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 2vde_1_B DATA FIRST_RESID 23 DATA SEQUENCE ENLMQVYQQA RLSNPELRKS AADRDAAFEK INEARSPLLP QLGLGADYTY DATA SEQUENCE SNGYRDANGI NSNATSASLQ LTQSIFDMSK WRALTLQEKA AGIQDVTYQT DATA SEQUENCE DQQTLILNTA TAYFNVLNAI DVLSYTQAQK EAIYRQLDQT TQRFNVGLVA DATA SEQUENCE ITDVQNARAQ YDTVLANELT ARNNLDNAVE QLRQITGNYY PELAALNVEN DATA SEQUENCE FKTDKPQPVN ALLKEAEKRN LSLLQARLSQ DLAREQIRQA QDGHLPTLDL DATA SEQUENCE TASTGISDTS YSGSKTRGAA GTQYDDSNMG QNKVGLSFSL PIYQGGMVNS DATA SEQUENCE QVKQAQYNFV GASEQLESAH RSVVQTVRSS FNNINASISS INAYKQAVVS DATA SEQUENCE AQSSLDAMEA GFSVGTETIV DVLDATTTLY NAKQELANAR YNYLINQLNI DATA SEQUENCE KSALGTLNEQ DLLALNNALS KPVSTNPEL 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 23 E HA 0.000 nan 4.350 nan 0.000 0.291 23 E C 0.000 176.590 176.600 -0.017 0.000 1.382 23 E CA 0.000 56.392 56.400 -0.014 0.000 0.976 23 E CB 0.000 29.648 29.700 -0.087 0.000 0.812 24 N N -0.051 118.628 118.700 -0.035 0.000 2.671 24 N HA 0.348 5.094 4.740 0.010 0.000 0.303 24 N C 0.733 176.103 175.510 -0.234 0.000 1.277 24 N CA -0.838 52.188 53.050 -0.040 0.000 0.933 24 N CB 0.718 39.192 38.487 -0.022 0.000 1.190 24 N HN 0.378 nan 8.380 nan 0.000 0.600 25 L N -0.671 120.270 121.223 -0.470 0.000 2.079 25 L HA 0.015 4.361 4.340 0.010 0.000 0.210 25 L C 1.745 178.425 176.870 -0.316 0.000 1.081 25 L CA 1.782 56.189 54.840 -0.721 0.000 0.752 25 L CB -0.715 40.868 42.059 -0.793 0.000 0.896 25 L HN 0.612 nan 8.230 nan 0.000 0.433 26 M N -1.409 118.080 119.600 -0.184 0.000 2.099 26 M HA -0.190 4.296 4.480 0.010 0.000 0.262 26 M C 2.287 178.581 176.300 -0.009 0.000 1.067 26 M CA 1.569 56.826 55.300 -0.072 0.000 1.124 26 M CB -1.022 31.542 32.600 -0.061 0.000 1.353 26 M HN 0.355 nan 8.290 nan 0.000 0.410 27 Q N -0.275 119.495 119.800 -0.049 0.000 2.084 27 Q HA -0.128 4.218 4.340 0.010 0.000 0.202 27 Q C 2.221 178.193 176.000 -0.045 0.000 0.978 27 Q CA 1.411 57.197 55.803 -0.029 0.000 0.844 27 Q CB -0.195 28.524 28.738 -0.032 0.000 0.898 27 Q HN 0.299 nan 8.270 nan 0.000 0.426 28 V N -0.176 119.654 119.914 -0.140 0.000 2.358 28 V HA -0.261 3.865 4.120 0.010 0.000 0.246 28 V C 1.836 177.904 176.094 -0.043 0.000 1.047 28 V CA 1.820 64.014 62.300 -0.177 0.000 1.035 28 V CB -0.578 31.037 31.823 -0.347 0.000 0.658 28 V HN 0.415 nan 8.190 nan 0.000 0.452 29 Y N 1.099 121.309 120.300 -0.151 0.000 2.145 29 Y HA -0.299 4.257 4.550 0.010 0.000 0.286 29 Y C 2.604 178.468 175.900 -0.061 0.000 1.145 29 Y CA 2.122 60.157 58.100 -0.108 0.000 1.148 29 Y CB -0.186 38.195 38.460 -0.133 0.000 0.981 29 Y HN 0.269 nan 8.280 nan 0.000 0.507 30 Q N -0.236 119.593 119.800 0.048 0.000 2.291 30 Q HA -0.193 4.153 4.340 0.010 0.000 0.205 30 Q C 2.185 178.138 176.000 -0.078 0.000 0.970 30 Q CA 1.485 57.282 55.803 -0.011 0.000 0.876 30 Q CB -0.048 28.735 28.738 0.076 0.000 0.935 30 Q HN 0.639 nan 8.270 nan 0.000 0.455 31 Q N -0.653 119.118 119.800 -0.049 0.000 2.187 31 Q HA -0.034 4.312 4.340 0.010 0.000 0.199 31 Q C 1.951 177.905 176.000 -0.076 0.000 0.957 31 Q CA 0.991 56.780 55.803 -0.023 0.000 0.857 31 Q CB 0.051 28.832 28.738 0.071 0.000 0.929 31 Q HN 0.379 nan 8.270 nan 0.000 0.453 32 A N 1.040 123.770 122.820 -0.149 0.000 1.929 32 A HA -0.149 4.177 4.320 0.010 0.000 0.216 32 A C 1.987 179.414 177.584 -0.261 0.000 1.176 32 A CA 0.966 52.886 52.037 -0.195 0.000 0.628 32 A CB -0.366 18.499 19.000 -0.224 0.000 0.816 32 A HN 0.176 nan 8.150 nan 0.000 0.444 33 R N -0.402 119.861 120.500 -0.394 0.000 2.083 33 R HA -0.114 4.232 4.340 0.010 0.000 0.237 33 R C 1.942 178.152 176.300 -0.149 0.000 1.137 33 R CA 1.493 57.401 56.100 -0.320 0.000 0.951 33 R CB -0.339 29.761 30.300 -0.333 0.000 0.851 33 R HN 0.430 nan 8.270 nan 0.000 0.434 34 L N -0.165 120.991 121.223 -0.112 0.000 2.012 34 L HA -0.174 4.172 4.340 0.010 0.000 0.210 34 L C 2.464 179.300 176.870 -0.057 0.000 1.073 34 L CA 1.977 56.779 54.840 -0.063 0.000 0.748 34 L CB -0.865 41.166 42.059 -0.047 0.000 0.891 34 L HN 0.319 nan 8.230 nan 0.000 0.431 35 S N -1.031 114.628 115.700 -0.069 0.000 2.468 35 S HA -0.018 4.458 4.470 0.010 0.000 0.226 35 S C 1.051 175.615 174.600 -0.059 0.000 1.051 35 S CA -0.382 57.784 58.200 -0.058 0.000 0.943 35 S CB -0.125 63.039 63.200 -0.059 0.000 0.810 35 S HN 0.416 nan 8.310 nan 0.000 0.509 36 N N 3.090 121.744 118.700 -0.077 0.000 2.276 36 N HA -0.040 4.707 4.740 0.010 0.000 0.279 36 N C -1.731 173.751 175.510 -0.045 0.000 1.379 36 N CA -0.373 52.635 53.050 -0.070 0.000 0.886 36 N CB 1.030 39.462 38.487 -0.093 0.000 1.199 36 N HN 0.335 nan 8.380 nan 0.000 0.493 37 P HA -0.079 nan 4.420 nan 0.000 0.221 37 P C 0.522 177.814 177.300 -0.013 0.000 1.150 37 P CA 1.089 64.175 63.100 -0.023 0.000 0.800 37 P CB 0.443 32.129 31.700 -0.024 0.000 0.787 38 E N -0.161 120.028 120.200 -0.018 0.000 2.072 38 E HA -0.121 4.235 4.350 0.010 0.000 0.191 38 E C 2.018 178.618 176.600 -0.001 0.000 0.985 38 E CA 0.746 57.139 56.400 -0.011 0.000 0.801 38 E CB -1.074 28.615 29.700 -0.019 0.000 0.750 38 E HN 0.116 nan 8.360 nan 0.000 0.452 39 L N 0.816 122.032 121.223 -0.012 0.000 2.027 39 L HA -0.100 4.247 4.340 0.010 0.000 0.206 39 L C 1.944 178.864 176.870 0.084 0.000 1.074 39 L CA 1.661 56.502 54.840 0.003 0.000 0.745 39 L CB -0.112 41.922 42.059 -0.041 0.000 0.898 39 L HN -0.027 nan 8.230 nan 0.000 0.433 40 R N -0.386 120.145 120.500 0.051 0.000 2.152 40 R HA -0.194 4.152 4.340 0.010 0.000 0.232 40 R C 2.171 178.498 176.300 0.046 0.000 1.117 40 R CA 1.346 57.479 56.100 0.056 0.000 0.981 40 R CB -0.470 29.840 30.300 0.015 0.000 0.870 40 R HN 0.316 nan 8.270 nan 0.000 0.451 41 K N 1.405 121.827 120.400 0.037 0.000 1.985 41 K HA -0.131 4.195 4.320 0.010 0.000 0.210 41 K C 2.182 178.815 176.600 0.055 0.000 1.047 41 K CA 2.078 58.384 56.287 0.031 0.000 0.932 41 K CB -0.521 31.991 32.500 0.021 0.000 0.716 41 K HN -0.000 nan 8.250 nan 0.000 0.439 42 S N -0.608 115.148 115.700 0.094 0.000 2.440 42 S HA -0.144 4.332 4.470 0.010 0.000 0.240 42 S C 1.827 176.574 174.600 0.246 0.000 1.014 42 S CA 1.260 59.558 58.200 0.164 0.000 0.980 42 S CB -0.536 62.761 63.200 0.162 0.000 0.775 42 S HN 0.498 nan 8.310 nan 0.000 0.499 43 A N 1.198 124.123 122.820 0.175 0.000 1.855 43 A HA 0.419 4.745 4.320 0.010 0.000 0.213 43 A C 2.536 180.036 177.584 -0.141 0.000 1.195 43 A CA 1.393 53.370 52.037 -0.098 0.000 0.610 43 A CB -1.493 17.486 19.000 -0.036 0.000 0.837 43 A HN 0.787 nan 8.150 nan 0.000 0.444 44 A N 0.218 123.006 122.820 -0.054 0.000 1.940 44 A HA -0.220 4.106 4.320 0.010 0.000 0.219 44 A C 1.678 179.240 177.584 -0.036 0.000 1.176 44 A CA 2.045 54.053 52.037 -0.049 0.000 0.631 44 A CB -0.702 18.285 19.000 -0.022 0.000 0.814 44 A HN 0.437 nan 8.150 nan 0.000 0.446 45 D N -1.182 119.213 120.400 -0.009 0.000 2.263 45 D HA -0.121 4.525 4.640 0.010 0.000 0.208 45 D C 2.008 178.313 176.300 0.008 0.000 0.971 45 D CA 0.979 54.986 54.000 0.012 0.000 0.867 45 D CB -0.183 40.640 40.800 0.037 0.000 0.929 45 D HN 0.551 nan 8.370 nan 0.000 0.492 46 R N 0.381 120.849 120.500 -0.052 0.000 2.105 46 R HA -0.055 4.291 4.340 0.010 0.000 0.214 46 R C 0.921 177.152 176.300 -0.115 0.000 1.091 46 R CA 0.637 56.681 56.100 -0.093 0.000 1.007 46 R CB 0.280 30.417 30.300 -0.272 0.000 0.912 46 R HN -0.046 nan 8.270 nan 0.000 0.450 47 D N 0.996 121.297 120.400 -0.164 0.000 2.144 47 D HA -0.103 4.544 4.640 0.010 0.000 0.199 47 D C 1.668 177.968 176.300 -0.000 0.000 0.984 47 D CA 1.352 55.282 54.000 -0.117 0.000 0.834 47 D CB -0.155 40.568 40.800 -0.128 0.000 0.955 47 D HN 0.326 nan 8.370 nan 0.000 0.465 48 A N 1.161 123.984 122.820 0.005 0.000 1.873 48 A HA 0.027 4.353 4.320 0.010 0.000 0.215 48 A C 2.339 179.961 177.584 0.064 0.000 1.186 48 A CA 2.086 54.140 52.037 0.028 0.000 0.616 48 A CB -0.833 18.175 19.000 0.015 0.000 0.823 48 A HN 0.224 nan 8.150 nan 0.000 0.442 49 A N -1.149 121.725 122.820 0.090 0.000 1.908 49 A HA -0.054 4.272 4.320 0.010 0.000 0.218 49 A C 1.966 179.651 177.584 0.169 0.000 1.181 49 A CA 1.685 53.793 52.037 0.118 0.000 0.627 49 A CB -0.780 18.303 19.000 0.139 0.000 0.818 49 A HN 0.432 nan 8.150 nan 0.000 0.445 50 F N 0.047 119.979 119.950 -0.030 0.000 2.095 50 F HA -0.139 4.394 4.527 0.011 0.000 0.298 50 F C 2.356 178.141 175.800 -0.026 0.000 1.104 50 F CA 1.861 59.844 58.000 -0.028 0.000 1.232 50 F CB -0.601 38.376 39.000 -0.039 0.000 0.987 50 F HN 0.353 nan 8.300 nan 0.000 0.475 51 E N 0.652 120.947 120.200 0.158 0.000 2.209 51 E HA -0.212 4.144 4.350 0.010 0.000 0.196 51 E C 1.963 178.577 176.600 0.023 0.000 0.993 51 E CA 1.195 57.636 56.400 0.069 0.000 0.819 51 E CB -0.370 29.358 29.700 0.047 0.000 0.745 51 E HN 0.197 nan 8.360 nan 0.000 0.477 52 K N 0.039 120.451 120.400 0.019 0.000 2.442 52 K HA -0.061 4.265 4.320 0.010 0.000 0.198 52 K C 1.475 178.054 176.600 -0.035 0.000 1.042 52 K CA 0.512 56.794 56.287 -0.008 0.000 0.958 52 K CB -0.010 32.489 32.500 -0.002 0.000 0.766 52 K HN 0.213 nan 8.250 nan 0.000 0.474 53 I N 1.921 122.460 120.570 -0.052 0.000 2.208 53 I HA -0.308 3.869 4.170 0.010 0.000 0.245 53 I C 1.660 177.738 176.117 -0.065 0.000 1.097 53 I CA 1.340 62.594 61.300 -0.078 0.000 1.363 53 I CB -1.278 36.655 38.000 -0.112 0.000 1.051 53 I HN 0.214 nan 8.210 nan 0.000 0.413 54 N N 0.706 119.378 118.700 -0.046 0.000 2.120 54 N HA -0.206 4.540 4.740 0.010 0.000 0.188 54 N C 1.857 177.335 175.510 -0.053 0.000 1.024 54 N CA 1.115 54.138 53.050 -0.045 0.000 0.852 54 N CB -0.288 38.184 38.487 -0.027 0.000 1.003 54 N HN 0.492 nan 8.380 nan 0.000 0.424 55 E N 0.617 120.789 120.200 -0.046 0.000 2.047 55 E HA -0.050 4.306 4.350 0.010 0.000 0.191 55 E C 1.660 178.220 176.600 -0.066 0.000 0.987 55 E CA 0.885 57.256 56.400 -0.049 0.000 0.799 55 E CB -0.004 29.675 29.700 -0.036 0.000 0.752 55 E HN 0.302 nan 8.360 nan 0.000 0.449 56 A N 1.092 123.870 122.820 -0.069 0.000 2.070 56 A HA -0.160 4.166 4.320 0.010 0.000 0.220 56 A C 2.098 179.608 177.584 -0.123 0.000 1.159 56 A CA 1.383 53.369 52.037 -0.085 0.000 0.656 56 A CB -0.383 18.573 19.000 -0.074 0.000 0.800 56 A HN 0.162 nan 8.150 nan 0.000 0.453 57 R N -0.064 120.359 120.500 -0.127 0.000 2.173 57 R HA -0.051 4.295 4.340 0.010 0.000 0.208 57 R C 2.379 178.574 176.300 -0.176 0.000 1.035 57 R CA 1.342 57.336 56.100 -0.177 0.000 1.004 57 R CB -0.282 29.931 30.300 -0.146 0.000 0.917 57 R HN 0.556 nan 8.270 nan 0.000 0.462 58 S N 1.369 116.995 115.700 -0.124 0.000 2.380 58 S HA -0.054 4.422 4.470 0.010 0.000 0.229 58 S C -0.771 173.758 174.600 -0.119 0.000 1.043 58 S CA 1.173 59.310 58.200 -0.104 0.000 1.038 58 S CB -1.042 62.114 63.200 -0.074 0.000 0.872 58 S HN 0.335 nan 8.310 nan 0.000 0.456 59 P HA 0.113 nan 4.420 nan 0.000 0.239 59 P C 1.093 178.288 177.300 -0.175 0.000 1.184 59 P CA 0.492 63.512 63.100 -0.133 0.000 0.760 59 P CB -0.173 31.451 31.700 -0.127 0.000 0.884 60 L N -1.909 119.171 121.223 -0.238 0.000 2.357 60 L HA 0.090 4.436 4.340 0.010 0.000 0.211 60 L C 1.203 177.970 176.870 -0.172 0.000 1.075 60 L CA 0.027 54.690 54.840 -0.296 0.000 0.830 60 L CB -0.358 41.361 42.059 -0.568 0.000 0.996 60 L HN -0.053 nan 8.230 nan 0.000 0.467 61 L N 0.267 121.409 121.223 -0.136 0.000 2.475 61 L HA 0.204 4.551 4.340 0.010 0.000 0.253 61 L C -1.865 174.973 176.870 -0.052 0.000 1.198 61 L CA -1.440 53.354 54.840 -0.077 0.000 0.814 61 L CB -0.568 41.451 42.059 -0.067 0.000 1.134 61 L HN -0.177 nan 8.230 nan 0.000 0.478 62 P HA -0.017 nan 4.420 nan 0.000 0.266 62 P C -1.385 175.901 177.300 -0.024 0.000 1.195 62 P CA -0.106 62.983 63.100 -0.019 0.000 0.768 62 P CB 0.410 32.105 31.700 -0.009 0.000 0.838 63 Q N 2.132 121.920 119.800 -0.020 0.000 2.381 63 Q HA 0.377 4.723 4.340 0.010 0.000 0.263 63 Q C -0.812 175.180 176.000 -0.013 0.000 1.030 63 Q CA -0.756 55.035 55.803 -0.020 0.000 0.772 63 Q CB 1.905 30.628 28.738 -0.025 0.000 1.232 63 Q HN 0.370 nan 8.270 nan 0.000 0.476 64 L N 2.340 123.556 121.223 -0.011 0.000 2.313 64 L HA 0.591 4.937 4.340 0.010 0.000 0.273 64 L C -0.041 176.825 176.870 -0.006 0.000 1.028 64 L CA -0.108 54.728 54.840 -0.007 0.000 0.871 64 L CB 1.012 43.068 42.059 -0.005 0.000 1.242 64 L HN 0.586 nan 8.230 nan 0.000 0.434 65 G N 3.573 112.370 108.800 -0.005 0.000 2.488 65 G HA2 0.618 4.584 3.960 0.010 0.000 0.318 65 G HA3 0.618 4.584 3.960 0.010 0.000 0.318 65 G C -1.658 173.241 174.900 -0.000 0.000 1.188 65 G CA -0.501 44.597 45.100 -0.003 0.000 0.944 65 G HN 0.579 nan 8.290 nan 0.000 0.495 66 L N -0.665 120.558 121.223 0.001 0.000 2.465 66 L HA 0.892 5.238 4.340 0.010 0.000 0.257 66 L C -0.304 176.569 176.870 0.005 0.000 0.988 66 L CA -0.215 54.627 54.840 0.003 0.000 0.827 66 L CB 2.214 44.275 42.059 0.003 0.000 1.397 66 L HN 1.145 nan 8.230 nan 0.000 0.410 67 G N 2.263 111.068 108.800 0.008 0.000 2.750 67 G HA2 0.729 4.695 3.960 0.010 0.000 0.298 67 G HA3 0.729 4.695 3.960 0.010 0.000 0.298 67 G C -1.692 173.218 174.900 0.017 0.000 1.412 67 G CA -0.049 45.057 45.100 0.011 0.000 1.078 67 G HN 0.941 nan 8.290 nan 0.000 0.573 68 A N 1.229 124.062 122.820 0.022 0.000 2.252 68 A HA 0.883 5.209 4.320 0.010 0.000 0.305 68 A C -0.505 177.105 177.584 0.042 0.000 1.097 68 A CA -0.501 51.555 52.037 0.032 0.000 0.849 68 A CB 1.522 20.543 19.000 0.035 0.000 1.142 68 A HN 0.591 nan 8.150 nan 0.000 0.499 69 D N -0.620 119.816 120.400 0.060 0.000 2.362 69 D HA 0.196 4.842 4.640 0.010 0.000 0.232 69 D C -1.881 174.476 176.300 0.095 0.000 1.329 69 D CA -0.127 53.911 54.000 0.063 0.000 0.944 69 D CB 0.480 41.297 40.800 0.027 0.000 1.471 69 D HN 0.426 nan 8.370 nan 0.000 0.533 70 Y N 2.036 122.340 120.300 0.007 0.000 2.307 70 Y HA 0.567 5.124 4.550 0.011 0.000 0.324 70 Y C -0.199 175.713 175.900 0.021 0.000 1.238 70 Y CA 0.245 58.352 58.100 0.013 0.000 1.280 70 Y CB 1.487 39.955 38.460 0.014 0.000 1.248 70 Y HN 0.182 nan 8.280 nan 0.000 0.508 71 T N 4.675 118.698 114.554 -0.884 0.000 2.830 71 T HA 0.355 4.712 4.350 0.010 0.000 0.322 71 T C -2.548 171.733 174.700 -0.699 0.000 1.501 71 T CA -0.517 61.209 62.100 -0.623 0.000 1.036 71 T CB 0.632 69.345 68.868 -0.259 0.000 1.379 71 T HN 0.604 nan 8.240 nan 0.000 0.493 72 Y N 1.863 121.886 120.300 -0.462 0.000 2.386 72 Y HA 0.703 5.259 4.550 0.010 0.000 0.334 72 Y C -0.558 175.250 175.900 -0.153 0.000 1.002 72 Y CA -0.390 57.541 58.100 -0.283 0.000 1.068 72 Y CB 1.986 40.362 38.460 -0.141 0.000 1.203 72 Y HN 0.684 nan 8.280 nan 0.000 0.443 73 S N 4.048 119.365 115.700 -0.638 0.000 2.722 73 S HA 0.533 5.010 4.470 0.010 0.000 0.292 73 S C -1.269 172.998 174.600 -0.555 0.000 1.135 73 S CA -0.850 57.089 58.200 -0.435 0.000 1.003 73 S CB 1.333 64.366 63.200 -0.279 0.000 1.067 73 S HN 0.763 nan 8.310 nan 0.000 0.546 74 N N -1.099 117.474 118.700 -0.212 0.000 2.308 74 N HA 0.448 5.194 4.740 0.010 0.000 0.283 74 N C -0.736 174.781 175.510 0.013 0.000 1.105 74 N CA -0.485 52.513 53.050 -0.087 0.000 0.840 74 N CB 1.249 39.764 38.487 0.047 0.000 1.633 74 N HN 0.682 nan 8.380 nan 0.000 0.476 75 G N 1.661 110.481 108.800 0.034 0.000 2.716 75 G HA2 -0.006 3.960 3.960 0.010 0.000 0.296 75 G HA3 -0.006 3.960 3.960 0.010 0.000 0.296 75 G C 0.023 174.996 174.900 0.121 0.000 0.811 75 G CA 0.136 45.274 45.100 0.063 0.000 1.758 75 G HN 0.677 nan 8.290 nan 0.000 0.512 76 Y N 2.431 122.732 120.300 0.002 0.000 2.337 76 Y HA 0.163 4.719 4.550 0.010 0.000 0.293 76 Y C 2.108 178.013 175.900 0.007 0.000 1.123 76 Y CA 1.053 59.158 58.100 0.008 0.000 1.201 76 Y CB 0.192 38.658 38.460 0.010 0.000 1.011 76 Y HN 0.488 nan 8.280 nan 0.000 0.545 77 R N -0.546 119.918 120.500 -0.060 0.000 2.546 77 R HA 0.218 4.565 4.340 0.010 0.000 0.110 77 R C 1.324 177.592 176.300 -0.053 0.000 1.422 77 R CA 0.875 56.893 56.100 -0.137 0.000 1.204 77 R CB -0.732 29.473 30.300 -0.158 0.000 1.036 77 R HN -0.067 nan 8.270 nan 0.000 0.417 78 D N 0.877 121.261 120.400 -0.027 0.000 2.269 78 D HA 0.079 4.725 4.640 0.010 0.000 0.208 78 D C 1.159 177.463 176.300 0.006 0.000 0.963 78 D CA 1.242 55.236 54.000 -0.010 0.000 0.864 78 D CB -0.039 40.760 40.800 -0.001 0.000 0.936 78 D HN 0.456 nan 8.370 nan 0.000 0.505 79 A N 0.388 123.223 122.820 0.024 0.000 2.172 79 A HA -0.122 4.204 4.320 0.010 0.000 0.216 79 A C 1.024 178.618 177.584 0.017 0.000 1.154 79 A CA 0.081 52.141 52.037 0.038 0.000 0.701 79 A CB -0.465 18.573 19.000 0.062 0.000 0.789 79 A HN 0.106 nan 8.150 nan 0.000 0.465 80 N N 0.145 118.847 118.700 0.004 0.000 2.052 80 N HA -0.013 4.733 4.740 0.010 0.000 0.283 80 N C 1.320 176.815 175.510 -0.024 0.000 1.272 80 N CA 1.681 54.727 53.050 -0.006 0.000 0.810 80 N CB 0.075 38.553 38.487 -0.017 0.000 1.042 80 N HN 0.678 nan 8.380 nan 0.000 0.483 81 G N 2.321 111.110 108.800 -0.019 0.000 2.189 81 G HA2 -0.288 3.678 3.960 0.010 0.000 0.267 81 G HA3 -0.288 3.678 3.960 0.010 0.000 0.267 81 G C 0.205 175.067 174.900 -0.062 0.000 0.975 81 G CA 0.325 45.402 45.100 -0.039 0.000 0.644 81 G HN 0.612 nan 8.290 nan 0.000 0.537 82 I N 2.177 122.723 120.570 -0.041 0.000 2.390 82 I HA 0.350 4.526 4.170 0.010 0.000 0.283 82 I C -0.780 175.351 176.117 0.024 0.000 1.016 82 I CA -0.940 60.362 61.300 0.002 0.000 1.151 82 I CB 1.217 39.228 38.000 0.019 0.000 1.293 82 I HN 0.226 nan 8.210 nan 0.000 0.458 83 N N 4.322 123.013 118.700 -0.014 0.000 2.352 83 N HA 0.427 5.173 4.740 0.010 0.000 0.291 83 N C -1.068 174.278 175.510 -0.274 0.000 1.040 83 N CA -0.713 52.237 53.050 -0.168 0.000 0.864 83 N CB 1.789 40.147 38.487 -0.214 0.000 1.440 83 N HN 0.213 nan 8.380 nan 0.000 0.483 84 S N 1.194 116.642 115.700 -0.419 0.000 2.687 84 S HA 0.615 5.092 4.470 0.010 0.000 0.283 84 S C -0.408 173.924 174.600 -0.447 0.000 1.170 84 S CA -0.815 57.075 58.200 -0.517 0.000 1.008 84 S CB 0.433 63.304 63.200 -0.549 0.000 1.026 84 S HN 0.771 nan 8.310 nan 0.000 0.541 85 N N -0.016 118.505 118.700 -0.299 0.000 2.549 85 N HA 0.566 5.312 4.740 0.010 0.000 0.290 85 N C -1.362 174.062 175.510 -0.142 0.000 1.122 85 N CA -0.610 52.334 53.050 -0.177 0.000 0.885 85 N CB 1.188 39.744 38.487 0.115 0.000 1.455 85 N HN 0.589 nan 8.380 nan 0.000 0.521 86 A N 1.140 123.837 122.820 -0.205 0.000 2.330 86 A HA 0.851 5.177 4.320 0.010 0.000 0.327 86 A C -0.002 177.554 177.584 -0.047 0.000 1.155 86 A CA -0.564 51.407 52.037 -0.110 0.000 0.803 86 A CB 0.680 19.608 19.000 -0.120 0.000 1.208 86 A HN 0.745 nan 8.150 nan 0.000 0.477 87 T N -0.488 114.095 114.554 0.050 0.000 2.829 87 T HA 0.766 5.122 4.350 0.010 0.000 0.280 87 T C -0.351 174.381 174.700 0.055 0.000 0.999 87 T CA -0.133 62.031 62.100 0.106 0.000 0.983 87 T CB 1.235 70.196 68.868 0.155 0.000 0.968 87 T HN 1.589 nan 8.240 nan 0.000 0.446 88 S N 1.188 116.918 115.700 0.050 0.000 2.546 88 S HA 0.843 5.319 4.470 0.010 0.000 0.272 88 S C -0.575 174.045 174.600 0.033 0.000 1.140 88 S CA -0.849 57.370 58.200 0.032 0.000 0.920 88 S CB 1.456 64.666 63.200 0.018 0.000 1.083 88 S HN 1.412 nan 8.310 nan 0.000 0.476 89 A N 1.687 124.523 122.820 0.026 0.000 2.346 89 A HA 1.029 5.355 4.320 0.010 0.000 0.313 89 A C -0.158 177.436 177.584 0.016 0.000 1.140 89 A CA -0.523 51.527 52.037 0.022 0.000 0.826 89 A CB 1.416 20.428 19.000 0.020 0.000 1.332 89 A HN 2.286 nan 8.150 nan 0.000 0.457 90 S N -0.463 115.245 115.700 0.013 0.000 2.602 90 S HA 0.426 4.902 4.470 0.010 0.000 0.301 90 S C -1.293 173.312 174.600 0.009 0.000 1.091 90 S CA -0.657 57.549 58.200 0.011 0.000 0.895 90 S CB -0.382 62.824 63.200 0.010 0.000 1.090 90 S HN 0.735 nan 8.310 nan 0.000 0.449 91 L N 2.927 124.154 121.223 0.008 0.000 2.331 91 L HA 0.489 4.835 4.340 0.010 0.000 0.278 91 L C 0.148 177.021 176.870 0.006 0.000 1.106 91 L CA -0.246 54.598 54.840 0.006 0.000 0.824 91 L CB 0.909 42.971 42.059 0.006 0.000 1.142 91 L HN 0.634 nan 8.230 nan 0.000 0.443 92 Q N 4.780 124.583 119.800 0.004 0.000 2.330 92 Q HA 0.536 4.882 4.340 0.010 0.000 0.269 92 Q C -1.145 174.856 176.000 0.002 0.000 1.022 92 Q CA -0.536 55.269 55.803 0.004 0.000 0.796 92 Q CB 3.222 31.962 28.738 0.003 0.000 1.271 92 Q HN 0.522 nan 8.270 nan 0.000 0.450 93 L N 1.979 123.204 121.223 0.004 0.000 2.385 93 L HA 0.655 5.001 4.340 0.010 0.000 0.273 93 L C -0.743 176.129 176.870 0.004 0.000 0.990 93 L CA -0.258 54.584 54.840 0.003 0.000 0.821 93 L CB 2.111 44.172 42.059 0.005 0.000 1.279 93 L HN 0.669 nan 8.230 nan 0.000 0.412 94 T N 0.947 115.501 114.554 0.000 0.000 2.908 94 T HA 0.726 5.082 4.350 0.010 0.000 0.290 94 T C -0.822 173.877 174.700 -0.000 0.000 1.034 94 T CA -0.674 61.427 62.100 0.002 0.000 1.010 94 T CB 1.902 70.769 68.868 -0.002 0.000 1.068 94 T HN 0.602 nan 8.240 nan 0.000 0.481 95 Q N 0.992 120.797 119.800 0.008 0.000 2.268 95 Q HA 0.526 4.873 4.340 0.010 0.000 0.266 95 Q C -1.099 174.915 176.000 0.023 0.000 1.006 95 Q CA -0.361 55.449 55.803 0.011 0.000 0.824 95 Q CB 2.377 31.127 28.738 0.021 0.000 1.306 95 Q HN 0.824 nan 8.270 nan 0.000 0.424 96 S N 4.582 120.289 115.700 0.013 0.000 2.474 96 S HA 0.559 5.035 4.470 0.010 0.000 0.276 96 S C -0.354 174.303 174.600 0.094 0.000 1.227 96 S CA -0.406 57.813 58.200 0.032 0.000 1.050 96 S CB -0.147 63.041 63.200 -0.019 0.000 0.939 96 S HN 0.556 nan 8.310 nan 0.000 0.490 97 I N 5.585 126.236 120.570 0.135 0.000 2.555 97 I HA 0.405 4.582 4.170 0.010 0.000 0.275 97 I C -0.689 175.619 176.117 0.319 0.000 1.082 97 I CA -0.683 60.738 61.300 0.202 0.000 1.167 97 I CB 0.069 38.164 38.000 0.159 0.000 1.312 97 I HN 0.759 nan 8.210 nan 0.000 0.493 98 F N 3.739 123.786 119.950 0.162 0.000 2.349 98 F HA -0.206 4.327 4.527 0.010 0.000 0.463 98 F C -0.973 174.894 175.800 0.112 0.000 1.204 98 F CA 0.072 58.162 58.000 0.149 0.000 1.483 98 F CB -0.457 38.599 39.000 0.095 0.000 2.274 98 F HN 0.597 nan 8.300 nan 0.000 0.756 99 D N 5.083 125.396 120.400 -0.145 0.000 2.446 99 D HA 0.272 4.919 4.640 0.010 0.000 0.251 99 D C 0.818 176.972 176.300 -0.243 0.000 1.137 99 D CA -0.453 53.417 54.000 -0.217 0.000 0.890 99 D CB 1.183 41.923 40.800 -0.099 0.000 1.071 99 D HN 0.444 nan 8.370 nan 0.000 0.528 100 M N 2.456 121.774 119.600 -0.470 0.000 2.117 100 M HA -0.166 4.320 4.480 0.010 0.000 0.262 100 M C 1.994 178.243 176.300 -0.085 0.000 1.065 100 M CA 1.638 56.752 55.300 -0.310 0.000 1.114 100 M CB -0.328 32.038 32.600 -0.389 0.000 1.361 100 M HN 0.378 nan 8.290 nan 0.000 0.408 101 S N -0.665 114.970 115.700 -0.109 0.000 2.419 101 S HA -0.189 4.287 4.470 0.010 0.000 0.235 101 S C 1.875 176.443 174.600 -0.054 0.000 1.019 101 S CA 1.334 59.493 58.200 -0.069 0.000 0.982 101 S CB -0.675 62.476 63.200 -0.083 0.000 0.789 101 S HN 0.584 nan 8.310 nan 0.000 0.490 102 K N -0.064 120.291 120.400 -0.076 0.000 2.103 102 K HA 0.012 4.338 4.320 0.010 0.000 0.204 102 K C 1.785 178.300 176.600 -0.142 0.000 1.052 102 K CA 1.284 57.493 56.287 -0.130 0.000 0.945 102 K CB -0.268 32.115 32.500 -0.195 0.000 0.722 102 K HN 0.485 nan 8.250 nan 0.000 0.443 103 W N 1.310 122.551 121.300 -0.097 0.000 2.388 103 W HA -0.114 4.552 4.660 0.010 0.000 0.294 103 W C 2.455 178.937 176.519 -0.062 0.000 1.212 103 W CA 0.731 58.032 57.345 -0.072 0.000 1.271 103 W CB -0.053 29.363 29.460 -0.072 0.000 1.126 103 W HN 0.011 nan 8.180 nan 0.000 0.535 104 R N 0.850 121.434 120.500 0.140 0.000 2.081 104 R HA -0.110 4.236 4.340 0.010 0.000 0.235 104 R C 2.195 178.510 176.300 0.025 0.000 1.131 104 R CA 1.880 58.019 56.100 0.066 0.000 0.960 104 R CB -1.008 29.307 30.300 0.025 0.000 0.856 104 R HN 0.063 nan 8.270 nan 0.000 0.436 105 A N 0.377 123.192 122.820 -0.009 0.000 1.940 105 A HA -0.165 4.162 4.320 0.010 0.000 0.219 105 A C 2.001 179.562 177.584 -0.038 0.000 1.176 105 A CA 1.586 53.602 52.037 -0.034 0.000 0.631 105 A CB -0.694 18.268 19.000 -0.063 0.000 0.814 105 A HN 0.362 nan 8.150 nan 0.000 0.446 106 L N -0.134 121.063 121.223 -0.043 0.000 2.056 106 L HA -0.079 4.267 4.340 0.010 0.000 0.207 106 L C 2.454 179.319 176.870 -0.008 0.000 1.078 106 L CA 2.811 57.623 54.840 -0.047 0.000 0.749 106 L CB -1.088 40.924 42.059 -0.078 0.000 0.901 106 L HN 0.404 nan 8.230 nan 0.000 0.433 107 T N -0.386 114.188 114.554 0.033 0.000 2.737 107 T HA -0.152 4.204 4.350 0.010 0.000 0.265 107 T C 1.885 176.588 174.700 0.006 0.000 1.038 107 T CA 1.394 63.512 62.100 0.031 0.000 1.144 107 T CB -0.437 68.464 68.868 0.054 0.000 0.866 107 T HN 0.151 nan 8.240 nan 0.000 0.434 108 L N 1.260 122.486 121.223 0.006 0.000 2.043 108 L HA -0.126 4.221 4.340 0.010 0.000 0.212 108 L C 2.650 179.512 176.870 -0.013 0.000 1.075 108 L CA 1.698 56.538 54.840 0.000 0.000 0.752 108 L CB -1.042 41.017 42.059 -0.000 0.000 0.891 108 L HN 0.212 nan 8.230 nan 0.000 0.432 109 Q N -0.429 119.355 119.800 -0.027 0.000 2.172 109 Q HA -0.161 4.185 4.340 0.010 0.000 0.200 109 Q C 2.066 178.023 176.000 -0.071 0.000 0.964 109 Q CA 1.475 57.253 55.803 -0.042 0.000 0.855 109 Q CB 0.010 28.718 28.738 -0.051 0.000 0.918 109 Q HN 0.565 nan 8.270 nan 0.000 0.444 110 E N -0.531 119.622 120.200 -0.078 0.000 2.106 110 E HA -0.150 4.206 4.350 0.010 0.000 0.192 110 E C 1.821 178.365 176.600 -0.092 0.000 0.984 110 E CA 1.028 57.355 56.400 -0.121 0.000 0.806 110 E CB 0.079 29.724 29.700 -0.092 0.000 0.750 110 E HN 0.127 nan 8.360 nan 0.000 0.458 111 K N 0.724 121.100 120.400 -0.039 0.000 2.057 111 K HA -0.066 4.260 4.320 0.010 0.000 0.206 111 K C 1.934 178.533 176.600 -0.001 0.000 1.050 111 K CA 1.122 57.403 56.287 -0.010 0.000 0.935 111 K CB -0.260 32.246 32.500 0.010 0.000 0.715 111 K HN 0.096 nan 8.250 nan 0.000 0.439 112 A N 0.791 123.607 122.820 -0.006 0.000 1.908 112 A HA -0.166 4.160 4.320 0.010 0.000 0.218 112 A C 2.290 179.890 177.584 0.026 0.000 1.181 112 A CA 2.128 54.171 52.037 0.010 0.000 0.627 112 A CB -0.866 18.136 19.000 0.004 0.000 0.818 112 A HN 0.326 nan 8.150 nan 0.000 0.445 113 A N -0.886 121.927 122.820 -0.012 0.000 2.067 113 A HA 0.289 4.616 4.320 0.010 0.000 0.217 113 A C 2.266 179.925 177.584 0.125 0.000 1.156 113 A CA 1.454 53.511 52.037 0.033 0.000 0.683 113 A CB -1.003 17.854 19.000 -0.239 0.000 0.808 113 A HN 0.652 nan 8.150 nan 0.000 0.455 114 G N 0.504 109.328 108.800 0.040 0.000 2.404 114 G HA2 -0.164 3.802 3.960 0.010 0.000 0.215 114 G HA3 -0.164 3.802 3.960 0.010 0.000 0.215 114 G C 1.486 176.454 174.900 0.113 0.000 1.174 114 G CA 1.120 46.272 45.100 0.087 0.000 0.780 114 G HN 0.466 nan 8.290 nan 0.000 0.537 115 I N 0.274 120.894 120.570 0.084 0.000 2.226 115 I HA -0.199 3.977 4.170 0.010 0.000 0.245 115 I C 2.777 178.956 176.117 0.103 0.000 1.100 115 I CA 1.418 62.766 61.300 0.080 0.000 1.374 115 I CB -0.202 37.834 38.000 0.059 0.000 1.057 115 I HN 0.179 nan 8.210 nan 0.000 0.413 116 Q N 0.846 120.722 119.800 0.126 0.000 2.224 116 Q HA -0.233 4.113 4.340 0.010 0.000 0.203 116 Q C 1.768 177.867 176.000 0.165 0.000 0.970 116 Q CA 1.589 57.475 55.803 0.139 0.000 0.865 116 Q CB -0.288 28.537 28.738 0.145 0.000 0.922 116 Q HN 0.470 nan 8.270 nan 0.000 0.445 117 D N -1.408 119.117 120.400 0.209 0.000 2.194 117 D HA -0.085 4.561 4.640 0.010 0.000 0.204 117 D C 1.512 177.918 176.300 0.177 0.000 0.964 117 D CA 0.832 54.940 54.000 0.179 0.000 0.846 117 D CB 0.474 41.414 40.800 0.233 0.000 0.962 117 D HN 0.218 nan 8.370 nan 0.000 0.490 118 V N 1.205 121.203 119.914 0.141 0.000 2.427 118 V HA -0.215 3.912 4.120 0.010 0.000 0.248 118 V C 2.818 178.964 176.094 0.087 0.000 1.051 118 V CA 2.114 64.475 62.300 0.102 0.000 1.048 118 V CB -0.712 31.157 31.823 0.078 0.000 0.666 118 V HN 0.403 nan 8.190 nan 0.000 0.456 119 T N -1.559 113.052 114.554 0.096 0.000 2.708 119 T HA -0.331 4.026 4.350 0.010 0.000 0.266 119 T C 1.891 176.639 174.700 0.081 0.000 1.037 119 T CA 2.005 64.150 62.100 0.075 0.000 1.146 119 T CB -0.747 68.166 68.868 0.076 0.000 0.865 119 T HN 0.486 nan 8.240 nan 0.000 0.435 120 Y N 2.169 122.473 120.300 0.007 0.000 2.256 120 Y HA -0.128 4.428 4.550 0.010 0.000 0.288 120 Y C 2.647 178.543 175.900 -0.006 0.000 1.155 120 Y CA 1.490 59.585 58.100 -0.009 0.000 1.203 120 Y CB -0.454 37.987 38.460 -0.032 0.000 0.980 120 Y HN 0.307 nan 8.280 nan 0.000 0.530 121 Q N -0.797 118.995 119.800 -0.013 0.000 2.046 121 Q HA -0.156 4.190 4.340 0.010 0.000 0.200 121 Q C 2.133 178.064 176.000 -0.116 0.000 0.975 121 Q CA 2.322 58.077 55.803 -0.080 0.000 0.836 121 Q CB -0.284 28.470 28.738 0.028 0.000 0.896 121 Q HN 0.469 nan 8.270 nan 0.000 0.428 122 T N 1.435 115.953 114.554 -0.059 0.000 2.699 122 T HA -0.188 4.168 4.350 0.010 0.000 0.268 122 T C 1.132 175.781 174.700 -0.085 0.000 1.036 122 T CA 1.661 63.731 62.100 -0.051 0.000 1.147 122 T CB -0.389 68.468 68.868 -0.020 0.000 0.862 122 T HN 0.233 nan 8.240 nan 0.000 0.446 123 D N 1.044 121.367 120.400 -0.128 0.000 2.178 123 D HA -0.052 4.595 4.640 0.010 0.000 0.202 123 D C 2.368 178.555 176.300 -0.190 0.000 0.974 123 D CA 0.817 54.730 54.000 -0.144 0.000 0.841 123 D CB -0.317 40.398 40.800 -0.142 0.000 0.953 123 D HN 0.490 nan 8.370 nan 0.000 0.478 124 Q N 0.130 119.754 119.800 -0.293 0.000 2.084 124 Q HA -0.180 4.167 4.340 0.010 0.000 0.202 124 Q C 2.165 178.116 176.000 -0.083 0.000 0.978 124 Q CA 1.062 56.731 55.803 -0.222 0.000 0.844 124 Q CB -0.055 28.521 28.738 -0.269 0.000 0.898 124 Q HN 0.298 nan 8.270 nan 0.000 0.426 125 Q N -0.239 119.515 119.800 -0.078 0.000 2.061 125 Q HA -0.169 4.177 4.340 0.010 0.000 0.204 125 Q C 1.955 177.945 176.000 -0.017 0.000 0.984 125 Q CA 1.902 57.682 55.803 -0.037 0.000 0.846 125 Q CB 0.025 28.741 28.738 -0.037 0.000 0.902 125 Q HN 0.263 nan 8.270 nan 0.000 0.421 126 T N 0.778 115.315 114.554 -0.029 0.000 2.746 126 T HA -0.159 4.198 4.350 0.010 0.000 0.267 126 T C 1.605 176.307 174.700 0.003 0.000 1.039 126 T CA 1.199 63.291 62.100 -0.014 0.000 1.142 126 T CB -0.293 68.561 68.868 -0.023 0.000 0.866 126 T HN 0.244 nan 8.240 nan 0.000 0.444 127 L N 0.918 122.140 121.223 -0.003 0.000 2.042 127 L HA -0.025 4.322 4.340 0.010 0.000 0.210 127 L C 2.050 178.985 176.870 0.109 0.000 1.076 127 L CA 1.593 56.444 54.840 0.018 0.000 0.749 127 L CB -0.555 41.488 42.059 -0.027 0.000 0.893 127 L HN 0.291 nan 8.230 nan 0.000 0.432 128 I N -1.159 119.510 120.570 0.166 0.000 2.113 128 I HA -0.337 3.839 4.170 0.010 0.000 0.238 128 I C 2.492 178.656 176.117 0.079 0.000 1.070 128 I CA 1.587 62.998 61.300 0.186 0.000 1.332 128 I CB -0.497 37.522 38.000 0.030 0.000 1.044 128 I HN 0.260 nan 8.210 nan 0.000 0.402 129 L N 0.661 121.911 121.223 0.045 0.000 2.042 129 L HA -0.274 4.072 4.340 0.010 0.000 0.210 129 L C 2.362 179.264 176.870 0.054 0.000 1.076 129 L CA 1.663 56.529 54.840 0.044 0.000 0.749 129 L CB -0.428 41.649 42.059 0.031 0.000 0.893 129 L HN 0.349 nan 8.230 nan 0.000 0.432 130 N N -0.695 118.032 118.700 0.045 0.000 2.058 130 N HA -0.161 4.585 4.740 0.010 0.000 0.191 130 N C 1.702 177.236 175.510 0.040 0.000 1.037 130 N CA 2.030 55.103 53.050 0.038 0.000 0.848 130 N CB -0.768 37.732 38.487 0.021 0.000 1.021 130 N HN 0.279 nan 8.380 nan 0.000 0.422 131 T N 0.791 115.376 114.554 0.052 0.000 2.699 131 T HA -0.136 4.220 4.350 0.010 0.000 0.268 131 T C 1.923 176.621 174.700 -0.002 0.000 1.036 131 T CA 1.601 63.728 62.100 0.046 0.000 1.147 131 T CB -0.485 68.456 68.868 0.121 0.000 0.862 131 T HN 0.358 nan 8.240 nan 0.000 0.446 132 A N 0.923 123.729 122.820 -0.023 0.000 1.855 132 A HA -0.096 4.230 4.320 0.010 0.000 0.215 132 A C 2.555 180.130 177.584 -0.016 0.000 1.191 132 A CA 2.136 54.097 52.037 -0.127 0.000 0.613 132 A CB -1.437 17.569 19.000 0.010 0.000 0.829 132 A HN 0.433 nan 8.150 nan 0.000 0.442 133 T N -0.163 114.454 114.554 0.104 0.000 2.653 133 T HA -0.180 4.176 4.350 0.010 0.000 0.268 133 T C 2.002 176.756 174.700 0.090 0.000 1.035 133 T CA 2.296 64.482 62.100 0.143 0.000 1.154 133 T CB -0.420 68.508 68.868 0.099 0.000 0.862 133 T HN 0.585 nan 8.240 nan 0.000 0.441 134 A N -0.788 122.056 122.820 0.041 0.000 1.968 134 A HA 0.008 4.334 4.320 0.010 0.000 0.217 134 A C 2.056 179.631 177.584 -0.015 0.000 1.169 134 A CA 1.485 53.533 52.037 0.018 0.000 0.638 134 A CB -0.889 18.123 19.000 0.020 0.000 0.812 134 A HN 0.722 nan 8.150 nan 0.000 0.446 135 Y N -0.621 119.557 120.300 -0.204 0.000 2.200 135 Y HA -0.141 4.415 4.550 0.010 0.000 0.290 135 Y C 1.411 177.113 175.900 -0.330 0.000 1.137 135 Y CA 1.695 59.598 58.100 -0.328 0.000 1.163 135 Y CB -0.189 37.946 38.460 -0.541 0.000 0.988 135 Y HN 0.271 nan 8.280 nan 0.000 0.518 136 F N 0.218 120.199 119.950 0.053 0.000 2.811 136 F HA 0.005 4.538 4.527 0.010 0.000 0.301 136 F C 1.643 177.258 175.800 -0.308 0.000 1.151 136 F CA 0.118 58.015 58.000 -0.172 0.000 1.412 136 F CB -0.686 38.336 39.000 0.037 0.000 1.113 136 F HN 0.126 nan 8.300 nan 0.000 0.579 137 N N 0.159 118.820 118.700 -0.064 0.000 2.220 137 N HA -0.082 4.664 4.740 0.010 0.000 0.182 137 N C 2.241 177.652 175.510 -0.166 0.000 1.023 137 N CA 1.065 54.058 53.050 -0.096 0.000 0.856 137 N CB -0.631 37.831 38.487 -0.041 0.000 0.997 137 N HN 0.063 nan 8.380 nan 0.000 0.429 138 V N 1.920 121.718 119.914 -0.193 0.000 2.324 138 V HA -0.195 3.932 4.120 0.010 0.000 0.250 138 V C 2.348 178.293 176.094 -0.247 0.000 1.060 138 V CA 1.318 63.495 62.300 -0.206 0.000 1.042 138 V CB -0.597 31.082 31.823 -0.240 0.000 0.650 138 V HN 0.265 nan 8.190 nan 0.000 0.450 139 L N -0.335 120.676 121.223 -0.354 0.000 2.109 139 L HA -0.146 4.200 4.340 0.010 0.000 0.207 139 L C 2.354 179.019 176.870 -0.341 0.000 1.086 139 L CA 1.919 56.557 54.840 -0.337 0.000 0.760 139 L CB -0.649 41.202 42.059 -0.346 0.000 0.910 139 L HN 0.432 nan 8.230 nan 0.000 0.437 140 N N -0.243 118.174 118.700 -0.472 0.000 2.188 140 N HA -0.137 4.609 4.740 0.010 0.000 0.184 140 N C 1.901 177.338 175.510 -0.122 0.000 1.018 140 N CA 1.018 53.917 53.050 -0.252 0.000 0.858 140 N CB 0.051 38.411 38.487 -0.211 0.000 0.989 140 N HN 0.279 nan 8.380 nan 0.000 0.426 141 A N 0.713 123.455 122.820 -0.129 0.000 1.908 141 A HA -0.142 4.185 4.320 0.010 0.000 0.218 141 A C 2.095 179.624 177.584 -0.091 0.000 1.181 141 A CA 1.087 53.071 52.037 -0.089 0.000 0.627 141 A CB -0.708 18.242 19.000 -0.083 0.000 0.818 141 A HN 0.348 nan 8.150 nan 0.000 0.445 142 I N -0.129 120.373 120.570 -0.112 0.000 2.286 142 I HA -0.234 3.943 4.170 0.010 0.000 0.248 142 I C 1.729 177.758 176.117 -0.147 0.000 1.115 142 I CA 1.460 62.694 61.300 -0.110 0.000 1.392 142 I CB -0.331 37.608 38.000 -0.103 0.000 1.065 142 I HN 0.260 nan 8.210 nan 0.000 0.418 143 D N 0.183 120.484 120.400 -0.164 0.000 2.144 143 D HA -0.113 4.533 4.640 0.010 0.000 0.200 143 D C 2.342 178.478 176.300 -0.274 0.000 0.978 143 D CA 1.055 54.865 54.000 -0.316 0.000 0.833 143 D CB -0.293 40.391 40.800 -0.193 0.000 0.961 143 D HN 0.145 nan 8.370 nan 0.000 0.470 144 V N 0.990 120.856 119.914 -0.079 0.000 2.427 144 V HA -0.175 3.951 4.120 0.010 0.000 0.248 144 V C 2.354 178.441 176.094 -0.011 0.000 1.051 144 V CA 0.848 63.155 62.300 0.012 0.000 1.048 144 V CB -0.342 31.489 31.823 0.014 0.000 0.666 144 V HN 0.116 nan 8.190 nan 0.000 0.456 145 L N -0.103 121.085 121.223 -0.057 0.000 1.988 145 L HA -0.099 4.248 4.340 0.010 0.000 0.207 145 L C 2.611 179.450 176.870 -0.051 0.000 1.071 145 L CA 2.149 56.957 54.840 -0.053 0.000 0.744 145 L CB -0.914 41.108 42.059 -0.061 0.000 0.893 145 L HN 0.242 nan 8.230 nan 0.000 0.433 146 S N -1.257 114.384 115.700 -0.099 0.000 2.389 146 S HA -0.270 4.206 4.470 0.010 0.000 0.229 146 S C 1.918 176.545 174.600 0.046 0.000 1.048 146 S CA 1.989 60.137 58.200 -0.086 0.000 1.117 146 S CB -0.587 62.483 63.200 -0.217 0.000 1.020 146 S HN 0.514 nan 8.310 nan 0.000 0.430 147 Y N 1.892 122.230 120.300 0.063 0.000 2.256 147 Y HA -0.097 4.459 4.550 0.010 0.000 0.288 147 Y C 2.894 178.754 175.900 -0.067 0.000 1.155 147 Y CA 0.911 59.087 58.100 0.127 0.000 1.203 147 Y CB -1.632 36.949 38.460 0.202 0.000 0.980 147 Y HN 0.277 nan 8.280 nan 0.000 0.530 148 T N 0.243 114.839 114.554 0.070 0.000 2.701 148 T HA -0.193 4.163 4.350 0.010 0.000 0.263 148 T C 1.787 176.412 174.700 -0.123 0.000 1.040 148 T CA 1.651 63.714 62.100 -0.061 0.000 1.147 148 T CB -0.301 68.538 68.868 -0.049 0.000 0.865 148 T HN 0.545 nan 8.240 nan 0.000 0.426 149 Q N 0.899 120.654 119.800 -0.075 0.000 2.435 149 Q HA 0.255 4.601 4.340 0.010 0.000 0.207 149 Q C 2.242 178.204 176.000 -0.064 0.000 0.956 149 Q CA 0.884 56.641 55.803 -0.077 0.000 0.917 149 Q CB -0.277 28.430 28.738 -0.052 0.000 0.997 149 Q HN 0.490 nan 8.270 nan 0.000 0.497 150 A N 1.279 124.062 122.820 -0.061 0.000 1.930 150 A HA -0.147 4.180 4.320 0.010 0.000 0.215 150 A C 2.120 179.518 177.584 -0.310 0.000 1.176 150 A CA 1.022 53.032 52.037 -0.044 0.000 0.632 150 A CB -0.347 18.774 19.000 0.200 0.000 0.819 150 A HN 0.372 nan 8.150 nan 0.000 0.445 151 Q N -0.086 119.316 119.800 -0.663 0.000 2.079 151 Q HA -0.196 4.150 4.340 0.010 0.000 0.200 151 Q C 2.170 178.004 176.000 -0.277 0.000 0.974 151 Q CA 1.778 57.149 55.803 -0.721 0.000 0.840 151 Q CB -0.151 28.177 28.738 -0.682 0.000 0.898 151 Q HN 0.681 nan 8.270 nan 0.000 0.430 152 K N 0.614 120.892 120.400 -0.204 0.000 2.009 152 K HA -0.239 4.088 4.320 0.010 0.000 0.210 152 K C 1.890 178.524 176.600 0.056 0.000 1.049 152 K CA 1.994 58.206 56.287 -0.126 0.000 0.929 152 K CB -0.102 32.291 32.500 -0.179 0.000 0.714 152 K HN 0.229 nan 8.250 nan 0.000 0.440 153 E N 0.150 120.372 120.200 0.036 0.000 2.204 153 E HA -0.116 4.241 4.350 0.010 0.000 0.194 153 E C 1.589 178.286 176.600 0.161 0.000 0.989 153 E CA 1.257 57.732 56.400 0.125 0.000 0.824 153 E CB -0.215 29.533 29.700 0.080 0.000 0.756 153 E HN 0.352 nan 8.360 nan 0.000 0.477 154 A N 1.193 124.063 122.820 0.084 0.000 1.897 154 A HA 0.037 4.363 4.320 0.010 0.000 0.215 154 A C 2.312 179.954 177.584 0.095 0.000 1.181 154 A CA 1.166 53.253 52.037 0.084 0.000 0.620 154 A CB -0.582 18.455 19.000 0.061 0.000 0.821 154 A HN 0.310 nan 8.150 nan 0.000 0.443 155 I N -1.726 118.912 120.570 0.114 0.000 2.361 155 I HA -0.245 3.931 4.170 0.010 0.000 0.251 155 I C 2.391 178.630 176.117 0.202 0.000 1.133 155 I CA 1.337 62.726 61.300 0.148 0.000 1.413 155 I CB -0.280 37.837 38.000 0.195 0.000 1.073 155 I HN 0.505 nan 8.210 nan 0.000 0.424 156 Y N 1.704 122.077 120.300 0.121 0.000 2.242 156 Y HA -0.173 4.383 4.550 0.010 0.000 0.291 156 Y C 2.607 178.496 175.900 -0.018 0.000 1.137 156 Y CA 1.350 59.443 58.100 -0.012 0.000 1.181 156 Y CB -0.284 38.207 38.460 0.053 0.000 0.989 156 Y HN -0.035 nan 8.280 nan 0.000 0.527 157 R N -0.195 120.316 120.500 0.018 0.000 2.080 157 R HA -0.218 4.128 4.340 0.010 0.000 0.236 157 R C 2.250 178.524 176.300 -0.042 0.000 1.137 157 R CA 2.307 58.384 56.100 -0.039 0.000 0.943 157 R CB -0.287 30.039 30.300 0.044 0.000 0.846 157 R HN 0.445 nan 8.270 nan 0.000 0.431 158 Q N -0.031 119.760 119.800 -0.015 0.000 2.230 158 Q HA -0.109 4.238 4.340 0.010 0.000 0.202 158 Q C 1.980 177.971 176.000 -0.014 0.000 0.963 158 Q CA 0.760 56.552 55.803 -0.019 0.000 0.866 158 Q CB -0.001 28.620 28.738 -0.195 0.000 0.931 158 Q HN 0.221 nan 8.270 nan 0.000 0.452 159 L N 1.155 122.331 121.223 -0.077 0.000 2.044 159 L HA -0.177 4.170 4.340 0.010 0.000 0.205 159 L C 2.070 178.849 176.870 -0.152 0.000 1.075 159 L CA 1.860 56.631 54.840 -0.114 0.000 0.747 159 L CB -0.464 41.489 42.059 -0.177 0.000 0.903 159 L HN 0.229 nan 8.230 nan 0.000 0.435 160 D N -0.664 119.568 120.400 -0.280 0.000 2.092 160 D HA -0.318 4.329 4.640 0.010 0.000 0.193 160 D C 1.927 178.168 176.300 -0.099 0.000 0.994 160 D CA 2.086 55.920 54.000 -0.277 0.000 0.828 160 D CB -0.101 40.459 40.800 -0.401 0.000 0.963 160 D HN 0.750 nan 8.370 nan 0.000 0.450 161 Q N -0.348 119.438 119.800 -0.022 0.000 2.297 161 Q HA -0.043 4.303 4.340 0.010 0.000 0.204 161 Q C 1.904 177.950 176.000 0.076 0.000 0.962 161 Q CA 1.339 57.162 55.803 0.034 0.000 0.879 161 Q CB -0.264 28.508 28.738 0.058 0.000 0.947 161 Q HN 0.064 nan 8.270 nan 0.000 0.462 162 T N 0.965 115.603 114.554 0.141 0.000 2.737 162 T HA -0.114 4.242 4.350 0.010 0.000 0.265 162 T C 1.736 176.503 174.700 0.112 0.000 1.038 162 T CA 1.772 63.967 62.100 0.158 0.000 1.144 162 T CB -0.454 68.509 68.868 0.158 0.000 0.866 162 T HN 0.465 nan 8.240 nan 0.000 0.434 163 T N 3.070 117.661 114.554 0.061 0.000 2.635 163 T HA -0.212 4.144 4.350 0.010 0.000 0.267 163 T C 2.092 176.878 174.700 0.144 0.000 1.040 163 T CA 1.770 63.927 62.100 0.095 0.000 1.156 163 T CB -0.447 68.433 68.868 0.021 0.000 0.863 163 T HN 0.683 nan 8.240 nan 0.000 0.430 164 Q N 0.605 120.443 119.800 0.062 0.000 2.435 164 Q HA 0.068 4.414 4.340 0.010 0.000 0.207 164 Q C 2.152 178.165 176.000 0.021 0.000 0.956 164 Q CA 0.680 56.503 55.803 0.033 0.000 0.917 164 Q CB -0.164 28.573 28.738 -0.002 0.000 0.997 164 Q HN 0.420 nan 8.270 nan 0.000 0.497 165 R N -0.227 120.298 120.500 0.041 0.000 2.100 165 R HA -0.004 4.342 4.340 0.010 0.000 0.220 165 R C 1.907 178.246 176.300 0.065 0.000 1.091 165 R CA 1.138 57.251 56.100 0.021 0.000 0.986 165 R CB -0.200 30.099 30.300 -0.002 0.000 0.888 165 R HN 0.280 nan 8.270 nan 0.000 0.444 166 F N 2.380 122.319 119.950 -0.017 0.000 2.234 166 F HA -0.077 4.456 4.527 0.011 0.000 0.299 166 F C 1.615 177.406 175.800 -0.014 0.000 1.087 166 F CA 1.098 59.092 58.000 -0.010 0.000 1.340 166 F CB -0.148 38.850 39.000 -0.002 0.000 1.031 166 F HN -0.104 nan 8.300 nan 0.000 0.500 167 N N 0.382 119.012 118.700 -0.116 0.000 2.149 167 N HA -0.162 4.584 4.740 0.010 0.000 0.188 167 N C 1.709 177.091 175.510 -0.214 0.000 1.019 167 N CA 1.475 54.408 53.050 -0.194 0.000 0.857 167 N CB -0.577 37.879 38.487 -0.052 0.000 0.997 167 N HN 0.308 nan 8.380 nan 0.000 0.426 168 V N -0.326 119.501 119.914 -0.145 0.000 3.514 168 V HA 0.265 4.391 4.120 0.010 0.000 0.301 168 V C 0.859 176.876 176.094 -0.128 0.000 1.346 168 V CA 0.714 62.944 62.300 -0.117 0.000 1.156 168 V CB -0.604 31.175 31.823 -0.074 0.000 1.029 168 V HN 0.495 nan 8.190 nan 0.000 0.428 169 G N 0.207 108.892 108.800 -0.191 0.000 2.147 169 G HA2 -0.262 3.704 3.960 0.010 0.000 0.244 169 G HA3 -0.262 3.704 3.960 0.010 0.000 0.244 169 G C 0.602 175.461 174.900 -0.068 0.000 1.005 169 G CA 0.614 45.612 45.100 -0.170 0.000 0.713 169 G HN 0.510 nan 8.290 nan 0.000 0.515 170 L N -0.982 120.220 121.223 -0.035 0.000 2.446 170 L HA 0.277 4.624 4.340 0.010 0.000 0.219 170 L C 0.823 177.720 176.870 0.045 0.000 1.116 170 L CA 0.439 55.276 54.840 -0.004 0.000 0.844 170 L CB 0.374 42.419 42.059 -0.023 0.000 0.970 170 L HN 0.169 nan 8.230 nan 0.000 0.457 171 V N 0.354 120.336 119.914 0.113 0.000 2.487 171 V HA 0.518 4.644 4.120 0.010 0.000 0.298 171 V C 0.221 176.483 176.094 0.280 0.000 1.028 171 V CA -1.026 61.381 62.300 0.178 0.000 0.860 171 V CB 1.631 33.576 31.823 0.203 0.000 0.991 171 V HN 0.123 nan 8.190 nan 0.000 0.427 172 A N 4.202 127.128 122.820 0.176 0.000 2.477 172 A HA 0.347 4.673 4.320 0.010 0.000 0.246 172 A C 1.323 178.974 177.584 0.112 0.000 1.078 172 A CA -0.000 52.136 52.037 0.166 0.000 0.770 172 A CB -0.025 19.028 19.000 0.089 0.000 1.011 172 A HN 0.987 nan 8.150 nan 0.000 0.494 173 I N 2.271 122.902 120.570 0.103 0.000 2.236 173 I HA -0.322 3.854 4.170 0.010 0.000 0.249 173 I C 2.590 178.596 176.117 -0.185 0.000 1.102 173 I CA 2.429 63.596 61.300 -0.223 0.000 1.365 173 I CB -0.025 37.904 38.000 -0.119 0.000 1.051 173 I HN 0.929 nan 8.210 nan 0.000 0.420 174 T N -1.885 112.630 114.554 -0.066 0.000 2.665 174 T HA -0.272 4.084 4.350 0.010 0.000 0.268 174 T C 1.639 176.305 174.700 -0.056 0.000 1.035 174 T CA 1.733 63.803 62.100 -0.050 0.000 1.151 174 T CB -0.733 68.127 68.868 -0.014 0.000 0.862 174 T HN 0.419 nan 8.240 nan 0.000 0.438 175 D N 1.208 121.585 120.400 -0.038 0.000 2.133 175 D HA -0.097 4.549 4.640 0.010 0.000 0.195 175 D C 2.349 178.616 176.300 -0.055 0.000 0.997 175 D CA 1.560 55.549 54.000 -0.019 0.000 0.840 175 D CB -0.187 40.631 40.800 0.031 0.000 0.947 175 D HN 0.392 nan 8.370 nan 0.000 0.452 176 V N 1.320 121.153 119.914 -0.136 0.000 2.379 176 V HA -0.192 3.934 4.120 0.010 0.000 0.245 176 V C 2.484 178.494 176.094 -0.140 0.000 1.044 176 V CA 1.214 63.408 62.300 -0.177 0.000 1.036 176 V CB -0.523 31.073 31.823 -0.378 0.000 0.664 176 V HN 0.069 nan 8.190 nan 0.000 0.453 177 Q N 0.376 120.088 119.800 -0.146 0.000 2.124 177 Q HA -0.178 4.168 4.340 0.010 0.000 0.202 177 Q C 2.271 178.242 176.000 -0.049 0.000 0.977 177 Q CA 1.416 57.163 55.803 -0.094 0.000 0.850 177 Q CB -0.772 27.914 28.738 -0.086 0.000 0.901 177 Q HN 0.660 nan 8.270 nan 0.000 0.429 178 N N 0.569 119.244 118.700 -0.043 0.000 2.058 178 N HA -0.131 4.615 4.740 0.010 0.000 0.191 178 N C 1.669 177.174 175.510 -0.009 0.000 1.037 178 N CA 1.533 54.571 53.050 -0.021 0.000 0.848 178 N CB -0.003 38.472 38.487 -0.019 0.000 1.021 178 N HN 0.192 nan 8.380 nan 0.000 0.422 179 A N 1.325 124.135 122.820 -0.017 0.000 1.873 179 A HA -0.199 4.127 4.320 0.010 0.000 0.218 179 A C 2.304 179.911 177.584 0.039 0.000 1.193 179 A CA 2.025 54.062 52.037 -0.001 0.000 0.629 179 A CB -0.748 18.239 19.000 -0.023 0.000 0.826 179 A HN 0.398 nan 8.150 nan 0.000 0.447 180 R N -0.039 120.470 120.500 0.014 0.000 2.120 180 R HA -0.006 4.340 4.340 0.010 0.000 0.234 180 R C 2.059 178.415 176.300 0.093 0.000 1.123 180 R CA 1.746 57.874 56.100 0.048 0.000 0.975 180 R CB -0.655 29.642 30.300 -0.004 0.000 0.866 180 R HN 0.425 nan 8.270 nan 0.000 0.446 181 A N 0.226 123.074 122.820 0.048 0.000 1.855 181 A HA -0.189 4.138 4.320 0.010 0.000 0.215 181 A C 2.099 179.712 177.584 0.048 0.000 1.191 181 A CA 1.550 53.611 52.037 0.039 0.000 0.613 181 A CB -0.574 18.433 19.000 0.013 0.000 0.829 181 A HN 0.511 nan 8.150 nan 0.000 0.442 182 Q N -2.156 117.673 119.800 0.048 0.000 2.124 182 Q HA -0.197 4.149 4.340 0.010 0.000 0.202 182 Q C 1.938 177.970 176.000 0.055 0.000 0.977 182 Q CA 1.748 57.573 55.803 0.036 0.000 0.850 182 Q CB -0.314 28.439 28.738 0.025 0.000 0.901 182 Q HN 0.825 nan 8.270 nan 0.000 0.429 183 Y N 1.562 121.854 120.300 -0.013 0.000 2.224 183 Y HA -0.252 4.304 4.550 0.011 0.000 0.289 183 Y C 1.560 177.452 175.900 -0.014 0.000 1.146 183 Y CA 1.630 59.727 58.100 -0.005 0.000 1.182 183 Y CB 0.095 38.571 38.460 0.027 0.000 0.983 183 Y HN 0.107 nan 8.280 nan 0.000 0.524 184 D N -1.065 119.384 120.400 0.082 0.000 2.183 184 D HA -0.121 4.526 4.640 0.010 0.000 0.203 184 D C 2.065 178.322 176.300 -0.071 0.000 0.969 184 D CA 1.670 55.672 54.000 0.005 0.000 0.842 184 D CB -0.276 40.560 40.800 0.061 0.000 0.957 184 D HN 0.386 nan 8.370 nan 0.000 0.484 185 T N 0.453 114.971 114.554 -0.060 0.000 2.746 185 T HA -0.090 4.266 4.350 0.010 0.000 0.267 185 T C 2.264 176.896 174.700 -0.114 0.000 1.039 185 T CA 0.662 62.721 62.100 -0.068 0.000 1.142 185 T CB -0.325 68.516 68.868 -0.046 0.000 0.866 185 T HN -0.008 nan 8.240 nan 0.000 0.444 186 V N 1.452 121.263 119.914 -0.171 0.000 2.515 186 V HA -0.067 4.059 4.120 0.010 0.000 0.250 186 V C 2.445 178.386 176.094 -0.255 0.000 1.058 186 V CA 1.225 63.395 62.300 -0.215 0.000 1.064 186 V CB -0.701 30.965 31.823 -0.260 0.000 0.675 186 V HN 0.438 nan 8.190 nan 0.000 0.461 187 L N 0.106 121.135 121.223 -0.322 0.000 2.083 187 L HA -0.141 4.205 4.340 0.010 0.000 0.209 187 L C 2.673 179.455 176.870 -0.147 0.000 1.083 187 L CA 1.531 56.218 54.840 -0.255 0.000 0.752 187 L CB -0.718 41.194 42.059 -0.245 0.000 0.899 187 L HN 0.358 nan 8.230 nan 0.000 0.433 188 A N 0.011 122.760 122.820 -0.118 0.000 1.968 188 A HA -0.159 4.167 4.320 0.010 0.000 0.217 188 A C 2.023 179.563 177.584 -0.073 0.000 1.169 188 A CA 1.529 53.519 52.037 -0.078 0.000 0.638 188 A CB -0.415 18.549 19.000 -0.060 0.000 0.812 188 A HN 0.403 nan 8.150 nan 0.000 0.446 189 N N 0.019 118.668 118.700 -0.085 0.000 2.142 189 N HA -0.126 4.620 4.740 0.010 0.000 0.186 189 N C 1.584 177.050 175.510 -0.074 0.000 1.023 189 N CA 1.229 54.236 53.050 -0.072 0.000 0.852 189 N CB -0.459 37.983 38.487 -0.074 0.000 0.998 189 N HN 0.636 nan 8.380 nan 0.000 0.424 190 E N 0.361 120.502 120.200 -0.098 0.000 2.401 190 E HA -0.144 4.212 4.350 0.010 0.000 0.199 190 E C 1.648 178.204 176.600 -0.073 0.000 1.023 190 E CA 0.313 56.658 56.400 -0.092 0.000 0.859 190 E CB 0.044 29.672 29.700 -0.120 0.000 0.780 190 E HN 0.220 nan 8.360 nan 0.000 0.523 191 L N 0.121 121.303 121.223 -0.068 0.000 2.084 191 L HA -0.098 4.248 4.340 0.010 0.000 0.202 191 L C 2.519 179.362 176.870 -0.045 0.000 1.074 191 L CA 1.883 56.691 54.840 -0.054 0.000 0.757 191 L CB -0.455 41.574 42.059 -0.051 0.000 0.918 191 L HN 0.096 nan 8.230 nan 0.000 0.444 192 T N -2.050 112.479 114.554 -0.042 0.000 2.929 192 T HA -0.095 4.262 4.350 0.010 0.000 0.271 192 T C 1.790 176.470 174.700 -0.032 0.000 1.085 192 T CA 0.897 62.977 62.100 -0.033 0.000 1.125 192 T CB -0.711 68.140 68.868 -0.029 0.000 0.874 192 T HN 0.374 nan 8.240 nan 0.000 0.494 193 A N 2.085 124.883 122.820 -0.037 0.000 1.929 193 A HA 0.078 4.404 4.320 0.010 0.000 0.216 193 A C 2.412 179.973 177.584 -0.039 0.000 1.176 193 A CA 1.515 53.530 52.037 -0.036 0.000 0.628 193 A CB -0.543 18.435 19.000 -0.037 0.000 0.816 193 A HN 0.449 nan 8.150 nan 0.000 0.444 194 R N 0.748 121.223 120.500 -0.041 0.000 2.090 194 R HA -0.077 4.269 4.340 0.010 0.000 0.228 194 R C 1.740 178.019 176.300 -0.036 0.000 1.110 194 R CA 1.997 58.072 56.100 -0.041 0.000 0.973 194 R CB -1.011 29.263 30.300 -0.043 0.000 0.869 194 R HN 0.493 nan 8.270 nan 0.000 0.440 195 N N 0.408 119.088 118.700 -0.033 0.000 2.166 195 N HA -0.136 4.610 4.740 0.010 0.000 0.186 195 N C 1.052 176.548 175.510 -0.024 0.000 1.019 195 N CA 1.688 54.722 53.050 -0.027 0.000 0.856 195 N CB -0.253 38.218 38.487 -0.025 0.000 0.993 195 N HN 0.303 nan 8.380 nan 0.000 0.426 196 N N 0.283 118.967 118.700 -0.025 0.000 2.084 196 N HA -0.128 4.619 4.740 0.010 0.000 0.190 196 N C 1.578 177.071 175.510 -0.027 0.000 1.030 196 N CA 0.694 53.729 53.050 -0.024 0.000 0.849 196 N CB -0.707 37.765 38.487 -0.025 0.000 1.012 196 N HN 0.268 nan 8.380 nan 0.000 0.423 197 L N 1.596 122.798 121.223 -0.034 0.000 2.083 197 L HA -0.126 4.221 4.340 0.010 0.000 0.209 197 L C 1.311 178.166 176.870 -0.026 0.000 1.083 197 L CA 1.841 56.657 54.840 -0.039 0.000 0.752 197 L CB -0.791 41.240 42.059 -0.047 0.000 0.899 197 L HN -0.008 nan 8.230 nan 0.000 0.433 198 D N -0.479 119.907 120.400 -0.024 0.000 2.117 198 D HA -0.156 4.490 4.640 0.010 0.000 0.197 198 D C 1.904 178.203 176.300 -0.001 0.000 0.987 198 D CA 1.127 55.116 54.000 -0.018 0.000 0.829 198 D CB -0.136 40.649 40.800 -0.026 0.000 0.961 198 D HN 0.391 nan 8.370 nan 0.000 0.460 199 N N 0.309 119.007 118.700 -0.003 0.000 2.171 199 N HA -0.039 4.708 4.740 0.010 0.000 0.184 199 N C 1.678 177.195 175.510 0.012 0.000 1.021 199 N CA 1.094 54.148 53.050 0.007 0.000 0.854 199 N CB -0.431 38.056 38.487 -0.000 0.000 0.994 199 N HN 0.100 nan 8.380 nan 0.000 0.426 200 A N 0.788 123.607 122.820 -0.002 0.000 2.024 200 A HA -0.086 4.240 4.320 0.010 0.000 0.220 200 A C 2.443 180.032 177.584 0.009 0.000 1.164 200 A CA 1.134 53.166 52.037 -0.008 0.000 0.643 200 A CB -0.685 18.295 19.000 -0.034 0.000 0.806 200 A HN 0.103 nan 8.150 nan 0.000 0.451 201 V N 0.304 120.236 119.914 0.030 0.000 2.261 201 V HA -0.210 3.916 4.120 0.010 0.000 0.246 201 V C 2.495 178.661 176.094 0.120 0.000 1.047 201 V CA 2.087 64.438 62.300 0.085 0.000 1.015 201 V CB -0.663 31.221 31.823 0.102 0.000 0.642 201 V HN 0.552 nan 8.190 nan 0.000 0.446 202 E N -0.186 120.087 120.200 0.122 0.000 2.204 202 E HA -0.217 4.139 4.350 0.010 0.000 0.195 202 E C 2.283 178.907 176.600 0.040 0.000 0.990 202 E CA 0.957 57.433 56.400 0.127 0.000 0.821 202 E CB -0.246 29.515 29.700 0.102 0.000 0.750 202 E HN 0.646 nan 8.360 nan 0.000 0.477 203 Q N 0.501 120.316 119.800 0.026 0.000 2.016 203 Q HA -0.068 4.278 4.340 0.010 0.000 0.200 203 Q C 2.471 178.471 176.000 -0.000 0.000 0.978 203 Q CA 0.616 56.423 55.803 0.007 0.000 0.833 203 Q CB -0.434 28.308 28.738 0.006 0.000 0.895 203 Q HN 0.318 nan 8.270 nan 0.000 0.427 204 L N 0.898 122.129 121.223 0.015 0.000 2.127 204 L HA -0.176 4.170 4.340 0.010 0.000 0.211 204 L C 2.666 179.534 176.870 -0.003 0.000 1.089 204 L CA 1.115 55.977 54.840 0.037 0.000 0.757 204 L CB -0.198 41.918 42.059 0.094 0.000 0.899 204 L HN 0.198 nan 8.230 nan 0.000 0.434 205 R N 0.437 120.877 120.500 -0.100 0.000 2.153 205 R HA -0.170 4.176 4.340 0.010 0.000 0.218 205 R C 2.041 178.219 176.300 -0.203 0.000 1.072 205 R CA 1.519 57.446 56.100 -0.289 0.000 0.990 205 R CB -0.102 29.781 30.300 -0.695 0.000 0.889 205 R HN 0.655 nan 8.270 nan 0.000 0.452 206 Q N -0.614 119.119 119.800 -0.113 0.000 2.432 206 Q HA 0.029 4.376 4.340 0.010 0.000 0.205 206 Q C 1.603 177.566 176.000 -0.061 0.000 0.945 206 Q CA 0.702 56.456 55.803 -0.081 0.000 0.924 206 Q CB 0.101 28.811 28.738 -0.048 0.000 1.016 206 Q HN 0.322 nan 8.270 nan 0.000 0.503 207 I N 0.528 121.068 120.570 -0.050 0.000 2.364 207 I HA -0.125 4.052 4.170 0.010 0.000 0.241 207 I C 1.827 177.911 176.117 -0.054 0.000 1.082 207 I CA 1.295 62.570 61.300 -0.041 0.000 1.401 207 I CB -0.234 37.754 38.000 -0.019 0.000 1.126 207 I HN 0.231 nan 8.210 nan 0.000 0.429 208 T N -0.181 114.350 114.554 -0.038 0.000 2.698 208 T HA 0.056 4.412 4.350 0.010 0.000 0.260 208 T C 1.497 176.153 174.700 -0.073 0.000 1.044 208 T CA 1.518 63.605 62.100 -0.021 0.000 1.149 208 T CB -0.235 68.704 68.868 0.118 0.000 0.864 208 T HN 0.637 nan 8.240 nan 0.000 0.419 209 G N 1.149 109.863 108.800 -0.144 0.000 2.229 209 G HA2 -0.140 3.826 3.960 0.010 0.000 0.189 209 G HA3 -0.140 3.826 3.960 0.010 0.000 0.189 209 G C -0.157 174.564 174.900 -0.297 0.000 1.000 209 G CA -0.449 44.538 45.100 -0.188 0.000 0.663 209 G HN 0.465 nan 8.290 nan 0.000 0.493 210 N N -0.293 118.164 118.700 -0.405 0.000 2.262 210 N HA 0.585 5.331 4.740 0.010 0.000 0.295 210 N C -1.369 173.589 175.510 -0.920 0.000 1.161 210 N CA -0.494 52.199 53.050 -0.597 0.000 0.767 210 N CB 1.402 39.556 38.487 -0.555 0.000 1.499 210 N HN 0.060 nan 8.380 nan 0.000 0.476 211 Y N 0.516 120.501 120.300 -0.526 0.000 2.299 211 Y HA 0.301 4.857 4.550 0.011 0.000 0.326 211 Y C -0.342 175.210 175.900 -0.580 0.000 1.164 211 Y CA -0.056 57.783 58.100 -0.434 0.000 1.234 211 Y CB 0.650 38.989 38.460 -0.202 0.000 1.219 211 Y HN 0.363 nan 8.280 nan 0.000 0.497 212 Y N 3.824 124.214 120.300 0.149 0.000 2.447 212 Y HA 0.283 4.840 4.550 0.010 0.000 0.325 212 Y C -1.669 174.265 175.900 0.055 0.000 0.976 212 Y CA -2.975 55.172 58.100 0.077 0.000 1.280 212 Y CB 1.077 39.567 38.460 0.050 0.000 1.104 212 Y HN 0.460 nan 8.280 nan 0.000 0.486 213 P HA -0.115 nan 4.420 nan 0.000 0.220 213 P C -0.424 176.925 177.300 0.080 0.000 1.148 213 P CA 1.268 64.422 63.100 0.091 0.000 0.803 213 P CB 0.977 32.717 31.700 0.068 0.000 0.782 214 E N -1.345 118.918 120.200 0.106 0.000 2.413 214 E HA 0.636 4.993 4.350 0.010 0.000 0.277 214 E C -0.993 175.645 176.600 0.063 0.000 0.958 214 E CA -0.755 55.685 56.400 0.066 0.000 0.779 214 E CB 2.074 31.807 29.700 0.054 0.000 1.278 214 E HN -0.119 nan 8.360 nan 0.000 0.456 215 L N 0.835 122.069 121.223 0.018 0.000 2.434 215 L HA 0.677 5.023 4.340 0.010 0.000 0.260 215 L C -0.783 176.116 176.870 0.049 0.000 0.983 215 L CA -1.273 53.570 54.840 0.004 0.000 0.820 215 L CB 2.036 44.001 42.059 -0.156 0.000 1.361 215 L HN 0.650 nan 8.230 nan 0.000 0.410 216 A N 1.914 124.816 122.820 0.137 0.000 2.438 216 A HA 0.615 4.941 4.320 0.010 0.000 0.280 216 A C 0.340 178.049 177.584 0.209 0.000 1.160 216 A CA -0.000 52.132 52.037 0.159 0.000 0.821 216 A CB 0.092 19.189 19.000 0.162 0.000 1.101 216 A HN 0.725 nan 8.150 nan 0.000 0.515 217 A N 2.707 125.617 122.820 0.149 0.000 2.304 217 A HA 0.546 4.872 4.320 0.010 0.000 0.271 217 A C 0.366 178.082 177.584 0.219 0.000 1.091 217 A CA -0.599 51.547 52.037 0.182 0.000 0.812 217 A CB 0.246 19.313 19.000 0.111 0.000 1.056 217 A HN 1.194 nan 8.150 nan 0.000 0.489 218 L N 1.522 122.906 121.223 0.268 0.000 2.562 218 L HA 0.012 4.358 4.340 0.010 0.000 0.271 218 L C 0.426 177.353 176.870 0.094 0.000 1.167 218 L CA 0.001 54.951 54.840 0.183 0.000 0.917 218 L CB -0.216 41.865 42.059 0.037 0.000 1.187 218 L HN 0.845 nan 8.230 nan 0.000 0.482 219 N N 3.066 121.833 118.700 0.112 0.000 2.405 219 N HA 0.088 4.834 4.740 0.010 0.000 0.260 219 N C 1.062 176.618 175.510 0.076 0.000 1.152 219 N CA -0.327 52.772 53.050 0.081 0.000 0.948 219 N CB 1.076 39.614 38.487 0.085 0.000 1.111 219 N HN 0.523 nan 8.380 nan 0.000 0.485 220 V N 1.014 120.939 119.914 0.017 0.000 2.871 220 V HA -0.049 4.077 4.120 0.010 0.000 0.256 220 V C 1.774 177.891 176.094 0.039 0.000 1.082 220 V CA 1.099 63.383 62.300 -0.026 0.000 1.105 220 V CB -0.694 31.068 31.823 -0.102 0.000 0.713 220 V HN 0.717 nan 8.190 nan 0.000 0.473 221 E N 2.696 122.923 120.200 0.044 0.000 2.077 221 E HA -0.193 4.163 4.350 0.010 0.000 0.193 221 E C 0.963 177.599 176.600 0.060 0.000 0.989 221 E CA 1.444 57.870 56.400 0.042 0.000 0.800 221 E CB -0.046 29.674 29.700 0.033 0.000 0.746 221 E HN 0.900 nan 8.360 nan 0.000 0.452 222 N N 0.318 119.066 118.700 0.079 0.000 2.761 222 N HA -0.008 4.738 4.740 0.010 0.000 0.317 222 N C -1.200 174.371 175.510 0.102 0.000 1.546 222 N CA -0.313 52.779 53.050 0.070 0.000 1.015 222 N CB -0.237 38.277 38.487 0.044 0.000 1.343 222 N HN -0.028 nan 8.380 nan 0.000 0.504 223 F N 2.357 122.282 119.950 -0.043 0.000 2.368 223 F HA 0.322 4.856 4.527 0.010 0.000 0.362 223 F C 0.095 175.845 175.800 -0.083 0.000 1.137 223 F CA -0.903 57.057 58.000 -0.068 0.000 1.161 223 F CB 0.558 39.494 39.000 -0.106 0.000 1.265 223 F HN -0.041 nan 8.300 nan 0.000 0.530 224 K N 2.945 123.069 120.400 -0.461 0.000 2.218 224 K HA 0.326 4.652 4.320 0.010 0.000 0.276 224 K C 0.288 176.528 176.600 -0.600 0.000 1.022 224 K CA -0.530 55.533 56.287 -0.374 0.000 0.946 224 K CB 1.320 33.697 32.500 -0.204 0.000 1.000 224 K HN 0.480 nan 8.250 nan 0.000 0.468 225 T N 1.844 116.173 114.554 -0.375 0.000 3.571 225 T HA 0.021 4.377 4.350 0.010 0.000 0.292 225 T C -0.890 173.747 174.700 -0.105 0.000 0.994 225 T CA -0.709 61.142 62.100 -0.416 0.000 0.996 225 T CB -0.441 68.166 68.868 -0.436 0.000 1.185 225 T HN 0.677 nan 8.240 nan 0.000 0.482 226 D N 1.467 121.853 120.400 -0.023 0.000 2.458 226 D HA 0.088 4.734 4.640 0.010 0.000 0.243 226 D C 0.485 176.832 176.300 0.078 0.000 1.146 226 D CA -0.150 53.862 54.000 0.020 0.000 0.877 226 D CB 1.120 41.923 40.800 0.005 0.000 1.176 226 D HN 0.272 nan 8.370 nan 0.000 0.461 227 K N 1.447 121.887 120.400 0.066 0.000 2.218 227 K HA 0.059 4.385 4.320 0.010 0.000 0.250 227 K C -1.813 174.847 176.600 0.100 0.000 1.024 227 K CA -0.474 55.868 56.287 0.092 0.000 0.842 227 K CB -0.023 32.526 32.500 0.081 0.000 1.041 227 K HN 0.499 nan 8.250 nan 0.000 0.522 228 P HA 0.148 nan 4.420 nan 0.000 0.289 228 P C -1.065 176.301 177.300 0.111 0.000 1.300 228 P CA -0.605 62.572 63.100 0.129 0.000 0.828 228 P CB 0.664 32.491 31.700 0.211 0.000 1.235 229 Q N 0.263 120.092 119.800 0.049 0.000 2.421 229 Q HA 0.203 4.549 4.340 0.010 0.000 0.255 229 Q C -1.773 174.186 176.000 -0.068 0.000 1.013 229 Q CA -1.183 54.616 55.803 -0.006 0.000 0.895 229 Q CB -0.870 27.846 28.738 -0.036 0.000 1.271 229 Q HN 0.390 nan 8.270 nan 0.000 0.460 230 P HA -0.099 nan 4.420 nan 0.000 0.270 230 P C 0.980 177.979 177.300 -0.501 0.000 1.227 230 P CA -0.025 62.940 63.100 -0.225 0.000 0.788 230 P CB 0.540 32.167 31.700 -0.122 0.000 0.926 231 V N 1.720 121.146 119.914 -0.813 0.000 2.324 231 V HA -0.335 3.791 4.120 0.010 0.000 0.250 231 V C 1.791 177.651 176.094 -0.391 0.000 1.060 231 V CA 2.686 64.460 62.300 -0.877 0.000 1.042 231 V CB -1.225 30.212 31.823 -0.642 0.000 0.650 231 V HN 0.470 nan 8.190 nan 0.000 0.450 232 N N 0.533 119.085 118.700 -0.245 0.000 2.250 232 N HA 0.069 4.815 4.740 0.010 0.000 0.181 232 N C 1.868 177.308 175.510 -0.117 0.000 1.017 232 N CA 1.339 54.305 53.050 -0.141 0.000 0.866 232 N CB -0.540 37.892 38.487 -0.091 0.000 0.985 232 N HN 0.578 nan 8.380 nan 0.000 0.429 233 A N 0.730 123.475 122.820 -0.125 0.000 1.978 233 A HA -0.091 4.236 4.320 0.010 0.000 0.220 233 A C 2.006 179.537 177.584 -0.088 0.000 1.170 233 A CA 1.082 53.065 52.037 -0.090 0.000 0.636 233 A CB -0.640 18.311 19.000 -0.081 0.000 0.810 233 A HN 0.203 nan 8.150 nan 0.000 0.448 234 L N -1.348 119.802 121.223 -0.122 0.000 2.049 234 L HA -0.052 4.294 4.340 0.010 0.000 0.203 234 L C 2.480 179.299 176.870 -0.086 0.000 1.074 234 L CA 0.758 55.538 54.840 -0.100 0.000 0.749 234 L CB -0.670 41.318 42.059 -0.119 0.000 0.907 234 L HN 0.290 nan 8.230 nan 0.000 0.439 235 L N 0.190 121.352 121.223 -0.101 0.000 2.089 235 L HA -0.292 4.055 4.340 0.010 0.000 0.213 235 L C 2.695 179.531 176.870 -0.057 0.000 1.079 235 L CA 1.566 56.358 54.840 -0.081 0.000 0.758 235 L CB -0.336 41.678 42.059 -0.075 0.000 0.891 235 L HN 0.236 nan 8.230 nan 0.000 0.433 236 K N -0.529 119.841 120.400 -0.049 0.000 1.980 236 K HA -0.171 4.155 4.320 0.010 0.000 0.208 236 K C 2.179 178.761 176.600 -0.030 0.000 1.043 236 K CA 1.043 57.313 56.287 -0.030 0.000 0.938 236 K CB -0.074 32.408 32.500 -0.029 0.000 0.724 236 K HN 0.048 nan 8.250 nan 0.000 0.438 237 E N 0.141 120.318 120.200 -0.037 0.000 2.209 237 E HA -0.157 4.199 4.350 0.010 0.000 0.196 237 E C 0.847 177.429 176.600 -0.030 0.000 0.993 237 E CA 1.104 57.485 56.400 -0.030 0.000 0.819 237 E CB 0.029 29.709 29.700 -0.034 0.000 0.745 237 E HN 0.369 nan 8.360 nan 0.000 0.477 238 A N 0.215 123.010 122.820 -0.042 0.000 2.411 238 A HA 0.089 4.416 4.320 0.010 0.000 0.251 238 A C 1.139 178.692 177.584 -0.052 0.000 1.317 238 A CA -0.075 51.934 52.037 -0.047 0.000 0.904 238 A CB 0.064 19.029 19.000 -0.058 0.000 0.993 238 A HN 0.086 nan 8.150 nan 0.000 0.504 239 E N -1.015 119.166 120.200 -0.032 0.000 2.572 239 E HA 0.100 4.456 4.350 0.010 0.000 0.220 239 E C 0.985 177.589 176.600 0.008 0.000 0.945 239 E CA 0.100 56.492 56.400 -0.013 0.000 1.070 239 E CB 0.475 30.181 29.700 0.010 0.000 1.090 239 E HN 0.520 nan 8.360 nan 0.000 0.506 240 K N -0.427 119.974 120.400 0.001 0.000 2.399 240 K HA 0.203 4.529 4.320 0.010 0.000 0.196 240 K C 1.726 178.329 176.600 0.005 0.000 1.103 240 K CA 0.110 56.401 56.287 0.007 0.000 0.986 240 K CB 0.706 33.209 32.500 0.005 0.000 0.952 240 K HN -0.211 nan 8.250 nan 0.000 0.541 241 R N 0.941 121.439 120.500 -0.003 0.000 2.316 241 R HA 0.159 4.506 4.340 0.010 0.000 0.201 241 R C 0.211 176.508 176.300 -0.005 0.000 0.888 241 R CA -0.031 56.068 56.100 -0.003 0.000 1.041 241 R CB 0.111 30.405 30.300 -0.009 0.000 1.115 241 R HN 0.074 nan 8.270 nan 0.000 0.559 242 N N 1.236 119.929 118.700 -0.011 0.000 2.454 242 N HA -0.073 4.673 4.740 0.010 0.000 0.260 242 N C 0.663 176.171 175.510 -0.004 0.000 1.218 242 N CA 0.407 53.449 53.050 -0.014 0.000 0.904 242 N CB 0.736 39.206 38.487 -0.028 0.000 1.065 242 N HN 0.159 nan 8.380 nan 0.000 0.462 243 L N 2.584 123.805 121.223 -0.004 0.000 2.209 243 L HA -0.101 4.245 4.340 0.010 0.000 0.207 243 L C 2.394 179.269 176.870 0.008 0.000 1.094 243 L CA 0.857 55.700 54.840 0.005 0.000 0.790 243 L CB -0.369 41.691 42.059 0.001 0.000 0.932 243 L HN 0.676 nan 8.230 nan 0.000 0.447 244 S N -0.504 115.197 115.700 0.001 0.000 2.461 244 S HA -0.079 4.397 4.470 0.010 0.000 0.228 244 S C 1.892 176.496 174.600 0.007 0.000 1.005 244 S CA 0.412 58.614 58.200 0.004 0.000 0.942 244 S CB -0.157 63.042 63.200 -0.001 0.000 0.776 244 S HN 0.356 nan 8.310 nan 0.000 0.514 245 L N 0.306 121.531 121.223 0.004 0.000 2.102 245 L HA 0.123 4.469 4.340 0.010 0.000 0.202 245 L C 2.477 179.360 176.870 0.022 0.000 1.076 245 L CA 1.073 55.920 54.840 0.013 0.000 0.761 245 L CB -0.451 41.610 42.059 0.004 0.000 0.921 245 L HN 0.403 nan 8.230 nan 0.000 0.444 246 L N 0.084 121.319 121.223 0.021 0.000 2.103 246 L HA -0.337 4.009 4.340 0.010 0.000 0.215 246 L C 2.364 179.253 176.870 0.031 0.000 1.080 246 L CA 1.990 56.846 54.840 0.028 0.000 0.764 246 L CB -0.692 41.384 42.059 0.028 0.000 0.890 246 L HN 0.347 nan 8.230 nan 0.000 0.435 247 Q N -1.107 118.710 119.800 0.029 0.000 2.083 247 Q HA -0.114 4.232 4.340 0.010 0.000 0.198 247 Q C 2.183 178.198 176.000 0.024 0.000 0.969 247 Q CA 1.393 57.215 55.803 0.031 0.000 0.838 247 Q CB -0.213 28.543 28.738 0.030 0.000 0.900 247 Q HN 0.710 nan 8.270 nan 0.000 0.436 248 A N 0.699 123.530 122.820 0.018 0.000 2.070 248 A HA -0.175 4.151 4.320 0.010 0.000 0.220 248 A C 1.898 179.485 177.584 0.005 0.000 1.159 248 A CA 1.036 53.079 52.037 0.009 0.000 0.656 248 A CB -0.292 18.714 19.000 0.010 0.000 0.800 248 A HN 0.268 nan 8.150 nan 0.000 0.453 249 R N -0.668 119.842 120.500 0.018 0.000 2.055 249 R HA 0.069 4.415 4.340 0.010 0.000 0.228 249 R C 1.970 178.286 176.300 0.028 0.000 1.143 249 R CA 1.294 57.406 56.100 0.021 0.000 0.945 249 R CB -0.530 29.789 30.300 0.031 0.000 0.841 249 R HN 0.466 nan 8.270 nan 0.000 0.429 250 L N 1.104 122.347 121.223 0.033 0.000 2.187 250 L HA -0.199 4.147 4.340 0.010 0.000 0.213 250 L C 2.570 179.463 176.870 0.038 0.000 1.100 250 L CA 1.547 56.410 54.840 0.039 0.000 0.765 250 L CB -0.469 41.616 42.059 0.043 0.000 0.904 250 L HN 0.351 nan 8.230 nan 0.000 0.437 251 S N -1.668 114.048 115.700 0.027 0.000 2.439 251 S HA -0.169 4.308 4.470 0.010 0.000 0.224 251 S C 1.884 176.493 174.600 0.016 0.000 1.029 251 S CA 0.240 58.455 58.200 0.023 0.000 0.946 251 S CB -0.110 63.100 63.200 0.016 0.000 0.797 251 S HN 0.427 nan 8.310 nan 0.000 0.504 252 Q N 1.200 120.993 119.800 -0.011 0.000 2.119 252 Q HA -0.194 4.152 4.340 0.010 0.000 0.201 252 Q C 1.734 177.781 176.000 0.079 0.000 0.972 252 Q CA 1.887 57.653 55.803 -0.063 0.000 0.847 252 Q CB -0.366 28.286 28.738 -0.143 0.000 0.903 252 Q HN 0.727 nan 8.270 nan 0.000 0.433 253 D N 0.105 120.562 120.400 0.095 0.000 2.092 253 D HA -0.212 4.435 4.640 0.010 0.000 0.193 253 D C 2.014 178.390 176.300 0.126 0.000 0.994 253 D CA 1.164 55.241 54.000 0.129 0.000 0.828 253 D CB -0.195 40.654 40.800 0.082 0.000 0.963 253 D HN 0.258 nan 8.370 nan 0.000 0.450 254 L N -0.011 121.265 121.223 0.088 0.000 2.127 254 L HA -0.094 4.252 4.340 0.010 0.000 0.211 254 L C 2.151 179.082 176.870 0.102 0.000 1.089 254 L CA 1.874 56.759 54.840 0.075 0.000 0.757 254 L CB -0.448 41.642 42.059 0.052 0.000 0.899 254 L HN 0.155 nan 8.230 nan 0.000 0.434 255 A N -0.802 122.105 122.820 0.145 0.000 1.968 255 A HA -0.178 4.149 4.320 0.010 0.000 0.217 255 A C 2.463 180.229 177.584 0.303 0.000 1.169 255 A CA 1.407 53.569 52.037 0.209 0.000 0.638 255 A CB -0.526 18.595 19.000 0.202 0.000 0.812 255 A HN 0.469 nan 8.150 nan 0.000 0.446 256 R N -0.383 120.333 120.500 0.361 0.000 2.061 256 R HA -0.116 4.231 4.340 0.010 0.000 0.230 256 R C 1.866 178.180 176.300 0.023 0.000 1.140 256 R CA 1.410 57.587 56.100 0.128 0.000 0.940 256 R CB -0.300 30.099 30.300 0.165 0.000 0.839 256 R HN 0.394 nan 8.270 nan 0.000 0.429 257 E N 0.703 120.936 120.200 0.054 0.000 2.273 257 E HA -0.241 4.115 4.350 0.010 0.000 0.198 257 E C 1.839 178.452 176.600 0.021 0.000 1.002 257 E CA 1.324 57.741 56.400 0.028 0.000 0.828 257 E CB 0.025 29.747 29.700 0.037 0.000 0.747 257 E HN 0.500 nan 8.360 nan 0.000 0.491 258 Q N -0.520 119.303 119.800 0.038 0.000 2.269 258 Q HA 0.041 4.387 4.340 0.010 0.000 0.201 258 Q C 2.269 178.274 176.000 0.009 0.000 0.946 258 Q CA 0.231 56.051 55.803 0.028 0.000 0.877 258 Q CB 0.202 28.968 28.738 0.048 0.000 0.963 258 Q HN 0.298 nan 8.270 nan 0.000 0.472 259 I N 0.287 120.855 120.570 -0.005 0.000 2.113 259 I HA -0.322 3.854 4.170 0.010 0.000 0.238 259 I C 2.226 178.321 176.117 -0.038 0.000 1.070 259 I CA 1.253 62.529 61.300 -0.040 0.000 1.332 259 I CB -0.224 37.712 38.000 -0.106 0.000 1.044 259 I HN 0.123 nan 8.210 nan 0.000 0.402 260 R N 0.326 120.803 120.500 -0.038 0.000 2.119 260 R HA -0.282 4.064 4.340 0.010 0.000 0.246 260 R C 2.358 178.648 176.300 -0.018 0.000 1.146 260 R CA 1.953 58.038 56.100 -0.025 0.000 0.962 260 R CB -0.454 29.834 30.300 -0.019 0.000 0.863 260 R HN 0.476 nan 8.270 nan 0.000 0.442 261 Q N 0.104 119.894 119.800 -0.017 0.000 2.020 261 Q HA -0.182 4.164 4.340 0.010 0.000 0.202 261 Q C 2.091 178.067 176.000 -0.040 0.000 0.982 261 Q CA 1.838 57.627 55.803 -0.022 0.000 0.838 261 Q CB -0.146 28.583 28.738 -0.015 0.000 0.899 261 Q HN 0.407 nan 8.270 nan 0.000 0.423 262 A N 0.875 123.671 122.820 -0.041 0.000 1.892 262 A HA -0.275 4.052 4.320 0.010 0.000 0.218 262 A C 1.965 179.492 177.584 -0.095 0.000 1.188 262 A CA 1.925 53.924 52.037 -0.064 0.000 0.631 262 A CB -0.734 18.237 19.000 -0.049 0.000 0.822 262 A HN 0.588 nan 8.150 nan 0.000 0.447 263 Q N -0.501 119.268 119.800 -0.051 0.000 2.234 263 Q HA -0.176 4.170 4.340 0.010 0.000 0.206 263 Q C 0.695 176.680 176.000 -0.025 0.000 0.980 263 Q CA 1.275 57.076 55.803 -0.003 0.000 0.869 263 Q CB -0.217 28.556 28.738 0.058 0.000 0.912 263 Q HN 0.587 nan 8.270 nan 0.000 0.436 264 D N -0.434 119.938 120.400 -0.047 0.000 2.390 264 D HA -0.048 4.598 4.640 0.010 0.000 0.235 264 D C 1.411 177.653 176.300 -0.097 0.000 1.040 264 D CA 0.615 54.585 54.000 -0.049 0.000 0.923 264 D CB -0.315 40.451 40.800 -0.057 0.000 0.886 264 D HN 0.365 nan 8.370 nan 0.000 0.532 265 G N -0.659 108.029 108.800 -0.187 0.000 2.712 265 G HA2 -0.150 3.816 3.960 0.010 0.000 0.212 265 G HA3 -0.150 3.816 3.960 0.010 0.000 0.212 265 G C 1.266 176.024 174.900 -0.236 0.000 1.142 265 G CA 0.100 45.062 45.100 -0.230 0.000 0.789 265 G HN 0.352 nan 8.290 nan 0.000 0.535 266 H N 0.265 119.318 119.070 -0.027 0.000 2.355 266 H HA 0.169 4.731 4.556 0.010 0.000 0.303 266 H C 1.379 176.706 175.328 -0.001 0.000 1.061 266 H CA 0.089 56.130 56.048 -0.011 0.000 1.368 266 H CB -0.290 29.472 29.762 0.001 0.000 1.412 266 H HN 0.183 nan 8.280 nan 0.000 0.523 267 L N 3.400 124.699 121.223 0.125 0.000 2.499 267 L HA 0.051 4.398 4.340 0.010 0.000 0.281 267 L C -1.740 175.158 176.870 0.047 0.000 1.234 267 L CA -1.432 53.476 54.840 0.113 0.000 0.839 267 L CB -0.313 41.815 42.059 0.115 0.000 1.104 267 L HN 0.062 nan 8.230 nan 0.000 0.500 268 P HA 0.165 nan 4.420 nan 0.000 0.276 268 P C -0.817 176.443 177.300 -0.067 0.000 1.244 268 P CA -0.341 62.686 63.100 -0.122 0.000 0.801 268 P CB 1.053 32.657 31.700 -0.161 0.000 1.006 269 T N -0.506 113.908 114.554 -0.233 0.000 2.841 269 T HA 0.570 4.926 4.350 0.010 0.000 0.283 269 T C -0.607 174.054 174.700 -0.065 0.000 1.000 269 T CA -0.862 61.176 62.100 -0.103 0.000 0.977 269 T CB 1.108 69.904 68.868 -0.120 0.000 0.979 269 T HN 0.306 nan 8.240 nan 0.000 0.446 270 L N 2.385 123.673 121.223 0.109 0.000 2.385 270 L HA 0.628 4.974 4.340 0.010 0.000 0.273 270 L C -1.457 175.489 176.870 0.126 0.000 0.990 270 L CA -0.310 54.630 54.840 0.167 0.000 0.821 270 L CB 1.801 44.029 42.059 0.283 0.000 1.279 270 L HN 0.883 nan 8.230 nan 0.000 0.412 271 D N 4.587 125.048 120.400 0.102 0.000 2.936 271 D HA 0.261 4.908 4.640 0.010 0.000 0.238 271 D C -0.856 175.484 176.300 0.067 0.000 1.248 271 D CA -0.341 53.701 54.000 0.070 0.000 0.903 271 D CB 3.189 44.012 40.800 0.038 0.000 1.544 271 D HN 0.345 nan 8.370 nan 0.000 0.543 272 L N 2.052 123.310 121.223 0.059 0.000 2.331 272 L HA 0.359 4.706 4.340 0.010 0.000 0.278 272 L C -0.333 176.558 176.870 0.034 0.000 1.106 272 L CA 0.612 55.481 54.840 0.048 0.000 0.824 272 L CB 0.990 43.077 42.059 0.047 0.000 1.142 272 L HN 0.288 nan 8.230 nan 0.000 0.443 273 T N 3.657 118.230 114.554 0.031 0.000 2.900 273 T HA 0.872 5.228 4.350 0.010 0.000 0.295 273 T C -1.004 173.708 174.700 0.020 0.000 1.044 273 T CA -0.555 61.559 62.100 0.023 0.000 0.995 273 T CB 1.805 70.687 68.868 0.022 0.000 1.072 273 T HN 0.760 nan 8.240 nan 0.000 0.473 274 A N 1.680 124.509 122.820 0.015 0.000 2.465 274 A HA 0.770 5.096 4.320 0.010 0.000 0.292 274 A C -0.474 177.116 177.584 0.011 0.000 1.041 274 A CA -0.733 51.312 52.037 0.014 0.000 0.718 274 A CB 1.348 20.356 19.000 0.014 0.000 1.266 274 A HN 0.689 nan 8.150 nan 0.000 0.403 275 S N 0.080 115.786 115.700 0.011 0.000 2.751 275 S HA 0.954 5.431 4.470 0.010 0.000 0.310 275 S C -0.372 174.234 174.600 0.009 0.000 1.128 275 S CA -0.414 57.792 58.200 0.010 0.000 0.931 275 S CB 1.918 65.124 63.200 0.010 0.000 1.177 275 S HN 1.565 nan 8.310 nan 0.000 0.530 276 T N -0.085 114.474 114.554 0.009 0.000 4.445 276 T HA 0.519 4.875 4.350 0.010 0.000 0.365 276 T C -0.946 173.760 174.700 0.010 0.000 0.885 276 T CA -0.106 61.999 62.100 0.009 0.000 0.987 276 T CB -0.220 68.654 68.868 0.009 0.000 1.150 276 T HN 1.142 nan 8.240 nan 0.000 0.464 277 G N 3.685 112.491 108.800 0.010 0.000 2.742 277 G HA2 0.620 4.586 3.960 0.010 0.000 0.296 277 G HA3 0.620 4.586 3.960 0.010 0.000 0.296 277 G C -0.470 174.438 174.900 0.013 0.000 1.436 277 G CA -0.540 44.567 45.100 0.012 0.000 0.928 277 G HN 1.158 nan 8.290 nan 0.000 0.520 278 I N -0.659 119.920 120.570 0.015 0.000 3.004 278 I HA 0.756 4.932 4.170 0.010 0.000 0.287 278 I C 0.401 176.528 176.117 0.018 0.000 1.144 278 I CA -0.172 61.138 61.300 0.017 0.000 1.353 278 I CB 1.881 39.892 38.000 0.019 0.000 1.417 278 I HN 0.478 nan 8.210 nan 0.000 0.602 279 S N 2.248 117.959 115.700 0.019 0.000 2.548 279 S HA 0.313 4.789 4.470 0.010 0.000 0.168 279 S C -1.595 173.017 174.600 0.020 0.000 1.068 279 S CA -0.748 57.463 58.200 0.018 0.000 1.129 279 S CB -0.354 62.854 63.200 0.013 0.000 1.435 279 S HN 0.743 nan 8.310 nan 0.000 0.410 280 D N 3.104 123.519 120.400 0.024 0.000 2.412 280 D HA 0.425 5.072 4.640 0.010 0.000 0.224 280 D C 0.055 176.364 176.300 0.015 0.000 1.093 280 D CA 0.128 54.145 54.000 0.028 0.000 0.850 280 D CB 1.540 42.362 40.800 0.036 0.000 1.046 280 D HN 0.362 nan 8.370 nan 0.000 0.507 281 T N 0.634 115.195 114.554 0.011 0.000 2.943 281 T HA 0.745 5.102 4.350 0.010 0.000 0.284 281 T C 0.081 174.772 174.700 -0.015 0.000 1.015 281 T CA -0.832 61.243 62.100 -0.042 0.000 1.042 281 T CB 1.279 70.124 68.868 -0.038 0.000 1.055 281 T HN 0.357 nan 8.240 nan 0.000 0.500 282 S N 0.328 115.956 115.700 -0.121 0.000 2.550 282 S HA 0.711 5.187 4.470 0.010 0.000 0.270 282 S C -1.969 172.520 174.600 -0.185 0.000 1.145 282 S CA -0.976 57.214 58.200 -0.017 0.000 0.852 282 S CB 0.949 64.168 63.200 0.032 0.000 1.119 282 S HN 0.584 nan 8.310 nan 0.000 0.465 283 Y N 0.595 120.930 120.300 0.058 0.000 2.562 283 Y HA 0.805 5.362 4.550 0.010 0.000 0.343 283 Y C 0.064 175.976 175.900 0.021 0.000 1.025 283 Y CA -0.424 57.706 58.100 0.050 0.000 1.082 283 Y CB 2.700 41.239 38.460 0.131 0.000 1.264 283 Y HN 1.062 nan 8.280 nan 0.000 0.478 284 S N -0.404 115.381 115.700 0.141 0.000 2.586 284 S HA 0.693 5.169 4.470 0.010 0.000 0.296 284 S C -0.291 174.325 174.600 0.028 0.000 1.120 284 S CA -0.352 57.889 58.200 0.068 0.000 0.927 284 S CB 1.126 64.363 63.200 0.061 0.000 1.114 284 S HN 1.259 nan 8.310 nan 0.000 0.453 285 G N 1.750 110.550 108.800 -0.001 0.000 2.556 285 G HA2 0.283 4.250 3.960 0.010 0.000 0.114 285 G HA3 0.283 4.250 3.960 0.010 0.000 0.114 285 G C -0.061 174.818 174.900 -0.035 0.000 0.956 285 G CA 0.173 45.264 45.100 -0.015 0.000 1.263 285 G HN 1.790 nan 8.290 nan 0.000 0.486 286 S N 1.367 117.024 115.700 -0.072 0.000 2.694 286 S HA 0.472 4.948 4.470 0.010 0.000 0.211 286 S C 1.127 175.648 174.600 -0.131 0.000 1.328 286 S CA 0.618 58.770 58.200 -0.082 0.000 1.236 286 S CB 1.071 64.223 63.200 -0.081 0.000 1.121 286 S HN 0.475 nan 8.310 nan 0.000 0.517 287 K N 2.319 122.654 120.400 -0.108 0.000 2.303 287 K HA -0.240 4.087 4.320 0.010 0.000 0.223 287 K C 0.844 177.335 176.600 -0.181 0.000 0.745 287 K CA 2.544 58.756 56.287 -0.126 0.000 0.940 287 K CB -1.273 31.199 32.500 -0.047 0.000 0.518 287 K HN 0.802 nan 8.250 nan 0.000 0.861 288 T N -1.254 113.244 114.554 -0.093 0.000 2.848 288 T HA 0.531 4.887 4.350 0.010 0.000 0.285 288 T C 0.462 175.134 174.700 -0.046 0.000 0.995 288 T CA -0.904 61.155 62.100 -0.068 0.000 0.970 288 T CB 1.829 70.686 68.868 -0.018 0.000 0.976 288 T HN 0.260 nan 8.240 nan 0.000 0.441 289 R N 2.957 123.431 120.500 -0.044 0.000 1.986 289 R HA 0.577 4.923 4.340 0.010 0.000 0.208 289 R C 1.056 177.348 176.300 -0.012 0.000 1.376 289 R CA 0.246 56.330 56.100 -0.026 0.000 1.075 289 R CB -0.321 29.962 30.300 -0.029 0.000 0.925 289 R HN 0.814 nan 8.270 nan 0.000 0.475 290 G N -2.572 106.224 108.800 -0.007 0.000 2.623 290 G HA2 0.389 4.356 3.960 0.010 0.000 0.290 290 G HA3 0.389 4.356 3.960 0.010 0.000 0.290 290 G C -0.353 174.551 174.900 0.007 0.000 1.437 290 G CA -0.113 44.988 45.100 0.001 0.000 0.798 290 G HN 0.334 nan 8.290 nan 0.000 0.488 291 A N -1.948 120.876 122.820 0.008 0.000 3.408 291 A HA 0.213 4.539 4.320 0.010 0.000 0.269 291 A C 1.063 178.657 177.584 0.016 0.000 1.124 291 A CA 2.435 54.477 52.037 0.009 0.000 0.999 291 A CB -1.490 17.514 19.000 0.006 0.000 1.067 291 A HN 2.682 nan 8.150 nan 0.000 0.815 292 A N -0.979 121.858 122.820 0.027 0.000 2.499 292 A HA 0.729 5.055 4.320 0.010 0.000 0.280 292 A C 1.112 178.727 177.584 0.053 0.000 1.135 292 A CA 0.814 52.876 52.037 0.041 0.000 0.744 292 A CB -0.028 19.016 19.000 0.073 0.000 1.213 292 A HN 2.492 nan 8.150 nan 0.000 0.434 293 G N 2.217 111.035 108.800 0.030 0.000 3.583 293 G HA2 0.043 4.009 3.960 0.010 0.000 0.587 293 G HA3 0.043 4.009 3.960 0.010 0.000 0.587 293 G C 0.394 175.328 174.900 0.055 0.000 1.488 293 G CA 0.234 45.347 45.100 0.021 0.000 1.278 293 G HN 2.126 nan 8.290 nan 0.000 0.587 294 T N -0.687 113.889 114.554 0.036 0.000 3.218 294 T HA 0.379 4.735 4.350 0.010 0.000 0.236 294 T C 1.039 175.732 174.700 -0.012 0.000 1.005 294 T CA -0.228 61.913 62.100 0.070 0.000 1.055 294 T CB 0.869 69.768 68.868 0.052 0.000 1.136 294 T HN 0.534 nan 8.240 nan 0.000 0.577 295 Q N 0.785 120.500 119.800 -0.142 0.000 2.408 295 Q HA 0.064 4.410 4.340 0.010 0.000 0.214 295 Q C -0.422 175.186 176.000 -0.653 0.000 0.957 295 Q CA 0.464 56.051 55.803 -0.359 0.000 0.965 295 Q CB -0.358 28.128 28.738 -0.420 0.000 0.991 295 Q HN 0.862 nan 8.270 nan 0.000 0.505 296 Y N -0.579 119.567 120.300 -0.257 0.000 2.696 296 Y HA 0.205 4.761 4.550 0.010 0.000 0.260 296 Y C 0.378 176.205 175.900 -0.121 0.000 1.165 296 Y CA -0.828 57.008 58.100 -0.440 0.000 1.189 296 Y CB 0.689 38.892 38.460 -0.427 0.000 1.180 296 Y HN -0.030 nan 8.280 nan 0.000 0.538 297 D N 1.088 121.506 120.400 0.029 0.000 2.372 297 D HA -0.032 4.614 4.640 0.010 0.000 0.243 297 D C -0.495 175.887 176.300 0.135 0.000 1.121 297 D CA 0.267 54.316 54.000 0.081 0.000 0.898 297 D CB 0.915 41.737 40.800 0.036 0.000 1.202 297 D HN 0.166 nan 8.370 nan 0.000 0.428 298 D N 0.948 121.428 120.400 0.133 0.000 2.426 298 D HA -0.058 4.588 4.640 0.010 0.000 0.271 298 D C -0.092 176.265 176.300 0.096 0.000 1.376 298 D CA 0.534 54.612 54.000 0.129 0.000 1.149 298 D CB -0.198 40.657 40.800 0.092 0.000 1.118 298 D HN -0.007 nan 8.370 nan 0.000 0.529 299 S N 2.373 118.143 115.700 0.117 0.000 2.430 299 S HA 0.094 4.570 4.470 0.010 0.000 0.282 299 S C -0.026 174.609 174.600 0.057 0.000 1.186 299 S CA -0.715 57.533 58.200 0.080 0.000 1.060 299 S CB -0.126 63.131 63.200 0.096 0.000 0.966 299 S HN 0.185 nan 8.310 nan 0.000 0.501 300 N N 5.195 123.920 118.700 0.042 0.000 2.817 300 N HA 0.286 5.032 4.740 0.010 0.000 0.234 300 N C -0.506 175.019 175.510 0.025 0.000 1.066 300 N CA -0.316 52.754 53.050 0.033 0.000 0.926 300 N CB 0.561 39.067 38.487 0.031 0.000 1.176 300 N HN 0.468 nan 8.380 nan 0.000 0.506 301 M N 0.556 120.170 119.600 0.024 0.000 2.255 301 M HA 0.502 4.988 4.480 0.010 0.000 0.336 301 M C 0.882 177.192 176.300 0.016 0.000 1.135 301 M CA -0.492 54.819 55.300 0.018 0.000 1.145 301 M CB 0.804 33.414 32.600 0.017 0.000 1.473 301 M HN 0.438 nan 8.290 nan 0.000 0.462 302 G N 2.578 111.386 108.800 0.013 0.000 2.739 302 G HA2 0.628 4.594 3.960 0.010 0.000 0.292 302 G HA3 0.628 4.594 3.960 0.010 0.000 0.292 302 G C -1.348 173.558 174.900 0.010 0.000 1.444 302 G CA -0.614 44.494 45.100 0.012 0.000 1.144 302 G HN 0.661 nan 8.290 nan 0.000 0.550 303 Q N 0.879 120.685 119.800 0.010 0.000 2.544 303 Q HA 0.566 4.913 4.340 0.010 0.000 0.291 303 Q C -1.424 174.581 176.000 0.009 0.000 1.068 303 Q CA -1.274 54.534 55.803 0.009 0.000 0.785 303 Q CB 2.615 31.359 28.738 0.009 0.000 1.481 303 Q HN 0.370 nan 8.270 nan 0.000 0.430 304 N N 0.729 119.435 118.700 0.009 0.000 2.732 304 N HA 0.189 4.935 4.740 0.010 0.000 0.235 304 N C -1.567 173.949 175.510 0.009 0.000 1.466 304 N CA -0.039 53.017 53.050 0.009 0.000 0.751 304 N CB 1.120 39.612 38.487 0.008 0.000 1.317 304 N HN 0.456 nan 8.380 nan 0.000 0.525 305 K N 0.061 120.467 120.400 0.010 0.000 2.154 305 K HA 0.381 4.707 4.320 0.010 0.000 0.264 305 K C 0.188 176.796 176.600 0.013 0.000 1.008 305 K CA -0.316 55.978 56.287 0.012 0.000 0.937 305 K CB 2.164 34.672 32.500 0.012 0.000 1.002 305 K HN -0.003 nan 8.250 nan 0.000 0.469 306 V N 1.809 121.732 119.914 0.015 0.000 3.301 306 V HA 0.274 4.401 4.120 0.010 0.000 0.477 306 V C -0.649 175.457 176.094 0.021 0.000 1.564 306 V CA -0.315 61.995 62.300 0.017 0.000 1.946 306 V CB 0.591 32.423 31.823 0.015 0.000 1.281 306 V HN 0.826 nan 8.190 nan 0.000 0.655 307 G N 3.127 111.940 108.800 0.022 0.000 2.367 307 G HA2 0.611 4.577 3.960 0.010 0.000 0.314 307 G HA3 0.611 4.577 3.960 0.010 0.000 0.314 307 G C -0.692 174.230 174.900 0.036 0.000 1.130 307 G CA -0.461 44.656 45.100 0.027 0.000 0.864 307 G HN 0.608 nan 8.290 nan 0.000 0.486 308 L N 1.110 122.359 121.223 0.044 0.000 2.325 308 L HA 0.891 5.237 4.340 0.010 0.000 0.278 308 L C -0.041 176.876 176.870 0.080 0.000 1.023 308 L CA -1.246 53.631 54.840 0.060 0.000 0.811 308 L CB 0.570 42.668 42.059 0.065 0.000 1.249 308 L HN 0.560 nan 8.230 nan 0.000 0.431 309 S N 2.420 118.178 115.700 0.097 0.000 2.634 309 S HA 0.863 5.339 4.470 0.010 0.000 0.296 309 S C -0.979 173.738 174.600 0.195 0.000 1.104 309 S CA -0.577 57.701 58.200 0.130 0.000 0.920 309 S CB 2.251 65.507 63.200 0.093 0.000 1.111 309 S HN 0.716 nan 8.310 nan 0.000 0.493 310 F N 1.070 121.044 119.950 0.040 0.000 2.565 310 F HA 0.760 5.293 4.527 0.010 0.000 0.313 310 F C -0.657 175.170 175.800 0.046 0.000 1.091 310 F CA -0.233 57.798 58.000 0.051 0.000 0.915 310 F CB 2.152 41.180 39.000 0.046 0.000 1.208 310 F HN 0.827 nan 8.300 nan 0.000 0.453 311 S N 7.098 122.451 115.700 -0.578 0.000 2.619 311 S HA 0.744 5.221 4.470 0.010 0.000 0.280 311 S C -2.161 172.080 174.600 -0.599 0.000 1.150 311 S CA -0.606 57.364 58.200 -0.383 0.000 0.978 311 S CB 1.237 64.335 63.200 -0.169 0.000 1.041 311 S HN 0.965 nan 8.310 nan 0.000 0.485 312 L N 5.882 126.917 121.223 -0.312 0.000 2.438 312 L HA 0.750 5.096 4.340 0.010 0.000 0.270 312 L C -2.549 174.313 176.870 -0.013 0.000 0.972 312 L CA -1.494 53.246 54.840 -0.166 0.000 0.831 312 L CB 2.278 44.320 42.059 -0.029 0.000 1.273 312 L HN 0.553 nan 8.230 nan 0.000 0.405 313 P HA 0.420 nan 4.420 nan 0.000 0.290 313 P C -0.104 177.241 177.300 0.074 0.000 1.276 313 P CA -0.443 62.673 63.100 0.027 0.000 0.808 313 P CB 2.180 33.878 31.700 -0.003 0.000 0.966 314 I N 1.507 122.133 120.570 0.093 0.000 3.025 314 I HA 0.117 4.293 4.170 0.010 0.000 0.236 314 I C 0.466 176.689 176.117 0.177 0.000 1.063 314 I CA 0.542 61.919 61.300 0.128 0.000 1.476 314 I CB -0.388 37.687 38.000 0.125 0.000 1.331 314 I HN 0.295 nan 8.210 nan 0.000 0.457 315 Y N 1.333 121.659 120.300 0.043 0.000 2.326 315 Y HA 0.435 4.990 4.550 0.009 0.000 0.331 315 Y C 0.287 176.206 175.900 0.030 0.000 0.962 315 Y CA -0.624 57.500 58.100 0.040 0.000 1.167 315 Y CB 1.110 39.588 38.460 0.030 0.000 1.148 315 Y HN 0.121 nan 8.280 nan 0.000 0.463 316 Q N 4.443 123.966 119.800 -0.461 0.000 2.186 316 Q HA 0.284 4.630 4.340 0.010 0.000 0.241 316 Q C 0.896 176.614 176.000 -0.469 0.000 0.849 316 Q CA 0.398 55.999 55.803 -0.337 0.000 1.053 316 Q CB 0.322 28.950 28.738 -0.184 0.000 1.146 316 Q HN 1.200 nan 8.270 nan 0.000 0.475 317 G N -0.695 107.523 108.800 -0.970 0.000 2.132 317 G HA2 -0.280 3.686 3.960 0.010 0.000 0.234 317 G HA3 -0.280 3.686 3.960 0.010 0.000 0.234 317 G C 0.649 175.318 174.900 -0.385 0.000 0.989 317 G CA -0.025 44.735 45.100 -0.566 0.000 0.676 317 G HN 0.871 nan 8.290 nan 0.000 0.522 318 G N -0.798 107.709 108.800 -0.488 0.000 2.155 318 G HA2 -0.327 3.639 3.960 0.010 0.000 0.257 318 G HA3 -0.327 3.639 3.960 0.010 0.000 0.257 318 G C 1.198 176.030 174.900 -0.114 0.000 0.983 318 G CA 1.566 46.564 45.100 -0.169 0.000 0.676 318 G HN 1.409 nan 8.290 nan 0.000 0.528 319 M N 0.011 119.517 119.600 -0.156 0.000 2.067 319 M HA -0.065 4.421 4.480 0.010 0.000 0.260 319 M C 2.463 178.700 176.300 -0.105 0.000 1.069 319 M CA 2.572 57.805 55.300 -0.112 0.000 1.117 319 M CB -0.197 32.331 32.600 -0.121 0.000 1.334 319 M HN 0.205 nan 8.290 nan 0.000 0.407 320 V N 1.665 121.495 119.914 -0.139 0.000 2.626 320 V HA -0.256 3.870 4.120 0.010 0.000 0.252 320 V C 1.601 177.623 176.094 -0.120 0.000 1.067 320 V CA 2.046 64.226 62.300 -0.201 0.000 1.081 320 V CB -1.364 30.203 31.823 -0.426 0.000 0.686 320 V HN 0.559 nan 8.190 nan 0.000 0.468 321 N N -0.190 118.496 118.700 -0.024 0.000 2.207 321 N HA -0.100 4.646 4.740 0.010 0.000 0.182 321 N C 2.038 177.541 175.510 -0.012 0.000 1.020 321 N CA 1.261 54.327 53.050 0.026 0.000 0.858 321 N CB -0.503 38.017 38.487 0.055 0.000 0.991 321 N HN 0.233 nan 8.380 nan 0.000 0.427 322 S N 0.984 116.673 115.700 -0.019 0.000 2.380 322 S HA -0.258 4.218 4.470 0.010 0.000 0.229 322 S C 1.843 176.432 174.600 -0.020 0.000 1.050 322 S CA 1.482 59.675 58.200 -0.013 0.000 1.100 322 S CB -0.389 62.806 63.200 -0.008 0.000 0.984 322 S HN 0.410 nan 8.310 nan 0.000 0.434 323 Q N -0.141 119.639 119.800 -0.033 0.000 2.170 323 Q HA -0.058 4.288 4.340 0.010 0.000 0.203 323 Q C 2.199 178.177 176.000 -0.037 0.000 0.976 323 Q CA 1.272 57.055 55.803 -0.034 0.000 0.858 323 Q CB -0.232 28.474 28.738 -0.054 0.000 0.907 323 Q HN 0.385 nan 8.270 nan 0.000 0.433 324 V N 1.015 120.903 119.914 -0.044 0.000 2.358 324 V HA -0.247 3.879 4.120 0.010 0.000 0.246 324 V C 1.968 178.019 176.094 -0.073 0.000 1.047 324 V CA 1.772 64.047 62.300 -0.041 0.000 1.035 324 V CB -0.324 31.498 31.823 -0.002 0.000 0.658 324 V HN 0.270 nan 8.190 nan 0.000 0.452 325 K N -0.324 120.019 120.400 -0.096 0.000 2.025 325 K HA -0.195 4.131 4.320 0.010 0.000 0.207 325 K C 2.311 178.782 176.600 -0.216 0.000 1.049 325 K CA 1.562 57.724 56.287 -0.209 0.000 0.933 325 K CB -0.228 32.154 32.500 -0.196 0.000 0.714 325 K HN 0.499 nan 8.250 nan 0.000 0.438 326 Q N 0.160 119.932 119.800 -0.047 0.000 2.061 326 Q HA -0.163 4.183 4.340 0.010 0.000 0.204 326 Q C 2.211 178.255 176.000 0.073 0.000 0.984 326 Q CA 1.674 57.520 55.803 0.071 0.000 0.846 326 Q CB -0.262 28.519 28.738 0.071 0.000 0.902 326 Q HN 0.363 nan 8.270 nan 0.000 0.421 327 A N 0.879 123.716 122.820 0.029 0.000 1.978 327 A HA -0.278 4.048 4.320 0.010 0.000 0.220 327 A C 1.939 179.570 177.584 0.078 0.000 1.170 327 A CA 1.641 53.707 52.037 0.048 0.000 0.636 327 A CB -0.422 18.585 19.000 0.012 0.000 0.810 327 A HN 0.388 nan 8.150 nan 0.000 0.448 328 Q N -1.860 117.947 119.800 0.011 0.000 2.049 328 Q HA -0.134 4.212 4.340 0.010 0.000 0.198 328 Q C 1.935 178.027 176.000 0.154 0.000 0.971 328 Q CA 1.432 57.249 55.803 0.022 0.000 0.833 328 Q CB -0.301 28.364 28.738 -0.121 0.000 0.896 328 Q HN 0.755 nan 8.270 nan 0.000 0.434 329 Y N 1.327 121.682 120.300 0.092 0.000 2.224 329 Y HA -0.204 4.350 4.550 0.006 0.000 0.289 329 Y C 2.133 178.080 175.900 0.079 0.000 1.146 329 Y CA 0.776 58.923 58.100 0.077 0.000 1.182 329 Y CB -0.546 37.942 38.460 0.048 0.000 0.983 329 Y HN 0.246 nan 8.280 nan 0.000 0.524 330 N N -0.374 118.475 118.700 0.248 0.000 2.309 330 N HA -0.192 4.554 4.740 0.010 0.000 0.182 330 N C 1.864 177.471 175.510 0.160 0.000 1.018 330 N CA 0.668 53.814 53.050 0.161 0.000 0.876 330 N CB -0.342 38.221 38.487 0.127 0.000 0.972 330 N HN 0.344 nan 8.380 nan 0.000 0.434 331 F N 1.439 121.428 119.950 0.064 0.000 2.128 331 F HA -0.068 4.464 4.527 0.009 0.000 0.295 331 F C 2.266 178.097 175.800 0.052 0.000 1.100 331 F CA 0.824 58.852 58.000 0.045 0.000 1.260 331 F CB -0.511 38.507 39.000 0.030 0.000 1.009 331 F HN -0.212 nan 8.300 nan 0.000 0.476 332 V N 0.764 120.784 119.914 0.177 0.000 2.278 332 V HA -0.338 3.788 4.120 0.010 0.000 0.251 332 V C 2.735 178.804 176.094 -0.041 0.000 1.062 332 V CA 2.142 64.484 62.300 0.070 0.000 1.038 332 V CB -1.735 30.199 31.823 0.184 0.000 0.646 332 V HN 0.584 nan 8.190 nan 0.000 0.447 333 G N -0.723 108.076 108.800 -0.001 0.000 2.418 333 G HA2 -0.200 3.766 3.960 0.010 0.000 0.217 333 G HA3 -0.200 3.766 3.960 0.010 0.000 0.217 333 G C 1.712 176.565 174.900 -0.079 0.000 1.158 333 G CA 0.962 46.045 45.100 -0.028 0.000 0.771 333 G HN 0.650 nan 8.290 nan 0.000 0.545 334 A N 0.399 123.143 122.820 -0.126 0.000 2.067 334 A HA 0.129 4.455 4.320 0.010 0.000 0.219 334 A C 2.619 180.053 177.584 -0.251 0.000 1.158 334 A CA 2.039 53.977 52.037 -0.166 0.000 0.661 334 A CB -0.276 18.626 19.000 -0.163 0.000 0.801 334 A HN 0.303 nan 8.150 nan 0.000 0.452 335 S N -0.505 114.979 115.700 -0.359 0.000 2.395 335 S HA -0.057 4.419 4.470 0.010 0.000 0.225 335 S C 1.869 176.378 174.600 -0.152 0.000 1.027 335 S CA 0.788 58.798 58.200 -0.317 0.000 0.965 335 S CB -0.158 62.806 63.200 -0.393 0.000 0.812 335 S HN 0.545 nan 8.310 nan 0.000 0.482 336 E N 2.201 122.335 120.200 -0.110 0.000 2.012 336 E HA -0.190 4.166 4.350 0.010 0.000 0.197 336 E C 2.161 178.732 176.600 -0.047 0.000 1.007 336 E CA 1.241 57.605 56.400 -0.060 0.000 0.816 336 E CB -0.656 29.020 29.700 -0.040 0.000 0.762 336 E HN 0.783 nan 8.360 nan 0.000 0.451 337 Q N 0.689 120.460 119.800 -0.048 0.000 2.541 337 Q HA -0.060 4.287 4.340 0.010 0.000 0.215 337 Q C 1.864 177.850 176.000 -0.023 0.000 0.977 337 Q CA 0.535 56.321 55.803 -0.028 0.000 0.934 337 Q CB -0.181 28.542 28.738 -0.024 0.000 0.988 337 Q HN 0.142 nan 8.270 nan 0.000 0.521 338 L N 0.268 121.468 121.223 -0.038 0.000 2.202 338 L HA 0.040 4.386 4.340 0.010 0.000 0.205 338 L C 2.072 178.952 176.870 0.017 0.000 1.083 338 L CA 1.344 56.173 54.840 -0.018 0.000 0.790 338 L CB -0.000 42.029 42.059 -0.048 0.000 0.942 338 L HN 0.009 nan 8.230 nan 0.000 0.452 339 E N -0.195 120.002 120.200 -0.005 0.000 2.072 339 E HA -0.130 4.226 4.350 0.010 0.000 0.191 339 E C 2.224 178.856 176.600 0.053 0.000 0.985 339 E CA 1.342 57.748 56.400 0.009 0.000 0.801 339 E CB -0.183 29.503 29.700 -0.024 0.000 0.750 339 E HN 0.501 nan 8.360 nan 0.000 0.452 340 S N 1.022 116.739 115.700 0.028 0.000 2.370 340 S HA -0.176 4.300 4.470 0.010 0.000 0.226 340 S C 2.079 176.703 174.600 0.041 0.000 1.033 340 S CA 1.234 59.451 58.200 0.029 0.000 1.011 340 S CB -0.195 63.012 63.200 0.011 0.000 0.852 340 S HN 0.404 nan 8.310 nan 0.000 0.457 341 A N 1.551 124.396 122.820 0.042 0.000 1.898 341 A HA -0.173 4.153 4.320 0.010 0.000 0.216 341 A C 2.005 179.619 177.584 0.051 0.000 1.181 341 A CA 1.571 53.629 52.037 0.036 0.000 0.620 341 A CB -0.999 18.018 19.000 0.028 0.000 0.819 341 A HN 0.628 nan 8.150 nan 0.000 0.442 342 H N 0.190 119.256 119.070 -0.008 0.000 2.290 342 H HA -0.091 4.472 4.556 0.011 0.000 0.298 342 H C 2.255 177.582 175.328 -0.003 0.000 1.087 342 H CA 2.016 58.061 56.048 -0.005 0.000 1.291 342 H CB -0.153 29.605 29.762 -0.007 0.000 1.369 342 H HN 0.442 nan 8.280 nan 0.000 0.492 343 R N -0.036 120.571 120.500 0.178 0.000 2.091 343 R HA -0.106 4.240 4.340 0.010 0.000 0.238 343 R C 2.786 179.102 176.300 0.026 0.000 1.136 343 R CA 1.349 57.513 56.100 0.106 0.000 0.959 343 R CB -0.196 30.155 30.300 0.084 0.000 0.856 343 R HN 0.214 nan 8.270 nan 0.000 0.437 344 S N 0.249 115.957 115.700 0.013 0.000 2.359 344 S HA -0.126 4.351 4.470 0.010 0.000 0.224 344 S C 2.059 176.639 174.600 -0.035 0.000 1.035 344 S CA 1.385 59.582 58.200 -0.006 0.000 1.018 344 S CB -0.125 63.073 63.200 -0.002 0.000 0.876 344 S HN 0.105 nan 8.310 nan 0.000 0.448 345 V N 2.063 121.929 119.914 -0.080 0.000 2.343 345 V HA -0.164 3.963 4.120 0.010 0.000 0.247 345 V C 2.479 178.499 176.094 -0.123 0.000 1.051 345 V CA 1.748 63.976 62.300 -0.120 0.000 1.036 345 V CB -1.041 30.669 31.823 -0.189 0.000 0.654 345 V HN 0.578 nan 8.190 nan 0.000 0.451 346 V N -0.979 118.847 119.914 -0.148 0.000 2.255 346 V HA -0.282 3.845 4.120 0.010 0.000 0.247 346 V C 1.795 177.875 176.094 -0.024 0.000 1.051 346 V CA 1.911 64.161 62.300 -0.084 0.000 1.018 346 V CB -0.981 30.820 31.823 -0.037 0.000 0.641 346 V HN 0.555 nan 8.190 nan 0.000 0.445 347 Q N 0.106 119.901 119.800 -0.008 0.000 2.292 347 Q HA 0.215 4.561 4.340 0.010 0.000 0.247 347 Q C 1.044 177.050 176.000 0.011 0.000 0.911 347 Q CA 0.763 56.573 55.803 0.012 0.000 0.948 347 Q CB 0.149 28.898 28.738 0.018 0.000 1.093 347 Q HN 0.792 nan 8.270 nan 0.000 0.428 348 T N -2.502 112.054 114.554 0.003 0.000 3.168 348 T HA -0.008 4.349 4.350 0.010 0.000 0.261 348 T C 1.602 176.312 174.700 0.017 0.000 0.931 348 T CA 0.547 62.651 62.100 0.008 0.000 0.949 348 T CB 0.359 69.224 68.868 -0.006 0.000 1.229 348 T HN 0.256 nan 8.240 nan 0.000 0.504 349 V N 1.146 121.062 119.914 0.005 0.000 2.346 349 V HA 0.085 4.211 4.120 0.010 0.000 0.244 349 V C 2.380 178.520 176.094 0.077 0.000 1.037 349 V CA 1.071 63.382 62.300 0.018 0.000 1.029 349 V CB -0.751 31.055 31.823 -0.029 0.000 0.663 349 V HN 0.212 nan 8.190 nan 0.000 0.454 350 R N 0.770 121.311 120.500 0.068 0.000 2.070 350 R HA -0.126 4.220 4.340 0.010 0.000 0.233 350 R C 2.829 179.221 176.300 0.153 0.000 1.137 350 R CA 1.829 58.010 56.100 0.135 0.000 0.945 350 R CB -0.831 29.521 30.300 0.087 0.000 0.845 350 R HN 0.616 nan 8.270 nan 0.000 0.430 351 S N 0.258 116.010 115.700 0.086 0.000 2.359 351 S HA -0.195 4.281 4.470 0.010 0.000 0.223 351 S C 2.086 176.725 174.600 0.065 0.000 1.039 351 S CA 2.054 60.291 58.200 0.061 0.000 1.042 351 S CB -0.266 62.957 63.200 0.039 0.000 0.915 351 S HN 0.300 nan 8.310 nan 0.000 0.439 352 S N -0.586 115.159 115.700 0.076 0.000 2.453 352 S HA 0.003 4.479 4.470 0.010 0.000 0.231 352 S C 1.389 176.057 174.600 0.114 0.000 1.005 352 S CA 0.904 59.146 58.200 0.070 0.000 0.949 352 S CB -0.593 62.639 63.200 0.053 0.000 0.774 352 S HN 0.636 nan 8.310 nan 0.000 0.510 353 F N 3.244 123.191 119.950 -0.005 0.000 2.074 353 F HA 0.015 4.548 4.527 0.010 0.000 0.293 353 F C 1.817 177.622 175.800 0.008 0.000 1.116 353 F CA 1.670 59.669 58.000 -0.002 0.000 1.212 353 F CB -1.023 37.975 39.000 -0.003 0.000 0.998 353 F HN 0.177 nan 8.300 nan 0.000 0.471 354 N N 1.186 119.775 118.700 -0.186 0.000 2.091 354 N HA -0.233 4.514 4.740 0.010 0.000 0.193 354 N C 1.439 176.841 175.510 -0.178 0.000 1.021 354 N CA 1.676 54.569 53.050 -0.262 0.000 0.862 354 N CB -0.893 37.545 38.487 -0.082 0.000 1.018 354 N HN 0.343 nan 8.380 nan 0.000 0.429 355 N N 0.691 119.345 118.700 -0.077 0.000 2.188 355 N HA -0.060 4.687 4.740 0.010 0.000 0.184 355 N C 1.735 177.228 175.510 -0.028 0.000 1.018 355 N CA 0.348 53.378 53.050 -0.032 0.000 0.858 355 N CB -0.212 38.277 38.487 0.004 0.000 0.989 355 N HN 0.333 nan 8.380 nan 0.000 0.426 356 I N 0.503 121.045 120.570 -0.046 0.000 2.761 356 I HA -0.114 4.062 4.170 0.010 0.000 0.261 356 I C 1.264 177.367 176.117 -0.023 0.000 1.198 356 I CA 0.584 61.880 61.300 -0.008 0.000 1.482 356 I CB 0.111 38.113 38.000 0.002 0.000 1.100 356 I HN 0.015 nan 8.210 nan 0.000 0.445 357 N N 1.459 120.060 118.700 -0.164 0.000 2.092 357 N HA -0.082 4.665 4.740 0.010 0.000 0.189 357 N C 1.944 177.404 175.510 -0.082 0.000 1.040 357 N CA 1.726 54.670 53.050 -0.176 0.000 0.845 357 N CB -0.615 37.657 38.487 -0.357 0.000 1.017 357 N HN 0.364 nan 8.380 nan 0.000 0.426 358 A N 0.374 123.145 122.820 -0.081 0.000 1.986 358 A HA -0.173 4.153 4.320 0.010 0.000 0.220 358 A C 2.480 180.073 177.584 0.014 0.000 1.171 358 A CA 2.029 54.045 52.037 -0.035 0.000 0.640 358 A CB -0.908 18.075 19.000 -0.028 0.000 0.811 358 A HN 0.312 nan 8.150 nan 0.000 0.451 359 S N -0.429 115.300 115.700 0.048 0.000 2.344 359 S HA -0.139 4.337 4.470 0.010 0.000 0.217 359 S C 1.866 176.531 174.600 0.107 0.000 1.033 359 S CA 1.584 59.854 58.200 0.117 0.000 1.017 359 S CB -0.464 62.851 63.200 0.192 0.000 0.941 359 S HN 0.519 nan 8.310 nan 0.000 0.430 360 I N 0.656 121.288 120.570 0.104 0.000 2.226 360 I HA -0.138 4.038 4.170 0.010 0.000 0.245 360 I C 2.675 178.788 176.117 -0.006 0.000 1.100 360 I CA 1.149 62.465 61.300 0.026 0.000 1.374 360 I CB -0.479 37.540 38.000 0.032 0.000 1.057 360 I HN 0.285 nan 8.210 nan 0.000 0.413 361 S N -0.258 115.435 115.700 -0.012 0.000 2.383 361 S HA -0.213 4.264 4.470 0.010 0.000 0.229 361 S C 2.257 176.830 174.600 -0.046 0.000 1.030 361 S CA 1.932 60.111 58.200 -0.036 0.000 1.002 361 S CB -0.224 62.947 63.200 -0.048 0.000 0.829 361 S HN 0.434 nan 8.310 nan 0.000 0.467 362 S N 0.624 116.315 115.700 -0.015 0.000 2.371 362 S HA -0.014 4.462 4.470 0.010 0.000 0.224 362 S C 1.810 176.438 174.600 0.047 0.000 1.029 362 S CA 0.948 59.144 58.200 -0.006 0.000 0.978 362 S CB -0.373 62.890 63.200 0.105 0.000 0.833 362 S HN 0.459 nan 8.310 nan 0.000 0.466 363 I N 2.999 123.601 120.570 0.054 0.000 2.118 363 I HA -0.211 3.965 4.170 0.010 0.000 0.241 363 I C 2.029 178.150 176.117 0.008 0.000 1.070 363 I CA 1.426 62.745 61.300 0.033 0.000 1.327 363 I CB -2.072 35.919 38.000 -0.016 0.000 1.034 363 I HN 0.348 nan 8.210 nan 0.000 0.405 364 N N 1.656 120.342 118.700 -0.023 0.000 2.025 364 N HA -0.167 4.579 4.740 0.010 0.000 0.194 364 N C 1.988 177.463 175.510 -0.057 0.000 1.044 364 N CA 1.980 55.007 53.050 -0.038 0.000 0.851 364 N CB -0.779 37.680 38.487 -0.046 0.000 1.036 364 N HN 0.416 nan 8.380 nan 0.000 0.422 365 A N 0.572 123.325 122.820 -0.111 0.000 1.873 365 A HA -0.190 4.136 4.320 0.010 0.000 0.218 365 A C 1.955 179.427 177.584 -0.187 0.000 1.193 365 A CA 1.486 53.404 52.037 -0.198 0.000 0.629 365 A CB -1.124 17.676 19.000 -0.332 0.000 0.826 365 A HN 0.362 nan 8.150 nan 0.000 0.447 366 Y N -0.359 119.913 120.300 -0.047 0.000 2.509 366 Y HA -0.026 4.530 4.550 0.010 0.000 0.293 366 Y C 2.270 178.127 175.900 -0.071 0.000 1.133 366 Y CA 1.242 59.308 58.100 -0.057 0.000 1.283 366 Y CB -0.214 38.213 38.460 -0.055 0.000 1.001 366 Y HN 0.362 nan 8.280 nan 0.000 0.555 367 K N 0.068 120.502 120.400 0.057 0.000 2.155 367 K HA -0.182 4.145 4.320 0.010 0.000 0.203 367 K C 2.152 178.744 176.600 -0.015 0.000 1.052 367 K CA 1.064 57.352 56.287 0.002 0.000 0.948 367 K CB 0.026 32.515 32.500 -0.018 0.000 0.728 367 K HN 0.306 nan 8.250 nan 0.000 0.448 368 Q N -0.348 119.440 119.800 -0.020 0.000 2.163 368 Q HA -0.023 4.323 4.340 0.010 0.000 0.198 368 Q C 1.870 177.856 176.000 -0.023 0.000 0.954 368 Q CA 0.872 56.658 55.803 -0.028 0.000 0.851 368 Q CB 0.044 28.759 28.738 -0.038 0.000 0.928 368 Q HN 0.373 nan 8.270 nan 0.000 0.459 369 A N 0.184 122.999 122.820 -0.008 0.000 1.940 369 A HA -0.154 4.172 4.320 0.010 0.000 0.219 369 A C 2.155 179.736 177.584 -0.006 0.000 1.176 369 A CA 1.561 53.604 52.037 0.011 0.000 0.631 369 A CB -0.696 18.352 19.000 0.081 0.000 0.814 369 A HN 0.285 nan 8.150 nan 0.000 0.446 370 V N -0.690 119.213 119.914 -0.018 0.000 2.427 370 V HA -0.194 3.932 4.120 0.010 0.000 0.248 370 V C 2.554 178.603 176.094 -0.074 0.000 1.051 370 V CA 1.756 64.012 62.300 -0.073 0.000 1.048 370 V CB -0.528 31.236 31.823 -0.098 0.000 0.666 370 V HN 0.383 nan 8.190 nan 0.000 0.456 371 V N 0.992 120.875 119.914 -0.051 0.000 2.237 371 V HA -0.240 3.886 4.120 0.010 0.000 0.245 371 V C 2.715 178.785 176.094 -0.041 0.000 1.046 371 V CA 2.481 64.754 62.300 -0.046 0.000 1.007 371 V CB -0.834 30.968 31.823 -0.035 0.000 0.638 371 V HN 0.771 nan 8.190 nan 0.000 0.445 372 S N 1.046 116.726 115.700 -0.034 0.000 2.442 372 S HA -0.081 4.396 4.470 0.010 0.000 0.236 372 S C 1.859 176.440 174.600 -0.031 0.000 1.007 372 S CA 1.127 59.310 58.200 -0.029 0.000 0.965 372 S CB -0.534 62.652 63.200 -0.024 0.000 0.773 372 S HN 0.589 nan 8.310 nan 0.000 0.504 373 A N 0.763 123.558 122.820 -0.042 0.000 2.248 373 A HA 0.093 4.420 4.320 0.010 0.000 0.210 373 A C 1.754 179.303 177.584 -0.057 0.000 1.174 373 A CA 0.430 52.436 52.037 -0.051 0.000 0.750 373 A CB -0.330 18.626 19.000 -0.073 0.000 0.780 373 A HN 0.467 nan 8.150 nan 0.000 0.478 374 Q N -0.159 119.611 119.800 -0.050 0.000 2.239 374 Q HA 0.042 4.388 4.340 0.010 0.000 0.219 374 Q C 1.624 177.610 176.000 -0.023 0.000 0.901 374 Q CA 0.674 56.452 55.803 -0.041 0.000 0.949 374 Q CB -0.185 28.529 28.738 -0.041 0.000 1.038 374 Q HN 0.680 nan 8.270 nan 0.000 0.458 375 S N -0.173 115.515 115.700 -0.020 0.000 2.399 375 S HA -0.171 4.306 4.470 0.010 0.000 0.231 375 S C 2.026 176.623 174.600 -0.006 0.000 1.022 375 S CA 1.662 59.856 58.200 -0.010 0.000 0.983 375 S CB 0.152 63.346 63.200 -0.010 0.000 0.803 375 S HN 0.408 nan 8.310 nan 0.000 0.480 376 S N 0.575 116.268 115.700 -0.012 0.000 2.356 376 S HA -0.103 4.373 4.470 0.010 0.000 0.223 376 S C 1.756 176.357 174.600 0.003 0.000 1.032 376 S CA 1.386 59.582 58.200 -0.006 0.000 1.005 376 S CB -0.818 62.375 63.200 -0.011 0.000 0.867 376 S HN 0.528 nan 8.310 nan 0.000 0.449 377 L N 2.421 123.641 121.223 -0.006 0.000 1.941 377 L HA -0.119 4.227 4.340 0.010 0.000 0.224 377 L C 1.517 178.397 176.870 0.016 0.000 1.081 377 L CA 2.682 57.523 54.840 0.002 0.000 0.784 377 L CB -1.045 41.008 42.059 -0.009 0.000 0.894 377 L HN 0.617 nan 8.230 nan 0.000 0.436 378 D N -1.363 119.044 120.400 0.012 0.000 2.197 378 D HA 0.206 4.852 4.640 0.010 0.000 0.290 378 D C 1.574 177.889 176.300 0.026 0.000 1.145 378 D CA 0.532 54.544 54.000 0.019 0.000 1.061 378 D CB -0.908 39.899 40.800 0.012 0.000 1.151 378 D HN 0.469 nan 8.370 nan 0.000 0.504 379 A N -0.888 121.947 122.820 0.024 0.000 1.295 379 A HA -0.383 3.943 4.320 0.010 0.000 0.372 379 A C 2.032 179.641 177.584 0.042 0.000 5.011 379 A CA 4.031 56.084 52.037 0.027 0.000 1.093 379 A CB -1.583 17.427 19.000 0.017 0.000 1.461 379 A HN 0.531 nan 8.150 nan 0.000 0.720 380 M N -1.617 118.008 119.600 0.040 0.000 2.171 380 M HA 0.042 4.528 4.480 0.010 0.000 0.260 380 M C 2.057 178.414 176.300 0.094 0.000 1.087 380 M CA 1.688 57.018 55.300 0.051 0.000 1.154 380 M CB -1.583 31.026 32.600 0.015 0.000 1.331 380 M HN 0.590 nan 8.290 nan 0.000 0.431 381 E N 0.614 120.861 120.200 0.078 0.000 2.077 381 E HA -0.105 4.251 4.350 0.010 0.000 0.193 381 E C 2.062 178.754 176.600 0.153 0.000 0.989 381 E CA 1.409 57.884 56.400 0.124 0.000 0.800 381 E CB -0.173 29.576 29.700 0.081 0.000 0.746 381 E HN 0.431 nan 8.360 nan 0.000 0.452 382 A N 1.262 124.139 122.820 0.095 0.000 1.851 382 A HA -0.122 4.205 4.320 0.010 0.000 0.216 382 A C 2.512 180.141 177.584 0.074 0.000 1.195 382 A CA 2.112 54.192 52.037 0.071 0.000 0.622 382 A CB -1.199 17.828 19.000 0.045 0.000 0.831 382 A HN 0.352 nan 8.150 nan 0.000 0.444 383 G N -1.789 107.062 108.800 0.085 0.000 2.422 383 G HA2 -0.140 3.827 3.960 0.010 0.000 0.218 383 G HA3 -0.140 3.827 3.960 0.010 0.000 0.218 383 G C 1.431 176.391 174.900 0.100 0.000 1.140 383 G CA 1.033 46.178 45.100 0.074 0.000 0.775 383 G HN 0.481 nan 8.290 nan 0.000 0.545 384 F N 2.880 122.834 119.950 0.007 0.000 2.134 384 F HA -0.153 4.380 4.527 0.011 0.000 0.299 384 F C 2.912 178.716 175.800 0.006 0.000 1.097 384 F CA 1.913 59.917 58.000 0.007 0.000 1.264 384 F CB -0.354 38.651 39.000 0.009 0.000 1.001 384 F HN 0.239 nan 8.300 nan 0.000 0.479 385 S N 0.064 115.704 115.700 -0.099 0.000 2.402 385 S HA -0.116 4.360 4.470 0.010 0.000 0.229 385 S C 1.616 176.112 174.600 -0.174 0.000 1.021 385 S CA 1.105 59.189 58.200 -0.193 0.000 0.974 385 S CB -1.308 61.880 63.200 -0.020 0.000 0.800 385 S HN 0.377 nan 8.310 nan 0.000 0.484 386 V N -2.103 117.749 119.914 -0.102 0.000 3.421 386 V HA 0.702 4.828 4.120 0.010 0.000 0.316 386 V C 1.441 177.484 176.094 -0.085 0.000 1.347 386 V CA 0.010 62.264 62.300 -0.078 0.000 1.183 386 V CB -1.034 30.768 31.823 -0.035 0.000 1.092 386 V HN 0.755 nan 8.190 nan 0.000 0.433 387 G N 0.077 108.793 108.800 -0.140 0.000 2.179 387 G HA2 -0.334 3.633 3.960 0.010 0.000 0.260 387 G HA3 -0.334 3.633 3.960 0.010 0.000 0.260 387 G C 0.685 175.561 174.900 -0.040 0.000 0.977 387 G CA 0.843 45.874 45.100 -0.115 0.000 0.641 387 G HN 0.507 nan 8.290 nan 0.000 0.533 388 T N 0.601 115.149 114.554 -0.010 0.000 2.732 388 T HA 0.112 4.469 4.350 0.010 0.000 0.261 388 T C 0.962 175.697 174.700 0.058 0.000 1.040 388 T CA 1.472 63.586 62.100 0.023 0.000 1.145 388 T CB -0.010 68.873 68.868 0.024 0.000 0.866 388 T HN 0.495 nan 8.240 nan 0.000 0.427 389 E N 1.577 121.841 120.200 0.107 0.000 2.214 389 E HA 0.306 4.662 4.350 0.010 0.000 0.274 389 E C -0.280 176.453 176.600 0.221 0.000 0.977 389 E CA -0.198 56.284 56.400 0.138 0.000 0.827 389 E CB 1.622 31.402 29.700 0.133 0.000 1.130 389 E HN 0.125 nan 8.360 nan 0.000 0.394 390 T N 1.649 116.295 114.554 0.153 0.000 2.907 390 T HA 0.118 4.474 4.350 0.010 0.000 0.298 390 T C 1.452 176.228 174.700 0.127 0.000 1.017 390 T CA -0.399 61.797 62.100 0.161 0.000 1.118 390 T CB 0.273 69.193 68.868 0.087 0.000 0.948 390 T HN 0.559 nan 8.240 nan 0.000 0.531 391 I N 5.007 125.661 120.570 0.141 0.000 2.194 391 I HA -0.192 3.984 4.170 0.010 0.000 0.246 391 I C 2.257 178.292 176.117 -0.137 0.000 1.093 391 I CA 2.417 63.628 61.300 -0.147 0.000 1.355 391 I CB -0.264 37.696 38.000 -0.067 0.000 1.046 391 I HN 0.778 nan 8.210 nan 0.000 0.413 392 V N -0.720 119.168 119.914 -0.044 0.000 2.324 392 V HA -0.323 3.803 4.120 0.010 0.000 0.250 392 V C 1.938 178.007 176.094 -0.042 0.000 1.060 392 V CA 2.460 64.738 62.300 -0.037 0.000 1.042 392 V CB -1.398 30.419 31.823 -0.011 0.000 0.650 392 V HN 0.378 nan 8.190 nan 0.000 0.450 393 D N 0.721 121.102 120.400 -0.031 0.000 2.149 393 D HA -0.061 4.585 4.640 0.010 0.000 0.201 393 D C 2.137 178.407 176.300 -0.051 0.000 0.972 393 D CA 1.465 55.450 54.000 -0.025 0.000 0.835 393 D CB -0.368 40.433 40.800 0.001 0.000 0.966 393 D HN 0.448 nan 8.370 nan 0.000 0.476 394 V N 0.576 120.426 119.914 -0.107 0.000 2.515 394 V HA -0.165 3.961 4.120 0.010 0.000 0.250 394 V C 2.336 178.349 176.094 -0.135 0.000 1.058 394 V CA 1.028 63.233 62.300 -0.158 0.000 1.064 394 V CB -0.510 31.088 31.823 -0.374 0.000 0.675 394 V HN 0.208 nan 8.190 nan 0.000 0.461 395 L N -0.155 120.991 121.223 -0.129 0.000 2.027 395 L HA -0.145 4.202 4.340 0.010 0.000 0.206 395 L C 2.358 179.207 176.870 -0.034 0.000 1.074 395 L CA 1.550 56.344 54.840 -0.076 0.000 0.745 395 L CB -0.711 41.309 42.059 -0.065 0.000 0.898 395 L HN 0.272 nan 8.230 nan 0.000 0.433 396 D N 0.143 120.525 120.400 -0.030 0.000 2.182 396 D HA -0.164 4.482 4.640 0.010 0.000 0.201 396 D C 2.180 178.477 176.300 -0.005 0.000 0.986 396 D CA 1.394 55.386 54.000 -0.013 0.000 0.847 396 D CB -0.042 40.751 40.800 -0.011 0.000 0.942 396 D HN 0.337 nan 8.370 nan 0.000 0.467 397 A N 0.318 123.131 122.820 -0.011 0.000 1.898 397 A HA -0.109 4.217 4.320 0.010 0.000 0.216 397 A C 2.166 179.760 177.584 0.017 0.000 1.181 397 A CA 2.025 54.060 52.037 -0.004 0.000 0.620 397 A CB -0.870 18.123 19.000 -0.012 0.000 0.819 397 A HN 0.342 nan 8.150 nan 0.000 0.442 398 T N -2.121 112.450 114.554 0.027 0.000 3.215 398 T HA 0.026 4.383 4.350 0.010 0.000 0.254 398 T C 1.332 176.124 174.700 0.153 0.000 1.149 398 T CA 1.435 63.594 62.100 0.099 0.000 1.042 398 T CB -0.506 68.406 68.868 0.072 0.000 0.966 398 T HN 0.617 nan 8.240 nan 0.000 0.534 399 T N -1.655 112.950 114.554 0.084 0.000 3.071 399 T HA 0.010 4.367 4.350 0.010 0.000 0.239 399 T C 2.055 176.802 174.700 0.078 0.000 0.997 399 T CA 0.714 62.864 62.100 0.084 0.000 1.134 399 T CB -0.970 67.914 68.868 0.027 0.000 0.928 399 T HN 0.203 nan 8.240 nan 0.000 0.453 400 T N 2.934 117.510 114.554 0.036 0.000 2.721 400 T HA -0.084 4.272 4.350 0.010 0.000 0.268 400 T C 1.767 176.457 174.700 -0.016 0.000 1.038 400 T CA 1.675 63.782 62.100 0.012 0.000 1.145 400 T CB -0.634 68.236 68.868 0.003 0.000 0.858 400 T HN 0.256 nan 8.240 nan 0.000 0.459 401 L N -0.065 121.138 121.223 -0.035 0.000 1.994 401 L HA -0.053 4.293 4.340 0.010 0.000 0.208 401 L C 2.074 178.787 176.870 -0.263 0.000 1.071 401 L CA 1.765 56.511 54.840 -0.158 0.000 0.745 401 L CB -0.700 41.230 42.059 -0.214 0.000 0.892 401 L HN 0.258 nan 8.230 nan 0.000 0.431 402 Y N -0.584 119.628 120.300 -0.145 0.000 2.395 402 Y HA -0.071 4.485 4.550 0.010 0.000 0.293 402 Y C 2.226 178.025 175.900 -0.169 0.000 1.123 402 Y CA 1.113 59.089 58.100 -0.207 0.000 1.227 402 Y CB -0.457 37.923 38.460 -0.132 0.000 1.012 402 Y HN 0.304 nan 8.280 nan 0.000 0.552 403 N N -0.433 118.286 118.700 0.031 0.000 2.573 403 N HA -0.057 4.690 4.740 0.010 0.000 0.187 403 N C 1.500 176.970 175.510 -0.067 0.000 1.107 403 N CA 0.921 53.965 53.050 -0.009 0.000 0.918 403 N CB -0.055 38.437 38.487 0.008 0.000 0.966 403 N HN 0.375 nan 8.380 nan 0.000 0.448 404 A N -0.306 122.451 122.820 -0.105 0.000 2.035 404 A HA 0.127 4.454 4.320 0.010 0.000 0.208 404 A C 1.947 179.401 177.584 -0.217 0.000 1.206 404 A CA 0.225 52.187 52.037 -0.125 0.000 0.773 404 A CB 0.202 19.170 19.000 -0.053 0.000 0.878 404 A HN -0.067 nan 8.150 nan 0.000 0.469 405 K N 0.703 120.906 120.400 -0.328 0.000 2.063 405 K HA -0.158 4.169 4.320 0.010 0.000 0.208 405 K C 2.002 178.431 176.600 -0.285 0.000 1.048 405 K CA 1.747 57.716 56.287 -0.530 0.000 0.928 405 K CB -0.460 31.330 32.500 -1.183 0.000 0.713 405 K HN 0.679 nan 8.250 nan 0.000 0.442 406 Q N 0.413 120.138 119.800 -0.126 0.000 2.079 406 Q HA -0.102 4.244 4.340 0.010 0.000 0.200 406 Q C 1.942 177.910 176.000 -0.053 0.000 0.974 406 Q CA 0.817 56.685 55.803 0.108 0.000 0.840 406 Q CB 0.002 28.810 28.738 0.116 0.000 0.898 406 Q HN 0.251 nan 8.270 nan 0.000 0.430 407 E N 0.835 120.894 120.200 -0.234 0.000 2.118 407 E HA -0.200 4.156 4.350 0.010 0.000 0.195 407 E C 2.022 178.328 176.600 -0.489 0.000 0.992 407 E CA 0.793 56.883 56.400 -0.516 0.000 0.804 407 E CB -0.183 28.916 29.700 -1.001 0.000 0.741 407 E HN 0.202 nan 8.360 nan 0.000 0.458 408 L N 0.892 121.931 121.223 -0.308 0.000 1.973 408 L HA -0.095 4.252 4.340 0.010 0.000 0.208 408 L C 2.315 179.112 176.870 -0.122 0.000 1.073 408 L CA 2.251 56.999 54.840 -0.152 0.000 0.746 408 L CB -0.973 41.027 42.059 -0.099 0.000 0.891 408 L HN 0.051 nan 8.230 nan 0.000 0.433 409 A N -0.402 122.389 122.820 -0.048 0.000 1.908 409 A HA -0.326 4.001 4.320 0.010 0.000 0.218 409 A C 2.170 179.766 177.584 0.021 0.000 1.181 409 A CA 2.159 54.170 52.037 -0.043 0.000 0.627 409 A CB -1.243 17.840 19.000 0.137 0.000 0.818 409 A HN 0.696 nan 8.150 nan 0.000 0.445 410 N N 0.226 118.975 118.700 0.081 0.000 2.104 410 N HA -0.108 4.639 4.740 0.010 0.000 0.190 410 N C 1.673 177.226 175.510 0.070 0.000 1.024 410 N CA 2.205 55.325 53.050 0.117 0.000 0.853 410 N CB -0.381 38.129 38.487 0.038 0.000 1.008 410 N HN 0.360 nan 8.380 nan 0.000 0.424 411 A N 0.337 123.150 122.820 -0.012 0.000 1.969 411 A HA -0.060 4.266 4.320 0.010 0.000 0.218 411 A C 2.272 179.868 177.584 0.019 0.000 1.169 411 A CA 1.016 53.071 52.037 0.029 0.000 0.635 411 A CB -0.495 18.546 19.000 0.068 0.000 0.810 411 A HN 0.340 nan 8.150 nan 0.000 0.445 412 R N -1.734 118.690 120.500 -0.127 0.000 2.073 412 R HA -0.141 4.206 4.340 0.010 0.000 0.234 412 R C 1.863 178.082 176.300 -0.135 0.000 1.134 412 R CA 1.805 57.753 56.100 -0.253 0.000 0.952 412 R CB -0.442 29.424 30.300 -0.723 0.000 0.850 412 R HN 0.670 nan 8.270 nan 0.000 0.433 413 Y N 0.692 120.954 120.300 -0.063 0.000 2.421 413 Y HA -0.090 4.467 4.550 0.010 0.000 0.292 413 Y C 2.060 177.923 175.900 -0.062 0.000 1.136 413 Y CA 0.669 58.682 58.100 -0.144 0.000 1.255 413 Y CB -0.304 38.099 38.460 -0.096 0.000 0.991 413 Y HN 0.088 nan 8.280 nan 0.000 0.552 414 N N -0.827 117.963 118.700 0.150 0.000 2.270 414 N HA -0.205 4.541 4.740 0.010 0.000 0.181 414 N C 1.760 177.345 175.510 0.125 0.000 1.016 414 N CA 1.063 54.188 53.050 0.124 0.000 0.870 414 N CB -0.491 38.064 38.487 0.113 0.000 0.979 414 N HN 0.468 nan 8.380 nan 0.000 0.431 415 Y N 1.982 122.300 120.300 0.031 0.000 2.089 415 Y HA -0.073 4.483 4.550 0.011 0.000 0.282 415 Y C 2.258 178.164 175.900 0.011 0.000 1.139 415 Y CA 1.368 59.491 58.100 0.040 0.000 1.123 415 Y CB -0.594 37.929 38.460 0.105 0.000 0.980 415 Y HN -0.082 nan 8.280 nan 0.000 0.493 416 L N 0.697 121.909 121.223 -0.018 0.000 2.189 416 L HA -0.183 4.163 4.340 0.010 0.000 0.214 416 L C 1.891 178.678 176.870 -0.139 0.000 1.097 416 L CA 1.863 56.588 54.840 -0.191 0.000 0.764 416 L CB -0.743 41.127 42.059 -0.315 0.000 0.900 416 L HN 0.565 nan 8.230 nan 0.000 0.436 417 I N -4.928 115.611 120.570 -0.052 0.000 3.914 417 I HA 0.193 4.369 4.170 0.010 0.000 0.333 417 I C 0.980 177.095 176.117 -0.003 0.000 1.449 417 I CA 0.174 61.498 61.300 0.040 0.000 1.135 417 I CB -0.032 38.057 38.000 0.148 0.000 1.073 417 I HN -0.058 nan 8.210 nan 0.000 0.401 418 N N 0.656 119.310 118.700 -0.077 0.000 2.348 418 N HA 0.083 4.829 4.740 0.010 0.000 0.183 418 N C 1.493 176.935 175.510 -0.114 0.000 1.094 418 N CA 0.465 53.473 53.050 -0.069 0.000 0.885 418 N CB 0.126 38.585 38.487 -0.047 0.000 1.065 418 N HN 0.467 nan 8.380 nan 0.000 0.472 419 Q N 0.086 119.757 119.800 -0.215 0.000 2.016 419 Q HA -0.015 4.332 4.340 0.010 0.000 0.200 419 Q C 1.219 177.161 176.000 -0.095 0.000 0.978 419 Q CA 0.989 56.676 55.803 -0.194 0.000 0.833 419 Q CB -0.069 28.492 28.738 -0.295 0.000 0.895 419 Q HN 0.160 nan 8.270 nan 0.000 0.427 420 L N 1.356 122.539 121.223 -0.068 0.000 2.083 420 L HA -0.183 4.164 4.340 0.010 0.000 0.209 420 L C 1.845 178.706 176.870 -0.015 0.000 1.083 420 L CA 1.552 56.376 54.840 -0.026 0.000 0.752 420 L CB -0.844 41.225 42.059 0.016 0.000 0.899 420 L HN 0.193 nan 8.230 nan 0.000 0.433 421 N N -0.508 118.186 118.700 -0.009 0.000 2.149 421 N HA -0.146 4.600 4.740 0.010 0.000 0.188 421 N C 1.930 177.439 175.510 -0.002 0.000 1.019 421 N CA 1.175 54.225 53.050 0.001 0.000 0.857 421 N CB -0.200 38.293 38.487 0.009 0.000 0.997 421 N HN 0.311 nan 8.380 nan 0.000 0.426 422 I N 0.973 121.539 120.570 -0.007 0.000 2.202 422 I HA -0.240 3.936 4.170 0.010 0.000 0.242 422 I C 1.993 178.102 176.117 -0.012 0.000 1.091 422 I CA 1.060 62.360 61.300 0.000 0.000 1.368 422 I CB -0.119 37.886 38.000 0.008 0.000 1.058 422 I HN 0.094 nan 8.210 nan 0.000 0.410 423 K N 0.124 120.511 120.400 -0.022 0.000 2.152 423 K HA -0.195 4.132 4.320 0.010 0.000 0.206 423 K C 2.303 178.890 176.600 -0.022 0.000 1.048 423 K CA 1.591 57.862 56.287 -0.026 0.000 0.933 423 K CB -0.313 32.167 32.500 -0.035 0.000 0.721 423 K HN 0.235 nan 8.250 nan 0.000 0.447 424 S N 0.838 116.528 115.700 -0.017 0.000 2.368 424 S HA -0.140 4.336 4.470 0.010 0.000 0.225 424 S C 2.084 176.675 174.600 -0.015 0.000 1.030 424 S CA 1.251 59.442 58.200 -0.014 0.000 0.999 424 S CB -0.105 63.091 63.200 -0.007 0.000 0.844 424 S HN 0.382 nan 8.310 nan 0.000 0.459 425 A N 1.144 123.956 122.820 -0.014 0.000 1.969 425 A HA 0.164 4.490 4.320 0.010 0.000 0.218 425 A C 2.107 179.676 177.584 -0.026 0.000 1.169 425 A CA 1.119 53.145 52.037 -0.019 0.000 0.635 425 A CB -0.593 18.398 19.000 -0.015 0.000 0.810 425 A HN 0.590 nan 8.150 nan 0.000 0.445 426 L N -1.313 119.895 121.223 -0.025 0.000 2.395 426 L HA 0.111 4.458 4.340 0.010 0.000 0.218 426 L C 1.821 178.678 176.870 -0.022 0.000 1.130 426 L CA 0.585 55.409 54.840 -0.027 0.000 0.826 426 L CB -0.536 41.507 42.059 -0.027 0.000 0.941 426 L HN 0.572 nan 8.230 nan 0.000 0.451 427 G N 0.547 109.335 108.800 -0.020 0.000 2.153 427 G HA2 -0.330 3.637 3.960 0.010 0.000 0.252 427 G HA3 -0.330 3.637 3.960 0.010 0.000 0.252 427 G C 0.758 175.647 174.900 -0.017 0.000 0.994 427 G CA 0.740 45.830 45.100 -0.017 0.000 0.698 427 G HN 0.427 nan 8.290 nan 0.000 0.521 428 T N -1.951 112.590 114.554 -0.021 0.000 3.105 428 T HA 0.507 4.864 4.350 0.010 0.000 0.253 428 T C 1.051 175.733 174.700 -0.031 0.000 1.047 428 T CA -0.089 61.997 62.100 -0.023 0.000 0.944 428 T CB 0.622 69.476 68.868 -0.023 0.000 1.016 428 T HN 0.488 nan 8.240 nan 0.000 0.544 429 L N 3.624 124.828 121.223 -0.033 0.000 2.530 429 L HA 0.343 4.689 4.340 0.010 0.000 0.273 429 L C -0.039 176.800 176.870 -0.052 0.000 1.141 429 L CA -0.055 54.759 54.840 -0.043 0.000 0.905 429 L CB -0.105 41.933 42.059 -0.035 0.000 1.202 429 L HN 0.630 nan 8.230 nan 0.000 0.473 430 N N 0.447 119.103 118.700 -0.073 0.000 3.243 430 N HA 0.116 4.862 4.740 0.010 0.000 0.280 430 N C 0.136 175.554 175.510 -0.154 0.000 1.545 430 N CA -0.888 52.110 53.050 -0.086 0.000 0.854 430 N CB 0.648 39.103 38.487 -0.053 0.000 1.612 430 N HN 0.369 nan 8.380 nan 0.000 0.577 431 E N -0.998 119.105 120.200 -0.162 0.000 2.267 431 E HA -0.232 4.124 4.350 0.010 0.000 0.197 431 E C 0.973 177.461 176.600 -0.186 0.000 0.998 431 E CA 1.339 57.594 56.400 -0.242 0.000 0.830 431 E CB 0.079 29.707 29.700 -0.120 0.000 0.751 431 E HN 0.435 nan 8.360 nan 0.000 0.491 432 Q N 0.501 120.231 119.800 -0.118 0.000 2.119 432 Q HA -0.133 4.213 4.340 0.010 0.000 0.201 432 Q C 1.514 177.458 176.000 -0.094 0.000 0.972 432 Q CA 1.048 56.798 55.803 -0.088 0.000 0.847 432 Q CB -0.064 28.639 28.738 -0.058 0.000 0.903 432 Q HN 0.426 nan 8.270 nan 0.000 0.433 433 D N -0.065 120.272 120.400 -0.106 0.000 2.312 433 D HA -0.082 4.564 4.640 0.010 0.000 0.211 433 D C 1.670 177.913 176.300 -0.096 0.000 0.964 433 D CA 0.356 54.302 54.000 -0.089 0.000 0.877 433 D CB 0.302 41.053 40.800 -0.082 0.000 0.924 433 D HN 0.129 nan 8.370 nan 0.000 0.515 434 L N 1.076 122.208 121.223 -0.151 0.000 2.131 434 L HA -0.030 4.317 4.340 0.010 0.000 0.206 434 L C 2.152 178.955 176.870 -0.111 0.000 1.087 434 L CA 0.631 55.376 54.840 -0.158 0.000 0.767 434 L CB -0.713 41.168 42.059 -0.297 0.000 0.917 434 L HN 0.081 nan 8.230 nan 0.000 0.441 435 L N -0.352 120.808 121.223 -0.105 0.000 2.127 435 L HA -0.219 4.127 4.340 0.010 0.000 0.211 435 L C 2.396 179.242 176.870 -0.041 0.000 1.089 435 L CA 1.983 56.783 54.840 -0.067 0.000 0.757 435 L CB -0.779 41.244 42.059 -0.060 0.000 0.899 435 L HN 0.312 nan 8.230 nan 0.000 0.434 436 A N 0.360 123.156 122.820 -0.039 0.000 1.845 436 A HA -0.200 4.127 4.320 0.010 0.000 0.215 436 A C 2.151 179.737 177.584 0.002 0.000 1.195 436 A CA 1.681 53.705 52.037 -0.022 0.000 0.616 436 A CB -0.815 18.167 19.000 -0.030 0.000 0.832 436 A HN 0.506 nan 8.150 nan 0.000 0.443 437 L N -0.576 120.657 121.223 0.018 0.000 2.362 437 L HA -0.113 4.233 4.340 0.010 0.000 0.219 437 L C 2.155 179.083 176.870 0.097 0.000 1.134 437 L CA 1.271 56.163 54.840 0.086 0.000 0.807 437 L CB -0.704 41.455 42.059 0.166 0.000 0.927 437 L HN 0.544 nan 8.230 nan 0.000 0.447 438 N N 0.101 118.818 118.700 0.027 0.000 2.409 438 N HA -0.120 4.627 4.740 0.010 0.000 0.179 438 N C 1.564 177.101 175.510 0.044 0.000 1.032 438 N CA 0.473 53.533 53.050 0.017 0.000 0.898 438 N CB 0.228 38.695 38.487 -0.033 0.000 0.971 438 N HN 0.266 nan 8.380 nan 0.000 0.441 439 N N 0.475 119.199 118.700 0.039 0.000 2.216 439 N HA -0.029 4.717 4.740 0.010 0.000 0.183 439 N C 1.500 177.050 175.510 0.066 0.000 1.017 439 N CA 0.980 54.055 53.050 0.041 0.000 0.861 439 N CB -0.505 37.995 38.487 0.021 0.000 0.986 439 N HN 0.228 nan 8.380 nan 0.000 0.428 440 A N 1.206 124.079 122.820 0.088 0.000 1.972 440 A HA -0.015 4.311 4.320 0.010 0.000 0.219 440 A C 1.056 178.739 177.584 0.164 0.000 1.169 440 A CA 0.731 52.846 52.037 0.129 0.000 0.635 440 A CB -0.662 18.433 19.000 0.158 0.000 0.810 440 A HN 0.197 nan 8.150 nan 0.000 0.446 441 L N -0.836 120.493 121.223 0.176 0.000 2.466 441 L HA 0.397 4.743 4.340 0.010 0.000 0.257 441 L C 1.395 178.342 176.870 0.127 0.000 1.189 441 L CA 0.242 55.194 54.840 0.188 0.000 0.813 441 L CB 1.085 43.284 42.059 0.234 0.000 1.118 441 L HN 0.470 nan 8.230 nan 0.000 0.471 442 S N -1.396 114.375 115.700 0.118 0.000 4.738 442 S HA 0.054 4.530 4.470 0.010 0.000 0.176 442 S C 0.102 174.748 174.600 0.077 0.000 1.108 442 S CA -0.648 57.602 58.200 0.085 0.000 1.277 442 S CB -0.138 63.103 63.200 0.070 0.000 1.680 442 S HN 0.430 nan 8.310 nan 0.000 0.502 443 K N 4.677 125.123 120.400 0.076 0.000 2.382 443 K HA 0.325 4.651 4.320 0.010 0.000 0.286 443 K C -2.752 173.885 176.600 0.061 0.000 1.062 443 K CA -1.587 54.736 56.287 0.060 0.000 1.000 443 K CB 0.428 32.959 32.500 0.052 0.000 0.954 443 K HN 0.354 nan 8.250 nan 0.000 0.470 444 P HA -0.017 nan 4.420 nan 0.000 0.274 444 P C -0.597 176.723 177.300 0.033 0.000 1.291 444 P CA -0.321 62.806 63.100 0.046 0.000 0.815 444 P CB 0.486 32.212 31.700 0.043 0.000 0.897 445 V N 1.506 121.435 119.914 0.025 0.000 2.581 445 V HA 0.647 4.773 4.120 0.010 0.000 0.303 445 V C 0.415 176.509 176.094 0.001 0.000 1.041 445 V CA -1.003 61.303 62.300 0.009 0.000 0.907 445 V CB 1.448 33.270 31.823 -0.002 0.000 0.994 445 V HN 0.534 nan 8.190 nan 0.000 0.442 446 S N 2.712 118.412 115.700 0.000 0.000 2.592 446 S HA 0.254 4.730 4.470 0.010 0.000 0.271 446 S C 1.118 175.711 174.600 -0.011 0.000 1.326 446 S CA 0.327 58.528 58.200 0.002 0.000 1.024 446 S CB 1.189 64.390 63.200 0.003 0.000 0.921 446 S HN 1.449 nan 8.310 nan 0.000 0.527 447 T N -0.761 113.792 114.554 -0.001 0.000 3.057 447 T HA 0.173 4.529 4.350 0.010 0.000 0.254 447 T C 0.619 175.309 174.700 -0.017 0.000 1.094 447 T CA 0.259 62.352 62.100 -0.011 0.000 1.088 447 T CB -0.462 68.418 68.868 0.020 0.000 0.934 447 T HN 0.584 nan 8.240 nan 0.000 0.497 448 N N 2.475 121.166 118.700 -0.016 0.000 2.757 448 N HA 0.387 5.133 4.740 0.010 0.000 0.296 448 N C -3.077 172.418 175.510 -0.026 0.000 1.874 448 N CA -1.943 51.092 53.050 -0.026 0.000 0.885 448 N CB 0.520 38.987 38.487 -0.032 0.000 1.242 448 N HN 0.182 nan 8.380 nan 0.000 0.488 449 P HA 0.075 nan 4.420 nan 0.000 0.268 449 P C -0.534 176.751 177.300 -0.026 0.000 1.208 449 P CA 0.288 63.373 63.100 -0.025 0.000 0.777 449 P CB 0.325 32.008 31.700 -0.029 0.000 0.875 450 E N -1.412 118.776 120.200 -0.021 0.000 2.369 450 E HA -0.081 4.275 4.350 0.010 0.000 0.165 450 E C -0.236 176.350 176.600 -0.024 0.000 1.622 450 E CA 0.827 57.214 56.400 -0.021 0.000 0.660 450 E CB -1.763 27.923 29.700 -0.023 0.000 1.085 450 E HN 0.445 nan 8.360 nan 0.000 0.346 451 L N 0.000 121.210 121.223 -0.022 0.000 2.949 451 L HA 0.000 4.346 4.340 0.010 0.000 0.249 451 L CA 0.000 nan 54.840 nan 0.000 0.813 451 L CB 0.000 nan 42.059 nan 0.000 0.961 451 L HN 0.000 nan 8.230 nan 0.000 0.502