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 1cb2_1_A DATA FIRST_RESID 85 DATA SEQUENCE TATYSGNPFV GVTPWANAYY ASEVSSLAIP SLTGAMATAA AAVAKVPSFM DATA SEQUENCE WLDTLDKTPL MEQTLADIRT ANKNGGNYAG QFVVFDLPDR DcAALASNGE DATA SEQUENCE YSIADGGVAK YKNYIDTIRQ IVVEYSDIRT LLVIEPDSLA NLVTNLGTPK DATA SEQUENCE cANAQSAYLE CINYAVTQLN LPNVAMYLDA GHAGWLGWPA NQDPAAQLFA DATA SEQUENCE NVYKNASSPR ALRGLATNVA NYNGWNITSP PSYTQGNAVY NEKLYIHAIG DATA SEQUENCE PLLANHGWSN AFFITDQGRS GKQPTGQQQW GDWcNVIGTG FGIRPSANTG DATA SEQUENCE DSLLDSFVWV KPGGECDGTS DSSAPRFDSH cALPDALQPA PQAGAWFQAY DATA SEQUENCE FVQLLTNANP SFL 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 85 T HA 0.000 nan 4.350 nan 0.000 0.228 85 T C 0.000 174.719 174.700 0.032 0.000 1.109 85 T CA 0.000 62.109 62.100 0.015 0.000 1.349 85 T CB 0.000 68.868 68.868 0.000 0.000 0.612 86 A N 2.515 125.354 122.820 0.032 0.000 1.872 86 A HA 0.319 4.639 4.320 -0.000 0.000 0.214 86 A C 1.677 179.323 177.584 0.103 0.000 1.187 86 A CA 1.634 53.701 52.037 0.051 0.000 0.614 86 A CB -1.183 17.838 19.000 0.035 0.000 0.826 86 A HN 0.977 nan 8.150 nan 0.000 0.442 87 T N -2.334 112.261 114.554 0.067 0.000 2.849 87 T HA 0.519 4.869 4.350 -0.000 0.000 0.284 87 T C -0.304 174.458 174.700 0.103 0.000 1.004 87 T CA 0.162 62.287 62.100 0.042 0.000 1.021 87 T CB 0.791 69.623 68.868 -0.059 0.000 1.013 87 T HN 0.886 nan 8.240 nan 0.000 0.527 88 Y N -1.819 118.461 120.300 -0.034 0.000 2.705 88 Y HA 0.723 5.273 4.550 -0.000 0.000 0.332 88 Y C -0.976 174.905 175.900 -0.031 0.000 1.221 88 Y CA -1.289 56.790 58.100 -0.035 0.000 1.059 88 Y CB 0.903 39.337 38.460 -0.044 0.000 1.298 88 Y HN 0.950 nan 8.280 nan 0.000 0.459 89 S N 0.564 116.306 115.700 0.070 0.000 2.571 89 S HA 0.819 5.289 4.470 -0.000 0.000 0.284 89 S C 0.040 174.720 174.600 0.133 0.000 1.128 89 S CA -0.162 58.044 58.200 0.009 0.000 0.970 89 S CB 1.094 64.284 63.200 -0.017 0.000 1.039 89 S HN 2.531 nan 8.310 nan 0.000 0.485 90 G N 3.049 111.917 108.800 0.114 0.000 2.525 90 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.248 90 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.248 90 G C -0.245 174.687 174.900 0.053 0.000 1.238 90 G CA -0.082 45.038 45.100 0.033 0.000 0.926 90 G HN 1.209 nan 8.290 nan 0.000 0.574 91 N N 2.827 121.480 118.700 -0.079 0.000 2.417 91 N HA 0.184 4.924 4.740 -0.000 0.000 0.272 91 N C -0.293 175.186 175.510 -0.051 0.000 1.304 91 N CA -0.844 52.169 53.050 -0.062 0.000 0.906 91 N CB 1.035 39.480 38.487 -0.071 0.000 1.135 91 N HN 0.297 nan 8.380 nan 0.000 0.483 92 P HA -0.080 nan 4.420 nan 0.000 0.230 92 P C 0.733 177.767 177.300 -0.443 0.000 1.158 92 P CA 0.897 63.612 63.100 -0.642 0.000 0.769 92 P CB -0.009 31.084 31.700 -1.012 0.000 0.807 93 F N -0.434 119.433 119.950 -0.138 0.000 2.743 93 F HA 0.034 4.561 4.527 -0.000 0.000 0.297 93 F C 1.341 177.095 175.800 -0.077 0.000 1.131 93 F CA 0.207 58.153 58.000 -0.090 0.000 1.426 93 F CB -0.156 38.801 39.000 -0.071 0.000 1.116 93 F HN -0.344 nan 8.300 nan 0.000 0.583 94 V N 0.347 120.298 119.914 0.062 0.000 2.461 94 V HA 0.483 4.603 4.120 -0.000 0.000 0.275 94 V C 0.961 177.056 176.094 0.002 0.000 1.047 94 V CA 0.426 62.744 62.300 0.030 0.000 0.955 94 V CB 0.454 32.288 31.823 0.018 0.000 0.988 94 V HN 0.507 nan 8.190 nan 0.000 0.471 95 G N 3.837 112.636 108.800 -0.001 0.000 2.179 95 G HA2 -0.120 3.839 3.960 -0.000 0.000 0.220 95 G HA3 -0.120 3.839 3.960 -0.000 0.000 0.220 95 G C -0.053 174.827 174.900 -0.033 0.000 0.990 95 G CA 0.156 45.248 45.100 -0.013 0.000 0.646 95 G HN 1.517 nan 8.290 nan 0.000 0.517 96 V N -3.528 116.365 119.914 -0.036 0.000 3.182 96 V HA 0.972 5.092 4.120 -0.000 0.000 0.308 96 V C -0.310 175.766 176.094 -0.030 0.000 1.240 96 V CA -0.355 61.913 62.300 -0.054 0.000 1.063 96 V CB 1.777 33.560 31.823 -0.066 0.000 1.076 96 V HN 0.507 nan 8.190 nan 0.000 0.446 97 T N 2.509 117.041 114.554 -0.036 0.000 2.840 97 T HA 0.601 4.951 4.350 -0.000 0.000 0.287 97 T C -2.906 171.908 174.700 0.190 0.000 0.991 97 T CA -1.073 61.050 62.100 0.038 0.000 0.964 97 T CB 1.680 70.511 68.868 -0.062 0.000 0.954 97 T HN 0.684 nan 8.240 nan 0.000 0.438 98 P HA 0.029 nan 4.420 nan 0.000 0.268 98 P C -0.447 177.000 177.300 0.244 0.000 1.205 98 P CA -0.541 62.645 63.100 0.143 0.000 0.771 98 P CB 0.572 32.320 31.700 0.081 0.000 0.858 99 W N 4.144 125.424 121.300 -0.034 0.000 2.287 99 W HA 0.426 5.085 4.660 -0.000 0.000 0.313 99 W C -0.827 175.598 176.519 -0.156 0.000 1.267 99 W CA -0.724 56.538 57.345 -0.138 0.000 1.201 99 W CB 0.734 30.082 29.460 -0.187 0.000 1.196 99 W HN 0.333 nan 8.180 nan 0.000 0.536 100 A N 5.930 128.282 122.820 -0.780 0.000 2.391 100 A HA 0.194 4.513 4.320 -0.000 0.000 0.316 100 A C -0.046 176.983 177.584 -0.926 0.000 1.381 100 A CA -0.587 51.082 52.037 -0.613 0.000 0.998 100 A CB -0.521 18.207 19.000 -0.454 0.000 1.147 100 A HN 0.724 nan 8.150 nan 0.000 0.545 101 N N 1.792 120.239 118.700 -0.423 0.000 2.416 101 N HA 0.297 5.037 4.740 -0.000 0.000 0.246 101 N C 0.960 176.467 175.510 -0.005 0.000 1.260 101 N CA 0.225 53.217 53.050 -0.096 0.000 0.897 101 N CB 0.898 39.507 38.487 0.204 0.000 1.110 101 N HN 0.399 nan 8.380 nan 0.000 0.439 102 A N 0.778 123.675 122.820 0.128 0.000 2.014 102 A HA -0.121 4.199 4.320 -0.000 0.000 0.218 102 A C 1.807 179.463 177.584 0.119 0.000 1.163 102 A CA 0.618 52.709 52.037 0.090 0.000 0.652 102 A CB -1.161 17.920 19.000 0.134 0.000 0.808 102 A HN 0.845 nan 8.150 nan 0.000 0.449 103 Y N -1.192 119.170 120.300 0.104 0.000 2.114 103 Y HA -0.281 4.269 4.550 -0.000 0.000 0.284 103 Y C 2.244 178.206 175.900 0.104 0.000 1.143 103 Y CA 2.384 60.552 58.100 0.113 0.000 1.135 103 Y CB -0.547 38.021 38.460 0.180 0.000 0.980 103 Y HN 0.406 nan 8.280 nan 0.000 0.499 104 Y N 0.361 120.787 120.300 0.209 0.000 2.242 104 Y HA -0.131 4.419 4.550 -0.000 0.000 0.291 104 Y C 2.402 178.257 175.900 -0.075 0.000 1.137 104 Y CA 1.305 59.473 58.100 0.114 0.000 1.181 104 Y CB -0.877 37.722 38.460 0.230 0.000 0.989 104 Y HN 0.190 nan 8.280 nan 0.000 0.527 105 A N -1.119 121.653 122.820 -0.080 0.000 1.933 105 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 105 A C 2.504 179.902 177.584 -0.310 0.000 1.175 105 A CA 1.910 53.821 52.037 -0.210 0.000 0.628 105 A CB -1.290 17.633 19.000 -0.128 0.000 0.814 105 A HN 0.500 nan 8.150 nan 0.000 0.444 106 S N -0.474 115.053 115.700 -0.288 0.000 2.368 106 S HA -0.184 4.286 4.470 -0.000 0.000 0.224 106 S C 1.867 176.170 174.600 -0.496 0.000 1.029 106 S CA 1.548 59.552 58.200 -0.325 0.000 0.988 106 S CB -0.387 62.650 63.200 -0.272 0.000 0.838 106 S HN 0.661 nan 8.310 nan 0.000 0.462 107 E N 0.186 119.990 120.200 -0.660 0.000 2.058 107 E HA -0.119 4.231 4.350 -0.000 0.000 0.194 107 E C 2.176 177.989 176.600 -1.312 0.000 0.997 107 E CA 1.593 57.394 56.400 -0.999 0.000 0.801 107 E CB -0.290 28.785 29.700 -1.041 0.000 0.746 107 E HN 0.403 nan 8.360 nan 0.000 0.450 108 V N 0.969 120.201 119.914 -1.138 0.000 2.261 108 V HA -0.239 3.881 4.120 -0.000 0.000 0.246 108 V C 2.283 178.027 176.094 -0.584 0.000 1.047 108 V CA 1.989 63.727 62.300 -0.937 0.000 1.015 108 V CB -0.433 30.989 31.823 -0.668 0.000 0.642 108 V HN 0.190 nan 8.190 nan 0.000 0.446 109 S N -0.199 115.239 115.700 -0.436 0.000 2.402 109 S HA -0.124 4.346 4.470 -0.000 0.000 0.229 109 S C 2.078 176.515 174.600 -0.272 0.000 1.021 109 S CA 1.579 59.608 58.200 -0.285 0.000 0.974 109 S CB -0.111 62.960 63.200 -0.215 0.000 0.800 109 S HN 0.575 nan 8.310 nan 0.000 0.484 110 S N 0.453 115.950 115.700 -0.339 0.000 2.492 110 S HA 0.342 4.812 4.470 -0.000 0.000 0.218 110 S C 1.412 175.829 174.600 -0.305 0.000 1.016 110 S CA 0.110 58.143 58.200 -0.279 0.000 0.916 110 S CB 0.140 63.192 63.200 -0.248 0.000 0.791 110 S HN 0.329 nan 8.310 nan 0.000 0.513 111 L N -0.243 120.694 121.223 -0.476 0.000 2.577 111 L HA 0.405 4.745 4.340 -0.000 0.000 0.225 111 L C 2.237 178.900 176.870 -0.345 0.000 1.053 111 L CA 0.589 55.153 54.840 -0.460 0.000 0.866 111 L CB -0.259 41.350 42.059 -0.748 0.000 1.132 111 L HN 0.257 nan 8.230 nan 0.000 0.486 112 A N 0.541 123.097 122.820 -0.441 0.000 1.909 112 A HA 0.108 4.428 4.320 -0.000 0.000 0.210 112 A C 2.071 179.620 177.584 -0.058 0.000 1.273 112 A CA 0.325 52.265 52.037 -0.161 0.000 0.654 112 A CB -0.357 18.428 19.000 -0.359 0.000 0.945 112 A HN 0.144 nan 8.150 nan 0.000 0.471 113 I N 0.520 121.018 120.570 -0.119 0.000 2.194 113 I HA -0.189 3.981 4.170 -0.000 0.000 0.246 113 I C -0.744 175.356 176.117 -0.028 0.000 1.093 113 I CA 1.489 62.761 61.300 -0.046 0.000 1.355 113 I CB -1.205 36.750 38.000 -0.074 0.000 1.046 113 I HN 0.208 nan 8.210 nan 0.000 0.413 114 P HA -0.085 nan 4.420 nan 0.000 0.226 114 P C 1.161 178.459 177.300 -0.002 0.000 1.146 114 P CA 1.213 64.293 63.100 -0.033 0.000 0.773 114 P CB 0.078 31.747 31.700 -0.052 0.000 0.772 115 S N -1.849 113.862 115.700 0.019 0.000 2.539 115 S HA 0.215 4.685 4.470 -0.000 0.000 0.221 115 S C 0.640 175.278 174.600 0.063 0.000 0.987 115 S CA -0.119 58.108 58.200 0.047 0.000 0.929 115 S CB 0.020 63.264 63.200 0.073 0.000 0.832 115 S HN 0.044 nan 8.310 nan 0.000 0.492 116 L N 0.517 121.778 121.223 0.063 0.000 2.331 116 L HA 0.631 4.971 4.340 -0.000 0.000 0.268 116 L C 0.183 177.083 176.870 0.050 0.000 1.015 116 L CA -0.413 54.472 54.840 0.074 0.000 0.807 116 L CB 1.760 43.885 42.059 0.110 0.000 1.293 116 L HN -0.063 nan 8.230 nan 0.000 0.451 117 T N -0.599 113.984 114.554 0.048 0.000 2.903 117 T HA 0.579 4.929 4.350 -0.000 0.000 0.299 117 T C 0.300 175.021 174.700 0.035 0.000 1.093 117 T CA 0.496 62.617 62.100 0.035 0.000 1.002 117 T CB 1.556 70.442 68.868 0.028 0.000 1.127 117 T HN 0.971 nan 8.240 nan 0.000 0.488 118 G N 2.585 111.402 108.800 0.028 0.000 2.684 118 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.332 118 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.332 118 G C 1.485 176.406 174.900 0.035 0.000 1.306 118 G CA 1.110 46.226 45.100 0.028 0.000 1.002 118 G HN 1.581 nan 8.290 nan 0.000 0.545 119 A N -1.753 121.088 122.820 0.036 0.000 1.948 119 A HA -0.089 4.231 4.320 -0.000 0.000 0.220 119 A C 2.621 180.238 177.584 0.055 0.000 1.177 119 A CA 3.351 55.414 52.037 0.043 0.000 0.636 119 A CB -0.387 18.636 19.000 0.040 0.000 0.815 119 A HN 0.620 nan 8.150 nan 0.000 0.449 120 M N -0.768 118.864 119.600 0.055 0.000 2.086 120 M HA -0.108 4.372 4.480 -0.000 0.000 0.261 120 M C 2.467 178.819 176.300 0.086 0.000 1.067 120 M CA 1.747 57.087 55.300 0.068 0.000 1.116 120 M CB -1.388 31.252 32.600 0.065 0.000 1.348 120 M HN 0.492 nan 8.290 nan 0.000 0.407 121 A N -1.063 121.802 122.820 0.075 0.000 2.067 121 A HA -0.055 4.265 4.320 -0.000 0.000 0.217 121 A C 2.245 179.864 177.584 0.059 0.000 1.156 121 A CA 1.578 53.660 52.037 0.075 0.000 0.683 121 A CB -0.790 18.241 19.000 0.052 0.000 0.808 121 A HN 0.450 nan 8.150 nan 0.000 0.455 122 T N -0.105 114.481 114.554 0.053 0.000 2.857 122 T HA 0.072 4.422 4.350 -0.000 0.000 0.266 122 T C 2.205 176.942 174.700 0.062 0.000 1.048 122 T CA 1.259 63.387 62.100 0.047 0.000 1.139 122 T CB -0.237 68.657 68.868 0.044 0.000 0.874 122 T HN 0.550 nan 8.240 nan 0.000 0.455 123 A N 1.266 124.133 122.820 0.078 0.000 1.930 123 A HA 0.237 4.557 4.320 -0.000 0.000 0.217 123 A C 2.577 180.172 177.584 0.019 0.000 1.175 123 A CA 1.643 53.737 52.037 0.095 0.000 0.627 123 A CB -0.911 18.163 19.000 0.122 0.000 0.815 123 A HN 0.483 nan 8.150 nan 0.000 0.443 124 A N -0.064 122.802 122.820 0.076 0.000 1.933 124 A HA 0.186 4.506 4.320 -0.000 0.000 0.218 124 A C 2.453 180.081 177.584 0.074 0.000 1.175 124 A CA 1.872 54.015 52.037 0.177 0.000 0.628 124 A CB -0.896 18.300 19.000 0.326 0.000 0.814 124 A HN 1.016 nan 8.150 nan 0.000 0.444 125 A N -0.134 122.703 122.820 0.028 0.000 1.933 125 A HA 0.159 4.479 4.320 -0.000 0.000 0.218 125 A C 2.446 180.021 177.584 -0.014 0.000 1.175 125 A CA 1.974 54.005 52.037 -0.010 0.000 0.628 125 A CB -0.850 18.147 19.000 -0.005 0.000 0.814 125 A HN 1.009 nan 8.150 nan 0.000 0.444 126 A N -0.558 122.263 122.820 0.003 0.000 1.930 126 A HA 0.055 4.375 4.320 -0.000 0.000 0.217 126 A C 2.163 179.727 177.584 -0.032 0.000 1.175 126 A CA 1.565 53.625 52.037 0.038 0.000 0.627 126 A CB -0.817 18.288 19.000 0.175 0.000 0.815 126 A HN 0.386 nan 8.150 nan 0.000 0.443 127 V N 0.026 119.788 119.914 -0.253 0.000 2.392 127 V HA -0.260 3.860 4.120 -0.000 0.000 0.249 127 V C 2.930 179.042 176.094 0.030 0.000 1.059 127 V CA 1.796 63.881 62.300 -0.358 0.000 1.051 127 V CB -1.206 30.353 31.823 -0.440 0.000 0.658 127 V HN 0.590 nan 8.190 nan 0.000 0.455 128 A N -0.516 122.328 122.820 0.040 0.000 2.178 128 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 128 A C 2.132 179.735 177.584 0.031 0.000 1.157 128 A CA 1.340 53.415 52.037 0.063 0.000 0.689 128 A CB -0.348 18.598 19.000 -0.089 0.000 0.787 128 A HN 0.593 nan 8.150 nan 0.000 0.465 129 K N -0.476 119.915 120.400 -0.014 0.000 2.404 129 K HA 0.196 4.516 4.320 -0.000 0.000 0.194 129 K C -0.437 176.111 176.600 -0.087 0.000 1.023 129 K CA -0.084 56.162 56.287 -0.069 0.000 1.094 129 K CB 0.541 33.009 32.500 -0.052 0.000 0.841 129 K HN 0.257 nan 8.250 nan 0.000 0.523 130 V N 4.880 124.750 119.914 -0.074 0.000 2.432 130 V HA 0.111 4.231 4.120 -0.000 0.000 0.271 130 V C -2.063 173.925 176.094 -0.177 0.000 1.046 130 V CA -1.914 60.258 62.300 -0.214 0.000 0.945 130 V CB 0.644 32.208 31.823 -0.432 0.000 0.992 130 V HN 0.108 nan 8.190 nan 0.000 0.471 131 P HA 0.210 nan 4.420 nan 0.000 0.271 131 P C -0.489 176.781 177.300 -0.050 0.000 1.220 131 P CA 0.116 63.139 63.100 -0.130 0.000 0.768 131 P CB 1.078 32.717 31.700 -0.102 0.000 0.848 132 S N 2.102 117.810 115.700 0.012 0.000 2.661 132 S HA 0.650 5.120 4.470 -0.000 0.000 0.285 132 S C -0.600 174.079 174.600 0.131 0.000 1.138 132 S CA -0.759 57.555 58.200 0.190 0.000 0.855 132 S CB 0.742 64.038 63.200 0.160 0.000 1.136 132 S HN 0.117 nan 8.310 nan 0.000 0.484 133 F N 1.390 121.407 119.950 0.111 0.000 2.389 133 F HA 0.457 4.984 4.527 -0.000 0.000 0.337 133 F C 0.619 176.515 175.800 0.160 0.000 1.112 133 F CA -0.707 57.318 58.000 0.042 0.000 1.192 133 F CB 1.169 40.150 39.000 -0.031 0.000 1.185 133 F HN 0.569 nan 8.300 nan 0.000 0.552 134 M N 3.655 123.365 119.600 0.183 0.000 2.238 134 M HA 0.331 4.811 4.480 -0.000 0.000 0.350 134 M C -1.773 174.779 176.300 0.419 0.000 1.138 134 M CA -0.496 54.995 55.300 0.320 0.000 1.040 134 M CB 0.796 33.534 32.600 0.229 0.000 1.639 134 M HN 0.536 nan 8.290 nan 0.000 0.451 135 W N 6.244 127.662 121.300 0.198 0.000 2.338 135 W HA 0.399 5.059 4.660 -0.000 0.000 0.307 135 W C -0.903 175.749 176.519 0.222 0.000 1.167 135 W CA -0.478 57.001 57.345 0.224 0.000 1.208 135 W CB 0.463 30.033 29.460 0.183 0.000 1.228 135 W HN 0.509 nan 8.180 nan 0.000 0.499 136 L N 5.245 126.727 121.223 0.432 0.000 2.512 136 L HA 0.128 4.468 4.340 -0.000 0.000 0.247 136 L C 1.115 178.252 176.870 0.446 0.000 1.204 136 L CA -0.219 54.839 54.840 0.364 0.000 1.153 136 L CB -0.099 42.127 42.059 0.280 0.000 1.415 136 L HN 0.501 nan 8.230 nan 0.000 0.406 137 D N -0.457 120.189 120.400 0.409 0.000 2.355 137 D HA -0.026 4.614 4.640 -0.000 0.000 0.218 137 D C 0.538 176.891 176.300 0.088 0.000 1.004 137 D CA 0.283 54.482 54.000 0.332 0.000 0.880 137 D CB 0.318 41.370 40.800 0.419 0.000 0.911 137 D HN 0.442 nan 8.370 nan 0.000 0.528 138 T N -3.357 111.267 114.554 0.117 0.000 2.843 138 T HA 0.317 4.667 4.350 -0.000 0.000 0.302 138 T C 0.570 175.364 174.700 0.156 0.000 1.232 138 T CA -0.882 61.224 62.100 0.010 0.000 1.009 138 T CB 1.689 70.559 68.868 0.004 0.000 1.254 138 T HN -0.113 nan 8.240 nan 0.000 0.504 139 L N 1.346 122.651 121.223 0.135 0.000 2.093 139 L HA 0.070 4.410 4.340 -0.000 0.000 0.208 139 L C 1.827 178.796 176.870 0.165 0.000 1.085 139 L CA 2.458 57.463 54.840 0.275 0.000 0.755 139 L CB -1.062 41.167 42.059 0.283 0.000 0.904 139 L HN 0.921 nan 8.230 nan 0.000 0.435 140 D N -2.239 118.227 120.400 0.110 0.000 2.392 140 D HA -0.152 4.488 4.640 -0.000 0.000 0.228 140 D C 1.570 177.921 176.300 0.085 0.000 1.003 140 D CA 0.504 54.556 54.000 0.086 0.000 0.917 140 D CB -0.241 40.601 40.800 0.070 0.000 0.890 140 D HN 0.180 nan 8.370 nan 0.000 0.532 141 K N 0.052 120.514 120.400 0.104 0.000 2.361 141 K HA 0.016 4.335 4.320 -0.000 0.000 0.196 141 K C 1.971 178.603 176.600 0.055 0.000 1.039 141 K CA 0.997 57.337 56.287 0.090 0.000 1.001 141 K CB -0.169 32.409 32.500 0.129 0.000 0.795 141 K HN 0.467 nan 8.250 nan 0.000 0.495 142 T N -0.525 114.056 114.554 0.045 0.000 2.759 142 T HA -0.086 4.264 4.350 -0.000 0.000 0.269 142 T C -1.105 173.570 174.700 -0.042 0.000 1.042 142 T CA 0.693 62.773 62.100 -0.032 0.000 1.140 142 T CB -1.259 67.580 68.868 -0.050 0.000 0.864 142 T HN 0.018 nan 8.240 nan 0.000 0.455 143 P HA 0.059 nan 4.420 nan 0.000 0.220 143 P C 1.597 178.900 177.300 0.005 0.000 1.148 143 P CA 0.341 63.445 63.100 0.006 0.000 0.803 143 P CB -0.209 31.510 31.700 0.031 0.000 0.782 144 L N -1.335 119.900 121.223 0.019 0.000 2.141 144 L HA -0.028 4.312 4.340 -0.000 0.000 0.209 144 L C 2.275 179.161 176.870 0.027 0.000 1.094 144 L CA 1.621 56.488 54.840 0.046 0.000 0.763 144 L CB -0.952 41.138 42.059 0.052 0.000 0.908 144 L HN -0.065 nan 8.230 nan 0.000 0.437 145 M N -1.166 118.391 119.600 -0.071 0.000 2.132 145 M HA -0.222 4.257 4.480 -0.000 0.000 0.263 145 M C 2.171 178.307 176.300 -0.273 0.000 1.065 145 M CA 1.897 57.037 55.300 -0.267 0.000 1.122 145 M CB -0.135 32.140 32.600 -0.542 0.000 1.365 145 M HN 0.356 nan 8.290 nan 0.000 0.411 146 E N -0.153 119.926 120.200 -0.202 0.000 2.106 146 E HA -0.281 4.069 4.350 -0.000 0.000 0.192 146 E C 2.033 178.521 176.600 -0.186 0.000 0.984 146 E CA 1.414 57.692 56.400 -0.203 0.000 0.806 146 E CB -0.119 29.550 29.700 -0.051 0.000 0.750 146 E HN 0.667 nan 8.360 nan 0.000 0.458 147 Q N -0.309 119.449 119.800 -0.070 0.000 2.084 147 Q HA -0.139 4.201 4.340 -0.000 0.000 0.202 147 Q C 1.894 177.877 176.000 -0.028 0.000 0.978 147 Q CA 1.957 57.750 55.803 -0.016 0.000 0.844 147 Q CB 0.065 28.830 28.738 0.045 0.000 0.898 147 Q HN 0.244 nan 8.270 nan 0.000 0.426 148 T N 1.277 115.837 114.554 0.009 0.000 2.777 148 T HA -0.093 4.257 4.350 -0.000 0.000 0.266 148 T C 1.786 176.387 174.700 -0.165 0.000 1.040 148 T CA 1.061 63.199 62.100 0.063 0.000 1.141 148 T CB -0.147 68.899 68.868 0.296 0.000 0.868 148 T HN 0.239 nan 8.240 nan 0.000 0.444 149 L N 0.707 121.761 121.223 -0.283 0.000 2.141 149 L HA -0.037 4.303 4.340 -0.000 0.000 0.209 149 L C 2.985 179.509 176.870 -0.577 0.000 1.094 149 L CA 0.940 55.448 54.840 -0.553 0.000 0.763 149 L CB -0.614 40.862 42.059 -0.972 0.000 0.908 149 L HN 0.241 nan 8.230 nan 0.000 0.437 150 A N -0.032 122.532 122.820 -0.427 0.000 1.902 150 A HA -0.222 4.097 4.320 -0.000 0.000 0.217 150 A C 1.916 179.428 177.584 -0.119 0.000 1.181 150 A CA 1.906 53.881 52.037 -0.103 0.000 0.623 150 A CB -0.481 18.522 19.000 0.005 0.000 0.818 150 A HN 0.321 nan 8.150 nan 0.000 0.443 151 D N 0.124 120.418 120.400 -0.178 0.000 2.123 151 D HA -0.130 4.510 4.640 -0.000 0.000 0.196 151 D C 1.818 177.814 176.300 -0.506 0.000 0.992 151 D CA 1.225 55.101 54.000 -0.206 0.000 0.833 151 D CB -0.349 40.414 40.800 -0.062 0.000 0.954 151 D HN 0.543 nan 8.370 nan 0.000 0.455 152 I N 0.292 120.407 120.570 -0.759 0.000 2.252 152 I HA -0.218 3.952 4.170 -0.000 0.000 0.245 152 I C 2.532 178.451 176.117 -0.330 0.000 1.102 152 I CA 0.719 61.512 61.300 -0.844 0.000 1.385 152 I CB -0.146 37.408 38.000 -0.745 0.000 1.064 152 I HN -0.088 nan 8.210 nan 0.000 0.414 153 R N 0.752 121.149 120.500 -0.172 0.000 2.091 153 R HA -0.162 4.178 4.340 -0.000 0.000 0.238 153 R C 2.231 178.518 176.300 -0.022 0.000 1.136 153 R CA 2.157 58.247 56.100 -0.017 0.000 0.959 153 R CB -0.379 29.993 30.300 0.120 0.000 0.856 153 R HN 0.208 nan 8.270 nan 0.000 0.437 154 T N 0.316 114.844 114.554 -0.043 0.000 2.777 154 T HA -0.073 4.277 4.350 -0.000 0.000 0.266 154 T C 1.802 176.507 174.700 0.009 0.000 1.040 154 T CA 1.289 63.384 62.100 -0.009 0.000 1.141 154 T CB -0.373 68.494 68.868 -0.001 0.000 0.868 154 T HN 0.474 nan 8.240 nan 0.000 0.444 155 A N 2.357 125.161 122.820 -0.027 0.000 1.908 155 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 155 A C 2.212 179.887 177.584 0.152 0.000 1.181 155 A CA 1.712 53.803 52.037 0.089 0.000 0.627 155 A CB -0.612 18.407 19.000 0.033 0.000 0.818 155 A HN 0.392 nan 8.150 nan 0.000 0.445 156 N N -0.426 118.328 118.700 0.091 0.000 2.270 156 N HA -0.082 4.658 4.740 -0.000 0.000 0.181 156 N C 1.612 177.147 175.510 0.043 0.000 1.016 156 N CA 1.121 54.215 53.050 0.072 0.000 0.870 156 N CB -0.258 38.252 38.487 0.038 0.000 0.979 156 N HN 0.415 nan 8.380 nan 0.000 0.431 157 K N 1.219 121.639 120.400 0.033 0.000 2.365 157 K HA 0.075 4.395 4.320 -0.000 0.000 0.199 157 K C -0.040 176.581 176.600 0.035 0.000 1.045 157 K CA 0.602 56.904 56.287 0.026 0.000 0.962 157 K CB -0.131 32.381 32.500 0.020 0.000 0.759 157 K HN 0.269 nan 8.250 nan 0.000 0.469 158 N N -0.220 118.512 118.700 0.053 0.000 2.453 158 N HA 0.092 4.832 4.740 -0.000 0.000 0.270 158 N C 0.066 175.622 175.510 0.077 0.000 1.195 158 N CA 0.264 53.352 53.050 0.064 0.000 0.902 158 N CB 0.709 39.241 38.487 0.076 0.000 1.186 158 N HN 0.296 nan 8.380 nan 0.000 0.510 159 G N 0.011 108.845 108.800 0.056 0.000 2.184 159 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.264 159 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.264 159 G C 0.533 175.453 174.900 0.033 0.000 0.975 159 G CA -0.003 45.122 45.100 0.042 0.000 0.642 159 G HN 0.517 nan 8.290 nan 0.000 0.536 160 G N -0.533 108.319 108.800 0.085 0.000 2.616 160 G HA2 0.443 4.403 3.960 -0.000 0.000 0.268 160 G HA3 0.443 4.403 3.960 -0.000 0.000 0.268 160 G C 0.129 174.948 174.900 -0.134 0.000 1.213 160 G CA 0.362 45.469 45.100 0.013 0.000 0.926 160 G HN 0.787 nan 8.290 nan 0.000 0.523 161 N N -1.181 117.267 118.700 -0.419 0.000 2.651 161 N HA 0.198 4.938 4.740 -0.000 0.000 0.277 161 N C -1.576 173.740 175.510 -0.322 0.000 1.787 161 N CA -0.498 52.395 53.050 -0.262 0.000 0.818 161 N CB 0.069 38.429 38.487 -0.212 0.000 1.316 161 N HN 0.367 nan 8.380 nan 0.000 0.503 162 Y N 0.265 120.582 120.300 0.028 0.000 2.376 162 Y HA 0.767 5.317 4.550 -0.000 0.000 0.325 162 Y C 0.646 176.531 175.900 -0.025 0.000 1.199 162 Y CA -0.900 57.230 58.100 0.049 0.000 1.206 162 Y CB 1.565 40.118 38.460 0.154 0.000 1.229 162 Y HN 0.206 nan 8.280 nan 0.000 0.480 163 A N 0.669 123.582 122.820 0.155 0.000 2.374 163 A HA 0.776 5.096 4.320 -0.000 0.000 0.317 163 A C -0.074 177.490 177.584 -0.032 0.000 1.094 163 A CA -0.385 51.655 52.037 0.005 0.000 0.765 163 A CB 0.773 19.721 19.000 -0.087 0.000 1.268 163 A HN 0.883 nan 8.150 nan 0.000 0.438 164 G N -0.049 108.700 108.800 -0.086 0.000 2.448 164 G HA2 0.542 4.502 3.960 -0.000 0.000 0.285 164 G HA3 0.542 4.502 3.960 -0.000 0.000 0.285 164 G C -0.666 173.971 174.900 -0.437 0.000 1.176 164 G CA -0.331 44.642 45.100 -0.212 0.000 0.852 164 G HN 0.713 nan 8.290 nan 0.000 0.530 165 Q N 0.415 119.655 119.800 -0.934 0.000 2.290 165 Q HA 0.468 4.808 4.340 -0.000 0.000 0.269 165 Q C -1.591 173.725 176.000 -1.139 0.000 1.016 165 Q CA -0.291 54.861 55.803 -1.085 0.000 0.754 165 Q CB 2.243 30.037 28.738 -1.574 0.000 1.247 165 Q HN 0.482 nan 8.270 nan 0.000 0.451 166 F N 0.136 120.059 119.950 -0.045 0.000 2.603 166 F HA 0.618 5.145 4.527 0.000 0.000 0.317 166 F C -0.286 175.623 175.800 0.181 0.000 1.066 166 F CA -1.172 56.885 58.000 0.096 0.000 0.941 166 F CB 1.582 40.602 39.000 0.034 0.000 1.291 166 F HN 0.099 nan 8.300 nan 0.000 0.472 167 V N 2.550 122.575 119.914 0.185 0.000 2.409 167 V HA 0.399 4.519 4.120 -0.000 0.000 0.291 167 V C -0.621 175.522 176.094 0.082 0.000 1.020 167 V CA -0.901 61.325 62.300 -0.124 0.000 0.848 167 V CB 1.562 32.805 31.823 -0.967 0.000 0.990 167 V HN 0.523 nan 8.190 nan 0.000 0.430 168 V N 5.976 125.980 119.914 0.151 0.000 2.408 168 V HA 0.361 4.481 4.120 -0.000 0.000 0.267 168 V C -0.419 175.936 176.094 0.435 0.000 1.047 168 V CA 0.001 62.490 62.300 0.316 0.000 0.937 168 V CB 0.625 32.615 31.823 0.278 0.000 0.999 168 V HN 0.733 nan 8.190 nan 0.000 0.472 169 F N 4.922 125.051 119.950 0.299 0.000 3.065 169 F HA 0.487 5.014 4.527 0.000 0.000 0.383 169 F C -0.286 175.605 175.800 0.151 0.000 1.259 169 F CA -0.807 57.326 58.000 0.221 0.000 1.217 169 F CB 1.067 40.230 39.000 0.272 0.000 2.042 169 F HN 0.498 nan 8.300 nan 0.000 0.641 170 D N 3.359 123.740 120.400 -0.032 0.000 3.120 170 D HA 0.148 4.787 4.640 -0.000 0.000 0.331 170 D C -0.883 175.391 176.300 -0.043 0.000 1.595 170 D CA -0.008 53.825 54.000 -0.279 0.000 0.771 170 D CB 0.275 40.621 40.800 -0.755 0.000 1.274 170 D HN 0.253 nan 8.370 nan 0.000 0.503 171 L N 2.318 123.444 121.223 -0.162 0.000 2.485 171 L HA 0.297 4.637 4.340 -0.000 0.000 0.275 171 L C -1.914 174.865 176.870 -0.151 0.000 1.207 171 L CA -0.968 53.642 54.840 -0.382 0.000 0.855 171 L CB 0.209 41.959 42.059 -0.515 0.000 1.114 171 L HN 0.033 nan 8.230 nan 0.000 0.485 172 P HA 0.045 nan 4.420 nan 0.000 0.271 172 P C -0.644 176.723 177.300 0.111 0.000 1.216 172 P CA -0.045 63.101 63.100 0.076 0.000 0.776 172 P CB 0.476 32.215 31.700 0.064 0.000 0.881 173 D N -0.800 119.655 120.400 0.091 0.000 2.723 173 D HA -0.177 4.463 4.640 -0.000 0.000 0.236 173 D C 0.454 176.850 176.300 0.162 0.000 1.138 173 D CA 0.896 54.957 54.000 0.102 0.000 0.676 173 D CB -1.333 39.517 40.800 0.084 0.000 1.069 173 D HN 0.486 nan 8.370 nan 0.000 0.430 174 R N 0.888 121.416 120.500 0.047 0.000 2.638 174 R HA 0.029 4.369 4.340 -0.000 0.000 0.268 174 R C 0.145 176.473 176.300 0.046 0.000 1.006 174 R CA 0.561 56.642 56.100 -0.032 0.000 1.088 174 R CB 0.372 30.524 30.300 -0.246 0.000 0.950 174 R HN 0.161 nan 8.270 nan 0.000 0.419 175 D N 2.147 122.608 120.400 0.102 0.000 2.737 175 D HA -0.190 4.450 4.640 -0.000 0.000 0.238 175 D C 1.313 177.684 176.300 0.119 0.000 1.157 175 D CA 0.930 55.001 54.000 0.118 0.000 0.694 175 D CB -1.555 39.274 40.800 0.048 0.000 1.021 175 D HN 0.792 nan 8.370 nan 0.000 0.420 176 c N -0.929 117.791 118.600 0.198 0.000 2.403 176 c HA 0.043 4.613 4.570 -0.000 0.000 0.282 176 c C 2.492 176.617 174.090 0.059 0.000 1.297 176 c CA 1.016 57.408 56.329 0.105 0.000 1.785 176 c CB -0.852 41.681 42.510 0.039 0.000 1.963 176 c HN 0.633 nan 8.230 nan 0.000 0.507 177 A N 0.600 123.460 122.820 0.067 0.000 2.238 177 A HA 0.652 4.972 4.320 -0.000 0.000 0.210 177 A C 1.398 178.986 177.584 0.006 0.000 1.179 177 A CA 0.679 52.735 52.037 0.031 0.000 0.827 177 A CB -0.642 18.377 19.000 0.031 0.000 0.856 177 A HN 0.929 nan 8.150 nan 0.000 0.488 178 A N -0.433 122.386 122.820 -0.002 0.000 2.386 178 A HA 0.537 4.857 4.320 -0.000 0.000 0.248 178 A C 1.009 178.621 177.584 0.047 0.000 1.082 178 A CA -0.372 51.663 52.037 -0.003 0.000 0.789 178 A CB 0.114 19.091 19.000 -0.039 0.000 1.025 178 A HN 0.379 nan 8.150 nan 0.000 0.490 179 L N 0.479 121.757 121.223 0.092 0.000 2.291 179 L HA 0.121 4.461 4.340 -0.000 0.000 0.214 179 L C 1.139 178.041 176.870 0.053 0.000 1.120 179 L CA 1.238 56.126 54.840 0.079 0.000 0.799 179 L CB -0.328 41.788 42.059 0.096 0.000 0.925 179 L HN 0.775 nan 8.230 nan 0.000 0.446 180 A N -0.970 121.885 122.820 0.059 0.000 2.437 180 A HA 0.581 4.901 4.320 -0.000 0.000 0.293 180 A C -0.814 176.798 177.584 0.048 0.000 1.038 180 A CA -0.311 51.756 52.037 0.050 0.000 0.708 180 A CB 1.655 20.684 19.000 0.048 0.000 1.251 180 A HN -0.097 nan 8.150 nan 0.000 0.409 181 S N 1.133 116.852 115.700 0.032 0.000 2.503 181 S HA 0.450 4.920 4.470 -0.000 0.000 0.301 181 S C 0.092 174.695 174.600 0.004 0.000 1.087 181 S CA -0.690 57.519 58.200 0.015 0.000 1.042 181 S CB 0.774 63.976 63.200 0.003 0.000 1.043 181 S HN 0.633 nan 8.310 nan 0.000 0.489 182 N N 2.648 121.343 118.700 -0.007 0.000 2.270 182 N HA 0.121 4.861 4.740 -0.000 0.000 0.198 182 N C 0.698 176.161 175.510 -0.078 0.000 1.117 182 N CA -0.001 53.038 53.050 -0.018 0.000 0.845 182 N CB 0.404 38.900 38.487 0.014 0.000 0.980 182 N HN 0.716 nan 8.380 nan 0.000 0.486 183 G N 1.645 110.376 108.800 -0.115 0.000 2.313 183 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.250 183 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.250 183 G C 1.061 175.859 174.900 -0.170 0.000 1.281 183 G CA -0.222 44.768 45.100 -0.184 0.000 0.917 183 G HN 0.364 nan 8.290 nan 0.000 0.501 184 E N 1.461 121.483 120.200 -0.295 0.000 2.285 184 E HA -0.057 4.293 4.350 -0.000 0.000 0.194 184 E C -0.503 175.939 176.600 -0.263 0.000 0.997 184 E CA 0.418 56.616 56.400 -0.336 0.000 0.845 184 E CB 0.010 29.403 29.700 -0.511 0.000 0.782 184 E HN 0.486 nan 8.360 nan 0.000 0.491 185 Y N 1.000 121.271 120.300 -0.048 0.000 2.387 185 Y HA 0.475 5.025 4.550 0.000 0.000 0.336 185 Y C -0.058 175.830 175.900 -0.020 0.000 1.067 185 Y CA -1.873 56.211 58.100 -0.026 0.000 1.114 185 Y CB 2.045 40.494 38.460 -0.019 0.000 1.208 185 Y HN -0.129 nan 8.280 nan 0.000 0.458 186 S N 2.581 118.385 115.700 0.174 0.000 2.500 186 S HA 0.474 4.944 4.470 -0.000 0.000 0.301 186 S C 0.895 175.533 174.600 0.063 0.000 1.092 186 S CA -0.627 57.626 58.200 0.089 0.000 1.030 186 S CB 0.473 63.710 63.200 0.062 0.000 1.031 186 S HN 0.680 nan 8.310 nan 0.000 0.483 187 I N 3.759 124.355 120.570 0.043 0.000 2.264 187 I HA -0.176 3.994 4.170 -0.000 0.000 0.248 187 I C 2.662 178.783 176.117 0.008 0.000 1.111 187 I CA 1.619 62.931 61.300 0.019 0.000 1.382 187 I CB -0.480 37.524 38.000 0.006 0.000 1.060 187 I HN 0.804 nan 8.210 nan 0.000 0.418 188 A N -0.410 122.417 122.820 0.011 0.000 1.972 188 A HA -0.229 4.090 4.320 -0.000 0.000 0.219 188 A C 1.424 179.013 177.584 0.009 0.000 1.169 188 A CA 1.696 53.737 52.037 0.007 0.000 0.635 188 A CB -0.353 18.652 19.000 0.008 0.000 0.810 188 A HN 0.380 nan 8.150 nan 0.000 0.446 189 D N -0.952 119.459 120.400 0.018 0.000 3.133 189 D HA 0.397 5.037 4.640 -0.000 0.000 0.288 189 D C 0.853 177.157 176.300 0.006 0.000 1.346 189 D CA 0.369 54.380 54.000 0.018 0.000 0.934 189 D CB -0.777 40.044 40.800 0.035 0.000 1.042 189 D HN 0.449 nan 8.370 nan 0.000 0.506 190 G N 0.791 109.584 108.800 -0.012 0.000 2.341 190 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.292 190 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.292 190 G C 1.185 176.042 174.900 -0.071 0.000 1.021 190 G CA 0.318 45.395 45.100 -0.038 0.000 0.905 190 G HN 0.558 nan 8.290 nan 0.000 0.508 191 G N -1.020 107.756 108.800 -0.041 0.000 2.422 191 G HA2 0.011 3.971 3.960 -0.000 0.000 0.218 191 G HA3 0.011 3.971 3.960 -0.000 0.000 0.218 191 G C 1.757 176.611 174.900 -0.078 0.000 1.140 191 G CA 1.599 46.667 45.100 -0.054 0.000 0.775 191 G HN 0.778 nan 8.290 nan 0.000 0.545 192 V N 1.418 121.303 119.914 -0.047 0.000 2.307 192 V HA -0.114 4.006 4.120 -0.000 0.000 0.245 192 V C 3.297 179.350 176.094 -0.069 0.000 1.045 192 V CA 2.006 64.287 62.300 -0.032 0.000 1.024 192 V CB -0.735 31.068 31.823 -0.034 0.000 0.651 192 V HN 0.456 nan 8.190 nan 0.000 0.449 193 A N -0.648 122.107 122.820 -0.107 0.000 1.930 193 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 193 A C 2.302 179.780 177.584 -0.176 0.000 1.175 193 A CA 1.454 53.411 52.037 -0.135 0.000 0.627 193 A CB -0.357 18.580 19.000 -0.106 0.000 0.815 193 A HN 0.427 nan 8.150 nan 0.000 0.443 194 K N -1.508 118.732 120.400 -0.268 0.000 2.097 194 K HA -0.140 4.180 4.320 -0.000 0.000 0.205 194 K C 1.875 178.212 176.600 -0.439 0.000 1.050 194 K CA 1.507 57.495 56.287 -0.498 0.000 0.938 194 K CB -0.452 31.445 32.500 -1.004 0.000 0.718 194 K HN 0.654 nan 8.250 nan 0.000 0.442 195 Y N 2.374 122.446 120.300 -0.379 0.000 2.242 195 Y HA -0.169 4.381 4.550 -0.000 0.000 0.291 195 Y C 1.962 177.891 175.900 0.047 0.000 1.137 195 Y CA 1.566 59.613 58.100 -0.088 0.000 1.181 195 Y CB 0.098 38.541 38.460 -0.029 0.000 0.989 195 Y HN -0.057 nan 8.280 nan 0.000 0.527 196 K N -0.242 120.102 120.400 -0.092 0.000 2.147 196 K HA -0.206 4.114 4.320 -0.000 0.000 0.205 196 K C 1.869 178.424 176.600 -0.074 0.000 1.049 196 K CA 1.424 57.551 56.287 -0.267 0.000 0.936 196 K CB -0.291 31.829 32.500 -0.632 0.000 0.722 196 K HN 0.305 nan 8.250 nan 0.000 0.446 197 N N 0.675 119.333 118.700 -0.071 0.000 2.188 197 N HA -0.215 4.525 4.740 -0.000 0.000 0.184 197 N C 1.745 177.272 175.510 0.029 0.000 1.018 197 N CA 1.023 54.064 53.050 -0.014 0.000 0.858 197 N CB -0.193 38.276 38.487 -0.029 0.000 0.989 197 N HN 0.238 nan 8.380 nan 0.000 0.426 198 Y N 0.558 120.789 120.300 -0.115 0.000 2.181 198 Y HA -0.089 4.461 4.550 -0.000 0.000 0.288 198 Y C 1.823 177.640 175.900 -0.137 0.000 1.146 198 Y CA 1.451 59.495 58.100 -0.093 0.000 1.164 198 Y CB -0.204 38.214 38.460 -0.071 0.000 0.982 198 Y HN 0.073 nan 8.280 nan 0.000 0.515 199 I N 0.585 121.034 120.570 -0.202 0.000 2.315 199 I HA -0.231 3.939 4.170 -0.000 0.000 0.248 199 I C 1.701 177.759 176.117 -0.099 0.000 1.117 199 I CA 1.378 62.555 61.300 -0.204 0.000 1.404 199 I CB -1.219 36.800 38.000 0.032 0.000 1.071 199 I HN 0.295 nan 8.210 nan 0.000 0.419 200 D N 0.607 121.012 120.400 0.008 0.000 2.144 200 D HA -0.127 4.513 4.640 -0.000 0.000 0.199 200 D C 2.163 178.431 176.300 -0.055 0.000 0.984 200 D CA 1.419 55.424 54.000 0.010 0.000 0.834 200 D CB -0.192 40.639 40.800 0.052 0.000 0.955 200 D HN 0.250 nan 8.370 nan 0.000 0.465 201 T N 0.963 115.467 114.554 -0.084 0.000 2.777 201 T HA -0.045 4.305 4.350 -0.000 0.000 0.266 201 T C 2.227 176.840 174.700 -0.146 0.000 1.040 201 T CA 0.532 62.575 62.100 -0.095 0.000 1.141 201 T CB -0.131 68.690 68.868 -0.079 0.000 0.868 201 T HN 0.160 nan 8.240 nan 0.000 0.444 202 I N 0.731 121.157 120.570 -0.240 0.000 2.315 202 I HA -0.144 4.026 4.170 -0.000 0.000 0.248 202 I C 2.823 178.840 176.117 -0.167 0.000 1.117 202 I CA 1.116 62.263 61.300 -0.256 0.000 1.404 202 I CB -0.379 37.405 38.000 -0.360 0.000 1.071 202 I HN 0.144 nan 8.210 nan 0.000 0.419 203 R N 1.068 121.486 120.500 -0.136 0.000 2.083 203 R HA -0.230 4.110 4.340 -0.000 0.000 0.237 203 R C 2.271 178.529 176.300 -0.070 0.000 1.137 203 R CA 1.727 57.768 56.100 -0.098 0.000 0.951 203 R CB -0.192 30.052 30.300 -0.094 0.000 0.851 203 R HN 0.408 nan 8.270 nan 0.000 0.434 204 Q N 0.097 119.859 119.800 -0.063 0.000 2.135 204 Q HA -0.165 4.174 4.340 -0.000 0.000 0.204 204 Q C 2.191 178.177 176.000 -0.024 0.000 0.981 204 Q CA 1.843 57.621 55.803 -0.042 0.000 0.856 204 Q CB -0.075 28.641 28.738 -0.036 0.000 0.902 204 Q HN 0.469 nan 8.270 nan 0.000 0.425 205 I N -0.340 120.213 120.570 -0.028 0.000 2.202 205 I HA -0.249 3.921 4.170 -0.000 0.000 0.242 205 I C 2.148 178.312 176.117 0.078 0.000 1.091 205 I CA 0.833 62.149 61.300 0.027 0.000 1.368 205 I CB -0.248 37.711 38.000 -0.068 0.000 1.058 205 I HN 0.040 nan 8.210 nan 0.000 0.410 206 V N 0.378 120.289 119.914 -0.006 0.000 2.407 206 V HA -0.204 3.916 4.120 -0.000 0.000 0.248 206 V C 2.386 178.497 176.094 0.027 0.000 1.055 206 V CA 1.342 63.650 62.300 0.013 0.000 1.049 206 V CB -0.349 31.457 31.823 -0.028 0.000 0.662 206 V HN 0.250 nan 8.190 nan 0.000 0.455 207 V N -0.145 119.765 119.914 -0.006 0.000 2.548 207 V HA -0.227 3.893 4.120 -0.000 0.000 0.249 207 V C 2.408 178.475 176.094 -0.044 0.000 1.055 207 V CA 2.049 64.334 62.300 -0.026 0.000 1.065 207 V CB -0.437 31.362 31.823 -0.040 0.000 0.681 207 V HN 0.645 nan 8.190 nan 0.000 0.462 208 E N -0.390 119.784 120.200 -0.044 0.000 2.106 208 E HA -0.181 4.169 4.350 -0.000 0.000 0.192 208 E C 0.633 177.039 176.600 -0.322 0.000 0.984 208 E CA 1.076 57.376 56.400 -0.166 0.000 0.806 208 E CB 0.040 29.653 29.700 -0.144 0.000 0.750 208 E HN 0.728 nan 8.360 nan 0.000 0.458 209 Y N 0.294 120.563 120.300 -0.051 0.000 2.813 209 Y HA 0.234 4.784 4.550 -0.000 0.000 0.378 209 Y C 1.194 177.072 175.900 -0.035 0.000 1.023 209 Y CA -0.370 57.703 58.100 -0.045 0.000 1.567 209 Y CB 0.762 39.191 38.460 -0.051 0.000 1.492 209 Y HN -0.028 nan 8.280 nan 0.000 0.533 210 S N -0.089 115.624 115.700 0.021 0.000 2.442 210 S HA -0.179 4.291 4.470 -0.000 0.000 0.236 210 S C 1.678 176.293 174.600 0.025 0.000 1.007 210 S CA 1.479 59.688 58.200 0.016 0.000 0.965 210 S CB -0.110 63.078 63.200 -0.019 0.000 0.773 210 S HN 0.727 nan 8.310 nan 0.000 0.504 211 D N 0.762 121.177 120.400 0.025 0.000 2.363 211 D HA -0.010 4.630 4.640 -0.000 0.000 0.220 211 D C 0.344 176.671 176.300 0.045 0.000 0.994 211 D CA 0.314 54.329 54.000 0.026 0.000 0.890 211 D CB -0.067 40.739 40.800 0.010 0.000 0.906 211 D HN 0.357 nan 8.370 nan 0.000 0.530 212 I N 0.633 121.246 120.570 0.072 0.000 2.406 212 I HA 0.255 4.425 4.170 -0.000 0.000 0.290 212 I C 0.229 176.373 176.117 0.045 0.000 0.999 212 I CA -1.217 60.115 61.300 0.054 0.000 1.124 212 I CB 1.990 40.025 38.000 0.057 0.000 1.289 212 I HN -0.331 nan 8.210 nan 0.000 0.441 213 R N 3.663 124.174 120.500 0.020 0.000 2.449 213 R HA 0.257 4.596 4.340 -0.000 0.000 0.296 213 R C -0.843 175.446 176.300 -0.019 0.000 1.047 213 R CA 0.440 56.541 56.100 0.001 0.000 1.018 213 R CB 0.487 30.756 30.300 -0.050 0.000 0.962 213 R HN 0.585 nan 8.270 nan 0.000 0.428 214 T N 6.359 120.917 114.554 0.007 0.000 2.815 214 T HA 0.337 4.687 4.350 -0.000 0.000 0.289 214 T C -0.495 174.214 174.700 0.016 0.000 1.000 214 T CA -0.632 61.495 62.100 0.045 0.000 0.958 214 T CB 0.655 69.596 68.868 0.122 0.000 0.944 214 T HN 0.377 nan 8.240 nan 0.000 0.442 215 L N 4.545 125.746 121.223 -0.036 0.000 2.275 215 L HA 0.607 4.947 4.340 -0.000 0.000 0.288 215 L C -0.464 176.539 176.870 0.220 0.000 1.046 215 L CA -0.717 54.130 54.840 0.012 0.000 0.805 215 L CB 0.658 42.616 42.059 -0.168 0.000 1.193 215 L HN 0.372 nan 8.230 nan 0.000 0.426 216 L N 3.997 125.403 121.223 0.305 0.000 2.386 216 L HA 0.612 4.952 4.340 -0.000 0.000 0.271 216 L C -0.628 176.433 176.870 0.317 0.000 0.993 216 L CA -0.902 54.135 54.840 0.328 0.000 0.819 216 L CB 2.604 44.791 42.059 0.214 0.000 1.294 216 L HN 0.232 nan 8.230 nan 0.000 0.414 217 V N 4.170 124.204 119.914 0.200 0.000 2.370 217 V HA 0.372 4.491 4.120 -0.000 0.000 0.283 217 V C 0.064 176.177 176.094 0.031 0.000 1.023 217 V CA -0.493 61.822 62.300 0.024 0.000 0.857 217 V CB 1.828 33.476 31.823 -0.291 0.000 0.985 217 V HN 0.397 nan 8.190 nan 0.000 0.443 218 I N 4.745 125.360 120.570 0.076 0.000 2.304 218 I HA 0.332 4.502 4.170 -0.000 0.000 0.291 218 I C 0.585 176.762 176.117 0.100 0.000 1.018 218 I CA -0.433 60.933 61.300 0.110 0.000 1.260 218 I CB 0.664 38.745 38.000 0.135 0.000 1.390 218 I HN 0.685 nan 8.210 nan 0.000 0.475 219 E N 4.538 124.830 120.200 0.154 0.000 2.359 219 E HA -0.192 4.158 4.350 -0.000 0.000 0.157 219 E C -2.319 174.371 176.600 0.150 0.000 1.718 219 E CA 0.092 56.615 56.400 0.204 0.000 0.620 219 E CB -1.074 28.706 29.700 0.134 0.000 1.057 219 E HN 0.401 nan 8.360 nan 0.000 0.322 220 P HA 0.017 nan 4.420 nan 0.000 0.269 220 P C 0.285 177.702 177.300 0.194 0.000 1.215 220 P CA 0.148 63.267 63.100 0.032 0.000 0.780 220 P CB 0.447 32.047 31.700 -0.167 0.000 0.898 221 D N -0.107 120.405 120.400 0.186 0.000 2.723 221 D HA -0.166 4.474 4.640 -0.000 0.000 0.236 221 D C 0.442 176.871 176.300 0.215 0.000 1.138 221 D CA 1.399 55.558 54.000 0.266 0.000 0.676 221 D CB -1.118 39.840 40.800 0.264 0.000 1.069 221 D HN 0.331 nan 8.370 nan 0.000 0.430 222 S N -1.522 114.247 115.700 0.116 0.000 3.214 222 S HA 0.220 4.690 4.470 -0.000 0.000 0.182 222 S C 2.034 176.721 174.600 0.145 0.000 0.728 222 S CA 0.026 58.225 58.200 -0.002 0.000 0.814 222 S CB -0.529 62.540 63.200 -0.219 0.000 0.859 222 S HN 0.184 nan 8.310 nan 0.000 0.647 223 L N 2.152 123.445 121.223 0.116 0.000 2.191 223 L HA 0.025 4.365 4.340 -0.000 0.000 0.212 223 L C 3.051 179.902 176.870 -0.032 0.000 1.103 223 L CA 1.153 56.060 54.840 0.113 0.000 0.769 223 L CB -0.854 41.325 42.059 0.200 0.000 0.908 223 L HN 0.593 nan 8.230 nan 0.000 0.438 224 A N 0.288 123.020 122.820 -0.146 0.000 1.972 224 A HA -0.191 4.129 4.320 -0.000 0.000 0.219 224 A C 2.031 179.418 177.584 -0.329 0.000 1.169 224 A CA 1.570 53.257 52.037 -0.584 0.000 0.635 224 A CB -0.486 17.638 19.000 -1.459 0.000 0.810 224 A HN 0.470 nan 8.150 nan 0.000 0.446 225 N N 0.101 118.850 118.700 0.081 0.000 2.381 225 N HA -0.042 4.698 4.740 -0.000 0.000 0.182 225 N C 1.401 176.998 175.510 0.145 0.000 1.025 225 N CA 0.980 54.215 53.050 0.309 0.000 0.888 225 N CB -0.230 38.460 38.487 0.338 0.000 0.965 225 N HN 0.515 nan 8.380 nan 0.000 0.438 226 L N 0.409 121.669 121.223 0.062 0.000 2.478 226 L HA 0.019 4.359 4.340 -0.000 0.000 0.223 226 L C 1.856 178.703 176.870 -0.039 0.000 1.140 226 L CA 0.245 55.088 54.840 0.005 0.000 0.842 226 L CB 0.025 42.083 42.059 -0.001 0.000 0.953 226 L HN -0.057 nan 8.230 nan 0.000 0.452 227 V N -0.843 119.033 119.914 -0.063 0.000 2.575 227 V HA -0.105 4.015 4.120 -0.000 0.000 0.242 227 V C 2.316 178.418 176.094 0.012 0.000 1.045 227 V CA 2.014 64.267 62.300 -0.079 0.000 1.065 227 V CB 0.012 31.731 31.823 -0.172 0.000 0.717 227 V HN 0.600 nan 8.190 nan 0.000 0.467 228 T N -3.900 110.720 114.554 0.110 0.000 2.955 228 T HA 0.119 4.469 4.350 -0.000 0.000 0.251 228 T C 1.008 175.783 174.700 0.125 0.000 1.002 228 T CA 0.065 62.258 62.100 0.156 0.000 0.970 228 T CB -0.082 68.973 68.868 0.312 0.000 1.091 228 T HN 0.307 nan 8.240 nan 0.000 0.495 229 N N 1.272 120.059 118.700 0.146 0.000 2.279 229 N HA 0.375 5.115 4.740 -0.000 0.000 0.226 229 N C 1.065 176.600 175.510 0.043 0.000 1.126 229 N CA -0.075 53.031 53.050 0.093 0.000 0.846 229 N CB 0.194 38.756 38.487 0.125 0.000 1.050 229 N HN 0.393 nan 8.380 nan 0.000 0.502 230 L N -0.440 120.798 121.223 0.024 0.000 2.549 230 L HA 0.028 4.368 4.340 -0.000 0.000 0.229 230 L C 2.036 178.902 176.870 -0.007 0.000 1.158 230 L CA 0.559 55.396 54.840 -0.005 0.000 0.842 230 L CB -0.251 41.800 42.059 -0.014 0.000 0.952 230 L HN 0.220 nan 8.230 nan 0.000 0.452 231 G N -0.920 107.882 108.800 0.002 0.000 2.572 231 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.216 231 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.216 231 G C 0.696 175.594 174.900 -0.003 0.000 1.133 231 G CA 0.120 45.219 45.100 -0.002 0.000 0.791 231 G HN 0.215 nan 8.290 nan 0.000 0.538 232 T N 2.187 116.741 114.554 -0.001 0.000 2.743 232 T HA 0.332 4.682 4.350 -0.000 0.000 0.293 232 T C -1.466 173.224 174.700 -0.015 0.000 0.945 232 T CA -1.010 61.089 62.100 -0.002 0.000 1.030 232 T CB 2.108 70.980 68.868 0.007 0.000 0.912 232 T HN -0.102 nan 8.240 nan 0.000 0.483 233 P HA -0.148 nan 4.420 nan 0.000 0.216 233 P C 1.547 178.824 177.300 -0.039 0.000 1.154 233 P CA 0.960 64.045 63.100 -0.025 0.000 0.865 233 P CB 0.269 31.960 31.700 -0.016 0.000 0.789 234 K N -0.856 119.525 120.400 -0.033 0.000 2.097 234 K HA -0.152 4.168 4.320 -0.000 0.000 0.206 234 K C 1.781 178.325 176.600 -0.095 0.000 1.049 234 K CA 1.570 57.829 56.287 -0.047 0.000 0.933 234 K CB -0.535 31.953 32.500 -0.021 0.000 0.717 234 K HN 0.130 nan 8.250 nan 0.000 0.442 235 c N 0.062 118.611 118.600 -0.086 0.000 2.466 235 c HA 0.057 4.627 4.570 -0.000 0.000 0.278 235 c C 2.826 176.813 174.090 -0.171 0.000 1.288 235 c CA 0.667 56.911 56.329 -0.143 0.000 1.722 235 c CB -0.746 41.733 42.510 -0.051 0.000 2.017 235 c HN 0.638 nan 8.230 nan 0.000 0.488 236 A N 1.584 124.343 122.820 -0.102 0.000 1.908 236 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 236 A C 1.814 179.333 177.584 -0.108 0.000 1.181 236 A CA 1.972 53.956 52.037 -0.089 0.000 0.627 236 A CB -0.566 18.401 19.000 -0.055 0.000 0.818 236 A HN 0.660 nan 8.150 nan 0.000 0.445 237 N N -0.003 118.632 118.700 -0.107 0.000 2.457 237 N HA 0.044 4.784 4.740 -0.000 0.000 0.180 237 N C 1.370 176.793 175.510 -0.145 0.000 1.050 237 N CA 1.136 54.126 53.050 -0.100 0.000 0.906 237 N CB -0.275 38.170 38.487 -0.071 0.000 0.968 237 N HN 0.490 nan 8.380 nan 0.000 0.445 238 A N 0.235 122.905 122.820 -0.249 0.000 2.308 238 A HA 0.034 4.354 4.320 -0.000 0.000 0.217 238 A C 2.028 179.318 177.584 -0.489 0.000 1.216 238 A CA -0.020 51.775 52.037 -0.403 0.000 0.864 238 A CB -0.128 18.479 19.000 -0.655 0.000 0.902 238 A HN 0.226 nan 8.150 nan 0.000 0.499 239 Q N 0.332 119.943 119.800 -0.316 0.000 2.045 239 Q HA -0.191 4.149 4.340 -0.000 0.000 0.206 239 Q C 1.986 177.943 176.000 -0.071 0.000 0.991 239 Q CA 2.358 58.048 55.803 -0.188 0.000 0.851 239 Q CB -0.187 28.482 28.738 -0.114 0.000 0.911 239 Q HN 0.553 nan 8.270 nan 0.000 0.418 240 S N 0.280 115.945 115.700 -0.059 0.000 2.368 240 S HA -0.143 4.327 4.470 -0.000 0.000 0.225 240 S C 1.937 176.545 174.600 0.013 0.000 1.030 240 S CA 0.969 59.159 58.200 -0.016 0.000 0.999 240 S CB -0.382 62.805 63.200 -0.022 0.000 0.844 240 S HN 0.585 nan 8.310 nan 0.000 0.459 241 A N 0.791 123.614 122.820 0.004 0.000 1.873 241 A HA -0.062 4.257 4.320 -0.000 0.000 0.215 241 A C 1.917 179.580 177.584 0.132 0.000 1.186 241 A CA 1.234 53.298 52.037 0.045 0.000 0.616 241 A CB -0.905 18.115 19.000 0.034 0.000 0.823 241 A HN 0.461 nan 8.150 nan 0.000 0.442 242 Y N 0.219 120.483 120.300 -0.061 0.000 2.097 242 Y HA -0.176 4.374 4.550 -0.000 0.000 0.282 242 Y C 2.282 178.164 175.900 -0.029 0.000 1.152 242 Y CA 1.105 59.167 58.100 -0.063 0.000 1.136 242 Y CB -0.981 37.460 38.460 -0.032 0.000 0.975 242 Y HN 0.198 nan 8.280 nan 0.000 0.498 243 L N -0.421 120.901 121.223 0.166 0.000 2.083 243 L HA -0.204 4.136 4.340 -0.000 0.000 0.209 243 L C 2.448 179.371 176.870 0.088 0.000 1.083 243 L CA 1.690 56.592 54.840 0.103 0.000 0.752 243 L CB -0.499 41.602 42.059 0.069 0.000 0.899 243 L HN 0.235 nan 8.230 nan 0.000 0.433 244 E N -0.296 119.950 120.200 0.078 0.000 2.047 244 E HA -0.212 4.137 4.350 -0.000 0.000 0.191 244 E C 2.347 179.020 176.600 0.123 0.000 0.987 244 E CA 1.556 58.004 56.400 0.080 0.000 0.799 244 E CB 0.024 29.754 29.700 0.050 0.000 0.752 244 E HN 0.516 nan 8.360 nan 0.000 0.449 245 C N 0.903 120.255 119.300 0.088 0.000 2.446 245 C HA -0.077 4.382 4.460 -0.000 0.000 0.277 245 C C 2.503 177.638 174.990 0.242 0.000 1.275 245 C CA 0.069 59.163 59.018 0.126 0.000 1.727 245 C CB -0.742 26.834 27.740 -0.273 0.000 2.010 245 C HN 0.530 nan 8.230 nan 0.000 0.486 246 I N 1.810 122.458 120.570 0.130 0.000 2.315 246 I HA -0.163 4.007 4.170 -0.000 0.000 0.248 246 I C 2.492 178.707 176.117 0.164 0.000 1.117 246 I CA 1.410 62.803 61.300 0.155 0.000 1.404 246 I CB -1.523 36.542 38.000 0.109 0.000 1.071 246 I HN 0.540 nan 8.210 nan 0.000 0.419 247 N N 0.651 119.438 118.700 0.145 0.000 2.120 247 N HA -0.273 4.467 4.740 -0.000 0.000 0.188 247 N C 2.183 177.775 175.510 0.137 0.000 1.024 247 N CA 1.359 54.474 53.050 0.109 0.000 0.852 247 N CB -0.179 38.364 38.487 0.092 0.000 1.003 247 N HN 0.283 nan 8.380 nan 0.000 0.424 248 Y N 1.488 121.842 120.300 0.091 0.000 2.145 248 Y HA -0.098 4.452 4.550 0.000 0.000 0.286 248 Y C 2.531 178.485 175.900 0.091 0.000 1.145 248 Y CA 1.904 60.059 58.100 0.091 0.000 1.148 248 Y CB -0.653 37.888 38.460 0.134 0.000 0.981 248 Y HN 0.177 nan 8.280 nan 0.000 0.507 249 A N -0.721 122.264 122.820 0.275 0.000 1.865 249 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 249 A C 2.344 179.951 177.584 0.039 0.000 1.191 249 A CA 2.281 54.421 52.037 0.172 0.000 0.623 249 A CB -1.386 17.798 19.000 0.307 0.000 0.826 249 A HN 0.315 nan 8.150 nan 0.000 0.444 250 V N 0.598 120.541 119.914 0.050 0.000 2.407 250 V HA -0.222 3.898 4.120 -0.000 0.000 0.248 250 V C 2.950 179.006 176.094 -0.063 0.000 1.055 250 V CA 2.422 64.724 62.300 0.002 0.000 1.049 250 V CB -1.228 30.602 31.823 0.011 0.000 0.662 250 V HN 0.879 nan 8.190 nan 0.000 0.455 251 T N -2.992 111.502 114.554 -0.099 0.000 2.937 251 T HA -0.135 4.215 4.350 -0.000 0.000 0.260 251 T C 1.779 176.365 174.700 -0.189 0.000 1.051 251 T CA 0.652 62.666 62.100 -0.143 0.000 1.141 251 T CB -0.206 68.577 68.868 -0.142 0.000 0.879 251 T HN 0.341 nan 8.240 nan 0.000 0.459 252 Q N 0.902 120.532 119.800 -0.282 0.000 2.297 252 Q HA 0.246 4.586 4.340 -0.000 0.000 0.204 252 Q C 1.999 177.895 176.000 -0.174 0.000 0.962 252 Q CA 0.693 56.313 55.803 -0.304 0.000 0.879 252 Q CB -0.218 28.208 28.738 -0.520 0.000 0.947 252 Q HN 0.550 nan 8.270 nan 0.000 0.462 253 L N 0.751 121.901 121.223 -0.121 0.000 2.653 253 L HA 0.148 4.488 4.340 -0.000 0.000 0.231 253 L C 0.576 177.416 176.870 -0.050 0.000 1.153 253 L CA -0.340 54.457 54.840 -0.071 0.000 0.933 253 L CB -0.055 41.981 42.059 -0.038 0.000 1.175 253 L HN -0.022 nan 8.230 nan 0.000 0.473 254 N N 1.934 120.592 118.700 -0.069 0.000 2.671 254 N HA 0.251 4.991 4.740 -0.000 0.000 0.274 254 N C -0.908 174.569 175.510 -0.055 0.000 1.188 254 N CA 0.325 53.340 53.050 -0.059 0.000 1.065 254 N CB -0.120 38.318 38.487 -0.082 0.000 1.415 254 N HN 0.198 nan 8.380 nan 0.000 0.511 255 L N 3.009 124.212 121.223 -0.032 0.000 2.323 255 L HA 0.513 4.852 4.340 -0.000 0.000 0.265 255 L C -1.298 175.562 176.870 -0.017 0.000 1.012 255 L CA -2.248 52.574 54.840 -0.030 0.000 0.820 255 L CB 2.046 44.091 42.059 -0.022 0.000 1.334 255 L HN 0.190 nan 8.230 nan 0.000 0.427 256 P HA -0.141 nan 4.420 nan 0.000 0.216 256 P C 0.622 177.924 177.300 0.004 0.000 1.150 256 P CA 1.167 64.232 63.100 -0.058 0.000 0.837 256 P CB 0.029 31.692 31.700 -0.062 0.000 0.786 257 N N -1.129 117.603 118.700 0.053 0.000 2.322 257 N HA 0.012 4.752 4.740 -0.000 0.000 0.194 257 N C -0.136 175.464 175.510 0.151 0.000 1.126 257 N CA 0.238 53.358 53.050 0.115 0.000 0.845 257 N CB -0.243 38.284 38.487 0.067 0.000 0.976 257 N HN 0.008 nan 8.380 nan 0.000 0.475 258 V N 0.632 120.638 119.914 0.154 0.000 2.630 258 V HA 0.751 4.871 4.120 -0.000 0.000 0.305 258 V C -0.146 176.056 176.094 0.179 0.000 1.046 258 V CA -1.037 61.337 62.300 0.124 0.000 0.934 258 V CB 1.448 33.312 31.823 0.067 0.000 1.003 258 V HN 0.370 nan 8.190 nan 0.000 0.451 259 A N 5.557 128.415 122.820 0.064 0.000 2.411 259 A HA 0.830 5.150 4.320 -0.000 0.000 0.285 259 A C -0.747 176.839 177.584 0.003 0.000 1.129 259 A CA -0.514 51.518 52.037 -0.009 0.000 0.736 259 A CB 0.981 19.850 19.000 -0.219 0.000 1.186 259 A HN 0.772 nan 8.150 nan 0.000 0.445 260 M N 1.642 121.207 119.600 -0.058 0.000 2.472 260 M HA 0.548 5.028 4.480 -0.000 0.000 0.331 260 M C -1.571 174.641 176.300 -0.148 0.000 1.170 260 M CA -0.296 55.010 55.300 0.010 0.000 1.009 260 M CB 1.743 34.369 32.600 0.044 0.000 1.672 260 M HN 0.672 nan 8.290 nan 0.000 0.453 261 Y N 2.049 122.402 120.300 0.089 0.000 2.331 261 Y HA 0.432 4.982 4.550 -0.000 0.000 0.326 261 Y C -0.629 175.280 175.900 0.014 0.000 1.020 261 Y CA -0.600 57.529 58.100 0.049 0.000 1.136 261 Y CB 1.314 39.791 38.460 0.028 0.000 1.157 261 Y HN 0.519 nan 8.280 nan 0.000 0.444 262 L N 3.308 124.613 121.223 0.136 0.000 2.416 262 L HA 0.110 4.450 4.340 -0.000 0.000 0.272 262 L C 0.249 177.095 176.870 -0.041 0.000 1.161 262 L CA 0.026 54.904 54.840 0.064 0.000 0.845 262 L CB 0.608 42.714 42.059 0.078 0.000 1.119 262 L HN 0.684 nan 8.230 nan 0.000 0.464 263 D N 2.651 123.042 120.400 -0.014 0.000 2.425 263 D HA 0.254 4.894 4.640 -0.000 0.000 0.247 263 D C 0.073 176.315 176.300 -0.096 0.000 1.147 263 D CA 0.175 54.154 54.000 -0.034 0.000 0.879 263 D CB 1.057 41.861 40.800 0.007 0.000 1.179 263 D HN 0.566 nan 8.370 nan 0.000 0.456 264 A N 3.568 126.330 122.820 -0.097 0.000 2.674 264 A HA 0.626 4.946 4.320 -0.000 0.000 0.286 264 A C 0.995 178.650 177.584 0.117 0.000 0.980 264 A CA 0.192 52.176 52.037 -0.088 0.000 1.028 264 A CB -0.304 18.473 19.000 -0.372 0.000 1.199 264 A HN 0.961 nan 8.150 nan 0.000 0.499 265 G N 0.814 109.637 108.800 0.038 0.000 2.596 265 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.295 265 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.295 265 G C -0.015 175.010 174.900 0.208 0.000 1.240 265 G CA 1.218 46.347 45.100 0.048 0.000 0.985 265 G HN 2.260 nan 8.290 nan 0.000 0.555 266 H N -4.016 115.065 119.070 0.018 0.000 2.933 266 H HA 0.785 5.341 4.556 -0.000 0.000 0.310 266 H C 1.206 176.167 175.328 -0.613 0.000 1.351 266 H CA 0.340 56.307 56.048 -0.135 0.000 1.137 266 H CB 0.815 30.599 29.762 0.038 0.000 1.853 266 H HN 1.285 nan 8.280 nan 0.000 0.539 267 A N 0.236 122.799 122.820 -0.429 0.000 1.948 267 A HA -0.080 4.240 4.320 -0.000 0.000 0.220 267 A C 2.197 179.431 177.584 -0.583 0.000 1.177 267 A CA 2.056 53.795 52.037 -0.498 0.000 0.636 267 A CB -1.617 17.403 19.000 0.033 0.000 0.815 267 A HN 0.924 nan 8.150 nan 0.000 0.449 268 G N -3.202 105.158 108.800 -0.734 0.000 2.744 268 G HA2 -0.007 3.952 3.960 -0.000 0.000 0.211 268 G HA3 -0.007 3.952 3.960 -0.000 0.000 0.211 268 G C 1.102 175.658 174.900 -0.573 0.000 1.143 268 G CA 0.834 44.945 45.100 -1.648 0.000 0.788 268 G HN 0.588 nan 8.290 nan 0.000 0.534 269 W N 0.161 120.973 121.300 -0.812 0.000 3.203 269 W HA 0.348 5.007 4.660 -0.000 0.000 0.255 269 W C 1.660 178.075 176.519 -0.173 0.000 0.959 269 W CA 0.407 57.475 57.345 -0.462 0.000 2.066 269 W CB -0.402 28.655 29.460 -0.672 0.000 1.143 269 W HN 0.032 nan 8.180 nan 0.000 0.595 270 L N 0.815 121.964 121.223 -0.123 0.000 2.607 270 L HA 0.275 4.615 4.340 -0.000 0.000 0.228 270 L C 2.201 179.057 176.870 -0.023 0.000 1.123 270 L CA 0.725 55.525 54.840 -0.067 0.000 0.890 270 L CB -0.882 41.148 42.059 -0.048 0.000 1.103 270 L HN 0.110 nan 8.230 nan 0.000 0.468 271 G N -0.429 108.191 108.800 -0.300 0.000 2.511 271 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.217 271 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.217 271 G C 0.124 175.011 174.900 -0.022 0.000 1.133 271 G CA -0.420 44.568 45.100 -0.187 0.000 0.792 271 G HN 0.173 nan 8.290 nan 0.000 0.539 272 W N 0.775 122.076 121.300 0.000 0.000 2.257 272 W HA 0.307 4.967 4.660 -0.000 0.000 0.337 272 W C -1.181 175.382 176.519 0.074 0.000 1.321 272 W CA -1.758 55.624 57.345 0.061 0.000 1.267 272 W CB 0.323 29.815 29.460 0.054 0.000 1.187 272 W HN 0.019 nan 8.180 nan 0.000 0.565 273 P HA -0.341 nan 4.420 nan 0.000 0.217 273 P C 1.414 178.823 177.300 0.182 0.000 1.158 273 P CA 3.176 66.393 63.100 0.195 0.000 0.887 273 P CB -0.009 31.797 31.700 0.176 0.000 0.792 274 A N -1.367 121.574 122.820 0.201 0.000 2.121 274 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 274 A C 1.871 179.527 177.584 0.121 0.000 1.154 274 A CA 1.511 53.631 52.037 0.137 0.000 0.679 274 A CB -0.913 18.153 19.000 0.110 0.000 0.795 274 A HN 0.163 nan 8.150 nan 0.000 0.458 275 N N -0.701 118.095 118.700 0.160 0.000 2.356 275 N HA 0.012 4.752 4.740 -0.000 0.000 0.178 275 N C 1.619 177.198 175.510 0.116 0.000 1.075 275 N CA 0.466 53.590 53.050 0.123 0.000 0.889 275 N CB -0.182 38.398 38.487 0.155 0.000 0.999 275 N HN 0.612 nan 8.380 nan 0.000 0.464 276 Q N 0.742 120.632 119.800 0.149 0.000 2.002 276 Q HA -0.187 4.153 4.340 -0.000 0.000 0.204 276 Q C 1.151 177.224 176.000 0.122 0.000 0.988 276 Q CA 1.785 57.684 55.803 0.159 0.000 0.843 276 Q CB -0.158 28.674 28.738 0.155 0.000 0.908 276 Q HN 0.278 nan 8.270 nan 0.000 0.420 277 D N -0.280 120.184 120.400 0.107 0.000 2.097 277 D HA -0.094 4.545 4.640 -0.000 0.000 0.195 277 D C -0.949 175.354 176.300 0.005 0.000 0.989 277 D CA 0.976 55.040 54.000 0.106 0.000 0.827 277 D CB -0.645 40.234 40.800 0.132 0.000 0.966 277 D HN 0.077 nan 8.370 nan 0.000 0.456 278 P HA -0.100 nan 4.420 nan 0.000 0.216 278 P C 0.927 178.135 177.300 -0.154 0.000 1.150 278 P CA 1.928 64.979 63.100 -0.081 0.000 0.837 278 P CB -0.096 31.576 31.700 -0.046 0.000 0.786 279 A N -0.049 122.700 122.820 -0.118 0.000 1.873 279 A HA -0.051 4.269 4.320 -0.000 0.000 0.215 279 A C 2.326 179.792 177.584 -0.196 0.000 1.186 279 A CA 1.918 53.817 52.037 -0.231 0.000 0.616 279 A CB -1.598 17.395 19.000 -0.011 0.000 0.823 279 A HN 0.174 nan 8.150 nan 0.000 0.442 280 A N -0.588 122.247 122.820 0.025 0.000 1.940 280 A HA -0.234 4.086 4.320 -0.000 0.000 0.219 280 A C 2.132 179.700 177.584 -0.026 0.000 1.176 280 A CA 1.730 53.844 52.037 0.129 0.000 0.631 280 A CB -0.600 18.521 19.000 0.202 0.000 0.814 280 A HN 0.670 nan 8.150 nan 0.000 0.446 281 Q N -1.201 118.412 119.800 -0.313 0.000 2.050 281 Q HA -0.176 4.164 4.340 -0.000 0.000 0.202 281 Q C 2.154 178.036 176.000 -0.195 0.000 0.980 281 Q CA 1.506 57.026 55.803 -0.472 0.000 0.840 281 Q CB -0.379 28.069 28.738 -0.483 0.000 0.898 281 Q HN 0.588 nan 8.270 nan 0.000 0.424 282 L N 0.112 121.193 121.223 -0.236 0.000 1.994 282 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 282 L C 1.980 178.794 176.870 -0.093 0.000 1.071 282 L CA 1.769 56.470 54.840 -0.232 0.000 0.745 282 L CB -0.596 41.213 42.059 -0.417 0.000 0.892 282 L HN 0.074 nan 8.230 nan 0.000 0.431 283 F N 0.126 120.136 119.950 0.099 0.000 2.171 283 F HA -0.122 4.405 4.527 -0.000 0.000 0.300 283 F C 2.566 178.571 175.800 0.341 0.000 1.090 283 F CA 1.045 59.181 58.000 0.226 0.000 1.293 283 F CB -1.606 37.531 39.000 0.228 0.000 1.013 283 F HN 0.212 nan 8.300 nan 0.000 0.486 284 A N 0.069 123.164 122.820 0.457 0.000 1.930 284 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 284 A C 2.141 179.874 177.584 0.248 0.000 1.175 284 A CA 1.671 53.961 52.037 0.423 0.000 0.627 284 A CB -0.690 18.526 19.000 0.360 0.000 0.815 284 A HN 0.313 nan 8.150 nan 0.000 0.443 285 N N 0.178 118.967 118.700 0.148 0.000 2.188 285 N HA -0.102 4.638 4.740 -0.000 0.000 0.184 285 N C 1.679 177.228 175.510 0.065 0.000 1.018 285 N CA 1.498 54.595 53.050 0.078 0.000 0.858 285 N CB -0.508 37.996 38.487 0.028 0.000 0.989 285 N HN 0.249 nan 8.380 nan 0.000 0.426 286 V N 0.707 120.683 119.914 0.103 0.000 2.343 286 V HA -0.239 3.881 4.120 -0.000 0.000 0.247 286 V C 2.035 178.131 176.094 0.004 0.000 1.051 286 V CA 1.390 63.738 62.300 0.081 0.000 1.036 286 V CB -0.686 31.236 31.823 0.165 0.000 0.654 286 V HN 0.271 nan 8.190 nan 0.000 0.451 287 Y N 1.357 121.532 120.300 -0.209 0.000 2.114 287 Y HA -0.227 4.323 4.550 -0.000 0.000 0.284 287 Y C 2.503 178.213 175.900 -0.317 0.000 1.143 287 Y CA 1.906 59.710 58.100 -0.493 0.000 1.135 287 Y CB -0.219 37.603 38.460 -1.063 0.000 0.980 287 Y HN 0.148 nan 8.280 nan 0.000 0.499 288 K N -0.304 119.996 120.400 -0.166 0.000 2.148 288 K HA -0.175 4.145 4.320 -0.000 0.000 0.204 288 K C 1.864 178.365 176.600 -0.164 0.000 1.050 288 K CA 1.305 57.480 56.287 -0.186 0.000 0.942 288 K CB -0.280 32.211 32.500 -0.014 0.000 0.724 288 K HN 0.258 nan 8.250 nan 0.000 0.446 289 N N 0.876 119.514 118.700 -0.105 0.000 2.381 289 N HA -0.087 4.653 4.740 -0.000 0.000 0.182 289 N C 0.972 176.420 175.510 -0.103 0.000 1.025 289 N CA 0.841 53.846 53.050 -0.075 0.000 0.888 289 N CB 0.119 38.588 38.487 -0.029 0.000 0.965 289 N HN 0.148 nan 8.380 nan 0.000 0.438 290 A N -0.970 121.750 122.820 -0.165 0.000 2.415 290 A HA 0.353 4.673 4.320 -0.000 0.000 0.248 290 A C 0.554 177.993 177.584 -0.242 0.000 1.299 290 A CA 0.122 52.054 52.037 -0.174 0.000 0.899 290 A CB -0.251 18.647 19.000 -0.171 0.000 0.997 290 A HN 0.097 nan 8.150 nan 0.000 0.506 291 S N -0.331 115.215 115.700 -0.258 0.000 3.698 291 S HA -0.166 4.304 4.470 -0.000 0.000 0.338 291 S C 0.456 174.818 174.600 -0.396 0.000 1.089 291 S CA 0.655 58.698 58.200 -0.262 0.000 0.991 291 S CB -2.423 60.672 63.200 -0.174 0.000 0.909 291 S HN 1.537 nan 8.310 nan 0.000 0.485 292 S N -0.856 114.411 115.700 -0.721 0.000 3.484 292 S HA -0.138 4.332 4.470 -0.000 0.000 0.384 292 S C -1.823 172.389 174.600 -0.647 0.000 0.932 292 S CA 0.526 58.009 58.200 -1.195 0.000 1.293 292 S CB -1.176 61.591 63.200 -0.723 0.000 0.919 292 S HN 0.588 nan 8.310 nan 0.000 0.540 293 P HA 0.082 nan 4.420 nan 0.000 0.261 293 P C 1.028 178.271 177.300 -0.095 0.000 1.183 293 P CA -0.233 62.731 63.100 -0.226 0.000 0.761 293 P CB 0.528 32.123 31.700 -0.176 0.000 0.785 294 R N 4.356 124.815 120.500 -0.068 0.000 2.091 294 R HA -0.201 4.138 4.340 -0.000 0.000 0.238 294 R C 1.668 177.976 176.300 0.013 0.000 1.136 294 R CA 2.025 58.111 56.100 -0.023 0.000 0.959 294 R CB -0.758 29.504 30.300 -0.063 0.000 0.856 294 R HN 0.495 nan 8.270 nan 0.000 0.437 295 A N 1.066 123.886 122.820 0.001 0.000 2.067 295 A HA -0.024 4.296 4.320 -0.000 0.000 0.219 295 A C 1.079 178.688 177.584 0.043 0.000 1.158 295 A CA 0.254 52.318 52.037 0.045 0.000 0.661 295 A CB -0.192 18.824 19.000 0.027 0.000 0.801 295 A HN 0.318 nan 8.150 nan 0.000 0.452 296 L N 0.746 121.997 121.223 0.046 0.000 2.462 296 L HA 0.292 4.632 4.340 -0.000 0.000 0.283 296 L C 1.357 178.307 176.870 0.134 0.000 1.166 296 L CA 0.052 54.934 54.840 0.070 0.000 0.964 296 L CB -0.210 41.898 42.059 0.083 0.000 1.294 296 L HN 0.407 nan 8.230 nan 0.000 0.449 297 R N 2.907 123.367 120.500 -0.068 0.000 2.090 297 R HA 0.247 4.587 4.340 -0.000 0.000 0.228 297 R C 0.821 177.101 176.300 -0.034 0.000 1.110 297 R CA 1.201 57.244 56.100 -0.096 0.000 0.973 297 R CB 0.108 30.166 30.300 -0.403 0.000 0.869 297 R HN 0.764 nan 8.270 nan 0.000 0.440 298 G N -1.284 107.435 108.800 -0.134 0.000 2.498 298 G HA2 0.214 4.174 3.960 -0.000 0.000 0.181 298 G HA3 0.214 4.174 3.960 -0.000 0.000 0.181 298 G C -1.699 173.093 174.900 -0.179 0.000 1.169 298 G CA -0.639 44.310 45.100 -0.251 0.000 0.992 298 G HN 0.044 nan 8.290 nan 0.000 0.490 299 L N 0.444 121.440 121.223 -0.378 0.000 2.341 299 L HA 0.825 5.164 4.340 -0.000 0.000 0.267 299 L C 0.124 177.009 176.870 0.025 0.000 1.009 299 L CA -1.094 53.608 54.840 -0.231 0.000 0.819 299 L CB 2.224 43.985 42.059 -0.496 0.000 1.323 299 L HN 0.844 nan 8.230 nan 0.000 0.425 300 A N 0.752 123.579 122.820 0.011 0.000 2.318 300 A HA 0.776 5.096 4.320 -0.000 0.000 0.324 300 A C -0.271 177.338 177.584 0.042 0.000 1.170 300 A CA -0.409 51.619 52.037 -0.016 0.000 0.810 300 A CB 1.326 20.272 19.000 -0.090 0.000 1.198 300 A HN 0.707 nan 8.150 nan 0.000 0.484 301 T N -0.674 113.939 114.554 0.098 0.000 2.930 301 T HA 0.537 4.887 4.350 -0.000 0.000 0.290 301 T C 0.306 175.107 174.700 0.169 0.000 1.052 301 T CA -0.215 62.005 62.100 0.201 0.000 1.017 301 T CB 1.256 70.329 68.868 0.342 0.000 1.137 301 T HN 1.139 nan 8.240 nan 0.000 0.511 302 N N -0.364 118.472 118.700 0.226 0.000 2.753 302 N HA -0.154 4.586 4.740 -0.000 0.000 0.251 302 N C -0.289 175.254 175.510 0.055 0.000 1.097 302 N CA 0.831 53.973 53.050 0.153 0.000 0.786 302 N CB -1.694 36.890 38.487 0.163 0.000 1.137 302 N HN 0.691 nan 8.380 nan 0.000 0.566 303 V N 0.588 120.539 119.914 0.061 0.000 2.509 303 V HA 0.285 4.404 4.120 -0.000 0.000 0.297 303 V C 1.708 177.820 176.094 0.031 0.000 1.014 303 V CA 0.921 63.238 62.300 0.028 0.000 1.127 303 V CB 0.125 31.945 31.823 -0.005 0.000 0.925 303 V HN 0.649 nan 8.190 nan 0.000 0.480 304 A N 3.658 126.476 122.820 -0.004 0.000 2.979 304 A HA -0.211 4.109 4.320 -0.000 0.000 0.260 304 A C 0.745 178.135 177.584 -0.324 0.000 1.282 304 A CA 1.453 53.421 52.037 -0.114 0.000 0.971 304 A CB -2.012 16.959 19.000 -0.049 0.000 1.124 304 A HN 0.770 nan 8.150 nan 0.000 0.826 305 N N -2.490 116.010 118.700 -0.333 0.000 2.813 305 N HA 0.708 5.448 4.740 -0.000 0.000 0.320 305 N C 0.081 175.235 175.510 -0.592 0.000 1.315 305 N CA 0.097 52.854 53.050 -0.489 0.000 0.871 305 N CB 0.613 38.911 38.487 -0.316 0.000 1.241 305 N HN 0.237 nan 8.380 nan 0.000 0.602 306 Y N -0.963 119.344 120.300 0.010 0.000 2.675 306 Y HA 0.335 4.885 4.550 -0.000 0.000 0.248 306 Y C -0.163 175.811 175.900 0.124 0.000 1.161 306 Y CA -0.774 57.359 58.100 0.055 0.000 1.203 306 Y CB -0.161 38.323 38.460 0.040 0.000 1.262 306 Y HN 0.181 nan 8.280 nan 0.000 0.544 307 N N 1.543 120.415 118.700 0.285 0.000 2.441 307 N HA 0.142 4.882 4.740 -0.000 0.000 0.251 307 N C 0.623 176.309 175.510 0.294 0.000 1.242 307 N CA 0.604 53.864 53.050 0.349 0.000 0.898 307 N CB 0.791 39.512 38.487 0.391 0.000 1.100 307 N HN 0.423 nan 8.380 nan 0.000 0.443 308 G N -0.029 108.939 108.800 0.281 0.000 2.476 308 G HA2 0.062 4.022 3.960 -0.000 0.000 0.269 308 G HA3 0.062 4.022 3.960 -0.000 0.000 0.269 308 G C 0.691 175.769 174.900 0.296 0.000 1.195 308 G CA -0.745 44.506 45.100 0.252 0.000 0.843 308 G HN 0.765 nan 8.290 nan 0.000 0.545 309 W N 2.175 123.559 121.300 0.139 0.000 2.444 309 W HA -0.051 4.609 4.660 -0.000 0.000 0.308 309 W C 0.500 177.090 176.519 0.118 0.000 1.183 309 W CA 1.195 58.638 57.345 0.163 0.000 1.340 309 W CB 0.295 29.897 29.460 0.236 0.000 1.138 309 W HN 0.603 nan 8.180 nan 0.000 0.510 310 N N 0.983 119.531 118.700 -0.253 0.000 2.536 310 N HA 0.082 4.822 4.740 -0.000 0.000 0.286 310 N C -0.143 175.292 175.510 -0.125 0.000 1.577 310 N CA -0.215 52.577 53.050 -0.429 0.000 0.883 310 N CB -1.409 36.741 38.487 -0.562 0.000 1.390 310 N HN 0.287 nan 8.380 nan 0.000 0.491 311 I N -1.163 119.406 120.570 -0.002 0.000 2.775 311 I HA 0.080 4.249 4.170 -0.000 0.000 0.290 311 I C 1.227 177.423 176.117 0.133 0.000 1.203 311 I CA -0.066 61.282 61.300 0.079 0.000 1.433 311 I CB 0.530 38.602 38.000 0.121 0.000 1.354 311 I HN 0.074 nan 8.210 nan 0.000 0.579 312 T N 0.953 115.553 114.554 0.077 0.000 3.067 312 T HA 0.089 4.439 4.350 -0.000 0.000 0.261 312 T C 0.749 175.482 174.700 0.055 0.000 1.110 312 T CA 0.103 62.246 62.100 0.072 0.000 1.113 312 T CB -0.147 68.730 68.868 0.015 0.000 0.917 312 T HN 0.612 nan 8.240 nan 0.000 0.499 313 S N 2.805 118.485 115.700 -0.033 0.000 2.532 313 S HA 0.548 5.018 4.470 -0.000 0.000 0.299 313 S C -2.896 171.407 174.600 -0.495 0.000 1.105 313 S CA -1.284 56.776 58.200 -0.233 0.000 1.018 313 S CB 2.109 65.205 63.200 -0.174 0.000 1.021 313 S HN 0.225 nan 8.310 nan 0.000 0.483 314 P HA 0.314 nan 4.420 nan 0.000 0.276 314 P C -2.750 174.158 177.300 -0.652 0.000 1.243 314 P CA -1.258 61.175 63.100 -1.111 0.000 0.768 314 P CB -0.411 30.572 31.700 -1.194 0.000 0.856 315 P HA -0.001 nan 4.420 nan 0.000 0.269 315 P C 1.411 178.226 177.300 -0.807 0.000 1.215 315 P CA -0.037 62.590 63.100 -0.788 0.000 0.780 315 P CB 0.312 31.269 31.700 -1.238 0.000 0.898 316 S N 1.484 116.812 115.700 -0.620 0.000 2.370 316 S HA -0.271 4.199 4.470 -0.000 0.000 0.226 316 S C 1.750 176.148 174.600 -0.337 0.000 1.033 316 S CA 1.618 59.593 58.200 -0.374 0.000 1.011 316 S CB -1.695 61.388 63.200 -0.194 0.000 0.852 316 S HN 0.588 nan 8.310 nan 0.000 0.457 317 Y N 2.644 122.828 120.300 -0.193 0.000 2.639 317 Y HA 0.195 4.745 4.550 -0.000 0.000 0.297 317 Y C 2.220 177.954 175.900 -0.277 0.000 1.151 317 Y CA 0.611 58.613 58.100 -0.162 0.000 1.335 317 Y CB -1.722 36.662 38.460 -0.126 0.000 0.994 317 Y HN 0.445 nan 8.280 nan 0.000 0.548 318 T N -2.845 111.346 114.554 -0.606 0.000 3.086 318 T HA 0.015 4.365 4.350 -0.000 0.000 0.250 318 T C 0.629 175.205 174.700 -0.206 0.000 1.074 318 T CA -0.390 61.263 62.100 -0.746 0.000 0.988 318 T CB -0.329 67.896 68.868 -1.072 0.000 0.988 318 T HN 0.494 nan 8.240 nan 0.000 0.530 319 Q N 1.005 120.741 119.800 -0.107 0.000 2.549 319 Q HA 0.211 4.551 4.340 -0.000 0.000 0.347 319 Q C 1.324 177.433 176.000 0.181 0.000 1.081 319 Q CA 1.486 57.291 55.803 0.004 0.000 1.093 319 Q CB -0.573 28.175 28.738 0.017 0.000 1.067 319 Q HN 0.726 nan 8.270 nan 0.000 0.398 320 G N 3.321 112.203 108.800 0.136 0.000 2.195 320 G HA2 -0.255 3.704 3.960 -0.000 0.000 0.224 320 G HA3 -0.255 3.704 3.960 -0.000 0.000 0.224 320 G C -0.166 174.853 174.900 0.198 0.000 0.990 320 G CA 0.068 45.326 45.100 0.263 0.000 0.639 320 G HN 0.667 nan 8.290 nan 0.000 0.514 321 N N 0.555 119.195 118.700 -0.101 0.000 2.443 321 N HA 0.707 5.447 4.740 -0.000 0.000 0.269 321 N C 1.105 176.561 175.510 -0.091 0.000 0.985 321 N CA 0.485 53.306 53.050 -0.383 0.000 0.921 321 N CB 1.340 39.241 38.487 -0.975 0.000 1.195 321 N HN 0.447 nan 8.380 nan 0.000 0.492 322 A N 2.883 125.688 122.820 -0.024 0.000 2.015 322 A HA 0.017 4.337 4.320 -0.000 0.000 0.219 322 A C 0.582 178.196 177.584 0.051 0.000 1.163 322 A CA 0.792 52.864 52.037 0.059 0.000 0.646 322 A CB -0.010 19.014 19.000 0.040 0.000 0.806 322 A HN 0.428 nan 8.150 nan 0.000 0.448 323 V N 1.737 121.632 119.914 -0.033 0.000 2.267 323 V HA 0.104 4.224 4.120 -0.000 0.000 0.254 323 V C 0.459 176.565 176.094 0.021 0.000 1.144 323 V CA -0.051 62.207 62.300 -0.071 0.000 0.992 323 V CB -1.009 30.791 31.823 -0.039 0.000 1.199 323 V HN 0.673 nan 8.190 nan 0.000 0.493 324 Y N 2.459 122.772 120.300 0.021 0.000 2.458 324 Y HA 0.439 4.989 4.550 -0.000 0.000 0.256 324 Y C 0.487 176.460 175.900 0.123 0.000 1.159 324 Y CA -1.107 57.026 58.100 0.055 0.000 1.261 324 Y CB -0.158 38.210 38.460 -0.154 0.000 1.119 324 Y HN 0.642 nan 8.280 nan 0.000 0.524 325 N N -1.313 117.282 118.700 -0.176 0.000 2.571 325 N HA 0.184 4.924 4.740 -0.000 0.000 0.273 325 N C 0.225 175.752 175.510 0.028 0.000 1.340 325 N CA -0.718 52.312 53.050 -0.034 0.000 0.789 325 N CB 0.784 39.158 38.487 -0.188 0.000 1.514 325 N HN -0.108 nan 8.380 nan 0.000 0.499 326 E N 0.212 120.498 120.200 0.143 0.000 2.150 326 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 326 E C 1.092 177.751 176.600 0.099 0.000 0.985 326 E CA 0.971 57.529 56.400 0.264 0.000 0.814 326 E CB -0.099 29.876 29.700 0.459 0.000 0.752 326 E HN 0.745 nan 8.360 nan 0.000 0.466 327 K N 0.923 121.133 120.400 -0.317 0.000 2.026 327 K HA -0.091 4.229 4.320 -0.000 0.000 0.208 327 K C 2.277 178.762 176.600 -0.192 0.000 1.048 327 K CA 0.847 56.783 56.287 -0.585 0.000 0.929 327 K CB -0.109 31.667 32.500 -1.208 0.000 0.713 327 K HN 0.050 nan 8.250 nan 0.000 0.439 328 L N 0.208 121.289 121.223 -0.237 0.000 2.131 328 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 328 L C 2.537 179.390 176.870 -0.029 0.000 1.092 328 L CA 1.029 55.773 54.840 -0.161 0.000 0.759 328 L CB -0.572 41.328 42.059 -0.265 0.000 0.903 328 L HN 0.297 nan 8.230 nan 0.000 0.435 329 Y N 1.583 121.803 120.300 -0.135 0.000 2.133 329 Y HA -0.248 4.302 4.550 -0.000 0.000 0.287 329 Y C 2.449 178.234 175.900 -0.190 0.000 1.134 329 Y CA 1.742 59.777 58.100 -0.108 0.000 1.133 329 Y CB -0.481 37.951 38.460 -0.048 0.000 0.987 329 Y HN 0.205 nan 8.280 nan 0.000 0.502 330 I N -2.306 117.931 120.570 -0.555 0.000 2.361 330 I HA -0.260 3.910 4.170 -0.000 0.000 0.251 330 I C 1.970 177.600 176.117 -0.812 0.000 1.133 330 I CA 1.862 62.507 61.300 -1.092 0.000 1.413 330 I CB -0.817 36.340 38.000 -1.405 0.000 1.073 330 I HN 0.175 nan 8.210 nan 0.000 0.424 331 H N 1.195 120.027 119.070 -0.396 0.000 2.529 331 H HA 0.191 4.747 4.556 -0.000 0.000 0.277 331 H C 2.322 177.542 175.328 -0.181 0.000 0.999 331 H CA 1.164 57.062 56.048 -0.249 0.000 1.256 331 H CB 0.424 30.075 29.762 -0.185 0.000 1.402 331 H HN 0.563 nan 8.280 nan 0.000 0.566 332 A N 0.678 123.445 122.820 -0.089 0.000 1.911 332 A HA 0.021 4.341 4.320 -0.000 0.000 0.212 332 A C 2.307 179.858 177.584 -0.055 0.000 1.189 332 A CA 0.270 52.286 52.037 -0.035 0.000 0.639 332 A CB -0.296 18.718 19.000 0.023 0.000 0.839 332 A HN 0.303 nan 8.150 nan 0.000 0.449 333 I N -0.470 120.013 120.570 -0.146 0.000 2.876 333 I HA 0.001 4.171 4.170 -0.000 0.000 0.264 333 I C 2.204 178.285 176.117 -0.060 0.000 1.204 333 I CA 0.858 62.105 61.300 -0.088 0.000 1.485 333 I CB -0.178 37.731 38.000 -0.151 0.000 1.103 333 I HN 0.341 nan 8.210 nan 0.000 0.446 334 G N 2.411 111.138 108.800 -0.121 0.000 2.545 334 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.217 334 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.217 334 G C -0.439 174.407 174.900 -0.091 0.000 1.218 334 G CA 1.031 46.092 45.100 -0.066 0.000 0.787 334 G HN 0.327 nan 8.290 nan 0.000 0.571 335 P HA -0.034 nan 4.420 nan 0.000 0.220 335 P C 2.032 179.314 177.300 -0.030 0.000 1.148 335 P CA 0.792 63.861 63.100 -0.053 0.000 0.803 335 P CB -0.135 31.544 31.700 -0.034 0.000 0.782 336 L N -1.258 119.966 121.223 0.003 0.000 2.093 336 L HA -0.102 4.238 4.340 -0.000 0.000 0.208 336 L C 2.768 179.716 176.870 0.129 0.000 1.085 336 L CA 1.004 55.883 54.840 0.064 0.000 0.755 336 L CB -0.950 41.184 42.059 0.124 0.000 0.904 336 L HN -0.088 nan 8.230 nan 0.000 0.435 337 L N -0.132 121.136 121.223 0.075 0.000 2.046 337 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 337 L C 2.917 179.837 176.870 0.083 0.000 1.077 337 L CA 1.181 56.073 54.840 0.086 0.000 0.747 337 L CB -0.695 41.273 42.059 -0.151 0.000 0.896 337 L HN 0.233 nan 8.230 nan 0.000 0.432 338 A N 0.317 123.130 122.820 -0.011 0.000 1.902 338 A HA -0.249 4.070 4.320 -0.000 0.000 0.217 338 A C 1.988 179.572 177.584 0.001 0.000 1.181 338 A CA 2.188 54.222 52.037 -0.006 0.000 0.623 338 A CB -0.878 18.095 19.000 -0.046 0.000 0.818 338 A HN 0.549 nan 8.150 nan 0.000 0.443 339 N N -1.178 117.487 118.700 -0.058 0.000 2.289 339 N HA -0.124 4.616 4.740 -0.000 0.000 0.184 339 N C 0.851 176.216 175.510 -0.242 0.000 1.016 339 N CA 0.896 53.843 53.050 -0.171 0.000 0.872 339 N CB -0.142 38.178 38.487 -0.279 0.000 0.973 339 N HN 0.551 nan 8.380 nan 0.000 0.433 340 H N -1.170 117.943 119.070 0.073 0.000 2.517 340 H HA 0.222 4.778 4.556 -0.000 0.000 0.282 340 H C 1.343 176.747 175.328 0.127 0.000 1.023 340 H CA 0.677 56.782 56.048 0.094 0.000 1.169 340 H CB 0.783 30.606 29.762 0.103 0.000 1.454 340 H HN 0.365 nan 8.280 nan 0.000 0.556 341 G N 0.535 109.456 108.800 0.200 0.000 2.218 341 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.216 341 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.216 341 G C -0.183 174.887 174.900 0.283 0.000 0.994 341 G CA -0.119 45.106 45.100 0.209 0.000 0.637 341 G HN 0.340 nan 8.290 nan 0.000 0.505 342 W N 3.781 125.096 121.300 0.026 0.000 2.309 342 W HA 0.792 5.452 4.660 0.000 0.000 0.332 342 W C -0.021 176.384 176.519 -0.190 0.000 0.962 342 W CA -1.207 56.033 57.345 -0.174 0.000 1.497 342 W CB 0.300 29.558 29.460 -0.337 0.000 1.308 342 W HN 0.067 nan 8.180 nan 0.000 0.384 343 S N 4.419 120.249 115.700 0.217 0.000 2.646 343 S HA 0.222 4.692 4.470 -0.000 0.000 0.276 343 S C 0.416 175.035 174.600 0.032 0.000 1.222 343 S CA -0.331 57.904 58.200 0.057 0.000 1.014 343 S CB 0.889 64.132 63.200 0.071 0.000 0.991 343 S HN 0.479 nan 8.310 nan 0.000 0.533 344 N N -0.125 118.504 118.700 -0.119 0.000 2.754 344 N HA -0.160 4.580 4.740 -0.000 0.000 0.248 344 N C -0.456 174.883 175.510 -0.285 0.000 1.093 344 N CA 0.791 53.755 53.050 -0.143 0.000 0.699 344 N CB -1.346 37.222 38.487 0.136 0.000 1.016 344 N HN 0.713 nan 8.380 nan 0.000 0.552 345 A N 0.068 122.485 122.820 -0.672 0.000 2.328 345 A HA 0.706 5.026 4.320 -0.000 0.000 0.284 345 A C 0.029 177.013 177.584 -0.999 0.000 1.160 345 A CA -0.102 51.361 52.037 -0.958 0.000 0.818 345 A CB 0.400 18.348 19.000 -1.753 0.000 1.087 345 A HN 0.188 nan 8.150 nan 0.000 0.504 346 F N 0.414 120.045 119.950 -0.530 0.000 2.613 346 F HA 0.814 5.341 4.527 -0.000 0.000 0.342 346 F C -0.298 175.215 175.800 -0.479 0.000 1.066 346 F CA -0.456 57.371 58.000 -0.288 0.000 1.002 346 F CB 1.756 40.752 39.000 -0.007 0.000 1.319 346 F HN 0.495 nan 8.300 nan 0.000 0.495 347 F N 0.837 120.886 119.950 0.165 0.000 2.620 347 F HA 0.718 5.245 4.527 -0.000 0.000 0.320 347 F C -0.424 175.300 175.800 -0.127 0.000 1.069 347 F CA -1.362 56.651 58.000 0.022 0.000 0.953 347 F CB 1.792 40.725 39.000 -0.112 0.000 1.322 347 F HN 0.232 nan 8.300 nan 0.000 0.479 348 I N -1.304 119.215 120.570 -0.085 0.000 2.730 348 I HA 0.847 5.017 4.170 -0.000 0.000 0.298 348 I C -1.253 174.762 176.117 -0.170 0.000 1.089 348 I CA -0.593 60.508 61.300 -0.332 0.000 1.041 348 I CB 2.474 40.093 38.000 -0.635 0.000 1.235 348 I HN 0.442 nan 8.210 nan 0.000 0.423 349 T N 2.401 116.855 114.554 -0.166 0.000 2.881 349 T HA 0.247 4.597 4.350 -0.000 0.000 0.290 349 T C -0.960 173.765 174.700 0.041 0.000 1.000 349 T CA -0.294 61.800 62.100 -0.009 0.000 0.978 349 T CB 1.561 70.477 68.868 0.081 0.000 0.997 349 T HN 0.654 nan 8.240 nan 0.000 0.443 350 D N 2.114 122.547 120.400 0.056 0.000 2.383 350 D HA 0.140 4.780 4.640 -0.000 0.000 0.252 350 D C 0.329 176.702 176.300 0.122 0.000 1.166 350 D CA 0.125 54.171 54.000 0.077 0.000 0.879 350 D CB 0.888 41.699 40.800 0.019 0.000 1.164 350 D HN 0.309 nan 8.370 nan 0.000 0.462 351 Q N 2.229 122.125 119.800 0.161 0.000 2.093 351 Q HA 0.177 4.517 4.340 -0.000 0.000 0.217 351 Q C 1.558 177.505 176.000 -0.088 0.000 0.785 351 Q CA -0.093 55.786 55.803 0.127 0.000 1.038 351 Q CB 1.191 30.050 28.738 0.201 0.000 1.190 351 Q HN 0.663 nan 8.270 nan 0.000 0.468 352 G N 1.241 109.804 108.800 -0.395 0.000 2.462 352 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.220 352 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.220 352 G C 1.186 175.751 174.900 -0.558 0.000 1.121 352 G CA 0.434 44.889 45.100 -1.076 0.000 0.758 352 G HN 0.153 nan 8.290 nan 0.000 0.559 353 R N -0.278 120.069 120.500 -0.255 0.000 2.668 353 R HA 0.274 4.614 4.340 -0.000 0.000 0.435 353 R C 0.421 176.753 176.300 0.052 0.000 1.059 353 R CA -0.051 55.983 56.100 -0.110 0.000 1.073 353 R CB 0.849 31.139 30.300 -0.017 0.000 1.401 353 R HN 0.150 nan 8.270 nan 0.000 0.590 354 S N -0.486 115.234 115.700 0.032 0.000 2.559 354 S HA 0.067 4.536 4.470 -0.000 0.000 0.226 354 S C 1.657 176.314 174.600 0.095 0.000 1.000 354 S CA 0.052 58.318 58.200 0.110 0.000 0.948 354 S CB 1.188 64.472 63.200 0.141 0.000 0.870 354 S HN 0.570 nan 8.310 nan 0.000 0.497 355 G N 1.994 110.832 108.800 0.065 0.000 2.450 355 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.220 355 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.220 355 G C 0.577 175.504 174.900 0.045 0.000 1.130 355 G CA 0.624 45.764 45.100 0.067 0.000 0.760 355 G HN 0.380 nan 8.290 nan 0.000 0.557 356 K N 0.815 121.230 120.400 0.026 0.000 2.263 356 K HA 0.327 4.647 4.320 -0.000 0.000 0.272 356 K C -0.818 175.802 176.600 0.033 0.000 1.033 356 K CA -0.416 55.877 56.287 0.010 0.000 0.884 356 K CB 0.595 33.076 32.500 -0.030 0.000 1.107 356 K HN -0.003 nan 8.250 nan 0.000 0.460 357 Q N 4.033 123.855 119.800 0.036 0.000 2.323 357 Q HA 0.400 4.739 4.340 -0.000 0.000 0.271 357 Q C -2.195 173.813 176.000 0.013 0.000 1.048 357 Q CA -1.849 53.983 55.803 0.050 0.000 0.792 357 Q CB 1.773 30.550 28.738 0.065 0.000 1.280 357 Q HN 0.680 nan 8.270 nan 0.000 0.441 358 P HA 0.176 nan 4.420 nan 0.000 0.276 358 P C -0.011 177.351 177.300 0.102 0.000 1.252 358 P CA -0.213 62.932 63.100 0.074 0.000 0.802 358 P CB 0.678 32.382 31.700 0.007 0.000 1.035 359 T N -3.055 111.596 114.554 0.162 0.000 2.793 359 T HA 0.340 4.690 4.350 -0.000 0.000 0.299 359 T C 1.296 175.975 174.700 -0.035 0.000 1.038 359 T CA 0.034 62.133 62.100 -0.002 0.000 0.948 359 T CB -0.108 68.690 68.868 -0.117 0.000 1.231 359 T HN 0.449 nan 8.240 nan 0.000 0.538 360 G N -0.628 108.088 108.800 -0.140 0.000 3.233 360 G HA2 0.169 4.129 3.960 -0.000 0.000 0.227 360 G HA3 0.169 4.129 3.960 -0.000 0.000 0.227 360 G C 0.337 175.130 174.900 -0.179 0.000 1.175 360 G CA -0.404 44.621 45.100 -0.125 0.000 0.781 360 G HN 0.713 nan 8.290 nan 0.000 0.542 361 Q N 0.075 119.684 119.800 -0.319 0.000 2.274 361 Q HA 0.133 4.473 4.340 -0.000 0.000 0.280 361 Q C 1.042 176.882 176.000 -0.267 0.000 1.047 361 Q CA 0.128 55.684 55.803 -0.412 0.000 0.907 361 Q CB 0.928 29.219 28.738 -0.746 0.000 1.171 361 Q HN 0.379 nan 8.270 nan 0.000 0.381 362 Q N 1.441 121.161 119.800 -0.134 0.000 2.269 362 Q HA -0.038 4.302 4.340 -0.000 0.000 0.201 362 Q C -0.152 175.862 176.000 0.024 0.000 0.946 362 Q CA 0.881 56.668 55.803 -0.027 0.000 0.877 362 Q CB 0.598 29.321 28.738 -0.025 0.000 0.963 362 Q HN 0.531 nan 8.270 nan 0.000 0.472 363 Q N -1.731 118.064 119.800 -0.008 0.000 2.345 363 Q HA 0.057 4.397 4.340 -0.000 0.000 0.275 363 Q C -0.733 175.345 176.000 0.130 0.000 1.063 363 Q CA -0.661 55.206 55.803 0.107 0.000 0.819 363 Q CB 1.080 29.885 28.738 0.111 0.000 1.356 363 Q HN 0.167 nan 8.270 nan 0.000 0.418 364 W N 2.249 123.603 121.300 0.091 0.000 2.350 364 W HA -0.048 4.612 4.660 0.000 0.000 0.289 364 W C 1.444 178.044 176.519 0.134 0.000 1.215 364 W CA 2.096 59.517 57.345 0.127 0.000 1.236 364 W CB -0.273 29.395 29.460 0.347 0.000 1.130 364 W HN 0.895 nan 8.180 nan 0.000 0.541 365 G N -0.470 108.526 108.800 0.328 0.000 2.679 365 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.212 365 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.212 365 G C 0.063 175.100 174.900 0.228 0.000 1.137 365 G CA -0.000 45.224 45.100 0.208 0.000 0.787 365 G HN -0.013 nan 8.290 nan 0.000 0.534 366 D N 0.598 121.088 120.400 0.149 0.000 2.339 366 D HA 0.111 4.751 4.640 -0.000 0.000 0.256 366 D C 1.074 177.414 176.300 0.066 0.000 1.214 366 D CA -0.436 53.575 54.000 0.018 0.000 0.877 366 D CB 0.455 41.212 40.800 -0.072 0.000 1.111 366 D HN 0.605 nan 8.370 nan 0.000 0.478 367 W N 1.194 122.531 121.300 0.062 0.000 2.865 367 W HA 0.177 4.837 4.660 -0.000 0.000 0.300 367 W C -0.076 176.541 176.519 0.163 0.000 1.096 367 W CA -0.514 56.925 57.345 0.156 0.000 1.524 367 W CB -0.443 29.044 29.460 0.045 0.000 0.991 367 W HN 0.223 nan 8.180 nan 0.000 0.571 368 c N 5.691 123.868 118.600 -0.704 0.000 2.464 368 c HA 0.206 4.776 4.570 -0.000 0.000 0.370 368 c C 1.063 175.020 174.090 -0.222 0.000 1.267 368 c CA -0.224 55.765 56.329 -0.566 0.000 1.781 368 c CB -1.521 40.352 42.510 -1.062 0.000 2.431 368 c HN 0.346 nan 8.230 nan 0.000 0.556 369 N N 3.917 122.551 118.700 -0.111 0.000 2.698 369 N HA -0.159 4.581 4.740 -0.000 0.000 0.258 369 N C -0.111 175.403 175.510 0.006 0.000 0.978 369 N CA 0.639 53.557 53.050 -0.221 0.000 0.777 369 N CB -0.940 37.502 38.487 -0.076 0.000 0.907 369 N HN 0.617 nan 8.380 nan 0.000 0.543 370 V N 1.508 121.386 119.914 -0.060 0.000 2.617 370 V HA -0.025 4.094 4.120 -0.000 0.000 0.304 370 V C 1.622 177.663 176.094 -0.088 0.000 1.040 370 V CA -0.186 61.970 62.300 -0.239 0.000 1.149 370 V CB 0.212 31.561 31.823 -0.790 0.000 0.914 370 V HN 0.314 nan 8.190 nan 0.000 0.487 371 I N 1.955 122.451 120.570 -0.123 0.000 2.823 371 I HA 0.686 4.856 4.170 -0.000 0.000 0.290 371 I C 1.115 177.115 176.117 -0.195 0.000 1.091 371 I CA 0.134 61.349 61.300 -0.142 0.000 1.365 371 I CB 0.436 38.370 38.000 -0.109 0.000 1.427 371 I HN 0.828 nan 8.210 nan 0.000 0.583 372 G N 2.628 111.304 108.800 -0.206 0.000 2.198 372 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.257 372 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.257 372 G C 0.073 174.866 174.900 -0.177 0.000 1.042 372 G CA 0.340 45.336 45.100 -0.174 0.000 0.791 372 G HN 1.303 nan 8.290 nan 0.000 0.502 373 T N -2.464 111.947 114.554 -0.238 0.000 2.940 373 T HA 0.930 5.280 4.350 -0.000 0.000 0.288 373 T C 0.306 174.855 174.700 -0.251 0.000 1.045 373 T CA 0.023 62.013 62.100 -0.184 0.000 1.018 373 T CB 2.946 71.755 68.868 -0.098 0.000 1.151 373 T HN 1.708 nan 8.240 nan 0.000 0.529 374 G N 0.030 108.717 108.800 -0.188 0.000 2.692 374 G HA2 0.567 4.527 3.960 -0.000 0.000 0.291 374 G HA3 0.567 4.527 3.960 -0.000 0.000 0.291 374 G C -1.367 173.427 174.900 -0.177 0.000 1.423 374 G CA -0.991 43.970 45.100 -0.231 0.000 0.843 374 G HN 0.580 nan 8.290 nan 0.000 0.486 375 F N 0.676 120.589 119.950 -0.061 0.000 2.563 375 F HA 0.442 4.969 4.527 -0.000 0.000 0.363 375 F C 1.379 177.197 175.800 0.030 0.000 1.123 375 F CA 1.352 59.295 58.000 -0.094 0.000 1.307 375 F CB 1.103 40.225 39.000 0.204 0.000 1.115 375 F HN 0.574 nan 8.300 nan 0.000 0.592 376 G N 2.426 111.350 108.800 0.208 0.000 3.008 376 G HA2 0.491 4.451 3.960 -0.000 0.000 0.181 376 G HA3 0.491 4.451 3.960 -0.000 0.000 0.181 376 G C -0.385 174.717 174.900 0.337 0.000 1.309 376 G CA -1.088 44.144 45.100 0.218 0.000 1.009 376 G HN 0.526 nan 8.290 nan 0.000 0.584 377 I N 1.892 122.547 120.570 0.143 0.000 2.906 377 I HA -0.029 4.141 4.170 -0.000 0.000 0.301 377 I C 0.621 176.817 176.117 0.131 0.000 1.221 377 I CA 0.019 61.288 61.300 -0.052 0.000 1.435 377 I CB 0.235 37.922 38.000 -0.522 0.000 1.345 377 I HN 0.175 nan 8.210 nan 0.000 0.558 378 R N 6.836 127.318 120.500 -0.029 0.000 2.590 378 R HA 0.234 4.574 4.340 -0.000 0.000 0.274 378 R C -2.287 173.890 176.300 -0.205 0.000 1.061 378 R CA -1.879 54.094 56.100 -0.211 0.000 1.081 378 R CB -0.437 29.716 30.300 -0.246 0.000 0.984 378 R HN 0.279 nan 8.270 nan 0.000 0.448 379 P HA -0.036 nan 4.420 nan 0.000 0.261 379 P C -0.466 176.794 177.300 -0.068 0.000 1.183 379 P CA 0.761 63.770 63.100 -0.151 0.000 0.761 379 P CB 0.617 32.185 31.700 -0.220 0.000 0.785 380 S N 2.140 117.842 115.700 0.003 0.000 2.556 380 S HA 0.543 5.012 4.470 -0.000 0.000 0.280 380 S C 0.334 174.885 174.600 -0.081 0.000 1.141 380 S CA -0.086 58.117 58.200 0.005 0.000 0.883 380 S CB 0.699 63.941 63.200 0.071 0.000 1.103 380 S HN 0.256 nan 8.310 nan 0.000 0.453 381 A N 3.186 125.956 122.820 -0.084 0.000 2.178 381 A HA 0.285 4.605 4.320 -0.000 0.000 0.211 381 A C 0.533 178.054 177.584 -0.105 0.000 1.157 381 A CA 0.276 52.234 52.037 -0.131 0.000 0.780 381 A CB -0.638 18.348 19.000 -0.023 0.000 0.828 381 A HN 0.799 nan 8.150 nan 0.000 0.476 382 N N 0.921 119.598 118.700 -0.038 0.000 2.968 382 N HA 0.163 4.903 4.740 -0.000 0.000 0.271 382 N C 0.889 176.412 175.510 0.021 0.000 1.174 382 N CA 0.430 53.478 53.050 -0.002 0.000 1.096 382 N CB 0.599 39.103 38.487 0.028 0.000 1.403 382 N HN 0.411 nan 8.380 nan 0.000 0.522 383 T N -2.308 112.186 114.554 -0.099 0.000 3.065 383 T HA 0.136 4.486 4.350 -0.000 0.000 0.252 383 T C 1.614 176.342 174.700 0.047 0.000 1.099 383 T CA 0.238 62.218 62.100 -0.200 0.000 1.063 383 T CB 0.064 68.542 68.868 -0.650 0.000 0.948 383 T HN 0.402 nan 8.240 nan 0.000 0.506 384 G N 1.159 110.003 108.800 0.074 0.000 2.225 384 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.267 384 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.267 384 G C -0.298 174.702 174.900 0.166 0.000 1.024 384 G CA 0.417 45.593 45.100 0.127 0.000 0.784 384 G HN 0.853 nan 8.290 nan 0.000 0.507 385 D N -1.869 118.617 120.400 0.144 0.000 2.879 385 D HA 0.593 5.232 4.640 -0.000 0.000 0.236 385 D C 1.472 177.880 176.300 0.179 0.000 1.171 385 D CA 0.218 54.352 54.000 0.224 0.000 0.868 385 D CB 0.988 42.015 40.800 0.378 0.000 1.598 385 D HN 0.183 nan 8.370 nan 0.000 0.497 386 S N 2.501 118.332 115.700 0.218 0.000 2.423 386 S HA -0.098 4.372 4.470 -0.000 0.000 0.231 386 S C 1.536 176.287 174.600 0.252 0.000 1.014 386 S CA 0.600 58.925 58.200 0.208 0.000 0.965 386 S CB -0.180 63.136 63.200 0.193 0.000 0.785 386 S HN 0.589 nan 8.310 nan 0.000 0.495 387 L N -0.372 120.952 121.223 0.169 0.000 2.515 387 L HA 0.442 4.782 4.340 -0.000 0.000 0.223 387 L C 0.294 177.348 176.870 0.306 0.000 1.079 387 L CA -0.155 54.787 54.840 0.169 0.000 0.857 387 L CB 0.072 42.016 42.059 -0.191 0.000 1.050 387 L HN 0.249 nan 8.230 nan 0.000 0.476 388 L N 0.698 122.000 121.223 0.132 0.000 2.283 388 L HA 0.151 4.491 4.340 -0.000 0.000 0.287 388 L C 0.824 177.620 176.870 -0.123 0.000 1.073 388 L CA 0.338 55.148 54.840 -0.051 0.000 0.822 388 L CB 0.575 42.403 42.059 -0.385 0.000 1.186 388 L HN -0.052 nan 8.230 nan 0.000 0.436 389 D N 1.279 121.640 120.400 -0.066 0.000 2.144 389 D HA -0.021 4.619 4.640 -0.000 0.000 0.200 389 D C 0.335 176.410 176.300 -0.374 0.000 0.978 389 D CA 0.977 54.910 54.000 -0.113 0.000 0.833 389 D CB 0.405 41.265 40.800 0.099 0.000 0.961 389 D HN 0.455 nan 8.370 nan 0.000 0.470 390 S N -1.701 113.626 115.700 -0.622 0.000 2.586 390 S HA 0.334 4.804 4.470 -0.000 0.000 0.277 390 S C -1.789 172.360 174.600 -0.751 0.000 1.131 390 S CA -0.804 56.912 58.200 -0.807 0.000 0.848 390 S CB -0.039 62.372 63.200 -1.315 0.000 1.091 390 S HN -0.135 nan 8.310 nan 0.000 0.453 391 F N 2.729 122.415 119.950 -0.439 0.000 2.396 391 F HA 0.621 5.148 4.527 -0.000 0.000 0.343 391 F C 0.771 176.438 175.800 -0.221 0.000 1.104 391 F CA -0.155 57.653 58.000 -0.320 0.000 1.161 391 F CB 1.574 40.425 39.000 -0.248 0.000 1.146 391 F HN 0.504 nan 8.300 nan 0.000 0.522 392 V N -0.786 119.199 119.914 0.117 0.000 3.160 392 V HA 0.585 4.705 4.120 -0.000 0.000 0.310 392 V C -1.925 174.455 176.094 0.477 0.000 1.181 392 V CA -1.110 61.313 62.300 0.205 0.000 1.047 392 V CB 2.255 34.173 31.823 0.160 0.000 1.068 392 V HN 0.625 nan 8.190 nan 0.000 0.441 393 W N 1.648 123.054 121.300 0.177 0.000 2.394 393 W HA 0.748 5.408 4.660 -0.000 0.000 0.312 393 W C 0.451 177.117 176.519 0.246 0.000 0.981 393 W CA -1.168 56.280 57.345 0.172 0.000 1.519 393 W CB 0.983 30.537 29.460 0.157 0.000 1.304 393 W HN 0.495 nan 8.180 nan 0.000 0.412 394 V N 1.638 121.721 119.914 0.281 0.000 2.283 394 V HA -0.087 4.033 4.120 -0.000 0.000 0.239 394 V C 1.060 177.461 176.094 0.513 0.000 1.035 394 V CA 0.913 63.321 62.300 0.179 0.000 1.018 394 V CB -0.584 31.110 31.823 -0.215 0.000 0.658 394 V HN 0.107 nan 8.190 nan 0.000 0.459 395 K N 2.837 123.471 120.400 0.390 0.000 2.349 395 K HA 0.178 4.498 4.320 -0.000 0.000 0.289 395 K C -2.778 173.916 176.600 0.156 0.000 1.064 395 K CA -1.969 54.478 56.287 0.266 0.000 0.947 395 K CB 0.562 33.081 32.500 0.032 0.000 1.007 395 K HN 0.175 nan 8.250 nan 0.000 0.478 396 P HA 0.128 nan 4.420 nan 0.000 0.276 396 P C -0.380 177.036 177.300 0.193 0.000 1.253 396 P CA -0.300 62.854 63.100 0.090 0.000 0.766 396 P CB 1.168 32.923 31.700 0.092 0.000 0.845 397 G N 2.443 111.424 108.800 0.302 0.000 2.334 397 G HA2 0.366 4.326 3.960 -0.000 0.000 0.261 397 G HA3 0.366 4.326 3.960 -0.000 0.000 0.261 397 G C 1.001 176.191 174.900 0.484 0.000 1.257 397 G CA 0.373 45.678 45.100 0.341 0.000 0.935 397 G HN 0.789 nan 8.290 nan 0.000 0.480 398 G N 1.926 110.817 108.800 0.151 0.000 2.352 398 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.204 398 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.204 398 G C 0.249 174.868 174.900 -0.468 0.000 1.004 398 G CA -0.057 44.837 45.100 -0.343 0.000 0.648 398 G HN 0.706 nan 8.290 nan 0.000 0.491 399 E N 0.848 121.026 120.200 -0.037 0.000 2.223 399 E HA 0.425 4.775 4.350 -0.000 0.000 0.282 399 E C 0.459 177.048 176.600 -0.018 0.000 1.046 399 E CA -0.376 56.064 56.400 0.067 0.000 0.857 399 E CB 1.521 31.332 29.700 0.185 0.000 1.055 399 E HN 0.320 nan 8.360 nan 0.000 0.409 400 C N 3.503 122.816 119.300 0.022 0.000 2.665 400 C HA -0.051 4.409 4.460 -0.000 0.000 0.416 400 C C 1.308 176.286 174.990 -0.021 0.000 1.305 400 C CA -0.116 58.913 59.018 0.018 0.000 1.903 400 C CB -0.237 27.498 27.740 -0.008 0.000 2.704 400 C HN 0.760 nan 8.230 nan 0.000 0.629 401 D N 1.211 121.603 120.400 -0.012 0.000 2.305 401 D HA 0.253 4.893 4.640 -0.000 0.000 0.206 401 D C 0.750 177.144 176.300 0.157 0.000 0.974 401 D CA 1.354 55.402 54.000 0.080 0.000 0.871 401 D CB 0.329 41.225 40.800 0.160 0.000 0.947 401 D HN 0.911 nan 8.370 nan 0.000 0.516 402 G N -0.822 108.021 108.800 0.070 0.000 2.340 402 G HA2 0.220 4.179 3.960 -0.000 0.000 0.298 402 G HA3 0.220 4.179 3.960 -0.000 0.000 0.298 402 G C -1.143 173.763 174.900 0.009 0.000 1.498 402 G CA -0.693 44.453 45.100 0.076 0.000 0.847 402 G HN -0.104 nan 8.290 nan 0.000 0.594 403 T N -0.902 113.680 114.554 0.047 0.000 2.909 403 T HA 0.496 4.846 4.350 -0.000 0.000 0.289 403 T C 1.625 176.429 174.700 0.173 0.000 1.005 403 T CA 0.664 62.792 62.100 0.047 0.000 1.084 403 T CB 0.850 69.758 68.868 0.066 0.000 0.975 403 T HN 1.501 nan 8.240 nan 0.000 0.509 404 S N 2.173 117.935 115.700 0.102 0.000 2.556 404 S HA 0.142 4.612 4.470 -0.000 0.000 0.216 404 S C 0.313 174.943 174.600 0.051 0.000 0.970 404 S CA -0.475 57.845 58.200 0.200 0.000 0.912 404 S CB 0.040 63.280 63.200 0.067 0.000 0.790 404 S HN 0.719 nan 8.310 nan 0.000 0.504 405 D N 2.949 123.320 120.400 -0.047 0.000 2.338 405 D HA 0.238 4.878 4.640 -0.000 0.000 0.255 405 D C 1.306 177.223 176.300 -0.637 0.000 1.237 405 D CA 0.184 54.039 54.000 -0.242 0.000 0.883 405 D CB 1.433 42.159 40.800 -0.122 0.000 1.087 405 D HN 0.274 nan 8.370 nan 0.000 0.485 406 S N 1.717 116.870 115.700 -0.912 0.000 2.423 406 S HA -0.169 4.301 4.470 -0.000 0.000 0.231 406 S C 1.643 175.941 174.600 -0.504 0.000 1.014 406 S CA 0.894 58.370 58.200 -1.206 0.000 0.965 406 S CB -0.280 62.456 63.200 -0.773 0.000 0.785 406 S HN 0.394 nan 8.310 nan 0.000 0.495 407 S N 0.937 116.461 115.700 -0.294 0.000 2.631 407 S HA 0.612 5.082 4.470 -0.000 0.000 0.217 407 S C 0.523 175.075 174.600 -0.081 0.000 0.958 407 S CA -0.194 57.921 58.200 -0.142 0.000 0.920 407 S CB -0.286 62.850 63.200 -0.106 0.000 0.776 407 S HN 0.727 nan 8.310 nan 0.000 0.517 408 A N 2.274 125.045 122.820 -0.080 0.000 2.303 408 A HA 0.773 5.093 4.320 -0.000 0.000 0.317 408 A C -2.701 174.928 177.584 0.075 0.000 1.149 408 A CA -1.945 50.093 52.037 0.002 0.000 0.822 408 A CB 0.154 19.161 19.000 0.011 0.000 1.131 408 A HN 0.295 nan 8.150 nan 0.000 0.493 409 P HA 0.300 nan 4.420 nan 0.000 0.272 409 P C -0.148 177.219 177.300 0.112 0.000 1.230 409 P CA -0.135 63.015 63.100 0.083 0.000 0.788 409 P CB 0.386 32.118 31.700 0.054 0.000 0.949 410 R N -1.407 119.160 120.500 0.112 0.000 3.989 410 R HA -0.206 4.134 4.340 -0.000 0.000 0.377 410 R C -0.047 176.337 176.300 0.141 0.000 1.158 410 R CA 0.404 56.566 56.100 0.104 0.000 1.035 410 R CB -3.068 27.281 30.300 0.081 0.000 1.557 410 R HN 0.510 nan 8.270 nan 0.000 0.551 411 F N 2.946 122.919 119.950 0.039 0.000 2.578 411 F HA 0.190 4.717 4.527 -0.000 0.000 0.381 411 F C 0.499 176.338 175.800 0.065 0.000 1.069 411 F CA -0.528 57.494 58.000 0.037 0.000 1.231 411 F CB 0.446 39.455 39.000 0.015 0.000 1.086 411 F HN -0.032 nan 8.300 nan 0.000 0.564 412 D N 3.940 123.915 120.400 -0.709 0.000 2.408 412 D HA 0.124 4.764 4.640 -0.000 0.000 0.243 412 D C 0.748 176.468 176.300 -0.967 0.000 1.075 412 D CA -0.009 53.662 54.000 -0.549 0.000 0.832 412 D CB 1.948 42.727 40.800 -0.035 0.000 1.162 412 D HN 0.654 nan 8.370 nan 0.000 0.515 413 S N 2.859 118.092 115.700 -0.778 0.000 2.469 413 S HA -0.209 4.261 4.470 -0.000 0.000 0.238 413 S C 1.380 175.767 174.600 -0.355 0.000 0.998 413 S CA 0.958 58.834 58.200 -0.540 0.000 0.957 413 S CB -0.446 62.587 63.200 -0.278 0.000 0.764 413 S HN 0.597 nan 8.310 nan 0.000 0.514 414 H N 0.125 119.009 119.070 -0.310 0.000 2.491 414 H HA 0.123 4.679 4.556 -0.000 0.000 0.290 414 H C 1.628 176.679 175.328 -0.462 0.000 1.050 414 H CA 1.266 57.088 56.048 -0.377 0.000 1.309 414 H CB -0.368 29.093 29.762 -0.502 0.000 1.392 414 H HN 0.489 nan 8.280 nan 0.000 0.554 415 c N -0.103 118.320 118.600 -0.294 0.000 2.626 415 c HA 0.372 4.942 4.570 -0.000 0.000 0.266 415 c C 2.233 176.291 174.090 -0.054 0.000 1.317 415 c CA 0.564 56.765 56.329 -0.213 0.000 1.716 415 c CB -0.990 41.430 42.510 -0.149 0.000 1.819 415 c HN 0.620 nan 8.230 nan 0.000 0.578 416 A N -0.387 122.414 122.820 -0.030 0.000 2.431 416 A HA 0.430 4.750 4.320 -0.000 0.000 0.239 416 A C 0.602 178.179 177.584 -0.012 0.000 1.230 416 A CA -0.075 51.997 52.037 0.058 0.000 0.928 416 A CB -0.018 19.110 19.000 0.214 0.000 1.006 416 A HN 0.510 nan 8.150 nan 0.000 0.520 417 L N -0.230 120.948 121.223 -0.074 0.000 2.473 417 L HA 0.132 4.472 4.340 -0.000 0.000 0.268 417 L C -1.355 175.480 176.870 -0.058 0.000 1.215 417 L CA -1.475 53.317 54.840 -0.081 0.000 0.823 417 L CB 0.435 42.422 42.059 -0.120 0.000 1.099 417 L HN 0.041 nan 8.230 nan 0.000 0.483 418 P HA -0.155 nan 4.420 nan 0.000 0.221 418 P C 0.282 177.552 177.300 -0.050 0.000 1.145 418 P CA 1.047 64.123 63.100 -0.041 0.000 0.795 418 P CB 0.022 31.700 31.700 -0.037 0.000 0.775 419 D N -1.692 118.664 120.400 -0.072 0.000 2.388 419 D HA 0.200 4.840 4.640 -0.000 0.000 0.221 419 D C 0.141 176.381 176.300 -0.099 0.000 1.133 419 D CA -0.445 53.499 54.000 -0.092 0.000 0.831 419 D CB -0.396 40.333 40.800 -0.118 0.000 0.962 419 D HN -0.021 nan 8.370 nan 0.000 0.502 420 A N 0.650 123.426 122.820 -0.073 0.000 2.304 420 A HA 0.529 4.849 4.320 -0.000 0.000 0.323 420 A C -0.554 177.048 177.584 0.029 0.000 1.195 420 A CA -0.819 51.188 52.037 -0.051 0.000 0.826 420 A CB 0.903 19.847 19.000 -0.093 0.000 1.184 420 A HN 0.235 nan 8.150 nan 0.000 0.496 421 L N 2.052 123.340 121.223 0.109 0.000 2.455 421 L HA 0.293 4.633 4.340 -0.000 0.000 0.272 421 L C 0.183 177.228 176.870 0.292 0.000 1.174 421 L CA 1.330 56.279 54.840 0.182 0.000 0.869 421 L CB 0.282 42.460 42.059 0.199 0.000 1.130 421 L HN 0.794 nan 8.230 nan 0.000 0.474 422 Q N 5.067 124.997 119.800 0.217 0.000 2.421 422 Q HA 0.578 4.918 4.340 -0.000 0.000 0.280 422 Q C -2.312 173.777 176.000 0.149 0.000 1.085 422 Q CA -1.764 54.136 55.803 0.162 0.000 0.807 422 Q CB 1.599 30.379 28.738 0.070 0.000 1.405 422 Q HN 0.559 nan 8.270 nan 0.000 0.419 423 P HA 0.408 nan 4.420 nan 0.000 0.279 423 P C -1.586 175.592 177.300 -0.203 0.000 1.239 423 P CA -0.363 62.727 63.100 -0.017 0.000 0.789 423 P CB 1.089 32.769 31.700 -0.035 0.000 0.933 424 A N 4.598 127.215 122.820 -0.337 0.000 2.330 424 A HA 0.699 5.019 4.320 -0.000 0.000 0.327 424 A C -2.330 174.953 177.584 -0.500 0.000 1.155 424 A CA -1.689 49.862 52.037 -0.810 0.000 0.803 424 A CB 0.980 19.688 19.000 -0.486 0.000 1.208 424 A HN 0.429 nan 8.150 nan 0.000 0.477 425 P HA 0.112 nan 4.420 nan 0.000 0.297 425 P C -0.340 176.876 177.300 -0.140 0.000 1.303 425 P CA -0.470 62.480 63.100 -0.250 0.000 0.753 425 P CB 0.426 32.008 31.700 -0.197 0.000 1.281 426 Q N -0.426 119.343 119.800 -0.051 0.000 2.428 426 Q HA 0.252 4.592 4.340 -0.000 0.000 0.276 426 Q C -0.160 175.847 176.000 0.011 0.000 1.059 426 Q CA -0.415 55.389 55.803 0.002 0.000 0.923 426 Q CB 0.202 28.956 28.738 0.027 0.000 1.283 426 Q HN 0.510 nan 8.270 nan 0.000 0.447 427 A N 2.118 124.961 122.820 0.037 0.000 2.546 427 A HA 0.365 4.685 4.320 -0.000 0.000 0.243 427 A C 1.161 178.777 177.584 0.053 0.000 1.063 427 A CA 0.710 52.775 52.037 0.045 0.000 0.757 427 A CB -0.678 18.364 19.000 0.070 0.000 0.991 427 A HN 1.273 nan 8.150 nan 0.000 0.503 428 G N 0.872 109.697 108.800 0.042 0.000 2.253 428 G HA2 0.101 4.061 3.960 -0.000 0.000 0.251 428 G HA3 0.101 4.061 3.960 -0.000 0.000 0.251 428 G C 0.707 175.699 174.900 0.154 0.000 0.998 428 G CA 0.636 45.785 45.100 0.082 0.000 0.621 428 G HN 2.237 nan 8.290 nan 0.000 0.524 429 A N 0.393 123.288 122.820 0.124 0.000 2.332 429 A HA 0.484 4.804 4.320 -0.000 0.000 0.258 429 A C 0.468 178.185 177.584 0.221 0.000 1.087 429 A CA 0.107 52.242 52.037 0.163 0.000 0.802 429 A CB 0.246 19.303 19.000 0.094 0.000 1.042 429 A HN 0.928 nan 8.150 nan 0.000 0.489 430 W N 2.454 123.802 121.300 0.081 0.000 2.251 430 W HA 0.294 4.953 4.660 -0.000 0.000 0.327 430 W C -1.403 175.236 176.519 0.200 0.000 1.361 430 W CA 0.163 57.574 57.345 0.110 0.000 1.234 430 W CB 0.633 30.108 29.460 0.026 0.000 1.212 430 W HN 0.466 nan 8.180 nan 0.000 0.557 431 F N 6.929 126.540 119.950 -0.565 0.000 2.453 431 F HA 0.109 4.636 4.527 -0.000 0.000 0.358 431 F C 1.073 176.637 175.800 -0.394 0.000 1.129 431 F CA -1.275 56.534 58.000 -0.317 0.000 1.200 431 F CB 0.333 39.209 39.000 -0.207 0.000 1.431 431 F HN 0.476 nan 8.300 nan 0.000 0.503 432 Q N 4.211 124.048 119.800 0.062 0.000 2.062 432 Q HA -0.192 4.148 4.340 -0.000 0.000 0.209 432 Q C 2.006 178.062 176.000 0.093 0.000 0.996 432 Q CA 2.828 58.722 55.803 0.153 0.000 0.859 432 Q CB -0.136 28.790 28.738 0.313 0.000 0.920 432 Q HN 0.675 nan 8.270 nan 0.000 0.415 433 A N -1.055 121.804 122.820 0.066 0.000 1.978 433 A HA -0.201 4.119 4.320 -0.000 0.000 0.220 433 A C 2.024 179.400 177.584 -0.346 0.000 1.170 433 A CA 1.582 53.571 52.037 -0.081 0.000 0.636 433 A CB -1.008 18.006 19.000 0.023 0.000 0.810 433 A HN 0.640 nan 8.150 nan 0.000 0.448 434 Y N -1.453 118.340 120.300 -0.845 0.000 2.263 434 Y HA -0.103 4.447 4.550 0.000 0.000 0.292 434 Y C 1.971 177.603 175.900 -0.447 0.000 1.130 434 Y CA 1.706 59.316 58.100 -0.817 0.000 1.179 434 Y CB -0.351 37.401 38.460 -1.179 0.000 0.998 434 Y HN 0.377 nan 8.280 nan 0.000 0.532 435 F N -0.406 119.328 119.950 -0.360 0.000 2.102 435 F HA -0.215 4.312 4.527 -0.000 0.000 0.298 435 F C 2.069 177.774 175.800 -0.159 0.000 1.105 435 F CA 1.755 59.623 58.000 -0.221 0.000 1.239 435 F CB -0.790 38.153 39.000 -0.096 0.000 0.991 435 F HN -0.156 nan 8.300 nan 0.000 0.474 436 V N 0.867 120.721 119.914 -0.100 0.000 2.407 436 V HA -0.344 3.776 4.120 -0.000 0.000 0.248 436 V C 2.452 178.372 176.094 -0.290 0.000 1.055 436 V CA 2.240 64.447 62.300 -0.155 0.000 1.049 436 V CB -0.993 30.822 31.823 -0.014 0.000 0.662 436 V HN 0.524 nan 8.190 nan 0.000 0.455 437 Q N -0.126 119.441 119.800 -0.388 0.000 2.020 437 Q HA -0.212 4.128 4.340 -0.000 0.000 0.202 437 Q C 2.305 178.006 176.000 -0.497 0.000 0.982 437 Q CA 1.976 57.511 55.803 -0.448 0.000 0.838 437 Q CB -0.190 28.170 28.738 -0.630 0.000 0.899 437 Q HN 0.608 nan 8.270 nan 0.000 0.423 438 L N 0.409 121.211 121.223 -0.702 0.000 2.042 438 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 438 L C 2.568 179.120 176.870 -0.530 0.000 1.076 438 L CA 0.665 55.005 54.840 -0.833 0.000 0.749 438 L CB -0.475 40.721 42.059 -1.438 0.000 0.893 438 L HN 0.336 nan 8.230 nan 0.000 0.432 439 L N -0.646 120.331 121.223 -0.410 0.000 2.056 439 L HA -0.168 4.172 4.340 -0.000 0.000 0.207 439 L C 2.436 179.305 176.870 -0.001 0.000 1.078 439 L CA 2.015 56.810 54.840 -0.075 0.000 0.749 439 L CB -0.666 41.214 42.059 -0.298 0.000 0.901 439 L HN 0.127 nan 8.230 nan 0.000 0.433 440 T N -0.091 114.402 114.554 -0.102 0.000 2.821 440 T HA -0.070 4.280 4.350 -0.000 0.000 0.267 440 T C 1.387 176.063 174.700 -0.040 0.000 1.046 440 T CA 1.425 63.490 62.100 -0.059 0.000 1.139 440 T CB -0.236 68.576 68.868 -0.093 0.000 0.871 440 T HN 0.322 nan 8.240 nan 0.000 0.454 441 N N 1.239 119.888 118.700 -0.085 0.000 2.322 441 N HA 0.303 5.043 4.740 -0.000 0.000 0.194 441 N C 0.322 175.831 175.510 -0.002 0.000 1.126 441 N CA -0.120 52.891 53.050 -0.065 0.000 0.845 441 N CB -0.012 38.398 38.487 -0.128 0.000 0.976 441 N HN 0.367 nan 8.380 nan 0.000 0.475 442 A N 1.350 124.224 122.820 0.090 0.000 2.531 442 A HA 0.177 4.497 4.320 -0.000 0.000 0.236 442 A C 0.376 178.031 177.584 0.118 0.000 1.062 442 A CA 0.285 52.453 52.037 0.218 0.000 0.760 442 A CB -0.068 19.244 19.000 0.520 0.000 0.995 442 A HN 0.294 nan 8.150 nan 0.000 0.501 443 N N 1.740 120.502 118.700 0.105 0.000 2.655 443 N HA 0.399 5.139 4.740 -0.000 0.000 0.277 443 N C -3.313 172.216 175.510 0.031 0.000 1.177 443 N CA -1.365 51.707 53.050 0.036 0.000 0.882 443 N CB 1.544 40.048 38.487 0.029 0.000 1.481 443 N HN 0.221 nan 8.380 nan 0.000 0.547 444 P HA 0.018 nan 4.420 nan 0.000 0.265 444 P C -0.309 176.887 177.300 -0.173 0.000 1.187 444 P CA 0.081 63.113 63.100 -0.113 0.000 0.766 444 P CB 0.595 32.189 31.700 -0.176 0.000 0.820 445 S N 1.444 117.068 115.700 -0.126 0.000 2.592 445 S HA 0.240 4.710 4.470 -0.000 0.000 0.271 445 S C 0.453 174.943 174.600 -0.184 0.000 1.326 445 S CA -0.233 57.924 58.200 -0.071 0.000 1.024 445 S CB -0.228 62.969 63.200 -0.005 0.000 0.921 445 S HN 0.252 nan 8.310 nan 0.000 0.527 446 F N 2.061 122.044 119.950 0.056 0.000 2.622 446 F HA 0.385 4.912 4.527 -0.000 0.000 0.288 446 F C 0.876 176.695 175.800 0.032 0.000 1.120 446 F CA -0.085 57.941 58.000 0.042 0.000 1.423 446 F CB 0.048 39.079 39.000 0.052 0.000 1.127 446 F HN 0.331 nan 8.300 nan 0.000 0.588 447 L N 0.000 121.342 121.223 0.199 0.000 2.949 447 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 447 L CA 0.000 54.911 54.840 0.118 0.000 0.813 447 L CB 0.000 42.115 42.059 0.094 0.000 0.961 447 L HN 0.000 nan 8.230 nan 0.000 0.502