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 2rj1_1_A DATA FIRST_RESID 62 DATA SEQUENCE FMVSLPRMVY PQPKVLTPCR KDVLVVTPWL APIVWEGTFN IDILNEQFRL DATA SEQUENCE QNTTIGLTVF AIKKYVAFLK LFLETAEKHF MVGHRVHYYV FTDQPAAVPR DATA SEQUENCE VTLGTGRQLS VLEVRAYKRW QDVSMRRMEM ISXXCERRFL SEVDYLVCVD DATA SEQUENCE VDMEFRDHVG VEILTPLFGT LHPSFYGSSR EAFTYERRPQ SQAYIPKDEG DATA SEQUENCE DFYYMGAFFG GSVQEVQRLT RACHQAMMVD QANGIEAVWH DESHLNKYLL DATA SEQUENCE RHKPTKVLSP EYLWDQQLLG WPAVLRKLRF TAVPKNHQAV RNP 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 62 F HA 0.000 nan 4.527 nan 0.000 0.279 62 F C 0.000 175.798 175.800 -0.003 0.000 0.967 62 F CA 0.000 58.000 58.000 0.000 0.000 1.383 62 F CB 0.000 39.002 39.000 0.003 0.000 1.145 63 M N 6.929 125.990 119.600 -0.899 0.000 2.190 63 M HA 0.472 4.925 4.480 -0.045 0.000 0.312 63 M C -0.772 174.965 176.300 -0.938 0.000 0.990 63 M CA -0.855 54.044 55.300 -0.668 0.000 0.927 63 M CB 1.422 33.800 32.600 -0.369 0.000 1.571 63 M HN 0.563 nan 8.290 nan 0.000 0.427 64 V N 2.212 121.785 119.914 -0.568 0.000 3.319 64 V HA 0.425 4.517 4.120 -0.045 0.000 0.303 64 V C 0.700 176.676 176.094 -0.197 0.000 1.094 64 V CA -0.605 61.501 62.300 -0.323 0.000 1.106 64 V CB 0.257 32.032 31.823 -0.079 0.000 1.099 64 V HN 0.848 nan 8.190 nan 0.000 0.476 65 S N 1.574 117.221 115.700 -0.089 0.000 2.572 65 S HA 0.381 4.824 4.470 -0.045 0.000 0.279 65 S C 0.037 174.615 174.600 -0.036 0.000 1.341 65 S CA -0.410 57.760 58.200 -0.049 0.000 1.043 65 S CB 0.066 63.264 63.200 -0.005 0.000 0.887 65 S HN 0.584 nan 8.310 nan 0.000 0.516 66 L N 4.359 125.567 121.223 -0.024 0.000 2.483 66 L HA 0.221 4.534 4.340 -0.045 0.000 0.276 66 L C -1.398 175.482 176.870 0.017 0.000 1.213 66 L CA -1.374 53.466 54.840 0.001 0.000 0.843 66 L CB -0.197 41.874 42.059 0.019 0.000 1.107 66 L HN 0.476 nan 8.230 nan 0.000 0.487 67 P HA 0.098 nan 4.420 nan 0.000 0.276 67 P C -0.829 176.495 177.300 0.040 0.000 1.261 67 P CA -0.804 62.313 63.100 0.028 0.000 0.800 67 P CB 0.503 32.220 31.700 0.028 0.000 1.066 68 R N 1.266 121.783 120.500 0.028 0.000 2.537 68 R HA 0.149 4.462 4.340 -0.045 0.000 0.281 68 R C -0.532 175.791 176.300 0.039 0.000 0.988 68 R CA 0.649 56.763 56.100 0.022 0.000 1.077 68 R CB -0.219 30.083 30.300 0.004 0.000 0.932 68 R HN 0.451 nan 8.270 nan 0.000 0.409 69 M N 4.228 123.855 119.600 0.045 0.000 2.386 69 M HA 0.292 4.744 4.480 -0.045 0.000 0.293 69 M C -1.283 174.970 176.300 -0.077 0.000 1.120 69 M CA -1.083 54.270 55.300 0.087 0.000 0.909 69 M CB 2.649 35.425 32.600 0.293 0.000 1.661 69 M HN 0.257 nan 8.290 nan 0.000 0.452 70 V N 3.758 123.641 119.914 -0.052 0.000 2.370 70 V HA 0.621 4.714 4.120 -0.045 0.000 0.283 70 V C -1.203 174.851 176.094 -0.067 0.000 1.023 70 V CA -0.406 61.793 62.300 -0.168 0.000 0.857 70 V CB 0.659 32.433 31.823 -0.082 0.000 0.985 70 V HN 0.810 nan 8.190 nan 0.000 0.443 71 Y N 3.533 123.833 120.300 0.001 0.000 2.656 71 Y HA 0.810 5.333 4.550 -0.045 0.000 0.334 71 Y C -2.997 172.901 175.900 -0.003 0.000 1.179 71 Y CA -3.364 54.735 58.100 -0.001 0.000 1.050 71 Y CB 0.122 38.584 38.460 0.002 0.000 1.308 71 Y HN 0.425 nan 8.280 nan 0.000 0.456 72 P HA 0.104 nan 4.420 nan 0.000 0.268 72 P C -0.873 176.540 177.300 0.187 0.000 1.204 72 P CA -0.302 62.874 63.100 0.127 0.000 0.768 72 P CB 0.683 32.436 31.700 0.089 0.000 0.842 73 Q N 4.378 124.230 119.800 0.086 0.000 2.300 73 Q HA 0.096 4.409 4.340 -0.045 0.000 0.280 73 Q C -1.871 174.185 176.000 0.094 0.000 1.033 73 Q CA -1.511 54.346 55.803 0.091 0.000 0.903 73 Q CB 0.200 28.956 28.738 0.030 0.000 1.195 73 Q HN 0.322 nan 8.270 nan 0.000 0.386 74 P HA 0.093 nan 4.420 nan 0.000 0.271 74 P C -1.280 176.045 177.300 0.043 0.000 1.216 74 P CA 0.045 63.184 63.100 0.066 0.000 0.771 74 P CB 0.603 32.343 31.700 0.065 0.000 0.864 75 K N 2.607 123.023 120.400 0.027 0.000 2.293 75 K HA 0.185 4.478 4.320 -0.045 0.000 0.267 75 K C 1.224 177.833 176.600 0.015 0.000 1.010 75 K CA -0.856 55.442 56.287 0.018 0.000 0.875 75 K CB 1.422 33.929 32.500 0.011 0.000 1.106 75 K HN 0.075 nan 8.250 nan 0.000 0.450 76 V N 2.601 122.525 119.914 0.016 0.000 2.392 76 V HA -0.206 3.887 4.120 -0.045 0.000 0.249 76 V C 1.594 177.693 176.094 0.009 0.000 1.059 76 V CA 1.622 63.930 62.300 0.014 0.000 1.051 76 V CB -0.372 31.460 31.823 0.015 0.000 0.658 76 V HN 0.570 nan 8.190 nan 0.000 0.455 77 L N -0.356 120.871 121.223 0.006 0.000 2.685 77 L HA 0.209 4.522 4.340 -0.045 0.000 0.233 77 L C 0.087 176.956 176.870 -0.001 0.000 1.173 77 L CA 0.203 55.045 54.840 0.003 0.000 0.961 77 L CB -0.118 41.943 42.059 0.002 0.000 1.217 77 L HN 0.219 nan 8.230 nan 0.000 0.478 78 T N 0.230 114.783 114.554 -0.001 0.000 3.008 78 T HA 0.335 4.657 4.350 -0.045 0.000 0.328 78 T C -2.424 172.271 174.700 -0.008 0.000 1.020 78 T CA -1.096 61.000 62.100 -0.006 0.000 1.043 78 T CB 1.779 70.643 68.868 -0.006 0.000 1.010 78 T HN -0.168 nan 8.240 nan 0.000 0.466 79 P HA 0.185 nan 4.420 nan 0.000 0.267 79 P C 0.575 177.860 177.300 -0.025 0.000 1.200 79 P CA -0.435 62.654 63.100 -0.017 0.000 0.772 79 P CB 0.534 32.219 31.700 -0.025 0.000 0.855 80 C N 1.621 120.907 119.300 -0.023 0.000 2.440 80 C HA 0.024 4.457 4.460 -0.045 0.000 0.278 80 C C 0.977 175.933 174.990 -0.056 0.000 1.295 80 C CA 0.649 59.647 59.018 -0.034 0.000 1.738 80 C CB -0.903 26.825 27.740 -0.020 0.000 1.987 80 C HN 0.466 nan 8.230 nan 0.000 0.492 81 R N 0.022 120.480 120.500 -0.070 0.000 2.522 81 R HA 0.233 4.545 4.340 -0.045 0.000 0.283 81 R C -0.333 175.895 176.300 -0.120 0.000 1.074 81 R CA -0.169 55.858 56.100 -0.123 0.000 0.925 81 R CB 1.065 31.248 30.300 -0.196 0.000 1.205 81 R HN 0.349 nan 8.270 nan 0.000 0.436 82 K N 0.385 120.716 120.400 -0.116 0.000 2.355 82 K HA 0.019 4.311 4.320 -0.045 0.000 0.198 82 K C 0.499 177.034 176.600 -0.108 0.000 1.039 82 K CA 0.318 56.551 56.287 -0.091 0.000 1.075 82 K CB 0.666 33.129 32.500 -0.063 0.000 0.870 82 K HN 0.471 nan 8.250 nan 0.000 0.540 83 D N 0.748 121.053 120.400 -0.160 0.000 2.354 83 D HA -0.040 4.572 4.640 -0.045 0.000 0.209 83 D C 0.666 176.832 176.300 -0.223 0.000 1.015 83 D CA 0.174 54.076 54.000 -0.163 0.000 0.867 83 D CB 0.121 40.821 40.800 -0.168 0.000 0.933 83 D HN 0.024 nan 8.370 nan 0.000 0.520 84 V N -2.512 117.210 119.914 -0.320 0.000 3.049 84 V HA 0.496 4.589 4.120 -0.045 0.000 0.309 84 V C -0.719 175.254 176.094 -0.202 0.000 1.148 84 V CA -1.550 60.511 62.300 -0.398 0.000 0.990 84 V CB 2.100 33.233 31.823 -1.149 0.000 1.039 84 V HN -0.037 nan 8.190 nan 0.000 0.430 85 L N 3.784 125.002 121.223 -0.008 0.000 2.418 85 L HA 0.467 4.780 4.340 -0.045 0.000 0.274 85 L C 0.936 177.924 176.870 0.197 0.000 1.135 85 L CA 0.933 55.837 54.840 0.106 0.000 0.870 85 L CB 1.418 43.597 42.059 0.201 0.000 1.154 85 L HN 0.930 nan 8.230 nan 0.000 0.462 86 V N 3.603 123.596 119.914 0.131 0.000 3.528 86 V HA 0.409 4.502 4.120 -0.045 0.000 0.294 86 V C 0.135 176.301 176.094 0.121 0.000 1.404 86 V CA 0.191 62.609 62.300 0.197 0.000 1.065 86 V CB 0.386 32.291 31.823 0.136 0.000 0.904 86 V HN 0.483 nan 8.190 nan 0.000 0.435 87 V N 1.351 121.305 119.914 0.066 0.000 2.851 87 V HA 0.641 4.734 4.120 -0.045 0.000 0.307 87 V C 0.192 176.243 176.094 -0.071 0.000 1.129 87 V CA 0.469 62.762 62.300 -0.012 0.000 0.932 87 V CB 2.371 34.188 31.823 -0.010 0.000 1.024 87 V HN 0.677 nan 8.190 nan 0.000 0.426 88 T N 3.967 118.374 114.554 -0.244 0.000 2.788 88 T HA 0.419 4.742 4.350 -0.045 0.000 0.287 88 T C -1.872 172.588 174.700 -0.400 0.000 1.007 88 T CA -1.069 60.753 62.100 -0.463 0.000 1.005 88 T CB 1.155 69.225 68.868 -1.331 0.000 1.012 88 T HN 0.542 nan 8.240 nan 0.000 0.530 89 P HA 0.066 nan 4.420 nan 0.000 0.228 89 P C 0.380 177.751 177.300 0.118 0.000 1.151 89 P CA 0.624 63.715 63.100 -0.015 0.000 0.770 89 P CB -0.239 31.531 31.700 0.118 0.000 0.786 90 W N -1.789 119.575 121.300 0.106 0.000 3.223 90 W HA 0.515 5.146 4.660 -0.050 0.000 0.389 90 W C -0.207 176.366 176.519 0.090 0.000 1.118 90 W CA -0.541 56.856 57.345 0.087 0.000 1.902 90 W CB -0.839 28.671 29.460 0.083 0.000 1.094 90 W HN -0.327 nan 8.180 nan 0.000 0.666 91 L N 0.466 121.634 121.223 -0.092 0.000 3.898 91 L HA -0.237 4.076 4.340 -0.045 0.000 0.407 91 L C 0.560 177.407 176.870 -0.038 0.000 1.207 91 L CA 0.510 55.328 54.840 -0.037 0.000 0.931 91 L CB -2.152 39.940 42.059 0.055 0.000 2.014 91 L HN 0.385 nan 8.230 nan 0.000 0.858 92 A N -0.205 122.498 122.820 -0.195 0.000 2.289 92 A HA 0.728 5.021 4.320 -0.045 0.000 0.298 92 A C -2.097 175.437 177.584 -0.082 0.000 1.208 92 A CA -1.319 50.681 52.037 -0.062 0.000 0.845 92 A CB 0.457 19.480 19.000 0.038 0.000 1.125 92 A HN 0.005 nan 8.150 nan 0.000 0.517 93 P HA 0.174 nan 4.420 nan 0.000 0.267 93 P C -0.734 176.544 177.300 -0.036 0.000 1.200 93 P CA 0.401 63.495 63.100 -0.009 0.000 0.772 93 P CB 0.405 32.106 31.700 0.002 0.000 0.855 94 I N 2.311 122.881 120.570 0.001 0.000 2.339 94 I HA 0.190 4.333 4.170 -0.045 0.000 0.290 94 I C -0.219 175.872 176.117 -0.044 0.000 0.994 94 I CA -1.002 60.260 61.300 -0.062 0.000 1.191 94 I CB 1.502 39.517 38.000 0.025 0.000 1.343 94 I HN -0.044 nan 8.210 nan 0.000 0.458 95 V N 6.248 126.024 119.914 -0.230 0.000 2.389 95 V HA 0.194 4.286 4.120 -0.045 0.000 0.264 95 V C -0.685 175.364 176.094 -0.075 0.000 1.049 95 V CA -0.228 62.013 62.300 -0.100 0.000 0.932 95 V CB -0.142 31.499 31.823 -0.303 0.000 1.011 95 V HN 0.580 nan 8.190 nan 0.000 0.475 96 W N 1.919 123.344 121.300 0.207 0.000 2.781 96 W HA 0.572 5.196 4.660 -0.060 0.000 0.345 96 W C 0.159 176.785 176.519 0.177 0.000 1.085 96 W CA -0.981 56.464 57.345 0.166 0.000 1.198 96 W CB 1.131 30.622 29.460 0.053 0.000 1.423 96 W HN 0.432 nan 8.180 nan 0.000 0.532 97 E N 0.745 121.146 120.200 0.335 0.000 2.465 97 E HA 0.333 4.656 4.350 -0.045 0.000 0.260 97 E C 1.047 177.621 176.600 -0.043 0.000 0.980 97 E CA 2.124 58.550 56.400 0.044 0.000 0.927 97 E CB 0.297 30.012 29.700 0.025 0.000 0.934 97 E HN 0.676 nan 8.360 nan 0.000 0.459 98 G N 2.758 111.400 108.800 -0.264 0.000 2.213 98 G HA2 -0.318 3.615 3.960 -0.045 0.000 0.226 98 G HA3 -0.318 3.615 3.960 -0.045 0.000 0.226 98 G C 0.985 175.797 174.900 -0.147 0.000 0.992 98 G CA 0.713 45.698 45.100 -0.192 0.000 0.632 98 G HN 0.819 nan 8.290 nan 0.000 0.511 99 T N -1.127 113.384 114.554 -0.072 0.000 3.081 99 T HA 0.538 4.860 4.350 -0.045 0.000 0.255 99 T C 0.684 175.458 174.700 0.124 0.000 1.113 99 T CA 0.994 63.143 62.100 0.082 0.000 1.082 99 T CB -0.209 68.803 68.868 0.240 0.000 0.939 99 T HN 1.359 nan 8.240 nan 0.000 0.506 100 F N -0.037 119.917 119.950 0.006 0.000 2.576 100 F HA 0.657 5.155 4.527 -0.048 0.000 0.313 100 F C -0.799 174.968 175.800 -0.054 0.000 1.078 100 F CA -2.018 55.967 58.000 -0.024 0.000 0.921 100 F CB 1.102 40.090 39.000 -0.019 0.000 1.232 100 F HN -0.113 nan 8.300 nan 0.000 0.459 101 N N 3.005 121.748 118.700 0.073 0.000 2.462 101 N HA 0.258 4.970 4.740 -0.045 0.000 0.242 101 N C 0.618 176.190 175.510 0.103 0.000 1.010 101 N CA -0.512 52.524 53.050 -0.024 0.000 0.939 101 N CB 0.895 39.281 38.487 -0.167 0.000 1.127 101 N HN 0.836 nan 8.380 nan 0.000 0.509 102 I N 3.402 124.065 120.570 0.156 0.000 2.614 102 I HA -0.169 3.974 4.170 -0.045 0.000 0.258 102 I C 1.186 177.357 176.117 0.090 0.000 1.189 102 I CA 1.266 62.677 61.300 0.185 0.000 1.462 102 I CB -0.127 37.946 38.000 0.122 0.000 1.092 102 I HN 0.667 nan 8.210 nan 0.000 0.442 103 D N 0.428 120.850 120.400 0.036 0.000 2.117 103 D HA -0.161 4.452 4.640 -0.045 0.000 0.197 103 D C 2.313 178.627 176.300 0.024 0.000 0.987 103 D CA 1.686 55.705 54.000 0.031 0.000 0.829 103 D CB -0.177 40.636 40.800 0.023 0.000 0.961 103 D HN 0.385 nan 8.370 nan 0.000 0.460 104 I N 0.726 121.273 120.570 -0.039 0.000 2.179 104 I HA -0.235 3.907 4.170 -0.045 0.000 0.242 104 I C 2.494 178.631 176.117 0.034 0.000 1.088 104 I CA 0.751 62.022 61.300 -0.049 0.000 1.357 104 I CB -0.256 37.644 38.000 -0.166 0.000 1.051 104 I HN -0.047 nan 8.210 nan 0.000 0.409 105 L N 0.404 121.673 121.223 0.078 0.000 2.046 105 L HA -0.208 4.104 4.340 -0.045 0.000 0.208 105 L C 2.379 179.404 176.870 0.259 0.000 1.077 105 L CA 1.185 56.129 54.840 0.172 0.000 0.747 105 L CB -0.850 41.288 42.059 0.130 0.000 0.896 105 L HN 0.310 nan 8.230 nan 0.000 0.432 106 N N -0.118 118.700 118.700 0.196 0.000 2.104 106 N HA -0.194 4.519 4.740 -0.045 0.000 0.190 106 N C 1.801 177.452 175.510 0.234 0.000 1.024 106 N CA 1.189 54.398 53.050 0.265 0.000 0.853 106 N CB -0.188 38.415 38.487 0.193 0.000 1.008 106 N HN 0.321 nan 8.380 nan 0.000 0.424 107 E N 1.321 121.599 120.200 0.130 0.000 2.038 107 E HA -0.179 4.143 4.350 -0.045 0.000 0.195 107 E C 1.983 178.623 176.600 0.065 0.000 1.000 107 E CA 1.013 57.461 56.400 0.079 0.000 0.803 107 E CB -0.283 29.446 29.700 0.048 0.000 0.750 107 E HN 0.526 nan 8.360 nan 0.000 0.448 108 Q N -0.661 119.161 119.800 0.037 0.000 2.061 108 Q HA -0.157 4.156 4.340 -0.045 0.000 0.204 108 Q C 2.163 178.075 176.000 -0.146 0.000 0.984 108 Q CA 1.520 57.262 55.803 -0.101 0.000 0.846 108 Q CB -0.237 28.376 28.738 -0.207 0.000 0.902 108 Q HN 0.245 nan 8.270 nan 0.000 0.421 109 F N -0.014 119.956 119.950 0.033 0.000 2.234 109 F HA -0.042 4.458 4.527 -0.045 0.000 0.296 109 F C 2.405 178.284 175.800 0.131 0.000 1.089 109 F CA 0.514 58.542 58.000 0.046 0.000 1.343 109 F CB 0.085 39.037 39.000 -0.080 0.000 1.040 109 F HN -0.088 nan 8.300 nan 0.000 0.498 110 R N 0.538 121.240 120.500 0.337 0.000 2.096 110 R HA -0.088 4.224 4.340 -0.045 0.000 0.235 110 R C 2.189 178.546 176.300 0.095 0.000 1.127 110 R CA 0.999 57.208 56.100 0.182 0.000 0.968 110 R CB -1.198 29.137 30.300 0.057 0.000 0.861 110 R HN 0.345 nan 8.270 nan 0.000 0.440 111 L N 1.075 122.331 121.223 0.055 0.000 2.265 111 L HA -0.151 4.161 4.340 -0.045 0.000 0.215 111 L C 1.907 178.781 176.870 0.006 0.000 1.117 111 L CA 1.097 55.943 54.840 0.009 0.000 0.782 111 L CB -0.212 41.828 42.059 -0.032 0.000 0.914 111 L HN 0.151 nan 8.230 nan 0.000 0.441 112 Q N -0.524 119.291 119.800 0.026 0.000 2.319 112 Q HA 0.002 4.315 4.340 -0.045 0.000 0.202 112 Q C 0.035 176.088 176.000 0.088 0.000 0.896 112 Q CA -0.097 55.728 55.803 0.037 0.000 0.942 112 Q CB 0.068 28.815 28.738 0.015 0.000 1.083 112 Q HN 0.480 nan 8.270 nan 0.000 0.510 113 N N 1.874 120.637 118.700 0.104 0.000 2.688 113 N HA -0.132 4.581 4.740 -0.045 0.000 0.258 113 N C -1.057 174.542 175.510 0.149 0.000 1.016 113 N CA -0.057 53.060 53.050 0.112 0.000 0.747 113 N CB -0.280 38.252 38.487 0.076 0.000 0.895 113 N HN 0.095 nan 8.380 nan 0.000 0.543 114 T N 1.568 116.254 114.554 0.221 0.000 2.888 114 T HA 0.117 4.440 4.350 -0.045 0.000 0.301 114 T C 0.328 175.148 174.700 0.201 0.000 1.001 114 T CA 0.271 62.526 62.100 0.259 0.000 1.147 114 T CB 1.120 70.206 68.868 0.362 0.000 0.931 114 T HN 0.132 nan 8.240 nan 0.000 0.541 115 T N 4.274 118.938 114.554 0.184 0.000 2.771 115 T HA 0.545 4.867 4.350 -0.045 0.000 0.281 115 T C -0.046 174.759 174.700 0.175 0.000 0.982 115 T CA -0.534 61.657 62.100 0.152 0.000 0.978 115 T CB 0.510 69.465 68.868 0.146 0.000 0.930 115 T HN 0.315 nan 8.240 nan 0.000 0.447 116 I N 2.567 123.208 120.570 0.119 0.000 2.354 116 I HA 0.514 4.657 4.170 -0.045 0.000 0.292 116 I C 0.901 177.122 176.117 0.174 0.000 0.989 116 I CA -0.316 61.066 61.300 0.137 0.000 1.188 116 I CB 1.519 39.514 38.000 -0.007 0.000 1.342 116 I HN 0.706 nan 8.210 nan 0.000 0.457 117 G N 5.799 114.730 108.800 0.218 0.000 2.377 117 G HA2 0.590 4.522 3.960 -0.045 0.000 0.299 117 G HA3 0.590 4.522 3.960 -0.045 0.000 0.299 117 G C -1.294 173.740 174.900 0.224 0.000 1.150 117 G CA -0.343 44.928 45.100 0.284 0.000 0.847 117 G HN 0.451 nan 8.290 nan 0.000 0.501 118 L N 2.461 123.820 121.223 0.227 0.000 2.343 118 L HA 0.579 4.892 4.340 -0.045 0.000 0.278 118 L C 0.565 177.601 176.870 0.275 0.000 0.996 118 L CA -0.536 54.394 54.840 0.150 0.000 0.831 118 L CB 1.814 43.854 42.059 -0.031 0.000 1.232 118 L HN 0.633 nan 8.230 nan 0.000 0.413 119 T N 2.081 116.751 114.554 0.193 0.000 2.837 119 T HA 0.719 5.042 4.350 -0.045 0.000 0.285 119 T C -0.549 174.255 174.700 0.174 0.000 0.984 119 T CA -0.672 61.590 62.100 0.269 0.000 1.049 119 T CB 1.544 70.535 68.868 0.204 0.000 0.947 119 T HN 0.573 nan 8.240 nan 0.000 0.472 120 V N 3.775 123.779 119.914 0.151 0.000 2.817 120 V HA 0.626 4.719 4.120 -0.045 0.000 0.303 120 V C -1.935 174.154 176.094 -0.008 0.000 1.151 120 V CA -1.114 61.201 62.300 0.025 0.000 0.929 120 V CB 1.695 33.350 31.823 -0.280 0.000 1.030 120 V HN 0.917 nan 8.190 nan 0.000 0.427 121 F N 4.931 124.869 119.950 -0.021 0.000 2.420 121 F HA 0.818 5.318 4.527 -0.045 0.000 0.342 121 F C 0.605 176.418 175.800 0.022 0.000 1.113 121 F CA -0.225 57.795 58.000 0.035 0.000 1.059 121 F CB 2.137 41.105 39.000 -0.052 0.000 1.128 121 F HN 0.644 nan 8.300 nan 0.000 0.475 122 A N 5.598 128.538 122.820 0.199 0.000 2.763 122 A HA 0.654 4.947 4.320 -0.045 0.000 0.325 122 A C -1.055 176.651 177.584 0.203 0.000 1.209 122 A CA -0.428 51.728 52.037 0.198 0.000 0.764 122 A CB -0.193 18.889 19.000 0.136 0.000 1.120 122 A HN 0.503 nan 8.150 nan 0.000 0.463 123 I N 1.883 122.577 120.570 0.206 0.000 2.412 123 I HA 0.379 4.522 4.170 -0.045 0.000 0.296 123 I C 0.791 177.025 176.117 0.196 0.000 0.987 123 I CA -0.227 61.179 61.300 0.176 0.000 1.180 123 I CB 1.001 39.092 38.000 0.152 0.000 1.340 123 I HN 0.863 nan 8.210 nan 0.000 0.455 124 K N 3.681 124.179 120.400 0.164 0.000 1.791 124 K HA -0.300 3.992 4.320 -0.045 0.000 0.140 124 K C 1.153 177.868 176.600 0.192 0.000 1.312 124 K CA 1.663 58.047 56.287 0.162 0.000 0.382 124 K CB -0.774 31.826 32.500 0.167 0.000 0.635 124 K HN 0.526 nan 8.250 nan 0.000 0.838 125 K N 0.327 120.868 120.400 0.234 0.000 2.362 125 K HA -0.096 4.197 4.320 -0.045 0.000 0.200 125 K C 1.943 178.631 176.600 0.146 0.000 1.046 125 K CA 1.569 57.945 56.287 0.147 0.000 0.952 125 K CB -0.145 32.409 32.500 0.090 0.000 0.753 125 K HN 0.318 nan 8.250 nan 0.000 0.466 126 Y N 0.627 121.010 120.300 0.139 0.000 2.639 126 Y HA -0.152 4.370 4.550 -0.047 0.000 0.297 126 Y C 2.087 178.108 175.900 0.201 0.000 1.151 126 Y CA 0.090 58.365 58.100 0.292 0.000 1.335 126 Y CB -0.217 38.429 38.460 0.310 0.000 0.994 126 Y HN -0.072 nan 8.280 nan 0.000 0.548 127 V N -2.569 117.468 119.914 0.204 0.000 2.720 127 V HA -0.252 3.840 4.120 -0.045 0.000 0.256 127 V C 2.232 178.337 176.094 0.017 0.000 1.082 127 V CA 1.475 63.840 62.300 0.108 0.000 1.101 127 V CB -1.242 30.622 31.823 0.068 0.000 0.693 127 V HN 0.322 nan 8.190 nan 0.000 0.479 128 A N 0.003 122.750 122.820 -0.122 0.000 2.070 128 A HA -0.015 4.277 4.320 -0.045 0.000 0.220 128 A C 1.875 179.284 177.584 -0.292 0.000 1.159 128 A CA 1.837 53.706 52.037 -0.280 0.000 0.656 128 A CB -0.888 17.820 19.000 -0.486 0.000 0.800 128 A HN 0.629 nan 8.150 nan 0.000 0.453 129 F N -0.795 119.142 119.950 -0.020 0.000 2.743 129 F HA 0.156 4.657 4.527 -0.044 0.000 0.297 129 F C 1.798 177.640 175.800 0.070 0.000 1.131 129 F CA 0.133 58.134 58.000 0.003 0.000 1.426 129 F CB -0.109 38.881 39.000 -0.017 0.000 1.116 129 F HN 0.097 nan 8.300 nan 0.000 0.583 130 L N 0.232 121.572 121.223 0.196 0.000 2.093 130 L HA -0.222 4.091 4.340 -0.045 0.000 0.208 130 L C 2.579 179.559 176.870 0.184 0.000 1.085 130 L CA 1.411 56.356 54.840 0.174 0.000 0.755 130 L CB -0.455 41.658 42.059 0.089 0.000 0.904 130 L HN 0.093 nan 8.230 nan 0.000 0.435 131 K N 0.335 120.803 120.400 0.113 0.000 2.002 131 K HA -0.246 4.047 4.320 -0.045 0.000 0.209 131 K C 2.153 178.820 176.600 0.111 0.000 1.048 131 K CA 1.584 57.918 56.287 0.079 0.000 0.930 131 K CB -0.173 32.349 32.500 0.037 0.000 0.714 131 K HN 0.065 nan 8.250 nan 0.000 0.438 132 L N 0.781 122.089 121.223 0.141 0.000 2.083 132 L HA -0.088 4.225 4.340 -0.045 0.000 0.209 132 L C 2.030 179.027 176.870 0.211 0.000 1.083 132 L CA 1.487 56.419 54.840 0.154 0.000 0.752 132 L CB -0.618 41.532 42.059 0.153 0.000 0.899 132 L HN 0.284 nan 8.230 nan 0.000 0.433 133 F N -0.419 119.614 119.950 0.138 0.000 2.075 133 F HA -0.236 4.263 4.527 -0.047 0.000 0.297 133 F C 2.020 177.925 175.800 0.176 0.000 1.113 133 F CA 2.005 60.119 58.000 0.189 0.000 1.218 133 F CB -0.246 38.852 39.000 0.163 0.000 0.984 133 F HN 0.028 nan 8.300 nan 0.000 0.472 134 L N -0.002 121.335 121.223 0.189 0.000 2.109 134 L HA -0.143 4.170 4.340 -0.045 0.000 0.207 134 L C 2.384 179.199 176.870 -0.093 0.000 1.086 134 L CA 1.393 56.189 54.840 -0.074 0.000 0.760 134 L CB -0.774 41.212 42.059 -0.122 0.000 0.910 134 L HN 0.182 nan 8.230 nan 0.000 0.437 135 E N -0.191 120.004 120.200 -0.008 0.000 2.110 135 E HA -0.199 4.124 4.350 -0.045 0.000 0.193 135 E C 2.169 178.772 176.600 0.006 0.000 0.988 135 E CA 1.889 58.287 56.400 -0.003 0.000 0.804 135 E CB -0.138 29.574 29.700 0.020 0.000 0.745 135 E HN 0.601 nan 8.360 nan 0.000 0.458 136 T N -0.888 113.705 114.554 0.064 0.000 2.942 136 T HA 0.077 4.400 4.350 -0.045 0.000 0.265 136 T C 2.140 176.882 174.700 0.069 0.000 1.062 136 T CA 0.775 62.972 62.100 0.161 0.000 1.139 136 T CB -0.093 68.958 68.868 0.305 0.000 0.883 136 T HN 0.133 nan 8.240 nan 0.000 0.468 137 A N 2.101 124.850 122.820 -0.119 0.000 1.908 137 A HA -0.131 4.162 4.320 -0.045 0.000 0.218 137 A C 2.433 179.895 177.584 -0.203 0.000 1.181 137 A CA 1.559 53.280 52.037 -0.527 0.000 0.627 137 A CB -0.642 18.066 19.000 -0.486 0.000 0.818 137 A HN 0.446 nan 8.150 nan 0.000 0.445 138 E N 0.096 120.256 120.200 -0.067 0.000 2.160 138 E HA -0.165 4.158 4.350 -0.045 0.000 0.195 138 E C 1.870 178.403 176.600 -0.111 0.000 0.991 138 E CA 1.235 57.619 56.400 -0.026 0.000 0.810 138 E CB -0.221 29.471 29.700 -0.013 0.000 0.742 138 E HN 0.675 nan 8.360 nan 0.000 0.466 139 K N -0.669 119.615 120.400 -0.193 0.000 2.243 139 K HA -0.033 4.260 4.320 -0.045 0.000 0.201 139 K C 1.491 177.780 176.600 -0.519 0.000 1.051 139 K CA 0.755 56.806 56.287 -0.393 0.000 0.970 139 K CB 0.226 32.394 32.500 -0.554 0.000 0.755 139 K HN 0.198 nan 8.250 nan 0.000 0.465 140 H N -2.401 116.602 119.070 -0.111 0.000 3.643 140 H HA 0.096 4.626 4.556 -0.044 0.000 0.256 140 H C -0.659 174.511 175.328 -0.264 0.000 1.107 140 H CA -0.281 55.694 56.048 -0.122 0.000 1.175 140 H CB 0.471 30.227 29.762 -0.010 0.000 1.519 140 H HN -0.026 nan 8.280 nan 0.000 0.565 141 F N 3.399 123.062 119.950 -0.478 0.000 2.361 141 F HA 0.301 4.800 4.527 -0.047 0.000 0.364 141 F C 0.614 176.198 175.800 -0.361 0.000 1.120 141 F CA -0.655 56.991 58.000 -0.591 0.000 1.102 141 F CB 0.438 38.860 39.000 -0.963 0.000 1.183 141 F HN -0.059 nan 8.300 nan 0.000 0.476 142 M N 4.633 123.748 119.600 -0.808 0.000 2.576 142 M HA -0.180 4.272 4.480 -0.045 0.000 0.200 142 M C -0.523 175.648 176.300 -0.214 0.000 0.487 142 M CA 0.320 55.240 55.300 -0.633 0.000 0.553 142 M CB -2.856 29.183 32.600 -0.935 0.000 2.042 142 M HN 0.190 nan 8.290 nan 0.000 0.758 143 V N 0.520 120.343 119.914 -0.153 0.000 2.599 143 V HA 0.370 4.462 4.120 -0.045 0.000 0.300 143 V C 1.719 177.781 176.094 -0.054 0.000 1.034 143 V CA 1.642 63.895 62.300 -0.078 0.000 1.115 143 V CB 0.802 32.588 31.823 -0.061 0.000 0.934 143 V HN 0.932 nan 8.190 nan 0.000 0.485 144 G N 3.718 112.455 108.800 -0.106 0.000 2.232 144 G HA2 -0.188 3.745 3.960 -0.045 0.000 0.226 144 G HA3 -0.188 3.745 3.960 -0.045 0.000 0.226 144 G C -0.036 174.639 174.900 -0.376 0.000 0.996 144 G CA 0.181 45.150 45.100 -0.218 0.000 0.626 144 G HN 0.798 nan 8.290 nan 0.000 0.509 145 H N 0.032 119.042 119.070 -0.100 0.000 2.595 145 H HA 0.740 5.269 4.556 -0.045 0.000 0.346 145 H C 0.649 175.923 175.328 -0.089 0.000 1.181 145 H CA -0.739 55.254 56.048 -0.092 0.000 1.242 145 H CB 0.694 30.371 29.762 -0.142 0.000 1.652 145 H HN 0.193 nan 8.280 nan 0.000 0.548 146 R N 0.965 121.511 120.500 0.077 0.000 2.389 146 R HA 0.354 4.667 4.340 -0.045 0.000 0.295 146 R C -0.998 175.305 176.300 0.004 0.000 1.075 146 R CA -0.263 55.853 56.100 0.027 0.000 1.005 146 R CB 0.547 30.878 30.300 0.053 0.000 0.987 146 R HN 0.199 nan 8.270 nan 0.000 0.452 147 V N 2.787 122.668 119.914 -0.054 0.000 2.709 147 V HA 0.220 4.313 4.120 -0.045 0.000 0.308 147 V C -0.868 175.141 176.094 -0.142 0.000 1.062 147 V CA -0.787 61.444 62.300 -0.114 0.000 0.901 147 V CB 1.919 33.596 31.823 -0.242 0.000 1.003 147 V HN 0.787 nan 8.190 nan 0.000 0.425 148 H N 3.433 122.371 119.070 -0.219 0.000 2.800 148 H HA 0.536 5.064 4.556 -0.046 0.000 0.322 148 H C -1.366 173.710 175.328 -0.420 0.000 0.979 148 H CA -0.550 55.317 56.048 -0.302 0.000 1.277 148 H CB 0.849 30.474 29.762 -0.228 0.000 1.484 148 H HN 0.627 nan 8.280 nan 0.000 0.512 149 Y N 3.742 124.025 120.300 -0.029 0.000 2.319 149 Y HA 0.118 4.640 4.550 -0.046 0.000 0.328 149 Y C -0.574 175.200 175.900 -0.211 0.000 1.133 149 Y CA -0.195 57.885 58.100 -0.033 0.000 1.265 149 Y CB 0.597 39.071 38.460 0.023 0.000 1.218 149 Y HN 0.568 nan 8.280 nan 0.000 0.508 150 Y N 1.565 122.034 120.300 0.280 0.000 2.376 150 Y HA 0.443 4.966 4.550 -0.046 0.000 0.326 150 Y C -0.704 175.202 175.900 0.011 0.000 0.970 150 Y CA -1.078 57.072 58.100 0.084 0.000 1.248 150 Y CB 1.097 39.625 38.460 0.113 0.000 1.117 150 Y HN 0.243 nan 8.280 nan 0.000 0.476 151 V N 5.285 125.214 119.914 0.025 0.000 2.348 151 V HA 0.242 4.334 4.120 -0.045 0.000 0.270 151 V C -0.358 175.639 176.094 -0.162 0.000 1.037 151 V CA -0.695 61.594 62.300 -0.017 0.000 0.872 151 V CB -0.198 31.618 31.823 -0.011 0.000 1.002 151 V HN 0.512 nan 8.190 nan 0.000 0.464 152 F N 3.411 123.169 119.950 -0.319 0.000 2.411 152 F HA 0.602 5.102 4.527 -0.045 0.000 0.355 152 F C 0.654 176.360 175.800 -0.156 0.000 1.117 152 F CA 0.046 57.833 58.000 -0.354 0.000 1.139 152 F CB 1.674 40.118 39.000 -0.926 0.000 1.120 152 F HN 0.458 nan 8.300 nan 0.000 0.493 153 T N 1.163 115.778 114.554 0.101 0.000 2.853 153 T HA 0.155 4.478 4.350 -0.045 0.000 0.311 153 T C -0.010 174.751 174.700 0.100 0.000 1.307 153 T CA -0.772 61.394 62.100 0.110 0.000 1.019 153 T CB 1.221 70.129 68.868 0.067 0.000 1.264 153 T HN 0.654 nan 8.240 nan 0.000 0.497 154 D N 1.691 122.153 120.400 0.104 0.000 2.349 154 D HA 0.048 4.660 4.640 -0.045 0.000 0.215 154 D C 0.273 176.605 176.300 0.053 0.000 1.016 154 D CA 0.308 54.354 54.000 0.077 0.000 0.870 154 D CB 0.306 41.153 40.800 0.079 0.000 0.917 154 D HN 0.598 nan 8.370 nan 0.000 0.524 155 Q N 0.350 120.181 119.800 0.051 0.000 3.122 155 Q HA 0.270 4.583 4.340 -0.045 0.000 0.282 155 Q C -2.203 173.812 176.000 0.025 0.000 0.947 155 Q CA -1.599 54.226 55.803 0.036 0.000 0.812 155 Q CB 2.046 30.808 28.738 0.040 0.000 1.333 155 Q HN -0.038 nan 8.270 nan 0.000 0.430 156 P HA -0.220 nan 4.420 nan 0.000 0.217 156 P C 0.952 178.253 177.300 0.002 0.000 1.148 156 P CA 1.248 64.351 63.100 0.004 0.000 0.828 156 P CB 0.323 32.021 31.700 -0.003 0.000 0.783 157 A N -0.605 122.217 122.820 0.004 0.000 2.168 157 A HA 0.171 4.464 4.320 -0.045 0.000 0.215 157 A C 2.031 179.617 177.584 0.003 0.000 1.152 157 A CA 1.309 53.347 52.037 0.002 0.000 0.716 157 A CB -1.040 17.961 19.000 0.002 0.000 0.794 157 A HN 0.207 nan 8.150 nan 0.000 0.465 158 A N -0.687 122.137 122.820 0.008 0.000 2.308 158 A HA 0.452 4.745 4.320 -0.045 0.000 0.217 158 A C 0.590 178.179 177.584 0.008 0.000 1.216 158 A CA -0.010 52.032 52.037 0.008 0.000 0.864 158 A CB -0.111 18.898 19.000 0.016 0.000 0.902 158 A HN 0.181 nan 8.150 nan 0.000 0.499 159 V N 3.762 123.680 119.914 0.007 0.000 2.479 159 V HA 0.160 4.252 4.120 -0.045 0.000 0.281 159 V C -1.812 174.280 176.094 -0.004 0.000 1.031 159 V CA -1.277 61.026 62.300 0.003 0.000 1.038 159 V CB 0.441 32.261 31.823 -0.004 0.000 0.981 159 V HN 0.408 nan 8.190 nan 0.000 0.478 160 P HA 0.190 nan 4.420 nan 0.000 0.271 160 P C -0.577 176.714 177.300 -0.015 0.000 1.218 160 P CA -0.480 62.616 63.100 -0.007 0.000 0.780 160 P CB 0.657 32.356 31.700 -0.000 0.000 0.901 161 R N 1.696 122.187 120.500 -0.015 0.000 2.325 161 R HA 0.310 4.623 4.340 -0.045 0.000 0.323 161 R C -0.432 175.855 176.300 -0.022 0.000 1.177 161 R CA -0.525 55.563 56.100 -0.019 0.000 1.018 161 R CB -0.071 30.220 30.300 -0.015 0.000 1.070 161 R HN 0.298 nan 8.270 nan 0.000 0.495 162 V N 3.001 122.895 119.914 -0.033 0.000 2.427 162 V HA 0.150 4.242 4.120 -0.045 0.000 0.286 162 V C 0.585 176.659 176.094 -0.034 0.000 1.034 162 V CA -0.534 61.743 62.300 -0.038 0.000 0.893 162 V CB 1.958 33.742 31.823 -0.065 0.000 0.982 162 V HN 0.631 nan 8.190 nan 0.000 0.452 163 T N 6.997 121.538 114.554 -0.023 0.000 2.814 163 T HA 0.472 4.795 4.350 -0.045 0.000 0.297 163 T C -0.171 174.524 174.700 -0.008 0.000 0.956 163 T CA 0.006 62.097 62.100 -0.015 0.000 1.123 163 T CB 0.109 68.970 68.868 -0.013 0.000 0.902 163 T HN 0.333 nan 8.240 nan 0.000 0.528 164 L N 2.386 123.610 121.223 0.003 0.000 2.334 164 L HA 0.616 4.929 4.340 -0.045 0.000 0.276 164 L C 1.210 178.088 176.870 0.013 0.000 1.014 164 L CA -1.208 53.650 54.840 0.029 0.000 0.815 164 L CB 1.386 43.479 42.059 0.056 0.000 1.268 164 L HN 0.725 nan 8.230 nan 0.000 0.428 165 G N 0.311 109.120 108.800 0.015 0.000 2.667 165 G HA2 0.169 4.102 3.960 -0.045 0.000 0.250 165 G HA3 0.169 4.102 3.960 -0.045 0.000 0.250 165 G C 0.001 174.894 174.900 -0.011 0.000 1.212 165 G CA -0.206 44.891 45.100 -0.005 0.000 0.874 165 G HN 0.517 nan 8.290 nan 0.000 0.561 166 T N -1.000 113.542 114.554 -0.020 0.000 2.932 166 T HA 0.394 4.717 4.350 -0.045 0.000 0.312 166 T C 1.594 176.276 174.700 -0.030 0.000 1.071 166 T CA 1.725 63.811 62.100 -0.024 0.000 1.128 166 T CB 0.009 68.862 68.868 -0.025 0.000 0.984 166 T HN 2.039 nan 8.240 nan 0.000 0.549 167 G N 3.757 112.537 108.800 -0.033 0.000 2.143 167 G HA2 -0.221 3.712 3.960 -0.045 0.000 0.248 167 G HA3 -0.221 3.712 3.960 -0.045 0.000 0.248 167 G C 0.045 174.915 174.900 -0.051 0.000 0.991 167 G CA 0.319 45.397 45.100 -0.037 0.000 0.689 167 G HN 0.851 nan 8.290 nan 0.000 0.522 168 R N 0.051 120.520 120.500 -0.051 0.000 2.561 168 R HA 0.621 4.934 4.340 -0.045 0.000 0.297 168 R C 0.052 176.312 176.300 -0.066 0.000 0.969 168 R CA -0.679 55.384 56.100 -0.062 0.000 0.879 168 R CB 1.526 31.823 30.300 -0.004 0.000 1.178 168 R HN 0.574 nan 8.270 nan 0.000 0.445 169 Q N 2.537 122.249 119.800 -0.147 0.000 2.495 169 Q HA 0.659 4.972 4.340 -0.045 0.000 0.287 169 Q C -1.482 174.447 176.000 -0.119 0.000 1.078 169 Q CA -1.119 54.563 55.803 -0.201 0.000 0.793 169 Q CB 2.585 31.073 28.738 -0.417 0.000 1.459 169 Q HN 0.494 nan 8.270 nan 0.000 0.422 170 L N 0.789 121.973 121.223 -0.064 0.000 2.410 170 L HA 0.630 4.943 4.340 -0.045 0.000 0.270 170 L C -1.500 175.368 176.870 -0.002 0.000 0.983 170 L CA -0.318 54.552 54.840 0.050 0.000 0.822 170 L CB 2.513 44.612 42.059 0.065 0.000 1.285 170 L HN 0.816 nan 8.230 nan 0.000 0.409 171 S N 3.111 118.836 115.700 0.042 0.000 2.472 171 S HA 0.599 5.041 4.470 -0.045 0.000 0.303 171 S C -0.705 173.891 174.600 -0.007 0.000 1.099 171 S CA -0.539 57.691 58.200 0.051 0.000 1.077 171 S CB 1.988 65.280 63.200 0.154 0.000 1.031 171 S HN 0.375 nan 8.310 nan 0.000 0.487 172 V N 4.618 124.512 119.914 -0.033 0.000 2.370 172 V HA 0.370 4.462 4.120 -0.045 0.000 0.279 172 V C -0.757 175.265 176.094 -0.121 0.000 1.029 172 V CA -0.651 61.605 62.300 -0.072 0.000 0.870 172 V CB 0.957 32.754 31.823 -0.043 0.000 0.984 172 V HN 0.627 nan 8.190 nan 0.000 0.451 173 L N 4.615 125.695 121.223 -0.238 0.000 2.280 173 L HA 0.504 4.817 4.340 -0.045 0.000 0.287 173 L C 0.223 177.000 176.870 -0.156 0.000 1.023 173 L CA -0.138 54.529 54.840 -0.287 0.000 0.819 173 L CB 1.184 42.844 42.059 -0.666 0.000 1.212 173 L HN 0.730 nan 8.230 nan 0.000 0.420 174 E N 2.972 123.133 120.200 -0.065 0.000 2.316 174 E HA 0.459 4.781 4.350 -0.045 0.000 0.275 174 E C -0.711 175.919 176.600 0.049 0.000 1.029 174 E CA -0.353 56.047 56.400 0.000 0.000 0.871 174 E CB 1.229 30.929 29.700 0.000 0.000 1.022 174 E HN 0.465 nan 8.360 nan 0.000 0.418 175 V N 1.325 121.301 119.914 0.104 0.000 3.130 175 V HA 0.621 4.714 4.120 -0.045 0.000 0.310 175 V C -0.488 175.674 176.094 0.113 0.000 1.158 175 V CA -1.325 61.065 62.300 0.151 0.000 1.029 175 V CB 1.605 33.602 31.823 0.290 0.000 1.057 175 V HN 0.820 nan 8.190 nan 0.000 0.436 176 R N 1.996 122.548 120.500 0.087 0.000 2.582 176 R HA 0.785 5.097 4.340 -0.045 0.000 0.271 176 R C -0.038 176.288 176.300 0.045 0.000 1.078 176 R CA 0.155 56.260 56.100 0.009 0.000 1.127 176 R CB 0.902 31.139 30.300 -0.104 0.000 1.038 176 R HN 1.272 nan 8.270 nan 0.000 0.500 177 A N 2.825 125.646 122.820 0.002 0.000 2.260 177 A HA 0.350 4.642 4.320 -0.045 0.000 0.308 177 A C -1.120 176.446 177.584 -0.029 0.000 1.254 177 A CA -0.721 51.349 52.037 0.055 0.000 0.874 177 A CB 0.136 19.174 19.000 0.063 0.000 1.153 177 A HN 0.660 nan 8.150 nan 0.000 0.527 178 Y N 1.379 121.694 120.300 0.024 0.000 2.301 178 Y HA 0.188 4.711 4.550 -0.044 0.000 0.328 178 Y C 1.711 177.618 175.900 0.013 0.000 1.242 178 Y CA 0.210 58.313 58.100 0.005 0.000 1.323 178 Y CB 1.246 39.693 38.460 -0.023 0.000 1.266 178 Y HN 0.838 nan 8.280 nan 0.000 0.527 179 K N 1.771 122.258 120.400 0.145 0.000 2.062 179 K HA -0.019 4.274 4.320 -0.045 0.000 0.205 179 K C -0.038 176.624 176.600 0.103 0.000 1.051 179 K CA 0.933 57.278 56.287 0.098 0.000 0.941 179 K CB 0.101 32.639 32.500 0.064 0.000 0.719 179 K HN 0.621 nan 8.250 nan 0.000 0.440 180 R N 1.362 121.902 120.500 0.066 0.000 2.308 180 R HA 0.025 4.338 4.340 -0.045 0.000 0.305 180 R C 1.195 177.465 176.300 -0.051 0.000 1.053 180 R CA -0.386 55.695 56.100 -0.031 0.000 0.957 180 R CB 0.453 30.660 30.300 -0.155 0.000 1.022 180 R HN 0.461 nan 8.270 nan 0.000 0.461 181 W N 3.665 124.950 121.300 -0.025 0.000 2.342 181 W HA -0.253 4.379 4.660 -0.048 0.000 0.297 181 W C 0.448 176.876 176.519 -0.152 0.000 1.213 181 W CA 0.832 58.134 57.345 -0.072 0.000 1.251 181 W CB -0.405 29.038 29.460 -0.029 0.000 1.136 181 W HN 0.558 nan 8.180 nan 0.000 0.526 182 Q N 1.232 120.399 119.800 -1.055 0.000 2.096 182 Q HA -0.180 4.132 4.340 -0.045 0.000 0.204 182 Q C 1.874 177.566 176.000 -0.513 0.000 0.982 182 Q CA 2.495 57.637 55.803 -1.101 0.000 0.850 182 Q CB -0.650 27.316 28.738 -1.286 0.000 0.901 182 Q HN 0.240 nan 8.270 nan 0.000 0.422 183 D N -0.458 119.709 120.400 -0.389 0.000 2.117 183 D HA -0.102 4.511 4.640 -0.045 0.000 0.198 183 D C 1.961 178.040 176.300 -0.368 0.000 0.982 183 D CA 0.996 54.772 54.000 -0.373 0.000 0.828 183 D CB -0.078 40.528 40.800 -0.323 0.000 0.967 183 D HN 0.073 nan 8.370 nan 0.000 0.464 184 V N 0.947 120.759 119.914 -0.170 0.000 2.282 184 V HA -0.252 3.841 4.120 -0.045 0.000 0.249 184 V C 2.644 178.617 176.094 -0.201 0.000 1.057 184 V CA 2.002 64.243 62.300 -0.099 0.000 1.032 184 V CB -0.619 31.200 31.823 -0.007 0.000 0.645 184 V HN 0.186 nan 8.190 nan 0.000 0.447 185 S N -0.927 114.676 115.700 -0.162 0.000 2.355 185 S HA -0.177 4.266 4.470 -0.045 0.000 0.222 185 S C 2.006 176.486 174.600 -0.200 0.000 1.031 185 S CA 1.881 59.993 58.200 -0.147 0.000 0.993 185 S CB -0.262 62.953 63.200 0.024 0.000 0.859 185 S HN 0.505 nan 8.310 nan 0.000 0.453 186 M N 0.618 120.098 119.600 -0.199 0.000 2.159 186 M HA 0.009 4.462 4.480 -0.045 0.000 0.263 186 M C 2.058 178.207 176.300 -0.252 0.000 1.063 186 M CA 1.091 56.283 55.300 -0.179 0.000 1.110 186 M CB -0.248 32.257 32.600 -0.159 0.000 1.374 186 M HN 0.094 nan 8.290 nan 0.000 0.411 187 R N 0.443 120.736 120.500 -0.346 0.000 2.328 187 R HA -0.003 4.310 4.340 -0.045 0.000 0.207 187 R C 1.847 177.925 176.300 -0.369 0.000 1.056 187 R CA 0.719 56.608 56.100 -0.352 0.000 1.016 187 R CB -0.819 29.206 30.300 -0.458 0.000 0.872 187 R HN 0.486 nan 8.270 nan 0.000 0.471 188 R N -0.137 120.038 120.500 -0.543 0.000 2.105 188 R HA -0.062 4.251 4.340 -0.045 0.000 0.239 188 R C 2.036 178.094 176.300 -0.403 0.000 1.135 188 R CA 1.281 56.867 56.100 -0.858 0.000 0.967 188 R CB -0.226 29.430 30.300 -1.072 0.000 0.861 188 R HN 0.102 nan 8.270 nan 0.000 0.442 189 M N 0.463 119.909 119.600 -0.257 0.000 2.086 189 M HA -0.174 4.279 4.480 -0.045 0.000 0.261 189 M C 2.168 178.364 176.300 -0.172 0.000 1.067 189 M CA 1.574 56.782 55.300 -0.152 0.000 1.116 189 M CB -0.942 31.580 32.600 -0.131 0.000 1.348 189 M HN 0.215 nan 8.290 nan 0.000 0.407 190 E N 0.233 120.262 120.200 -0.286 0.000 2.051 190 E HA -0.192 4.130 4.350 -0.045 0.000 0.192 190 E C 2.035 178.503 176.600 -0.220 0.000 0.991 190 E CA 1.330 57.437 56.400 -0.489 0.000 0.799 190 E CB 0.011 29.257 29.700 -0.755 0.000 0.748 190 E HN 0.468 nan 8.360 nan 0.000 0.449 191 M N 0.091 119.616 119.600 -0.125 0.000 2.175 191 M HA -0.122 4.331 4.480 -0.045 0.000 0.264 191 M C 2.283 178.641 176.300 0.097 0.000 1.063 191 M CA 1.167 56.490 55.300 0.038 0.000 1.119 191 M CB -0.160 32.530 32.600 0.151 0.000 1.377 191 M HN 0.170 nan 8.290 nan 0.000 0.415 192 I N -0.327 120.269 120.570 0.044 0.000 2.252 192 I HA -0.164 3.979 4.170 -0.045 0.000 0.245 192 I C 1.822 178.065 176.117 0.210 0.000 1.102 192 I CA 0.428 61.827 61.300 0.165 0.000 1.385 192 I CB -0.349 37.695 38.000 0.074 0.000 1.064 192 I HN 0.281 nan 8.210 nan 0.000 0.414 197 E N 1.492 121.652 120.200 -0.067 0.000 2.218 197 E HA 0.456 4.779 4.350 -0.045 0.000 0.263 197 E C -0.058 176.355 176.600 -0.311 0.000 0.879 197 E CA -0.216 56.023 56.400 -0.268 0.000 0.762 197 E CB 1.218 30.650 29.700 -0.446 0.000 1.166 197 E HN 0.290 nan 8.360 nan 0.000 0.415 198 R N 1.626 121.944 120.500 -0.304 0.000 2.404 198 R HA 0.086 4.399 4.340 -0.045 0.000 0.237 198 R C 1.713 177.876 176.300 -0.228 0.000 0.907 198 R CA 0.050 56.033 56.100 -0.196 0.000 1.063 198 R CB 0.351 30.587 30.300 -0.107 0.000 1.134 198 R HN 0.449 nan 8.270 nan 0.000 0.529 199 R N 0.027 120.296 120.500 -0.386 0.000 2.152 199 R HA -0.033 4.280 4.340 -0.045 0.000 0.232 199 R C 1.130 177.328 176.300 -0.170 0.000 1.117 199 R CA 1.183 57.117 56.100 -0.278 0.000 0.981 199 R CB -0.626 29.499 30.300 -0.292 0.000 0.870 199 R HN -0.076 nan 8.270 nan 0.000 0.451 200 F N 1.975 121.843 119.950 -0.138 0.000 2.091 200 F HA -0.118 4.382 4.527 -0.044 0.000 0.299 200 F C 2.298 178.069 175.800 -0.049 0.000 1.103 200 F CA 0.781 58.701 58.000 -0.133 0.000 1.228 200 F CB -0.868 38.034 39.000 -0.164 0.000 0.984 200 F HN -0.084 nan 8.300 nan 0.000 0.477 201 L N -0.222 121.083 121.223 0.138 0.000 2.079 201 L HA -0.238 4.075 4.340 -0.045 0.000 0.210 201 L C 2.481 179.388 176.870 0.061 0.000 1.081 201 L CA 1.762 56.647 54.840 0.076 0.000 0.752 201 L CB -0.729 41.356 42.059 0.043 0.000 0.896 201 L HN 0.284 nan 8.230 nan 0.000 0.433 202 S N -1.964 113.769 115.700 0.056 0.000 2.501 202 S HA -0.008 4.435 4.470 -0.045 0.000 0.220 202 S C 1.522 176.175 174.600 0.088 0.000 0.997 202 S CA 0.192 58.425 58.200 0.055 0.000 0.919 202 S CB 0.078 63.299 63.200 0.035 0.000 0.778 202 S HN 0.481 nan 8.310 nan 0.000 0.523 203 E N 0.624 120.900 120.200 0.127 0.000 2.372 203 E HA 0.229 4.552 4.350 -0.045 0.000 0.201 203 E C 0.368 177.093 176.600 0.208 0.000 0.938 203 E CA 0.414 56.925 56.400 0.185 0.000 0.944 203 E CB 1.347 31.184 29.700 0.229 0.000 0.937 203 E HN 0.547 nan 8.360 nan 0.000 0.495 204 V N -1.918 118.108 119.914 0.188 0.000 3.130 204 V HA 0.344 4.437 4.120 -0.045 0.000 0.310 204 V C -0.348 175.798 176.094 0.086 0.000 1.158 204 V CA -0.846 61.556 62.300 0.169 0.000 1.029 204 V CB 2.254 34.208 31.823 0.219 0.000 1.057 204 V HN -0.196 nan 8.190 nan 0.000 0.436 205 D N -0.277 120.161 120.400 0.063 0.000 2.262 205 D HA 0.172 4.785 4.640 -0.045 0.000 0.212 205 D C -0.378 175.714 176.300 -0.346 0.000 0.964 205 D CA 1.659 55.590 54.000 -0.114 0.000 0.875 205 D CB 0.374 41.138 40.800 -0.059 0.000 0.996 205 D HN 0.638 nan 8.370 nan 0.000 0.497 206 Y N -0.141 120.196 120.300 0.062 0.000 2.485 206 Y HA 0.507 5.030 4.550 -0.045 0.000 0.345 206 Y C -0.140 175.769 175.900 0.015 0.000 0.998 206 Y CA -0.797 57.332 58.100 0.048 0.000 1.059 206 Y CB 2.133 40.627 38.460 0.058 0.000 1.234 206 Y HN -0.322 nan 8.280 nan 0.000 0.461 207 L N 2.830 124.126 121.223 0.122 0.000 2.362 207 L HA 0.717 5.030 4.340 -0.045 0.000 0.275 207 L C -1.241 175.646 176.870 0.028 0.000 0.998 207 L CA -1.039 53.785 54.840 -0.027 0.000 0.820 207 L CB 1.854 43.750 42.059 -0.272 0.000 1.270 207 L HN 0.342 nan 8.230 nan 0.000 0.415 208 V N 1.882 121.833 119.914 0.061 0.000 2.448 208 V HA 0.373 4.466 4.120 -0.045 0.000 0.295 208 V C -0.643 175.387 176.094 -0.106 0.000 1.025 208 V CA -0.547 61.814 62.300 0.101 0.000 0.859 208 V CB 1.761 33.803 31.823 0.365 0.000 0.988 208 V HN 0.810 nan 8.190 nan 0.000 0.431 209 C N 5.629 124.723 119.300 -0.344 0.000 2.293 209 C HA 0.793 5.226 4.460 -0.045 0.000 0.323 209 C C 0.122 174.901 174.990 -0.353 0.000 1.240 209 C CA -0.789 57.946 59.018 -0.471 0.000 1.497 209 C CB 0.423 27.563 27.740 -1.001 0.000 2.171 209 C HN 0.784 nan 8.230 nan 0.000 0.465 210 V N -0.054 119.783 119.914 -0.129 0.000 3.102 210 V HA 0.695 4.788 4.120 -0.045 0.000 0.312 210 V C -0.747 175.376 176.094 0.049 0.000 1.135 210 V CA -0.577 61.714 62.300 -0.017 0.000 1.022 210 V CB 1.615 33.421 31.823 -0.028 0.000 1.056 210 V HN 0.579 nan 8.190 nan 0.000 0.436 211 D N 0.645 121.091 120.400 0.077 0.000 2.362 211 D HA 0.311 4.924 4.640 -0.045 0.000 0.242 211 D C 0.634 176.883 176.300 -0.086 0.000 1.132 211 D CA 0.236 54.230 54.000 -0.009 0.000 0.907 211 D CB 1.936 42.704 40.800 -0.053 0.000 1.195 211 D HN 0.479 nan 8.370 nan 0.000 0.429 212 V N 1.195 121.003 119.914 -0.178 0.000 3.174 212 V HA -0.069 4.024 4.120 -0.045 0.000 0.254 212 V C 0.393 176.354 176.094 -0.222 0.000 1.120 212 V CA 0.665 62.772 62.300 -0.322 0.000 1.114 212 V CB -0.170 31.550 31.823 -0.172 0.000 0.756 212 V HN 0.577 nan 8.190 nan 0.000 0.467 213 D N 1.196 121.327 120.400 -0.449 0.000 2.885 213 D HA 0.126 4.738 4.640 -0.045 0.000 0.234 213 D C 0.050 176.061 176.300 -0.482 0.000 1.129 213 D CA 0.201 53.631 54.000 -0.951 0.000 0.991 213 D CB -0.018 40.069 40.800 -1.189 0.000 1.137 213 D HN 0.285 nan 8.370 nan 0.000 0.459 214 M N 0.577 120.045 119.600 -0.219 0.000 2.644 214 M HA 0.358 4.811 4.480 -0.045 0.000 0.273 214 M C -0.735 175.540 176.300 -0.042 0.000 1.253 214 M CA -0.523 54.599 55.300 -0.296 0.000 0.852 214 M CB 2.468 34.656 32.600 -0.686 0.000 1.708 214 M HN 0.200 nan 8.290 nan 0.000 0.471 215 E N 0.436 120.531 120.200 -0.175 0.000 2.356 215 E HA 0.692 5.014 4.350 -0.045 0.000 0.275 215 E C -1.812 174.781 176.600 -0.012 0.000 0.904 215 E CA -0.687 55.719 56.400 0.010 0.000 0.757 215 E CB 1.974 31.711 29.700 0.062 0.000 1.232 215 E HN 0.336 nan 8.360 nan 0.000 0.442 216 F N 1.340 121.398 119.950 0.180 0.000 2.410 216 F HA 0.396 4.897 4.527 -0.044 0.000 0.348 216 F C 1.525 177.320 175.800 -0.009 0.000 1.106 216 F CA -0.436 57.656 58.000 0.153 0.000 1.163 216 F CB 1.224 40.300 39.000 0.126 0.000 1.129 216 F HN 0.441 nan 8.300 nan 0.000 0.516 217 R N 0.237 120.699 120.500 -0.063 0.000 2.394 217 R HA 0.171 4.484 4.340 -0.045 0.000 0.220 217 R C -0.430 175.505 176.300 -0.608 0.000 0.887 217 R CA 0.056 56.013 56.100 -0.239 0.000 1.034 217 R CB 0.521 30.746 30.300 -0.126 0.000 1.179 217 R HN 0.566 nan 8.270 nan 0.000 0.561 218 D N -0.920 119.102 120.400 -0.630 0.000 2.677 218 D HA 0.030 4.643 4.640 -0.045 0.000 0.298 218 D C -1.412 174.831 176.300 -0.095 0.000 1.250 218 D CA -0.807 52.959 54.000 -0.390 0.000 0.888 218 D CB 1.082 41.806 40.800 -0.127 0.000 1.397 218 D HN -0.025 nan 8.370 nan 0.000 0.461 219 H N -0.133 118.959 119.070 0.037 0.000 3.125 219 H HA 0.326 4.854 4.556 -0.046 0.000 0.310 219 H C -0.830 174.563 175.328 0.109 0.000 0.980 219 H CA 0.685 56.806 56.048 0.121 0.000 1.422 219 H CB 0.275 30.113 29.762 0.125 0.000 1.432 219 H HN -0.082 nan 8.280 nan 0.000 0.577 220 V N 6.345 126.083 119.914 -0.294 0.000 2.380 220 V HA 0.498 4.591 4.120 -0.045 0.000 0.286 220 V C 0.693 176.437 176.094 -0.583 0.000 1.015 220 V CA 0.199 62.423 62.300 -0.127 0.000 0.834 220 V CB 1.114 33.152 31.823 0.358 0.000 1.009 220 V HN 1.043 nan 8.190 nan 0.000 0.428 221 G N 2.153 110.550 108.800 -0.672 0.000 3.243 221 G HA2 0.510 4.443 3.960 -0.045 0.000 0.248 221 G HA3 0.510 4.443 3.960 -0.045 0.000 0.248 221 G C 0.854 175.406 174.900 -0.581 0.000 1.267 221 G CA 0.218 44.927 45.100 -0.651 0.000 0.906 221 G HN 0.793 nan 8.290 nan 0.000 0.592 222 V N -0.326 119.205 119.914 -0.638 0.000 3.241 222 V HA -0.025 4.068 4.120 -0.045 0.000 0.269 222 V C 2.210 177.782 176.094 -0.870 0.000 1.151 222 V CA 2.228 63.935 62.300 -0.989 0.000 1.158 222 V CB -0.643 30.410 31.823 -1.284 0.000 0.764 222 V HN 0.739 nan 8.190 nan 0.000 0.508 223 E N 2.837 122.656 120.200 -0.635 0.000 2.267 223 E HA -0.265 4.057 4.350 -0.045 0.000 0.197 223 E C 2.007 178.196 176.600 -0.686 0.000 0.998 223 E CA 2.215 58.194 56.400 -0.702 0.000 0.830 223 E CB -0.679 28.269 29.700 -1.254 0.000 0.751 223 E HN 0.881 nan 8.360 nan 0.000 0.491 224 I N -1.431 118.682 120.570 -0.761 0.000 3.059 224 I HA 0.126 4.269 4.170 -0.045 0.000 0.270 224 I C 0.935 176.570 176.117 -0.804 0.000 1.238 224 I CA -0.162 60.581 61.300 -0.928 0.000 1.478 224 I CB -0.105 37.219 38.000 -1.126 0.000 1.097 224 I HN -0.151 nan 8.210 nan 0.000 0.455 225 L N 1.991 122.771 121.223 -0.739 0.000 2.380 225 L HA 0.428 4.740 4.340 -0.045 0.000 0.273 225 L C 0.222 176.923 176.870 -0.283 0.000 1.138 225 L CA 0.321 54.733 54.840 -0.714 0.000 0.832 225 L CB 0.985 42.216 42.059 -1.380 0.000 1.124 225 L HN 0.239 nan 8.230 nan 0.000 0.454 226 T N 1.791 116.352 114.554 0.012 0.000 2.800 226 T HA 0.198 4.521 4.350 -0.045 0.000 0.327 226 T C -2.377 172.561 174.700 0.397 0.000 1.838 226 T CA -0.685 61.560 62.100 0.241 0.000 1.024 226 T CB 1.405 70.362 68.868 0.148 0.000 1.755 226 T HN 0.204 nan 8.240 nan 0.000 0.507 227 P HA 0.101 nan 4.420 nan 0.000 0.216 227 P C -0.197 177.224 177.300 0.201 0.000 1.150 227 P CA 0.807 64.049 63.100 0.238 0.000 0.843 227 P CB 0.170 31.967 31.700 0.161 0.000 0.787 228 L N -1.329 120.014 121.223 0.199 0.000 2.543 228 L HA 0.497 4.810 4.340 -0.045 0.000 0.265 228 L C -1.481 175.494 176.870 0.175 0.000 0.945 228 L CA -1.236 53.679 54.840 0.126 0.000 0.869 228 L CB 1.005 43.125 42.059 0.102 0.000 1.294 228 L HN -0.145 nan 8.230 nan 0.000 0.405 229 F N 2.383 122.361 119.950 0.046 0.000 2.576 229 F HA 1.026 5.524 4.527 -0.048 0.000 0.313 229 F C 0.000 175.775 175.800 -0.041 0.000 1.078 229 F CA -0.494 57.493 58.000 -0.023 0.000 0.921 229 F CB 1.598 40.532 39.000 -0.110 0.000 1.232 229 F HN 0.620 nan 8.300 nan 0.000 0.459 230 G N 0.218 109.074 108.800 0.093 0.000 2.685 230 G HA2 0.631 4.564 3.960 -0.045 0.000 0.298 230 G HA3 0.631 4.564 3.960 -0.045 0.000 0.298 230 G C -1.740 173.299 174.900 0.231 0.000 1.277 230 G CA -1.115 44.004 45.100 0.031 0.000 0.986 230 G HN 0.764 nan 8.290 nan 0.000 0.487 231 T N 0.804 115.522 114.554 0.273 0.000 2.841 231 T HA 0.421 4.744 4.350 -0.045 0.000 0.283 231 T C 0.096 174.928 174.700 0.220 0.000 1.000 231 T CA -0.343 61.840 62.100 0.139 0.000 0.977 231 T CB 1.379 70.283 68.868 0.060 0.000 0.979 231 T HN 0.335 nan 8.240 nan 0.000 0.446 232 L N 3.836 125.100 121.223 0.069 0.000 2.477 232 L HA 0.135 4.448 4.340 -0.045 0.000 0.272 232 L C 1.097 178.106 176.870 0.232 0.000 1.157 232 L CA -0.477 54.410 54.840 0.079 0.000 0.889 232 L CB 0.079 42.121 42.059 -0.028 0.000 1.158 232 L HN 0.618 nan 8.230 nan 0.000 0.473 233 H N 7.218 126.415 119.070 0.213 0.000 2.964 233 H HA 0.035 4.565 4.556 -0.043 0.000 0.328 233 H C -1.639 173.891 175.328 0.335 0.000 1.030 233 H CA -1.540 54.687 56.048 0.298 0.000 1.445 233 H CB 1.455 31.505 29.762 0.481 0.000 1.449 233 H HN 0.398 nan 8.280 nan 0.000 0.581 234 P HA -0.072 nan 4.420 nan 0.000 0.222 234 P C 0.988 178.466 177.300 0.296 0.000 1.147 234 P CA 0.727 64.020 63.100 0.322 0.000 0.790 234 P CB 0.448 32.016 31.700 -0.221 0.000 0.780 235 S N -1.604 114.264 115.700 0.280 0.000 2.528 235 S HA 0.164 4.606 4.470 -0.045 0.000 0.219 235 S C 0.881 175.072 174.600 -0.680 0.000 0.985 235 S CA 0.415 58.406 58.200 -0.349 0.000 0.914 235 S CB -0.472 62.311 63.200 -0.695 0.000 0.776 235 S HN 0.165 nan 8.310 nan 0.000 0.526 236 F N -0.463 119.529 119.950 0.070 0.000 2.798 236 F HA 0.244 4.736 4.527 -0.058 0.000 0.328 236 F C 1.303 177.196 175.800 0.155 0.000 1.098 236 F CA -1.010 56.997 58.000 0.011 0.000 1.172 236 F CB -0.147 38.761 39.000 -0.153 0.000 1.072 236 F HN 0.231 nan 8.300 nan 0.000 0.555 237 Y N -0.806 119.701 120.300 0.345 0.000 2.333 237 Y HA 0.136 4.710 4.550 0.040 0.000 0.290 237 Y C 1.881 177.993 175.900 0.352 0.000 1.144 237 Y CA 1.186 59.499 58.100 0.355 0.000 1.228 237 Y CB -1.146 37.512 38.460 0.330 0.000 0.985 237 Y HN -0.012 nan 8.280 nan 0.000 0.542 238 G N -0.099 108.557 108.800 -0.240 0.000 3.088 238 G HA2 0.137 4.070 3.960 -0.045 0.000 0.217 238 G HA3 0.137 4.070 3.960 -0.045 0.000 0.217 238 G C 0.002 174.921 174.900 0.031 0.000 1.159 238 G CA -0.115 44.942 45.100 -0.071 0.000 0.760 238 G HN 0.276 nan 8.290 nan 0.000 0.550 239 S N 0.512 116.293 115.700 0.135 0.000 2.601 239 S HA 0.471 4.913 4.470 -0.045 0.000 0.271 239 S C 0.683 175.268 174.600 -0.026 0.000 1.305 239 S CA -0.510 57.755 58.200 0.109 0.000 1.022 239 S CB 1.406 64.781 63.200 0.290 0.000 0.940 239 S HN 0.495 nan 8.310 nan 0.000 0.525 240 S N 1.641 117.235 115.700 -0.177 0.000 2.592 240 S HA 0.205 4.647 4.470 -0.045 0.000 0.271 240 S C 1.212 175.346 174.600 -0.778 0.000 1.326 240 S CA -0.779 57.223 58.200 -0.331 0.000 1.024 240 S CB 0.584 63.665 63.200 -0.199 0.000 0.921 240 S HN 0.798 nan 8.310 nan 0.000 0.527 241 R N 1.307 121.271 120.500 -0.893 0.000 2.127 241 R HA -0.123 4.190 4.340 -0.045 0.000 0.238 241 R C 1.472 177.355 176.300 -0.695 0.000 1.134 241 R CA 1.509 56.855 56.100 -1.257 0.000 0.975 241 R CB -0.713 29.285 30.300 -0.504 0.000 0.865 241 R HN 0.771 nan 8.270 nan 0.000 0.447 242 E N 1.593 121.562 120.200 -0.384 0.000 2.204 242 E HA -0.134 4.189 4.350 -0.045 0.000 0.195 242 E C 1.800 178.285 176.600 -0.191 0.000 0.990 242 E CA 1.368 57.646 56.400 -0.202 0.000 0.821 242 E CB -0.232 29.395 29.700 -0.123 0.000 0.750 242 E HN 0.547 nan 8.360 nan 0.000 0.477 243 A N 1.086 123.755 122.820 -0.253 0.000 2.123 243 A HA 0.131 4.424 4.320 -0.045 0.000 0.214 243 A C 0.950 178.455 177.584 -0.133 0.000 1.152 243 A CA -0.422 51.534 52.037 -0.135 0.000 0.728 243 A CB -0.560 18.401 19.000 -0.066 0.000 0.814 243 A HN 0.157 nan 8.150 nan 0.000 0.464 244 F N 1.178 120.882 119.950 -0.410 0.000 2.602 244 F HA 0.032 4.524 4.527 -0.058 0.000 0.367 244 F C 1.538 176.853 175.800 -0.809 0.000 1.126 244 F CA 0.416 57.892 58.000 -0.874 0.000 1.321 244 F CB 0.705 39.030 39.000 -1.126 0.000 1.094 244 F HN 0.167 nan 8.300 nan 0.000 0.594 245 T N 0.998 114.983 114.554 -0.949 0.000 3.467 245 T HA 0.195 4.517 4.350 -0.045 0.000 0.232 245 T C -0.127 174.602 174.700 0.049 0.000 0.876 245 T CA -0.391 61.481 62.100 -0.380 0.000 0.939 245 T CB -1.170 67.504 68.868 -0.324 0.000 1.165 245 T HN 0.352 nan 8.240 nan 0.000 0.615 246 Y N 0.947 121.329 120.300 0.135 0.000 2.459 246 Y HA 0.174 4.707 4.550 -0.028 0.000 0.349 246 Y C 1.195 177.175 175.900 0.134 0.000 1.266 246 Y CA -1.182 57.041 58.100 0.206 0.000 1.483 246 Y CB 0.441 38.987 38.460 0.144 0.000 1.362 246 Y HN 0.253 nan 8.280 nan 0.000 0.628 247 E N 1.637 121.997 120.200 0.267 0.000 2.415 247 E HA -0.018 4.305 4.350 -0.045 0.000 0.260 247 E C -0.033 176.697 176.600 0.216 0.000 1.016 247 E CA 0.053 56.541 56.400 0.148 0.000 0.924 247 E CB 0.474 30.196 29.700 0.036 0.000 0.961 247 E HN 0.376 nan 8.360 nan 0.000 0.459 248 R N 3.841 124.469 120.500 0.213 0.000 2.397 248 R HA 0.187 4.499 4.340 -0.045 0.000 0.241 248 R C -0.062 176.401 176.300 0.271 0.000 0.914 248 R CA -0.032 56.251 56.100 0.304 0.000 1.071 248 R CB 0.091 30.506 30.300 0.193 0.000 1.116 248 R HN 0.375 nan 8.270 nan 0.000 0.524 249 R N 1.530 122.103 120.500 0.122 0.000 2.216 249 R HA 0.175 4.488 4.340 -0.045 0.000 0.332 249 R C -1.719 174.412 176.300 -0.280 0.000 1.056 249 R CA -1.671 54.386 56.100 -0.073 0.000 0.901 249 R CB 0.853 31.120 30.300 -0.054 0.000 1.039 249 R HN -0.181 nan 8.270 nan 0.000 0.456 250 P HA -0.151 nan 4.420 nan 0.000 0.223 250 P C 0.430 177.521 177.300 -0.348 0.000 1.144 250 P CA 0.994 63.527 63.100 -0.945 0.000 0.783 250 P CB 0.371 31.591 31.700 -0.799 0.000 0.771 251 Q N -1.185 118.488 119.800 -0.211 0.000 2.436 251 Q HA 0.029 4.341 4.340 -0.045 0.000 0.209 251 Q C 0.916 176.882 176.000 -0.056 0.000 0.965 251 Q CA 0.538 56.275 55.803 -0.109 0.000 0.910 251 Q CB -0.410 28.276 28.738 -0.086 0.000 0.980 251 Q HN 0.107 nan 8.270 nan 0.000 0.491 252 S N -0.338 115.339 115.700 -0.039 0.000 2.541 252 S HA 0.108 4.550 4.470 -0.045 0.000 0.283 252 S C 0.788 175.418 174.600 0.051 0.000 1.196 252 S CA -0.685 57.522 58.200 0.012 0.000 1.062 252 S CB 0.875 64.076 63.200 0.002 0.000 1.009 252 S HN 0.056 nan 8.310 nan 0.000 0.502 253 Q N 2.895 122.740 119.800 0.074 0.000 2.291 253 Q HA -0.038 4.275 4.340 -0.045 0.000 0.206 253 Q C 1.857 177.890 176.000 0.055 0.000 0.976 253 Q CA 1.443 57.302 55.803 0.093 0.000 0.875 253 Q CB -0.655 28.164 28.738 0.135 0.000 0.927 253 Q HN 0.801 nan 8.270 nan 0.000 0.450 254 A N -0.278 122.500 122.820 -0.070 0.000 2.251 254 A HA -0.040 4.253 4.320 -0.045 0.000 0.209 254 A C 0.400 177.941 177.584 -0.072 0.000 1.187 254 A CA -0.438 51.471 52.037 -0.215 0.000 0.823 254 A CB -0.479 18.162 19.000 -0.599 0.000 0.846 254 A HN 0.282 nan 8.150 nan 0.000 0.486 255 Y N 0.907 121.144 120.300 -0.105 0.000 2.717 255 Y HA 0.304 4.828 4.550 -0.044 0.000 0.330 255 Y C -0.346 175.500 175.900 -0.090 0.000 1.217 255 Y CA -0.237 57.821 58.100 -0.071 0.000 1.506 255 Y CB -0.074 38.358 38.460 -0.047 0.000 1.268 255 Y HN 0.209 nan 8.280 nan 0.000 0.561 256 I N 9.395 129.597 120.570 -0.613 0.000 2.478 256 I HA 0.311 4.453 4.170 -0.045 0.000 0.287 256 I C -2.380 173.327 176.117 -0.683 0.000 1.042 256 I CA -2.285 58.596 61.300 -0.699 0.000 1.067 256 I CB 2.014 39.647 38.000 -0.613 0.000 1.233 256 I HN 0.507 nan 8.210 nan 0.000 0.431 257 P HA 0.095 nan 4.420 nan 0.000 0.270 257 P C 0.346 177.607 177.300 -0.066 0.000 1.223 257 P CA -0.427 62.494 63.100 -0.298 0.000 0.785 257 P CB 0.712 32.304 31.700 -0.179 0.000 0.923 258 K N 1.292 121.700 120.400 0.014 0.000 2.280 258 K HA -0.122 4.170 4.320 -0.045 0.000 0.202 258 K C 0.736 177.337 176.600 0.002 0.000 1.047 258 K CA 1.451 57.753 56.287 0.025 0.000 0.942 258 K CB -0.554 31.958 32.500 0.020 0.000 0.739 258 K HN 0.603 nan 8.250 nan 0.000 0.457 259 D N -0.107 120.289 120.400 -0.007 0.000 2.340 259 D HA 0.020 4.633 4.640 -0.045 0.000 0.217 259 D C -0.008 176.285 176.300 -0.012 0.000 1.081 259 D CA 0.003 53.995 54.000 -0.014 0.000 0.842 259 D CB 0.044 40.836 40.800 -0.014 0.000 0.934 259 D HN 0.097 nan 8.370 nan 0.000 0.511 260 E N -0.369 119.829 120.200 -0.003 0.000 2.263 260 E HA 0.654 4.977 4.350 -0.045 0.000 0.264 260 E C -0.290 176.383 176.600 0.121 0.000 0.923 260 E CA -1.186 55.214 56.400 0.001 0.000 0.802 260 E CB 2.159 31.808 29.700 -0.085 0.000 1.228 260 E HN 0.186 nan 8.360 nan 0.000 0.417 261 G N 1.635 110.510 108.800 0.124 0.000 2.653 261 G HA2 -0.083 3.849 3.960 -0.045 0.000 0.656 261 G HA3 -0.083 3.849 3.960 -0.045 0.000 0.656 261 G C -0.575 174.472 174.900 0.244 0.000 1.419 261 G CA -0.710 44.581 45.100 0.318 0.000 0.862 261 G HN 0.506 nan 8.290 nan 0.000 0.639 262 D N 0.246 120.754 120.400 0.181 0.000 2.320 262 D HA 0.255 4.868 4.640 -0.045 0.000 0.228 262 D C 0.733 176.816 176.300 -0.363 0.000 0.978 262 D CA 1.313 55.239 54.000 -0.124 0.000 0.905 262 D CB 0.281 41.094 40.800 0.022 0.000 1.051 262 D HN 0.344 nan 8.370 nan 0.000 0.471 263 F N -1.383 118.676 119.950 0.182 0.000 2.664 263 F HA 0.342 4.834 4.527 -0.059 0.000 0.317 263 F C -0.909 174.450 175.800 -0.735 0.000 1.108 263 F CA -1.363 56.498 58.000 -0.232 0.000 0.957 263 F CB 1.649 40.348 39.000 -0.501 0.000 1.365 263 F HN -0.289 nan 8.300 nan 0.000 0.475 264 Y N 1.808 121.507 120.300 -1.002 0.000 2.417 264 Y HA 0.471 4.998 4.550 -0.038 0.000 0.336 264 Y C -1.255 174.442 175.900 -0.340 0.000 0.961 264 Y CA -1.112 56.462 58.100 -0.877 0.000 1.215 264 Y CB 0.179 37.831 38.460 -1.347 0.000 1.120 264 Y HN 0.367 nan 8.280 nan 0.000 0.499 265 Y N 4.945 125.038 120.300 -0.345 0.000 2.320 265 Y HA 0.294 4.824 4.550 -0.032 0.000 0.324 265 Y C 0.448 176.267 175.900 -0.136 0.000 1.190 265 Y CA -0.934 57.097 58.100 -0.115 0.000 1.215 265 Y CB 0.781 39.214 38.460 -0.045 0.000 1.221 265 Y HN 0.398 nan 8.280 nan 0.000 0.486 266 M N 2.162 121.907 119.600 0.242 0.000 2.185 266 M HA 0.132 4.585 4.480 -0.045 0.000 0.357 266 M C 1.236 177.672 176.300 0.226 0.000 1.260 266 M CA -0.045 55.382 55.300 0.212 0.000 1.124 266 M CB 1.004 33.699 32.600 0.158 0.000 1.600 266 M HN 1.025 nan 8.290 nan 0.000 0.467 267 G N 2.865 111.785 108.800 0.201 0.000 2.559 267 G HA2 -0.011 3.921 3.960 -0.045 0.000 0.216 267 G HA3 -0.011 3.921 3.960 -0.045 0.000 0.216 267 G C 0.978 176.068 174.900 0.316 0.000 1.126 267 G CA 0.792 46.032 45.100 0.235 0.000 0.778 267 G HN 0.805 nan 8.290 nan 0.000 0.543 268 A N -0.633 122.346 122.820 0.265 0.000 2.251 268 A HA 0.579 4.871 4.320 -0.045 0.000 0.209 268 A C 0.204 178.007 177.584 0.365 0.000 1.187 268 A CA -0.172 52.005 52.037 0.234 0.000 0.823 268 A CB -0.150 18.921 19.000 0.119 0.000 0.846 268 A HN 0.424 nan 8.150 nan 0.000 0.486 269 F N 0.462 120.562 119.950 0.251 0.000 3.482 269 F HA 0.436 4.936 4.527 -0.045 0.000 0.383 269 F C -1.412 174.547 175.800 0.264 0.000 1.242 269 F CA -1.475 56.667 58.000 0.237 0.000 1.339 269 F CB 0.709 39.920 39.000 0.351 0.000 1.855 269 F HN 0.187 nan 8.300 nan 0.000 0.731 270 F N 3.015 123.167 119.950 0.337 0.000 2.692 270 F HA 1.047 5.546 4.527 -0.047 0.000 0.320 270 F C -0.381 175.079 175.800 -0.567 0.000 1.123 270 F CA -0.683 57.188 58.000 -0.215 0.000 0.961 270 F CB 1.635 40.501 39.000 -0.224 0.000 1.383 270 F HN 0.494 nan 8.300 nan 0.000 0.483 271 G N -1.048 107.053 108.800 -1.164 0.000 2.341 271 G HA2 0.665 4.598 3.960 -0.045 0.000 0.299 271 G HA3 0.665 4.598 3.960 -0.045 0.000 0.299 271 G C -0.893 173.632 174.900 -0.625 0.000 1.274 271 G CA 0.016 44.596 45.100 -0.867 0.000 0.853 271 G HN 2.081 nan 8.290 nan 0.000 0.493 272 G N -1.279 107.486 108.800 -0.057 0.000 2.351 272 G HA2 0.600 4.533 3.960 -0.045 0.000 0.279 272 G HA3 0.600 4.533 3.960 -0.045 0.000 0.279 272 G C 0.122 175.205 174.900 0.306 0.000 1.297 272 G CA 0.837 46.061 45.100 0.208 0.000 0.886 272 G HN 2.172 nan 8.290 nan 0.000 0.493 273 S N -0.602 115.212 115.700 0.190 0.000 2.584 273 S HA 0.361 4.804 4.470 -0.045 0.000 0.270 273 S C 1.660 176.230 174.600 -0.050 0.000 1.346 273 S CA 0.284 58.438 58.200 -0.077 0.000 1.018 273 S CB 1.423 64.556 63.200 -0.112 0.000 0.899 273 S HN 1.413 nan 8.310 nan 0.000 0.542 274 V N 1.919 121.777 119.914 -0.094 0.000 2.282 274 V HA -0.253 3.840 4.120 -0.045 0.000 0.249 274 V C 2.937 179.018 176.094 -0.021 0.000 1.057 274 V CA 2.463 64.734 62.300 -0.049 0.000 1.032 274 V CB -1.356 30.460 31.823 -0.010 0.000 0.645 274 V HN 1.026 nan 8.190 nan 0.000 0.447 275 Q N -0.423 119.364 119.800 -0.022 0.000 2.061 275 Q HA -0.255 4.058 4.340 -0.045 0.000 0.204 275 Q C 2.298 178.295 176.000 -0.005 0.000 0.984 275 Q CA 1.974 57.773 55.803 -0.006 0.000 0.846 275 Q CB -0.079 28.657 28.738 -0.005 0.000 0.902 275 Q HN 0.611 nan 8.270 nan 0.000 0.421 276 E N -0.351 119.848 120.200 -0.001 0.000 2.107 276 E HA -0.107 4.215 4.350 -0.045 0.000 0.191 276 E C 2.146 178.726 176.600 -0.033 0.000 0.982 276 E CA 0.936 57.340 56.400 0.007 0.000 0.809 276 E CB -0.061 29.664 29.700 0.041 0.000 0.756 276 E HN 0.260 nan 8.360 nan 0.000 0.459 277 V N 1.729 121.625 119.914 -0.031 0.000 2.358 277 V HA -0.236 3.856 4.120 -0.045 0.000 0.246 277 V C 2.385 178.444 176.094 -0.058 0.000 1.047 277 V CA 1.575 63.852 62.300 -0.038 0.000 1.035 277 V CB -0.450 31.348 31.823 -0.041 0.000 0.658 277 V HN 0.253 nan 8.190 nan 0.000 0.452 278 Q N -0.401 119.378 119.800 -0.036 0.000 2.167 278 Q HA -0.168 4.145 4.340 -0.045 0.000 0.202 278 Q C 2.474 178.434 176.000 -0.067 0.000 0.970 278 Q CA 1.207 56.998 55.803 -0.020 0.000 0.855 278 Q CB -0.195 28.562 28.738 0.031 0.000 0.911 278 Q HN 0.592 nan 8.270 nan 0.000 0.438 279 R N 0.630 121.083 120.500 -0.079 0.000 2.083 279 R HA -0.138 4.175 4.340 -0.045 0.000 0.237 279 R C 2.415 178.538 176.300 -0.295 0.000 1.137 279 R CA 1.218 57.254 56.100 -0.106 0.000 0.951 279 R CB -0.453 29.826 30.300 -0.034 0.000 0.851 279 R HN 0.237 nan 8.270 nan 0.000 0.434 280 L N 0.804 121.733 121.223 -0.491 0.000 1.994 280 L HA -0.194 4.118 4.340 -0.045 0.000 0.208 280 L C 2.479 178.950 176.870 -0.664 0.000 1.071 280 L CA 2.165 56.369 54.840 -1.061 0.000 0.745 280 L CB -0.558 40.983 42.059 -0.863 0.000 0.892 280 L HN 0.359 nan 8.230 nan 0.000 0.431 281 T N -2.757 111.591 114.554 -0.343 0.000 2.821 281 T HA -0.254 4.069 4.350 -0.045 0.000 0.267 281 T C 2.018 176.634 174.700 -0.140 0.000 1.046 281 T CA 1.263 63.240 62.100 -0.205 0.000 1.139 281 T CB -0.499 68.327 68.868 -0.070 0.000 0.871 281 T HN 0.380 nan 8.240 nan 0.000 0.454 282 R N 1.424 121.855 120.500 -0.115 0.000 2.073 282 R HA -0.003 4.310 4.340 -0.045 0.000 0.234 282 R C 2.761 179.029 176.300 -0.053 0.000 1.134 282 R CA 1.513 57.590 56.100 -0.038 0.000 0.952 282 R CB -0.836 29.447 30.300 -0.029 0.000 0.850 282 R HN 0.486 nan 8.270 nan 0.000 0.433 283 A N 0.377 123.119 122.820 -0.129 0.000 1.902 283 A HA -0.189 4.104 4.320 -0.045 0.000 0.217 283 A C 2.510 180.040 177.584 -0.091 0.000 1.181 283 A CA 1.656 53.646 52.037 -0.079 0.000 0.623 283 A CB -0.932 18.061 19.000 -0.011 0.000 0.818 283 A HN 0.608 nan 8.150 nan 0.000 0.443 284 C N -1.827 117.366 119.300 -0.178 0.000 2.446 284 C HA -0.038 4.395 4.460 -0.045 0.000 0.277 284 C C 2.643 177.515 174.990 -0.197 0.000 1.275 284 C CA 1.189 60.106 59.018 -0.168 0.000 1.727 284 C CB -1.460 26.152 27.740 -0.213 0.000 2.010 284 C HN 0.843 nan 8.230 nan 0.000 0.486 285 H N 1.154 120.095 119.070 -0.215 0.000 2.319 285 H HA -0.140 4.389 4.556 -0.046 0.000 0.299 285 H C 2.211 177.439 175.328 -0.166 0.000 1.092 285 H CA 1.995 57.927 56.048 -0.193 0.000 1.302 285 H CB -0.381 29.297 29.762 -0.140 0.000 1.373 285 H HN 0.521 nan 8.280 nan 0.000 0.497 286 Q N -0.423 119.206 119.800 -0.286 0.000 2.124 286 Q HA -0.092 4.221 4.340 -0.045 0.000 0.202 286 Q C 2.530 178.390 176.000 -0.233 0.000 0.977 286 Q CA 1.114 56.738 55.803 -0.297 0.000 0.850 286 Q CB -0.131 28.528 28.738 -0.131 0.000 0.901 286 Q HN 0.622 nan 8.270 nan 0.000 0.429 287 A N 0.811 123.524 122.820 -0.178 0.000 1.930 287 A HA -0.155 4.138 4.320 -0.045 0.000 0.217 287 A C 2.047 179.502 177.584 -0.215 0.000 1.175 287 A CA 1.191 53.164 52.037 -0.108 0.000 0.627 287 A CB -0.424 18.604 19.000 0.047 0.000 0.815 287 A HN 0.272 nan 8.150 nan 0.000 0.443 288 M N -1.109 118.213 119.600 -0.463 0.000 2.175 288 M HA -0.120 4.332 4.480 -0.045 0.000 0.264 288 M C 2.321 178.475 176.300 -0.243 0.000 1.063 288 M CA 1.397 56.439 55.300 -0.431 0.000 1.119 288 M CB -0.412 31.911 32.600 -0.460 0.000 1.377 288 M HN 0.435 nan 8.290 nan 0.000 0.415 289 M N -0.680 118.741 119.600 -0.298 0.000 2.117 289 M HA -0.170 4.283 4.480 -0.045 0.000 0.262 289 M C 2.183 178.401 176.300 -0.138 0.000 1.065 289 M CA 1.277 56.435 55.300 -0.236 0.000 1.114 289 M CB -0.572 31.829 32.600 -0.331 0.000 1.361 289 M HN 0.129 nan 8.290 nan 0.000 0.408 290 V N 0.686 120.528 119.914 -0.121 0.000 2.255 290 V HA -0.291 3.802 4.120 -0.045 0.000 0.247 290 V C 1.781 177.852 176.094 -0.038 0.000 1.051 290 V CA 2.090 64.352 62.300 -0.064 0.000 1.018 290 V CB -0.760 31.039 31.823 -0.041 0.000 0.641 290 V HN 0.376 nan 8.190 nan 0.000 0.445 291 D N -0.622 119.766 120.400 -0.021 0.000 2.116 291 D HA -0.227 4.386 4.640 -0.045 0.000 0.193 291 D C 2.212 178.500 176.300 -0.019 0.000 0.998 291 D CA 1.636 55.640 54.000 0.006 0.000 0.836 291 D CB -0.252 40.589 40.800 0.068 0.000 0.951 291 D HN 0.513 nan 8.370 nan 0.000 0.449 292 Q N -0.125 119.650 119.800 -0.042 0.000 2.084 292 Q HA -0.147 4.166 4.340 -0.045 0.000 0.202 292 Q C 2.035 178.014 176.000 -0.035 0.000 0.978 292 Q CA 1.548 57.325 55.803 -0.042 0.000 0.844 292 Q CB -0.109 28.595 28.738 -0.057 0.000 0.898 292 Q HN 0.243 nan 8.270 nan 0.000 0.426 293 A N 0.825 123.621 122.820 -0.039 0.000 1.978 293 A HA -0.194 4.099 4.320 -0.045 0.000 0.220 293 A C 1.387 178.956 177.584 -0.026 0.000 1.170 293 A CA 1.732 53.751 52.037 -0.031 0.000 0.636 293 A CB -0.589 18.390 19.000 -0.034 0.000 0.810 293 A HN 0.576 nan 8.150 nan 0.000 0.448 294 N N -0.858 117.827 118.700 -0.025 0.000 2.383 294 N HA 0.293 5.006 4.740 -0.045 0.000 0.192 294 N C 0.747 176.243 175.510 -0.023 0.000 1.141 294 N CA 0.280 53.316 53.050 -0.023 0.000 0.851 294 N CB 0.121 38.595 38.487 -0.021 0.000 0.976 294 N HN 0.566 nan 8.380 nan 0.000 0.465 295 G N 1.869 110.656 108.800 -0.023 0.000 2.323 295 G HA2 -0.282 3.651 3.960 -0.045 0.000 0.292 295 G HA3 -0.282 3.651 3.960 -0.045 0.000 0.292 295 G C -0.216 174.669 174.900 -0.025 0.000 1.040 295 G CA 0.290 45.376 45.100 -0.024 0.000 0.942 295 G HN 0.420 nan 8.290 nan 0.000 0.506 296 I N -1.075 119.482 120.570 -0.022 0.000 2.647 296 I HA 0.704 4.846 4.170 -0.045 0.000 0.295 296 I C -0.632 175.479 176.117 -0.010 0.000 1.078 296 I CA -1.182 60.106 61.300 -0.021 0.000 1.048 296 I CB 1.896 39.883 38.000 -0.021 0.000 1.239 296 I HN 0.156 nan 8.210 nan 0.000 0.421 297 E N 6.216 126.404 120.200 -0.019 0.000 2.191 297 E HA 0.650 4.972 4.350 -0.045 0.000 0.263 297 E C -0.904 175.675 176.600 -0.035 0.000 0.881 297 E CA -0.812 55.586 56.400 -0.003 0.000 0.757 297 E CB 1.787 31.478 29.700 -0.015 0.000 1.147 297 E HN 0.753 nan 8.360 nan 0.000 0.414 298 A N 3.490 126.308 122.820 -0.002 0.000 2.483 298 A HA 0.022 4.315 4.320 -0.045 0.000 0.238 298 A C 1.264 178.681 177.584 -0.277 0.000 1.070 298 A CA 0.031 52.007 52.037 -0.102 0.000 0.770 298 A CB 0.917 19.839 19.000 -0.130 0.000 1.008 298 A HN 0.704 nan 8.150 nan 0.000 0.497 299 V N 1.305 121.046 119.914 -0.288 0.000 2.324 299 V HA -0.196 3.897 4.120 -0.045 0.000 0.250 299 V C 1.026 176.524 176.094 -0.993 0.000 1.060 299 V CA 2.027 64.014 62.300 -0.522 0.000 1.042 299 V CB -0.388 31.232 31.823 -0.339 0.000 0.650 299 V HN 0.852 nan 8.190 nan 0.000 0.450 300 W N -0.613 120.491 121.300 -0.327 0.000 2.570 300 W HA 0.464 5.100 4.660 -0.040 0.000 0.410 300 W C 1.002 177.421 176.519 -0.167 0.000 0.889 300 W CA 0.047 57.231 57.345 -0.267 0.000 2.386 300 W CB -0.151 29.363 29.460 0.090 0.000 1.228 300 W HN 0.546 nan 8.180 nan 0.000 0.692 301 H N -0.797 118.385 119.070 0.187 0.000 1.452 301 H HA -0.354 4.175 4.556 -0.045 0.000 0.090 301 H C 1.672 177.139 175.328 0.232 0.000 0.789 301 H CA 1.646 57.782 56.048 0.148 0.000 1.901 301 H CB -1.048 28.769 29.762 0.092 0.000 2.257 301 H HN 0.194 nan 8.280 nan 0.000 0.961 302 D N 0.918 121.501 120.400 0.305 0.000 2.182 302 D HA -0.181 4.431 4.640 -0.045 0.000 0.201 302 D C 1.738 178.141 176.300 0.170 0.000 0.986 302 D CA 1.766 55.877 54.000 0.185 0.000 0.847 302 D CB -0.521 40.318 40.800 0.066 0.000 0.942 302 D HN 0.692 nan 8.370 nan 0.000 0.467 303 E N 0.893 121.226 120.200 0.221 0.000 2.110 303 E HA -0.142 4.181 4.350 -0.045 0.000 0.193 303 E C 1.909 178.574 176.600 0.108 0.000 0.988 303 E CA 0.967 57.462 56.400 0.159 0.000 0.804 303 E CB 0.143 29.988 29.700 0.242 0.000 0.745 303 E HN 0.096 nan 8.360 nan 0.000 0.458 304 S N -0.286 115.510 115.700 0.159 0.000 2.368 304 S HA -0.171 4.272 4.470 -0.045 0.000 0.225 304 S C 1.604 176.149 174.600 -0.091 0.000 1.030 304 S CA 1.493 59.725 58.200 0.053 0.000 0.999 304 S CB -0.384 62.799 63.200 -0.029 0.000 0.844 304 S HN 0.467 nan 8.310 nan 0.000 0.459 305 H N 0.555 119.636 119.070 0.017 0.000 2.363 305 H HA 0.075 4.605 4.556 -0.044 0.000 0.301 305 H C 2.063 177.362 175.328 -0.048 0.000 1.074 305 H CA 1.139 57.176 56.048 -0.019 0.000 1.354 305 H CB -0.333 29.406 29.762 -0.038 0.000 1.397 305 H HN 0.162 nan 8.280 nan 0.000 0.516 306 L N 0.818 122.044 121.223 0.005 0.000 2.013 306 L HA -0.217 4.096 4.340 -0.045 0.000 0.212 306 L C 1.748 178.591 176.870 -0.046 0.000 1.073 306 L CA 1.725 56.489 54.840 -0.127 0.000 0.753 306 L CB -0.576 41.347 42.059 -0.225 0.000 0.890 306 L HN 0.285 nan 8.230 nan 0.000 0.432 307 N N -0.278 118.409 118.700 -0.022 0.000 2.120 307 N HA -0.227 4.486 4.740 -0.045 0.000 0.188 307 N C 1.873 177.348 175.510 -0.058 0.000 1.024 307 N CA 1.407 54.468 53.050 0.019 0.000 0.852 307 N CB -0.104 38.385 38.487 0.003 0.000 1.003 307 N HN 0.281 nan 8.380 nan 0.000 0.424 308 K N 0.839 121.183 120.400 -0.094 0.000 2.026 308 K HA -0.153 4.140 4.320 -0.045 0.000 0.208 308 K C 2.014 178.603 176.600 -0.018 0.000 1.048 308 K CA 1.106 57.326 56.287 -0.112 0.000 0.929 308 K CB -0.797 31.653 32.500 -0.083 0.000 0.713 308 K HN 0.176 nan 8.250 nan 0.000 0.439 309 Y N 0.614 120.879 120.300 -0.059 0.000 2.145 309 Y HA -0.112 4.409 4.550 -0.047 0.000 0.286 309 Y C 1.594 177.505 175.900 0.019 0.000 1.145 309 Y CA 1.867 59.968 58.100 0.002 0.000 1.148 309 Y CB -0.031 38.360 38.460 -0.115 0.000 0.981 309 Y HN 0.022 nan 8.280 nan 0.000 0.507 310 L N -0.542 120.704 121.223 0.038 0.000 2.376 310 L HA -0.126 4.186 4.340 -0.045 0.000 0.219 310 L C 2.145 178.969 176.870 -0.076 0.000 1.133 310 L CA 0.335 55.121 54.840 -0.090 0.000 0.816 310 L CB -0.407 41.442 42.059 -0.351 0.000 0.933 310 L HN 0.324 nan 8.230 nan 0.000 0.449 311 L N -0.177 121.006 121.223 -0.067 0.000 2.044 311 L HA -0.101 4.212 4.340 -0.045 0.000 0.205 311 L C 2.539 179.252 176.870 -0.263 0.000 1.075 311 L CA 1.709 56.471 54.840 -0.131 0.000 0.747 311 L CB -0.387 41.569 42.059 -0.171 0.000 0.903 311 L HN 0.086 nan 8.230 nan 0.000 0.435 312 R N -0.989 119.321 120.500 -0.316 0.000 2.246 312 R HA 0.154 4.467 4.340 -0.045 0.000 0.199 312 R C -0.145 175.680 176.300 -0.791 0.000 0.984 312 R CA 0.278 56.079 56.100 -0.499 0.000 1.015 312 R CB -0.548 29.453 30.300 -0.500 0.000 0.930 312 R HN 0.505 nan 8.270 nan 0.000 0.475 313 H N 0.504 119.277 119.070 -0.495 0.000 2.953 313 H HA 0.253 4.782 4.556 -0.046 0.000 0.290 313 H C -0.553 174.548 175.328 -0.378 0.000 1.113 313 H CA -0.689 55.071 56.048 -0.479 0.000 1.454 313 H CB 0.936 30.249 29.762 -0.748 0.000 1.525 313 H HN -0.371 nan 8.280 nan 0.000 0.505 314 K N 3.856 124.045 120.400 -0.351 0.000 2.412 314 K HA 0.131 4.424 4.320 -0.045 0.000 0.281 314 K C -2.345 174.179 176.600 -0.127 0.000 1.027 314 K CA -1.773 54.204 56.287 -0.517 0.000 0.989 314 K CB 0.329 32.072 32.500 -1.262 0.000 0.935 314 K HN 0.445 nan 8.250 nan 0.000 0.475 315 P HA 0.016 nan 4.420 nan 0.000 0.271 315 P C 0.545 178.083 177.300 0.397 0.000 1.218 315 P CA -0.053 63.175 63.100 0.213 0.000 0.780 315 P CB 0.407 32.222 31.700 0.191 0.000 0.901 316 T N -1.203 113.521 114.554 0.284 0.000 3.067 316 T HA 0.128 4.451 4.350 -0.045 0.000 0.257 316 T C 0.587 175.415 174.700 0.213 0.000 1.105 316 T CA 0.636 62.899 62.100 0.272 0.000 1.104 316 T CB 0.030 69.020 68.868 0.203 0.000 0.925 316 T HN 0.352 nan 8.240 nan 0.000 0.498 317 K N 0.190 120.709 120.400 0.198 0.000 2.512 317 K HA 0.688 4.981 4.320 -0.045 0.000 0.263 317 K C -1.857 174.807 176.600 0.107 0.000 0.966 317 K CA -0.914 55.424 56.287 0.086 0.000 0.851 317 K CB 3.190 35.659 32.500 -0.051 0.000 1.395 317 K HN -0.113 nan 8.250 nan 0.000 0.440 318 V N 2.870 122.781 119.914 -0.005 0.000 2.588 318 V HA 0.398 4.491 4.120 -0.045 0.000 0.304 318 V C -0.495 175.448 176.094 -0.251 0.000 1.042 318 V CA -0.969 61.313 62.300 -0.030 0.000 0.877 318 V CB 1.582 33.386 31.823 -0.031 0.000 0.996 318 V HN 0.555 nan 8.190 nan 0.000 0.425 319 L N 3.780 124.809 121.223 -0.323 0.000 2.326 319 L HA 0.484 4.796 4.340 -0.045 0.000 0.278 319 L C 0.964 177.580 176.870 -0.423 0.000 1.092 319 L CA -0.120 54.393 54.840 -0.545 0.000 0.810 319 L CB 1.633 43.197 42.059 -0.825 0.000 1.153 319 L HN 0.856 nan 8.230 nan 0.000 0.439 320 S N 2.328 117.699 115.700 -0.548 0.000 2.608 320 S HA 0.226 4.669 4.470 -0.045 0.000 0.261 320 S C -1.931 172.443 174.600 -0.376 0.000 1.314 320 S CA -1.044 56.629 58.200 -0.878 0.000 0.992 320 S CB 0.661 62.736 63.200 -1.874 0.000 0.935 320 S HN 0.454 nan 8.310 nan 0.000 0.564 321 P HA 0.019 nan 4.420 nan 0.000 0.234 321 P C 0.733 178.028 177.300 -0.008 0.000 1.167 321 P CA 0.725 63.815 63.100 -0.017 0.000 0.763 321 P CB -0.157 31.601 31.700 0.096 0.000 0.835 322 E N -1.255 118.818 120.200 -0.212 0.000 2.171 322 E HA -0.221 4.102 4.350 -0.045 0.000 0.197 322 E C 0.976 177.447 176.600 -0.216 0.000 0.997 322 E CA 1.240 57.469 56.400 -0.284 0.000 0.810 322 E CB -0.601 28.883 29.700 -0.360 0.000 0.738 322 E HN 0.452 nan 8.360 nan 0.000 0.467 323 Y N -0.640 119.664 120.300 0.007 0.000 2.511 323 Y HA 0.234 4.755 4.550 -0.049 0.000 0.279 323 Y C 0.449 176.598 175.900 0.415 0.000 1.157 323 Y CA 0.191 58.401 58.100 0.183 0.000 1.300 323 Y CB 0.674 39.096 38.460 -0.064 0.000 1.052 323 Y HN -0.073 nan 8.280 nan 0.000 0.529 324 L N 0.331 121.772 121.223 0.363 0.000 2.666 324 L HA 0.237 4.550 4.340 -0.045 0.000 0.258 324 L C -1.557 175.439 176.870 0.210 0.000 0.991 324 L CA -0.191 54.811 54.840 0.270 0.000 0.916 324 L CB 0.869 43.094 42.059 0.277 0.000 1.199 324 L HN 0.114 nan 8.230 nan 0.000 0.439 325 W N 3.822 125.046 121.300 -0.126 0.000 2.882 325 W HA 0.473 5.097 4.660 -0.061 0.000 0.345 325 W C -1.382 175.038 176.519 -0.165 0.000 1.125 325 W CA -0.484 56.777 57.345 -0.141 0.000 1.167 325 W CB 2.251 31.601 29.460 -0.184 0.000 1.431 325 W HN 0.350 nan 8.180 nan 0.000 0.543 326 D N 3.075 123.000 120.400 -0.792 0.000 2.421 326 D HA 0.077 4.690 4.640 -0.045 0.000 0.254 326 D C 0.488 176.503 176.300 -0.474 0.000 1.238 326 D CA -0.107 53.601 54.000 -0.487 0.000 0.919 326 D CB 1.789 42.342 40.800 -0.412 0.000 1.152 326 D HN 0.518 nan 8.370 nan 0.000 0.552 327 Q N 2.600 122.349 119.800 -0.084 0.000 2.172 327 Q HA -0.134 4.178 4.340 -0.045 0.000 0.200 327 Q C 1.592 177.623 176.000 0.051 0.000 0.964 327 Q CA 0.963 56.841 55.803 0.125 0.000 0.855 327 Q CB 0.351 29.187 28.738 0.164 0.000 0.918 327 Q HN 0.614 nan 8.270 nan 0.000 0.444 328 Q N 0.079 119.872 119.800 -0.012 0.000 2.061 328 Q HA -0.210 4.102 4.340 -0.045 0.000 0.204 328 Q C 2.060 178.045 176.000 -0.025 0.000 0.984 328 Q CA 1.483 57.283 55.803 -0.005 0.000 0.846 328 Q CB -0.045 28.682 28.738 -0.018 0.000 0.902 328 Q HN 0.416 nan 8.270 nan 0.000 0.421 329 L N -0.286 120.882 121.223 -0.091 0.000 2.131 329 L HA -0.008 4.305 4.340 -0.045 0.000 0.206 329 L C 1.528 178.335 176.870 -0.105 0.000 1.087 329 L CA 1.483 56.257 54.840 -0.110 0.000 0.767 329 L CB 0.180 42.136 42.059 -0.171 0.000 0.917 329 L HN 0.259 nan 8.230 nan 0.000 0.441 330 L N -1.652 119.488 121.223 -0.137 0.000 2.966 330 L HA 0.466 4.779 4.340 -0.045 0.000 0.262 330 L C 1.162 178.197 176.870 0.274 0.000 1.165 330 L CA 0.117 54.924 54.840 -0.054 0.000 0.978 330 L CB 0.084 41.864 42.059 -0.466 0.000 1.337 330 L HN 0.361 nan 8.230 nan 0.000 0.563 331 G N 0.687 109.660 108.800 0.289 0.000 2.528 331 G HA2 -0.337 3.595 3.960 -0.045 0.000 0.262 331 G HA3 -0.337 3.595 3.960 -0.045 0.000 0.262 331 G C -1.049 174.202 174.900 0.585 0.000 1.200 331 G CA 0.162 45.487 45.100 0.376 0.000 0.951 331 G HN 0.178 nan 8.290 nan 0.000 0.566 332 W N 3.232 124.671 121.300 0.231 0.000 2.162 332 W HA 0.539 5.168 4.660 -0.051 0.000 0.292 332 W C -2.007 174.528 176.519 0.027 0.000 0.998 332 W CA -1.901 55.489 57.345 0.076 0.000 1.570 332 W CB -0.260 29.213 29.460 0.022 0.000 1.644 332 W HN 0.689 nan 8.180 nan 0.000 0.360 333 P HA 0.249 nan 4.420 nan 0.000 0.272 333 P C 0.789 178.192 177.300 0.171 0.000 1.240 333 P CA 0.127 63.375 63.100 0.247 0.000 0.791 333 P CB 0.894 32.767 31.700 0.288 0.000 0.978 334 A N 1.359 124.234 122.820 0.093 0.000 1.978 334 A HA -0.142 4.151 4.320 -0.045 0.000 0.220 334 A C 2.079 179.677 177.584 0.023 0.000 1.170 334 A CA 1.731 53.783 52.037 0.025 0.000 0.636 334 A CB -1.329 17.674 19.000 0.005 0.000 0.810 334 A HN 0.415 nan 8.150 nan 0.000 0.448 335 V N -0.279 119.659 119.914 0.040 0.000 2.913 335 V HA 0.060 4.152 4.120 -0.045 0.000 0.260 335 V C 0.596 176.706 176.094 0.027 0.000 1.098 335 V CA 0.833 63.124 62.300 -0.016 0.000 1.121 335 V CB -0.408 31.413 31.823 -0.004 0.000 0.714 335 V HN 0.439 nan 8.190 nan 0.000 0.487 336 L N 0.762 122.013 121.223 0.046 0.000 2.262 336 L HA 0.430 4.743 4.340 -0.045 0.000 0.288 336 L C 1.316 178.318 176.870 0.220 0.000 1.035 336 L CA -0.199 54.663 54.840 0.036 0.000 0.820 336 L CB 1.114 42.983 42.059 -0.317 0.000 1.204 336 L HN 0.095 nan 8.230 nan 0.000 0.424 337 R N 1.630 122.225 120.500 0.157 0.000 2.200 337 R HA 0.118 4.431 4.340 -0.045 0.000 0.208 337 R C -0.063 176.379 176.300 0.238 0.000 1.033 337 R CA 0.692 56.892 56.100 0.167 0.000 1.000 337 R CB 0.263 30.606 30.300 0.071 0.000 0.906 337 R HN 0.512 nan 8.270 nan 0.000 0.462 338 K N 0.633 121.102 120.400 0.114 0.000 2.502 338 K HA 0.413 4.706 4.320 -0.045 0.000 0.257 338 K C -1.240 175.185 176.600 -0.291 0.000 0.938 338 K CA -0.598 55.688 56.287 -0.002 0.000 0.819 338 K CB 2.579 35.059 32.500 -0.033 0.000 1.333 338 K HN -0.126 nan 8.250 nan 0.000 0.434 339 L N 3.462 124.405 121.223 -0.468 0.000 2.294 339 L HA 0.458 4.771 4.340 -0.045 0.000 0.283 339 L C 0.893 177.581 176.870 -0.303 0.000 1.015 339 L CA -0.496 54.019 54.840 -0.541 0.000 0.831 339 L CB 1.230 42.816 42.059 -0.789 0.000 1.217 339 L HN 0.551 nan 8.230 nan 0.000 0.420 340 R N 2.571 122.934 120.500 -0.227 0.000 2.123 340 R HA 0.219 4.532 4.340 -0.045 0.000 0.209 340 R C -0.151 176.178 176.300 0.048 0.000 1.078 340 R CA 0.677 56.698 56.100 -0.132 0.000 1.028 340 R CB 0.582 30.725 30.300 -0.263 0.000 0.939 340 R HN 0.381 nan 8.270 nan 0.000 0.463 341 F N 1.930 121.784 119.950 -0.160 0.000 2.617 341 F HA 0.287 4.786 4.527 -0.046 0.000 0.325 341 F C -1.071 174.639 175.800 -0.150 0.000 1.179 341 F CA -0.758 57.087 58.000 -0.259 0.000 0.965 341 F CB 1.799 40.652 39.000 -0.244 0.000 1.232 341 F HN -0.118 nan 8.300 nan 0.000 0.461 342 T N 2.542 116.868 114.554 -0.380 0.000 2.906 342 T HA 0.794 5.117 4.350 -0.045 0.000 0.295 342 T C -0.268 174.206 174.700 -0.376 0.000 1.061 342 T CA -0.874 61.056 62.100 -0.282 0.000 1.000 342 T CB 1.720 70.514 68.868 -0.123 0.000 1.103 342 T HN 0.809 nan 8.240 nan 0.000 0.486 343 A N 1.848 124.487 122.820 -0.303 0.000 2.511 343 A HA 0.540 4.833 4.320 -0.045 0.000 0.242 343 A C 0.290 177.756 177.584 -0.196 0.000 1.069 343 A CA -0.492 51.375 52.037 -0.284 0.000 0.763 343 A CB -0.177 18.680 19.000 -0.239 0.000 1.001 343 A HN 0.881 nan 8.150 nan 0.000 0.498 344 V N 5.650 125.450 119.914 -0.190 0.000 2.406 344 V HA 0.242 4.335 4.120 -0.045 0.000 0.272 344 V C -1.975 174.080 176.094 -0.064 0.000 1.043 344 V CA -1.276 60.981 62.300 -0.072 0.000 0.915 344 V CB 1.002 32.851 31.823 0.044 0.000 0.988 344 V HN 0.813 nan 8.190 nan 0.000 0.466 345 P HA 0.132 nan 4.420 nan 0.000 0.264 345 P C -0.530 176.759 177.300 -0.018 0.000 1.183 345 P CA 0.307 63.388 63.100 -0.032 0.000 0.763 345 P CB 0.365 32.060 31.700 -0.008 0.000 0.807 346 K N 2.269 122.611 120.400 -0.096 0.000 2.375 346 K HA 0.314 4.607 4.320 -0.045 0.000 0.249 346 K C -0.429 176.097 176.600 -0.124 0.000 0.942 346 K CA -0.882 55.317 56.287 -0.147 0.000 0.806 346 K CB 1.845 34.082 32.500 -0.439 0.000 1.227 346 K HN 0.241 nan 8.250 nan 0.000 0.430 347 N N 2.128 120.786 118.700 -0.071 0.000 2.521 347 N HA 0.042 4.755 4.740 -0.045 0.000 0.236 347 N C 0.393 175.900 175.510 -0.006 0.000 1.067 347 N CA 0.348 53.399 53.050 0.002 0.000 0.939 347 N CB 0.187 38.676 38.487 0.003 0.000 1.201 347 N HN 0.544 nan 8.380 nan 0.000 0.511 348 H N 1.651 120.694 119.070 -0.045 0.000 2.289 348 H HA -0.192 4.337 4.556 -0.045 0.000 0.294 348 H C 1.586 176.867 175.328 -0.079 0.000 1.095 348 H CA 2.408 58.403 56.048 -0.088 0.000 1.256 348 H CB 0.093 29.772 29.762 -0.137 0.000 1.359 348 H HN 0.560 nan 8.280 nan 0.000 0.487 349 Q N 0.246 120.102 119.800 0.093 0.000 2.050 349 Q HA -0.106 4.207 4.340 -0.045 0.000 0.202 349 Q C 2.414 178.451 176.000 0.061 0.000 0.980 349 Q CA 1.629 57.470 55.803 0.064 0.000 0.840 349 Q CB -0.345 28.432 28.738 0.065 0.000 0.898 349 Q HN 0.490 nan 8.270 nan 0.000 0.424 350 A N -0.531 122.316 122.820 0.045 0.000 1.858 350 A HA -0.142 4.150 4.320 -0.045 0.000 0.216 350 A C 2.242 179.847 177.584 0.035 0.000 1.190 350 A CA 1.653 53.710 52.037 0.032 0.000 0.617 350 A CB -1.093 17.913 19.000 0.011 0.000 0.827 350 A HN 0.336 nan 8.150 nan 0.000 0.443 351 V N -0.357 119.567 119.914 0.016 0.000 2.970 351 V HA -0.083 4.010 4.120 -0.045 0.000 0.260 351 V C 2.238 178.440 176.094 0.180 0.000 1.100 351 V CA 1.736 64.044 62.300 0.014 0.000 1.122 351 V CB -0.681 31.068 31.823 -0.124 0.000 0.721 351 V HN 0.571 nan 8.190 nan 0.000 0.483 352 R N 0.148 120.759 120.500 0.185 0.000 2.300 352 R HA 0.199 4.511 4.340 -0.045 0.000 0.199 352 R C 0.084 176.521 176.300 0.229 0.000 0.920 352 R CA 0.066 56.320 56.100 0.257 0.000 1.046 352 R CB 0.166 30.523 30.300 0.095 0.000 0.984 352 R HN 0.487 nan 8.270 nan 0.000 0.493 353 N N 0.211 119.011 118.700 0.166 0.000 2.321 353 N HA 0.320 5.033 4.740 -0.045 0.000 0.290 353 N C -2.688 172.885 175.510 0.105 0.000 1.212 353 N CA -1.619 51.516 53.050 0.142 0.000 0.767 353 N CB 1.810 40.374 38.487 0.129 0.000 1.494 353 N HN -0.264 nan 8.380 nan 0.000 0.479 354 P HA 0.000 nan 4.420 nan 0.000 0.216 354 P CA 0.000 63.140 63.100 0.067 0.000 0.800 354 P CB 0.000 31.735 31.700 0.057 0.000 0.726