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 2z2y_1_C DATA FIRST_RESID 81 DATA SEQUENCE QPAQTIPWGI ERVKAPSVWS ITDGSVSVIQ VAVLDTGVDY DHPDLAANIA DATA SEQUENCE WcVSTLRGKV STKLRDcADQ NGHGTHVIGT IAALNNDIGV VGVAPGVQIY DATA SEQUENCE SVRVLDARGS GSYSDIAIGI EQAILGPDGV ADKDGDGIIA GDPDDDAAEV DATA SEQUENCE ISMSLGGPAD DSYLYDMIIQ AYNAGIVIVA ASGNEGAPSP SYPAAYPEVI DATA SEQUENCE AVGAIDSNDN IASFSNRQPE VSAPGVDILS TYPDDSYETL MGTCMATPHV DATA SEQUENCE SGVVALIQAA YYQKYGKILP VGTFDDISKN TVRGILHITA DDLGPTGWDA DATA SEQUENCE DYGYGVVRAA LAVQAALG 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 81 Q HA 0.000 nan 4.340 nan 0.000 0.214 81 Q C 0.000 176.028 176.000 0.046 0.000 1.003 81 Q CA 0.000 55.857 55.803 0.090 0.000 1.022 81 Q CB 0.000 28.793 28.738 0.091 0.000 1.108 82 P HA 0.522 nan 4.420 nan 0.000 0.276 82 P C -0.687 176.574 177.300 -0.064 0.000 1.244 82 P CA -0.469 62.602 63.100 -0.048 0.000 0.801 82 P CB 0.504 32.131 31.700 -0.122 0.000 1.006 83 A N 1.538 124.331 122.820 -0.046 0.000 2.520 83 A HA 0.037 4.357 4.320 0.000 0.000 0.235 83 A C 0.574 178.119 177.584 -0.066 0.000 1.065 83 A CA -0.198 51.817 52.037 -0.037 0.000 0.764 83 A CB -0.363 18.625 19.000 -0.020 0.000 1.002 83 A HN 0.686 nan 8.150 nan 0.000 0.502 84 Q N 0.681 120.452 119.800 -0.047 0.000 2.300 84 Q HA 0.295 4.635 4.340 0.000 0.000 0.280 84 Q C 0.212 176.189 176.000 -0.037 0.000 1.033 84 Q CA 0.747 56.518 55.803 -0.055 0.000 0.903 84 Q CB 0.348 29.074 28.738 -0.020 0.000 1.195 84 Q HN 0.848 nan 8.270 nan 0.000 0.386 85 T N 1.149 115.673 114.554 -0.051 0.000 2.912 85 T HA 0.582 4.932 4.350 0.000 0.000 0.288 85 T C -0.062 174.649 174.700 0.019 0.000 1.030 85 T CA -0.899 61.196 62.100 -0.009 0.000 1.020 85 T CB 0.836 69.696 68.868 -0.014 0.000 1.056 85 T HN 0.528 nan 8.240 nan 0.000 0.480 86 I N 3.140 123.744 120.570 0.056 0.000 2.291 86 I HA 0.297 4.467 4.170 0.000 0.000 0.292 86 I C -2.118 174.048 176.117 0.083 0.000 1.064 86 I CA -2.227 59.124 61.300 0.085 0.000 1.269 86 I CB 0.750 38.816 38.000 0.109 0.000 1.418 86 I HN 0.452 nan 8.210 nan 0.000 0.485 87 P HA -0.090 nan 4.420 nan 0.000 0.267 87 P C 0.932 178.279 177.300 0.079 0.000 1.200 87 P CA -0.309 62.835 63.100 0.073 0.000 0.772 87 P CB 0.353 32.057 31.700 0.006 0.000 0.855 88 W N 2.319 123.659 121.300 0.067 0.000 2.325 88 W HA -0.150 4.510 4.660 -0.000 0.000 0.299 88 W C 1.216 177.773 176.519 0.063 0.000 1.215 88 W CA 1.525 58.901 57.345 0.052 0.000 1.244 88 W CB -2.031 27.450 29.460 0.035 0.000 1.140 88 W HN 0.411 nan 8.180 nan 0.000 0.523 89 G N 1.917 110.181 108.800 -0.892 0.000 2.422 89 G HA2 -0.181 3.779 3.960 0.000 0.000 0.218 89 G HA3 -0.181 3.779 3.960 0.000 0.000 0.218 89 G C 1.493 176.259 174.900 -0.225 0.000 1.140 89 G CA 1.253 45.778 45.100 -0.959 0.000 0.775 89 G HN 0.145 nan 8.290 nan 0.000 0.545 90 I N 1.244 121.790 120.570 -0.039 0.000 2.226 90 I HA -0.095 4.075 4.170 0.000 0.000 0.245 90 I C 2.532 178.654 176.117 0.008 0.000 1.100 90 I CA 1.411 62.746 61.300 0.059 0.000 1.374 90 I CB -0.905 37.149 38.000 0.091 0.000 1.057 90 I HN 0.241 nan 8.210 nan 0.000 0.413 91 E N 1.471 121.674 120.200 0.006 0.000 2.107 91 E HA -0.231 4.120 4.350 0.000 0.000 0.191 91 E C 2.239 178.844 176.600 0.009 0.000 0.982 91 E CA 1.091 57.487 56.400 -0.005 0.000 0.809 91 E CB -0.201 29.523 29.700 0.040 0.000 0.756 91 E HN 0.164 nan 8.360 nan 0.000 0.459 92 R N 0.321 120.844 120.500 0.038 0.000 2.105 92 R HA -0.087 4.253 4.340 0.000 0.000 0.239 92 R C 2.036 178.338 176.300 0.004 0.000 1.135 92 R CA 1.739 57.874 56.100 0.060 0.000 0.967 92 R CB -0.779 29.584 30.300 0.104 0.000 0.861 92 R HN 0.267 nan 8.270 nan 0.000 0.442 93 V N -1.919 117.981 119.914 -0.024 0.000 3.646 93 V HA 0.249 4.370 4.120 0.000 0.000 0.277 93 V C -0.186 175.897 176.094 -0.018 0.000 1.274 93 V CA -0.062 62.235 62.300 -0.006 0.000 1.164 93 V CB -0.461 31.381 31.823 0.032 0.000 0.926 93 V HN 0.244 nan 8.190 nan 0.000 0.442 94 K N -0.373 119.998 120.400 -0.049 0.000 3.125 94 K HA -0.229 4.091 4.320 0.000 0.000 0.268 94 K C 0.995 177.496 176.600 -0.165 0.000 1.078 94 K CA 0.973 57.203 56.287 -0.095 0.000 0.775 94 K CB -2.169 30.293 32.500 -0.063 0.000 1.253 94 K HN 0.868 nan 8.250 nan 0.000 0.486 95 A N -0.182 122.513 122.820 -0.208 0.000 1.903 95 A HA 0.057 4.378 4.320 0.000 0.000 0.213 95 A C -0.567 176.430 177.584 -0.978 0.000 1.185 95 A CA 0.881 52.726 52.037 -0.321 0.000 0.628 95 A CB -0.505 18.473 19.000 -0.037 0.000 0.830 95 A HN 0.269 nan 8.150 nan 0.000 0.446 96 P HA -0.181 nan 4.420 nan 0.000 0.216 96 P C 1.712 178.428 177.300 -0.973 0.000 1.150 96 P CA 2.087 64.161 63.100 -1.711 0.000 0.843 96 P CB -0.140 31.062 31.700 -0.831 0.000 0.787 97 S N -1.907 113.475 115.700 -0.530 0.000 2.555 97 S HA -0.041 4.429 4.470 0.000 0.000 0.230 97 S C 1.739 176.219 174.600 -0.201 0.000 0.978 97 S CA 0.632 58.668 58.200 -0.273 0.000 0.934 97 S CB -1.364 61.734 63.200 -0.170 0.000 0.766 97 S HN -0.038 nan 8.310 nan 0.000 0.533 98 V N -0.023 119.725 119.914 -0.278 0.000 2.788 98 V HA 0.010 4.130 4.120 0.000 0.000 0.251 98 V C 2.087 178.227 176.094 0.076 0.000 1.068 98 V CA 0.749 62.999 62.300 -0.084 0.000 1.090 98 V CB -0.905 30.895 31.823 -0.037 0.000 0.710 98 V HN 0.606 nan 8.190 nan 0.000 0.467 99 W N 0.930 122.235 121.300 0.008 0.000 2.392 99 W HA -0.121 4.539 4.660 0.000 0.000 0.279 99 W C 2.818 179.340 176.519 0.004 0.000 1.225 99 W CA 1.290 58.638 57.345 0.006 0.000 1.233 99 W CB -1.516 27.947 29.460 0.004 0.000 1.122 99 W HN 0.527 nan 8.180 nan 0.000 0.561 100 S N -0.074 115.740 115.700 0.190 0.000 2.419 100 S HA -0.154 4.316 4.470 0.000 0.000 0.233 100 S C 1.718 176.367 174.600 0.082 0.000 1.016 100 S CA 1.262 59.528 58.200 0.110 0.000 0.974 100 S CB -0.695 62.543 63.200 0.064 0.000 0.786 100 S HN 0.243 nan 8.310 nan 0.000 0.492 101 I N 0.223 120.844 120.570 0.084 0.000 2.385 101 I HA 0.154 4.324 4.170 0.000 0.000 0.244 101 I C 1.194 177.358 176.117 0.078 0.000 1.089 101 I CA 0.822 62.158 61.300 0.060 0.000 1.410 101 I CB 0.060 38.087 38.000 0.045 0.000 1.117 101 I HN 0.308 nan 8.210 nan 0.000 0.429 102 T N -0.078 114.551 114.554 0.125 0.000 3.012 102 T HA 0.159 4.510 4.350 0.000 0.000 0.330 102 T C -1.094 173.722 174.700 0.193 0.000 1.321 102 T CA -0.710 61.463 62.100 0.122 0.000 1.067 102 T CB 1.310 70.235 68.868 0.095 0.000 1.235 102 T HN 0.314 nan 8.240 nan 0.000 0.479 103 D N 1.544 121.993 120.400 0.082 0.000 2.363 103 D HA 0.298 4.939 4.640 0.000 0.000 0.214 103 D C 1.454 177.726 176.300 -0.047 0.000 1.093 103 D CA 0.631 54.599 54.000 -0.054 0.000 0.837 103 D CB -0.098 40.528 40.800 -0.290 0.000 0.948 103 D HN 1.122 nan 8.370 nan 0.000 0.507 104 G N 0.618 109.429 108.800 0.018 0.000 2.176 104 G HA2 -0.310 3.650 3.960 0.000 0.000 0.232 104 G HA3 -0.310 3.650 3.960 0.000 0.000 0.232 104 G C 0.768 175.655 174.900 -0.021 0.000 0.986 104 G CA 0.317 45.420 45.100 0.005 0.000 0.643 104 G HN 0.701 nan 8.290 nan 0.000 0.522 105 S N -0.010 115.673 115.700 -0.027 0.000 2.967 105 S HA 0.519 4.989 4.470 0.000 0.000 0.254 105 S C 0.544 175.136 174.600 -0.013 0.000 1.089 105 S CA 0.221 58.402 58.200 -0.031 0.000 1.183 105 S CB 0.519 63.696 63.200 -0.038 0.000 0.848 105 S HN 0.812 nan 8.310 nan 0.000 0.477 106 V N 3.156 123.065 119.914 -0.008 0.000 2.461 106 V HA 0.200 4.320 4.120 0.000 0.000 0.275 106 V C 1.584 177.644 176.094 -0.057 0.000 1.047 106 V CA 0.072 62.372 62.300 0.001 0.000 0.955 106 V CB 0.970 32.821 31.823 0.045 0.000 0.988 106 V HN 0.744 nan 8.190 nan 0.000 0.471 107 S N 3.933 119.602 115.700 -0.051 0.000 2.447 107 S HA -0.117 4.353 4.470 0.000 0.000 0.233 107 S C 1.644 176.172 174.600 -0.120 0.000 1.006 107 S CA 1.392 59.553 58.200 -0.066 0.000 0.957 107 S CB -0.119 63.061 63.200 -0.032 0.000 0.773 107 S HN 0.596 nan 8.310 nan 0.000 0.507 108 V N 1.286 121.066 119.914 -0.223 0.000 3.217 108 V HA 0.210 4.330 4.120 0.000 0.000 0.264 108 V C 0.216 176.163 176.094 -0.246 0.000 1.135 108 V CA 0.563 62.685 62.300 -0.297 0.000 1.142 108 V CB -0.495 30.962 31.823 -0.609 0.000 0.754 108 V HN 0.428 nan 8.190 nan 0.000 0.484 109 I N 1.555 122.002 120.570 -0.205 0.000 2.325 109 I HA 0.479 4.649 4.170 0.000 0.000 0.291 109 I C -0.199 175.816 176.117 -0.171 0.000 1.019 109 I CA 0.048 61.252 61.300 -0.161 0.000 1.302 109 I CB 0.844 38.781 38.000 -0.107 0.000 1.401 109 I HN 0.330 nan 8.210 nan 0.000 0.485 110 Q N 4.358 124.024 119.800 -0.222 0.000 2.394 110 Q HA 0.623 4.964 4.340 0.000 0.000 0.273 110 Q C -0.970 174.870 176.000 -0.267 0.000 1.089 110 Q CA -0.620 54.972 55.803 -0.352 0.000 0.812 110 Q CB 3.152 31.423 28.738 -0.779 0.000 1.353 110 Q HN 0.392 nan 8.270 nan 0.000 0.438 111 V N 1.306 121.085 119.914 -0.225 0.000 2.384 111 V HA 0.786 4.907 4.120 0.000 0.000 0.287 111 V C -0.626 175.427 176.094 -0.070 0.000 1.020 111 V CA -0.838 61.397 62.300 -0.107 0.000 0.850 111 V CB 1.383 33.174 31.823 -0.052 0.000 0.987 111 V HN 0.850 nan 8.190 nan 0.000 0.436 112 A N 5.080 127.908 122.820 0.014 0.000 2.301 112 A HA 0.753 5.073 4.320 0.000 0.000 0.298 112 A C -0.497 177.141 177.584 0.090 0.000 1.185 112 A CA -0.394 51.718 52.037 0.126 0.000 0.830 112 A CB 0.936 20.062 19.000 0.211 0.000 1.112 112 A HN 0.677 nan 8.150 nan 0.000 0.508 113 V N 4.185 124.151 119.914 0.086 0.000 2.334 113 V HA 0.256 4.376 4.120 0.000 0.000 0.281 113 V C -0.773 175.355 176.094 0.056 0.000 1.016 113 V CA -0.335 62.006 62.300 0.067 0.000 0.832 113 V CB 1.040 32.898 31.823 0.058 0.000 0.999 113 V HN 0.710 nan 8.190 nan 0.000 0.439 114 L N 5.758 127.015 121.223 0.056 0.000 2.259 114 L HA 0.618 4.958 4.340 0.000 0.000 0.288 114 L C 0.140 177.034 176.870 0.040 0.000 1.051 114 L CA 0.882 55.744 54.840 0.037 0.000 0.824 114 L CB 0.409 42.492 42.059 0.040 0.000 1.206 114 L HN 0.714 nan 8.230 nan 0.000 0.429 115 D N -0.181 120.236 120.400 0.029 0.000 3.557 115 D HA 0.136 4.776 4.640 0.000 0.000 0.331 115 D C 0.629 176.938 176.300 0.016 0.000 1.442 115 D CA 0.401 54.425 54.000 0.041 0.000 0.971 115 D CB 1.392 42.254 40.800 0.103 0.000 1.423 115 D HN 0.308 nan 8.370 nan 0.000 0.604 116 T N -1.001 113.570 114.554 0.027 0.000 3.148 116 T HA 0.496 4.847 4.350 0.000 0.000 0.253 116 T C 1.049 175.750 174.700 0.001 0.000 1.134 116 T CA 1.009 63.112 62.100 0.006 0.000 1.051 116 T CB -0.159 68.716 68.868 0.012 0.000 0.959 116 T HN 0.847 nan 8.240 nan 0.000 0.525 117 G N -0.043 108.761 108.800 0.005 0.000 2.466 117 G HA2 0.157 4.117 3.960 0.000 0.000 0.316 117 G HA3 0.157 4.117 3.960 0.000 0.000 0.316 117 G C -1.187 173.721 174.900 0.013 0.000 1.270 117 G CA -0.466 44.635 45.100 0.002 0.000 0.982 117 G HN 0.983 nan 8.290 nan 0.000 0.506 118 V N -0.162 119.770 119.914 0.030 0.000 2.971 118 V HA 0.630 4.750 4.120 0.000 0.000 0.309 118 V C -0.900 175.211 176.094 0.028 0.000 1.130 118 V CA -0.103 62.213 62.300 0.028 0.000 0.964 118 V CB 1.964 33.818 31.823 0.052 0.000 1.029 118 V HN 1.079 nan 8.190 nan 0.000 0.427 119 D N 4.320 124.695 120.400 -0.042 0.000 2.441 119 D HA 0.055 4.695 4.640 0.000 0.000 0.243 119 D C 0.997 177.223 176.300 -0.122 0.000 1.257 119 D CA 0.189 54.110 54.000 -0.131 0.000 1.027 119 D CB 0.110 40.860 40.800 -0.084 0.000 1.084 119 D HN 0.645 nan 8.370 nan 0.000 0.514 120 Y N 1.203 121.511 120.300 0.012 0.000 2.403 120 Y HA -0.102 4.448 4.550 0.000 0.000 0.291 120 Y C 1.220 177.140 175.900 0.035 0.000 1.143 120 Y CA 1.022 59.134 58.100 0.021 0.000 1.257 120 Y CB -0.295 38.172 38.460 0.012 0.000 0.984 120 Y HN 0.171 nan 8.280 nan 0.000 0.550 121 D N -0.892 119.360 120.400 -0.247 0.000 2.424 121 D HA 0.007 4.648 4.640 0.000 0.000 0.220 121 D C -0.388 175.877 176.300 -0.058 0.000 1.150 121 D CA -0.491 53.468 54.000 -0.068 0.000 0.831 121 D CB -1.438 39.300 40.800 -0.104 0.000 0.981 121 D HN 0.573 nan 8.370 nan 0.000 0.500 122 H N 1.768 120.755 119.070 -0.138 0.000 3.070 122 H HA 0.049 4.606 4.556 0.000 0.000 0.313 122 H C -1.170 174.124 175.328 -0.057 0.000 0.997 122 H CA -0.934 55.043 56.048 -0.119 0.000 1.438 122 H CB 1.243 30.922 29.762 -0.138 0.000 1.455 122 H HN -0.128 nan 8.280 nan 0.000 0.575 123 P HA -0.157 nan 4.420 nan 0.000 0.221 123 P C 0.582 177.997 177.300 0.191 0.000 1.145 123 P CA 1.138 64.296 63.100 0.096 0.000 0.795 123 P CB 0.404 32.120 31.700 0.027 0.000 0.775 124 D N -1.587 119.051 120.400 0.395 0.000 2.339 124 D HA 0.118 4.758 4.640 0.000 0.000 0.217 124 D C 1.626 177.957 176.300 0.050 0.000 1.050 124 D CA 0.323 54.452 54.000 0.216 0.000 0.856 124 D CB -0.061 40.914 40.800 0.292 0.000 0.922 124 D HN 0.139 nan 8.370 nan 0.000 0.518 125 L N -1.118 120.137 121.223 0.054 0.000 2.694 125 L HA 0.338 4.678 4.340 0.000 0.000 0.228 125 L C 2.269 179.162 176.870 0.037 0.000 1.048 125 L CA 0.392 55.227 54.840 -0.009 0.000 0.887 125 L CB -0.215 41.805 42.059 -0.065 0.000 1.265 125 L HN -0.112 nan 8.230 nan 0.000 0.492 126 A N 1.083 123.946 122.820 0.072 0.000 1.892 126 A HA -0.255 4.065 4.320 0.000 0.000 0.218 126 A C 2.395 180.020 177.584 0.068 0.000 1.188 126 A CA 2.237 54.324 52.037 0.084 0.000 0.631 126 A CB -0.696 18.356 19.000 0.087 0.000 0.822 126 A HN 0.376 nan 8.150 nan 0.000 0.447 127 A N -0.641 122.207 122.820 0.047 0.000 2.070 127 A HA -0.127 4.193 4.320 0.000 0.000 0.220 127 A C 1.682 179.282 177.584 0.027 0.000 1.159 127 A CA 1.634 53.691 52.037 0.033 0.000 0.656 127 A CB -0.454 18.556 19.000 0.017 0.000 0.800 127 A HN 0.538 nan 8.150 nan 0.000 0.453 128 N N -0.163 118.550 118.700 0.022 0.000 2.353 128 N HA 0.098 4.838 4.740 0.000 0.000 0.185 128 N C -0.145 175.395 175.510 0.050 0.000 1.098 128 N CA 0.176 53.235 53.050 0.015 0.000 0.872 128 N CB 0.208 38.685 38.487 -0.016 0.000 0.970 128 N HN 0.266 nan 8.380 nan 0.000 0.467 129 I N 1.494 122.111 120.570 0.078 0.000 2.329 129 I HA 0.110 4.280 4.170 0.000 0.000 0.295 129 I C 1.326 177.539 176.117 0.160 0.000 1.109 129 I CA -0.328 61.047 61.300 0.124 0.000 1.297 129 I CB -0.032 38.048 38.000 0.133 0.000 1.433 129 I HN -0.061 nan 8.210 nan 0.000 0.509 130 A N 6.200 129.154 122.820 0.224 0.000 2.021 130 A HA 0.000 4.320 4.320 0.000 0.000 0.216 130 A C 0.452 178.257 177.584 0.368 0.000 1.163 130 A CA 0.515 52.715 52.037 0.272 0.000 0.676 130 A CB 0.195 19.380 19.000 0.309 0.000 0.818 130 A HN 0.681 nan 8.150 nan 0.000 0.453 131 W N -1.792 119.605 121.300 0.162 0.000 3.439 131 W HA 0.487 5.147 4.660 0.000 0.000 0.323 131 W C -1.817 174.714 176.519 0.021 0.000 1.174 131 W CA -1.581 55.762 57.345 -0.003 0.000 1.224 131 W CB 0.985 30.278 29.460 -0.278 0.000 1.348 131 W HN -0.005 nan 8.180 nan 0.000 0.498 132 c N 8.511 127.105 118.600 -0.011 0.000 2.321 132 c HA 0.832 5.402 4.570 0.000 0.000 0.323 132 c C -0.526 173.343 174.090 -0.369 0.000 1.191 132 c CA -0.252 55.986 56.329 -0.152 0.000 1.455 132 c CB -1.065 41.409 42.510 -0.060 0.000 2.083 132 c HN 0.424 nan 8.230 nan 0.000 0.442 133 V N 3.736 123.315 119.914 -0.557 0.000 3.001 133 V HA 0.877 4.997 4.120 0.000 0.000 0.314 133 V C -0.179 175.709 176.094 -0.343 0.000 1.099 133 V CA -0.480 61.474 62.300 -0.577 0.000 0.989 133 V CB 1.710 32.933 31.823 -1.000 0.000 1.040 133 V HN 0.725 nan 8.190 nan 0.000 0.434 134 S N 0.275 115.831 115.700 -0.240 0.000 2.526 134 S HA 0.658 5.128 4.470 0.000 0.000 0.293 134 S C 0.445 174.971 174.600 -0.122 0.000 1.092 134 S CA 0.254 58.365 58.200 -0.148 0.000 0.980 134 S CB 1.922 65.066 63.200 -0.093 0.000 1.048 134 S HN 1.336 nan 8.310 nan 0.000 0.483 135 T N 2.154 116.656 114.554 -0.086 0.000 3.132 135 T HA 0.371 4.721 4.350 0.000 0.000 0.274 135 T C 0.452 175.140 174.700 -0.020 0.000 1.011 135 T CA -0.324 61.747 62.100 -0.048 0.000 0.899 135 T CB -0.549 68.299 68.868 -0.033 0.000 1.089 135 T HN 0.506 nan 8.240 nan 0.000 0.543 136 L N 2.352 123.561 121.223 -0.023 0.000 2.525 136 L HA 0.229 4.569 4.340 0.000 0.000 0.278 136 L C 0.712 177.580 176.870 -0.004 0.000 1.218 136 L CA -0.304 54.531 54.840 -0.008 0.000 0.878 136 L CB 0.077 42.129 42.059 -0.012 0.000 1.127 136 L HN 0.334 nan 8.230 nan 0.000 0.492 137 R N 1.865 122.368 120.500 0.005 0.000 3.863 137 R HA -0.215 4.125 4.340 0.000 0.000 0.313 137 R C 0.899 177.202 176.300 0.004 0.000 1.202 137 R CA 0.868 56.971 56.100 0.006 0.000 0.852 137 R CB -2.756 27.544 30.300 0.001 0.000 1.292 137 R HN 1.190 nan 8.270 nan 0.000 0.519 138 G N -0.374 108.430 108.800 0.008 0.000 2.143 138 G HA2 -0.363 3.598 3.960 0.000 0.000 0.248 138 G HA3 -0.363 3.598 3.960 0.000 0.000 0.248 138 G C -0.065 174.836 174.900 0.001 0.000 0.991 138 G CA 0.775 45.880 45.100 0.007 0.000 0.689 138 G HN 0.410 nan 8.290 nan 0.000 0.522 139 K N 0.435 120.833 120.400 -0.003 0.000 2.265 139 K HA 0.518 4.839 4.320 0.000 0.000 0.267 139 K C 0.164 176.758 176.600 -0.011 0.000 0.994 139 K CA -0.790 55.494 56.287 -0.005 0.000 0.860 139 K CB 2.516 35.012 32.500 -0.008 0.000 1.099 139 K HN 0.026 nan 8.250 nan 0.000 0.448 140 V N 2.581 122.494 119.914 -0.002 0.000 2.439 140 V HA 0.085 4.206 4.120 0.000 0.000 0.271 140 V C 0.226 176.315 176.094 -0.008 0.000 1.040 140 V CA -0.008 62.288 62.300 -0.007 0.000 1.002 140 V CB 0.863 32.705 31.823 0.031 0.000 1.000 140 V HN 0.732 nan 8.190 nan 0.000 0.477 141 S N 3.072 118.748 115.700 -0.040 0.000 2.538 141 S HA 0.521 4.992 4.470 0.000 0.000 0.288 141 S C 0.548 175.108 174.600 -0.066 0.000 1.108 141 S CA 0.021 58.199 58.200 -0.037 0.000 0.971 141 S CB 1.973 65.150 63.200 -0.038 0.000 1.041 141 S HN 0.911 nan 8.310 nan 0.000 0.483 142 T N 0.757 115.290 114.554 -0.035 0.000 3.134 142 T HA 0.347 4.697 4.350 0.000 0.000 0.260 142 T C 0.100 174.754 174.700 -0.077 0.000 1.027 142 T CA -0.374 61.693 62.100 -0.054 0.000 0.913 142 T CB -0.326 68.562 68.868 0.034 0.000 1.046 142 T HN 0.560 nan 8.240 nan 0.000 0.553 143 K N 1.510 121.871 120.400 -0.064 0.000 2.484 143 K HA 0.214 4.534 4.320 0.000 0.000 0.280 143 K C 0.992 177.531 176.600 -0.102 0.000 1.013 143 K CA -0.260 55.985 56.287 -0.071 0.000 1.029 143 K CB 0.842 33.316 32.500 -0.043 0.000 0.902 143 K HN 0.162 nan 8.250 nan 0.000 0.481 144 L N 3.070 124.206 121.223 -0.145 0.000 2.081 144 L HA -0.256 4.084 4.340 0.000 0.000 0.212 144 L C 2.555 179.409 176.870 -0.028 0.000 1.080 144 L CA 1.557 56.274 54.840 -0.206 0.000 0.754 144 L CB -0.565 41.316 42.059 -0.297 0.000 0.893 144 L HN 0.691 nan 8.230 nan 0.000 0.433 145 R N -0.492 120.004 120.500 -0.005 0.000 2.189 145 R HA -0.123 4.218 4.340 0.000 0.000 0.223 145 R C 1.130 177.435 176.300 0.009 0.000 1.092 145 R CA 1.437 57.551 56.100 0.023 0.000 0.989 145 R CB -0.380 29.928 30.300 0.014 0.000 0.876 145 R HN 0.331 nan 8.270 nan 0.000 0.457 146 D N 1.110 121.501 120.400 -0.015 0.000 2.162 146 D HA -0.062 4.578 4.640 0.000 0.000 0.205 146 D C 1.998 178.281 176.300 -0.028 0.000 0.964 146 D CA 1.375 55.361 54.000 -0.024 0.000 0.847 146 D CB -0.100 40.677 40.800 -0.038 0.000 0.988 146 D HN 0.472 nan 8.370 nan 0.000 0.480 147 c N 0.693 119.270 118.600 -0.038 0.000 2.563 147 c HA 0.640 5.211 4.570 0.000 0.000 0.268 147 c C 1.319 175.429 174.090 0.032 0.000 1.365 147 c CA -0.553 55.750 56.329 -0.043 0.000 1.754 147 c CB -0.881 41.567 42.510 -0.104 0.000 1.932 147 c HN 0.098 nan 8.230 nan 0.000 0.536 148 A N 1.834 124.714 122.820 0.099 0.000 2.425 148 A HA 0.408 4.728 4.320 0.000 0.000 0.249 148 A C -0.131 177.485 177.584 0.054 0.000 1.084 148 A CA 0.113 52.253 52.037 0.171 0.000 0.781 148 A CB 0.033 19.191 19.000 0.264 0.000 1.019 148 A HN 0.564 nan 8.150 nan 0.000 0.490 149 D N 1.074 121.485 120.400 0.018 0.000 2.383 149 D HA 0.145 4.786 4.640 0.000 0.000 0.252 149 D C 0.696 176.964 176.300 -0.053 0.000 1.166 149 D CA 0.514 54.498 54.000 -0.028 0.000 0.879 149 D CB 0.732 41.496 40.800 -0.061 0.000 1.164 149 D HN 0.547 nan 8.370 nan 0.000 0.462 150 Q N 2.488 122.261 119.800 -0.044 0.000 2.217 150 Q HA 0.071 4.411 4.340 0.000 0.000 0.217 150 Q C 0.937 176.902 176.000 -0.058 0.000 0.844 150 Q CA -0.216 55.559 55.803 -0.048 0.000 0.957 150 Q CB 0.721 29.445 28.738 -0.024 0.000 1.127 150 Q HN 0.458 nan 8.270 nan 0.000 0.503 151 N N -0.382 118.279 118.700 -0.066 0.000 2.591 151 N HA -0.014 4.726 4.740 0.000 0.000 0.200 151 N C 1.200 176.628 175.510 -0.137 0.000 1.040 151 N CA 1.579 54.601 53.050 -0.047 0.000 0.911 151 N CB 1.129 39.616 38.487 -0.001 0.000 1.259 151 N HN 0.242 nan 8.380 nan 0.000 0.438 152 G N 0.215 108.887 108.800 -0.213 0.000 2.352 152 G HA2 -0.219 3.741 3.960 0.000 0.000 0.204 152 G HA3 -0.219 3.741 3.960 0.000 0.000 0.204 152 G C 0.921 175.767 174.900 -0.090 0.000 1.004 152 G CA 0.405 45.175 45.100 -0.549 0.000 0.648 152 G HN 0.515 nan 8.290 nan 0.000 0.491 153 H N 1.391 120.460 119.070 -0.001 0.000 2.321 153 H HA -0.062 4.494 4.556 0.000 0.000 0.300 153 H C 2.727 178.103 175.328 0.080 0.000 1.087 153 H CA 2.752 58.848 56.048 0.081 0.000 1.319 153 H CB -0.549 29.238 29.762 0.041 0.000 1.379 153 H HN 0.435 nan 8.280 nan 0.000 0.501 154 G N -0.636 108.282 108.800 0.197 0.000 2.418 154 G HA2 -0.231 3.730 3.960 0.000 0.000 0.217 154 G HA3 -0.231 3.730 3.960 0.000 0.000 0.217 154 G C 1.815 176.750 174.900 0.060 0.000 1.158 154 G CA 1.204 46.378 45.100 0.123 0.000 0.771 154 G HN 0.401 nan 8.290 nan 0.000 0.545 155 T N -0.230 114.335 114.554 0.019 0.000 2.720 155 T HA -0.144 4.206 4.350 0.000 0.000 0.268 155 T C 2.030 176.738 174.700 0.014 0.000 1.037 155 T CA 1.315 63.401 62.100 -0.023 0.000 1.144 155 T CB -0.383 68.431 68.868 -0.090 0.000 0.864 155 T HN 0.391 nan 8.240 nan 0.000 0.444 156 H N 0.533 119.607 119.070 0.007 0.000 2.326 156 H HA -0.006 4.551 4.556 0.001 0.000 0.301 156 H C 2.320 177.619 175.328 -0.048 0.000 1.081 156 H CA 1.348 57.413 56.048 0.028 0.000 1.334 156 H CB -0.335 29.485 29.762 0.096 0.000 1.385 156 H HN 0.149 nan 8.280 nan 0.000 0.504 157 V N 1.353 121.326 119.914 0.099 0.000 2.287 157 V HA -0.268 3.852 4.120 0.000 0.000 0.248 157 V C 2.874 178.954 176.094 -0.023 0.000 1.053 157 V CA 1.889 64.209 62.300 0.034 0.000 1.027 157 V CB -0.566 31.294 31.823 0.063 0.000 0.646 157 V HN 0.331 nan 8.190 nan 0.000 0.447 158 I N 0.620 121.178 120.570 -0.019 0.000 2.264 158 I HA -0.198 3.972 4.170 0.000 0.000 0.248 158 I C 2.509 178.571 176.117 -0.091 0.000 1.111 158 I CA 1.745 63.020 61.300 -0.041 0.000 1.382 158 I CB -0.781 37.204 38.000 -0.024 0.000 1.060 158 I HN 0.415 nan 8.210 nan 0.000 0.418 159 G N -0.473 108.246 108.800 -0.136 0.000 2.443 159 G HA2 -0.185 3.775 3.960 0.000 0.000 0.219 159 G HA3 -0.185 3.775 3.960 0.000 0.000 0.219 159 G C 1.648 176.442 174.900 -0.176 0.000 1.131 159 G CA 1.194 46.190 45.100 -0.175 0.000 0.775 159 G HN 0.278 nan 8.290 nan 0.000 0.547 160 T N 1.147 115.576 114.554 -0.209 0.000 2.857 160 T HA 0.027 4.377 4.350 0.000 0.000 0.266 160 T C 2.386 176.954 174.700 -0.221 0.000 1.048 160 T CA 0.669 62.605 62.100 -0.274 0.000 1.139 160 T CB -0.079 68.573 68.868 -0.359 0.000 0.874 160 T HN 0.267 nan 8.240 nan 0.000 0.455 161 I N 0.804 121.286 120.570 -0.147 0.000 2.202 161 I HA -0.031 4.139 4.170 0.000 0.000 0.242 161 I C 2.051 178.124 176.117 -0.075 0.000 1.091 161 I CA 1.248 62.495 61.300 -0.089 0.000 1.368 161 I CB -0.074 37.894 38.000 -0.053 0.000 1.058 161 I HN 0.175 nan 8.210 nan 0.000 0.410 162 A N -0.000 122.767 122.820 -0.088 0.000 2.596 162 A HA 0.646 4.967 4.320 0.000 0.000 0.276 162 A C 0.562 178.085 177.584 -0.101 0.000 0.962 162 A CA -0.143 51.840 52.037 -0.090 0.000 1.010 162 A CB -0.265 18.694 19.000 -0.068 0.000 1.220 162 A HN 0.151 nan 8.150 nan 0.000 0.549 163 A N 0.536 123.292 122.820 -0.107 0.000 2.540 163 A HA 0.476 4.796 4.320 0.000 0.000 0.239 163 A C 0.342 177.864 177.584 -0.104 0.000 1.061 163 A CA 0.179 52.160 52.037 -0.093 0.000 0.758 163 A CB -0.261 18.697 19.000 -0.071 0.000 0.991 163 A HN 0.595 nan 8.150 nan 0.000 0.502 164 L N 2.025 123.202 121.223 -0.076 0.000 2.456 164 L HA 0.038 4.378 4.340 0.000 0.000 0.272 164 L C 0.881 177.680 176.870 -0.119 0.000 1.189 164 L CA -0.232 54.549 54.840 -0.097 0.000 0.846 164 L CB 0.174 42.206 42.059 -0.045 0.000 1.111 164 L HN 0.774 nan 8.230 nan 0.000 0.475 165 N N 2.924 121.510 118.700 -0.191 0.000 2.415 165 N HA 0.165 4.906 4.740 0.000 0.000 0.246 165 N C -0.789 174.665 175.510 -0.093 0.000 1.078 165 N CA -0.165 52.775 53.050 -0.184 0.000 0.942 165 N CB -0.034 38.248 38.487 -0.342 0.000 1.140 165 N HN 0.758 nan 8.380 nan 0.000 0.501 166 N N 1.357 120.030 118.700 -0.045 0.000 3.667 166 N HA 0.262 5.002 4.740 0.000 0.000 0.347 166 N C -0.634 174.874 175.510 -0.003 0.000 1.550 166 N CA -0.395 52.643 53.050 -0.018 0.000 0.731 166 N CB 0.283 38.765 38.487 -0.009 0.000 2.741 166 N HN 0.014 nan 8.380 nan 0.000 0.555 167 D N -0.425 119.978 120.400 0.005 0.000 2.369 167 D HA 0.279 4.919 4.640 0.000 0.000 0.211 167 D C 0.167 176.469 176.300 0.004 0.000 1.077 167 D CA 0.234 54.238 54.000 0.006 0.000 0.842 167 D CB 0.513 41.318 40.800 0.009 0.000 0.947 167 D HN 0.577 nan 8.370 nan 0.000 0.509 168 I N -4.375 116.201 120.570 0.011 0.000 2.892 168 I HA 0.695 4.865 4.170 0.000 0.000 0.306 168 I C 1.062 177.166 176.117 -0.022 0.000 1.078 168 I CA -0.715 60.591 61.300 0.011 0.000 1.032 168 I CB 2.283 40.325 38.000 0.071 0.000 1.229 168 I HN 0.026 nan 8.210 nan 0.000 0.435 169 G N 2.700 111.398 108.800 -0.169 0.000 2.574 169 G HA2 -0.181 3.780 3.960 0.000 0.000 0.301 169 G HA3 -0.181 3.780 3.960 0.000 0.000 0.301 169 G C 0.118 174.825 174.900 -0.321 0.000 1.166 169 G CA 1.229 46.032 45.100 -0.495 0.000 0.971 169 G HN 1.797 nan 8.290 nan 0.000 0.542 170 V N -3.247 116.616 119.914 -0.085 0.000 3.271 170 V HA 0.954 5.074 4.120 0.000 0.000 0.305 170 V C -0.007 176.082 176.094 -0.009 0.000 1.303 170 V CA 0.009 62.285 62.300 -0.042 0.000 1.038 170 V CB 1.233 33.051 31.823 -0.009 0.000 1.197 170 V HN 2.152 nan 8.190 nan 0.000 0.478 171 V N -0.320 119.593 119.914 -0.001 0.000 2.851 171 V HA 0.836 4.956 4.120 0.000 0.000 0.307 171 V C 0.394 176.484 176.094 -0.008 0.000 1.129 171 V CA 0.505 62.793 62.300 -0.020 0.000 0.932 171 V CB 1.561 33.393 31.823 0.015 0.000 1.024 171 V HN 1.557 nan 8.190 nan 0.000 0.426 172 G N 3.288 112.048 108.800 -0.067 0.000 2.616 172 G HA2 0.410 4.371 3.960 0.000 0.000 0.268 172 G HA3 0.410 4.371 3.960 0.000 0.000 0.268 172 G C 0.963 175.915 174.900 0.088 0.000 1.213 172 G CA 0.278 45.349 45.100 -0.047 0.000 0.926 172 G HN 0.841 nan 8.290 nan 0.000 0.523 173 V N 0.531 120.496 119.914 0.085 0.000 2.427 173 V HA 0.068 4.188 4.120 0.000 0.000 0.248 173 V C 1.891 178.174 176.094 0.316 0.000 1.051 173 V CA 2.147 64.583 62.300 0.225 0.000 1.048 173 V CB -0.413 31.470 31.823 0.100 0.000 0.666 173 V HN 0.830 nan 8.190 nan 0.000 0.456 174 A N 0.482 123.361 122.820 0.098 0.000 2.978 174 A HA 0.550 4.871 4.320 0.000 0.000 0.341 174 A C -1.724 175.776 177.584 -0.141 0.000 1.105 174 A CA -0.989 51.061 52.037 0.022 0.000 0.819 174 A CB 0.490 19.508 19.000 0.031 0.000 1.080 174 A HN 0.292 nan 8.150 nan 0.000 0.476 175 P HA 0.023 nan 4.420 nan 0.000 0.242 175 P C 0.990 178.132 177.300 -0.263 0.000 1.197 175 P CA 1.221 64.111 63.100 -0.350 0.000 0.765 175 P CB 0.292 31.635 31.700 -0.596 0.000 0.936 176 G N -0.596 108.071 108.800 -0.223 0.000 3.324 176 G HA2 0.143 4.104 3.960 0.000 0.000 0.251 176 G HA3 0.143 4.104 3.960 0.000 0.000 0.251 176 G C -0.047 174.799 174.900 -0.091 0.000 1.072 176 G CA 0.060 45.076 45.100 -0.141 0.000 0.787 176 G HN 0.195 nan 8.290 nan 0.000 0.537 177 V N 0.903 120.765 119.914 -0.086 0.000 2.583 177 V HA 0.268 4.388 4.120 0.000 0.000 0.287 177 V C 0.055 176.111 176.094 -0.064 0.000 1.051 177 V CA -0.562 61.698 62.300 -0.067 0.000 1.010 177 V CB 1.401 33.190 31.823 -0.057 0.000 0.988 177 V HN 0.387 nan 8.190 nan 0.000 0.478 178 Q N 5.286 125.043 119.800 -0.071 0.000 2.313 178 Q HA 0.328 4.668 4.340 0.000 0.000 0.266 178 Q C -0.706 175.237 176.000 -0.096 0.000 0.989 178 Q CA -0.012 55.754 55.803 -0.063 0.000 0.890 178 Q CB 1.031 29.721 28.738 -0.079 0.000 1.200 178 Q HN 0.515 nan 8.270 nan 0.000 0.396 179 I N 3.292 123.852 120.570 -0.017 0.000 2.404 179 I HA 0.213 4.384 4.170 0.000 0.000 0.293 179 I C -0.790 175.451 176.117 0.207 0.000 0.992 179 I CA -0.778 60.534 61.300 0.021 0.000 1.149 179 I CB 0.946 38.972 38.000 0.043 0.000 1.315 179 I HN 0.520 nan 8.210 nan 0.000 0.446 180 Y N 3.466 123.837 120.300 0.118 0.000 2.367 180 Y HA 0.231 4.781 4.550 0.000 0.000 0.342 180 Y C 0.907 176.828 175.900 0.034 0.000 0.979 180 Y CA -1.087 57.107 58.100 0.157 0.000 1.161 180 Y CB 1.360 39.982 38.460 0.270 0.000 1.155 180 Y HN 0.424 nan 8.280 nan 0.000 0.503 181 S N 3.581 119.358 115.700 0.128 0.000 2.411 181 S HA 0.544 5.014 4.470 0.000 0.000 0.294 181 S C -0.823 173.707 174.600 -0.117 0.000 1.115 181 S CA -0.517 57.694 58.200 0.017 0.000 1.071 181 S CB -0.178 63.034 63.200 0.020 0.000 0.967 181 S HN 0.368 nan 8.310 nan 0.000 0.488 182 V N 7.241 127.098 119.914 -0.094 0.000 2.304 182 V HA 0.398 4.518 4.120 0.000 0.000 0.278 182 V C 0.322 176.357 176.094 -0.099 0.000 1.018 182 V CA -0.854 61.342 62.300 -0.174 0.000 0.814 182 V CB 0.732 32.477 31.823 -0.129 0.000 1.021 182 V HN 0.848 nan 8.190 nan 0.000 0.440 183 R N 4.001 124.434 120.500 -0.111 0.000 2.288 183 R HA 0.337 4.677 4.340 0.000 0.000 0.330 183 R C 0.579 176.849 176.300 -0.051 0.000 1.069 183 R CA 0.048 56.111 56.100 -0.061 0.000 0.941 183 R CB 0.997 31.265 30.300 -0.054 0.000 0.998 183 R HN 0.625 nan 8.270 nan 0.000 0.452 184 V N 2.679 122.578 119.914 -0.025 0.000 3.477 184 V HA 0.357 4.477 4.120 0.000 0.000 0.297 184 V C -0.062 176.034 176.094 0.002 0.000 1.433 184 V CA -0.198 62.098 62.300 -0.008 0.000 1.052 184 V CB -0.232 31.594 31.823 0.005 0.000 0.895 184 V HN 0.493 nan 8.190 nan 0.000 0.438 185 L N 1.742 122.960 121.223 -0.007 0.000 2.388 185 L HA 0.654 4.994 4.340 0.000 0.000 0.264 185 L C -0.526 176.337 176.870 -0.012 0.000 0.998 185 L CA -0.807 54.028 54.840 -0.009 0.000 0.817 185 L CB 2.167 44.211 42.059 -0.024 0.000 1.338 185 L HN 0.269 nan 8.230 nan 0.000 0.414 186 D N 1.348 121.742 120.400 -0.010 0.000 2.478 186 D HA 0.261 4.901 4.640 0.000 0.000 0.274 186 D C 1.073 177.366 176.300 -0.013 0.000 1.234 186 D CA -0.055 53.939 54.000 -0.010 0.000 1.069 186 D CB 0.718 41.515 40.800 -0.005 0.000 1.113 186 D HN 0.512 nan 8.370 nan 0.000 0.571 187 A N -0.600 122.214 122.820 -0.011 0.000 1.978 187 A HA -0.194 4.127 4.320 0.000 0.000 0.220 187 A C 2.072 179.650 177.584 -0.009 0.000 1.170 187 A CA 1.359 53.389 52.037 -0.011 0.000 0.636 187 A CB -0.621 18.374 19.000 -0.009 0.000 0.810 187 A HN 0.539 nan 8.150 nan 0.000 0.448 188 R N -1.713 118.781 120.500 -0.009 0.000 2.334 188 R HA 0.263 4.604 4.340 0.000 0.000 0.216 188 R C 1.117 177.405 176.300 -0.019 0.000 0.905 188 R CA 0.477 56.572 56.100 -0.009 0.000 1.064 188 R CB 0.064 30.360 30.300 -0.006 0.000 1.046 188 R HN 0.654 nan 8.270 nan 0.000 0.508 189 G N 1.048 109.831 108.800 -0.029 0.000 2.147 189 G HA2 -0.284 3.676 3.960 0.000 0.000 0.244 189 G HA3 -0.284 3.676 3.960 0.000 0.000 0.244 189 G C -0.048 174.832 174.900 -0.034 0.000 1.005 189 G CA 0.465 45.533 45.100 -0.053 0.000 0.713 189 G HN 0.324 nan 8.290 nan 0.000 0.515 190 S N -0.476 115.215 115.700 -0.015 0.000 2.525 190 S HA 0.858 5.328 4.470 0.000 0.000 0.290 190 S C 0.584 175.191 174.600 0.012 0.000 1.152 190 S CA 0.802 59.002 58.200 0.001 0.000 1.072 190 S CB 1.460 64.660 63.200 0.001 0.000 1.027 190 S HN 1.654 nan 8.310 nan 0.000 0.500 191 G N 1.456 110.276 108.800 0.033 0.000 2.827 191 G HA2 0.648 4.608 3.960 0.000 0.000 0.296 191 G HA3 0.648 4.608 3.960 0.000 0.000 0.296 191 G C -1.134 173.815 174.900 0.082 0.000 1.362 191 G CA -0.407 44.724 45.100 0.050 0.000 0.809 191 G HN 1.066 nan 8.290 nan 0.000 0.522 192 S N -1.647 114.117 115.700 0.106 0.000 2.600 192 S HA 0.467 4.937 4.470 0.000 0.000 0.300 192 S C 0.489 175.255 174.600 0.276 0.000 1.087 192 S CA -0.721 57.569 58.200 0.151 0.000 0.965 192 S CB 1.574 64.833 63.200 0.098 0.000 1.089 192 S HN 0.588 nan 8.310 nan 0.000 0.496 193 Y N 1.282 121.632 120.300 0.083 0.000 2.207 193 Y HA -0.223 4.326 4.550 -0.001 0.000 0.287 193 Y C 3.140 179.165 175.900 0.209 0.000 1.156 193 Y CA 1.180 59.344 58.100 0.107 0.000 1.182 193 Y CB -0.149 38.366 38.460 0.092 0.000 0.979 193 Y HN 0.910 nan 8.280 nan 0.000 0.521 194 S N -0.197 115.746 115.700 0.405 0.000 2.368 194 S HA -0.205 4.265 4.470 0.000 0.000 0.225 194 S C 1.430 176.143 174.600 0.189 0.000 1.030 194 S CA 1.598 59.978 58.200 0.301 0.000 0.999 194 S CB -0.469 62.810 63.200 0.131 0.000 0.844 194 S HN 0.359 nan 8.310 nan 0.000 0.459 195 D N 1.778 122.264 120.400 0.142 0.000 2.144 195 D HA 0.062 4.702 4.640 0.000 0.000 0.199 195 D C 1.887 178.234 176.300 0.079 0.000 0.984 195 D CA 0.964 55.015 54.000 0.085 0.000 0.834 195 D CB -0.384 40.453 40.800 0.061 0.000 0.955 195 D HN 0.486 nan 8.370 nan 0.000 0.465 196 I N 0.845 121.473 120.570 0.097 0.000 2.252 196 I HA -0.197 3.974 4.170 0.000 0.000 0.245 196 I C 2.417 178.573 176.117 0.065 0.000 1.102 196 I CA 0.877 62.210 61.300 0.055 0.000 1.385 196 I CB -0.196 37.810 38.000 0.009 0.000 1.064 196 I HN -0.076 nan 8.210 nan 0.000 0.414 197 A N 1.117 124.009 122.820 0.120 0.000 1.898 197 A HA -0.131 4.190 4.320 0.000 0.000 0.216 197 A C 2.291 179.948 177.584 0.122 0.000 1.181 197 A CA 1.328 53.454 52.037 0.149 0.000 0.620 197 A CB -0.750 18.451 19.000 0.334 0.000 0.819 197 A HN 0.366 nan 8.150 nan 0.000 0.442 198 I N -0.270 120.364 120.570 0.107 0.000 2.286 198 I HA -0.196 3.974 4.170 0.000 0.000 0.248 198 I C 2.657 178.807 176.117 0.054 0.000 1.115 198 I CA 1.090 62.433 61.300 0.071 0.000 1.392 198 I CB -0.572 37.459 38.000 0.051 0.000 1.065 198 I HN 0.398 nan 8.210 nan 0.000 0.418 199 G N 1.157 109.981 108.800 0.040 0.000 2.422 199 G HA2 -0.176 3.784 3.960 0.000 0.000 0.218 199 G HA3 -0.176 3.784 3.960 0.000 0.000 0.218 199 G C 1.693 176.622 174.900 0.049 0.000 1.146 199 G CA 0.521 45.630 45.100 0.016 0.000 0.769 199 G HN 0.308 nan 8.290 nan 0.000 0.547 200 I N 0.426 121.036 120.570 0.066 0.000 2.179 200 I HA -0.146 4.024 4.170 0.000 0.000 0.242 200 I C 2.628 178.804 176.117 0.097 0.000 1.088 200 I CA 1.557 62.906 61.300 0.082 0.000 1.357 200 I CB -0.241 37.804 38.000 0.074 0.000 1.051 200 I HN 0.285 nan 8.210 nan 0.000 0.409 201 E N 0.654 120.908 120.200 0.091 0.000 2.085 201 E HA -0.278 4.072 4.350 0.000 0.000 0.194 201 E C 2.249 178.924 176.600 0.125 0.000 0.994 201 E CA 1.317 57.773 56.400 0.095 0.000 0.801 201 E CB 0.093 29.842 29.700 0.081 0.000 0.743 201 E HN 0.378 nan 8.360 nan 0.000 0.453 202 Q N -0.127 119.754 119.800 0.136 0.000 2.124 202 Q HA -0.140 4.200 4.340 0.000 0.000 0.202 202 Q C 2.177 178.381 176.000 0.340 0.000 0.977 202 Q CA 1.412 57.355 55.803 0.233 0.000 0.850 202 Q CB -0.457 28.359 28.738 0.129 0.000 0.901 202 Q HN 0.416 nan 8.270 nan 0.000 0.429 203 A N 0.548 123.522 122.820 0.258 0.000 1.972 203 A HA -0.134 4.187 4.320 0.000 0.000 0.219 203 A C 2.111 179.864 177.584 0.281 0.000 1.169 203 A CA 1.048 53.284 52.037 0.332 0.000 0.635 203 A CB -0.502 18.639 19.000 0.234 0.000 0.810 203 A HN 0.321 nan 8.150 nan 0.000 0.446 204 I N -0.850 119.832 120.570 0.187 0.000 2.339 204 I HA -0.133 4.037 4.170 0.000 0.000 0.245 204 I C 2.247 178.428 176.117 0.107 0.000 1.096 204 I CA 0.701 62.078 61.300 0.129 0.000 1.408 204 I CB -0.335 37.720 38.000 0.091 0.000 1.092 204 I HN 0.220 nan 8.210 nan 0.000 0.423 205 L N 0.782 122.068 121.223 0.104 0.000 2.083 205 L HA 0.003 4.343 4.340 0.000 0.000 0.209 205 L C 1.385 178.243 176.870 -0.020 0.000 1.083 205 L CA 0.816 55.686 54.840 0.050 0.000 0.752 205 L CB -1.242 40.857 42.059 0.066 0.000 0.899 205 L HN 0.514 nan 8.230 nan 0.000 0.433 206 G N -0.355 108.438 108.800 -0.012 0.000 2.806 206 G HA2 -0.246 3.715 3.960 0.000 0.000 0.236 206 G HA3 -0.246 3.715 3.960 0.000 0.000 0.236 206 G C -2.009 172.351 174.900 -0.900 0.000 1.387 206 G CA -0.248 44.618 45.100 -0.391 0.000 0.884 206 G HN 0.086 nan 8.290 nan 0.000 0.560 207 P HA -0.010 nan 4.420 nan 0.000 0.219 207 P C 1.303 178.259 177.300 -0.573 0.000 1.146 207 P CA 1.881 64.145 63.100 -1.394 0.000 0.808 207 P CB -0.065 30.864 31.700 -1.285 0.000 0.779 208 D N -1.720 118.447 120.400 -0.387 0.000 2.349 208 D HA 0.057 4.697 4.640 0.000 0.000 0.224 208 D C 1.427 177.646 176.300 -0.135 0.000 1.029 208 D CA 0.647 54.523 54.000 -0.208 0.000 0.879 208 D CB -1.102 39.607 40.800 -0.151 0.000 0.906 208 D HN 0.188 nan 8.370 nan 0.000 0.528 209 G N -0.642 108.076 108.800 -0.136 0.000 2.155 209 G HA2 -0.218 3.742 3.960 0.000 0.000 0.257 209 G HA3 -0.218 3.742 3.960 0.000 0.000 0.257 209 G C -0.027 174.856 174.900 -0.028 0.000 0.983 209 G CA 0.434 45.503 45.100 -0.051 0.000 0.676 209 G HN 0.460 nan 8.290 nan 0.000 0.528 210 V N -0.271 119.619 119.914 -0.040 0.000 2.525 210 V HA 0.711 4.832 4.120 0.000 0.000 0.299 210 V C 1.139 177.225 176.094 -0.014 0.000 1.034 210 V CA -0.023 62.265 62.300 -0.021 0.000 0.863 210 V CB 1.147 32.954 31.823 -0.026 0.000 0.999 210 V HN 0.713 nan 8.190 nan 0.000 0.423 211 A N 3.174 125.995 122.820 0.003 0.000 1.858 211 A HA -0.061 4.259 4.320 0.000 0.000 0.216 211 A C 0.996 178.583 177.584 0.006 0.000 1.190 211 A CA 1.959 54.003 52.037 0.012 0.000 0.617 211 A CB -0.124 18.888 19.000 0.020 0.000 0.827 211 A HN 0.798 nan 8.150 nan 0.000 0.443 212 D N -1.654 118.748 120.400 0.003 0.000 2.378 212 D HA 0.281 4.921 4.640 0.000 0.000 0.265 212 D C 0.573 176.872 176.300 -0.002 0.000 1.229 212 D CA -0.352 53.650 54.000 0.002 0.000 0.914 212 D CB 0.662 41.465 40.800 0.005 0.000 1.140 212 D HN 0.176 nan 8.370 nan 0.000 0.516 213 K N 1.249 121.645 120.400 -0.006 0.000 2.103 213 K HA -0.084 4.236 4.320 0.000 0.000 0.204 213 K C 0.589 177.185 176.600 -0.006 0.000 1.052 213 K CA 1.097 57.378 56.287 -0.010 0.000 0.945 213 K CB 0.365 32.854 32.500 -0.017 0.000 0.722 213 K HN 0.411 nan 8.250 nan 0.000 0.443 214 D N -1.196 119.203 120.400 -0.002 0.000 2.328 214 D HA 0.038 4.679 4.640 0.000 0.000 0.221 214 D C 0.856 177.157 176.300 0.003 0.000 1.072 214 D CA 0.476 54.477 54.000 0.001 0.000 0.850 214 D CB -0.041 40.762 40.800 0.004 0.000 0.922 214 D HN 0.231 nan 8.370 nan 0.000 0.516 215 G N 2.082 110.884 108.800 0.002 0.000 2.296 215 G HA2 -0.343 3.618 3.960 0.000 0.000 0.282 215 G HA3 -0.343 3.618 3.960 0.000 0.000 0.282 215 G C 0.461 175.364 174.900 0.005 0.000 1.014 215 G CA 0.733 45.835 45.100 0.003 0.000 0.812 215 G HN 0.573 nan 8.290 nan 0.000 0.508 216 D N -1.120 119.284 120.400 0.007 0.000 2.328 216 D HA 0.351 4.992 4.640 0.000 0.000 0.221 216 D C 1.826 178.131 176.300 0.009 0.000 1.072 216 D CA 0.436 54.441 54.000 0.009 0.000 0.850 216 D CB -0.554 40.253 40.800 0.013 0.000 0.922 216 D HN 1.413 nan 8.370 nan 0.000 0.516 217 G N 0.381 109.186 108.800 0.007 0.000 2.168 217 G HA2 -0.284 3.676 3.960 0.000 0.000 0.263 217 G HA3 -0.284 3.676 3.960 0.000 0.000 0.263 217 G C 0.114 175.018 174.900 0.006 0.000 0.977 217 G CA 0.404 45.508 45.100 0.006 0.000 0.659 217 G HN 0.481 nan 8.290 nan 0.000 0.533 218 I N 0.427 121.003 120.570 0.011 0.000 2.339 218 I HA 0.498 4.668 4.170 0.000 0.000 0.290 218 I C 1.221 177.346 176.117 0.012 0.000 0.994 218 I CA -0.873 60.435 61.300 0.014 0.000 1.191 218 I CB 1.184 39.201 38.000 0.028 0.000 1.343 218 I HN -0.015 nan 8.210 nan 0.000 0.458 219 I N 3.681 124.256 120.570 0.007 0.000 4.083 219 I HA 0.275 4.445 4.170 0.000 0.000 0.240 219 I C 1.242 177.361 176.117 0.004 0.000 1.088 219 I CA -0.013 61.292 61.300 0.008 0.000 1.651 219 I CB -0.001 38.005 38.000 0.010 0.000 1.573 219 I HN 0.563 nan 8.210 nan 0.000 0.451 220 A N 1.004 123.823 122.820 -0.001 0.000 2.477 220 A HA 0.411 4.731 4.320 0.000 0.000 0.246 220 A C 1.143 178.722 177.584 -0.008 0.000 1.078 220 A CA 0.732 52.763 52.037 -0.011 0.000 0.770 220 A CB -0.450 18.539 19.000 -0.019 0.000 1.011 220 A HN 0.934 nan 8.150 nan 0.000 0.494 221 G N 1.384 110.165 108.800 -0.032 0.000 2.179 221 G HA2 -0.212 3.748 3.960 0.000 0.000 0.260 221 G HA3 -0.212 3.748 3.960 0.000 0.000 0.260 221 G C 0.054 174.966 174.900 0.021 0.000 0.977 221 G CA 0.461 45.551 45.100 -0.016 0.000 0.641 221 G HN 0.998 nan 8.290 nan 0.000 0.533 222 D N 0.975 121.379 120.400 0.007 0.000 2.347 222 D HA 0.437 5.077 4.640 0.000 0.000 0.235 222 D C -0.388 175.907 176.300 -0.009 0.000 1.149 222 D CA -1.985 52.033 54.000 0.030 0.000 0.850 222 D CB 1.542 42.357 40.800 0.025 0.000 1.061 222 D HN 0.150 nan 8.370 nan 0.000 0.487 223 P HA -0.045 nan 4.420 nan 0.000 0.230 223 P C 0.276 177.574 177.300 -0.004 0.000 1.158 223 P CA 0.559 63.648 63.100 -0.018 0.000 0.769 223 P CB 0.619 32.349 31.700 0.051 0.000 0.807 224 D N -0.656 119.749 120.400 0.008 0.000 2.339 224 D HA 0.061 4.701 4.640 0.000 0.000 0.217 224 D C 0.402 176.697 176.300 -0.009 0.000 1.050 224 D CA 0.499 54.500 54.000 0.001 0.000 0.856 224 D CB 0.307 41.112 40.800 0.009 0.000 0.922 224 D HN 0.204 nan 8.370 nan 0.000 0.518 225 D N 0.272 120.666 120.400 -0.011 0.000 2.442 225 D HA 0.131 4.771 4.640 0.000 0.000 0.254 225 D C 0.287 176.577 176.300 -0.017 0.000 1.069 225 D CA -0.292 53.699 54.000 -0.015 0.000 1.017 225 D CB 1.669 42.467 40.800 -0.005 0.000 1.172 225 D HN -0.051 nan 8.370 nan 0.000 0.561 226 D N -1.554 118.840 120.400 -0.010 0.000 2.571 226 D HA 0.252 4.892 4.640 0.000 0.000 0.239 226 D C 0.084 176.455 176.300 0.117 0.000 1.267 226 D CA -0.480 53.535 54.000 0.026 0.000 0.823 226 D CB -0.161 40.619 40.800 -0.032 0.000 1.056 226 D HN 0.295 nan 8.370 nan 0.000 0.494 227 A N 0.584 123.451 122.820 0.079 0.000 2.498 227 A HA 0.542 4.863 4.320 0.000 0.000 0.239 227 A C 0.861 178.512 177.584 0.112 0.000 1.068 227 A CA 0.012 52.123 52.037 0.124 0.000 0.766 227 A CB 0.155 19.194 19.000 0.065 0.000 1.003 227 A HN 0.457 nan 8.150 nan 0.000 0.497 228 A N 1.369 124.286 122.820 0.161 0.000 2.386 228 A HA 0.465 4.785 4.320 0.000 0.000 0.248 228 A C 0.619 178.202 177.584 -0.003 0.000 1.082 228 A CA 0.079 52.116 52.037 0.000 0.000 0.789 228 A CB 0.062 19.095 19.000 0.055 0.000 1.025 228 A HN 0.855 nan 8.150 nan 0.000 0.490 229 E N -0.461 119.711 120.200 -0.046 0.000 2.431 229 E HA 0.232 4.582 4.350 0.000 0.000 0.200 229 E C -0.480 176.114 176.600 -0.009 0.000 0.995 229 E CA 0.557 56.938 56.400 -0.031 0.000 0.915 229 E CB 0.680 30.350 29.700 -0.051 0.000 0.930 229 E HN 0.360 nan 8.360 nan 0.000 0.496 230 V N 1.194 121.105 119.914 -0.005 0.000 2.760 230 V HA 0.434 4.555 4.120 0.000 0.000 0.309 230 V C -0.624 175.496 176.094 0.043 0.000 1.077 230 V CA -0.756 61.557 62.300 0.022 0.000 0.910 230 V CB 2.263 34.095 31.823 0.015 0.000 1.008 230 V HN -0.023 nan 8.190 nan 0.000 0.424 231 I N 2.494 123.104 120.570 0.068 0.000 2.389 231 I HA 0.432 4.602 4.170 0.000 0.000 0.288 231 I C -0.031 176.136 176.117 0.083 0.000 0.999 231 I CA -0.159 61.190 61.300 0.082 0.000 1.129 231 I CB 2.042 40.100 38.000 0.096 0.000 1.288 231 I HN 0.572 nan 8.210 nan 0.000 0.444 232 S N 7.791 123.538 115.700 0.078 0.000 2.461 232 S HA 0.564 5.034 4.470 0.000 0.000 0.322 232 S C -0.316 174.334 174.600 0.084 0.000 1.063 232 S CA -0.668 57.581 58.200 0.081 0.000 1.120 232 S CB 0.317 63.559 63.200 0.070 0.000 0.968 232 S HN 0.427 nan 8.310 nan 0.000 0.467 233 M N 3.427 123.079 119.600 0.088 0.000 2.180 233 M HA 0.295 4.775 4.480 0.000 0.000 0.350 233 M C -0.084 176.265 176.300 0.082 0.000 1.125 233 M CA -0.330 55.018 55.300 0.079 0.000 1.031 233 M CB 1.626 34.273 32.600 0.078 0.000 1.623 233 M HN 0.402 nan 8.290 nan 0.000 0.451 234 S N 4.565 120.309 115.700 0.074 0.000 2.694 234 S HA 0.461 4.931 4.470 0.000 0.000 0.211 234 S C -0.486 174.119 174.600 0.008 0.000 1.328 234 S CA -0.536 57.711 58.200 0.079 0.000 1.236 234 S CB -0.240 63.038 63.200 0.129 0.000 1.121 234 S HN 0.428 nan 8.310 nan 0.000 0.517 235 L N 1.209 122.445 121.223 0.022 0.000 2.409 235 L HA 0.812 5.152 4.340 0.000 0.000 0.262 235 L C 0.234 177.114 176.870 0.017 0.000 0.992 235 L CA -0.251 54.594 54.840 0.008 0.000 0.817 235 L CB 1.612 43.675 42.059 0.008 0.000 1.350 235 L HN 0.420 nan 8.230 nan 0.000 0.411 236 G N -0.129 108.682 108.800 0.018 0.000 2.701 236 G HA2 0.765 4.725 3.960 0.000 0.000 0.300 236 G HA3 0.765 4.725 3.960 0.000 0.000 0.300 236 G C -0.841 174.088 174.900 0.048 0.000 1.410 236 G CA -0.054 45.062 45.100 0.027 0.000 1.014 236 G HN 0.931 nan 8.290 nan 0.000 0.509 237 G N 1.197 110.036 108.800 0.065 0.000 2.428 237 G HA2 0.787 4.747 3.960 0.000 0.000 0.304 237 G HA3 0.787 4.747 3.960 0.000 0.000 0.304 237 G C -3.163 171.788 174.900 0.085 0.000 1.303 237 G CA -0.620 44.532 45.100 0.086 0.000 0.825 237 G HN 0.641 nan 8.290 nan 0.000 0.484 238 P HA 0.513 nan 4.420 nan 0.000 0.279 238 P C 0.102 177.186 177.300 -0.359 0.000 1.282 238 P CA 0.074 63.142 63.100 -0.053 0.000 0.788 238 P CB 0.756 32.430 31.700 -0.043 0.000 1.139 239 A N 0.291 122.693 122.820 -0.697 0.000 2.498 239 A HA 0.172 4.492 4.320 0.000 0.000 0.239 239 A C 0.308 177.594 177.584 -0.498 0.000 1.068 239 A CA 0.287 51.600 52.037 -1.206 0.000 0.766 239 A CB -0.552 17.905 19.000 -0.905 0.000 1.003 239 A HN 0.645 nan 8.150 nan 0.000 0.497 240 D N 0.877 121.052 120.400 -0.375 0.000 2.646 240 D HA 0.345 4.986 4.640 0.000 0.000 0.245 240 D C -1.590 174.701 176.300 -0.014 0.000 1.099 240 D CA -0.306 53.643 54.000 -0.086 0.000 0.849 240 D CB 1.889 42.679 40.800 -0.016 0.000 1.448 240 D HN 0.381 nan 8.370 nan 0.000 0.489 241 D N 2.191 122.613 120.400 0.036 0.000 2.963 241 D HA 0.160 4.801 4.640 0.000 0.000 0.361 241 D C -0.367 175.990 176.300 0.096 0.000 1.317 241 D CA -0.228 53.849 54.000 0.128 0.000 0.832 241 D CB 0.220 41.080 40.800 0.099 0.000 1.135 241 D HN 0.316 nan 8.370 nan 0.000 0.476 242 S N -1.058 114.672 115.700 0.049 0.000 2.855 242 S HA 0.254 4.724 4.470 0.000 0.000 0.308 242 S C 1.424 176.003 174.600 -0.036 0.000 1.077 242 S CA -0.613 57.596 58.200 0.015 0.000 0.896 242 S CB -0.074 63.108 63.200 -0.030 0.000 1.339 242 S HN 0.151 nan 8.310 nan 0.000 0.602 243 Y N -0.096 120.245 120.300 0.069 0.000 2.315 243 Y HA 0.015 4.565 4.550 0.001 0.000 0.288 243 Y C 2.014 177.937 175.900 0.038 0.000 1.154 243 Y CA 1.197 59.322 58.100 0.042 0.000 1.229 243 Y CB -0.781 37.706 38.460 0.044 0.000 0.980 243 Y HN 0.433 nan 8.280 nan 0.000 0.540 244 L N -0.333 120.471 121.223 -0.699 0.000 2.027 244 L HA -0.157 4.183 4.340 0.000 0.000 0.206 244 L C 2.374 179.166 176.870 -0.131 0.000 1.074 244 L CA 1.736 56.332 54.840 -0.406 0.000 0.745 244 L CB -1.352 40.360 42.059 -0.579 0.000 0.898 244 L HN 0.368 nan 8.230 nan 0.000 0.433 245 Y N 0.718 120.845 120.300 -0.289 0.000 2.224 245 Y HA -0.222 4.328 4.550 0.001 0.000 0.289 245 Y C 2.241 177.997 175.900 -0.240 0.000 1.146 245 Y CA 1.642 59.534 58.100 -0.347 0.000 1.182 245 Y CB -0.646 37.585 38.460 -0.382 0.000 0.983 245 Y HN 0.368 nan 8.280 nan 0.000 0.524 246 D N -0.358 119.943 120.400 -0.165 0.000 2.149 246 D HA -0.211 4.429 4.640 0.000 0.000 0.198 246 D C 2.161 178.397 176.300 -0.107 0.000 0.990 246 D CA 1.517 55.410 54.000 -0.179 0.000 0.839 246 D CB -0.315 40.453 40.800 -0.053 0.000 0.948 246 D HN 0.372 nan 8.370 nan 0.000 0.460 247 M N 0.289 119.870 119.600 -0.032 0.000 2.132 247 M HA -0.021 4.460 4.480 0.000 0.000 0.263 247 M C 1.923 178.224 176.300 0.002 0.000 1.065 247 M CA 0.990 56.298 55.300 0.012 0.000 1.122 247 M CB -0.286 32.350 32.600 0.060 0.000 1.365 247 M HN -0.068 nan 8.290 nan 0.000 0.411 248 I N -0.574 119.987 120.570 -0.015 0.000 2.208 248 I HA -0.345 3.825 4.170 0.000 0.000 0.245 248 I C 2.158 178.275 176.117 -0.000 0.000 1.097 248 I CA 1.410 62.720 61.300 0.018 0.000 1.363 248 I CB -0.502 37.524 38.000 0.042 0.000 1.051 248 I HN 0.273 nan 8.210 nan 0.000 0.413 249 I N 0.053 120.541 120.570 -0.136 0.000 2.226 249 I HA -0.285 3.885 4.170 0.000 0.000 0.245 249 I C 2.622 178.748 176.117 0.015 0.000 1.100 249 I CA 1.093 62.320 61.300 -0.122 0.000 1.374 249 I CB -0.372 37.433 38.000 -0.325 0.000 1.057 249 I HN 0.290 nan 8.210 nan 0.000 0.413 250 Q N 0.507 120.303 119.800 -0.006 0.000 2.124 250 Q HA -0.171 4.169 4.340 0.000 0.000 0.202 250 Q C 2.459 178.492 176.000 0.054 0.000 0.977 250 Q CA 1.854 57.672 55.803 0.025 0.000 0.850 250 Q CB -0.538 28.212 28.738 0.020 0.000 0.901 250 Q HN 0.589 nan 8.270 nan 0.000 0.429 251 A N 0.043 122.905 122.820 0.071 0.000 1.877 251 A HA -0.213 4.107 4.320 0.000 0.000 0.216 251 A C 2.034 179.677 177.584 0.098 0.000 1.186 251 A CA 1.436 53.524 52.037 0.085 0.000 0.620 251 A CB -0.982 18.077 19.000 0.098 0.000 0.822 251 A HN 0.414 nan 8.150 nan 0.000 0.443 252 Y N 1.245 121.554 120.300 0.015 0.000 2.097 252 Y HA -0.262 4.290 4.550 0.002 0.000 0.282 252 Y C 2.122 178.029 175.900 0.011 0.000 1.152 252 Y CA 2.271 60.383 58.100 0.020 0.000 1.136 252 Y CB -0.643 37.829 38.460 0.021 0.000 0.975 252 Y HN 0.452 nan 8.280 nan 0.000 0.498 253 N N -0.201 118.563 118.700 0.106 0.000 2.272 253 N HA -0.174 4.566 4.740 0.000 0.000 0.185 253 N C 1.585 177.069 175.510 -0.043 0.000 1.014 253 N CA 0.576 53.636 53.050 0.016 0.000 0.870 253 N CB -0.272 38.252 38.487 0.062 0.000 0.975 253 N HN 0.451 nan 8.380 nan 0.000 0.433 254 A N 0.368 123.171 122.820 -0.028 0.000 2.235 254 A HA 0.294 4.614 4.320 0.000 0.000 0.208 254 A C 1.554 179.105 177.584 -0.055 0.000 1.172 254 A CA 0.749 52.771 52.037 -0.024 0.000 0.786 254 A CB -0.266 18.738 19.000 0.008 0.000 0.804 254 A HN 0.337 nan 8.150 nan 0.000 0.479 255 G N -0.988 107.738 108.800 -0.124 0.000 2.132 255 G HA2 -0.198 3.762 3.960 0.000 0.000 0.234 255 G HA3 -0.198 3.762 3.960 0.000 0.000 0.234 255 G C 0.004 174.837 174.900 -0.111 0.000 0.989 255 G CA 0.147 45.158 45.100 -0.147 0.000 0.676 255 G HN 0.466 nan 8.290 nan 0.000 0.522 256 I N 1.214 121.737 120.570 -0.078 0.000 2.342 256 I HA 0.361 4.531 4.170 0.000 0.000 0.291 256 I C 0.828 176.951 176.117 0.011 0.000 1.010 256 I CA -1.045 60.247 61.300 -0.014 0.000 1.308 256 I CB 1.632 39.651 38.000 0.032 0.000 1.400 256 I HN -0.124 nan 8.210 nan 0.000 0.488 257 V N 7.743 127.671 119.914 0.023 0.000 2.488 257 V HA 0.242 4.363 4.120 0.000 0.000 0.277 257 V C 0.260 176.413 176.094 0.099 0.000 1.046 257 V CA -0.079 62.260 62.300 0.065 0.000 0.986 257 V CB 0.772 32.621 31.823 0.043 0.000 0.989 257 V HN 0.444 nan 8.190 nan 0.000 0.475 258 I N 5.349 126.008 120.570 0.148 0.000 2.404 258 I HA 0.583 4.753 4.170 0.000 0.000 0.293 258 I C -0.570 175.633 176.117 0.143 0.000 0.992 258 I CA -0.661 60.726 61.300 0.146 0.000 1.149 258 I CB 1.895 39.998 38.000 0.172 0.000 1.315 258 I HN 0.275 nan 8.210 nan 0.000 0.446 259 V N 4.643 124.631 119.914 0.122 0.000 2.656 259 V HA 0.929 5.049 4.120 0.000 0.000 0.307 259 V C -0.193 175.967 176.094 0.110 0.000 1.051 259 V CA -0.484 61.888 62.300 0.119 0.000 0.893 259 V CB 1.662 33.550 31.823 0.108 0.000 0.999 259 V HN 0.906 nan 8.190 nan 0.000 0.426 260 A N 2.682 125.565 122.820 0.105 0.000 2.606 260 A HA 0.958 5.278 4.320 0.000 0.000 0.293 260 A C -0.434 177.200 177.584 0.084 0.000 1.082 260 A CA -0.238 51.853 52.037 0.091 0.000 0.685 260 A CB 1.562 20.608 19.000 0.077 0.000 1.284 260 A HN 1.637 nan 8.150 nan 0.000 0.408 261 A N 0.536 123.405 122.820 0.082 0.000 2.401 261 A HA 0.511 4.831 4.320 0.000 0.000 0.259 261 A C 1.378 178.994 177.584 0.053 0.000 1.103 261 A CA 0.386 52.474 52.037 0.085 0.000 0.789 261 A CB -0.064 18.997 19.000 0.102 0.000 1.035 261 A HN 2.047 nan 8.150 nan 0.000 0.491 262 S N 1.970 117.703 115.700 0.054 0.000 2.447 262 S HA 0.378 4.848 4.470 0.000 0.000 0.233 262 S C 1.023 175.635 174.600 0.020 0.000 1.006 262 S CA 0.712 58.923 58.200 0.019 0.000 0.957 262 S CB -0.708 62.504 63.200 0.020 0.000 0.773 262 S HN 2.648 nan 8.310 nan 0.000 0.507 263 G N 0.607 109.443 108.800 0.059 0.000 2.459 263 G HA2 -0.001 3.959 3.960 0.000 0.000 0.685 263 G HA3 -0.001 3.959 3.960 0.000 0.000 0.685 263 G C -0.781 174.188 174.900 0.114 0.000 1.303 263 G CA -0.456 44.681 45.100 0.062 0.000 0.907 263 G HN 0.153 nan 8.290 nan 0.000 0.632 264 N N -0.207 118.551 118.700 0.097 0.000 2.338 264 N HA 0.232 4.972 4.740 0.000 0.000 0.251 264 N C 0.836 176.425 175.510 0.132 0.000 1.199 264 N CA -0.021 53.111 53.050 0.137 0.000 0.879 264 N CB 1.250 39.714 38.487 -0.038 0.000 1.159 264 N HN 0.503 nan 8.380 nan 0.000 0.514 265 E N -0.263 119.999 120.200 0.103 0.000 2.481 265 E HA 0.235 4.585 4.350 0.000 0.000 0.198 265 E C 0.992 177.635 176.600 0.072 0.000 1.027 265 E CA -0.102 56.342 56.400 0.072 0.000 0.900 265 E CB 0.042 29.765 29.700 0.040 0.000 0.993 265 E HN 0.313 nan 8.360 nan 0.000 0.482 266 G N 0.715 109.566 108.800 0.085 0.000 2.249 266 G HA2 -0.276 3.684 3.960 0.000 0.000 0.273 266 G HA3 -0.276 3.684 3.960 0.000 0.000 0.273 266 G C 0.456 175.359 174.900 0.005 0.000 1.036 266 G CA 0.314 45.432 45.100 0.030 0.000 0.824 266 G HN 0.492 nan 8.290 nan 0.000 0.504 267 A N -0.232 122.594 122.820 0.009 0.000 2.272 267 A HA 0.803 5.123 4.320 0.000 0.000 0.275 267 A C -0.353 177.223 177.584 -0.014 0.000 1.096 267 A CA -0.710 51.327 52.037 -0.001 0.000 0.822 267 A CB 0.748 19.750 19.000 0.003 0.000 1.088 267 A HN 0.084 nan 8.150 nan 0.000 0.495 268 P HA 0.059 nan 4.420 nan 0.000 0.241 268 P C -0.032 177.260 177.300 -0.013 0.000 1.191 268 P CA 1.107 64.198 63.100 -0.015 0.000 0.771 268 P CB 0.057 31.752 31.700 -0.008 0.000 0.929 269 S N -3.320 112.367 115.700 -0.022 0.000 2.656 269 S HA 0.669 5.140 4.470 0.000 0.000 0.273 269 S C -3.289 171.275 174.600 -0.061 0.000 1.168 269 S CA -2.045 56.135 58.200 -0.035 0.000 0.817 269 S CB 1.154 64.326 63.200 -0.048 0.000 1.146 269 S HN -0.303 nan 8.310 nan 0.000 0.475 270 P HA 0.376 nan 4.420 nan 0.000 0.275 270 P C -0.376 176.800 177.300 -0.207 0.000 1.228 270 P CA -0.177 62.842 63.100 -0.134 0.000 0.786 270 P CB 0.433 32.034 31.700 -0.164 0.000 0.927 271 S N 1.087 116.702 115.700 -0.141 0.000 2.596 271 S HA 0.150 4.620 4.470 0.000 0.000 0.260 271 S C -0.112 174.317 174.600 -0.285 0.000 1.336 271 S CA 0.069 58.198 58.200 -0.119 0.000 0.993 271 S CB -0.202 62.981 63.200 -0.028 0.000 0.923 271 S HN 0.277 nan 8.310 nan 0.000 0.567 272 Y N 1.586 121.753 120.300 -0.222 0.000 2.320 272 Y HA 0.293 4.843 4.550 -0.001 0.000 0.324 272 Y C -1.181 174.606 175.900 -0.190 0.000 1.190 272 Y CA -2.012 55.872 58.100 -0.361 0.000 1.215 272 Y CB 0.631 38.763 38.460 -0.547 0.000 1.221 272 Y HN 0.471 nan 8.280 nan 0.000 0.486 273 P HA -0.046 nan 4.420 nan 0.000 0.241 273 P C 0.857 178.107 177.300 -0.084 0.000 1.191 273 P CA 1.018 64.129 63.100 0.020 0.000 0.771 273 P CB 0.080 31.929 31.700 0.248 0.000 0.929 274 A N 1.280 124.025 122.820 -0.125 0.000 1.986 274 A HA -0.112 4.208 4.320 0.000 0.000 0.220 274 A C 2.362 179.802 177.584 -0.240 0.000 1.171 274 A CA 1.999 53.970 52.037 -0.109 0.000 0.640 274 A CB -1.386 17.566 19.000 -0.079 0.000 0.811 274 A HN 0.268 nan 8.150 nan 0.000 0.451 275 A N -1.819 120.652 122.820 -0.581 0.000 2.167 275 A HA 0.241 4.561 4.320 0.000 0.000 0.214 275 A C 0.531 177.778 177.584 -0.563 0.000 1.151 275 A CA 0.022 51.607 52.037 -0.753 0.000 0.735 275 A CB -0.428 17.713 19.000 -1.430 0.000 0.802 275 A HN 0.426 nan 8.150 nan 0.000 0.467 276 Y N 0.347 120.464 120.300 -0.304 0.000 2.497 276 Y HA 0.156 4.706 4.550 0.000 0.000 0.334 276 Y C -0.989 174.831 175.900 -0.134 0.000 1.199 276 Y CA -1.607 56.398 58.100 -0.159 0.000 1.425 276 Y CB 0.132 38.551 38.460 -0.068 0.000 1.291 276 Y HN 0.162 nan 8.280 nan 0.000 0.562 277 P HA -0.139 nan 4.420 nan 0.000 0.222 277 P C 0.394 177.691 177.300 -0.006 0.000 1.147 277 P CA 1.297 64.355 63.100 -0.071 0.000 0.790 277 P CB 0.420 32.064 31.700 -0.093 0.000 0.780 278 E N -0.672 119.504 120.200 -0.039 0.000 2.482 278 E HA 0.035 4.385 4.350 0.000 0.000 0.196 278 E C 0.383 177.050 176.600 0.111 0.000 1.047 278 E CA 0.304 56.589 56.400 -0.191 0.000 0.869 278 E CB -0.167 29.393 29.700 -0.232 0.000 0.836 278 E HN 0.133 nan 8.360 nan 0.000 0.520 279 V N 1.319 121.325 119.914 0.154 0.000 2.555 279 V HA 0.304 4.425 4.120 0.000 0.000 0.302 279 V C -0.012 176.182 176.094 0.165 0.000 1.038 279 V CA -0.876 61.530 62.300 0.178 0.000 0.887 279 V CB 1.934 33.868 31.823 0.185 0.000 0.991 279 V HN 0.029 nan 8.190 nan 0.000 0.434 280 I N 3.867 124.543 120.570 0.177 0.000 2.363 280 I HA 0.392 4.562 4.170 0.000 0.000 0.292 280 I C 0.835 177.041 176.117 0.147 0.000 1.075 280 I CA 0.093 61.507 61.300 0.190 0.000 1.333 280 I CB 0.923 39.042 38.000 0.198 0.000 1.415 280 I HN 0.717 nan 8.210 nan 0.000 0.502 281 A N 7.247 130.147 122.820 0.134 0.000 2.362 281 A HA 0.552 4.872 4.320 0.000 0.000 0.276 281 A C -0.215 177.442 177.584 0.121 0.000 1.153 281 A CA -0.311 51.782 52.037 0.092 0.000 0.813 281 A CB 0.370 19.399 19.000 0.048 0.000 1.081 281 A HN 0.508 nan 8.150 nan 0.000 0.507 282 V N 3.171 123.147 119.914 0.104 0.000 2.409 282 V HA 0.633 4.753 4.120 0.000 0.000 0.291 282 V C 0.937 177.083 176.094 0.087 0.000 1.020 282 V CA -0.054 62.312 62.300 0.111 0.000 0.848 282 V CB 1.369 33.265 31.823 0.122 0.000 0.990 282 V HN 1.116 nan 8.190 nan 0.000 0.430 283 G N 2.803 111.642 108.800 0.064 0.000 2.511 283 G HA2 0.739 4.699 3.960 0.000 0.000 0.316 283 G HA3 0.739 4.699 3.960 0.000 0.000 0.316 283 G C -0.628 174.295 174.900 0.038 0.000 1.210 283 G CA -0.334 44.783 45.100 0.027 0.000 0.969 283 G HN 1.089 nan 8.290 nan 0.000 0.492 284 A N -0.114 122.709 122.820 0.005 0.000 2.330 284 A HA 0.683 5.003 4.320 0.000 0.000 0.313 284 A C -0.162 177.397 177.584 -0.042 0.000 1.124 284 A CA -0.663 51.395 52.037 0.035 0.000 0.774 284 A CB 0.684 19.782 19.000 0.164 0.000 1.198 284 A HN 1.136 nan 8.150 nan 0.000 0.465 285 I N -0.100 120.501 120.570 0.052 0.000 2.607 285 I HA 0.761 4.931 4.170 0.000 0.000 0.305 285 I C -0.223 176.019 176.117 0.207 0.000 0.995 285 I CA -0.858 60.501 61.300 0.099 0.000 1.148 285 I CB 1.622 39.738 38.000 0.194 0.000 1.323 285 I HN 0.630 nan 8.210 nan 0.000 0.461 286 D N 2.280 122.756 120.400 0.127 0.000 2.466 286 D HA 0.199 4.840 4.640 0.000 0.000 0.262 286 D C 0.910 177.150 176.300 -0.100 0.000 1.177 286 D CA -0.385 53.671 54.000 0.094 0.000 1.035 286 D CB 0.983 41.766 40.800 -0.029 0.000 1.105 286 D HN 0.650 nan 8.370 nan 0.000 0.551 287 S N -1.022 114.288 115.700 -0.649 0.000 2.603 287 S HA -0.086 4.385 4.470 0.000 0.000 0.229 287 S C 0.710 175.076 174.600 -0.390 0.000 0.972 287 S CA -0.036 57.561 58.200 -1.005 0.000 0.935 287 S CB -0.579 61.759 63.200 -1.436 0.000 0.769 287 S HN 0.449 nan 8.310 nan 0.000 0.536 288 N N 1.467 120.033 118.700 -0.223 0.000 2.322 288 N HA 0.090 4.831 4.740 0.000 0.000 0.194 288 N C -0.484 175.000 175.510 -0.043 0.000 1.126 288 N CA 0.351 53.331 53.050 -0.116 0.000 0.845 288 N CB -0.003 38.427 38.487 -0.095 0.000 0.976 288 N HN 0.217 nan 8.380 nan 0.000 0.475 289 D N -0.050 120.350 120.400 -0.001 0.000 3.079 289 D HA -0.179 4.461 4.640 0.000 0.000 0.214 289 D C -0.528 175.866 176.300 0.158 0.000 1.145 289 D CA 0.862 54.907 54.000 0.076 0.000 0.958 289 D CB -1.797 39.013 40.800 0.016 0.000 1.117 289 D HN 0.452 nan 8.370 nan 0.000 0.416 290 N N -0.128 118.623 118.700 0.085 0.000 2.530 290 N HA 0.386 5.126 4.740 0.000 0.000 0.277 290 N C 0.202 175.704 175.510 -0.014 0.000 1.168 290 N CA -0.685 52.403 53.050 0.064 0.000 0.979 290 N CB 0.972 39.447 38.487 -0.021 0.000 1.141 290 N HN 0.057 nan 8.380 nan 0.000 0.459 291 I N 2.036 122.486 120.570 -0.200 0.000 2.588 291 I HA 0.106 4.276 4.170 0.000 0.000 0.283 291 I C 0.178 176.111 176.117 -0.307 0.000 1.119 291 I CA 0.054 61.146 61.300 -0.346 0.000 1.419 291 I CB 0.305 37.943 38.000 -0.605 0.000 1.394 291 I HN 0.589 nan 8.210 nan 0.000 0.562 292 A N 5.007 127.587 122.820 -0.400 0.000 2.477 292 A HA 0.242 4.562 4.320 0.000 0.000 0.246 292 A C 1.349 178.579 177.584 -0.590 0.000 1.078 292 A CA 0.454 52.115 52.037 -0.626 0.000 0.770 292 A CB -0.080 18.148 19.000 -1.288 0.000 1.011 292 A HN 0.984 nan 8.150 nan 0.000 0.494 293 S N 1.762 117.219 115.700 -0.405 0.000 2.419 293 S HA -0.214 4.256 4.470 0.000 0.000 0.235 293 S C 1.262 175.764 174.600 -0.163 0.000 1.019 293 S CA 1.835 59.905 58.200 -0.218 0.000 0.982 293 S CB -0.771 62.376 63.200 -0.088 0.000 0.789 293 S HN 1.173 nan 8.310 nan 0.000 0.490 294 F N 1.582 121.518 119.950 -0.023 0.000 2.710 294 F HA 0.472 4.999 4.527 -0.001 0.000 0.298 294 F C 0.990 176.777 175.800 -0.022 0.000 1.137 294 F CA -0.507 57.483 58.000 -0.016 0.000 1.444 294 F CB -1.028 37.971 39.000 -0.002 0.000 1.111 294 F HN 0.109 nan 8.300 nan 0.000 0.580 295 S N 1.979 117.547 115.700 -0.221 0.000 2.481 295 S HA 0.058 4.528 4.470 0.000 0.000 0.282 295 S C 0.163 174.743 174.600 -0.032 0.000 1.243 295 S CA -0.445 57.716 58.200 -0.065 0.000 1.078 295 S CB -0.832 62.231 63.200 -0.228 0.000 0.916 295 S HN 0.463 nan 8.310 nan 0.000 0.495 296 N N 4.408 123.129 118.700 0.034 0.000 2.357 296 N HA 0.005 4.745 4.740 0.000 0.000 0.257 296 N C 0.302 175.789 175.510 -0.038 0.000 1.250 296 N CA -0.222 52.828 53.050 -0.000 0.000 0.862 296 N CB 0.415 38.908 38.487 0.010 0.000 1.066 296 N HN 0.487 nan 8.380 nan 0.000 0.468 297 R N 1.617 122.086 120.500 -0.052 0.000 2.652 297 R HA 0.083 4.423 4.340 0.000 0.000 0.271 297 R C 0.375 176.662 176.300 -0.022 0.000 1.129 297 R CA -0.185 55.872 56.100 -0.073 0.000 1.200 297 R CB -0.079 30.174 30.300 -0.079 0.000 1.146 297 R HN 0.658 nan 8.270 nan 0.000 0.581 298 Q N -1.247 118.547 119.800 -0.010 0.000 2.463 298 Q HA -0.152 4.188 4.340 0.000 0.000 0.299 298 Q C -2.028 174.107 176.000 0.225 0.000 1.353 298 Q CA 0.204 56.126 55.803 0.199 0.000 0.828 298 Q CB -1.494 27.407 28.738 0.273 0.000 1.157 298 Q HN 0.462 nan 8.270 nan 0.000 0.436 299 P HA -0.009 nan 4.420 nan 0.000 0.279 299 P C 0.328 177.806 177.300 0.297 0.000 1.282 299 P CA -0.031 63.148 63.100 0.131 0.000 0.788 299 P CB 0.769 32.498 31.700 0.048 0.000 1.139 300 E N -0.519 119.861 120.200 0.299 0.000 2.102 300 E HA 0.041 4.391 4.350 0.000 0.000 0.190 300 E C 0.398 177.251 176.600 0.420 0.000 0.971 300 E CA 0.534 57.194 56.400 0.434 0.000 0.821 300 E CB 0.275 30.211 29.700 0.392 0.000 0.777 300 E HN 0.321 nan 8.360 nan 0.000 0.460 301 V N -1.384 118.703 119.914 0.289 0.000 3.182 301 V HA 0.680 4.800 4.120 0.000 0.000 0.308 301 V C -0.590 175.595 176.094 0.153 0.000 1.240 301 V CA -0.519 61.929 62.300 0.247 0.000 1.063 301 V CB 1.605 33.587 31.823 0.266 0.000 1.076 301 V HN 0.181 nan 8.190 nan 0.000 0.446 302 S N -0.167 115.615 115.700 0.137 0.000 2.632 302 S HA 1.042 5.512 4.470 0.000 0.000 0.289 302 S C -0.416 174.235 174.600 0.085 0.000 1.115 302 S CA -0.230 58.032 58.200 0.104 0.000 0.889 302 S CB 1.799 65.067 63.200 0.113 0.000 1.116 302 S HN 2.581 nan 8.310 nan 0.000 0.486 303 A N 0.393 123.241 122.820 0.046 0.000 2.586 303 A HA 0.868 5.189 4.320 0.000 0.000 0.290 303 A C -3.413 174.087 177.584 -0.139 0.000 1.086 303 A CA -1.662 50.346 52.037 -0.049 0.000 0.665 303 A CB 0.412 19.394 19.000 -0.031 0.000 1.279 303 A HN 0.576 nan 8.150 nan 0.000 0.423 304 P HA 0.303 nan 4.420 nan 0.000 0.263 304 P C 0.619 177.777 177.300 -0.237 0.000 1.195 304 P CA 0.981 63.807 63.100 -0.457 0.000 0.762 304 P CB 0.651 31.609 31.700 -1.237 0.000 0.799 305 G N 1.743 110.602 108.800 0.100 0.000 4.596 305 G HA2 0.320 4.281 3.960 0.000 0.000 0.276 305 G HA3 0.320 4.281 3.960 0.000 0.000 0.276 305 G C -0.762 174.359 174.900 0.368 0.000 1.013 305 G CA 0.025 45.261 45.100 0.226 0.000 0.778 305 G HN 0.393 nan 8.290 nan 0.000 0.389 306 V N 0.825 120.995 119.914 0.426 0.000 2.638 306 V HA 0.420 4.541 4.120 0.000 0.000 0.306 306 V C -0.571 175.810 176.094 0.478 0.000 1.052 306 V CA -0.832 61.715 62.300 0.413 0.000 0.885 306 V CB 1.789 33.800 31.823 0.314 0.000 0.999 306 V HN 0.290 nan 8.190 nan 0.000 0.424 307 D N 2.884 123.482 120.400 0.332 0.000 2.705 307 D HA -0.141 4.499 4.640 0.000 0.000 0.240 307 D C -0.327 176.236 176.300 0.437 0.000 1.137 307 D CA 0.655 54.852 54.000 0.327 0.000 0.677 307 D CB -0.409 40.552 40.800 0.267 0.000 1.049 307 D HN 0.255 nan 8.370 nan 0.000 0.427 308 I N 1.299 122.055 120.570 0.309 0.000 2.306 308 I HA 0.179 4.349 4.170 0.000 0.000 0.288 308 I C 0.748 177.018 176.117 0.255 0.000 1.036 308 I CA -0.877 60.568 61.300 0.242 0.000 1.221 308 I CB 0.761 38.911 38.000 0.249 0.000 1.385 308 I HN 0.041 nan 8.210 nan 0.000 0.472 309 L N 6.451 127.778 121.223 0.172 0.000 2.367 309 L HA 0.415 4.755 4.340 0.000 0.000 0.275 309 L C 0.286 177.141 176.870 -0.025 0.000 1.129 309 L CA 1.080 55.997 54.840 0.129 0.000 0.839 309 L CB 0.886 43.010 42.059 0.107 0.000 1.133 309 L HN 0.703 nan 8.230 nan 0.000 0.453 310 S N 1.601 117.213 115.700 -0.147 0.000 2.752 310 S HA 0.638 5.108 4.470 0.000 0.000 0.284 310 S C -0.767 173.797 174.600 -0.059 0.000 1.189 310 S CA -0.083 57.916 58.200 -0.336 0.000 0.835 310 S CB 0.987 63.590 63.200 -0.995 0.000 1.192 310 S HN 0.895 nan 8.310 nan 0.000 0.506 311 T N 0.472 114.955 114.554 -0.117 0.000 2.900 311 T HA 0.516 4.867 4.350 0.000 0.000 0.307 311 T C -0.918 173.800 174.700 0.030 0.000 1.065 311 T CA 0.151 62.119 62.100 -0.220 0.000 1.105 311 T CB 0.378 68.872 68.868 -0.623 0.000 0.979 311 T HN 0.539 nan 8.240 nan 0.000 0.544 312 Y N 1.564 121.793 120.300 -0.118 0.000 2.558 312 Y HA 0.449 4.999 4.550 0.000 0.000 0.333 312 Y C -2.798 173.106 175.900 0.007 0.000 1.125 312 Y CA -2.376 55.727 58.100 0.005 0.000 1.039 312 Y CB 2.182 40.681 38.460 0.066 0.000 1.331 312 Y HN 0.524 nan 8.280 nan 0.000 0.456 313 P HA 0.093 nan 4.420 nan 0.000 0.272 313 P C -1.134 176.130 177.300 -0.059 0.000 1.223 313 P CA 0.087 63.094 63.100 -0.154 0.000 0.784 313 P CB 0.639 32.195 31.700 -0.241 0.000 0.923 314 D N 1.622 121.983 120.400 -0.065 0.000 2.317 314 D HA 0.123 4.764 4.640 0.000 0.000 0.234 314 D C -0.278 175.908 176.300 -0.190 0.000 1.112 314 D CA 0.089 54.015 54.000 -0.124 0.000 0.840 314 D CB -0.322 40.414 40.800 -0.107 0.000 1.078 314 D HN 0.265 nan 8.370 nan 0.000 0.486 315 D N 1.168 121.367 120.400 -0.336 0.000 2.811 315 D HA -0.200 4.440 4.640 0.000 0.000 0.231 315 D C -0.217 175.691 176.300 -0.653 0.000 1.157 315 D CA 0.945 54.479 54.000 -0.776 0.000 0.716 315 D CB -1.201 39.315 40.800 -0.474 0.000 1.077 315 D HN 0.245 nan 8.370 nan 0.000 0.428 316 S N -1.847 113.632 115.700 -0.367 0.000 2.855 316 S HA 0.825 5.295 4.470 0.000 0.000 0.308 316 S C -1.263 173.018 174.600 -0.532 0.000 1.077 316 S CA -0.582 57.465 58.200 -0.255 0.000 0.896 316 S CB 1.186 64.392 63.200 0.010 0.000 1.339 316 S HN 0.098 nan 8.310 nan 0.000 0.602 317 Y N 0.096 120.528 120.300 0.219 0.000 2.544 317 Y HA 0.677 5.227 4.550 0.000 0.000 0.342 317 Y C -0.575 175.384 175.900 0.098 0.000 1.062 317 Y CA -0.736 57.464 58.100 0.166 0.000 1.023 317 Y CB 1.955 40.476 38.460 0.102 0.000 1.308 317 Y HN 0.662 nan 8.280 nan 0.000 0.457 318 E N 0.066 120.371 120.200 0.177 0.000 2.390 318 E HA 0.599 4.949 4.350 0.000 0.000 0.277 318 E C -1.661 175.000 176.600 0.102 0.000 0.939 318 E CA -0.689 55.682 56.400 -0.049 0.000 0.769 318 E CB 2.053 31.336 29.700 -0.696 0.000 1.251 318 E HN 0.510 nan 8.360 nan 0.000 0.450 319 T N 3.233 117.803 114.554 0.026 0.000 2.758 319 T HA 0.632 4.983 4.350 0.000 0.000 0.285 319 T C -0.461 174.227 174.700 -0.020 0.000 0.981 319 T CA -0.454 61.707 62.100 0.102 0.000 0.965 319 T CB 0.137 69.060 68.868 0.092 0.000 0.927 319 T HN 0.296 nan 8.240 nan 0.000 0.448 320 L N 3.218 124.424 121.223 -0.028 0.000 2.283 320 L HA 0.776 5.116 4.340 0.000 0.000 0.259 320 L C -0.367 176.488 176.870 -0.026 0.000 1.027 320 L CA -1.355 53.380 54.840 -0.176 0.000 0.828 320 L CB 2.089 43.822 42.059 -0.544 0.000 1.380 320 L HN 0.592 nan 8.230 nan 0.000 0.425 321 M N 0.072 119.634 119.600 -0.064 0.000 2.501 321 M HA 0.957 5.437 4.480 0.000 0.000 0.293 321 M C -0.639 175.559 176.300 -0.170 0.000 1.192 321 M CA -0.437 54.867 55.300 0.007 0.000 0.886 321 M CB 2.632 35.284 32.600 0.087 0.000 1.710 321 M HN 0.587 nan 8.290 nan 0.000 0.457 322 G N 0.539 109.314 108.800 -0.041 0.000 2.352 322 G HA2 0.213 4.174 3.960 0.000 0.000 0.305 322 G HA3 0.213 4.174 3.960 0.000 0.000 0.305 322 G C -0.033 175.012 174.900 0.241 0.000 1.537 322 G CA -0.146 44.863 45.100 -0.153 0.000 0.959 322 G HN 1.063 nan 8.290 nan 0.000 0.668 323 T N -2.243 112.497 114.554 0.310 0.000 2.929 323 T HA -0.176 4.174 4.350 0.000 0.000 0.271 323 T C 2.466 177.268 174.700 0.169 0.000 1.085 323 T CA 2.631 64.878 62.100 0.244 0.000 1.125 323 T CB -0.950 68.040 68.868 0.204 0.000 0.874 323 T HN 1.532 nan 8.240 nan 0.000 0.494 324 C N -0.216 119.170 119.300 0.145 0.000 2.481 324 C HA 0.376 4.837 4.460 0.000 0.000 0.275 324 C C 2.384 177.443 174.990 0.115 0.000 1.419 324 C CA -0.330 58.780 59.018 0.153 0.000 1.773 324 C CB -1.605 26.279 27.740 0.239 0.000 1.862 324 C HN 0.325 nan 8.230 nan 0.000 0.530 325 M N 1.959 121.627 119.600 0.114 0.000 2.334 325 M HA 0.231 4.711 4.480 0.000 0.000 0.266 325 M C 2.501 178.958 176.300 0.263 0.000 1.082 325 M CA 1.500 56.895 55.300 0.158 0.000 1.141 325 M CB -0.661 32.038 32.600 0.165 0.000 1.380 325 M HN 0.415 nan 8.290 nan 0.000 0.440 326 A N -0.658 122.295 122.820 0.222 0.000 1.898 326 A HA -0.137 4.183 4.320 0.000 0.000 0.216 326 A C 2.222 179.944 177.584 0.230 0.000 1.181 326 A CA 2.184 54.344 52.037 0.205 0.000 0.620 326 A CB -1.248 17.826 19.000 0.124 0.000 0.819 326 A HN 0.433 nan 8.150 nan 0.000 0.442 327 T N 0.980 115.639 114.554 0.175 0.000 2.624 327 T HA -0.130 4.220 4.350 0.000 0.000 0.268 327 T C -0.198 174.578 174.700 0.127 0.000 1.041 327 T CA 2.003 64.189 62.100 0.144 0.000 1.159 327 T CB -1.284 67.661 68.868 0.128 0.000 0.863 327 T HN 0.512 nan 8.240 nan 0.000 0.434 328 P HA -0.104 nan 4.420 nan 0.000 0.220 328 P C 0.777 178.068 177.300 -0.015 0.000 1.148 328 P CA 1.415 64.528 63.100 0.022 0.000 0.803 328 P CB -0.201 31.477 31.700 -0.037 0.000 0.782 329 H N -0.567 118.514 119.070 0.018 0.000 2.353 329 H HA -0.070 4.487 4.556 0.000 0.000 0.300 329 H C 2.020 177.367 175.328 0.031 0.000 1.090 329 H CA 1.355 57.408 56.048 0.008 0.000 1.327 329 H CB -0.925 28.823 29.762 -0.023 0.000 1.383 329 H HN -0.081 nan 8.280 nan 0.000 0.508 330 V N -0.346 119.671 119.914 0.172 0.000 2.379 330 V HA -0.206 3.914 4.120 0.000 0.000 0.245 330 V C 2.257 178.408 176.094 0.095 0.000 1.044 330 V CA 1.748 64.124 62.300 0.127 0.000 1.036 330 V CB -0.421 31.480 31.823 0.131 0.000 0.664 330 V HN 0.394 nan 8.190 nan 0.000 0.453 331 S N 0.907 116.657 115.700 0.082 0.000 2.365 331 S HA -0.191 4.279 4.470 0.000 0.000 0.225 331 S C 2.114 176.741 174.600 0.044 0.000 1.039 331 S CA 1.611 59.846 58.200 0.059 0.000 1.033 331 S CB -0.855 62.374 63.200 0.049 0.000 0.887 331 S HN 0.694 nan 8.310 nan 0.000 0.447 332 G N 1.242 110.066 108.800 0.039 0.000 2.446 332 G HA2 -0.182 3.779 3.960 0.000 0.000 0.217 332 G HA3 -0.182 3.779 3.960 0.000 0.000 0.217 332 G C 1.468 176.409 174.900 0.069 0.000 1.168 332 G CA 1.101 46.226 45.100 0.041 0.000 0.771 332 G HN 0.432 nan 8.290 nan 0.000 0.551 333 V N 0.401 120.363 119.914 0.079 0.000 2.343 333 V HA -0.161 3.959 4.120 0.000 0.000 0.247 333 V C 3.042 179.174 176.094 0.063 0.000 1.051 333 V CA 1.440 63.787 62.300 0.078 0.000 1.036 333 V CB -0.280 31.590 31.823 0.078 0.000 0.654 333 V HN 0.249 nan 8.190 nan 0.000 0.451 334 V N 0.319 120.265 119.914 0.054 0.000 2.343 334 V HA -0.266 3.854 4.120 0.000 0.000 0.247 334 V C 2.714 178.830 176.094 0.037 0.000 1.051 334 V CA 1.992 64.315 62.300 0.039 0.000 1.036 334 V CB -1.127 30.717 31.823 0.036 0.000 0.654 334 V HN 0.566 nan 8.190 nan 0.000 0.451 335 A N -0.144 122.697 122.820 0.036 0.000 1.908 335 A HA -0.190 4.130 4.320 0.000 0.000 0.218 335 A C 2.210 179.826 177.584 0.052 0.000 1.181 335 A CA 1.933 53.987 52.037 0.028 0.000 0.627 335 A CB -0.563 18.445 19.000 0.012 0.000 0.818 335 A HN 0.519 nan 8.150 nan 0.000 0.445 336 L N -0.771 120.498 121.223 0.075 0.000 2.046 336 L HA -0.188 4.152 4.340 0.000 0.000 0.208 336 L C 2.501 179.430 176.870 0.099 0.000 1.077 336 L CA 1.269 56.170 54.840 0.101 0.000 0.747 336 L CB -0.563 41.571 42.059 0.125 0.000 0.896 336 L HN 0.379 nan 8.230 nan 0.000 0.432 337 I N -0.737 119.883 120.570 0.084 0.000 2.142 337 I HA -0.283 3.887 4.170 0.000 0.000 0.240 337 I C 2.758 178.953 176.117 0.129 0.000 1.078 337 I CA 1.186 62.540 61.300 0.090 0.000 1.343 337 I CB -0.299 37.727 38.000 0.043 0.000 1.046 337 I HN 0.342 nan 8.210 nan 0.000 0.405 338 Q N 0.476 120.334 119.800 0.096 0.000 2.119 338 Q HA -0.112 4.228 4.340 0.000 0.000 0.201 338 Q C 2.439 178.551 176.000 0.186 0.000 0.972 338 Q CA 1.681 57.560 55.803 0.127 0.000 0.847 338 Q CB -0.430 28.342 28.738 0.057 0.000 0.903 338 Q HN 0.565 nan 8.270 nan 0.000 0.433 339 A N 1.289 124.186 122.820 0.128 0.000 1.877 339 A HA -0.089 4.231 4.320 0.000 0.000 0.216 339 A C 2.359 180.044 177.584 0.168 0.000 1.186 339 A CA 1.974 54.088 52.037 0.129 0.000 0.620 339 A CB -0.729 18.317 19.000 0.077 0.000 0.822 339 A HN 0.360 nan 8.150 nan 0.000 0.443 340 A N -1.754 121.158 122.820 0.153 0.000 1.902 340 A HA -0.125 4.195 4.320 0.000 0.000 0.217 340 A C 2.182 179.849 177.584 0.139 0.000 1.181 340 A CA 1.696 53.807 52.037 0.123 0.000 0.623 340 A CB -0.827 18.242 19.000 0.115 0.000 0.818 340 A HN 0.674 nan 8.150 nan 0.000 0.443 341 Y N -1.754 118.609 120.300 0.106 0.000 2.200 341 Y HA -0.221 4.329 4.550 0.001 0.000 0.290 341 Y C 2.270 178.271 175.900 0.169 0.000 1.137 341 Y CA 2.063 60.263 58.100 0.167 0.000 1.163 341 Y CB -0.459 38.118 38.460 0.195 0.000 0.988 341 Y HN 0.437 nan 8.280 nan 0.000 0.518 342 Y N 0.859 121.294 120.300 0.224 0.000 2.181 342 Y HA -0.323 4.228 4.550 0.000 0.000 0.288 342 Y C 2.739 178.644 175.900 0.007 0.000 1.146 342 Y CA 2.239 60.412 58.100 0.122 0.000 1.164 342 Y CB -0.596 37.928 38.460 0.106 0.000 0.982 342 Y HN 0.261 nan 8.280 nan 0.000 0.515 343 Q N 0.344 120.217 119.800 0.123 0.000 2.152 343 Q HA -0.297 4.043 4.340 0.000 0.000 0.206 343 Q C 2.269 178.157 176.000 -0.186 0.000 0.985 343 Q CA 2.335 58.138 55.803 0.000 0.000 0.863 343 Q CB -0.178 28.573 28.738 0.023 0.000 0.904 343 Q HN 0.491 nan 8.270 nan 0.000 0.422 344 K N -1.339 118.866 120.400 -0.324 0.000 2.098 344 K HA -0.086 4.234 4.320 0.000 0.000 0.203 344 K C 0.891 177.076 176.600 -0.691 0.000 1.051 344 K CA 1.020 56.944 56.287 -0.604 0.000 0.957 344 K CB 0.171 32.119 32.500 -0.919 0.000 0.738 344 K HN 0.287 nan 8.250 nan 0.000 0.447 345 Y N -1.285 118.795 120.300 -0.367 0.000 2.453 345 Y HA 0.255 4.806 4.550 0.000 0.000 0.247 345 Y C 0.999 176.683 175.900 -0.360 0.000 1.124 345 Y CA -0.079 57.797 58.100 -0.372 0.000 1.243 345 Y CB 1.649 39.790 38.460 -0.531 0.000 1.213 345 Y HN 0.269 nan 8.280 nan 0.000 0.523 346 G N 1.799 110.326 108.800 -0.455 0.000 2.160 346 G HA2 -0.307 3.653 3.960 0.000 0.000 0.251 346 G HA3 -0.307 3.653 3.960 0.000 0.000 0.251 346 G C 0.012 174.610 174.900 -0.503 0.000 1.008 346 G CA 0.822 45.465 45.100 -0.762 0.000 0.724 346 G HN 0.486 nan 8.290 nan 0.000 0.514 347 K N -1.082 119.215 120.400 -0.171 0.000 2.499 347 K HA 0.808 5.128 4.320 0.000 0.000 0.277 347 K C 0.090 176.984 176.600 0.490 0.000 1.025 347 K CA -1.049 55.377 56.287 0.232 0.000 0.900 347 K CB 1.636 34.240 32.500 0.174 0.000 1.494 347 K HN 0.666 nan 8.250 nan 0.000 0.442 348 I N -1.445 119.355 120.570 0.384 0.000 2.947 348 I HA 0.469 4.639 4.170 0.000 0.000 0.314 348 I C -0.700 175.423 176.117 0.010 0.000 1.028 348 I CA -1.526 59.935 61.300 0.268 0.000 1.077 348 I CB 1.199 39.288 38.000 0.148 0.000 1.274 348 I HN 0.466 nan 8.210 nan 0.000 0.485 349 L N 2.681 123.747 121.223 -0.262 0.000 2.417 349 L HA 0.413 4.753 4.340 0.000 0.000 0.268 349 L C -2.083 174.671 176.870 -0.193 0.000 1.158 349 L CA -1.485 53.124 54.840 -0.385 0.000 0.819 349 L CB 0.321 42.065 42.059 -0.525 0.000 1.112 349 L HN 0.436 nan 8.230 nan 0.000 0.458 350 P HA -0.013 nan 4.420 nan 0.000 0.270 350 P C 0.700 177.914 177.300 -0.143 0.000 1.223 350 P CA -0.322 62.694 63.100 -0.140 0.000 0.785 350 P CB 0.661 32.292 31.700 -0.114 0.000 0.923 351 V N 1.025 120.838 119.914 -0.167 0.000 2.307 351 V HA 0.018 4.138 4.120 0.000 0.000 0.245 351 V C 1.322 177.402 176.094 -0.024 0.000 1.045 351 V CA 2.273 64.502 62.300 -0.118 0.000 1.024 351 V CB -1.771 29.919 31.823 -0.221 0.000 0.651 351 V HN 1.085 nan 8.190 nan 0.000 0.449 352 G N 0.226 109.037 108.800 0.018 0.000 2.698 352 G HA2 -0.089 3.871 3.960 0.000 0.000 0.225 352 G HA3 -0.089 3.871 3.960 0.000 0.000 0.225 352 G C -0.094 174.944 174.900 0.229 0.000 1.345 352 G CA -0.068 45.081 45.100 0.082 0.000 0.871 352 G HN 0.978 nan 8.290 nan 0.000 0.540 353 T N -2.731 111.927 114.554 0.175 0.000 2.910 353 T HA 0.677 5.027 4.350 0.000 0.000 0.287 353 T C 1.381 176.251 174.700 0.283 0.000 1.050 353 T CA 0.382 62.624 62.100 0.237 0.000 1.011 353 T CB 1.591 70.539 68.868 0.133 0.000 1.195 353 T HN 1.816 nan 8.240 nan 0.000 0.540 354 F N -0.140 119.925 119.950 0.191 0.000 2.365 354 F HA 0.180 4.708 4.527 0.002 0.000 0.300 354 F C 1.344 177.269 175.800 0.209 0.000 1.090 354 F CA 0.770 58.908 58.000 0.230 0.000 1.408 354 F CB -0.475 38.587 39.000 0.103 0.000 1.060 354 F HN 0.374 nan 8.300 nan 0.000 0.534 355 D N 0.185 120.200 120.400 -0.643 0.000 2.350 355 D HA -0.030 4.610 4.640 0.000 0.000 0.213 355 D C 0.012 176.217 176.300 -0.157 0.000 1.031 355 D CA 0.314 53.976 54.000 -0.564 0.000 0.861 355 D CB -0.385 39.956 40.800 -0.764 0.000 0.926 355 D HN 0.268 nan 8.370 nan 0.000 0.520 356 D N 0.794 121.188 120.400 -0.011 0.000 2.417 356 D HA 0.015 4.655 4.640 0.000 0.000 0.250 356 D C 0.982 177.291 176.300 0.015 0.000 1.166 356 D CA 0.059 54.057 54.000 -0.003 0.000 0.881 356 D CB 0.619 41.404 40.800 -0.027 0.000 1.164 356 D HN 0.198 nan 8.370 nan 0.000 0.467 357 I N 0.521 121.072 120.570 -0.031 0.000 3.491 357 I HA 0.218 4.388 4.170 0.000 0.000 0.332 357 I C 0.059 176.153 176.117 -0.037 0.000 1.565 357 I CA -0.674 60.603 61.300 -0.037 0.000 1.050 357 I CB 0.295 38.291 38.000 -0.006 0.000 1.348 357 I HN 0.074 nan 8.210 nan 0.000 0.506 358 S N 0.290 115.959 115.700 -0.052 0.000 2.747 358 S HA 0.514 4.984 4.470 0.000 0.000 0.300 358 S C 0.470 175.035 174.600 -0.060 0.000 1.121 358 S CA -0.778 57.395 58.200 -0.045 0.000 0.995 358 S CB 1.903 65.078 63.200 -0.042 0.000 1.113 358 S HN 0.332 nan 8.310 nan 0.000 0.547 359 K N 0.413 120.788 120.400 -0.042 0.000 2.437 359 K HA 0.229 4.549 4.320 0.000 0.000 0.198 359 K C 0.162 176.728 176.600 -0.056 0.000 1.024 359 K CA -0.096 56.167 56.287 -0.040 0.000 1.148 359 K CB -0.187 32.308 32.500 -0.007 0.000 0.860 359 K HN 0.406 nan 8.250 nan 0.000 0.515 360 N N 0.575 119.232 118.700 -0.072 0.000 2.280 360 N HA 0.018 4.759 4.740 0.000 0.000 0.192 360 N C -0.404 175.027 175.510 -0.133 0.000 1.109 360 N CA 0.411 53.408 53.050 -0.087 0.000 0.855 360 N CB 1.168 39.619 38.487 -0.061 0.000 0.974 360 N HN -0.058 nan 8.380 nan 0.000 0.482 361 T N -0.794 113.673 114.554 -0.145 0.000 2.932 361 T HA 0.217 4.567 4.350 0.000 0.000 0.318 361 T C 1.286 175.884 174.700 -0.171 0.000 1.265 361 T CA -0.543 61.467 62.100 -0.150 0.000 1.036 361 T CB 2.273 71.076 68.868 -0.108 0.000 1.209 361 T HN -0.360 nan 8.240 nan 0.000 0.484 362 V N 3.274 123.091 119.914 -0.162 0.000 2.252 362 V HA -0.204 3.917 4.120 0.000 0.000 0.249 362 V C 2.533 178.519 176.094 -0.181 0.000 1.056 362 V CA 1.909 64.124 62.300 -0.142 0.000 1.022 362 V CB -0.482 31.285 31.823 -0.093 0.000 0.641 362 V HN 0.724 nan 8.190 nan 0.000 0.445 363 R N -0.025 120.350 120.500 -0.208 0.000 2.092 363 R HA -0.042 4.298 4.340 0.000 0.000 0.231 363 R C 2.486 178.278 176.300 -0.846 0.000 1.119 363 R CA 1.208 57.053 56.100 -0.425 0.000 0.970 363 R CB -0.824 29.362 30.300 -0.190 0.000 0.864 363 R HN 0.602 nan 8.270 nan 0.000 0.440 364 G N 1.327 109.856 108.800 -0.452 0.000 2.446 364 G HA2 -0.255 3.705 3.960 0.000 0.000 0.217 364 G HA3 -0.255 3.705 3.960 0.000 0.000 0.217 364 G C 1.425 176.153 174.900 -0.287 0.000 1.168 364 G CA 0.775 45.669 45.100 -0.344 0.000 0.771 364 G HN 0.168 nan 8.290 nan 0.000 0.551 365 I N 0.295 120.734 120.570 -0.218 0.000 2.226 365 I HA -0.116 4.054 4.170 0.000 0.000 0.245 365 I C 2.735 178.782 176.117 -0.117 0.000 1.100 365 I CA 0.585 61.808 61.300 -0.128 0.000 1.374 365 I CB -0.188 37.759 38.000 -0.089 0.000 1.057 365 I HN 0.128 nan 8.210 nan 0.000 0.413 366 L N -0.170 120.953 121.223 -0.166 0.000 2.042 366 L HA -0.269 4.071 4.340 0.000 0.000 0.210 366 L C 2.764 179.637 176.870 0.006 0.000 1.076 366 L CA 1.293 56.089 54.840 -0.074 0.000 0.749 366 L CB -0.974 41.050 42.059 -0.058 0.000 0.893 366 L HN 0.360 nan 8.230 nan 0.000 0.432 367 H N -0.036 118.946 119.070 -0.147 0.000 2.326 367 H HA -0.110 4.446 4.556 0.001 0.000 0.301 367 H C 2.191 177.422 175.328 -0.161 0.000 1.081 367 H CA 1.765 57.618 56.048 -0.325 0.000 1.334 367 H CB -0.491 28.717 29.762 -0.923 0.000 1.385 367 H HN 0.492 nan 8.280 nan 0.000 0.504 368 I N -0.192 120.369 120.570 -0.014 0.000 2.928 368 I HA -0.032 4.138 4.170 0.000 0.000 0.266 368 I C 1.642 177.776 176.117 0.028 0.000 1.234 368 I CA 1.591 62.897 61.300 0.011 0.000 1.483 368 I CB -0.199 37.795 38.000 -0.010 0.000 1.097 368 I HN 0.126 nan 8.210 nan 0.000 0.455 369 T N -1.302 113.267 114.554 0.025 0.000 3.040 369 T HA 0.509 4.859 4.350 0.000 0.000 0.250 369 T C 0.988 175.713 174.700 0.042 0.000 1.058 369 T CA 0.154 62.270 62.100 0.027 0.000 0.988 369 T CB -0.173 68.705 68.868 0.016 0.000 0.993 369 T HN 0.353 nan 8.240 nan 0.000 0.519 370 A N 1.963 124.826 122.820 0.072 0.000 2.483 370 A HA 0.336 4.656 4.320 0.000 0.000 0.238 370 A C 0.255 177.870 177.584 0.053 0.000 1.070 370 A CA -0.312 51.776 52.037 0.085 0.000 0.770 370 A CB -0.220 18.873 19.000 0.155 0.000 1.008 370 A HN 0.388 nan 8.150 nan 0.000 0.497 371 D N 1.185 121.599 120.400 0.023 0.000 2.342 371 D HA 0.125 4.765 4.640 0.000 0.000 0.260 371 D C -0.474 175.791 176.300 -0.059 0.000 1.278 371 D CA 0.076 54.064 54.000 -0.019 0.000 0.910 371 D CB 0.421 41.201 40.800 -0.034 0.000 1.079 371 D HN 0.409 nan 8.370 nan 0.000 0.496 372 D N 4.567 124.938 120.400 -0.048 0.000 2.455 372 D HA 0.076 4.716 4.640 0.000 0.000 0.234 372 D C 0.035 176.227 176.300 -0.179 0.000 1.224 372 D CA -0.149 53.808 54.000 -0.070 0.000 0.999 372 D CB -0.216 40.581 40.800 -0.005 0.000 1.072 372 D HN 0.409 nan 8.370 nan 0.000 0.514 373 L N 1.915 122.914 121.223 -0.375 0.000 2.488 373 L HA 0.558 4.898 4.340 0.000 0.000 0.249 373 L C 1.785 178.360 176.870 -0.492 0.000 1.151 373 L CA -0.292 54.181 54.840 -0.612 0.000 0.806 373 L CB 0.250 41.565 42.059 -1.242 0.000 1.261 373 L HN 0.556 nan 8.230 nan 0.000 0.484 374 G N 0.328 108.927 108.800 -0.335 0.000 2.575 374 G HA2 -0.219 3.741 3.960 0.000 0.000 0.267 374 G HA3 -0.219 3.741 3.960 0.000 0.000 0.267 374 G C -2.549 172.336 174.900 -0.025 0.000 1.264 374 G CA -0.779 44.324 45.100 0.005 0.000 0.935 374 G HN 0.486 nan 8.290 nan 0.000 0.568 375 P HA 0.341 nan 4.420 nan 0.000 0.268 375 P C 0.505 177.798 177.300 -0.011 0.000 1.208 375 P CA 0.298 63.395 63.100 -0.005 0.000 0.777 375 P CB 0.124 31.825 31.700 0.001 0.000 0.875 376 T N 2.030 116.584 114.554 0.001 0.000 2.905 376 T HA 0.358 4.708 4.350 0.000 0.000 0.299 376 T C 0.784 175.507 174.700 0.039 0.000 1.024 376 T CA 1.207 63.315 62.100 0.014 0.000 1.151 376 T CB -0.499 68.382 68.868 0.022 0.000 0.987 376 T HN 0.888 nan 8.240 nan 0.000 0.535 377 G N 2.544 111.378 108.800 0.057 0.000 2.693 377 G HA2 -0.226 3.734 3.960 0.000 0.000 0.226 377 G HA3 -0.226 3.734 3.960 0.000 0.000 0.226 377 G C -0.383 174.570 174.900 0.089 0.000 1.354 377 G CA -0.324 44.847 45.100 0.118 0.000 0.873 377 G HN 0.964 nan 8.290 nan 0.000 0.562 378 W N 2.267 123.495 121.300 -0.120 0.000 2.295 378 W HA 0.436 5.095 4.660 -0.001 0.000 0.335 378 W C 0.723 177.143 176.519 -0.165 0.000 1.351 378 W CA 1.183 58.326 57.345 -0.337 0.000 1.273 378 W CB 0.196 29.222 29.460 -0.724 0.000 1.214 378 W HN 0.929 nan 8.180 nan 0.000 0.563 379 D N 2.617 122.478 120.400 -0.898 0.000 2.570 379 D HA 0.526 5.166 4.640 0.000 0.000 0.244 379 D C 0.301 175.765 176.300 -1.393 0.000 1.178 379 D CA -0.334 53.194 54.000 -0.788 0.000 0.881 379 D CB 1.222 41.849 40.800 -0.289 0.000 1.453 379 D HN 0.323 nan 8.370 nan 0.000 0.447 380 A N 0.246 122.602 122.820 -0.773 0.000 2.067 380 A HA -0.101 4.220 4.320 0.000 0.000 0.219 380 A C 1.225 178.551 177.584 -0.430 0.000 1.158 380 A CA 1.406 53.128 52.037 -0.525 0.000 0.661 380 A CB -0.568 18.340 19.000 -0.153 0.000 0.801 380 A HN 0.603 nan 8.150 nan 0.000 0.452 381 D N -1.396 118.738 120.400 -0.444 0.000 2.214 381 D HA -0.012 4.628 4.640 0.000 0.000 0.217 381 D C 1.293 177.263 176.300 -0.550 0.000 0.973 381 D CA 1.271 54.968 54.000 -0.506 0.000 0.880 381 D CB -0.391 40.014 40.800 -0.659 0.000 1.031 381 D HN 0.593 nan 8.370 nan 0.000 0.468 382 Y N 0.743 120.847 120.300 -0.326 0.000 2.500 382 Y HA 0.283 4.833 4.550 0.001 0.000 0.270 382 Y C 1.800 177.509 175.900 -0.318 0.000 1.134 382 Y CA 0.267 58.215 58.100 -0.255 0.000 1.293 382 Y CB 0.252 38.599 38.460 -0.189 0.000 1.063 382 Y HN 0.049 nan 8.280 nan 0.000 0.534 383 G N 0.309 108.787 108.800 -0.538 0.000 2.528 383 G HA2 -0.387 3.573 3.960 0.000 0.000 0.262 383 G HA3 -0.387 3.573 3.960 0.000 0.000 0.262 383 G C 0.462 175.003 174.900 -0.598 0.000 1.200 383 G CA 0.470 45.114 45.100 -0.760 0.000 0.951 383 G HN 0.313 nan 8.290 nan 0.000 0.566 384 Y N 1.740 122.036 120.300 -0.007 0.000 2.352 384 Y HA 0.306 4.857 4.550 0.001 0.000 0.292 384 Y C 2.149 178.073 175.900 0.040 0.000 1.136 384 Y CA 2.430 60.586 58.100 0.094 0.000 1.227 384 Y CB -0.140 38.420 38.460 0.165 0.000 0.991 384 Y HN 1.488 nan 8.280 nan 0.000 0.545 385 G N -1.281 107.625 108.800 0.176 0.000 2.350 385 G HA2 0.140 4.100 3.960 0.000 0.000 0.282 385 G HA3 0.140 4.100 3.960 0.000 0.000 0.282 385 G C -1.875 173.093 174.900 0.112 0.000 1.314 385 G CA -0.867 44.286 45.100 0.088 0.000 0.915 385 G HN -0.200 nan 8.290 nan 0.000 0.499 386 V N 1.608 121.557 119.914 0.058 0.000 2.432 386 V HA 0.460 4.580 4.120 0.000 0.000 0.271 386 V C 1.385 177.517 176.094 0.063 0.000 1.046 386 V CA -0.036 62.304 62.300 0.067 0.000 0.945 386 V CB 0.803 32.651 31.823 0.041 0.000 0.992 386 V HN 1.485 nan 8.190 nan 0.000 0.471 387 V N 3.622 123.582 119.914 0.077 0.000 2.814 387 V HA 0.261 4.381 4.120 0.000 0.000 0.307 387 V C 0.296 176.417 176.094 0.044 0.000 1.089 387 V CA -0.196 62.148 62.300 0.073 0.000 1.212 387 V CB 0.033 31.908 31.823 0.086 0.000 0.912 387 V HN 0.951 nan 8.190 nan 0.000 0.497 388 R N 3.144 123.667 120.500 0.038 0.000 2.545 388 R HA 0.615 4.955 4.340 0.000 0.000 0.289 388 R C 0.831 177.140 176.300 0.014 0.000 1.327 388 R CA 0.165 56.276 56.100 0.019 0.000 1.040 388 R CB 1.284 31.593 30.300 0.015 0.000 1.176 388 R HN 1.018 nan 8.270 nan 0.000 0.518 389 A N 3.130 125.955 122.820 0.008 0.000 1.877 389 A HA -0.128 4.192 4.320 0.000 0.000 0.216 389 A C 2.005 179.587 177.584 -0.004 0.000 1.186 389 A CA 1.794 53.837 52.037 0.010 0.000 0.620 389 A CB -0.378 18.628 19.000 0.011 0.000 0.822 389 A HN 0.759 nan 8.150 nan 0.000 0.443 390 A N -0.502 122.299 122.820 -0.032 0.000 1.865 390 A HA -0.101 4.220 4.320 0.000 0.000 0.217 390 A C 2.149 179.728 177.584 -0.009 0.000 1.191 390 A CA 1.907 53.924 52.037 -0.034 0.000 0.623 390 A CB -0.710 18.256 19.000 -0.057 0.000 0.826 390 A HN 0.677 nan 8.150 nan 0.000 0.444 391 L N -0.322 120.898 121.223 -0.004 0.000 2.056 391 L HA -0.026 4.314 4.340 0.000 0.000 0.207 391 L C 2.697 179.576 176.870 0.015 0.000 1.078 391 L CA 2.104 56.947 54.840 0.006 0.000 0.749 391 L CB -0.989 41.073 42.059 0.005 0.000 0.901 391 L HN 0.368 nan 8.230 nan 0.000 0.433 392 A N -1.219 121.611 122.820 0.017 0.000 1.908 392 A HA -0.167 4.153 4.320 0.000 0.000 0.218 392 A C 2.287 179.894 177.584 0.038 0.000 1.181 392 A CA 2.096 54.146 52.037 0.022 0.000 0.627 392 A CB -1.076 17.937 19.000 0.021 0.000 0.818 392 A HN 0.295 nan 8.150 nan 0.000 0.445 393 V N -0.041 119.899 119.914 0.043 0.000 2.427 393 V HA -0.287 3.833 4.120 0.000 0.000 0.248 393 V C 2.699 178.832 176.094 0.065 0.000 1.051 393 V CA 2.198 64.537 62.300 0.064 0.000 1.048 393 V CB -0.744 31.113 31.823 0.057 0.000 0.666 393 V HN 0.771 nan 8.190 nan 0.000 0.456 394 Q N 0.102 119.928 119.800 0.042 0.000 2.030 394 Q HA -0.257 4.083 4.340 0.000 0.000 0.204 394 Q C 2.285 178.318 176.000 0.055 0.000 0.986 394 Q CA 2.281 58.107 55.803 0.039 0.000 0.843 394 Q CB -0.302 28.449 28.738 0.022 0.000 0.904 394 Q HN 0.618 nan 8.270 nan 0.000 0.420 395 A N 0.718 123.568 122.820 0.050 0.000 1.908 395 A HA -0.149 4.171 4.320 0.000 0.000 0.218 395 A C 2.272 179.910 177.584 0.091 0.000 1.181 395 A CA 1.860 53.929 52.037 0.053 0.000 0.627 395 A CB -0.979 18.039 19.000 0.029 0.000 0.818 395 A HN 0.582 nan 8.150 nan 0.000 0.445 396 A N -0.593 122.299 122.820 0.120 0.000 1.930 396 A HA 0.058 4.378 4.320 0.000 0.000 0.217 396 A C 2.012 179.811 177.584 0.358 0.000 1.175 396 A CA 1.434 53.604 52.037 0.222 0.000 0.627 396 A CB -0.427 18.709 19.000 0.227 0.000 0.815 396 A HN 0.476 nan 8.150 nan 0.000 0.443 397 L N -1.052 120.311 121.223 0.233 0.000 2.529 397 L HA 0.185 4.525 4.340 0.000 0.000 0.223 397 L C 1.607 178.571 176.870 0.156 0.000 1.113 397 L CA -0.013 54.939 54.840 0.187 0.000 0.861 397 L CB -0.419 41.673 42.059 0.055 0.000 1.012 397 L HN 0.414 nan 8.230 nan 0.000 0.461 398 G N 0.000 108.877 108.800 0.128 0.000 5.446 398 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 398 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 398 G CA 0.000 45.153 45.100 0.088 0.000 0.502 398 G HN 0.000 nan 8.290 nan 0.000 0.925