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 1hgw_1_B DATA FIRST_RESID 85 DATA SEQUENCE TATYSGNPFV GVTPWANAYY ASEVSSLAIP SLTGAMATAA AAVAKVPSFM DATA SEQUENCE WLDTLDKTPL MEQTLADIRT ANKNGGNYAG QFVVYDLPDR AcAALASNGE 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 0.000 174.712 174.700 0.021 0.000 1.109 85 T CA 0.000 62.105 62.100 0.008 0.000 1.349 85 T CB 0.000 68.874 68.868 0.010 0.000 0.612 86 A N 2.457 125.292 122.820 0.025 0.000 1.898 86 A HA 0.176 4.496 4.320 0.000 0.000 0.216 86 A C 1.663 179.302 177.584 0.093 0.000 1.181 86 A CA 1.646 53.708 52.037 0.041 0.000 0.620 86 A CB -0.778 18.242 19.000 0.034 0.000 0.819 86 A HN 0.986 nan 8.150 nan 0.000 0.442 87 T N -2.074 112.525 114.554 0.075 0.000 2.813 87 T HA 0.445 4.795 4.350 0.000 0.000 0.297 87 T C -0.274 174.517 174.700 0.151 0.000 1.036 87 T CA 0.322 62.474 62.100 0.087 0.000 1.044 87 T CB 0.515 69.371 68.868 -0.019 0.000 0.993 87 T HN 0.920 nan 8.240 nan 0.000 0.535 88 Y N -2.103 118.173 120.300 -0.039 0.000 2.625 88 Y HA 0.745 5.295 4.550 0.000 0.000 0.338 88 Y C -1.087 174.790 175.900 -0.038 0.000 1.123 88 Y CA -1.502 56.573 58.100 -0.041 0.000 1.046 88 Y CB 0.974 39.402 38.460 -0.053 0.000 1.299 88 Y HN 0.681 nan 8.280 nan 0.000 0.464 89 S N 1.274 116.970 115.700 -0.007 0.000 2.561 89 S HA 0.708 5.178 4.470 0.000 0.000 0.303 89 S C 0.307 174.944 174.600 0.061 0.000 1.110 89 S CA -0.173 57.989 58.200 -0.063 0.000 1.034 89 S CB 0.963 64.138 63.200 -0.042 0.000 1.010 89 S HN 1.739 nan 8.310 nan 0.000 0.482 90 G N 3.985 112.809 108.800 0.039 0.000 2.509 90 G HA2 -0.253 3.707 3.960 0.000 0.000 0.256 90 G HA3 -0.253 3.707 3.960 0.000 0.000 0.256 90 G C -0.191 174.733 174.900 0.040 0.000 1.152 90 G CA -0.200 44.896 45.100 -0.007 0.000 0.951 90 G HN 0.711 nan 8.290 nan 0.000 0.559 91 N N 3.232 121.896 118.700 -0.059 0.000 2.427 91 N HA 0.265 5.005 4.740 0.000 0.000 0.269 91 N C -0.419 175.090 175.510 -0.002 0.000 1.235 91 N CA -1.073 51.955 53.050 -0.036 0.000 0.934 91 N CB 1.254 39.718 38.487 -0.038 0.000 1.121 91 N HN 0.285 nan 8.380 nan 0.000 0.480 92 P HA -0.072 nan 4.420 nan 0.000 0.230 92 P C 0.623 177.639 177.300 -0.473 0.000 1.158 92 P CA 0.894 63.608 63.100 -0.642 0.000 0.769 92 P CB 0.001 31.092 31.700 -1.015 0.000 0.807 93 F N -0.582 119.290 119.950 -0.131 0.000 2.754 93 F HA 0.065 4.592 4.527 0.000 0.000 0.297 93 F C 1.359 177.118 175.800 -0.069 0.000 1.122 93 F CA 0.065 58.012 58.000 -0.088 0.000 1.400 93 F CB -0.146 38.813 39.000 -0.070 0.000 1.117 93 F HN -0.346 nan 8.300 nan 0.000 0.587 94 V N 0.339 120.298 119.914 0.074 0.000 2.530 94 V HA 0.456 4.576 4.120 0.000 0.000 0.282 94 V C 1.060 177.161 176.094 0.012 0.000 1.048 94 V CA 0.374 62.700 62.300 0.043 0.000 0.997 94 V CB 0.520 32.363 31.823 0.034 0.000 0.987 94 V HN 0.521 nan 8.190 nan 0.000 0.477 95 G N 3.647 112.452 108.800 0.007 0.000 2.176 95 G HA2 -0.139 3.821 3.960 0.000 0.000 0.253 95 G HA3 -0.139 3.821 3.960 0.000 0.000 0.253 95 G C -0.013 174.871 174.900 -0.027 0.000 0.979 95 G CA 0.300 45.396 45.100 -0.007 0.000 0.641 95 G HN 1.567 nan 8.290 nan 0.000 0.530 96 V N -3.945 115.953 119.914 -0.028 0.000 3.167 96 V HA 0.977 5.097 4.120 0.000 0.000 0.310 96 V C -0.262 175.822 176.094 -0.016 0.000 1.207 96 V CA -0.313 61.961 62.300 -0.044 0.000 1.059 96 V CB 1.955 33.737 31.823 -0.068 0.000 1.079 96 V HN 0.517 nan 8.190 nan 0.000 0.446 97 T N 2.586 117.133 114.554 -0.011 0.000 2.847 97 T HA 0.561 4.911 4.350 0.000 0.000 0.291 97 T C -2.907 171.916 174.700 0.204 0.000 0.998 97 T CA -1.017 61.120 62.100 0.061 0.000 0.967 97 T CB 1.557 70.401 68.868 -0.040 0.000 0.954 97 T HN 0.692 nan 8.240 nan 0.000 0.441 98 P HA -0.001 nan 4.420 nan 0.000 0.264 98 P C -0.498 176.921 177.300 0.199 0.000 1.193 98 P CA -0.412 62.762 63.100 0.125 0.000 0.763 98 P CB 0.486 32.236 31.700 0.083 0.000 0.810 99 W N 5.093 126.359 121.300 -0.057 0.000 2.345 99 W HA 0.442 5.103 4.660 0.000 0.000 0.308 99 W C -0.792 175.622 176.519 -0.175 0.000 1.273 99 W CA -0.751 56.501 57.345 -0.156 0.000 1.243 99 W CB 0.683 30.020 29.460 -0.204 0.000 1.260 99 W HN 0.346 nan 8.180 nan 0.000 0.509 100 A N 6.091 128.517 122.820 -0.656 0.000 2.350 100 A HA 0.173 4.493 4.320 0.000 0.000 0.293 100 A C 0.095 177.243 177.584 -0.727 0.000 1.231 100 A CA -0.437 51.297 52.037 -0.503 0.000 0.883 100 A CB -0.374 18.382 19.000 -0.406 0.000 1.133 100 A HN 0.731 nan 8.150 nan 0.000 0.533 101 N N 2.037 120.613 118.700 -0.208 0.000 2.444 101 N HA 0.368 5.108 4.740 0.000 0.000 0.255 101 N C 0.892 176.457 175.510 0.091 0.000 1.255 101 N CA 0.143 53.239 53.050 0.078 0.000 0.933 101 N CB 0.944 39.591 38.487 0.267 0.000 1.143 101 N HN 0.417 nan 8.380 nan 0.000 0.453 102 A N 0.478 123.415 122.820 0.195 0.000 2.014 102 A HA -0.118 4.202 4.320 0.000 0.000 0.218 102 A C 1.816 179.485 177.584 0.142 0.000 1.163 102 A CA 0.677 52.789 52.037 0.126 0.000 0.652 102 A CB -1.226 17.867 19.000 0.156 0.000 0.808 102 A HN 0.815 nan 8.150 nan 0.000 0.449 103 Y N -1.147 119.223 120.300 0.116 0.000 2.089 103 Y HA -0.295 4.255 4.550 0.000 0.000 0.282 103 Y C 2.266 178.222 175.900 0.093 0.000 1.139 103 Y CA 2.418 60.586 58.100 0.114 0.000 1.123 103 Y CB -0.641 37.929 38.460 0.184 0.000 0.980 103 Y HN 0.405 nan 8.280 nan 0.000 0.493 104 Y N 0.406 120.851 120.300 0.241 0.000 2.181 104 Y HA -0.223 4.327 4.550 0.000 0.000 0.288 104 Y C 2.447 178.300 175.900 -0.077 0.000 1.146 104 Y CA 1.563 59.740 58.100 0.128 0.000 1.164 104 Y CB -0.966 37.635 38.460 0.236 0.000 0.982 104 Y HN 0.211 nan 8.280 nan 0.000 0.515 105 A N -1.077 121.712 122.820 -0.051 0.000 1.908 105 A HA -0.246 4.074 4.320 0.000 0.000 0.218 105 A C 2.523 179.923 177.584 -0.307 0.000 1.181 105 A CA 2.099 54.025 52.037 -0.185 0.000 0.627 105 A CB -1.412 17.525 19.000 -0.105 0.000 0.818 105 A HN 0.512 nan 8.150 nan 0.000 0.445 106 S N -0.595 114.936 115.700 -0.281 0.000 2.368 106 S HA -0.197 4.273 4.470 0.000 0.000 0.225 106 S C 1.892 176.186 174.600 -0.510 0.000 1.030 106 S CA 1.623 59.628 58.200 -0.325 0.000 0.999 106 S CB -0.400 62.640 63.200 -0.268 0.000 0.844 106 S HN 0.660 nan 8.310 nan 0.000 0.459 107 E N 0.079 119.865 120.200 -0.690 0.000 2.058 107 E HA -0.123 4.227 4.350 0.000 0.000 0.194 107 E C 2.161 177.938 176.600 -1.370 0.000 0.997 107 E CA 1.605 57.366 56.400 -1.064 0.000 0.801 107 E CB -0.261 28.737 29.700 -1.170 0.000 0.746 107 E HN 0.403 nan 8.360 nan 0.000 0.450 108 V N 0.856 120.062 119.914 -1.180 0.000 2.270 108 V HA -0.228 3.892 4.120 0.000 0.000 0.245 108 V C 2.257 177.999 176.094 -0.586 0.000 1.043 108 V CA 1.935 63.658 62.300 -0.963 0.000 1.014 108 V CB -0.389 31.034 31.823 -0.668 0.000 0.645 108 V HN 0.185 nan 8.190 nan 0.000 0.447 109 S N -0.243 115.195 115.700 -0.438 0.000 2.406 109 S HA -0.111 4.359 4.470 0.000 0.000 0.228 109 S C 2.065 176.506 174.600 -0.265 0.000 1.020 109 S CA 1.527 59.558 58.200 -0.281 0.000 0.965 109 S CB -0.062 63.010 63.200 -0.213 0.000 0.798 109 S HN 0.585 nan 8.310 nan 0.000 0.488 110 S N 0.399 115.895 115.700 -0.339 0.000 2.497 110 S HA 0.350 4.820 4.470 0.000 0.000 0.218 110 S C 1.395 175.814 174.600 -0.302 0.000 1.023 110 S CA 0.007 58.042 58.200 -0.275 0.000 0.913 110 S CB 0.175 63.225 63.200 -0.249 0.000 0.800 110 S HN 0.320 nan 8.310 nan 0.000 0.505 111 L N 0.006 120.940 121.223 -0.483 0.000 2.575 111 L HA 0.411 4.751 4.340 0.000 0.000 0.228 111 L C 2.148 178.825 176.870 -0.322 0.000 1.075 111 L CA 0.541 55.105 54.840 -0.461 0.000 0.867 111 L CB -0.189 41.398 42.059 -0.787 0.000 1.097 111 L HN 0.274 nan 8.230 nan 0.000 0.485 112 A N 0.442 123.021 122.820 -0.403 0.000 1.944 112 A HA 0.135 4.455 4.320 0.000 0.000 0.209 112 A C 2.047 179.615 177.584 -0.027 0.000 1.328 112 A CA 0.166 52.133 52.037 -0.116 0.000 0.693 112 A CB -0.354 18.448 19.000 -0.330 0.000 0.994 112 A HN 0.110 nan 8.150 nan 0.000 0.485 113 I N 0.665 121.180 120.570 -0.091 0.000 2.145 113 I HA -0.214 3.956 4.170 0.000 0.000 0.244 113 I C -0.709 175.402 176.117 -0.011 0.000 1.075 113 I CA 1.733 63.018 61.300 -0.025 0.000 1.332 113 I CB -1.211 36.753 38.000 -0.060 0.000 1.033 113 I HN 0.209 nan 8.210 nan 0.000 0.410 114 P HA -0.126 nan 4.420 nan 0.000 0.220 114 P C 1.213 178.519 177.300 0.010 0.000 1.144 114 P CA 1.344 64.431 63.100 -0.021 0.000 0.800 114 P CB 0.032 31.707 31.700 -0.042 0.000 0.772 115 S N -1.598 114.122 115.700 0.032 0.000 2.577 115 S HA 0.215 4.685 4.470 0.000 0.000 0.219 115 S C 0.590 175.234 174.600 0.073 0.000 0.962 115 S CA -0.006 58.230 58.200 0.059 0.000 0.921 115 S CB -0.237 63.016 63.200 0.089 0.000 0.789 115 S HN 0.026 nan 8.310 nan 0.000 0.497 116 L N 0.299 121.563 121.223 0.068 0.000 2.279 116 L HA 0.683 5.023 4.340 0.000 0.000 0.262 116 L C -0.140 176.760 176.870 0.052 0.000 1.019 116 L CA -0.613 54.273 54.840 0.076 0.000 0.823 116 L CB 2.165 44.290 42.059 0.110 0.000 1.358 116 L HN -0.048 nan 8.230 nan 0.000 0.432 117 T N -1.240 113.344 114.554 0.050 0.000 2.816 117 T HA 0.574 4.924 4.350 0.000 0.000 0.299 117 T C 0.106 174.829 174.700 0.038 0.000 1.230 117 T CA 0.087 62.209 62.100 0.037 0.000 1.007 117 T CB 1.673 70.559 68.868 0.030 0.000 1.289 117 T HN 1.048 nan 8.240 nan 0.000 0.508 118 G N 1.229 110.048 108.800 0.031 0.000 2.602 118 G HA2 -0.107 3.853 3.960 0.000 0.000 0.317 118 G HA3 -0.107 3.853 3.960 0.000 0.000 0.317 118 G C 1.432 176.355 174.900 0.039 0.000 1.327 118 G CA 1.016 46.135 45.100 0.031 0.000 0.971 118 G HN 1.513 nan 8.290 nan 0.000 0.540 119 A N -1.881 120.963 122.820 0.040 0.000 1.896 119 A HA -0.211 4.109 4.320 0.000 0.000 0.220 119 A C 2.661 180.283 177.584 0.063 0.000 1.206 119 A CA 3.849 55.916 52.037 0.049 0.000 0.647 119 A CB -0.458 18.568 19.000 0.045 0.000 0.828 119 A HN 0.731 nan 8.150 nan 0.000 0.455 120 M N -0.785 118.852 119.600 0.061 0.000 2.108 120 M HA -0.173 4.307 4.480 0.000 0.000 0.261 120 M C 2.541 178.897 176.300 0.093 0.000 1.066 120 M CA 1.733 57.078 55.300 0.076 0.000 1.107 120 M CB -1.654 30.988 32.600 0.070 0.000 1.356 120 M HN 0.534 nan 8.290 nan 0.000 0.406 121 A N -0.404 122.462 122.820 0.077 0.000 1.877 121 A HA -0.153 4.167 4.320 0.000 0.000 0.216 121 A C 2.323 179.946 177.584 0.065 0.000 1.186 121 A CA 2.367 54.448 52.037 0.073 0.000 0.620 121 A CB -1.134 17.894 19.000 0.048 0.000 0.822 121 A HN 0.495 nan 8.150 nan 0.000 0.443 122 T N 0.130 114.719 114.554 0.058 0.000 2.777 122 T HA 0.050 4.400 4.350 0.000 0.000 0.266 122 T C 2.226 176.968 174.700 0.069 0.000 1.040 122 T CA 1.395 63.527 62.100 0.053 0.000 1.141 122 T CB -0.422 68.476 68.868 0.050 0.000 0.868 122 T HN 0.593 nan 8.240 nan 0.000 0.444 123 A N 1.619 124.494 122.820 0.091 0.000 1.908 123 A HA 0.090 4.410 4.320 0.000 0.000 0.218 123 A C 2.658 180.261 177.584 0.032 0.000 1.181 123 A CA 1.920 54.028 52.037 0.118 0.000 0.627 123 A CB -1.173 17.919 19.000 0.153 0.000 0.818 123 A HN 0.503 nan 8.150 nan 0.000 0.445 124 A N -0.093 122.777 122.820 0.084 0.000 1.908 124 A HA 0.097 4.417 4.320 0.000 0.000 0.218 124 A C 2.521 180.145 177.584 0.067 0.000 1.181 124 A CA 2.295 54.436 52.037 0.172 0.000 0.627 124 A CB -1.107 18.090 19.000 0.328 0.000 0.818 124 A HN 1.170 nan 8.150 nan 0.000 0.445 125 A N -0.224 122.612 122.820 0.027 0.000 1.940 125 A HA 0.092 4.412 4.320 0.000 0.000 0.219 125 A C 2.471 180.039 177.584 -0.028 0.000 1.176 125 A CA 2.240 54.269 52.037 -0.013 0.000 0.631 125 A CB -0.944 18.051 19.000 -0.008 0.000 0.814 125 A HN 1.117 nan 8.150 nan 0.000 0.446 126 A N -0.654 122.155 122.820 -0.019 0.000 1.930 126 A HA 0.061 4.381 4.320 0.000 0.000 0.217 126 A C 2.178 179.699 177.584 -0.105 0.000 1.175 126 A CA 1.574 53.610 52.037 -0.000 0.000 0.627 126 A CB -0.808 18.276 19.000 0.139 0.000 0.815 126 A HN 0.400 nan 8.150 nan 0.000 0.443 127 V N 0.058 119.767 119.914 -0.341 0.000 2.407 127 V HA -0.271 3.849 4.120 0.000 0.000 0.248 127 V C 2.979 179.072 176.094 -0.001 0.000 1.055 127 V CA 1.799 63.834 62.300 -0.442 0.000 1.049 127 V CB -1.278 30.281 31.823 -0.439 0.000 0.662 127 V HN 0.595 nan 8.190 nan 0.000 0.455 128 A N -0.470 122.369 122.820 0.032 0.000 2.131 128 A HA -0.223 4.097 4.320 0.000 0.000 0.220 128 A C 2.154 179.757 177.584 0.031 0.000 1.158 128 A CA 1.704 53.780 52.037 0.065 0.000 0.665 128 A CB -0.400 18.554 19.000 -0.076 0.000 0.795 128 A HN 0.599 nan 8.150 nan 0.000 0.460 129 K N -0.634 119.747 120.400 -0.031 0.000 2.374 129 K HA 0.214 4.534 4.320 0.000 0.000 0.196 129 K C -0.484 176.048 176.600 -0.113 0.000 1.023 129 K CA -0.140 56.094 56.287 -0.090 0.000 1.103 129 K CB 0.572 33.028 32.500 -0.074 0.000 0.848 129 K HN 0.253 nan 8.250 nan 0.000 0.528 130 V N 3.729 123.578 119.914 -0.108 0.000 2.432 130 V HA 0.134 4.254 4.120 0.000 0.000 0.271 130 V C -2.335 173.623 176.094 -0.227 0.000 1.046 130 V CA -2.089 60.057 62.300 -0.256 0.000 0.945 130 V CB 0.775 32.305 31.823 -0.487 0.000 0.992 130 V HN 0.021 nan 8.190 nan 0.000 0.471 131 P HA 0.165 nan 4.420 nan 0.000 0.266 131 P C -0.453 176.814 177.300 -0.055 0.000 1.215 131 P CA 0.301 63.313 63.100 -0.146 0.000 0.763 131 P CB 0.435 32.067 31.700 -0.113 0.000 0.806 132 S N 2.429 118.140 115.700 0.018 0.000 2.599 132 S HA 0.641 5.111 4.470 0.000 0.000 0.287 132 S C -0.595 174.120 174.600 0.192 0.000 1.105 132 S CA -0.815 57.510 58.200 0.208 0.000 0.899 132 S CB 0.730 63.993 63.200 0.105 0.000 1.100 132 S HN 0.026 nan 8.310 nan 0.000 0.482 133 F N 1.586 121.596 119.950 0.100 0.000 2.418 133 F HA 0.391 4.918 4.527 -0.000 0.000 0.341 133 F C 0.689 176.571 175.800 0.137 0.000 1.120 133 F CA -0.782 57.229 58.000 0.019 0.000 1.232 133 F CB 0.879 39.846 39.000 -0.055 0.000 1.175 133 F HN 0.603 nan 8.300 nan 0.000 0.569 134 M N 3.746 123.438 119.600 0.153 0.000 2.157 134 M HA 0.319 4.799 4.480 0.000 0.000 0.354 134 M C -1.722 174.808 176.300 0.383 0.000 1.170 134 M CA -0.477 54.999 55.300 0.293 0.000 1.060 134 M CB 0.662 33.397 32.600 0.225 0.000 1.615 134 M HN 0.518 nan 8.290 nan 0.000 0.460 135 W N 6.213 127.628 121.300 0.192 0.000 2.322 135 W HA 0.364 5.024 4.660 -0.000 0.000 0.307 135 W C -0.738 175.908 176.519 0.211 0.000 1.220 135 W CA -0.402 57.073 57.345 0.217 0.000 1.210 135 W CB 0.448 30.012 29.460 0.174 0.000 1.223 135 W HN 0.534 nan 8.180 nan 0.000 0.511 136 L N 5.274 126.754 121.223 0.429 0.000 2.598 136 L HA 0.097 4.437 4.340 0.000 0.000 0.241 136 L C 1.226 178.362 176.870 0.444 0.000 1.244 136 L CA -0.189 54.873 54.840 0.369 0.000 1.198 136 L CB -0.253 41.988 42.059 0.304 0.000 1.448 136 L HN 0.507 nan 8.230 nan 0.000 0.406 137 D N -0.497 120.157 120.400 0.424 0.000 2.363 137 D HA -0.046 4.594 4.640 0.000 0.000 0.226 137 D C 0.516 176.897 176.300 0.134 0.000 1.020 137 D CA 0.344 54.565 54.000 0.369 0.000 0.892 137 D CB 0.218 41.284 40.800 0.444 0.000 0.900 137 D HN 0.432 nan 8.370 nan 0.000 0.531 138 T N -3.680 110.961 114.554 0.144 0.000 2.853 138 T HA 0.272 4.622 4.350 0.000 0.000 0.311 138 T C 0.514 175.319 174.700 0.174 0.000 1.307 138 T CA -0.897 61.227 62.100 0.039 0.000 1.019 138 T CB 1.553 70.432 68.868 0.018 0.000 1.264 138 T HN -0.122 nan 8.240 nan 0.000 0.497 139 L N 1.000 122.326 121.223 0.171 0.000 2.079 139 L HA 0.042 4.382 4.340 0.000 0.000 0.210 139 L C 1.817 178.793 176.870 0.177 0.000 1.081 139 L CA 1.977 56.999 54.840 0.303 0.000 0.752 139 L CB -0.979 41.263 42.059 0.305 0.000 0.896 139 L HN 0.777 nan 8.230 nan 0.000 0.433 140 D N -0.400 120.070 120.400 0.117 0.000 2.354 140 D HA -0.152 4.488 4.640 0.000 0.000 0.216 140 D C 1.725 178.080 176.300 0.093 0.000 0.970 140 D CA 0.607 54.661 54.000 0.090 0.000 0.905 140 D CB 0.070 40.912 40.800 0.071 0.000 0.903 140 D HN 0.354 nan 8.370 nan 0.000 0.508 141 K N 0.120 120.589 120.400 0.115 0.000 2.361 141 K HA 0.006 4.326 4.320 0.000 0.000 0.196 141 K C 2.041 178.679 176.600 0.064 0.000 1.039 141 K CA 0.369 56.715 56.287 0.099 0.000 1.001 141 K CB -0.095 32.489 32.500 0.140 0.000 0.795 141 K HN 0.277 nan 8.250 nan 0.000 0.495 142 T N -0.635 113.953 114.554 0.056 0.000 2.788 142 T HA -0.068 4.282 4.350 0.000 0.000 0.268 142 T C -1.117 173.563 174.700 -0.033 0.000 1.044 142 T CA 0.604 62.689 62.100 -0.024 0.000 1.139 142 T CB -1.156 67.689 68.868 -0.038 0.000 0.867 142 T HN 0.005 nan 8.240 nan 0.000 0.454 143 P HA 0.041 nan 4.420 nan 0.000 0.218 143 P C 1.692 179.001 177.300 0.014 0.000 1.149 143 P CA 0.438 63.547 63.100 0.014 0.000 0.817 143 P CB -0.167 31.555 31.700 0.037 0.000 0.785 144 L N -1.394 119.845 121.223 0.027 0.000 2.093 144 L HA -0.077 4.263 4.340 0.000 0.000 0.208 144 L C 2.283 179.171 176.870 0.030 0.000 1.085 144 L CA 1.784 56.654 54.840 0.051 0.000 0.755 144 L CB -1.296 40.794 42.059 0.052 0.000 0.904 144 L HN 0.129 nan 8.230 nan 0.000 0.435 145 M N -0.351 119.213 119.600 -0.059 0.000 2.086 145 M HA -0.262 4.218 4.480 0.000 0.000 0.261 145 M C 2.158 178.304 176.300 -0.256 0.000 1.067 145 M CA 1.886 57.035 55.300 -0.251 0.000 1.116 145 M CB -0.099 32.190 32.600 -0.519 0.000 1.348 145 M HN 0.233 nan 8.290 nan 0.000 0.407 146 E N -0.120 119.972 120.200 -0.181 0.000 2.051 146 E HA -0.276 4.074 4.350 0.000 0.000 0.192 146 E C 1.891 178.399 176.600 -0.154 0.000 0.991 146 E CA 1.774 58.081 56.400 -0.154 0.000 0.799 146 E CB -0.135 29.561 29.700 -0.007 0.000 0.748 146 E HN 0.659 nan 8.360 nan 0.000 0.449 147 Q N -0.296 119.472 119.800 -0.055 0.000 2.077 147 Q HA -0.164 4.176 4.340 0.000 0.000 0.206 147 Q C 2.293 178.263 176.000 -0.049 0.000 0.989 147 Q CA 2.295 58.088 55.803 -0.016 0.000 0.853 147 Q CB -0.155 28.610 28.738 0.045 0.000 0.907 147 Q HN 0.317 nan 8.270 nan 0.000 0.418 148 T N 1.352 115.897 114.554 -0.014 0.000 2.708 148 T HA -0.119 4.231 4.350 0.000 0.000 0.266 148 T C 1.836 176.390 174.700 -0.244 0.000 1.037 148 T CA 0.979 63.081 62.100 0.004 0.000 1.146 148 T CB -0.218 68.787 68.868 0.229 0.000 0.865 148 T HN 0.176 nan 8.240 nan 0.000 0.435 149 L N 0.630 121.647 121.223 -0.344 0.000 2.201 149 L HA -0.029 4.311 4.340 0.000 0.000 0.212 149 L C 2.969 179.429 176.870 -0.683 0.000 1.105 149 L CA 0.839 55.298 54.840 -0.636 0.000 0.775 149 L CB -0.612 40.808 42.059 -1.065 0.000 0.913 149 L HN 0.250 nan 8.230 nan 0.000 0.440 150 A N -0.006 122.525 122.820 -0.482 0.000 1.873 150 A HA -0.219 4.101 4.320 0.000 0.000 0.215 150 A C 1.920 179.401 177.584 -0.171 0.000 1.186 150 A CA 1.876 53.816 52.037 -0.162 0.000 0.616 150 A CB -0.459 18.528 19.000 -0.022 0.000 0.823 150 A HN 0.315 nan 8.150 nan 0.000 0.442 151 D N 0.136 120.395 120.400 -0.235 0.000 2.123 151 D HA -0.129 4.511 4.640 0.000 0.000 0.196 151 D C 1.841 177.798 176.300 -0.572 0.000 0.992 151 D CA 1.207 55.045 54.000 -0.269 0.000 0.833 151 D CB -0.360 40.355 40.800 -0.140 0.000 0.954 151 D HN 0.535 nan 8.370 nan 0.000 0.455 152 I N 0.353 120.415 120.570 -0.847 0.000 2.226 152 I HA -0.241 3.929 4.170 0.000 0.000 0.245 152 I C 2.558 178.479 176.117 -0.327 0.000 1.100 152 I CA 0.808 61.596 61.300 -0.852 0.000 1.374 152 I CB -0.158 37.400 38.000 -0.737 0.000 1.057 152 I HN -0.084 nan 8.210 nan 0.000 0.413 153 R N 0.632 121.013 120.500 -0.198 0.000 2.091 153 R HA -0.161 4.179 4.340 0.000 0.000 0.238 153 R C 2.254 178.542 176.300 -0.020 0.000 1.136 153 R CA 2.141 58.223 56.100 -0.030 0.000 0.959 153 R CB -0.342 30.023 30.300 0.109 0.000 0.856 153 R HN 0.232 nan 8.270 nan 0.000 0.437 154 T N 0.290 114.818 114.554 -0.043 0.000 2.701 154 T HA -0.092 4.258 4.350 0.000 0.000 0.263 154 T C 1.822 176.536 174.700 0.023 0.000 1.040 154 T CA 1.408 63.506 62.100 -0.004 0.000 1.147 154 T CB -0.473 68.395 68.868 -0.000 0.000 0.865 154 T HN 0.468 nan 8.240 nan 0.000 0.426 155 A N 2.387 125.213 122.820 0.011 0.000 1.948 155 A HA -0.195 4.125 4.320 0.000 0.000 0.220 155 A C 2.167 179.860 177.584 0.182 0.000 1.177 155 A CA 1.671 53.796 52.037 0.147 0.000 0.636 155 A CB -0.614 18.516 19.000 0.216 0.000 0.815 155 A HN 0.405 nan 8.150 nan 0.000 0.449 156 N N -0.255 118.512 118.700 0.111 0.000 2.354 156 N HA -0.044 4.696 4.740 0.000 0.000 0.179 156 N C 1.309 176.847 175.510 0.047 0.000 1.021 156 N CA 0.915 54.013 53.050 0.079 0.000 0.887 156 N CB -0.242 38.271 38.487 0.043 0.000 0.974 156 N HN 0.553 nan 8.380 nan 0.000 0.437 157 K N 0.342 120.767 120.400 0.042 0.000 2.515 157 K HA 0.033 4.353 4.320 0.000 0.000 0.196 157 K C 0.359 176.980 176.600 0.035 0.000 1.038 157 K CA 0.432 56.738 56.287 0.031 0.000 0.967 157 K CB 0.007 32.522 32.500 0.026 0.000 0.780 157 K HN 0.190 nan 8.250 nan 0.000 0.483 158 N N -0.688 118.042 118.700 0.050 0.000 2.672 158 N HA 0.071 4.811 4.740 0.000 0.000 0.295 158 N C -0.240 175.302 175.510 0.054 0.000 1.924 158 N CA 0.110 53.189 53.050 0.049 0.000 0.851 158 N CB 0.948 39.468 38.487 0.055 0.000 1.281 158 N HN 0.192 nan 8.380 nan 0.000 0.494 159 G N -0.085 108.736 108.800 0.036 0.000 2.194 159 G HA2 -0.221 3.739 3.960 0.000 0.000 0.236 159 G HA3 -0.221 3.739 3.960 0.000 0.000 0.236 159 G C 0.432 175.334 174.900 0.003 0.000 0.987 159 G CA -0.184 44.928 45.100 0.021 0.000 0.635 159 G HN 0.562 nan 8.290 nan 0.000 0.520 160 G N -0.532 108.291 108.800 0.039 0.000 2.572 160 G HA2 0.480 4.440 3.960 0.000 0.000 0.261 160 G HA3 0.480 4.440 3.960 0.000 0.000 0.261 160 G C 0.164 174.987 174.900 -0.129 0.000 1.197 160 G CA 0.312 45.404 45.100 -0.014 0.000 0.870 160 G HN 0.757 nan 8.290 nan 0.000 0.548 161 N N -0.266 118.214 118.700 -0.366 0.000 2.620 161 N HA 0.139 4.879 4.740 0.000 0.000 0.277 161 N C -1.325 174.024 175.510 -0.269 0.000 1.726 161 N CA -0.352 52.555 53.050 -0.238 0.000 0.840 161 N CB 0.351 38.718 38.487 -0.201 0.000 1.379 161 N HN 0.380 nan 8.380 nan 0.000 0.506 162 Y N 0.775 121.101 120.300 0.044 0.000 2.354 162 Y HA 0.685 5.235 4.550 0.000 0.000 0.322 162 Y C 0.610 176.500 175.900 -0.018 0.000 1.253 162 Y CA -0.518 57.624 58.100 0.070 0.000 1.272 162 Y CB 1.434 40.025 38.460 0.217 0.000 1.255 162 Y HN 0.128 nan 8.280 nan 0.000 0.500 163 A N 0.533 123.452 122.820 0.164 0.000 2.380 163 A HA 0.797 5.117 4.320 0.000 0.000 0.315 163 A C -0.112 177.448 177.584 -0.041 0.000 1.101 163 A CA -0.354 51.683 52.037 -0.001 0.000 0.771 163 A CB 0.825 19.767 19.000 -0.096 0.000 1.287 163 A HN 0.873 nan 8.150 nan 0.000 0.436 164 G N -0.246 108.491 108.800 -0.106 0.000 2.425 164 G HA2 0.553 4.513 3.960 0.000 0.000 0.302 164 G HA3 0.553 4.513 3.960 0.000 0.000 0.302 164 G C -0.752 173.839 174.900 -0.515 0.000 1.159 164 G CA -0.356 44.603 45.100 -0.235 0.000 0.865 164 G HN 0.699 nan 8.290 nan 0.000 0.515 165 Q N 0.303 119.461 119.800 -1.071 0.000 2.290 165 Q HA 0.493 4.833 4.340 0.000 0.000 0.269 165 Q C -1.600 173.582 176.000 -1.363 0.000 1.016 165 Q CA -0.299 54.768 55.803 -1.227 0.000 0.754 165 Q CB 2.287 30.100 28.738 -1.542 0.000 1.247 165 Q HN 0.480 nan 8.270 nan 0.000 0.451 166 F N 0.154 120.020 119.950 -0.139 0.000 2.613 166 F HA 0.590 5.117 4.527 0.000 0.000 0.314 166 F C -0.354 175.533 175.800 0.147 0.000 1.075 166 F CA -1.128 56.897 58.000 0.041 0.000 0.945 166 F CB 1.508 40.509 39.000 0.001 0.000 1.310 166 F HN 0.101 nan 8.300 nan 0.000 0.467 167 V N 2.540 122.556 119.914 0.169 0.000 2.417 167 V HA 0.456 4.576 4.120 0.000 0.000 0.291 167 V C -0.595 175.554 176.094 0.090 0.000 1.024 167 V CA -0.924 61.313 62.300 -0.105 0.000 0.861 167 V CB 1.664 32.933 31.823 -0.923 0.000 0.985 167 V HN 0.529 nan 8.190 nan 0.000 0.436 168 V N 5.560 125.567 119.914 0.155 0.000 2.385 168 V HA 0.308 4.428 4.120 0.000 0.000 0.269 168 V C -0.659 175.683 176.094 0.414 0.000 1.043 168 V CA -0.262 62.227 62.300 0.315 0.000 0.906 168 V CB 0.458 32.444 31.823 0.272 0.000 0.995 168 V HN 0.825 nan 8.190 nan 0.000 0.467 169 Y N 4.124 124.612 120.300 0.314 0.000 2.542 169 Y HA 0.465 5.015 4.550 0.000 0.000 0.316 169 Y C -0.279 175.723 175.900 0.169 0.000 1.107 169 Y CA -0.918 57.325 58.100 0.239 0.000 1.233 169 Y CB 0.965 39.605 38.460 0.300 0.000 1.111 169 Y HN 0.667 nan 8.280 nan 0.000 0.613 170 D N 2.792 123.163 120.400 -0.048 0.000 2.881 170 D HA 0.194 4.834 4.640 0.000 0.000 0.325 170 D C -0.537 175.745 176.300 -0.029 0.000 1.621 170 D CA 0.113 53.958 54.000 -0.259 0.000 0.785 170 D CB 0.212 40.555 40.800 -0.761 0.000 1.233 170 D HN 0.449 nan 8.370 nan 0.000 0.447 171 L N 1.801 122.925 121.223 -0.166 0.000 2.506 171 L HA 0.220 4.560 4.340 0.000 0.000 0.281 171 L C -1.696 175.078 176.870 -0.161 0.000 1.228 171 L CA -0.903 53.695 54.840 -0.404 0.000 0.850 171 L CB 0.377 42.065 42.059 -0.619 0.000 1.110 171 L HN 0.045 nan 8.230 nan 0.000 0.496 172 P HA 0.055 nan 4.420 nan 0.000 0.275 172 P C -0.748 176.605 177.300 0.089 0.000 1.227 172 P CA -0.085 63.052 63.100 0.062 0.000 0.781 172 P CB 0.859 32.593 31.700 0.057 0.000 0.906 173 D N -1.084 119.370 120.400 0.090 0.000 2.800 173 D HA -0.174 4.466 4.640 0.000 0.000 0.232 173 D C 0.498 176.899 176.300 0.167 0.000 1.137 173 D CA 0.901 54.969 54.000 0.114 0.000 0.718 173 D CB -1.221 39.652 40.800 0.121 0.000 1.084 173 D HN 0.483 nan 8.370 nan 0.000 0.432 174 R N 0.287 120.812 120.500 0.041 0.000 2.811 174 R HA 0.342 4.682 4.340 0.000 0.000 0.265 174 R C 0.753 177.085 176.300 0.053 0.000 1.026 174 R CA 0.576 56.655 56.100 -0.036 0.000 1.142 174 R CB 0.220 30.375 30.300 -0.241 0.000 1.027 174 R HN 0.335 nan 8.270 nan 0.000 0.465 175 A N 2.404 125.283 122.820 0.098 0.000 2.466 175 A HA -0.215 4.105 4.320 0.000 0.000 0.295 175 A C 1.511 179.158 177.584 0.105 0.000 1.465 175 A CA 0.915 53.019 52.037 0.112 0.000 0.744 175 A CB -2.393 16.643 19.000 0.061 0.000 1.098 175 A HN 1.063 nan 8.150 nan 0.000 0.402 176 c N -2.093 116.605 118.600 0.164 0.000 2.422 176 c HA 0.264 4.834 4.570 0.000 0.000 0.286 176 c C 2.303 176.425 174.090 0.054 0.000 1.412 176 c CA 1.164 57.548 56.329 0.092 0.000 1.786 176 c CB -1.449 41.083 42.510 0.036 0.000 1.835 176 c HN 1.891 nan 8.230 nan 0.000 0.533 177 A N 0.393 123.249 122.820 0.060 0.000 2.252 177 A HA 0.679 4.999 4.320 0.000 0.000 0.213 177 A C 1.424 179.021 177.584 0.021 0.000 1.188 177 A CA 0.627 52.685 52.037 0.036 0.000 0.863 177 A CB -0.604 18.417 19.000 0.036 0.000 0.893 177 A HN 0.834 nan 8.150 nan 0.000 0.495 178 A N -0.295 122.529 122.820 0.007 0.000 2.406 178 A HA 0.489 4.809 4.320 0.000 0.000 0.243 178 A C 0.920 178.546 177.584 0.071 0.000 1.082 178 A CA -0.184 51.861 52.037 0.015 0.000 0.786 178 A CB 0.026 19.020 19.000 -0.010 0.000 1.029 178 A HN 0.418 nan 8.150 nan 0.000 0.495 179 L N 0.165 121.459 121.223 0.119 0.000 2.492 179 L HA 0.276 4.616 4.340 0.000 0.000 0.223 179 L C 0.955 177.863 176.870 0.064 0.000 1.132 179 L CA 0.944 55.843 54.840 0.098 0.000 0.850 179 L CB -0.461 41.665 42.059 0.111 0.000 0.966 179 L HN 0.772 nan 8.230 nan 0.000 0.454 180 A N -0.968 121.893 122.820 0.068 0.000 2.540 180 A HA 0.632 4.952 4.320 0.000 0.000 0.297 180 A C -0.914 176.705 177.584 0.058 0.000 1.056 180 A CA -0.334 51.738 52.037 0.058 0.000 0.700 180 A CB 1.785 20.817 19.000 0.053 0.000 1.280 180 A HN -0.112 nan 8.150 nan 0.000 0.398 181 S N 0.530 116.258 115.700 0.047 0.000 2.569 181 S HA 0.594 5.064 4.470 0.000 0.000 0.280 181 S C -0.322 174.293 174.600 0.026 0.000 1.111 181 S CA -0.629 57.593 58.200 0.036 0.000 0.887 181 S CB 1.246 64.460 63.200 0.023 0.000 1.095 181 S HN 0.634 nan 8.310 nan 0.000 0.476 182 N N 1.501 120.210 118.700 0.016 0.000 2.184 182 N HA 0.159 4.899 4.740 0.000 0.000 0.206 182 N C 0.755 176.240 175.510 -0.043 0.000 1.151 182 N CA 0.065 53.116 53.050 0.002 0.000 0.878 182 N CB 0.512 39.014 38.487 0.024 0.000 1.014 182 N HN 0.759 nan 8.380 nan 0.000 0.512 183 G N 2.197 110.959 108.800 -0.064 0.000 2.138 183 G HA2 -0.151 3.809 3.960 0.000 0.000 0.244 183 G HA3 -0.151 3.809 3.960 0.000 0.000 0.244 183 G C 1.103 175.917 174.900 -0.142 0.000 1.166 183 G CA 0.048 45.073 45.100 -0.125 0.000 0.902 183 G HN 0.407 nan 8.290 nan 0.000 0.460 184 E N 1.669 121.706 120.200 -0.273 0.000 2.285 184 E HA -0.053 4.297 4.350 0.000 0.000 0.194 184 E C -0.460 175.932 176.600 -0.346 0.000 0.997 184 E CA 0.437 56.615 56.400 -0.370 0.000 0.845 184 E CB 0.048 29.397 29.700 -0.586 0.000 0.782 184 E HN 0.527 nan 8.360 nan 0.000 0.491 185 Y N 1.423 121.702 120.300 -0.035 0.000 2.409 185 Y HA 0.407 4.957 4.550 0.000 0.000 0.339 185 Y C 0.105 175.998 175.900 -0.013 0.000 1.033 185 Y CA -1.478 56.612 58.100 -0.018 0.000 1.094 185 Y CB 2.071 40.524 38.460 -0.011 0.000 1.210 185 Y HN 0.007 nan 8.280 nan 0.000 0.456 186 S N 1.485 117.290 115.700 0.174 0.000 2.526 186 S HA 0.523 4.993 4.470 0.000 0.000 0.293 186 S C 0.446 175.091 174.600 0.074 0.000 1.092 186 S CA -0.799 57.458 58.200 0.096 0.000 0.980 186 S CB 0.890 64.129 63.200 0.065 0.000 1.048 186 S HN 0.653 nan 8.310 nan 0.000 0.483 187 I N 1.812 122.415 120.570 0.054 0.000 2.208 187 I HA -0.188 3.982 4.170 0.000 0.000 0.245 187 I C 2.764 178.893 176.117 0.020 0.000 1.097 187 I CA 1.776 63.095 61.300 0.032 0.000 1.363 187 I CB -0.670 37.344 38.000 0.023 0.000 1.051 187 I HN 0.867 nan 8.210 nan 0.000 0.413 188 A N -0.482 122.351 122.820 0.021 0.000 2.172 188 A HA -0.190 4.130 4.320 0.000 0.000 0.216 188 A C 1.180 178.775 177.584 0.019 0.000 1.154 188 A CA 1.432 53.478 52.037 0.015 0.000 0.701 188 A CB -0.428 18.581 19.000 0.014 0.000 0.789 188 A HN 0.432 nan 8.150 nan 0.000 0.465 189 D N -1.447 118.971 120.400 0.030 0.000 2.943 189 D HA 0.400 5.040 4.640 0.000 0.000 0.347 189 D C 0.887 177.204 176.300 0.030 0.000 1.305 189 D CA 0.411 54.431 54.000 0.034 0.000 0.870 189 D CB -0.622 40.208 40.800 0.050 0.000 1.081 189 D HN 0.367 nan 8.370 nan 0.000 0.492 190 G N 0.360 109.164 108.800 0.007 0.000 2.225 190 G HA2 -0.313 3.647 3.960 0.000 0.000 0.267 190 G HA3 -0.313 3.647 3.960 0.000 0.000 0.267 190 G C 1.210 176.083 174.900 -0.046 0.000 1.024 190 G CA 0.376 45.464 45.100 -0.019 0.000 0.784 190 G HN 0.592 nan 8.290 nan 0.000 0.507 191 G N -0.436 108.355 108.800 -0.015 0.000 2.446 191 G HA2 -0.071 3.889 3.960 0.000 0.000 0.217 191 G HA3 -0.071 3.889 3.960 0.000 0.000 0.217 191 G C 1.805 176.660 174.900 -0.075 0.000 1.168 191 G CA 1.873 46.959 45.100 -0.024 0.000 0.771 191 G HN 0.890 nan 8.290 nan 0.000 0.551 192 V N 1.538 121.425 119.914 -0.045 0.000 2.287 192 V HA -0.156 3.964 4.120 0.000 0.000 0.248 192 V C 3.331 179.377 176.094 -0.080 0.000 1.053 192 V CA 2.120 64.396 62.300 -0.040 0.000 1.027 192 V CB -0.862 30.938 31.823 -0.039 0.000 0.646 192 V HN 0.488 nan 8.190 nan 0.000 0.447 193 A N -0.401 122.352 122.820 -0.112 0.000 1.930 193 A HA -0.220 4.100 4.320 0.000 0.000 0.217 193 A C 2.274 179.747 177.584 -0.184 0.000 1.175 193 A CA 1.879 53.831 52.037 -0.142 0.000 0.627 193 A CB -0.388 18.547 19.000 -0.107 0.000 0.815 193 A HN 0.562 nan 8.150 nan 0.000 0.443 194 K N -1.857 118.381 120.400 -0.269 0.000 2.097 194 K HA -0.111 4.209 4.320 0.000 0.000 0.205 194 K C 1.925 178.245 176.600 -0.466 0.000 1.050 194 K CA 1.457 57.452 56.287 -0.488 0.000 0.938 194 K CB -0.334 31.603 32.500 -0.939 0.000 0.718 194 K HN 0.576 nan 8.250 nan 0.000 0.442 195 Y N 2.370 122.412 120.300 -0.430 0.000 2.181 195 Y HA -0.220 4.330 4.550 -0.000 0.000 0.288 195 Y C 1.719 177.632 175.900 0.022 0.000 1.146 195 Y CA 1.578 59.586 58.100 -0.153 0.000 1.164 195 Y CB 0.102 38.513 38.460 -0.081 0.000 0.982 195 Y HN -0.106 nan 8.280 nan 0.000 0.515 196 K N -0.230 120.114 120.400 -0.094 0.000 2.097 196 K HA -0.235 4.085 4.320 0.000 0.000 0.206 196 K C 1.920 178.488 176.600 -0.052 0.000 1.049 196 K CA 1.546 57.691 56.287 -0.238 0.000 0.933 196 K CB -0.347 31.749 32.500 -0.673 0.000 0.717 196 K HN 0.330 nan 8.250 nan 0.000 0.442 197 N N 0.601 119.254 118.700 -0.078 0.000 2.188 197 N HA -0.221 4.519 4.740 0.000 0.000 0.184 197 N C 1.752 177.269 175.510 0.012 0.000 1.018 197 N CA 1.032 54.068 53.050 -0.022 0.000 0.858 197 N CB -0.210 38.255 38.487 -0.036 0.000 0.989 197 N HN 0.234 nan 8.380 nan 0.000 0.426 198 Y N 0.770 120.981 120.300 -0.149 0.000 2.128 198 Y HA -0.136 4.414 4.550 0.000 0.000 0.284 198 Y C 1.879 177.680 175.900 -0.164 0.000 1.154 198 Y CA 1.561 59.581 58.100 -0.133 0.000 1.149 198 Y CB -0.320 38.042 38.460 -0.165 0.000 0.976 198 Y HN 0.070 nan 8.280 nan 0.000 0.505 199 I N 0.743 121.161 120.570 -0.254 0.000 2.286 199 I HA -0.267 3.903 4.170 0.000 0.000 0.248 199 I C 1.848 177.874 176.117 -0.151 0.000 1.115 199 I CA 1.539 62.681 61.300 -0.262 0.000 1.392 199 I CB -1.323 36.665 38.000 -0.020 0.000 1.065 199 I HN 0.322 nan 8.210 nan 0.000 0.418 200 D N 0.573 120.959 120.400 -0.022 0.000 2.144 200 D HA -0.137 4.503 4.640 0.000 0.000 0.199 200 D C 2.127 178.379 176.300 -0.080 0.000 0.984 200 D CA 1.541 55.529 54.000 -0.019 0.000 0.834 200 D CB -0.258 40.565 40.800 0.038 0.000 0.955 200 D HN 0.281 nan 8.370 nan 0.000 0.465 201 T N 1.105 115.595 114.554 -0.105 0.000 2.788 201 T HA -0.053 4.297 4.350 0.000 0.000 0.268 201 T C 2.238 176.839 174.700 -0.164 0.000 1.044 201 T CA 0.537 62.571 62.100 -0.110 0.000 1.139 201 T CB -0.074 68.742 68.868 -0.086 0.000 0.867 201 T HN 0.174 nan 8.240 nan 0.000 0.454 202 I N 0.561 120.974 120.570 -0.261 0.000 2.286 202 I HA -0.093 4.077 4.170 0.000 0.000 0.245 202 I C 2.818 178.824 176.117 -0.185 0.000 1.104 202 I CA 0.992 62.128 61.300 -0.273 0.000 1.397 202 I CB -0.368 37.405 38.000 -0.379 0.000 1.072 202 I HN 0.111 nan 8.210 nan 0.000 0.417 203 R N 0.828 121.232 120.500 -0.160 0.000 2.083 203 R HA -0.219 4.121 4.340 0.000 0.000 0.237 203 R C 2.366 178.611 176.300 -0.090 0.000 1.137 203 R CA 1.557 57.585 56.100 -0.120 0.000 0.951 203 R CB -0.120 30.108 30.300 -0.120 0.000 0.851 203 R HN 0.320 nan 8.270 nan 0.000 0.434 204 Q N 0.497 120.247 119.800 -0.083 0.000 2.096 204 Q HA -0.171 4.169 4.340 0.000 0.000 0.204 204 Q C 2.211 178.181 176.000 -0.050 0.000 0.982 204 Q CA 1.577 57.342 55.803 -0.063 0.000 0.850 204 Q CB -0.208 28.498 28.738 -0.054 0.000 0.901 204 Q HN 0.506 nan 8.270 nan 0.000 0.422 205 I N -0.168 120.371 120.570 -0.053 0.000 2.252 205 I HA -0.229 3.941 4.170 0.000 0.000 0.245 205 I C 2.240 178.387 176.117 0.050 0.000 1.102 205 I CA 0.783 62.084 61.300 0.001 0.000 1.385 205 I CB -0.253 37.700 38.000 -0.080 0.000 1.064 205 I HN -0.026 nan 8.210 nan 0.000 0.414 206 V N 0.212 120.111 119.914 -0.025 0.000 2.427 206 V HA -0.193 3.927 4.120 0.000 0.000 0.248 206 V C 2.397 178.496 176.094 0.008 0.000 1.051 206 V CA 1.199 63.498 62.300 -0.003 0.000 1.048 206 V CB -0.318 31.480 31.823 -0.041 0.000 0.666 206 V HN 0.231 nan 8.190 nan 0.000 0.456 207 V N 0.079 119.976 119.914 -0.027 0.000 2.358 207 V HA -0.281 3.839 4.120 0.000 0.000 0.246 207 V C 2.473 178.528 176.094 -0.066 0.000 1.047 207 V CA 2.337 64.610 62.300 -0.044 0.000 1.035 207 V CB -0.464 31.325 31.823 -0.057 0.000 0.658 207 V HN 0.669 nan 8.190 nan 0.000 0.452 208 E N -0.428 119.718 120.200 -0.090 0.000 2.077 208 E HA -0.219 4.131 4.350 0.000 0.000 0.193 208 E C 0.833 177.231 176.600 -0.338 0.000 0.989 208 E CA 1.392 57.657 56.400 -0.225 0.000 0.800 208 E CB -0.064 29.472 29.700 -0.273 0.000 0.746 208 E HN 0.722 nan 8.360 nan 0.000 0.452 209 Y N 0.804 121.066 120.300 -0.063 0.000 2.933 209 Y HA 0.133 4.683 4.550 0.000 0.000 0.380 209 Y C 1.381 177.253 175.900 -0.047 0.000 1.056 209 Y CA 0.039 58.105 58.100 -0.058 0.000 1.704 209 Y CB 0.299 38.718 38.460 -0.069 0.000 1.558 209 Y HN 0.101 nan 8.280 nan 0.000 0.501 210 S N -1.694 114.022 115.700 0.026 0.000 2.507 210 S HA -0.175 4.295 4.470 0.000 0.000 0.235 210 S C 1.339 175.955 174.600 0.027 0.000 0.988 210 S CA 1.145 59.355 58.200 0.017 0.000 0.944 210 S CB -0.155 63.035 63.200 -0.017 0.000 0.762 210 S HN 0.647 nan 8.310 nan 0.000 0.526 211 D N 0.985 121.408 120.400 0.037 0.000 2.340 211 D HA 0.102 4.742 4.640 0.000 0.000 0.220 211 D C 0.359 176.687 176.300 0.047 0.000 1.039 211 D CA -0.053 53.967 54.000 0.034 0.000 0.866 211 D CB -0.134 40.680 40.800 0.024 0.000 0.913 211 D HN 0.471 nan 8.370 nan 0.000 0.523 212 I N 0.776 121.386 120.570 0.066 0.000 2.418 212 I HA 0.256 4.426 4.170 0.000 0.000 0.287 212 I C 0.107 176.237 176.117 0.022 0.000 1.008 212 I CA -1.205 60.117 61.300 0.037 0.000 1.104 212 I CB 2.055 40.070 38.000 0.025 0.000 1.264 212 I HN -0.321 nan 8.210 nan 0.000 0.438 213 R N 3.698 124.194 120.500 -0.007 0.000 2.449 213 R HA 0.225 4.565 4.340 0.000 0.000 0.296 213 R C -0.787 175.477 176.300 -0.059 0.000 1.047 213 R CA 0.547 56.624 56.100 -0.040 0.000 1.018 213 R CB 0.472 30.712 30.300 -0.100 0.000 0.962 213 R HN 0.569 nan 8.270 nan 0.000 0.428 214 T N 6.231 120.763 114.554 -0.037 0.000 2.809 214 T HA 0.354 4.704 4.350 0.000 0.000 0.284 214 T C -0.511 174.171 174.700 -0.031 0.000 0.992 214 T CA -0.642 61.464 62.100 0.009 0.000 0.957 214 T CB 0.708 69.630 68.868 0.090 0.000 0.942 214 T HN 0.364 nan 8.240 nan 0.000 0.439 215 L N 4.434 125.608 121.223 -0.082 0.000 2.282 215 L HA 0.657 4.997 4.340 0.000 0.000 0.288 215 L C -0.522 176.446 176.870 0.163 0.000 1.033 215 L CA -0.774 54.045 54.840 -0.034 0.000 0.807 215 L CB 0.863 42.786 42.059 -0.227 0.000 1.209 215 L HN 0.377 nan 8.230 nan 0.000 0.423 216 L N 3.641 125.042 121.223 0.296 0.000 2.388 216 L HA 0.647 4.987 4.340 0.000 0.000 0.264 216 L C -0.786 176.296 176.870 0.352 0.000 0.998 216 L CA -0.934 54.105 54.840 0.332 0.000 0.817 216 L CB 2.683 44.871 42.059 0.215 0.000 1.338 216 L HN 0.207 nan 8.230 nan 0.000 0.414 217 V N 3.729 123.788 119.914 0.242 0.000 2.417 217 V HA 0.397 4.517 4.120 0.000 0.000 0.291 217 V C -0.084 176.052 176.094 0.070 0.000 1.024 217 V CA -0.504 61.848 62.300 0.086 0.000 0.861 217 V CB 1.968 33.680 31.823 -0.185 0.000 0.985 217 V HN 0.387 nan 8.190 nan 0.000 0.436 218 I N 4.747 125.378 120.570 0.102 0.000 2.304 218 I HA 0.333 4.503 4.170 0.000 0.000 0.291 218 I C 0.569 176.756 176.117 0.116 0.000 1.018 218 I CA -0.482 60.894 61.300 0.126 0.000 1.260 218 I CB 0.686 38.769 38.000 0.139 0.000 1.390 218 I HN 0.684 nan 8.210 nan 0.000 0.475 219 E N 4.906 125.205 120.200 0.165 0.000 2.446 219 E HA -0.196 4.154 4.350 0.000 0.000 0.162 219 E C -2.297 174.405 176.600 0.170 0.000 1.797 219 E CA 0.074 56.596 56.400 0.204 0.000 0.619 219 E CB -1.121 28.637 29.700 0.097 0.000 1.050 219 E HN 0.390 nan 8.360 nan 0.000 0.321 220 P HA -0.029 nan 4.420 nan 0.000 0.265 220 P C 0.460 177.878 177.300 0.198 0.000 1.193 220 P CA 0.391 63.550 63.100 0.099 0.000 0.765 220 P CB 0.556 32.250 31.700 -0.010 0.000 0.823 221 D N -0.102 120.387 120.400 0.148 0.000 2.332 221 D HA -0.217 4.423 4.640 0.000 0.000 0.166 221 D C 1.577 177.968 176.300 0.152 0.000 1.574 221 D CA 2.207 56.319 54.000 0.187 0.000 1.598 221 D CB -1.837 39.142 40.800 0.298 0.000 1.354 221 D HN 0.490 nan 8.370 nan 0.000 0.481 222 S N 0.865 116.645 115.700 0.133 0.000 2.392 222 S HA -0.212 4.258 4.470 0.000 0.000 0.225 222 S C 2.203 176.932 174.600 0.215 0.000 1.041 222 S CA 1.954 60.227 58.200 0.122 0.000 1.100 222 S CB -0.946 62.132 63.200 -0.203 0.000 1.029 222 S HN 0.508 nan 8.310 nan 0.000 0.424 223 L N 1.660 122.964 121.223 0.135 0.000 2.093 223 L HA -0.007 4.333 4.340 0.000 0.000 0.208 223 L C 3.216 180.063 176.870 -0.039 0.000 1.085 223 L CA 1.049 55.960 54.840 0.119 0.000 0.755 223 L CB -0.939 41.265 42.059 0.243 0.000 0.904 223 L HN 0.529 nan 8.230 nan 0.000 0.435 224 A N 0.161 122.855 122.820 -0.209 0.000 1.933 224 A HA -0.201 4.119 4.320 0.000 0.000 0.218 224 A C 2.070 179.428 177.584 -0.376 0.000 1.175 224 A CA 1.679 53.294 52.037 -0.704 0.000 0.628 224 A CB -0.498 17.450 19.000 -1.752 0.000 0.814 224 A HN 0.415 nan 8.150 nan 0.000 0.444 225 N N 0.159 118.871 118.700 0.021 0.000 2.188 225 N HA -0.063 4.677 4.740 0.000 0.000 0.184 225 N C 1.561 177.155 175.510 0.140 0.000 1.018 225 N CA 1.150 54.380 53.050 0.300 0.000 0.858 225 N CB -0.373 38.303 38.487 0.315 0.000 0.989 225 N HN 0.528 nan 8.380 nan 0.000 0.426 226 L N 0.173 121.436 121.223 0.066 0.000 2.291 226 L HA -0.034 4.306 4.340 0.000 0.000 0.214 226 L C 1.979 178.835 176.870 -0.024 0.000 1.120 226 L CA 0.377 55.220 54.840 0.006 0.000 0.799 226 L CB -0.105 41.960 42.059 0.010 0.000 0.925 226 L HN -0.035 nan 8.230 nan 0.000 0.446 227 V N -0.565 119.321 119.914 -0.047 0.000 2.446 227 V HA -0.146 3.974 4.120 0.000 0.000 0.244 227 V C 2.344 178.450 176.094 0.020 0.000 1.039 227 V CA 2.179 64.441 62.300 -0.064 0.000 1.045 227 V CB -0.174 31.558 31.823 -0.151 0.000 0.681 227 V HN 0.634 nan 8.190 nan 0.000 0.459 228 T N -4.443 110.181 114.554 0.118 0.000 2.975 228 T HA 0.142 4.492 4.350 0.000 0.000 0.257 228 T C 0.963 175.740 174.700 0.128 0.000 1.003 228 T CA 0.014 62.209 62.100 0.159 0.000 0.932 228 T CB -0.023 69.030 68.868 0.308 0.000 1.087 228 T HN 0.292 nan 8.240 nan 0.000 0.512 229 N N 0.974 119.757 118.700 0.139 0.000 2.328 229 N HA 0.387 5.127 4.740 0.000 0.000 0.247 229 N C 1.072 176.602 175.510 0.035 0.000 1.165 229 N CA -0.075 53.027 53.050 0.087 0.000 0.873 229 N CB 0.447 39.005 38.487 0.120 0.000 1.125 229 N HN 0.364 nan 8.380 nan 0.000 0.513 230 L N -0.326 120.907 121.223 0.016 0.000 2.353 230 L HA -0.025 4.315 4.340 0.000 0.000 0.220 230 L C 2.088 178.950 176.870 -0.014 0.000 1.133 230 L CA 0.820 55.651 54.840 -0.015 0.000 0.798 230 L CB -0.251 41.795 42.059 -0.022 0.000 0.922 230 L HN 0.209 nan 8.230 nan 0.000 0.445 231 G N -1.121 107.677 108.800 -0.002 0.000 2.679 231 G HA2 -0.098 3.862 3.960 0.000 0.000 0.212 231 G HA3 -0.098 3.862 3.960 0.000 0.000 0.212 231 G C 0.639 175.536 174.900 -0.004 0.000 1.137 231 G CA 0.145 45.242 45.100 -0.004 0.000 0.787 231 G HN 0.211 nan 8.290 nan 0.000 0.534 232 T N 2.115 116.667 114.554 -0.002 0.000 2.738 232 T HA 0.344 4.694 4.350 0.000 0.000 0.298 232 T C -1.441 173.249 174.700 -0.016 0.000 0.962 232 T CA -1.066 61.033 62.100 -0.001 0.000 0.972 232 T CB 2.121 70.995 68.868 0.010 0.000 0.928 232 T HN -0.111 nan 8.240 nan 0.000 0.474 233 P HA -0.221 nan 4.420 nan 0.000 0.217 233 P C 1.603 178.880 177.300 -0.038 0.000 1.162 233 P CA 1.142 64.227 63.100 -0.024 0.000 0.901 233 P CB 0.254 31.945 31.700 -0.014 0.000 0.793 234 K N -0.923 119.459 120.400 -0.030 0.000 2.113 234 K HA -0.198 4.122 4.320 0.000 0.000 0.208 234 K C 1.845 178.388 176.600 -0.094 0.000 1.047 234 K CA 1.868 58.130 56.287 -0.041 0.000 0.928 234 K CB -0.596 31.896 32.500 -0.014 0.000 0.716 234 K HN 0.160 nan 8.250 nan 0.000 0.446 235 c N -0.106 118.437 118.600 -0.095 0.000 2.476 235 c HA 0.035 4.605 4.570 0.000 0.000 0.278 235 c C 2.838 176.808 174.090 -0.201 0.000 1.274 235 c CA 0.650 56.874 56.329 -0.175 0.000 1.713 235 c CB -0.857 41.602 42.510 -0.086 0.000 2.039 235 c HN 0.650 nan 8.230 nan 0.000 0.484 236 A N 1.551 124.301 122.820 -0.117 0.000 1.892 236 A HA -0.222 4.098 4.320 0.000 0.000 0.218 236 A C 1.893 179.409 177.584 -0.114 0.000 1.188 236 A CA 2.060 54.038 52.037 -0.099 0.000 0.631 236 A CB -0.707 18.257 19.000 -0.060 0.000 0.822 236 A HN 0.695 nan 8.150 nan 0.000 0.447 237 N N -0.045 118.593 118.700 -0.104 0.000 2.381 237 N HA -0.027 4.713 4.740 0.000 0.000 0.182 237 N C 1.559 176.993 175.510 -0.128 0.000 1.025 237 N CA 1.186 54.182 53.050 -0.091 0.000 0.888 237 N CB -0.252 38.198 38.487 -0.061 0.000 0.965 237 N HN 0.518 nan 8.380 nan 0.000 0.438 238 A N 0.558 123.243 122.820 -0.226 0.000 2.195 238 A HA -0.023 4.297 4.320 0.000 0.000 0.210 238 A C 2.091 179.413 177.584 -0.437 0.000 1.165 238 A CA 0.165 51.993 52.037 -0.348 0.000 0.806 238 A CB -0.182 18.474 19.000 -0.573 0.000 0.847 238 A HN 0.250 nan 8.150 nan 0.000 0.482 239 Q N 0.224 119.822 119.800 -0.338 0.000 2.029 239 Q HA -0.246 4.094 4.340 0.000 0.000 0.209 239 Q C 2.247 178.210 176.000 -0.063 0.000 0.999 239 Q CA 2.499 58.176 55.803 -0.209 0.000 0.857 239 Q CB -0.310 28.351 28.738 -0.128 0.000 0.926 239 Q HN 0.593 nan 8.270 nan 0.000 0.415 240 S N -0.581 115.089 115.700 -0.050 0.000 2.353 240 S HA -0.223 4.247 4.470 0.000 0.000 0.222 240 S C 1.960 176.575 174.600 0.026 0.000 1.035 240 S CA 1.582 59.777 58.200 -0.008 0.000 1.025 240 S CB -0.575 62.615 63.200 -0.017 0.000 0.902 240 S HN 0.575 nan 8.310 nan 0.000 0.440 241 A N 0.387 123.224 122.820 0.028 0.000 1.883 241 A HA -0.040 4.280 4.320 0.000 0.000 0.217 241 A C 2.025 179.688 177.584 0.132 0.000 1.186 241 A CA 1.776 53.851 52.037 0.063 0.000 0.624 241 A CB -1.292 17.748 19.000 0.067 0.000 0.822 241 A HN 0.652 nan 8.150 nan 0.000 0.444 242 Y N 0.215 120.471 120.300 -0.072 0.000 2.081 242 Y HA -0.223 4.327 4.550 0.000 0.000 0.280 242 Y C 2.332 178.205 175.900 -0.045 0.000 1.163 242 Y CA 1.389 59.441 58.100 -0.079 0.000 1.135 242 Y CB -0.953 37.479 38.460 -0.046 0.000 0.970 242 Y HN 0.212 nan 8.280 nan 0.000 0.498 243 L N -0.453 120.867 121.223 0.161 0.000 2.083 243 L HA -0.217 4.123 4.340 0.000 0.000 0.209 243 L C 2.443 179.359 176.870 0.077 0.000 1.083 243 L CA 1.833 56.731 54.840 0.096 0.000 0.752 243 L CB -0.590 41.509 42.059 0.066 0.000 0.899 243 L HN 0.267 nan 8.230 nan 0.000 0.433 244 E N -0.121 120.120 120.200 0.069 0.000 2.047 244 E HA -0.214 4.136 4.350 0.000 0.000 0.191 244 E C 2.362 179.029 176.600 0.113 0.000 0.987 244 E CA 1.656 58.099 56.400 0.072 0.000 0.799 244 E CB 0.013 29.739 29.700 0.042 0.000 0.752 244 E HN 0.519 nan 8.360 nan 0.000 0.449 245 C N 0.494 119.836 119.300 0.070 0.000 2.429 245 C HA -0.063 4.397 4.460 0.000 0.000 0.277 245 C C 2.594 177.723 174.990 0.231 0.000 1.262 245 C CA 0.393 59.478 59.018 0.112 0.000 1.733 245 C CB -0.820 26.716 27.740 -0.340 0.000 2.010 245 C HN 0.499 nan 8.230 nan 0.000 0.483 246 I N 1.542 122.170 120.570 0.098 0.000 2.315 246 I HA -0.193 3.977 4.170 0.000 0.000 0.248 246 I C 2.612 178.818 176.117 0.147 0.000 1.117 246 I CA 1.408 62.788 61.300 0.132 0.000 1.404 246 I CB -0.686 37.362 38.000 0.080 0.000 1.071 246 I HN 0.521 nan 8.210 nan 0.000 0.419 247 N N 0.813 119.591 118.700 0.129 0.000 2.188 247 N HA -0.272 4.468 4.740 0.000 0.000 0.184 247 N C 2.135 177.717 175.510 0.121 0.000 1.018 247 N CA 1.497 54.602 53.050 0.092 0.000 0.858 247 N CB -0.155 38.377 38.487 0.075 0.000 0.989 247 N HN 0.317 nan 8.380 nan 0.000 0.426 248 Y N 1.495 121.842 120.300 0.078 0.000 2.145 248 Y HA -0.083 4.467 4.550 0.000 0.000 0.286 248 Y C 2.542 178.487 175.900 0.075 0.000 1.145 248 Y CA 1.898 60.044 58.100 0.077 0.000 1.148 248 Y CB -0.641 37.891 38.460 0.119 0.000 0.981 248 Y HN 0.189 nan 8.280 nan 0.000 0.507 249 A N -0.840 122.116 122.820 0.227 0.000 1.877 249 A HA -0.164 4.156 4.320 0.000 0.000 0.216 249 A C 2.311 179.898 177.584 0.006 0.000 1.186 249 A CA 2.065 54.174 52.037 0.120 0.000 0.620 249 A CB -1.321 17.846 19.000 0.279 0.000 0.822 249 A HN 0.297 nan 8.150 nan 0.000 0.443 250 V N 0.690 120.621 119.914 0.028 0.000 2.626 250 V HA -0.193 3.927 4.120 0.000 0.000 0.252 250 V C 2.820 178.868 176.094 -0.077 0.000 1.067 250 V CA 2.288 64.580 62.300 -0.013 0.000 1.081 250 V CB -1.091 30.730 31.823 -0.003 0.000 0.686 250 V HN 0.885 nan 8.190 nan 0.000 0.468 251 T N -3.632 110.852 114.554 -0.116 0.000 2.983 251 T HA -0.079 4.271 4.350 0.000 0.000 0.250 251 T C 1.782 176.361 174.700 -0.201 0.000 1.037 251 T CA 0.318 62.325 62.100 -0.155 0.000 1.142 251 T CB -0.156 68.621 68.868 -0.153 0.000 0.876 251 T HN 0.291 nan 8.240 nan 0.000 0.455 252 Q N 1.034 120.651 119.800 -0.305 0.000 2.230 252 Q HA 0.226 4.566 4.340 0.000 0.000 0.202 252 Q C 1.990 177.870 176.000 -0.199 0.000 0.963 252 Q CA 0.788 56.392 55.803 -0.332 0.000 0.866 252 Q CB -0.288 28.108 28.738 -0.569 0.000 0.931 252 Q HN 0.555 nan 8.270 nan 0.000 0.452 253 L N 0.733 121.867 121.223 -0.148 0.000 2.653 253 L HA 0.143 4.483 4.340 0.000 0.000 0.231 253 L C 0.578 177.411 176.870 -0.062 0.000 1.153 253 L CA -0.354 54.430 54.840 -0.093 0.000 0.933 253 L CB -0.080 41.941 42.059 -0.063 0.000 1.175 253 L HN -0.020 nan 8.230 nan 0.000 0.473 254 N N 1.965 120.618 118.700 -0.079 0.000 2.605 254 N HA 0.281 5.021 4.740 0.000 0.000 0.258 254 N C -0.942 174.534 175.510 -0.057 0.000 1.156 254 N CA 0.308 53.320 53.050 -0.062 0.000 1.008 254 N CB -0.045 38.390 38.487 -0.086 0.000 1.354 254 N HN 0.188 nan 8.380 nan 0.000 0.509 255 L N 3.229 124.432 121.223 -0.032 0.000 2.333 255 L HA 0.518 4.858 4.340 0.000 0.000 0.263 255 L C -1.338 175.528 176.870 -0.007 0.000 1.014 255 L CA -2.295 52.528 54.840 -0.028 0.000 0.820 255 L CB 2.077 44.120 42.059 -0.026 0.000 1.352 255 L HN 0.200 nan 8.230 nan 0.000 0.421 256 P HA -0.136 nan 4.420 nan 0.000 0.218 256 P C 0.569 177.895 177.300 0.044 0.000 1.148 256 P CA 1.144 64.228 63.100 -0.027 0.000 0.822 256 P CB 0.048 31.724 31.700 -0.039 0.000 0.784 257 N N -1.375 117.367 118.700 0.070 0.000 2.280 257 N HA 0.022 4.762 4.740 0.000 0.000 0.192 257 N C -0.148 175.440 175.510 0.130 0.000 1.109 257 N CA 0.188 53.306 53.050 0.115 0.000 0.855 257 N CB -0.150 38.373 38.487 0.060 0.000 0.974 257 N HN -0.010 nan 8.380 nan 0.000 0.482 258 V N 0.647 120.648 119.914 0.144 0.000 2.630 258 V HA 0.776 4.896 4.120 0.000 0.000 0.305 258 V C -0.149 176.037 176.094 0.153 0.000 1.046 258 V CA -1.029 61.333 62.300 0.102 0.000 0.934 258 V CB 1.461 33.317 31.823 0.055 0.000 1.003 258 V HN 0.371 nan 8.190 nan 0.000 0.451 259 A N 5.253 128.089 122.820 0.027 0.000 2.385 259 A HA 0.840 5.160 4.320 0.000 0.000 0.290 259 A C -0.788 176.795 177.584 -0.000 0.000 1.094 259 A CA -0.514 51.508 52.037 -0.025 0.000 0.729 259 A CB 1.048 19.898 19.000 -0.249 0.000 1.194 259 A HN 0.770 nan 8.150 nan 0.000 0.442 260 M N 1.774 121.337 119.600 -0.063 0.000 2.436 260 M HA 0.533 5.013 4.480 0.000 0.000 0.331 260 M C -1.621 174.571 176.300 -0.180 0.000 1.135 260 M CA -0.303 54.998 55.300 0.001 0.000 0.987 260 M CB 1.794 34.420 32.600 0.044 0.000 1.687 260 M HN 0.674 nan 8.290 nan 0.000 0.445 261 Y N 2.380 122.744 120.300 0.107 0.000 2.329 261 Y HA 0.447 4.997 4.550 0.000 0.000 0.328 261 Y C -0.557 175.362 175.900 0.031 0.000 0.992 261 Y CA -0.640 57.497 58.100 0.061 0.000 1.151 261 Y CB 1.222 39.705 38.460 0.038 0.000 1.150 261 Y HN 0.516 nan 8.280 nan 0.000 0.450 262 L N 3.396 124.701 121.223 0.137 0.000 2.410 262 L HA 0.100 4.440 4.340 0.000 0.000 0.273 262 L C 0.257 177.115 176.870 -0.020 0.000 1.152 262 L CA -0.007 54.881 54.840 0.080 0.000 0.855 262 L CB 0.515 42.642 42.059 0.112 0.000 1.129 262 L HN 0.663 nan 8.230 nan 0.000 0.463 263 D N 2.620 123.027 120.400 0.012 0.000 2.455 263 D HA 0.237 4.877 4.640 0.000 0.000 0.241 263 D C 0.142 176.400 176.300 -0.070 0.000 1.138 263 D CA 0.287 54.279 54.000 -0.013 0.000 0.877 263 D CB 1.109 41.924 40.800 0.024 0.000 1.187 263 D HN 0.571 nan 8.370 nan 0.000 0.451 264 A N 3.331 126.097 122.820 -0.089 0.000 2.610 264 A HA 0.630 4.950 4.320 0.000 0.000 0.290 264 A C 1.026 178.677 177.584 0.111 0.000 1.001 264 A CA 0.284 52.267 52.037 -0.090 0.000 1.004 264 A CB -0.346 18.391 19.000 -0.439 0.000 1.220 264 A HN 0.949 nan 8.150 nan 0.000 0.507 265 G N 0.751 109.550 108.800 -0.002 0.000 2.596 265 G HA2 -0.076 3.884 3.960 0.000 0.000 0.295 265 G HA3 -0.076 3.884 3.960 0.000 0.000 0.295 265 G C -0.025 174.979 174.900 0.174 0.000 1.240 265 G CA 1.176 46.259 45.100 -0.028 0.000 0.985 265 G HN 2.292 nan 8.290 nan 0.000 0.555 266 H N -3.984 115.097 119.070 0.019 0.000 2.918 266 H HA 0.795 5.351 4.556 0.000 0.000 0.303 266 H C 1.208 176.156 175.328 -0.633 0.000 1.380 266 H CA 0.444 56.409 56.048 -0.139 0.000 1.134 266 H CB 0.782 30.590 29.762 0.076 0.000 1.842 266 H HN 1.347 nan 8.280 nan 0.000 0.533 267 A N 0.201 122.811 122.820 -0.350 0.000 1.948 267 A HA -0.068 4.252 4.320 0.000 0.000 0.220 267 A C 2.198 179.493 177.584 -0.481 0.000 1.177 267 A CA 2.092 53.888 52.037 -0.400 0.000 0.636 267 A CB -1.621 17.457 19.000 0.130 0.000 0.815 267 A HN 0.936 nan 8.150 nan 0.000 0.449 268 G N -3.124 105.324 108.800 -0.586 0.000 2.744 268 G HA2 -0.023 3.937 3.960 0.000 0.000 0.211 268 G HA3 -0.023 3.937 3.960 0.000 0.000 0.211 268 G C 1.136 175.701 174.900 -0.558 0.000 1.143 268 G CA 0.772 44.862 45.100 -1.683 0.000 0.788 268 G HN 0.576 nan 8.290 nan 0.000 0.534 269 W N 0.245 121.067 121.300 -0.797 0.000 3.008 269 W HA 0.344 5.004 4.660 -0.000 0.000 0.273 269 W C 1.551 177.972 176.519 -0.164 0.000 1.012 269 W CA 0.475 57.533 57.345 -0.479 0.000 1.885 269 W CB -0.359 28.665 29.460 -0.727 0.000 1.150 269 W HN 0.033 nan 8.180 nan 0.000 0.564 270 L N 0.751 121.945 121.223 -0.048 0.000 2.667 270 L HA 0.298 4.638 4.340 0.000 0.000 0.232 270 L C 2.134 179.049 176.870 0.075 0.000 1.138 270 L CA 0.552 55.410 54.840 0.030 0.000 0.921 270 L CB -0.676 41.411 42.059 0.045 0.000 1.180 270 L HN 0.064 nan 8.230 nan 0.000 0.487 271 G N -0.382 108.319 108.800 -0.166 0.000 2.464 271 G HA2 -0.149 3.811 3.960 0.000 0.000 0.217 271 G HA3 -0.149 3.811 3.960 0.000 0.000 0.217 271 G C 0.155 175.068 174.900 0.021 0.000 1.138 271 G CA -0.398 44.656 45.100 -0.078 0.000 0.793 271 G HN 0.176 nan 8.290 nan 0.000 0.539 272 W N 0.969 122.291 121.300 0.037 0.000 2.314 272 W HA 0.297 4.957 4.660 0.000 0.000 0.339 272 W C -1.181 175.391 176.519 0.088 0.000 1.293 272 W CA -1.674 55.718 57.345 0.078 0.000 1.288 272 W CB 0.104 29.602 29.460 0.062 0.000 1.186 272 W HN 0.027 nan 8.180 nan 0.000 0.566 273 P HA -0.352 nan 4.420 nan 0.000 0.217 273 P C 1.484 178.893 177.300 0.182 0.000 1.162 273 P CA 3.293 66.512 63.100 0.198 0.000 0.901 273 P CB -0.079 31.727 31.700 0.176 0.000 0.793 274 A N -1.248 121.687 122.820 0.193 0.000 2.070 274 A HA -0.183 4.137 4.320 0.000 0.000 0.220 274 A C 1.889 179.547 177.584 0.123 0.000 1.159 274 A CA 1.707 53.825 52.037 0.135 0.000 0.656 274 A CB -1.037 18.028 19.000 0.108 0.000 0.800 274 A HN 0.176 nan 8.150 nan 0.000 0.453 275 N N -0.744 118.057 118.700 0.167 0.000 2.356 275 N HA 0.004 4.744 4.740 0.000 0.000 0.178 275 N C 1.653 177.239 175.510 0.127 0.000 1.075 275 N CA 0.557 53.688 53.050 0.135 0.000 0.889 275 N CB -0.237 38.358 38.487 0.179 0.000 0.999 275 N HN 0.625 nan 8.380 nan 0.000 0.464 276 Q N 0.763 120.661 119.800 0.162 0.000 2.002 276 Q HA -0.194 4.146 4.340 0.000 0.000 0.204 276 Q C 1.230 177.307 176.000 0.127 0.000 0.988 276 Q CA 1.881 57.786 55.803 0.170 0.000 0.843 276 Q CB -0.162 28.674 28.738 0.163 0.000 0.908 276 Q HN 0.306 nan 8.270 nan 0.000 0.420 277 D N -0.430 120.037 120.400 0.111 0.000 2.097 277 D HA -0.100 4.540 4.640 0.000 0.000 0.195 277 D C -0.956 175.351 176.300 0.012 0.000 0.989 277 D CA 1.015 55.084 54.000 0.115 0.000 0.827 277 D CB -0.585 40.295 40.800 0.134 0.000 0.966 277 D HN 0.078 nan 8.370 nan 0.000 0.456 278 P HA -0.131 nan 4.420 nan 0.000 0.215 278 P C 1.093 178.277 177.300 -0.194 0.000 1.157 278 P CA 2.151 65.195 63.100 -0.094 0.000 0.874 278 P CB -0.167 31.500 31.700 -0.055 0.000 0.790 279 A N 0.039 122.751 122.820 -0.181 0.000 1.865 279 A HA -0.168 4.152 4.320 0.000 0.000 0.217 279 A C 2.364 179.656 177.584 -0.487 0.000 1.191 279 A CA 2.422 54.214 52.037 -0.410 0.000 0.623 279 A CB -1.719 17.213 19.000 -0.113 0.000 0.826 279 A HN 0.188 nan 8.150 nan 0.000 0.444 280 A N -1.112 121.674 122.820 -0.056 0.000 1.940 280 A HA -0.253 4.067 4.320 0.000 0.000 0.219 280 A C 2.202 179.772 177.584 -0.023 0.000 1.176 280 A CA 1.924 54.043 52.037 0.136 0.000 0.631 280 A CB -0.614 18.525 19.000 0.232 0.000 0.814 280 A HN 0.682 nan 8.150 nan 0.000 0.446 281 Q N -1.133 118.481 119.800 -0.310 0.000 2.050 281 Q HA -0.178 4.162 4.340 0.000 0.000 0.202 281 Q C 2.038 177.895 176.000 -0.239 0.000 0.980 281 Q CA 1.657 57.139 55.803 -0.535 0.000 0.840 281 Q CB -0.217 28.188 28.738 -0.556 0.000 0.898 281 Q HN 0.575 nan 8.270 nan 0.000 0.424 282 L N 0.023 121.078 121.223 -0.280 0.000 2.017 282 L HA -0.140 4.200 4.340 0.000 0.000 0.208 282 L C 1.855 178.676 176.870 -0.081 0.000 1.073 282 L CA 1.726 56.422 54.840 -0.239 0.000 0.745 282 L CB -0.704 41.123 42.059 -0.387 0.000 0.894 282 L HN 0.185 nan 8.230 nan 0.000 0.432 283 F N 0.244 120.260 119.950 0.111 0.000 2.102 283 F HA -0.126 4.401 4.527 0.000 0.000 0.298 283 F C 2.617 178.622 175.800 0.342 0.000 1.105 283 F CA 1.093 59.241 58.000 0.247 0.000 1.239 283 F CB -1.735 37.432 39.000 0.278 0.000 0.991 283 F HN 0.198 nan 8.300 nan 0.000 0.474 284 A N 0.238 123.358 122.820 0.500 0.000 1.933 284 A HA -0.196 4.124 4.320 0.000 0.000 0.218 284 A C 2.192 179.910 177.584 0.222 0.000 1.175 284 A CA 1.848 54.146 52.037 0.435 0.000 0.628 284 A CB -0.818 18.413 19.000 0.384 0.000 0.814 284 A HN 0.350 nan 8.150 nan 0.000 0.444 285 N N 0.151 118.928 118.700 0.129 0.000 2.166 285 N HA -0.117 4.623 4.740 0.000 0.000 0.186 285 N C 1.741 177.277 175.510 0.043 0.000 1.019 285 N CA 1.556 54.643 53.050 0.060 0.000 0.856 285 N CB -0.482 38.013 38.487 0.014 0.000 0.993 285 N HN 0.269 nan 8.380 nan 0.000 0.426 286 V N 0.849 120.809 119.914 0.077 0.000 2.295 286 V HA -0.251 3.869 4.120 0.000 0.000 0.246 286 V C 2.057 178.123 176.094 -0.047 0.000 1.049 286 V CA 1.477 63.806 62.300 0.048 0.000 1.024 286 V CB -0.727 31.173 31.823 0.129 0.000 0.648 286 V HN 0.259 nan 8.190 nan 0.000 0.447 287 Y N 1.346 121.473 120.300 -0.289 0.000 2.049 287 Y HA -0.284 4.266 4.550 0.000 0.000 0.277 287 Y C 2.581 178.274 175.900 -0.346 0.000 1.143 287 Y CA 2.106 59.862 58.100 -0.574 0.000 1.115 287 Y CB -0.352 37.380 38.460 -1.215 0.000 0.975 287 Y HN 0.134 nan 8.280 nan 0.000 0.487 288 K N -0.234 120.064 120.400 -0.171 0.000 2.063 288 K HA -0.243 4.077 4.320 0.000 0.000 0.208 288 K C 1.949 178.445 176.600 -0.173 0.000 1.048 288 K CA 1.614 57.796 56.287 -0.176 0.000 0.928 288 K CB -0.433 32.067 32.500 -0.001 0.000 0.713 288 K HN 0.285 nan 8.250 nan 0.000 0.442 289 N N 0.619 119.253 118.700 -0.109 0.000 2.443 289 N HA -0.123 4.617 4.740 0.000 0.000 0.184 289 N C 0.822 176.266 175.510 -0.111 0.000 1.037 289 N CA 0.990 53.991 53.050 -0.081 0.000 0.896 289 N CB 0.095 38.559 38.487 -0.038 0.000 0.959 289 N HN 0.188 nan 8.380 nan 0.000 0.442 290 A N -1.202 121.509 122.820 -0.181 0.000 2.460 290 A HA 0.399 4.719 4.320 0.000 0.000 0.258 290 A C 0.601 178.035 177.584 -0.251 0.000 1.300 290 A CA 0.077 52.001 52.037 -0.188 0.000 0.913 290 A CB -0.123 18.764 19.000 -0.187 0.000 1.031 290 A HN 0.086 nan 8.150 nan 0.000 0.512 291 S N -0.417 115.125 115.700 -0.263 0.000 3.672 291 S HA -0.168 4.302 4.470 0.000 0.000 0.319 291 S C 0.463 174.822 174.600 -0.403 0.000 1.151 291 S CA 0.698 58.740 58.200 -0.263 0.000 0.911 291 S CB -2.362 60.731 63.200 -0.179 0.000 0.939 291 S HN 1.565 nan 8.310 nan 0.000 0.524 292 S N -0.788 114.470 115.700 -0.737 0.000 3.572 292 S HA -0.134 4.336 4.470 0.000 0.000 0.394 292 S C -1.954 172.212 174.600 -0.723 0.000 0.923 292 S CA 0.499 57.921 58.200 -1.296 0.000 1.291 292 S CB -1.114 61.654 63.200 -0.720 0.000 0.914 292 S HN 0.559 nan 8.310 nan 0.000 0.545 293 P HA 0.023 nan 4.420 nan 0.000 0.260 293 P C 1.055 178.300 177.300 -0.090 0.000 1.185 293 P CA -0.144 62.809 63.100 -0.244 0.000 0.763 293 P CB 0.487 32.073 31.700 -0.190 0.000 0.776 294 R N 4.463 124.926 120.500 -0.062 0.000 2.152 294 R HA -0.159 4.181 4.340 0.000 0.000 0.232 294 R C 1.390 177.703 176.300 0.022 0.000 1.117 294 R CA 1.896 57.992 56.100 -0.007 0.000 0.981 294 R CB -0.554 29.714 30.300 -0.052 0.000 0.870 294 R HN 0.479 nan 8.270 nan 0.000 0.451 295 A N 0.936 123.763 122.820 0.012 0.000 2.169 295 A HA 0.026 4.346 4.320 0.000 0.000 0.212 295 A C 0.997 178.618 177.584 0.061 0.000 1.153 295 A CA -0.092 51.979 52.037 0.057 0.000 0.756 295 A CB -0.052 18.968 19.000 0.033 0.000 0.813 295 A HN 0.269 nan 8.150 nan 0.000 0.471 296 L N 0.804 122.069 121.223 0.069 0.000 2.404 296 L HA 0.343 4.683 4.340 0.000 0.000 0.277 296 L C 1.319 178.298 176.870 0.183 0.000 1.184 296 L CA -0.061 54.841 54.840 0.103 0.000 1.013 296 L CB -0.146 41.981 42.059 0.115 0.000 1.318 296 L HN 0.391 nan 8.230 nan 0.000 0.435 297 R N 3.022 123.501 120.500 -0.037 0.000 2.092 297 R HA 0.241 4.581 4.340 0.000 0.000 0.231 297 R C 0.847 177.114 176.300 -0.055 0.000 1.119 297 R CA 1.299 57.345 56.100 -0.090 0.000 0.970 297 R CB 0.080 30.131 30.300 -0.415 0.000 0.864 297 R HN 0.772 nan 8.270 nan 0.000 0.440 298 G N -1.372 107.326 108.800 -0.170 0.000 2.600 298 G HA2 0.193 4.153 3.960 0.000 0.000 0.103 298 G HA3 0.193 4.153 3.960 0.000 0.000 0.103 298 G C -1.654 173.080 174.900 -0.278 0.000 1.090 298 G CA -0.507 44.383 45.100 -0.350 0.000 1.090 298 G HN 0.053 nan 8.290 nan 0.000 0.500 299 L N 0.475 121.422 121.223 -0.460 0.000 2.341 299 L HA 0.837 5.177 4.340 0.000 0.000 0.267 299 L C 0.159 177.042 176.870 0.022 0.000 1.009 299 L CA -1.072 53.602 54.840 -0.277 0.000 0.819 299 L CB 2.200 43.909 42.059 -0.584 0.000 1.323 299 L HN 0.865 nan 8.230 nan 0.000 0.425 300 A N 0.699 123.537 122.820 0.029 0.000 2.337 300 A HA 0.842 5.162 4.320 0.000 0.000 0.329 300 A C -0.297 177.326 177.584 0.065 0.000 1.146 300 A CA -0.388 51.655 52.037 0.010 0.000 0.800 300 A CB 1.485 20.452 19.000 -0.056 0.000 1.220 300 A HN 0.727 nan 8.150 nan 0.000 0.472 301 T N -1.078 113.548 114.554 0.120 0.000 2.906 301 T HA 0.531 4.881 4.350 0.000 0.000 0.295 301 T C 0.186 175.006 174.700 0.201 0.000 1.075 301 T CA -0.151 62.087 62.100 0.231 0.000 1.005 301 T CB 1.335 70.434 68.868 0.384 0.000 1.136 301 T HN 1.280 nan 8.240 nan 0.000 0.498 302 N N -0.309 118.549 118.700 0.262 0.000 2.753 302 N HA -0.157 4.583 4.740 0.000 0.000 0.251 302 N C -0.259 175.310 175.510 0.098 0.000 1.097 302 N CA 0.894 54.064 53.050 0.200 0.000 0.786 302 N CB -1.656 36.949 38.487 0.196 0.000 1.137 302 N HN 0.719 nan 8.380 nan 0.000 0.566 303 V N 0.606 120.579 119.914 0.099 0.000 2.509 303 V HA 0.279 4.399 4.120 0.000 0.000 0.297 303 V C 1.726 177.867 176.094 0.077 0.000 1.014 303 V CA 0.954 63.294 62.300 0.066 0.000 1.127 303 V CB 0.126 31.975 31.823 0.043 0.000 0.925 303 V HN 0.662 nan 8.190 nan 0.000 0.480 304 A N 3.610 126.445 122.820 0.024 0.000 2.979 304 A HA -0.211 4.109 4.320 0.000 0.000 0.260 304 A C 0.736 178.154 177.584 -0.276 0.000 1.282 304 A CA 1.471 53.454 52.037 -0.089 0.000 0.971 304 A CB -1.987 17.002 19.000 -0.018 0.000 1.124 304 A HN 0.771 nan 8.150 nan 0.000 0.826 305 N N -2.564 115.965 118.700 -0.286 0.000 2.813 305 N HA 0.715 5.455 4.740 0.000 0.000 0.320 305 N C 0.034 175.202 175.510 -0.569 0.000 1.315 305 N CA 0.102 52.913 53.050 -0.399 0.000 0.871 305 N CB 0.643 39.017 38.487 -0.188 0.000 1.241 305 N HN 0.221 nan 8.380 nan 0.000 0.602 306 Y N -0.974 119.342 120.300 0.025 0.000 2.626 306 Y HA 0.337 4.887 4.550 0.000 0.000 0.248 306 Y C -0.107 175.863 175.900 0.115 0.000 1.147 306 Y CA -0.787 57.347 58.100 0.057 0.000 1.219 306 Y CB -0.291 38.191 38.460 0.036 0.000 1.279 306 Y HN 0.185 nan 8.280 nan 0.000 0.541 307 N N 1.574 120.442 118.700 0.280 0.000 2.374 307 N HA 0.113 4.853 4.740 0.000 0.000 0.241 307 N C 0.669 176.349 175.510 0.283 0.000 1.262 307 N CA 0.766 54.017 53.050 0.334 0.000 0.880 307 N CB 0.723 39.441 38.487 0.384 0.000 1.105 307 N HN 0.434 nan 8.380 nan 0.000 0.438 308 G N -0.140 108.818 108.800 0.264 0.000 2.476 308 G HA2 0.074 4.034 3.960 0.000 0.000 0.269 308 G HA3 0.074 4.034 3.960 0.000 0.000 0.269 308 G C 0.698 175.768 174.900 0.283 0.000 1.195 308 G CA -0.743 44.498 45.100 0.236 0.000 0.843 308 G HN 0.762 nan 8.290 nan 0.000 0.545 309 W N 2.123 123.504 121.300 0.135 0.000 2.452 309 W HA -0.057 4.603 4.660 -0.000 0.000 0.313 309 W C 0.617 177.210 176.519 0.123 0.000 1.176 309 W CA 1.275 58.717 57.345 0.163 0.000 1.350 309 W CB 0.260 29.855 29.460 0.226 0.000 1.148 309 W HN 0.612 nan 8.180 nan 0.000 0.498 310 N N 0.873 119.397 118.700 -0.293 0.000 2.377 310 N HA 0.079 4.819 4.740 0.000 0.000 0.259 310 N C 0.077 175.512 175.510 -0.125 0.000 1.332 310 N CA -0.117 52.666 53.050 -0.444 0.000 0.877 310 N CB -1.431 36.746 38.487 -0.517 0.000 1.299 310 N HN 0.297 nan 8.380 nan 0.000 0.501 311 I N -1.272 119.294 120.570 -0.006 0.000 2.880 311 I HA 0.020 4.190 4.170 0.000 0.000 0.296 311 I C 1.023 177.200 176.117 0.099 0.000 1.220 311 I CA 0.164 61.500 61.300 0.061 0.000 1.435 311 I CB 0.440 38.497 38.000 0.096 0.000 1.339 311 I HN 0.100 nan 8.210 nan 0.000 0.583 312 T N 0.600 115.195 114.554 0.069 0.000 3.100 312 T HA 0.137 4.487 4.350 0.000 0.000 0.253 312 T C 0.598 175.343 174.700 0.075 0.000 1.118 312 T CA 0.238 62.383 62.100 0.075 0.000 1.058 312 T CB -0.448 68.431 68.868 0.018 0.000 0.953 312 T HN 0.839 nan 8.240 nan 0.000 0.515 313 S N 1.400 117.092 115.700 -0.014 0.000 2.541 313 S HA 0.623 5.093 4.470 0.000 0.000 0.280 313 S C -3.368 170.881 174.600 -0.584 0.000 1.112 313 S CA -1.730 56.324 58.200 -0.243 0.000 0.925 313 S CB 2.227 65.314 63.200 -0.188 0.000 1.067 313 S HN 0.059 nan 8.310 nan 0.000 0.479 314 P HA 0.361 nan 4.420 nan 0.000 0.276 314 P C -2.665 174.195 177.300 -0.734 0.000 1.253 314 P CA -1.049 61.258 63.100 -1.322 0.000 0.766 314 P CB -0.408 30.514 31.700 -1.296 0.000 0.845 315 P HA -0.024 nan 4.420 nan 0.000 0.269 315 P C 1.479 178.271 177.300 -0.847 0.000 1.215 315 P CA 0.061 62.663 63.100 -0.831 0.000 0.780 315 P CB 0.310 31.252 31.700 -1.263 0.000 0.898 316 S N 1.675 116.991 115.700 -0.639 0.000 2.374 316 S HA -0.280 4.190 4.470 0.000 0.000 0.227 316 S C 1.720 176.118 174.600 -0.337 0.000 1.037 316 S CA 1.766 59.737 58.200 -0.382 0.000 1.024 316 S CB -1.744 61.338 63.200 -0.196 0.000 0.861 316 S HN 0.587 nan 8.310 nan 0.000 0.456 317 Y N 2.610 122.794 120.300 -0.194 0.000 2.632 317 Y HA 0.238 4.788 4.550 0.000 0.000 0.301 317 Y C 2.087 177.852 175.900 -0.224 0.000 1.172 317 Y CA 0.530 58.543 58.100 -0.145 0.000 1.328 317 Y CB -1.691 36.697 38.460 -0.119 0.000 1.016 317 Y HN 0.435 nan 8.280 nan 0.000 0.529 318 T N -3.540 110.684 114.554 -0.549 0.000 3.122 318 T HA 0.079 4.429 4.350 0.000 0.000 0.250 318 T C 0.536 175.161 174.700 -0.124 0.000 1.067 318 T CA -0.363 61.358 62.100 -0.632 0.000 0.966 318 T CB -0.249 67.980 68.868 -1.065 0.000 1.002 318 T HN 0.234 nan 8.240 nan 0.000 0.542 319 Q N 1.618 121.393 119.800 -0.043 0.000 2.398 319 Q HA 0.323 4.663 4.340 0.000 0.000 0.329 319 Q C 1.456 177.590 176.000 0.224 0.000 1.079 319 Q CA 1.666 57.498 55.803 0.048 0.000 1.041 319 Q CB -0.610 28.165 28.738 0.062 0.000 1.084 319 Q HN 0.662 nan 8.270 nan 0.000 0.386 320 G N 3.235 112.134 108.800 0.165 0.000 2.213 320 G HA2 -0.277 3.683 3.960 0.000 0.000 0.236 320 G HA3 -0.277 3.683 3.960 0.000 0.000 0.236 320 G C -0.006 175.006 174.900 0.186 0.000 0.991 320 G CA 0.064 45.338 45.100 0.291 0.000 0.629 320 G HN 0.747 nan 8.290 nan 0.000 0.517 321 N N 0.713 119.328 118.700 -0.142 0.000 2.446 321 N HA 0.694 5.434 4.740 0.000 0.000 0.265 321 N C 1.163 176.620 175.510 -0.090 0.000 0.975 321 N CA 0.509 53.302 53.050 -0.428 0.000 0.928 321 N CB 1.318 39.193 38.487 -1.021 0.000 1.160 321 N HN 0.457 nan 8.380 nan 0.000 0.495 322 A N 3.048 125.854 122.820 -0.024 0.000 1.969 322 A HA 0.005 4.325 4.320 0.000 0.000 0.218 322 A C 0.653 178.261 177.584 0.040 0.000 1.169 322 A CA 0.818 52.891 52.037 0.059 0.000 0.635 322 A CB -0.035 18.988 19.000 0.038 0.000 0.810 322 A HN 0.433 nan 8.150 nan 0.000 0.445 323 V N 1.770 121.666 119.914 -0.031 0.000 2.276 323 V HA 0.099 4.219 4.120 0.000 0.000 0.249 323 V C 0.391 176.512 176.094 0.046 0.000 1.160 323 V CA -0.018 62.244 62.300 -0.064 0.000 1.042 323 V CB -0.968 30.849 31.823 -0.010 0.000 1.224 323 V HN 0.664 nan 8.190 nan 0.000 0.496 324 Y N 2.652 122.972 120.300 0.035 0.000 2.507 324 Y HA 0.471 5.021 4.550 0.000 0.000 0.254 324 Y C 0.403 176.356 175.900 0.088 0.000 1.171 324 Y CA -1.264 56.863 58.100 0.045 0.000 1.238 324 Y CB -0.244 38.109 38.460 -0.178 0.000 1.148 324 Y HN 0.653 nan 8.280 nan 0.000 0.525 325 N N -1.653 116.992 118.700 -0.091 0.000 2.774 325 N HA 0.185 4.925 4.740 0.000 0.000 0.264 325 N C 0.185 175.721 175.510 0.043 0.000 1.415 325 N CA -0.712 52.342 53.050 0.007 0.000 0.815 325 N CB 0.726 39.119 38.487 -0.156 0.000 1.514 325 N HN -0.108 nan 8.380 nan 0.000 0.523 326 E N 0.180 120.457 120.200 0.128 0.000 2.152 326 E HA -0.133 4.217 4.350 0.000 0.000 0.192 326 E C 1.112 177.731 176.600 0.032 0.000 0.983 326 E CA 0.908 57.456 56.400 0.246 0.000 0.818 326 E CB -0.103 29.880 29.700 0.471 0.000 0.758 326 E HN 0.752 nan 8.360 nan 0.000 0.467 327 K N 1.010 121.120 120.400 -0.483 0.000 2.057 327 K HA -0.099 4.221 4.320 0.000 0.000 0.207 327 K C 2.234 178.678 176.600 -0.259 0.000 1.049 327 K CA 0.877 56.692 56.287 -0.786 0.000 0.931 327 K CB -0.111 31.587 32.500 -1.336 0.000 0.714 327 K HN 0.044 nan 8.250 nan 0.000 0.440 328 L N 0.137 121.201 121.223 -0.265 0.000 2.141 328 L HA -0.178 4.162 4.340 0.000 0.000 0.209 328 L C 2.493 179.340 176.870 -0.039 0.000 1.094 328 L CA 0.956 55.693 54.840 -0.172 0.000 0.763 328 L CB -0.515 41.382 42.059 -0.271 0.000 0.908 328 L HN 0.288 nan 8.230 nan 0.000 0.437 329 Y N 1.452 121.671 120.300 -0.135 0.000 2.163 329 Y HA -0.219 4.331 4.550 -0.000 0.000 0.288 329 Y C 2.396 178.190 175.900 -0.177 0.000 1.136 329 Y CA 1.671 59.716 58.100 -0.092 0.000 1.147 329 Y CB -0.318 38.134 38.460 -0.014 0.000 0.987 329 Y HN 0.201 nan 8.280 nan 0.000 0.509 330 I N -2.501 117.743 120.570 -0.544 0.000 2.439 330 I HA -0.217 3.953 4.170 0.000 0.000 0.251 330 I C 1.848 177.436 176.117 -0.882 0.000 1.139 330 I CA 1.675 62.299 61.300 -1.126 0.000 1.438 330 I CB -0.780 36.283 38.000 -1.562 0.000 1.085 330 I HN 0.144 nan 8.210 nan 0.000 0.427 331 H N 1.276 120.086 119.070 -0.433 0.000 2.547 331 H HA 0.213 4.769 4.556 0.000 0.000 0.272 331 H C 2.250 177.458 175.328 -0.200 0.000 0.989 331 H CA 1.121 57.000 56.048 -0.281 0.000 1.214 331 H CB 0.475 30.109 29.762 -0.213 0.000 1.389 331 H HN 0.563 nan 8.280 nan 0.000 0.577 332 A N 0.584 123.333 122.820 -0.119 0.000 1.901 332 A HA 0.032 4.352 4.320 0.000 0.000 0.210 332 A C 2.328 179.872 177.584 -0.066 0.000 1.208 332 A CA 0.209 52.215 52.037 -0.051 0.000 0.644 332 A CB -0.269 18.739 19.000 0.013 0.000 0.863 332 A HN 0.306 nan 8.150 nan 0.000 0.454 333 I N -0.404 120.072 120.570 -0.158 0.000 2.500 333 I HA -0.009 4.161 4.170 0.000 0.000 0.252 333 I C 2.259 178.359 176.117 -0.028 0.000 1.142 333 I CA 1.067 62.322 61.300 -0.074 0.000 1.451 333 I CB -0.250 37.670 38.000 -0.134 0.000 1.093 333 I HN 0.321 nan 8.210 nan 0.000 0.430 334 G N 1.834 110.587 108.800 -0.078 0.000 2.529 334 G HA2 -0.241 3.719 3.960 0.000 0.000 0.219 334 G HA3 -0.241 3.719 3.960 0.000 0.000 0.219 334 G C -0.649 174.206 174.900 -0.075 0.000 1.177 334 G CA 1.088 46.173 45.100 -0.026 0.000 0.773 334 G HN 0.342 nan 8.290 nan 0.000 0.573 335 P HA 0.003 nan 4.420 nan 0.000 0.217 335 P C 2.051 179.335 177.300 -0.026 0.000 1.150 335 P CA 0.603 63.675 63.100 -0.048 0.000 0.832 335 P CB -0.110 31.570 31.700 -0.034 0.000 0.787 336 L N -1.592 119.637 121.223 0.009 0.000 2.083 336 L HA -0.163 4.177 4.340 0.000 0.000 0.209 336 L C 2.376 179.325 176.870 0.132 0.000 1.083 336 L CA 1.229 56.107 54.840 0.064 0.000 0.752 336 L CB -0.956 41.182 42.059 0.133 0.000 0.899 336 L HN -0.004 nan 8.230 nan 0.000 0.433 337 L N -0.231 121.047 121.223 0.092 0.000 2.017 337 L HA -0.189 4.151 4.340 0.000 0.000 0.208 337 L C 2.932 179.863 176.870 0.103 0.000 1.073 337 L CA 1.238 56.145 54.840 0.112 0.000 0.745 337 L CB -0.790 41.188 42.059 -0.135 0.000 0.894 337 L HN 0.237 nan 8.230 nan 0.000 0.432 338 A N 0.262 123.082 122.820 0.000 0.000 1.940 338 A HA -0.211 4.109 4.320 0.000 0.000 0.219 338 A C 2.007 179.594 177.584 0.006 0.000 1.176 338 A CA 1.871 53.911 52.037 0.005 0.000 0.631 338 A CB -0.568 18.410 19.000 -0.037 0.000 0.814 338 A HN 0.462 nan 8.150 nan 0.000 0.446 339 N N -0.254 118.412 118.700 -0.056 0.000 2.244 339 N HA -0.098 4.642 4.740 0.000 0.000 0.183 339 N C 0.815 176.196 175.510 -0.215 0.000 1.016 339 N CA 1.077 54.026 53.050 -0.168 0.000 0.866 339 N CB -0.407 37.900 38.487 -0.299 0.000 0.980 339 N HN 0.609 nan 8.380 nan 0.000 0.430 340 H N -0.909 118.210 119.070 0.082 0.000 2.519 340 H HA 0.292 4.848 4.556 0.000 0.000 0.289 340 H C 1.125 176.532 175.328 0.131 0.000 1.040 340 H CA 0.578 56.685 56.048 0.100 0.000 1.165 340 H CB 0.241 30.069 29.762 0.110 0.000 1.462 340 H HN 0.313 nan 8.280 nan 0.000 0.555 341 G N 0.506 109.428 108.800 0.204 0.000 2.195 341 G HA2 -0.232 3.728 3.960 0.000 0.000 0.224 341 G HA3 -0.232 3.728 3.960 0.000 0.000 0.224 341 G C -0.184 174.881 174.900 0.274 0.000 0.990 341 G CA -0.120 45.105 45.100 0.208 0.000 0.639 341 G HN 0.356 nan 8.290 nan 0.000 0.514 342 W N 3.441 124.749 121.300 0.013 0.000 2.309 342 W HA 0.795 5.455 4.660 0.000 0.000 0.332 342 W C -0.033 176.366 176.519 -0.200 0.000 0.962 342 W CA -1.225 55.994 57.345 -0.210 0.000 1.497 342 W CB 0.401 29.666 29.460 -0.325 0.000 1.308 342 W HN 0.053 nan 8.180 nan 0.000 0.384 343 S N 4.169 119.988 115.700 0.199 0.000 2.646 343 S HA 0.218 4.688 4.470 0.000 0.000 0.276 343 S C 0.443 175.068 174.600 0.042 0.000 1.222 343 S CA -0.330 57.907 58.200 0.061 0.000 1.014 343 S CB 0.900 64.146 63.200 0.077 0.000 0.991 343 S HN 0.478 nan 8.310 nan 0.000 0.533 344 N N -0.090 118.571 118.700 -0.066 0.000 2.735 344 N HA -0.170 4.570 4.740 0.000 0.000 0.248 344 N C -0.413 175.037 175.510 -0.100 0.000 1.083 344 N CA 0.829 53.862 53.050 -0.027 0.000 0.703 344 N CB -1.410 37.197 38.487 0.200 0.000 1.005 344 N HN 0.682 nan 8.380 nan 0.000 0.550 345 A N -0.104 122.409 122.820 -0.512 0.000 2.331 345 A HA 0.711 5.031 4.320 0.000 0.000 0.283 345 A C 0.067 177.178 177.584 -0.788 0.000 1.142 345 A CA -0.104 51.456 52.037 -0.795 0.000 0.812 345 A CB 0.455 18.425 19.000 -1.716 0.000 1.074 345 A HN 0.169 nan 8.150 nan 0.000 0.497 346 F N 0.177 119.836 119.950 -0.486 0.000 2.631 346 F HA 0.833 5.360 4.527 -0.000 0.000 0.350 346 F C -0.360 175.190 175.800 -0.416 0.000 1.080 346 F CA -0.615 57.247 58.000 -0.230 0.000 1.026 346 F CB 1.554 40.572 39.000 0.031 0.000 1.347 346 F HN 0.478 nan 8.300 nan 0.000 0.501 347 F N 0.705 120.766 119.950 0.185 0.000 2.613 347 F HA 0.697 5.224 4.527 0.000 0.000 0.314 347 F C -0.498 175.229 175.800 -0.122 0.000 1.075 347 F CA -1.391 56.636 58.000 0.046 0.000 0.945 347 F CB 1.793 40.734 39.000 -0.099 0.000 1.310 347 F HN 0.251 nan 8.300 nan 0.000 0.467 348 I N -1.169 119.342 120.570 -0.099 0.000 2.647 348 I HA 0.854 5.024 4.170 0.000 0.000 0.295 348 I C -1.189 174.823 176.117 -0.174 0.000 1.078 348 I CA -0.545 60.536 61.300 -0.365 0.000 1.048 348 I CB 2.451 40.029 38.000 -0.705 0.000 1.239 348 I HN 0.443 nan 8.210 nan 0.000 0.421 349 T N 2.743 117.197 114.554 -0.167 0.000 2.881 349 T HA 0.250 4.600 4.350 0.000 0.000 0.290 349 T C -0.940 173.787 174.700 0.045 0.000 1.000 349 T CA -0.274 61.828 62.100 0.003 0.000 0.978 349 T CB 1.536 70.474 68.868 0.117 0.000 0.997 349 T HN 0.655 nan 8.240 nan 0.000 0.443 350 D N 2.142 122.577 120.400 0.059 0.000 2.383 350 D HA 0.146 4.786 4.640 0.000 0.000 0.252 350 D C 0.270 176.643 176.300 0.122 0.000 1.166 350 D CA 0.108 54.152 54.000 0.074 0.000 0.879 350 D CB 0.872 41.682 40.800 0.017 0.000 1.164 350 D HN 0.311 nan 8.370 nan 0.000 0.462 351 Q N 2.254 122.144 119.800 0.151 0.000 2.057 351 Q HA 0.178 4.518 4.340 0.000 0.000 0.216 351 Q C 1.463 177.385 176.000 -0.129 0.000 0.788 351 Q CA -0.131 55.739 55.803 0.111 0.000 1.053 351 Q CB 1.215 30.074 28.738 0.201 0.000 1.210 351 Q HN 0.656 nan 8.270 nan 0.000 0.455 352 G N 1.074 109.606 108.800 -0.447 0.000 2.479 352 G HA2 -0.215 3.745 3.960 0.000 0.000 0.220 352 G HA3 -0.215 3.745 3.960 0.000 0.000 0.220 352 G C 1.190 175.754 174.900 -0.561 0.000 1.115 352 G CA 0.391 44.813 45.100 -1.130 0.000 0.757 352 G HN 0.137 nan 8.290 nan 0.000 0.560 353 R N -0.367 119.975 120.500 -0.264 0.000 2.637 353 R HA 0.229 4.569 4.340 0.000 0.000 0.446 353 R C 0.460 176.785 176.300 0.043 0.000 1.024 353 R CA -0.039 55.993 56.100 -0.113 0.000 1.080 353 R CB 0.832 31.107 30.300 -0.041 0.000 1.421 353 R HN 0.153 nan 8.270 nan 0.000 0.593 354 S N -0.388 115.326 115.700 0.023 0.000 2.554 354 S HA 0.069 4.539 4.470 0.000 0.000 0.226 354 S C 1.642 176.293 174.600 0.085 0.000 0.980 354 S CA 0.084 58.346 58.200 0.103 0.000 0.939 354 S CB 1.166 64.446 63.200 0.135 0.000 0.832 354 S HN 0.554 nan 8.310 nan 0.000 0.486 355 G N 2.141 110.972 108.800 0.051 0.000 2.442 355 G HA2 -0.183 3.777 3.960 0.000 0.000 0.219 355 G HA3 -0.183 3.777 3.960 0.000 0.000 0.219 355 G C 0.581 175.501 174.900 0.032 0.000 1.141 355 G CA 0.625 45.756 45.100 0.052 0.000 0.763 355 G HN 0.429 nan 8.290 nan 0.000 0.554 356 K N 0.774 121.182 120.400 0.014 0.000 2.263 356 K HA 0.354 4.674 4.320 0.000 0.000 0.272 356 K C -0.821 175.795 176.600 0.026 0.000 1.033 356 K CA -0.429 55.859 56.287 0.000 0.000 0.884 356 K CB 0.612 33.088 32.500 -0.040 0.000 1.107 356 K HN -0.022 nan 8.250 nan 0.000 0.460 357 Q N 4.232 124.048 119.800 0.027 0.000 2.323 357 Q HA 0.379 4.719 4.340 0.000 0.000 0.271 357 Q C -2.241 173.760 176.000 0.001 0.000 1.048 357 Q CA -1.862 53.964 55.803 0.038 0.000 0.792 357 Q CB 1.659 30.428 28.738 0.052 0.000 1.280 357 Q HN 0.716 nan 8.270 nan 0.000 0.441 358 P HA 0.145 nan 4.420 nan 0.000 0.274 358 P C 0.032 177.389 177.300 0.095 0.000 1.246 358 P CA -0.186 62.945 63.100 0.052 0.000 0.795 358 P CB 0.650 32.337 31.700 -0.022 0.000 1.006 359 T N -2.801 111.855 114.554 0.169 0.000 2.753 359 T HA 0.318 4.668 4.350 0.000 0.000 0.309 359 T C 1.301 175.979 174.700 -0.036 0.000 1.043 359 T CA 0.061 62.165 62.100 0.007 0.000 0.964 359 T CB -0.148 68.657 68.868 -0.104 0.000 1.206 359 T HN 0.462 nan 8.240 nan 0.000 0.528 360 G N -0.646 108.064 108.800 -0.149 0.000 3.284 360 G HA2 0.187 4.147 3.960 0.000 0.000 0.236 360 G HA3 0.187 4.147 3.960 0.000 0.000 0.236 360 G C 0.314 175.096 174.900 -0.197 0.000 1.158 360 G CA -0.417 44.601 45.100 -0.137 0.000 0.774 360 G HN 0.711 nan 8.290 nan 0.000 0.545 361 Q N 0.209 119.800 119.800 -0.348 0.000 2.300 361 Q HA 0.129 4.469 4.340 0.000 0.000 0.280 361 Q C 0.989 176.819 176.000 -0.283 0.000 1.033 361 Q CA 0.014 55.552 55.803 -0.441 0.000 0.903 361 Q CB 0.956 29.225 28.738 -0.781 0.000 1.195 361 Q HN 0.144 nan 8.270 nan 0.000 0.386 362 Q N 1.139 120.848 119.800 -0.152 0.000 2.250 362 Q HA 0.008 4.348 4.340 0.000 0.000 0.200 362 Q C -0.114 175.896 176.000 0.017 0.000 0.941 362 Q CA 0.927 56.707 55.803 -0.039 0.000 0.872 362 Q CB 0.591 29.307 28.738 -0.037 0.000 0.965 362 Q HN 0.469 nan 8.270 nan 0.000 0.480 363 Q N -1.269 118.526 119.800 -0.009 0.000 2.347 363 Q HA 0.132 4.472 4.340 0.000 0.000 0.271 363 Q C -0.439 175.645 176.000 0.141 0.000 1.064 363 Q CA -0.400 55.467 55.803 0.106 0.000 0.800 363 Q CB 1.045 29.838 28.738 0.092 0.000 1.304 363 Q HN 0.036 nan 8.270 nan 0.000 0.438 364 W N 3.214 124.564 121.300 0.083 0.000 2.350 364 W HA -0.014 4.646 4.660 0.000 0.000 0.289 364 W C 1.197 177.793 176.519 0.129 0.000 1.215 364 W CA 2.136 59.551 57.345 0.117 0.000 1.236 364 W CB -0.270 29.399 29.460 0.348 0.000 1.130 364 W HN 0.823 nan 8.180 nan 0.000 0.541 365 G N -0.439 108.546 108.800 0.308 0.000 2.848 365 G HA2 -0.119 3.841 3.960 0.000 0.000 0.208 365 G HA3 -0.119 3.841 3.960 0.000 0.000 0.208 365 G C -0.025 175.010 174.900 0.225 0.000 1.152 365 G CA -0.064 45.150 45.100 0.191 0.000 0.789 365 G HN -0.019 nan 8.290 nan 0.000 0.531 366 D N 0.624 121.105 120.400 0.135 0.000 2.339 366 D HA 0.125 4.765 4.640 0.000 0.000 0.256 366 D C 1.073 177.392 176.300 0.032 0.000 1.214 366 D CA -0.456 53.539 54.000 -0.008 0.000 0.877 366 D CB 0.459 41.200 40.800 -0.098 0.000 1.111 366 D HN 0.598 nan 8.370 nan 0.000 0.478 367 W N 1.215 122.552 121.300 0.062 0.000 2.868 367 W HA 0.187 4.847 4.660 0.000 0.000 0.320 367 W C -0.185 176.427 176.519 0.156 0.000 1.076 367 W CA -0.537 56.899 57.345 0.151 0.000 1.576 367 W CB -0.462 29.042 29.460 0.073 0.000 1.030 367 W HN 0.229 nan 8.180 nan 0.000 0.558 368 c N 5.684 123.850 118.600 -0.723 0.000 2.373 368 c HA 0.223 4.793 4.570 0.000 0.000 0.354 368 c C 1.060 175.013 174.090 -0.228 0.000 1.249 368 c CA -0.196 55.795 56.329 -0.564 0.000 1.784 368 c CB -1.511 40.380 42.510 -1.032 0.000 2.408 368 c HN 0.353 nan 8.230 nan 0.000 0.542 369 N N 3.860 122.492 118.700 -0.113 0.000 2.707 369 N HA -0.158 4.582 4.740 0.000 0.000 0.253 369 N C -0.066 175.425 175.510 -0.032 0.000 0.998 369 N CA 0.634 53.535 53.050 -0.248 0.000 0.751 369 N CB -0.994 37.422 38.487 -0.119 0.000 0.920 369 N HN 0.626 nan 8.380 nan 0.000 0.539 370 V N 1.166 121.004 119.914 -0.127 0.000 2.644 370 V HA -0.077 4.043 4.120 0.000 0.000 0.305 370 V C 1.414 177.436 176.094 -0.119 0.000 1.053 370 V CA -0.067 62.035 62.300 -0.330 0.000 1.186 370 V CB -0.046 31.160 31.823 -1.028 0.000 0.895 370 V HN 0.300 nan 8.190 nan 0.000 0.490 371 I N 2.113 122.598 120.570 -0.142 0.000 2.886 371 I HA 0.752 4.922 4.170 0.000 0.000 0.299 371 I C 1.165 177.165 176.117 -0.196 0.000 1.044 371 I CA 0.213 61.427 61.300 -0.144 0.000 1.310 371 I CB 0.145 38.078 38.000 -0.111 0.000 1.441 371 I HN 0.823 nan 8.210 nan 0.000 0.578 372 G N 1.770 110.448 108.800 -0.204 0.000 2.272 372 G HA2 -0.127 3.833 3.960 0.000 0.000 0.280 372 G HA3 -0.127 3.833 3.960 0.000 0.000 0.280 372 G C 0.143 174.939 174.900 -0.173 0.000 1.067 372 G CA 0.340 45.337 45.100 -0.173 0.000 0.902 372 G HN 1.366 nan 8.290 nan 0.000 0.500 373 T N -2.557 111.860 114.554 -0.229 0.000 2.930 373 T HA 0.933 5.283 4.350 0.000 0.000 0.290 373 T C 0.222 174.772 174.700 -0.251 0.000 1.052 373 T CA 0.010 62.009 62.100 -0.169 0.000 1.017 373 T CB 2.933 71.765 68.868 -0.059 0.000 1.137 373 T HN 1.718 nan 8.240 nan 0.000 0.511 374 G N 0.216 108.903 108.800 -0.188 0.000 2.704 374 G HA2 0.574 4.534 3.960 0.000 0.000 0.293 374 G HA3 0.574 4.534 3.960 0.000 0.000 0.293 374 G C -1.270 173.518 174.900 -0.187 0.000 1.421 374 G CA -0.961 43.990 45.100 -0.250 0.000 0.870 374 G HN 0.578 nan 8.290 nan 0.000 0.492 375 F N 0.553 120.460 119.950 -0.072 0.000 2.602 375 F HA 0.427 4.954 4.527 0.000 0.000 0.367 375 F C 1.369 177.176 175.800 0.011 0.000 1.126 375 F CA 1.377 59.310 58.000 -0.111 0.000 1.321 375 F CB 0.979 40.105 39.000 0.211 0.000 1.094 375 F HN 0.584 nan 8.300 nan 0.000 0.594 376 G N 2.012 110.939 108.800 0.213 0.000 3.212 376 G HA2 0.514 4.474 3.960 0.000 0.000 0.188 376 G HA3 0.514 4.474 3.960 0.000 0.000 0.188 376 G C -0.499 174.598 174.900 0.329 0.000 1.254 376 G CA -1.155 44.073 45.100 0.213 0.000 0.957 376 G HN 0.531 nan 8.290 nan 0.000 0.596 377 I N 1.860 122.507 120.570 0.130 0.000 3.089 377 I HA -0.091 4.079 4.170 0.000 0.000 0.321 377 I C 0.659 176.855 176.117 0.131 0.000 1.222 377 I CA 0.099 61.366 61.300 -0.055 0.000 1.452 377 I CB 0.138 37.845 38.000 -0.489 0.000 1.321 377 I HN 0.169 nan 8.210 nan 0.000 0.539 378 R N 7.015 127.498 120.500 -0.028 0.000 2.641 378 R HA 0.253 4.593 4.340 0.000 0.000 0.269 378 R C -2.259 173.921 176.300 -0.201 0.000 1.074 378 R CA -2.135 53.849 56.100 -0.193 0.000 1.133 378 R CB -0.495 29.664 30.300 -0.235 0.000 1.029 378 R HN 0.269 nan 8.270 nan 0.000 0.488 379 P HA -0.004 nan 4.420 nan 0.000 0.262 379 P C -0.528 176.731 177.300 -0.068 0.000 1.182 379 P CA 0.673 63.678 63.100 -0.159 0.000 0.761 379 P CB 0.691 32.253 31.700 -0.230 0.000 0.795 380 S N 2.035 117.740 115.700 0.009 0.000 2.560 380 S HA 0.512 4.982 4.470 0.000 0.000 0.283 380 S C 0.409 174.968 174.600 -0.068 0.000 1.141 380 S CA -0.110 58.099 58.200 0.014 0.000 0.902 380 S CB 0.605 63.849 63.200 0.074 0.000 1.104 380 S HN 0.275 nan 8.310 nan 0.000 0.454 381 A N 3.163 125.942 122.820 -0.068 0.000 2.167 381 A HA 0.222 4.542 4.320 0.000 0.000 0.214 381 A C 0.569 178.101 177.584 -0.087 0.000 1.151 381 A CA 0.393 52.365 52.037 -0.109 0.000 0.735 381 A CB -0.335 18.675 19.000 0.018 0.000 0.802 381 A HN 0.692 nan 8.150 nan 0.000 0.467 382 N N 1.199 119.884 118.700 -0.024 0.000 2.868 382 N HA 0.095 4.835 4.740 0.000 0.000 0.252 382 N C 0.892 176.426 175.510 0.041 0.000 1.130 382 N CA 0.789 53.845 53.050 0.010 0.000 1.026 382 N CB 0.836 39.347 38.487 0.039 0.000 1.335 382 N HN 0.490 nan 8.380 nan 0.000 0.516 383 T N -3.075 111.423 114.554 -0.094 0.000 3.065 383 T HA 0.108 4.458 4.350 0.000 0.000 0.252 383 T C 1.325 176.057 174.700 0.053 0.000 1.099 383 T CA 0.341 62.314 62.100 -0.212 0.000 1.063 383 T CB 0.024 68.456 68.868 -0.727 0.000 0.948 383 T HN 0.424 nan 8.240 nan 0.000 0.506 384 G N 1.170 110.019 108.800 0.081 0.000 2.283 384 G HA2 -0.228 3.732 3.960 0.000 0.000 0.280 384 G HA3 -0.228 3.732 3.960 0.000 0.000 0.280 384 G C -0.326 174.677 174.900 0.170 0.000 1.029 384 G CA 0.423 45.602 45.100 0.132 0.000 0.840 384 G HN 0.850 nan 8.290 nan 0.000 0.505 385 D N -1.994 118.490 120.400 0.140 0.000 2.934 385 D HA 0.579 5.219 4.640 0.000 0.000 0.230 385 D C 1.427 177.834 176.300 0.178 0.000 1.204 385 D CA 0.232 54.365 54.000 0.221 0.000 0.873 385 D CB 0.920 41.936 40.800 0.360 0.000 1.645 385 D HN 0.196 nan 8.370 nan 0.000 0.502 386 S N 2.485 118.313 115.700 0.214 0.000 2.402 386 S HA -0.110 4.360 4.470 0.000 0.000 0.229 386 S C 1.548 176.268 174.600 0.199 0.000 1.021 386 S CA 0.658 58.974 58.200 0.193 0.000 0.974 386 S CB -0.197 63.108 63.200 0.174 0.000 0.800 386 S HN 0.585 nan 8.310 nan 0.000 0.484 387 L N -0.341 120.951 121.223 0.115 0.000 2.515 387 L HA 0.430 4.771 4.340 0.000 0.000 0.223 387 L C 0.330 177.342 176.870 0.236 0.000 1.079 387 L CA -0.186 54.688 54.840 0.056 0.000 0.857 387 L CB 0.004 41.889 42.059 -0.290 0.000 1.050 387 L HN 0.246 nan 8.230 nan 0.000 0.476 388 L N 0.905 122.186 121.223 0.098 0.000 2.325 388 L HA 0.116 4.456 4.340 0.000 0.000 0.284 388 L C 0.882 177.685 176.870 -0.112 0.000 1.089 388 L CA 0.430 55.226 54.840 -0.073 0.000 0.836 388 L CB 0.414 42.203 42.059 -0.451 0.000 1.184 388 L HN -0.023 nan 8.230 nan 0.000 0.444 389 D N 1.310 121.693 120.400 -0.029 0.000 2.144 389 D HA -0.037 4.603 4.640 0.000 0.000 0.200 389 D C 0.384 176.461 176.300 -0.373 0.000 0.978 389 D CA 0.958 54.915 54.000 -0.072 0.000 0.833 389 D CB 0.420 41.306 40.800 0.144 0.000 0.961 389 D HN 0.467 nan 8.370 nan 0.000 0.470 390 S N -1.712 113.599 115.700 -0.648 0.000 2.586 390 S HA 0.348 4.818 4.470 0.000 0.000 0.277 390 S C -1.712 172.416 174.600 -0.786 0.000 1.131 390 S CA -0.806 56.887 58.200 -0.844 0.000 0.848 390 S CB 0.033 62.378 63.200 -1.425 0.000 1.091 390 S HN -0.137 nan 8.310 nan 0.000 0.453 391 F N 2.475 122.159 119.950 -0.444 0.000 2.375 391 F HA 0.664 5.191 4.527 0.000 0.000 0.333 391 F C 0.770 176.434 175.800 -0.227 0.000 1.104 391 F CA -0.108 57.696 58.000 -0.328 0.000 1.149 391 F CB 1.620 40.467 39.000 -0.254 0.000 1.190 391 F HN 0.515 nan 8.300 nan 0.000 0.533 392 V N -1.222 118.765 119.914 0.122 0.000 3.181 392 V HA 0.572 4.692 4.120 0.000 0.000 0.308 392 V C -2.048 174.328 176.094 0.471 0.000 1.214 392 V CA -1.124 61.297 62.300 0.202 0.000 1.053 392 V CB 2.205 34.101 31.823 0.121 0.000 1.069 392 V HN 0.633 nan 8.190 nan 0.000 0.441 393 W N 1.446 122.836 121.300 0.150 0.000 2.443 393 W HA 0.754 5.414 4.660 0.000 0.000 0.303 393 W C 0.439 177.073 176.519 0.192 0.000 0.991 393 W CA -1.168 56.262 57.345 0.141 0.000 1.522 393 W CB 1.061 30.601 29.460 0.133 0.000 1.315 393 W HN 0.492 nan 8.180 nan 0.000 0.419 394 V N 1.495 121.524 119.914 0.192 0.000 2.300 394 V HA -0.082 4.038 4.120 0.000 0.000 0.241 394 V C 1.056 177.441 176.094 0.485 0.000 1.034 394 V CA 0.937 63.264 62.300 0.045 0.000 1.021 394 V CB -0.528 31.108 31.823 -0.312 0.000 0.662 394 V HN 0.099 nan 8.190 nan 0.000 0.458 395 K N 2.674 123.302 120.400 0.380 0.000 2.316 395 K HA 0.217 4.537 4.320 0.000 0.000 0.289 395 K C -2.836 173.881 176.600 0.194 0.000 1.070 395 K CA -2.115 54.354 56.287 0.303 0.000 0.928 395 K CB 0.727 33.264 32.500 0.062 0.000 1.039 395 K HN 0.158 nan 8.250 nan 0.000 0.480 396 P HA 0.132 nan 4.420 nan 0.000 0.275 396 P C -0.419 177.048 177.300 0.278 0.000 1.276 396 P CA -0.280 62.925 63.100 0.175 0.000 0.782 396 P CB 1.140 32.977 31.700 0.228 0.000 0.851 397 G N 2.703 111.712 108.800 0.349 0.000 2.254 397 G HA2 0.338 4.298 3.960 0.000 0.000 0.253 397 G HA3 0.338 4.298 3.960 0.000 0.000 0.253 397 G C 1.021 176.256 174.900 0.558 0.000 1.246 397 G CA 0.463 45.804 45.100 0.402 0.000 0.946 397 G HN 0.762 nan 8.290 nan 0.000 0.474 398 G N 1.980 110.901 108.800 0.201 0.000 2.617 398 G HA2 -0.191 3.769 3.960 0.000 0.000 0.197 398 G HA3 -0.191 3.769 3.960 0.000 0.000 0.197 398 G C 0.238 174.841 174.900 -0.496 0.000 1.017 398 G CA -0.099 44.780 45.100 -0.368 0.000 0.713 398 G HN 0.698 nan 8.290 nan 0.000 0.481 399 E N 0.895 121.088 120.200 -0.011 0.000 2.259 399 E HA 0.438 4.788 4.350 0.000 0.000 0.281 399 E C 0.424 177.015 176.600 -0.015 0.000 1.037 399 E CA -0.364 56.088 56.400 0.087 0.000 0.854 399 E CB 1.572 31.396 29.700 0.208 0.000 1.051 399 E HN 0.341 nan 8.360 nan 0.000 0.409 400 C N 3.397 122.709 119.300 0.020 0.000 2.703 400 C HA -0.029 4.431 4.460 0.000 0.000 0.411 400 C C 1.244 176.218 174.990 -0.027 0.000 1.290 400 C CA -0.174 58.849 59.018 0.010 0.000 2.054 400 C CB -0.159 27.585 27.740 0.007 0.000 2.732 400 C HN 0.767 nan 8.230 nan 0.000 0.650 401 D N 1.028 121.420 120.400 -0.014 0.000 2.327 401 D HA 0.261 4.901 4.640 0.000 0.000 0.205 401 D C 0.702 177.098 176.300 0.161 0.000 0.989 401 D CA 1.287 55.337 54.000 0.083 0.000 0.873 401 D CB 0.400 41.315 40.800 0.192 0.000 0.955 401 D HN 0.903 nan 8.370 nan 0.000 0.515 402 G N -0.735 108.110 108.800 0.074 0.000 2.340 402 G HA2 0.236 4.196 3.960 0.000 0.000 0.298 402 G HA3 0.236 4.196 3.960 0.000 0.000 0.298 402 G C -1.227 173.677 174.900 0.007 0.000 1.498 402 G CA -0.678 44.466 45.100 0.074 0.000 0.847 402 G HN -0.108 nan 8.290 nan 0.000 0.594 403 T N -0.965 113.608 114.554 0.033 0.000 2.909 403 T HA 0.513 4.863 4.350 0.000 0.000 0.289 403 T C 1.567 176.362 174.700 0.157 0.000 1.005 403 T CA 0.625 62.748 62.100 0.040 0.000 1.084 403 T CB 0.940 69.845 68.868 0.063 0.000 0.975 403 T HN 1.503 nan 8.240 nan 0.000 0.509 404 S N 2.176 117.956 115.700 0.135 0.000 2.540 404 S HA 0.143 4.613 4.470 0.000 0.000 0.218 404 S C 0.313 175.025 174.600 0.186 0.000 0.977 404 S CA -0.447 57.916 58.200 0.272 0.000 0.918 404 S CB 0.040 63.307 63.200 0.112 0.000 0.806 404 S HN 0.711 nan 8.310 nan 0.000 0.496 405 D N 3.137 123.594 120.400 0.095 0.000 2.359 405 D HA 0.210 4.850 4.640 0.000 0.000 0.250 405 D C 1.325 177.437 176.300 -0.313 0.000 1.264 405 D CA 0.171 54.115 54.000 -0.093 0.000 0.911 405 D CB 1.104 41.878 40.800 -0.044 0.000 1.056 405 D HN 0.293 nan 8.370 nan 0.000 0.499 406 S N 1.672 116.915 115.700 -0.763 0.000 2.469 406 S HA -0.177 4.293 4.470 0.000 0.000 0.238 406 S C 1.536 175.873 174.600 -0.438 0.000 0.998 406 S CA 0.963 58.472 58.200 -1.152 0.000 0.957 406 S CB -0.271 62.347 63.200 -0.971 0.000 0.764 406 S HN 0.360 nan 8.310 nan 0.000 0.514 407 S N 0.314 115.867 115.700 -0.245 0.000 2.556 407 S HA 0.668 5.138 4.470 0.000 0.000 0.216 407 S C 0.477 175.045 174.600 -0.053 0.000 0.970 407 S CA -0.186 57.943 58.200 -0.118 0.000 0.912 407 S CB -0.024 63.119 63.200 -0.096 0.000 0.790 407 S HN 0.732 nan 8.310 nan 0.000 0.504 408 A N 3.026 125.828 122.820 -0.031 0.000 2.306 408 A HA 0.771 5.091 4.320 0.000 0.000 0.330 408 A C -2.550 175.080 177.584 0.077 0.000 1.146 408 A CA -2.130 49.922 52.037 0.024 0.000 0.827 408 A CB 0.416 19.435 19.000 0.031 0.000 1.178 408 A HN 0.326 nan 8.150 nan 0.000 0.490 409 P HA 0.186 nan 4.420 nan 0.000 0.271 409 P C -0.496 176.867 177.300 0.104 0.000 1.218 409 P CA 0.030 63.178 63.100 0.080 0.000 0.780 409 P CB 0.604 32.336 31.700 0.053 0.000 0.901 410 R N -1.404 119.162 120.500 0.111 0.000 3.963 410 R HA -0.198 4.142 4.340 0.000 0.000 0.394 410 R C 0.138 176.516 176.300 0.131 0.000 1.131 410 R CA 0.318 56.480 56.100 0.103 0.000 1.059 410 R CB -3.415 26.933 30.300 0.081 0.000 1.614 410 R HN 0.597 nan 8.270 nan 0.000 0.546 411 F N 3.085 123.057 119.950 0.037 0.000 2.608 411 F HA 0.154 4.681 4.527 -0.000 0.000 0.380 411 F C 0.473 176.309 175.800 0.061 0.000 1.083 411 F CA -0.284 57.736 58.000 0.032 0.000 1.266 411 F CB 0.418 39.426 39.000 0.014 0.000 1.076 411 F HN -0.002 nan 8.300 nan 0.000 0.574 412 D N 4.403 124.354 120.400 -0.748 0.000 2.425 412 D HA 0.092 4.732 4.640 0.000 0.000 0.240 412 D C 0.746 176.473 176.300 -0.955 0.000 1.080 412 D CA -0.085 53.559 54.000 -0.593 0.000 0.836 412 D CB 2.012 42.759 40.800 -0.089 0.000 1.125 412 D HN 0.706 nan 8.370 nan 0.000 0.525 413 S N 2.986 118.192 115.700 -0.822 0.000 2.402 413 S HA -0.250 4.220 4.470 0.000 0.000 0.233 413 S C 1.304 175.690 174.600 -0.358 0.000 1.030 413 S CA 1.500 59.380 58.200 -0.534 0.000 1.003 413 S CB -0.265 62.767 63.200 -0.281 0.000 0.813 413 S HN 0.576 nan 8.310 nan 0.000 0.477 414 H N -0.535 118.341 119.070 -0.324 0.000 2.489 414 H HA 0.043 4.599 4.556 0.000 0.000 0.293 414 H C 1.961 177.007 175.328 -0.469 0.000 1.066 414 H CA 1.446 57.254 56.048 -0.400 0.000 1.305 414 H CB -0.370 29.045 29.762 -0.577 0.000 1.386 414 H HN 0.432 nan 8.280 nan 0.000 0.551 415 c N -0.025 118.396 118.600 -0.298 0.000 2.613 415 c HA 0.432 5.002 4.570 0.000 0.000 0.273 415 c C 2.229 176.284 174.090 -0.058 0.000 1.304 415 c CA 0.495 56.694 56.329 -0.217 0.000 1.702 415 c CB -1.119 41.293 42.510 -0.164 0.000 1.792 415 c HN 0.630 nan 8.230 nan 0.000 0.588 416 A N -0.333 122.467 122.820 -0.034 0.000 2.431 416 A HA 0.418 4.738 4.320 0.000 0.000 0.239 416 A C 0.637 178.220 177.584 -0.002 0.000 1.230 416 A CA -0.065 52.018 52.037 0.076 0.000 0.928 416 A CB -0.020 19.137 19.000 0.261 0.000 1.006 416 A HN 0.512 nan 8.150 nan 0.000 0.520 417 L N 0.640 121.820 121.223 -0.072 0.000 2.482 417 L HA 0.112 4.452 4.340 0.000 0.000 0.273 417 L C -0.840 175.993 176.870 -0.062 0.000 1.228 417 L CA -1.350 53.440 54.840 -0.083 0.000 0.827 417 L CB 0.310 42.291 42.059 -0.130 0.000 1.099 417 L HN 0.129 nan 8.230 nan 0.000 0.494 418 P HA -0.183 nan 4.420 nan 0.000 0.219 418 P C 0.381 177.646 177.300 -0.058 0.000 1.146 418 P CA 1.277 64.351 63.100 -0.045 0.000 0.808 418 P CB -0.052 31.624 31.700 -0.040 0.000 0.779 419 D N -0.702 119.648 120.400 -0.083 0.000 2.336 419 D HA 0.240 4.880 4.640 0.000 0.000 0.228 419 D C 0.207 176.437 176.300 -0.117 0.000 1.120 419 D CA -0.552 53.383 54.000 -0.107 0.000 0.839 419 D CB -0.379 40.338 40.800 -0.138 0.000 0.932 419 D HN 0.057 nan 8.370 nan 0.000 0.509 420 A N 0.635 123.403 122.820 -0.087 0.000 2.303 420 A HA 0.520 4.840 4.320 0.000 0.000 0.320 420 A C -0.516 177.080 177.584 0.021 0.000 1.192 420 A CA -0.846 51.153 52.037 -0.064 0.000 0.821 420 A CB 0.777 19.712 19.000 -0.107 0.000 1.188 420 A HN 0.244 nan 8.150 nan 0.000 0.492 421 L N 2.387 123.666 121.223 0.094 0.000 2.490 421 L HA 0.180 4.520 4.340 0.000 0.000 0.274 421 L C -0.040 176.994 176.870 0.273 0.000 1.201 421 L CA 1.127 56.066 54.840 0.164 0.000 0.869 421 L CB 0.362 42.520 42.059 0.165 0.000 1.123 421 L HN 0.693 nan 8.230 nan 0.000 0.484 422 Q N 5.956 125.880 119.800 0.207 0.000 2.345 422 Q HA 0.610 4.950 4.340 0.000 0.000 0.268 422 Q C -2.308 173.804 176.000 0.187 0.000 1.054 422 Q CA -1.688 54.213 55.803 0.163 0.000 0.835 422 Q CB 1.390 30.173 28.738 0.075 0.000 1.339 422 Q HN 0.532 nan 8.270 nan 0.000 0.447 423 P HA 0.555 nan 4.420 nan 0.000 0.292 423 P C -1.469 175.698 177.300 -0.222 0.000 1.283 423 P CA -0.512 62.584 63.100 -0.007 0.000 0.835 423 P CB 1.406 33.088 31.700 -0.029 0.000 1.017 424 A N 4.668 127.302 122.820 -0.310 0.000 2.317 424 A HA 0.726 5.046 4.320 0.000 0.000 0.327 424 A C -2.358 174.948 177.584 -0.464 0.000 1.178 424 A CA -1.734 49.863 52.037 -0.734 0.000 0.817 424 A CB 0.788 19.575 19.000 -0.355 0.000 1.189 424 A HN 0.426 nan 8.150 nan 0.000 0.489 425 P HA 0.175 nan 4.420 nan 0.000 0.293 425 P C -0.678 176.547 177.300 -0.125 0.000 1.304 425 P CA -0.437 62.518 63.100 -0.241 0.000 0.767 425 P CB 0.485 32.062 31.700 -0.205 0.000 1.247 426 Q N -0.741 119.033 119.800 -0.042 0.000 2.428 426 Q HA 0.169 4.509 4.340 0.000 0.000 0.276 426 Q C 0.296 176.305 176.000 0.015 0.000 1.059 426 Q CA 0.369 56.177 55.803 0.007 0.000 0.923 426 Q CB -0.085 28.671 28.738 0.030 0.000 1.283 426 Q HN 0.515 nan 8.270 nan 0.000 0.447 427 A N 0.679 123.522 122.820 0.039 0.000 2.546 427 A HA 0.382 4.702 4.320 0.000 0.000 0.243 427 A C 1.240 178.853 177.584 0.049 0.000 1.063 427 A CA 0.824 52.886 52.037 0.043 0.000 0.757 427 A CB -0.435 18.604 19.000 0.064 0.000 0.991 427 A HN 0.966 nan 8.150 nan 0.000 0.503 428 G N 0.898 109.720 108.800 0.037 0.000 2.241 428 G HA2 0.119 4.079 3.960 0.000 0.000 0.244 428 G HA3 0.119 4.079 3.960 0.000 0.000 0.244 428 G C 0.676 175.673 174.900 0.161 0.000 0.998 428 G CA 0.522 45.670 45.100 0.080 0.000 0.621 428 G HN 2.198 nan 8.290 nan 0.000 0.519 429 A N 0.403 123.302 122.820 0.131 0.000 2.332 429 A HA 0.500 4.820 4.320 0.000 0.000 0.258 429 A C 0.405 178.128 177.584 0.232 0.000 1.087 429 A CA 0.040 52.179 52.037 0.171 0.000 0.802 429 A CB 0.276 19.337 19.000 0.100 0.000 1.042 429 A HN 0.911 nan 8.150 nan 0.000 0.489 430 W N 2.544 123.889 121.300 0.075 0.000 2.308 430 W HA 0.291 4.951 4.660 -0.000 0.000 0.324 430 W C -1.413 175.222 176.519 0.194 0.000 1.387 430 W CA 0.092 57.501 57.345 0.106 0.000 1.250 430 W CB 0.624 30.096 29.460 0.019 0.000 1.257 430 W HN 0.472 nan 8.180 nan 0.000 0.554 431 F N 7.013 126.663 119.950 -0.500 0.000 2.363 431 F HA 0.105 4.632 4.527 0.000 0.000 0.366 431 F C 1.134 176.708 175.800 -0.377 0.000 1.083 431 F CA -1.239 56.590 58.000 -0.285 0.000 1.176 431 F CB 0.367 39.255 39.000 -0.187 0.000 1.432 431 F HN 0.468 nan 8.300 nan 0.000 0.482 432 Q N 4.384 124.254 119.800 0.116 0.000 2.062 432 Q HA -0.203 4.137 4.340 0.000 0.000 0.209 432 Q C 1.994 178.065 176.000 0.119 0.000 0.996 432 Q CA 2.769 58.684 55.803 0.186 0.000 0.859 432 Q CB -0.230 28.707 28.738 0.333 0.000 0.920 432 Q HN 0.676 nan 8.270 nan 0.000 0.415 433 A N -1.011 121.868 122.820 0.099 0.000 1.940 433 A HA -0.205 4.115 4.320 0.000 0.000 0.219 433 A C 2.053 179.422 177.584 -0.357 0.000 1.176 433 A CA 1.616 53.608 52.037 -0.075 0.000 0.631 433 A CB -1.040 17.979 19.000 0.031 0.000 0.814 433 A HN 0.632 nan 8.150 nan 0.000 0.446 434 Y N -1.435 118.347 120.300 -0.863 0.000 2.263 434 Y HA -0.112 4.438 4.550 0.000 0.000 0.292 434 Y C 1.975 177.612 175.900 -0.439 0.000 1.130 434 Y CA 1.662 59.280 58.100 -0.804 0.000 1.179 434 Y CB -0.389 37.434 38.460 -1.061 0.000 0.998 434 Y HN 0.370 nan 8.280 nan 0.000 0.532 435 F N -0.321 119.417 119.950 -0.353 0.000 2.095 435 F HA -0.235 4.292 4.527 0.000 0.000 0.298 435 F C 2.094 177.796 175.800 -0.165 0.000 1.104 435 F CA 1.791 59.662 58.000 -0.215 0.000 1.232 435 F CB -0.814 38.142 39.000 -0.072 0.000 0.987 435 F HN -0.140 nan 8.300 nan 0.000 0.475 436 V N 0.764 120.604 119.914 -0.124 0.000 2.343 436 V HA -0.350 3.770 4.120 0.000 0.000 0.247 436 V C 2.459 178.367 176.094 -0.311 0.000 1.051 436 V CA 2.263 64.460 62.300 -0.172 0.000 1.036 436 V CB -1.005 30.797 31.823 -0.035 0.000 0.654 436 V HN 0.520 nan 8.190 nan 0.000 0.451 437 Q N -0.228 119.324 119.800 -0.414 0.000 2.084 437 Q HA -0.201 4.139 4.340 0.000 0.000 0.202 437 Q C 2.284 177.959 176.000 -0.542 0.000 0.978 437 Q CA 1.853 57.372 55.803 -0.472 0.000 0.844 437 Q CB -0.154 28.202 28.738 -0.636 0.000 0.898 437 Q HN 0.615 nan 8.270 nan 0.000 0.426 438 L N 0.327 121.094 121.223 -0.760 0.000 2.046 438 L HA -0.205 4.135 4.340 0.000 0.000 0.208 438 L C 2.534 179.015 176.870 -0.647 0.000 1.077 438 L CA 0.619 54.900 54.840 -0.931 0.000 0.747 438 L CB -0.483 40.644 42.059 -1.553 0.000 0.896 438 L HN 0.332 nan 8.230 nan 0.000 0.432 439 L N -0.493 120.438 121.223 -0.487 0.000 2.017 439 L HA -0.181 4.159 4.340 0.000 0.000 0.208 439 L C 2.473 179.340 176.870 -0.004 0.000 1.073 439 L CA 2.132 56.930 54.840 -0.070 0.000 0.745 439 L CB -0.882 41.024 42.059 -0.254 0.000 0.894 439 L HN 0.146 nan 8.230 nan 0.000 0.432 440 T N 0.401 114.887 114.554 -0.113 0.000 2.720 440 T HA -0.132 4.218 4.350 0.000 0.000 0.268 440 T C 1.371 176.039 174.700 -0.054 0.000 1.037 440 T CA 1.685 63.744 62.100 -0.068 0.000 1.144 440 T CB -0.332 68.474 68.868 -0.104 0.000 0.864 440 T HN 0.365 nan 8.240 nan 0.000 0.444 441 N N 1.315 119.951 118.700 -0.107 0.000 2.314 441 N HA 0.311 5.051 4.740 0.000 0.000 0.200 441 N C 0.232 175.728 175.510 -0.024 0.000 1.135 441 N CA -0.099 52.901 53.050 -0.084 0.000 0.835 441 N CB -0.016 38.385 38.487 -0.142 0.000 0.989 441 N HN 0.378 nan 8.380 nan 0.000 0.478 442 A N 1.541 124.401 122.820 0.067 0.000 2.540 442 A HA 0.134 4.454 4.320 0.000 0.000 0.239 442 A C 0.404 178.039 177.584 0.086 0.000 1.061 442 A CA 0.264 52.421 52.037 0.200 0.000 0.758 442 A CB -0.209 19.080 19.000 0.482 0.000 0.991 442 A HN 0.357 nan 8.150 nan 0.000 0.502 443 N N 2.157 120.902 118.700 0.075 0.000 2.599 443 N HA 0.417 5.157 4.740 0.000 0.000 0.283 443 N C -3.306 172.211 175.510 0.011 0.000 1.160 443 N CA -1.233 51.825 53.050 0.013 0.000 0.869 443 N CB 1.560 40.054 38.487 0.013 0.000 1.448 443 N HN 0.228 nan 8.380 nan 0.000 0.535 444 P HA -0.001 nan 4.420 nan 0.000 0.266 444 P C -0.358 176.812 177.300 -0.217 0.000 1.193 444 P CA 0.096 63.115 63.100 -0.134 0.000 0.770 444 P CB 0.631 32.222 31.700 -0.182 0.000 0.836 445 S N 1.416 117.018 115.700 -0.162 0.000 2.603 445 S HA 0.254 4.724 4.470 0.000 0.000 0.268 445 S C 0.413 174.869 174.600 -0.240 0.000 1.317 445 S CA -0.182 57.949 58.200 -0.114 0.000 1.012 445 S CB -0.176 63.010 63.200 -0.023 0.000 0.926 445 S HN 0.248 nan 8.310 nan 0.000 0.539 446 F N 1.554 121.545 119.950 0.068 0.000 2.653 446 F HA 0.403 4.930 4.527 0.000 0.000 0.288 446 F C 0.862 176.688 175.800 0.043 0.000 1.121 446 F CA -0.147 57.888 58.000 0.057 0.000 1.384 446 F CB -0.022 39.024 39.000 0.076 0.000 1.115 446 F HN 0.325 nan 8.300 nan 0.000 0.599 447 L N 0.000 121.347 121.223 0.206 0.000 2.949 447 L HA 0.000 4.340 4.340 0.000 0.000 0.249 447 L CA 0.000 54.914 54.840 0.124 0.000 0.813 447 L CB 0.000 42.116 42.059 0.094 0.000 0.961 447 L HN 0.000 nan 8.230 nan 0.000 0.502