 0.035 4.675 4.640 0.000 0.000 0.214 103 D C 0.464 176.742 176.300 -0.037 0.000 1.093 103 D CA -0.148 53.778 54.000 -0.124 0.000 0.837 103 D CB -0.088 40.635 40.800 -0.129 0.000 0.948 103 D HN 0.471 nan 8.370 nan 0.000 0.507 104 E N -0.405 119.781 120.200 -0.023 0.000 2.791 104 E HA -0.256 4.094 4.350 0.000 0.000 0.271 104 E C 0.367 176.974 176.600 0.012 0.000 1.044 104 E CA 0.303 56.703 56.400 -0.001 0.000 0.814 104 E CB -1.038 28.666 29.700 0.005 0.000 1.400 104 E HN 0.388 nan 8.360 nan 0.000 0.423 105 R N -0.270 120.237 120.500 0.012 0.000 2.509 105 R HA 0.285 4.625 4.340 0.000 0.000 0.300 105 R C 0.818 177.126 176.300 0.014 0.000 0.985 105 R CA 0.335 56.447 56.100 0.020 0.000 1.092 105 R CB 1.253 31.573 30.300 0.032 0.000 1.237 105 R HN 0.293 nan 8.270 nan 0.000 0.546 106 G N 1.912 110.718 108.800 0.010 0.000 2.698 106 G HA2 -0.208 3.752 3.960 0.000 0.000 0.225 106 G HA3 -0.208 3.752 3.960 0.000 0.000 0.225 106 G C -2.561 172.344 174.900 0.009 0.000 1.345 106 G CA -1.282 43.824 45.100 0.010 0.000 0.871 106 G HN -0.003 nan 8.290 nan 0.000 0.540 107 P HA 0.366 nan 4.420 nan 0.000 0.267 107 P C 0.095 177.396 177.300 0.001 0.000 1.201 107 P CA 0.017 63.126 63.100 0.015 0.000 0.775 107 P CB 0.298 32.012 31.700 0.023 0.000 0.854 108 I N 2.946 123.511 120.570 -0.009 0.000 2.306 108 I HA 0.135 4.305 4.170 0.000 0.000 0.288 108 I C 0.929 177.009 176.117 -0.062 0.000 1.036 108 I CA -0.454 60.816 61.300 -0.050 0.000 1.221 108 I CB 0.633 38.581 38.000 -0.088 0.000 1.385 108 I HN 0.017 nan 8.210 nan 0.000 0.472 109 K N 5.494 125.865 120.400 -0.049 0.000 3.006 109 K HA 0.146 4.466 4.320 0.000 0.000 0.262 109 K C 0.409 176.968 176.600 -0.070 0.000 1.289 109 K CA -0.166 56.102 56.287 -0.031 0.000 1.245 109 K CB -0.412 32.083 32.500 -0.008 0.000 1.614 109 K HN 0.639 nan 8.250 nan 0.000 0.322 110 T N -2.128 112.331 114.554 -0.159 0.000 2.913 110 T HA 0.207 4.557 4.350 0.000 0.000 0.297 110 T C 1.152 175.784 174.700 -0.113 0.000 1.029 110 T CA -0.510 61.456 62.100 -0.223 0.000 1.104 110 T CB 1.298 69.885 68.868 -0.468 0.000 0.964 110 T HN 0.014 nan 8.240 nan 0.000 0.532 111 K N 0.777 121.130 120.400 -0.079 0.000 2.288 111 K HA 0.043 4.363 4.320 0.000 0.000 0.201 111 K C 1.098 177.723 176.600 0.042 0.000 1.048 111 K CA 0.883 57.173 56.287 0.005 0.000 0.956 111 K CB 0.036 32.545 32.500 0.016 0.000 0.746 111 K HN 0.793 nan 8.250 nan 0.000 0.461 112 Q N -0.469 119.292 119.800 -0.065 0.000 2.379 112 Q HA 0.332 4.672 4.340 0.000 0.000 0.278 112 Q C -1.152 174.741 176.000 -0.177 0.000 1.068 112 Q CA -0.649 55.160 55.803 0.009 0.000 0.816 112 Q CB 1.043 29.790 28.738 0.015 0.000 1.387 112 Q HN -0.105 nan 8.270 nan 0.000 0.413 113 F N 0.257 120.157 119.950 -0.083 0.000 2.575 113 F HA 0.907 5.434 4.527 -0.000 0.000 0.330 113 F C -0.088 175.675 175.800 -0.062 0.000 1.056 113 F CA -0.531 57.418 58.000 -0.085 0.000 0.964 113 F CB 2.375 41.343 39.000 -0.054 0.000 1.258 113 F HN 0.842 nan 8.300 nan 0.000 0.484 114 A N 0.556 123.443 122.820 0.112 0.000 2.515 114 A HA 0.816 5.136 4.320 0.000 0.000 0.298 114 A C -1.314 176.309 177.584 0.065 0.000 1.059 114 A CA -0.728 51.349 52.037 0.067 0.000 0.698 114 A CB 0.989 19.999 19.000 0.017 0.000 1.289 114 A HN 1.028 nan 8.150 nan 0.000 0.404 115 A N 1.351 124.207 122.820 0.060 0.000 2.450 115 A HA 0.472 4.792 4.320 0.000 0.000 0.255 115 A C 1.116 178.715 177.584 0.025 0.000 1.096 115 A CA 0.146 52.220 52.037 0.061 0.000 0.778 115 A CB -0.454 18.592 19.000 0.076 0.000 1.031 115 A HN 1.704 nan 8.150 nan 0.000 0.494 116 I N -0.296 120.269 120.570 -0.008 0.000 2.916 116 I HA -0.017 4.153 4.170 0.000 0.000 0.267 116 I C 0.133 176.103 176.117 -0.244 0.000 1.263 116 I CA 0.571 61.796 61.300 -0.125 0.000 1.471 116 I CB -0.378 37.523 38.000 -0.164 0.000 1.089 116 I HN 0.505 nan 8.210 nan 0.000 0.468 117 H N 2.423 121.498 119.070 0.008 0.000 2.517 117 H HA 0.782 5.338 4.556 0.000 0.000 0.317 117 H C -0.404 174.925 175.328 0.003 0.000 1.080 117 H CA -0.129 55.923 56.048 0.006 0.000 1.301 117 H CB 1.624 31.392 29.762 0.010 0.000 1.425 117 H HN 0.411 nan 8.280 nan 0.000 0.471 118 A N 3.184 126.057 122.820 0.089 0.000 2.609 118 A HA 0.359 4.679 4.320 0.000 0.000 0.291 118 A C -0.581 177.027 177.584 0.041 0.000 1.096 118 A CA -0.948 51.120 52.037 0.052 0.000 0.684 118 A CB 1.661 20.674 19.000 0.022 0.000 1.282 118 A HN 0.560 nan 8.150 nan 0.000 0.412 119 E N 0.737 120.956 120.200 0.031 0.000 2.366 119 E HA 0.458 4.808 4.350 0.000 0.000 0.266 119 E C 0.424 177.033 176.600 0.016 0.000 1.051 119 E CA 0.096 56.511 56.400 0.025 0.000 0.884 119 E CB 1.358 31.072 29.700 0.022 0.000 1.006 119 E HN 0.806 nan 8.360 nan 0.000 0.417 120 A N 4.192 127.022 122.820 0.017 0.000 2.407 120 A HA 0.343 4.663 4.320 0.000 0.000 0.248 120 A C -2.034 175.561 177.584 0.018 0.000 1.082 120 A CA -1.109 50.935 52.037 0.012 0.000 0.785 120 A CB -0.445 18.566 19.000 0.018 0.000 1.020 120 A HN 0.318 nan 8.150 nan 0.000 0.489 121 P HA 0.073 nan 4.420 nan 0.000 0.265 121 P C -0.150 177.171 177.300 0.033 0.000 1.187 121 P CA 0.203 63.310 63.100 0.012 0.000 0.766 121 P CB 0.402 32.101 31.700 -0.002 0.000 0.820 122 E N 1.601 121.824 120.200 0.038 0.000 2.392 122 E HA -0.000 4.350 4.350 0.000 0.000 0.259 122 E C 0.856 177.516 176.600 0.100 0.000 1.108 122 E CA -0.281 56.165 56.400 0.076 0.000 0.916 122 E CB 0.112 29.853 29.700 0.068 0.000 0.989 122 E HN 0.403 nan 8.360 nan 0.000 0.432 123 F N 2.241 122.192 119.950 0.001 0.000 2.120 123 F HA -0.258 4.269 4.527 0.000 0.000 0.300 123 F C 1.878 177.678 175.800 -0.001 0.000 1.095 123 F CA 1.980 59.980 58.000 0.000 0.000 1.249 123 F CB -0.267 38.734 39.000 0.001 0.000 0.995 123 F HN 0.286 nan 8.300 nan 0.000 0.480 124 V N -2.134 117.766 119.914 -0.023 0.000 3.078 124 V HA -0.151 3.969 4.120 0.000 0.000 0.265 124 V C 1.522 177.530 176.094 -0.142 0.000 1.122 124 V CA 1.915 64.142 62.300 -0.122 0.000 1.141 124 V CB -0.981 30.842 31.823 0.000 0.000 0.735 124 V HN 0.465 nan 8.190 nan 0.000 0.498 125 E N -0.076 120.059 120.200 -0.108 0.000 2.474 125 E HA 0.189 4.539 4.350 0.000 0.000 0.194 125 E C 0.618 177.151 176.600 -0.113 0.000 1.041 125 E CA -0.240 56.109 56.400 -0.084 0.000 0.874 125 E CB 0.068 29.743 29.700 -0.041 0.000 0.914 125 E HN 0.481 nan 8.360 nan 0.000 0.498 126 M N 0.808 120.296 119.600 -0.188 0.000 2.243 126 M HA 0.113 4.593 4.480 0.000 0.000 0.341 126 M C 0.402 176.609 176.300 -0.155 0.000 1.130 126 M CA 0.210 55.405 55.300 -0.176 0.000 1.162 126 M CB 1.115 33.566 32.600 -0.248 0.000 1.497 126 M HN -0.159 nan 8.290 nan 0.000 0.456 127 S N 0.912 116.550 115.700 -0.103 0.000 2.537 127 S HA 0.630 5.100 4.470 0.000 0.000 0.301 127 S C 0.431 174.992 174.600 -0.066 0.000 1.092 127 S CA -0.800 57.352 58.200 -0.080 0.000 1.048 127 S CB 1.159 64.326 63.200 -0.055 0.000 1.053 127 S HN 0.571 nan 8.310 nan 0.000 0.501 128 V N 0.414 120.295 119.914 -0.055 0.000 3.477 128 V HA 0.496 4.616 4.120 0.000 0.000 0.297 128 V C 0.366 176.447 176.094 -0.022 0.000 1.433 128 V CA -0.287 61.991 62.300 -0.037 0.000 1.052 128 V CB -0.258 31.543 31.823 -0.037 0.000 0.895 128 V HN 0.702 nan 8.190 nan 0.000 0.438 129 E N 3.477 123.663 120.200 -0.023 0.000 2.465 129 E HA 0.227 4.577 4.350 0.000 0.000 0.260 129 E C -0.311 176.285 176.600 -0.006 0.000 0.980 129 E CA 0.646 57.038 56.400 -0.014 0.000 0.927 129 E CB 0.679 30.370 29.700 -0.015 0.000 0.934 129 E HN 0.895 nan 8.360 nan 0.000 0.459 130 Q N 1.416 121.217 119.800 0.001 0.000 2.334 130 Q HA 0.412 4.752 4.340 0.000 0.000 0.249 130 Q C -0.953 175.057 176.000 0.017 0.000 0.909 130 Q CA -0.739 55.071 55.803 0.010 0.000 0.823 130 Q CB 1.412 30.158 28.738 0.013 0.000 1.353 130 Q HN 0.468 nan 8.270 nan 0.000 0.433 131 E N 2.696 122.911 120.200 0.025 0.000 2.317 131 E HA 0.540 4.890 4.350 0.000 0.000 0.270 131 E C -0.942 175.687 176.600 0.047 0.000 0.885 131 E CA -1.129 55.290 56.400 0.032 0.000 0.760 131 E CB 2.249 31.965 29.700 0.027 0.000 1.227 131 E HN 0.660 nan 8.360 nan 0.000 0.434 132 I N 2.546 123.150 120.570 0.056 0.000 2.845 132 I HA -0.075 4.095 4.170 0.000 0.000 0.296 132 I C -0.777 175.385 176.117 0.076 0.000 1.216 132 I CA -0.085 61.259 61.300 0.074 0.000 1.438 132 I CB 0.397 38.449 38.000 0.086 0.000 1.342 132 I HN 0.561 nan 8.210 nan 0.000 0.577 133 L N 9.162 130.442 121.223 0.095 0.000 2.295 133 L HA 0.413 4.753 4.340 0.000 0.000 0.281 133 L C -0.755 176.162 176.870 0.079 0.000 1.018 133 L CA -0.348 54.550 54.840 0.096 0.000 0.841 133 L CB 1.145 43.279 42.059 0.124 0.000 1.218 133 L HN 0.319 nan 8.230 nan 0.000 0.424 134 V N 4.329 124.278 119.914 0.058 0.000 2.555 134 V HA 0.218 4.338 4.120 0.000 0.000 0.286 134 V C 1.462 177.568 176.094 0.020 0.000 1.044 134 V CA 0.575 62.894 62.300 0.030 0.000 1.026 134 V CB 0.891 32.734 31.823 0.033 0.000 0.981 134 V HN 0.932 nan 8.190 nan 0.000 0.480 135 T N -0.301 114.240 114.554 -0.022 0.000 2.990 135 T HA 0.274 4.624 4.350 0.000 0.000 0.250 135 T C 1.441 176.128 174.700 -0.022 0.000 1.041 135 T CA 0.744 62.829 62.100 -0.024 0.000 1.010 135 T CB 0.456 69.269 68.868 -0.091 0.000 1.003 135 T HN 1.542 nan 8.240 nan 0.000 0.499 136 G N 1.613 110.405 108.800 -0.014 0.000 2.162 136 G HA2 -0.208 3.752 3.960 0.000 0.000 0.260 136 G HA3 -0.208 3.752 3.960 0.000 0.000 0.260 136 G C -0.011 174.898 174.900 0.014 0.000 0.976 136 G CA 0.252 45.352 45.100 0.000 0.000 0.655 136 G HN 0.667 nan 8.290 nan 0.000 0.533 137 I N 0.616 121.189 120.570 0.005 0.000 2.330 137 I HA 0.273 4.443 4.170 0.000 0.000 0.289 137 I C 1.517 177.645 176.117 0.019 0.000 1.001 137 I CA -0.840 60.499 61.300 0.066 0.000 1.193 137 I CB 1.405 39.460 38.000 0.092 0.000 1.345 137 I HN -0.024 nan 8.210 nan 0.000 0.461 138 K N 3.638 124.054 120.400 0.025 0.000 2.009 138 K HA -0.165 4.155 4.320 0.000 0.000 0.210 138 K C 1.821 178.389 176.600 -0.054 0.000 1.049 138 K CA 1.285 57.574 56.287 0.004 0.000 0.929 138 K CB -0.077 32.430 32.500 0.012 0.000 0.714 138 K HN 0.561 nan 8.250 nan 0.000 0.440 139 V N 1.125 121.013 119.914 -0.043 0.000 2.343 139 V HA -0.202 3.918 4.120 0.000 0.000 0.247 139 V C 2.053 178.099 176.094 -0.079 0.000 1.051 139 V CA 1.516 63.765 62.300 -0.086 0.000 1.036 139 V CB -0.013 31.792 31.823 -0.030 0.000 0.654 139 V HN 0.118 nan 8.190 nan 0.000 0.451 140 V N 0.511 120.385 119.914 -0.067 0.000 2.244 140 V HA -0.203 3.917 4.120 0.000 0.000 0.244 140 V C 2.407 178.415 176.094 -0.143 0.000 1.042 140 V CA 2.482 64.694 62.300 -0.146 0.000 1.006 140 V CB -0.864 30.762 31.823 -0.328 0.000 0.641 140 V HN 0.564 nan 8.190 nan 0.000 0.446 141 D N -0.161 120.166 120.400 -0.120 0.000 2.123 141 D HA -0.164 4.476 4.640 0.000 0.000 0.196 141 D C 1.903 178.229 176.300 0.044 0.000 0.992 141 D CA 1.305 55.276 54.000 -0.048 0.000 0.833 141 D CB -0.312 40.459 40.800 -0.048 0.000 0.954 141 D HN 0.335 nan 8.370 nan 0.000 0.455 142 L N 0.068 121.267 121.223 -0.039 0.000 2.007 142 L HA -0.048 4.292 4.340 0.000 0.000 0.205 142 L C 2.106 179.025 176.870 0.081 0.000 1.073 142 L CA 1.508 56.326 54.840 -0.036 0.000 0.744 142 L CB -0.372 41.507 42.059 -0.300 0.000 0.898 142 L HN -0.011 nan 8.230 nan 0.000 0.435 143 L N -0.991 120.205 121.223 -0.046 0.000 2.298 143 L HA 0.250 4.590 4.340 0.000 0.000 0.209 143 L C 0.810 177.672 176.870 -0.014 0.000 1.084 143 L CA 0.566 55.373 54.840 -0.054 0.000 0.816 143 L CB -0.263 41.740 42.059 -0.094 0.000 0.967 143 L HN 0.320 nan 8.230 nan 0.000 0.460 144 A N 0.338 123.164 122.820 0.009 0.000 3.422 144 A HA 0.421 4.741 4.320 0.000 0.000 0.271 144 A C -2.651 174.969 177.584 0.059 0.000 1.104 144 A CA -0.800 51.267 52.037 0.049 0.000 0.899 144 A CB -0.145 18.907 19.000 0.086 0.000 1.309 144 A HN -0.143 nan 8.150 nan 0.000 0.580 145 P HA 0.160 nan 4.420 nan 0.000 0.272 145 P C -0.545 176.854 177.300 0.166 0.000 1.223 145 P CA 0.310 63.417 63.100 0.011 0.000 0.784 145 P CB 0.490 32.230 31.700 0.067 0.000 0.923 146 Y N 0.067 120.398 120.300 0.052 0.000 2.300 146 Y HA 0.438 4.988 4.550 0.000 0.000 0.328 146 Y C 1.127 177.044 175.900 0.027 0.000 1.270 146 Y CA -1.285 56.836 58.100 0.035 0.000 1.352 146 Y CB 0.875 39.351 38.460 0.027 0.000 1.286 146 Y HN 0.378 nan 8.280 nan 0.000 0.536 147 A N 2.500 125.428 122.820 0.180 0.000 2.337 147 A HA 0.424 4.744 4.320 0.000 0.000 0.329 147 A C -0.885 176.734 177.584 0.059 0.000 1.146 147 A CA -1.128 50.965 52.037 0.094 0.000 0.800 147 A CB 0.735 19.771 19.000 0.059 0.000 1.220 147 A HN 0.737 nan 8.150 nan 0.000 0.472 148 K N 0.868 121.297 120.400 0.049 0.000 2.412 148 K HA 0.361 4.681 4.320 0.000 0.000 0.281 148 K C 1.075 177.678 176.600 0.004 0.000 1.027 148 K CA 0.980 57.284 56.287 0.028 0.000 0.989 148 K CB 0.385 32.907 32.500 0.037 0.000 0.935 148 K HN 1.532 nan 8.250 nan 0.000 0.475 149 G N 2.033 110.821 108.800 -0.020 0.000 2.162 149 G HA2 -0.260 3.700 3.960 0.000 0.000 0.260 149 G HA3 -0.260 3.700 3.960 0.000 0.000 0.260 149 G C 0.467 175.341 174.900 -0.044 0.000 0.976 149 G CA 0.070 45.150 45.100 -0.034 0.000 0.655 149 G HN 0.865 nan 8.290 nan 0.000 0.533 150 G N -0.710 108.062 108.800 -0.047 0.000 2.502 150 G HA2 0.577 4.537 3.960 0.000 0.000 0.305 150 G HA3 0.577 4.537 3.960 0.000 0.000 0.305 150 G C -0.180 174.662 174.900 -0.097 0.000 1.190 150 G CA -0.692 44.379 45.100 -0.050 0.000 0.933 150 G HN 0.335 nan 8.290 nan 0.000 0.503 151 K N 0.387 120.737 120.400 -0.084 0.000 2.281 151 K HA 0.389 4.709 4.320 0.000 0.000 0.272 151 K C -0.797 175.717 176.600 -0.144 0.000 1.048 151 K CA -0.164 56.055 56.287 -0.114 0.000 0.898 151 K CB 1.611 34.074 32.500 -0.062 0.000 1.128 151 K HN 0.257 nan 8.250 nan 0.000 0.460 152 I N 1.439 121.860 120.570 -0.248 0.000 2.412 152 I HA 0.356 4.526 4.170 0.000 0.000 0.296 152 I C 0.427 176.379 176.117 -0.275 0.000 0.987 152 I CA -0.496 60.591 61.300 -0.354 0.000 1.180 152 I CB 2.065 39.634 38.000 -0.718 0.000 1.340 152 I HN 0.587 nan 8.210 nan 0.000 0.455 153 G N 6.433 115.118 108.800 -0.193 0.000 2.566 153 G HA2 0.724 4.684 3.960 0.000 0.000 0.311 153 G HA3 0.724 4.684 3.960 0.000 0.000 0.311 153 G C -1.110 173.708 174.900 -0.137 0.000 1.322 153 G CA -0.538 44.416 45.100 -0.243 0.000 0.969 153 G HN 0.451 nan 8.290 nan 0.000 0.490 154 L N 2.009 123.110 121.223 -0.202 0.000 2.324 154 L HA 0.453 4.793 4.340 0.000 0.000 0.274 154 L C -0.897 175.907 176.870 -0.110 0.000 1.012 154 L CA -0.584 54.242 54.840 -0.023 0.000 0.859 154 L CB 0.902 42.986 42.059 0.042 0.000 1.224 154 L HN 0.313 nan 8.230 nan 0.000 0.429 155 F N 1.295 121.242 119.950 -0.004 0.000 2.385 155 F HA 0.782 5.309 4.527 0.000 0.000 0.336 155 F C 0.992 176.795 175.800 0.005 0.000 1.100 155 F CA -0.225 57.751 58.000 -0.039 0.000 1.116 155 F CB 2.014 40.971 39.000 -0.071 0.000 1.166 155 F HN 0.447 nan 8.300 nan 0.000 0.511 156 G N 0.839 109.727 108.800 0.147 0.000 2.655 156 G HA2 0.472 4.432 3.960 0.000 0.000 0.296 156 G HA3 0.472 4.432 3.960 0.000 0.000 0.296 156 G C -0.737 174.156 174.900 -0.012 0.000 1.485 156 G CA -0.413 44.741 45.100 0.090 0.000 0.869 156 G HN 0.922 nan 8.290 nan 0.000 0.540 157 G N -0.405 108.370 108.800 -0.043 0.000 2.611 157 G HA2 0.631 4.591 3.960 0.000 0.000 0.273 157 G HA3 0.631 4.591 3.960 0.000 0.000 0.273 157 G C 0.829 175.755 174.900 0.044 0.000 1.305 157 G CA 0.393 45.419 45.100 -0.124 0.000 1.010 157 G HN 1.749 nan 8.290 nan 0.000 0.509 158 A N -0.981 121.922 122.820 0.138 0.000 2.505 158 A HA 0.507 4.827 4.320 0.000 0.000 0.271 158 A C 1.503 179.167 177.584 0.134 0.000 1.112 158 A CA 1.065 53.252 52.037 0.250 0.000 0.781 158 A CB -0.898 18.257 19.000 0.259 0.000 1.059 158 A HN 2.562 nan 8.150 nan 0.000 0.508 159 G N 1.041 109.915 108.800 0.123 0.000 2.160 159 G HA2 -0.152 3.808 3.960 0.000 0.000 0.244 159 G HA3 -0.152 3.808 3.960 0.000 0.000 0.244 159 G C 0.676 175.627 174.900 0.086 0.000 1.022 159 G CA 0.709 45.856 45.100 0.079 0.000 0.741 159 G HN 2.153 nan 8.290 nan 0.000 0.508 160 V N -3.451 116.526 119.914 0.105 0.000 3.506 160 V HA 0.647 4.767 4.120 0.000 0.000 0.263 160 V C 1.703 177.901 176.094 0.173 0.000 1.203 160 V CA 1.435 63.808 62.300 0.123 0.000 1.133 160 V CB 0.364 32.239 31.823 0.085 0.000 0.802 160 V HN 2.145 nan 8.190 nan 0.000 0.459 161 G N 0.292 109.180 108.800 0.146 0.000 2.200 161 G HA2 -0.165 3.795 3.960 0.000 0.000 0.145 161 G HA3 -0.165 3.795 3.960 0.000 0.000 0.145 161 G C 0.555 175.559 174.900 0.173 0.000 1.021 161 G CA 0.158 45.355 45.100 0.161 0.000 0.720 161 G HN 0.422 nan 8.290 nan 0.000 0.494 162 K N -0.054 120.437 120.400 0.152 0.000 2.032 162 K HA -0.078 4.243 4.320 0.000 0.000 0.209 162 K C 2.448 179.141 176.600 0.156 0.000 1.048 162 K CA 1.967 58.343 56.287 0.148 0.000 0.927 162 K CB -0.223 32.351 32.500 0.123 0.000 0.712 162 K HN 0.295 nan 8.250 nan 0.000 0.441 163 T N 0.772 115.415 114.554 0.149 0.000 2.896 163 T HA -0.045 4.305 4.350 0.000 0.000 0.263 163 T C 2.022 176.818 174.700 0.161 0.000 1.050 163 T CA 0.725 62.921 62.100 0.160 0.000 1.140 163 T CB -0.018 68.941 68.868 0.151 0.000 0.877 163 T HN -0.065 nan 8.240 nan 0.000 0.457 164 V N 1.761 121.775 119.914 0.167 0.000 2.343 164 V HA -0.101 4.019 4.120 0.000 0.000 0.247 164 V C 2.371 178.601 176.094 0.227 0.000 1.051 164 V CA 1.249 63.675 62.300 0.210 0.000 1.036 164 V CB -0.562 31.391 31.823 0.216 0.000 0.654 164 V HN 0.333 nan 8.190 nan 0.000 0.451 165 L N -0.146 121.234 121.223 0.263 0.000 2.056 165 L HA -0.089 4.251 4.340 0.000 0.000 0.207 165 L C 2.118 179.057 176.870 0.115 0.000 1.078 165 L CA 1.771 56.751 54.840 0.233 0.000 0.749 165 L CB -0.568 41.676 42.059 0.310 0.000 0.901 165 L HN 0.258 nan 8.230 nan 0.000 0.433 166 I N -1.164 119.497 120.570 0.153 0.000 2.361 166 I HA -0.294 3.876 4.170 0.000 0.000 0.251 166 I C 2.038 178.186 176.117 0.052 0.000 1.133 166 I CA 1.011 62.411 61.300 0.167 0.000 1.413 166 I CB 0.056 38.191 38.000 0.226 0.000 1.073 166 I HN 0.302 nan 8.210 nan 0.000 0.424 167 M N -0.457 119.161 119.600 0.029 0.000 2.200 167 M HA -0.159 4.321 4.480 0.000 0.000 0.265 167 M C 2.121 178.357 176.300 -0.108 0.000 1.066 167 M CA 1.367 56.635 55.300 -0.054 0.000 1.127 167 M CB -1.317 31.279 32.600 -0.007 0.000 1.379 167 M HN 0.160 nan 8.290 nan 0.000 0.420 168 E N 1.014 121.124 120.200 -0.150 0.000 2.110 168 E HA -0.095 4.255 4.350 0.000 0.000 0.193 168 E C 2.046 178.515 176.600 -0.218 0.000 0.988 168 E CA 1.108 57.318 56.400 -0.316 0.000 0.804 168 E CB -0.275 28.903 29.700 -0.871 0.000 0.745 168 E HN 0.467 nan 8.360 nan 0.000 0.458 169 L N -0.055 121.104 121.223 -0.106 0.000 2.046 169 L HA -0.151 4.189 4.340 0.000 0.000 0.208 169 L C 2.441 179.322 176.870 0.018 0.000 1.077 169 L CA 1.054 55.921 54.840 0.044 0.000 0.747 169 L CB -0.389 41.817 42.059 0.245 0.000 0.896 169 L HN 0.218 nan 8.230 nan 0.000 0.432 170 I N -0.021 120.438 120.570 -0.184 0.000 2.163 170 I HA -0.336 3.834 4.170 0.000 0.000 0.243 170 I C 2.335 178.363 176.117 -0.149 0.000 1.085 170 I CA 1.631 62.718 61.300 -0.355 0.000 1.347 170 I CB -0.425 37.254 38.000 -0.535 0.000 1.044 170 I HN 0.356 nan 8.210 nan 0.000 0.408 171 N N 1.219 119.844 118.700 -0.126 0.000 2.036 171 N HA -0.227 4.513 4.740 0.000 0.000 0.195 171 N C 1.566 177.047 175.510 -0.049 0.000 1.037 171 N CA 1.994 54.993 53.050 -0.084 0.000 0.855 171 N CB -0.072 38.358 38.487 -0.095 0.000 1.033 171 N HN 0.213 nan 8.380 nan 0.000 0.423 172 N N -1.138 117.534 118.700 -0.047 0.000 2.333 172 N HA 0.020 4.760 4.740 0.000 0.000 0.178 172 N C 1.242 176.769 175.510 0.030 0.000 1.018 172 N CA 0.690 53.729 53.050 -0.018 0.000 0.882 172 N CB 0.147 38.610 38.487 -0.040 0.000 0.984 172 N HN 0.141 nan 8.380 nan 0.000 0.434 173 V N -0.320 119.633 119.914 0.065 0.000 3.151 173 V HA 0.289 4.409 4.120 0.000 0.000 0.241 173 V C 1.847 178.022 176.094 0.136 0.000 1.173 173 V CA 1.001 63.369 62.300 0.113 0.000 1.154 173 V CB 0.074 31.992 31.823 0.159 0.000 0.898 173 V HN 0.189 nan 8.190 nan 0.000 0.473 174 A N -0.243 122.651 122.820 0.124 0.000 1.984 174 A HA 0.015 4.335 4.320 0.000 0.000 0.214 174 A C 2.134 179.790 177.584 0.119 0.000 1.173 174 A CA 0.810 52.929 52.037 0.137 0.000 0.673 174 A CB -0.169 18.890 19.000 0.097 0.000 0.830 174 A HN 0.409 nan 8.150 nan 0.000 0.453 175 K N -0.031 120.405 120.400 0.059 0.000 2.097 175 K HA -0.058 4.262 4.320 0.000 0.000 0.206 175 K C 1.536 178.172 176.600 0.060 0.000 1.049 175 K CA 1.309 57.621 56.287 0.041 0.000 0.933 175 K CB -0.184 32.321 32.500 0.009 0.000 0.717 175 K HN 0.395 nan 8.250 nan 0.000 0.442 176 A N 0.950 123.814 122.820 0.074 0.000 2.460 176 A HA 0.024 4.344 4.320 0.000 0.000 0.258 176 A C -0.155 177.483 177.584 0.089 0.000 1.300 176 A CA -0.255 51.819 52.037 0.062 0.000 0.913 176 A CB -0.440 18.586 19.000 0.043 0.000 1.031 176 A HN 0.245 nan 8.150 nan 0.000 0.512 177 H N -0.803 118.282 119.070 0.025 0.000 2.764 177 H HA 0.402 4.958 4.556 0.000 0.000 0.341 177 H C 1.473 176.795 175.328 -0.011 0.000 1.072 177 H CA 0.763 56.823 56.048 0.019 0.000 1.444 177 H CB 1.223 31.015 29.762 0.050 0.000 1.458 177 H HN 0.081 nan 8.280 nan 0.000 0.572 178 G N 2.832 111.274 108.800 -0.597 0.000 2.464 178 G HA2 0.044 4.004 3.960 0.000 0.000 0.217 178 G HA3 0.044 4.004 3.960 0.000 0.000 0.217 178 G C 0.868 175.448 174.900 -0.534 0.000 1.138 178 G CA 0.464 45.294 45.100 -0.450 0.000 0.793 178 G HN 0.782 nan 8.290 nan 0.000 0.539 179 G N -1.244 107.019 108.800 -0.894 0.000 2.849 179 G HA2 0.552 4.512 3.960 0.000 0.000 0.174 179 G HA3 0.552 4.512 3.960 0.000 0.000 0.174 179 G C -0.961 173.842 174.900 -0.163 0.000 1.370 179 G CA -1.014 43.753 45.100 -0.556 0.000 1.040 179 G HN 0.190 nan 8.290 nan 0.000 0.582 180 Y N -0.658 119.654 120.300 0.021 0.000 2.457 180 Y HA 0.577 5.127 4.550 0.000 0.000 0.333 180 Y C 0.368 176.270 175.900 0.004 0.000 1.119 180 Y CA -0.814 57.215 58.100 -0.120 0.000 1.143 180 Y CB 2.382 40.464 38.460 -0.630 0.000 1.230 180 Y HN 0.288 nan 8.280 nan 0.000 0.469 181 S N 1.119 116.935 115.700 0.192 0.000 2.542 181 S HA 0.629 5.099 4.470 0.000 0.000 0.293 181 S C -1.143 173.576 174.600 0.198 0.000 1.089 181 S CA -0.806 57.506 58.200 0.187 0.000 0.961 181 S CB 2.000 65.350 63.200 0.250 0.000 1.062 181 S HN 0.316 nan 8.310 nan 0.000 0.483 182 V N 2.720 122.766 119.914 0.220 0.000 2.495 182 V HA 0.523 4.643 4.120 0.000 0.000 0.298 182 V C -1.132 175.114 176.094 0.252 0.000 1.031 182 V CA -0.669 61.758 62.300 0.213 0.000 0.871 182 V CB 1.322 33.243 31.823 0.163 0.000 0.988 182 V HN 0.855 nan 8.190 nan 0.000 0.432 183 F N 3.980 123.980 119.950 0.083 0.000 2.426 183 F HA 0.762 5.289 4.527 0.000 0.000 0.348 183 F C 0.313 176.027 175.800 -0.143 0.000 1.124 183 F CA -0.516 57.499 58.000 0.025 0.000 1.008 183 F CB 1.143 40.143 39.000 -0.000 0.000 1.139 183 F HN 0.554 nan 8.300 nan 0.000 0.452 184 A N 4.750 127.274 122.820 -0.494 0.000 2.256 184 A HA 0.612 4.932 4.320 0.000 0.000 0.317 184 A C 0.081 177.297 177.584 -0.614 0.000 1.318 184 A CA -0.344 51.428 52.037 -0.441 0.000 0.894 184 A CB 0.128 18.950 19.000 -0.296 0.000 1.165 184 A HN 0.994 nan 8.150 nan 0.000 0.525 185 G N 1.417 109.859 108.800 -0.596 0.000 2.356 185 G HA2 0.496 4.456 3.960 0.000 0.000 0.300 185 G HA3 0.496 4.456 3.960 0.000 0.000 0.300 185 G C -0.610 174.230 174.900 -0.100 0.000 1.107 185 G CA -0.131 44.788 45.100 -0.301 0.000 0.960 185 G HN 0.707 nan 8.290 nan 0.000 0.418 186 V N 2.679 122.564 119.914 -0.048 0.000 2.349 186 V HA 0.611 4.731 4.120 0.000 0.000 0.284 186 V C 1.061 177.183 176.094 0.046 0.000 1.014 186 V CA 0.255 62.552 62.300 -0.005 0.000 0.826 186 V CB 0.861 32.663 31.823 -0.034 0.000 1.009 186 V HN 1.367 nan 8.190 nan 0.000 0.431 187 G N 3.360 112.199 108.800 0.064 0.000 2.225 187 G HA2 -0.187 3.773 3.960 0.000 0.000 0.267 187 G HA3 -0.187 3.773 3.960 0.000 0.000 0.267 187 G C 0.175 175.118 174.900 0.071 0.000 1.024 187 G CA 0.528 45.664 45.100 0.060 0.000 0.784 187 G HN 0.584 nan 8.290 nan 0.000 0.507 188 E N -0.724 119.541 120.200 0.107 0.000 2.754 188 E HA 0.472 4.822 4.350 0.000 0.000 0.224 188 E C 0.797 177.465 176.600 0.114 0.000 0.851 188 E CA -0.894 55.574 56.400 0.112 0.000 1.047 188 E CB 0.513 30.302 29.700 0.149 0.000 1.584 188 E HN 0.368 nan 8.360 nan 0.000 0.429 189 R N 0.420 120.990 120.500 0.117 0.000 2.265 189 R HA 0.241 4.581 4.340 0.000 0.000 0.314 189 R C 1.117 177.465 176.300 0.080 0.000 1.053 189 R CA 0.009 56.160 56.100 0.084 0.000 0.931 189 R CB 0.459 30.803 30.300 0.072 0.000 1.024 189 R HN 0.396 nan 8.270 nan 0.000 0.457 190 T N 2.254 116.833 114.554 0.040 0.000 2.699 190 T HA -0.231 4.119 4.350 0.000 0.000 0.268 190 T C 1.785 176.458 174.700 -0.045 0.000 1.036 190 T CA 1.479 63.566 62.100 -0.021 0.000 1.147 190 T CB -0.156 68.697 68.868 -0.025 0.000 0.862 190 T HN 0.572 nan 8.240 nan 0.000 0.446 191 R N 1.129 121.626 120.500 -0.004 0.000 2.133 191 R HA -0.194 4.146 4.340 0.000 0.000 0.247 191 R C 2.096 178.401 176.300 0.009 0.000 1.151 191 R CA 1.976 58.079 56.100 0.006 0.000 0.971 191 R CB -0.199 30.116 30.300 0.025 0.000 0.866 191 R HN 0.520 nan 8.270 nan 0.000 0.447 192 E N -1.132 119.086 120.200 0.030 0.000 2.208 192 E HA -0.081 4.269 4.350 0.000 0.000 0.193 192 E C 1.857 178.456 176.600 -0.002 0.000 0.988 192 E CA 0.884 57.313 56.400 0.048 0.000 0.828 192 E CB -0.080 29.686 29.700 0.110 0.000 0.763 192 E HN 0.615 nan 8.360 nan 0.000 0.478 193 G N 1.264 110.006 108.800 -0.096 0.000 2.404 193 G HA2 -0.329 3.631 3.960 0.000 0.000 0.215 193 G HA3 -0.329 3.631 3.960 0.000 0.000 0.215 193 G C 1.410 176.125 174.900 -0.308 0.000 1.174 193 G CA 0.959 45.796 45.100 -0.439 0.000 0.780 193 G HN 0.213 nan 8.290 nan 0.000 0.537 194 N N 0.581 119.179 118.700 -0.170 0.000 2.084 194 N HA -0.116 4.624 4.740 0.000 0.000 0.190 194 N C 1.733 177.320 175.510 0.128 0.000 1.030 194 N CA 1.689 54.746 53.050 0.011 0.000 0.849 194 N CB -0.116 38.407 38.487 0.060 0.000 1.012 194 N HN 0.131 nan 8.380 nan 0.000 0.423 195 D N 0.214 120.650 120.400 0.059 0.000 2.103 195 D HA -0.177 4.463 4.640 0.000 0.000 0.190 195 D C 1.918 178.236 176.300 0.030 0.000 0.997 195 D CA 0.850 54.884 54.000 0.056 0.000 0.833 195 D CB -0.688 40.128 40.800 0.028 0.000 0.961 195 D HN 0.249 nan 8.370 nan 0.000 0.447 196 L N 0.032 121.237 121.223 -0.030 0.000 2.042 196 L HA -0.211 4.129 4.340 0.000 0.000 0.210 196 L C 2.222 179.068 176.870 -0.041 0.000 1.076 196 L CA 1.582 56.367 54.840 -0.092 0.000 0.749 196 L CB -0.969 40.951 42.059 -0.232 0.000 0.893 196 L HN 0.058 nan 8.230 nan 0.000 0.432 197 Y N 0.046 120.238 120.300 -0.180 0.000 2.070 197 Y HA -0.311 4.239 4.550 0.000 0.000 0.280 197 Y C 2.849 178.604 175.900 -0.241 0.000 1.148 197 Y CA 2.380 60.336 58.100 -0.240 0.000 1.125 197 Y CB -0.690 37.550 38.460 -0.367 0.000 0.975 197 Y HN 0.394 nan 8.280 nan 0.000 0.492 198 H N -0.180 118.829 119.070 -0.103 0.000 2.423 198 H HA -0.093 4.463 4.556 0.000 0.000 0.297 198 H C 2.095 177.333 175.328 -0.151 0.000 1.075 198 H CA 1.613 57.547 56.048 -0.190 0.000 1.342 198 H CB -0.118 29.591 29.762 -0.088 0.000 1.395 198 H HN 0.560 nan 8.280 nan 0.000 0.530 199 E N 0.348 120.544 120.200 -0.006 0.000 2.077 199 E HA -0.126 4.224 4.350 0.000 0.000 0.193 199 E C 2.216 178.768 176.600 -0.079 0.000 0.989 199 E CA 0.855 57.230 56.400 -0.042 0.000 0.800 199 E CB 0.022 29.695 29.700 -0.045 0.000 0.746 199 E HN 0.373 nan 8.360 nan 0.000 0.452 200 M N 0.024 119.558 119.600 -0.110 0.000 2.254 200 M HA -0.083 4.397 4.480 0.000 0.000 0.265 200 M C 2.150 178.370 176.300 -0.134 0.000 1.066 200 M CA 1.017 56.251 55.300 -0.110 0.000 1.123 200 M CB -0.094 32.451 32.600 -0.092 0.000 1.388 200 M HN 0.133 nan 8.290 nan 0.000 0.425 201 I N 0.095 120.536 120.570 -0.215 0.000 2.252 201 I HA -0.264 3.906 4.170 0.000 0.000 0.245 201 I C 2.486 178.536 176.117 -0.112 0.000 1.102 201 I CA 1.246 62.424 61.300 -0.203 0.000 1.385 201 I CB -0.381 37.440 38.000 -0.298 0.000 1.064 201 I HN 0.264 nan 8.210 nan 0.000 0.414 202 E N 1.453 121.600 120.200 -0.088 0.000 2.077 202 E HA -0.226 4.124 4.350 0.000 0.000 0.193 202 E C 2.142 178.713 176.600 -0.049 0.000 0.989 202 E CA 2.134 58.501 56.400 -0.056 0.000 0.800 202 E CB -0.216 29.458 29.700 -0.043 0.000 0.746 202 E HN 0.472 nan 8.360 nan 0.000 0.452 203 S N -1.528 114.141 115.700 -0.052 0.000 2.527 203 S HA 0.186 4.656 4.470 0.000 0.000 0.222 203 S C 1.717 176.296 174.600 -0.034 0.000 0.985 203 S CA 0.559 58.735 58.200 -0.040 0.000 0.921 203 S CB -0.062 63.114 63.200 -0.040 0.000 0.772 203 S HN 0.676 nan 8.310 nan 0.000 0.529 204 G N 0.764 109.538 108.800 -0.044 0.000 2.157 204 G HA2 -0.336 3.624 3.960 0.000 0.000 0.248 204 G HA3 -0.336 3.624 3.960 0.000 0.000 0.248 204 G C 0.836 175.723 174.900 -0.023 0.000 0.979 204 G CA 0.580 45.659 45.100 -0.035 0.000 0.650 204 G HN 1.382 nan 8.290 nan 0.000 0.529 205 V N -1.925 117.976 119.914 -0.022 0.000 2.667 205 V HA 0.390 4.510 4.120 0.000 0.000 0.252 205 V C 1.397 177.489 176.094 -0.003 0.000 1.065 205 V CA 1.370 63.670 62.300 0.000 0.000 1.083 205 V CB -0.178 31.649 31.823 0.007 0.000 0.692 205 V HN 0.458 nan 8.190 nan 0.000 0.468 206 I N 2.101 122.650 120.570 -0.034 0.000 2.354 206 I HA 0.436 4.606 4.170 0.000 0.000 0.292 206 I C -0.433 175.648 176.117 -0.060 0.000 0.989 206 I CA -0.168 61.106 61.300 -0.042 0.000 1.188 206 I CB 1.434 39.393 38.000 -0.069 0.000 1.342 206 I HN 0.166 nan 8.210 nan 0.000 0.457 207 N N 7.128 125.807 118.700 -0.035 0.000 2.483 207 N HA 0.331 5.071 4.740 0.000 0.000 0.267 207 N C 0.005 175.501 175.510 -0.025 0.000 0.998 207 N CA -0.415 52.614 53.050 -0.034 0.000 0.918 207 N CB 1.794 40.271 38.487 -0.017 0.000 1.215 207 N HN 0.559 nan 8.380 nan 0.000 0.500 208 L N 2.452 123.654 121.223 -0.035 0.000 2.612 208 L HA 0.173 4.513 4.340 0.000 0.000 0.230 208 L C 1.592 178.459 176.870 -0.005 0.000 1.140 208 L CA 0.391 55.222 54.840 -0.015 0.000 0.896 208 L CB 0.061 42.106 42.059 -0.024 0.000 1.065 208 L HN 0.296 nan 8.230 nan 0.000 0.447 209 K N -0.440 119.956 120.400 -0.008 0.000 2.474 209 K HA 0.156 4.476 4.320 0.000 0.000 0.204 209 K C -0.099 176.501 176.600 0.000 0.000 1.220 209 K CA 0.314 56.600 56.287 -0.003 0.000 0.966 209 K CB 0.940 33.436 32.500 -0.006 0.000 1.049 209 K HN 0.354 nan 8.250 nan 0.000 0.554 210 D N -1.292 119.108 120.400 0.000 0.000 2.837 210 D HA 0.324 4.964 4.640 0.000 0.000 0.294 210 D C -0.241 176.063 176.300 0.006 0.000 1.158 210 D CA -0.719 53.284 54.000 0.004 0.000 1.073 210 D CB 0.347 41.150 40.800 0.004 0.000 1.419 210 D HN -0.168 nan 8.370 nan 0.000 0.584 211 A N -0.812 122.015 122.820 0.011 0.000 2.507 211 A HA 0.300 4.620 4.320 0.000 0.000 0.270 211 A C 1.065 178.662 177.584 0.021 0.000 1.318 211 A CA 0.428 52.474 52.037 0.014 0.000 0.924 211 A CB -0.948 18.063 19.000 0.019 0.000 1.061 211 A HN 0.575 nan 8.150 nan 0.000 0.516 212 T N -2.451 112.115 114.554 0.019 0.000 3.188 212 T HA 0.165 4.515 4.350 0.000 0.000 0.250 212 T C 0.578 175.296 174.700 0.031 0.000 1.077 212 T CA 0.185 62.303 62.100 0.030 0.000 0.967 212 T CB -0.446 68.435 68.868 0.021 0.000 1.006 212 T HN 0.135 nan 8.240 nan 0.000 0.552 213 S N 1.658 117.366 115.700 0.015 0.000 2.549 213 S HA 0.228 4.698 4.470 0.000 0.000 0.283 213 S C 0.975 175.583 174.600 0.014 0.000 1.320 213 S CA -0.483 57.721 58.200 0.008 0.000 1.058 213 S CB 1.001 64.198 63.200 -0.004 0.000 0.882 213 S HN 0.453 nan 8.310 nan 0.000 0.498 214 K N 0.926 121.356 120.400 0.049 0.000 2.355 214 K HA 0.242 4.562 4.320 0.000 0.000 0.198 214 K C -0.161 176.487 176.600 0.079 0.000 1.039 214 K CA 0.127 56.489 56.287 0.125 0.000 1.075 214 K CB 0.825 33.422 32.500 0.160 0.000 0.870 214 K HN 0.379 nan 8.250 nan 0.000 0.540 215 V N 0.880 120.819 119.914 0.041 0.000 2.656 215 V HA 0.646 4.766 4.120 0.000 0.000 0.307 215 V C -1.587 174.553 176.094 0.076 0.000 1.051 215 V CA -0.807 61.537 62.300 0.074 0.000 0.893 215 V CB 1.627 33.512 31.823 0.104 0.000 0.999 215 V HN 0.143 nan 8.190 nan 0.000 0.426 216 A N 7.081 129.972 122.820 0.118 0.000 2.312 216 A HA 0.862 5.182 4.320 0.000 0.000 0.326 216 A C -0.935 176.744 177.584 0.158 0.000 1.172 216 A CA -0.619 51.500 52.037 0.138 0.000 0.821 216 A CB 0.840 19.951 19.000 0.184 0.000 1.166 216 A HN 0.864 nan 8.150 nan 0.000 0.493 217 L N 2.386 123.699 121.223 0.150 0.000 2.329 217 L HA 0.650 4.990 4.340 0.000 0.000 0.279 217 L C -1.030 175.918 176.870 0.130 0.000 1.014 217 L CA -0.869 54.084 54.840 0.189 0.000 0.814 217 L CB 1.909 44.138 42.059 0.282 0.000 1.257 217 L HN 0.421 nan 8.230 nan 0.000 0.424 218 V N 3.049 122.985 119.914 0.037 0.000 2.569 218 V HA 0.439 4.559 4.120 0.000 0.000 0.301 218 V C -1.342 174.679 176.094 -0.122 0.000 1.044 218 V CA -0.636 61.664 62.300 -0.000 0.000 0.874 218 V CB 1.816 33.614 31.823 -0.041 0.000 1.002 218 V HN 0.458 nan 8.190 nan 0.000 0.424 219 Y N 1.678 122.000 120.300 0.036 0.000 2.442 219 Y HA 0.770 5.320 4.550 0.000 0.000 0.344 219 Y C 0.541 176.455 175.900 0.022 0.000 0.976 219 Y CA -0.634 57.493 58.100 0.044 0.000 1.040 219 Y CB 2.833 41.312 38.460 0.031 0.000 1.228 219 Y HN 0.712 nan 8.280 nan 0.000 0.451 220 G N 3.893 112.792 108.800 0.166 0.000 2.975 220 G HA2 0.377 4.337 3.960 0.000 0.000 0.299 220 G HA3 0.377 4.337 3.960 0.000 0.000 0.299 220 G C -1.137 173.830 174.900 0.112 0.000 1.587 220 G CA -0.557 44.609 45.100 0.110 0.000 1.052 220 G HN 0.324 nan 8.290 nan 0.000 0.545 221 Q N 1.325 121.200 119.800 0.125 0.000 2.239 221 Q HA 0.324 4.664 4.340 0.000 0.000 0.193 221 Q C 1.885 177.926 176.000 0.069 0.000 1.004 221 Q CA -0.861 55.013 55.803 0.118 0.000 1.040 221 Q CB 0.943 29.762 28.738 0.135 0.000 1.149 221 Q HN 0.742 nan 8.270 nan 0.000 0.535 222 M N -0.232 119.403 119.600 0.059 0.000 2.686 222 M HA 0.011 4.491 4.480 0.000 0.000 0.246 222 M C 0.667 176.983 176.300 0.027 0.000 1.096 222 M CA 0.900 56.222 55.300 0.036 0.000 1.076 222 M CB -0.372 32.246 32.600 0.030 0.000 1.504 222 M HN 0.323 nan 8.290 nan 0.000 0.524 223 N N 0.353 119.070 118.700 0.029 0.000 2.461 223 N HA 0.017 4.757 4.740 0.000 0.000 0.188 223 N C -0.340 175.182 175.510 0.019 0.000 1.134 223 N CA 0.362 53.424 53.050 0.020 0.000 0.878 223 N CB -0.142 38.355 38.487 0.016 0.000 0.972 223 N HN 0.428 nan 8.380 nan 0.000 0.456 224 E N 1.838 122.052 120.200 0.023 0.000 2.242 224 E HA 0.363 4.713 4.350 0.000 0.000 0.275 224 E C -2.247 174.361 176.600 0.013 0.000 1.002 224 E CA -2.018 54.394 56.400 0.021 0.000 0.841 224 E CB 1.290 31.007 29.700 0.029 0.000 1.109 224 E HN 0.200 nan 8.360 nan 0.000 0.394 225 P HA 0.069 nan 4.420 nan 0.000 0.272 225 P C -1.980 175.319 177.300 -0.002 0.000 1.230 225 P CA -1.100 62.002 63.100 0.003 0.000 0.788 225 P CB 0.170 31.873 31.700 0.004 0.000 0.949 226 P HA -0.193 nan 4.420 nan 0.000 0.216 226 P C 1.694 178.978 177.300 -0.026 0.000 1.150 226 P CA 2.008 65.091 63.100 -0.028 0.000 0.843 226 P CB -0.729 30.949 31.700 -0.038 0.000 0.787 227 G N 0.467 109.259 108.800 -0.012 0.000 2.469 227 G HA2 -0.277 3.683 3.960 0.000 0.000 0.219 227 G HA3 -0.277 3.683 3.960 0.000 0.000 0.219 227 G C 1.796 176.703 174.900 0.011 0.000 1.150 227 G CA 1.295 46.394 45.100 -0.001 0.000 0.763 227 G HN 0.396 nan 8.290 nan 0.000 0.561 228 A N 0.628 123.456 122.820 0.014 0.000 1.873 228 A HA 0.046 4.366 4.320 0.000 0.000 0.215 228 A C 2.434 180.032 177.584 0.024 0.000 1.186 228 A CA 1.543 53.593 52.037 0.022 0.000 0.616 228 A CB -0.380 18.634 19.000 0.024 0.000 0.823 228 A HN 0.339 nan 8.150 nan 0.000 0.442 229 R N -0.574 119.935 120.500 0.015 0.000 2.152 229 R HA -0.034 4.306 4.340 0.000 0.000 0.232 229 R C 2.192 178.507 176.300 0.023 0.000 1.117 229 R CA 0.992 57.102 56.100 0.017 0.000 0.981 229 R CB -0.320 29.980 30.300 -0.000 0.000 0.870 229 R HN 0.517 nan 8.270 nan 0.000 0.451 230 A N 0.398 123.215 122.820 -0.005 0.000 2.067 230 A HA -0.009 4.311 4.320 0.000 0.000 0.217 230 A C 1.748 179.405 177.584 0.121 0.000 1.156 230 A CA 0.766 52.787 52.037 -0.027 0.000 0.683 230 A CB 0.147 19.073 19.000 -0.123 0.000 0.808 230 A HN 0.041 nan 8.150 nan 0.000 0.455 231 R N -1.488 119.063 120.500 0.084 0.000 2.279 231 R HA 0.138 4.478 4.340 0.000 0.000 0.195 231 R C 1.765 178.079 176.300 0.023 0.000 0.905 231 R CA 0.837 56.977 56.100 0.067 0.000 1.044 231 R CB -1.103 29.226 30.300 0.048 0.000 1.056 231 R HN 0.347 nan 8.270 nan 0.000 0.535 232 V N 1.531 121.461 119.914 0.027 0.000 2.594 232 V HA -0.140 3.980 4.120 0.000 0.000 0.253 232 V C 2.056 178.123 176.094 -0.045 0.000 1.069 232 V CA 1.960 64.256 62.300 -0.006 0.000 1.082 232 V CB -0.339 31.488 31.823 0.007 0.000 0.680 232 V HN 0.279 nan 8.190 nan 0.000 0.469 233 A N -0.205 122.591 122.820 -0.039 0.000 1.930 233 A HA -0.090 4.230 4.320 0.000 0.000 0.217 233 A C 2.096 179.588 177.584 -0.153 0.000 1.175 233 A CA 1.891 53.857 52.037 -0.118 0.000 0.627 233 A CB -0.436 18.471 19.000 -0.156 0.000 0.815 233 A HN 0.591 nan 8.150 nan 0.000 0.443 234 L N -0.891 120.252 121.223 -0.134 0.000 2.072 234 L HA -0.127 4.213 4.340 0.000 0.000 0.205 234 L C 2.737 179.525 176.870 -0.136 0.000 1.079 234 L CA 1.634 56.374 54.840 -0.167 0.000 0.752 234 L CB -1.442 40.484 42.059 -0.223 0.000 0.906 234 L HN 0.311 nan 8.230 nan 0.000 0.436 235 T N 0.364 114.856 114.554 -0.104 0.000 2.607 235 T HA -0.200 4.150 4.350 0.000 0.000 0.267 235 T C 1.905 176.557 174.700 -0.081 0.000 1.049 235 T CA 1.722 63.775 62.100 -0.079 0.000 1.162 235 T CB -0.824 68.014 68.868 -0.050 0.000 0.863 235 T HN 0.564 nan 8.240 nan 0.000 0.424 236 G N 1.587 110.335 108.800 -0.087 0.000 2.421 236 G HA2 -0.156 3.804 3.960 0.000 0.000 0.216 236 G HA3 -0.156 3.804 3.960 0.000 0.000 0.216 236 G C 1.561 176.414 174.900 -0.078 0.000 1.171 236 G CA 1.057 46.106 45.100 -0.084 0.000 0.775 236 G HN 0.470 nan 8.290 nan 0.000 0.543 237 L N 0.997 122.155 121.223 -0.108 0.000 2.079 237 L HA -0.018 4.322 4.340 0.000 0.000 0.210 237 L C 2.633 179.460 176.870 -0.072 0.000 1.081 237 L CA 2.792 57.570 54.840 -0.103 0.000 0.752 237 L CB -1.178 40.793 42.059 -0.146 0.000 0.896 237 L HN 0.154 nan 8.230 nan 0.000 0.433 238 T N -0.779 113.728 114.554 -0.079 0.000 2.788 238 T HA -0.129 4.221 4.350 0.000 0.000 0.268 238 T C 1.987 176.649 174.700 -0.064 0.000 1.044 238 T CA 1.552 63.614 62.100 -0.065 0.000 1.139 238 T CB -0.377 68.448 68.868 -0.073 0.000 0.867 238 T HN 0.252 nan 8.240 nan 0.000 0.454 239 V N 1.645 121.511 119.914 -0.080 0.000 2.343 239 V HA -0.151 3.969 4.120 0.000 0.000 0.247 239 V C 2.864 178.919 176.094 -0.066 0.000 1.051 239 V CA 1.698 63.919 62.300 -0.131 0.000 1.036 239 V CB -1.130 30.651 31.823 -0.071 0.000 0.654 239 V HN 0.522 nan 8.190 nan 0.000 0.451 240 A N -0.502 122.354 122.820 0.060 0.000 1.930 240 A HA -0.207 4.113 4.320 0.000 0.000 0.217 240 A C 2.163 179.817 177.584 0.117 0.000 1.175 240 A CA 1.654 53.791 52.037 0.167 0.000 0.627 240 A CB -0.423 18.631 19.000 0.090 0.000 0.815 240 A HN 0.610 nan 8.150 nan 0.000 0.443 241 E N -1.519 118.704 120.200 0.038 0.000 2.077 241 E HA -0.227 4.123 4.350 0.000 0.000 0.193 241 E C 1.821 178.437 176.600 0.027 0.000 0.989 241 E CA 1.511 57.925 56.400 0.022 0.000 0.800 241 E CB -0.343 29.355 29.700 -0.002 0.000 0.746 241 E HN 0.789 nan 8.360 nan 0.000 0.452 242 Y N 0.544 120.774 120.300 -0.117 0.000 2.097 242 Y HA -0.292 4.259 4.550 0.000 0.000 0.282 242 Y C 1.880 177.736 175.900 -0.073 0.000 1.152 242 Y CA 1.821 59.821 58.100 -0.167 0.000 1.136 242 Y CB -0.469 37.784 38.460 -0.344 0.000 0.975 242 Y HN -0.012 nan 8.280 nan 0.000 0.498 243 F N -0.007 120.049 119.950 0.176 0.000 2.126 243 F HA -0.242 4.285 4.527 -0.000 0.000 0.299 243 F C 2.815 178.621 175.800 0.010 0.000 1.096 243 F CA 1.456 59.538 58.000 0.136 0.000 1.255 243 F CB -0.408 38.746 39.000 0.258 0.000 0.997 243 F HN -0.023 nan 8.300 nan 0.000 0.479 244 R N 0.516 121.123 120.500 0.177 0.000 2.081 244 R HA -0.173 4.168 4.340 0.000 0.000 0.235 244 R C 1.420 177.716 176.300 -0.006 0.000 1.131 244 R CA 2.182 58.324 56.100 0.070 0.000 0.960 244 R CB -0.240 30.085 30.300 0.042 0.000 0.856 244 R HN 0.218 nan 8.270 nan 0.000 0.436 245 D N -0.483 119.878 120.400 -0.067 0.000 2.414 245 D HA -0.033 4.607 4.640 0.000 0.000 0.237 245 D C 1.349 177.545 176.300 -0.173 0.000 0.975 245 D CA 0.659 54.597 54.000 -0.103 0.000 0.917 245 D CB -0.069 40.674 40.800 -0.095 0.000 1.061 245 D HN 0.115 nan 8.370 nan 0.000 0.480 246 Q N 0.541 120.122 119.800 -0.365 0.000 2.282 246 Q HA 0.128 4.468 4.340 0.000 0.000 0.205 246 Q C 0.208 176.002 176.000 -0.344 0.000 0.915 246 Q CA 0.368 55.885 55.803 -0.477 0.000 0.949 246 Q CB 0.749 28.911 28.738 -0.959 0.000 1.035 246 Q HN 0.474 nan 8.270 nan 0.000 0.484 247 E N -1.566 118.534 120.200 -0.168 0.000 2.671 247 E HA 0.116 4.466 4.350 0.000 0.000 0.204 247 E C 0.492 177.081 176.600 -0.018 0.000 0.940 247 E CA 0.205 56.591 56.400 -0.024 0.000 1.328 247 E CB 0.919 30.693 29.700 0.123 0.000 1.214 247 E HN 0.340 nan 8.360 nan 0.000 0.624 248 G N 2.066 110.842 108.800 -0.039 0.000 2.280 248 G HA2 -0.336 3.624 3.960 0.000 0.000 0.282 248 G HA3 -0.336 3.624 3.960 0.000 0.000 0.282 248 G C 0.455 175.346 174.900 -0.015 0.000 1.000 248 G CA 1.086 46.169 45.100 -0.029 0.000 0.751 248 G HN 0.123 nan 8.290 nan 0.000 0.515 249 Q N -0.085 119.718 119.800 0.005 0.000 2.237 249 Q HA 0.515 4.855 4.340 0.000 0.000 0.219 249 Q C -0.142 175.862 176.000 0.007 0.000 0.999 249 Q CA -0.685 55.108 55.803 -0.017 0.000 0.959 249 Q CB 0.495 29.194 28.738 -0.066 0.000 1.173 249 Q HN 0.240 nan 8.270 nan 0.000 0.527 250 D N -0.017 120.376 120.400 -0.012 0.000 2.352 250 D HA 0.271 4.911 4.640 0.000 0.000 0.245 250 D C -1.103 175.296 176.300 0.165 0.000 1.224 250 D CA 0.085 54.123 54.000 0.062 0.000 0.879 250 D CB 0.467 41.305 40.800 0.063 0.000 1.057 250 D HN 0.057 nan 8.370 nan 0.000 0.491 251 V N 3.816 123.793 119.914 0.106 0.000 2.513 251 V HA 0.418 4.538 4.120 0.000 0.000 0.299 251 V C 0.193 176.255 176.094 -0.053 0.000 1.035 251 V CA -0.902 61.451 62.300 0.089 0.000 0.889 251 V CB 1.674 33.568 31.823 0.119 0.000 0.988 251 V HN 0.334 nan 8.190 nan 0.000 0.440 252 L N 5.096 126.244 121.223 -0.125 0.000 2.296 252 L HA 0.598 4.938 4.340 0.000 0.000 0.286 252 L C -0.845 175.913 176.870 -0.186 0.000 1.023 252 L CA -0.582 54.097 54.840 -0.269 0.000 0.812 252 L CB 1.653 43.534 42.059 -0.296 0.000 1.223 252 L HN 0.455 nan 8.230 nan 0.000 0.421 253 L N 4.174 125.184 121.223 -0.355 0.000 2.342 253 L HA 0.562 4.902 4.340 0.000 0.000 0.276 253 L C -1.274 175.333 176.870 -0.438 0.000 0.997 253 L CA 0.072 54.768 54.840 -0.240 0.000 0.838 253 L CB 0.984 42.941 42.059 -0.170 0.000 1.224 253 L HN 0.191 nan 8.230 nan 0.000 0.416 254 F N 5.873 125.725 119.950 -0.162 0.000 2.420 254 F HA 0.610 5.137 4.527 0.000 0.000 0.342 254 F C 0.138 175.600 175.800 -0.563 0.000 1.113 254 F CA -0.475 57.366 58.000 -0.264 0.000 1.059 254 F CB 1.347 40.298 39.000 -0.082 0.000 1.128 254 F HN 0.227 nan 8.300 nan 0.000 0.475 255 I N 2.820 123.188 120.570 -0.337 0.000 2.447 255 I HA 0.298 4.468 4.170 0.000 0.000 0.287 255 I C -1.318 174.598 176.117 -0.335 0.000 1.023 255 I CA -0.572 60.472 61.300 -0.426 0.000 1.083 255 I CB 1.984 39.810 38.000 -0.290 0.000 1.245 255 I HN 0.426 nan 8.210 nan 0.000 0.434 256 D N 6.294 126.466 120.400 -0.381 0.000 2.473 256 D HA 0.276 4.916 4.640 0.000 0.000 0.253 256 D C -1.328 174.949 176.300 -0.039 0.000 1.233 256 D CA -0.211 53.725 54.000 -0.106 0.000 0.908 256 D CB 1.203 42.049 40.800 0.077 0.000 1.170 256 D HN 0.449 nan 8.370 nan 0.000 0.558 257 N N 4.292 122.994 118.700 0.004 0.000 2.295 257 N HA 0.163 4.903 4.740 0.000 0.000 0.293 257 N C 0.394 175.929 175.510 0.043 0.000 1.040 257 N CA -0.497 52.573 53.050 0.034 0.000 0.840 257 N CB 1.683 40.239 38.487 0.115 0.000 1.468 257 N HN 0.281 nan 8.380 nan 0.000 0.478 258 I N 3.871 124.441 120.570 -0.001 0.000 2.676 258 I HA -0.032 4.138 4.170 0.000 0.000 0.259 258 I C 1.694 177.874 176.117 0.105 0.000 1.194 258 I CA 0.611 61.900 61.300 -0.019 0.000 1.473 258 I CB -0.609 37.309 38.000 -0.136 0.000 1.096 258 I HN 0.628 nan 8.210 nan 0.000 0.443 259 F N 1.421 121.397 119.950 0.043 0.000 2.192 259 F HA -0.240 4.287 4.527 -0.000 0.000 0.301 259 F C 2.260 178.150 175.800 0.150 0.000 1.079 259 F CA 1.515 59.591 58.000 0.126 0.000 1.303 259 F CB -0.299 38.824 39.000 0.205 0.000 1.024 259 F HN -0.021 nan 8.300 nan 0.000 0.494 260 R N -0.061 120.443 120.500 0.006 0.000 2.148 260 R HA -0.168 4.172 4.340 0.000 0.000 0.227 260 R C 2.190 178.422 176.300 -0.113 0.000 1.103 260 R CA 1.321 57.358 56.100 -0.105 0.000 0.983 260 R CB -1.628 28.696 30.300 0.041 0.000 0.874 260 R HN 0.522 nan 8.270 nan 0.000 0.451 261 F N 1.635 121.478 119.950 -0.178 0.000 2.134 261 F HA -0.180 4.347 4.527 0.000 0.000 0.299 261 F C 1.881 177.580 175.800 -0.169 0.000 1.097 261 F CA 1.627 59.540 58.000 -0.145 0.000 1.264 261 F CB -0.251 38.677 39.000 -0.120 0.000 1.001 261 F HN -0.137 nan 8.300 nan 0.000 0.479 262 T N 0.178 114.585 114.554 -0.245 0.000 2.770 262 T HA -0.200 4.150 4.350 0.000 0.000 0.263 262 T C 1.880 176.373 174.700 -0.344 0.000 1.039 262 T CA 1.390 63.284 62.100 -0.343 0.000 1.142 262 T CB -0.395 68.390 68.868 -0.138 0.000 0.868 262 T HN 0.431 nan 8.240 nan 0.000 0.435 263 Q N 0.780 120.254 119.800 -0.543 0.000 2.061 263 Q HA -0.168 4.172 4.340 0.000 0.000 0.204 263 Q C 2.504 178.372 176.000 -0.220 0.000 0.984 263 Q CA 1.716 57.284 55.803 -0.391 0.000 0.846 263 Q CB -0.331 28.083 28.738 -0.539 0.000 0.902 263 Q HN 0.530 nan 8.270 nan 0.000 0.421 264 A N 0.481 123.160 122.820 -0.234 0.000 1.883 264 A HA -0.164 4.156 4.320 0.000 0.000 0.217 264 A C 2.299 179.779 177.584 -0.174 0.000 1.186 264 A CA 1.801 53.738 52.037 -0.167 0.000 0.624 264 A CB -1.483 17.428 19.000 -0.148 0.000 0.822 264 A HN 0.629 nan 8.150 nan 0.000 0.444 265 G N -0.152 108.490 108.800 -0.264 0.000 2.442 265 G HA2 -0.257 3.703 3.960 0.000 0.000 0.219 265 G HA3 -0.257 3.703 3.960 0.000 0.000 0.219 265 G C 1.960 176.791 174.900 -0.115 0.000 1.141 265 G CA 1.931 46.899 45.100 -0.220 0.000 0.763 265 G HN 0.948 nan 8.290 nan 0.000 0.554 266 S N 0.452 116.102 115.700 -0.084 0.000 2.423 266 S HA -0.030 4.440 4.470 0.000 0.000 0.231 266 S C 1.958 176.524 174.600 -0.058 0.000 1.014 266 S CA 1.505 59.681 58.200 -0.040 0.000 0.965 266 S CB -0.262 62.918 63.200 -0.034 0.000 0.785 266 S HN 0.598 nan 8.310 nan 0.000 0.495 267 E N 0.969 121.130 120.200 -0.065 0.000 2.150 267 E HA -0.067 4.283 4.350 0.000 0.000 0.193 267 E C 2.122 178.698 176.600 -0.040 0.000 0.985 267 E CA 1.473 57.843 56.400 -0.049 0.000 0.814 267 E CB -0.248 29.425 29.700 -0.046 0.000 0.752 267 E HN 0.707 nan 8.360 nan 0.000 0.466 268 V N -2.321 117.566 119.914 -0.045 0.000 3.590 268 V HA 0.101 4.221 4.120 0.000 0.000 0.265 268 V C 2.101 178.179 176.094 -0.027 0.000 1.239 268 V CA 0.755 63.035 62.300 -0.033 0.000 1.117 268 V CB 0.650 32.452 31.823 -0.035 0.000 0.818 268 V HN 0.062 nan 8.190 nan 0.000 0.451 269 S N 1.574 117.256 115.700 -0.030 0.000 2.365 269 S HA -0.207 4.263 4.470 0.000 0.000 0.225 269 S C 2.173 176.767 174.600 -0.010 0.000 1.039 269 S CA 2.271 60.459 58.200 -0.019 0.000 1.033 269 S CB -0.485 62.708 63.200 -0.011 0.000 0.887 269 S HN 0.999 nan 8.310 nan 0.000 0.447 270 A N 1.161 123.974 122.820 -0.011 0.000 1.902 270 A HA 0.075 4.395 4.320 0.000 0.000 0.217 270 A C 2.146 179.728 177.584 -0.004 0.000 1.181 270 A CA 1.380 53.413 52.037 -0.007 0.000 0.623 270 A CB -0.736 18.259 19.000 -0.009 0.000 0.818 270 A HN 0.586 nan 8.150 nan 0.000 0.443 271 L N -0.592 120.627 121.223 -0.007 0.000 2.362 271 L HA -0.029 4.311 4.340 0.000 0.000 0.219 271 L C 1.601 178.471 176.870 -0.000 0.000 1.134 271 L CA 0.390 55.228 54.840 -0.003 0.000 0.807 271 L CB -0.325 41.731 42.059 -0.005 0.000 0.927 271 L HN 0.341 nan 8.230 nan 0.000 0.447 272 L N -0.283 120.939 121.223 -0.002 0.000 2.612 272 L HA 0.183 4.523 4.340 0.000 0.000 0.230 272 L C 1.376 178.248 176.870 0.004 0.000 1.140 272 L CA 0.414 55.255 54.840 0.002 0.000 0.896 272 L CB -0.359 41.698 42.059 -0.003 0.000 1.065 272 L HN 0.439 nan 8.230 nan 0.000 0.447 273 G N 0.542 109.345 108.800 0.004 0.000 2.136 273 G HA2 -0.277 3.683 3.960 0.000 0.000 0.242 273 G HA3 -0.277 3.683 3.960 0.000 0.000 0.242 273 G C 0.142 175.046 174.900 0.006 0.000 0.989 273 G CA -0.246 44.858 45.100 0.006 0.000 0.682 273 G HN 0.308 nan 8.290 nan 0.000 0.522 274 R N -0.176 120.328 120.500 0.006 0.000 2.410 274 R HA 0.633 4.973 4.340 0.000 0.000 0.288 274 R C 1.167 177.474 176.300 0.011 0.000 1.051 274 R CA -0.567 55.538 56.100 0.009 0.000 1.021 274 R CB 0.641 30.948 30.300 0.011 0.000 1.032 274 R HN 0.335 nan 8.270 nan 0.000 0.481 275 I N 5.486 126.064 120.570 0.013 0.000 2.618 275 I HA 0.071 4.241 4.170 0.000 0.000 0.284 275 I C -1.530 174.600 176.117 0.021 0.000 1.146 275 I CA -1.447 59.862 61.300 0.015 0.000 1.425 275 I CB 0.530 38.539 38.000 0.016 0.000 1.383 275 I HN 0.364 nan 8.210 nan 0.000 0.562 276 P HA 0.092 nan 4.420 nan 0.000 0.274 276 P C -0.355 176.973 177.300 0.046 0.000 1.231 276 P CA -0.285 62.834 63.100 0.032 0.000 0.790 276 P CB 1.299 33.011 31.700 0.020 0.000 0.951 277 S N 0.880 116.622 115.700 0.070 0.000 2.607 277 S HA 0.559 5.029 4.470 0.000 0.000 0.272 277 S C 0.194 174.851 174.600 0.095 0.000 1.166 277 S CA -0.360 57.889 58.200 0.081 0.000 1.021 277 S CB -0.077 63.181 63.200 0.097 0.000 1.113 277 S HN 0.620 nan 8.310 nan 0.000 0.531 278 A N 0.138 123.022 122.820 0.107 0.000 2.483 278 A HA 0.453 4.773 4.320 0.000 0.000 0.238 278 A C 0.772 178.460 177.584 0.174 0.000 1.070 278 A CA 0.238 52.342 52.037 0.112 0.000 0.770 278 A CB -0.586 18.474 19.000 0.099 0.000 1.008 278 A HN 1.643 nan 8.150 nan 0.000 0.497 279 V N 0.888 120.876 119.914 0.123 0.000 4.868 279 V HA -0.258 3.862 4.120 0.000 0.000 0.274 279 V C 1.589 177.661 176.094 -0.037 0.000 0.450 279 V CA 1.409 63.775 62.300 0.111 0.000 0.773 279 V CB -2.562 29.415 31.823 0.256 0.000 0.704 279 V HN 2.905 nan 8.190 nan 0.000 1.326 280 G N -2.018 106.759 108.800 -0.040 0.000 2.168 280 G HA2 -0.346 3.614 3.960 0.000 0.000 0.257 280 G HA3 -0.346 3.614 3.960 0.000 0.000 0.257 280 G C -0.195 174.597 174.900 -0.179 0.000 0.997 280 G CA 0.697 45.722 45.100 -0.126 0.000 0.708 280 G HN 0.955 nan 8.290 nan 0.000 0.520 281 Y N 0.842 121.165 120.300 0.039 0.000 2.376 281 Y HA 0.470 5.020 4.550 0.000 0.000 0.325 281 Y C 1.211 177.119 175.900 0.013 0.000 1.199 281 Y CA -0.709 57.409 58.100 0.030 0.000 1.206 281 Y CB 0.809 39.298 38.460 0.050 0.000 1.229 281 Y HN 0.357 nan 8.280 nan 0.000 0.480 282 Q N 2.755 122.673 119.800 0.197 0.000 2.349 282 Q HA -0.001 4.339 4.340 0.000 0.000 0.287 282 Q C -2.403 173.652 176.000 0.091 0.000 1.044 282 Q CA -1.195 54.666 55.803 0.097 0.000 0.918 282 Q CB 0.664 29.430 28.738 0.047 0.000 1.242 282 Q HN 0.428 nan 8.270 nan 0.000 0.405 283 P HA -0.103 nan 4.420 nan 0.000 0.220 283 P C 0.924 178.249 177.300 0.042 0.000 1.148 283 P CA 1.781 64.911 63.100 0.050 0.000 0.803 283 P CB 0.002 31.724 31.700 0.036 0.000 0.782 284 T N -3.859 110.716 114.554 0.035 0.000 3.219 284 T HA 0.121 4.471 4.350 0.000 0.000 0.249 284 T C 1.493 176.215 174.700 0.037 0.000 1.099 284 T CA -0.226 61.893 62.100 0.031 0.000 0.988 284 T CB -1.063 67.817 68.868 0.020 0.000 0.999 284 T HN -0.006 nan 8.240 nan 0.000 0.550 285 L N 0.910 122.154 121.223 0.035 0.000 2.021 285 L HA -0.136 4.204 4.340 0.000 0.000 0.215 285 L C 2.762 179.666 176.870 0.056 0.000 1.074 285 L CA 2.074 56.928 54.840 0.022 0.000 0.760 285 L CB -0.651 41.393 42.059 -0.026 0.000 0.889 285 L HN 0.410 nan 8.230 nan 0.000 0.433 286 A N -1.027 121.830 122.820 0.061 0.000 1.930 286 A HA -0.137 4.183 4.320 0.000 0.000 0.215 286 A C 2.292 179.941 177.584 0.108 0.000 1.176 286 A CA 1.682 53.775 52.037 0.092 0.000 0.632 286 A CB -0.993 18.053 19.000 0.076 0.000 0.819 286 A HN 0.615 nan 8.150 nan 0.000 0.445 287 T N -1.497 113.107 114.554 0.084 0.000 2.737 287 T HA -0.141 4.209 4.350 0.000 0.000 0.265 287 T C 1.406 176.165 174.700 0.099 0.000 1.038 287 T CA 1.374 63.522 62.100 0.081 0.000 1.144 287 T CB -0.564 68.338 68.868 0.058 0.000 0.866 287 T HN 0.312 nan 8.240 nan 0.000 0.434 288 D N 1.101 121.569 120.400 0.114 0.000 2.126 288 D HA -0.125 4.515 4.640 0.000 0.000 0.190 288 D C 1.992 178.457 176.300 0.276 0.000 1.001 288 D CA 1.304 55.419 54.000 0.192 0.000 0.841 288 D CB -0.472 40.411 40.800 0.138 0.000 0.949 288 D HN 0.371 nan 8.370 nan 0.000 0.446 289 M N 0.294 120.032 119.600 0.230 0.000 2.086 289 M HA -0.103 4.377 4.480 0.000 0.000 0.261 289 M C 2.112 178.355 176.300 -0.094 0.000 1.067 289 M CA 2.112 57.466 55.300 0.090 0.000 1.116 289 M CB -0.318 32.338 32.600 0.093 0.000 1.348 289 M HN 0.057 nan 8.290 nan 0.000 0.407 290 G N -0.636 108.189 108.800 0.042 0.000 2.440 290 G HA2 -0.298 3.662 3.960 0.000 0.000 0.218 290 G HA3 -0.298 3.662 3.960 0.000 0.000 0.218 290 G C 1.429 176.337 174.900 0.014 0.000 1.154 290 G CA 1.663 46.815 45.100 0.087 0.000 0.767 290 G HN 0.610 nan 8.290 nan 0.000 0.552 291 T N -2.237 112.330 114.554 0.022 0.000 3.023 291 T HA 0.067 4.417 4.350 0.000 0.000 0.266 291 T C 2.161 176.835 174.700 -0.043 0.000 1.093 291 T CA 1.351 63.460 62.100 0.015 0.000 1.129 291 T CB -0.050 68.850 68.868 0.054 0.000 0.899 291 T HN 0.155 nan 8.240 nan 0.000 0.491 292 M N 0.291 119.818 119.600 -0.123 0.000 2.191 292 M HA 0.055 4.535 4.480 0.000 0.000 0.262 292 M C 2.219 178.350 176.300 -0.281 0.000 1.083 292 M CA 1.319 56.462 55.300 -0.262 0.000 1.154 292 M CB -0.562 31.702 32.600 -0.561 0.000 1.344 292 M HN 0.166 nan 8.290 nan 0.000 0.431 293 Q N 0.666 120.261 119.800 -0.341 0.000 2.124 293 Q HA -0.132 4.208 4.340 0.000 0.000 0.202 293 Q C 1.713 177.612 176.000 -0.169 0.000 0.977 293 Q CA 1.236 56.824 55.803 -0.359 0.000 0.850 293 Q CB -0.403 27.882 28.738 -0.756 0.000 0.901 293 Q HN 0.573 nan 8.270 nan 0.000 0.429 294 E N 0.317 120.465 120.200 -0.086 0.000 2.409 294 E HA -0.103 4.247 4.350 0.000 0.000 0.198 294 E C 1.702 178.285 176.600 -0.029 0.000 1.024 294 E CA 0.393 56.789 56.400 -0.007 0.000 0.861 294 E CB 0.027 29.751 29.700 0.039 0.000 0.788 294 E HN 0.312 nan 8.360 nan 0.000 0.521 295 R N 0.032 120.492 120.500 -0.066 0.000 2.210 295 R HA 0.173 4.513 4.340 0.000 0.000 0.203 295 R C 0.938 177.191 176.300 -0.077 0.000 1.010 295 R CA 0.138 56.200 56.100 -0.063 0.000 1.008 295 R CB 0.251 30.506 30.300 -0.074 0.000 0.923 295 R HN 0.046 nan 8.270 nan 0.000 0.469 296 I N 1.751 122.257 120.570 -0.106 0.000 2.278 296 I HA 0.044 4.214 4.170 0.000 0.000 0.300 296 I C -0.106 175.960 176.117 -0.084 0.000 1.174 296 I CA 0.316 61.547 61.300 -0.114 0.000 1.347 296 I CB 0.550 38.452 38.000 -0.163 0.000 1.473 296 I HN -0.073 nan 8.210 nan 0.000 0.595 297 T N 2.757 117.272 114.554 -0.064 0.000 2.957 297 T HA 0.203 4.553 4.350 0.000 0.000 0.336 297 T C -0.322 174.353 174.700 -0.041 0.000 1.462 297 T CA -0.420 61.651 62.100 -0.047 0.000 1.073 297 T CB 1.404 70.255 68.868 -0.028 0.000 1.319 297 T HN 0.279 nan 8.240 nan 0.000 0.485 298 T N 3.882 118.412 114.554 -0.040 0.000 2.916 298 T HA 0.514 4.864 4.350 0.000 0.000 0.303 298 T C 0.627 175.306 174.700 -0.035 0.000 1.025 298 T CA 0.114 62.193 62.100 -0.035 0.000 1.142 298 T CB 0.455 69.303 68.868 -0.034 0.000 0.947 298 T HN 0.866 nan 8.240 nan 0.000 0.544 299 T N 0.149 114.683 114.554 -0.034 0.000 2.773 299 T HA 0.471 4.821 4.350 0.000 0.000 0.278 299 T C 1.090 175.765 174.700 -0.042 0.000 1.011 299 T CA -1.094 60.982 62.100 -0.040 0.000 1.014 299 T CB 1.414 70.261 68.868 -0.035 0.000 1.293 299 T HN 0.379 nan 8.240 nan 0.000 0.554 300 K N 0.057 120.428 120.400 -0.048 0.000 2.209 300 K HA -0.034 4.286 4.320 0.000 0.000 0.204 300 K C 2.145 178.724 176.600 -0.035 0.000 1.048 300 K CA 1.059 57.320 56.287 -0.044 0.000 0.940 300 K CB -0.102 32.368 32.500 -0.049 0.000 0.729 300 K HN 0.477 nan 8.250 nan 0.000 0.451 301 K N -0.145 120.235 120.400 -0.033 0.000 2.103 301 K HA -0.029 4.291 4.320 0.000 0.000 0.204 301 K C 0.860 177.444 176.600 -0.028 0.000 1.052 301 K CA 0.866 57.134 56.287 -0.031 0.000 0.945 301 K CB 0.328 32.808 32.500 -0.033 0.000 0.722 301 K HN 0.208 nan 8.250 nan 0.000 0.443 302 G N -0.565 108.220 108.800 -0.024 0.000 2.547 302 G HA2 0.208 4.168 3.960 0.000 0.000 0.291 302 G HA3 0.208 4.168 3.960 0.000 0.000 0.291 302 G C -1.759 173.133 174.900 -0.012 0.000 1.471 302 G CA -0.644 44.447 45.100 -0.015 0.000 0.798 302 G HN -0.049 nan 8.290 nan 0.000 0.504 303 S N -0.695 115.002 115.700 -0.005 0.000 2.475 303 S HA 0.789 5.259 4.470 0.000 0.000 0.298 303 S C -0.433 174.163 174.600 -0.007 0.000 1.119 303 S CA -0.693 57.501 58.200 -0.009 0.000 1.085 303 S CB 0.679 63.876 63.200 -0.004 0.000 1.028 303 S HN 0.525 nan 8.310 nan 0.000 0.489 304 I N 3.790 124.341 120.570 -0.031 0.000 2.410 304 I HA 0.253 4.423 4.170 0.000 0.000 0.286 304 I C -0.312 175.747 176.117 -0.097 0.000 1.009 304 I CA -0.527 60.739 61.300 -0.057 0.000 1.111 304 I CB 2.249 40.213 38.000 -0.060 0.000 1.262 304 I HN 0.515 nan 8.210 nan 0.000 0.443 305 T N 4.307 118.779 114.554 -0.138 0.000 2.727 305 T HA 0.247 4.597 4.350 0.000 0.000 0.298 305 T C 0.205 174.722 174.700 -0.305 0.000 0.942 305 T CA -0.545 61.441 62.100 -0.191 0.000 0.997 305 T CB 0.316 69.076 68.868 -0.180 0.000 0.917 305 T HN 0.651 nan 8.240 nan 0.000 0.487 306 S N 2.423 117.955 115.700 -0.281 0.000 2.437 306 S HA 0.644 5.114 4.470 0.000 0.000 0.305 306 S C -0.338 174.033 174.600 -0.381 0.000 1.109 306 S CA -0.840 57.159 58.200 -0.335 0.000 1.099 306 S CB 1.184 64.239 63.200 -0.241 0.000 1.004 306 S HN 0.381 nan 8.310 nan 0.000 0.475 307 V N 3.940 123.572 119.914 -0.469 0.000 2.378 307 V HA 0.414 4.534 4.120 0.000 0.000 0.288 307 V C -0.473 175.481 176.094 -0.233 0.000 1.016 307 V CA -0.506 61.583 62.300 -0.351 0.000 0.840 307 V CB 1.115 32.763 31.823 -0.292 0.000 0.994 307 V HN 0.951 nan 8.190 nan 0.000 0.431 308 Q N 3.299 122.966 119.800 -0.223 0.000 2.333 308 Q HA 0.723 5.063 4.340 0.000 0.000 0.268 308 Q C -0.209 175.677 176.000 -0.190 0.000 1.007 308 Q CA -0.579 55.099 55.803 -0.208 0.000 0.810 308 Q CB 2.551 31.145 28.738 -0.241 0.000 1.264 308 Q HN 0.846 nan 8.270 nan 0.000 0.452 309 A N 3.733 126.482 122.820 -0.119 0.000 2.409 309 A HA 0.477 4.797 4.320 0.000 0.000 0.262 309 A C -0.340 177.172 177.584 -0.119 0.000 1.113 309 A CA -0.128 51.861 52.037 -0.080 0.000 0.790 309 A CB -0.009 19.000 19.000 0.015 0.000 1.046 309 A HN 0.755 nan 8.150 nan 0.000 0.496 310 I N 3.113 123.562 120.570 -0.201 0.000 2.448 310 I HA 0.167 4.337 4.170 0.000 0.000 0.281 310 I C -0.656 175.412 176.117 -0.082 0.000 1.027 310 I CA -0.467 60.681 61.300 -0.253 0.000 1.111 310 I CB 1.130 38.641 38.000 -0.815 0.000 1.236 310 I HN 0.745 nan 8.210 nan 0.000 0.452 311 Y N 7.195 127.443 120.300 -0.086 0.000 2.411 311 Y HA 0.396 4.946 4.550 0.000 0.000 0.333 311 Y C -0.349 175.382 175.900 -0.282 0.000 1.186 311 Y CA -0.154 57.827 58.100 -0.197 0.000 1.381 311 Y CB 0.976 39.244 38.460 -0.320 0.000 1.273 311 Y HN 0.258 nan 8.280 nan 0.000 0.546 312 V N 8.746 128.101 119.914 -0.931 0.000 2.284 312 V HA 0.293 4.413 4.120 0.000 0.000 0.274 312 V C -2.326 173.183 176.094 -0.975 0.000 1.023 312 V CA -2.039 59.859 62.300 -0.669 0.000 0.808 312 V CB 0.774 32.446 31.823 -0.253 0.000 1.035 312 V HN 0.718 nan 8.190 nan 0.000 0.445 313 P HA 0.184 nan 4.420 nan 0.000 0.268 313 P C 0.667 177.846 177.300 -0.200 0.000 1.204 313 P CA 0.643 63.472 63.100 -0.451 0.000 0.768 313 P CB 0.800 32.472 31.700 -0.046 0.000 0.842 314 A N 3.568 126.325 122.820 -0.105 0.000 2.826 314 A HA -0.266 4.054 4.320 0.000 0.000 0.274 314 A C 0.967 178.516 177.584 -0.058 0.000 1.443 314 A CA 1.268 53.283 52.037 -0.037 0.000 0.833 314 A CB -2.619 16.383 19.000 0.004 0.000 1.023 314 A HN 0.623 nan 8.150 nan 0.000 0.600 315 D N -1.835 118.495 120.400 -0.117 0.000 3.070 315 D HA -0.185 4.455 4.640 0.000 0.000 0.220 315 D C -0.158 176.108 176.300 -0.056 0.000 1.176 315 D CA 2.118 56.065 54.000 -0.088 0.000 0.924 315 D CB -1.075 39.700 40.800 -0.042 0.000 1.124 315 D HN 0.940 nan 8.370 nan 0.000 0.411 316 D N 0.132 120.502 120.400 -0.051 0.000 2.411 316 D HA 0.229 4.869 4.640 0.000 0.000 0.225 316 D C 1.422 177.728 176.300 0.009 0.000 1.156 316 D CA -0.333 53.660 54.000 -0.011 0.000 0.874 316 D CB 0.320 41.125 40.800 0.010 0.000 1.034 316 D HN 0.100 nan 8.370 nan 0.000 0.502 317 L N 2.633 123.870 121.223 0.023 0.000 2.353 317 L HA -0.100 4.240 4.340 0.000 0.000 0.220 317 L C 2.282 179.215 176.870 0.106 0.000 1.133 317 L CA 1.311 56.199 54.840 0.079 0.000 0.798 317 L CB -0.300 41.797 42.059 0.064 0.000 0.922 317 L HN 0.499 nan 8.230 nan 0.000 0.445 318 T N -4.332 110.255 114.554 0.055 0.000 3.129 318 T HA -0.068 4.282 4.350 0.000 0.000 0.251 318 T C 0.767 175.516 174.700 0.082 0.000 1.117 318 T CA -0.398 61.735 62.100 0.054 0.000 1.034 318 T CB -0.378 68.503 68.868 0.021 0.000 0.968 318 T HN 0.187 nan 8.240 nan 0.000 0.526 319 D N 2.506 122.964 120.400 0.097 0.000 2.493 319 D HA 0.034 4.674 4.640 0.000 0.000 0.240 319 D C -1.471 174.892 176.300 0.105 0.000 1.142 319 D CA -1.439 52.643 54.000 0.136 0.000 0.872 319 D CB 1.555 42.444 40.800 0.149 0.000 1.173 319 D HN 0.047 nan 8.370 nan 0.000 0.467 320 P HA -0.199 nan 4.420 nan 0.000 0.216 320 P C 0.883 178.110 177.300 -0.121 0.000 1.154 320 P CA 1.951 65.010 63.100 -0.068 0.000 0.865 320 P CB 0.142 31.733 31.700 -0.182 0.000 0.789 321 A N 0.205 122.896 122.820 -0.215 0.000 1.835 321 A HA -0.133 4.187 4.320 0.000 0.000 0.215 321 A C 0.014 177.681 177.584 0.138 0.000 1.199 321 A CA 2.405 54.421 52.037 -0.035 0.000 0.615 321 A CB -2.304 16.838 19.000 0.236 0.000 0.838 321 A HN 0.220 nan 8.150 nan 0.000 0.444 322 P HA -0.101 nan 4.420 nan 0.000 0.217 322 P C 1.568 179.041 177.300 0.288 0.000 1.150 322 P CA 1.920 65.169 63.100 0.249 0.000 0.832 322 P CB -0.183 31.673 31.700 0.261 0.000 0.787 323 A N 0.227 123.220 122.820 0.289 0.000 1.902 323 A HA -0.142 4.178 4.320 0.000 0.000 0.217 323 A C 2.281 180.062 177.584 0.329 0.000 1.181 323 A CA 2.439 54.693 52.037 0.362 0.000 0.623 323 A CB -1.963 17.144 19.000 0.179 0.000 0.818 323 A HN 0.213 nan 8.150 nan 0.000 0.443 324 T N -0.254 114.422 114.554 0.202 0.000 3.007 324 T HA -0.056 4.294 4.350 0.000 0.000 0.270 324 T C 1.768 176.621 174.700 0.254 0.000 1.107 324 T CA 1.643 63.850 62.100 0.179 0.000 1.118 324 T CB -0.330 68.608 68.868 0.117 0.000 0.889 324 T HN 0.579 nan 8.240 nan 0.000 0.506 325 T N 1.481 116.191 114.554 0.259 0.000 2.896 325 T HA 0.091 4.441 4.350 0.000 0.000 0.263 325 T C 1.522 176.399 174.700 0.297 0.000 1.050 325 T CA 0.512 62.767 62.100 0.257 0.000 1.140 325 T CB -0.471 68.447 68.868 0.083 0.000 0.877 325 T HN 0.326 nan 8.240 nan 0.000 0.457 326 F N 2.206 122.350 119.950 0.323 0.000 2.085 326 F HA -0.216 4.311 4.527 0.000 0.000 0.299 326 F C 2.719 178.583 175.800 0.108 0.000 1.096 326 F CA 1.252 59.388 58.000 0.226 0.000 1.227 326 F CB -0.594 38.423 39.000 0.028 0.000 0.983 326 F HN 0.149 nan 8.300 nan 0.000 0.482 327 A N -1.511 121.427 122.820 0.197 0.000 2.178 327 A HA -0.175 4.145 4.320 0.000 0.000 0.218 327 A C 1.564 179.083 177.584 -0.109 0.000 1.157 327 A CA 1.265 53.299 52.037 -0.005 0.000 0.689 327 A CB -0.935 17.999 19.000 -0.110 0.000 0.787 327 A HN 0.496 nan 8.150 nan 0.000 0.465 328 H N -1.057 118.066 119.070 0.089 0.000 2.539 328 H HA 0.310 4.866 4.556 0.000 0.000 0.267 328 H C -0.013 175.328 175.328 0.022 0.000 0.982 328 H CA 0.281 56.350 56.048 0.036 0.000 1.146 328 H CB 0.007 29.769 29.762 0.001 0.000 1.382 328 H HN 0.362 nan 8.280 nan 0.000 0.577 329 L N 0.058 121.366 121.223 0.142 0.000 2.322 329 L HA 0.225 4.565 4.340 0.000 0.000 0.269 329 L C 0.782 177.700 176.870 0.081 0.000 1.012 329 L CA -0.593 54.306 54.840 0.099 0.000 0.815 329 L CB 1.729 43.870 42.059 0.136 0.000 1.295 329 L HN -0.124 nan 8.230 nan 0.000 0.438 330 D N 0.376 120.804 120.400 0.048 0.000 2.422 330 D HA 0.225 4.865 4.640 0.000 0.000 0.218 330 D C 0.147 176.491 176.300 0.074 0.000 1.047 330 D CA 0.488 54.518 54.000 0.050 0.000 0.885 330 D CB 1.117 41.932 40.800 0.025 0.000 1.035 330 D HN 0.494 nan 8.370 nan 0.000 0.502 331 A N 0.688 123.550 122.820 0.070 0.000 2.422 331 A HA 0.599 4.919 4.320 0.000 0.000 0.302 331 A C -0.454 177.218 177.584 0.147 0.000 1.041 331 A CA -0.557 51.559 52.037 0.133 0.000 0.708 331 A CB 1.541 20.664 19.000 0.204 0.000 1.257 331 A HN -0.024 nan 8.150 nan 0.000 0.414 332 T N -0.660 114.032 114.554 0.230 0.000 2.841 332 T HA 0.663 5.013 4.350 0.000 0.000 0.285 332 T C -0.522 174.366 174.700 0.313 0.000 0.991 332 T CA -0.451 61.837 62.100 0.315 0.000 0.966 332 T CB 1.200 70.313 68.868 0.408 0.000 0.962 332 T HN 0.460 nan 8.240 nan 0.000 0.438 333 T N 3.496 118.254 114.554 0.340 0.000 2.801 333 T HA 0.481 4.831 4.350 0.000 0.000 0.306 333 T C -0.048 174.840 174.700 0.314 0.000 1.020 333 T CA -0.538 61.745 62.100 0.305 0.000 0.948 333 T CB 0.743 69.810 68.868 0.332 0.000 0.962 333 T HN 0.642 nan 8.240 nan 0.000 0.465 334 V N 5.395 125.456 119.914 0.244 0.000 2.370 334 V HA 0.372 4.492 4.120 0.000 0.000 0.279 334 V C -0.269 175.917 176.094 0.153 0.000 1.029 334 V CA -0.869 61.560 62.300 0.216 0.000 0.870 334 V CB 1.085 32.987 31.823 0.132 0.000 0.984 334 V HN 0.591 nan 8.190 nan 0.000 0.451 335 L N 4.093 125.410 121.223 0.157 0.000 2.343 335 L HA 0.651 4.991 4.340 0.000 0.000 0.275 335 L C 0.266 177.179 176.870 0.072 0.000 1.056 335 L CA 0.432 55.339 54.840 0.112 0.000 0.804 335 L CB 1.736 43.874 42.059 0.132 0.000 1.203 335 L HN 0.722 nan 8.230 nan 0.000 0.440 336 S N 2.180 117.901 115.700 0.036 0.000 2.557 336 S HA 0.434 4.904 4.470 0.000 0.000 0.291 336 S C 0.860 175.454 174.600 -0.010 0.000 1.116 336 S CA -0.673 57.534 58.200 0.012 0.000 0.992 336 S CB 1.188 64.390 63.200 0.002 0.000 1.028 336 S HN 0.699 nan 8.310 nan 0.000 0.484 337 R N 3.277 123.775 120.500 -0.004 0.000 2.081 337 R HA -0.041 4.299 4.340 0.000 0.000 0.235 337 R C 2.091 178.375 176.300 -0.027 0.000 1.131 337 R CA 1.815 57.911 56.100 -0.007 0.000 0.960 337 R CB -0.639 29.663 30.300 0.004 0.000 0.856 337 R HN 0.776 nan 8.270 nan 0.000 0.436 338 A N 0.642 123.448 122.820 -0.024 0.000 2.019 338 A HA -0.122 4.198 4.320 0.000 0.000 0.219 338 A C 2.027 179.585 177.584 -0.044 0.000 1.164 338 A CA 1.234 53.255 52.037 -0.027 0.000 0.644 338 A CB -0.349 18.639 19.000 -0.020 0.000 0.805 338 A HN 0.367 nan 8.150 nan 0.000 0.449 339 I N -0.975 119.560 120.570 -0.059 0.000 2.339 339 I HA -0.113 4.057 4.170 0.000 0.000 0.245 339 I C 2.938 178.941 176.117 -0.189 0.000 1.096 339 I CA 0.760 62.006 61.300 -0.089 0.000 1.408 339 I CB -0.412 37.547 38.000 -0.069 0.000 1.092 339 I HN 0.312 nan 8.210 nan 0.000 0.423 340 A N 0.593 123.273 122.820 -0.234 0.000 1.948 340 A HA -0.301 4.019 4.320 0.000 0.000 0.220 340 A C 2.262 179.696 177.584 -0.250 0.000 1.177 340 A CA 2.143 53.931 52.037 -0.416 0.000 0.636 340 A CB -0.742 18.147 19.000 -0.186 0.000 0.815 340 A HN 0.516 nan 8.150 nan 0.000 0.449 341 E N -0.491 119.646 120.200 -0.106 0.000 2.265 341 E HA -0.135 4.215 4.350 0.000 0.000 0.196 341 E C 1.233 177.807 176.600 -0.043 0.000 0.996 341 E CA 0.725 57.100 56.400 -0.041 0.000 0.832 341 E CB -0.055 29.632 29.700 -0.022 0.000 0.756 341 E HN 0.475 nan 8.360 nan 0.000 0.491 342 L N -0.597 120.580 121.223 -0.076 0.000 2.554 342 L HA 0.148 4.488 4.340 0.000 0.000 0.226 342 L C 1.723 178.557 176.870 -0.059 0.000 1.137 342 L CA 1.319 56.121 54.840 -0.063 0.000 0.863 342 L CB -0.615 41.410 42.059 -0.056 0.000 0.985 342 L HN 0.422 nan 8.230 nan 0.000 0.451 343 G N 0.121 108.881 108.800 -0.066 0.000 2.157 343 G HA2 -0.234 3.726 3.960 0.000 0.000 0.239 343 G HA3 -0.234 3.726 3.960 0.000 0.000 0.239 343 G C 0.369 175.330 174.900 0.102 0.000 0.982 343 G CA -0.351 44.796 45.100 0.080 0.000 0.650 343 G HN 0.172 nan 8.290 nan 0.000 0.527 344 I N 1.521 122.024 120.570 -0.112 0.000 2.329 344 I HA 0.390 4.560 4.170 0.000 0.000 0.295 344 I C 0.004 175.925 176.117 -0.327 0.000 1.109 344 I CA -0.553 60.717 61.300 -0.049 0.000 1.297 344 I CB -0.717 37.268 38.000 -0.025 0.000 1.433 344 I HN 0.115 nan 8.210 nan 0.000 0.509 345 Y N 7.486 127.760 120.300 -0.043 0.000 2.446 345 Y HA 0.408 4.958 4.550 0.000 0.000 0.345 345 Y C -1.936 173.775 175.900 -0.316 0.000 0.984 345 Y CA -2.437 55.564 58.100 -0.165 0.000 1.058 345 Y CB 1.931 40.276 38.460 -0.192 0.000 1.220 345 Y HN 0.411 nan 8.280 nan 0.000 0.455 346 P HA 0.034 nan 4.420 nan 0.000 0.268 346 P C -0.440 176.860 177.300 0.000 0.000 1.205 346 P CA -0.073 63.006 63.100 -0.035 0.000 0.771 346 P CB 1.047 32.767 31.700 0.033 0.000 0.858 347 A N 3.711 126.540 122.820 0.015 0.000 2.604 347 A HA 0.183 4.503 4.320 0.000 0.000 0.248 347 A C 0.546 178.133 177.584 0.005 0.000 1.466 347 A CA -0.241 51.751 52.037 -0.076 0.000 1.222 347 A CB -1.198 17.730 19.000 -0.120 0.000 0.945 347 A HN 0.381 nan 8.150 nan 0.000 0.600 348 V N 1.240 121.173 119.914 0.032 0.000 2.508 348 V HA 0.039 4.159 4.120 0.000 0.000 0.281 348 V C 0.402 176.516 176.094 0.033 0.000 1.041 348 V CA -0.465 61.870 62.300 0.058 0.000 1.016 348 V CB 1.094 32.962 31.823 0.074 0.000 0.984 348 V HN 0.578 nan 8.190 nan 0.000 0.478 349 D N 8.042 128.466 120.400 0.041 0.000 2.344 349 D HA 0.162 4.802 4.640 0.000 0.000 0.253 349 D C -1.347 174.965 176.300 0.021 0.000 1.255 349 D CA -1.968 52.047 54.000 0.025 0.000 0.894 349 D CB 1.810 42.623 40.800 0.023 0.000 1.067 349 D HN 0.271 nan 8.370 nan 0.000 0.492 350 P HA -0.039 nan 4.420 nan 0.000 0.226 350 P C 0.918 178.210 177.300 -0.013 0.000 1.153 350 P CA 0.604 63.699 63.100 -0.009 0.000 0.777 350 P CB 0.288 31.976 31.700 -0.019 0.000 0.794 351 L N -0.915 120.304 121.223 -0.007 0.000 2.872 351 L HA 0.329 4.669 4.340 0.000 0.000 0.245 351 L C 0.723 177.580 176.870 -0.022 0.000 1.211 351 L CA 0.270 55.100 54.840 -0.016 0.000 1.013 351 L CB -0.063 41.988 42.059 -0.014 0.000 1.326 351 L HN -0.170 nan 8.230 nan 0.000 0.525 352 D N -0.824 119.570 120.400 -0.011 0.000 2.640 352 D HA 0.096 4.736 4.640 0.000 0.000 0.282 352 D C -0.289 176.023 176.300 0.020 0.000 1.558 352 D CA 0.183 54.172 54.000 -0.018 0.000 0.820 352 D CB 0.835 41.619 40.800 -0.026 0.000 1.243 352 D HN -0.088 nan 8.370 nan 0.000 0.456 353 S N -0.012 115.710 115.700 0.038 0.000 2.473 353 S HA 0.708 5.178 4.470 0.000 0.000 0.307 353 S C -0.090 174.551 174.600 0.069 0.000 1.094 353 S CA -0.629 57.622 58.200 0.084 0.000 1.070 353 S CB 1.790 65.048 63.200 0.095 0.000 1.019 353 S HN 0.251 nan 8.310 nan 0.000 0.480 354 T N -0.832 113.783 114.554 0.102 0.000 2.916 354 T HA 0.830 5.180 4.350 0.000 0.000 0.292 354 T C -0.580 174.188 174.700 0.112 0.000 1.064 354 T CA -0.925 61.224 62.100 0.081 0.000 1.011 354 T CB 1.842 70.747 68.868 0.063 0.000 1.152 354 T HN 0.434 nan 8.240 nan 0.000 0.510 355 S N -0.671 115.082 115.700 0.088 0.000 2.572 355 S HA 0.371 4.841 4.470 0.000 0.000 0.274 355 S C 0.787 175.430 174.600 0.072 0.000 1.150 355 S CA -0.819 57.440 58.200 0.099 0.000 0.944 355 S CB 1.831 65.098 63.200 0.111 0.000 1.071 355 S HN 0.920 nan 8.310 nan 0.000 0.479 356 R N 2.815 123.356 120.500 0.069 0.000 2.170 356 R HA -0.077 4.263 4.340 0.000 0.000 0.242 356 R C 1.618 177.942 176.300 0.041 0.000 1.145 356 R CA 2.374 58.504 56.100 0.051 0.000 0.984 356 R CB -0.502 29.825 30.300 0.045 0.000 0.869 356 R HN 0.836 nan 8.270 nan 0.000 0.455 357 I N -1.963 118.632 120.570 0.042 0.000 3.793 357 I HA 0.180 4.350 4.170 0.000 0.000 0.315 357 I C 0.333 176.455 176.117 0.009 0.000 1.275 357 I CA -0.331 60.983 61.300 0.024 0.000 1.214 357 I CB 0.173 38.188 38.000 0.025 0.000 1.018 357 I HN -0.023 nan 8.210 nan 0.000 0.439 358 M N 3.267 122.886 119.600 0.032 0.000 2.618 358 M HA 0.310 4.790 4.480 0.000 0.000 0.322 358 M C -1.009 175.399 176.300 0.180 0.000 1.471 358 M CA -0.002 55.333 55.300 0.058 0.000 1.450 358 M CB -1.181 31.443 32.600 0.040 0.000 1.444 358 M HN 0.307 nan 8.290 nan 0.000 0.471 359 D N 5.690 126.166 120.400 0.127 0.000 2.871 359 D HA 0.294 4.934 4.640 0.000 0.000 0.209 359 D C -2.571 173.634 176.300 -0.159 0.000 1.292 359 D CA -1.024 52.938 54.000 -0.063 0.000 0.869 359 D CB 2.214 42.982 40.800 -0.053 0.000 1.663 359 D HN 0.194 nan 8.370 nan 0.000 0.557 360 P HA -0.098 nan 4.420 nan 0.000 0.219 360 P C 0.782 178.010 177.300 -0.121 0.000 1.146 360 P CA 0.764 63.706 63.100 -0.263 0.000 0.808 360 P CB 0.489 31.946 31.700 -0.404 0.000 0.779 361 N N -0.497 118.127 118.700 -0.126 0.000 2.459 361 N HA 0.001 4.741 4.740 0.000 0.000 0.181 361 N C 1.816 177.303 175.510 -0.039 0.000 1.046 361 N CA 0.839 53.847 53.050 -0.069 0.000 0.904 361 N CB -0.095 38.351 38.487 -0.069 0.000 0.964 361 N HN 0.333 nan 8.380 nan 0.000 0.444 362 I N -0.411 120.136 120.570 -0.037 0.000 3.136 362 I HA -0.053 4.117 4.170 0.000 0.000 0.262 362 I C 1.896 178.012 176.117 -0.002 0.000 1.132 362 I CA 0.272 61.563 61.300 -0.015 0.000 1.450 362 I CB 0.012 38.003 38.000 -0.014 0.000 1.315 362 I HN -0.130 nan 8.210 nan 0.000 0.460 363 V N -0.823 119.078 119.914 -0.021 0.000 3.541 363 V HA 0.515 4.635 4.120 0.000 0.000 0.267 363 V C 0.881 177.017 176.094 0.070 0.000 1.213 363 V CA 0.246 62.537 62.300 -0.016 0.000 1.149 363 V CB -1.144 30.507 31.823 -0.287 0.000 0.822 363 V HN 0.519 nan 8.190 nan 0.000 0.462 364 G N 0.832 109.662 108.800 0.050 0.000 2.692 364 G HA2 -0.118 3.842 3.960 0.000 0.000 0.686 364 G HA3 -0.118 3.842 3.960 0.000 0.000 0.686 364 G C 0.427 175.392 174.900 0.107 0.000 1.243 364 G CA 0.350 45.494 45.100 0.072 0.000 0.782 364 G HN 1.380 nan 8.290 nan 0.000 0.625 365 S N -0.339 115.413 115.700 0.086 0.000 2.402 365 S HA -0.072 4.398 4.470 0.000 0.000 0.229 365 S C 1.838 176.539 174.600 0.168 0.000 1.021 365 S CA 1.842 60.109 58.200 0.112 0.000 0.974 365 S CB -0.062 63.176 63.200 0.062 0.000 0.800 365 S HN 1.030 nan 8.310 nan 0.000 0.484 366 E N 0.871 121.158 120.200 0.145 0.000 2.051 366 E HA -0.265 4.085 4.350 0.000 0.000 0.192 366 E C 2.060 178.778 176.600 0.196 0.000 0.991 366 E CA 1.343 57.829 56.400 0.143 0.000 0.799 366 E CB -0.453 29.313 29.700 0.111 0.000 0.748 366 E HN 0.879 nan 8.360 nan 0.000 0.449 367 H N -1.620 117.508 119.070 0.097 0.000 2.326 367 H HA -0.182 4.374 4.556 0.000 0.000 0.301 367 H C 2.071 177.450 175.328 0.085 0.000 1.081 367 H CA 1.417 57.515 56.048 0.083 0.000 1.334 367 H CB -0.072 29.737 29.762 0.078 0.000 1.385 367 H HN 0.286 nan 8.280 nan 0.000 0.504 368 Y N 1.686 122.050 120.300 0.108 0.000 2.114 368 Y HA -0.256 4.294 4.550 0.000 0.000 0.284 368 Y C 2.044 177.975 175.900 0.053 0.000 1.143 368 Y CA 2.059 60.171 58.100 0.021 0.000 1.135 368 Y CB -0.347 38.103 38.460 -0.016 0.000 0.980 368 Y HN 0.315 nan 8.280 nan 0.000 0.499 369 D N -0.509 120.009 120.400 0.196 0.000 2.104 369 D HA -0.198 4.442 4.640 0.000 0.000 0.194 369 D C 2.388 178.699 176.300 0.019 0.000 0.994 369 D CA 1.826 55.885 54.000 0.098 0.000 0.830 369 D CB -0.599 40.280 40.800 0.132 0.000 0.959 369 D HN 0.307 nan 8.370 nan 0.000 0.452 370 V N 1.296 121.246 119.914 0.059 0.000 2.295 370 V HA -0.244 3.876 4.120 0.000 0.000 0.246 370 V C 2.507 178.596 176.094 -0.009 0.000 1.049 370 V CA 1.777 64.109 62.300 0.053 0.000 1.024 370 V CB -0.930 30.950 31.823 0.095 0.000 0.648 370 V HN 0.199 nan 8.190 nan 0.000 0.447 371 A N 0.257 123.057 122.820 -0.033 0.000 1.859 371 A HA -0.244 4.076 4.320 0.000 0.000 0.217 371 A C 2.334 179.815 177.584 -0.172 0.000 1.198 371 A CA 1.941 53.911 52.037 -0.112 0.000 0.629 371 A CB -0.530 18.404 19.000 -0.112 0.000 0.830 371 A HN 0.404 nan 8.150 nan 0.000 0.446 372 R N -0.539 119.802 120.500 -0.265 0.000 2.115 372 R HA -0.076 4.264 4.340 0.000 0.000 0.230 372 R C 2.341 178.575 176.300 -0.111 0.000 1.111 372 R CA 1.190 57.148 56.100 -0.238 0.000 0.976 372 R CB -1.697 28.394 30.300 -0.349 0.000 0.870 372 R HN 0.560 nan 8.270 nan 0.000 0.445 373 G N 0.468 109.226 108.800 -0.070 0.000 2.421 373 G HA2 -0.209 3.751 3.960 0.000 0.000 0.216 373 G HA3 -0.209 3.751 3.960 0.000 0.000 0.216 373 G C 1.585 176.478 174.900 -0.011 0.000 1.171 373 G CA 0.869 45.957 45.100 -0.019 0.000 0.775 373 G HN 0.174 nan 8.290 nan 0.000 0.543 374 V N 0.647 120.549 119.914 -0.020 0.000 2.287 374 V HA -0.277 3.843 4.120 0.000 0.000 0.248 374 V C 2.929 179.006 176.094 -0.028 0.000 1.053 374 V CA 2.386 64.675 62.300 -0.017 0.000 1.027 374 V CB -0.630 31.139 31.823 -0.089 0.000 0.646 374 V HN 0.456 nan 8.190 nan 0.000 0.447 375 Q N -0.502 119.265 119.800 -0.056 0.000 2.167 375 Q HA -0.222 4.118 4.340 0.000 0.000 0.202 375 Q C 2.358 178.346 176.000 -0.019 0.000 0.970 375 Q CA 1.519 57.296 55.803 -0.044 0.000 0.855 375 Q CB -0.192 28.506 28.738 -0.067 0.000 0.911 375 Q HN 0.587 nan 8.270 nan 0.000 0.438 376 K N 1.104 121.492 120.400 -0.020 0.000 2.001 376 K HA -0.136 4.184 4.320 0.000 0.000 0.208 376 K C 2.013 178.623 176.600 0.017 0.000 1.048 376 K CA 0.979 57.264 56.287 -0.003 0.000 0.932 376 K CB -0.140 32.357 32.500 -0.004 0.000 0.715 376 K HN 0.163 nan 8.250 nan 0.000 0.437 377 I N 1.169 121.751 120.570 0.021 0.000 2.335 377 I HA -0.276 3.894 4.170 0.000 0.000 0.251 377 I C 1.863 178.021 176.117 0.068 0.000 1.129 377 I CA 1.021 62.343 61.300 0.036 0.000 1.402 377 I CB 0.125 38.138 38.000 0.021 0.000 1.069 377 I HN 0.245 nan 8.210 nan 0.000 0.424 378 L N -0.280 120.979 121.223 0.060 0.000 2.131 378 L HA -0.185 4.155 4.340 0.000 0.000 0.206 378 L C 2.524 179.458 176.870 0.107 0.000 1.087 378 L CA 0.869 55.768 54.840 0.099 0.000 0.767 378 L CB -0.546 41.550 42.059 0.061 0.000 0.917 378 L HN 0.280 nan 8.230 nan 0.000 0.441 379 Q N 0.528 120.361 119.800 0.054 0.000 2.016 379 Q HA -0.215 4.125 4.340 0.000 0.000 0.200 379 Q C 1.742 177.764 176.000 0.037 0.000 0.978 379 Q CA 1.856 57.677 55.803 0.031 0.000 0.833 379 Q CB -0.141 28.602 28.738 0.008 0.000 0.895 379 Q HN 0.324 nan 8.270 nan 0.000 0.427 380 D N -0.886 119.545 120.400 0.051 0.000 2.133 380 D HA -0.201 4.439 4.640 0.000 0.000 0.195 380 D C 1.643 177.995 176.300 0.087 0.000 0.997 380 D CA 1.383 55.416 54.000 0.055 0.000 0.840 380 D CB -0.486 40.348 40.800 0.056 0.000 0.947 380 D HN 0.360 nan 8.370 nan 0.000 0.452 381 Y N 1.687 121.982 120.300 -0.008 0.000 2.145 381 Y HA -0.194 4.356 4.550 0.000 0.000 0.286 381 Y C 2.238 178.132 175.900 -0.009 0.000 1.145 381 Y CA 1.718 59.814 58.100 -0.007 0.000 1.148 381 Y CB -0.210 38.246 38.460 -0.006 0.000 0.981 381 Y HN -0.169 nan 8.280 nan 0.000 0.507 382 K N -0.614 119.718 120.400 -0.113 0.000 2.103 382 K HA -0.154 4.166 4.320 0.000 0.000 0.207 382 K C 2.157 178.651 176.600 -0.177 0.000 1.048 382 K CA 1.679 57.847 56.287 -0.197 0.000 0.930 382 K CB -0.243 32.221 32.500 -0.061 0.000 0.716 382 K HN 0.287 nan 8.250 nan 0.000 0.444 383 S N 0.742 116.380 115.700 -0.103 0.000 2.461 383 S HA 0.033 4.503 4.470 0.000 0.000 0.228 383 S C 1.663 176.208 174.600 -0.090 0.000 1.005 383 S CA 0.496 58.648 58.200 -0.079 0.000 0.942 383 S CB 0.049 63.224 63.200 -0.042 0.000 0.776 383 S HN 0.245 nan 8.310 nan 0.000 0.514 384 L N 0.956 122.111 121.223 -0.114 0.000 2.162 384 L HA -0.037 4.303 4.340 0.000 0.000 0.205 384 L C 2.466 179.240 176.870 -0.160 0.000 1.086 384 L CA 0.613 55.393 54.840 -0.101 0.000 0.778 384 L CB -0.490 41.543 42.059 -0.042 0.000 0.928 384 L HN 0.296 nan 8.230 nan 0.000 0.446 385 Q N 0.518 120.132 119.800 -0.311 0.000 1.880 385 Q HA -0.318 4.022 4.340 0.000 0.000 0.243 385 Q C 1.750 177.654 176.000 -0.160 0.000 1.047 385 Q CA 2.356 57.964 55.803 -0.325 0.000 0.893 385 Q CB -0.375 28.122 28.738 -0.402 0.000 0.999 385 Q HN 0.465 nan 8.270 nan 0.000 0.419 386 D N 0.098 120.420 120.400 -0.131 0.000 2.203 386 D HA -0.176 4.464 4.640 0.000 0.000 0.199 386 D C 1.892 178.156 176.300 -0.060 0.000 0.997 386 D CA 1.161 55.112 54.000 -0.081 0.000 0.863 386 D CB -0.289 40.469 40.800 -0.070 0.000 0.928 386 D HN 0.341 nan 8.370 nan 0.000 0.458 387 I N 1.119 121.652 120.570 -0.062 0.000 2.202 387 I HA -0.203 3.967 4.170 0.000 0.000 0.242 387 I C 2.517 178.615 176.117 -0.032 0.000 1.091 387 I CA 0.886 62.161 61.300 -0.042 0.000 1.368 387 I CB -0.264 37.713 38.000 -0.038 0.000 1.058 387 I HN 0.008 nan 8.210 nan 0.000 0.410 388 I N -1.306 119.242 120.570 -0.036 0.000 3.251 388 I HA 0.112 4.282 4.170 0.000 0.000 0.277 388 I C 2.389 178.497 176.117 -0.015 0.000 1.268 388 I CA 0.765 62.054 61.300 -0.017 0.000 1.449 388 I CB -0.418 37.581 38.000 -0.002 0.000 1.083 388 I HN -0.016 nan 8.210 nan 0.000 0.464 389 A N 1.425 124.228 122.820 -0.027 0.000 2.119 389 A HA 0.105 4.425 4.320 0.000 0.000 0.217 389 A C 2.238 179.812 177.584 -0.015 0.000 1.153 389 A CA 1.282 53.307 52.037 -0.021 0.000 0.692 389 A CB -0.473 18.507 19.000 -0.033 0.000 0.799 389 A HN 0.574 nan 8.150 nan 0.000 0.458 390 I N -1.786 118.775 120.570 -0.016 0.000 3.194 390 I HA 0.065 4.235 4.170 0.000 0.000 0.271 390 I C 1.702 177.814 176.117 -0.008 0.000 1.150 390 I CA 0.395 61.688 61.300 -0.012 0.000 1.440 390 I CB 0.144 38.135 38.000 -0.014 0.000 1.276 390 I HN 0.165 nan 8.210 nan 0.000 0.457 391 L N 0.725 121.943 121.223 -0.009 0.000 2.558 391 L HA 0.290 4.630 4.340 0.000 0.000 0.225 391 L C 0.792 177.662 176.870 -0.001 0.000 1.128 391 L CA 0.205 55.042 54.840 -0.005 0.000 0.868 391 L CB -0.378 41.677 42.059 -0.006 0.000 1.006 391 L HN 0.401 nan 8.230 nan 0.000 0.454 392 G N -0.497 108.303 108.800 0.000 0.000 2.662 392 G HA2 -0.261 3.699 3.960 0.000 0.000 0.686 392 G HA3 -0.261 3.699 3.960 0.000 0.000 0.686 392 G C -0.138 174.768 174.900 0.010 0.000 1.271 392 G CA -0.105 44.998 45.100 0.005 0.000 0.816 392 G HN -0.055 nan 8.290 nan 0.000 0.608 393 M N 0.111 119.720 119.600 0.015 0.000 2.193 393 M HA 0.127 4.607 4.480 0.000 0.000 0.265 393 M C 1.941 178.252 176.300 0.018 0.000 1.071 393 M CA 2.446 57.760 55.300 0.022 0.000 1.140 393 M CB -0.243 32.373 32.600 0.027 0.000 1.369 393 M HN 0.549 nan 8.290 nan 0.000 0.423 394 D N 0.302 120.710 120.400 0.014 0.000 2.351 394 D HA -0.125 4.515 4.640 0.000 0.000 0.216 394 D C 1.368 177.674 176.300 0.011 0.000 0.968 394 D CA 0.725 54.732 54.000 0.012 0.000 0.899 394 D CB -0.179 40.627 40.800 0.010 0.000 0.907 394 D HN 0.458 nan 8.370 nan 0.000 0.514 395 E N -0.001 120.205 120.200 0.010 0.000 2.478 395 E HA 0.074 4.424 4.350 0.000 0.000 0.194 395 E C 0.890 177.496 176.600 0.010 0.000 1.045 395 E CA -0.102 56.303 56.400 0.008 0.000 0.868 395 E CB 0.525 30.228 29.700 0.005 0.000 0.885 395 E HN 0.364 nan 8.360 nan 0.000 0.505 396 L N 1.016 122.247 121.223 0.014 0.000 2.436 396 L HA 0.080 4.420 4.340 0.000 0.000 0.265 396 L C 0.954 177.833 176.870 0.015 0.000 1.168 396 L CA -0.199 54.651 54.840 0.016 0.000 0.815 396 L CB 0.867 42.941 42.059 0.024 0.000 1.109 396 L HN -0.079 nan 8.230 nan 0.000 0.462 397 S N 0.648 116.357 115.700 0.014 0.000 2.585 397 S HA 0.012 4.482 4.470 0.000 0.000 0.273 397 S C 1.004 175.613 174.600 0.014 0.000 1.339 397 S CA -0.562 57.645 58.200 0.012 0.000 1.028 397 S CB 0.661 63.867 63.200 0.011 0.000 0.906 397 S HN 0.584 nan 8.310 nan 0.000 0.528 398 E N 2.386 122.592 120.200 0.012 0.000 2.515 398 E HA -0.064 4.286 4.350 0.000 0.000 0.201 398 E C 0.939 177.546 176.600 0.011 0.000 1.071 398 E CA 0.771 57.178 56.400 0.012 0.000 0.880 398 E CB 0.085 29.791 29.700 0.009 0.000 0.828 398 E HN 0.702 nan 8.360 nan 0.000 0.540 399 E N -0.365 119.842 120.200 0.012 0.000 2.399 399 E HA 0.018 4.368 4.350 0.000 0.000 0.205 399 E C 1.344 177.953 176.600 0.016 0.000 0.906 399 E CA -0.126 56.281 56.400 0.011 0.000 0.998 399 E CB 0.373 30.079 29.700 0.009 0.000 1.002 399 E HN 0.098 nan 8.360 nan 0.000 0.501 400 D N 2.067 122.479 120.400 0.020 0.000 2.117 400 D HA -0.145 4.495 4.640 0.000 0.000 0.198 400 D C 1.720 178.042 176.300 0.037 0.000 0.982 400 D CA 1.166 55.183 54.000 0.028 0.000 0.828 400 D CB 0.116 40.932 40.800 0.027 0.000 0.967 400 D HN 0.195 nan 8.370 nan 0.000 0.464 401 K N 0.324 120.743 120.400 0.030 0.000 2.486 401 K HA -0.023 4.297 4.320 0.000 0.000 0.194 401 K C 1.893 178.504 176.600 0.019 0.000 1.033 401 K CA 0.233 56.539 56.287 0.033 0.000 1.004 401 K CB 0.084 32.601 32.500 0.029 0.000 0.798 401 K HN -0.011 nan 8.250 nan 0.000 0.495 402 L N 2.305 123.536 121.223 0.013 0.000 2.209 402 L HA -0.037 4.303 4.340 0.000 0.000 0.207 402 L C 2.340 179.205 176.870 -0.008 0.000 1.094 402 L CA 1.805 56.646 54.840 0.002 0.000 0.790 402 L CB -0.351 41.711 42.059 0.005 0.000 0.932 402 L HN 0.496 nan 8.230 nan 0.000 0.447 403 T N -5.041 109.516 114.554 0.004 0.000 2.985 403 T HA -0.063 4.287 4.350 0.000 0.000 0.266 403 T C 1.845 176.532 174.700 -0.021 0.000 1.076 403 T CA 1.134 63.234 62.100 -0.000 0.000 1.135 403 T CB -0.640 68.245 68.868 0.028 0.000 0.890 403 T HN 0.052 nan 8.240 nan 0.000 0.480 404 V N 2.787 122.706 119.914 0.008 0.000 2.261 404 V HA -0.163 3.957 4.120 0.000 0.000 0.246 404 V C 3.257 179.248 176.094 -0.172 0.000 1.047 404 V CA 2.153 64.441 62.300 -0.020 0.000 1.015 404 V CB -1.049 30.839 31.823 0.108 0.000 0.642 404 V HN 0.786 nan 8.190 nan 0.000 0.446 405 S N 0.595 116.240 115.700 -0.092 0.000 2.356 405 S HA -0.249 4.221 4.470 0.000 0.000 0.223 405 S C 2.105 176.613 174.600 -0.153 0.000 1.032 405 S CA 1.562 59.700 58.200 -0.103 0.000 1.005 405 S CB -0.512 62.662 63.200 -0.043 0.000 0.867 405 S HN 0.555 nan 8.310 nan 0.000 0.449 406 R N 1.354 121.775 120.500 -0.132 0.000 2.081 406 R HA 0.103 4.443 4.340 0.000 0.000 0.235 406 R C 2.814 179.002 176.300 -0.188 0.000 1.131 406 R CA 1.256 57.264 56.100 -0.153 0.000 0.960 406 R CB -0.814 29.433 30.300 -0.089 0.000 0.856 406 R HN 0.595 nan 8.270 nan 0.000 0.436 407 A N 1.231 123.925 122.820 -0.210 0.000 1.902 407 A HA -0.172 4.148 4.320 0.000 0.000 0.217 407 A C 2.071 179.449 177.584 -0.343 0.000 1.181 407 A CA 1.257 53.138 52.037 -0.259 0.000 0.623 407 A CB -0.362 18.439 19.000 -0.332 0.000 0.818 407 A HN 0.212 nan 8.150 nan 0.000 0.443 408 R N -0.400 119.828 120.500 -0.453 0.000 2.115 408 R HA -0.081 4.259 4.340 0.000 0.000 0.230 408 R C 2.108 178.299 176.300 -0.183 0.000 1.111 408 R CA 1.534 57.429 56.100 -0.341 0.000 0.976 408 R CB -0.194 29.925 30.300 -0.302 0.000 0.870 408 R HN 0.524 nan 8.270 nan 0.000 0.445 409 K N 0.325 120.581 120.400 -0.240 0.000 2.062 409 K HA -0.030 4.290 4.320 0.000 0.000 0.205 409 K C 2.001 178.425 176.600 -0.292 0.000 1.051 409 K CA 1.013 57.074 56.287 -0.377 0.000 0.941 409 K CB -0.009 32.022 32.500 -0.782 0.000 0.719 409 K HN 0.112 nan 8.250 nan 0.000 0.440 410 I N 1.565 122.032 120.570 -0.172 0.000 2.286 410 I HA -0.297 3.873 4.170 0.000 0.000 0.248 410 I C 2.349 178.575 176.117 0.182 0.000 1.115 410 I CA 1.296 62.644 61.300 0.080 0.000 1.392 410 I CB -0.200 37.877 38.000 0.128 0.000 1.065 410 I HN 0.226 nan 8.210 nan 0.000 0.418 411 Q N 0.284 120.122 119.800 0.064 0.000 2.135 411 Q HA -0.235 4.105 4.340 0.000 0.000 0.204 411 Q C 2.335 178.416 176.000 0.136 0.000 0.981 411 Q CA 1.554 57.407 55.803 0.083 0.000 0.856 411 Q CB -0.100 28.654 28.738 0.027 0.000 0.902 411 Q HN 0.489 nan 8.270 nan 0.000 0.425 412 R N -0.804 119.792 120.500 0.160 0.000 2.100 412 R HA -0.034 4.306 4.340 0.000 0.000 0.220 412 R C 1.835 178.297 176.300 0.270 0.000 1.091 412 R CA 0.680 56.934 56.100 0.256 0.000 0.986 412 R CB -0.120 30.361 30.300 0.302 0.000 0.888 412 R HN 0.140 nan 8.270 nan 0.000 0.444 413 F N 1.101 121.109 119.950 0.097 0.000 2.502 413 F HA 0.029 4.556 4.527 0.000 0.000 0.298 413 F C 1.402 177.308 175.800 0.177 0.000 1.111 413 F CA 0.863 58.882 58.000 0.031 0.000 1.445 413 F CB 0.094 38.956 39.000 -0.231 0.000 1.081 413 F HN -0.073 nan 8.300 nan 0.000 0.558 414 L N -0.390 120.992 121.223 0.266 0.000 2.395 414 L HA -0.044 4.296 4.340 0.000 0.000 0.218 414 L C 1.542 178.421 176.870 0.015 0.000 1.130 414 L CA 0.424 55.375 54.840 0.186 0.000 0.826 414 L CB -0.796 41.352 42.059 0.149 0.000 0.941 414 L HN 0.144 nan 8.230 nan 0.000 0.451 415 S N -0.325 115.371 115.700 -0.006 0.000 2.600 415 S HA 0.309 4.779 4.470 0.000 0.000 0.265 415 S C -0.286 174.200 174.600 -0.190 0.000 1.325 415 S CA -0.437 57.705 58.200 -0.097 0.000 1.002 415 S CB 1.822 64.969 63.200 -0.088 0.000 0.921 415 S HN 0.280 nan 8.310 nan 0.000 0.554 416 Q N 0.463 120.111 119.800 -0.253 0.000 2.443 416 Q HA 0.332 4.672 4.340 0.000 0.000 0.258 416 Q C -3.089 172.746 176.000 -0.275 0.000 0.967 416 Q CA -1.723 53.943 55.803 -0.227 0.000 0.951 416 Q CB 2.195 30.869 28.738 -0.106 0.000 1.459 416 Q HN 0.560 nan 8.270 nan 0.000 0.415 417 P HA 0.085 nan 4.420 nan 0.000 0.271 417 P C -0.899 176.483 177.300 0.136 0.000 1.233 417 P CA 0.521 63.572 63.100 -0.082 0.000 0.764 417 P CB 0.063 31.733 31.700 -0.050 0.000 0.825 418 F N 1.514 121.472 119.950 0.014 0.000 2.375 418 F HA 0.144 4.671 4.527 -0.000 0.000 0.333 418 F C 2.302 178.116 175.800 0.023 0.000 1.104 418 F CA -0.734 57.282 58.000 0.026 0.000 1.149 418 F CB 1.527 40.556 39.000 0.049 0.000 1.190 418 F HN 0.343 nan 8.300 nan 0.000 0.533 419 Q N 1.640 121.550 119.800 0.184 0.000 2.084 419 Q HA -0.149 4.191 4.340 0.000 0.000 0.202 419 Q C 1.638 177.680 176.000 0.070 0.000 0.978 419 Q CA 1.965 57.818 55.803 0.083 0.000 0.844 419 Q CB -0.089 28.664 28.738 0.025 0.000 0.898 419 Q HN 0.660 nan 8.270 nan 0.000 0.426 420 V N -2.352 117.614 119.914 0.087 0.000 3.510 420 V HA 0.250 4.370 4.120 0.000 0.000 0.270 420 V C 1.372 177.547 176.094 0.135 0.000 1.201 420 V CA 1.063 63.410 62.300 0.078 0.000 1.166 420 V CB -0.390 31.472 31.823 0.066 0.000 0.825 420 V HN 0.350 nan 8.190 nan 0.000 0.484 421 A N -0.421 122.521 122.820 0.204 0.000 2.503 421 A HA 0.355 4.675 4.320 0.000 0.000 0.263 421 A C 1.685 179.318 177.584 0.082 0.000 1.258 421 A CA 0.137 52.333 52.037 0.264 0.000 0.936 421 A CB -0.207 18.998 19.000 0.342 0.000 1.070 421 A HN 0.526 nan 8.150 nan 0.000 0.522 422 E N 0.243 120.441 120.200 -0.003 0.000 2.118 422 E HA -0.185 4.165 4.350 0.000 0.000 0.195 422 E C 1.920 178.438 176.600 -0.136 0.000 0.992 422 E CA 1.693 58.072 56.400 -0.035 0.000 0.804 422 E CB -0.418 29.263 29.700 -0.032 0.000 0.741 422 E HN 0.633 nan 8.360 nan 0.000 0.458 423 V N -1.262 118.454 119.914 -0.330 0.000 2.828 423 V HA -0.218 3.902 4.120 0.000 0.000 0.260 423 V C 1.672 177.483 176.094 -0.472 0.000 1.101 423 V CA 1.558 63.568 62.300 -0.483 0.000 1.123 423 V CB -0.859 30.527 31.823 -0.729 0.000 0.704 423 V HN 0.161 nan 8.190 nan 0.000 0.493 424 F N 1.301 121.240 119.950 -0.017 0.000 2.602 424 F HA 0.119 4.646 4.527 -0.000 0.000 0.284 424 F C 2.581 178.373 175.800 -0.012 0.000 1.111 424 F CA 0.749 58.726 58.000 -0.037 0.000 1.405 424 F CB -0.247 38.691 39.000 -0.103 0.000 1.121 424 F HN 0.224 nan 8.300 nan 0.000 0.603 425 T N -3.455 111.197 114.554 0.163 0.000 3.039 425 T HA 0.333 4.683 4.350 0.000 0.000 0.250 425 T C 1.924 176.725 174.700 0.169 0.000 1.052 425 T CA 0.711 62.934 62.100 0.205 0.000 1.125 425 T CB 0.038 69.040 68.868 0.225 0.000 0.908 425 T HN 0.376 nan 8.240 nan 0.000 0.473 426 G N 1.294 110.119 108.800 0.041 0.000 2.168 426 G HA2 -0.231 3.729 3.960 0.000 0.000 0.263 426 G HA3 -0.231 3.729 3.960 0.000 0.000 0.263 426 G C -0.133 174.649 174.900 -0.197 0.000 0.977 426 G CA 0.483 45.533 45.100 -0.084 0.000 0.659 426 G HN 0.812 nan 8.290 nan 0.000 0.533 427 H N -1.436 117.630 119.070 -0.007 0.000 2.573 427 H HA 0.678 5.234 4.556 0.000 0.000 0.351 427 H C 0.195 175.518 175.328 -0.008 0.000 1.163 427 H CA -0.934 55.107 56.048 -0.012 0.000 1.205 427 H CB 1.559 31.305 29.762 -0.027 0.000 1.605 427 H HN 0.173 nan 8.280 nan 0.000 0.525 428 L N 1.496 122.787 121.223 0.113 0.000 2.426 428 L HA 0.284 4.624 4.340 0.000 0.000 0.271 428 L C 0.942 177.860 176.870 0.079 0.000 1.169 428 L CA 0.305 55.185 54.840 0.067 0.000 0.836 428 L CB 0.559 42.642 42.059 0.041 0.000 1.112 428 L HN 0.859 nan 8.230 nan 0.000 0.465 429 G N 3.495 112.337 108.800 0.070 0.000 2.432 429 G HA2 0.267 4.227 3.960 0.000 0.000 0.239 429 G HA3 0.267 4.227 3.960 0.000 0.000 0.239 429 G C -0.508 174.434 174.900 0.070 0.000 1.291 429 G CA -0.437 44.716 45.100 0.088 0.000 0.863 429 G HN 0.438 nan 8.290 nan 0.000 0.560 430 K N 0.845 121.297 120.400 0.086 0.000 2.371 430 K HA 0.498 4.818 4.320 0.000 0.000 0.251 430 K C -1.147 175.494 176.600 0.069 0.000 0.934 430 K CA -0.751 55.572 56.287 0.059 0.000 0.798 430 K CB 2.688 35.207 32.500 0.032 0.000 1.204 430 K HN 0.399 nan 8.250 nan 0.000 0.427 431 L N 2.130 123.378 121.223 0.042 0.000 2.406 431 L HA 0.446 4.786 4.340 0.000 0.000 0.272 431 L C -1.339 175.547 176.870 0.027 0.000 0.980 431 L CA -0.854 54.006 54.840 0.034 0.000 0.831 431 L CB 1.684 43.755 42.059 0.020 0.000 1.253 431 L HN 0.236 nan 8.230 nan 0.000 0.406 432 V N 5.881 125.810 119.914 0.025 0.000 2.357 432 V HA 0.460 4.580 4.120 0.000 0.000 0.284 432 V C -2.099 174.010 176.094 0.026 0.000 1.018 432 V CA -1.701 60.614 62.300 0.026 0.000 0.841 432 V CB 1.321 33.153 31.823 0.014 0.000 0.991 432 V HN 0.660 nan 8.190 nan 0.000 0.437 433 P HA 0.117 nan 4.420 nan 0.000 0.269 433 P C 0.818 178.132 177.300 0.024 0.000 1.215 433 P CA -0.389 62.727 63.100 0.026 0.000 0.780 433 P CB 0.782 32.499 31.700 0.029 0.000 0.898 434 L N 3.149 124.378 121.223 0.010 0.000 1.997 434 L HA -0.250 4.090 4.340 0.000 0.000 0.216 434 L C 1.897 178.755 176.870 -0.020 0.000 1.074 434 L CA 2.109 56.938 54.840 -0.019 0.000 0.763 434 L CB -0.891 41.158 42.059 -0.015 0.000 0.890 434 L HN 0.255 nan 8.230 nan 0.000 0.434 435 K N -0.543 119.861 120.400 0.007 0.000 2.103 435 K HA -0.227 4.093 4.320 0.000 0.000 0.207 435 K C 2.121 178.751 176.600 0.051 0.000 1.048 435 K CA 1.579 57.879 56.287 0.021 0.000 0.930 435 K CB -0.185 32.334 32.500 0.031 0.000 0.716 435 K HN 0.425 nan 8.250 nan 0.000 0.444 436 E N 0.421 120.658 120.200 0.062 0.000 2.106 436 E HA -0.095 4.255 4.350 0.000 0.000 0.192 436 E C 1.734 178.427 176.600 0.154 0.000 0.984 436 E CA 1.556 58.013 56.400 0.096 0.000 0.806 436 E CB -0.081 29.669 29.700 0.084 0.000 0.750 436 E HN 0.154 nan 8.360 nan 0.000 0.458 437 T N 0.583 115.224 114.554 0.146 0.000 2.674 437 T HA -0.133 4.217 4.350 0.000 0.000 0.265 437 T C 1.890 176.800 174.700 0.351 0.000 1.039 437 T CA 1.591 63.844 62.100 0.255 0.000 1.150 437 T CB -0.336 68.620 68.868 0.145 0.000 0.864 437 T HN 0.139 nan 8.240 nan 0.000 0.427 438 I N 0.986 121.646 120.570 0.150 0.000 2.118 438 I HA -0.240 3.931 4.170 0.000 0.000 0.241 438 I C 2.656 178.884 176.117 0.185 0.000 1.070 438 I CA 1.527 62.899 61.300 0.120 0.000 1.327 438 I CB -0.356 37.635 38.000 -0.016 0.000 1.034 438 I HN 0.197 nan 8.210 nan 0.000 0.405 439 K N 1.047 121.533 120.400 0.144 0.000 2.063 439 K HA -0.184 4.136 4.320 0.000 0.000 0.208 439 K C 2.131 178.816 176.600 0.142 0.000 1.048 439 K CA 1.771 58.133 56.287 0.125 0.000 0.928 439 K CB -0.460 32.098 32.500 0.097 0.000 0.713 439 K HN 0.413 nan 8.250 nan 0.000 0.442 440 G N 0.471 109.375 108.800 0.172 0.000 2.459 440 G HA2 -0.237 3.723 3.960 0.000 0.000 0.217 440 G HA3 -0.237 3.723 3.960 0.000 0.000 0.217 440 G C 1.284 176.155 174.900 -0.048 0.000 1.183 440 G CA 0.828 45.956 45.100 0.046 0.000 0.776 440 G HN 0.296 nan 8.290 nan 0.000 0.552 441 F N 0.573 120.656 119.950 0.222 0.000 2.186 441 F HA 0.009 4.536 4.527 -0.000 0.000 0.299 441 F C 2.906 178.751 175.800 0.075 0.000 1.090 441 F CA 1.466 59.557 58.000 0.152 0.000 1.307 441 F CB -0.264 38.829 39.000 0.154 0.000 1.019 441 F HN 0.160 nan 8.300 nan 0.000 0.489 442 Q N 0.249 120.188 119.800 0.232 0.000 2.096 442 Q HA -0.259 4.081 4.340 0.000 0.000 0.204 442 Q C 2.184 178.231 176.000 0.078 0.000 0.982 442 Q CA 1.791 57.674 55.803 0.133 0.000 0.850 442 Q CB -0.095 28.709 28.738 0.111 0.000 0.901 442 Q HN 0.498 nan 8.270 nan 0.000 0.422 443 Q N -0.053 119.791 119.800 0.073 0.000 2.020 443 Q HA -0.156 4.184 4.340 0.000 0.000 0.202 443 Q C 2.182 178.187 176.000 0.009 0.000 0.982 443 Q CA 1.557 57.374 55.803 0.024 0.000 0.838 443 Q CB -0.108 28.695 28.738 0.108 0.000 0.899 443 Q HN 0.469 nan 8.270 nan 0.000 0.423 444 I N 0.737 121.352 120.570 0.074 0.000 2.163 444 I HA -0.323 3.847 4.170 0.000 0.000 0.243 444 I C 2.199 178.309 176.117 -0.011 0.000 1.085 444 I CA 1.210 62.523 61.300 0.022 0.000 1.347 444 I CB -0.345 37.563 38.000 -0.153 0.000 1.044 444 I HN 0.217 nan 8.210 nan 0.000 0.408 445 L N 0.502 121.738 121.223 0.021 0.000 2.191 445 L HA -0.156 4.184 4.340 0.000 0.000 0.212 445 L C 2.535 179.407 176.870 0.003 0.000 1.103 445 L CA 1.047 55.900 54.840 0.021 0.000 0.769 445 L CB -0.512 41.578 42.059 0.052 0.000 0.908 445 L HN 0.251 nan 8.230 nan 0.000 0.438 446 A N -0.747 122.069 122.820 -0.008 0.000 2.238 446 A HA 0.289 4.609 4.320 0.000 0.000 0.208 446 A C 1.723 179.281 177.584 -0.043 0.000 1.177 446 A CA 0.740 52.763 52.037 -0.024 0.000 0.804 446 A CB -0.324 18.658 19.000 -0.030 0.000 0.823 446 A HN 0.507 nan 8.150 nan 0.000 0.482 447 G N -0.598 108.175 108.800 -0.045 0.000 2.141 447 G HA2 -0.251 3.709 3.960 0.000 0.000 0.242 447 G HA3 -0.251 3.709 3.960 0.000 0.000 0.242 447 G C 0.457 175.314 174.900 -0.070 0.000 0.982 447 G CA 0.469 45.546 45.100 -0.039 0.000 0.662 447 G HN 0.577 nan 8.290 nan 0.000 0.527 448 E N -1.000 119.087 120.200 -0.187 0.000 2.409 448 E HA 0.014 4.364 4.350 0.000 0.000 0.198 448 E C 0.735 177.077 176.600 -0.430 0.000 1.024 448 E CA 0.836 57.000 56.400 -0.393 0.000 0.861 448 E CB -0.044 29.276 29.700 -0.633 0.000 0.788 448 E HN 0.811 nan 8.360 nan 0.000 0.521 449 Y N -0.762 119.626 120.300 0.146 0.000 2.721 449 Y HA 0.126 4.676 4.550 0.000 0.000 0.251 449 Y C 0.698 176.666 175.900 0.113 0.000 1.136 449 Y CA -0.654 57.536 58.100 0.151 0.000 1.142 449 Y CB 0.742 39.321 38.460 0.198 0.000 1.212 449 Y HN -0.103 nan 8.280 nan 0.000 0.565 450 D N 0.142 120.699 120.400 0.261 0.000 2.309 450 D HA -0.161 4.479 4.640 0.000 0.000 0.212 450 D C 1.921 178.336 176.300 0.193 0.000 0.968 450 D CA 1.364 55.464 54.000 0.165 0.000 0.882 450 D CB -0.050 40.812 40.800 0.102 0.000 0.918 450 D HN 0.626 nan 8.370 nan 0.000 0.503 451 H N -0.441 118.688 119.070 0.097 0.000 2.525 451 H HA 0.108 4.664 4.556 0.000 0.000 0.275 451 H C 0.929 176.313 175.328 0.094 0.000 0.984 451 H CA -0.068 56.026 56.048 0.077 0.000 1.264 451 H CB -0.411 29.384 29.762 0.056 0.000 1.432 451 H HN 0.066 nan 8.280 nan 0.000 0.549 452 L N 3.565 124.606 121.223 -0.303 0.000 2.417 452 L HA 0.257 4.597 4.340 0.000 0.000 0.268 452 L C -2.006 174.874 176.870 0.017 0.000 1.158 452 L CA -1.950 52.770 54.840 -0.200 0.000 0.819 452 L CB 0.585 42.483 42.059 -0.269 0.000 1.112 452 L HN 0.055 nan 8.230 nan 0.000 0.458 453 P HA 0.075 nan 4.420 nan 0.000 0.275 453 P C 0.303 177.684 177.300 0.135 0.000 1.228 453 P CA -0.301 62.825 63.100 0.043 0.000 0.786 453 P CB 1.131 32.832 31.700 0.002 0.000 0.927 454 E N 1.037 121.325 120.200 0.148 0.000 2.095 454 E HA -0.303 4.047 4.350 0.000 0.000 0.212 454 E C 1.835 178.571 176.600 0.228 0.000 1.044 454 E CA 1.694 58.208 56.400 0.190 0.000 0.857 454 E CB -0.109 29.633 29.700 0.069 0.000 0.764 454 E HN 0.419 nan 8.360 nan 0.000 0.462 455 Q N -0.678 119.188 119.800 0.110 0.000 2.248 455 Q HA -0.170 4.170 4.340 0.000 0.000 0.208 455 Q C 1.996 178.049 176.000 0.089 0.000 0.984 455 Q CA 1.249 57.115 55.803 0.104 0.000 0.875 455 Q CB -0.347 28.422 28.738 0.053 0.000 0.910 455 Q HN 0.368 nan 8.270 nan 0.000 0.433 456 A N -0.385 122.408 122.820 -0.044 0.000 1.978 456 A HA -0.145 4.175 4.320 0.000 0.000 0.220 456 A C 1.611 178.986 177.584 -0.349 0.000 1.170 456 A CA 1.088 52.966 52.037 -0.265 0.000 0.636 456 A CB -0.684 18.015 19.000 -0.501 0.000 0.810 456 A HN 0.329 nan 8.150 nan 0.000 0.448 457 F N -2.594 117.347 119.950 -0.016 0.000 2.710 457 F HA 0.147 4.674 4.527 0.000 0.000 0.298 457 F C 0.793 176.672 175.800 0.133 0.000 1.137 457 F CA -0.114 57.904 58.000 0.031 0.000 1.444 457 F CB -0.244 38.750 39.000 -0.011 0.000 1.111 457 F HN 0.287 nan 8.300 nan 0.000 0.580 458 Y N 1.527 121.901 120.300 0.123 0.000 2.393 458 Y HA 0.332 4.882 4.550 -0.000 0.000 0.338 458 Y C 0.690 176.578 175.900 -0.019 0.000 1.029 458 Y CA -1.652 56.483 58.100 0.060 0.000 1.239 458 Y CB 0.346 38.830 38.460 0.039 0.000 1.170 458 Y HN 0.161 nan 8.280 nan 0.000 0.515 459 M N 5.122 124.344 119.600 -0.630 0.000 2.347 459 M HA -0.152 4.328 4.480 0.000 0.000 0.198 459 M C -1.751 174.297 176.300 -0.420 0.000 0.549 459 M CA 1.148 55.997 55.300 -0.752 0.000 0.481 459 M CB -1.552 30.287 32.600 -1.267 0.000 1.393 459 M HN 0.483 nan 8.290 nan 0.000 0.905 460 V N -2.502 117.284 119.914 -0.213 0.000 3.156 460 V HA 1.111 5.231 4.120 0.000 0.000 0.311 460 V C 0.811 176.857 176.094 -0.081 0.000 1.208 460 V CA -0.201 62.037 62.300 -0.102 0.000 1.063 460 V CB 1.362 33.173 31.823 -0.021 0.000 1.098 460 V HN 0.467 nan 8.190 nan 0.000 0.452 461 G N 0.053 108.838 108.800 -0.025 0.000 2.964 461 G HA2 0.444 4.404 3.960 0.000 0.000 0.191 461 G HA3 0.444 4.404 3.960 0.000 0.000 0.191 461 G C -2.189 172.728 174.900 0.028 0.000 1.978 461 G CA -0.150 44.937 45.100 -0.022 0.000 0.861 461 G HN 0.778 nan 8.290 nan 0.000 0.584 462 P HA 0.170 nan 4.420 nan 0.000 0.274 462 P C 0.712 178.159 177.300 0.245 0.000 1.246 462 P CA -0.565 62.642 63.100 0.178 0.000 0.795 462 P CB 1.700 33.458 31.700 0.097 0.000 1.006 463 I N 1.376 122.085 120.570 0.231 0.000 2.264 463 I HA -0.275 3.895 4.170 0.000 0.000 0.248 463 I C 1.874 177.869 176.117 -0.203 0.000 1.111 463 I CA 1.849 63.057 61.300 -0.153 0.000 1.382 463 I CB -0.726 37.088 38.000 -0.309 0.000 1.060 463 I HN 0.296 nan 8.210 nan 0.000 0.418 464 E N 0.507 120.661 120.200 -0.075 0.000 2.209 464 E HA -0.241 4.109 4.350 0.000 0.000 0.196 464 E C 2.074 178.614 176.600 -0.101 0.000 0.993 464 E CA 1.457 57.812 56.400 -0.076 0.000 0.819 464 E CB -0.242 29.449 29.700 -0.016 0.000 0.745 464 E HN 0.603 nan 8.360 nan 0.000 0.477 465 E N -0.139 120.019 120.200 -0.071 0.000 2.152 465 E HA -0.101 4.250 4.350 0.000 0.000 0.192 465 E C 1.998 178.507 176.600 -0.152 0.000 0.983 465 E CA 0.762 57.119 56.400 -0.072 0.000 0.818 465 E CB -0.069 29.620 29.700 -0.018 0.000 0.758 465 E HN 0.293 nan 8.360 nan 0.000 0.467 466 A N 1.002 123.669 122.820 -0.256 0.000 1.930 466 A HA -0.103 4.217 4.320 0.000 0.000 0.217 466 A C 2.476 179.731 177.584 -0.549 0.000 1.175 466 A CA 0.842 52.577 52.037 -0.504 0.000 0.627 466 A CB -0.456 18.032 19.000 -0.854 0.000 0.815 466 A HN 0.085 nan 8.150 nan 0.000 0.443 467 V N -0.015 119.633 119.914 -0.445 0.000 2.261 467 V HA -0.252 3.868 4.120 0.000 0.000 0.246 467 V C 3.062 179.043 176.094 -0.188 0.000 1.047 467 V CA 1.990 64.109 62.300 -0.301 0.000 1.015 467 V CB -1.341 30.381 31.823 -0.169 0.000 0.642 467 V HN 0.593 nan 8.190 nan 0.000 0.446 468 A N -0.205 122.529 122.820 -0.144 0.000 1.902 468 A HA -0.276 4.044 4.320 0.000 0.000 0.217 468 A C 2.352 179.879 177.584 -0.095 0.000 1.181 468 A CA 2.268 54.251 52.037 -0.091 0.000 0.623 468 A CB -0.511 18.451 19.000 -0.063 0.000 0.818 468 A HN 0.538 nan 8.150 nan 0.000 0.443 469 K N -0.313 120.012 120.400 -0.126 0.000 2.057 469 K HA -0.070 4.250 4.320 0.000 0.000 0.207 469 K C 2.126 178.657 176.600 -0.115 0.000 1.049 469 K CA 1.173 57.398 56.287 -0.105 0.000 0.931 469 K CB -0.356 32.077 32.500 -0.112 0.000 0.714 469 K HN 0.351 nan 8.250 nan 0.000 0.440 470 A N 1.542 124.255 122.820 -0.179 0.000 1.986 470 A HA -0.230 4.090 4.320 0.000 0.000 0.220 470 A C 1.528 179.058 177.584 -0.090 0.000 1.171 470 A CA 2.196 54.137 52.037 -0.160 0.000 0.640 470 A CB -0.555 18.306 19.000 -0.231 0.000 0.811 470 A HN 0.424 nan 8.150 nan 0.000 0.451 471 D N -0.577 119.778 120.400 -0.075 0.000 2.091 471 D HA -0.096 4.544 4.640 0.000 0.000 0.199 471 D C 1.892 178.173 176.300 -0.031 0.000 0.980 471 D CA 1.263 55.238 54.000 -0.042 0.000 0.831 471 D CB -0.374 40.405 40.800 -0.034 0.000 0.987 471 D HN 0.441 nan 8.370 nan 0.000 0.460 472 K N 0.471 120.851 120.400 -0.033 0.000 2.059 472 K HA -0.161 4.159 4.320 0.000 0.000 0.212 472 K C 2.217 178.808 176.600 -0.015 0.000 1.050 472 K CA 0.965 57.240 56.287 -0.020 0.000 0.927 472 K CB -0.328 32.161 32.500 -0.017 0.000 0.714 472 K HN 0.132 nan 8.250 nan 0.000 0.447 473 L N 0.065 121.275 121.223 -0.022 0.000 2.131 473 L HA -0.178 4.162 4.340 0.000 0.000 0.210 473 L C 2.508 179.371 176.870 -0.011 0.000 1.092 473 L CA 0.999 55.830 54.840 -0.014 0.000 0.759 473 L CB -0.478 41.568 42.059 -0.022 0.000 0.903 473 L HN 0.261 nan 8.230 nan 0.000 0.435 474 A N -0.883 121.928 122.820 -0.015 0.000 1.940 474 A HA -0.138 4.182 4.320 0.000 0.000 0.219 474 A C 0.994 178.576 177.584 -0.003 0.000 1.176 474 A CA 1.674 53.706 52.037 -0.008 0.000 0.631 474 A CB -0.096 18.900 19.000 -0.007 0.000 0.814 474 A HN 0.457 nan 8.150 nan 0.000 0.446 475 E N 0.000 120.198 120.200 -0.004 0.000 2.725 475 E HA 0.000 4.350 4.350 0.000 0.000 0.291 475 E CA 0.000 56.399 56.400 -0.002 0.000 0.976 475 E CB 0.000 29.700 29.700 -0.000 0.000 0.812 475 E HN 0.000 nan 8.360 nan 0.000 0.440