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 1qk0_1_A DATA FIRST_RESID 85 DATA SEQUENCE TATYSGNPFV GVTPWANAYY ASEVSSLAIP SLTGAMATAA AAVAKVPSFM DATA SEQUENCE WLDTLDKTPL MEQTLADIRT ANKNGGNYAG QFVVYDLPDR DcAALASNGE DATA SEQUENCE YSIADGGVAK YKNYIDTIRQ IVVEYSDIRT LLVIEPDSLA NLVTNLGTPK DATA SEQUENCE cANAQSAYLE CINYAVTQLN LPNVAMYLDA GHAGWLGWPA NQDPAAQLFA DATA SEQUENCE NVYKNASSPR ALRGLATNVA NYNGWNITSP PSYTQGNAVY NEKLYIHAIG DATA SEQUENCE PLLANHGWSN AFFITDQGRS GKQPTGQQQW GDWcNVIGTG FGIRPSANTG DATA SEQUENCE DSLLDSFVWV KPGGECDGTS DSSAPRFDSH cALPDALQPA PQAGAWFQAY DATA SEQUENCE FVQLLTNANP SFL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 85 T HA 0.000 nan 4.350 nan 0.000 0.228 85 T C 0.000 174.708 174.700 0.014 0.000 1.109 85 T CA 0.000 62.099 62.100 -0.002 0.000 1.349 85 T CB 0.000 68.864 68.868 -0.007 0.000 0.612 86 A N 3.489 126.329 122.820 0.034 0.000 3.019 86 A HA 0.515 4.835 4.320 -0.000 0.000 0.262 86 A C 1.051 178.703 177.584 0.114 0.000 1.509 86 A CA 0.142 52.213 52.037 0.057 0.000 1.159 86 A CB -1.193 17.838 19.000 0.052 0.000 1.042 86 A HN 0.594 nan 8.150 nan 0.000 0.641 87 T N -1.272 113.326 114.554 0.073 0.000 2.795 87 T HA 0.429 4.779 4.350 -0.000 0.000 0.314 87 T C -0.173 174.600 174.700 0.123 0.000 1.069 87 T CA 0.336 62.463 62.100 0.045 0.000 1.071 87 T CB 0.268 69.104 68.868 -0.054 0.000 0.988 87 T HN 0.990 nan 8.240 nan 0.000 0.543 88 Y N -2.076 118.206 120.300 -0.029 0.000 2.638 88 Y HA 0.720 5.270 4.550 -0.000 0.000 0.335 88 Y C -0.750 175.133 175.900 -0.029 0.000 1.155 88 Y CA -1.421 56.660 58.100 -0.031 0.000 1.046 88 Y CB 1.251 39.688 38.460 -0.038 0.000 1.303 88 Y HN 0.753 nan 8.280 nan 0.000 0.460 89 S N 1.567 117.313 115.700 0.077 0.000 2.552 89 S HA 0.712 5.182 4.470 -0.000 0.000 0.314 89 S C 0.248 174.904 174.600 0.094 0.000 1.099 89 S CA 0.406 58.610 58.200 0.007 0.000 1.070 89 S CB 0.315 63.510 63.200 -0.009 0.000 0.998 89 S HN 2.126 nan 8.310 nan 0.000 0.474 90 G N 4.840 113.684 108.800 0.073 0.000 2.509 90 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.259 90 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.259 90 G C -0.147 174.777 174.900 0.040 0.000 1.169 90 G CA -0.027 45.075 45.100 0.004 0.000 0.953 90 G HN 0.925 nan 8.290 nan 0.000 0.563 91 N N 3.156 121.808 118.700 -0.079 0.000 2.429 91 N HA 0.206 4.946 4.740 -0.000 0.000 0.271 91 N C -0.228 175.286 175.510 0.007 0.000 1.272 91 N CA -0.905 52.121 53.050 -0.040 0.000 0.921 91 N CB 1.081 39.536 38.487 -0.054 0.000 1.128 91 N HN 0.302 nan 8.380 nan 0.000 0.481 92 P HA -0.103 nan 4.420 nan 0.000 0.225 92 P C 0.711 177.780 177.300 -0.384 0.000 1.148 92 P CA 0.982 63.765 63.100 -0.529 0.000 0.779 92 P CB -0.015 31.175 31.700 -0.849 0.000 0.780 93 F N -0.422 119.458 119.950 -0.117 0.000 2.780 93 F HA 0.042 4.569 4.527 -0.000 0.000 0.299 93 F C 1.358 177.116 175.800 -0.071 0.000 1.146 93 F CA 0.184 58.135 58.000 -0.083 0.000 1.428 93 F CB -0.233 38.726 39.000 -0.068 0.000 1.115 93 F HN -0.328 nan 8.300 nan 0.000 0.583 94 V N 0.072 120.028 119.914 0.070 0.000 2.465 94 V HA 0.517 4.637 4.120 -0.000 0.000 0.279 94 V C 0.993 177.090 176.094 0.005 0.000 1.045 94 V CA 0.144 62.465 62.300 0.035 0.000 0.938 94 V CB 0.616 32.454 31.823 0.025 0.000 0.986 94 V HN 0.465 nan 8.190 nan 0.000 0.467 95 G N 3.595 112.395 108.800 0.000 0.000 2.175 95 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.244 95 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.244 95 G C -0.039 174.842 174.900 -0.032 0.000 0.982 95 G CA 0.362 45.456 45.100 -0.011 0.000 0.641 95 G HN 1.620 nan 8.290 nan 0.000 0.527 96 V N -4.223 115.669 119.914 -0.037 0.000 3.202 96 V HA 0.982 5.102 4.120 -0.000 0.000 0.306 96 V C -0.357 175.718 176.094 -0.032 0.000 1.283 96 V CA -0.231 62.035 62.300 -0.056 0.000 1.065 96 V CB 1.870 33.649 31.823 -0.074 0.000 1.079 96 V HN 0.604 nan 8.190 nan 0.000 0.448 97 T N 2.300 116.837 114.554 -0.028 0.000 2.881 97 T HA 0.594 4.944 4.350 -0.000 0.000 0.291 97 T C -2.980 171.846 174.700 0.210 0.000 0.990 97 T CA -1.062 61.069 62.100 0.051 0.000 0.976 97 T CB 1.712 70.550 68.868 -0.050 0.000 0.970 97 T HN 0.724 nan 8.240 nan 0.000 0.438 98 P HA -0.005 nan 4.420 nan 0.000 0.264 98 P C -0.427 177.001 177.300 0.213 0.000 1.193 98 P CA -0.406 62.773 63.100 0.132 0.000 0.763 98 P CB 0.481 32.233 31.700 0.086 0.000 0.810 99 W N 4.731 126.000 121.300 -0.053 0.000 2.266 99 W HA 0.413 5.073 4.660 -0.000 0.000 0.317 99 W C -0.774 175.633 176.519 -0.187 0.000 1.310 99 W CA -0.712 56.524 57.345 -0.181 0.000 1.207 99 W CB 0.728 30.052 29.460 -0.226 0.000 1.199 99 W HN 0.328 nan 8.180 nan 0.000 0.544 100 A N 6.029 128.384 122.820 -0.775 0.000 2.316 100 A HA 0.199 4.518 4.320 -0.000 0.000 0.311 100 A C -0.053 177.029 177.584 -0.837 0.000 1.339 100 A CA -0.582 51.112 52.037 -0.572 0.000 0.960 100 A CB -0.382 18.351 19.000 -0.445 0.000 1.152 100 A HN 0.710 nan 8.150 nan 0.000 0.547 101 N N 1.971 120.472 118.700 -0.332 0.000 2.453 101 N HA 0.333 5.073 4.740 -0.000 0.000 0.253 101 N C 0.931 176.465 175.510 0.040 0.000 1.252 101 N CA 0.200 53.235 53.050 -0.025 0.000 0.917 101 N CB 0.951 39.565 38.487 0.213 0.000 1.117 101 N HN 0.408 nan 8.380 nan 0.000 0.442 102 A N 0.797 123.712 122.820 0.159 0.000 2.014 102 A HA -0.132 4.188 4.320 -0.000 0.000 0.218 102 A C 1.812 179.476 177.584 0.133 0.000 1.163 102 A CA 0.752 52.855 52.037 0.110 0.000 0.652 102 A CB -1.227 17.863 19.000 0.150 0.000 0.808 102 A HN 0.827 nan 8.150 nan 0.000 0.449 103 Y N -1.192 119.171 120.300 0.106 0.000 2.089 103 Y HA -0.284 4.266 4.550 0.000 0.000 0.282 103 Y C 2.245 178.201 175.900 0.093 0.000 1.139 103 Y CA 2.362 60.527 58.100 0.108 0.000 1.123 103 Y CB -0.602 37.963 38.460 0.174 0.000 0.980 103 Y HN 0.404 nan 8.280 nan 0.000 0.493 104 Y N 0.362 120.776 120.300 0.190 0.000 2.242 104 Y HA -0.147 4.403 4.550 -0.000 0.000 0.291 104 Y C 2.407 178.247 175.900 -0.099 0.000 1.137 104 Y CA 1.382 59.532 58.100 0.083 0.000 1.181 104 Y CB -0.841 37.742 38.460 0.205 0.000 0.989 104 Y HN 0.196 nan 8.280 nan 0.000 0.527 105 A N -1.197 121.585 122.820 -0.065 0.000 1.972 105 A HA -0.192 4.128 4.320 -0.000 0.000 0.219 105 A C 2.490 179.888 177.584 -0.310 0.000 1.169 105 A CA 1.835 53.754 52.037 -0.197 0.000 0.635 105 A CB -1.254 17.677 19.000 -0.115 0.000 0.810 105 A HN 0.496 nan 8.150 nan 0.000 0.446 106 S N -0.476 115.051 115.700 -0.287 0.000 2.368 106 S HA -0.182 4.288 4.470 -0.000 0.000 0.224 106 S C 1.865 176.160 174.600 -0.509 0.000 1.029 106 S CA 1.544 59.548 58.200 -0.327 0.000 0.988 106 S CB -0.373 62.666 63.200 -0.269 0.000 0.838 106 S HN 0.660 nan 8.310 nan 0.000 0.462 107 E N 0.211 120.000 120.200 -0.685 0.000 2.038 107 E HA -0.123 4.227 4.350 -0.000 0.000 0.195 107 E C 2.197 177.979 176.600 -1.362 0.000 1.000 107 E CA 1.649 57.423 56.400 -1.044 0.000 0.803 107 E CB -0.345 28.686 29.700 -1.116 0.000 0.750 107 E HN 0.395 nan 8.360 nan 0.000 0.448 108 V N 1.069 120.235 119.914 -1.247 0.000 2.295 108 V HA -0.245 3.875 4.120 -0.000 0.000 0.246 108 V C 2.282 178.003 176.094 -0.622 0.000 1.049 108 V CA 2.012 63.693 62.300 -1.032 0.000 1.024 108 V CB -0.422 30.959 31.823 -0.737 0.000 0.648 108 V HN 0.193 nan 8.190 nan 0.000 0.447 109 S N -0.330 115.093 115.700 -0.462 0.000 2.406 109 S HA -0.106 4.364 4.470 -0.000 0.000 0.228 109 S C 2.044 176.477 174.600 -0.278 0.000 1.020 109 S CA 1.490 59.514 58.200 -0.294 0.000 0.965 109 S CB -0.058 63.009 63.200 -0.221 0.000 0.798 109 S HN 0.582 nan 8.310 nan 0.000 0.488 110 S N 0.417 115.907 115.700 -0.350 0.000 2.502 110 S HA 0.357 4.827 4.470 -0.000 0.000 0.215 110 S C 1.379 175.791 174.600 -0.314 0.000 1.009 110 S CA -0.007 58.023 58.200 -0.283 0.000 0.908 110 S CB 0.179 63.229 63.200 -0.251 0.000 0.801 110 S HN 0.323 nan 8.310 nan 0.000 0.505 111 L N -0.128 120.798 121.223 -0.495 0.000 2.577 111 L HA 0.408 4.747 4.340 -0.000 0.000 0.225 111 L C 2.278 178.941 176.870 -0.345 0.000 1.053 111 L CA 0.631 55.181 54.840 -0.483 0.000 0.866 111 L CB -0.303 41.261 42.059 -0.825 0.000 1.132 111 L HN 0.265 nan 8.230 nan 0.000 0.486 112 A N 0.489 123.043 122.820 -0.444 0.000 1.909 112 A HA 0.112 4.432 4.320 -0.000 0.000 0.209 112 A C 2.076 179.631 177.584 -0.049 0.000 1.247 112 A CA 0.328 52.274 52.037 -0.150 0.000 0.660 112 A CB -0.361 18.413 19.000 -0.376 0.000 0.910 112 A HN 0.156 nan 8.150 nan 0.000 0.465 113 I N 0.457 120.959 120.570 -0.113 0.000 2.264 113 I HA -0.180 3.990 4.170 -0.000 0.000 0.248 113 I C -0.770 175.333 176.117 -0.023 0.000 1.111 113 I CA 1.368 62.645 61.300 -0.038 0.000 1.382 113 I CB -1.069 36.889 38.000 -0.070 0.000 1.060 113 I HN 0.212 nan 8.210 nan 0.000 0.418 114 P HA -0.082 nan 4.420 nan 0.000 0.225 114 P C 1.377 178.678 177.300 0.001 0.000 1.148 114 P CA 1.201 64.282 63.100 -0.030 0.000 0.779 114 P CB 0.093 31.762 31.700 -0.052 0.000 0.780 115 S N -1.591 114.123 115.700 0.022 0.000 2.535 115 S HA 0.175 4.645 4.470 -0.000 0.000 0.214 115 S C 0.756 175.392 174.600 0.060 0.000 0.980 115 S CA 0.139 58.368 58.200 0.049 0.000 0.907 115 S CB -0.172 63.076 63.200 0.081 0.000 0.790 115 S HN 0.042 nan 8.310 nan 0.000 0.510 116 L N 0.059 121.318 121.223 0.061 0.000 2.304 116 L HA 0.711 5.051 4.340 -0.000 0.000 0.268 116 L C 0.131 177.028 176.870 0.045 0.000 1.010 116 L CA -0.508 54.373 54.840 0.067 0.000 0.813 116 L CB 1.858 43.978 42.059 0.103 0.000 1.315 116 L HN -0.078 nan 8.230 nan 0.000 0.445 117 T N -1.096 113.484 114.554 0.044 0.000 2.802 117 T HA 0.583 4.933 4.350 -0.000 0.000 0.311 117 T C -0.089 174.632 174.700 0.034 0.000 1.405 117 T CA 0.493 62.612 62.100 0.032 0.000 1.016 117 T CB 1.403 70.286 68.868 0.025 0.000 1.352 117 T HN 1.130 nan 8.240 nan 0.000 0.498 118 G N 1.852 110.669 108.800 0.028 0.000 2.574 118 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.286 118 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.286 118 G C 1.330 176.251 174.900 0.036 0.000 1.212 118 G CA 1.092 46.209 45.100 0.028 0.000 0.979 118 G HN 1.734 nan 8.290 nan 0.000 0.557 119 A N -1.614 121.229 122.820 0.038 0.000 1.873 119 A HA -0.056 4.264 4.320 -0.000 0.000 0.218 119 A C 2.679 180.299 177.584 0.060 0.000 1.193 119 A CA 3.686 55.751 52.037 0.047 0.000 0.629 119 A CB -0.465 18.560 19.000 0.043 0.000 0.826 119 A HN 0.780 nan 8.150 nan 0.000 0.447 120 M N -0.472 119.163 119.600 0.059 0.000 2.106 120 M HA -0.208 4.272 4.480 -0.000 0.000 0.259 120 M C 2.506 178.861 176.300 0.091 0.000 1.068 120 M CA 1.812 57.157 55.300 0.074 0.000 1.100 120 M CB -1.600 31.040 32.600 0.068 0.000 1.351 120 M HN 0.524 nan 8.290 nan 0.000 0.404 121 A N -0.679 122.187 122.820 0.075 0.000 1.933 121 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 121 A C 2.330 179.951 177.584 0.062 0.000 1.175 121 A CA 2.219 54.298 52.037 0.070 0.000 0.628 121 A CB -1.015 18.012 19.000 0.044 0.000 0.814 121 A HN 0.493 nan 8.150 nan 0.000 0.444 122 T N -0.110 114.479 114.554 0.058 0.000 2.812 122 T HA 0.093 4.443 4.350 -0.000 0.000 0.264 122 T C 2.240 176.987 174.700 0.078 0.000 1.042 122 T CA 1.309 63.443 62.100 0.056 0.000 1.140 122 T CB -0.341 68.557 68.868 0.051 0.000 0.870 122 T HN 0.569 nan 8.240 nan 0.000 0.445 123 A N 1.552 124.431 122.820 0.098 0.000 1.877 123 A HA 0.161 4.481 4.320 -0.000 0.000 0.216 123 A C 2.645 180.270 177.584 0.068 0.000 1.186 123 A CA 1.818 53.936 52.037 0.135 0.000 0.620 123 A CB -1.157 17.938 19.000 0.158 0.000 0.822 123 A HN 0.486 nan 8.150 nan 0.000 0.443 124 A N 0.003 122.880 122.820 0.095 0.000 1.917 124 A HA 0.064 4.384 4.320 -0.000 0.000 0.219 124 A C 2.500 180.141 177.584 0.096 0.000 1.182 124 A CA 2.342 54.491 52.037 0.186 0.000 0.633 124 A CB -1.082 18.115 19.000 0.328 0.000 0.819 124 A HN 1.163 nan 8.150 nan 0.000 0.448 125 A N -0.369 122.481 122.820 0.050 0.000 1.978 125 A HA 0.138 4.458 4.320 -0.000 0.000 0.220 125 A C 2.432 180.021 177.584 0.009 0.000 1.170 125 A CA 2.068 54.110 52.037 0.008 0.000 0.636 125 A CB -0.852 18.152 19.000 0.007 0.000 0.810 125 A HN 1.106 nan 8.150 nan 0.000 0.448 126 A N -0.669 122.174 122.820 0.039 0.000 1.968 126 A HA 0.098 4.418 4.320 -0.000 0.000 0.217 126 A C 2.125 179.733 177.584 0.039 0.000 1.169 126 A CA 1.451 53.543 52.037 0.093 0.000 0.638 126 A CB -0.677 18.473 19.000 0.250 0.000 0.812 126 A HN 0.368 nan 8.150 nan 0.000 0.446 127 V N -0.065 119.728 119.914 -0.202 0.000 2.490 127 V HA -0.235 3.885 4.120 -0.000 0.000 0.250 127 V C 2.930 179.062 176.094 0.064 0.000 1.061 127 V CA 1.722 63.814 62.300 -0.347 0.000 1.064 127 V CB -1.125 30.428 31.823 -0.450 0.000 0.670 127 V HN 0.583 nan 8.190 nan 0.000 0.461 128 A N -0.553 122.308 122.820 0.069 0.000 2.121 128 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 128 A C 2.177 179.791 177.584 0.049 0.000 1.154 128 A CA 1.373 53.467 52.037 0.096 0.000 0.679 128 A CB -0.336 18.625 19.000 -0.066 0.000 0.795 128 A HN 0.565 nan 8.150 nan 0.000 0.458 129 K N -0.505 119.892 120.400 -0.004 0.000 2.393 129 K HA 0.180 4.500 4.320 -0.000 0.000 0.193 129 K C -0.376 176.163 176.600 -0.101 0.000 1.026 129 K CA -0.084 56.159 56.287 -0.073 0.000 1.064 129 K CB 0.450 32.917 32.500 -0.054 0.000 0.833 129 K HN 0.264 nan 8.250 nan 0.000 0.521 130 V N 4.958 124.818 119.914 -0.090 0.000 2.455 130 V HA 0.087 4.207 4.120 -0.000 0.000 0.273 130 V C -2.048 173.910 176.094 -0.228 0.000 1.045 130 V CA -1.785 60.359 62.300 -0.260 0.000 0.976 130 V CB 0.575 32.078 31.823 -0.533 0.000 0.993 130 V HN 0.116 nan 8.190 nan 0.000 0.475 131 P HA 0.198 nan 4.420 nan 0.000 0.271 131 P C -0.478 176.789 177.300 -0.055 0.000 1.220 131 P CA 0.093 63.104 63.100 -0.149 0.000 0.768 131 P CB 1.103 32.735 31.700 -0.113 0.000 0.848 132 S N 2.348 118.054 115.700 0.009 0.000 2.704 132 S HA 0.652 5.122 4.470 -0.000 0.000 0.296 132 S C -0.584 174.116 174.600 0.167 0.000 1.138 132 S CA -0.749 57.574 58.200 0.205 0.000 0.875 132 S CB 0.756 64.028 63.200 0.120 0.000 1.151 132 S HN 0.134 nan 8.310 nan 0.000 0.500 133 F N 1.405 121.444 119.950 0.148 0.000 2.396 133 F HA 0.437 4.964 4.527 -0.000 0.000 0.343 133 F C 0.586 176.526 175.800 0.232 0.000 1.104 133 F CA -0.846 57.217 58.000 0.104 0.000 1.161 133 F CB 1.284 40.320 39.000 0.059 0.000 1.146 133 F HN 0.582 nan 8.300 nan 0.000 0.522 134 M N 4.351 124.071 119.600 0.199 0.000 2.108 134 M HA 0.291 4.771 4.480 -0.000 0.000 0.354 134 M C -1.650 174.925 176.300 0.460 0.000 1.229 134 M CA -0.379 55.113 55.300 0.320 0.000 1.081 134 M CB 0.558 33.290 32.600 0.221 0.000 1.606 134 M HN 0.520 nan 8.290 nan 0.000 0.467 135 W N 6.242 127.659 121.300 0.195 0.000 2.322 135 W HA 0.377 5.037 4.660 -0.000 0.000 0.307 135 W C -0.827 175.819 176.519 0.212 0.000 1.220 135 W CA -0.428 57.053 57.345 0.227 0.000 1.210 135 W CB 0.491 30.068 29.460 0.194 0.000 1.223 135 W HN 0.538 nan 8.180 nan 0.000 0.511 136 L N 5.235 126.718 121.223 0.433 0.000 2.657 136 L HA 0.110 4.450 4.340 -0.000 0.000 0.239 136 L C 1.192 178.315 176.870 0.421 0.000 1.215 136 L CA -0.255 54.801 54.840 0.361 0.000 1.161 136 L CB -0.120 42.116 42.059 0.294 0.000 1.436 136 L HN 0.482 nan 8.230 nan 0.000 0.414 137 D N -0.781 119.860 120.400 0.401 0.000 2.347 137 D HA -0.052 4.588 4.640 -0.000 0.000 0.215 137 D C 0.713 177.055 176.300 0.071 0.000 0.976 137 D CA 0.458 54.652 54.000 0.323 0.000 0.884 137 D CB 0.187 41.246 40.800 0.431 0.000 0.915 137 D HN 0.423 nan 8.370 nan 0.000 0.526 138 T N -3.628 110.984 114.554 0.096 0.000 2.864 138 T HA 0.355 4.705 4.350 -0.000 0.000 0.299 138 T C 0.543 175.316 174.700 0.121 0.000 1.166 138 T CA -0.906 61.189 62.100 -0.007 0.000 1.007 138 T CB 1.570 70.435 68.868 -0.005 0.000 1.219 138 T HN -0.112 nan 8.240 nan 0.000 0.506 139 L N 0.679 121.964 121.223 0.102 0.000 2.201 139 L HA 0.166 4.506 4.340 -0.000 0.000 0.212 139 L C 1.740 178.702 176.870 0.153 0.000 1.105 139 L CA 1.890 56.877 54.840 0.244 0.000 0.775 139 L CB -0.991 41.223 42.059 0.259 0.000 0.913 139 L HN 0.799 nan 8.230 nan 0.000 0.440 140 D N -0.758 119.702 120.400 0.099 0.000 2.264 140 D HA -0.125 4.515 4.640 -0.000 0.000 0.208 140 D C 1.942 178.293 176.300 0.084 0.000 0.966 140 D CA 0.629 54.678 54.000 0.081 0.000 0.864 140 D CB 0.119 40.958 40.800 0.064 0.000 0.933 140 D HN 0.140 nan 8.370 nan 0.000 0.499 141 K N -0.200 120.261 120.400 0.102 0.000 2.296 141 K HA -0.002 4.317 4.320 -0.000 0.000 0.200 141 K C 2.008 178.649 176.600 0.068 0.000 1.048 141 K CA 0.742 57.083 56.287 0.089 0.000 0.966 141 K CB -0.450 32.118 32.500 0.115 0.000 0.754 141 K HN 0.333 nan 8.250 nan 0.000 0.466 142 T N -0.596 114.002 114.554 0.073 0.000 2.737 142 T HA -0.109 4.241 4.350 -0.000 0.000 0.269 142 T C -1.098 173.582 174.700 -0.033 0.000 1.040 142 T CA 0.777 62.875 62.100 -0.003 0.000 1.142 142 T CB -1.339 67.516 68.868 -0.021 0.000 0.861 142 T HN 0.038 nan 8.240 nan 0.000 0.456 143 P HA 0.077 nan 4.420 nan 0.000 0.219 143 P C 1.653 178.952 177.300 -0.001 0.000 1.146 143 P CA 0.598 63.698 63.100 0.001 0.000 0.808 143 P CB -0.242 31.474 31.700 0.027 0.000 0.779 144 L N -1.571 119.663 121.223 0.018 0.000 2.217 144 L HA -0.087 4.253 4.340 -0.000 0.000 0.211 144 L C 2.346 179.236 176.870 0.032 0.000 1.107 144 L CA 1.043 55.910 54.840 0.044 0.000 0.783 144 L CB -0.381 41.709 42.059 0.052 0.000 0.919 144 L HN 0.049 nan 8.230 nan 0.000 0.442 145 M N -0.540 119.022 119.600 -0.064 0.000 2.132 145 M HA -0.252 4.228 4.480 -0.000 0.000 0.263 145 M C 2.071 178.207 176.300 -0.274 0.000 1.065 145 M CA 1.839 56.986 55.300 -0.255 0.000 1.122 145 M CB -0.112 32.137 32.600 -0.585 0.000 1.365 145 M HN 0.195 nan 8.290 nan 0.000 0.411 146 E N -0.073 119.994 120.200 -0.221 0.000 2.072 146 E HA -0.283 4.067 4.350 -0.000 0.000 0.191 146 E C 2.055 178.507 176.600 -0.246 0.000 0.985 146 E CA 1.442 57.684 56.400 -0.263 0.000 0.801 146 E CB -0.199 29.444 29.700 -0.095 0.000 0.750 146 E HN 0.707 nan 8.360 nan 0.000 0.452 147 Q N -0.086 119.657 119.800 -0.095 0.000 2.124 147 Q HA -0.152 4.188 4.340 -0.000 0.000 0.202 147 Q C 1.853 177.822 176.000 -0.053 0.000 0.977 147 Q CA 1.986 57.765 55.803 -0.041 0.000 0.850 147 Q CB 0.007 28.764 28.738 0.031 0.000 0.901 147 Q HN 0.220 nan 8.270 nan 0.000 0.429 148 T N 1.427 115.978 114.554 -0.005 0.000 2.737 148 T HA -0.099 4.251 4.350 -0.000 0.000 0.265 148 T C 1.818 176.403 174.700 -0.191 0.000 1.038 148 T CA 1.228 63.355 62.100 0.045 0.000 1.144 148 T CB -0.190 68.850 68.868 0.287 0.000 0.866 148 T HN 0.253 nan 8.240 nan 0.000 0.434 149 L N 0.729 121.786 121.223 -0.276 0.000 2.131 149 L HA -0.066 4.274 4.340 -0.000 0.000 0.210 149 L C 2.964 179.473 176.870 -0.602 0.000 1.092 149 L CA 0.991 55.514 54.840 -0.527 0.000 0.759 149 L CB -0.595 40.939 42.059 -0.875 0.000 0.903 149 L HN 0.249 nan 8.230 nan 0.000 0.435 150 A N -0.240 122.279 122.820 -0.501 0.000 1.930 150 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 150 A C 1.904 179.401 177.584 -0.145 0.000 1.175 150 A CA 1.798 53.737 52.037 -0.164 0.000 0.627 150 A CB -0.401 18.576 19.000 -0.039 0.000 0.815 150 A HN 0.322 nan 8.150 nan 0.000 0.443 151 D N 0.090 120.358 120.400 -0.220 0.000 2.117 151 D HA -0.098 4.542 4.640 -0.000 0.000 0.198 151 D C 1.837 177.799 176.300 -0.563 0.000 0.982 151 D CA 1.061 54.910 54.000 -0.252 0.000 0.828 151 D CB -0.313 40.421 40.800 -0.111 0.000 0.967 151 D HN 0.526 nan 8.370 nan 0.000 0.464 152 I N 0.383 120.471 120.570 -0.803 0.000 2.252 152 I HA -0.235 3.935 4.170 -0.000 0.000 0.245 152 I C 2.560 178.485 176.117 -0.321 0.000 1.102 152 I CA 0.769 61.570 61.300 -0.832 0.000 1.385 152 I CB -0.124 37.473 38.000 -0.672 0.000 1.064 152 I HN -0.102 nan 8.210 nan 0.000 0.414 153 R N 0.585 120.986 120.500 -0.165 0.000 2.083 153 R HA -0.178 4.162 4.340 -0.000 0.000 0.237 153 R C 2.295 178.583 176.300 -0.021 0.000 1.137 153 R CA 2.284 58.377 56.100 -0.011 0.000 0.951 153 R CB -0.404 29.975 30.300 0.132 0.000 0.851 153 R HN 0.245 nan 8.270 nan 0.000 0.434 154 T N 0.137 114.666 114.554 -0.042 0.000 2.746 154 T HA -0.120 4.230 4.350 -0.000 0.000 0.267 154 T C 1.754 176.461 174.700 0.011 0.000 1.039 154 T CA 1.349 63.444 62.100 -0.008 0.000 1.142 154 T CB -0.346 68.520 68.868 -0.003 0.000 0.866 154 T HN 0.473 nan 8.240 nan 0.000 0.444 155 A N 2.257 125.067 122.820 -0.018 0.000 1.902 155 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 155 A C 2.191 179.860 177.584 0.142 0.000 1.181 155 A CA 1.507 53.611 52.037 0.110 0.000 0.623 155 A CB -0.666 18.426 19.000 0.153 0.000 0.818 155 A HN 0.376 nan 8.150 nan 0.000 0.443 156 N N -0.193 118.558 118.700 0.085 0.000 2.289 156 N HA -0.142 4.598 4.740 -0.000 0.000 0.184 156 N C 1.517 177.049 175.510 0.037 0.000 1.016 156 N CA 1.479 54.567 53.050 0.063 0.000 0.872 156 N CB -0.317 38.188 38.487 0.030 0.000 0.973 156 N HN 0.701 nan 8.380 nan 0.000 0.433 157 K N 0.403 120.824 120.400 0.035 0.000 2.217 157 K HA 0.055 4.375 4.320 -0.000 0.000 0.202 157 K C -0.192 176.427 176.600 0.032 0.000 1.051 157 K CA 0.755 57.058 56.287 0.026 0.000 0.952 157 K CB 0.204 32.717 32.500 0.022 0.000 0.736 157 K HN 0.083 nan 8.250 nan 0.000 0.453 158 N N 0.476 119.207 118.700 0.051 0.000 3.131 158 N HA 0.107 4.847 4.740 -0.000 0.000 0.312 158 N C 0.052 175.596 175.510 0.057 0.000 1.433 158 N CA 0.631 53.714 53.050 0.055 0.000 1.141 158 N CB 1.068 39.598 38.487 0.071 0.000 1.431 158 N HN 0.416 nan 8.380 nan 0.000 0.523 159 G N -0.174 108.644 108.800 0.031 0.000 2.245 159 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.264 159 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.264 159 G C 0.618 175.509 174.900 -0.014 0.000 0.985 159 G CA 0.074 45.179 45.100 0.010 0.000 0.625 159 G HN 0.643 nan 8.290 nan 0.000 0.536 160 G N -0.107 108.714 108.800 0.035 0.000 2.414 160 G HA2 0.370 4.330 3.960 -0.000 0.000 0.236 160 G HA3 0.370 4.330 3.960 -0.000 0.000 0.236 160 G C 0.222 175.052 174.900 -0.116 0.000 1.293 160 G CA 0.692 45.796 45.100 0.008 0.000 0.869 160 G HN 0.823 nan 8.290 nan 0.000 0.556 161 N N 0.292 118.780 118.700 -0.354 0.000 2.628 161 N HA 0.171 4.911 4.740 -0.000 0.000 0.299 161 N C -1.192 174.160 175.510 -0.262 0.000 1.834 161 N CA -0.513 52.399 53.050 -0.229 0.000 0.871 161 N CB 0.144 38.511 38.487 -0.199 0.000 1.377 161 N HN 0.420 nan 8.380 nan 0.000 0.493 162 Y N 0.379 120.701 120.300 0.037 0.000 2.354 162 Y HA 0.721 5.271 4.550 -0.000 0.000 0.322 162 Y C 0.676 176.565 175.900 -0.020 0.000 1.253 162 Y CA -0.825 57.312 58.100 0.061 0.000 1.272 162 Y CB 1.360 39.934 38.460 0.191 0.000 1.255 162 Y HN 0.151 nan 8.280 nan 0.000 0.500 163 A N 0.596 123.516 122.820 0.165 0.000 2.386 163 A HA 0.738 5.058 4.320 -0.000 0.000 0.311 163 A C -0.095 177.466 177.584 -0.039 0.000 1.068 163 A CA -0.366 51.672 52.037 0.003 0.000 0.743 163 A CB 0.739 19.680 19.000 -0.099 0.000 1.258 163 A HN 0.882 nan 8.150 nan 0.000 0.429 164 G N 0.144 108.889 108.800 -0.091 0.000 2.476 164 G HA2 0.532 4.492 3.960 -0.000 0.000 0.269 164 G HA3 0.532 4.492 3.960 -0.000 0.000 0.269 164 G C -0.584 174.014 174.900 -0.504 0.000 1.195 164 G CA -0.296 44.657 45.100 -0.244 0.000 0.843 164 G HN 0.724 nan 8.290 nan 0.000 0.545 165 Q N 0.338 119.515 119.800 -1.038 0.000 2.290 165 Q HA 0.488 4.828 4.340 -0.000 0.000 0.269 165 Q C -1.561 173.694 176.000 -1.242 0.000 1.016 165 Q CA -0.279 54.802 55.803 -1.203 0.000 0.754 165 Q CB 2.239 29.979 28.738 -1.664 0.000 1.247 165 Q HN 0.495 nan 8.270 nan 0.000 0.451 166 F N 0.116 120.006 119.950 -0.099 0.000 2.599 166 F HA 0.587 5.114 4.527 0.000 0.000 0.311 166 F C -0.335 175.597 175.800 0.220 0.000 1.076 166 F CA -1.193 56.865 58.000 0.096 0.000 0.937 166 F CB 1.499 40.522 39.000 0.037 0.000 1.282 166 F HN 0.097 nan 8.300 nan 0.000 0.460 167 V N 2.635 122.693 119.914 0.239 0.000 2.417 167 V HA 0.419 4.539 4.120 -0.000 0.000 0.291 167 V C -0.525 175.625 176.094 0.095 0.000 1.024 167 V CA -0.910 61.346 62.300 -0.074 0.000 0.861 167 V CB 1.567 32.846 31.823 -0.907 0.000 0.985 167 V HN 0.535 nan 8.190 nan 0.000 0.436 168 V N 5.783 125.787 119.914 0.150 0.000 2.389 168 V HA 0.279 4.399 4.120 -0.000 0.000 0.264 168 V C -0.615 175.704 176.094 0.375 0.000 1.049 168 V CA -0.244 62.238 62.300 0.304 0.000 0.932 168 V CB 0.386 32.374 31.823 0.275 0.000 1.011 168 V HN 0.819 nan 8.190 nan 0.000 0.475 169 Y N 4.266 124.726 120.300 0.267 0.000 2.520 169 Y HA 0.490 5.040 4.550 0.000 0.000 0.339 169 Y C -0.283 175.697 175.900 0.133 0.000 1.113 169 Y CA -1.043 57.169 58.100 0.187 0.000 1.255 169 Y CB 0.980 39.566 38.460 0.210 0.000 1.099 169 Y HN 0.661 nan 8.280 nan 0.000 0.628 170 D N 2.968 123.346 120.400 -0.037 0.000 2.881 170 D HA 0.184 4.824 4.640 -0.000 0.000 0.325 170 D C -0.570 175.750 176.300 0.033 0.000 1.621 170 D CA 0.108 53.954 54.000 -0.257 0.000 0.785 170 D CB 0.185 40.540 40.800 -0.743 0.000 1.233 170 D HN 0.456 nan 8.370 nan 0.000 0.447 171 L N 1.852 123.024 121.223 -0.084 0.000 2.506 171 L HA 0.221 4.561 4.340 -0.000 0.000 0.281 171 L C -1.662 175.155 176.870 -0.088 0.000 1.228 171 L CA -0.908 53.739 54.840 -0.321 0.000 0.850 171 L CB 0.302 42.025 42.059 -0.560 0.000 1.110 171 L HN 0.033 nan 8.230 nan 0.000 0.496 172 P HA 0.021 nan 4.420 nan 0.000 0.271 172 P C -0.677 176.705 177.300 0.136 0.000 1.218 172 P CA -0.098 63.069 63.100 0.111 0.000 0.780 172 P CB 0.657 32.410 31.700 0.087 0.000 0.901 173 D N -1.126 119.347 120.400 0.121 0.000 2.708 173 D HA -0.187 4.453 4.640 -0.000 0.000 0.236 173 D C 0.481 176.904 176.300 0.205 0.000 1.146 173 D CA 0.937 55.017 54.000 0.132 0.000 0.662 173 D CB -1.218 39.651 40.800 0.115 0.000 1.059 173 D HN 0.460 nan 8.370 nan 0.000 0.428 174 R N 0.910 121.461 120.500 0.086 0.000 2.698 174 R HA 0.051 4.391 4.340 -0.000 0.000 0.266 174 R C 0.164 176.523 176.300 0.097 0.000 1.026 174 R CA 0.431 56.543 56.100 0.019 0.000 1.102 174 R CB 0.426 30.624 30.300 -0.171 0.000 0.978 174 R HN 0.168 nan 8.270 nan 0.000 0.436 175 D N 2.157 122.647 120.400 0.150 0.000 2.697 175 D HA -0.203 4.437 4.640 -0.000 0.000 0.238 175 D C 1.306 177.682 176.300 0.127 0.000 1.152 175 D CA 0.949 55.035 54.000 0.143 0.000 0.666 175 D CB -1.678 39.162 40.800 0.066 0.000 1.037 175 D HN 0.788 nan 8.370 nan 0.000 0.423 176 c N -1.067 117.656 118.600 0.206 0.000 2.398 176 c HA 0.012 4.582 4.570 -0.000 0.000 0.282 176 c C 2.639 176.755 174.090 0.043 0.000 1.275 176 c CA 1.029 57.414 56.329 0.094 0.000 1.797 176 c CB -0.927 41.584 42.510 0.002 0.000 1.991 176 c HN 0.616 nan 8.230 nan 0.000 0.505 177 A N 1.000 123.851 122.820 0.051 0.000 2.072 177 A HA 0.575 4.895 4.320 -0.000 0.000 0.216 177 A C 1.568 179.137 177.584 -0.024 0.000 1.156 177 A CA 0.844 52.886 52.037 0.008 0.000 0.701 177 A CB -0.805 18.196 19.000 0.001 0.000 0.816 177 A HN 1.010 nan 8.150 nan 0.000 0.458 178 A N -0.644 122.154 122.820 -0.038 0.000 2.407 178 A HA 0.433 4.753 4.320 -0.000 0.000 0.248 178 A C 1.052 178.638 177.584 0.004 0.000 1.082 178 A CA -0.170 51.839 52.037 -0.047 0.000 0.785 178 A CB 0.104 19.053 19.000 -0.084 0.000 1.020 178 A HN 0.585 nan 8.150 nan 0.000 0.489 179 L N 1.670 122.911 121.223 0.030 0.000 2.093 179 L HA 0.219 4.559 4.340 -0.000 0.000 0.208 179 L C 1.093 177.984 176.870 0.036 0.000 1.085 179 L CA 2.359 57.221 54.840 0.038 0.000 0.755 179 L CB -0.457 41.633 42.059 0.053 0.000 0.904 179 L HN 0.834 nan 8.230 nan 0.000 0.435 180 A N -1.375 121.467 122.820 0.037 0.000 2.402 180 A HA 0.627 4.947 4.320 -0.000 0.000 0.291 180 A C -0.552 177.051 177.584 0.031 0.000 1.051 180 A CA -0.249 51.811 52.037 0.038 0.000 0.716 180 A CB 1.065 20.098 19.000 0.054 0.000 1.223 180 A HN 0.093 nan 8.150 nan 0.000 0.425 181 S N 1.043 116.757 115.700 0.023 0.000 2.651 181 S HA 0.386 4.856 4.470 -0.000 0.000 0.291 181 S C 0.445 175.052 174.600 0.012 0.000 1.141 181 S CA -0.659 57.550 58.200 0.015 0.000 1.027 181 S CB 0.665 63.871 63.200 0.009 0.000 1.043 181 S HN 0.633 nan 8.310 nan 0.000 0.530 182 N N 1.734 120.439 118.700 0.009 0.000 2.336 182 N HA 0.137 4.877 4.740 -0.000 0.000 0.189 182 N C 0.788 176.265 175.510 -0.054 0.000 1.113 182 N CA 0.162 53.212 53.050 0.001 0.000 0.858 182 N CB -0.149 38.359 38.487 0.034 0.000 0.970 182 N HN 0.722 nan 8.380 nan 0.000 0.471 183 G N 1.617 110.362 108.800 -0.091 0.000 2.287 183 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.235 183 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.235 183 G C 1.007 175.809 174.900 -0.163 0.000 1.258 183 G CA -0.129 44.870 45.100 -0.167 0.000 0.884 183 G HN 0.398 nan 8.290 nan 0.000 0.518 184 E N 1.059 121.081 120.200 -0.297 0.000 2.371 184 E HA -0.014 4.336 4.350 -0.000 0.000 0.194 184 E C -0.546 175.865 176.600 -0.316 0.000 1.012 184 E CA 0.274 56.460 56.400 -0.355 0.000 0.860 184 E CB 0.072 29.449 29.700 -0.538 0.000 0.811 184 E HN 0.479 nan 8.360 nan 0.000 0.502 185 Y N 1.179 121.453 120.300 -0.043 0.000 2.387 185 Y HA 0.435 4.986 4.550 0.000 0.000 0.336 185 Y C -0.059 175.837 175.900 -0.008 0.000 1.067 185 Y CA -1.749 56.340 58.100 -0.019 0.000 1.114 185 Y CB 2.060 40.513 38.460 -0.011 0.000 1.208 185 Y HN -0.108 nan 8.280 nan 0.000 0.458 186 S N 3.049 118.862 115.700 0.188 0.000 2.473 186 S HA 0.466 4.936 4.470 -0.000 0.000 0.307 186 S C 0.902 175.548 174.600 0.077 0.000 1.094 186 S CA -0.631 57.630 58.200 0.102 0.000 1.070 186 S CB 0.426 63.669 63.200 0.071 0.000 1.019 186 S HN 0.683 nan 8.310 nan 0.000 0.480 187 I N 3.934 124.538 120.570 0.058 0.000 2.151 187 I HA -0.192 3.978 4.170 -0.000 0.000 0.243 187 I C 2.717 178.844 176.117 0.018 0.000 1.080 187 I CA 1.748 63.067 61.300 0.032 0.000 1.339 187 I CB -0.563 37.450 38.000 0.022 0.000 1.039 187 I HN 0.822 nan 8.210 nan 0.000 0.409 188 A N -0.522 122.310 122.820 0.019 0.000 2.125 188 A HA -0.227 4.093 4.320 -0.000 0.000 0.219 188 A C 1.276 178.870 177.584 0.015 0.000 1.156 188 A CA 1.658 53.703 52.037 0.012 0.000 0.671 188 A CB -0.465 18.543 19.000 0.012 0.000 0.794 188 A HN 0.439 nan 8.150 nan 0.000 0.459 189 D N -1.346 119.069 120.400 0.026 0.000 3.068 189 D HA 0.401 5.041 4.640 -0.000 0.000 0.327 189 D C 0.901 177.212 176.300 0.017 0.000 1.361 189 D CA 0.425 54.442 54.000 0.028 0.000 0.877 189 D CB -0.696 40.132 40.800 0.046 0.000 1.088 189 D HN 0.392 nan 8.370 nan 0.000 0.489 190 G N 0.402 109.201 108.800 -0.003 0.000 2.225 190 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.267 190 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.267 190 G C 1.220 176.085 174.900 -0.059 0.000 1.024 190 G CA 0.348 45.431 45.100 -0.030 0.000 0.784 190 G HN 0.579 nan 8.290 nan 0.000 0.507 191 G N -0.599 108.185 108.800 -0.027 0.000 2.440 191 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.218 191 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.218 191 G C 1.786 176.644 174.900 -0.070 0.000 1.154 191 G CA 1.859 46.939 45.100 -0.033 0.000 0.767 191 G HN 0.884 nan 8.290 nan 0.000 0.552 192 V N 1.420 121.310 119.914 -0.041 0.000 2.358 192 V HA -0.097 4.023 4.120 -0.000 0.000 0.246 192 V C 3.312 179.364 176.094 -0.070 0.000 1.047 192 V CA 1.973 64.255 62.300 -0.030 0.000 1.035 192 V CB -0.797 31.006 31.823 -0.033 0.000 0.658 192 V HN 0.482 nan 8.190 nan 0.000 0.452 193 A N -0.197 122.559 122.820 -0.106 0.000 1.902 193 A HA -0.236 4.084 4.320 -0.000 0.000 0.217 193 A C 2.281 179.758 177.584 -0.178 0.000 1.181 193 A CA 1.954 53.910 52.037 -0.136 0.000 0.623 193 A CB -0.422 18.515 19.000 -0.105 0.000 0.818 193 A HN 0.545 nan 8.150 nan 0.000 0.443 194 K N -1.900 118.343 120.400 -0.262 0.000 2.097 194 K HA -0.136 4.184 4.320 -0.000 0.000 0.205 194 K C 1.929 178.245 176.600 -0.472 0.000 1.050 194 K CA 1.527 57.526 56.287 -0.479 0.000 0.938 194 K CB -0.326 31.631 32.500 -0.905 0.000 0.718 194 K HN 0.604 nan 8.250 nan 0.000 0.442 195 Y N 2.277 122.332 120.300 -0.409 0.000 2.145 195 Y HA -0.208 4.342 4.550 -0.000 0.000 0.286 195 Y C 1.758 177.681 175.900 0.040 0.000 1.145 195 Y CA 1.568 59.592 58.100 -0.128 0.000 1.148 195 Y CB 0.107 38.536 38.460 -0.051 0.000 0.981 195 Y HN -0.113 nan 8.280 nan 0.000 0.507 196 K N -0.192 120.154 120.400 -0.089 0.000 2.097 196 K HA -0.234 4.086 4.320 -0.000 0.000 0.206 196 K C 1.929 178.487 176.600 -0.070 0.000 1.049 196 K CA 1.540 57.679 56.287 -0.247 0.000 0.933 196 K CB -0.361 31.739 32.500 -0.667 0.000 0.717 196 K HN 0.315 nan 8.250 nan 0.000 0.442 197 N N 0.658 119.305 118.700 -0.087 0.000 2.166 197 N HA -0.232 4.508 4.740 -0.000 0.000 0.186 197 N C 1.748 177.266 175.510 0.012 0.000 1.019 197 N CA 1.153 54.185 53.050 -0.030 0.000 0.856 197 N CB -0.214 38.245 38.487 -0.046 0.000 0.993 197 N HN 0.255 nan 8.380 nan 0.000 0.426 198 Y N 0.584 120.795 120.300 -0.148 0.000 2.145 198 Y HA -0.079 4.471 4.550 -0.000 0.000 0.286 198 Y C 1.861 177.668 175.900 -0.154 0.000 1.145 198 Y CA 1.418 59.443 58.100 -0.125 0.000 1.148 198 Y CB -0.271 38.107 38.460 -0.135 0.000 0.981 198 Y HN 0.065 nan 8.280 nan 0.000 0.507 199 I N 0.744 121.151 120.570 -0.272 0.000 2.394 199 I HA -0.248 3.922 4.170 -0.000 0.000 0.251 199 I C 1.723 177.749 176.117 -0.151 0.000 1.136 199 I CA 1.404 62.540 61.300 -0.274 0.000 1.425 199 I CB -1.282 36.716 38.000 -0.003 0.000 1.079 199 I HN 0.306 nan 8.210 nan 0.000 0.425 200 D N 0.465 120.847 120.400 -0.030 0.000 2.144 200 D HA -0.138 4.502 4.640 -0.000 0.000 0.199 200 D C 2.172 178.426 176.300 -0.077 0.000 0.984 200 D CA 1.404 55.394 54.000 -0.017 0.000 0.834 200 D CB -0.234 40.586 40.800 0.034 0.000 0.955 200 D HN 0.226 nan 8.370 nan 0.000 0.465 201 T N 0.865 115.354 114.554 -0.108 0.000 2.746 201 T HA -0.043 4.307 4.350 -0.000 0.000 0.267 201 T C 2.170 176.774 174.700 -0.160 0.000 1.039 201 T CA 0.491 62.525 62.100 -0.110 0.000 1.142 201 T CB -0.113 68.699 68.868 -0.094 0.000 0.866 201 T HN 0.151 nan 8.240 nan 0.000 0.444 202 I N 0.576 120.992 120.570 -0.255 0.000 2.252 202 I HA -0.135 4.035 4.170 -0.000 0.000 0.245 202 I C 2.802 178.809 176.117 -0.183 0.000 1.102 202 I CA 1.160 62.299 61.300 -0.269 0.000 1.385 202 I CB -0.389 37.388 38.000 -0.372 0.000 1.064 202 I HN 0.130 nan 8.210 nan 0.000 0.414 203 R N 1.025 121.433 120.500 -0.155 0.000 2.092 203 R HA -0.191 4.149 4.340 -0.000 0.000 0.231 203 R C 2.244 178.494 176.300 -0.083 0.000 1.119 203 R CA 1.486 57.518 56.100 -0.114 0.000 0.970 203 R CB -0.117 30.114 30.300 -0.116 0.000 0.864 203 R HN 0.437 nan 8.270 nan 0.000 0.440 204 Q N 0.131 119.886 119.800 -0.076 0.000 2.124 204 Q HA -0.160 4.180 4.340 -0.000 0.000 0.202 204 Q C 2.180 178.161 176.000 -0.032 0.000 0.977 204 Q CA 1.679 57.452 55.803 -0.051 0.000 0.850 204 Q CB -0.056 28.656 28.738 -0.043 0.000 0.901 204 Q HN 0.439 nan 8.270 nan 0.000 0.429 205 I N -0.293 120.252 120.570 -0.043 0.000 2.202 205 I HA -0.250 3.920 4.170 -0.000 0.000 0.242 205 I C 2.176 178.326 176.117 0.056 0.000 1.091 205 I CA 0.832 62.136 61.300 0.006 0.000 1.368 205 I CB -0.230 37.714 38.000 -0.094 0.000 1.058 205 I HN 0.032 nan 8.210 nan 0.000 0.410 206 V N 0.412 120.312 119.914 -0.024 0.000 2.407 206 V HA -0.229 3.890 4.120 -0.000 0.000 0.248 206 V C 2.396 178.503 176.094 0.021 0.000 1.055 206 V CA 1.440 63.741 62.300 0.002 0.000 1.049 206 V CB -0.399 31.402 31.823 -0.037 0.000 0.662 206 V HN 0.250 nan 8.190 nan 0.000 0.455 207 V N -0.030 119.877 119.914 -0.012 0.000 2.358 207 V HA -0.220 3.900 4.120 -0.000 0.000 0.246 207 V C 2.527 178.592 176.094 -0.048 0.000 1.047 207 V CA 2.100 64.382 62.300 -0.030 0.000 1.035 207 V CB -0.520 31.277 31.823 -0.044 0.000 0.658 207 V HN 0.610 nan 8.190 nan 0.000 0.452 208 E N -0.010 120.159 120.200 -0.051 0.000 2.153 208 E HA -0.184 4.166 4.350 -0.000 0.000 0.194 208 E C 0.810 177.204 176.600 -0.343 0.000 0.988 208 E CA 1.339 57.637 56.400 -0.170 0.000 0.811 208 E CB -0.139 29.479 29.700 -0.137 0.000 0.746 208 E HN 0.731 nan 8.360 nan 0.000 0.466 209 Y N 0.093 120.360 120.300 -0.055 0.000 2.764 209 Y HA 0.314 4.864 4.550 -0.000 0.000 0.350 209 Y C 1.269 177.146 175.900 -0.038 0.000 0.982 209 Y CA -0.258 57.812 58.100 -0.049 0.000 1.431 209 Y CB 0.567 38.992 38.460 -0.058 0.000 1.326 209 Y HN -0.042 nan 8.280 nan 0.000 0.550 210 S N -0.070 115.640 115.700 0.017 0.000 2.442 210 S HA -0.177 4.293 4.470 -0.000 0.000 0.236 210 S C 1.701 176.317 174.600 0.026 0.000 1.007 210 S CA 1.495 59.704 58.200 0.016 0.000 0.965 210 S CB -0.110 63.080 63.200 -0.018 0.000 0.773 210 S HN 0.729 nan 8.310 nan 0.000 0.504 211 D N 0.845 121.257 120.400 0.021 0.000 2.371 211 D HA -0.036 4.604 4.640 -0.000 0.000 0.221 211 D C 0.342 176.670 176.300 0.046 0.000 0.986 211 D CA 0.370 54.384 54.000 0.023 0.000 0.899 211 D CB -0.130 40.673 40.800 0.005 0.000 0.902 211 D HN 0.355 nan 8.370 nan 0.000 0.530 212 I N 0.702 121.316 120.570 0.074 0.000 2.389 212 I HA 0.241 4.410 4.170 -0.000 0.000 0.288 212 I C 0.294 176.438 176.117 0.045 0.000 0.999 212 I CA -1.163 60.171 61.300 0.057 0.000 1.129 212 I CB 1.834 39.873 38.000 0.065 0.000 1.288 212 I HN -0.335 nan 8.210 nan 0.000 0.444 213 R N 3.778 124.287 120.500 0.016 0.000 2.421 213 R HA 0.213 4.553 4.340 -0.000 0.000 0.305 213 R C -0.756 175.528 176.300 -0.028 0.000 1.039 213 R CA 0.444 56.538 56.100 -0.011 0.000 1.003 213 R CB 0.461 30.717 30.300 -0.073 0.000 0.959 213 R HN 0.555 nan 8.270 nan 0.000 0.427 214 T N 6.349 120.904 114.554 0.003 0.000 2.791 214 T HA 0.332 4.682 4.350 -0.000 0.000 0.288 214 T C -0.412 174.299 174.700 0.017 0.000 0.999 214 T CA -0.636 61.494 62.100 0.050 0.000 0.952 214 T CB 0.640 69.582 68.868 0.123 0.000 0.938 214 T HN 0.369 nan 8.240 nan 0.000 0.444 215 L N 4.701 125.904 121.223 -0.033 0.000 2.264 215 L HA 0.599 4.939 4.340 -0.000 0.000 0.289 215 L C -0.484 176.531 176.870 0.241 0.000 1.044 215 L CA -0.737 54.113 54.840 0.017 0.000 0.807 215 L CB 0.595 42.540 42.059 -0.189 0.000 1.192 215 L HN 0.374 nan 8.230 nan 0.000 0.425 216 L N 3.914 125.339 121.223 0.335 0.000 2.362 216 L HA 0.624 4.964 4.340 -0.000 0.000 0.271 216 L C -0.520 176.564 176.870 0.356 0.000 1.002 216 L CA -0.931 54.131 54.840 0.370 0.000 0.818 216 L CB 2.665 44.869 42.059 0.241 0.000 1.298 216 L HN 0.227 nan 8.230 nan 0.000 0.420 217 V N 4.022 124.081 119.914 0.241 0.000 2.370 217 V HA 0.358 4.478 4.120 -0.000 0.000 0.283 217 V C 0.056 176.184 176.094 0.057 0.000 1.023 217 V CA -0.476 61.858 62.300 0.056 0.000 0.857 217 V CB 1.800 33.475 31.823 -0.246 0.000 0.985 217 V HN 0.397 nan 8.190 nan 0.000 0.443 218 I N 4.955 125.580 120.570 0.091 0.000 2.297 218 I HA 0.327 4.497 4.170 -0.000 0.000 0.291 218 I C 0.530 176.704 176.117 0.095 0.000 1.033 218 I CA -0.373 60.995 61.300 0.115 0.000 1.253 218 I CB 0.582 38.665 38.000 0.138 0.000 1.396 218 I HN 0.685 nan 8.210 nan 0.000 0.476 219 E N 4.522 124.797 120.200 0.125 0.000 2.452 219 E HA -0.189 4.161 4.350 -0.000 0.000 0.155 219 E C -2.337 174.327 176.600 0.106 0.000 1.746 219 E CA 0.088 56.577 56.400 0.148 0.000 0.636 219 E CB -1.079 28.672 29.700 0.084 0.000 1.069 219 E HN 0.398 nan 8.360 nan 0.000 0.335 220 P HA 0.032 nan 4.420 nan 0.000 0.269 220 P C 0.334 177.733 177.300 0.165 0.000 1.215 220 P CA 0.121 63.239 63.100 0.030 0.000 0.780 220 P CB 0.458 32.084 31.700 -0.124 0.000 0.898 221 D N -0.327 120.189 120.400 0.193 0.000 2.772 221 D HA -0.164 4.476 4.640 -0.000 0.000 0.233 221 D C 0.466 176.908 176.300 0.236 0.000 1.143 221 D CA 1.462 55.636 54.000 0.291 0.000 0.700 221 D CB -1.193 39.781 40.800 0.289 0.000 1.076 221 D HN 0.346 nan 8.370 nan 0.000 0.430 222 S N -1.737 114.037 115.700 0.123 0.000 3.414 222 S HA 0.226 4.696 4.470 -0.000 0.000 0.193 222 S C 2.031 176.734 174.600 0.171 0.000 0.825 222 S CA 0.081 58.306 58.200 0.041 0.000 0.837 222 S CB -0.530 62.527 63.200 -0.239 0.000 0.940 222 S HN 0.164 nan 8.310 nan 0.000 0.639 223 L N 2.242 123.532 121.223 0.110 0.000 2.127 223 L HA -0.036 4.304 4.340 -0.000 0.000 0.211 223 L C 3.135 179.964 176.870 -0.068 0.000 1.089 223 L CA 1.329 56.225 54.840 0.093 0.000 0.757 223 L CB -0.882 41.286 42.059 0.181 0.000 0.899 223 L HN 0.616 nan 8.230 nan 0.000 0.434 224 A N 0.275 122.969 122.820 -0.210 0.000 1.940 224 A HA -0.227 4.093 4.320 -0.000 0.000 0.219 224 A C 2.043 179.397 177.584 -0.382 0.000 1.176 224 A CA 1.836 53.462 52.037 -0.685 0.000 0.631 224 A CB -0.568 17.376 19.000 -1.759 0.000 0.814 224 A HN 0.491 nan 8.150 nan 0.000 0.446 225 N N 0.195 118.919 118.700 0.040 0.000 2.223 225 N HA -0.094 4.646 4.740 -0.000 0.000 0.185 225 N C 1.529 177.109 175.510 0.116 0.000 1.016 225 N CA 1.336 54.559 53.050 0.288 0.000 0.863 225 N CB -0.357 38.316 38.487 0.309 0.000 0.983 225 N HN 0.547 nan 8.380 nan 0.000 0.429 226 L N 0.521 121.762 121.223 0.030 0.000 2.362 226 L HA -0.037 4.303 4.340 -0.000 0.000 0.219 226 L C 1.982 178.820 176.870 -0.054 0.000 1.134 226 L CA 0.366 55.191 54.840 -0.026 0.000 0.807 226 L CB -0.158 41.877 42.059 -0.040 0.000 0.927 226 L HN -0.043 nan 8.230 nan 0.000 0.447 227 V N -0.829 119.042 119.914 -0.073 0.000 2.500 227 V HA -0.113 4.007 4.120 -0.000 0.000 0.243 227 V C 2.284 178.384 176.094 0.011 0.000 1.039 227 V CA 2.051 64.306 62.300 -0.075 0.000 1.053 227 V CB -0.106 31.629 31.823 -0.146 0.000 0.695 227 V HN 0.625 nan 8.190 nan 0.000 0.463 228 T N -4.047 110.570 114.554 0.105 0.000 2.975 228 T HA 0.142 4.492 4.350 -0.000 0.000 0.257 228 T C 0.868 175.629 174.700 0.103 0.000 1.003 228 T CA 0.003 62.182 62.100 0.131 0.000 0.932 228 T CB -0.020 68.998 68.868 0.249 0.000 1.087 228 T HN 0.332 nan 8.240 nan 0.000 0.512 229 N N 1.054 119.826 118.700 0.118 0.000 2.275 229 N HA 0.389 5.129 4.740 -0.000 0.000 0.236 229 N C 1.029 176.553 175.510 0.023 0.000 1.154 229 N CA -0.118 52.974 53.050 0.070 0.000 0.866 229 N CB 0.418 38.968 38.487 0.106 0.000 1.093 229 N HN 0.355 nan 8.380 nan 0.000 0.515 230 L N -0.268 120.959 121.223 0.005 0.000 2.456 230 L HA 0.036 4.376 4.340 -0.000 0.000 0.224 230 L C 2.067 178.924 176.870 -0.021 0.000 1.148 230 L CA 0.638 55.465 54.840 -0.022 0.000 0.825 230 L CB -0.260 41.782 42.059 -0.029 0.000 0.937 230 L HN 0.219 nan 8.230 nan 0.000 0.450 231 G N -0.830 107.963 108.800 -0.012 0.000 2.534 231 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.217 231 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.217 231 G C 0.693 175.584 174.900 -0.014 0.000 1.128 231 G CA 0.175 45.267 45.100 -0.013 0.000 0.784 231 G HN 0.232 nan 8.290 nan 0.000 0.542 232 T N 2.166 116.712 114.554 -0.014 0.000 2.728 232 T HA 0.335 4.685 4.350 -0.000 0.000 0.296 232 T C -1.473 173.210 174.700 -0.028 0.000 0.940 232 T CA -1.043 61.048 62.100 -0.015 0.000 1.013 232 T CB 2.100 70.962 68.868 -0.009 0.000 0.912 232 T HN -0.102 nan 8.240 nan 0.000 0.484 233 P HA -0.177 nan 4.420 nan 0.000 0.216 233 P C 1.579 178.851 177.300 -0.046 0.000 1.157 233 P CA 1.008 64.089 63.100 -0.032 0.000 0.880 233 P CB 0.249 31.936 31.700 -0.021 0.000 0.791 234 K N -0.833 119.543 120.400 -0.040 0.000 2.103 234 K HA -0.178 4.142 4.320 -0.000 0.000 0.207 234 K C 1.751 178.287 176.600 -0.107 0.000 1.048 234 K CA 1.702 57.957 56.287 -0.053 0.000 0.930 234 K CB -0.567 31.917 32.500 -0.027 0.000 0.716 234 K HN 0.143 nan 8.250 nan 0.000 0.444 235 c N -0.075 118.462 118.600 -0.105 0.000 2.466 235 c HA 0.086 4.656 4.570 -0.000 0.000 0.278 235 c C 2.822 176.798 174.090 -0.190 0.000 1.288 235 c CA 0.602 56.827 56.329 -0.174 0.000 1.722 235 c CB -0.696 41.762 42.510 -0.087 0.000 2.017 235 c HN 0.643 nan 8.230 nan 0.000 0.488 236 A N 1.408 124.159 122.820 -0.116 0.000 1.902 236 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 236 A C 1.792 179.309 177.584 -0.111 0.000 1.181 236 A CA 2.006 53.984 52.037 -0.098 0.000 0.623 236 A CB -0.869 18.094 19.000 -0.062 0.000 0.818 236 A HN 0.793 nan 8.150 nan 0.000 0.443 237 N N -0.371 118.265 118.700 -0.107 0.000 2.459 237 N HA 0.098 4.837 4.740 -0.000 0.000 0.181 237 N C 1.432 176.863 175.510 -0.132 0.000 1.046 237 N CA 0.628 53.621 53.050 -0.095 0.000 0.904 237 N CB -0.081 38.365 38.487 -0.067 0.000 0.964 237 N HN 0.508 nan 8.380 nan 0.000 0.444 238 A N 0.394 123.075 122.820 -0.232 0.000 2.267 238 A HA 0.007 4.327 4.320 -0.000 0.000 0.213 238 A C 1.955 179.285 177.584 -0.423 0.000 1.192 238 A CA -0.060 51.768 52.037 -0.348 0.000 0.851 238 A CB -0.069 18.588 19.000 -0.573 0.000 0.881 238 A HN 0.206 nan 8.150 nan 0.000 0.494 239 Q N 1.072 120.680 119.800 -0.319 0.000 2.029 239 Q HA -0.261 4.079 4.340 -0.000 0.000 0.209 239 Q C 2.250 178.211 176.000 -0.065 0.000 0.999 239 Q CA 2.998 58.683 55.803 -0.196 0.000 0.857 239 Q CB -0.235 28.430 28.738 -0.123 0.000 0.926 239 Q HN 0.744 nan 8.270 nan 0.000 0.415 240 S N -0.164 115.505 115.700 -0.052 0.000 2.382 240 S HA -0.135 4.335 4.470 -0.000 0.000 0.228 240 S C 2.069 176.679 174.600 0.017 0.000 1.027 240 S CA 1.072 59.265 58.200 -0.012 0.000 0.991 240 S CB -0.585 62.604 63.200 -0.019 0.000 0.823 240 S HN 0.523 nan 8.310 nan 0.000 0.469 241 A N 0.761 123.591 122.820 0.017 0.000 1.898 241 A HA 0.051 4.371 4.320 -0.000 0.000 0.216 241 A C 2.091 179.750 177.584 0.125 0.000 1.181 241 A CA 1.314 53.383 52.037 0.053 0.000 0.620 241 A CB -1.139 17.893 19.000 0.053 0.000 0.819 241 A HN 0.527 nan 8.150 nan 0.000 0.442 242 Y N 0.188 120.445 120.300 -0.073 0.000 2.128 242 Y HA -0.156 4.394 4.550 -0.000 0.000 0.284 242 Y C 2.243 178.112 175.900 -0.052 0.000 1.154 242 Y CA 1.091 59.143 58.100 -0.081 0.000 1.149 242 Y CB -0.761 37.671 38.460 -0.047 0.000 0.976 242 Y HN 0.199 nan 8.280 nan 0.000 0.505 243 L N -0.626 120.685 121.223 0.146 0.000 2.093 243 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 243 L C 2.463 179.375 176.870 0.069 0.000 1.085 243 L CA 1.501 56.392 54.840 0.086 0.000 0.755 243 L CB -0.481 41.611 42.059 0.056 0.000 0.904 243 L HN 0.208 nan 8.230 nan 0.000 0.435 244 E N -0.205 120.031 120.200 0.060 0.000 2.047 244 E HA -0.226 4.124 4.350 -0.000 0.000 0.191 244 E C 2.367 179.029 176.600 0.103 0.000 0.987 244 E CA 1.705 58.143 56.400 0.065 0.000 0.799 244 E CB 0.025 29.748 29.700 0.038 0.000 0.752 244 E HN 0.520 nan 8.360 nan 0.000 0.449 245 C N 0.516 119.850 119.300 0.057 0.000 2.432 245 C HA -0.112 4.348 4.460 -0.000 0.000 0.277 245 C C 2.602 177.711 174.990 0.199 0.000 1.249 245 C CA 0.448 59.514 59.018 0.081 0.000 1.725 245 C CB -0.862 26.652 27.740 -0.378 0.000 2.028 245 C HN 0.490 nan 8.230 nan 0.000 0.477 246 I N 1.426 122.045 120.570 0.082 0.000 2.286 246 I HA -0.196 3.974 4.170 -0.000 0.000 0.248 246 I C 2.595 178.802 176.117 0.149 0.000 1.115 246 I CA 1.379 62.755 61.300 0.127 0.000 1.392 246 I CB -0.669 37.379 38.000 0.080 0.000 1.065 246 I HN 0.518 nan 8.210 nan 0.000 0.418 247 N N 0.647 119.426 118.700 0.132 0.000 2.244 247 N HA -0.259 4.481 4.740 -0.000 0.000 0.183 247 N C 2.057 177.646 175.510 0.132 0.000 1.016 247 N CA 1.403 54.512 53.050 0.099 0.000 0.866 247 N CB -0.066 38.468 38.487 0.079 0.000 0.980 247 N HN 0.339 nan 8.380 nan 0.000 0.430 248 Y N 1.384 121.734 120.300 0.084 0.000 2.200 248 Y HA 0.008 4.558 4.550 0.000 0.000 0.290 248 Y C 2.480 178.433 175.900 0.088 0.000 1.137 248 Y CA 1.674 59.826 58.100 0.086 0.000 1.163 248 Y CB -0.578 37.960 38.460 0.131 0.000 0.988 248 Y HN 0.150 nan 8.280 nan 0.000 0.518 249 A N -0.753 122.211 122.820 0.240 0.000 1.877 249 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 249 A C 2.326 179.921 177.584 0.018 0.000 1.186 249 A CA 2.115 54.236 52.037 0.140 0.000 0.620 249 A CB -1.321 17.858 19.000 0.299 0.000 0.822 249 A HN 0.301 nan 8.150 nan 0.000 0.443 250 V N 0.670 120.606 119.914 0.037 0.000 2.427 250 V HA -0.217 3.902 4.120 -0.000 0.000 0.248 250 V C 2.951 179.005 176.094 -0.067 0.000 1.051 250 V CA 2.404 64.701 62.300 -0.004 0.000 1.048 250 V CB -1.254 30.572 31.823 0.005 0.000 0.666 250 V HN 0.855 nan 8.190 nan 0.000 0.456 251 T N -2.828 111.666 114.554 -0.100 0.000 2.896 251 T HA -0.149 4.201 4.350 -0.000 0.000 0.263 251 T C 1.770 176.362 174.700 -0.181 0.000 1.050 251 T CA 0.741 62.758 62.100 -0.138 0.000 1.140 251 T CB -0.197 68.591 68.868 -0.132 0.000 0.877 251 T HN 0.350 nan 8.240 nan 0.000 0.457 252 Q N 0.806 120.446 119.800 -0.268 0.000 2.245 252 Q HA 0.261 4.601 4.340 -0.000 0.000 0.201 252 Q C 1.976 177.869 176.000 -0.179 0.000 0.955 252 Q CA 0.682 56.306 55.803 -0.298 0.000 0.870 252 Q CB -0.136 28.292 28.738 -0.517 0.000 0.945 252 Q HN 0.551 nan 8.270 nan 0.000 0.461 253 L N 0.719 121.865 121.223 -0.129 0.000 2.700 253 L HA 0.161 4.501 4.340 -0.000 0.000 0.234 253 L C 0.588 177.429 176.870 -0.048 0.000 1.156 253 L CA -0.340 54.454 54.840 -0.076 0.000 0.946 253 L CB -0.031 42.000 42.059 -0.047 0.000 1.216 253 L HN -0.026 nan 8.230 nan 0.000 0.493 254 N N 2.005 120.665 118.700 -0.066 0.000 2.819 254 N HA 0.235 4.975 4.740 -0.000 0.000 0.284 254 N C -0.915 174.565 175.510 -0.049 0.000 1.196 254 N CA 0.331 53.349 53.050 -0.053 0.000 1.114 254 N CB -0.175 38.264 38.487 -0.079 0.000 1.437 254 N HN 0.209 nan 8.380 nan 0.000 0.518 255 L N 2.832 124.041 121.223 -0.024 0.000 2.341 255 L HA 0.503 4.843 4.340 -0.000 0.000 0.267 255 L C -1.306 175.564 176.870 -0.000 0.000 1.009 255 L CA -2.305 52.522 54.840 -0.021 0.000 0.819 255 L CB 2.078 44.126 42.059 -0.018 0.000 1.323 255 L HN 0.172 nan 8.230 nan 0.000 0.425 256 P HA -0.164 nan 4.420 nan 0.000 0.217 256 P C 0.590 177.919 177.300 0.048 0.000 1.148 256 P CA 1.230 64.307 63.100 -0.038 0.000 0.828 256 P CB 0.019 31.689 31.700 -0.049 0.000 0.783 257 N N -1.279 117.472 118.700 0.085 0.000 2.322 257 N HA 0.024 4.764 4.740 -0.000 0.000 0.194 257 N C -0.262 175.344 175.510 0.160 0.000 1.126 257 N CA 0.192 53.326 53.050 0.140 0.000 0.845 257 N CB -0.042 38.491 38.487 0.076 0.000 0.976 257 N HN 0.001 nan 8.380 nan 0.000 0.475 258 V N 0.530 120.552 119.914 0.180 0.000 2.667 258 V HA 0.788 4.908 4.120 -0.000 0.000 0.308 258 V C -0.304 175.907 176.094 0.194 0.000 1.048 258 V CA -1.082 61.299 62.300 0.136 0.000 0.928 258 V CB 1.552 33.422 31.823 0.077 0.000 1.004 258 V HN 0.353 nan 8.190 nan 0.000 0.444 259 A N 5.281 128.150 122.820 0.081 0.000 2.385 259 A HA 0.863 5.183 4.320 -0.000 0.000 0.290 259 A C -0.801 176.818 177.584 0.059 0.000 1.094 259 A CA -0.516 51.547 52.037 0.043 0.000 0.729 259 A CB 1.111 20.031 19.000 -0.133 0.000 1.194 259 A HN 0.773 nan 8.150 nan 0.000 0.442 260 M N 1.737 121.329 119.600 -0.013 0.000 2.436 260 M HA 0.526 5.006 4.480 -0.000 0.000 0.331 260 M C -1.619 174.610 176.300 -0.118 0.000 1.135 260 M CA -0.307 55.021 55.300 0.046 0.000 0.987 260 M CB 1.817 34.456 32.600 0.065 0.000 1.687 260 M HN 0.675 nan 8.290 nan 0.000 0.445 261 Y N 2.176 122.542 120.300 0.110 0.000 2.326 261 Y HA 0.434 4.984 4.550 -0.000 0.000 0.329 261 Y C -0.531 175.388 175.900 0.031 0.000 0.973 261 Y CA -0.589 57.550 58.100 0.065 0.000 1.162 261 Y CB 1.327 39.814 38.460 0.044 0.000 1.147 261 Y HN 0.528 nan 8.280 nan 0.000 0.456 262 L N 3.575 124.881 121.223 0.138 0.000 2.410 262 L HA 0.086 4.426 4.340 -0.000 0.000 0.273 262 L C 0.252 177.110 176.870 -0.020 0.000 1.152 262 L CA 0.004 54.894 54.840 0.082 0.000 0.855 262 L CB 0.539 42.669 42.059 0.118 0.000 1.129 262 L HN 0.702 nan 8.230 nan 0.000 0.463 263 D N 3.104 123.511 120.400 0.013 0.000 2.458 263 D HA 0.184 4.824 4.640 -0.000 0.000 0.243 263 D C 0.180 176.443 176.300 -0.061 0.000 1.146 263 D CA 0.317 54.311 54.000 -0.010 0.000 0.877 263 D CB 1.035 41.848 40.800 0.021 0.000 1.176 263 D HN 0.573 nan 8.370 nan 0.000 0.461 264 A N 3.559 126.333 122.820 -0.077 0.000 2.643 264 A HA 0.628 4.948 4.320 -0.000 0.000 0.295 264 A C 1.029 178.689 177.584 0.126 0.000 1.065 264 A CA 0.241 52.224 52.037 -0.090 0.000 0.986 264 A CB -0.318 18.442 19.000 -0.400 0.000 1.212 264 A HN 0.987 nan 8.150 nan 0.000 0.516 265 G N 0.751 109.579 108.800 0.046 0.000 2.582 265 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.288 265 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.288 265 G C -0.038 174.999 174.900 0.228 0.000 1.247 265 G CA 1.150 46.291 45.100 0.069 0.000 0.972 265 G HN 2.291 nan 8.290 nan 0.000 0.557 266 H N -3.904 115.190 119.070 0.040 0.000 2.960 266 H HA 0.791 5.347 4.556 -0.000 0.000 0.323 266 H C 1.201 176.216 175.328 -0.522 0.000 1.326 266 H CA 0.390 56.375 56.048 -0.106 0.000 1.124 266 H CB 0.830 30.644 29.762 0.086 0.000 1.853 266 H HN 1.365 nan 8.280 nan 0.000 0.536 267 A N 0.451 123.088 122.820 -0.305 0.000 1.927 267 A HA -0.142 4.178 4.320 -0.000 0.000 0.220 267 A C 2.259 179.537 177.584 -0.511 0.000 1.185 267 A CA 2.355 54.172 52.037 -0.367 0.000 0.639 267 A CB -1.724 17.361 19.000 0.142 0.000 0.820 267 A HN 0.968 nan 8.150 nan 0.000 0.451 268 G N -3.040 105.380 108.800 -0.633 0.000 2.598 268 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.215 268 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.215 268 G C 1.161 175.713 174.900 -0.579 0.000 1.131 268 G CA 0.882 45.005 45.100 -1.628 0.000 0.785 268 G HN 0.591 nan 8.290 nan 0.000 0.539 269 W N 0.334 121.099 121.300 -0.892 0.000 3.185 269 W HA 0.326 4.986 4.660 -0.000 0.000 0.269 269 W C 1.819 178.223 176.519 -0.192 0.000 0.966 269 W CA 0.477 57.511 57.345 -0.518 0.000 2.064 269 W CB -0.541 28.503 29.460 -0.693 0.000 1.203 269 W HN 0.047 nan 8.180 nan 0.000 0.555 270 L N 0.835 122.013 121.223 -0.075 0.000 2.567 270 L HA 0.233 4.573 4.340 -0.000 0.000 0.225 270 L C 2.277 179.137 176.870 -0.018 0.000 1.119 270 L CA 0.718 55.536 54.840 -0.035 0.000 0.871 270 L CB -1.038 41.009 42.059 -0.019 0.000 1.036 270 L HN 0.119 nan 8.230 nan 0.000 0.459 271 G N -0.274 108.330 108.800 -0.327 0.000 2.471 271 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.219 271 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.219 271 G C 0.122 175.033 174.900 0.018 0.000 1.125 271 G CA -0.385 44.602 45.100 -0.189 0.000 0.775 271 G HN 0.191 nan 8.290 nan 0.000 0.548 272 W N 0.840 122.130 121.300 -0.015 0.000 2.295 272 W HA 0.314 4.974 4.660 0.000 0.000 0.335 272 W C -1.187 175.376 176.519 0.073 0.000 1.351 272 W CA -1.777 55.598 57.345 0.051 0.000 1.273 272 W CB 0.263 29.744 29.460 0.034 0.000 1.214 272 W HN 0.028 nan 8.180 nan 0.000 0.563 273 P HA -0.355 nan 4.420 nan 0.000 0.217 273 P C 1.473 178.884 177.300 0.187 0.000 1.158 273 P CA 3.239 66.459 63.100 0.201 0.000 0.887 273 P CB -0.008 31.797 31.700 0.175 0.000 0.792 274 A N -1.163 121.779 122.820 0.203 0.000 2.070 274 A HA -0.183 4.137 4.320 -0.000 0.000 0.220 274 A C 1.940 179.596 177.584 0.119 0.000 1.159 274 A CA 1.707 53.826 52.037 0.137 0.000 0.656 274 A CB -1.020 18.044 19.000 0.106 0.000 0.800 274 A HN 0.172 nan 8.150 nan 0.000 0.453 275 N N -0.590 118.206 118.700 0.160 0.000 2.392 275 N HA -0.008 4.732 4.740 -0.000 0.000 0.177 275 N C 1.664 177.247 175.510 0.122 0.000 1.066 275 N CA 0.637 53.761 53.050 0.123 0.000 0.895 275 N CB -0.278 38.297 38.487 0.147 0.000 0.988 275 N HN 0.630 nan 8.380 nan 0.000 0.457 276 Q N 0.821 120.718 119.800 0.162 0.000 1.998 276 Q HA -0.216 4.124 4.340 -0.000 0.000 0.209 276 Q C 1.243 177.323 176.000 0.133 0.000 1.002 276 Q CA 1.993 57.901 55.803 0.175 0.000 0.858 276 Q CB -0.227 28.614 28.738 0.172 0.000 0.932 276 Q HN 0.295 nan 8.270 nan 0.000 0.416 277 D N -0.420 120.048 120.400 0.113 0.000 2.117 277 D HA -0.091 4.549 4.640 -0.000 0.000 0.197 277 D C -0.948 175.348 176.300 -0.007 0.000 0.987 277 D CA 0.951 55.015 54.000 0.106 0.000 0.829 277 D CB -0.612 40.270 40.800 0.137 0.000 0.961 277 D HN 0.097 nan 8.370 nan 0.000 0.460 278 P HA -0.094 nan 4.420 nan 0.000 0.216 278 P C 1.008 178.217 177.300 -0.151 0.000 1.150 278 P CA 1.948 64.999 63.100 -0.083 0.000 0.837 278 P CB -0.115 31.557 31.700 -0.048 0.000 0.786 279 A N 0.075 122.832 122.820 -0.105 0.000 1.858 279 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 279 A C 2.347 179.837 177.584 -0.156 0.000 1.190 279 A CA 2.169 54.086 52.037 -0.201 0.000 0.617 279 A CB -1.668 17.366 19.000 0.056 0.000 0.827 279 A HN 0.175 nan 8.150 nan 0.000 0.443 280 A N -0.820 122.034 122.820 0.057 0.000 1.908 280 A HA -0.261 4.058 4.320 -0.000 0.000 0.218 280 A C 2.169 179.729 177.584 -0.039 0.000 1.181 280 A CA 2.312 54.434 52.037 0.143 0.000 0.627 280 A CB -0.652 18.476 19.000 0.213 0.000 0.818 280 A HN 0.604 nan 8.150 nan 0.000 0.445 281 Q N -0.692 118.898 119.800 -0.350 0.000 2.061 281 Q HA -0.186 4.154 4.340 -0.000 0.000 0.204 281 Q C 1.881 177.764 176.000 -0.196 0.000 0.984 281 Q CA 2.031 57.536 55.803 -0.498 0.000 0.846 281 Q CB -0.447 28.016 28.738 -0.458 0.000 0.902 281 Q HN 0.565 nan 8.270 nan 0.000 0.421 282 L N -0.634 120.452 121.223 -0.230 0.000 2.005 282 L HA -0.048 4.292 4.340 -0.000 0.000 0.207 282 L C 1.837 178.648 176.870 -0.099 0.000 1.072 282 L CA 1.746 56.444 54.840 -0.236 0.000 0.744 282 L CB -0.783 41.013 42.059 -0.437 0.000 0.895 282 L HN 0.267 nan 8.230 nan 0.000 0.433 283 F N 0.325 120.345 119.950 0.118 0.000 2.134 283 F HA -0.098 4.429 4.527 -0.000 0.000 0.299 283 F C 2.594 178.633 175.800 0.398 0.000 1.097 283 F CA 1.114 59.272 58.000 0.262 0.000 1.264 283 F CB -1.593 37.562 39.000 0.257 0.000 1.001 283 F HN 0.211 nan 8.300 nan 0.000 0.479 284 A N 0.172 123.307 122.820 0.525 0.000 1.933 284 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 284 A C 2.136 179.880 177.584 0.266 0.000 1.175 284 A CA 1.817 54.145 52.037 0.484 0.000 0.628 284 A CB -0.738 18.501 19.000 0.399 0.000 0.814 284 A HN 0.330 nan 8.150 nan 0.000 0.444 285 N N 0.086 118.881 118.700 0.159 0.000 2.188 285 N HA -0.096 4.644 4.740 -0.000 0.000 0.184 285 N C 1.652 177.197 175.510 0.058 0.000 1.018 285 N CA 1.475 54.573 53.050 0.079 0.000 0.858 285 N CB -0.437 38.067 38.487 0.028 0.000 0.989 285 N HN 0.270 nan 8.380 nan 0.000 0.426 286 V N 0.629 120.599 119.914 0.094 0.000 2.427 286 V HA -0.219 3.901 4.120 -0.000 0.000 0.248 286 V C 2.009 178.090 176.094 -0.022 0.000 1.051 286 V CA 1.251 63.590 62.300 0.065 0.000 1.048 286 V CB -0.677 31.236 31.823 0.150 0.000 0.666 286 V HN 0.246 nan 8.190 nan 0.000 0.456 287 Y N 1.495 121.645 120.300 -0.249 0.000 2.089 287 Y HA -0.242 4.308 4.550 0.000 0.000 0.282 287 Y C 2.543 178.236 175.900 -0.345 0.000 1.139 287 Y CA 1.931 59.693 58.100 -0.562 0.000 1.123 287 Y CB -0.308 37.426 38.460 -1.210 0.000 0.980 287 Y HN 0.128 nan 8.280 nan 0.000 0.493 288 K N -0.222 120.061 120.400 -0.195 0.000 2.097 288 K HA -0.229 4.091 4.320 -0.000 0.000 0.206 288 K C 1.938 178.429 176.600 -0.183 0.000 1.049 288 K CA 1.573 57.740 56.287 -0.200 0.000 0.933 288 K CB -0.386 32.104 32.500 -0.017 0.000 0.717 288 K HN 0.283 nan 8.250 nan 0.000 0.442 289 N N 0.754 119.385 118.700 -0.116 0.000 2.381 289 N HA -0.106 4.634 4.740 -0.000 0.000 0.182 289 N C 0.980 176.421 175.510 -0.114 0.000 1.025 289 N CA 0.948 53.947 53.050 -0.084 0.000 0.888 289 N CB 0.083 38.547 38.487 -0.038 0.000 0.965 289 N HN 0.173 nan 8.380 nan 0.000 0.438 290 A N -0.998 121.714 122.820 -0.180 0.000 2.415 290 A HA 0.348 4.668 4.320 -0.000 0.000 0.248 290 A C 0.574 178.005 177.584 -0.255 0.000 1.299 290 A CA 0.133 52.058 52.037 -0.187 0.000 0.899 290 A CB -0.254 18.634 19.000 -0.187 0.000 0.997 290 A HN 0.105 nan 8.150 nan 0.000 0.506 291 S N -0.277 115.261 115.700 -0.271 0.000 3.749 291 S HA -0.165 4.305 4.470 -0.000 0.000 0.348 291 S C 0.457 174.812 174.600 -0.408 0.000 1.045 291 S CA 0.652 58.689 58.200 -0.272 0.000 1.051 291 S CB -2.411 60.682 63.200 -0.179 0.000 0.898 291 S HN 1.512 nan 8.310 nan 0.000 0.472 292 S N -0.755 114.493 115.700 -0.753 0.000 3.484 292 S HA -0.143 4.327 4.470 -0.000 0.000 0.384 292 S C -1.841 172.382 174.600 -0.628 0.000 0.932 292 S CA 0.538 58.003 58.200 -1.225 0.000 1.293 292 S CB -1.133 61.633 63.200 -0.723 0.000 0.919 292 S HN 0.579 nan 8.310 nan 0.000 0.540 293 P HA 0.065 nan 4.420 nan 0.000 0.263 293 P C 1.041 178.289 177.300 -0.087 0.000 1.195 293 P CA -0.338 62.633 63.100 -0.216 0.000 0.762 293 P CB 0.537 32.136 31.700 -0.168 0.000 0.799 294 R N 4.227 124.691 120.500 -0.060 0.000 2.152 294 R HA -0.136 4.204 4.340 -0.000 0.000 0.232 294 R C 1.467 177.779 176.300 0.021 0.000 1.117 294 R CA 1.884 57.978 56.100 -0.011 0.000 0.981 294 R CB -0.817 29.450 30.300 -0.055 0.000 0.870 294 R HN 0.507 nan 8.270 nan 0.000 0.451 295 A N 0.751 123.578 122.820 0.012 0.000 2.119 295 A HA -0.022 4.298 4.320 -0.000 0.000 0.216 295 A C 1.083 178.703 177.584 0.059 0.000 1.152 295 A CA 0.052 52.125 52.037 0.060 0.000 0.708 295 A CB -0.151 18.873 19.000 0.040 0.000 0.805 295 A HN 0.241 nan 8.150 nan 0.000 0.460 296 L N 0.786 122.048 121.223 0.065 0.000 2.404 296 L HA 0.327 4.667 4.340 -0.000 0.000 0.277 296 L C 1.358 178.322 176.870 0.156 0.000 1.184 296 L CA -0.067 54.829 54.840 0.092 0.000 1.013 296 L CB -0.112 42.013 42.059 0.110 0.000 1.318 296 L HN 0.402 nan 8.230 nan 0.000 0.435 297 R N 2.631 123.102 120.500 -0.050 0.000 2.148 297 R HA 0.275 4.615 4.340 -0.000 0.000 0.223 297 R C 0.788 177.042 176.300 -0.077 0.000 1.088 297 R CA 1.155 57.205 56.100 -0.084 0.000 0.985 297 R CB 0.133 30.238 30.300 -0.325 0.000 0.880 297 R HN 0.727 nan 8.270 nan 0.000 0.451 298 G N -1.137 107.555 108.800 -0.179 0.000 2.512 298 G HA2 0.188 4.148 3.960 -0.000 0.000 0.181 298 G HA3 0.188 4.148 3.960 -0.000 0.000 0.181 298 G C -1.691 173.060 174.900 -0.249 0.000 1.173 298 G CA -0.575 44.338 45.100 -0.311 0.000 0.988 298 G HN 0.041 nan 8.290 nan 0.000 0.485 299 L N 0.364 121.342 121.223 -0.408 0.000 2.323 299 L HA 0.842 5.182 4.340 -0.000 0.000 0.265 299 L C 0.164 177.068 176.870 0.057 0.000 1.012 299 L CA -1.070 53.627 54.840 -0.239 0.000 0.820 299 L CB 2.202 43.941 42.059 -0.533 0.000 1.334 299 L HN 0.911 nan 8.230 nan 0.000 0.427 300 A N 0.597 123.440 122.820 0.038 0.000 2.342 300 A HA 0.827 5.147 4.320 -0.000 0.000 0.323 300 A C -0.369 177.255 177.584 0.068 0.000 1.125 300 A CA -0.394 51.654 52.037 0.019 0.000 0.785 300 A CB 1.539 20.508 19.000 -0.053 0.000 1.221 300 A HN 0.712 nan 8.150 nan 0.000 0.463 301 T N -0.995 113.629 114.554 0.117 0.000 2.901 301 T HA 0.544 4.894 4.350 -0.000 0.000 0.293 301 T C 0.203 175.019 174.700 0.193 0.000 1.084 301 T CA -0.135 62.100 62.100 0.225 0.000 1.008 301 T CB 1.356 70.455 68.868 0.386 0.000 1.170 301 T HN 1.280 nan 8.240 nan 0.000 0.509 302 N N -0.385 118.467 118.700 0.252 0.000 2.828 302 N HA -0.156 4.584 4.740 -0.000 0.000 0.248 302 N C -0.250 175.311 175.510 0.084 0.000 1.044 302 N CA 0.885 54.042 53.050 0.179 0.000 0.851 302 N CB -1.647 36.949 38.487 0.181 0.000 1.136 302 N HN 0.718 nan 8.380 nan 0.000 0.572 303 V N 0.644 120.614 119.914 0.094 0.000 2.509 303 V HA 0.242 4.362 4.120 -0.000 0.000 0.297 303 V C 1.736 177.879 176.094 0.081 0.000 1.014 303 V CA 1.074 63.414 62.300 0.068 0.000 1.127 303 V CB 0.049 31.897 31.823 0.041 0.000 0.925 303 V HN 0.659 nan 8.190 nan 0.000 0.480 304 A N 3.217 126.061 122.820 0.040 0.000 3.153 304 A HA -0.262 4.058 4.320 -0.000 0.000 0.265 304 A C 0.557 177.964 177.584 -0.294 0.000 1.212 304 A CA 1.708 53.700 52.037 -0.076 0.000 1.018 304 A CB -2.194 16.821 19.000 0.024 0.000 1.130 304 A HN 0.846 nan 8.150 nan 0.000 0.873 305 N N -2.855 115.673 118.700 -0.287 0.000 2.671 305 N HA 0.742 5.482 4.740 -0.000 0.000 0.303 305 N C 0.261 175.444 175.510 -0.545 0.000 1.277 305 N CA -0.088 52.702 53.050 -0.434 0.000 0.933 305 N CB 0.390 38.709 38.487 -0.280 0.000 1.190 305 N HN 0.227 nan 8.380 nan 0.000 0.600 306 Y N -1.486 118.822 120.300 0.014 0.000 2.641 306 Y HA 0.426 4.976 4.550 -0.000 0.000 0.248 306 Y C -0.369 175.596 175.900 0.109 0.000 1.170 306 Y CA -0.775 57.353 58.100 0.047 0.000 1.201 306 Y CB -0.496 37.976 38.460 0.020 0.000 1.232 306 Y HN 0.245 nan 8.280 nan 0.000 0.537 307 N N 1.450 120.318 118.700 0.279 0.000 2.374 307 N HA 0.145 4.885 4.740 -0.000 0.000 0.241 307 N C 0.641 176.318 175.510 0.277 0.000 1.262 307 N CA 0.660 53.910 53.050 0.334 0.000 0.880 307 N CB 0.690 39.414 38.487 0.395 0.000 1.105 307 N HN 0.425 nan 8.380 nan 0.000 0.438 308 G N -0.282 108.675 108.800 0.261 0.000 2.476 308 G HA2 0.088 4.048 3.960 -0.000 0.000 0.269 308 G HA3 0.088 4.048 3.960 -0.000 0.000 0.269 308 G C 0.700 175.773 174.900 0.288 0.000 1.195 308 G CA -0.779 44.461 45.100 0.232 0.000 0.843 308 G HN 0.781 nan 8.290 nan 0.000 0.545 309 W N 2.369 123.740 121.300 0.119 0.000 2.408 309 W HA -0.073 4.586 4.660 -0.000 0.000 0.311 309 W C 0.479 177.066 176.519 0.113 0.000 1.190 309 W CA 1.196 58.630 57.345 0.149 0.000 1.321 309 W CB 0.302 29.879 29.460 0.195 0.000 1.143 309 W HN 0.606 nan 8.180 nan 0.000 0.501 310 N N 0.742 119.298 118.700 -0.239 0.000 2.536 310 N HA 0.087 4.827 4.740 -0.000 0.000 0.286 310 N C -0.191 175.227 175.510 -0.153 0.000 1.577 310 N CA -0.204 52.577 53.050 -0.449 0.000 0.883 310 N CB -1.433 36.670 38.487 -0.639 0.000 1.390 310 N HN 0.285 nan 8.380 nan 0.000 0.491 311 I N -1.427 119.127 120.570 -0.027 0.000 2.815 311 I HA 0.101 4.271 4.170 -0.000 0.000 0.291 311 I C 1.137 177.308 176.117 0.089 0.000 1.209 311 I CA -0.060 61.270 61.300 0.050 0.000 1.431 311 I CB 0.548 38.608 38.000 0.100 0.000 1.351 311 I HN 0.108 nan 8.210 nan 0.000 0.585 312 T N 0.590 115.185 114.554 0.069 0.000 3.100 312 T HA 0.161 4.511 4.350 -0.000 0.000 0.253 312 T C 0.673 175.434 174.700 0.102 0.000 1.118 312 T CA -0.083 62.064 62.100 0.077 0.000 1.058 312 T CB -0.151 68.727 68.868 0.016 0.000 0.953 312 T HN 0.605 nan 8.240 nan 0.000 0.515 313 S N 2.750 118.472 115.700 0.037 0.000 2.547 313 S HA 0.540 5.010 4.470 -0.000 0.000 0.281 313 S C -2.952 171.359 174.600 -0.483 0.000 1.118 313 S CA -1.290 56.804 58.200 -0.176 0.000 0.947 313 S CB 2.185 65.293 63.200 -0.153 0.000 1.053 313 S HN 0.185 nan 8.310 nan 0.000 0.482 314 P HA 0.262 nan 4.420 nan 0.000 0.271 314 P C -2.759 174.116 177.300 -0.709 0.000 1.233 314 P CA -1.069 61.300 63.100 -1.218 0.000 0.764 314 P CB -0.479 30.517 31.700 -1.174 0.000 0.825 315 P HA -0.010 nan 4.420 nan 0.000 0.269 315 P C 1.439 178.232 177.300 -0.845 0.000 1.215 315 P CA 0.007 62.587 63.100 -0.866 0.000 0.780 315 P CB 0.325 31.173 31.700 -1.419 0.000 0.898 316 S N 1.453 116.772 115.700 -0.635 0.000 2.383 316 S HA -0.258 4.212 4.470 -0.000 0.000 0.229 316 S C 1.718 176.132 174.600 -0.310 0.000 1.030 316 S CA 1.546 59.527 58.200 -0.365 0.000 1.002 316 S CB -1.639 61.451 63.200 -0.182 0.000 0.829 316 S HN 0.577 nan 8.310 nan 0.000 0.467 317 Y N 2.419 122.604 120.300 -0.192 0.000 2.616 317 Y HA 0.233 4.783 4.550 -0.000 0.000 0.296 317 Y C 2.198 177.971 175.900 -0.212 0.000 1.154 317 Y CA 0.606 58.621 58.100 -0.142 0.000 1.325 317 Y CB -1.565 36.817 38.460 -0.131 0.000 1.007 317 Y HN 0.433 nan 8.280 nan 0.000 0.542 318 T N -3.762 110.458 114.554 -0.556 0.000 3.105 318 T HA 0.135 4.485 4.350 -0.000 0.000 0.253 318 T C 0.431 175.033 174.700 -0.163 0.000 1.047 318 T CA -0.415 61.300 62.100 -0.641 0.000 0.944 318 T CB -0.237 67.979 68.868 -1.087 0.000 1.016 318 T HN 0.088 nan 8.240 nan 0.000 0.544 319 Q N 1.295 121.048 119.800 -0.078 0.000 2.283 319 Q HA 0.427 4.767 4.340 -0.000 0.000 0.301 319 Q C 1.468 177.580 176.000 0.187 0.000 1.063 319 Q CA 1.780 57.588 55.803 0.008 0.000 0.952 319 Q CB 0.003 28.746 28.738 0.008 0.000 1.166 319 Q HN 0.646 nan 8.270 nan 0.000 0.381 320 G N 2.833 111.716 108.800 0.138 0.000 2.232 320 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.226 320 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.226 320 G C 0.128 175.151 174.900 0.206 0.000 0.996 320 G CA 0.001 45.261 45.100 0.267 0.000 0.626 320 G HN 0.608 nan 8.290 nan 0.000 0.509 321 N N 1.047 119.675 118.700 -0.120 0.000 2.501 321 N HA 0.678 5.418 4.740 -0.000 0.000 0.245 321 N C 1.251 176.708 175.510 -0.088 0.000 0.974 321 N CA 0.603 53.399 53.050 -0.423 0.000 0.941 321 N CB 1.130 38.882 38.487 -1.225 0.000 1.122 321 N HN 0.521 nan 8.380 nan 0.000 0.507 322 A N 3.017 125.837 122.820 -0.001 0.000 2.019 322 A HA -0.036 4.284 4.320 -0.000 0.000 0.219 322 A C 0.658 178.279 177.584 0.062 0.000 1.164 322 A CA 0.894 52.978 52.037 0.078 0.000 0.644 322 A CB -0.070 18.963 19.000 0.055 0.000 0.805 322 A HN 0.426 nan 8.150 nan 0.000 0.449 323 V N 1.541 121.448 119.914 -0.012 0.000 2.222 323 V HA 0.114 4.234 4.120 -0.000 0.000 0.253 323 V C 0.379 176.510 176.094 0.061 0.000 1.210 323 V CA -0.124 62.151 62.300 -0.041 0.000 1.079 323 V CB -1.029 30.791 31.823 -0.006 0.000 1.265 323 V HN 0.656 nan 8.190 nan 0.000 0.494 324 Y N 2.178 122.494 120.300 0.027 0.000 2.485 324 Y HA 0.475 5.025 4.550 -0.000 0.000 0.260 324 Y C 0.423 176.381 175.900 0.096 0.000 1.173 324 Y CA -1.165 56.964 58.100 0.047 0.000 1.252 324 Y CB -0.205 38.153 38.460 -0.170 0.000 1.123 324 Y HN 0.652 nan 8.280 nan 0.000 0.524 325 N N -1.664 116.996 118.700 -0.068 0.000 2.610 325 N HA 0.163 4.903 4.740 -0.000 0.000 0.264 325 N C 0.127 175.680 175.510 0.071 0.000 1.348 325 N CA -0.735 52.324 53.050 0.016 0.000 0.819 325 N CB 0.861 39.252 38.487 -0.160 0.000 1.521 325 N HN -0.089 nan 8.380 nan 0.000 0.497 326 E N 0.337 120.651 120.200 0.189 0.000 2.150 326 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 326 E C 1.039 177.736 176.600 0.161 0.000 0.985 326 E CA 0.964 57.550 56.400 0.309 0.000 0.814 326 E CB -0.047 29.944 29.700 0.485 0.000 0.752 326 E HN 0.743 nan 8.360 nan 0.000 0.466 327 K N 0.932 121.200 120.400 -0.220 0.000 2.026 327 K HA -0.103 4.217 4.320 -0.000 0.000 0.208 327 K C 2.293 178.805 176.600 -0.146 0.000 1.048 327 K CA 0.836 56.815 56.287 -0.512 0.000 0.929 327 K CB -0.110 31.687 32.500 -1.171 0.000 0.713 327 K HN 0.059 nan 8.250 nan 0.000 0.439 328 L N 0.203 121.314 121.223 -0.187 0.000 2.083 328 L HA -0.202 4.138 4.340 -0.000 0.000 0.209 328 L C 2.550 179.420 176.870 0.000 0.000 1.083 328 L CA 1.088 55.855 54.840 -0.123 0.000 0.752 328 L CB -0.558 41.365 42.059 -0.226 0.000 0.899 328 L HN 0.291 nan 8.230 nan 0.000 0.433 329 Y N 1.501 121.740 120.300 -0.102 0.000 2.133 329 Y HA -0.237 4.313 4.550 -0.000 0.000 0.287 329 Y C 2.410 178.202 175.900 -0.181 0.000 1.134 329 Y CA 1.718 59.769 58.100 -0.082 0.000 1.133 329 Y CB -0.428 38.023 38.460 -0.015 0.000 0.987 329 Y HN 0.213 nan 8.280 nan 0.000 0.502 330 I N -2.496 117.737 120.570 -0.563 0.000 2.493 330 I HA -0.231 3.939 4.170 -0.000 0.000 0.254 330 I C 1.926 177.535 176.117 -0.847 0.000 1.160 330 I CA 1.726 62.334 61.300 -1.153 0.000 1.445 330 I CB -0.785 36.284 38.000 -1.552 0.000 1.086 330 I HN 0.151 nan 8.210 nan 0.000 0.433 331 H N 1.295 120.127 119.070 -0.396 0.000 2.529 331 H HA 0.208 4.764 4.556 0.000 0.000 0.277 331 H C 2.320 177.544 175.328 -0.175 0.000 0.999 331 H CA 1.174 57.073 56.048 -0.248 0.000 1.256 331 H CB 0.428 30.081 29.762 -0.183 0.000 1.402 331 H HN 0.551 nan 8.280 nan 0.000 0.566 332 A N 0.701 123.476 122.820 -0.076 0.000 1.871 332 A HA 0.009 4.329 4.320 -0.000 0.000 0.211 332 A C 2.352 179.915 177.584 -0.034 0.000 1.207 332 A CA 0.393 52.420 52.037 -0.017 0.000 0.620 332 A CB -0.395 18.634 19.000 0.048 0.000 0.860 332 A HN 0.305 nan 8.150 nan 0.000 0.450 333 I N -0.463 120.036 120.570 -0.118 0.000 2.617 333 I HA -0.013 4.157 4.170 -0.000 0.000 0.256 333 I C 2.255 178.349 176.117 -0.039 0.000 1.167 333 I CA 0.928 62.194 61.300 -0.056 0.000 1.469 333 I CB -0.246 37.692 38.000 -0.104 0.000 1.098 333 I HN 0.347 nan 8.210 nan 0.000 0.436 334 G N 1.937 110.681 108.800 -0.095 0.000 2.514 334 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.217 334 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.217 334 G C -0.643 174.215 174.900 -0.070 0.000 1.198 334 G CA 1.003 46.090 45.100 -0.021 0.000 0.780 334 G HN 0.317 nan 8.290 nan 0.000 0.565 335 P HA -0.014 nan 4.420 nan 0.000 0.219 335 P C 1.943 179.232 177.300 -0.017 0.000 1.146 335 P CA 0.688 63.764 63.100 -0.039 0.000 0.808 335 P CB -0.098 31.589 31.700 -0.021 0.000 0.779 336 L N -1.927 119.308 121.223 0.020 0.000 2.156 336 L HA -0.096 4.244 4.340 -0.000 0.000 0.208 336 L C 2.321 179.290 176.870 0.165 0.000 1.095 336 L CA 0.924 55.819 54.840 0.092 0.000 0.770 336 L CB -0.807 41.345 42.059 0.156 0.000 0.914 336 L HN -0.016 nan 8.230 nan 0.000 0.439 337 L N -0.143 121.129 121.223 0.082 0.000 2.046 337 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 337 L C 2.908 179.832 176.870 0.091 0.000 1.077 337 L CA 1.183 56.071 54.840 0.079 0.000 0.747 337 L CB -0.697 41.234 42.059 -0.213 0.000 0.896 337 L HN 0.241 nan 8.230 nan 0.000 0.432 338 A N 0.259 123.075 122.820 -0.006 0.000 1.933 338 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 338 A C 1.975 179.562 177.584 0.006 0.000 1.175 338 A CA 1.951 53.991 52.037 0.004 0.000 0.628 338 A CB -0.826 18.151 19.000 -0.039 0.000 0.814 338 A HN 0.532 nan 8.150 nan 0.000 0.444 339 N N -1.050 117.617 118.700 -0.056 0.000 2.289 339 N HA -0.137 4.603 4.740 -0.000 0.000 0.184 339 N C 0.720 176.073 175.510 -0.261 0.000 1.016 339 N CA 0.943 53.885 53.050 -0.180 0.000 0.872 339 N CB -0.171 38.140 38.487 -0.293 0.000 0.973 339 N HN 0.562 nan 8.380 nan 0.000 0.433 340 H N -1.043 118.075 119.070 0.080 0.000 2.505 340 H HA 0.207 4.763 4.556 0.000 0.000 0.289 340 H C 1.293 176.700 175.328 0.133 0.000 1.052 340 H CA 0.618 56.726 56.048 0.100 0.000 1.156 340 H CB 0.779 30.608 29.762 0.111 0.000 1.507 340 H HN 0.359 nan 8.280 nan 0.000 0.548 341 G N 0.598 109.517 108.800 0.197 0.000 2.179 341 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.220 341 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.220 341 G C -0.220 174.852 174.900 0.286 0.000 0.990 341 G CA -0.131 45.092 45.100 0.206 0.000 0.646 341 G HN 0.352 nan 8.290 nan 0.000 0.517 342 W N 3.547 124.865 121.300 0.029 0.000 2.296 342 W HA 0.781 5.441 4.660 0.000 0.000 0.333 342 W C -0.006 176.395 176.519 -0.197 0.000 0.931 342 W CA -1.185 56.060 57.345 -0.167 0.000 1.538 342 W CB 0.308 29.591 29.460 -0.295 0.000 1.417 342 W HN 0.066 nan 8.180 nan 0.000 0.380 343 S N 4.194 120.029 115.700 0.225 0.000 2.632 343 S HA 0.202 4.672 4.470 -0.000 0.000 0.271 343 S C 0.450 175.088 174.600 0.064 0.000 1.260 343 S CA -0.320 57.926 58.200 0.077 0.000 1.010 343 S CB 0.840 64.090 63.200 0.083 0.000 0.965 343 S HN 0.467 nan 8.310 nan 0.000 0.534 344 N N -0.081 118.578 118.700 -0.070 0.000 2.754 344 N HA -0.167 4.573 4.740 -0.000 0.000 0.248 344 N C -0.464 174.956 175.510 -0.149 0.000 1.093 344 N CA 0.826 53.845 53.050 -0.051 0.000 0.699 344 N CB -1.368 37.246 38.487 0.211 0.000 1.016 344 N HN 0.712 nan 8.380 nan 0.000 0.552 345 A N -0.037 122.439 122.820 -0.574 0.000 2.301 345 A HA 0.736 5.056 4.320 -0.000 0.000 0.298 345 A C -0.003 177.022 177.584 -0.932 0.000 1.185 345 A CA -0.153 51.394 52.037 -0.817 0.000 0.830 345 A CB 0.507 18.488 19.000 -1.700 0.000 1.112 345 A HN 0.169 nan 8.150 nan 0.000 0.508 346 F N 0.246 119.886 119.950 -0.517 0.000 2.661 346 F HA 0.833 5.360 4.527 -0.000 0.000 0.347 346 F C -0.384 175.134 175.800 -0.470 0.000 1.086 346 F CA -0.623 57.206 58.000 -0.284 0.000 1.016 346 F CB 1.618 40.623 39.000 0.008 0.000 1.368 346 F HN 0.484 nan 8.300 nan 0.000 0.505 347 F N 0.748 120.800 119.950 0.171 0.000 2.620 347 F HA 0.730 5.257 4.527 -0.000 0.000 0.320 347 F C -0.442 175.291 175.800 -0.112 0.000 1.069 347 F CA -1.472 56.555 58.000 0.045 0.000 0.953 347 F CB 1.728 40.663 39.000 -0.108 0.000 1.322 347 F HN 0.258 nan 8.300 nan 0.000 0.479 348 I N -1.231 119.297 120.570 -0.071 0.000 2.647 348 I HA 0.855 5.025 4.170 -0.000 0.000 0.295 348 I C -1.228 174.789 176.117 -0.166 0.000 1.078 348 I CA -0.583 60.510 61.300 -0.346 0.000 1.048 348 I CB 2.458 40.047 38.000 -0.685 0.000 1.239 348 I HN 0.451 nan 8.210 nan 0.000 0.421 349 T N 2.491 116.950 114.554 -0.158 0.000 2.886 349 T HA 0.252 4.602 4.350 -0.000 0.000 0.292 349 T C -0.987 173.736 174.700 0.040 0.000 1.012 349 T CA -0.304 61.795 62.100 -0.002 0.000 0.982 349 T CB 1.686 70.609 68.868 0.093 0.000 1.018 349 T HN 0.654 nan 8.240 nan 0.000 0.451 350 D N 1.975 122.411 120.400 0.060 0.000 2.348 350 D HA 0.149 4.789 4.640 -0.000 0.000 0.253 350 D C 0.303 176.668 176.300 0.110 0.000 1.161 350 D CA 0.094 54.140 54.000 0.077 0.000 0.876 350 D CB 0.934 41.752 40.800 0.030 0.000 1.160 350 D HN 0.311 nan 8.370 nan 0.000 0.459 351 Q N 2.192 122.073 119.800 0.135 0.000 2.103 351 Q HA 0.171 4.511 4.340 -0.000 0.000 0.219 351 Q C 1.564 177.483 176.000 -0.135 0.000 0.784 351 Q CA -0.089 55.770 55.803 0.093 0.000 1.014 351 Q CB 1.193 30.027 28.738 0.160 0.000 1.183 351 Q HN 0.667 nan 8.270 nan 0.000 0.469 352 G N 1.177 109.697 108.800 -0.466 0.000 2.479 352 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.220 352 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.220 352 G C 1.221 175.793 174.900 -0.546 0.000 1.115 352 G CA 0.446 44.859 45.100 -1.145 0.000 0.757 352 G HN 0.150 nan 8.290 nan 0.000 0.560 353 R N -0.496 119.855 120.500 -0.248 0.000 2.615 353 R HA 0.223 4.563 4.340 -0.000 0.000 0.448 353 R C 0.530 176.863 176.300 0.056 0.000 1.009 353 R CA -0.031 56.015 56.100 -0.091 0.000 1.111 353 R CB 0.812 31.095 30.300 -0.028 0.000 1.461 353 R HN 0.157 nan 8.270 nan 0.000 0.587 354 S N -0.333 115.386 115.700 0.032 0.000 2.539 354 S HA 0.064 4.534 4.470 -0.000 0.000 0.221 354 S C 1.644 176.295 174.600 0.086 0.000 0.987 354 S CA 0.110 58.372 58.200 0.103 0.000 0.929 354 S CB 1.126 64.402 63.200 0.126 0.000 0.832 354 S HN 0.553 nan 8.310 nan 0.000 0.492 355 G N 2.018 110.853 108.800 0.059 0.000 2.450 355 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.220 355 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.220 355 G C 0.536 175.459 174.900 0.039 0.000 1.130 355 G CA 0.646 45.784 45.100 0.063 0.000 0.760 355 G HN 0.419 nan 8.290 nan 0.000 0.557 356 K N 0.439 120.850 120.400 0.018 0.000 2.274 356 K HA 0.401 4.721 4.320 -0.000 0.000 0.262 356 K C -0.966 175.649 176.600 0.024 0.000 0.961 356 K CA -0.575 55.714 56.287 0.002 0.000 0.833 356 K CB 0.836 33.312 32.500 -0.041 0.000 1.102 356 K HN -0.062 nan 8.250 nan 0.000 0.436 357 Q N 3.905 123.721 119.800 0.027 0.000 2.305 357 Q HA 0.397 4.737 4.340 -0.000 0.000 0.271 357 Q C -2.250 173.754 176.000 0.007 0.000 1.046 357 Q CA -1.794 54.034 55.803 0.041 0.000 0.798 357 Q CB 1.727 30.499 28.738 0.056 0.000 1.286 357 Q HN 0.721 nan 8.270 nan 0.000 0.435 358 P HA 0.196 nan 4.420 nan 0.000 0.274 358 P C -0.063 177.292 177.300 0.092 0.000 1.256 358 P CA -0.206 62.934 63.100 0.067 0.000 0.795 358 P CB 0.676 32.374 31.700 -0.003 0.000 1.038 359 T N -3.385 111.260 114.554 0.151 0.000 2.793 359 T HA 0.363 4.713 4.350 -0.000 0.000 0.299 359 T C 1.316 175.980 174.700 -0.061 0.000 1.038 359 T CA 0.001 62.082 62.100 -0.032 0.000 0.948 359 T CB 0.025 68.788 68.868 -0.175 0.000 1.231 359 T HN 0.455 nan 8.240 nan 0.000 0.538 360 G N -0.733 107.967 108.800 -0.167 0.000 3.141 360 G HA2 0.155 4.115 3.960 -0.000 0.000 0.218 360 G HA3 0.155 4.115 3.960 -0.000 0.000 0.218 360 G C 0.363 175.151 174.900 -0.187 0.000 1.170 360 G CA -0.398 44.617 45.100 -0.141 0.000 0.769 360 G HN 0.725 nan 8.290 nan 0.000 0.546 361 Q N -0.075 119.525 119.800 -0.334 0.000 2.263 361 Q HA 0.121 4.461 4.340 -0.000 0.000 0.289 361 Q C 1.153 177.022 176.000 -0.218 0.000 1.061 361 Q CA 0.050 55.613 55.803 -0.400 0.000 0.927 361 Q CB 0.950 29.237 28.738 -0.752 0.000 1.154 361 Q HN 0.192 nan 8.270 nan 0.000 0.378 362 Q N 0.945 120.680 119.800 -0.107 0.000 2.204 362 Q HA 0.001 4.341 4.340 -0.000 0.000 0.198 362 Q C -0.295 175.736 176.000 0.052 0.000 0.946 362 Q CA 1.123 56.922 55.803 -0.007 0.000 0.859 362 Q CB 0.763 29.493 28.738 -0.013 0.000 0.946 362 Q HN 0.432 nan 8.270 nan 0.000 0.474 363 Q N -1.792 118.029 119.800 0.034 0.000 2.372 363 Q HA 0.068 4.408 4.340 -0.000 0.000 0.273 363 Q C -0.330 175.771 176.000 0.168 0.000 1.078 363 Q CA -0.443 55.445 55.803 0.141 0.000 0.806 363 Q CB 0.796 29.615 28.738 0.135 0.000 1.332 363 Q HN 0.277 nan 8.270 nan 0.000 0.435 364 W N 2.854 124.220 121.300 0.111 0.000 2.350 364 W HA -0.041 4.619 4.660 0.000 0.000 0.289 364 W C 1.371 177.964 176.519 0.123 0.000 1.215 364 W CA 2.015 59.434 57.345 0.123 0.000 1.236 364 W CB -0.208 29.461 29.460 0.348 0.000 1.130 364 W HN 0.823 nan 8.180 nan 0.000 0.541 365 G N -0.319 108.678 108.800 0.328 0.000 2.848 365 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.208 365 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.208 365 G C -0.006 175.021 174.900 0.212 0.000 1.152 365 G CA -0.053 45.164 45.100 0.196 0.000 0.789 365 G HN -0.021 nan 8.290 nan 0.000 0.531 366 D N 0.898 121.387 120.400 0.148 0.000 2.344 366 D HA 0.092 4.732 4.640 -0.000 0.000 0.253 366 D C 1.137 177.443 176.300 0.010 0.000 1.255 366 D CA -0.518 53.490 54.000 0.013 0.000 0.894 366 D CB 0.371 41.135 40.800 -0.061 0.000 1.067 366 D HN 0.590 nan 8.370 nan 0.000 0.492 367 W N 1.255 122.577 121.300 0.036 0.000 3.058 367 W HA 0.180 4.840 4.660 0.000 0.000 0.306 367 W C -0.064 176.541 176.519 0.145 0.000 1.188 367 W CA -0.547 56.869 57.345 0.118 0.000 1.651 367 W CB -0.506 28.956 29.460 0.004 0.000 1.051 367 W HN 0.204 nan 8.180 nan 0.000 0.592 368 c N 5.442 123.494 118.600 -0.912 0.000 2.373 368 c HA 0.218 4.788 4.570 -0.000 0.000 0.354 368 c C 1.008 174.924 174.090 -0.291 0.000 1.249 368 c CA -0.384 55.495 56.329 -0.750 0.000 1.784 368 c CB -1.434 40.327 42.510 -1.249 0.000 2.408 368 c HN 0.340 nan 8.230 nan 0.000 0.542 369 N N 3.929 122.544 118.700 -0.143 0.000 2.698 369 N HA -0.158 4.582 4.740 -0.000 0.000 0.258 369 N C -0.076 175.479 175.510 0.075 0.000 0.978 369 N CA 0.591 53.548 53.050 -0.155 0.000 0.777 369 N CB -0.869 37.619 38.487 0.002 0.000 0.907 369 N HN 0.612 nan 8.380 nan 0.000 0.543 370 V N 1.453 121.318 119.914 -0.082 0.000 2.617 370 V HA -0.036 4.084 4.120 -0.000 0.000 0.304 370 V C 1.610 177.627 176.094 -0.129 0.000 1.040 370 V CA -0.095 62.024 62.300 -0.302 0.000 1.149 370 V CB 0.226 31.474 31.823 -0.959 0.000 0.914 370 V HN 0.328 nan 8.190 nan 0.000 0.487 371 I N 1.943 122.419 120.570 -0.158 0.000 2.886 371 I HA 0.722 4.892 4.170 -0.000 0.000 0.299 371 I C 1.097 177.078 176.117 -0.226 0.000 1.044 371 I CA 0.079 61.272 61.300 -0.180 0.000 1.310 371 I CB 0.602 38.522 38.000 -0.134 0.000 1.441 371 I HN 0.829 nan 8.210 nan 0.000 0.578 372 G N 2.415 111.074 108.800 -0.234 0.000 2.198 372 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.257 372 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.257 372 G C 0.063 174.846 174.900 -0.196 0.000 1.042 372 G CA 0.338 45.322 45.100 -0.194 0.000 0.791 372 G HN 1.294 nan 8.290 nan 0.000 0.502 373 T N -2.411 111.987 114.554 -0.260 0.000 2.942 373 T HA 0.919 5.269 4.350 -0.000 0.000 0.289 373 T C 0.279 174.821 174.700 -0.263 0.000 1.044 373 T CA -0.020 61.964 62.100 -0.193 0.000 1.023 373 T CB 2.952 71.768 68.868 -0.088 0.000 1.123 373 T HN 1.684 nan 8.240 nan 0.000 0.512 374 G N 0.131 108.817 108.800 -0.191 0.000 2.692 374 G HA2 0.572 4.532 3.960 -0.000 0.000 0.291 374 G HA3 0.572 4.532 3.960 -0.000 0.000 0.291 374 G C -1.288 173.509 174.900 -0.171 0.000 1.423 374 G CA -0.984 43.970 45.100 -0.243 0.000 0.843 374 G HN 0.571 nan 8.290 nan 0.000 0.486 375 F N 0.639 120.564 119.950 -0.042 0.000 2.602 375 F HA 0.425 4.952 4.527 -0.000 0.000 0.367 375 F C 1.398 177.228 175.800 0.050 0.000 1.126 375 F CA 1.314 59.279 58.000 -0.057 0.000 1.321 375 F CB 0.972 40.125 39.000 0.255 0.000 1.094 375 F HN 0.575 nan 8.300 nan 0.000 0.594 376 G N 2.286 111.221 108.800 0.225 0.000 3.039 376 G HA2 0.498 4.458 3.960 -0.000 0.000 0.159 376 G HA3 0.498 4.458 3.960 -0.000 0.000 0.159 376 G C -0.380 174.705 174.900 0.309 0.000 1.284 376 G CA -1.050 44.176 45.100 0.210 0.000 0.996 376 G HN 0.510 nan 8.290 nan 0.000 0.592 377 I N 1.772 122.417 120.570 0.125 0.000 2.826 377 I HA 0.017 4.187 4.170 -0.000 0.000 0.295 377 I C 0.594 176.792 176.117 0.136 0.000 1.213 377 I CA -0.126 61.136 61.300 -0.063 0.000 1.436 377 I CB 0.357 38.018 38.000 -0.565 0.000 1.348 377 I HN 0.156 nan 8.210 nan 0.000 0.570 378 R N 6.598 127.087 120.500 -0.018 0.000 2.594 378 R HA 0.263 4.603 4.340 -0.000 0.000 0.272 378 R C -2.314 173.902 176.300 -0.140 0.000 1.074 378 R CA -2.156 53.845 56.100 -0.164 0.000 1.105 378 R CB -0.458 29.708 30.300 -0.223 0.000 1.008 378 R HN 0.260 nan 8.270 nan 0.000 0.472 379 P HA -0.018 nan 4.420 nan 0.000 0.261 379 P C -0.502 176.782 177.300 -0.027 0.000 1.183 379 P CA 0.751 63.791 63.100 -0.101 0.000 0.761 379 P CB 0.651 32.244 31.700 -0.177 0.000 0.785 380 S N 2.285 118.004 115.700 0.032 0.000 2.578 380 S HA 0.515 4.985 4.470 -0.000 0.000 0.285 380 S C 0.382 174.922 174.600 -0.100 0.000 1.126 380 S CA -0.095 58.117 58.200 0.020 0.000 0.878 380 S CB 0.562 63.821 63.200 0.097 0.000 1.091 380 S HN 0.251 nan 8.310 nan 0.000 0.450 381 A N 3.051 125.815 122.820 -0.094 0.000 2.169 381 A HA 0.232 4.552 4.320 -0.000 0.000 0.212 381 A C 0.727 178.228 177.584 -0.138 0.000 1.153 381 A CA 0.269 52.216 52.037 -0.150 0.000 0.756 381 A CB -0.346 18.638 19.000 -0.027 0.000 0.813 381 A HN 0.741 nan 8.150 nan 0.000 0.471 382 N N 1.509 120.170 118.700 -0.064 0.000 3.050 382 N HA 0.035 4.775 4.740 -0.000 0.000 0.289 382 N C 0.882 176.382 175.510 -0.017 0.000 1.209 382 N CA 0.859 53.897 53.050 -0.020 0.000 1.154 382 N CB 0.610 39.115 38.487 0.030 0.000 1.444 382 N HN 0.559 nan 8.380 nan 0.000 0.529 383 T N -3.254 111.191 114.554 -0.181 0.000 3.081 383 T HA 0.103 4.453 4.350 -0.000 0.000 0.255 383 T C 1.434 176.149 174.700 0.026 0.000 1.113 383 T CA 0.474 62.374 62.100 -0.332 0.000 1.082 383 T CB 0.159 68.561 68.868 -0.777 0.000 0.939 383 T HN 0.409 nan 8.240 nan 0.000 0.506 384 G N 1.223 110.060 108.800 0.062 0.000 2.168 384 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.257 384 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.257 384 G C -0.234 174.762 174.900 0.161 0.000 0.997 384 G CA 0.313 45.489 45.100 0.126 0.000 0.708 384 G HN 0.781 nan 8.290 nan 0.000 0.520 385 D N -0.764 119.721 120.400 0.143 0.000 2.470 385 D HA 0.424 5.064 4.640 -0.000 0.000 0.233 385 D C 1.423 177.812 176.300 0.148 0.000 1.372 385 D CA 0.351 54.480 54.000 0.214 0.000 0.994 385 D CB 0.650 41.703 40.800 0.422 0.000 1.377 385 D HN 0.235 nan 8.370 nan 0.000 0.586 386 S N 3.028 118.823 115.700 0.159 0.000 2.420 386 S HA -0.163 4.307 4.470 -0.000 0.000 0.237 386 S C 2.071 176.843 174.600 0.287 0.000 1.023 386 S CA 0.501 58.814 58.200 0.189 0.000 0.991 386 S CB -0.221 63.101 63.200 0.203 0.000 0.792 386 S HN 0.612 nan 8.310 nan 0.000 0.488 387 L N -0.167 121.168 121.223 0.186 0.000 2.141 387 L HA 0.167 4.507 4.340 -0.000 0.000 0.209 387 L C 0.925 177.957 176.870 0.269 0.000 1.094 387 L CA 0.520 55.442 54.840 0.137 0.000 0.763 387 L CB -0.290 41.625 42.059 -0.240 0.000 0.908 387 L HN 0.350 nan 8.230 nan 0.000 0.437 388 L N 0.100 121.390 121.223 0.111 0.000 2.255 388 L HA 0.135 4.475 4.340 -0.000 0.000 0.289 388 L C 0.808 177.598 176.870 -0.133 0.000 1.046 388 L CA 0.184 54.988 54.840 -0.061 0.000 0.816 388 L CB 0.635 42.463 42.059 -0.385 0.000 1.197 388 L HN -0.074 nan 8.230 nan 0.000 0.427 389 D N 1.410 121.773 120.400 -0.060 0.000 2.144 389 D HA -0.039 4.601 4.640 -0.000 0.000 0.200 389 D C 0.302 176.358 176.300 -0.406 0.000 0.978 389 D CA 1.057 54.987 54.000 -0.116 0.000 0.833 389 D CB 0.424 41.276 40.800 0.087 0.000 0.961 389 D HN 0.465 nan 8.370 nan 0.000 0.470 390 S N -1.614 113.685 115.700 -0.669 0.000 2.580 390 S HA 0.337 4.807 4.470 -0.000 0.000 0.281 390 S C -1.590 172.554 174.600 -0.760 0.000 1.129 390 S CA -0.810 56.879 58.200 -0.852 0.000 0.862 390 S CB 0.066 62.439 63.200 -1.379 0.000 1.090 390 S HN -0.146 nan 8.310 nan 0.000 0.451 391 F N 2.667 122.350 119.950 -0.446 0.000 2.389 391 F HA 0.622 5.148 4.527 -0.000 0.000 0.337 391 F C 0.795 176.460 175.800 -0.224 0.000 1.112 391 F CA -0.126 57.677 58.000 -0.328 0.000 1.192 391 F CB 1.433 40.288 39.000 -0.242 0.000 1.185 391 F HN 0.499 nan 8.300 nan 0.000 0.552 392 V N -1.145 118.850 119.914 0.135 0.000 3.188 392 V HA 0.544 4.664 4.120 -0.000 0.000 0.305 392 V C -1.992 174.393 176.094 0.486 0.000 1.232 392 V CA -1.161 61.269 62.300 0.216 0.000 1.043 392 V CB 2.150 34.040 31.823 0.112 0.000 1.068 392 V HN 0.629 nan 8.190 nan 0.000 0.439 393 W N 1.713 123.113 121.300 0.167 0.000 2.394 393 W HA 0.750 5.410 4.660 -0.000 0.000 0.312 393 W C 0.495 177.157 176.519 0.238 0.000 0.981 393 W CA -1.137 56.305 57.345 0.162 0.000 1.519 393 W CB 1.032 30.574 29.460 0.138 0.000 1.304 393 W HN 0.505 nan 8.180 nan 0.000 0.412 394 V N 1.463 121.541 119.914 0.272 0.000 2.300 394 V HA -0.084 4.035 4.120 -0.000 0.000 0.241 394 V C 1.075 177.487 176.094 0.530 0.000 1.034 394 V CA 0.912 63.329 62.300 0.195 0.000 1.021 394 V CB -0.582 31.146 31.823 -0.159 0.000 0.662 394 V HN 0.084 nan 8.190 nan 0.000 0.458 395 K N 2.801 123.423 120.400 0.370 0.000 2.349 395 K HA 0.205 4.525 4.320 -0.000 0.000 0.289 395 K C -2.822 173.858 176.600 0.132 0.000 1.064 395 K CA -2.097 54.331 56.287 0.235 0.000 0.947 395 K CB 0.659 33.173 32.500 0.023 0.000 1.007 395 K HN 0.170 nan 8.250 nan 0.000 0.478 396 P HA 0.138 nan 4.420 nan 0.000 0.276 396 P C -0.380 177.058 177.300 0.229 0.000 1.264 396 P CA -0.318 62.853 63.100 0.119 0.000 0.769 396 P CB 1.165 32.950 31.700 0.141 0.000 0.840 397 G N 2.646 111.627 108.800 0.302 0.000 2.272 397 G HA2 0.323 4.283 3.960 -0.000 0.000 0.247 397 G HA3 0.323 4.283 3.960 -0.000 0.000 0.247 397 G C 1.047 176.249 174.900 0.505 0.000 1.272 397 G CA 0.450 45.775 45.100 0.375 0.000 0.921 397 G HN 0.786 nan 8.290 nan 0.000 0.495 398 G N 1.860 110.740 108.800 0.134 0.000 2.391 398 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.204 398 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.204 398 G C 0.292 174.872 174.900 -0.534 0.000 1.012 398 G CA 0.030 44.876 45.100 -0.424 0.000 0.651 398 G HN 0.728 nan 8.290 nan 0.000 0.494 399 E N 1.059 121.221 120.200 -0.062 0.000 2.217 399 E HA 0.414 4.764 4.350 -0.000 0.000 0.279 399 E C 0.603 177.175 176.600 -0.046 0.000 1.068 399 E CA -0.305 56.128 56.400 0.055 0.000 0.882 399 E CB 1.292 31.100 29.700 0.180 0.000 1.039 399 E HN 0.371 nan 8.360 nan 0.000 0.418 400 C N 3.555 122.846 119.300 -0.015 0.000 2.702 400 C HA -0.058 4.402 4.460 -0.000 0.000 0.411 400 C C 1.327 176.281 174.990 -0.059 0.000 1.286 400 C CA -0.117 58.881 59.018 -0.034 0.000 1.979 400 C CB -0.143 27.559 27.740 -0.063 0.000 2.728 400 C HN 0.770 nan 8.230 nan 0.000 0.652 401 D N 0.946 121.316 120.400 -0.050 0.000 2.301 401 D HA 0.248 4.888 4.640 -0.000 0.000 0.206 401 D C 0.669 177.068 176.300 0.164 0.000 0.979 401 D CA 1.268 55.305 54.000 0.061 0.000 0.874 401 D CB 0.369 41.252 40.800 0.137 0.000 0.968 401 D HN 0.884 nan 8.370 nan 0.000 0.510 402 G N -0.437 108.401 108.800 0.063 0.000 2.404 402 G HA2 0.208 4.168 3.960 -0.000 0.000 0.298 402 G HA3 0.208 4.168 3.960 -0.000 0.000 0.298 402 G C -1.049 173.848 174.900 -0.004 0.000 1.577 402 G CA -0.683 44.467 45.100 0.084 0.000 0.847 402 G HN -0.117 nan 8.290 nan 0.000 0.598 403 T N -0.711 113.868 114.554 0.040 0.000 2.899 403 T HA 0.461 4.811 4.350 -0.000 0.000 0.295 403 T C 1.660 176.456 174.700 0.160 0.000 1.033 403 T CA 0.684 62.807 62.100 0.038 0.000 1.084 403 T CB 0.702 69.614 68.868 0.072 0.000 0.979 403 T HN 1.431 nan 8.240 nan 0.000 0.532 404 S N 1.797 117.560 115.700 0.106 0.000 2.540 404 S HA 0.141 4.611 4.470 -0.000 0.000 0.218 404 S C 0.281 174.951 174.600 0.117 0.000 0.977 404 S CA -0.477 57.859 58.200 0.228 0.000 0.918 404 S CB 0.040 63.280 63.200 0.067 0.000 0.806 404 S HN 0.734 nan 8.310 nan 0.000 0.496 405 D N 3.110 123.520 120.400 0.017 0.000 2.359 405 D HA 0.205 4.845 4.640 -0.000 0.000 0.250 405 D C 1.254 177.227 176.300 -0.546 0.000 1.264 405 D CA 0.130 54.021 54.000 -0.182 0.000 0.911 405 D CB 1.049 41.798 40.800 -0.085 0.000 1.056 405 D HN 0.260 nan 8.370 nan 0.000 0.499 406 S N 1.628 116.736 115.700 -0.987 0.000 2.547 406 S HA -0.153 4.317 4.470 -0.000 0.000 0.235 406 S C 1.555 175.791 174.600 -0.607 0.000 0.980 406 S CA 0.770 58.059 58.200 -1.518 0.000 0.941 406 S CB -0.303 62.280 63.200 -1.028 0.000 0.763 406 S HN 0.375 nan 8.310 nan 0.000 0.532 407 S N 0.563 116.063 115.700 -0.333 0.000 2.535 407 S HA 0.591 5.060 4.470 -0.000 0.000 0.214 407 S C 0.732 175.288 174.600 -0.073 0.000 0.980 407 S CA -0.071 58.036 58.200 -0.155 0.000 0.907 407 S CB -0.236 62.896 63.200 -0.114 0.000 0.790 407 S HN 0.708 nan 8.310 nan 0.000 0.510 408 A N 3.704 126.489 122.820 -0.059 0.000 2.371 408 A HA 0.582 4.902 4.320 -0.000 0.000 0.257 408 A C -2.208 175.429 177.584 0.089 0.000 1.089 408 A CA -1.558 50.496 52.037 0.028 0.000 0.794 408 A CB -0.218 18.817 19.000 0.058 0.000 1.029 408 A HN 0.392 nan 8.150 nan 0.000 0.488 409 P HA 0.256 nan 4.420 nan 0.000 0.276 409 P C -0.314 177.053 177.300 0.113 0.000 1.230 409 P CA -0.082 63.069 63.100 0.085 0.000 0.776 409 P CB 0.737 32.471 31.700 0.055 0.000 0.888 410 R N -0.930 119.644 120.500 0.124 0.000 3.908 410 R HA -0.190 4.150 4.340 -0.000 0.000 0.381 410 R C 0.219 176.612 176.300 0.154 0.000 1.135 410 R CA 0.114 56.284 56.100 0.116 0.000 0.990 410 R CB -2.592 27.759 30.300 0.085 0.000 1.557 410 R HN 0.481 nan 8.270 nan 0.000 0.535 411 F N 2.539 122.522 119.950 0.054 0.000 2.572 411 F HA 0.122 4.649 4.527 -0.000 0.000 0.370 411 F C 0.511 176.366 175.800 0.092 0.000 1.103 411 F CA 0.031 58.066 58.000 0.059 0.000 1.286 411 F CB 0.529 39.547 39.000 0.030 0.000 1.105 411 F HN -0.023 nan 8.300 nan 0.000 0.583 412 D N 3.956 123.905 120.400 -0.751 0.000 2.408 412 D HA 0.111 4.751 4.640 -0.000 0.000 0.243 412 D C 0.746 176.457 176.300 -0.981 0.000 1.075 412 D CA 0.053 53.740 54.000 -0.522 0.000 0.832 412 D CB 1.956 42.797 40.800 0.069 0.000 1.162 412 D HN 0.699 nan 8.370 nan 0.000 0.515 413 S N 3.017 118.294 115.700 -0.704 0.000 2.465 413 S HA -0.234 4.236 4.470 -0.000 0.000 0.241 413 S C 1.339 175.723 174.600 -0.360 0.000 1.000 413 S CA 1.032 58.946 58.200 -0.477 0.000 0.964 413 S CB -0.508 62.571 63.200 -0.201 0.000 0.763 413 S HN 0.608 nan 8.310 nan 0.000 0.512 414 H N 0.108 119.021 119.070 -0.261 0.000 2.489 414 H HA 0.115 4.671 4.556 -0.000 0.000 0.293 414 H C 1.691 176.753 175.328 -0.443 0.000 1.066 414 H CA 1.245 57.100 56.048 -0.322 0.000 1.305 414 H CB -0.448 29.083 29.762 -0.384 0.000 1.386 414 H HN 0.497 nan 8.280 nan 0.000 0.551 415 c N -0.096 118.308 118.600 -0.327 0.000 2.576 415 c HA 0.386 4.956 4.570 -0.000 0.000 0.267 415 c C 2.175 176.227 174.090 -0.063 0.000 1.364 415 c CA 0.589 56.768 56.329 -0.250 0.000 1.723 415 c CB -1.040 41.351 42.510 -0.199 0.000 1.778 415 c HN 0.625 nan 8.230 nan 0.000 0.572 416 A N -0.512 122.292 122.820 -0.026 0.000 2.508 416 A HA 0.444 4.764 4.320 -0.000 0.000 0.257 416 A C 0.509 178.092 177.584 -0.002 0.000 1.226 416 A CA -0.101 51.980 52.037 0.073 0.000 0.947 416 A CB 0.019 19.172 19.000 0.256 0.000 1.079 416 A HN 0.491 nan 8.150 nan 0.000 0.531 417 L N -0.170 121.012 121.223 -0.067 0.000 2.464 417 L HA 0.156 4.496 4.340 -0.000 0.000 0.264 417 L C -1.359 175.478 176.870 -0.055 0.000 1.199 417 L CA -1.564 53.232 54.840 -0.074 0.000 0.818 417 L CB 0.582 42.576 42.059 -0.109 0.000 1.102 417 L HN 0.037 nan 8.230 nan 0.000 0.473 418 P HA -0.165 nan 4.420 nan 0.000 0.220 418 P C 0.225 177.494 177.300 -0.051 0.000 1.144 418 P CA 1.074 64.150 63.100 -0.040 0.000 0.800 418 P CB 0.016 31.695 31.700 -0.034 0.000 0.772 419 D N -1.902 118.455 120.400 -0.072 0.000 2.388 419 D HA 0.234 4.874 4.640 -0.000 0.000 0.221 419 D C 0.092 176.327 176.300 -0.109 0.000 1.133 419 D CA -0.518 53.424 54.000 -0.096 0.000 0.831 419 D CB -0.387 40.343 40.800 -0.118 0.000 0.962 419 D HN -0.022 nan 8.370 nan 0.000 0.502 420 A N 0.546 123.318 122.820 -0.080 0.000 2.318 420 A HA 0.553 4.873 4.320 -0.000 0.000 0.324 420 A C -0.671 176.929 177.584 0.026 0.000 1.170 420 A CA -0.858 51.145 52.037 -0.058 0.000 0.810 420 A CB 0.917 19.852 19.000 -0.108 0.000 1.198 420 A HN 0.243 nan 8.150 nan 0.000 0.484 421 L N 2.106 123.400 121.223 0.118 0.000 2.462 421 L HA 0.321 4.661 4.340 -0.000 0.000 0.272 421 L C 0.169 177.220 176.870 0.302 0.000 1.166 421 L CA 1.316 56.270 54.840 0.190 0.000 0.880 421 L CB 0.272 42.458 42.059 0.212 0.000 1.142 421 L HN 0.810 nan 8.230 nan 0.000 0.473 422 Q N 5.055 124.985 119.800 0.216 0.000 2.456 422 Q HA 0.592 4.932 4.340 -0.000 0.000 0.283 422 Q C -2.331 173.761 176.000 0.152 0.000 1.084 422 Q CA -1.746 54.152 55.803 0.159 0.000 0.801 422 Q CB 1.359 30.137 28.738 0.066 0.000 1.434 422 Q HN 0.556 nan 8.270 nan 0.000 0.419 423 P HA 0.400 nan 4.420 nan 0.000 0.279 423 P C -1.586 175.601 177.300 -0.188 0.000 1.239 423 P CA -0.280 62.812 63.100 -0.013 0.000 0.789 423 P CB 1.067 32.755 31.700 -0.020 0.000 0.933 424 A N 4.642 127.252 122.820 -0.350 0.000 2.350 424 A HA 0.737 5.057 4.320 -0.000 0.000 0.324 424 A C -2.452 174.836 177.584 -0.493 0.000 1.118 424 A CA -1.732 49.793 52.037 -0.853 0.000 0.783 424 A CB 1.300 19.886 19.000 -0.689 0.000 1.236 424 A HN 0.434 nan 8.150 nan 0.000 0.457 425 P HA 0.140 nan 4.420 nan 0.000 0.289 425 P C -0.598 176.624 177.300 -0.131 0.000 1.299 425 P CA -0.369 62.596 63.100 -0.225 0.000 0.766 425 P CB 0.498 32.099 31.700 -0.164 0.000 1.226 426 Q N -0.713 119.062 119.800 -0.042 0.000 2.428 426 Q HA 0.183 4.522 4.340 -0.000 0.000 0.276 426 Q C 0.200 176.208 176.000 0.013 0.000 1.059 426 Q CA 0.286 56.094 55.803 0.008 0.000 0.923 426 Q CB 0.190 28.948 28.738 0.033 0.000 1.283 426 Q HN 0.516 nan 8.270 nan 0.000 0.447 427 A N 1.047 123.891 122.820 0.040 0.000 2.565 427 A HA 0.343 4.663 4.320 -0.000 0.000 0.237 427 A C 1.253 178.866 177.584 0.048 0.000 1.053 427 A CA 0.948 53.012 52.037 0.045 0.000 0.755 427 A CB -0.436 18.610 19.000 0.078 0.000 0.980 427 A HN 0.997 nan 8.150 nan 0.000 0.506 428 G N 0.987 109.805 108.800 0.029 0.000 2.320 428 G HA2 0.096 4.056 3.960 -0.000 0.000 0.242 428 G HA3 0.096 4.056 3.960 -0.000 0.000 0.242 428 G C 0.770 175.756 174.900 0.143 0.000 1.033 428 G CA 0.635 45.778 45.100 0.070 0.000 0.620 428 G HN 2.288 nan 8.290 nan 0.000 0.517 429 A N 0.664 123.554 122.820 0.116 0.000 2.386 429 A HA 0.454 4.774 4.320 -0.000 0.000 0.248 429 A C 0.473 178.181 177.584 0.207 0.000 1.082 429 A CA 0.255 52.385 52.037 0.156 0.000 0.789 429 A CB 0.163 19.220 19.000 0.094 0.000 1.025 429 A HN 0.955 nan 8.150 nan 0.000 0.490 430 W N 2.793 124.131 121.300 0.063 0.000 2.251 430 W HA 0.273 4.932 4.660 -0.000 0.000 0.327 430 W C -1.346 175.286 176.519 0.189 0.000 1.361 430 W CA 0.154 57.554 57.345 0.092 0.000 1.234 430 W CB 0.577 30.041 29.460 0.006 0.000 1.212 430 W HN 0.476 nan 8.180 nan 0.000 0.557 431 F N 7.126 126.725 119.950 -0.584 0.000 2.363 431 F HA 0.108 4.635 4.527 0.000 0.000 0.366 431 F C 1.073 176.617 175.800 -0.426 0.000 1.083 431 F CA -1.285 56.513 58.000 -0.335 0.000 1.176 431 F CB 0.448 39.315 39.000 -0.223 0.000 1.432 431 F HN 0.483 nan 8.300 nan 0.000 0.482 432 Q N 4.565 124.393 119.800 0.047 0.000 2.062 432 Q HA -0.184 4.156 4.340 -0.000 0.000 0.209 432 Q C 1.953 177.972 176.000 0.030 0.000 0.996 432 Q CA 2.775 58.653 55.803 0.126 0.000 0.859 432 Q CB -0.169 28.747 28.738 0.296 0.000 0.920 432 Q HN 0.681 nan 8.270 nan 0.000 0.415 433 A N -1.100 121.695 122.820 -0.040 0.000 1.978 433 A HA -0.190 4.130 4.320 -0.000 0.000 0.220 433 A C 1.992 179.287 177.584 -0.482 0.000 1.170 433 A CA 1.536 53.453 52.037 -0.200 0.000 0.636 433 A CB -0.931 18.011 19.000 -0.097 0.000 0.810 433 A HN 0.635 nan 8.150 nan 0.000 0.448 434 Y N -1.654 118.045 120.300 -1.001 0.000 2.286 434 Y HA -0.050 4.500 4.550 0.000 0.000 0.293 434 Y C 1.927 177.531 175.900 -0.493 0.000 1.124 434 Y CA 1.503 59.082 58.100 -0.868 0.000 1.178 434 Y CB -0.295 37.500 38.460 -1.108 0.000 1.010 434 Y HN 0.372 nan 8.280 nan 0.000 0.536 435 F N -0.411 119.314 119.950 -0.376 0.000 2.134 435 F HA -0.208 4.319 4.527 -0.000 0.000 0.299 435 F C 2.023 177.720 175.800 -0.172 0.000 1.097 435 F CA 1.665 59.531 58.000 -0.222 0.000 1.264 435 F CB -0.767 38.176 39.000 -0.094 0.000 1.001 435 F HN -0.154 nan 8.300 nan 0.000 0.479 436 V N 0.750 120.569 119.914 -0.159 0.000 2.407 436 V HA -0.324 3.796 4.120 -0.000 0.000 0.248 436 V C 2.447 178.341 176.094 -0.333 0.000 1.055 436 V CA 2.199 64.377 62.300 -0.203 0.000 1.049 436 V CB -0.912 30.878 31.823 -0.054 0.000 0.662 436 V HN 0.513 nan 8.190 nan 0.000 0.455 437 Q N -0.228 119.311 119.800 -0.435 0.000 2.084 437 Q HA -0.195 4.145 4.340 -0.000 0.000 0.202 437 Q C 2.272 177.938 176.000 -0.557 0.000 0.978 437 Q CA 1.815 57.322 55.803 -0.494 0.000 0.844 437 Q CB -0.142 28.189 28.738 -0.678 0.000 0.898 437 Q HN 0.606 nan 8.270 nan 0.000 0.426 438 L N 0.292 121.055 121.223 -0.766 0.000 2.017 438 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 438 L C 2.514 178.943 176.870 -0.734 0.000 1.073 438 L CA 0.596 54.842 54.840 -0.990 0.000 0.745 438 L CB -0.474 40.577 42.059 -1.680 0.000 0.894 438 L HN 0.327 nan 8.230 nan 0.000 0.432 439 L N -0.535 120.365 121.223 -0.538 0.000 2.046 439 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 439 L C 2.454 179.319 176.870 -0.007 0.000 1.077 439 L CA 2.078 56.879 54.840 -0.064 0.000 0.747 439 L CB -0.822 41.073 42.059 -0.273 0.000 0.896 439 L HN 0.144 nan 8.230 nan 0.000 0.432 440 T N 0.187 114.665 114.554 -0.128 0.000 2.746 440 T HA -0.101 4.249 4.350 -0.000 0.000 0.267 440 T C 1.350 176.015 174.700 -0.058 0.000 1.039 440 T CA 1.575 63.628 62.100 -0.079 0.000 1.142 440 T CB -0.256 68.540 68.868 -0.120 0.000 0.866 440 T HN 0.362 nan 8.240 nan 0.000 0.444 441 N N 1.219 119.853 118.700 -0.110 0.000 2.276 441 N HA 0.318 5.058 4.740 -0.000 0.000 0.212 441 N C 0.117 175.617 175.510 -0.016 0.000 1.127 441 N CA -0.115 52.885 53.050 -0.083 0.000 0.834 441 N CB 0.197 38.596 38.487 -0.146 0.000 1.014 441 N HN 0.337 nan 8.380 nan 0.000 0.491 442 A N 1.394 124.263 122.820 0.082 0.000 2.511 442 A HA 0.207 4.527 4.320 -0.000 0.000 0.242 442 A C 0.366 178.030 177.584 0.134 0.000 1.069 442 A CA 0.181 52.356 52.037 0.229 0.000 0.763 442 A CB 0.061 19.398 19.000 0.562 0.000 1.001 442 A HN 0.249 nan 8.150 nan 0.000 0.498 443 N N 2.327 121.098 118.700 0.119 0.000 2.599 443 N HA 0.355 5.095 4.740 -0.000 0.000 0.283 443 N C -3.191 172.345 175.510 0.043 0.000 1.160 443 N CA -1.523 51.556 53.050 0.049 0.000 0.869 443 N CB 2.129 40.636 38.487 0.033 0.000 1.448 443 N HN 0.371 nan 8.380 nan 0.000 0.535 444 P HA 0.034 nan 4.420 nan 0.000 0.267 444 P C 0.057 177.279 177.300 -0.131 0.000 1.200 444 P CA -0.044 63.006 63.100 -0.083 0.000 0.772 444 P CB 0.779 32.397 31.700 -0.136 0.000 0.855 445 S N 1.264 116.910 115.700 -0.089 0.000 2.584 445 S HA 0.162 4.632 4.470 -0.000 0.000 0.270 445 S C 0.582 175.085 174.600 -0.162 0.000 1.346 445 S CA -0.248 57.930 58.200 -0.037 0.000 1.018 445 S CB -0.309 62.898 63.200 0.012 0.000 0.899 445 S HN 0.316 nan 8.310 nan 0.000 0.542 446 F N 1.485 121.476 119.950 0.069 0.000 2.653 446 F HA 0.402 4.929 4.527 -0.000 0.000 0.288 446 F C 0.855 176.680 175.800 0.042 0.000 1.121 446 F CA -0.103 57.930 58.000 0.055 0.000 1.384 446 F CB 0.081 39.124 39.000 0.072 0.000 1.115 446 F HN 0.327 nan 8.300 nan 0.000 0.599 447 L N 0.000 121.345 121.223 0.204 0.000 2.949 447 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 447 L CA 0.000 54.913 54.840 0.122 0.000 0.813 447 L CB 0.000 42.117 42.059 0.097 0.000 0.961 447 L HN 0.000 nan 8.230 nan 0.000 0.502