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 2v8v_1_D DATA FIRST_RESID 19 DATA SEQUENCE TLNLPAAAPL SIASGRLNQT ILETGSQFGG VARWGQESHE FGMRRLAGTA DATA SEQUENCE LDGAMRDWFT NECESLGCKV KVDKIGNMFA VYPGKNGGKP TATGSHLDTQ DATA SEQUENCE PEAGKYDGIL GVLAGLEVLR TFKDNNYVPN YDVCVVVWFN EEGARFARSC DATA SEQUENCE TGSSVWSHDL SLEEAYGLMS VGEDKPESVY DSLKNIGYIG DTPASYKENE DATA SEQUENCE IDAHFELHIE QGPILEDENK AIGIVTGVQA YNWQKVTVHG VGAHAGTTPW DATA SEQUENCE RLRKDALLMS SKMIVAASEI AQRHNGLFTC GIIDAKPYSV NIIPGEVSFT DATA SEQUENCE LDFAHPSDDV LATMLKEAAA EFDRLIKIND GGALSYESET LQVSPAVNFH DATA SEQUENCE EVCIECVSRS AFAQFKKDQV RQIWSGAGHD SCQTAPHVPT SMIFIPSKDG DATA SEQUENCE LSHNYYEYSS PEEIENGFKV LLQAIINYDN YRVIR 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 19 T HA 0.000 nan 4.350 nan 0.000 0.228 19 T C 0.000 174.714 174.700 0.023 0.000 1.109 19 T CA 0.000 62.116 62.100 0.026 0.000 1.349 19 T CB 0.000 68.888 68.868 0.033 0.000 0.612 20 L N 0.784 122.017 121.223 0.017 0.000 2.803 20 L HA 0.378 4.719 4.340 0.001 0.000 0.246 20 L C 0.423 177.344 176.870 0.086 0.000 1.100 20 L CA -0.333 54.519 54.840 0.021 0.000 0.919 20 L CB 0.189 42.182 42.059 -0.110 0.000 1.285 20 L HN 0.587 nan 8.230 nan 0.000 0.522 21 N N 2.467 121.203 118.700 0.059 0.000 2.568 21 N HA -0.132 4.609 4.740 0.001 0.000 0.277 21 N C -0.961 174.596 175.510 0.079 0.000 1.200 21 N CA 0.884 53.972 53.050 0.063 0.000 0.702 21 N CB -0.749 37.774 38.487 0.061 0.000 0.889 21 N HN 0.350 nan 8.380 nan 0.000 0.546 22 L N -0.819 120.447 121.223 0.071 0.000 2.277 22 L HA 0.869 5.210 4.340 0.001 0.000 0.254 22 L C -1.865 175.041 176.870 0.060 0.000 1.044 22 L CA -1.427 53.461 54.840 0.080 0.000 0.842 22 L CB 1.009 43.128 42.059 0.100 0.000 1.422 22 L HN -0.063 nan 8.230 nan 0.000 0.422 23 P HA 0.362 nan 4.420 nan 0.000 0.282 23 P C -0.869 176.458 177.300 0.045 0.000 1.287 23 P CA -0.512 62.617 63.100 0.048 0.000 0.792 23 P CB 0.879 32.609 31.700 0.050 0.000 1.163 24 A N 0.516 123.357 122.820 0.036 0.000 2.395 24 A HA 0.488 4.809 4.320 0.001 0.000 0.286 24 A C 0.744 178.346 177.584 0.030 0.000 1.193 24 A CA -0.265 51.789 52.037 0.029 0.000 0.852 24 A CB -1.032 17.980 19.000 0.021 0.000 1.118 24 A HN 0.685 nan 8.150 nan 0.000 0.524 25 A N 2.903 125.737 122.820 0.023 0.000 2.567 25 A HA 0.437 4.758 4.320 0.001 0.000 0.240 25 A C 1.025 178.605 177.584 -0.008 0.000 1.053 25 A CA 0.415 52.460 52.037 0.013 0.000 0.755 25 A CB -0.292 18.701 19.000 -0.010 0.000 0.978 25 A HN 2.151 nan 8.150 nan 0.000 0.507 26 A N 4.966 127.782 122.820 -0.006 0.000 2.522 26 A HA 0.506 4.827 4.320 0.001 0.000 0.256 26 A C -2.172 175.348 177.584 -0.107 0.000 1.086 26 A CA -0.912 51.109 52.037 -0.028 0.000 0.763 26 A CB -0.552 18.477 19.000 0.049 0.000 1.024 26 A HN 0.644 nan 8.150 nan 0.000 0.502 27 P HA 0.473 nan 4.420 nan 0.000 0.287 27 P C -0.945 176.311 177.300 -0.074 0.000 1.281 27 P CA -0.014 63.040 63.100 -0.078 0.000 0.781 27 P CB 0.762 32.431 31.700 -0.052 0.000 0.903 28 L N 1.830 122.998 121.223 -0.090 0.000 2.334 28 L HA 0.511 4.852 4.340 0.001 0.000 0.276 28 L C 0.577 177.436 176.870 -0.018 0.000 1.014 28 L CA -0.896 53.911 54.840 -0.053 0.000 0.815 28 L CB 1.805 43.822 42.059 -0.069 0.000 1.268 28 L HN 0.314 nan 8.230 nan 0.000 0.428 29 S N 2.898 118.604 115.700 0.011 0.000 2.545 29 S HA 0.632 5.103 4.470 0.001 0.000 0.275 29 S C -0.306 174.325 174.600 0.050 0.000 1.299 29 S CA -0.779 57.435 58.200 0.023 0.000 1.048 29 S CB 0.891 64.104 63.200 0.022 0.000 0.938 29 S HN 0.567 nan 8.310 nan 0.000 0.496 30 I N -0.470 120.141 120.570 0.069 0.000 2.562 30 I HA 0.788 4.959 4.170 0.001 0.000 0.301 30 I C 0.014 176.171 176.117 0.067 0.000 1.003 30 I CA -1.507 59.862 61.300 0.114 0.000 1.127 30 I CB 1.604 39.763 38.000 0.265 0.000 1.304 30 I HN 0.696 nan 8.210 nan 0.000 0.446 31 A N 4.545 127.387 122.820 0.036 0.000 2.545 31 A HA 0.253 4.574 4.320 0.001 0.000 0.297 31 A C 0.511 178.094 177.584 -0.001 0.000 1.340 31 A CA -0.058 51.985 52.037 0.009 0.000 1.016 31 A CB -0.509 18.486 19.000 -0.008 0.000 1.122 31 A HN 0.800 nan 8.150 nan 0.000 0.537 32 S N 2.399 118.109 115.700 0.016 0.000 2.525 32 S HA 0.416 4.887 4.470 0.001 0.000 0.285 32 S C 1.537 176.139 174.600 0.003 0.000 1.283 32 S CA 1.021 59.233 58.200 0.019 0.000 1.072 32 S CB -0.042 63.173 63.200 0.026 0.000 0.867 32 S HN 2.266 nan 8.310 nan 0.000 0.492 33 G N 4.644 113.442 108.800 -0.004 0.000 2.199 33 G HA2 -0.310 3.651 3.960 0.001 0.000 0.254 33 G HA3 -0.310 3.651 3.960 0.001 0.000 0.254 33 G C 0.919 175.804 174.900 -0.025 0.000 0.982 33 G CA 0.630 45.726 45.100 -0.006 0.000 0.632 33 G HN 0.751 nan 8.290 nan 0.000 0.529 34 R N -0.083 120.385 120.500 -0.053 0.000 2.092 34 R HA 0.161 4.502 4.340 0.001 0.000 0.231 34 R C 2.526 178.776 176.300 -0.083 0.000 1.119 34 R CA 1.876 57.940 56.100 -0.059 0.000 0.970 34 R CB -0.308 29.949 30.300 -0.071 0.000 0.864 34 R HN 0.527 nan 8.270 nan 0.000 0.440 35 L N 1.418 122.545 121.223 -0.161 0.000 2.017 35 L HA -0.150 4.191 4.340 0.001 0.000 0.208 35 L C 1.805 178.637 176.870 -0.063 0.000 1.073 35 L CA 2.172 56.911 54.840 -0.168 0.000 0.745 35 L CB -0.933 40.947 42.059 -0.299 0.000 0.894 35 L HN 0.256 nan 8.230 nan 0.000 0.432 36 N N -1.245 117.434 118.700 -0.035 0.000 2.043 36 N HA -0.245 4.496 4.740 0.001 0.000 0.193 36 N C 1.867 177.394 175.510 0.027 0.000 1.037 36 N CA 1.575 54.636 53.050 0.018 0.000 0.851 36 N CB -0.090 38.412 38.487 0.025 0.000 1.027 36 N HN 0.367 nan 8.380 nan 0.000 0.422 37 Q N -0.354 119.456 119.800 0.017 0.000 2.077 37 Q HA -0.145 4.195 4.340 0.001 0.000 0.206 37 Q C 2.076 178.083 176.000 0.012 0.000 0.989 37 Q CA 1.971 57.787 55.803 0.021 0.000 0.853 37 Q CB -1.054 27.694 28.738 0.017 0.000 0.907 37 Q HN 0.512 nan 8.270 nan 0.000 0.418 38 T N 1.477 116.037 114.554 0.010 0.000 2.821 38 T HA -0.045 4.306 4.350 0.001 0.000 0.267 38 T C 2.070 176.750 174.700 -0.034 0.000 1.046 38 T CA 0.860 62.970 62.100 0.017 0.000 1.139 38 T CB -0.193 68.725 68.868 0.083 0.000 0.871 38 T HN 0.194 nan 8.240 nan 0.000 0.454 39 I N 0.860 121.416 120.570 -0.024 0.000 2.226 39 I HA -0.142 4.029 4.170 0.001 0.000 0.245 39 I C 2.192 178.269 176.117 -0.066 0.000 1.100 39 I CA 1.291 62.557 61.300 -0.056 0.000 1.374 39 I CB -0.382 37.596 38.000 -0.036 0.000 1.057 39 I HN 0.205 nan 8.210 nan 0.000 0.413 40 L N -0.157 121.060 121.223 -0.010 0.000 2.179 40 L HA -0.129 4.212 4.340 0.001 0.000 0.208 40 L C 2.377 179.294 176.870 0.077 0.000 1.096 40 L CA 1.159 56.042 54.840 0.072 0.000 0.779 40 L CB -0.540 41.588 42.059 0.115 0.000 0.922 40 L HN 0.222 nan 8.230 nan 0.000 0.443 41 E N 0.078 120.262 120.200 -0.027 0.000 2.046 41 E HA -0.171 4.180 4.350 0.001 0.000 0.190 41 E C 2.202 178.679 176.600 -0.205 0.000 0.982 41 E CA 1.954 58.287 56.400 -0.113 0.000 0.800 41 E CB -0.009 29.630 29.700 -0.102 0.000 0.756 41 E HN 0.526 nan 8.360 nan 0.000 0.449 42 T N -1.535 112.875 114.554 -0.239 0.000 2.746 42 T HA -0.108 4.243 4.350 0.001 0.000 0.267 42 T C 2.099 176.748 174.700 -0.085 0.000 1.039 42 T CA 1.070 63.007 62.100 -0.272 0.000 1.142 42 T CB -0.892 67.713 68.868 -0.438 0.000 0.866 42 T HN 0.219 nan 8.240 nan 0.000 0.444 43 G N 0.872 109.660 108.800 -0.020 0.000 2.440 43 G HA2 -0.237 3.724 3.960 0.001 0.000 0.218 43 G HA3 -0.237 3.724 3.960 0.001 0.000 0.218 43 G C 1.902 176.880 174.900 0.131 0.000 1.154 43 G CA 1.206 46.374 45.100 0.114 0.000 0.767 43 G HN 0.578 nan 8.290 nan 0.000 0.552 44 S N -0.442 115.224 115.700 -0.057 0.000 2.356 44 S HA -0.140 4.330 4.470 0.001 0.000 0.223 44 S C 2.342 176.671 174.600 -0.452 0.000 1.032 44 S CA 1.842 59.701 58.200 -0.568 0.000 1.005 44 S CB -0.314 62.524 63.200 -0.602 0.000 0.867 44 S HN 0.491 nan 8.310 nan 0.000 0.449 45 Q N -1.284 118.235 119.800 -0.467 0.000 2.230 45 Q HA 0.077 4.418 4.340 0.001 0.000 0.202 45 Q C -0.513 174.974 176.000 -0.856 0.000 0.963 45 Q CA 0.760 56.118 55.803 -0.741 0.000 0.866 45 Q CB 0.186 28.302 28.738 -1.037 0.000 0.931 45 Q HN 0.631 nan 8.270 nan 0.000 0.452 46 F N -0.862 118.993 119.950 -0.159 0.000 2.584 46 F HA 0.366 4.894 4.527 0.001 0.000 0.328 46 F C 0.481 176.236 175.800 -0.075 0.000 1.407 46 F CA -0.131 57.802 58.000 -0.112 0.000 1.145 46 F CB 1.733 40.658 39.000 -0.125 0.000 1.440 46 F HN 0.036 nan 8.300 nan 0.000 0.580 47 G N 0.181 109.016 108.800 0.058 0.000 2.183 47 G HA2 -0.143 3.818 3.960 0.001 0.000 0.168 47 G HA3 -0.143 3.818 3.960 0.001 0.000 0.168 47 G C 0.466 175.384 174.900 0.031 0.000 1.008 47 G CA -0.538 44.591 45.100 0.049 0.000 0.677 47 G HN 0.906 nan 8.290 nan 0.000 0.498 48 G N 0.179 108.966 108.800 -0.022 0.000 2.313 48 G HA2 0.623 4.584 3.960 0.001 0.000 0.250 48 G HA3 0.623 4.584 3.960 0.001 0.000 0.250 48 G C 0.374 175.227 174.900 -0.079 0.000 1.281 48 G CA 0.861 45.948 45.100 -0.022 0.000 0.917 48 G HN 1.663 nan 8.290 nan 0.000 0.501 49 V N -0.744 119.154 119.914 -0.027 0.000 3.160 49 V HA 0.850 4.971 4.120 0.001 0.000 0.310 49 V C 0.800 176.762 176.094 -0.219 0.000 1.181 49 V CA -0.458 61.765 62.300 -0.129 0.000 1.047 49 V CB 1.095 32.850 31.823 -0.113 0.000 1.068 49 V HN 2.533 nan 8.190 nan 0.000 0.441 50 A N 0.190 122.880 122.820 -0.218 0.000 2.745 50 A HA -0.243 4.078 4.320 0.001 0.000 0.296 50 A C 0.774 178.323 177.584 -0.058 0.000 1.500 50 A CA 1.392 53.306 52.037 -0.205 0.000 0.766 50 A CB -1.843 16.828 19.000 -0.548 0.000 1.030 50 A HN 1.578 nan 8.150 nan 0.000 0.489 51 R N -0.749 119.709 120.500 -0.071 0.000 2.537 51 R HA 0.150 4.491 4.340 0.001 0.000 0.281 51 R C 0.838 177.146 176.300 0.014 0.000 0.988 51 R CA 1.089 57.121 56.100 -0.113 0.000 1.077 51 R CB -0.026 30.174 30.300 -0.166 0.000 0.932 51 R HN 1.102 nan 8.270 nan 0.000 0.409 52 W N 3.656 124.963 121.300 0.012 0.000 2.862 52 W HA 0.522 5.183 4.660 0.001 0.000 0.376 52 W C -0.170 176.372 176.519 0.039 0.000 1.028 52 W CA 0.073 57.450 57.345 0.054 0.000 1.757 52 W CB 0.286 29.843 29.460 0.162 0.000 1.128 52 W HN 0.674 nan 8.180 nan 0.000 0.566 53 G N 0.265 108.976 108.800 -0.148 0.000 2.495 53 G HA2 0.171 4.132 3.960 0.001 0.000 0.294 53 G HA3 0.171 4.132 3.960 0.001 0.000 0.294 53 G C -0.142 174.649 174.900 -0.181 0.000 1.397 53 G CA -0.524 44.519 45.100 -0.095 0.000 0.790 53 G HN -0.137 nan 8.290 nan 0.000 0.486 54 Q N -0.281 119.442 119.800 -0.127 0.000 2.398 54 Q HA 0.105 4.446 4.340 0.001 0.000 0.204 54 Q C 0.409 176.317 176.000 -0.153 0.000 0.932 54 Q CA 0.435 56.164 55.803 -0.123 0.000 0.916 54 Q CB 0.300 28.995 28.738 -0.072 0.000 1.024 54 Q HN 0.563 nan 8.270 nan 0.000 0.504 55 E N 1.119 121.192 120.200 -0.212 0.000 2.415 55 E HA -0.012 4.339 4.350 0.001 0.000 0.262 55 E C 1.134 177.550 176.600 -0.307 0.000 1.038 55 E CA 0.211 56.450 56.400 -0.268 0.000 0.921 55 E CB 0.784 30.224 29.700 -0.433 0.000 0.950 55 E HN 0.139 nan 8.360 nan 0.000 0.438 56 S N 1.589 117.196 115.700 -0.155 0.000 2.447 56 S HA -0.170 4.301 4.470 0.001 0.000 0.233 56 S C 1.334 175.969 174.600 0.058 0.000 1.006 56 S CA 1.177 59.351 58.200 -0.043 0.000 0.957 56 S CB -0.416 62.800 63.200 0.027 0.000 0.773 56 S HN 0.694 nan 8.310 nan 0.000 0.507 57 H N 0.195 119.286 119.070 0.034 0.000 2.551 57 H HA 0.351 4.908 4.556 0.002 0.000 0.271 57 H C -0.084 175.076 175.328 -0.280 0.000 0.984 57 H CA -0.087 55.946 56.048 -0.026 0.000 1.164 57 H CB -0.238 29.593 29.762 0.116 0.000 1.437 57 H HN 0.494 nan 8.280 nan 0.000 0.550 58 E N 1.590 121.403 120.200 -0.645 0.000 2.325 58 E HA 0.200 4.551 4.350 0.001 0.000 0.295 58 E C -0.981 174.626 176.600 -1.654 0.000 1.461 58 E CA -0.371 55.255 56.400 -1.289 0.000 1.698 58 E CB -0.190 28.837 29.700 -1.123 0.000 1.496 58 E HN 0.459 nan 8.360 nan 0.000 0.474 59 F N -2.509 116.658 119.950 -1.306 0.000 2.685 59 F HA 0.788 5.316 4.527 0.002 0.000 0.315 59 F C 0.076 175.680 175.800 -0.328 0.000 1.126 59 F CA -1.238 56.276 58.000 -0.810 0.000 0.950 59 F CB 0.767 39.481 39.000 -0.476 0.000 1.360 59 F HN -0.105 nan 8.300 nan 0.000 0.469 60 G N 0.891 109.636 108.800 -0.091 0.000 2.887 60 G HA2 0.695 4.656 3.960 0.001 0.000 0.277 60 G HA3 0.695 4.656 3.960 0.001 0.000 0.277 60 G C -1.423 173.489 174.900 0.021 0.000 1.346 60 G CA -1.121 43.936 45.100 -0.071 0.000 1.058 60 G HN 0.543 nan 8.290 nan 0.000 0.535 61 M N 0.091 119.766 119.600 0.124 0.000 2.535 61 M HA 0.546 5.026 4.480 0.001 0.000 0.314 61 M C -0.598 175.806 176.300 0.173 0.000 1.153 61 M CA -0.747 54.629 55.300 0.126 0.000 0.924 61 M CB 2.147 34.797 32.600 0.083 0.000 1.710 61 M HN 0.593 nan 8.290 nan 0.000 0.451 62 R N 1.878 122.445 120.500 0.112 0.000 2.713 62 R HA 0.374 4.715 4.340 0.001 0.000 0.282 62 R C -1.323 175.011 176.300 0.057 0.000 1.472 62 R CA -0.182 55.974 56.100 0.094 0.000 1.060 62 R CB 1.117 31.476 30.300 0.097 0.000 1.237 62 R HN 0.835 nan 8.270 nan 0.000 0.484 63 R N 6.033 126.559 120.500 0.044 0.000 2.547 63 R HA 0.302 4.643 4.340 0.001 0.000 0.280 63 R C -0.654 175.649 176.300 0.005 0.000 1.630 63 R CA -0.401 55.716 56.100 0.028 0.000 1.470 63 R CB 0.587 30.904 30.300 0.028 0.000 1.178 63 R HN 0.489 nan 8.270 nan 0.000 0.591 64 L N 2.037 123.256 121.223 -0.007 0.000 2.452 64 L HA 0.305 4.646 4.340 0.001 0.000 0.267 64 L C 0.828 177.678 176.870 -0.035 0.000 1.188 64 L CA -0.298 54.519 54.840 -0.038 0.000 0.821 64 L CB 0.988 43.007 42.059 -0.066 0.000 1.102 64 L HN 0.516 nan 8.230 nan 0.000 0.470 65 A N 1.882 124.665 122.820 -0.062 0.000 2.511 65 A HA 0.399 4.720 4.320 0.001 0.000 0.242 65 A C 1.211 178.873 177.584 0.129 0.000 1.069 65 A CA 0.556 52.557 52.037 -0.060 0.000 0.763 65 A CB -0.122 18.741 19.000 -0.228 0.000 1.001 65 A HN 1.128 nan 8.150 nan 0.000 0.498 66 G N 1.553 110.495 108.800 0.235 0.000 2.205 66 G HA2 -0.236 3.725 3.960 0.001 0.000 0.261 66 G HA3 -0.236 3.725 3.960 0.001 0.000 0.261 66 G C 0.732 175.766 174.900 0.223 0.000 0.980 66 G CA 1.359 46.691 45.100 0.387 0.000 0.632 66 G HN 2.150 nan 8.290 nan 0.000 0.533 67 T N -1.839 112.788 114.554 0.122 0.000 2.813 67 T HA 0.665 5.016 4.350 0.001 0.000 0.297 67 T C 1.796 176.541 174.700 0.075 0.000 1.036 67 T CA 0.588 62.736 62.100 0.080 0.000 1.044 67 T CB 1.543 70.434 68.868 0.038 0.000 0.993 67 T HN 1.469 nan 8.240 nan 0.000 0.535 68 A N 1.109 123.972 122.820 0.071 0.000 1.978 68 A HA 0.018 4.339 4.320 0.001 0.000 0.220 68 A C 2.367 179.989 177.584 0.063 0.000 1.170 68 A CA 1.318 53.398 52.037 0.073 0.000 0.636 68 A CB -1.057 17.986 19.000 0.072 0.000 0.810 68 A HN 0.865 nan 8.150 nan 0.000 0.448 69 L N -0.656 120.602 121.223 0.058 0.000 2.017 69 L HA -0.218 4.123 4.340 0.001 0.000 0.208 69 L C 2.489 179.355 176.870 -0.007 0.000 1.073 69 L CA 1.799 56.675 54.840 0.061 0.000 0.745 69 L CB -0.455 41.645 42.059 0.068 0.000 0.894 69 L HN 0.439 nan 8.230 nan 0.000 0.432 70 D N -0.122 120.270 120.400 -0.014 0.000 2.116 70 D HA -0.184 4.457 4.640 0.001 0.000 0.193 70 D C 2.046 178.270 176.300 -0.127 0.000 0.998 70 D CA 1.595 55.556 54.000 -0.065 0.000 0.836 70 D CB -0.234 40.552 40.800 -0.023 0.000 0.951 70 D HN 0.274 nan 8.370 nan 0.000 0.449 71 G N 0.177 108.938 108.800 -0.064 0.000 2.440 71 G HA2 -0.212 3.749 3.960 0.001 0.000 0.218 71 G HA3 -0.212 3.749 3.960 0.001 0.000 0.218 71 G C 1.769 176.647 174.900 -0.037 0.000 1.154 71 G CA 1.617 46.692 45.100 -0.042 0.000 0.767 71 G HN 0.477 nan 8.290 nan 0.000 0.552 72 A N 0.232 123.017 122.820 -0.059 0.000 1.902 72 A HA -0.022 4.298 4.320 0.001 0.000 0.217 72 A C 2.336 179.600 177.584 -0.533 0.000 1.181 72 A CA 2.348 54.306 52.037 -0.131 0.000 0.623 72 A CB -0.375 18.654 19.000 0.048 0.000 0.818 72 A HN 0.421 nan 8.150 nan 0.000 0.443 73 M N -0.221 118.972 119.600 -0.679 0.000 2.132 73 M HA -0.061 4.419 4.480 0.001 0.000 0.263 73 M C 1.987 178.164 176.300 -0.204 0.000 1.065 73 M CA 1.622 56.472 55.300 -0.751 0.000 1.122 73 M CB -0.417 31.903 32.600 -0.467 0.000 1.365 73 M HN 0.367 nan 8.290 nan 0.000 0.411 74 R N 0.135 120.540 120.500 -0.158 0.000 2.096 74 R HA -0.119 4.222 4.340 0.001 0.000 0.235 74 R C 1.748 178.162 176.300 0.190 0.000 1.127 74 R CA 1.588 57.666 56.100 -0.038 0.000 0.968 74 R CB -0.589 29.469 30.300 -0.403 0.000 0.861 74 R HN 0.460 nan 8.270 nan 0.000 0.440 75 D N -0.418 120.081 120.400 0.165 0.000 2.144 75 D HA -0.203 4.438 4.640 0.001 0.000 0.200 75 D C 1.494 177.893 176.300 0.165 0.000 0.978 75 D CA 0.875 54.996 54.000 0.202 0.000 0.833 75 D CB -0.293 40.610 40.800 0.173 0.000 0.961 75 D HN 0.299 nan 8.370 nan 0.000 0.470 76 W N 1.039 122.316 121.300 -0.038 0.000 2.355 76 W HA -0.243 4.418 4.660 0.001 0.000 0.309 76 W C 2.153 178.706 176.519 0.057 0.000 1.206 76 W CA 1.182 58.533 57.345 0.010 0.000 1.284 76 W CB -0.678 28.760 29.460 -0.036 0.000 1.145 76 W HN -0.090 nan 8.180 nan 0.000 0.502 77 F N 1.292 121.337 119.950 0.159 0.000 2.126 77 F HA -0.252 4.276 4.527 0.001 0.000 0.299 77 F C 2.375 178.095 175.800 -0.133 0.000 1.096 77 F CA 2.649 60.647 58.000 -0.003 0.000 1.255 77 F CB -0.944 38.114 39.000 0.097 0.000 0.997 77 F HN -0.245 nan 8.300 nan 0.000 0.479 78 T N 0.640 115.202 114.554 0.012 0.000 2.652 78 T HA -0.226 4.125 4.350 0.001 0.000 0.267 78 T C 1.867 176.443 174.700 -0.206 0.000 1.039 78 T CA 1.693 63.750 62.100 -0.072 0.000 1.153 78 T CB -0.511 68.407 68.868 0.084 0.000 0.863 78 T HN 0.375 nan 8.240 nan 0.000 0.428 79 N N 0.597 119.170 118.700 -0.211 0.000 2.094 79 N HA -0.132 4.608 4.740 0.001 0.000 0.191 79 N C 1.942 177.245 175.510 -0.345 0.000 1.023 79 N CA 1.039 53.943 53.050 -0.244 0.000 0.857 79 N CB -0.084 38.274 38.487 -0.215 0.000 1.013 79 N HN 0.462 nan 8.380 nan 0.000 0.426 80 E N 0.651 120.514 120.200 -0.561 0.000 2.047 80 E HA -0.100 4.251 4.350 0.001 0.000 0.191 80 E C 2.259 178.608 176.600 -0.417 0.000 0.987 80 E CA 0.637 56.693 56.400 -0.573 0.000 0.799 80 E CB -0.308 28.858 29.700 -0.890 0.000 0.752 80 E HN 0.419 nan 8.360 nan 0.000 0.449 81 C N 0.959 119.965 119.300 -0.490 0.000 2.440 81 C HA -0.049 4.411 4.460 0.001 0.000 0.278 81 C C 2.515 177.397 174.990 -0.180 0.000 1.295 81 C CA 0.320 59.127 59.018 -0.352 0.000 1.738 81 C CB -0.749 26.715 27.740 -0.460 0.000 1.987 81 C HN 0.468 nan 8.230 nan 0.000 0.492 82 E N 1.042 121.135 120.200 -0.178 0.000 2.150 82 E HA -0.154 4.197 4.350 0.001 0.000 0.193 82 E C 2.222 178.774 176.600 -0.081 0.000 0.985 82 E CA 1.413 57.752 56.400 -0.100 0.000 0.814 82 E CB -0.141 29.507 29.700 -0.087 0.000 0.752 82 E HN 0.743 nan 8.360 nan 0.000 0.466 83 S N 0.185 115.818 115.700 -0.112 0.000 2.555 83 S HA -0.020 4.451 4.470 0.001 0.000 0.230 83 S C 1.693 176.267 174.600 -0.044 0.000 0.978 83 S CA 0.450 58.601 58.200 -0.081 0.000 0.934 83 S CB -0.067 63.069 63.200 -0.106 0.000 0.766 83 S HN 0.188 nan 8.310 nan 0.000 0.533 84 L N -0.053 121.152 121.223 -0.030 0.000 2.590 84 L HA 0.406 4.747 4.340 0.001 0.000 0.227 84 L C 1.797 178.731 176.870 0.107 0.000 1.099 84 L CA 0.415 55.287 54.840 0.054 0.000 0.872 84 L CB -0.091 42.007 42.059 0.066 0.000 1.088 84 L HN 0.565 nan 8.230 nan 0.000 0.479 85 G N -0.467 108.358 108.800 0.042 0.000 2.154 85 G HA2 -0.203 3.758 3.960 0.001 0.000 0.186 85 G HA3 -0.203 3.758 3.960 0.001 0.000 0.186 85 G C 0.179 175.080 174.900 0.003 0.000 1.000 85 G CA -0.233 44.871 45.100 0.008 0.000 0.664 85 G HN 0.249 nan 8.290 nan 0.000 0.513 86 C N 0.376 119.706 119.300 0.050 0.000 2.595 86 C HA 0.670 5.131 4.460 0.001 0.000 0.384 86 C C 0.866 175.871 174.990 0.025 0.000 1.289 86 C CA -0.507 58.548 59.018 0.061 0.000 2.372 86 C CB 1.134 28.930 27.740 0.093 0.000 2.593 86 C HN 0.588 nan 8.230 nan 0.000 0.639 87 K N 0.974 121.398 120.400 0.041 0.000 2.211 87 K HA 0.512 4.832 4.320 0.001 0.000 0.275 87 K C -1.133 175.510 176.600 0.070 0.000 1.024 87 K CA -0.237 56.075 56.287 0.041 0.000 0.887 87 K CB 0.619 33.141 32.500 0.037 0.000 1.084 87 K HN 0.555 nan 8.250 nan 0.000 0.463 88 V N 5.795 125.747 119.914 0.064 0.000 2.318 88 V HA 0.231 4.352 4.120 0.001 0.000 0.271 88 V C -0.253 175.920 176.094 0.131 0.000 1.030 88 V CA -0.737 61.627 62.300 0.106 0.000 0.844 88 V CB 0.641 32.515 31.823 0.085 0.000 1.015 88 V HN 0.715 nan 8.190 nan 0.000 0.460 89 K N 3.748 124.261 120.400 0.188 0.000 2.172 89 K HA 0.685 5.006 4.320 0.001 0.000 0.276 89 K C -0.857 175.913 176.600 0.282 0.000 1.013 89 K CA -0.569 55.835 56.287 0.195 0.000 0.913 89 K CB 2.238 34.835 32.500 0.162 0.000 1.055 89 K HN 0.412 nan 8.250 nan 0.000 0.461 90 V N 2.972 123.016 119.914 0.215 0.000 2.628 90 V HA 0.146 4.267 4.120 0.001 0.000 0.306 90 V C -0.306 175.920 176.094 0.219 0.000 1.045 90 V CA -0.827 61.615 62.300 0.238 0.000 0.905 90 V CB 1.845 33.774 31.823 0.177 0.000 0.997 90 V HN 0.901 nan 8.190 nan 0.000 0.436 91 D N 3.518 124.075 120.400 0.263 0.000 2.494 91 D HA 0.348 4.989 4.640 0.001 0.000 0.259 91 D C 0.791 177.194 176.300 0.170 0.000 1.109 91 D CA -0.830 53.306 54.000 0.228 0.000 1.040 91 D CB 0.865 41.855 40.800 0.316 0.000 1.175 91 D HN 0.166 nan 8.370 nan 0.000 0.584 92 K N -0.215 120.279 120.400 0.157 0.000 2.127 92 K HA -0.147 4.173 4.320 0.001 0.000 0.208 92 K C 1.466 178.167 176.600 0.168 0.000 1.047 92 K CA 0.985 57.375 56.287 0.171 0.000 0.927 92 K CB -0.433 32.159 32.500 0.154 0.000 0.716 92 K HN 0.412 nan 8.250 nan 0.000 0.450 93 I N -0.358 120.262 120.570 0.083 0.000 3.883 93 I HA 0.100 4.271 4.170 0.001 0.000 0.326 93 I C 0.773 176.776 176.117 -0.190 0.000 1.283 93 I CA 0.641 61.914 61.300 -0.045 0.000 1.161 93 I CB 0.188 38.178 38.000 -0.016 0.000 1.012 93 I HN 0.423 nan 8.210 nan 0.000 0.421 94 G N 0.654 109.451 108.800 -0.005 0.000 2.141 94 G HA2 -0.251 3.710 3.960 0.001 0.000 0.231 94 G HA3 -0.251 3.710 3.960 0.001 0.000 0.231 94 G C 0.088 175.074 174.900 0.144 0.000 0.984 94 G CA -0.097 45.030 45.100 0.044 0.000 0.660 94 G HN 0.348 nan 8.290 nan 0.000 0.525 95 N N 0.327 119.122 118.700 0.159 0.000 2.518 95 N HA 0.520 5.260 4.740 0.001 0.000 0.266 95 N C 0.425 175.872 175.510 -0.106 0.000 1.196 95 N CA 0.532 53.576 53.050 -0.010 0.000 0.947 95 N CB 0.616 39.120 38.487 0.028 0.000 1.098 95 N HN 0.394 nan 8.380 nan 0.000 0.450 96 M N 1.749 121.128 119.600 -0.369 0.000 2.364 96 M HA 0.426 4.906 4.480 0.001 0.000 0.334 96 M C -1.118 174.877 176.300 -0.508 0.000 1.107 96 M CA -0.532 54.654 55.300 -0.190 0.000 0.988 96 M CB 1.258 33.849 32.600 -0.014 0.000 1.673 96 M HN 0.296 nan 8.290 nan 0.000 0.441 97 F N 1.852 121.807 119.950 0.009 0.000 2.513 97 F HA 0.568 5.095 4.527 0.001 0.000 0.358 97 F C 0.107 175.953 175.800 0.077 0.000 1.118 97 F CA -0.963 57.039 58.000 0.003 0.000 1.037 97 F CB 1.185 40.181 39.000 -0.007 0.000 1.276 97 F HN 0.562 nan 8.300 nan 0.000 0.446 98 A N 3.449 126.406 122.820 0.228 0.000 2.310 98 A HA 0.654 4.975 4.320 0.001 0.000 0.300 98 A C -0.563 177.127 177.584 0.177 0.000 1.269 98 A CA -0.453 51.678 52.037 0.157 0.000 0.909 98 A CB 0.061 19.088 19.000 0.046 0.000 1.144 98 A HN 0.501 nan 8.150 nan 0.000 0.540 99 V N 3.959 123.977 119.914 0.174 0.000 2.347 99 V HA 0.185 4.305 4.120 0.001 0.000 0.280 99 V C -0.655 175.562 176.094 0.205 0.000 1.021 99 V CA -0.455 61.962 62.300 0.195 0.000 0.847 99 V CB 0.764 32.683 31.823 0.160 0.000 0.990 99 V HN 0.761 nan 8.190 nan 0.000 0.444 100 Y N 8.540 128.910 120.300 0.115 0.000 2.327 100 Y HA 0.475 5.026 4.550 0.001 0.000 0.336 100 Y C -2.053 173.918 175.900 0.119 0.000 1.035 100 Y CA -2.729 55.444 58.100 0.121 0.000 1.165 100 Y CB 1.711 40.280 38.460 0.181 0.000 1.181 100 Y HN 0.449 nan 8.280 nan 0.000 0.494 101 P HA 0.148 nan 4.420 nan 0.000 0.276 101 P C 0.000 177.198 177.300 -0.171 0.000 1.253 101 P CA 0.165 63.140 63.100 -0.208 0.000 0.766 101 P CB 0.981 32.531 31.700 -0.250 0.000 0.845 102 G N 3.015 111.794 108.800 -0.036 0.000 2.525 102 G HA2 0.152 4.112 3.960 0.001 0.000 0.287 102 G HA3 0.152 4.112 3.960 0.001 0.000 0.287 102 G C 0.805 175.623 174.900 -0.136 0.000 1.350 102 G CA -0.538 44.529 45.100 -0.055 0.000 1.039 102 G HN 0.326 nan 8.290 nan 0.000 0.513 103 K N -0.680 119.598 120.400 -0.204 0.000 2.148 103 K HA 0.005 4.326 4.320 0.001 0.000 0.204 103 K C 0.957 177.422 176.600 -0.224 0.000 1.050 103 K CA 0.944 57.098 56.287 -0.222 0.000 0.942 103 K CB 0.108 32.453 32.500 -0.258 0.000 0.724 103 K HN 0.332 nan 8.250 nan 0.000 0.446 104 N N -0.354 118.162 118.700 -0.306 0.000 2.291 104 N HA 0.080 4.821 4.740 0.001 0.000 0.244 104 N C 0.465 175.936 175.510 -0.066 0.000 1.216 104 N CA 0.577 53.472 53.050 -0.259 0.000 0.879 104 N CB 1.482 39.653 38.487 -0.526 0.000 1.167 104 N HN 0.247 nan 8.380 nan 0.000 0.515 105 G N 1.759 110.547 108.800 -0.020 0.000 2.665 105 G HA2 -0.338 3.623 3.960 0.001 0.000 0.326 105 G HA3 -0.338 3.623 3.960 0.001 0.000 0.326 105 G C 0.538 175.547 174.900 0.183 0.000 1.231 105 G CA 0.819 45.958 45.100 0.065 0.000 0.992 105 G HN 0.829 nan 8.290 nan 0.000 0.549 106 G N -0.648 108.256 108.800 0.173 0.000 2.806 106 G HA2 0.135 4.096 3.960 0.001 0.000 0.236 106 G HA3 0.135 4.096 3.960 0.001 0.000 0.236 106 G C 0.137 175.137 174.900 0.165 0.000 1.387 106 G CA 1.224 46.440 45.100 0.194 0.000 0.884 106 G HN 1.941 nan 8.290 nan 0.000 0.560 107 K N 0.837 121.319 120.400 0.137 0.000 2.298 107 K HA 0.480 4.801 4.320 0.001 0.000 0.280 107 K C -2.311 174.398 176.600 0.181 0.000 1.032 107 K CA -1.234 55.138 56.287 0.141 0.000 0.958 107 K CB 1.458 34.036 32.500 0.130 0.000 0.978 107 K HN 0.433 nan 8.250 nan 0.000 0.472 108 P HA 0.010 nan 4.420 nan 0.000 0.275 108 P C -0.655 176.803 177.300 0.263 0.000 1.228 108 P CA -0.281 62.964 63.100 0.241 0.000 0.786 108 P CB 0.576 32.415 31.700 0.232 0.000 0.927 109 T N 1.387 116.121 114.554 0.300 0.000 2.814 109 T HA 0.436 4.786 4.350 0.001 0.000 0.297 109 T C 0.379 175.238 174.700 0.264 0.000 0.956 109 T CA -0.030 62.250 62.100 0.301 0.000 1.123 109 T CB 0.280 69.379 68.868 0.386 0.000 0.902 109 T HN 0.491 nan 8.240 nan 0.000 0.528 110 A N 2.987 125.957 122.820 0.250 0.000 2.324 110 A HA 0.744 5.065 4.320 0.001 0.000 0.330 110 A C 0.215 177.921 177.584 0.204 0.000 1.165 110 A CA -0.705 51.491 52.037 0.265 0.000 0.813 110 A CB 1.385 20.600 19.000 0.359 0.000 1.197 110 A HN 0.696 nan 8.150 nan 0.000 0.484 111 T N 0.700 115.329 114.554 0.126 0.000 2.881 111 T HA 0.709 5.060 4.350 0.001 0.000 0.290 111 T C -0.198 174.505 174.700 0.004 0.000 1.000 111 T CA 0.291 62.391 62.100 -0.001 0.000 0.978 111 T CB 1.099 69.971 68.868 0.006 0.000 0.997 111 T HN 1.717 nan 8.240 nan 0.000 0.443 112 G N 1.737 110.524 108.800 -0.022 0.000 2.623 112 G HA2 0.681 4.641 3.960 0.001 0.000 0.290 112 G HA3 0.681 4.641 3.960 0.001 0.000 0.290 112 G C -1.227 173.786 174.900 0.188 0.000 1.437 112 G CA -0.250 44.910 45.100 0.099 0.000 0.798 112 G HN 0.865 nan 8.290 nan 0.000 0.488 113 S N -1.870 113.912 115.700 0.138 0.000 2.930 113 S HA 0.652 5.123 4.470 0.001 0.000 0.306 113 S C -1.575 173.132 174.600 0.177 0.000 1.238 113 S CA -0.364 57.950 58.200 0.190 0.000 1.000 113 S CB 0.462 63.615 63.200 -0.078 0.000 1.342 113 S HN 1.299 nan 8.310 nan 0.000 0.575 114 H N -0.171 118.928 119.070 0.049 0.000 2.621 114 H HA 0.724 5.280 4.556 0.001 0.000 0.360 114 H C 0.084 175.366 175.328 -0.077 0.000 1.163 114 H CA -0.931 55.124 56.048 0.011 0.000 1.194 114 H CB 0.780 30.589 29.762 0.079 0.000 1.649 114 H HN 0.358 nan 8.280 nan 0.000 0.532 115 L N 0.347 121.529 121.223 -0.070 0.000 2.638 115 L HA 0.093 4.434 4.340 0.001 0.000 0.232 115 L C 0.187 177.036 176.870 -0.035 0.000 1.099 115 L CA -0.150 54.612 54.840 -0.129 0.000 0.883 115 L CB 0.054 41.992 42.059 -0.201 0.000 1.136 115 L HN 0.771 nan 8.230 nan 0.000 0.492 116 D N 0.453 120.884 120.400 0.053 0.000 2.339 116 D HA 0.170 4.811 4.640 0.001 0.000 0.245 116 D C 0.194 176.577 176.300 0.139 0.000 1.115 116 D CA -0.011 54.018 54.000 0.048 0.000 0.917 116 D CB 1.617 42.401 40.800 -0.027 0.000 1.192 116 D HN -0.045 nan 8.370 nan 0.000 0.428 117 T N -1.979 112.614 114.554 0.065 0.000 2.883 117 T HA 0.307 4.657 4.350 0.001 0.000 0.284 117 T C 0.254 174.950 174.700 -0.007 0.000 1.041 117 T CA -0.937 61.208 62.100 0.076 0.000 1.007 117 T CB 1.689 70.598 68.868 0.069 0.000 1.220 117 T HN 0.316 nan 8.240 nan 0.000 0.552 118 Q N 0.413 120.183 119.800 -0.050 0.000 2.396 118 Q HA 0.274 4.615 4.340 0.001 0.000 0.221 118 Q C -1.686 174.282 176.000 -0.052 0.000 1.025 118 Q CA -2.008 53.717 55.803 -0.130 0.000 0.946 118 Q CB 0.656 29.235 28.738 -0.265 0.000 1.224 118 Q HN 0.444 nan 8.270 nan 0.000 0.539 119 P HA -0.124 nan 4.420 nan 0.000 0.218 119 P C -0.611 176.705 177.300 0.027 0.000 1.148 119 P CA 1.478 64.566 63.100 -0.020 0.000 0.822 119 P CB 0.357 32.034 31.700 -0.040 0.000 0.784 120 E N -0.568 119.607 120.200 -0.042 0.000 2.331 120 E HA 0.606 4.957 4.350 0.001 0.000 0.243 120 E C -0.811 175.708 176.600 -0.134 0.000 0.925 120 E CA -0.564 55.751 56.400 -0.141 0.000 0.760 120 E CB 1.782 31.215 29.700 -0.446 0.000 1.254 120 E HN -0.028 nan 8.360 nan 0.000 0.419 121 A N 1.959 124.855 122.820 0.127 0.000 2.564 121 A HA 0.883 5.203 4.320 0.001 0.000 0.288 121 A C -0.101 177.616 177.584 0.222 0.000 1.164 121 A CA -0.505 51.619 52.037 0.146 0.000 0.712 121 A CB 1.550 20.620 19.000 0.116 0.000 1.303 121 A HN 0.493 nan 8.150 nan 0.000 0.418 122 G N -0.835 108.068 108.800 0.172 0.000 2.502 122 G HA2 0.482 4.443 3.960 0.001 0.000 0.305 122 G HA3 0.482 4.443 3.960 0.001 0.000 0.305 122 G C 0.119 174.995 174.900 -0.039 0.000 1.190 122 G CA -0.483 44.692 45.100 0.124 0.000 0.933 122 G HN 0.706 nan 8.290 nan 0.000 0.503 123 K N -0.749 119.476 120.400 -0.291 0.000 2.365 123 K HA 0.038 4.359 4.320 0.001 0.000 0.199 123 K C 1.086 177.339 176.600 -0.579 0.000 1.045 123 K CA 1.167 57.094 56.287 -0.599 0.000 0.962 123 K CB 0.027 31.879 32.500 -1.079 0.000 0.759 123 K HN 0.628 nan 8.250 nan 0.000 0.469 124 Y N -0.300 119.978 120.300 -0.036 0.000 2.483 124 Y HA 0.111 4.662 4.550 0.002 0.000 0.258 124 Y C 0.443 176.293 175.900 -0.083 0.000 1.083 124 Y CA -0.966 57.095 58.100 -0.066 0.000 1.283 124 Y CB 0.252 38.672 38.460 -0.066 0.000 1.178 124 Y HN -0.057 nan 8.280 nan 0.000 0.515 125 D N 0.413 120.880 120.400 0.112 0.000 2.348 125 D HA 0.333 4.974 4.640 0.001 0.000 0.253 125 D C 1.302 177.493 176.300 -0.183 0.000 1.161 125 D CA 1.439 55.501 54.000 0.103 0.000 0.876 125 D CB 1.008 42.012 40.800 0.340 0.000 1.160 125 D HN 0.444 nan 8.370 nan 0.000 0.459 126 G N 3.796 112.218 108.800 -0.631 0.000 3.548 126 G HA2 -0.415 3.545 3.960 0.001 0.000 0.224 126 G HA3 -0.415 3.545 3.960 0.001 0.000 0.224 126 G C 1.429 175.971 174.900 -0.598 0.000 1.351 126 G CA 0.418 44.828 45.100 -1.149 0.000 0.905 126 G HN 0.579 nan 8.290 nan 0.000 0.561 127 I N 1.219 121.561 120.570 -0.380 0.000 2.248 127 I HA -0.170 4.001 4.170 0.001 0.000 0.248 127 I C 2.677 178.695 176.117 -0.165 0.000 1.107 127 I CA 1.856 63.020 61.300 -0.228 0.000 1.373 127 I CB -0.322 37.580 38.000 -0.163 0.000 1.055 127 I HN 0.426 nan 8.210 nan 0.000 0.418 128 L N 0.923 122.056 121.223 -0.149 0.000 2.012 128 L HA -0.127 4.214 4.340 0.001 0.000 0.210 128 L C 2.353 179.166 176.870 -0.095 0.000 1.073 128 L CA 2.364 57.157 54.840 -0.079 0.000 0.748 128 L CB -1.320 40.715 42.059 -0.041 0.000 0.891 128 L HN 0.219 nan 8.230 nan 0.000 0.431 129 G N -0.678 108.017 108.800 -0.174 0.000 2.511 129 G HA2 -0.307 3.654 3.960 0.001 0.000 0.216 129 G HA3 -0.307 3.654 3.960 0.001 0.000 0.216 129 G C 1.683 176.533 174.900 -0.083 0.000 1.218 129 G CA 1.751 46.773 45.100 -0.129 0.000 0.788 129 G HN 0.495 nan 8.290 nan 0.000 0.560 130 V N 0.477 120.318 119.914 -0.122 0.000 2.343 130 V HA -0.025 4.096 4.120 0.001 0.000 0.247 130 V C 2.686 178.797 176.094 0.028 0.000 1.051 130 V CA 1.923 64.168 62.300 -0.092 0.000 1.036 130 V CB -0.407 31.257 31.823 -0.264 0.000 0.654 130 V HN 0.357 nan 8.190 nan 0.000 0.451 131 L N 0.209 121.441 121.223 0.016 0.000 2.191 131 L HA -0.047 4.294 4.340 0.001 0.000 0.212 131 L C 2.883 179.762 176.870 0.015 0.000 1.103 131 L CA 1.405 56.290 54.840 0.076 0.000 0.769 131 L CB -0.787 41.304 42.059 0.054 0.000 0.908 131 L HN 0.526 nan 8.230 nan 0.000 0.438 132 A N 0.100 122.919 122.820 -0.003 0.000 1.897 132 A HA -0.076 4.245 4.320 0.001 0.000 0.215 132 A C 2.385 179.998 177.584 0.048 0.000 1.181 132 A CA 1.453 53.501 52.037 0.017 0.000 0.620 132 A CB -1.028 18.027 19.000 0.091 0.000 0.821 132 A HN 0.418 nan 8.150 nan 0.000 0.443 133 G N -0.262 108.558 108.800 0.032 0.000 2.422 133 G HA2 -0.203 3.758 3.960 0.001 0.000 0.218 133 G HA3 -0.203 3.758 3.960 0.001 0.000 0.218 133 G C 1.560 176.447 174.900 -0.021 0.000 1.146 133 G CA 0.944 46.049 45.100 0.010 0.000 0.769 133 G HN 0.417 nan 8.290 nan 0.000 0.547 134 L N 0.070 121.311 121.223 0.030 0.000 1.994 134 L HA -0.064 4.277 4.340 0.001 0.000 0.208 134 L C 2.852 179.651 176.870 -0.118 0.000 1.071 134 L CA 1.640 56.461 54.840 -0.032 0.000 0.745 134 L CB -0.319 41.773 42.059 0.054 0.000 0.892 134 L HN 0.214 nan 8.230 nan 0.000 0.431 135 E N -0.414 119.704 120.200 -0.137 0.000 2.160 135 E HA -0.205 4.146 4.350 0.001 0.000 0.195 135 E C 2.184 178.715 176.600 -0.114 0.000 0.991 135 E CA 1.273 57.528 56.400 -0.242 0.000 0.810 135 E CB -0.196 29.114 29.700 -0.651 0.000 0.742 135 E HN 0.405 nan 8.360 nan 0.000 0.466 136 V N 1.588 121.473 119.914 -0.049 0.000 2.255 136 V HA -0.276 3.845 4.120 0.001 0.000 0.247 136 V C 2.504 178.191 176.094 -0.679 0.000 1.051 136 V CA 1.603 63.736 62.300 -0.278 0.000 1.018 136 V CB -0.529 31.100 31.823 -0.323 0.000 0.641 136 V HN 0.248 nan 8.190 nan 0.000 0.445 137 L N -0.858 120.036 121.223 -0.548 0.000 2.093 137 L HA -0.162 4.178 4.340 0.001 0.000 0.208 137 L C 2.709 179.344 176.870 -0.392 0.000 1.085 137 L CA 1.533 55.984 54.840 -0.647 0.000 0.755 137 L CB -0.754 41.017 42.059 -0.480 0.000 0.904 137 L HN 0.224 nan 8.230 nan 0.000 0.435 138 R N -0.222 120.135 120.500 -0.239 0.000 2.091 138 R HA -0.137 4.204 4.340 0.001 0.000 0.238 138 R C 2.355 178.622 176.300 -0.055 0.000 1.136 138 R CA 2.039 58.066 56.100 -0.122 0.000 0.959 138 R CB -0.505 29.728 30.300 -0.112 0.000 0.856 138 R HN 0.336 nan 8.270 nan 0.000 0.437 139 T N 0.384 114.900 114.554 -0.063 0.000 2.857 139 T HA -0.048 4.303 4.350 0.001 0.000 0.266 139 T C 1.539 176.346 174.700 0.178 0.000 1.048 139 T CA 1.017 63.146 62.100 0.048 0.000 1.139 139 T CB -0.233 68.685 68.868 0.084 0.000 0.874 139 T HN 0.191 nan 8.240 nan 0.000 0.455 140 F N 1.321 121.252 119.950 -0.032 0.000 2.095 140 F HA -0.147 4.381 4.527 0.001 0.000 0.298 140 F C 2.670 178.542 175.800 0.120 0.000 1.104 140 F CA 0.916 58.943 58.000 0.046 0.000 1.232 140 F CB -0.131 38.827 39.000 -0.071 0.000 0.987 140 F HN 0.097 nan 8.300 nan 0.000 0.475 141 K N 0.658 121.221 120.400 0.272 0.000 2.026 141 K HA -0.194 4.127 4.320 0.001 0.000 0.208 141 K C 1.499 178.196 176.600 0.162 0.000 1.048 141 K CA 1.824 58.254 56.287 0.238 0.000 0.929 141 K CB -0.176 32.434 32.500 0.183 0.000 0.713 141 K HN -0.006 nan 8.250 nan 0.000 0.439 142 D N 0.391 120.864 120.400 0.122 0.000 2.228 142 D HA -0.152 4.489 4.640 0.001 0.000 0.203 142 D C 1.062 177.423 176.300 0.102 0.000 0.988 142 D CA 1.003 55.058 54.000 0.092 0.000 0.864 142 D CB -0.050 40.792 40.800 0.070 0.000 0.928 142 D HN 0.294 nan 8.370 nan 0.000 0.469 143 N N -0.236 118.550 118.700 0.143 0.000 2.205 143 N HA -0.005 4.735 4.740 0.001 0.000 0.201 143 N C -0.237 175.364 175.510 0.152 0.000 1.128 143 N CA -0.029 53.104 53.050 0.138 0.000 0.867 143 N CB 0.646 39.223 38.487 0.151 0.000 0.996 143 N HN -0.030 nan 8.380 nan 0.000 0.503 144 N N 0.205 119.001 118.700 0.160 0.000 2.741 144 N HA -0.254 4.486 4.740 0.001 0.000 0.250 144 N C -0.862 174.726 175.510 0.129 0.000 1.115 144 N CA 0.495 53.621 53.050 0.128 0.000 0.724 144 N CB -1.982 36.550 38.487 0.075 0.000 1.090 144 N HN 0.444 nan 8.380 nan 0.000 0.558 145 Y N 0.272 120.587 120.300 0.025 0.000 2.393 145 Y HA 0.422 4.973 4.550 0.001 0.000 0.338 145 Y C -0.029 175.772 175.900 -0.164 0.000 1.029 145 Y CA -0.545 57.500 58.100 -0.091 0.000 1.239 145 Y CB 0.716 39.098 38.460 -0.129 0.000 1.170 145 Y HN -0.080 nan 8.280 nan 0.000 0.515 146 V N 9.446 129.102 119.914 -0.430 0.000 2.347 146 V HA 0.327 4.448 4.120 0.001 0.000 0.280 146 V C -2.023 173.753 176.094 -0.530 0.000 1.021 146 V CA -1.966 60.139 62.300 -0.325 0.000 0.847 146 V CB 0.824 32.505 31.823 -0.237 0.000 0.990 146 V HN 0.712 nan 8.190 nan 0.000 0.444 147 P HA 0.192 nan 4.420 nan 0.000 0.272 147 P C 0.489 177.672 177.300 -0.194 0.000 1.230 147 P CA -0.299 62.638 63.100 -0.272 0.000 0.788 147 P CB 0.936 32.623 31.700 -0.020 0.000 0.949 148 N N 0.023 118.636 118.700 -0.145 0.000 2.149 148 N HA -0.137 4.604 4.740 0.001 0.000 0.188 148 N C 0.216 175.428 175.510 -0.497 0.000 1.019 148 N CA 1.612 54.502 53.050 -0.267 0.000 0.857 148 N CB -0.287 38.123 38.487 -0.128 0.000 0.997 148 N HN 0.536 nan 8.380 nan 0.000 0.426 149 Y N 0.145 120.463 120.300 0.031 0.000 2.605 149 Y HA 0.253 4.804 4.550 0.001 0.000 0.343 149 Y C -0.131 175.841 175.900 0.120 0.000 1.036 149 Y CA -1.342 56.800 58.100 0.069 0.000 1.065 149 Y CB 0.942 39.459 38.460 0.096 0.000 1.288 149 Y HN -0.224 nan 8.280 nan 0.000 0.481 150 D N 0.833 121.406 120.400 0.287 0.000 2.419 150 D HA 0.294 4.935 4.640 0.001 0.000 0.236 150 D C -0.737 175.760 176.300 0.327 0.000 1.165 150 D CA 0.517 54.670 54.000 0.256 0.000 0.882 150 D CB 0.778 41.700 40.800 0.203 0.000 1.201 150 D HN 0.151 nan 8.370 nan 0.000 0.443 151 V N 0.754 120.892 119.914 0.373 0.000 2.823 151 V HA 0.561 4.681 4.120 0.001 0.000 0.312 151 V C 0.006 176.287 176.094 0.312 0.000 1.072 151 V CA -0.874 61.646 62.300 0.365 0.000 0.937 151 V CB 1.798 33.892 31.823 0.452 0.000 1.013 151 V HN 0.922 nan 8.190 nan 0.000 0.430 152 C N 2.252 121.702 119.300 0.251 0.000 2.783 152 C HA 0.887 5.348 4.460 0.001 0.000 0.312 152 C C -0.590 174.496 174.990 0.161 0.000 1.182 152 C CA -0.683 58.467 59.018 0.221 0.000 1.432 152 C CB 0.769 28.665 27.740 0.260 0.000 1.933 152 C HN 0.641 nan 8.230 nan 0.000 0.473 153 V N 3.196 123.190 119.914 0.133 0.000 2.509 153 V HA 0.609 4.730 4.120 0.001 0.000 0.284 153 V C 0.084 176.175 176.094 -0.005 0.000 1.047 153 V CA -0.201 62.158 62.300 0.098 0.000 0.952 153 V CB 1.450 33.393 31.823 0.201 0.000 0.988 153 V HN 0.841 nan 8.190 nan 0.000 0.469 154 V N 5.014 124.813 119.914 -0.192 0.000 2.487 154 V HA 0.428 4.549 4.120 0.001 0.000 0.298 154 V C -0.268 175.399 176.094 -0.712 0.000 1.028 154 V CA -0.641 61.277 62.300 -0.637 0.000 0.860 154 V CB 1.976 33.244 31.823 -0.925 0.000 0.991 154 V HN 0.586 nan 8.190 nan 0.000 0.427 155 V N 4.098 123.541 119.914 -0.784 0.000 2.328 155 V HA 0.360 4.481 4.120 0.001 0.000 0.278 155 V C -0.707 175.054 176.094 -0.555 0.000 1.021 155 V CA -0.598 61.342 62.300 -0.600 0.000 0.838 155 V CB 0.948 32.435 31.823 -0.560 0.000 0.999 155 V HN 0.891 nan 8.190 nan 0.000 0.447 156 W N 4.268 125.494 121.300 -0.122 0.000 2.322 156 W HA 0.473 5.133 4.660 0.001 0.000 0.307 156 W C 0.164 176.713 176.519 0.049 0.000 1.220 156 W CA -0.729 56.592 57.345 -0.040 0.000 1.210 156 W CB 0.639 30.093 29.460 -0.011 0.000 1.223 156 W HN 0.547 nan 8.180 nan 0.000 0.511 157 F N 4.710 124.779 119.950 0.200 0.000 2.518 157 F HA 0.032 4.559 4.527 0.001 0.000 0.359 157 F C 1.090 176.983 175.800 0.156 0.000 1.118 157 F CA -0.121 57.959 58.000 0.134 0.000 1.287 157 F CB 0.353 39.425 39.000 0.121 0.000 1.132 157 F HN 0.515 nan 8.300 nan 0.000 0.587 158 N N 3.480 121.667 118.700 -0.855 0.000 2.652 158 N HA -0.258 4.483 4.740 0.001 0.000 0.281 158 N C 0.897 176.292 175.510 -0.192 0.000 1.084 158 N CA 1.066 53.744 53.050 -0.620 0.000 0.775 158 N CB -0.487 37.501 38.487 -0.832 0.000 0.923 158 N HN 0.842 nan 8.380 nan 0.000 0.558 159 E N 0.856 120.972 120.200 -0.140 0.000 2.076 159 E HA -0.112 4.239 4.350 0.001 0.000 0.190 159 E C 0.733 177.234 176.600 -0.165 0.000 0.979 159 E CA 0.815 57.130 56.400 -0.142 0.000 0.807 159 E CB 0.181 29.710 29.700 -0.285 0.000 0.761 159 E HN 0.595 nan 8.360 nan 0.000 0.454 160 E N -0.090 119.997 120.200 -0.188 0.000 2.150 160 E HA -0.080 4.271 4.350 0.001 0.000 0.193 160 E C 1.204 177.756 176.600 -0.079 0.000 0.985 160 E CA 0.983 57.298 56.400 -0.143 0.000 0.814 160 E CB -0.222 29.390 29.700 -0.146 0.000 0.752 160 E HN 0.461 nan 8.360 nan 0.000 0.466 161 G N 0.697 109.468 108.800 -0.049 0.000 2.176 161 G HA2 -0.319 3.642 3.960 0.001 0.000 0.252 161 G HA3 -0.319 3.642 3.960 0.001 0.000 0.252 161 G C 0.957 175.852 174.900 -0.008 0.000 1.024 161 G CA 0.864 45.969 45.100 0.007 0.000 0.755 161 G HN 0.487 nan 8.290 nan 0.000 0.507 162 A N -0.019 122.768 122.820 -0.054 0.000 1.844 162 A HA 0.337 4.658 4.320 0.001 0.000 0.212 162 A C 2.153 179.682 177.584 -0.092 0.000 1.221 162 A CA 2.035 54.028 52.037 -0.075 0.000 0.607 162 A CB -0.302 18.637 19.000 -0.102 0.000 0.878 162 A HN 0.654 nan 8.150 nan 0.000 0.451 163 R N -1.803 118.601 120.500 -0.160 0.000 2.090 163 R HA 0.060 4.400 4.340 0.001 0.000 0.228 163 R C -0.708 175.318 176.300 -0.456 0.000 1.110 163 R CA 0.754 56.647 56.100 -0.344 0.000 0.973 163 R CB -0.144 29.867 30.300 -0.481 0.000 0.869 163 R HN 0.384 nan 8.270 nan 0.000 0.440 164 F N -0.022 119.942 119.950 0.024 0.000 2.449 164 F HA 0.462 4.989 4.527 0.001 0.000 0.342 164 F C 0.179 176.007 175.800 0.046 0.000 1.127 164 F CA -1.236 56.800 58.000 0.060 0.000 0.975 164 F CB 1.987 41.052 39.000 0.110 0.000 1.146 164 F HN -0.025 nan 8.300 nan 0.000 0.444 165 A N 3.909 126.857 122.820 0.213 0.000 3.051 165 A HA 0.418 4.738 4.320 0.001 0.000 0.257 165 A C 0.139 177.799 177.584 0.126 0.000 1.785 165 A CA 0.074 52.190 52.037 0.130 0.000 1.420 165 A CB -0.743 18.319 19.000 0.103 0.000 1.063 165 A HN 0.617 nan 8.150 nan 0.000 0.630 166 R N 0.323 120.903 120.500 0.132 0.000 2.585 166 R HA 0.296 4.637 4.340 0.001 0.000 0.288 166 R C -0.525 175.828 176.300 0.088 0.000 1.194 166 R CA 0.345 56.508 56.100 0.106 0.000 1.006 166 R CB 0.304 30.676 30.300 0.120 0.000 1.229 166 R HN 0.397 nan 8.270 nan 0.000 0.412 167 S N 2.037 117.770 115.700 0.055 0.000 2.617 167 S HA 0.320 4.791 4.470 0.001 0.000 0.269 167 S C 0.368 174.986 174.600 0.031 0.000 1.292 167 S CA 0.294 58.512 58.200 0.030 0.000 1.010 167 S CB 0.904 64.113 63.200 0.015 0.000 0.944 167 S HN 1.014 nan 8.310 nan 0.000 0.536 168 C N 1.945 121.253 119.300 0.013 0.000 4.268 168 C HA -0.152 4.309 4.460 0.001 0.000 0.299 168 C C 1.830 176.869 174.990 0.082 0.000 1.429 168 C CA 0.651 59.682 59.018 0.022 0.000 2.018 168 C CB -3.470 24.260 27.740 -0.016 0.000 1.277 168 C HN 1.062 nan 8.230 nan 0.000 0.767 169 T N 0.767 115.399 114.554 0.131 0.000 2.597 169 T HA -0.177 4.174 4.350 0.001 0.000 0.267 169 T C 2.096 176.971 174.700 0.291 0.000 1.053 169 T CA 2.246 64.478 62.100 0.220 0.000 1.165 169 T CB -0.383 68.683 68.868 0.331 0.000 0.863 169 T HN 0.919 nan 8.240 nan 0.000 0.427 170 G N 1.615 110.662 108.800 0.411 0.000 2.529 170 G HA2 -0.277 3.684 3.960 0.001 0.000 0.219 170 G HA3 -0.277 3.684 3.960 0.001 0.000 0.219 170 G C 1.889 177.027 174.900 0.398 0.000 1.177 170 G CA 1.665 47.053 45.100 0.480 0.000 0.773 170 G HN 0.654 nan 8.290 nan 0.000 0.573 171 S N -0.038 115.765 115.700 0.172 0.000 2.470 171 S HA 0.072 4.542 4.470 0.001 0.000 0.225 171 S C 2.360 176.993 174.600 0.056 0.000 1.006 171 S CA 1.151 59.258 58.200 -0.155 0.000 0.934 171 S CB 0.086 62.721 63.200 -0.941 0.000 0.778 171 S HN 0.235 nan 8.310 nan 0.000 0.517 172 S N 1.612 117.365 115.700 0.088 0.000 2.399 172 S HA -0.002 4.469 4.470 0.001 0.000 0.231 172 S C 1.875 176.583 174.600 0.180 0.000 1.022 172 S CA 1.045 59.314 58.200 0.115 0.000 0.983 172 S CB -0.416 62.836 63.200 0.087 0.000 0.803 172 S HN 0.404 nan 8.310 nan 0.000 0.480 173 V N -0.085 119.958 119.914 0.215 0.000 2.323 173 V HA -0.118 4.003 4.120 0.001 0.000 0.244 173 V C 1.815 178.114 176.094 0.342 0.000 1.041 173 V CA 1.443 63.873 62.300 0.216 0.000 1.025 173 V CB -0.586 31.332 31.823 0.158 0.000 0.656 173 V HN 0.699 nan 8.190 nan 0.000 0.451 174 W N 1.696 123.130 121.300 0.223 0.000 2.325 174 W HA -0.255 4.405 4.660 0.001 0.000 0.299 174 W C 2.526 179.170 176.519 0.209 0.000 1.215 174 W CA 1.979 59.484 57.345 0.267 0.000 1.244 174 W CB -0.124 29.562 29.460 0.377 0.000 1.140 174 W HN 0.350 nan 8.180 nan 0.000 0.523 175 S N -1.481 114.412 115.700 0.322 0.000 2.671 175 S HA 0.022 4.493 4.470 0.001 0.000 0.220 175 S C 0.317 175.048 174.600 0.218 0.000 0.951 175 S CA 0.713 58.982 58.200 0.115 0.000 0.932 175 S CB -1.185 62.177 63.200 0.270 0.000 0.777 175 S HN 0.597 nan 8.310 nan 0.000 0.508 176 H N -0.529 118.617 119.070 0.126 0.000 2.921 176 H HA -0.189 4.368 4.556 0.002 0.000 0.281 176 H C 0.494 175.877 175.328 0.092 0.000 1.165 176 H CA 0.609 56.719 56.048 0.103 0.000 1.151 176 H CB -1.469 28.372 29.762 0.132 0.000 1.311 176 H HN 0.542 nan 8.280 nan 0.000 0.361 177 D N 0.383 120.902 120.400 0.199 0.000 2.317 177 D HA 0.077 4.718 4.640 0.001 0.000 0.211 177 D C 0.305 176.654 176.300 0.081 0.000 0.966 177 D CA 0.484 54.553 54.000 0.115 0.000 0.876 177 D CB 0.406 41.259 40.800 0.089 0.000 0.927 177 D HN 0.243 nan 8.370 nan 0.000 0.519 178 L N 0.353 121.628 121.223 0.087 0.000 2.505 178 L HA 0.398 4.739 4.340 0.001 0.000 0.266 178 L C -0.862 176.020 176.870 0.021 0.000 0.954 178 L CA -0.766 54.105 54.840 0.052 0.000 0.852 178 L CB 1.626 43.722 42.059 0.063 0.000 1.282 178 L HN -0.085 nan 8.230 nan 0.000 0.403 179 S N 3.794 119.485 115.700 -0.015 0.000 2.562 179 S HA 0.210 4.681 4.470 0.001 0.000 0.281 179 S C 1.124 175.671 174.600 -0.088 0.000 1.333 179 S CA -0.232 57.930 58.200 -0.063 0.000 1.052 179 S CB 0.871 64.037 63.200 -0.056 0.000 0.884 179 S HN 0.846 nan 8.310 nan 0.000 0.506 180 L N 1.435 122.567 121.223 -0.151 0.000 2.042 180 L HA -0.076 4.265 4.340 0.001 0.000 0.210 180 L C 2.086 178.737 176.870 -0.364 0.000 1.076 180 L CA 1.954 56.617 54.840 -0.295 0.000 0.749 180 L CB -0.888 40.961 42.059 -0.349 0.000 0.893 180 L HN 0.719 nan 8.230 nan 0.000 0.432 181 E N -0.238 119.853 120.200 -0.182 0.000 2.150 181 E HA -0.219 4.132 4.350 0.001 0.000 0.193 181 E C 2.083 178.695 176.600 0.020 0.000 0.985 181 E CA 1.237 57.617 56.400 -0.033 0.000 0.814 181 E CB -0.201 29.502 29.700 0.004 0.000 0.752 181 E HN 0.687 nan 8.360 nan 0.000 0.466 182 E N 0.297 120.493 120.200 -0.006 0.000 2.047 182 E HA -0.193 4.158 4.350 0.001 0.000 0.191 182 E C 1.990 178.616 176.600 0.043 0.000 0.987 182 E CA 1.033 57.447 56.400 0.024 0.000 0.799 182 E CB -0.110 29.601 29.700 0.018 0.000 0.752 182 E HN 0.235 nan 8.360 nan 0.000 0.449 183 A N 0.567 123.394 122.820 0.012 0.000 1.883 183 A HA -0.210 4.111 4.320 0.001 0.000 0.217 183 A C 2.013 179.655 177.584 0.096 0.000 1.186 183 A CA 1.539 53.594 52.037 0.031 0.000 0.624 183 A CB -1.033 17.957 19.000 -0.016 0.000 0.822 183 A HN 0.448 nan 8.150 nan 0.000 0.444 184 Y N 0.017 120.322 120.300 0.008 0.000 2.315 184 Y HA -0.073 4.478 4.550 0.001 0.000 0.288 184 Y C 2.557 178.468 175.900 0.018 0.000 1.154 184 Y CA 0.508 58.627 58.100 0.031 0.000 1.229 184 Y CB -1.018 37.494 38.460 0.086 0.000 0.980 184 Y HN 0.330 nan 8.280 nan 0.000 0.540 185 G N -1.054 107.849 108.800 0.172 0.000 3.088 185 G HA2 0.160 4.120 3.960 0.001 0.000 0.217 185 G HA3 0.160 4.120 3.960 0.001 0.000 0.217 185 G C 0.411 175.372 174.900 0.100 0.000 1.159 185 G CA -0.283 44.883 45.100 0.109 0.000 0.760 185 G HN 0.108 nan 8.290 nan 0.000 0.550 186 L N 1.763 123.041 121.223 0.092 0.000 2.416 186 L HA 0.324 4.664 4.340 0.001 0.000 0.272 186 L C 0.381 177.382 176.870 0.219 0.000 1.161 186 L CA -0.185 54.735 54.840 0.133 0.000 0.845 186 L CB 1.004 43.136 42.059 0.121 0.000 1.119 186 L HN 0.034 nan 8.230 nan 0.000 0.464 187 M N 1.169 120.935 119.600 0.276 0.000 2.478 187 M HA 0.280 4.760 4.480 0.001 0.000 0.327 187 M C 0.113 176.648 176.300 0.392 0.000 1.187 187 M CA -0.585 54.912 55.300 0.327 0.000 1.022 187 M CB 1.671 34.384 32.600 0.188 0.000 1.629 187 M HN 0.459 nan 8.290 nan 0.000 0.461 188 S N 1.328 117.204 115.700 0.294 0.000 2.544 188 S HA 0.193 4.664 4.470 0.001 0.000 0.290 188 S C 0.125 174.711 174.600 -0.024 0.000 1.276 188 S CA -0.645 57.527 58.200 -0.047 0.000 1.075 188 S CB -0.214 62.944 63.200 -0.070 0.000 0.849 188 S HN 0.450 nan 8.310 nan 0.000 0.494 189 V N 3.313 123.175 119.914 -0.085 0.000 2.508 189 V HA 0.442 4.563 4.120 0.001 0.000 0.281 189 V C 1.341 177.410 176.094 -0.041 0.000 1.041 189 V CA 0.425 62.705 62.300 -0.033 0.000 1.016 189 V CB 0.107 31.913 31.823 -0.028 0.000 0.984 189 V HN 1.248 nan 8.190 nan 0.000 0.478 190 G N 3.863 112.655 108.800 -0.013 0.000 2.305 190 G HA2 -0.226 3.735 3.960 0.001 0.000 0.287 190 G HA3 -0.226 3.735 3.960 0.001 0.000 0.287 190 G C -0.018 174.872 174.900 -0.015 0.000 1.036 190 G CA 0.295 45.388 45.100 -0.011 0.000 0.887 190 G HN 0.750 nan 8.290 nan 0.000 0.505 191 E N -0.918 119.274 120.200 -0.013 0.000 2.202 191 E HA 0.362 4.713 4.350 0.001 0.000 0.272 191 E C 0.621 177.225 176.600 0.006 0.000 0.951 191 E CA -0.731 55.663 56.400 -0.010 0.000 0.813 191 E CB 1.239 30.928 29.700 -0.019 0.000 1.151 191 E HN 0.125 nan 8.360 nan 0.000 0.398 192 D N 1.391 121.796 120.400 0.008 0.000 2.103 192 D HA -0.166 4.475 4.640 0.001 0.000 0.190 192 D C 0.393 176.705 176.300 0.020 0.000 0.997 192 D CA 1.619 55.627 54.000 0.013 0.000 0.833 192 D CB 0.253 41.060 40.800 0.012 0.000 0.961 192 D HN 0.098 nan 8.370 nan 0.000 0.447 193 K N 0.717 121.131 120.400 0.024 0.000 2.423 193 K HA 0.254 4.575 4.320 0.001 0.000 0.234 193 K C -2.673 173.954 176.600 0.045 0.000 1.051 193 K CA -1.776 54.532 56.287 0.034 0.000 1.021 193 K CB 1.160 33.681 32.500 0.034 0.000 1.474 193 K HN -0.048 nan 8.250 nan 0.000 0.474 194 P HA 0.014 nan 4.420 nan 0.000 0.271 194 P C -0.913 176.449 177.300 0.103 0.000 1.216 194 P CA -0.037 63.105 63.100 0.070 0.000 0.776 194 P CB 0.766 32.509 31.700 0.071 0.000 0.881 195 E N 0.303 120.595 120.200 0.152 0.000 2.355 195 E HA 0.609 4.960 4.350 0.001 0.000 0.261 195 E C -0.901 175.886 176.600 0.311 0.000 0.943 195 E CA -1.070 55.449 56.400 0.198 0.000 0.806 195 E CB 1.276 31.085 29.700 0.182 0.000 1.286 195 E HN 0.326 nan 8.360 nan 0.000 0.424 196 S N -0.016 115.829 115.700 0.241 0.000 2.616 196 S HA 0.178 4.649 4.470 0.001 0.000 0.277 196 S C 1.215 175.874 174.600 0.098 0.000 1.234 196 S CA -0.673 57.642 58.200 0.191 0.000 1.028 196 S CB 1.469 64.741 63.200 0.120 0.000 0.988 196 S HN 0.440 nan 8.310 nan 0.000 0.522 197 V N 1.745 121.490 119.914 -0.281 0.000 2.277 197 V HA -0.270 3.851 4.120 0.001 0.000 0.253 197 V C 1.946 177.957 176.094 -0.137 0.000 1.067 197 V CA 2.693 64.682 62.300 -0.519 0.000 1.047 197 V CB -1.426 30.110 31.823 -0.478 0.000 0.649 197 V HN 0.969 nan 8.190 nan 0.000 0.447 198 Y N 0.999 121.197 120.300 -0.169 0.000 2.114 198 Y HA -0.273 4.278 4.550 0.001 0.000 0.284 198 Y C 2.477 178.282 175.900 -0.158 0.000 1.143 198 Y CA 2.171 60.090 58.100 -0.302 0.000 1.135 198 Y CB -0.300 37.834 38.460 -0.543 0.000 0.980 198 Y HN 0.314 nan 8.280 nan 0.000 0.499 199 D N -0.439 120.061 120.400 0.167 0.000 2.126 199 D HA -0.218 4.423 4.640 0.001 0.000 0.190 199 D C 2.384 178.736 176.300 0.088 0.000 1.001 199 D CA 1.947 56.032 54.000 0.140 0.000 0.841 199 D CB -0.592 40.295 40.800 0.145 0.000 0.949 199 D HN 0.305 nan 8.370 nan 0.000 0.446 200 S N 0.040 115.824 115.700 0.140 0.000 2.359 200 S HA -0.141 4.330 4.470 0.001 0.000 0.223 200 S C 2.200 176.862 174.600 0.104 0.000 1.039 200 S CA 0.718 59.032 58.200 0.189 0.000 1.042 200 S CB -0.429 63.009 63.200 0.396 0.000 0.915 200 S HN 0.235 nan 8.310 nan 0.000 0.439 201 L N 1.228 122.449 121.223 -0.003 0.000 2.079 201 L HA -0.135 4.205 4.340 0.001 0.000 0.210 201 L C 2.638 179.442 176.870 -0.111 0.000 1.081 201 L CA 1.263 56.059 54.840 -0.074 0.000 0.752 201 L CB -0.383 41.517 42.059 -0.265 0.000 0.896 201 L HN 0.269 nan 8.230 nan 0.000 0.433 202 K N -0.019 120.250 120.400 -0.218 0.000 2.057 202 K HA -0.168 4.153 4.320 0.001 0.000 0.206 202 K C 1.908 178.490 176.600 -0.029 0.000 1.050 202 K CA 1.126 57.313 56.287 -0.167 0.000 0.935 202 K CB -0.002 32.418 32.500 -0.134 0.000 0.715 202 K HN 0.315 nan 8.250 nan 0.000 0.439 203 N N 1.390 120.102 118.700 0.020 0.000 2.104 203 N HA -0.174 4.567 4.740 0.001 0.000 0.190 203 N C 1.823 177.378 175.510 0.074 0.000 1.024 203 N CA 1.657 54.740 53.050 0.054 0.000 0.853 203 N CB -0.152 38.381 38.487 0.076 0.000 1.008 203 N HN 0.449 nan 8.380 nan 0.000 0.424 204 I N -3.745 116.893 120.570 0.112 0.000 3.793 204 I HA 0.347 4.517 4.170 0.001 0.000 0.315 204 I C 0.877 177.128 176.117 0.224 0.000 1.275 204 I CA 0.213 61.624 61.300 0.186 0.000 1.214 204 I CB -0.049 38.086 38.000 0.225 0.000 1.018 204 I HN -0.040 nan 8.210 nan 0.000 0.439 205 G N 1.400 110.248 108.800 0.080 0.000 2.212 205 G HA2 -0.310 3.651 3.960 0.001 0.000 0.255 205 G HA3 -0.310 3.651 3.960 0.001 0.000 0.255 205 G C -0.254 174.477 174.900 -0.283 0.000 1.062 205 G CA 0.211 45.256 45.100 -0.091 0.000 0.815 205 G HN 0.580 nan 8.290 nan 0.000 0.497 206 Y N -0.947 119.324 120.300 -0.048 0.000 2.672 206 Y HA 0.494 5.044 4.550 0.001 0.000 0.272 206 Y C 1.052 176.894 175.900 -0.098 0.000 1.055 206 Y CA -0.818 57.258 58.100 -0.040 0.000 1.151 206 Y CB 0.593 39.054 38.460 0.002 0.000 1.190 206 Y HN 0.280 nan 8.280 nan 0.000 0.574 207 I N 1.320 121.842 120.570 -0.080 0.000 2.269 207 I HA 0.285 4.455 4.170 0.001 0.000 0.293 207 I C 1.095 177.193 176.117 -0.032 0.000 1.106 207 I CA 0.020 61.252 61.300 -0.113 0.000 1.248 207 I CB 0.256 38.071 38.000 -0.307 0.000 1.444 207 I HN 0.340 nan 8.210 nan 0.000 0.497 208 G N 3.346 112.167 108.800 0.036 0.000 2.621 208 G HA2 0.112 4.073 3.960 0.001 0.000 0.271 208 G HA3 0.112 4.073 3.960 0.001 0.000 0.271 208 G C 0.079 175.018 174.900 0.065 0.000 1.236 208 G CA -0.224 44.908 45.100 0.053 0.000 0.958 208 G HN 0.549 nan 8.290 nan 0.000 0.512 209 D N -1.646 118.789 120.400 0.059 0.000 2.423 209 D HA 0.119 4.759 4.640 0.001 0.000 0.208 209 D C 1.572 177.908 176.300 0.060 0.000 1.068 209 D CA 0.442 54.474 54.000 0.054 0.000 0.860 209 D CB 0.463 41.284 40.800 0.034 0.000 0.992 209 D HN 0.470 nan 8.370 nan 0.000 0.504 210 T N 0.087 114.684 114.554 0.072 0.000 2.897 210 T HA 0.420 4.771 4.350 0.001 0.000 0.294 210 T C -2.713 172.037 174.700 0.083 0.000 1.004 210 T CA -1.884 60.252 62.100 0.061 0.000 1.106 210 T CB 1.665 70.557 68.868 0.040 0.000 0.949 210 T HN -0.273 nan 8.240 nan 0.000 0.520 211 P HA 0.338 nan 4.420 nan 0.000 0.272 211 P C -0.865 176.510 177.300 0.124 0.000 1.223 211 P CA -0.535 62.606 63.100 0.069 0.000 0.784 211 P CB 0.388 32.103 31.700 0.025 0.000 0.923 212 A N 1.385 124.292 122.820 0.145 0.000 3.094 212 A HA 0.477 4.798 4.320 0.001 0.000 0.288 212 A C 0.154 177.869 177.584 0.219 0.000 1.519 212 A CA 0.132 52.325 52.037 0.260 0.000 1.227 212 A CB -0.914 18.220 19.000 0.223 0.000 1.175 212 A HN 0.373 nan 8.150 nan 0.000 0.568 213 S N 0.154 115.913 115.700 0.098 0.000 2.603 213 S HA 0.398 4.869 4.470 0.001 0.000 0.274 213 S C 0.390 174.612 174.600 -0.630 0.000 1.168 213 S CA -0.526 57.590 58.200 -0.141 0.000 0.963 213 S CB 0.500 63.710 63.200 0.017 0.000 1.078 213 S HN 0.903 nan 8.310 nan 0.000 0.477 214 Y N 4.162 123.657 120.300 -1.341 0.000 2.569 214 Y HA 0.217 4.768 4.550 0.002 0.000 0.293 214 Y C 1.353 176.833 175.900 -0.700 0.000 1.144 214 Y CA 1.144 58.293 58.100 -1.584 0.000 1.321 214 Y CB -0.258 36.890 38.460 -2.187 0.000 0.982 214 Y HN 0.565 nan 8.280 nan 0.000 0.558 215 K N 0.283 120.007 120.400 -1.127 0.000 2.284 215 K HA 0.023 4.344 4.320 0.001 0.000 0.198 215 K C 1.390 177.794 176.600 -0.327 0.000 1.048 215 K CA 0.948 56.807 56.287 -0.714 0.000 0.987 215 K CB 0.138 32.201 32.500 -0.729 0.000 0.800 215 K HN 0.466 nan 8.250 nan 0.000 0.486 216 E N 0.684 120.730 120.200 -0.257 0.000 2.206 216 E HA -0.022 4.328 4.350 0.001 0.000 0.195 216 E C 0.274 176.829 176.600 -0.074 0.000 0.935 216 E CA 0.344 56.669 56.400 -0.123 0.000 0.875 216 E CB 0.048 29.700 29.700 -0.081 0.000 0.841 216 E HN 0.039 nan 8.360 nan 0.000 0.477 217 N N 2.347 121.015 118.700 -0.053 0.000 2.817 217 N HA 0.043 4.784 4.740 0.001 0.000 0.234 217 N C -1.090 174.505 175.510 0.141 0.000 1.066 217 N CA -0.012 53.034 53.050 -0.006 0.000 0.926 217 N CB 0.396 38.847 38.487 -0.061 0.000 1.176 217 N HN -0.026 nan 8.380 nan 0.000 0.506 218 E N 2.402 122.666 120.200 0.107 0.000 2.319 218 E HA 0.412 4.763 4.350 0.001 0.000 0.268 218 E C 0.105 176.872 176.600 0.278 0.000 1.050 218 E CA -0.715 55.816 56.400 0.218 0.000 0.878 218 E CB 1.702 31.476 29.700 0.123 0.000 1.066 218 E HN 0.554 nan 8.360 nan 0.000 0.406 219 I N -1.932 118.878 120.570 0.400 0.000 2.828 219 I HA 0.360 4.531 4.170 0.001 0.000 0.302 219 I C -0.151 176.143 176.117 0.294 0.000 1.101 219 I CA -0.778 60.723 61.300 0.336 0.000 1.031 219 I CB 2.201 40.426 38.000 0.375 0.000 1.231 219 I HN 0.349 nan 8.210 nan 0.000 0.427 220 D N 2.740 123.288 120.400 0.247 0.000 2.183 220 D HA 0.364 5.005 4.640 0.001 0.000 0.205 220 D C 0.440 176.856 176.300 0.193 0.000 0.962 220 D CA 1.294 55.433 54.000 0.232 0.000 0.849 220 D CB 0.527 41.486 40.800 0.265 0.000 0.978 220 D HN 0.830 nan 8.370 nan 0.000 0.488 221 A N -1.463 121.414 122.820 0.095 0.000 2.581 221 A HA 0.470 4.791 4.320 0.001 0.000 0.290 221 A C -1.651 175.934 177.584 0.001 0.000 1.119 221 A CA -0.647 51.326 52.037 -0.106 0.000 0.670 221 A CB 1.105 19.720 19.000 -0.643 0.000 1.280 221 A HN 0.240 nan 8.150 nan 0.000 0.425 222 H N 0.326 119.237 119.070 -0.264 0.000 3.013 222 H HA 0.572 5.129 4.556 0.001 0.000 0.326 222 H C -2.015 173.101 175.328 -0.354 0.000 0.973 222 H CA -0.246 55.716 56.048 -0.143 0.000 1.369 222 H CB 0.720 30.475 29.762 -0.012 0.000 1.598 222 H HN 0.446 nan 8.280 nan 0.000 0.518 223 F N 2.760 122.445 119.950 -0.441 0.000 2.443 223 F HA 0.264 4.792 4.527 0.000 0.000 0.335 223 F C 0.308 175.815 175.800 -0.489 0.000 1.104 223 F CA -0.572 57.184 58.000 -0.407 0.000 1.013 223 F CB 1.869 40.713 39.000 -0.260 0.000 1.136 223 F HN 0.521 nan 8.300 nan 0.000 0.470 224 E N 3.639 123.707 120.200 -0.219 0.000 2.244 224 E HA 0.435 4.786 4.350 0.001 0.000 0.260 224 E C -1.921 174.648 176.600 -0.052 0.000 0.884 224 E CA -0.987 55.322 56.400 -0.151 0.000 0.777 224 E CB 1.562 31.195 29.700 -0.112 0.000 1.197 224 E HN 0.573 nan 8.360 nan 0.000 0.416 225 L N 5.345 126.558 121.223 -0.016 0.000 2.276 225 L HA 0.494 4.835 4.340 0.001 0.000 0.286 225 L C -1.416 175.484 176.870 0.051 0.000 1.061 225 L CA -0.045 54.812 54.840 0.030 0.000 0.807 225 L CB 0.970 43.040 42.059 0.018 0.000 1.177 225 L HN 0.635 nan 8.230 nan 0.000 0.429 226 H N 4.184 123.288 119.070 0.057 0.000 2.996 226 H HA 0.421 4.978 4.556 0.001 0.000 0.368 226 H C -0.802 174.502 175.328 -0.039 0.000 1.185 226 H CA -0.634 55.416 56.048 0.004 0.000 1.160 226 H CB 1.765 31.486 29.762 -0.068 0.000 1.820 226 H HN 0.737 nan 8.280 nan 0.000 0.547 227 I N 0.050 120.777 120.570 0.262 0.000 2.754 227 I HA 0.086 4.257 4.170 0.001 0.000 0.285 227 I C 1.617 177.469 176.117 -0.441 0.000 1.166 227 I CA 0.047 61.325 61.300 -0.036 0.000 1.417 227 I CB 0.737 38.738 38.000 0.000 0.000 1.382 227 I HN 0.617 nan 8.210 nan 0.000 0.588 228 E N 3.020 122.882 120.200 -0.564 0.000 2.160 228 E HA -0.253 4.098 4.350 0.001 0.000 0.195 228 E C 0.592 176.807 176.600 -0.642 0.000 0.991 228 E CA 1.435 57.291 56.400 -0.907 0.000 0.810 228 E CB 0.009 29.488 29.700 -0.367 0.000 0.742 228 E HN 0.862 nan 8.360 nan 0.000 0.466 229 Q N -1.463 118.124 119.800 -0.354 0.000 2.468 229 Q HA -0.205 4.136 4.340 0.001 0.000 0.256 229 Q C -0.083 175.817 176.000 -0.166 0.000 0.984 229 Q CA 0.474 56.139 55.803 -0.229 0.000 1.110 229 Q CB -1.665 26.923 28.738 -0.250 0.000 1.527 229 Q HN 0.367 nan 8.270 nan 0.000 0.535 230 G N -0.987 107.726 108.800 -0.145 0.000 2.682 230 G HA2 0.545 4.506 3.960 0.001 0.000 0.290 230 G HA3 0.545 4.506 3.960 0.001 0.000 0.290 230 G C -2.898 171.967 174.900 -0.057 0.000 1.425 230 G CA -0.835 44.218 45.100 -0.078 0.000 0.807 230 G HN -0.129 nan 8.290 nan 0.000 0.482 231 P HA 0.174 nan 4.420 nan 0.000 0.251 231 P C 1.694 178.988 177.300 -0.009 0.000 1.223 231 P CA -0.078 63.010 63.100 -0.022 0.000 0.796 231 P CB 0.453 32.144 31.700 -0.016 0.000 1.068 232 I N -0.020 120.553 120.570 0.006 0.000 2.099 232 I HA -0.257 3.914 4.170 0.001 0.000 0.239 232 I C 2.492 178.618 176.117 0.016 0.000 1.066 232 I CA 1.530 62.845 61.300 0.025 0.000 1.324 232 I CB -0.947 37.087 38.000 0.057 0.000 1.037 232 I HN -0.147 nan 8.210 nan 0.000 0.401 233 L N 0.197 121.427 121.223 0.012 0.000 2.079 233 L HA -0.233 4.108 4.340 0.001 0.000 0.210 233 L C 2.650 179.507 176.870 -0.021 0.000 1.081 233 L CA 1.420 56.257 54.840 -0.005 0.000 0.752 233 L CB -0.693 41.359 42.059 -0.012 0.000 0.896 233 L HN 0.369 nan 8.230 nan 0.000 0.433 234 E N 0.191 120.376 120.200 -0.024 0.000 2.031 234 E HA -0.284 4.066 4.350 0.001 0.000 0.193 234 E C 1.867 178.460 176.600 -0.011 0.000 0.994 234 E CA 1.590 57.976 56.400 -0.023 0.000 0.800 234 E CB -0.013 29.674 29.700 -0.021 0.000 0.752 234 E HN 0.442 nan 8.360 nan 0.000 0.447 235 D N 0.452 120.849 120.400 -0.006 0.000 2.097 235 D HA -0.170 4.471 4.640 0.001 0.000 0.197 235 D C 1.281 177.583 176.300 0.003 0.000 0.984 235 D CA 0.979 54.979 54.000 -0.000 0.000 0.826 235 D CB 0.065 40.867 40.800 0.003 0.000 0.973 235 D HN 0.236 nan 8.370 nan 0.000 0.460 236 E N -0.008 120.195 120.200 0.005 0.000 2.511 236 E HA -0.049 4.302 4.350 0.001 0.000 0.196 236 E C -0.028 176.574 176.600 0.003 0.000 1.066 236 E CA -0.090 56.315 56.400 0.008 0.000 0.871 236 E CB -0.143 29.566 29.700 0.015 0.000 0.863 236 E HN 0.299 nan 8.360 nan 0.000 0.520 237 N N 1.098 119.795 118.700 -0.005 0.000 2.747 237 N HA -0.124 4.617 4.740 0.001 0.000 0.249 237 N C -0.970 174.526 175.510 -0.024 0.000 1.107 237 N CA 0.687 53.731 53.050 -0.010 0.000 0.707 237 N CB -0.299 38.188 38.487 0.000 0.000 1.054 237 N HN -0.004 nan 8.380 nan 0.000 0.555 238 K N -0.195 120.183 120.400 -0.037 0.000 2.118 238 K HA 0.567 4.887 4.320 0.001 0.000 0.264 238 K C 1.076 177.607 176.600 -0.115 0.000 1.000 238 K CA 0.300 56.544 56.287 -0.070 0.000 0.929 238 K CB 1.056 33.522 32.500 -0.057 0.000 1.021 238 K HN 0.148 nan 8.250 nan 0.000 0.463 239 A N 2.187 124.883 122.820 -0.207 0.000 2.063 239 A HA 0.212 4.533 4.320 0.001 0.000 0.211 239 A C 0.470 177.842 177.584 -0.354 0.000 1.177 239 A CA 0.615 52.474 52.037 -0.297 0.000 0.759 239 A CB 0.402 19.138 19.000 -0.440 0.000 0.857 239 A HN 0.502 nan 8.150 nan 0.000 0.468 240 I N -0.547 119.805 120.570 -0.364 0.000 2.656 240 I HA 0.434 4.605 4.170 0.001 0.000 0.292 240 I C -0.321 175.686 176.117 -0.182 0.000 1.144 240 I CA -0.236 60.878 61.300 -0.311 0.000 1.038 240 I CB 1.501 39.213 38.000 -0.480 0.000 1.244 240 I HN 0.097 nan 8.210 nan 0.000 0.420 241 G N 6.647 115.399 108.800 -0.082 0.000 2.533 241 G HA2 0.634 4.594 3.960 0.001 0.000 0.310 241 G HA3 0.634 4.594 3.960 0.001 0.000 0.310 241 G C -0.466 174.357 174.900 -0.128 0.000 1.266 241 G CA -0.371 44.703 45.100 -0.042 0.000 0.967 241 G HN 0.470 nan 8.290 nan 0.000 0.493 242 I N 2.797 123.277 120.570 -0.150 0.000 2.363 242 I HA 0.058 4.228 4.170 0.001 0.000 0.292 242 I C 0.073 176.050 176.117 -0.234 0.000 1.075 242 I CA -0.395 60.802 61.300 -0.172 0.000 1.333 242 I CB 1.236 39.166 38.000 -0.117 0.000 1.415 242 I HN 0.015 nan 8.210 nan 0.000 0.502 243 V N 6.009 125.719 119.914 -0.339 0.000 2.389 243 V HA 0.024 4.145 4.120 0.001 0.000 0.264 243 V C 1.416 177.364 176.094 -0.243 0.000 1.049 243 V CA 0.003 62.059 62.300 -0.405 0.000 0.932 243 V CB 0.894 32.339 31.823 -0.630 0.000 1.011 243 V HN 0.912 nan 8.190 nan 0.000 0.475 244 T N 1.710 115.998 114.554 -0.443 0.000 3.014 244 T HA 0.345 4.696 4.350 0.001 0.000 0.263 244 T C 0.795 175.104 174.700 -0.651 0.000 1.078 244 T CA 0.757 62.558 62.100 -0.499 0.000 1.135 244 T CB 0.261 68.749 68.868 -0.634 0.000 0.895 244 T HN 1.040 nan 8.240 nan 0.000 0.480 245 G N -0.357 107.871 108.800 -0.954 0.000 2.428 245 G HA2 0.487 4.448 3.960 0.001 0.000 0.304 245 G HA3 0.487 4.448 3.960 0.001 0.000 0.304 245 G C -2.107 172.594 174.900 -0.332 0.000 1.303 245 G CA -0.394 44.147 45.100 -0.932 0.000 0.825 245 G HN 0.261 nan 8.290 nan 0.000 0.484 246 V N 1.216 121.088 119.914 -0.071 0.000 2.555 246 V HA 0.522 4.642 4.120 0.001 0.000 0.302 246 V C 0.185 176.463 176.094 0.307 0.000 1.038 246 V CA -0.696 61.704 62.300 0.166 0.000 0.887 246 V CB 1.479 33.305 31.823 0.005 0.000 0.991 246 V HN 0.961 nan 8.190 nan 0.000 0.434 247 Q N 3.960 123.931 119.800 0.285 0.000 2.259 247 Q HA 0.763 5.104 4.340 0.001 0.000 0.246 247 Q C -0.061 176.008 176.000 0.114 0.000 0.920 247 Q CA -0.538 55.340 55.803 0.125 0.000 0.895 247 Q CB 1.624 30.374 28.738 0.020 0.000 1.220 247 Q HN 0.786 nan 8.270 nan 0.000 0.439 248 A N 2.474 125.320 122.820 0.043 0.000 2.386 248 A HA 0.473 4.794 4.320 0.001 0.000 0.248 248 A C -0.863 176.803 177.584 0.137 0.000 1.082 248 A CA -0.196 51.845 52.037 0.006 0.000 0.789 248 A CB -0.039 18.938 19.000 -0.038 0.000 1.025 248 A HN 0.797 nan 8.150 nan 0.000 0.490 249 Y N -0.949 119.354 120.300 0.004 0.000 2.655 249 Y HA 0.727 5.277 4.550 0.001 0.000 0.336 249 Y C -1.001 174.915 175.900 0.026 0.000 1.154 249 Y CA -1.517 56.619 58.100 0.061 0.000 1.055 249 Y CB 1.227 39.736 38.460 0.082 0.000 1.295 249 Y HN 0.688 nan 8.280 nan 0.000 0.465 250 N N 0.591 119.554 118.700 0.437 0.000 2.425 250 N HA 0.452 5.193 4.740 0.001 0.000 0.289 250 N C -2.487 173.410 175.510 0.646 0.000 1.074 250 N CA -0.398 52.846 53.050 0.324 0.000 0.905 250 N CB 1.303 39.917 38.487 0.211 0.000 1.586 250 N HN 0.643 nan 8.380 nan 0.000 0.490 251 W N 2.296 123.767 121.300 0.285 0.000 2.529 251 W HA 0.545 5.205 4.660 0.001 0.000 0.321 251 W C -0.366 176.254 176.519 0.169 0.000 1.047 251 W CA -0.580 56.895 57.345 0.217 0.000 1.216 251 W CB 1.382 30.947 29.460 0.175 0.000 1.357 251 W HN 0.342 nan 8.180 nan 0.000 0.489 252 Q N 1.786 121.804 119.800 0.363 0.000 2.423 252 Q HA 0.424 4.765 4.340 0.001 0.000 0.278 252 Q C -1.057 175.019 176.000 0.126 0.000 1.097 252 Q CA -1.168 54.780 55.803 0.242 0.000 0.809 252 Q CB 3.885 32.791 28.738 0.280 0.000 1.391 252 Q HN 0.426 nan 8.270 nan 0.000 0.428 253 K N 1.026 121.471 120.400 0.075 0.000 2.292 253 K HA 0.556 4.877 4.320 0.001 0.000 0.257 253 K C -1.258 175.305 176.600 -0.062 0.000 0.940 253 K CA -0.440 55.836 56.287 -0.019 0.000 0.811 253 K CB 1.439 33.944 32.500 0.009 0.000 1.120 253 K HN 0.322 nan 8.250 nan 0.000 0.428 254 V N 2.939 122.692 119.914 -0.269 0.000 2.513 254 V HA 0.450 4.571 4.120 0.001 0.000 0.299 254 V C -0.601 175.352 176.094 -0.235 0.000 1.035 254 V CA -0.662 61.460 62.300 -0.296 0.000 0.889 254 V CB 1.982 33.381 31.823 -0.705 0.000 0.988 254 V HN 0.868 nan 8.190 nan 0.000 0.440 255 T N 3.573 118.121 114.554 -0.011 0.000 2.840 255 T HA 0.499 4.849 4.350 0.001 0.000 0.287 255 T C -0.512 174.246 174.700 0.096 0.000 0.991 255 T CA -0.364 61.748 62.100 0.020 0.000 0.964 255 T CB 1.564 70.457 68.868 0.041 0.000 0.954 255 T HN 0.333 nan 8.240 nan 0.000 0.438 256 V N 4.058 123.997 119.914 0.042 0.000 2.439 256 V HA 0.376 4.497 4.120 0.001 0.000 0.282 256 V C -0.405 175.626 176.094 -0.106 0.000 1.039 256 V CA -0.699 61.651 62.300 0.084 0.000 0.913 256 V CB 0.790 32.673 31.823 0.099 0.000 0.983 256 V HN 0.849 nan 8.190 nan 0.000 0.460 257 H N 2.303 121.435 119.070 0.105 0.000 2.481 257 H HA 0.722 5.279 4.556 0.001 0.000 0.333 257 H C 0.491 175.858 175.328 0.064 0.000 1.066 257 H CA 0.496 56.589 56.048 0.074 0.000 1.209 257 H CB 1.831 31.630 29.762 0.061 0.000 1.445 257 H HN 0.873 nan 8.280 nan 0.000 0.488 258 G N 1.248 110.126 108.800 0.130 0.000 3.247 258 G HA2 0.516 4.477 3.960 0.001 0.000 0.199 258 G HA3 0.516 4.477 3.960 0.001 0.000 0.199 258 G C -1.270 173.682 174.900 0.087 0.000 1.172 258 G CA -0.594 44.564 45.100 0.096 0.000 0.844 258 G HN 0.473 nan 8.290 nan 0.000 0.619 259 V N 0.514 120.463 119.914 0.058 0.000 2.531 259 V HA 0.635 4.756 4.120 0.001 0.000 0.301 259 V C 0.628 176.740 176.094 0.030 0.000 1.034 259 V CA -0.437 61.891 62.300 0.047 0.000 0.865 259 V CB 1.294 33.142 31.823 0.041 0.000 0.995 259 V HN 0.994 nan 8.190 nan 0.000 0.424 260 G N 3.236 112.053 108.800 0.028 0.000 2.356 260 G HA2 0.565 4.526 3.960 0.001 0.000 0.273 260 G HA3 0.565 4.526 3.960 0.001 0.000 0.273 260 G C -0.067 174.842 174.900 0.015 0.000 1.213 260 G CA 0.588 45.697 45.100 0.015 0.000 0.955 260 G HN 1.203 nan 8.290 nan 0.000 0.454 261 A N 2.901 125.724 122.820 0.005 0.000 2.515 261 A HA 0.634 4.955 4.320 0.001 0.000 0.296 261 A C -0.444 177.154 177.584 0.024 0.000 1.094 261 A CA -0.811 51.239 52.037 0.021 0.000 0.718 261 A CB 1.200 20.207 19.000 0.013 0.000 1.307 261 A HN 0.833 nan 8.150 nan 0.000 0.408 262 H N 1.529 120.570 119.070 -0.047 0.000 2.886 262 H HA 0.337 4.894 4.556 0.001 0.000 0.329 262 H C 1.225 176.503 175.328 -0.083 0.000 1.044 262 H CA 0.723 56.737 56.048 -0.056 0.000 1.456 262 H CB 1.543 31.277 29.762 -0.046 0.000 1.464 262 H HN 0.699 nan 8.280 nan 0.000 0.573 263 A N 4.000 126.713 122.820 -0.178 0.000 2.015 263 A HA -0.053 4.268 4.320 0.001 0.000 0.219 263 A C 2.260 179.837 177.584 -0.011 0.000 1.163 263 A CA 1.269 53.234 52.037 -0.121 0.000 0.646 263 A CB -0.432 18.450 19.000 -0.198 0.000 0.806 263 A HN 0.801 nan 8.150 nan 0.000 0.448 264 G N -1.060 107.882 108.800 0.236 0.000 2.545 264 G HA2 0.042 4.002 3.960 0.001 0.000 0.212 264 G HA3 0.042 4.002 3.960 0.001 0.000 0.212 264 G C 1.494 176.420 174.900 0.043 0.000 1.144 264 G CA 1.356 46.539 45.100 0.139 0.000 0.813 264 G HN 0.606 nan 8.290 nan 0.000 0.531 265 T N -1.224 113.353 114.554 0.038 0.000 3.081 265 T HA 0.174 4.525 4.350 0.001 0.000 0.250 265 T C 0.657 175.319 174.700 -0.062 0.000 1.100 265 T CA 0.352 62.390 62.100 -0.103 0.000 1.038 265 T CB 0.202 68.913 68.868 -0.262 0.000 0.962 265 T HN 0.031 nan 8.240 nan 0.000 0.516 266 T N 4.627 119.155 114.554 -0.043 0.000 2.809 266 T HA 0.511 4.861 4.350 0.001 0.000 0.296 266 T C -2.692 171.929 174.700 -0.131 0.000 1.015 266 T CA -1.426 60.635 62.100 -0.065 0.000 0.954 266 T CB 1.861 70.701 68.868 -0.047 0.000 0.950 266 T HN 0.132 nan 8.240 nan 0.000 0.450 267 P HA 0.202 nan 4.420 nan 0.000 0.277 267 P C 0.268 177.503 177.300 -0.109 0.000 1.271 267 P CA -0.730 62.298 63.100 -0.121 0.000 0.795 267 P CB 1.217 32.908 31.700 -0.016 0.000 1.101 268 W N 0.500 121.804 121.300 0.007 0.000 2.317 268 W HA -0.161 4.500 4.660 0.002 0.000 0.318 268 W C 2.685 179.207 176.519 0.006 0.000 1.227 268 W CA 1.403 58.751 57.345 0.005 0.000 1.269 268 W CB -0.597 28.864 29.460 0.002 0.000 1.155 268 W HN 0.371 nan 8.180 nan 0.000 0.484 269 R N 0.979 121.641 120.500 0.269 0.000 2.371 269 R HA -0.151 4.189 4.340 0.001 0.000 0.226 269 R C 0.913 177.279 176.300 0.111 0.000 1.132 269 R CA 1.322 57.518 56.100 0.160 0.000 1.027 269 R CB -0.655 29.712 30.300 0.111 0.000 0.848 269 R HN 0.347 nan 8.270 nan 0.000 0.479 270 L N 0.081 121.362 121.223 0.096 0.000 3.135 270 L HA 0.335 4.676 4.340 0.001 0.000 0.279 270 L C 0.256 177.156 176.870 0.050 0.000 1.200 270 L CA -0.424 54.451 54.840 0.058 0.000 1.016 270 L CB 0.508 42.586 42.059 0.031 0.000 1.391 270 L HN -0.009 nan 8.230 nan 0.000 0.588 271 R N 1.149 121.693 120.500 0.073 0.000 2.441 271 R HA 0.343 4.684 4.340 0.001 0.000 0.284 271 R C -0.313 176.035 176.300 0.080 0.000 1.070 271 R CA -0.002 56.131 56.100 0.053 0.000 1.047 271 R CB 0.956 31.280 30.300 0.040 0.000 1.016 271 R HN -0.053 nan 8.270 nan 0.000 0.477 272 K N 1.782 122.216 120.400 0.057 0.000 2.701 272 K HA 0.098 4.419 4.320 0.001 0.000 0.212 272 K C -1.391 175.240 176.600 0.052 0.000 1.035 272 K CA -0.392 55.934 56.287 0.065 0.000 1.048 272 K CB 1.110 33.647 32.500 0.061 0.000 1.234 272 K HN 0.404 nan 8.250 nan 0.000 0.540 273 D N 1.982 122.416 120.400 0.058 0.000 2.380 273 D HA 0.191 4.832 4.640 0.001 0.000 0.230 273 D C 0.853 177.169 176.300 0.025 0.000 1.154 273 D CA -0.088 53.933 54.000 0.036 0.000 0.859 273 D CB 1.540 42.373 40.800 0.054 0.000 1.045 273 D HN 0.559 nan 8.370 nan 0.000 0.495 274 A N 4.253 127.080 122.820 0.012 0.000 1.877 274 A HA -0.189 4.132 4.320 0.001 0.000 0.216 274 A C 1.916 179.484 177.584 -0.027 0.000 1.186 274 A CA 0.880 52.917 52.037 0.001 0.000 0.620 274 A CB -0.386 18.608 19.000 -0.010 0.000 0.822 274 A HN 0.585 nan 8.150 nan 0.000 0.443 275 L N -0.762 120.437 121.223 -0.039 0.000 2.017 275 L HA -0.097 4.244 4.340 0.001 0.000 0.208 275 L C 2.273 179.094 176.870 -0.082 0.000 1.073 275 L CA 2.064 56.860 54.840 -0.072 0.000 0.745 275 L CB -0.678 41.338 42.059 -0.070 0.000 0.894 275 L HN 0.370 nan 8.230 nan 0.000 0.432 276 L N -1.120 120.081 121.223 -0.037 0.000 2.012 276 L HA -0.230 4.111 4.340 0.001 0.000 0.210 276 L C 2.435 179.276 176.870 -0.048 0.000 1.073 276 L CA 1.911 56.739 54.840 -0.020 0.000 0.748 276 L CB -0.568 41.522 42.059 0.052 0.000 0.891 276 L HN 0.274 nan 8.230 nan 0.000 0.431 277 M N -0.820 118.758 119.600 -0.037 0.000 2.073 277 M HA -0.238 4.243 4.480 0.001 0.000 0.258 277 M C 2.420 178.633 176.300 -0.144 0.000 1.070 277 M CA 2.174 57.438 55.300 -0.061 0.000 1.103 277 M CB -1.199 31.388 32.600 -0.021 0.000 1.321 277 M HN 0.376 nan 8.290 nan 0.000 0.405 278 S N 0.235 115.826 115.700 -0.182 0.000 2.365 278 S HA -0.147 4.324 4.470 0.001 0.000 0.225 278 S C 2.111 176.414 174.600 -0.496 0.000 1.039 278 S CA 1.743 59.701 58.200 -0.403 0.000 1.033 278 S CB -0.410 62.539 63.200 -0.418 0.000 0.887 278 S HN 0.451 nan 8.310 nan 0.000 0.447 279 S N 1.112 116.626 115.700 -0.310 0.000 2.359 279 S HA -0.099 4.372 4.470 0.001 0.000 0.224 279 S C 1.903 176.403 174.600 -0.167 0.000 1.035 279 S CA 1.157 59.221 58.200 -0.228 0.000 1.018 279 S CB -0.227 62.890 63.200 -0.138 0.000 0.876 279 S HN 0.446 nan 8.310 nan 0.000 0.448 280 K N 0.334 120.655 120.400 -0.132 0.000 2.147 280 K HA -0.006 4.314 4.320 0.001 0.000 0.205 280 K C 2.145 178.696 176.600 -0.082 0.000 1.049 280 K CA 1.162 57.399 56.287 -0.084 0.000 0.936 280 K CB -0.205 32.260 32.500 -0.059 0.000 0.722 280 K HN 0.385 nan 8.250 nan 0.000 0.446 281 M N 0.166 119.666 119.600 -0.167 0.000 2.099 281 M HA -0.138 4.343 4.480 0.001 0.000 0.262 281 M C 2.105 178.384 176.300 -0.035 0.000 1.067 281 M CA 1.466 56.650 55.300 -0.194 0.000 1.124 281 M CB -0.337 31.913 32.600 -0.583 0.000 1.353 281 M HN 0.063 nan 8.290 nan 0.000 0.410 282 I N -0.399 120.105 120.570 -0.111 0.000 2.151 282 I HA -0.299 3.872 4.170 0.001 0.000 0.243 282 I C 2.347 178.494 176.117 0.050 0.000 1.080 282 I CA 1.285 62.612 61.300 0.045 0.000 1.339 282 I CB -0.513 37.455 38.000 -0.053 0.000 1.039 282 I HN 0.059 nan 8.210 nan 0.000 0.409 283 V N 0.773 120.689 119.914 0.002 0.000 2.295 283 V HA -0.313 3.808 4.120 0.001 0.000 0.246 283 V C 2.699 178.793 176.094 0.001 0.000 1.049 283 V CA 2.034 64.340 62.300 0.011 0.000 1.024 283 V CB -1.030 30.791 31.823 -0.003 0.000 0.648 283 V HN 0.524 nan 8.190 nan 0.000 0.447 284 A N -0.088 122.744 122.820 0.020 0.000 1.917 284 A HA -0.194 4.127 4.320 0.001 0.000 0.219 284 A C 2.382 179.962 177.584 -0.006 0.000 1.182 284 A CA 2.355 54.417 52.037 0.042 0.000 0.633 284 A CB -0.766 18.305 19.000 0.118 0.000 0.819 284 A HN 0.604 nan 8.150 nan 0.000 0.448 285 A N -1.197 121.581 122.820 -0.069 0.000 1.929 285 A HA -0.024 4.296 4.320 0.001 0.000 0.216 285 A C 2.442 179.736 177.584 -0.483 0.000 1.176 285 A CA 1.932 53.757 52.037 -0.353 0.000 0.628 285 A CB -0.855 17.736 19.000 -0.682 0.000 0.816 285 A HN 0.545 nan 8.150 nan 0.000 0.444 286 S N -0.648 114.863 115.700 -0.314 0.000 2.368 286 S HA -0.211 4.260 4.470 0.001 0.000 0.225 286 S C 1.959 176.582 174.600 0.038 0.000 1.030 286 S CA 1.835 60.045 58.200 0.018 0.000 0.999 286 S CB -0.268 63.022 63.200 0.150 0.000 0.844 286 S HN 0.649 nan 8.310 nan 0.000 0.459 287 E N 0.244 120.451 120.200 0.011 0.000 2.077 287 E HA -0.056 4.295 4.350 0.001 0.000 0.193 287 E C 1.918 178.548 176.600 0.051 0.000 0.989 287 E CA 1.335 57.755 56.400 0.033 0.000 0.800 287 E CB -0.176 29.537 29.700 0.022 0.000 0.746 287 E HN 0.587 nan 8.360 nan 0.000 0.452 288 I N 0.462 121.051 120.570 0.032 0.000 2.226 288 I HA -0.297 3.873 4.170 0.001 0.000 0.245 288 I C 2.391 178.585 176.117 0.128 0.000 1.100 288 I CA 1.015 62.352 61.300 0.063 0.000 1.374 288 I CB -0.295 37.690 38.000 -0.026 0.000 1.057 288 I HN 0.166 nan 8.210 nan 0.000 0.413 289 A N -0.018 122.880 122.820 0.130 0.000 1.892 289 A HA -0.323 3.997 4.320 0.001 0.000 0.218 289 A C 2.259 179.958 177.584 0.191 0.000 1.188 289 A CA 2.017 54.176 52.037 0.204 0.000 0.631 289 A CB -0.746 18.412 19.000 0.264 0.000 0.822 289 A HN 0.467 nan 8.150 nan 0.000 0.447 290 Q N -1.163 118.724 119.800 0.144 0.000 2.084 290 Q HA -0.130 4.211 4.340 0.001 0.000 0.202 290 Q C 2.427 178.493 176.000 0.110 0.000 0.978 290 Q CA 1.180 57.051 55.803 0.115 0.000 0.844 290 Q CB -0.133 28.654 28.738 0.082 0.000 0.898 290 Q HN 0.569 nan 8.270 nan 0.000 0.426 291 R N -0.188 120.382 120.500 0.117 0.000 2.112 291 R HA -0.172 4.169 4.340 0.001 0.000 0.242 291 R C 1.449 177.773 176.300 0.040 0.000 1.137 291 R CA 1.511 57.655 56.100 0.073 0.000 0.944 291 R CB -0.299 30.065 30.300 0.108 0.000 0.857 291 R HN 0.514 nan 8.270 nan 0.000 0.435 292 H N -0.800 118.293 119.070 0.039 0.000 2.524 292 H HA 0.032 4.589 4.556 0.002 0.000 0.280 292 H C 0.367 175.772 175.328 0.128 0.000 1.018 292 H CA -0.058 56.016 56.048 0.044 0.000 1.165 292 H CB 0.150 29.906 29.762 -0.009 0.000 1.411 292 H HN 0.230 nan 8.280 nan 0.000 0.569 293 N N 0.585 119.408 118.700 0.205 0.000 2.708 293 N HA -0.138 4.603 4.740 0.001 0.000 0.251 293 N C 0.427 176.038 175.510 0.167 0.000 1.123 293 N CA 0.732 53.875 53.050 0.155 0.000 0.739 293 N CB -1.005 37.547 38.487 0.108 0.000 1.113 293 N HN 0.569 nan 8.380 nan 0.000 0.561 294 G N -0.800 108.180 108.800 0.300 0.000 2.532 294 G HA2 0.656 4.616 3.960 0.001 0.000 0.291 294 G HA3 0.656 4.616 3.960 0.001 0.000 0.291 294 G C -0.349 174.665 174.900 0.191 0.000 1.349 294 G CA -0.610 44.666 45.100 0.293 0.000 1.038 294 G HN 0.182 nan 8.290 nan 0.000 0.518 295 L N -0.570 120.771 121.223 0.197 0.000 2.346 295 L HA 0.618 4.959 4.340 0.001 0.000 0.274 295 L C -1.155 175.849 176.870 0.223 0.000 1.007 295 L CA -0.733 54.205 54.840 0.162 0.000 0.818 295 L CB 2.178 44.288 42.059 0.086 0.000 1.284 295 L HN 0.494 nan 8.230 nan 0.000 0.424 296 F N 1.058 120.991 119.950 -0.029 0.000 2.569 296 F HA 0.721 5.249 4.527 0.001 0.000 0.312 296 F C -0.854 174.847 175.800 -0.165 0.000 1.109 296 F CA -0.068 57.813 58.000 -0.199 0.000 0.919 296 F CB 2.253 41.099 39.000 -0.256 0.000 1.211 296 F HN 0.345 nan 8.300 nan 0.000 0.446 297 T N 4.424 118.247 114.554 -1.217 0.000 2.916 297 T HA 0.361 4.712 4.350 0.001 0.000 0.305 297 T C -1.845 172.151 174.700 -1.172 0.000 1.119 297 T CA -0.595 60.918 62.100 -0.978 0.000 1.008 297 T CB 1.388 69.969 68.868 -0.478 0.000 1.129 297 T HN 0.777 nan 8.240 nan 0.000 0.480 298 C N 2.225 121.086 119.300 -0.732 0.000 2.293 298 C HA 0.763 5.224 4.460 0.001 0.000 0.323 298 C C 1.497 176.339 174.990 -0.246 0.000 1.240 298 C CA -0.073 58.710 59.018 -0.392 0.000 1.497 298 C CB -0.786 26.875 27.740 -0.131 0.000 2.171 298 C HN 1.142 nan 8.230 nan 0.000 0.465 299 G N 4.507 113.164 108.800 -0.238 0.000 2.850 299 G HA2 0.308 4.269 3.960 0.001 0.000 0.211 299 G HA3 0.308 4.269 3.960 0.001 0.000 0.211 299 G C 0.168 174.989 174.900 -0.132 0.000 1.124 299 G CA 0.236 45.218 45.100 -0.197 0.000 0.769 299 G HN 0.655 nan 8.290 nan 0.000 0.535 300 I N 0.493 121.006 120.570 -0.095 0.000 2.569 300 I HA 0.562 4.733 4.170 0.001 0.000 0.290 300 I C -1.528 174.605 176.117 0.028 0.000 1.088 300 I CA -0.807 60.465 61.300 -0.047 0.000 1.047 300 I CB 2.804 40.765 38.000 -0.066 0.000 1.237 300 I HN -0.069 nan 8.210 nan 0.000 0.421 301 I N 5.425 126.014 120.570 0.030 0.000 2.722 301 I HA 0.443 4.614 4.170 0.001 0.000 0.292 301 I C -2.065 174.082 176.117 0.051 0.000 1.267 301 I CA -0.193 61.145 61.300 0.065 0.000 1.036 301 I CB 2.096 40.100 38.000 0.007 0.000 1.281 301 I HN 0.447 nan 8.210 nan 0.000 0.423 302 D N 6.766 127.207 120.400 0.068 0.000 2.890 302 D HA 0.525 5.166 4.640 0.001 0.000 0.233 302 D C -0.960 175.382 176.300 0.069 0.000 1.306 302 D CA -0.155 53.884 54.000 0.066 0.000 0.929 302 D CB 2.329 43.154 40.800 0.043 0.000 1.512 302 D HN 0.600 nan 8.370 nan 0.000 0.568 303 A N 2.350 125.227 122.820 0.097 0.000 2.282 303 A HA 0.758 5.078 4.320 0.001 0.000 0.319 303 A C -0.135 177.510 177.584 0.103 0.000 1.121 303 A CA -0.438 51.644 52.037 0.074 0.000 0.836 303 A CB 1.310 20.331 19.000 0.034 0.000 1.146 303 A HN 0.325 nan 8.150 nan 0.000 0.494 304 K N 1.072 121.505 120.400 0.056 0.000 2.501 304 K HA 0.470 4.791 4.320 0.001 0.000 0.252 304 K C -3.091 173.527 176.600 0.031 0.000 0.934 304 K CA -1.675 54.646 56.287 0.056 0.000 0.797 304 K CB 2.779 35.300 32.500 0.035 0.000 1.270 304 K HN 0.510 nan 8.250 nan 0.000 0.431 305 P HA 0.099 nan 4.420 nan 0.000 0.281 305 P C -1.030 176.324 177.300 0.090 0.000 1.249 305 P CA -0.379 62.758 63.100 0.062 0.000 0.810 305 P CB 0.483 32.206 31.700 0.039 0.000 1.008 306 Y N 1.832 122.116 120.300 -0.026 0.000 2.616 306 Y HA 0.353 4.904 4.550 0.001 0.000 0.350 306 Y C 0.027 175.906 175.900 -0.036 0.000 1.119 306 Y CA 0.683 58.765 58.100 -0.031 0.000 1.467 306 Y CB -0.125 38.320 38.460 -0.025 0.000 1.287 306 Y HN 0.274 nan 8.280 nan 0.000 0.504 307 S N 3.166 118.806 115.700 -0.101 0.000 2.536 307 S HA 0.325 4.796 4.470 0.001 0.000 0.271 307 S C 0.411 174.910 174.600 -0.168 0.000 1.134 307 S CA -0.748 57.388 58.200 -0.105 0.000 0.897 307 S CB 1.010 64.175 63.200 -0.058 0.000 1.094 307 S HN 0.391 nan 8.310 nan 0.000 0.473 308 V N 3.286 123.107 119.914 -0.154 0.000 2.469 308 V HA -0.102 4.019 4.120 0.001 0.000 0.251 308 V C 1.495 177.494 176.094 -0.158 0.000 1.064 308 V CA 2.055 64.261 62.300 -0.156 0.000 1.066 308 V CB -0.982 30.771 31.823 -0.117 0.000 0.667 308 V HN 0.901 nan 8.190 nan 0.000 0.461 309 N N -0.579 118.014 118.700 -0.178 0.000 2.416 309 N HA 0.255 4.996 4.740 0.001 0.000 0.267 309 N C -0.553 174.769 175.510 -0.312 0.000 1.294 309 N CA -0.200 52.704 53.050 -0.243 0.000 0.891 309 N CB -0.098 38.224 38.487 -0.275 0.000 1.238 309 N HN 0.463 nan 8.380 nan 0.000 0.508 310 I N 0.888 121.331 120.570 -0.210 0.000 2.406 310 I HA 0.387 4.558 4.170 0.001 0.000 0.290 310 I C 0.066 176.110 176.117 -0.122 0.000 0.999 310 I CA -1.104 60.096 61.300 -0.167 0.000 1.124 310 I CB 2.014 39.951 38.000 -0.105 0.000 1.289 310 I HN -0.114 nan 8.210 nan 0.000 0.441 311 I N 8.094 128.603 120.570 -0.102 0.000 2.662 311 I HA 0.061 4.232 4.170 0.001 0.000 0.285 311 I C -2.027 174.061 176.117 -0.049 0.000 1.161 311 I CA -1.209 60.045 61.300 -0.077 0.000 1.415 311 I CB 0.079 38.038 38.000 -0.069 0.000 1.385 311 I HN 0.231 nan 8.210 nan 0.000 0.552 312 P HA 0.023 nan 4.420 nan 0.000 0.268 312 P C 0.616 177.910 177.300 -0.010 0.000 1.204 312 P CA 0.157 63.241 63.100 -0.027 0.000 0.768 312 P CB 0.814 32.493 31.700 -0.034 0.000 0.842 313 G N 1.893 110.693 108.800 0.000 0.000 2.784 313 G HA2 0.035 3.996 3.960 0.001 0.000 0.208 313 G HA3 0.035 3.996 3.960 0.001 0.000 0.208 313 G C -0.003 174.891 174.900 -0.010 0.000 1.120 313 G CA 0.224 45.333 45.100 0.015 0.000 0.774 313 G HN 0.544 nan 8.290 nan 0.000 0.528 314 E N 0.170 120.345 120.200 -0.040 0.000 2.274 314 E HA 0.512 4.863 4.350 0.001 0.000 0.269 314 E C -1.781 174.777 176.600 -0.070 0.000 0.891 314 E CA -0.487 55.836 56.400 -0.127 0.000 0.784 314 E CB 2.480 32.110 29.700 -0.116 0.000 1.225 314 E HN -0.100 nan 8.360 nan 0.000 0.412 315 V N 3.251 123.125 119.914 -0.068 0.000 2.531 315 V HA 0.472 4.593 4.120 0.001 0.000 0.301 315 V C -0.621 175.525 176.094 0.087 0.000 1.034 315 V CA -0.714 61.600 62.300 0.023 0.000 0.865 315 V CB 2.000 33.842 31.823 0.032 0.000 0.995 315 V HN 0.703 nan 8.190 nan 0.000 0.424 316 S N 5.408 121.173 115.700 0.109 0.000 2.472 316 S HA 0.900 5.371 4.470 0.001 0.000 0.303 316 S C -0.726 174.011 174.600 0.229 0.000 1.099 316 S CA -0.538 57.728 58.200 0.110 0.000 1.077 316 S CB 1.256 64.479 63.200 0.038 0.000 1.031 316 S HN 0.696 nan 8.310 nan 0.000 0.487 317 F N -0.849 119.091 119.950 -0.017 0.000 2.662 317 F HA 0.807 5.335 4.527 0.001 0.000 0.312 317 F C -0.310 175.489 175.800 -0.003 0.000 1.113 317 F CA -1.101 56.885 58.000 -0.023 0.000 0.951 317 F CB 0.983 39.964 39.000 -0.032 0.000 1.344 317 F HN 0.485 nan 8.300 nan 0.000 0.462 318 T N 0.699 115.287 114.554 0.056 0.000 2.929 318 T HA 0.787 5.138 4.350 0.001 0.000 0.284 318 T C -0.949 173.743 174.700 -0.012 0.000 1.014 318 T CA -0.749 61.316 62.100 -0.057 0.000 1.051 318 T CB 1.532 70.316 68.868 -0.141 0.000 1.028 318 T HN 0.778 nan 8.240 nan 0.000 0.485 319 L N 2.291 123.518 121.223 0.007 0.000 2.381 319 L HA 0.549 4.890 4.340 0.001 0.000 0.274 319 L C -1.001 175.854 176.870 -0.026 0.000 0.988 319 L CA -0.919 53.966 54.840 0.074 0.000 0.824 319 L CB 1.961 44.292 42.059 0.453 0.000 1.263 319 L HN 0.729 nan 8.230 nan 0.000 0.410 320 D N 3.322 123.526 120.400 -0.325 0.000 2.420 320 D HA 0.372 5.013 4.640 0.001 0.000 0.255 320 D C -1.119 175.134 176.300 -0.078 0.000 1.185 320 D CA -0.213 53.729 54.000 -0.097 0.000 0.904 320 D CB 0.632 41.221 40.800 -0.352 0.000 1.102 320 D HN 0.076 nan 8.370 nan 0.000 0.534 321 F N 1.657 121.805 119.950 0.329 0.000 2.399 321 F HA 0.729 5.256 4.527 0.001 0.000 0.334 321 F C 0.906 176.872 175.800 0.276 0.000 1.097 321 F CA -0.559 57.620 58.000 0.299 0.000 1.076 321 F CB 1.835 40.983 39.000 0.246 0.000 1.162 321 F HN 0.317 nan 8.300 nan 0.000 0.495 322 A N 2.152 125.211 122.820 0.399 0.000 2.515 322 A HA 0.757 5.077 4.320 0.001 0.000 0.296 322 A C -1.618 176.123 177.584 0.263 0.000 1.094 322 A CA -0.454 51.769 52.037 0.310 0.000 0.718 322 A CB 1.808 20.944 19.000 0.226 0.000 1.307 322 A HN 0.836 nan 8.150 nan 0.000 0.408 323 H N 0.751 119.856 119.070 0.059 0.000 3.112 323 H HA 0.270 4.826 4.556 0.001 0.000 0.347 323 H C -2.696 172.518 175.328 -0.191 0.000 1.188 323 H CA -0.928 55.088 56.048 -0.053 0.000 1.240 323 H CB 2.513 32.249 29.762 -0.043 0.000 1.920 323 H HN 0.301 nan 8.280 nan 0.000 0.535 324 P HA -0.113 nan 4.420 nan 0.000 0.218 324 P C 0.155 177.256 177.300 -0.331 0.000 1.148 324 P CA 1.099 63.705 63.100 -0.825 0.000 0.822 324 P CB 0.325 31.007 31.700 -1.698 0.000 0.784 325 S N -0.637 115.187 115.700 0.207 0.000 2.437 325 S HA 0.157 4.628 4.470 0.001 0.000 0.305 325 S C 0.984 175.571 174.600 -0.021 0.000 1.109 325 S CA -0.720 57.505 58.200 0.041 0.000 1.099 325 S CB 0.160 63.367 63.200 0.012 0.000 1.004 325 S HN -0.100 nan 8.310 nan 0.000 0.475 326 D N 3.434 123.805 120.400 -0.047 0.000 2.158 326 D HA -0.135 4.505 4.640 0.001 0.000 0.197 326 D C 0.829 177.070 176.300 -0.098 0.000 0.995 326 D CA 1.483 55.441 54.000 -0.070 0.000 0.846 326 D CB 0.113 40.874 40.800 -0.065 0.000 0.941 326 D HN 0.667 nan 8.370 nan 0.000 0.456 327 D N -0.179 120.162 120.400 -0.098 0.000 2.178 327 D HA -0.079 4.562 4.640 0.001 0.000 0.202 327 D C 2.299 178.507 176.300 -0.154 0.000 0.974 327 D CA 0.290 54.227 54.000 -0.105 0.000 0.841 327 D CB -0.078 40.677 40.800 -0.076 0.000 0.953 327 D HN 0.125 nan 8.370 nan 0.000 0.478 328 V N 1.139 120.908 119.914 -0.242 0.000 2.346 328 V HA -0.161 3.959 4.120 0.001 0.000 0.244 328 V C 2.420 178.287 176.094 -0.378 0.000 1.037 328 V CA 0.726 62.802 62.300 -0.374 0.000 1.029 328 V CB -0.459 30.866 31.823 -0.830 0.000 0.663 328 V HN 0.127 nan 8.190 nan 0.000 0.454 329 L N 1.500 122.531 121.223 -0.320 0.000 2.021 329 L HA -0.232 4.109 4.340 0.001 0.000 0.215 329 L C 2.450 179.183 176.870 -0.229 0.000 1.074 329 L CA 2.658 57.384 54.840 -0.189 0.000 0.760 329 L CB -1.212 40.804 42.059 -0.071 0.000 0.889 329 L HN 0.260 nan 8.230 nan 0.000 0.433 330 A N -1.771 120.933 122.820 -0.193 0.000 1.933 330 A HA -0.203 4.118 4.320 0.001 0.000 0.218 330 A C 2.184 179.637 177.584 -0.219 0.000 1.175 330 A CA 2.299 54.226 52.037 -0.184 0.000 0.628 330 A CB -1.192 17.728 19.000 -0.134 0.000 0.814 330 A HN 0.602 nan 8.150 nan 0.000 0.444 331 T N -0.452 113.967 114.554 -0.224 0.000 2.867 331 T HA -0.098 4.252 4.350 0.001 0.000 0.268 331 T C 1.894 176.361 174.700 -0.389 0.000 1.057 331 T CA 1.550 63.516 62.100 -0.223 0.000 1.136 331 T CB -0.314 68.491 68.868 -0.105 0.000 0.874 331 T HN 0.421 nan 8.240 nan 0.000 0.466 332 M N 0.522 119.806 119.600 -0.528 0.000 2.067 332 M HA 0.026 4.507 4.480 0.001 0.000 0.260 332 M C 2.277 178.231 176.300 -0.576 0.000 1.069 332 M CA 1.633 56.560 55.300 -0.621 0.000 1.117 332 M CB -0.583 31.731 32.600 -0.477 0.000 1.334 332 M HN 0.154 nan 8.290 nan 0.000 0.407 333 L N -0.219 120.666 121.223 -0.563 0.000 2.046 333 L HA -0.242 4.099 4.340 0.001 0.000 0.208 333 L C 2.597 179.232 176.870 -0.391 0.000 1.077 333 L CA 1.363 55.859 54.840 -0.573 0.000 0.747 333 L CB -0.506 41.303 42.059 -0.416 0.000 0.896 333 L HN 0.282 nan 8.230 nan 0.000 0.432 334 K N -0.041 120.185 120.400 -0.290 0.000 2.032 334 K HA -0.232 4.088 4.320 0.001 0.000 0.209 334 K C 1.970 178.445 176.600 -0.209 0.000 1.048 334 K CA 1.750 57.916 56.287 -0.202 0.000 0.927 334 K CB 0.014 32.421 32.500 -0.155 0.000 0.712 334 K HN 0.380 nan 8.250 nan 0.000 0.441 335 E N -0.389 119.663 120.200 -0.247 0.000 2.107 335 E HA -0.135 4.216 4.350 0.001 0.000 0.191 335 E C 1.925 178.354 176.600 -0.285 0.000 0.982 335 E CA 0.738 57.012 56.400 -0.210 0.000 0.809 335 E CB -0.018 29.578 29.700 -0.174 0.000 0.756 335 E HN 0.343 nan 8.360 nan 0.000 0.459 336 A N 1.722 124.285 122.820 -0.429 0.000 1.865 336 A HA -0.190 4.130 4.320 0.001 0.000 0.217 336 A C 2.423 179.522 177.584 -0.809 0.000 1.191 336 A CA 1.911 53.532 52.037 -0.693 0.000 0.623 336 A CB -0.793 17.767 19.000 -0.733 0.000 0.826 336 A HN 0.303 nan 8.150 nan 0.000 0.444 337 A N -0.225 122.318 122.820 -0.462 0.000 1.883 337 A HA 0.118 4.439 4.320 0.001 0.000 0.217 337 A C 2.525 180.075 177.584 -0.058 0.000 1.186 337 A CA 2.328 54.251 52.037 -0.189 0.000 0.624 337 A CB -1.115 17.844 19.000 -0.068 0.000 0.822 337 A HN 1.178 nan 8.150 nan 0.000 0.444 338 A N -0.628 122.137 122.820 -0.093 0.000 1.978 338 A HA -0.156 4.164 4.320 0.001 0.000 0.220 338 A C 1.977 179.566 177.584 0.010 0.000 1.170 338 A CA 2.206 54.228 52.037 -0.026 0.000 0.636 338 A CB -0.400 18.572 19.000 -0.047 0.000 0.810 338 A HN 0.548 nan 8.150 nan 0.000 0.448 339 E N -0.813 119.360 120.200 -0.044 0.000 2.076 339 E HA -0.054 4.297 4.350 0.001 0.000 0.190 339 E C 1.563 178.299 176.600 0.227 0.000 0.979 339 E CA 0.905 57.330 56.400 0.042 0.000 0.807 339 E CB -0.355 29.334 29.700 -0.018 0.000 0.761 339 E HN 0.483 nan 8.360 nan 0.000 0.454 340 F N 1.457 121.405 119.950 -0.003 0.000 2.171 340 F HA -0.102 4.426 4.527 0.002 0.000 0.300 340 F C 1.831 177.716 175.800 0.141 0.000 1.090 340 F CA 1.196 59.161 58.000 -0.058 0.000 1.293 340 F CB -0.997 37.816 39.000 -0.312 0.000 1.013 340 F HN 0.111 nan 8.300 nan 0.000 0.486 341 D N -0.433 120.218 120.400 0.419 0.000 2.218 341 D HA -0.139 4.502 4.640 0.001 0.000 0.204 341 D C 2.402 178.821 176.300 0.199 0.000 0.976 341 D CA 0.750 54.943 54.000 0.322 0.000 0.853 341 D CB -0.263 40.660 40.800 0.205 0.000 0.939 341 D HN 0.243 nan 8.370 nan 0.000 0.481 342 R N -0.003 120.594 120.500 0.161 0.000 2.080 342 R HA 0.104 4.445 4.340 0.001 0.000 0.222 342 R C 2.291 178.653 176.300 0.103 0.000 1.107 342 R CA 0.260 56.423 56.100 0.106 0.000 0.980 342 R CB 0.001 30.347 30.300 0.077 0.000 0.879 342 R HN 0.134 nan 8.270 nan 0.000 0.439 343 L N 0.314 121.610 121.223 0.122 0.000 2.109 343 L HA -0.104 4.237 4.340 0.001 0.000 0.207 343 L C 2.242 179.162 176.870 0.084 0.000 1.086 343 L CA 0.455 55.346 54.840 0.085 0.000 0.760 343 L CB -0.230 41.871 42.059 0.071 0.000 0.910 343 L HN 0.197 nan 8.230 nan 0.000 0.437 344 I N -0.089 120.559 120.570 0.131 0.000 2.567 344 I HA -0.229 3.942 4.170 0.001 0.000 0.257 344 I C 2.241 178.427 176.117 0.116 0.000 1.184 344 I CA 1.484 62.873 61.300 0.149 0.000 1.451 344 I CB -0.258 37.913 38.000 0.284 0.000 1.089 344 I HN 0.084 nan 8.210 nan 0.000 0.441 345 K N -0.046 120.413 120.400 0.099 0.000 2.356 345 K HA 0.251 4.572 4.320 0.001 0.000 0.195 345 K C 0.598 177.232 176.600 0.056 0.000 1.037 345 K CA 0.254 56.585 56.287 0.073 0.000 1.014 345 K CB 0.330 32.869 32.500 0.065 0.000 0.815 345 K HN 0.269 nan 8.250 nan 0.000 0.507 346 I N 2.738 123.339 120.570 0.052 0.000 2.260 346 I HA 0.038 4.209 4.170 0.001 0.000 0.297 346 I C -0.560 175.578 176.117 0.035 0.000 1.143 346 I CA -0.304 61.017 61.300 0.035 0.000 1.271 346 I CB -0.294 37.720 38.000 0.023 0.000 1.461 346 I HN 0.030 nan 8.210 nan 0.000 0.530 347 N N 3.578 122.302 118.700 0.040 0.000 2.864 347 N HA 0.090 4.831 4.740 0.001 0.000 0.247 347 N C -0.172 175.371 175.510 0.056 0.000 1.071 347 N CA -0.428 52.653 53.050 0.052 0.000 1.056 347 N CB 1.249 39.778 38.487 0.069 0.000 1.661 347 N HN 0.233 nan 8.380 nan 0.000 0.570 348 D N 1.623 122.061 120.400 0.063 0.000 2.144 348 D HA 0.005 4.646 4.640 0.001 0.000 0.199 348 D C 1.796 178.135 176.300 0.066 0.000 0.984 348 D CA 1.682 55.719 54.000 0.061 0.000 0.834 348 D CB -0.225 40.617 40.800 0.070 0.000 0.955 348 D HN 0.692 nan 8.370 nan 0.000 0.465 349 G N -0.820 108.028 108.800 0.081 0.000 2.625 349 G HA2 0.336 4.297 3.960 0.001 0.000 0.214 349 G HA3 0.336 4.297 3.960 0.001 0.000 0.214 349 G C 0.737 175.670 174.900 0.056 0.000 1.132 349 G CA 0.510 45.651 45.100 0.068 0.000 0.782 349 G HN 0.642 nan 8.290 nan 0.000 0.538 350 G N -2.024 106.809 108.800 0.056 0.000 2.362 350 G HA2 0.492 4.453 3.960 0.001 0.000 0.656 350 G HA3 0.492 4.453 3.960 0.001 0.000 0.656 350 G C -0.335 174.599 174.900 0.056 0.000 1.376 350 G CA -0.357 44.773 45.100 0.049 0.000 0.971 350 G HN 1.109 nan 8.290 nan 0.000 0.636 351 A N 0.175 123.027 122.820 0.053 0.000 2.488 351 A HA 0.643 4.964 4.320 0.001 0.000 0.249 351 A C 0.776 178.404 177.584 0.073 0.000 1.083 351 A CA 0.281 52.356 52.037 0.063 0.000 0.768 351 A CB 0.102 19.137 19.000 0.058 0.000 1.017 351 A HN 1.266 nan 8.150 nan 0.000 0.496 352 L N 1.930 123.208 121.223 0.091 0.000 2.482 352 L HA 0.503 4.843 4.340 0.001 0.000 0.242 352 L C 1.171 178.118 176.870 0.128 0.000 1.210 352 L CA 0.713 55.620 54.840 0.112 0.000 0.819 352 L CB 0.641 42.771 42.059 0.119 0.000 1.203 352 L HN 0.900 nan 8.230 nan 0.000 0.495 353 S N -1.454 114.343 115.700 0.160 0.000 2.661 353 S HA 0.814 5.285 4.470 0.001 0.000 0.285 353 S C -1.275 173.488 174.600 0.272 0.000 1.138 353 S CA -0.715 57.578 58.200 0.156 0.000 0.855 353 S CB 1.828 65.060 63.200 0.053 0.000 1.136 353 S HN 0.553 nan 8.310 nan 0.000 0.484 354 Y N -1.120 119.250 120.300 0.116 0.000 2.562 354 Y HA 0.866 5.417 4.550 0.001 0.000 0.345 354 Y C -1.177 174.788 175.900 0.109 0.000 1.045 354 Y CA -0.933 57.243 58.100 0.127 0.000 1.028 354 Y CB 1.267 39.774 38.460 0.078 0.000 1.297 354 Y HN 0.623 nan 8.280 nan 0.000 0.463 355 E N 1.467 121.789 120.200 0.203 0.000 2.277 355 E HA 0.537 4.888 4.350 0.001 0.000 0.266 355 E C -1.432 175.288 176.600 0.201 0.000 0.901 355 E CA -0.881 55.571 56.400 0.086 0.000 0.782 355 E CB 2.234 31.978 29.700 0.074 0.000 1.228 355 E HN 0.607 nan 8.360 nan 0.000 0.424 356 S N 1.068 116.856 115.700 0.148 0.000 2.614 356 S HA 0.408 4.879 4.470 0.001 0.000 0.288 356 S C -1.237 173.427 174.600 0.107 0.000 1.137 356 S CA -0.704 57.599 58.200 0.172 0.000 0.992 356 S CB 0.768 64.133 63.200 0.274 0.000 1.026 356 S HN 0.501 nan 8.310 nan 0.000 0.486 357 E N 2.405 122.662 120.200 0.095 0.000 2.266 357 E HA 0.536 4.887 4.350 0.001 0.000 0.268 357 E C -1.063 175.597 176.600 0.100 0.000 0.879 357 E CA -0.869 55.581 56.400 0.083 0.000 0.762 357 E CB 1.568 31.309 29.700 0.068 0.000 1.199 357 E HN 0.391 nan 8.360 nan 0.000 0.422 358 T N 3.226 117.836 114.554 0.093 0.000 2.869 358 T HA 0.197 4.548 4.350 0.001 0.000 0.295 358 T C 0.838 175.615 174.700 0.128 0.000 0.987 358 T CA -0.205 61.963 62.100 0.113 0.000 1.109 358 T CB 0.580 69.493 68.868 0.076 0.000 0.932 358 T HN 0.484 nan 8.240 nan 0.000 0.518 359 L N 1.954 123.292 121.223 0.191 0.000 2.362 359 L HA 0.340 4.681 4.340 0.001 0.000 0.204 359 L C 1.007 177.984 176.870 0.178 0.000 1.060 359 L CA 0.446 55.418 54.840 0.220 0.000 0.827 359 L CB 0.204 42.462 42.059 0.331 0.000 1.027 359 L HN 0.499 nan 8.230 nan 0.000 0.474 360 Q N -0.045 119.844 119.800 0.147 0.000 2.327 360 Q HA 0.470 4.811 4.340 0.001 0.000 0.265 360 Q C -1.622 174.302 176.000 -0.127 0.000 0.993 360 Q CA -0.355 55.415 55.803 -0.055 0.000 0.885 360 Q CB 3.485 32.067 28.738 -0.260 0.000 1.379 360 Q HN -0.128 nan 8.270 nan 0.000 0.408 361 V N 0.519 120.319 119.914 -0.190 0.000 2.850 361 V HA 0.800 4.921 4.120 0.001 0.000 0.315 361 V C -0.295 175.529 176.094 -0.451 0.000 1.064 361 V CA -0.693 61.449 62.300 -0.263 0.000 0.979 361 V CB 1.845 33.576 31.823 -0.153 0.000 1.039 361 V HN 0.706 nan 8.190 nan 0.000 0.452 362 S N 3.081 118.431 115.700 -0.583 0.000 2.545 362 S HA 0.512 4.983 4.470 0.001 0.000 0.259 362 S C -3.002 171.344 174.600 -0.422 0.000 1.092 362 S CA -0.787 57.039 58.200 -0.622 0.000 1.054 362 S CB 1.639 64.148 63.200 -1.151 0.000 1.146 362 S HN 0.576 nan 8.310 nan 0.000 0.447 363 P HA 0.366 nan 4.420 nan 0.000 0.272 363 P C -0.308 176.916 177.300 -0.126 0.000 1.223 363 P CA -0.298 62.706 63.100 -0.161 0.000 0.784 363 P CB 0.447 32.071 31.700 -0.127 0.000 0.923 364 A N 1.808 124.581 122.820 -0.079 0.000 2.448 364 A HA 0.335 4.656 4.320 0.001 0.000 0.239 364 A C -0.261 177.294 177.584 -0.048 0.000 1.080 364 A CA 0.124 52.142 52.037 -0.031 0.000 0.779 364 A CB -0.134 18.864 19.000 -0.005 0.000 1.026 364 A HN 0.376 nan 8.150 nan 0.000 0.499 365 V N 2.177 122.059 119.914 -0.053 0.000 2.531 365 V HA 0.282 4.403 4.120 0.001 0.000 0.301 365 V C -0.880 175.072 176.094 -0.236 0.000 1.034 365 V CA -0.764 61.430 62.300 -0.177 0.000 0.865 365 V CB 1.767 33.418 31.823 -0.286 0.000 0.995 365 V HN 0.921 nan 8.190 nan 0.000 0.424 366 N N 4.497 123.082 118.700 -0.191 0.000 2.444 366 N HA 0.623 5.363 4.740 0.001 0.000 0.262 366 N C -0.711 174.666 175.510 -0.222 0.000 0.974 366 N CA -0.444 52.492 53.050 -0.190 0.000 0.933 366 N CB 0.924 39.398 38.487 -0.022 0.000 1.137 366 N HN 0.398 nan 8.380 nan 0.000 0.498 367 F N 0.669 120.552 119.950 -0.113 0.000 2.440 367 F HA 0.087 4.614 4.527 0.000 0.000 0.323 367 F C 1.608 177.373 175.800 -0.058 0.000 1.192 367 F CA -0.081 57.865 58.000 -0.091 0.000 1.252 367 F CB 0.334 39.250 39.000 -0.141 0.000 1.214 367 F HN 0.395 nan 8.300 nan 0.000 0.578 368 H N 2.181 121.329 119.070 0.131 0.000 2.929 368 H HA -0.026 4.531 4.556 0.001 0.000 0.317 368 H C 1.220 176.561 175.328 0.022 0.000 1.031 368 H CA 0.381 56.457 56.048 0.047 0.000 1.466 368 H CB 0.670 30.445 29.762 0.022 0.000 1.482 368 H HN 0.813 nan 8.280 nan 0.000 0.561 369 E N 3.410 123.698 120.200 0.146 0.000 2.171 369 E HA -0.141 4.209 4.350 0.001 0.000 0.197 369 E C 1.110 177.818 176.600 0.180 0.000 0.997 369 E CA 1.219 57.697 56.400 0.129 0.000 0.810 369 E CB 0.355 30.084 29.700 0.049 0.000 0.738 369 E HN 0.471 nan 8.360 nan 0.000 0.467 370 V N 0.200 120.324 119.914 0.350 0.000 2.407 370 V HA -0.241 3.880 4.120 0.001 0.000 0.245 370 V C 2.496 178.633 176.094 0.072 0.000 1.041 370 V CA 1.467 63.821 62.300 0.090 0.000 1.040 370 V CB -0.245 31.567 31.823 -0.019 0.000 0.671 370 V HN 0.516 nan 8.190 nan 0.000 0.455 371 C N -0.193 119.153 119.300 0.077 0.000 2.440 371 C HA -0.034 4.427 4.460 0.001 0.000 0.278 371 C C 2.563 177.623 174.990 0.116 0.000 1.295 371 C CA 0.520 59.567 59.018 0.050 0.000 1.738 371 C CB -0.872 26.659 27.740 -0.348 0.000 1.987 371 C HN 0.518 nan 8.230 nan 0.000 0.492 372 I N 0.891 121.499 120.570 0.064 0.000 2.226 372 I HA -0.167 4.003 4.170 0.001 0.000 0.245 372 I C 2.467 178.627 176.117 0.072 0.000 1.100 372 I CA 1.401 62.729 61.300 0.047 0.000 1.374 372 I CB -0.398 37.619 38.000 0.028 0.000 1.057 372 I HN 0.249 nan 8.210 nan 0.000 0.413 373 E N -0.131 120.111 120.200 0.070 0.000 2.268 373 E HA -0.150 4.201 4.350 0.001 0.000 0.195 373 E C 2.308 178.949 176.600 0.069 0.000 0.995 373 E CA 0.829 57.265 56.400 0.060 0.000 0.836 373 E CB -0.471 29.241 29.700 0.021 0.000 0.763 373 E HN 0.515 nan 8.360 nan 0.000 0.491 374 C N -0.130 119.232 119.300 0.103 0.000 2.466 374 C HA -0.016 4.445 4.460 0.001 0.000 0.278 374 C C 2.779 177.819 174.990 0.084 0.000 1.288 374 C CA 0.219 59.310 59.018 0.121 0.000 1.722 374 C CB -0.672 27.223 27.740 0.258 0.000 2.017 374 C HN 0.190 nan 8.230 nan 0.000 0.488 375 V N -0.134 119.849 119.914 0.115 0.000 2.283 375 V HA -0.180 3.940 4.120 0.001 0.000 0.243 375 V C 2.596 178.697 176.094 0.011 0.000 1.039 375 V CA 2.276 64.603 62.300 0.044 0.000 1.016 375 V CB -0.970 30.882 31.823 0.048 0.000 0.650 375 V HN 0.564 nan 8.190 nan 0.000 0.449 376 S N -0.540 115.190 115.700 0.051 0.000 2.368 376 S HA -0.313 4.157 4.470 0.001 0.000 0.226 376 S C 2.207 176.921 174.600 0.190 0.000 1.044 376 S CA 2.287 60.556 58.200 0.116 0.000 1.062 376 S CB -0.288 63.027 63.200 0.191 0.000 0.931 376 S HN 0.444 nan 8.310 nan 0.000 0.440 377 R N 1.053 121.644 120.500 0.151 0.000 2.081 377 R HA 0.001 4.341 4.340 0.001 0.000 0.235 377 R C 2.691 179.050 176.300 0.097 0.000 1.131 377 R CA 1.792 57.977 56.100 0.142 0.000 0.960 377 R CB -1.065 29.286 30.300 0.086 0.000 0.856 377 R HN 0.439 nan 8.270 nan 0.000 0.436 378 S N -0.422 115.301 115.700 0.038 0.000 2.356 378 S HA -0.132 4.338 4.470 0.001 0.000 0.223 378 S C 2.006 176.611 174.600 0.009 0.000 1.032 378 S CA 1.347 59.545 58.200 -0.004 0.000 1.005 378 S CB -0.496 62.673 63.200 -0.051 0.000 0.867 378 S HN 0.426 nan 8.310 nan 0.000 0.449 379 A N 0.936 123.741 122.820 -0.025 0.000 1.849 379 A HA -0.036 4.285 4.320 0.001 0.000 0.217 379 A C 1.939 179.512 177.584 -0.019 0.000 1.202 379 A CA 1.906 53.906 52.037 -0.062 0.000 0.629 379 A CB -1.454 17.324 19.000 -0.371 0.000 0.834 379 A HN 0.668 nan 8.150 nan 0.000 0.447 380 F N -0.015 119.996 119.950 0.102 0.000 2.546 380 F HA 0.014 4.545 4.527 0.007 0.000 0.298 380 F C 2.534 178.361 175.800 0.045 0.000 1.120 380 F CA 0.552 58.601 58.000 0.081 0.000 1.456 380 F CB -0.078 38.951 39.000 0.049 0.000 1.088 380 F HN 0.276 nan 8.300 nan 0.000 0.572 381 A N -0.558 122.354 122.820 0.153 0.000 2.067 381 A HA -0.084 4.237 4.320 0.001 0.000 0.217 381 A C 1.955 179.522 177.584 -0.027 0.000 1.156 381 A CA 1.015 53.087 52.037 0.057 0.000 0.683 381 A CB -0.199 18.816 19.000 0.024 0.000 0.808 381 A HN 0.446 nan 8.150 nan 0.000 0.455 382 Q N -2.428 117.321 119.800 -0.085 0.000 2.245 382 Q HA 0.335 4.676 4.340 0.001 0.000 0.236 382 Q C -0.947 174.667 176.000 -0.642 0.000 0.842 382 Q CA -0.057 55.538 55.803 -0.347 0.000 0.945 382 Q CB 0.870 29.343 28.738 -0.441 0.000 1.122 382 Q HN 0.587 nan 8.270 nan 0.000 0.506 383 F N 0.606 120.541 119.950 -0.026 0.000 2.611 383 F HA 0.397 4.924 4.527 -0.000 0.000 0.324 383 F C 0.146 175.970 175.800 0.039 0.000 1.061 383 F CA -1.192 56.796 58.000 -0.019 0.000 0.954 383 F CB 1.357 40.312 39.000 -0.075 0.000 1.301 383 F HN -0.379 nan 8.300 nan 0.000 0.482 384 K N 0.776 121.328 120.400 0.254 0.000 2.276 384 K HA 0.051 4.372 4.320 0.001 0.000 0.259 384 K C 1.091 177.837 176.600 0.244 0.000 1.001 384 K CA -0.190 56.216 56.287 0.197 0.000 0.927 384 K CB 0.653 33.237 32.500 0.139 0.000 0.969 384 K HN 0.579 nan 8.250 nan 0.000 0.490 385 K N 1.543 122.096 120.400 0.254 0.000 2.113 385 K HA -0.215 4.105 4.320 0.001 0.000 0.208 385 K C 1.055 177.809 176.600 0.256 0.000 1.047 385 K CA 2.235 58.720 56.287 0.329 0.000 0.928 385 K CB 0.031 32.631 32.500 0.168 0.000 0.716 385 K HN 0.694 nan 8.250 nan 0.000 0.446 386 D N -0.518 119.970 120.400 0.148 0.000 2.328 386 D HA -0.084 4.557 4.640 0.001 0.000 0.226 386 D C 0.985 177.316 176.300 0.052 0.000 1.066 386 D CA 0.356 54.412 54.000 0.093 0.000 0.861 386 D CB 0.238 41.079 40.800 0.069 0.000 0.912 386 D HN 0.234 nan 8.370 nan 0.000 0.521 387 Q N 0.095 119.918 119.800 0.039 0.000 2.392 387 Q HA 0.160 4.501 4.340 0.001 0.000 0.203 387 Q C 0.070 175.976 176.000 -0.156 0.000 0.917 387 Q CA 0.216 55.988 55.803 -0.053 0.000 0.939 387 Q CB 1.766 30.481 28.738 -0.038 0.000 1.063 387 Q HN 0.208 nan 8.270 nan 0.000 0.516 388 V N 0.875 120.722 119.914 -0.110 0.000 2.604 388 V HA 0.504 4.625 4.120 0.001 0.000 0.305 388 V C -0.286 175.766 176.094 -0.071 0.000 1.043 388 V CA -0.866 61.310 62.300 -0.207 0.000 0.888 388 V CB 2.592 34.139 31.823 -0.461 0.000 0.995 388 V HN 0.017 nan 8.190 nan 0.000 0.429 389 R N 2.274 122.727 120.500 -0.078 0.000 2.621 389 R HA 0.437 4.778 4.340 0.001 0.000 0.284 389 R C -1.087 175.206 176.300 -0.012 0.000 0.998 389 R CA -0.732 55.365 56.100 -0.005 0.000 0.895 389 R CB 2.035 32.338 30.300 0.004 0.000 1.195 389 R HN 0.734 nan 8.270 nan 0.000 0.450 390 Q N 3.039 122.854 119.800 0.024 0.000 2.373 390 Q HA 0.337 4.677 4.340 0.001 0.000 0.255 390 Q C -0.155 175.848 176.000 0.004 0.000 0.980 390 Q CA 0.146 55.947 55.803 -0.004 0.000 0.882 390 Q CB 1.517 30.275 28.738 0.033 0.000 1.249 390 Q HN 0.611 nan 8.270 nan 0.000 0.438 391 I N -0.060 120.468 120.570 -0.070 0.000 2.984 391 I HA 0.363 4.534 4.170 0.001 0.000 0.303 391 I C -1.854 174.177 176.117 -0.143 0.000 1.381 391 I CA -0.820 60.484 61.300 0.008 0.000 0.988 391 I CB 1.753 39.795 38.000 0.071 0.000 1.307 391 I HN 0.566 nan 8.210 nan 0.000 0.460 392 W N 3.795 125.123 121.300 0.046 0.000 2.606 392 W HA 0.573 5.233 4.660 -0.001 0.000 0.332 392 W C 0.152 176.753 176.519 0.136 0.000 1.052 392 W CA -0.370 57.003 57.345 0.046 0.000 1.223 392 W CB 1.909 31.378 29.460 0.016 0.000 1.383 392 W HN 0.299 nan 8.180 nan 0.000 0.524 393 S N 1.106 117.026 115.700 0.366 0.000 2.565 393 S HA 0.396 4.866 4.470 0.001 0.000 0.274 393 S C 1.050 175.846 174.600 0.326 0.000 1.309 393 S CA 0.174 58.652 58.200 0.464 0.000 1.043 393 S CB 0.818 64.336 63.200 0.530 0.000 0.939 393 S HN 0.715 nan 8.310 nan 0.000 0.504 394 G N 2.634 111.581 108.800 0.244 0.000 2.662 394 G HA2 0.444 4.404 3.960 0.001 0.000 0.212 394 G HA3 0.444 4.404 3.960 0.001 0.000 0.212 394 G C 0.306 175.238 174.900 0.054 0.000 1.141 394 G CA 0.427 45.604 45.100 0.128 0.000 0.797 394 G HN 0.953 nan 8.290 nan 0.000 0.531 395 A N -0.105 122.719 122.820 0.007 0.000 2.320 395 A HA 0.756 5.076 4.320 0.001 0.000 0.334 395 A C 0.555 177.953 177.584 -0.310 0.000 1.147 395 A CA 0.045 51.994 52.037 -0.147 0.000 0.820 395 A CB 1.033 19.903 19.000 -0.216 0.000 1.218 395 A HN 0.487 nan 8.150 nan 0.000 0.482 396 G N 0.409 109.058 108.800 -0.250 0.000 2.503 396 G HA2 0.541 4.502 3.960 0.001 0.000 0.257 396 G HA3 0.541 4.502 3.960 0.001 0.000 0.257 396 G C -0.365 174.258 174.900 -0.462 0.000 1.214 396 G CA -0.139 44.818 45.100 -0.238 0.000 0.839 396 G HN 0.758 nan 8.290 nan 0.000 0.559 397 H N -0.362 118.799 119.070 0.152 0.000 2.960 397 H HA 0.257 4.813 4.556 0.001 0.000 0.338 397 H C 0.281 175.683 175.328 0.124 0.000 1.261 397 H CA -0.811 55.350 56.048 0.188 0.000 1.136 397 H CB 1.695 31.629 29.762 0.287 0.000 1.875 397 H HN 0.462 nan 8.280 nan 0.000 0.550 398 D N 0.162 120.716 120.400 0.256 0.000 2.218 398 D HA -0.090 4.550 4.640 0.001 0.000 0.204 398 D C 1.423 177.699 176.300 -0.041 0.000 0.976 398 D CA 1.038 55.002 54.000 -0.059 0.000 0.853 398 D CB 0.154 40.759 40.800 -0.325 0.000 0.939 398 D HN 0.288 nan 8.370 nan 0.000 0.481 399 S N 0.335 116.176 115.700 0.236 0.000 2.420 399 S HA -0.163 4.308 4.470 0.001 0.000 0.237 399 S C 2.217 177.010 174.600 0.321 0.000 1.023 399 S CA 0.434 58.825 58.200 0.318 0.000 0.991 399 S CB -0.304 63.088 63.200 0.320 0.000 0.792 399 S HN 0.407 nan 8.310 nan 0.000 0.488 400 C N 1.371 120.809 119.300 0.231 0.000 2.413 400 C HA -0.058 4.403 4.460 0.001 0.000 0.277 400 C C 2.801 177.810 174.990 0.031 0.000 1.265 400 C CA 0.510 59.590 59.018 0.105 0.000 1.752 400 C CB -1.061 26.707 27.740 0.048 0.000 1.998 400 C HN 0.532 nan 8.230 nan 0.000 0.489 401 Q N 0.220 120.008 119.800 -0.020 0.000 2.187 401 Q HA -0.077 4.264 4.340 0.001 0.000 0.199 401 Q C 2.391 178.420 176.000 0.048 0.000 0.957 401 Q CA 2.092 57.876 55.803 -0.031 0.000 0.857 401 Q CB -0.872 27.785 28.738 -0.135 0.000 0.929 401 Q HN 0.879 nan 8.270 nan 0.000 0.453 402 T N -2.272 112.285 114.554 0.006 0.000 2.976 402 T HA 0.177 4.527 4.350 0.001 0.000 0.257 402 T C 2.004 176.800 174.700 0.159 0.000 1.051 402 T CA 0.866 63.045 62.100 0.130 0.000 1.141 402 T CB -0.209 68.600 68.868 -0.098 0.000 0.881 402 T HN 0.140 nan 8.240 nan 0.000 0.461 403 A N 3.543 126.449 122.820 0.144 0.000 1.929 403 A HA -0.096 4.224 4.320 0.001 0.000 0.221 403 A C 0.658 178.256 177.584 0.024 0.000 1.211 403 A CA 1.991 54.113 52.037 0.143 0.000 0.657 403 A CB -1.858 17.233 19.000 0.153 0.000 0.827 403 A HN 0.618 nan 8.150 nan 0.000 0.462 404 P HA -0.087 nan 4.420 nan 0.000 0.233 404 P C 0.686 177.763 177.300 -0.371 0.000 1.167 404 P CA 1.238 64.176 63.100 -0.269 0.000 0.770 404 P CB -0.163 31.291 31.700 -0.410 0.000 0.837 405 H N -0.782 118.237 119.070 -0.085 0.000 2.481 405 H HA 0.182 4.739 4.556 0.001 0.000 0.291 405 H C 1.086 176.426 175.328 0.021 0.000 1.009 405 H CA 0.693 56.644 56.048 -0.162 0.000 1.282 405 H CB 0.626 30.128 29.762 -0.434 0.000 1.457 405 H HN 0.015 nan 8.280 nan 0.000 0.525 406 V N -1.442 118.609 119.914 0.229 0.000 3.040 406 V HA 0.513 4.634 4.120 0.001 0.000 0.312 406 V C -2.878 173.321 176.094 0.175 0.000 1.115 406 V CA -2.925 59.505 62.300 0.216 0.000 0.998 406 V CB 2.482 34.464 31.823 0.264 0.000 1.042 406 V HN -0.184 nan 8.190 nan 0.000 0.433 407 P HA 0.285 nan 4.420 nan 0.000 0.261 407 P C -0.320 176.885 177.300 -0.158 0.000 1.203 407 P CA 0.842 63.922 63.100 -0.034 0.000 0.767 407 P CB 0.194 31.644 31.700 -0.417 0.000 0.785 408 T N 0.919 115.424 114.554 -0.081 0.000 2.883 408 T HA 0.741 5.091 4.350 0.001 0.000 0.301 408 T C -1.080 173.363 174.700 -0.427 0.000 1.158 408 T CA -0.521 61.424 62.100 -0.259 0.000 1.007 408 T CB 1.482 70.363 68.868 0.022 0.000 1.186 408 T HN 0.216 nan 8.240 nan 0.000 0.499 409 S N 1.714 116.922 115.700 -0.821 0.000 2.615 409 S HA 0.698 5.168 4.470 0.001 0.000 0.268 409 S C -1.968 172.137 174.600 -0.825 0.000 1.146 409 S CA -0.789 56.830 58.200 -0.968 0.000 0.818 409 S CB 1.374 64.263 63.200 -0.519 0.000 1.111 409 S HN 0.880 nan 8.310 nan 0.000 0.465 410 M N 2.331 121.508 119.600 -0.705 0.000 2.501 410 M HA 0.564 5.045 4.480 0.001 0.000 0.293 410 M C -1.605 174.495 176.300 -0.332 0.000 1.192 410 M CA -0.497 54.499 55.300 -0.507 0.000 0.886 410 M CB 2.109 34.345 32.600 -0.607 0.000 1.710 410 M HN 0.575 nan 8.290 nan 0.000 0.457 411 I N 2.088 122.553 120.570 -0.174 0.000 2.466 411 I HA 0.457 4.628 4.170 0.001 0.000 0.289 411 I C -1.162 175.034 176.117 0.131 0.000 1.026 411 I CA -0.313 60.936 61.300 -0.085 0.000 1.078 411 I CB 1.649 39.627 38.000 -0.036 0.000 1.249 411 I HN 0.552 nan 8.210 nan 0.000 0.429 412 F N 6.196 126.107 119.950 -0.067 0.000 2.425 412 F HA 0.631 5.158 4.527 0.001 0.000 0.331 412 F C 0.299 176.051 175.800 -0.080 0.000 1.085 412 F CA -1.114 56.855 58.000 -0.052 0.000 1.028 412 F CB 1.948 40.925 39.000 -0.038 0.000 1.177 412 F HN 0.336 nan 8.300 nan 0.000 0.487 413 I N 0.628 121.255 120.570 0.095 0.000 2.740 413 I HA 0.593 4.764 4.170 0.001 0.000 0.303 413 I C -2.930 173.135 176.117 -0.087 0.000 1.044 413 I CA -3.079 58.203 61.300 -0.031 0.000 1.064 413 I CB 1.614 39.574 38.000 -0.067 0.000 1.249 413 I HN 0.203 nan 8.210 nan 0.000 0.433 414 P HA 0.050 nan 4.420 nan 0.000 0.266 414 P C -0.954 176.257 177.300 -0.149 0.000 1.193 414 P CA 0.197 63.229 63.100 -0.113 0.000 0.770 414 P CB 0.500 32.137 31.700 -0.105 0.000 0.836 415 S N 2.026 117.651 115.700 -0.124 0.000 2.596 415 S HA 0.238 4.708 4.470 0.001 0.000 0.318 415 S C -0.268 174.299 174.600 -0.055 0.000 1.097 415 S CA -0.839 57.294 58.200 -0.112 0.000 1.080 415 S CB 0.664 63.799 63.200 -0.107 0.000 0.991 415 S HN 0.314 nan 8.310 nan 0.000 0.471 416 K N 2.152 122.543 120.400 -0.016 0.000 2.530 416 K HA -0.079 4.242 4.320 0.001 0.000 0.280 416 K C -0.356 176.262 176.600 0.030 0.000 1.004 416 K CA 0.637 56.955 56.287 0.051 0.000 1.071 416 K CB 0.054 32.663 32.500 0.180 0.000 0.876 416 K HN 0.574 nan 8.250 nan 0.000 0.487 417 D N 2.737 123.143 120.400 0.011 0.000 3.039 417 D HA -0.200 4.441 4.640 0.001 0.000 0.222 417 D C 0.591 176.882 176.300 -0.015 0.000 1.179 417 D CA 1.709 55.707 54.000 -0.005 0.000 0.880 417 D CB -1.434 39.361 40.800 -0.008 0.000 1.115 417 D HN 0.996 nan 8.370 nan 0.000 0.416 418 G N -0.769 108.018 108.800 -0.023 0.000 2.179 418 G HA2 -0.262 3.698 3.960 0.001 0.000 0.257 418 G HA3 -0.262 3.698 3.960 0.001 0.000 0.257 418 G C 0.091 174.967 174.900 -0.040 0.000 1.010 418 G CA 0.625 45.702 45.100 -0.039 0.000 0.736 418 G HN 0.629 nan 8.290 nan 0.000 0.513 419 L N -0.011 121.201 121.223 -0.018 0.000 2.331 419 L HA 0.938 5.279 4.340 0.001 0.000 0.275 419 L C 0.099 176.977 176.870 0.012 0.000 1.022 419 L CA 0.241 55.081 54.840 0.001 0.000 0.812 419 L CB 2.220 44.297 42.059 0.031 0.000 1.257 419 L HN 0.505 nan 8.230 nan 0.000 0.435 420 S N 0.796 116.504 115.700 0.014 0.000 2.656 420 S HA 0.322 4.793 4.470 0.001 0.000 0.265 420 S C -0.952 173.687 174.600 0.066 0.000 1.132 420 S CA -0.347 57.861 58.200 0.014 0.000 0.819 420 S CB 0.269 63.407 63.200 -0.104 0.000 1.119 420 S HN 0.906 nan 8.310 nan 0.000 0.476 421 H N 0.711 119.816 119.070 0.059 0.000 2.445 421 H HA -0.157 4.400 4.556 0.002 0.000 0.322 421 H C -0.156 175.161 175.328 -0.019 0.000 1.053 421 H CA 1.165 57.232 56.048 0.032 0.000 1.109 421 H CB -1.030 28.743 29.762 0.017 0.000 1.546 421 H HN 0.427 nan 8.280 nan 0.000 0.397 422 N N -0.629 118.133 118.700 0.103 0.000 2.636 422 N HA -0.005 4.736 4.740 0.001 0.000 0.261 422 N C 0.401 175.942 175.510 0.052 0.000 1.195 422 N CA -0.587 52.460 53.050 -0.005 0.000 0.902 422 N CB 0.942 39.458 38.487 0.049 0.000 1.627 422 N HN 0.128 nan 8.380 nan 0.000 0.491 423 Y N 0.852 121.110 120.300 -0.069 0.000 2.256 423 Y HA -0.184 4.366 4.550 0.001 0.000 0.288 423 Y C 0.858 176.631 175.900 -0.212 0.000 1.155 423 Y CA 1.104 59.091 58.100 -0.189 0.000 1.203 423 Y CB 0.052 38.261 38.460 -0.420 0.000 0.980 423 Y HN 0.546 nan 8.280 nan 0.000 0.530 424 Y N 0.399 120.755 120.300 0.094 0.000 2.470 424 Y HA 0.060 4.610 4.550 0.001 0.000 0.284 424 Y C 0.763 176.758 175.900 0.159 0.000 1.188 424 Y CA -0.430 57.646 58.100 -0.039 0.000 1.269 424 Y CB -0.252 38.036 38.460 -0.286 0.000 1.094 424 Y HN 0.023 nan 8.280 nan 0.000 0.518 425 E N 1.090 121.475 120.200 0.309 0.000 2.465 425 E HA -0.079 4.272 4.350 0.001 0.000 0.260 425 E C -1.413 175.465 176.600 0.464 0.000 0.980 425 E CA 0.163 56.748 56.400 0.307 0.000 0.927 425 E CB 0.379 30.244 29.700 0.276 0.000 0.934 425 E HN 0.300 nan 8.360 nan 0.000 0.459 426 Y N 2.163 122.530 120.300 0.111 0.000 2.470 426 Y HA 0.344 4.895 4.550 0.001 0.000 0.341 426 Y C -1.354 174.329 175.900 -0.361 0.000 1.021 426 Y CA -0.653 57.408 58.100 -0.066 0.000 1.025 426 Y CB 2.033 40.511 38.460 0.031 0.000 1.266 426 Y HN 0.394 nan 8.280 nan 0.000 0.448 427 S N 2.946 117.761 115.700 -1.475 0.000 2.575 427 S HA 0.475 4.946 4.470 0.001 0.000 0.278 427 S C -0.999 172.760 174.600 -1.401 0.000 1.139 427 S CA -0.885 56.587 58.200 -1.213 0.000 0.954 427 S CB 1.408 64.090 63.200 -0.863 0.000 1.054 427 S HN 0.779 nan 8.310 nan 0.000 0.483 428 S N 2.584 117.722 115.700 -0.937 0.000 2.603 428 S HA 0.379 4.850 4.470 0.001 0.000 0.268 428 S C -2.044 172.365 174.600 -0.319 0.000 1.317 428 S CA -0.936 56.901 58.200 -0.606 0.000 1.012 428 S CB 0.394 63.449 63.200 -0.243 0.000 0.926 428 S HN 0.356 nan 8.310 nan 0.000 0.539 429 P HA -0.094 nan 4.420 nan 0.000 0.218 429 P C 1.377 178.649 177.300 -0.047 0.000 1.148 429 P CA 1.425 64.485 63.100 -0.066 0.000 0.822 429 P CB 0.004 31.703 31.700 -0.003 0.000 0.784 430 E N 0.679 120.855 120.200 -0.041 0.000 2.047 430 E HA -0.220 4.131 4.350 0.001 0.000 0.191 430 E C 1.801 178.391 176.600 -0.016 0.000 0.987 430 E CA 1.317 57.712 56.400 -0.008 0.000 0.799 430 E CB -0.567 29.136 29.700 0.006 0.000 0.752 430 E HN 0.186 nan 8.360 nan 0.000 0.449 431 E N 0.348 120.501 120.200 -0.079 0.000 2.085 431 E HA -0.179 4.171 4.350 0.001 0.000 0.194 431 E C 2.168 178.726 176.600 -0.070 0.000 0.994 431 E CA 1.511 57.853 56.400 -0.096 0.000 0.801 431 E CB -0.149 29.446 29.700 -0.174 0.000 0.743 431 E HN 0.392 nan 8.360 nan 0.000 0.453 432 I N 0.748 121.265 120.570 -0.087 0.000 2.179 432 I HA -0.279 3.892 4.170 0.001 0.000 0.242 432 I C 2.516 178.669 176.117 0.060 0.000 1.088 432 I CA 1.133 62.412 61.300 -0.034 0.000 1.357 432 I CB -0.110 37.859 38.000 -0.052 0.000 1.051 432 I HN 0.078 nan 8.210 nan 0.000 0.409 433 E N 1.413 121.654 120.200 0.069 0.000 2.048 433 E HA -0.273 4.078 4.350 0.001 0.000 0.202 433 E C 1.896 178.613 176.600 0.195 0.000 1.021 433 E CA 1.983 58.473 56.400 0.149 0.000 0.825 433 E CB -0.144 29.616 29.700 0.099 0.000 0.756 433 E HN 0.344 nan 8.360 nan 0.000 0.454 434 N N -0.286 118.512 118.700 0.164 0.000 2.104 434 N HA -0.125 4.616 4.740 0.001 0.000 0.190 434 N C 1.740 177.356 175.510 0.177 0.000 1.024 434 N CA 1.397 54.609 53.050 0.270 0.000 0.853 434 N CB -0.939 37.714 38.487 0.276 0.000 1.008 434 N HN 0.351 nan 8.380 nan 0.000 0.424 435 G N 0.273 109.123 108.800 0.084 0.000 2.421 435 G HA2 -0.249 3.712 3.960 0.001 0.000 0.216 435 G HA3 -0.249 3.712 3.960 0.001 0.000 0.216 435 G C 1.409 176.354 174.900 0.074 0.000 1.171 435 G CA 0.528 45.657 45.100 0.048 0.000 0.775 435 G HN 0.342 nan 8.290 nan 0.000 0.543 436 F N 1.664 121.604 119.950 -0.016 0.000 2.126 436 F HA 0.012 4.540 4.527 0.002 0.000 0.299 436 F C 2.555 178.333 175.800 -0.037 0.000 1.096 436 F CA 1.862 59.840 58.000 -0.037 0.000 1.255 436 F CB -0.275 38.702 39.000 -0.039 0.000 0.997 436 F HN 0.062 nan 8.300 nan 0.000 0.479 437 K N 0.029 120.225 120.400 -0.340 0.000 2.103 437 K HA -0.148 4.172 4.320 0.001 0.000 0.207 437 K C 2.018 178.450 176.600 -0.280 0.000 1.048 437 K CA 1.717 57.759 56.287 -0.408 0.000 0.930 437 K CB -0.430 31.987 32.500 -0.139 0.000 0.716 437 K HN 0.250 nan 8.250 nan 0.000 0.444 438 V N 0.974 120.823 119.914 -0.109 0.000 2.379 438 V HA -0.204 3.916 4.120 0.001 0.000 0.245 438 V C 2.065 178.057 176.094 -0.169 0.000 1.044 438 V CA 1.330 63.581 62.300 -0.082 0.000 1.036 438 V CB -0.335 31.481 31.823 -0.011 0.000 0.664 438 V HN 0.275 nan 8.190 nan 0.000 0.453 439 L N 0.098 121.211 121.223 -0.183 0.000 1.989 439 L HA -0.180 4.161 4.340 0.001 0.000 0.211 439 L C 2.288 178.980 176.870 -0.295 0.000 1.071 439 L CA 2.156 56.873 54.840 -0.205 0.000 0.749 439 L CB -0.703 41.291 42.059 -0.107 0.000 0.890 439 L HN 0.324 nan 8.230 nan 0.000 0.431 440 L N -0.203 120.772 121.223 -0.413 0.000 1.978 440 L HA -0.308 4.033 4.340 0.001 0.000 0.218 440 L C 2.566 179.277 176.870 -0.265 0.000 1.075 440 L CA 2.570 57.162 54.840 -0.414 0.000 0.767 440 L CB -1.098 40.545 42.059 -0.693 0.000 0.890 440 L HN 0.595 nan 8.230 nan 0.000 0.434 441 Q N -0.990 118.655 119.800 -0.258 0.000 2.167 441 Q HA -0.125 4.215 4.340 0.001 0.000 0.202 441 Q C 2.116 178.026 176.000 -0.151 0.000 0.970 441 Q CA 1.695 57.396 55.803 -0.170 0.000 0.855 441 Q CB -0.242 28.407 28.738 -0.148 0.000 0.911 441 Q HN 0.689 nan 8.270 nan 0.000 0.438 442 A N 0.526 123.214 122.820 -0.221 0.000 1.902 442 A HA -0.183 4.138 4.320 0.001 0.000 0.217 442 A C 2.008 179.342 177.584 -0.417 0.000 1.181 442 A CA 1.419 53.274 52.037 -0.304 0.000 0.623 442 A CB -0.700 18.058 19.000 -0.404 0.000 0.818 442 A HN 0.496 nan 8.150 nan 0.000 0.443 443 I N -0.412 119.901 120.570 -0.428 0.000 2.179 443 I HA -0.274 3.897 4.170 0.001 0.000 0.242 443 I C 2.303 178.452 176.117 0.054 0.000 1.088 443 I CA 1.466 62.621 61.300 -0.241 0.000 1.357 443 I CB -0.340 37.581 38.000 -0.131 0.000 1.051 443 I HN 0.311 nan 8.210 nan 0.000 0.409 444 I N 0.707 121.320 120.570 0.072 0.000 2.264 444 I HA -0.340 3.830 4.170 0.001 0.000 0.248 444 I C 2.121 178.313 176.117 0.125 0.000 1.111 444 I CA 1.758 63.139 61.300 0.134 0.000 1.382 444 I CB -0.611 37.403 38.000 0.022 0.000 1.060 444 I HN 0.314 nan 8.210 nan 0.000 0.418 445 N N -0.218 118.523 118.700 0.068 0.000 2.058 445 N HA -0.257 4.483 4.740 0.001 0.000 0.191 445 N C 2.031 177.644 175.510 0.172 0.000 1.037 445 N CA 1.308 54.414 53.050 0.094 0.000 0.848 445 N CB -0.226 38.292 38.487 0.051 0.000 1.021 445 N HN 0.264 nan 8.380 nan 0.000 0.422 446 Y N 1.896 122.247 120.300 0.085 0.000 2.181 446 Y HA -0.248 4.302 4.550 0.001 0.000 0.288 446 Y C 2.129 178.176 175.900 0.246 0.000 1.146 446 Y CA 1.703 59.932 58.100 0.215 0.000 1.164 446 Y CB -0.378 38.243 38.460 0.268 0.000 0.982 446 Y HN 0.070 nan 8.280 nan 0.000 0.515 447 D N -0.370 120.217 120.400 0.313 0.000 2.104 447 D HA -0.229 4.412 4.640 0.001 0.000 0.194 447 D C 1.859 178.264 176.300 0.176 0.000 0.994 447 D CA 1.776 55.935 54.000 0.264 0.000 0.830 447 D CB -0.342 40.638 40.800 0.299 0.000 0.959 447 D HN 0.281 nan 8.370 nan 0.000 0.452 448 N N -0.833 117.964 118.700 0.161 0.000 2.149 448 N HA -0.208 4.533 4.740 0.001 0.000 0.188 448 N C 1.707 177.280 175.510 0.105 0.000 1.019 448 N CA 0.794 53.921 53.050 0.128 0.000 0.857 448 N CB -0.507 38.056 38.487 0.126 0.000 0.997 448 N HN 0.454 nan 8.380 nan 0.000 0.426 449 Y N 2.012 122.272 120.300 -0.067 0.000 2.181 449 Y HA -0.173 4.378 4.550 0.002 0.000 0.288 449 Y C 2.409 178.204 175.900 -0.175 0.000 1.146 449 Y CA 1.440 59.459 58.100 -0.135 0.000 1.164 449 Y CB -0.013 38.315 38.460 -0.219 0.000 0.982 449 Y HN -0.041 nan 8.280 nan 0.000 0.515 450 R N -0.331 119.931 120.500 -0.396 0.000 2.119 450 R HA -0.212 4.129 4.340 0.001 0.000 0.246 450 R C 2.104 178.267 176.300 -0.228 0.000 1.146 450 R CA 1.862 57.679 56.100 -0.471 0.000 0.962 450 R CB -0.822 29.182 30.300 -0.492 0.000 0.863 450 R HN 0.293 nan 8.270 nan 0.000 0.442 451 V N 1.306 121.222 119.914 0.004 0.000 2.255 451 V HA -0.268 3.853 4.120 0.001 0.000 0.247 451 V C 2.224 178.292 176.094 -0.043 0.000 1.051 451 V CA 1.990 64.325 62.300 0.059 0.000 1.018 451 V CB -0.405 31.459 31.823 0.069 0.000 0.641 451 V HN 0.250 nan 8.190 nan 0.000 0.445 452 I N -0.950 119.568 120.570 -0.087 0.000 2.315 452 I HA -0.130 4.041 4.170 0.001 0.000 0.248 452 I C 1.850 177.865 176.117 -0.170 0.000 1.117 452 I CA 0.939 62.188 61.300 -0.084 0.000 1.404 452 I CB -0.283 37.712 38.000 -0.008 0.000 1.071 452 I HN 0.210 nan 8.210 nan 0.000 0.419 453 R N 0.000 120.264 120.500 -0.393 0.000 2.786 453 R HA 0.000 4.341 4.340 0.001 0.000 0.208 453 R CA 0.000 55.843 56.100 -0.428 0.000 0.921 453 R CB 0.000 29.826 30.300 -0.789 0.000 0.687 453 R HN 0.000 nan 8.270 nan 0.000 0.535