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 2ceo_1_A DATA FIRST_RESID 20 DATA SEQUENCE YKMSSINADF AFNLYRRFTV ETPDKNIFFS PVSISAALVM LSFGACCSTQ DATA SEQUENCE TEIVETLGFN LTDTPMVEIQ HGFQHLICSL NFPKKELELQ IGNALFIGKH DATA SEQUENCE LKPLAKFLND VKTLYETEVF STDFSNISAA KQEINSHVEM QTKGKVVGLI DATA SEQUENCE QDLKPNTIMV LVNYIHFKAQ WANPFDPSKT EDSSSFLIDK TTTVQVPMMH DATA SEQUENCE QMEQYYHLVD MELNCTVLQM DYSKNALALF VLPKEGQMES VEAAMSSKTL DATA SEQUENCE KKWNRLLQKG WVDLFVPKFS ISATYDLGAT LLKMGIQHAY SENADFSGLT DATA SEQUENCE EDNGLKLSNA AHKAVLHIGE KGTEAAAVPE XXXXXXXXNT FLHPIIQIDR DATA SEQUENCE SFMLLILERS TRSILFLGKV VNPTE 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 20 Y HA 0.000 nan 4.550 nan 0.000 0.201 20 Y C 0.000 175.899 175.900 -0.001 0.000 1.272 20 Y CA 0.000 58.097 58.100 -0.005 0.000 1.940 20 Y CB 0.000 38.456 38.460 -0.006 0.000 1.050 21 K N 0.184 120.766 120.400 0.302 0.000 2.147 21 K HA -0.118 4.710 4.320 0.847 0.000 0.205 21 K C 1.744 178.450 176.600 0.177 0.000 1.049 21 K CA 2.197 58.584 56.287 0.167 0.000 0.936 21 K CB -0.059 32.505 32.500 0.106 0.000 0.722 21 K HN 0.721 nan 8.250 nan 0.000 0.446 22 M N 0.792 120.553 119.600 0.268 0.000 2.117 22 M HA -0.194 4.794 4.480 0.847 0.000 0.262 22 M C 1.821 178.229 176.300 0.180 0.000 1.065 22 M CA 1.629 57.076 55.300 0.245 0.000 1.114 22 M CB 0.048 32.728 32.600 0.133 0.000 1.361 22 M HN 0.023 nan 8.290 nan 0.000 0.408 23 S N -0.187 115.646 115.700 0.222 0.000 2.365 23 S HA -0.191 4.787 4.470 0.847 0.000 0.225 23 S C 1.960 176.571 174.600 0.018 0.000 1.039 23 S CA 1.775 60.005 58.200 0.051 0.000 1.033 23 S CB -0.611 62.549 63.200 -0.066 0.000 0.887 23 S HN 0.612 nan 8.310 nan 0.000 0.447 24 S N 1.003 116.723 115.700 0.034 0.000 2.356 24 S HA 0.026 5.004 4.470 0.847 0.000 0.223 24 S C 1.768 176.355 174.600 -0.022 0.000 1.032 24 S CA 0.909 59.115 58.200 0.011 0.000 1.005 24 S CB -0.402 62.811 63.200 0.022 0.000 0.867 24 S HN 0.457 nan 8.310 nan 0.000 0.449 25 I N 1.741 122.272 120.570 -0.066 0.000 2.394 25 I HA -0.131 4.547 4.170 0.847 0.000 0.251 25 I C 1.840 177.858 176.117 -0.165 0.000 1.136 25 I CA 0.763 61.938 61.300 -0.208 0.000 1.425 25 I CB -0.314 37.382 38.000 -0.507 0.000 1.079 25 I HN 0.282 nan 8.210 nan 0.000 0.425 26 N N 1.023 119.688 118.700 -0.057 0.000 2.300 26 N HA -0.036 5.212 4.740 0.847 0.000 0.179 26 N C 1.876 177.397 175.510 0.017 0.000 1.016 26 N CA 1.318 54.394 53.050 0.043 0.000 0.876 26 N CB -0.251 38.281 38.487 0.074 0.000 0.979 26 N HN 0.292 nan 8.380 nan 0.000 0.432 27 A N 1.056 123.837 122.820 -0.065 0.000 1.930 27 A HA -0.101 4.727 4.320 0.847 0.000 0.217 27 A C 1.752 179.196 177.584 -0.234 0.000 1.175 27 A CA 1.316 53.223 52.037 -0.217 0.000 0.627 27 A CB -0.299 18.644 19.000 -0.096 0.000 0.815 27 A HN 0.077 nan 8.150 nan 0.000 0.443 28 D N -0.976 119.421 120.400 -0.005 0.000 2.117 28 D HA -0.133 5.015 4.640 0.847 0.000 0.197 28 D C 1.612 177.953 176.300 0.069 0.000 0.987 28 D CA 1.199 55.253 54.000 0.089 0.000 0.829 28 D CB -0.407 40.430 40.800 0.062 0.000 0.961 28 D HN 0.452 nan 8.370 nan 0.000 0.460 29 F N 1.955 121.856 119.950 -0.082 0.000 2.095 29 F HA -0.195 4.841 4.527 0.847 0.000 0.298 29 F C 2.229 178.006 175.800 -0.039 0.000 1.104 29 F CA 1.602 59.569 58.000 -0.055 0.000 1.232 29 F CB -0.390 38.583 39.000 -0.045 0.000 0.987 29 F HN -0.065 nan 8.300 nan 0.000 0.475 30 A N 0.132 122.884 122.820 -0.112 0.000 1.892 30 A HA -0.240 4.588 4.320 0.847 0.000 0.218 30 A C 2.208 179.708 177.584 -0.140 0.000 1.188 30 A CA 2.131 54.046 52.037 -0.203 0.000 0.631 30 A CB -1.666 17.054 19.000 -0.466 0.000 0.822 30 A HN 0.516 nan 8.150 nan 0.000 0.447 31 F N -0.396 119.583 119.950 0.048 0.000 2.367 31 F HA -0.035 5.000 4.527 0.847 0.000 0.298 31 F C 2.229 178.066 175.800 0.063 0.000 1.094 31 F CA 0.908 58.954 58.000 0.077 0.000 1.409 31 F CB -0.303 38.703 39.000 0.010 0.000 1.064 31 F HN 0.270 nan 8.300 nan 0.000 0.528 32 N N 0.501 119.243 118.700 0.069 0.000 2.135 32 N HA -0.149 5.099 4.740 0.847 0.000 0.186 32 N C 1.746 177.114 175.510 -0.236 0.000 1.027 32 N CA 0.617 53.632 53.050 -0.060 0.000 0.849 32 N CB -0.182 38.251 38.487 -0.090 0.000 1.002 32 N HN 0.060 nan 8.380 nan 0.000 0.425 33 L N 0.507 121.438 121.223 -0.487 0.000 2.079 33 L HA -0.175 4.673 4.340 0.847 0.000 0.210 33 L C 1.968 178.440 176.870 -0.662 0.000 1.081 33 L CA 1.566 55.944 54.840 -0.769 0.000 0.752 33 L CB -0.873 40.566 42.059 -1.033 0.000 0.896 33 L HN 0.239 nan 8.230 nan 0.000 0.433 34 Y N 0.257 120.465 120.300 -0.153 0.000 2.145 34 Y HA -0.256 4.803 4.550 0.847 0.000 0.286 34 Y C 2.712 178.662 175.900 0.083 0.000 1.145 34 Y CA 1.978 60.204 58.100 0.210 0.000 1.148 34 Y CB -0.193 38.540 38.460 0.454 0.000 0.981 34 Y HN 0.123 nan 8.280 nan 0.000 0.507 35 R N -0.211 120.319 120.500 0.051 0.000 2.081 35 R HA -0.149 4.699 4.340 0.847 0.000 0.235 35 R C 2.338 178.546 176.300 -0.153 0.000 1.131 35 R CA 1.381 57.459 56.100 -0.037 0.000 0.960 35 R CB -0.190 30.143 30.300 0.055 0.000 0.856 35 R HN 0.261 nan 8.270 nan 0.000 0.436 36 R N 0.126 120.471 120.500 -0.258 0.000 2.091 36 R HA -0.136 4.712 4.340 0.847 0.000 0.238 36 R C 2.138 178.306 176.300 -0.219 0.000 1.136 36 R CA 1.473 57.401 56.100 -0.288 0.000 0.959 36 R CB -0.715 29.319 30.300 -0.444 0.000 0.856 36 R HN 0.334 nan 8.270 nan 0.000 0.437 37 F N 0.872 120.687 119.950 -0.225 0.000 2.216 37 F HA -0.191 4.843 4.527 0.847 0.000 0.300 37 F C 2.661 178.366 175.800 -0.159 0.000 1.085 37 F CA 1.260 59.142 58.000 -0.196 0.000 1.326 37 F CB -0.388 38.457 39.000 -0.258 0.000 1.027 37 F HN 0.179 nan 8.300 nan 0.000 0.497 38 T N -2.147 112.366 114.554 -0.068 0.000 2.951 38 T HA -0.110 4.748 4.350 0.847 0.000 0.268 38 T C 1.818 176.513 174.700 -0.009 0.000 1.073 38 T CA 1.186 63.245 62.100 -0.068 0.000 1.134 38 T CB -0.882 67.913 68.868 -0.121 0.000 0.884 38 T HN 0.239 nan 8.240 nan 0.000 0.479 39 V N -0.995 118.912 119.914 -0.011 0.000 2.725 39 V HA 0.126 4.754 4.120 0.847 0.000 0.247 39 V C 2.495 178.603 176.094 0.023 0.000 1.058 39 V CA 0.708 63.008 62.300 0.001 0.000 1.080 39 V CB -0.492 31.323 31.823 -0.013 0.000 0.713 39 V HN 0.177 nan 8.190 nan 0.000 0.465 40 E N 2.454 122.684 120.200 0.049 0.000 2.007 40 E HA -0.072 4.786 4.350 0.847 0.000 0.194 40 E C 1.330 177.975 176.600 0.075 0.000 0.999 40 E CA 2.085 58.533 56.400 0.080 0.000 0.811 40 E CB -0.624 29.170 29.700 0.158 0.000 0.762 40 E HN 0.823 nan 8.360 nan 0.000 0.450 41 T N 0.810 115.420 114.554 0.093 0.000 3.053 41 T HA 0.467 5.326 4.350 0.847 0.000 0.363 41 T C -2.770 171.961 174.700 0.052 0.000 1.239 41 T CA -2.186 59.954 62.100 0.067 0.000 1.071 41 T CB 1.459 70.370 68.868 0.071 0.000 1.089 41 T HN -0.227 nan 8.240 nan 0.000 0.527 42 P HA 0.319 nan 4.420 nan 0.000 0.275 42 P C 0.224 177.545 177.300 0.035 0.000 1.228 42 P CA 0.119 63.239 63.100 0.032 0.000 0.786 42 P CB 0.353 32.069 31.700 0.026 0.000 0.927 43 D N -0.781 119.643 120.400 0.040 0.000 2.911 43 D HA -0.179 4.969 4.640 0.847 0.000 0.227 43 D C -0.177 176.148 176.300 0.041 0.000 1.164 43 D CA 1.437 55.462 54.000 0.042 0.000 0.782 43 D CB -0.719 40.102 40.800 0.034 0.000 1.094 43 D HN 0.525 nan 8.370 nan 0.000 0.425 44 K N -0.205 120.223 120.400 0.046 0.000 2.443 44 K HA 0.321 5.149 4.320 0.847 0.000 0.251 44 K C 0.093 176.731 176.600 0.063 0.000 0.972 44 K CA -0.888 55.425 56.287 0.043 0.000 0.833 44 K CB 1.280 33.799 32.500 0.032 0.000 1.317 44 K HN -0.158 nan 8.250 nan 0.000 0.441 45 N N 1.329 120.062 118.700 0.054 0.000 2.407 45 N HA 0.073 5.321 4.740 0.847 0.000 0.250 45 N C -0.481 175.125 175.510 0.160 0.000 1.236 45 N CA 0.652 53.753 53.050 0.085 0.000 0.879 45 N CB 0.248 38.762 38.487 0.045 0.000 1.088 45 N HN 0.367 nan 8.380 nan 0.000 0.450 46 I N 1.312 122.046 120.570 0.273 0.000 2.608 46 I HA 0.447 5.125 4.170 0.847 0.000 0.295 46 I C -1.083 175.403 176.117 0.616 0.000 1.049 46 I CA -0.678 60.876 61.300 0.424 0.000 1.063 46 I CB 1.677 39.940 38.000 0.438 0.000 1.248 46 I HN 0.256 nan 8.210 nan 0.000 0.424 47 F N 7.682 127.917 119.950 0.474 0.000 2.749 47 F HA 0.522 5.557 4.527 0.847 0.000 0.339 47 F C -1.460 174.716 175.800 0.627 0.000 1.211 47 F CA -0.923 57.337 58.000 0.434 0.000 1.099 47 F CB 1.283 40.444 39.000 0.268 0.000 1.359 47 F HN 0.308 nan 8.300 nan 0.000 0.549 48 F N 1.663 121.621 119.950 0.014 0.000 2.685 48 F HA 0.692 5.727 4.527 0.848 0.000 0.315 48 F C -1.035 174.795 175.800 0.050 0.000 1.126 48 F CA -1.303 56.820 58.000 0.206 0.000 0.950 48 F CB 1.587 40.746 39.000 0.265 0.000 1.360 48 F HN 0.194 nan 8.300 nan 0.000 0.469 49 S N 2.724 118.588 115.700 0.273 0.000 2.567 49 S HA 0.389 5.367 4.470 0.847 0.000 0.262 49 S C -1.756 172.794 174.600 -0.084 0.000 1.237 49 S CA -1.721 56.358 58.200 -0.201 0.000 1.093 49 S CB 0.241 63.288 63.200 -0.255 0.000 1.095 49 S HN 0.518 nan 8.310 nan 0.000 0.489 50 P HA -0.122 nan 4.420 nan 0.000 0.216 50 P C 1.532 178.897 177.300 0.108 0.000 1.150 50 P CA 0.958 64.168 63.100 0.182 0.000 0.843 50 P CB -0.003 31.738 31.700 0.068 0.000 0.787 51 V N 0.091 119.985 119.914 -0.033 0.000 2.427 51 V HA -0.184 4.444 4.120 0.847 0.000 0.248 51 V C 2.902 178.994 176.094 -0.003 0.000 1.051 51 V CA 2.295 64.591 62.300 -0.007 0.000 1.048 51 V CB -1.528 30.244 31.823 -0.085 0.000 0.666 51 V HN 0.237 nan 8.190 nan 0.000 0.456 52 S N -0.342 115.302 115.700 -0.093 0.000 2.368 52 S HA -0.138 4.840 4.470 0.847 0.000 0.225 52 S C 1.907 176.452 174.600 -0.092 0.000 1.030 52 S CA 1.628 59.760 58.200 -0.114 0.000 0.999 52 S CB -0.303 62.801 63.200 -0.160 0.000 0.844 52 S HN 0.518 nan 8.310 nan 0.000 0.459 53 I N 0.737 121.257 120.570 -0.083 0.000 2.163 53 I HA -0.131 4.547 4.170 0.847 0.000 0.240 53 I C 2.669 178.808 176.117 0.037 0.000 1.081 53 I CA 1.181 62.479 61.300 -0.004 0.000 1.353 53 I CB -0.578 37.482 38.000 0.100 0.000 1.054 53 I HN 0.257 nan 8.210 nan 0.000 0.407 54 S N 0.562 116.316 115.700 0.090 0.000 2.383 54 S HA -0.198 4.780 4.470 0.847 0.000 0.229 54 S C 2.152 176.729 174.600 -0.038 0.000 1.030 54 S CA 1.530 59.733 58.200 0.006 0.000 1.002 54 S CB -0.309 62.998 63.200 0.178 0.000 0.829 54 S HN 0.554 nan 8.310 nan 0.000 0.467 55 A N 1.035 123.910 122.820 0.092 0.000 1.930 55 A HA 0.305 5.133 4.320 0.847 0.000 0.215 55 A C 2.306 179.819 177.584 -0.118 0.000 1.176 55 A CA 1.381 53.450 52.037 0.054 0.000 0.632 55 A CB -0.889 18.231 19.000 0.201 0.000 0.819 55 A HN 0.495 nan 8.150 nan 0.000 0.445 56 A N -0.044 122.725 122.820 -0.085 0.000 1.902 56 A HA -0.029 4.799 4.320 0.847 0.000 0.217 56 A C 2.147 179.654 177.584 -0.128 0.000 1.181 56 A CA 1.468 53.452 52.037 -0.087 0.000 0.623 56 A CB -0.568 18.415 19.000 -0.028 0.000 0.818 56 A HN 0.461 nan 8.150 nan 0.000 0.443 57 L N -0.717 120.419 121.223 -0.145 0.000 2.056 57 L HA -0.137 4.711 4.340 0.847 0.000 0.207 57 L C 2.533 179.257 176.870 -0.243 0.000 1.078 57 L CA 0.942 55.691 54.840 -0.152 0.000 0.749 57 L CB -0.605 41.370 42.059 -0.140 0.000 0.901 57 L HN 0.230 nan 8.230 nan 0.000 0.433 58 V N -0.256 119.407 119.914 -0.418 0.000 2.287 58 V HA -0.367 4.262 4.120 0.847 0.000 0.248 58 V C 2.528 178.334 176.094 -0.481 0.000 1.053 58 V CA 1.929 63.908 62.300 -0.535 0.000 1.027 58 V CB -0.520 30.704 31.823 -1.000 0.000 0.646 58 V HN 0.468 nan 8.190 nan 0.000 0.447 59 M N -0.251 118.994 119.600 -0.591 0.000 2.073 59 M HA -0.205 4.783 4.480 0.847 0.000 0.258 59 M C 2.239 178.395 176.300 -0.241 0.000 1.070 59 M CA 2.240 57.099 55.300 -0.736 0.000 1.103 59 M CB -0.919 31.352 32.600 -0.548 0.000 1.321 59 M HN 0.373 nan 8.290 nan 0.000 0.405 60 L N 0.689 121.851 121.223 -0.102 0.000 2.013 60 L HA -0.207 4.641 4.340 0.847 0.000 0.212 60 L C 2.736 179.694 176.870 0.146 0.000 1.073 60 L CA 2.698 57.582 54.840 0.072 0.000 0.753 60 L CB -1.145 40.945 42.059 0.052 0.000 0.890 60 L HN 0.587 nan 8.230 nan 0.000 0.432 61 S N -1.145 114.556 115.700 0.003 0.000 2.387 61 S HA -0.317 4.661 4.470 0.847 0.000 0.230 61 S C 2.146 176.754 174.600 0.014 0.000 1.035 61 S CA 1.536 59.715 58.200 -0.035 0.000 1.014 61 S CB -1.006 62.119 63.200 -0.126 0.000 0.836 61 S HN 0.511 nan 8.310 nan 0.000 0.466 62 F N 2.440 122.328 119.950 -0.103 0.000 2.120 62 F HA 0.019 5.054 4.527 0.847 0.000 0.300 62 F C 2.203 178.075 175.800 0.120 0.000 1.095 62 F CA 1.650 59.635 58.000 -0.024 0.000 1.249 62 F CB -0.880 38.066 39.000 -0.090 0.000 0.995 62 F HN 0.352 nan 8.300 nan 0.000 0.480 63 G N -0.696 108.297 108.800 0.321 0.000 2.920 63 G HA2 0.326 4.794 3.960 0.847 0.000 0.208 63 G HA3 0.326 4.794 3.960 0.847 0.000 0.208 63 G C 0.380 175.307 174.900 0.046 0.000 1.159 63 G CA 0.330 45.530 45.100 0.167 0.000 0.784 63 G HN 0.589 nan 8.290 nan 0.000 0.535 64 A N -1.007 121.775 122.820 -0.064 0.000 2.269 64 A HA 0.697 5.525 4.320 0.847 0.000 0.319 64 A C -0.495 176.924 177.584 -0.275 0.000 1.110 64 A CA -0.426 51.417 52.037 -0.324 0.000 0.847 64 A CB 1.150 19.827 19.000 -0.538 0.000 1.161 64 A HN 0.244 nan 8.150 nan 0.000 0.497 65 C N -0.668 118.449 119.300 -0.305 0.000 2.707 65 C HA 0.661 5.629 4.460 0.847 0.000 0.313 65 C C 0.908 175.761 174.990 -0.229 0.000 1.209 65 C CA -0.257 58.624 59.018 -0.229 0.000 1.635 65 C CB -0.014 27.613 27.740 -0.187 0.000 2.206 65 C HN 1.284 nan 8.230 nan 0.000 0.485 66 C N 1.039 120.230 119.300 -0.181 0.000 0.168 66 C HA -0.249 4.719 4.460 0.847 0.000 0.017 66 C C 2.627 177.511 174.990 -0.177 0.000 0.171 66 C CA 1.375 60.293 59.018 -0.167 0.000 0.499 66 C CB -2.052 25.585 27.740 -0.171 0.000 3.212 66 C HN 1.240 nan 8.230 nan 0.000 1.118 67 S N 0.702 116.281 115.700 -0.200 0.000 2.419 67 S HA -0.181 4.797 4.470 0.847 0.000 0.235 67 S C 1.162 175.678 174.600 -0.140 0.000 1.019 67 S CA 2.582 60.679 58.200 -0.172 0.000 0.982 67 S CB -0.836 62.218 63.200 -0.243 0.000 0.789 67 S HN 0.869 nan 8.310 nan 0.000 0.490 68 T N 1.911 116.325 114.554 -0.234 0.000 2.708 68 T HA -0.147 4.711 4.350 0.847 0.000 0.266 68 T C 1.932 176.499 174.700 -0.222 0.000 1.037 68 T CA 1.670 63.635 62.100 -0.225 0.000 1.146 68 T CB -0.420 68.192 68.868 -0.427 0.000 0.865 68 T HN 0.616 nan 8.240 nan 0.000 0.435 69 Q N 0.266 119.923 119.800 -0.239 0.000 2.049 69 Q HA -0.122 4.726 4.340 0.847 0.000 0.198 69 Q C 2.393 178.320 176.000 -0.121 0.000 0.971 69 Q CA 1.519 57.209 55.803 -0.189 0.000 0.833 69 Q CB -0.267 28.355 28.738 -0.193 0.000 0.896 69 Q HN 0.434 nan 8.270 nan 0.000 0.434 70 T N 1.242 115.735 114.554 -0.102 0.000 2.653 70 T HA -0.228 4.631 4.350 0.847 0.000 0.268 70 T C 1.470 176.154 174.700 -0.027 0.000 1.035 70 T CA 1.869 63.934 62.100 -0.059 0.000 1.154 70 T CB -0.272 68.566 68.868 -0.050 0.000 0.862 70 T HN 0.420 nan 8.240 nan 0.000 0.441 71 E N 0.293 120.484 120.200 -0.014 0.000 2.058 71 E HA -0.087 4.771 4.350 0.847 0.000 0.194 71 E C 2.229 178.835 176.600 0.010 0.000 0.997 71 E CA 1.038 57.449 56.400 0.018 0.000 0.801 71 E CB -0.297 29.432 29.700 0.049 0.000 0.746 71 E HN 0.498 nan 8.360 nan 0.000 0.450 72 I N 0.506 121.063 120.570 -0.022 0.000 2.127 72 I HA -0.281 4.397 4.170 0.847 0.000 0.241 72 I C 2.343 178.438 176.117 -0.037 0.000 1.075 72 I CA 0.931 62.209 61.300 -0.035 0.000 1.334 72 I CB -0.329 37.627 38.000 -0.073 0.000 1.040 72 I HN 0.010 nan 8.210 nan 0.000 0.405 73 V N 0.635 120.525 119.914 -0.040 0.000 2.490 73 V HA -0.247 4.381 4.120 0.847 0.000 0.250 73 V C 2.265 178.443 176.094 0.139 0.000 1.061 73 V CA 1.824 64.129 62.300 0.007 0.000 1.064 73 V CB -0.677 31.111 31.823 -0.059 0.000 0.670 73 V HN 0.449 nan 8.190 nan 0.000 0.461 74 E N -0.431 119.818 120.200 0.081 0.000 2.216 74 E HA -0.110 4.748 4.350 0.847 0.000 0.192 74 E C 2.252 178.901 176.600 0.082 0.000 0.988 74 E CA 1.343 57.796 56.400 0.090 0.000 0.834 74 E CB -0.131 29.604 29.700 0.059 0.000 0.772 74 E HN 0.551 nan 8.360 nan 0.000 0.479 75 T N 1.384 115.981 114.554 0.073 0.000 2.904 75 T HA -0.074 4.784 4.350 0.847 0.000 0.267 75 T C 1.545 176.313 174.700 0.115 0.000 1.059 75 T CA 0.490 62.656 62.100 0.110 0.000 1.137 75 T CB -0.003 68.934 68.868 0.114 0.000 0.879 75 T HN -0.004 nan 8.240 nan 0.000 0.467 76 L N 0.557 121.755 121.223 -0.042 0.000 2.456 76 L HA 0.206 5.054 4.340 0.847 0.000 0.224 76 L C 2.024 178.792 176.870 -0.171 0.000 1.148 76 L CA 1.313 55.969 54.840 -0.306 0.000 0.825 76 L CB -1.183 40.822 42.059 -0.090 0.000 0.937 76 L HN 0.556 nan 8.230 nan 0.000 0.450 77 G N -2.759 106.014 108.800 -0.045 0.000 2.168 77 G HA2 -0.233 4.235 3.960 0.847 0.000 0.197 77 G HA3 -0.233 4.235 3.960 0.847 0.000 0.197 77 G C 0.178 174.896 174.900 -0.302 0.000 0.997 77 G CA -0.407 44.592 45.100 -0.168 0.000 0.658 77 G HN 0.164 nan 8.290 nan 0.000 0.513 78 F N 0.882 120.845 119.950 0.021 0.000 2.399 78 F HA 0.630 5.665 4.527 0.847 0.000 0.328 78 F C 0.529 176.338 175.800 0.016 0.000 1.084 78 F CA -1.160 56.855 58.000 0.024 0.000 1.053 78 F CB 1.288 40.303 39.000 0.025 0.000 1.209 78 F HN 0.012 nan 8.300 nan 0.000 0.502 79 N N 2.761 121.581 118.700 0.200 0.000 2.417 79 N HA 0.248 5.496 4.740 0.847 0.000 0.274 79 N C 0.283 175.854 175.510 0.102 0.000 0.987 79 N CA -0.242 52.875 53.050 0.113 0.000 0.912 79 N CB 1.379 39.909 38.487 0.071 0.000 1.177 79 N HN 0.707 nan 8.380 nan 0.000 0.490 80 L N 2.145 123.408 121.223 0.067 0.000 2.291 80 L HA -0.062 4.786 4.340 0.847 0.000 0.214 80 L C 1.857 178.743 176.870 0.027 0.000 1.120 80 L CA 0.877 55.740 54.840 0.039 0.000 0.799 80 L CB -0.192 41.876 42.059 0.016 0.000 0.925 80 L HN 0.551 nan 8.230 nan 0.000 0.446 81 T N -1.005 113.566 114.554 0.029 0.000 2.737 81 T HA -0.147 4.711 4.350 0.847 0.000 0.265 81 T C 1.389 176.104 174.700 0.026 0.000 1.038 81 T CA 1.281 63.394 62.100 0.021 0.000 1.144 81 T CB -0.144 68.735 68.868 0.019 0.000 0.866 81 T HN 0.280 nan 8.240 nan 0.000 0.434 82 D N 1.576 121.999 120.400 0.039 0.000 2.087 82 D HA -0.041 5.107 4.640 0.847 0.000 0.192 82 D C 1.232 177.559 176.300 0.044 0.000 0.993 82 D CA 1.355 55.381 54.000 0.044 0.000 0.828 82 D CB -0.294 40.541 40.800 0.059 0.000 0.968 82 D HN 0.516 nan 8.370 nan 0.000 0.448 83 T N -1.414 113.174 114.554 0.057 0.000 2.928 83 T HA 0.566 5.424 4.350 0.847 0.000 0.296 83 T C -2.976 171.736 174.700 0.020 0.000 1.000 83 T CA -1.934 60.191 62.100 0.042 0.000 0.989 83 T CB 2.741 71.648 68.868 0.065 0.000 1.005 83 T HN -0.275 nan 8.240 nan 0.000 0.442 84 P HA 0.293 nan 4.420 nan 0.000 0.274 84 P C 1.046 178.320 177.300 -0.044 0.000 1.256 84 P CA -0.840 62.249 63.100 -0.019 0.000 0.795 84 P CB 0.532 32.221 31.700 -0.017 0.000 1.038 85 M N 1.406 120.971 119.600 -0.059 0.000 2.108 85 M HA -0.135 4.853 4.480 0.847 0.000 0.261 85 M C 1.780 178.024 176.300 -0.093 0.000 1.066 85 M CA 1.752 57.001 55.300 -0.085 0.000 1.107 85 M CB -1.162 31.386 32.600 -0.087 0.000 1.356 85 M HN 0.112 nan 8.290 nan 0.000 0.406 86 V N -0.295 119.564 119.914 -0.091 0.000 2.407 86 V HA -0.274 4.354 4.120 0.847 0.000 0.248 86 V C 2.108 178.096 176.094 -0.178 0.000 1.055 86 V CA 2.478 64.686 62.300 -0.154 0.000 1.049 86 V CB -0.465 31.294 31.823 -0.108 0.000 0.662 86 V HN 0.692 nan 8.190 nan 0.000 0.455 87 E N -0.401 119.764 120.200 -0.058 0.000 2.072 87 E HA -0.193 4.665 4.350 0.847 0.000 0.191 87 E C 2.088 178.673 176.600 -0.026 0.000 0.985 87 E CA 1.736 58.134 56.400 -0.003 0.000 0.801 87 E CB -0.225 29.474 29.700 -0.002 0.000 0.750 87 E HN 0.717 nan 8.360 nan 0.000 0.452 88 I N 0.943 121.467 120.570 -0.078 0.000 2.226 88 I HA -0.318 4.360 4.170 0.847 0.000 0.245 88 I C 2.498 178.639 176.117 0.040 0.000 1.100 88 I CA 1.287 62.519 61.300 -0.114 0.000 1.374 88 I CB -0.190 37.623 38.000 -0.312 0.000 1.057 88 I HN 0.177 nan 8.210 nan 0.000 0.413 89 Q N -0.337 119.462 119.800 -0.002 0.000 2.020 89 Q HA -0.217 4.631 4.340 0.847 0.000 0.202 89 Q C 2.290 178.336 176.000 0.076 0.000 0.982 89 Q CA 1.422 57.273 55.803 0.081 0.000 0.838 89 Q CB -0.281 28.484 28.738 0.044 0.000 0.899 89 Q HN 0.532 nan 8.270 nan 0.000 0.423 90 H N -0.492 118.601 119.070 0.039 0.000 2.457 90 H HA -0.059 5.005 4.556 0.847 0.000 0.297 90 H C 2.082 177.398 175.328 -0.020 0.000 1.092 90 H CA 1.395 57.435 56.048 -0.014 0.000 1.309 90 H CB -0.546 29.195 29.762 -0.035 0.000 1.382 90 H HN 0.420 nan 8.280 nan 0.000 0.535 91 G N -0.597 108.260 108.800 0.094 0.000 2.394 91 G HA2 -0.175 4.294 3.960 0.847 0.000 0.214 91 G HA3 -0.175 4.294 3.960 0.847 0.000 0.214 91 G C 1.458 176.346 174.900 -0.020 0.000 1.176 91 G CA 0.119 45.203 45.100 -0.026 0.000 0.786 91 G HN 0.265 nan 8.290 nan 0.000 0.533 92 F N 1.007 120.960 119.950 0.005 0.000 2.259 92 F HA -0.003 5.032 4.527 0.847 0.000 0.298 92 F C 2.854 178.643 175.800 -0.018 0.000 1.088 92 F CA 1.373 59.395 58.000 0.038 0.000 1.358 92 F CB -0.099 38.957 39.000 0.094 0.000 1.040 92 F HN 0.167 nan 8.300 nan 0.000 0.505 93 Q N 0.047 119.890 119.800 0.070 0.000 2.029 93 Q HA -0.335 4.513 4.340 0.847 0.000 0.209 93 Q C 2.277 178.264 176.000 -0.022 0.000 0.999 93 Q CA 2.238 57.978 55.803 -0.105 0.000 0.857 93 Q CB -0.765 27.945 28.738 -0.046 0.000 0.926 93 Q HN 0.529 nan 8.270 nan 0.000 0.415 94 H N -0.196 118.840 119.070 -0.058 0.000 2.428 94 H HA -0.085 4.979 4.556 0.847 0.000 0.296 94 H C 2.247 177.554 175.328 -0.036 0.000 1.062 94 H CA 1.157 57.173 56.048 -0.055 0.000 1.350 94 H CB 0.237 29.963 29.762 -0.060 0.000 1.403 94 H HN 0.346 nan 8.280 nan 0.000 0.533 95 L N 0.821 122.017 121.223 -0.045 0.000 2.027 95 L HA -0.095 4.754 4.340 0.847 0.000 0.206 95 L C 2.344 179.164 176.870 -0.084 0.000 1.074 95 L CA 1.265 56.054 54.840 -0.086 0.000 0.745 95 L CB -0.571 41.398 42.059 -0.151 0.000 0.898 95 L HN 0.198 nan 8.230 nan 0.000 0.433 96 I N -1.073 119.480 120.570 -0.029 0.000 2.226 96 I HA -0.372 4.306 4.170 0.847 0.000 0.245 96 I C 2.772 178.865 176.117 -0.040 0.000 1.100 96 I CA 1.466 62.762 61.300 -0.007 0.000 1.374 96 I CB -0.456 37.564 38.000 0.034 0.000 1.057 96 I HN 0.555 nan 8.210 nan 0.000 0.413 97 C N -0.357 118.894 119.300 -0.083 0.000 2.446 97 C HA -0.152 4.816 4.460 0.847 0.000 0.277 97 C C 3.296 178.252 174.990 -0.058 0.000 1.275 97 C CA 1.616 60.593 59.018 -0.069 0.000 1.727 97 C CB -0.749 26.930 27.740 -0.102 0.000 2.010 97 C HN 0.554 nan 8.230 nan 0.000 0.486 98 S N -0.357 115.231 115.700 -0.187 0.000 2.383 98 S HA -0.029 4.949 4.470 0.847 0.000 0.227 98 S C 1.806 176.389 174.600 -0.028 0.000 1.026 98 S CA 1.481 59.574 58.200 -0.179 0.000 0.981 98 S CB -0.345 62.658 63.200 -0.328 0.000 0.818 98 S HN 0.693 nan 8.310 nan 0.000 0.472 99 L N 1.479 122.684 121.223 -0.030 0.000 2.005 99 L HA -0.071 4.777 4.340 0.847 0.000 0.207 99 L C 2.020 178.925 176.870 0.057 0.000 1.072 99 L CA 1.257 56.100 54.840 0.006 0.000 0.744 99 L CB -0.613 41.433 42.059 -0.021 0.000 0.895 99 L HN 0.266 nan 8.230 nan 0.000 0.433 100 N N -0.368 118.367 118.700 0.058 0.000 2.550 100 N HA -0.104 5.144 4.740 0.847 0.000 0.186 100 N C 0.194 175.758 175.510 0.090 0.000 1.110 100 N CA 0.316 53.408 53.050 0.069 0.000 0.912 100 N CB -0.347 38.169 38.487 0.048 0.000 0.968 100 N HN 0.087 nan 8.380 nan 0.000 0.448 101 F N 2.853 122.791 119.950 -0.021 0.000 2.533 101 F HA 0.144 5.179 4.527 0.846 0.000 0.378 101 F C -1.820 173.980 175.800 0.001 0.000 1.070 101 F CA -2.283 55.707 58.000 -0.017 0.000 1.172 101 F CB 0.552 39.532 39.000 -0.033 0.000 1.085 101 F HN -0.076 nan 8.300 nan 0.000 0.552 102 P HA 0.031 nan 4.420 nan 0.000 0.263 102 P C -1.207 176.015 177.300 -0.130 0.000 1.247 102 P CA 0.258 63.224 63.100 -0.224 0.000 0.876 102 P CB 0.178 31.705 31.700 -0.289 0.000 0.928 103 K N 2.296 122.714 120.400 0.031 0.000 2.098 103 K HA 0.244 5.072 4.320 0.847 0.000 0.258 103 K C 1.384 178.008 176.600 0.040 0.000 0.973 103 K CA -0.755 55.584 56.287 0.086 0.000 0.898 103 K CB 1.202 33.777 32.500 0.125 0.000 1.057 103 K HN 0.146 nan 8.250 nan 0.000 0.447 104 K N 1.422 121.849 120.400 0.045 0.000 2.032 104 K HA -0.250 4.579 4.320 0.847 0.000 0.218 104 K C 0.310 176.919 176.600 0.015 0.000 1.054 104 K CA 1.907 58.210 56.287 0.026 0.000 0.941 104 K CB 0.043 32.562 32.500 0.033 0.000 0.720 104 K HN 0.535 nan 8.250 nan 0.000 0.449 105 E N 0.075 120.288 120.200 0.021 0.000 2.609 105 E HA 0.151 5.009 4.350 0.847 0.000 0.208 105 E C -1.100 175.495 176.600 -0.010 0.000 1.013 105 E CA -0.252 56.154 56.400 0.009 0.000 1.093 105 E CB 0.564 30.277 29.700 0.022 0.000 1.129 105 E HN 0.022 nan 8.360 nan 0.000 0.450 106 L N 0.250 121.466 121.223 -0.012 0.000 2.493 106 L HA 0.372 5.220 4.340 0.847 0.000 0.265 106 L C -1.476 175.380 176.870 -0.024 0.000 0.954 106 L CA -0.420 54.397 54.840 -0.039 0.000 0.844 106 L CB 1.875 43.940 42.059 0.011 0.000 1.302 106 L HN -0.155 nan 8.230 nan 0.000 0.405 107 E N 4.737 124.897 120.200 -0.067 0.000 2.134 107 E HA 0.592 5.450 4.350 0.847 0.000 0.278 107 E C -1.542 175.063 176.600 0.009 0.000 0.959 107 E CA -0.670 55.732 56.400 0.003 0.000 0.783 107 E CB 2.198 31.935 29.700 0.061 0.000 1.095 107 E HN 0.439 nan 8.360 nan 0.000 0.399 108 L N 3.257 124.547 121.223 0.112 0.000 2.528 108 L HA 0.260 5.108 4.340 0.847 0.000 0.267 108 L C -1.690 175.276 176.870 0.160 0.000 0.961 108 L CA -0.154 54.776 54.840 0.149 0.000 0.866 108 L CB 1.905 44.047 42.059 0.138 0.000 1.248 108 L HN 0.567 nan 8.230 nan 0.000 0.404 109 Q N 5.054 124.978 119.800 0.206 0.000 2.263 109 Q HA 0.581 5.429 4.340 0.847 0.000 0.266 109 Q C -1.825 174.259 176.000 0.140 0.000 1.002 109 Q CA -0.483 55.431 55.803 0.184 0.000 0.790 109 Q CB 1.879 30.765 28.738 0.247 0.000 1.272 109 Q HN 0.774 nan 8.270 nan 0.000 0.435 110 I N 3.603 124.192 120.570 0.032 0.000 2.330 110 I HA 0.637 5.315 4.170 0.847 0.000 0.289 110 I C 0.242 176.258 176.117 -0.168 0.000 1.001 110 I CA -0.241 61.013 61.300 -0.077 0.000 1.193 110 I CB 1.550 39.505 38.000 -0.076 0.000 1.345 110 I HN 0.747 nan 8.210 nan 0.000 0.461 111 G N 4.472 112.961 108.800 -0.518 0.000 2.798 111 G HA2 0.761 5.229 3.960 0.847 0.000 0.286 111 G HA3 0.761 5.229 3.960 0.847 0.000 0.286 111 G C -1.775 172.606 174.900 -0.866 0.000 1.389 111 G CA -0.687 44.035 45.100 -0.631 0.000 0.894 111 G HN 0.672 nan 8.290 nan 0.000 0.488 112 N N -2.120 116.415 118.700 -0.274 0.000 3.171 112 N HA 0.645 5.893 4.740 0.847 0.000 0.239 112 N C -0.827 174.827 175.510 0.240 0.000 1.275 112 N CA -0.308 52.774 53.050 0.054 0.000 0.920 112 N CB 1.359 39.845 38.487 -0.001 0.000 1.554 112 N HN 1.040 nan 8.380 nan 0.000 0.504 113 A N 0.200 123.204 122.820 0.307 0.000 2.532 113 A HA 0.901 5.730 4.320 0.847 0.000 0.290 113 A C -1.647 175.989 177.584 0.086 0.000 1.143 113 A CA -0.741 51.397 52.037 0.167 0.000 0.728 113 A CB 1.297 20.415 19.000 0.197 0.000 1.317 113 A HN 0.579 nan 8.150 nan 0.000 0.414 114 L N 0.075 121.229 121.223 -0.113 0.000 2.386 114 L HA 0.608 5.456 4.340 0.847 0.000 0.271 114 L C -1.715 175.021 176.870 -0.224 0.000 0.993 114 L CA -0.222 54.596 54.840 -0.036 0.000 0.819 114 L CB 2.043 44.110 42.059 0.014 0.000 1.294 114 L HN 0.668 nan 8.230 nan 0.000 0.414 115 F N 3.910 123.993 119.950 0.221 0.000 2.434 115 F HA 0.533 5.568 4.527 0.847 0.000 0.355 115 F C -0.094 175.904 175.800 0.330 0.000 1.115 115 F CA -0.374 57.789 58.000 0.271 0.000 1.010 115 F CB 1.142 40.337 39.000 0.325 0.000 1.234 115 F HN 0.124 nan 8.300 nan 0.000 0.439 116 I N 2.274 123.024 120.570 0.299 0.000 2.406 116 I HA 0.446 5.124 4.170 0.847 0.000 0.290 116 I C 0.794 177.021 176.117 0.184 0.000 0.999 116 I CA -1.121 60.316 61.300 0.228 0.000 1.124 116 I CB 1.662 39.678 38.000 0.026 0.000 1.289 116 I HN 0.674 nan 8.210 nan 0.000 0.441 117 G N 4.503 113.487 108.800 0.307 0.000 2.163 117 G HA2 -0.124 4.344 3.960 0.847 0.000 0.239 117 G HA3 -0.124 4.344 3.960 0.847 0.000 0.239 117 G C 1.021 175.943 174.900 0.036 0.000 1.148 117 G CA -0.184 45.063 45.100 0.245 0.000 0.880 117 G HN 0.958 nan 8.290 nan 0.000 0.466 118 K N 1.744 122.196 120.400 0.087 0.000 2.160 118 K HA -0.263 4.565 4.320 0.847 0.000 0.206 118 K C 1.869 178.498 176.600 0.047 0.000 1.047 118 K CA 1.885 58.200 56.287 0.047 0.000 0.930 118 K CB -0.296 32.234 32.500 0.051 0.000 0.720 118 K HN 0.794 nan 8.250 nan 0.000 0.450 119 H N 0.919 120.006 119.070 0.028 0.000 2.524 119 H HA 0.083 5.147 4.556 0.847 0.000 0.282 119 H C 0.247 175.586 175.328 0.019 0.000 1.016 119 H CA 0.263 56.325 56.048 0.024 0.000 1.270 119 H CB -0.378 29.402 29.762 0.030 0.000 1.394 119 H HN 0.154 nan 8.280 nan 0.000 0.568 120 L N 1.795 122.717 121.223 -0.501 0.000 2.264 120 L HA 0.301 5.149 4.340 0.847 0.000 0.289 120 L C 0.211 176.984 176.870 -0.162 0.000 1.044 120 L CA -0.566 54.074 54.840 -0.332 0.000 0.807 120 L CB 1.715 43.535 42.059 -0.398 0.000 1.192 120 L HN -0.061 nan 8.230 nan 0.000 0.425 121 K N 5.775 126.115 120.400 -0.101 0.000 2.264 121 K HA 0.350 5.178 4.320 0.847 0.000 0.277 121 K C -2.302 174.259 176.600 -0.066 0.000 1.067 121 K CA -1.628 54.621 56.287 -0.062 0.000 0.900 121 K CB 1.000 33.479 32.500 -0.034 0.000 1.124 121 K HN 0.211 nan 8.250 nan 0.000 0.469 122 P HA 0.031 nan 4.420 nan 0.000 0.275 122 P C -0.552 176.753 177.300 0.009 0.000 1.228 122 P CA -0.256 62.812 63.100 -0.053 0.000 0.786 122 P CB 0.761 32.457 31.700 -0.008 0.000 0.927 123 L N 1.660 122.902 121.223 0.031 0.000 2.439 123 L HA 0.153 5.002 4.340 0.847 0.000 0.269 123 L C 1.990 178.933 176.870 0.121 0.000 1.179 123 L CA -0.209 54.673 54.840 0.070 0.000 0.828 123 L CB 0.262 42.367 42.059 0.076 0.000 1.106 123 L HN 0.435 nan 8.230 nan 0.000 0.467 124 A N 2.954 125.820 122.820 0.076 0.000 1.933 124 A HA -0.167 4.661 4.320 0.847 0.000 0.218 124 A C 2.234 179.867 177.584 0.081 0.000 1.175 124 A CA 1.586 53.660 52.037 0.062 0.000 0.628 124 A CB -0.363 18.657 19.000 0.034 0.000 0.814 124 A HN 0.883 nan 8.150 nan 0.000 0.444 125 K N -1.369 119.093 120.400 0.104 0.000 2.009 125 K HA -0.189 4.639 4.320 0.847 0.000 0.210 125 K C 1.849 178.555 176.600 0.176 0.000 1.049 125 K CA 1.839 58.199 56.287 0.121 0.000 0.929 125 K CB -0.376 32.198 32.500 0.124 0.000 0.714 125 K HN 0.431 nan 8.250 nan 0.000 0.440 126 F N 1.869 121.876 119.950 0.096 0.000 2.069 126 F HA -0.244 4.792 4.527 0.847 0.000 0.298 126 F C 1.889 177.735 175.800 0.076 0.000 1.113 126 F CA 1.370 59.456 58.000 0.143 0.000 1.214 126 F CB -0.320 38.742 39.000 0.103 0.000 0.978 126 F HN 0.010 nan 8.300 nan 0.000 0.474 127 L N 0.285 121.575 121.223 0.111 0.000 1.997 127 L HA -0.342 4.506 4.340 0.847 0.000 0.216 127 L C 2.297 179.081 176.870 -0.142 0.000 1.074 127 L CA 2.345 57.160 54.840 -0.041 0.000 0.763 127 L CB -0.968 41.103 42.059 0.019 0.000 0.890 127 L HN 0.298 nan 8.230 nan 0.000 0.434 128 N N -0.292 118.361 118.700 -0.077 0.000 2.142 128 N HA -0.190 5.058 4.740 0.847 0.000 0.186 128 N C 1.462 176.896 175.510 -0.128 0.000 1.023 128 N CA 1.319 54.318 53.050 -0.084 0.000 0.852 128 N CB 0.002 38.465 38.487 -0.039 0.000 0.998 128 N HN 0.179 nan 8.380 nan 0.000 0.424 129 D N -0.527 119.792 120.400 -0.134 0.000 2.104 129 D HA -0.142 5.006 4.640 0.847 0.000 0.194 129 D C 2.028 178.144 176.300 -0.307 0.000 0.994 129 D CA 1.602 55.483 54.000 -0.199 0.000 0.830 129 D CB -0.375 40.365 40.800 -0.100 0.000 0.959 129 D HN 0.332 nan 8.370 nan 0.000 0.452 130 V N -0.772 118.911 119.914 -0.385 0.000 2.591 130 V HA -0.067 4.561 4.120 0.847 0.000 0.249 130 V C 2.202 178.197 176.094 -0.166 0.000 1.053 130 V CA 1.461 63.589 62.300 -0.286 0.000 1.068 130 V CB -0.548 30.944 31.823 -0.553 0.000 0.689 130 V HN -0.007 nan 8.190 nan 0.000 0.462 131 K N 0.398 120.687 120.400 -0.185 0.000 2.062 131 K HA -0.112 4.716 4.320 0.847 0.000 0.205 131 K C 2.218 178.753 176.600 -0.110 0.000 1.051 131 K CA 1.896 58.108 56.287 -0.125 0.000 0.941 131 K CB -0.303 32.124 32.500 -0.123 0.000 0.719 131 K HN 0.547 nan 8.250 nan 0.000 0.440 132 T N 0.985 115.457 114.554 -0.135 0.000 2.770 132 T HA -0.008 4.850 4.350 0.847 0.000 0.263 132 T C 1.567 176.157 174.700 -0.184 0.000 1.039 132 T CA 1.122 63.143 62.100 -0.132 0.000 1.142 132 T CB 0.053 68.850 68.868 -0.120 0.000 0.868 132 T HN 0.145 nan 8.240 nan 0.000 0.435 133 L N -1.440 119.606 121.223 -0.295 0.000 2.556 133 L HA 0.257 5.105 4.340 0.847 0.000 0.226 133 L C 0.956 177.413 176.870 -0.688 0.000 1.089 133 L CA 0.632 55.163 54.840 -0.516 0.000 0.864 133 L CB 0.208 41.828 42.059 -0.732 0.000 1.067 133 L HN 0.284 nan 8.230 nan 0.000 0.477 134 Y N -1.388 118.800 120.300 -0.187 0.000 2.626 134 Y HA 0.176 5.234 4.550 0.847 0.000 0.248 134 Y C 0.456 176.291 175.900 -0.109 0.000 1.147 134 Y CA -0.531 57.479 58.100 -0.150 0.000 1.219 134 Y CB 0.646 38.981 38.460 -0.208 0.000 1.279 134 Y HN 0.017 nan 8.280 nan 0.000 0.541 135 E N 1.126 121.328 120.200 0.003 0.000 2.389 135 E HA -0.179 4.679 4.350 0.847 0.000 0.243 135 E C -1.060 175.558 176.600 0.029 0.000 1.154 135 E CA 0.921 57.327 56.400 0.011 0.000 0.723 135 E CB -1.306 28.405 29.700 0.019 0.000 1.261 135 E HN 0.225 nan 8.360 nan 0.000 0.390 136 T N 1.146 115.697 114.554 -0.005 0.000 2.786 136 T HA 0.395 5.253 4.350 0.847 0.000 0.283 136 T C -0.257 174.390 174.700 -0.088 0.000 0.992 136 T CA -0.655 61.432 62.100 -0.022 0.000 0.954 136 T CB 1.251 70.083 68.868 -0.061 0.000 0.934 136 T HN 0.159 nan 8.240 nan 0.000 0.440 137 E N 1.827 121.979 120.200 -0.079 0.000 2.249 137 E HA 0.497 5.355 4.350 0.847 0.000 0.280 137 E C -0.787 175.521 176.600 -0.487 0.000 1.016 137 E CA -0.580 55.632 56.400 -0.313 0.000 0.830 137 E CB 1.254 30.765 29.700 -0.315 0.000 1.081 137 E HN 0.279 nan 8.360 nan 0.000 0.395 138 V N 4.699 124.256 119.914 -0.594 0.000 2.417 138 V HA 0.391 5.019 4.120 0.847 0.000 0.291 138 V C -0.817 174.860 176.094 -0.695 0.000 1.024 138 V CA -0.590 61.432 62.300 -0.463 0.000 0.861 138 V CB 0.567 32.302 31.823 -0.146 0.000 0.985 138 V HN 0.531 nan 8.190 nan 0.000 0.436 139 F N 1.959 121.690 119.950 -0.365 0.000 2.508 139 F HA 0.511 5.546 4.527 0.847 0.000 0.325 139 F C 0.619 176.336 175.800 -0.139 0.000 1.090 139 F CA -0.506 57.321 58.000 -0.289 0.000 0.945 139 F CB 2.142 40.872 39.000 -0.450 0.000 1.156 139 F HN 0.386 nan 8.300 nan 0.000 0.463 140 S N 1.927 117.691 115.700 0.107 0.000 2.404 140 S HA 0.504 5.482 4.470 0.847 0.000 0.309 140 S C -0.588 174.025 174.600 0.022 0.000 1.076 140 S CA -0.364 57.862 58.200 0.044 0.000 1.095 140 S CB -0.198 63.011 63.200 0.015 0.000 0.972 140 S HN 0.643 nan 8.310 nan 0.000 0.484 141 T N 3.466 117.974 114.554 -0.077 0.000 2.885 141 T HA 0.337 5.195 4.350 0.847 0.000 0.285 141 T C -0.894 173.539 174.700 -0.445 0.000 1.019 141 T CA -0.755 61.169 62.100 -0.293 0.000 1.010 141 T CB 1.388 69.953 68.868 -0.506 0.000 1.022 141 T HN 0.495 nan 8.240 nan 0.000 0.466 142 D N 1.108 121.306 120.400 -0.337 0.000 2.380 142 D HA 0.246 5.394 4.640 0.847 0.000 0.230 142 D C -0.321 175.847 176.300 -0.221 0.000 1.154 142 D CA -0.712 53.169 54.000 -0.198 0.000 0.859 142 D CB 0.136 40.890 40.800 -0.078 0.000 1.045 142 D HN 0.481 nan 8.370 nan 0.000 0.495 143 F N 1.245 121.234 119.950 0.065 0.000 2.692 143 F HA 0.000 5.035 4.527 0.847 0.000 0.303 143 F C 2.259 178.076 175.800 0.028 0.000 1.114 143 F CA -0.258 57.769 58.000 0.045 0.000 1.361 143 F CB 0.336 39.373 39.000 0.061 0.000 1.063 143 F HN 0.311 nan 8.300 nan 0.000 0.550 144 S N -1.243 114.545 115.700 0.146 0.000 2.593 144 S HA 0.000 4.978 4.470 0.847 0.000 0.217 144 S C 0.760 175.399 174.600 0.064 0.000 0.966 144 S CA -0.022 58.231 58.200 0.089 0.000 0.914 144 S CB -0.187 63.044 63.200 0.052 0.000 0.776 144 S HN 0.248 nan 8.310 nan 0.000 0.523 145 N N 1.763 120.500 118.700 0.062 0.000 2.918 145 N HA 0.272 5.520 4.740 0.847 0.000 0.270 145 N C 0.821 176.366 175.510 0.058 0.000 1.536 145 N CA -0.383 52.691 53.050 0.041 0.000 0.877 145 N CB 0.503 38.998 38.487 0.013 0.000 1.190 145 N HN 0.572 nan 8.380 nan 0.000 0.492 146 I N -1.438 119.181 120.570 0.081 0.000 2.502 146 I HA -0.197 4.481 4.170 0.847 0.000 0.258 146 I C 1.967 178.116 176.117 0.054 0.000 1.172 146 I CA 1.039 62.397 61.300 0.096 0.000 1.430 146 I CB -0.185 37.858 38.000 0.073 0.000 1.086 146 I HN 0.184 nan 8.210 nan 0.000 0.440 147 S N 1.570 117.288 115.700 0.029 0.000 2.338 147 S HA -0.072 4.906 4.470 0.847 0.000 0.218 147 S C 2.313 176.911 174.600 -0.003 0.000 1.032 147 S CA 1.300 59.505 58.200 0.009 0.000 0.999 147 S CB -0.472 62.731 63.200 0.005 0.000 0.905 147 S HN 0.641 nan 8.310 nan 0.000 0.439 148 A N 1.597 124.413 122.820 -0.007 0.000 1.902 148 A HA 0.175 5.003 4.320 0.847 0.000 0.217 148 A C 2.495 180.051 177.584 -0.046 0.000 1.181 148 A CA 1.997 54.019 52.037 -0.026 0.000 0.623 148 A CB -1.482 17.502 19.000 -0.026 0.000 0.818 148 A HN 0.831 nan 8.150 nan 0.000 0.443 149 A N -0.232 122.570 122.820 -0.030 0.000 1.908 149 A HA -0.194 4.634 4.320 0.847 0.000 0.218 149 A C 2.124 179.670 177.584 -0.063 0.000 1.181 149 A CA 1.934 53.941 52.037 -0.049 0.000 0.627 149 A CB -0.457 18.604 19.000 0.101 0.000 0.818 149 A HN 0.556 nan 8.150 nan 0.000 0.445 150 K N -0.905 119.481 120.400 -0.024 0.000 2.026 150 K HA -0.197 4.631 4.320 0.847 0.000 0.208 150 K C 2.442 178.989 176.600 -0.089 0.000 1.048 150 K CA 1.603 57.858 56.287 -0.053 0.000 0.929 150 K CB -0.199 32.288 32.500 -0.022 0.000 0.713 150 K HN 0.624 nan 8.250 nan 0.000 0.439 151 Q N 1.004 120.764 119.800 -0.068 0.000 2.124 151 Q HA -0.207 4.641 4.340 0.847 0.000 0.202 151 Q C 1.802 177.749 176.000 -0.088 0.000 0.977 151 Q CA 1.447 57.212 55.803 -0.064 0.000 0.850 151 Q CB 0.140 28.852 28.738 -0.045 0.000 0.901 151 Q HN 0.339 nan 8.270 nan 0.000 0.429 152 E N 0.113 120.243 120.200 -0.116 0.000 2.038 152 E HA -0.211 4.647 4.350 0.847 0.000 0.195 152 E C 2.055 178.530 176.600 -0.209 0.000 1.000 152 E CA 1.447 57.759 56.400 -0.146 0.000 0.803 152 E CB -0.125 29.482 29.700 -0.156 0.000 0.750 152 E HN 0.412 nan 8.360 nan 0.000 0.448 153 I N 1.401 121.742 120.570 -0.381 0.000 2.142 153 I HA -0.277 4.401 4.170 0.847 0.000 0.240 153 I C 2.122 178.144 176.117 -0.158 0.000 1.078 153 I CA 0.796 61.766 61.300 -0.549 0.000 1.343 153 I CB -0.376 37.183 38.000 -0.736 0.000 1.046 153 I HN 0.072 nan 8.210 nan 0.000 0.405 154 N N 0.845 119.475 118.700 -0.116 0.000 2.104 154 N HA -0.180 5.068 4.740 0.847 0.000 0.190 154 N C 2.072 177.561 175.510 -0.034 0.000 1.024 154 N CA 1.996 55.016 53.050 -0.050 0.000 0.853 154 N CB -0.514 37.946 38.487 -0.046 0.000 1.008 154 N HN 0.437 nan 8.380 nan 0.000 0.424 155 S N 0.006 115.683 115.700 -0.038 0.000 2.402 155 S HA -0.161 4.817 4.470 0.847 0.000 0.229 155 S C 1.863 176.452 174.600 -0.018 0.000 1.021 155 S CA 0.832 59.014 58.200 -0.030 0.000 0.974 155 S CB -0.647 62.534 63.200 -0.031 0.000 0.800 155 S HN 0.439 nan 8.310 nan 0.000 0.484 156 H N 1.096 120.119 119.070 -0.078 0.000 2.387 156 H HA -0.002 5.062 4.556 0.847 0.000 0.299 156 H C 1.915 177.190 175.328 -0.088 0.000 1.090 156 H CA 1.864 57.879 56.048 -0.054 0.000 1.332 156 H CB 0.005 29.772 29.762 0.008 0.000 1.386 156 H HN 0.384 nan 8.280 nan 0.000 0.516 157 V N 0.873 120.735 119.914 -0.087 0.000 2.488 157 V HA -0.141 4.487 4.120 0.847 0.000 0.246 157 V C 2.441 178.409 176.094 -0.209 0.000 1.046 157 V CA 1.628 63.798 62.300 -0.217 0.000 1.053 157 V CB -0.408 31.399 31.823 -0.026 0.000 0.679 157 V HN 0.396 nan 8.190 nan 0.000 0.458 158 E N -0.218 119.912 120.200 -0.117 0.000 2.110 158 E HA -0.244 4.614 4.350 0.847 0.000 0.193 158 E C 2.230 178.756 176.600 -0.122 0.000 0.988 158 E CA 1.461 57.808 56.400 -0.089 0.000 0.804 158 E CB -0.069 29.598 29.700 -0.055 0.000 0.745 158 E HN 0.520 nan 8.360 nan 0.000 0.458 159 M N 0.181 119.685 119.600 -0.160 0.000 2.099 159 M HA -0.180 4.808 4.480 0.847 0.000 0.262 159 M C 2.070 178.230 176.300 -0.234 0.000 1.067 159 M CA 1.301 56.500 55.300 -0.169 0.000 1.124 159 M CB 0.066 32.575 32.600 -0.151 0.000 1.353 159 M HN 0.031 nan 8.290 nan 0.000 0.410 160 Q N -0.471 119.102 119.800 -0.378 0.000 2.167 160 Q HA -0.101 4.748 4.340 0.847 0.000 0.202 160 Q C 1.671 177.504 176.000 -0.279 0.000 0.970 160 Q CA 1.962 57.515 55.803 -0.416 0.000 0.855 160 Q CB -0.620 27.615 28.738 -0.838 0.000 0.911 160 Q HN 0.655 nan 8.270 nan 0.000 0.438 161 T N -2.722 111.705 114.554 -0.211 0.000 3.186 161 T HA 0.234 5.092 4.350 0.847 0.000 0.257 161 T C 0.113 174.817 174.700 0.006 0.000 1.029 161 T CA -0.400 61.696 62.100 -0.007 0.000 0.916 161 T CB -0.013 68.898 68.868 0.072 0.000 1.041 161 T HN 0.190 nan 8.240 nan 0.000 0.562 162 K N 0.984 121.318 120.400 -0.110 0.000 3.071 162 K HA -0.204 4.625 4.320 0.847 0.000 0.262 162 K C 1.114 177.702 176.600 -0.021 0.000 0.977 162 K CA 0.417 56.655 56.287 -0.081 0.000 0.721 162 K CB -2.078 30.364 32.500 -0.097 0.000 1.293 162 K HN 0.933 nan 8.250 nan 0.000 0.475 163 G N -0.549 108.236 108.800 -0.026 0.000 2.176 163 G HA2 -0.334 4.134 3.960 0.847 0.000 0.253 163 G HA3 -0.334 4.134 3.960 0.847 0.000 0.253 163 G C 0.912 175.817 174.900 0.008 0.000 0.979 163 G CA 0.620 45.711 45.100 -0.014 0.000 0.641 163 G HN 0.287 nan 8.290 nan 0.000 0.530 164 K N -0.269 120.153 120.400 0.037 0.000 2.029 164 K HA 0.178 5.006 4.320 0.847 0.000 0.205 164 K C 1.358 177.993 176.600 0.058 0.000 1.042 164 K CA 1.180 57.504 56.287 0.062 0.000 0.949 164 K CB -0.251 32.320 32.500 0.118 0.000 0.740 164 K HN 0.337 nan 8.250 nan 0.000 0.442 165 V N 3.761 123.715 119.914 0.067 0.000 2.338 165 V HA 0.112 4.740 4.120 0.847 0.000 0.255 165 V C -0.009 176.098 176.094 0.022 0.000 1.082 165 V CA -0.370 61.967 62.300 0.062 0.000 0.951 165 V CB 0.674 32.555 31.823 0.096 0.000 1.102 165 V HN -0.109 nan 8.190 nan 0.000 0.489 166 V N 3.266 123.189 119.914 0.015 0.000 2.483 166 V HA 0.764 5.393 4.120 0.847 0.000 0.295 166 V C 1.044 177.137 176.094 -0.001 0.000 1.035 166 V CA 0.028 62.328 62.300 -0.001 0.000 0.896 166 V CB 1.290 33.110 31.823 -0.005 0.000 0.986 166 V HN 1.042 nan 8.190 nan 0.000 0.447 167 G N 3.375 112.170 108.800 -0.008 0.000 2.359 167 G HA2 -0.216 4.252 3.960 0.847 0.000 0.298 167 G HA3 -0.216 4.252 3.960 0.847 0.000 0.298 167 G C 0.421 175.319 174.900 -0.003 0.000 1.030 167 G CA 0.492 45.586 45.100 -0.010 0.000 1.149 167 G HN 0.966 nan 8.290 nan 0.000 0.512 168 L N -0.076 121.152 121.223 0.008 0.000 2.042 168 L HA 0.240 5.088 4.340 0.847 0.000 0.210 168 L C 1.500 178.382 176.870 0.020 0.000 1.076 168 L CA 1.679 56.535 54.840 0.027 0.000 0.749 168 L CB 0.019 42.116 42.059 0.064 0.000 0.893 168 L HN 0.492 nan 8.230 nan 0.000 0.432 169 I N -0.376 120.197 120.570 0.005 0.000 2.362 169 I HA 0.144 4.822 4.170 0.847 0.000 0.289 169 I C 0.786 176.899 176.117 -0.007 0.000 0.994 169 I CA -0.119 61.183 61.300 0.003 0.000 1.158 169 I CB 1.568 39.564 38.000 -0.006 0.000 1.315 169 I HN 0.216 nan 8.210 nan 0.000 0.451 170 Q N 2.289 122.086 119.800 -0.005 0.000 2.304 170 Q HA 0.036 4.884 4.340 0.847 0.000 0.204 170 Q C -0.097 175.899 176.000 -0.006 0.000 0.936 170 Q CA 0.608 56.406 55.803 -0.009 0.000 0.878 170 Q CB 0.517 29.248 28.738 -0.012 0.000 0.983 170 Q HN 0.566 nan 8.270 nan 0.000 0.516 171 D N 0.100 120.498 120.400 -0.003 0.000 2.217 171 D HA 0.427 5.576 4.640 0.847 0.000 0.243 171 D C -1.694 174.603 176.300 -0.004 0.000 1.054 171 D CA -0.444 53.554 54.000 -0.003 0.000 0.838 171 D CB 1.287 42.085 40.800 -0.003 0.000 1.162 171 D HN -0.127 nan 8.370 nan 0.000 0.472 172 L N 3.371 124.590 121.223 -0.006 0.000 2.541 172 L HA 0.340 5.188 4.340 0.847 0.000 0.266 172 L C -0.527 176.332 176.870 -0.019 0.000 0.966 172 L CA -0.544 54.285 54.840 -0.018 0.000 0.871 172 L CB 1.345 43.402 42.059 -0.003 0.000 1.232 172 L HN 0.329 nan 8.230 nan 0.000 0.408 173 K N 5.025 125.404 120.400 -0.035 0.000 2.380 173 K HA 0.180 5.008 4.320 0.847 0.000 0.267 173 K C -1.694 174.890 176.600 -0.027 0.000 0.990 173 K CA -1.140 55.131 56.287 -0.028 0.000 0.946 173 K CB 0.358 32.840 32.500 -0.030 0.000 0.937 173 K HN 0.349 nan 8.250 nan 0.000 0.491 174 P HA -0.124 nan 4.420 nan 0.000 0.221 174 P C 0.655 177.959 177.300 0.007 0.000 1.150 174 P CA 1.102 64.210 63.100 0.014 0.000 0.800 174 P CB 0.165 31.875 31.700 0.016 0.000 0.787 175 N N -0.141 118.552 118.700 -0.013 0.000 2.166 175 N HA -0.094 5.154 4.740 0.847 0.000 0.186 175 N C -0.148 175.332 175.510 -0.050 0.000 1.019 175 N CA 0.983 54.025 53.050 -0.014 0.000 0.856 175 N CB -0.960 37.521 38.487 -0.011 0.000 0.993 175 N HN 0.055 nan 8.380 nan 0.000 0.426 176 T N -1.012 113.457 114.554 -0.142 0.000 2.588 176 T HA -0.131 4.727 4.350 0.847 0.000 0.236 176 T C 1.273 175.748 174.700 -0.375 0.000 1.027 176 T CA 0.405 62.306 62.100 -0.331 0.000 1.167 176 T CB -0.075 68.445 68.868 -0.580 0.000 1.014 176 T HN 0.213 nan 8.240 nan 0.000 0.476 177 I N 2.088 122.533 120.570 -0.208 0.000 3.039 177 I HA 0.299 4.978 4.170 0.847 0.000 0.270 177 I C 1.127 177.242 176.117 -0.003 0.000 1.150 177 I CA 0.273 61.561 61.300 -0.020 0.000 1.448 177 I CB 0.302 38.326 38.000 0.040 0.000 1.197 177 I HN 0.657 nan 8.210 nan 0.000 0.450 178 M N 1.289 120.837 119.600 -0.087 0.000 2.271 178 M HA 0.445 5.433 4.480 0.847 0.000 0.285 178 M C -1.978 174.316 176.300 -0.011 0.000 1.059 178 M CA -0.469 54.825 55.300 -0.009 0.000 0.940 178 M CB 2.211 34.749 32.600 -0.103 0.000 1.636 178 M HN -0.300 nan 8.290 nan 0.000 0.460 179 V N 5.327 125.325 119.914 0.140 0.000 2.370 179 V HA 0.496 5.124 4.120 0.847 0.000 0.283 179 V C -0.810 175.456 176.094 0.286 0.000 1.023 179 V CA -0.778 61.629 62.300 0.179 0.000 0.857 179 V CB 1.430 33.365 31.823 0.187 0.000 0.985 179 V HN 0.783 nan 8.190 nan 0.000 0.443 180 L N 6.778 128.125 121.223 0.207 0.000 2.282 180 L HA 0.737 5.585 4.340 0.847 0.000 0.288 180 L C -0.551 176.481 176.870 0.269 0.000 1.033 180 L CA 0.152 55.120 54.840 0.214 0.000 0.807 180 L CB 1.611 43.743 42.059 0.121 0.000 1.209 180 L HN 0.439 nan 8.230 nan 0.000 0.423 181 V N 5.464 125.578 119.914 0.335 0.000 2.531 181 V HA 0.559 5.187 4.120 0.847 0.000 0.301 181 V C -0.756 175.559 176.094 0.368 0.000 1.034 181 V CA -0.561 61.973 62.300 0.390 0.000 0.865 181 V CB 1.950 34.086 31.823 0.523 0.000 0.995 181 V HN 0.995 nan 8.190 nan 0.000 0.424 182 N N 3.848 122.759 118.700 0.352 0.000 2.229 182 N HA 0.828 6.076 4.740 0.847 0.000 0.298 182 N C -1.077 174.680 175.510 0.412 0.000 1.114 182 N CA -0.713 52.478 53.050 0.234 0.000 0.776 182 N CB 2.420 40.942 38.487 0.059 0.000 1.501 182 N HN 0.606 nan 8.380 nan 0.000 0.474 183 Y N -0.655 119.801 120.300 0.260 0.000 2.705 183 Y HA 0.702 5.760 4.550 0.847 0.000 0.332 183 Y C -1.755 174.265 175.900 0.201 0.000 1.221 183 Y CA -1.488 56.789 58.100 0.294 0.000 1.059 183 Y CB 1.243 39.852 38.460 0.248 0.000 1.298 183 Y HN 0.673 nan 8.280 nan 0.000 0.459 184 I N 1.454 122.291 120.570 0.445 0.000 2.656 184 I HA 0.438 5.116 4.170 0.847 0.000 0.292 184 I C -1.938 174.448 176.117 0.449 0.000 1.144 184 I CA -0.684 60.792 61.300 0.294 0.000 1.038 184 I CB 1.915 39.916 38.000 0.001 0.000 1.244 184 I HN 0.989 nan 8.210 nan 0.000 0.420 185 H N 7.253 126.516 119.070 0.322 0.000 2.504 185 H HA 0.557 5.621 4.556 0.847 0.000 0.322 185 H C -2.134 173.396 175.328 0.337 0.000 1.055 185 H CA -0.343 55.881 56.048 0.293 0.000 1.231 185 H CB 1.215 31.103 29.762 0.211 0.000 1.417 185 H HN 0.462 nan 8.280 nan 0.000 0.472 186 F N 5.294 124.998 119.950 -0.410 0.000 2.562 186 F HA 0.444 5.478 4.527 0.846 0.000 0.319 186 F C -1.593 173.982 175.800 -0.376 0.000 1.154 186 F CA -0.834 56.988 58.000 -0.297 0.000 0.931 186 F CB 1.257 40.318 39.000 0.101 0.000 1.198 186 F HN 0.608 nan 8.300 nan 0.000 0.444 187 K N 5.193 125.082 120.400 -0.851 0.000 2.615 187 K HA 0.842 5.671 4.320 0.847 0.000 0.249 187 K C -2.086 174.093 176.600 -0.701 0.000 0.977 187 K CA -0.463 55.414 56.287 -0.683 0.000 0.833 187 K CB 1.515 33.814 32.500 -0.334 0.000 1.208 187 K HN 0.834 nan 8.250 nan 0.000 0.443 188 A N 3.225 125.600 122.820 -0.741 0.000 2.612 188 A HA 0.561 5.389 4.320 0.847 0.000 0.293 188 A C -1.868 175.545 177.584 -0.284 0.000 1.075 188 A CA -0.790 50.914 52.037 -0.555 0.000 0.680 188 A CB 1.897 20.333 19.000 -0.941 0.000 1.279 188 A HN 0.567 nan 8.150 nan 0.000 0.411 189 Q N -0.028 119.731 119.800 -0.069 0.000 2.266 189 Q HA 0.517 5.365 4.340 0.847 0.000 0.261 189 Q C -1.191 174.871 176.000 0.103 0.000 0.985 189 Q CA -0.012 55.774 55.803 -0.029 0.000 0.873 189 Q CB 1.145 29.892 28.738 0.013 0.000 1.306 189 Q HN 0.693 nan 8.270 nan 0.000 0.447 190 W N 0.828 122.202 121.300 0.123 0.000 2.193 190 W HA 0.215 5.388 4.660 0.854 0.000 0.338 190 W C 1.164 177.679 176.519 -0.006 0.000 1.310 190 W CA -0.207 57.128 57.345 -0.017 0.000 1.243 190 W CB 0.590 30.025 29.460 -0.042 0.000 1.165 190 W HN 0.852 nan 8.180 nan 0.000 0.566 191 A N 2.819 125.805 122.820 0.277 0.000 1.933 191 A HA -0.142 4.687 4.320 0.847 0.000 0.218 191 A C 0.793 178.398 177.584 0.035 0.000 1.175 191 A CA 1.079 53.192 52.037 0.126 0.000 0.628 191 A CB -0.316 18.739 19.000 0.091 0.000 0.814 191 A HN 0.637 nan 8.150 nan 0.000 0.444 192 N N 0.770 119.455 118.700 -0.024 0.000 2.800 192 N HA 0.345 5.593 4.740 0.847 0.000 0.240 192 N C -3.123 172.261 175.510 -0.210 0.000 1.096 192 N CA -1.337 51.615 53.050 -0.162 0.000 0.877 192 N CB 0.795 39.088 38.487 -0.323 0.000 1.138 192 N HN 0.137 nan 8.380 nan 0.000 0.509 193 P HA 0.113 nan 4.420 nan 0.000 0.269 193 P C -0.263 176.978 177.300 -0.097 0.000 1.209 193 P CA 0.136 63.286 63.100 0.084 0.000 0.776 193 P CB 0.412 32.191 31.700 0.132 0.000 0.876 194 F N 0.458 120.462 119.950 0.089 0.000 2.375 194 F HA 0.162 5.194 4.527 0.841 0.000 0.333 194 F C 1.362 177.173 175.800 0.020 0.000 1.104 194 F CA 0.040 58.044 58.000 0.006 0.000 1.149 194 F CB 0.377 39.370 39.000 -0.013 0.000 1.190 194 F HN 0.205 nan 8.300 nan 0.000 0.533 195 D N 3.704 124.207 120.400 0.172 0.000 2.339 195 D HA 0.154 5.302 4.640 0.847 0.000 0.256 195 D C -1.783 174.590 176.300 0.121 0.000 1.214 195 D CA -2.040 52.023 54.000 0.104 0.000 0.877 195 D CB 1.463 42.287 40.800 0.041 0.000 1.111 195 D HN 0.144 nan 8.370 nan 0.000 0.478 196 P HA -0.121 nan 4.420 nan 0.000 0.220 196 P C 1.248 178.590 177.300 0.070 0.000 1.148 196 P CA 0.898 64.052 63.100 0.090 0.000 0.803 196 P CB 0.135 31.884 31.700 0.081 0.000 0.782 197 S N -1.022 114.715 115.700 0.062 0.000 2.481 197 S HA -0.036 4.942 4.470 0.847 0.000 0.231 197 S C 1.635 176.274 174.600 0.064 0.000 0.996 197 S CA 0.751 58.983 58.200 0.054 0.000 0.942 197 S CB -0.706 62.519 63.200 0.043 0.000 0.768 197 S HN 0.077 nan 8.310 nan 0.000 0.520 198 K N 1.408 121.852 120.400 0.073 0.000 2.393 198 K HA 0.151 4.979 4.320 0.847 0.000 0.193 198 K C 0.010 176.689 176.600 0.132 0.000 1.026 198 K CA 0.210 56.557 56.287 0.100 0.000 1.064 198 K CB -0.070 32.457 32.500 0.046 0.000 0.833 198 K HN 0.368 nan 8.250 nan 0.000 0.521 199 T N 2.529 117.138 114.554 0.091 0.000 2.834 199 T HA 0.085 4.943 4.350 0.847 0.000 0.298 199 T C 0.175 174.921 174.700 0.076 0.000 0.966 199 T CA 0.051 62.193 62.100 0.071 0.000 1.141 199 T CB 0.993 69.884 68.868 0.038 0.000 0.905 199 T HN 0.062 nan 8.240 nan 0.000 0.535 200 E N 1.718 121.969 120.200 0.085 0.000 2.354 200 E HA 0.045 4.903 4.350 0.847 0.000 0.269 200 E C 0.623 177.251 176.600 0.048 0.000 1.036 200 E CA -0.444 55.996 56.400 0.067 0.000 0.876 200 E CB 0.834 30.575 29.700 0.067 0.000 1.009 200 E HN 0.551 nan 8.360 nan 0.000 0.416 201 D N 0.840 121.263 120.400 0.039 0.000 2.183 201 D HA -0.073 5.075 4.640 0.847 0.000 0.203 201 D C -0.125 176.192 176.300 0.028 0.000 0.969 201 D CA 0.820 54.840 54.000 0.033 0.000 0.842 201 D CB 0.386 41.203 40.800 0.029 0.000 0.957 201 D HN 0.190 nan 8.370 nan 0.000 0.484 202 S N -0.454 115.262 115.700 0.026 0.000 2.536 202 S HA 0.452 5.430 4.470 0.847 0.000 0.246 202 S C -1.360 173.252 174.600 0.021 0.000 1.077 202 S CA -0.641 57.573 58.200 0.023 0.000 1.091 202 S CB 0.434 63.645 63.200 0.019 0.000 1.148 202 S HN -0.040 nan 8.310 nan 0.000 0.447 203 S N 2.548 118.264 115.700 0.028 0.000 2.532 203 S HA 0.596 5.575 4.470 0.847 0.000 0.301 203 S C -0.241 174.389 174.600 0.051 0.000 1.083 203 S CA -0.684 57.530 58.200 0.023 0.000 1.025 203 S CB 1.809 65.019 63.200 0.017 0.000 1.056 203 S HN 0.692 nan 8.310 nan 0.000 0.494 204 S N 2.095 117.814 115.700 0.032 0.000 2.531 204 S HA 0.409 5.388 4.470 0.847 0.000 0.279 204 S C -0.778 173.884 174.600 0.104 0.000 1.305 204 S CA -0.222 58.009 58.200 0.051 0.000 1.058 204 S CB -0.170 63.032 63.200 0.003 0.000 0.899 204 S HN 0.552 nan 8.310 nan 0.000 0.493 205 F N 3.536 123.468 119.950 -0.030 0.000 2.536 205 F HA 0.497 5.532 4.527 0.846 0.000 0.322 205 F C -1.321 174.467 175.800 -0.020 0.000 1.144 205 F CA -1.120 56.864 58.000 -0.026 0.000 0.924 205 F CB 0.660 39.645 39.000 -0.025 0.000 1.181 205 F HN 0.301 nan 8.300 nan 0.000 0.438 206 L N 7.247 128.213 121.223 -0.428 0.000 2.367 206 L HA 0.305 5.153 4.340 0.847 0.000 0.275 206 L C 0.992 177.733 176.870 -0.214 0.000 1.129 206 L CA 0.315 55.004 54.840 -0.252 0.000 0.839 206 L CB 1.116 43.031 42.059 -0.239 0.000 1.133 206 L HN 0.780 nan 8.230 nan 0.000 0.453 207 I N -2.082 118.491 120.570 0.006 0.000 3.971 207 I HA 0.389 5.067 4.170 0.847 0.000 0.303 207 I C 0.617 176.751 176.117 0.028 0.000 1.233 207 I CA 0.028 61.374 61.300 0.077 0.000 1.346 207 I CB 0.401 38.484 38.000 0.138 0.000 1.273 207 I HN 0.520 nan 8.210 nan 0.000 0.448 208 D N 0.945 121.353 120.400 0.013 0.000 2.509 208 D HA 0.310 5.458 4.640 0.847 0.000 0.275 208 D C 0.799 177.092 176.300 -0.012 0.000 1.189 208 D CA -0.401 53.603 54.000 0.006 0.000 1.098 208 D CB 1.147 41.953 40.800 0.010 0.000 1.177 208 D HN -0.037 nan 8.370 nan 0.000 0.599 209 K N -1.486 118.909 120.400 -0.010 0.000 2.353 209 K HA 0.203 5.031 4.320 0.847 0.000 0.195 209 K C -0.177 176.414 176.600 -0.016 0.000 1.031 209 K CA 0.328 56.604 56.287 -0.018 0.000 1.079 209 K CB 0.902 33.395 32.500 -0.012 0.000 0.857 209 K HN 0.180 nan 8.250 nan 0.000 0.535 210 T N 1.172 115.722 114.554 -0.008 0.000 3.672 210 T HA 0.102 4.960 4.350 0.847 0.000 0.296 210 T C -0.840 173.860 174.700 0.001 0.000 0.979 210 T CA -0.453 61.644 62.100 -0.005 0.000 1.013 210 T CB 0.739 69.605 68.868 -0.003 0.000 1.184 210 T HN 0.075 nan 8.240 nan 0.000 0.477 211 T N 0.078 114.634 114.554 0.003 0.000 3.041 211 T HA 0.666 5.524 4.350 0.847 0.000 0.321 211 T C -0.522 174.191 174.700 0.021 0.000 1.184 211 T CA -0.932 61.177 62.100 0.014 0.000 1.050 211 T CB 2.044 70.926 68.868 0.023 0.000 1.159 211 T HN 0.171 nan 8.240 nan 0.000 0.469 212 T N -1.079 113.494 114.554 0.031 0.000 2.916 212 T HA 0.871 5.729 4.350 0.847 0.000 0.292 212 T C -0.201 174.546 174.700 0.079 0.000 1.055 212 T CA -0.894 61.239 62.100 0.055 0.000 1.009 212 T CB 1.586 70.473 68.868 0.031 0.000 1.118 212 T HN 1.378 nan 8.240 nan 0.000 0.497 213 V N -0.847 119.145 119.914 0.130 0.000 2.962 213 V HA 0.669 5.297 4.120 0.847 0.000 0.313 213 V C -1.026 175.122 176.094 0.090 0.000 1.099 213 V CA -1.226 61.129 62.300 0.092 0.000 0.971 213 V CB 1.997 33.860 31.823 0.067 0.000 1.028 213 V HN 0.828 nan 8.190 nan 0.000 0.430 214 Q N 2.221 122.048 119.800 0.046 0.000 2.361 214 Q HA 0.553 5.401 4.340 0.847 0.000 0.250 214 Q C -0.558 175.449 176.000 0.012 0.000 1.023 214 Q CA -0.047 55.778 55.803 0.037 0.000 0.915 214 Q CB 1.261 30.014 28.738 0.025 0.000 1.238 214 Q HN 0.730 nan 8.270 nan 0.000 0.451 215 V N 5.346 125.268 119.914 0.013 0.000 2.555 215 V HA 0.406 5.034 4.120 0.847 0.000 0.302 215 V C -2.100 174.001 176.094 0.012 0.000 1.038 215 V CA -2.106 60.177 62.300 -0.028 0.000 0.887 215 V CB 1.841 33.576 31.823 -0.148 0.000 0.991 215 V HN 0.590 nan 8.190 nan 0.000 0.434 216 P HA 0.166 nan 4.420 nan 0.000 0.268 216 P C -0.819 176.497 177.300 0.027 0.000 1.205 216 P CA -0.266 62.852 63.100 0.029 0.000 0.771 216 P CB 0.675 32.396 31.700 0.034 0.000 0.858 217 M N 3.941 123.564 119.600 0.038 0.000 2.085 217 M HA 0.333 5.321 4.480 0.847 0.000 0.309 217 M C -0.424 175.899 176.300 0.039 0.000 0.947 217 M CA -0.498 54.832 55.300 0.050 0.000 0.918 217 M CB 0.727 33.387 32.600 0.100 0.000 1.504 217 M HN 0.223 nan 8.290 nan 0.000 0.420 218 M N 3.592 123.130 119.600 -0.103 0.000 2.238 218 M HA 0.208 5.196 4.480 0.847 0.000 0.347 218 M C -0.317 175.897 176.300 -0.143 0.000 1.173 218 M CA 0.227 55.382 55.300 -0.242 0.000 1.147 218 M CB 0.539 32.698 32.600 -0.735 0.000 1.547 218 M HN 0.565 nan 8.290 nan 0.000 0.455 219 H N 2.731 121.709 119.070 -0.153 0.000 2.744 219 H HA 0.430 5.489 4.556 0.839 0.000 0.339 219 H C -1.835 173.463 175.328 -0.050 0.000 1.004 219 H CA -0.532 55.362 56.048 -0.256 0.000 1.257 219 H CB 1.636 31.240 29.762 -0.264 0.000 1.552 219 H HN 0.761 nan 8.280 nan 0.000 0.522 220 Q N 5.097 124.711 119.800 -0.310 0.000 2.340 220 Q HA 0.316 5.164 4.340 0.847 0.000 0.276 220 Q C -1.634 174.184 176.000 -0.303 0.000 1.048 220 Q CA -1.221 54.383 55.803 -0.331 0.000 0.832 220 Q CB 2.468 31.087 28.738 -0.198 0.000 1.373 220 Q HN 0.691 nan 8.270 nan 0.000 0.409 221 M N 2.016 121.464 119.600 -0.252 0.000 2.125 221 M HA 0.703 5.691 4.480 0.847 0.000 0.321 221 M C -1.296 175.014 176.300 0.017 0.000 0.983 221 M CA 0.142 55.389 55.300 -0.089 0.000 0.934 221 M CB 1.771 34.314 32.600 -0.094 0.000 1.542 221 M HN 0.577 nan 8.290 nan 0.000 0.424 222 E N 1.778 122.006 120.200 0.047 0.000 2.425 222 E HA 0.425 5.283 4.350 0.847 0.000 0.272 222 E C -1.643 174.609 176.600 -0.580 0.000 1.061 222 E CA -0.491 55.778 56.400 -0.218 0.000 0.877 222 E CB 1.437 30.875 29.700 -0.437 0.000 1.590 222 E HN 0.762 nan 8.360 nan 0.000 0.462 223 Q N 1.253 120.425 119.800 -1.045 0.000 2.314 223 Q HA 0.337 5.185 4.340 0.847 0.000 0.257 223 Q C -0.992 174.451 176.000 -0.928 0.000 0.975 223 Q CA -0.035 55.156 55.803 -1.020 0.000 0.933 223 Q CB 0.673 28.738 28.738 -1.122 0.000 1.195 223 Q HN 0.368 nan 8.270 nan 0.000 0.426 224 Y N 0.645 120.769 120.300 -0.293 0.000 2.499 224 Y HA 0.283 5.337 4.550 0.841 0.000 0.347 224 Y C -0.692 175.171 175.900 -0.061 0.000 0.987 224 Y CA -1.083 56.934 58.100 -0.137 0.000 1.044 224 Y CB 1.293 39.696 38.460 -0.095 0.000 1.245 224 Y HN 0.470 nan 8.280 nan 0.000 0.461 225 Y N 4.321 124.701 120.300 0.132 0.000 2.402 225 Y HA 0.199 5.259 4.550 0.850 0.000 0.333 225 Y C 0.686 176.660 175.900 0.124 0.000 1.076 225 Y CA 0.426 58.560 58.100 0.058 0.000 1.299 225 Y CB 0.193 38.670 38.460 0.028 0.000 1.197 225 Y HN 0.558 nan 8.280 nan 0.000 0.517 226 H N 2.106 121.248 119.070 0.120 0.000 2.966 226 H HA 0.760 5.828 4.556 0.853 0.000 0.330 226 H C -2.246 173.081 175.328 -0.003 0.000 1.292 226 H CA -1.349 54.717 56.048 0.031 0.000 1.127 226 H CB 1.719 31.476 29.762 -0.008 0.000 1.863 226 H HN 0.586 nan 8.280 nan 0.000 0.543 227 L N 0.625 121.860 121.223 0.021 0.000 2.556 227 L HA 0.435 5.283 4.340 0.847 0.000 0.257 227 L C -1.691 175.161 176.870 -0.031 0.000 0.955 227 L CA -0.596 54.211 54.840 -0.055 0.000 0.850 227 L CB 2.269 44.246 42.059 -0.138 0.000 1.398 227 L HN 0.527 nan 8.230 nan 0.000 0.412 228 V N 3.528 123.446 119.914 0.006 0.000 2.318 228 V HA 0.344 4.972 4.120 0.847 0.000 0.271 228 V C -0.449 175.645 176.094 -0.000 0.000 1.030 228 V CA -0.527 61.774 62.300 0.002 0.000 0.844 228 V CB 0.943 32.788 31.823 0.036 0.000 1.015 228 V HN 0.697 nan 8.190 nan 0.000 0.460 229 D N 5.403 125.794 120.400 -0.016 0.000 2.336 229 D HA 0.170 5.319 4.640 0.847 0.000 0.249 229 D C 0.885 177.228 176.300 0.072 0.000 1.213 229 D CA -0.330 53.706 54.000 0.060 0.000 0.870 229 D CB 1.395 42.279 40.800 0.141 0.000 1.076 229 D HN 0.285 nan 8.370 nan 0.000 0.483 230 M N 2.820 122.462 119.600 0.070 0.000 2.349 230 M HA -0.055 4.933 4.480 0.847 0.000 0.266 230 M C 1.445 177.783 176.300 0.064 0.000 1.076 230 M CA 1.001 56.336 55.300 0.057 0.000 1.126 230 M CB -0.466 32.163 32.600 0.048 0.000 1.392 230 M HN 0.326 nan 8.290 nan 0.000 0.440 231 E N 0.539 120.787 120.200 0.082 0.000 2.076 231 E HA 0.033 4.892 4.350 0.847 0.000 0.190 231 E C 1.859 178.508 176.600 0.081 0.000 0.979 231 E CA 0.879 57.323 56.400 0.074 0.000 0.807 231 E CB -0.075 29.669 29.700 0.074 0.000 0.761 231 E HN 0.411 nan 8.360 nan 0.000 0.454 232 L N 0.332 121.627 121.223 0.119 0.000 2.607 232 L HA 0.207 5.055 4.340 0.847 0.000 0.228 232 L C -0.119 176.818 176.870 0.111 0.000 1.123 232 L CA -0.219 54.698 54.840 0.128 0.000 0.890 232 L CB -0.148 42.036 42.059 0.208 0.000 1.103 232 L HN 0.077 nan 8.230 nan 0.000 0.468 233 N N 1.122 119.875 118.700 0.088 0.000 2.738 233 N HA -0.162 5.087 4.740 0.847 0.000 0.249 233 N C -0.437 175.109 175.510 0.059 0.000 1.047 233 N CA 1.132 54.220 53.050 0.062 0.000 0.707 233 N CB -1.442 37.076 38.487 0.052 0.000 0.937 233 N HN 0.595 nan 8.380 nan 0.000 0.545 234 C N -3.243 116.090 119.300 0.054 0.000 3.241 234 C HA 0.748 5.716 4.460 0.847 0.000 0.312 234 C C 0.345 175.306 174.990 -0.048 0.000 1.350 234 C CA -0.659 58.371 59.018 0.021 0.000 1.415 234 C CB 1.885 29.659 27.740 0.056 0.000 1.770 234 C HN 0.274 nan 8.230 nan 0.000 0.466 235 T N 1.943 116.457 114.554 -0.066 0.000 2.794 235 T HA 0.618 5.476 4.350 0.847 0.000 0.280 235 T C -0.358 174.239 174.700 -0.172 0.000 0.987 235 T CA -0.233 61.806 62.100 -0.101 0.000 0.993 235 T CB 1.284 70.118 68.868 -0.057 0.000 0.939 235 T HN 0.737 nan 8.240 nan 0.000 0.449 236 V N 4.736 124.488 119.914 -0.269 0.000 2.417 236 V HA 0.583 5.211 4.120 0.847 0.000 0.291 236 V C -0.400 175.632 176.094 -0.103 0.000 1.024 236 V CA -0.846 61.257 62.300 -0.328 0.000 0.861 236 V CB 1.477 32.827 31.823 -0.790 0.000 0.985 236 V HN 0.712 nan 8.190 nan 0.000 0.436 237 L N 4.226 125.447 121.223 -0.003 0.000 2.362 237 L HA 0.609 5.457 4.340 0.847 0.000 0.275 237 L C -0.400 176.566 176.870 0.160 0.000 0.998 237 L CA -0.016 54.865 54.840 0.069 0.000 0.820 237 L CB 1.839 43.877 42.059 -0.035 0.000 1.270 237 L HN 0.788 nan 8.230 nan 0.000 0.415 238 Q N 5.393 125.307 119.800 0.190 0.000 2.307 238 Q HA 0.525 5.374 4.340 0.847 0.000 0.262 238 Q C -1.666 174.488 176.000 0.256 0.000 0.961 238 Q CA -0.608 55.330 55.803 0.224 0.000 0.882 238 Q CB 1.565 30.422 28.738 0.199 0.000 1.264 238 Q HN 0.774 nan 8.270 nan 0.000 0.446 239 M N 3.664 123.408 119.600 0.240 0.000 2.134 239 M HA 0.320 5.308 4.480 0.847 0.000 0.310 239 M C -1.243 175.179 176.300 0.203 0.000 0.966 239 M CA -0.727 54.675 55.300 0.171 0.000 0.922 239 M CB 1.695 34.247 32.600 -0.080 0.000 1.537 239 M HN 0.548 nan 8.290 nan 0.000 0.424 240 D N 2.514 123.035 120.400 0.202 0.000 2.304 240 D HA 0.202 5.350 4.640 0.847 0.000 0.250 240 D C -0.731 175.741 176.300 0.286 0.000 1.107 240 D CA 0.403 54.545 54.000 0.237 0.000 0.885 240 D CB 0.984 41.890 40.800 0.177 0.000 1.192 240 D HN 0.352 nan 8.370 nan 0.000 0.436 241 Y N 0.175 120.711 120.300 0.393 0.000 2.289 241 Y HA -0.022 5.038 4.550 0.850 0.000 0.332 241 Y C 2.161 178.171 175.900 0.183 0.000 1.324 241 Y CA -0.285 57.989 58.100 0.290 0.000 1.478 241 Y CB 0.731 39.302 38.460 0.186 0.000 1.378 241 Y HN 0.327 nan 8.280 nan 0.000 0.558 242 S N -0.332 115.542 115.700 0.290 0.000 2.428 242 S HA -0.013 4.965 4.470 0.847 0.000 0.230 242 S C 0.392 175.077 174.600 0.142 0.000 1.014 242 S CA 0.673 58.975 58.200 0.170 0.000 0.957 242 S CB -0.019 63.252 63.200 0.118 0.000 0.784 242 S HN 0.487 nan 8.310 nan 0.000 0.499 243 K N 1.232 121.725 120.400 0.155 0.000 2.579 243 K HA 0.403 5.231 4.320 0.847 0.000 0.250 243 K C -0.188 176.493 176.600 0.136 0.000 0.952 243 K CA -0.307 56.050 56.287 0.117 0.000 0.857 243 K CB 0.374 32.922 32.500 0.081 0.000 1.123 243 K HN 0.064 nan 8.250 nan 0.000 0.433 244 N N 1.050 119.823 118.700 0.122 0.000 2.815 244 N HA -0.238 5.010 4.740 0.847 0.000 0.247 244 N C -1.417 174.170 175.510 0.128 0.000 1.030 244 N CA 1.411 54.523 53.050 0.104 0.000 0.881 244 N CB -0.327 38.209 38.487 0.082 0.000 1.134 244 N HN 0.573 nan 8.380 nan 0.000 0.582 245 A N -0.065 122.880 122.820 0.209 0.000 2.515 245 A HA 0.766 5.594 4.320 0.847 0.000 0.298 245 A C -0.620 177.251 177.584 0.478 0.000 1.059 245 A CA -0.666 51.533 52.037 0.270 0.000 0.698 245 A CB 1.549 20.689 19.000 0.233 0.000 1.289 245 A HN 0.363 nan 8.150 nan 0.000 0.404 246 L N -1.192 120.305 121.223 0.457 0.000 2.465 246 L HA 1.029 5.877 4.340 0.847 0.000 0.257 246 L C -0.302 176.850 176.870 0.470 0.000 0.988 246 L CA -0.740 54.388 54.840 0.480 0.000 0.827 246 L CB 1.838 44.057 42.059 0.268 0.000 1.397 246 L HN 1.170 nan 8.230 nan 0.000 0.410 247 A N 2.433 125.516 122.820 0.438 0.000 2.312 247 A HA 0.848 5.677 4.320 0.847 0.000 0.326 247 A C -0.842 176.836 177.584 0.156 0.000 1.172 247 A CA -0.533 51.682 52.037 0.297 0.000 0.821 247 A CB 1.026 20.226 19.000 0.334 0.000 1.166 247 A HN 0.780 nan 8.150 nan 0.000 0.493 248 L N 2.217 123.464 121.223 0.041 0.000 2.343 248 L HA 0.439 5.287 4.340 0.847 0.000 0.278 248 L C -1.498 175.346 176.870 -0.042 0.000 0.996 248 L CA -0.238 54.649 54.840 0.078 0.000 0.831 248 L CB 1.220 43.379 42.059 0.166 0.000 1.232 248 L HN 0.707 nan 8.230 nan 0.000 0.413 249 F N 3.421 123.418 119.950 0.078 0.000 2.391 249 F HA 0.341 5.380 4.527 0.853 0.000 0.359 249 F C 0.236 176.040 175.800 0.007 0.000 1.122 249 F CA -0.610 57.405 58.000 0.026 0.000 1.120 249 F CB 1.528 40.427 39.000 -0.169 0.000 1.142 249 F HN 0.011 nan 8.300 nan 0.000 0.483 250 V N 5.847 125.909 119.914 0.247 0.000 2.311 250 V HA 0.273 4.901 4.120 0.847 0.000 0.275 250 V C -0.543 175.673 176.094 0.203 0.000 1.022 250 V CA -0.609 61.781 62.300 0.150 0.000 0.830 250 V CB 1.326 33.268 31.823 0.199 0.000 1.012 250 V HN 0.500 nan 8.190 nan 0.000 0.452 251 L N 9.515 130.799 121.223 0.102 0.000 2.283 251 L HA 0.630 5.478 4.340 0.847 0.000 0.281 251 L C -2.430 174.480 176.870 0.066 0.000 1.033 251 L CA -1.546 53.356 54.840 0.103 0.000 0.848 251 L CB 1.502 43.576 42.059 0.025 0.000 1.226 251 L HN 0.372 nan 8.230 nan 0.000 0.429 252 P HA 0.221 nan 4.420 nan 0.000 0.278 252 P C -0.921 176.405 177.300 0.042 0.000 1.238 252 P CA -0.509 62.634 63.100 0.071 0.000 0.794 252 P CB 0.659 32.415 31.700 0.093 0.000 0.955 253 K N 1.413 121.832 120.400 0.031 0.000 2.344 253 K HA 0.024 4.852 4.320 0.847 0.000 0.260 253 K C 0.887 177.496 176.600 0.015 0.000 0.988 253 K CA -0.169 56.127 56.287 0.015 0.000 0.909 253 K CB 0.218 32.728 32.500 0.016 0.000 0.968 253 K HN 0.549 nan 8.250 nan 0.000 0.505 254 E N 0.844 121.045 120.200 0.002 0.000 2.415 254 E HA -0.023 4.835 4.350 0.847 0.000 0.263 254 E C 0.679 177.285 176.600 0.010 0.000 0.995 254 E CA 0.636 57.035 56.400 -0.001 0.000 0.915 254 E CB 0.402 30.093 29.700 -0.014 0.000 0.951 254 E HN 0.814 nan 8.360 nan 0.000 0.449 255 G N 3.331 112.139 108.800 0.014 0.000 2.184 255 G HA2 -0.295 4.173 3.960 0.847 0.000 0.264 255 G HA3 -0.295 4.173 3.960 0.847 0.000 0.264 255 G C 0.696 175.615 174.900 0.031 0.000 0.975 255 G CA 0.439 45.551 45.100 0.020 0.000 0.642 255 G HN 0.491 nan 8.290 nan 0.000 0.536 256 Q N -0.945 118.877 119.800 0.038 0.000 2.282 256 Q HA 0.332 5.180 4.340 0.847 0.000 0.206 256 Q C 2.207 178.247 176.000 0.066 0.000 0.878 256 Q CA 0.678 56.511 55.803 0.049 0.000 0.944 256 Q CB 0.124 28.891 28.738 0.048 0.000 1.100 256 Q HN 0.630 nan 8.270 nan 0.000 0.509 257 M N 2.065 121.707 119.600 0.070 0.000 2.073 257 M HA -0.250 4.738 4.480 0.847 0.000 0.258 257 M C 1.698 178.062 176.300 0.106 0.000 1.070 257 M CA 2.192 57.549 55.300 0.095 0.000 1.103 257 M CB -0.223 32.432 32.600 0.092 0.000 1.321 257 M HN 0.261 nan 8.290 nan 0.000 0.405 258 E N -1.055 119.198 120.200 0.089 0.000 2.107 258 E HA -0.122 4.736 4.350 0.847 0.000 0.191 258 E C 1.815 178.463 176.600 0.081 0.000 0.982 258 E CA 1.529 57.983 56.400 0.091 0.000 0.809 258 E CB -0.817 28.925 29.700 0.070 0.000 0.756 258 E HN 0.693 nan 8.360 nan 0.000 0.459 259 S N 1.000 116.739 115.700 0.066 0.000 2.402 259 S HA -0.087 4.891 4.470 0.847 0.000 0.229 259 S C 2.151 176.786 174.600 0.059 0.000 1.021 259 S CA 0.852 59.085 58.200 0.055 0.000 0.974 259 S CB -0.426 62.803 63.200 0.047 0.000 0.800 259 S HN 0.166 nan 8.310 nan 0.000 0.484 260 V N 2.134 122.095 119.914 0.077 0.000 2.427 260 V HA -0.111 4.517 4.120 0.847 0.000 0.248 260 V C 2.693 178.824 176.094 0.062 0.000 1.051 260 V CA 1.971 64.323 62.300 0.086 0.000 1.048 260 V CB -0.784 31.112 31.823 0.122 0.000 0.666 260 V HN 0.551 nan 8.190 nan 0.000 0.456 261 E N 0.317 120.578 120.200 0.100 0.000 2.110 261 E HA -0.177 4.681 4.350 0.847 0.000 0.193 261 E C 2.333 178.986 176.600 0.089 0.000 0.988 261 E CA 1.253 57.740 56.400 0.146 0.000 0.804 261 E CB -0.300 29.555 29.700 0.259 0.000 0.745 261 E HN 0.606 nan 8.360 nan 0.000 0.458 262 A N 1.387 124.244 122.820 0.061 0.000 1.933 262 A HA -0.093 4.735 4.320 0.847 0.000 0.218 262 A C 2.365 179.937 177.584 -0.020 0.000 1.175 262 A CA 1.586 53.641 52.037 0.031 0.000 0.628 262 A CB -0.528 18.490 19.000 0.030 0.000 0.814 262 A HN 0.291 nan 8.150 nan 0.000 0.444 263 A N -0.772 122.023 122.820 -0.041 0.000 1.969 263 A HA 0.104 4.932 4.320 0.847 0.000 0.218 263 A C 1.226 178.675 177.584 -0.225 0.000 1.169 263 A CA 0.773 52.753 52.037 -0.095 0.000 0.635 263 A CB -0.448 18.521 19.000 -0.052 0.000 0.810 263 A HN 0.424 nan 8.150 nan 0.000 0.445 264 M N 1.587 120.991 119.600 -0.326 0.000 2.327 264 M HA 0.174 5.162 4.480 0.847 0.000 0.353 264 M C 0.307 176.187 176.300 -0.699 0.000 1.539 264 M CA 0.575 55.440 55.300 -0.725 0.000 1.039 264 M CB -0.804 31.198 32.600 -0.997 0.000 1.967 264 M HN 0.560 nan 8.290 nan 0.000 0.459 265 S N 1.011 116.351 115.700 -0.601 0.000 2.672 265 S HA 0.360 5.338 4.470 0.847 0.000 0.271 265 S C 0.536 175.146 174.600 0.016 0.000 1.171 265 S CA -0.345 57.796 58.200 -0.098 0.000 0.817 265 S CB 1.381 64.541 63.200 -0.066 0.000 1.150 265 S HN 0.539 nan 8.310 nan 0.000 0.478 266 S N 0.365 116.147 115.700 0.138 0.000 2.383 266 S HA -0.134 4.844 4.470 0.847 0.000 0.229 266 S C 1.695 176.274 174.600 -0.035 0.000 1.030 266 S CA 1.895 60.140 58.200 0.075 0.000 1.002 266 S CB -0.714 62.518 63.200 0.053 0.000 0.829 266 S HN 0.684 nan 8.310 nan 0.000 0.467 267 K N -0.191 120.170 120.400 -0.065 0.000 2.147 267 K HA -0.092 4.737 4.320 0.847 0.000 0.205 267 K C 1.885 178.373 176.600 -0.188 0.000 1.049 267 K CA 1.653 57.882 56.287 -0.097 0.000 0.936 267 K CB -0.335 32.118 32.500 -0.078 0.000 0.722 267 K HN 0.353 nan 8.250 nan 0.000 0.446 268 T N 1.658 116.028 114.554 -0.307 0.000 2.812 268 T HA -0.031 4.827 4.350 0.847 0.000 0.264 268 T C 1.781 176.036 174.700 -0.742 0.000 1.042 268 T CA 0.957 62.703 62.100 -0.590 0.000 1.140 268 T CB -0.042 68.362 68.868 -0.773 0.000 0.870 268 T HN 0.146 nan 8.240 nan 0.000 0.445 269 L N 0.619 121.563 121.223 -0.466 0.000 2.046 269 L HA -0.130 4.718 4.340 0.847 0.000 0.208 269 L C 2.613 179.431 176.870 -0.086 0.000 1.077 269 L CA 1.498 56.204 54.840 -0.224 0.000 0.747 269 L CB -0.542 41.504 42.059 -0.021 0.000 0.896 269 L HN 0.237 nan 8.230 nan 0.000 0.432 270 K N 0.233 120.582 120.400 -0.084 0.000 2.063 270 K HA -0.249 4.580 4.320 0.847 0.000 0.208 270 K C 2.145 178.738 176.600 -0.012 0.000 1.048 270 K CA 1.511 57.779 56.287 -0.032 0.000 0.928 270 K CB -0.174 32.305 32.500 -0.034 0.000 0.713 270 K HN 0.199 nan 8.250 nan 0.000 0.442 271 K N 0.262 120.624 120.400 -0.062 0.000 1.991 271 K HA -0.194 4.634 4.320 0.847 0.000 0.212 271 K C 1.875 178.572 176.600 0.163 0.000 1.049 271 K CA 1.725 58.014 56.287 0.002 0.000 0.932 271 K CB -0.101 32.351 32.500 -0.081 0.000 0.717 271 K HN 0.173 nan 8.250 nan 0.000 0.441 272 W N 1.429 122.735 121.300 0.009 0.000 2.338 272 W HA -0.121 5.050 4.660 0.853 0.000 0.304 272 W C 2.031 178.554 176.519 0.007 0.000 1.212 272 W CA 1.135 58.489 57.345 0.015 0.000 1.264 272 W CB -1.562 27.911 29.460 0.022 0.000 1.142 272 W HN 0.362 nan 8.180 nan 0.000 0.512 273 N N 0.598 119.425 118.700 0.212 0.000 2.137 273 N HA -0.220 5.028 4.740 0.847 0.000 0.190 273 N C 1.922 177.472 175.510 0.066 0.000 1.017 273 N CA 1.878 54.984 53.050 0.095 0.000 0.859 273 N CB -0.357 38.160 38.487 0.050 0.000 1.002 273 N HN 0.073 nan 8.380 nan 0.000 0.428 274 R N -0.963 119.585 120.500 0.080 0.000 2.153 274 R HA 0.049 4.897 4.340 0.847 0.000 0.218 274 R C 0.851 177.196 176.300 0.075 0.000 1.072 274 R CA 0.804 56.942 56.100 0.063 0.000 0.990 274 R CB 0.065 30.398 30.300 0.055 0.000 0.889 274 R HN 0.218 nan 8.270 nan 0.000 0.452 275 L N 0.192 121.479 121.223 0.106 0.000 2.609 275 L HA 0.234 5.083 4.340 0.847 0.000 0.230 275 L C 0.112 177.023 176.870 0.069 0.000 1.087 275 L CA 0.313 55.208 54.840 0.092 0.000 0.874 275 L CB 0.164 42.295 42.059 0.120 0.000 1.114 275 L HN 0.034 nan 8.230 nan 0.000 0.488 276 L N 0.761 122.036 121.223 0.088 0.000 2.540 276 L HA -0.014 4.834 4.340 0.847 0.000 0.276 276 L C 0.197 177.161 176.870 0.156 0.000 1.212 276 L CA 0.703 55.601 54.840 0.097 0.000 0.893 276 L CB 0.044 42.182 42.059 0.132 0.000 1.138 276 L HN 0.254 nan 8.230 nan 0.000 0.491 277 Q N 3.374 123.167 119.800 -0.012 0.000 2.387 277 Q HA 0.416 5.264 4.340 0.847 0.000 0.273 277 Q C -0.847 174.931 176.000 -0.370 0.000 1.089 277 Q CA -0.991 54.735 55.803 -0.129 0.000 0.824 277 Q CB 2.993 31.616 28.738 -0.192 0.000 1.367 277 Q HN 0.387 nan 8.270 nan 0.000 0.443 278 K N 0.527 120.607 120.400 -0.533 0.000 2.156 278 K HA 0.689 5.517 4.320 0.847 0.000 0.271 278 K C -0.736 175.657 176.600 -0.344 0.000 0.995 278 K CA -0.202 55.682 56.287 -0.671 0.000 0.890 278 K CB 1.051 32.971 32.500 -0.967 0.000 1.073 278 K HN 0.814 nan 8.250 nan 0.000 0.454 279 G N 2.681 111.346 108.800 -0.225 0.000 2.623 279 G HA2 0.277 4.745 3.960 0.847 0.000 0.290 279 G HA3 0.277 4.745 3.960 0.847 0.000 0.290 279 G C -2.065 172.748 174.900 -0.146 0.000 1.437 279 G CA -1.014 44.031 45.100 -0.091 0.000 0.798 279 G HN 0.585 nan 8.290 nan 0.000 0.488 280 W N 0.757 122.026 121.300 -0.052 0.000 2.419 280 W HA 0.487 5.654 4.660 0.846 0.000 0.312 280 W C 0.027 176.433 176.519 -0.189 0.000 1.323 280 W CA -0.140 57.101 57.345 -0.172 0.000 1.293 280 W CB 1.316 30.638 29.460 -0.230 0.000 1.324 280 W HN 0.201 nan 8.180 nan 0.000 0.512 281 V N 4.077 124.007 119.914 0.027 0.000 2.588 281 V HA 0.120 4.748 4.120 0.847 0.000 0.304 281 V C -0.203 175.873 176.094 -0.029 0.000 1.042 281 V CA -1.142 61.148 62.300 -0.017 0.000 0.877 281 V CB 1.907 33.695 31.823 -0.058 0.000 0.996 281 V HN 0.272 nan 8.190 nan 0.000 0.425 282 D N 3.716 124.106 120.400 -0.015 0.000 2.348 282 D HA 0.219 5.368 4.640 0.847 0.000 0.259 282 D C -0.483 175.776 176.300 -0.068 0.000 1.296 282 D CA 0.094 54.091 54.000 -0.005 0.000 0.931 282 D CB 1.220 42.094 40.800 0.123 0.000 1.067 282 D HN 0.259 nan 8.370 nan 0.000 0.503 283 L N 4.109 125.207 121.223 -0.208 0.000 2.309 283 L HA 0.464 5.312 4.340 0.847 0.000 0.282 283 L C -1.296 175.323 176.870 -0.417 0.000 1.036 283 L CA -0.366 54.304 54.840 -0.283 0.000 0.806 283 L CB 0.861 42.643 42.059 -0.462 0.000 1.220 283 L HN 0.077 nan 8.230 nan 0.000 0.429 284 F N 4.898 124.763 119.950 -0.141 0.000 2.496 284 F HA 0.571 5.589 4.527 0.818 0.000 0.341 284 F C -0.525 175.117 175.800 -0.263 0.000 1.134 284 F CA -0.710 57.206 58.000 -0.140 0.000 0.968 284 F CB 1.872 40.798 39.000 -0.124 0.000 1.205 284 F HN 0.100 nan 8.300 nan 0.000 0.436 285 V N 4.710 124.499 119.914 -0.208 0.000 2.540 285 V HA 0.479 5.108 4.120 0.847 0.000 0.302 285 V C -2.245 173.722 176.094 -0.211 0.000 1.035 285 V CA -2.298 59.787 62.300 -0.359 0.000 0.873 285 V CB 2.005 33.462 31.823 -0.610 0.000 0.992 285 V HN 0.411 nan 8.190 nan 0.000 0.428 286 P HA 0.081 nan 4.420 nan 0.000 0.268 286 P C -0.791 176.606 177.300 0.162 0.000 1.204 286 P CA -0.153 62.972 63.100 0.042 0.000 0.768 286 P CB 0.834 32.531 31.700 -0.005 0.000 0.842 287 K N 4.699 125.154 120.400 0.092 0.000 2.262 287 K HA 0.421 5.249 4.320 0.847 0.000 0.282 287 K C -0.769 175.952 176.600 0.201 0.000 1.066 287 K CA -0.458 55.871 56.287 0.070 0.000 0.901 287 K CB -0.051 32.454 32.500 0.009 0.000 1.089 287 K HN 0.527 nan 8.250 nan 0.000 0.476 288 F N -0.562 119.323 119.950 -0.108 0.000 2.741 288 F HA 0.429 5.463 4.527 0.846 0.000 0.311 288 F C -1.673 174.108 175.800 -0.032 0.000 1.149 288 F CA -1.008 56.962 58.000 -0.051 0.000 0.930 288 F CB 1.074 40.027 39.000 -0.078 0.000 1.312 288 F HN 0.178 nan 8.300 nan 0.000 0.450 289 S N 2.420 118.149 115.700 0.049 0.000 2.503 289 S HA 0.754 5.732 4.470 0.847 0.000 0.301 289 S C -1.132 173.475 174.600 0.011 0.000 1.087 289 S CA -0.656 57.517 58.200 -0.045 0.000 1.042 289 S CB 1.780 65.037 63.200 0.095 0.000 1.043 289 S HN 0.818 nan 8.310 nan 0.000 0.489 290 I N 2.581 123.049 120.570 -0.170 0.000 2.545 290 I HA 0.674 5.352 4.170 0.847 0.000 0.292 290 I C -0.835 175.174 176.117 -0.181 0.000 1.040 290 I CA -0.130 61.060 61.300 -0.182 0.000 1.068 290 I CB 1.647 39.428 38.000 -0.366 0.000 1.251 290 I HN 0.806 nan 8.210 nan 0.000 0.424 291 S N 5.791 121.474 115.700 -0.028 0.000 2.541 291 S HA 0.954 5.932 4.470 0.847 0.000 0.271 291 S C -1.175 173.483 174.600 0.096 0.000 1.133 291 S CA -0.497 57.760 58.200 0.095 0.000 0.876 291 S CB 1.954 65.192 63.200 0.063 0.000 1.105 291 S HN 1.028 nan 8.310 nan 0.000 0.470 292 A N 1.154 124.055 122.820 0.135 0.000 2.549 292 A HA 0.872 5.700 4.320 0.847 0.000 0.297 292 A C -0.460 176.995 177.584 -0.216 0.000 1.061 292 A CA -0.553 51.444 52.037 -0.067 0.000 0.690 292 A CB 1.705 20.703 19.000 -0.004 0.000 1.287 292 A HN 1.335 nan 8.150 nan 0.000 0.402 293 T N 0.652 114.934 114.554 -0.454 0.000 2.841 293 T HA 0.731 5.589 4.350 0.847 0.000 0.283 293 T C -1.617 172.716 174.700 -0.613 0.000 1.000 293 T CA -0.213 61.666 62.100 -0.368 0.000 0.977 293 T CB 0.419 69.189 68.868 -0.163 0.000 0.979 293 T HN 0.461 nan 8.240 nan 0.000 0.446 294 Y N 2.137 122.426 120.300 -0.018 0.000 2.477 294 Y HA 0.442 5.500 4.550 0.846 0.000 0.347 294 Y C -0.181 175.770 175.900 0.085 0.000 0.981 294 Y CA -1.187 56.919 58.100 0.010 0.000 1.033 294 Y CB 1.865 40.320 38.460 -0.007 0.000 1.245 294 Y HN 0.681 nan 8.280 nan 0.000 0.455 295 D N 2.565 123.103 120.400 0.231 0.000 2.359 295 D HA 0.277 5.425 4.640 0.847 0.000 0.230 295 D C 0.217 176.659 176.300 0.237 0.000 1.118 295 D CA -0.113 54.006 54.000 0.199 0.000 0.844 295 D CB 0.927 41.796 40.800 0.115 0.000 1.059 295 D HN 0.611 nan 8.370 nan 0.000 0.493 296 L N 3.392 124.768 121.223 0.254 0.000 2.478 296 L HA 0.139 4.987 4.340 0.847 0.000 0.223 296 L C 2.381 179.345 176.870 0.158 0.000 1.140 296 L CA 0.523 55.505 54.840 0.236 0.000 0.842 296 L CB -0.197 42.007 42.059 0.242 0.000 0.953 296 L HN 0.668 nan 8.230 nan 0.000 0.452 297 G N 0.406 109.269 108.800 0.104 0.000 2.491 297 G HA2 -0.356 4.112 3.960 0.847 0.000 0.218 297 G HA3 -0.356 4.112 3.960 0.847 0.000 0.218 297 G C 1.776 176.571 174.900 -0.175 0.000 1.180 297 G CA 0.963 45.976 45.100 -0.146 0.000 0.774 297 G HN 0.469 nan 8.290 nan 0.000 0.562 298 A N 0.387 123.159 122.820 -0.080 0.000 1.940 298 A HA -0.051 4.778 4.320 0.847 0.000 0.219 298 A C 2.643 180.197 177.584 -0.051 0.000 1.176 298 A CA 2.987 54.985 52.037 -0.065 0.000 0.631 298 A CB -0.944 18.050 19.000 -0.010 0.000 0.814 298 A HN 0.600 nan 8.150 nan 0.000 0.446 299 T N -2.362 112.172 114.554 -0.034 0.000 2.976 299 T HA 0.127 4.985 4.350 0.847 0.000 0.257 299 T C 1.839 176.493 174.700 -0.076 0.000 1.051 299 T CA 0.960 63.003 62.100 -0.096 0.000 1.141 299 T CB -0.457 68.271 68.868 -0.233 0.000 0.881 299 T HN 0.250 nan 8.240 nan 0.000 0.461 300 L N 0.339 121.557 121.223 -0.008 0.000 2.093 300 L HA 0.124 4.972 4.340 0.847 0.000 0.208 300 L C 2.679 179.596 176.870 0.078 0.000 1.085 300 L CA 0.877 55.761 54.840 0.073 0.000 0.755 300 L CB -0.598 41.572 42.059 0.186 0.000 0.904 300 L HN 0.229 nan 8.230 nan 0.000 0.435 301 L N -0.078 121.164 121.223 0.032 0.000 2.042 301 L HA -0.259 4.589 4.340 0.847 0.000 0.210 301 L C 2.615 179.480 176.870 -0.009 0.000 1.076 301 L CA 1.631 56.474 54.840 0.004 0.000 0.749 301 L CB -0.136 41.864 42.059 -0.099 0.000 0.893 301 L HN 0.169 nan 8.230 nan 0.000 0.432 302 K N -1.047 119.336 120.400 -0.028 0.000 2.155 302 K HA -0.084 4.744 4.320 0.847 0.000 0.203 302 K C 1.891 178.478 176.600 -0.022 0.000 1.052 302 K CA 1.184 57.451 56.287 -0.033 0.000 0.948 302 K CB -0.011 32.459 32.500 -0.050 0.000 0.728 302 K HN 0.339 nan 8.250 nan 0.000 0.448 303 M N -0.953 118.639 119.600 -0.013 0.000 2.561 303 M HA 0.035 5.023 4.480 0.847 0.000 0.238 303 M C 0.859 177.182 176.300 0.039 0.000 1.131 303 M CA 0.683 55.987 55.300 0.006 0.000 1.046 303 M CB 0.944 33.547 32.600 0.005 0.000 1.532 303 M HN 0.476 nan 8.290 nan 0.000 0.497 304 G N 0.652 109.475 108.800 0.037 0.000 2.705 304 G HA2 -0.134 4.334 3.960 0.847 0.000 0.193 304 G HA3 -0.134 4.334 3.960 0.847 0.000 0.193 304 G C 0.182 175.112 174.900 0.049 0.000 1.015 304 G CA -0.727 44.397 45.100 0.039 0.000 0.743 304 G HN 0.324 nan 8.290 nan 0.000 0.476 305 I N 3.025 123.644 120.570 0.081 0.000 2.453 305 I HA 0.138 4.816 4.170 0.847 0.000 0.300 305 I C 1.546 177.745 176.117 0.138 0.000 1.159 305 I CA 0.138 61.502 61.300 0.106 0.000 1.379 305 I CB 0.744 38.828 38.000 0.140 0.000 1.460 305 I HN 0.199 nan 8.210 nan 0.000 0.601 306 Q N 2.901 122.735 119.800 0.057 0.000 2.389 306 Q HA -0.005 4.844 4.340 0.847 0.000 0.198 306 Q C 1.751 177.757 176.000 0.009 0.000 0.967 306 Q CA 1.017 56.818 55.803 -0.004 0.000 0.863 306 Q CB -0.158 28.471 28.738 -0.181 0.000 0.987 306 Q HN 0.691 nan 8.270 nan 0.000 0.557 307 H N 1.302 120.389 119.070 0.029 0.000 2.489 307 H HA -0.052 5.012 4.556 0.847 0.000 0.295 307 H C 1.910 177.226 175.328 -0.020 0.000 1.082 307 H CA 1.123 57.165 56.048 -0.009 0.000 1.295 307 H CB 0.140 29.863 29.762 -0.065 0.000 1.380 307 H HN 0.353 nan 8.280 nan 0.000 0.548 308 A N 0.141 123.002 122.820 0.069 0.000 1.898 308 A HA -0.183 4.646 4.320 0.847 0.000 0.216 308 A C 1.586 179.189 177.584 0.030 0.000 1.181 308 A CA 1.252 53.302 52.037 0.021 0.000 0.620 308 A CB -0.681 18.274 19.000 -0.074 0.000 0.819 308 A HN 0.486 nan 8.150 nan 0.000 0.442 309 Y N 0.108 120.480 120.300 0.119 0.000 2.544 309 Y HA 0.111 5.169 4.550 0.847 0.000 0.286 309 Y C 1.756 177.697 175.900 0.068 0.000 1.141 309 Y CA 0.582 58.733 58.100 0.085 0.000 1.299 309 Y CB 0.094 38.583 38.460 0.049 0.000 1.030 309 Y HN 0.282 nan 8.280 nan 0.000 0.543 310 S N 0.911 116.728 115.700 0.195 0.000 2.603 310 S HA -0.026 4.952 4.470 0.847 0.000 0.268 310 S C 1.476 176.149 174.600 0.121 0.000 1.317 310 S CA -0.555 57.725 58.200 0.133 0.000 1.012 310 S CB 0.697 63.959 63.200 0.104 0.000 0.926 310 S HN 0.495 nan 8.310 nan 0.000 0.539 311 E N 2.635 122.890 120.200 0.093 0.000 2.401 311 E HA -0.186 4.672 4.350 0.847 0.000 0.199 311 E C 0.264 176.911 176.600 0.078 0.000 1.023 311 E CA 1.214 57.661 56.400 0.079 0.000 0.859 311 E CB -0.793 28.941 29.700 0.058 0.000 0.780 311 E HN 0.782 nan 8.360 nan 0.000 0.523 312 N N 1.127 119.885 118.700 0.097 0.000 2.295 312 N HA 0.259 5.507 4.740 0.847 0.000 0.221 312 N C -0.204 175.347 175.510 0.069 0.000 1.129 312 N CA 0.182 53.285 53.050 0.088 0.000 0.836 312 N CB 0.913 39.479 38.487 0.132 0.000 1.040 312 N HN 0.197 nan 8.380 nan 0.000 0.494 313 A N 0.768 123.635 122.820 0.080 0.000 2.477 313 A HA 0.087 4.915 4.320 0.847 0.000 0.246 313 A C -0.144 177.415 177.584 -0.042 0.000 1.078 313 A CA 0.124 52.184 52.037 0.038 0.000 0.770 313 A CB 0.283 19.393 19.000 0.184 0.000 1.011 313 A HN 0.154 nan 8.150 nan 0.000 0.494 314 D N 2.025 122.288 120.400 -0.228 0.000 2.472 314 D HA 0.420 5.568 4.640 0.847 0.000 0.234 314 D C -1.184 174.868 176.300 -0.415 0.000 1.088 314 D CA -0.066 53.791 54.000 -0.240 0.000 0.882 314 D CB 0.070 40.724 40.800 -0.243 0.000 1.037 314 D HN 0.348 nan 8.370 nan 0.000 0.520 315 F N 1.671 121.552 119.950 -0.116 0.000 2.928 315 F HA 0.126 5.161 4.527 0.847 0.000 0.337 315 F C 1.898 177.596 175.800 -0.170 0.000 1.259 315 F CA -0.320 57.587 58.000 -0.154 0.000 1.267 315 F CB 0.691 39.590 39.000 -0.168 0.000 0.986 315 F HN 0.187 nan 8.300 nan 0.000 0.507 316 S N -0.050 115.628 115.700 -0.037 0.000 2.419 316 S HA -0.160 4.818 4.470 0.847 0.000 0.233 316 S C 2.420 176.976 174.600 -0.074 0.000 1.016 316 S CA 1.271 59.438 58.200 -0.056 0.000 0.974 316 S CB -0.336 62.821 63.200 -0.072 0.000 0.786 316 S HN 0.643 nan 8.310 nan 0.000 0.492 317 G N 0.678 109.422 108.800 -0.093 0.000 2.509 317 G HA2 -0.010 4.458 3.960 0.847 0.000 0.218 317 G HA3 -0.010 4.458 3.960 0.847 0.000 0.218 317 G C 1.237 176.072 174.900 -0.109 0.000 1.124 317 G CA 0.221 45.263 45.100 -0.097 0.000 0.776 317 G HN 0.454 nan 8.290 nan 0.000 0.547 318 L N -1.372 119.711 121.223 -0.233 0.000 2.286 318 L HA 0.349 5.197 4.340 0.847 0.000 0.203 318 L C 0.848 177.516 176.870 -0.337 0.000 1.068 318 L CA 0.836 55.319 54.840 -0.594 0.000 0.811 318 L CB 0.886 42.493 42.059 -0.752 0.000 0.989 318 L HN 0.172 nan 8.230 nan 0.000 0.467 319 T N -2.049 112.394 114.554 -0.185 0.000 2.916 319 T HA 0.180 5.038 4.350 0.847 0.000 0.305 319 T C 0.323 174.983 174.700 -0.067 0.000 1.119 319 T CA -0.606 61.423 62.100 -0.118 0.000 1.008 319 T CB 1.543 70.332 68.868 -0.131 0.000 1.129 319 T HN 0.010 nan 8.240 nan 0.000 0.480 320 E N 1.711 121.883 120.200 -0.047 0.000 2.051 320 E HA 0.035 4.893 4.350 0.847 0.000 0.189 320 E C 0.350 176.935 176.600 -0.025 0.000 0.979 320 E CA 1.063 57.444 56.400 -0.030 0.000 0.803 320 E CB -0.027 29.661 29.700 -0.020 0.000 0.761 320 E HN 0.841 nan 8.360 nan 0.000 0.451 321 D N 0.643 121.026 120.400 -0.027 0.000 2.411 321 D HA 0.127 5.275 4.640 0.847 0.000 0.251 321 D C 0.153 176.445 176.300 -0.012 0.000 1.201 321 D CA -0.532 53.459 54.000 -0.014 0.000 0.996 321 D CB 0.390 41.186 40.800 -0.007 0.000 1.101 321 D HN -0.240 nan 8.370 nan 0.000 0.504 322 N N -1.224 117.482 118.700 0.009 0.000 2.459 322 N HA 0.516 5.764 4.740 0.847 0.000 0.288 322 N C 0.904 176.438 175.510 0.040 0.000 1.186 322 N CA -0.239 52.823 53.050 0.020 0.000 0.917 322 N CB 1.459 39.960 38.487 0.023 0.000 1.219 322 N HN 0.859 nan 8.380 nan 0.000 0.525 323 G N -0.844 107.984 108.800 0.046 0.000 2.179 323 G HA2 -0.227 4.241 3.960 0.847 0.000 0.220 323 G HA3 -0.227 4.241 3.960 0.847 0.000 0.220 323 G C -0.306 174.630 174.900 0.061 0.000 0.990 323 G CA -0.122 45.019 45.100 0.068 0.000 0.646 323 G HN 0.484 nan 8.290 nan 0.000 0.517 324 L N 1.403 122.643 121.223 0.028 0.000 2.397 324 L HA 0.789 5.637 4.340 0.847 0.000 0.271 324 L C 0.310 177.203 176.870 0.039 0.000 1.148 324 L CA 0.138 54.968 54.840 -0.015 0.000 0.825 324 L CB 0.662 42.665 42.059 -0.094 0.000 1.117 324 L HN 0.567 nan 8.230 nan 0.000 0.456 325 K N 3.332 123.719 120.400 -0.023 0.000 2.615 325 K HA 0.492 5.320 4.320 0.847 0.000 0.291 325 K C -1.680 174.860 176.600 -0.100 0.000 1.017 325 K CA -1.070 55.241 56.287 0.040 0.000 0.882 325 K CB 0.765 33.335 32.500 0.117 0.000 1.522 325 K HN 0.396 nan 8.250 nan 0.000 0.412 326 L N 1.960 123.130 121.223 -0.088 0.000 2.313 326 L HA 0.281 5.129 4.340 0.847 0.000 0.282 326 L C 0.353 177.219 176.870 -0.007 0.000 1.092 326 L CA 0.644 55.376 54.840 -0.179 0.000 0.831 326 L CB 1.092 42.932 42.059 -0.365 0.000 1.159 326 L HN 0.848 nan 8.230 nan 0.000 0.442 327 S N 3.352 119.065 115.700 0.021 0.000 2.339 327 S HA 0.243 5.221 4.470 0.847 0.000 0.213 327 S C 0.275 174.998 174.600 0.206 0.000 1.033 327 S CA 0.446 58.698 58.200 0.087 0.000 0.950 327 S CB 0.036 63.199 63.200 -0.063 0.000 0.893 327 S HN 0.738 nan 8.310 nan 0.000 0.492 328 N N 0.322 119.109 118.700 0.144 0.000 2.225 328 N HA 0.585 5.833 4.740 0.847 0.000 0.298 328 N C -1.487 174.147 175.510 0.206 0.000 1.076 328 N CA -0.308 52.860 53.050 0.197 0.000 0.792 328 N CB 2.020 40.566 38.487 0.099 0.000 1.498 328 N HN 0.260 nan 8.380 nan 0.000 0.474 329 A N 0.862 123.842 122.820 0.266 0.000 2.267 329 A HA 0.776 5.605 4.320 0.847 0.000 0.315 329 A C -0.582 177.148 177.584 0.243 0.000 1.297 329 A CA -0.600 51.580 52.037 0.239 0.000 0.865 329 A CB 0.350 19.504 19.000 0.258 0.000 1.165 329 A HN 0.662 nan 8.150 nan 0.000 0.513 330 A N 2.552 125.518 122.820 0.243 0.000 2.355 330 A HA 0.787 5.615 4.320 0.847 0.000 0.317 330 A C -0.797 176.989 177.584 0.337 0.000 1.094 330 A CA -0.439 51.749 52.037 0.251 0.000 0.764 330 A CB 0.836 19.945 19.000 0.181 0.000 1.230 330 A HN 1.344 nan 8.150 nan 0.000 0.448 331 H N 0.793 120.005 119.070 0.236 0.000 2.974 331 H HA 0.684 5.748 4.556 0.847 0.000 0.366 331 H C -1.219 174.275 175.328 0.277 0.000 1.155 331 H CA -0.446 55.763 56.048 0.268 0.000 1.186 331 H CB 1.460 31.391 29.762 0.280 0.000 1.799 331 H HN 0.663 nan 8.280 nan 0.000 0.541 332 K N 3.798 123.986 120.400 -0.353 0.000 2.513 332 K HA 0.785 5.613 4.320 0.847 0.000 0.251 332 K C -1.830 174.633 176.600 -0.228 0.000 0.939 332 K CA -0.789 55.337 56.287 -0.268 0.000 0.793 332 K CB 1.659 34.135 32.500 -0.040 0.000 1.241 332 K HN 0.675 nan 8.250 nan 0.000 0.431 333 A N 3.130 125.925 122.820 -0.041 0.000 2.342 333 A HA 0.690 5.518 4.320 0.847 0.000 0.323 333 A C -1.234 176.604 177.584 0.422 0.000 1.125 333 A CA -0.655 51.548 52.037 0.276 0.000 0.785 333 A CB 1.432 20.618 19.000 0.310 0.000 1.221 333 A HN 0.381 nan 8.150 nan 0.000 0.463 334 V N 2.835 122.990 119.914 0.402 0.000 2.577 334 V HA 0.656 5.284 4.120 0.847 0.000 0.303 334 V C -0.998 175.212 176.094 0.194 0.000 1.042 334 V CA -0.469 61.994 62.300 0.272 0.000 0.872 334 V CB 1.383 33.300 31.823 0.158 0.000 0.998 334 V HN 0.874 nan 8.190 nan 0.000 0.423 335 L N 3.724 124.964 121.223 0.029 0.000 2.455 335 L HA 0.671 5.519 4.340 0.847 0.000 0.264 335 L C -0.995 175.765 176.870 -0.183 0.000 0.968 335 L CA -0.318 54.448 54.840 -0.122 0.000 0.827 335 L CB 2.072 43.971 42.059 -0.266 0.000 1.317 335 L HN 0.818 nan 8.230 nan 0.000 0.407 336 H N 4.835 123.783 119.070 -0.204 0.000 2.467 336 H HA 0.670 5.735 4.556 0.848 0.000 0.331 336 H C -1.048 174.144 175.328 -0.226 0.000 1.120 336 H CA -0.525 55.380 56.048 -0.238 0.000 1.270 336 H CB 1.075 30.756 29.762 -0.136 0.000 1.466 336 H HN 0.485 nan 8.280 nan 0.000 0.504 337 I N 5.415 125.437 120.570 -0.914 0.000 2.390 337 I HA 0.381 5.059 4.170 0.847 0.000 0.283 337 I C 0.750 176.456 176.117 -0.685 0.000 1.016 337 I CA -0.032 60.953 61.300 -0.526 0.000 1.151 337 I CB 0.607 38.357 38.000 -0.416 0.000 1.293 337 I HN 0.754 nan 8.210 nan 0.000 0.458 338 G N 4.352 112.992 108.800 -0.266 0.000 3.140 338 G HA2 0.494 4.962 3.960 0.847 0.000 0.271 338 G HA3 0.494 4.962 3.960 0.847 0.000 0.271 338 G C 0.247 175.335 174.900 0.313 0.000 1.370 338 G CA -0.157 44.946 45.100 0.005 0.000 1.014 338 G HN 0.439 nan 8.290 nan 0.000 0.541 339 E N -0.300 120.062 120.200 0.269 0.000 2.106 339 E HA -0.020 4.838 4.350 0.847 0.000 0.192 339 E C 2.260 179.175 176.600 0.524 0.000 0.984 339 E CA 1.134 57.763 56.400 0.383 0.000 0.806 339 E CB 0.113 29.962 29.700 0.248 0.000 0.750 339 E HN 0.452 nan 8.360 nan 0.000 0.458 340 K N -1.005 119.589 120.400 0.323 0.000 2.116 340 K HA 0.116 4.944 4.320 0.847 0.000 0.203 340 K C 1.089 177.727 176.600 0.065 0.000 1.052 340 K CA 0.873 57.285 56.287 0.208 0.000 0.952 340 K CB 0.413 32.975 32.500 0.102 0.000 0.729 340 K HN 0.218 nan 8.250 nan 0.000 0.446 341 G N 0.060 108.767 108.800 -0.154 0.000 2.272 341 G HA2 -0.190 4.278 3.960 0.847 0.000 0.068 341 G HA3 -0.190 4.278 3.960 0.847 0.000 0.068 341 G C -0.248 174.412 174.900 -0.400 0.000 1.073 341 G CA -0.071 44.525 45.100 -0.840 0.000 1.154 341 G HN 0.091 nan 8.290 nan 0.000 0.429 342 T N -0.626 113.750 114.554 -0.297 0.000 3.240 342 T HA 0.624 5.482 4.350 0.847 0.000 0.248 342 T C -0.045 174.613 174.700 -0.070 0.000 0.929 342 T CA 0.575 62.572 62.100 -0.172 0.000 0.939 342 T CB 0.862 69.514 68.868 -0.360 0.000 1.114 342 T HN 0.477 nan 8.240 nan 0.000 0.558 343 E N 0.765 120.978 120.200 0.021 0.000 2.393 343 E HA 0.703 5.561 4.350 0.847 0.000 0.273 343 E C -0.660 175.935 176.600 -0.009 0.000 0.918 343 E CA -0.764 55.629 56.400 -0.011 0.000 0.773 343 E CB 1.879 31.553 29.700 -0.044 0.000 1.275 343 E HN 0.370 nan 8.360 nan 0.000 0.451 344 A N 1.622 124.386 122.820 -0.094 0.000 2.584 344 A HA 0.353 5.181 4.320 0.847 0.000 0.239 344 A C 0.774 178.329 177.584 -0.048 0.000 1.043 344 A CA 1.037 52.991 52.037 -0.138 0.000 0.756 344 A CB -0.133 18.808 19.000 -0.099 0.000 0.963 344 A HN 0.696 nan 8.150 nan 0.000 0.511 345 A N 3.501 126.298 122.820 -0.038 0.000 1.903 345 A HA 0.463 5.291 4.320 0.847 0.000 0.217 345 A C 1.928 179.524 177.584 0.020 0.000 1.387 345 A CA 1.602 53.664 52.037 0.042 0.000 0.604 345 A CB -1.210 17.847 19.000 0.094 0.000 1.043 345 A HN 2.735 nan 8.150 nan 0.000 0.481 346 A N -2.080 120.745 122.820 0.010 0.000 2.826 346 A HA -0.093 4.735 4.320 0.847 0.000 0.274 346 A C 0.349 177.944 177.584 0.019 0.000 1.443 346 A CA 0.779 52.820 52.037 0.007 0.000 0.833 346 A CB -2.508 16.488 19.000 -0.007 0.000 1.023 346 A HN 1.070 nan 8.150 nan 0.000 0.600 347 V N 2.341 122.274 119.914 0.032 0.000 2.406 347 V HA 0.427 5.055 4.120 0.847 0.000 0.272 347 V C -0.220 175.894 176.094 0.033 0.000 1.043 347 V CA -0.701 61.620 62.300 0.036 0.000 0.915 347 V CB 0.571 32.424 31.823 0.050 0.000 0.988 347 V HN 0.626 nan 8.190 nan 0.000 0.466 348 P HA 0.296 nan 4.420 nan 0.000 0.285 348 P C -0.536 176.781 177.300 0.029 0.000 1.282 348 P CA -0.324 62.791 63.100 0.025 0.000 0.778 348 P CB 0.779 32.491 31.700 0.020 0.000 1.222 359 T N -2.364 112.174 114.554 -0.028 0.000 2.916 359 T HA 0.542 5.400 4.350 0.847 0.000 0.292 359 T C -0.267 174.386 174.700 -0.079 0.000 1.055 359 T CA -0.494 61.589 62.100 -0.028 0.000 1.009 359 T CB 1.431 70.251 68.868 -0.080 0.000 1.118 359 T HN -0.001 nan 8.240 nan 0.000 0.497 360 F N 0.028 119.979 119.950 0.001 0.000 2.682 360 F HA 0.409 4.941 4.527 0.008 0.000 0.308 360 F C 1.225 177.022 175.800 -0.005 0.000 1.093 360 F CA -0.530 57.481 58.000 0.019 0.000 1.244 360 F CB 0.492 39.498 39.000 0.010 0.000 1.052 360 F HN 0.386 nan 8.300 nan 0.000 0.573 361 L N 0.499 121.764 121.223 0.070 0.000 2.715 361 L HA 0.152 5.000 4.340 0.847 0.000 0.238 361 L C -0.333 176.463 176.870 -0.123 0.000 1.212 361 L CA 0.438 55.265 54.840 -0.023 0.000 1.017 361 L CB -1.348 40.662 42.059 -0.081 0.000 1.269 361 L HN -0.074 nan 8.230 nan 0.000 0.452 362 H N 0.673 119.784 119.070 0.069 0.000 2.459 362 H HA 0.442 5.510 4.556 0.854 0.000 0.332 362 H C -2.096 173.281 175.328 0.082 0.000 1.094 362 H CA -2.578 53.509 56.048 0.065 0.000 1.224 362 H CB 1.113 30.905 29.762 0.051 0.000 1.449 362 H HN -0.015 nan 8.280 nan 0.000 0.484 363 P HA 0.047 nan 4.420 nan 0.000 0.261 363 P C -0.050 177.303 177.300 0.087 0.000 1.183 363 P CA 0.407 63.582 63.100 0.124 0.000 0.761 363 P CB 0.621 32.374 31.700 0.089 0.000 0.785 364 I N 4.195 124.814 120.570 0.081 0.000 2.377 364 I HA 0.366 5.044 4.170 0.847 0.000 0.293 364 I C 0.573 176.702 176.117 0.020 0.000 0.987 364 I CA -0.727 60.628 61.300 0.092 0.000 1.185 364 I CB 1.245 39.333 38.000 0.146 0.000 1.341 364 I HN 0.143 nan 8.210 nan 0.000 0.455 365 I N 6.076 126.646 120.570 -0.001 0.000 2.382 365 I HA 0.293 4.971 4.170 0.847 0.000 0.285 365 I C -0.428 175.689 176.117 0.000 0.000 1.007 365 I CA -0.333 60.930 61.300 -0.062 0.000 1.142 365 I CB 1.473 39.370 38.000 -0.172 0.000 1.289 365 I HN 0.573 nan 8.210 nan 0.000 0.453 366 Q N 6.814 126.599 119.800 -0.024 0.000 2.363 366 Q HA 0.390 5.238 4.340 0.847 0.000 0.265 366 Q C -0.825 175.123 176.000 -0.087 0.000 1.032 366 Q CA -0.727 55.060 55.803 -0.027 0.000 0.746 366 Q CB 1.369 30.036 28.738 -0.118 0.000 1.237 366 Q HN 0.534 nan 8.270 nan 0.000 0.475 367 I N 4.784 125.288 120.570 -0.111 0.000 2.268 367 I HA 0.026 4.704 4.170 0.847 0.000 0.298 367 I C 0.183 176.295 176.117 -0.009 0.000 1.185 367 I CA 0.291 61.510 61.300 -0.136 0.000 1.548 367 I CB -0.656 37.133 38.000 -0.353 0.000 1.492 367 I HN 0.633 nan 8.210 nan 0.000 0.711 368 D N 3.123 123.459 120.400 -0.108 0.000 2.433 368 D HA 0.099 5.247 4.640 0.847 0.000 0.211 368 D C 0.748 176.557 176.300 -0.818 0.000 1.114 368 D CA -0.055 53.802 54.000 -0.237 0.000 0.837 368 D CB 0.523 41.217 40.800 -0.177 0.000 0.984 368 D HN 0.288 nan 8.370 nan 0.000 0.505 369 R N 0.213 120.360 120.500 -0.588 0.000 2.875 369 R HA 0.597 5.445 4.340 0.847 0.000 0.251 369 R C -0.226 175.890 176.300 -0.307 0.000 1.123 369 R CA -0.867 54.871 56.100 -0.603 0.000 1.064 369 R CB 1.181 31.346 30.300 -0.225 0.000 1.205 369 R HN 0.032 nan 8.270 nan 0.000 0.503 370 S N 1.172 116.806 115.700 -0.109 0.000 2.533 370 S HA 0.261 5.239 4.470 0.847 0.000 0.282 370 S C -0.274 174.448 174.600 0.203 0.000 1.304 370 S CA -0.487 57.793 58.200 0.133 0.000 1.063 370 S CB -0.257 62.987 63.200 0.074 0.000 0.881 370 S HN 0.443 nan 8.310 nan 0.000 0.493 371 F N -0.507 119.546 119.950 0.172 0.000 2.629 371 F HA 0.774 5.811 4.527 0.851 0.000 0.316 371 F C -0.610 175.307 175.800 0.195 0.000 1.081 371 F CA -1.737 56.366 58.000 0.172 0.000 0.954 371 F CB 1.272 40.397 39.000 0.207 0.000 1.337 371 F HN 0.366 nan 8.300 nan 0.000 0.474 372 M N 2.191 122.029 119.600 0.396 0.000 2.444 372 M HA 0.618 5.606 4.480 0.847 0.000 0.319 372 M C -1.527 175.036 176.300 0.439 0.000 1.183 372 M CA -0.997 54.482 55.300 0.299 0.000 1.032 372 M CB 1.980 34.696 32.600 0.194 0.000 1.569 372 M HN 0.710 nan 8.290 nan 0.000 0.468 373 L N 2.706 124.116 121.223 0.313 0.000 2.464 373 L HA 0.676 5.525 4.340 0.847 0.000 0.266 373 L C -2.197 174.794 176.870 0.203 0.000 0.965 373 L CA -0.352 54.645 54.840 0.262 0.000 0.833 373 L CB 1.884 44.166 42.059 0.372 0.000 1.296 373 L HN 0.565 nan 8.230 nan 0.000 0.405 374 L N 5.751 127.050 121.223 0.127 0.000 2.410 374 L HA 0.619 5.467 4.340 0.847 0.000 0.270 374 L C -1.067 175.890 176.870 0.144 0.000 0.983 374 L CA -0.169 54.755 54.840 0.140 0.000 0.822 374 L CB 1.990 44.147 42.059 0.164 0.000 1.285 374 L HN 0.448 nan 8.230 nan 0.000 0.409 375 I N 4.139 124.808 120.570 0.165 0.000 2.355 375 I HA 0.506 5.184 4.170 0.847 0.000 0.288 375 I C -0.589 175.551 176.117 0.038 0.000 0.999 375 I CA -0.011 61.393 61.300 0.173 0.000 1.163 375 I CB 1.289 39.446 38.000 0.263 0.000 1.316 375 I HN 0.341 nan 8.210 nan 0.000 0.454 376 L N 5.135 126.396 121.223 0.064 0.000 2.319 376 L HA 0.648 5.496 4.340 0.847 0.000 0.267 376 L C 0.009 176.880 176.870 0.001 0.000 1.011 376 L CA -0.754 54.092 54.840 0.009 0.000 0.818 376 L CB 1.424 43.512 42.059 0.047 0.000 1.316 376 L HN 0.434 nan 8.230 nan 0.000 0.432 377 E N 1.468 121.644 120.200 -0.040 0.000 2.158 377 E HA 0.296 5.154 4.350 0.847 0.000 0.271 377 E C 0.199 176.788 176.600 -0.019 0.000 0.911 377 E CA -0.412 55.973 56.400 -0.025 0.000 0.767 377 E CB 1.676 31.340 29.700 -0.061 0.000 1.120 377 E HN 0.515 nan 8.360 nan 0.000 0.405 378 R N 1.378 121.882 120.500 0.007 0.000 2.070 378 R HA -0.134 4.714 4.340 0.847 0.000 0.233 378 R C 2.118 178.393 176.300 -0.042 0.000 1.137 378 R CA 2.049 58.144 56.100 -0.007 0.000 0.945 378 R CB -0.147 30.163 30.300 0.016 0.000 0.845 378 R HN 0.569 nan 8.270 nan 0.000 0.430 379 S N -0.561 115.114 115.700 -0.041 0.000 2.453 379 S HA -0.079 4.899 4.470 0.847 0.000 0.231 379 S C 1.714 176.247 174.600 -0.112 0.000 1.005 379 S CA 1.371 59.534 58.200 -0.061 0.000 0.949 379 S CB 0.031 63.207 63.200 -0.039 0.000 0.774 379 S HN 0.461 nan 8.310 nan 0.000 0.510 380 T N -2.307 112.174 114.554 -0.122 0.000 3.043 380 T HA 0.396 5.254 4.350 0.847 0.000 0.272 380 T C 0.382 174.961 174.700 -0.201 0.000 0.990 380 T CA -0.447 61.542 62.100 -0.185 0.000 0.897 380 T CB -0.281 68.530 68.868 -0.096 0.000 1.111 380 T HN 0.355 nan 8.240 nan 0.000 0.529 381 R N 1.017 121.431 120.500 -0.143 0.000 3.525 381 R HA -0.118 4.730 4.340 0.847 0.000 0.276 381 R C -0.609 175.636 176.300 -0.091 0.000 1.116 381 R CA 0.484 56.518 56.100 -0.110 0.000 0.745 381 R CB -2.557 27.664 30.300 -0.132 0.000 1.185 381 R HN 0.444 nan 8.270 nan 0.000 0.454 382 S N 0.473 116.118 115.700 -0.091 0.000 2.610 382 S HA 0.470 5.448 4.470 0.847 0.000 0.273 382 S C 0.722 175.255 174.600 -0.113 0.000 1.274 382 S CA -0.620 57.523 58.200 -0.095 0.000 1.023 382 S CB 1.175 64.315 63.200 -0.100 0.000 0.962 382 S HN 0.215 nan 8.310 nan 0.000 0.523 383 I N 3.411 123.898 120.570 -0.138 0.000 2.287 383 I HA 0.146 4.824 4.170 0.847 0.000 0.290 383 I C 0.751 176.708 176.117 -0.268 0.000 1.069 383 I CA -0.160 61.035 61.300 -0.176 0.000 1.237 383 I CB 0.362 38.234 38.000 -0.212 0.000 1.418 383 I HN 0.603 nan 8.210 nan 0.000 0.481 384 L N 5.850 126.876 121.223 -0.329 0.000 2.109 384 L HA 0.063 4.912 4.340 0.847 0.000 0.207 384 L C -0.052 176.220 176.870 -0.997 0.000 1.086 384 L CA 1.455 55.921 54.840 -0.623 0.000 0.760 384 L CB -0.156 41.495 42.059 -0.679 0.000 0.910 384 L HN 0.388 nan 8.230 nan 0.000 0.437 385 F N -1.182 118.580 119.950 -0.312 0.000 2.591 385 F HA 0.576 5.612 4.527 0.847 0.000 0.309 385 F C -0.537 175.047 175.800 -0.360 0.000 1.098 385 F CA -0.894 56.852 58.000 -0.423 0.000 0.937 385 F CB 2.139 40.929 39.000 -0.350 0.000 1.250 385 F HN -0.372 nan 8.300 nan 0.000 0.447 386 L N 1.527 122.526 121.223 -0.372 0.000 2.376 386 L HA 1.050 5.898 4.340 0.847 0.000 0.258 386 L C -0.589 176.236 176.870 -0.075 0.000 1.013 386 L CA -0.201 54.487 54.840 -0.253 0.000 0.822 386 L CB 2.335 44.117 42.059 -0.461 0.000 1.388 386 L HN 0.802 nan 8.230 nan 0.000 0.413 387 G N 1.691 110.629 108.800 0.231 0.000 2.313 387 G HA2 0.262 4.730 3.960 0.847 0.000 0.296 387 G HA3 0.262 4.730 3.960 0.847 0.000 0.296 387 G C -2.201 172.956 174.900 0.429 0.000 1.356 387 G CA -0.868 44.540 45.100 0.513 0.000 0.833 387 G HN 0.625 nan 8.290 nan 0.000 0.552 388 K N -0.004 120.666 120.400 0.450 0.000 2.292 388 K HA 0.648 5.476 4.320 0.847 0.000 0.257 388 K C -0.904 175.716 176.600 0.034 0.000 0.940 388 K CA -0.664 55.772 56.287 0.247 0.000 0.811 388 K CB 2.122 34.830 32.500 0.348 0.000 1.120 388 K HN 0.306 nan 8.250 nan 0.000 0.428 389 V N 5.326 125.064 119.914 -0.293 0.000 2.311 389 V HA 0.098 4.726 4.120 0.847 0.000 0.275 389 V C 0.991 176.910 176.094 -0.291 0.000 1.022 389 V CA -0.447 61.581 62.300 -0.453 0.000 0.830 389 V CB 1.079 32.276 31.823 -1.042 0.000 1.012 389 V HN 0.684 nan 8.190 nan 0.000 0.452 390 V N 3.107 122.961 119.914 -0.099 0.000 2.426 390 V HA 0.091 4.719 4.120 0.847 0.000 0.242 390 V C 0.950 177.080 176.094 0.060 0.000 1.036 390 V CA 1.141 63.446 62.300 0.008 0.000 1.044 390 V CB -0.076 31.765 31.823 0.030 0.000 0.688 390 V HN 0.892 nan 8.190 nan 0.000 0.462 391 N N 0.317 118.996 118.700 -0.034 0.000 2.461 391 N HA 0.243 5.491 4.740 0.847 0.000 0.284 391 N C -2.693 172.682 175.510 -0.225 0.000 1.049 391 N CA -1.437 51.569 53.050 -0.075 0.000 0.889 391 N CB 2.607 41.085 38.487 -0.016 0.000 1.365 391 N HN 0.012 nan 8.380 nan 0.000 0.499 392 P HA 0.100 nan 4.420 nan 0.000 0.249 392 P C 0.245 177.444 177.300 -0.169 0.000 1.229 392 P CA 0.583 63.403 63.100 -0.467 0.000 0.788 392 P CB -0.118 31.035 31.700 -0.911 0.000 1.072 393 T N -2.616 111.858 114.554 -0.134 0.000 3.243 393 T HA 0.358 5.216 4.350 0.847 0.000 0.245 393 T C 0.115 174.801 174.700 -0.023 0.000 1.263 393 T CA -0.688 61.382 62.100 -0.051 0.000 1.228 393 T CB -0.411 68.428 68.868 -0.049 0.000 1.097 393 T HN 0.172 nan 8.240 nan 0.000 0.628 394 E N 0.000 120.195 120.200 -0.009 0.000 2.725 394 E HA 0.000 4.858 4.350 0.847 0.000 0.291 394 E CA 0.000 56.397 56.400 -0.005 0.000 0.976 394 E CB 0.000 29.700 29.700 0.000 0.000 0.812 394 E HN 0.000 nan 8.360 nan 0.000 0.440