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 1un0_1_A DATA FIRST_RESID 88 DATA SEQUENCE ELPQMTQQLN SDDMQEQLSA TVKFRQILSR EHRPPIDVVI QAGVVPRLVE DATA SEQUENCE FMRENQPEML QLEAAWALTN IASGTSAQTK VVVDADAVPL FIQLLYTGSV DATA SEQUENCE EVKEQAIWAL GNVAGDSTDY RDYVLQCNAM EPILGLFNSN KPSLIRTATW DATA SEQUENCE TLSNLCRGKK PQPDWSVVSQ ALPTLAKLIY SMDTETLVDA CWAISYLSDG DATA SEQUENCE PQEAIQAVID VRIPKRLVEL LSHESTLVQT PALRAVGNIV TGNDLQTQVV DATA SEQUENCE INAGVLPALR LLLSSPKENI KKEACWTISN ITAGNTEQIQ AVIDANLIPP DATA SEQUENCE LVKLLEVAED KTKKEACWAI SNASSGGLQR PDIIRYLVSQ GCIKPLCDLL DATA SEQUENCE EIADNRIIEV TLDALENILK MGEADKEARG LNINENADFI EKAGGMEKIF DATA SEQUENCE NCQQNENDKI YEKAYKIIET YFGEEEDAVD ETMAPQNAGN 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 88 E HA 0.000 nan 4.350 nan 0.000 0.291 88 E C 0.000 176.551 176.600 -0.082 0.000 1.382 88 E CA 0.000 56.366 56.400 -0.057 0.000 0.976 88 E CB 0.000 29.662 29.700 -0.063 0.000 0.812 89 L N 0.853 122.032 121.223 -0.073 0.000 2.269 89 L HA 0.305 4.644 4.340 -0.001 0.000 0.200 89 L C -1.332 175.520 176.870 -0.029 0.000 1.069 89 L CA 1.045 55.831 54.840 -0.090 0.000 0.804 89 L CB -0.441 41.575 42.059 -0.073 0.000 0.987 89 L HN 0.021 nan 8.230 nan 0.000 0.468 90 P HA -0.191 nan 4.420 nan 0.000 0.217 90 P C 1.368 178.683 177.300 0.025 0.000 1.148 90 P CA 1.408 64.521 63.100 0.021 0.000 0.828 90 P CB 0.018 31.725 31.700 0.012 0.000 0.783 91 Q N -1.134 118.669 119.800 0.005 0.000 2.020 91 Q HA -0.135 4.204 4.340 -0.001 0.000 0.202 91 Q C 2.231 178.247 176.000 0.026 0.000 0.982 91 Q CA 1.550 57.358 55.803 0.008 0.000 0.838 91 Q CB -0.577 28.156 28.738 -0.010 0.000 0.899 91 Q HN 0.273 nan 8.270 nan 0.000 0.423 92 M N -0.000 119.599 119.600 -0.002 0.000 2.108 92 M HA -0.178 4.301 4.480 -0.001 0.000 0.261 92 M C 2.175 178.610 176.300 0.226 0.000 1.066 92 M CA 1.489 56.808 55.300 0.032 0.000 1.107 92 M CB -0.391 32.064 32.600 -0.241 0.000 1.356 92 M HN 0.197 nan 8.290 nan 0.000 0.406 93 T N 0.189 114.873 114.554 0.218 0.000 2.803 93 T HA -0.188 4.162 4.350 -0.001 0.000 0.269 93 T C 1.758 176.529 174.700 0.119 0.000 1.052 93 T CA 1.310 63.541 62.100 0.218 0.000 1.136 93 T CB -0.239 68.717 68.868 0.146 0.000 0.864 93 T HN 0.523 nan 8.240 nan 0.000 0.467 94 Q N 0.475 120.329 119.800 0.091 0.000 2.137 94 Q HA -0.010 4.329 4.340 -0.001 0.000 0.198 94 Q C 2.439 178.484 176.000 0.076 0.000 0.960 94 Q CA 0.767 56.609 55.803 0.065 0.000 0.847 94 Q CB -0.154 28.611 28.738 0.045 0.000 0.915 94 Q HN 0.532 nan 8.270 nan 0.000 0.448 95 Q N 0.613 120.468 119.800 0.092 0.000 2.291 95 Q HA -0.144 4.195 4.340 -0.001 0.000 0.206 95 Q C 1.679 177.760 176.000 0.136 0.000 0.976 95 Q CA 0.686 56.548 55.803 0.098 0.000 0.875 95 Q CB 0.139 28.931 28.738 0.091 0.000 0.927 95 Q HN 0.269 nan 8.270 nan 0.000 0.450 96 L N 0.638 121.957 121.223 0.161 0.000 2.554 96 L HA 0.030 4.369 4.340 -0.001 0.000 0.226 96 L C 0.707 177.654 176.870 0.128 0.000 1.137 96 L CA 0.747 55.684 54.840 0.162 0.000 0.863 96 L CB 0.176 42.276 42.059 0.067 0.000 0.985 96 L HN 0.140 nan 8.230 nan 0.000 0.451 97 N N -1.812 116.945 118.700 0.095 0.000 2.282 97 N HA 0.061 4.800 4.740 -0.001 0.000 0.185 97 N C 0.523 176.083 175.510 0.083 0.000 1.099 97 N CA 0.235 53.330 53.050 0.074 0.000 0.878 97 N CB 0.151 38.662 38.487 0.041 0.000 0.993 97 N HN 0.138 nan 8.380 nan 0.000 0.481 98 S N 0.600 116.351 115.700 0.085 0.000 2.552 98 S HA -0.027 4.443 4.470 -0.001 0.000 0.289 98 S C 0.555 175.192 174.600 0.062 0.000 1.304 98 S CA -0.161 58.077 58.200 0.064 0.000 1.063 98 S CB 0.486 63.721 63.200 0.059 0.000 0.848 98 S HN 0.121 nan 8.310 nan 0.000 0.499 99 D N 1.984 122.408 120.400 0.040 0.000 2.348 99 D HA 0.028 4.667 4.640 -0.001 0.000 0.216 99 D C 0.047 176.352 176.300 0.008 0.000 0.970 99 D CA 0.625 54.641 54.000 0.027 0.000 0.889 99 D CB 0.004 40.816 40.800 0.019 0.000 0.912 99 D HN 0.683 nan 8.370 nan 0.000 0.524 100 D N 0.293 120.699 120.400 0.010 0.000 2.382 100 D HA -0.049 4.590 4.640 -0.001 0.000 0.259 100 D C 1.255 177.544 176.300 -0.018 0.000 1.224 100 D CA 0.103 54.102 54.000 -0.002 0.000 0.894 100 D CB 0.591 41.394 40.800 0.006 0.000 1.127 100 D HN -0.106 nan 8.370 nan 0.000 0.487 101 M N 2.674 122.249 119.600 -0.042 0.000 2.202 101 M HA -0.178 4.301 4.480 -0.001 0.000 0.262 101 M C 1.684 177.946 176.300 -0.062 0.000 1.063 101 M CA 1.234 56.485 55.300 -0.081 0.000 1.097 101 M CB -0.618 31.930 32.600 -0.085 0.000 1.382 101 M HN 0.527 nan 8.290 nan 0.000 0.413 102 Q N 1.097 120.878 119.800 -0.031 0.000 2.084 102 Q HA -0.153 4.186 4.340 -0.001 0.000 0.202 102 Q C 1.735 177.735 176.000 0.001 0.000 0.978 102 Q CA 1.707 57.501 55.803 -0.015 0.000 0.844 102 Q CB -0.069 28.665 28.738 -0.007 0.000 0.898 102 Q HN 0.399 nan 8.270 nan 0.000 0.426 103 E N -0.077 120.130 120.200 0.012 0.000 2.122 103 E HA -0.106 4.244 4.350 -0.001 0.000 0.190 103 E C 2.026 178.667 176.600 0.067 0.000 0.977 103 E CA 0.680 57.103 56.400 0.038 0.000 0.820 103 E CB -0.096 29.629 29.700 0.042 0.000 0.770 103 E HN 0.562 nan 8.360 nan 0.000 0.462 104 Q N 0.472 120.304 119.800 0.054 0.000 2.133 104 Q HA -0.206 4.133 4.340 -0.001 0.000 0.208 104 Q C 2.302 178.368 176.000 0.109 0.000 0.991 104 Q CA 1.324 57.186 55.803 0.099 0.000 0.867 104 Q CB -0.193 28.473 28.738 -0.121 0.000 0.911 104 Q HN 0.133 nan 8.270 nan 0.000 0.417 105 L N -0.151 121.080 121.223 0.013 0.000 2.007 105 L HA -0.148 4.191 4.340 -0.001 0.000 0.205 105 L C 2.417 179.336 176.870 0.082 0.000 1.073 105 L CA 1.892 56.753 54.840 0.036 0.000 0.744 105 L CB -0.789 41.269 42.059 -0.002 0.000 0.898 105 L HN 0.058 nan 8.230 nan 0.000 0.435 106 S N -0.801 114.936 115.700 0.062 0.000 2.380 106 S HA -0.290 4.179 4.470 -0.001 0.000 0.229 106 S C 2.075 176.729 174.600 0.091 0.000 1.043 106 S CA 1.592 59.828 58.200 0.059 0.000 1.038 106 S CB -0.508 62.717 63.200 0.042 0.000 0.872 106 S HN 0.658 nan 8.310 nan 0.000 0.456 107 A N 0.183 123.088 122.820 0.143 0.000 1.855 107 A HA -0.031 4.288 4.320 -0.001 0.000 0.215 107 A C 2.380 180.165 177.584 0.334 0.000 1.191 107 A CA 2.113 54.284 52.037 0.223 0.000 0.613 107 A CB -1.553 17.606 19.000 0.264 0.000 0.829 107 A HN 0.566 nan 8.150 nan 0.000 0.442 108 T N -0.103 114.631 114.554 0.299 0.000 2.778 108 T HA -0.129 4.220 4.350 -0.001 0.000 0.269 108 T C 1.771 176.588 174.700 0.195 0.000 1.050 108 T CA 1.634 63.896 62.100 0.270 0.000 1.137 108 T CB -0.363 68.690 68.868 0.308 0.000 0.860 108 T HN 0.158 nan 8.240 nan 0.000 0.468 109 V N 0.666 120.657 119.914 0.128 0.000 2.667 109 V HA -0.043 4.076 4.120 -0.001 0.000 0.252 109 V C 2.383 178.474 176.094 -0.006 0.000 1.065 109 V CA 1.336 63.658 62.300 0.036 0.000 1.083 109 V CB -0.360 31.477 31.823 0.023 0.000 0.692 109 V HN 0.316 nan 8.190 nan 0.000 0.468 110 K N -0.323 120.093 120.400 0.027 0.000 2.116 110 K HA -0.004 4.315 4.320 -0.001 0.000 0.203 110 K C 1.850 178.385 176.600 -0.109 0.000 1.052 110 K CA 1.213 57.462 56.287 -0.064 0.000 0.952 110 K CB -0.293 32.150 32.500 -0.095 0.000 0.729 110 K HN 0.322 nan 8.250 nan 0.000 0.446 111 F N 1.189 121.105 119.950 -0.056 0.000 2.046 111 F HA -0.210 4.316 4.527 -0.002 0.000 0.297 111 F C 2.549 178.285 175.800 -0.106 0.000 1.123 111 F CA 1.593 59.556 58.000 -0.062 0.000 1.199 111 F CB -0.281 38.693 39.000 -0.043 0.000 0.972 111 F HN 0.008 nan 8.300 nan 0.000 0.474 112 R N 0.943 121.475 120.500 0.053 0.000 2.154 112 R HA -0.237 4.102 4.340 -0.001 0.000 0.248 112 R C 1.895 178.023 176.300 -0.287 0.000 1.155 112 R CA 2.091 58.077 56.100 -0.191 0.000 0.979 112 R CB -0.579 29.503 30.300 -0.364 0.000 0.869 112 R HN 0.457 nan 8.270 nan 0.000 0.452 113 Q N -0.060 119.613 119.800 -0.211 0.000 2.096 113 Q HA -0.054 4.285 4.340 -0.001 0.000 0.197 113 Q C 2.245 178.166 176.000 -0.132 0.000 0.964 113 Q CA 1.630 57.314 55.803 -0.198 0.000 0.838 113 Q CB -0.117 28.530 28.738 -0.151 0.000 0.906 113 Q HN 0.538 nan 8.270 nan 0.000 0.444 114 I N -1.957 118.547 120.570 -0.110 0.000 2.353 114 I HA -0.174 3.995 4.170 -0.001 0.000 0.248 114 I C 1.834 177.923 176.117 -0.047 0.000 1.119 114 I CA 1.083 62.333 61.300 -0.083 0.000 1.417 114 I CB -0.449 37.488 38.000 -0.105 0.000 1.078 114 I HN 0.067 nan 8.210 nan 0.000 0.421 115 L N 0.882 122.086 121.223 -0.032 0.000 2.450 115 L HA -0.083 4.256 4.340 -0.001 0.000 0.224 115 L C 2.104 178.973 176.870 -0.002 0.000 1.149 115 L CA 0.753 55.597 54.840 0.006 0.000 0.816 115 L CB -0.441 41.638 42.059 0.033 0.000 0.932 115 L HN 0.293 nan 8.230 nan 0.000 0.449 116 S N -1.392 114.280 115.700 -0.047 0.000 2.517 116 S HA 0.057 4.526 4.470 -0.001 0.000 0.214 116 S C 0.915 175.508 174.600 -0.013 0.000 0.991 116 S CA -0.386 57.802 58.200 -0.020 0.000 0.906 116 S CB -0.003 63.155 63.200 -0.070 0.000 0.789 116 S HN 0.299 nan 8.310 nan 0.000 0.513 117 R N 2.004 122.487 120.500 -0.028 0.000 2.500 117 R HA -0.099 4.240 4.340 -0.001 0.000 0.281 117 R C 1.336 177.617 176.300 -0.032 0.000 0.953 117 R CA 0.345 56.422 56.100 -0.038 0.000 1.108 117 R CB 0.332 30.619 30.300 -0.022 0.000 0.901 117 R HN 0.045 nan 8.270 nan 0.000 0.410 118 E N 2.578 122.712 120.200 -0.109 0.000 2.072 118 E HA -0.121 4.228 4.350 -0.001 0.000 0.191 118 E C -0.318 176.292 176.600 0.016 0.000 0.985 118 E CA 1.561 57.888 56.400 -0.121 0.000 0.801 118 E CB 0.116 29.625 29.700 -0.318 0.000 0.750 118 E HN 0.544 nan 8.360 nan 0.000 0.452 119 H N 0.585 119.664 119.070 0.014 0.000 2.640 119 H HA 0.371 4.926 4.556 -0.001 0.000 0.297 119 H C -0.195 175.140 175.328 0.012 0.000 1.073 119 H CA -0.098 55.958 56.048 0.013 0.000 1.305 119 H CB 0.969 30.736 29.762 0.008 0.000 1.404 119 H HN 0.017 nan 8.280 nan 0.000 0.459 120 R N 1.567 122.150 120.500 0.139 0.000 3.201 120 R HA -0.117 4.222 4.340 -0.001 0.000 0.254 120 R C -2.763 173.575 176.300 0.063 0.000 0.978 120 R CA -0.308 55.840 56.100 0.079 0.000 0.661 120 R CB -2.328 28.009 30.300 0.062 0.000 1.170 120 R HN 0.449 nan 8.270 nan 0.000 0.430 121 P HA 0.044 nan 4.420 nan 0.000 0.264 121 P C -2.212 175.112 177.300 0.041 0.000 1.179 121 P CA -0.822 62.306 63.100 0.047 0.000 0.763 121 P CB 0.340 32.075 31.700 0.057 0.000 0.806 122 P HA 0.191 nan 4.420 nan 0.000 0.235 122 P C 0.713 178.041 177.300 0.047 0.000 1.725 122 P CA 0.140 63.258 63.100 0.030 0.000 0.894 122 P CB -0.546 31.161 31.700 0.012 0.000 1.704 123 I N 0.482 121.084 120.570 0.052 0.000 2.179 123 I HA -0.254 3.915 4.170 -0.001 0.000 0.242 123 I C 2.138 178.287 176.117 0.055 0.000 1.088 123 I CA 1.521 62.858 61.300 0.061 0.000 1.357 123 I CB -0.577 37.460 38.000 0.062 0.000 1.051 123 I HN 0.135 nan 8.210 nan 0.000 0.409 124 D N 1.366 121.792 120.400 0.044 0.000 2.106 124 D HA -0.172 4.467 4.640 -0.001 0.000 0.191 124 D C 2.120 178.443 176.300 0.039 0.000 0.997 124 D CA 1.496 55.518 54.000 0.036 0.000 0.834 124 D CB -1.128 39.689 40.800 0.028 0.000 0.956 124 D HN 0.237 nan 8.370 nan 0.000 0.448 125 V N 0.658 120.596 119.914 0.039 0.000 2.343 125 V HA -0.211 3.908 4.120 -0.001 0.000 0.247 125 V C 2.897 179.032 176.094 0.067 0.000 1.051 125 V CA 1.451 63.775 62.300 0.041 0.000 1.036 125 V CB -0.412 31.427 31.823 0.027 0.000 0.654 125 V HN 0.136 nan 8.190 nan 0.000 0.451 126 V N -0.319 119.652 119.914 0.095 0.000 2.427 126 V HA -0.210 3.909 4.120 -0.001 0.000 0.248 126 V C 2.178 178.336 176.094 0.106 0.000 1.051 126 V CA 1.865 64.268 62.300 0.172 0.000 1.048 126 V CB -0.442 31.522 31.823 0.235 0.000 0.666 126 V HN 0.434 nan 8.190 nan 0.000 0.456 127 I N -0.215 120.392 120.570 0.062 0.000 2.226 127 I HA -0.270 3.899 4.170 -0.001 0.000 0.245 127 I C 2.558 178.688 176.117 0.021 0.000 1.100 127 I CA 1.506 62.823 61.300 0.028 0.000 1.374 127 I CB -0.314 37.701 38.000 0.026 0.000 1.057 127 I HN 0.324 nan 8.210 nan 0.000 0.413 128 Q N 0.961 120.779 119.800 0.031 0.000 2.436 128 Q HA 0.016 4.355 4.340 -0.001 0.000 0.209 128 Q C 1.806 177.821 176.000 0.026 0.000 0.965 128 Q CA 1.074 56.891 55.803 0.023 0.000 0.910 128 Q CB -0.181 28.570 28.738 0.022 0.000 0.980 128 Q HN 0.478 nan 8.270 nan 0.000 0.491 129 A N -0.936 121.911 122.820 0.045 0.000 2.235 129 A HA 0.344 4.663 4.320 -0.001 0.000 0.208 129 A C 1.492 179.087 177.584 0.019 0.000 1.172 129 A CA 0.737 52.806 52.037 0.053 0.000 0.786 129 A CB -0.830 18.242 19.000 0.120 0.000 0.804 129 A HN 0.489 nan 8.150 nan 0.000 0.479 130 G N -1.252 107.544 108.800 -0.008 0.000 2.166 130 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.260 130 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.260 130 G C 1.059 175.906 174.900 -0.089 0.000 0.986 130 G CA 1.083 46.160 45.100 -0.039 0.000 0.683 130 G HN 1.615 nan 8.290 nan 0.000 0.527 131 V N -2.428 117.406 119.914 -0.133 0.000 3.541 131 V HA 0.255 4.374 4.120 -0.001 0.000 0.267 131 V C 2.321 178.234 176.094 -0.302 0.000 1.213 131 V CA 1.356 63.493 62.300 -0.272 0.000 1.149 131 V CB 0.025 31.554 31.823 -0.491 0.000 0.822 131 V HN 0.250 nan 8.190 nan 0.000 0.462 132 V N 1.330 121.126 119.914 -0.197 0.000 2.231 132 V HA -0.145 3.974 4.120 -0.001 0.000 0.248 132 V C 0.549 176.532 176.094 -0.184 0.000 1.054 132 V CA 3.164 65.363 62.300 -0.167 0.000 1.015 132 V CB -1.742 30.028 31.823 -0.087 0.000 0.638 132 V HN 0.522 nan 8.190 nan 0.000 0.444 133 P HA -0.176 nan 4.420 nan 0.000 0.217 133 P C 1.617 178.803 177.300 -0.190 0.000 1.148 133 P CA 1.335 64.352 63.100 -0.137 0.000 0.828 133 P CB -0.062 31.578 31.700 -0.099 0.000 0.783 134 R N 0.227 120.569 120.500 -0.264 0.000 2.066 134 R HA -0.034 4.305 4.340 -0.001 0.000 0.232 134 R C 2.135 178.037 176.300 -0.663 0.000 1.131 134 R CA 1.480 57.336 56.100 -0.406 0.000 0.955 134 R CB -1.628 28.411 30.300 -0.436 0.000 0.851 134 R HN 0.134 nan 8.270 nan 0.000 0.432 135 L N -0.318 120.554 121.223 -0.586 0.000 2.191 135 L HA -0.109 4.230 4.340 -0.001 0.000 0.212 135 L C 2.234 178.951 176.870 -0.256 0.000 1.103 135 L CA 0.684 55.215 54.840 -0.515 0.000 0.769 135 L CB -0.375 41.481 42.059 -0.339 0.000 0.908 135 L HN 0.037 nan 8.230 nan 0.000 0.438 136 V N -0.040 119.747 119.914 -0.212 0.000 2.358 136 V HA -0.249 3.870 4.120 -0.001 0.000 0.246 136 V C 2.356 178.402 176.094 -0.081 0.000 1.047 136 V CA 1.709 63.919 62.300 -0.151 0.000 1.035 136 V CB -0.361 31.380 31.823 -0.136 0.000 0.658 136 V HN 0.469 nan 8.190 nan 0.000 0.452 137 E N -0.359 119.809 120.200 -0.053 0.000 2.118 137 E HA -0.206 4.143 4.350 -0.001 0.000 0.195 137 E C 1.925 178.668 176.600 0.238 0.000 0.992 137 E CA 1.189 57.630 56.400 0.069 0.000 0.804 137 E CB -0.180 29.577 29.700 0.096 0.000 0.741 137 E HN 0.528 nan 8.360 nan 0.000 0.458 138 F N -0.034 119.881 119.950 -0.058 0.000 2.722 138 F HA 0.008 4.534 4.527 -0.001 0.000 0.298 138 F C 1.739 177.518 175.800 -0.036 0.000 1.175 138 F CA 0.752 58.728 58.000 -0.040 0.000 1.462 138 F CB -0.280 38.698 39.000 -0.036 0.000 1.111 138 F HN 0.039 nan 8.300 nan 0.000 0.592 139 M N -1.506 118.164 119.600 0.116 0.000 2.333 139 M HA 0.096 4.576 4.480 -0.001 0.000 0.257 139 M C 0.841 177.146 176.300 0.008 0.000 1.078 139 M CA 0.103 55.419 55.300 0.026 0.000 1.005 139 M CB 0.372 32.918 32.600 -0.089 0.000 1.444 139 M HN -0.237 nan 8.290 nan 0.000 0.496 140 R N 0.876 121.388 120.500 0.021 0.000 2.774 140 R HA 0.017 4.357 4.340 -0.001 0.000 0.269 140 R C 0.958 177.264 176.300 0.010 0.000 1.068 140 R CA 0.076 56.182 56.100 0.010 0.000 1.180 140 R CB 0.524 30.832 30.300 0.014 0.000 1.077 140 R HN 0.239 nan 8.270 nan 0.000 0.513 141 E N 0.946 121.150 120.200 0.006 0.000 2.085 141 E HA -0.233 4.116 4.350 -0.001 0.000 0.194 141 E C 0.614 177.213 176.600 -0.001 0.000 0.994 141 E CA 1.749 58.152 56.400 0.005 0.000 0.801 141 E CB -0.202 29.498 29.700 -0.001 0.000 0.743 141 E HN 0.577 nan 8.360 nan 0.000 0.453 142 N N 1.318 120.016 118.700 -0.004 0.000 2.581 142 N HA -0.056 4.683 4.740 -0.001 0.000 0.230 142 N C -0.458 175.038 175.510 -0.023 0.000 1.310 142 N CA 0.321 53.364 53.050 -0.011 0.000 0.886 142 N CB 0.247 38.728 38.487 -0.009 0.000 1.205 142 N HN -0.029 nan 8.380 nan 0.000 0.488 143 Q N -0.373 119.412 119.800 -0.025 0.000 2.416 143 Q HA 0.436 4.775 4.340 -0.001 0.000 0.281 143 Q C -2.775 173.200 176.000 -0.042 0.000 1.067 143 Q CA -1.867 53.906 55.803 -0.051 0.000 0.809 143 Q CB 1.565 30.274 28.738 -0.050 0.000 1.418 143 Q HN 0.118 nan 8.270 nan 0.000 0.411 144 P HA -0.083 nan 4.420 nan 0.000 0.267 144 P C 0.609 177.901 177.300 -0.014 0.000 1.201 144 P CA 0.351 63.427 63.100 -0.039 0.000 0.775 144 P CB 0.740 32.405 31.700 -0.057 0.000 0.854 145 E N 1.943 122.144 120.200 0.001 0.000 2.150 145 E HA -0.176 4.173 4.350 -0.001 0.000 0.193 145 E C 1.579 178.198 176.600 0.033 0.000 0.985 145 E CA 1.393 57.804 56.400 0.020 0.000 0.814 145 E CB -0.490 29.221 29.700 0.019 0.000 0.752 145 E HN 0.235 nan 8.360 nan 0.000 0.466 146 M N -0.339 119.276 119.600 0.025 0.000 2.419 146 M HA 0.121 4.601 4.480 -0.001 0.000 0.264 146 M C 1.541 177.873 176.300 0.053 0.000 1.082 146 M CA 0.723 56.049 55.300 0.043 0.000 1.119 146 M CB -0.108 32.511 32.600 0.031 0.000 1.398 146 M HN 0.326 nan 8.290 nan 0.000 0.453 147 L N -0.431 120.803 121.223 0.018 0.000 2.130 147 L HA -0.017 4.323 4.340 -0.001 0.000 0.200 147 L C 2.088 179.005 176.870 0.078 0.000 1.075 147 L CA 1.652 56.497 54.840 0.007 0.000 0.768 147 L CB -0.837 41.142 42.059 -0.134 0.000 0.933 147 L HN 0.326 nan 8.230 nan 0.000 0.451 148 Q N -0.681 119.157 119.800 0.062 0.000 2.118 148 Q HA -0.296 4.043 4.340 -0.001 0.000 0.211 148 Q C 2.165 178.250 176.000 0.141 0.000 0.998 148 Q CA 2.266 58.127 55.803 0.096 0.000 0.872 148 Q CB -0.604 28.174 28.738 0.066 0.000 0.925 148 Q HN 0.483 nan 8.270 nan 0.000 0.414 149 L N 1.083 122.390 121.223 0.141 0.000 1.994 149 L HA -0.188 4.151 4.340 -0.001 0.000 0.208 149 L C 2.016 179.057 176.870 0.285 0.000 1.071 149 L CA 1.917 56.870 54.840 0.188 0.000 0.745 149 L CB -0.464 41.692 42.059 0.161 0.000 0.892 149 L HN 0.091 nan 8.230 nan 0.000 0.431 150 E N 0.078 120.431 120.200 0.256 0.000 2.106 150 E HA -0.148 4.201 4.350 -0.001 0.000 0.192 150 E C 2.172 178.918 176.600 0.242 0.000 0.984 150 E CA 1.263 57.820 56.400 0.262 0.000 0.806 150 E CB -0.418 29.387 29.700 0.174 0.000 0.750 150 E HN 0.665 nan 8.360 nan 0.000 0.458 151 A N 1.581 124.540 122.820 0.232 0.000 1.873 151 A HA -0.029 4.290 4.320 -0.001 0.000 0.215 151 A C 2.441 180.142 177.584 0.196 0.000 1.186 151 A CA 1.876 54.029 52.037 0.192 0.000 0.616 151 A CB -0.580 18.557 19.000 0.228 0.000 0.823 151 A HN 0.259 nan 8.150 nan 0.000 0.442 152 A N -1.637 121.329 122.820 0.244 0.000 1.933 152 A HA -0.179 4.140 4.320 -0.001 0.000 0.218 152 A C 1.994 179.857 177.584 0.464 0.000 1.175 152 A CA 1.657 53.909 52.037 0.359 0.000 0.628 152 A CB -0.770 18.445 19.000 0.359 0.000 0.814 152 A HN 0.842 nan 8.150 nan 0.000 0.444 153 W N 0.782 122.193 121.300 0.186 0.000 2.381 153 W HA -0.005 4.654 4.660 -0.002 0.000 0.301 153 W C 2.392 179.000 176.519 0.149 0.000 1.205 153 W CA 1.210 58.647 57.345 0.153 0.000 1.285 153 W CB -0.726 28.800 29.460 0.110 0.000 1.133 153 W HN 0.378 nan 8.180 nan 0.000 0.521 154 A N 0.609 123.595 122.820 0.277 0.000 1.858 154 A HA -0.176 4.143 4.320 -0.001 0.000 0.216 154 A C 2.278 179.970 177.584 0.180 0.000 1.190 154 A CA 1.868 53.985 52.037 0.133 0.000 0.617 154 A CB -1.179 17.866 19.000 0.076 0.000 0.827 154 A HN 0.277 nan 8.150 nan 0.000 0.443 155 L N -0.720 120.630 121.223 0.210 0.000 2.127 155 L HA -0.181 4.158 4.340 -0.001 0.000 0.211 155 L C 2.759 179.797 176.870 0.279 0.000 1.089 155 L CA 1.707 56.686 54.840 0.232 0.000 0.757 155 L CB -0.669 41.563 42.059 0.289 0.000 0.899 155 L HN 0.377 nan 8.230 nan 0.000 0.434 156 T N -0.774 113.976 114.554 0.327 0.000 2.777 156 T HA -0.116 4.233 4.350 -0.001 0.000 0.266 156 T C 1.681 176.523 174.700 0.236 0.000 1.040 156 T CA 1.126 63.373 62.100 0.244 0.000 1.141 156 T CB -0.152 68.896 68.868 0.300 0.000 0.868 156 T HN 0.273 nan 8.240 nan 0.000 0.444 157 N N 1.105 119.975 118.700 0.284 0.000 2.272 157 N HA 0.005 4.744 4.740 -0.001 0.000 0.185 157 N C 1.703 177.306 175.510 0.155 0.000 1.014 157 N CA 0.842 54.029 53.050 0.229 0.000 0.870 157 N CB -0.302 38.299 38.487 0.189 0.000 0.975 157 N HN 0.441 nan 8.380 nan 0.000 0.433 158 I N 0.099 120.752 120.570 0.138 0.000 2.277 158 I HA -0.106 4.063 4.170 -0.001 0.000 0.243 158 I C 1.982 178.151 176.117 0.087 0.000 1.094 158 I CA 0.694 62.056 61.300 0.103 0.000 1.393 158 I CB -0.229 37.826 38.000 0.093 0.000 1.078 158 I HN 0.025 nan 8.210 nan 0.000 0.417 159 A N 0.195 123.067 122.820 0.087 0.000 2.168 159 A HA -0.115 4.204 4.320 -0.001 0.000 0.215 159 A C 2.064 179.645 177.584 -0.004 0.000 1.152 159 A CA 1.491 53.553 52.037 0.041 0.000 0.716 159 A CB -0.484 18.527 19.000 0.018 0.000 0.794 159 A HN 0.487 nan 8.150 nan 0.000 0.465 160 S N -1.209 114.505 115.700 0.023 0.000 2.574 160 S HA 0.463 4.932 4.470 -0.001 0.000 0.242 160 S C 0.967 175.604 174.600 0.062 0.000 0.982 160 S CA 0.290 58.494 58.200 0.006 0.000 0.977 160 S CB -0.172 63.072 63.200 0.074 0.000 0.814 160 S HN 0.510 nan 8.310 nan 0.000 0.464 161 G N 1.752 110.588 108.800 0.060 0.000 3.329 161 G HA2 0.465 4.424 3.960 -0.001 0.000 0.180 161 G HA3 0.465 4.424 3.960 -0.001 0.000 0.180 161 G C 0.185 175.113 174.900 0.048 0.000 1.640 161 G CA 0.168 45.305 45.100 0.062 0.000 1.018 161 G HN 0.582 nan 8.290 nan 0.000 0.581 162 T N -2.173 112.407 114.554 0.043 0.000 2.882 162 T HA 0.338 4.687 4.350 -0.001 0.000 0.287 162 T C 1.576 176.298 174.700 0.035 0.000 1.014 162 T CA 0.628 62.748 62.100 0.033 0.000 1.049 162 T CB 1.470 70.355 68.868 0.027 0.000 1.001 162 T HN 0.455 nan 8.240 nan 0.000 0.525 163 S N 1.130 116.843 115.700 0.023 0.000 2.392 163 S HA -0.222 4.247 4.470 -0.001 0.000 0.232 163 S C 2.208 176.834 174.600 0.043 0.000 1.041 163 S CA 1.664 59.878 58.200 0.022 0.000 1.026 163 S CB -1.130 62.058 63.200 -0.019 0.000 0.845 163 S HN 0.945 nan 8.310 nan 0.000 0.465 164 A N 0.213 123.052 122.820 0.031 0.000 1.970 164 A HA 0.028 4.347 4.320 -0.001 0.000 0.216 164 A C 2.067 179.680 177.584 0.047 0.000 1.170 164 A CA 1.184 53.242 52.037 0.036 0.000 0.645 164 A CB -0.472 18.540 19.000 0.020 0.000 0.816 164 A HN 0.723 nan 8.150 nan 0.000 0.447 165 Q N -1.020 118.809 119.800 0.048 0.000 2.311 165 Q HA -0.034 4.305 4.340 -0.001 0.000 0.203 165 Q C 1.796 177.833 176.000 0.060 0.000 0.954 165 Q CA 1.409 57.242 55.803 0.050 0.000 0.885 165 Q CB -0.104 28.663 28.738 0.049 0.000 0.963 165 Q HN 0.592 nan 8.270 nan 0.000 0.471 166 T N 1.082 115.681 114.554 0.075 0.000 2.851 166 T HA -0.119 4.231 4.350 -0.001 0.000 0.262 166 T C 1.680 176.442 174.700 0.102 0.000 1.043 166 T CA 1.143 63.297 62.100 0.089 0.000 1.140 166 T CB -0.039 68.903 68.868 0.124 0.000 0.872 166 T HN 0.237 nan 8.240 nan 0.000 0.446 167 K N 1.117 121.610 120.400 0.154 0.000 2.103 167 K HA -0.095 4.225 4.320 -0.001 0.000 0.207 167 K C 2.067 178.701 176.600 0.057 0.000 1.048 167 K CA 1.073 57.462 56.287 0.169 0.000 0.930 167 K CB -0.314 32.283 32.500 0.162 0.000 0.716 167 K HN 0.131 nan 8.250 nan 0.000 0.444 168 V N 0.711 120.651 119.914 0.043 0.000 2.295 168 V HA -0.225 3.894 4.120 -0.001 0.000 0.246 168 V C 2.314 178.410 176.094 0.004 0.000 1.049 168 V CA 1.605 63.916 62.300 0.017 0.000 1.024 168 V CB -0.187 31.646 31.823 0.018 0.000 0.648 168 V HN 0.196 nan 8.190 nan 0.000 0.447 169 V N -0.363 119.563 119.914 0.021 0.000 2.490 169 V HA -0.201 3.918 4.120 -0.001 0.000 0.250 169 V C 2.359 178.458 176.094 0.008 0.000 1.061 169 V CA 1.749 64.071 62.300 0.038 0.000 1.064 169 V CB -0.298 31.587 31.823 0.103 0.000 0.670 169 V HN 0.417 nan 8.190 nan 0.000 0.461 170 V N -0.151 119.725 119.914 -0.063 0.000 2.453 170 V HA -0.166 3.953 4.120 -0.001 0.000 0.247 170 V C 2.136 178.141 176.094 -0.147 0.000 1.048 170 V CA 1.826 64.024 62.300 -0.170 0.000 1.049 170 V CB -0.549 30.966 31.823 -0.514 0.000 0.672 170 V HN 0.533 nan 8.190 nan 0.000 0.457 171 D N 0.722 121.062 120.400 -0.101 0.000 2.264 171 D HA -0.033 4.606 4.640 -0.001 0.000 0.208 171 D C 1.872 178.141 176.300 -0.052 0.000 0.966 171 D CA 1.291 55.246 54.000 -0.075 0.000 0.864 171 D CB -0.068 40.708 40.800 -0.040 0.000 0.933 171 D HN 0.458 nan 8.370 nan 0.000 0.499 172 A N 0.436 123.231 122.820 -0.043 0.000 2.276 172 A HA 0.024 4.343 4.320 -0.001 0.000 0.212 172 A C 0.351 177.913 177.584 -0.037 0.000 1.230 172 A CA 0.173 52.184 52.037 -0.042 0.000 0.844 172 A CB -0.276 18.694 19.000 -0.049 0.000 0.860 172 A HN 0.066 nan 8.150 nan 0.000 0.486 173 D N -2.377 118.011 120.400 -0.020 0.000 2.697 173 D HA -0.204 4.435 4.640 -0.001 0.000 0.238 173 D C 0.835 177.133 176.300 -0.003 0.000 1.152 173 D CA 0.858 54.869 54.000 0.018 0.000 0.666 173 D CB -1.008 39.803 40.800 0.019 0.000 1.037 173 D HN 0.494 nan 8.370 nan 0.000 0.423 174 A N -0.647 122.170 122.820 -0.005 0.000 2.147 174 A HA 0.180 4.500 4.320 -0.001 0.000 0.211 174 A C 2.229 179.797 177.584 -0.027 0.000 1.160 174 A CA 0.728 52.698 52.037 -0.112 0.000 0.781 174 A CB 0.268 19.197 19.000 -0.119 0.000 0.842 174 A HN 0.313 nan 8.150 nan 0.000 0.475 175 V N 1.391 121.409 119.914 0.174 0.000 2.270 175 V HA -0.121 3.999 4.120 -0.001 0.000 0.245 175 V C -0.326 175.849 176.094 0.135 0.000 1.043 175 V CA 2.479 64.932 62.300 0.254 0.000 1.014 175 V CB -1.162 30.797 31.823 0.228 0.000 0.645 175 V HN 0.412 nan 8.190 nan 0.000 0.447 176 P HA -0.133 nan 4.420 nan 0.000 0.219 176 P C 1.675 178.997 177.300 0.035 0.000 1.146 176 P CA 1.499 64.614 63.100 0.026 0.000 0.808 176 P CB -0.050 31.657 31.700 0.012 0.000 0.779 177 L N -3.121 118.094 121.223 -0.013 0.000 2.307 177 L HA 0.060 4.399 4.340 -0.001 0.000 0.211 177 L C 2.572 179.429 176.870 -0.021 0.000 1.099 177 L CA 0.687 55.496 54.840 -0.052 0.000 0.816 177 L CB -0.808 41.164 42.059 -0.145 0.000 0.952 177 L HN -0.142 nan 8.230 nan 0.000 0.455 178 F N 0.605 120.579 119.950 0.040 0.000 2.146 178 F HA -0.202 4.324 4.527 -0.002 0.000 0.298 178 F C 2.414 178.232 175.800 0.030 0.000 1.096 178 F CA 1.095 59.117 58.000 0.038 0.000 1.275 178 F CB -0.042 38.976 39.000 0.030 0.000 1.008 178 F HN -0.068 nan 8.300 nan 0.000 0.480 179 I N 0.301 121.000 120.570 0.216 0.000 2.179 179 I HA -0.325 3.844 4.170 -0.001 0.000 0.242 179 I C 2.618 178.823 176.117 0.147 0.000 1.088 179 I CA 1.672 63.045 61.300 0.122 0.000 1.357 179 I CB -0.601 37.448 38.000 0.081 0.000 1.051 179 I HN 0.245 nan 8.210 nan 0.000 0.409 180 Q N 0.892 120.803 119.800 0.185 0.000 2.224 180 Q HA -0.148 4.191 4.340 -0.001 0.000 0.203 180 Q C 2.095 178.235 176.000 0.233 0.000 0.970 180 Q CA 1.272 57.239 55.803 0.273 0.000 0.865 180 Q CB -0.423 28.406 28.738 0.152 0.000 0.922 180 Q HN 0.503 nan 8.270 nan 0.000 0.445 181 L N 0.557 121.874 121.223 0.157 0.000 2.362 181 L HA -0.089 4.250 4.340 -0.001 0.000 0.219 181 L C 2.099 179.035 176.870 0.111 0.000 1.134 181 L CA 0.525 55.445 54.840 0.134 0.000 0.807 181 L CB -0.174 41.971 42.059 0.143 0.000 0.927 181 L HN 0.311 nan 8.230 nan 0.000 0.447 182 L N -2.146 119.120 121.223 0.072 0.000 2.217 182 L HA -0.181 4.159 4.340 -0.001 0.000 0.211 182 L C 2.185 179.016 176.870 -0.064 0.000 1.107 182 L CA 1.059 55.877 54.840 -0.037 0.000 0.783 182 L CB -0.401 41.576 42.059 -0.136 0.000 0.919 182 L HN 0.189 nan 8.230 nan 0.000 0.442 183 Y N -0.068 120.246 120.300 0.023 0.000 2.138 183 Y HA -0.224 4.325 4.550 -0.001 0.000 0.286 183 Y C 3.134 179.042 175.900 0.013 0.000 1.115 183 Y CA 1.842 59.951 58.100 0.015 0.000 1.105 183 Y CB -0.719 37.749 38.460 0.014 0.000 1.004 183 Y HN 0.188 nan 8.280 nan 0.000 0.494 184 T N -1.234 113.447 114.554 0.212 0.000 2.698 184 T HA 0.051 4.401 4.350 -0.001 0.000 0.260 184 T C 1.496 176.242 174.700 0.077 0.000 1.044 184 T CA 0.577 62.746 62.100 0.114 0.000 1.149 184 T CB -1.295 67.623 68.868 0.083 0.000 0.864 184 T HN 0.280 nan 8.240 nan 0.000 0.419 185 G N 1.930 110.775 108.800 0.074 0.000 2.760 185 G HA2 0.341 4.300 3.960 -0.001 0.000 0.236 185 G HA3 0.341 4.300 3.960 -0.001 0.000 0.236 185 G C 0.406 175.327 174.900 0.035 0.000 1.243 185 G CA 0.062 45.194 45.100 0.054 0.000 0.850 185 G HN 0.945 nan 8.290 nan 0.000 0.595 186 S N -0.591 115.124 115.700 0.025 0.000 2.632 186 S HA 0.084 4.553 4.470 -0.001 0.000 0.254 186 S C 1.582 176.179 174.600 -0.006 0.000 1.291 186 S CA 0.005 58.210 58.200 0.009 0.000 0.974 186 S CB 0.800 64.004 63.200 0.006 0.000 1.016 186 S HN 0.456 nan 8.310 nan 0.000 0.579 187 V N 1.464 121.365 119.914 -0.021 0.000 2.453 187 V HA -0.091 4.028 4.120 -0.001 0.000 0.247 187 V C 2.629 178.687 176.094 -0.060 0.000 1.048 187 V CA 2.183 64.458 62.300 -0.042 0.000 1.049 187 V CB -1.461 30.335 31.823 -0.046 0.000 0.672 187 V HN 0.812 nan 8.190 nan 0.000 0.457 188 E N 0.405 120.568 120.200 -0.063 0.000 2.077 188 E HA -0.174 4.175 4.350 -0.001 0.000 0.193 188 E C 2.114 178.660 176.600 -0.090 0.000 0.989 188 E CA 1.409 57.748 56.400 -0.102 0.000 0.800 188 E CB -0.607 29.036 29.700 -0.096 0.000 0.746 188 E HN 0.429 nan 8.360 nan 0.000 0.452 189 V N 1.044 120.941 119.914 -0.028 0.000 2.515 189 V HA -0.237 3.882 4.120 -0.001 0.000 0.250 189 V C 1.996 178.105 176.094 0.025 0.000 1.058 189 V CA 1.678 63.991 62.300 0.021 0.000 1.064 189 V CB -0.398 31.456 31.823 0.052 0.000 0.675 189 V HN 0.190 nan 8.190 nan 0.000 0.461 190 K N -0.096 120.301 120.400 -0.005 0.000 2.097 190 K HA -0.195 4.124 4.320 -0.001 0.000 0.205 190 K C 2.245 178.828 176.600 -0.030 0.000 1.050 190 K CA 1.531 57.810 56.287 -0.013 0.000 0.938 190 K CB -0.106 32.370 32.500 -0.040 0.000 0.718 190 K HN 0.506 nan 8.250 nan 0.000 0.442 191 E N 0.421 120.583 120.200 -0.062 0.000 2.150 191 E HA -0.180 4.169 4.350 -0.001 0.000 0.193 191 E C 2.013 178.584 176.600 -0.048 0.000 0.985 191 E CA 0.839 57.190 56.400 -0.082 0.000 0.814 191 E CB 0.323 29.937 29.700 -0.145 0.000 0.752 191 E HN 0.205 nan 8.360 nan 0.000 0.466 192 Q N -0.140 119.630 119.800 -0.051 0.000 2.020 192 Q HA -0.089 4.250 4.340 -0.001 0.000 0.198 192 Q C 2.200 178.222 176.000 0.036 0.000 0.974 192 Q CA 1.356 57.159 55.803 0.001 0.000 0.829 192 Q CB -0.413 28.332 28.738 0.013 0.000 0.894 192 Q HN 0.312 nan 8.270 nan 0.000 0.433 193 A N 0.850 123.701 122.820 0.052 0.000 1.933 193 A HA -0.175 4.145 4.320 -0.001 0.000 0.218 193 A C 2.095 179.621 177.584 -0.096 0.000 1.175 193 A CA 1.304 53.329 52.037 -0.019 0.000 0.628 193 A CB -0.580 18.542 19.000 0.203 0.000 0.814 193 A HN 0.328 nan 8.150 nan 0.000 0.444 194 I N -1.195 119.376 120.570 0.002 0.000 2.252 194 I HA -0.195 3.974 4.170 -0.001 0.000 0.245 194 I C 2.222 178.409 176.117 0.117 0.000 1.102 194 I CA 1.101 62.420 61.300 0.032 0.000 1.385 194 I CB -0.423 37.592 38.000 0.025 0.000 1.064 194 I HN 0.655 nan 8.210 nan 0.000 0.414 195 W N 1.217 122.480 121.300 -0.062 0.000 2.338 195 W HA -0.287 4.372 4.660 -0.001 0.000 0.304 195 W C 2.247 178.743 176.519 -0.038 0.000 1.212 195 W CA 1.687 59.017 57.345 -0.024 0.000 1.264 195 W CB -0.199 29.192 29.460 -0.115 0.000 1.142 195 W HN 0.290 nan 8.180 nan 0.000 0.512 196 A N 0.977 123.665 122.820 -0.219 0.000 1.877 196 A HA -0.215 4.104 4.320 -0.001 0.000 0.216 196 A C 2.095 179.440 177.584 -0.399 0.000 1.186 196 A CA 1.846 53.589 52.037 -0.490 0.000 0.620 196 A CB -1.246 17.105 19.000 -1.081 0.000 0.822 196 A HN 0.369 nan 8.150 nan 0.000 0.443 197 L N -0.686 120.346 121.223 -0.318 0.000 2.201 197 L HA -0.086 4.253 4.340 -0.001 0.000 0.212 197 L C 2.730 179.534 176.870 -0.110 0.000 1.105 197 L CA 0.773 55.511 54.840 -0.168 0.000 0.775 197 L CB -0.601 41.401 42.059 -0.095 0.000 0.913 197 L HN 0.512 nan 8.230 nan 0.000 0.440 198 G N -0.373 108.384 108.800 -0.072 0.000 2.402 198 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.216 198 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.216 198 G C 1.422 176.221 174.900 -0.168 0.000 1.162 198 G CA 0.410 45.471 45.100 -0.065 0.000 0.777 198 G HN 0.306 nan 8.290 nan 0.000 0.539 199 N N 0.244 118.845 118.700 -0.165 0.000 2.188 199 N HA -0.078 4.661 4.740 -0.001 0.000 0.184 199 N C 2.309 177.765 175.510 -0.090 0.000 1.018 199 N CA 1.003 53.952 53.050 -0.168 0.000 0.858 199 N CB 0.019 38.299 38.487 -0.346 0.000 0.989 199 N HN 0.176 nan 8.380 nan 0.000 0.426 200 V N 1.618 121.480 119.914 -0.086 0.000 2.323 200 V HA -0.117 4.003 4.120 -0.001 0.000 0.244 200 V C 2.419 178.554 176.094 0.069 0.000 1.041 200 V CA 1.641 63.943 62.300 0.002 0.000 1.025 200 V CB -0.719 31.076 31.823 -0.046 0.000 0.656 200 V HN 0.243 nan 8.190 nan 0.000 0.451 201 A N 0.346 123.158 122.820 -0.014 0.000 2.019 201 A HA -0.040 4.279 4.320 -0.001 0.000 0.219 201 A C 2.213 179.762 177.584 -0.059 0.000 1.164 201 A CA 1.686 53.714 52.037 -0.014 0.000 0.644 201 A CB -0.795 18.160 19.000 -0.074 0.000 0.805 201 A HN 0.558 nan 8.150 nan 0.000 0.449 202 G N -0.994 107.732 108.800 -0.122 0.000 2.880 202 G HA2 0.008 3.967 3.960 -0.001 0.000 0.209 202 G HA3 0.008 3.967 3.960 -0.001 0.000 0.209 202 G C 0.992 175.839 174.900 -0.089 0.000 1.157 202 G CA 0.946 45.946 45.100 -0.166 0.000 0.779 202 G HN 0.567 nan 8.290 nan 0.000 0.539 203 D N 0.253 120.646 120.400 -0.011 0.000 2.144 203 D HA 0.002 4.642 4.640 -0.001 0.000 0.200 203 D C 1.393 177.619 176.300 -0.123 0.000 0.978 203 D CA 1.430 55.413 54.000 -0.029 0.000 0.833 203 D CB 0.243 41.087 40.800 0.072 0.000 0.961 203 D HN 0.378 nan 8.370 nan 0.000 0.470 204 S N -3.511 112.114 115.700 -0.124 0.000 2.636 204 S HA 0.179 4.648 4.470 -0.001 0.000 0.266 204 S C 0.796 175.339 174.600 -0.095 0.000 1.147 204 S CA -0.127 57.976 58.200 -0.161 0.000 0.815 204 S CB 0.653 63.679 63.200 -0.289 0.000 1.119 204 S HN 0.058 nan 8.310 nan 0.000 0.470 205 T N -1.660 112.840 114.554 -0.090 0.000 2.962 205 T HA 0.020 4.369 4.350 -0.001 0.000 0.270 205 T C 0.779 175.479 174.700 0.001 0.000 1.088 205 T CA 1.791 63.863 62.100 -0.047 0.000 1.127 205 T CB -0.825 68.013 68.868 -0.049 0.000 0.883 205 T HN 0.555 nan 8.240 nan 0.000 0.493 206 D N 0.481 120.873 120.400 -0.013 0.000 2.103 206 D HA 0.029 4.668 4.640 -0.001 0.000 0.199 206 D C 1.767 178.207 176.300 0.234 0.000 0.978 206 D CA 1.078 55.117 54.000 0.064 0.000 0.829 206 D CB -0.421 40.379 40.800 0.000 0.000 0.981 206 D HN 0.535 nan 8.370 nan 0.000 0.464 207 Y N 0.515 120.830 120.300 0.024 0.000 2.274 207 Y HA -0.146 4.403 4.550 -0.001 0.000 0.290 207 Y C 2.608 178.565 175.900 0.094 0.000 1.145 207 Y CA 0.395 58.540 58.100 0.075 0.000 1.203 207 Y CB 0.104 38.577 38.460 0.022 0.000 0.984 207 Y HN -0.090 nan 8.280 nan 0.000 0.533 208 R N 0.976 121.588 120.500 0.186 0.000 2.070 208 R HA -0.187 4.152 4.340 -0.001 0.000 0.232 208 R C 1.518 177.867 176.300 0.082 0.000 1.138 208 R CA 2.179 58.327 56.100 0.080 0.000 0.936 208 R CB -0.358 29.948 30.300 0.011 0.000 0.839 208 R HN 0.255 nan 8.270 nan 0.000 0.429 209 D N -0.224 120.234 120.400 0.096 0.000 2.123 209 D HA -0.218 4.421 4.640 -0.001 0.000 0.196 209 D C 1.694 178.063 176.300 0.114 0.000 0.992 209 D CA 1.292 55.344 54.000 0.088 0.000 0.833 209 D CB -0.531 40.321 40.800 0.087 0.000 0.954 209 D HN 0.330 nan 8.370 nan 0.000 0.455 210 Y N 1.806 122.136 120.300 0.051 0.000 2.165 210 Y HA -0.228 4.321 4.550 -0.001 0.000 0.286 210 Y C 2.232 178.140 175.900 0.012 0.000 1.155 210 Y CA 1.067 59.188 58.100 0.034 0.000 1.164 210 Y CB -0.436 38.047 38.460 0.038 0.000 0.978 210 Y HN -0.206 nan 8.280 nan 0.000 0.513 211 V N 0.577 120.444 119.914 -0.077 0.000 2.332 211 V HA -0.334 3.785 4.120 -0.001 0.000 0.248 211 V C 2.504 178.507 176.094 -0.153 0.000 1.055 211 V CA 2.071 64.267 62.300 -0.173 0.000 1.038 211 V CB -0.776 31.021 31.823 -0.044 0.000 0.651 211 V HN 0.459 nan 8.190 nan 0.000 0.450 212 L N -0.878 120.297 121.223 -0.079 0.000 2.027 212 L HA -0.227 4.113 4.340 -0.001 0.000 0.206 212 L C 2.665 179.493 176.870 -0.070 0.000 1.074 212 L CA 1.603 56.409 54.840 -0.056 0.000 0.745 212 L CB -0.579 41.467 42.059 -0.022 0.000 0.898 212 L HN 0.306 nan 8.230 nan 0.000 0.433 213 Q N -0.758 118.997 119.800 -0.076 0.000 2.096 213 Q HA -0.221 4.118 4.340 -0.001 0.000 0.204 213 Q C 2.077 178.009 176.000 -0.114 0.000 0.982 213 Q CA 1.716 57.478 55.803 -0.068 0.000 0.850 213 Q CB -0.288 28.434 28.738 -0.028 0.000 0.901 213 Q HN 0.533 nan 8.270 nan 0.000 0.422 214 C N 1.682 120.846 119.300 -0.225 0.000 2.511 214 C HA 0.031 4.490 4.460 -0.001 0.000 0.300 214 C C -0.113 174.820 174.990 -0.095 0.000 1.393 214 C CA -0.486 58.410 59.018 -0.203 0.000 1.637 214 C CB -2.028 25.503 27.740 -0.349 0.000 1.637 214 C HN 0.501 nan 8.230 nan 0.000 0.595 215 N N -0.098 118.564 118.700 -0.063 0.000 2.688 215 N HA -0.205 4.534 4.740 -0.001 0.000 0.258 215 N C 0.646 176.151 175.510 -0.009 0.000 1.016 215 N CA 0.928 53.967 53.050 -0.019 0.000 0.747 215 N CB -0.915 37.581 38.487 0.015 0.000 0.895 215 N HN 0.706 nan 8.380 nan 0.000 0.543 216 A N -0.218 122.580 122.820 -0.037 0.000 2.081 216 A HA 0.036 4.355 4.320 -0.001 0.000 0.214 216 A C 2.185 179.747 177.584 -0.038 0.000 1.158 216 A CA 1.053 53.067 52.037 -0.038 0.000 0.724 216 A CB -0.058 18.916 19.000 -0.043 0.000 0.826 216 A HN 0.301 nan 8.150 nan 0.000 0.463 217 M N 0.675 120.259 119.600 -0.027 0.000 2.082 217 M HA -0.197 4.282 4.480 -0.001 0.000 0.258 217 M C 1.783 178.074 176.300 -0.016 0.000 1.069 217 M CA 2.214 57.503 55.300 -0.018 0.000 1.102 217 M CB -0.705 31.878 32.600 -0.028 0.000 1.336 217 M HN 0.600 nan 8.290 nan 0.000 0.404 218 E N -0.445 119.746 120.200 -0.015 0.000 2.023 218 E HA -0.200 4.149 4.350 -0.001 0.000 0.196 218 E C -0.810 175.745 176.600 -0.075 0.000 1.003 218 E CA 1.906 58.302 56.400 -0.007 0.000 0.809 218 E CB -0.991 28.740 29.700 0.053 0.000 0.755 218 E HN 0.387 nan 8.360 nan 0.000 0.449 219 P HA -0.128 nan 4.420 nan 0.000 0.218 219 P C 1.563 178.737 177.300 -0.210 0.000 1.149 219 P CA 1.173 64.009 63.100 -0.441 0.000 0.817 219 P CB -0.137 31.081 31.700 -0.804 0.000 0.785 220 I N -0.516 119.994 120.570 -0.099 0.000 2.179 220 I HA -0.230 3.939 4.170 -0.001 0.000 0.242 220 I C 2.628 178.814 176.117 0.115 0.000 1.088 220 I CA 1.272 62.566 61.300 -0.010 0.000 1.357 220 I CB -0.695 37.336 38.000 0.052 0.000 1.051 220 I HN -0.163 nan 8.210 nan 0.000 0.409 221 L N 0.348 121.668 121.223 0.161 0.000 2.079 221 L HA -0.176 4.164 4.340 -0.001 0.000 0.210 221 L C 2.623 179.638 176.870 0.241 0.000 1.081 221 L CA 1.561 56.565 54.840 0.272 0.000 0.752 221 L CB -1.257 40.862 42.059 0.100 0.000 0.896 221 L HN 0.356 nan 8.230 nan 0.000 0.433 222 G N 0.039 108.882 108.800 0.073 0.000 2.501 222 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.220 222 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.220 222 G C 1.585 176.483 174.900 -0.003 0.000 1.114 222 G CA 0.434 45.550 45.100 0.027 0.000 0.757 222 G HN 0.292 nan 8.290 nan 0.000 0.559 223 L N -0.921 120.260 121.223 -0.069 0.000 2.217 223 L HA 0.169 4.508 4.340 -0.001 0.000 0.211 223 L C 1.644 178.360 176.870 -0.256 0.000 1.107 223 L CA 0.192 54.906 54.840 -0.210 0.000 0.783 223 L CB -0.215 41.627 42.059 -0.361 0.000 0.919 223 L HN 0.100 nan 8.230 nan 0.000 0.442 224 F N 0.140 120.086 119.950 -0.006 0.000 2.716 224 F HA -0.018 4.508 4.527 -0.002 0.000 0.301 224 F C 1.435 177.236 175.800 0.003 0.000 1.210 224 F CA 0.418 58.420 58.000 0.004 0.000 1.422 224 F CB -0.892 38.113 39.000 0.008 0.000 1.073 224 F HN 0.151 nan 8.300 nan 0.000 0.525 225 N N -1.214 117.540 118.700 0.089 0.000 2.322 225 N HA -0.097 4.642 4.740 -0.001 0.000 0.181 225 N C 2.057 177.581 175.510 0.023 0.000 1.088 225 N CA 0.613 53.699 53.050 0.059 0.000 0.885 225 N CB 0.072 38.586 38.487 0.046 0.000 1.013 225 N HN 0.116 nan 8.380 nan 0.000 0.472 226 S N 1.245 116.938 115.700 -0.012 0.000 2.420 226 S HA -0.268 4.201 4.470 -0.001 0.000 0.237 226 S C 1.020 175.613 174.600 -0.013 0.000 1.023 226 S CA 1.089 59.273 58.200 -0.027 0.000 0.991 226 S CB -0.515 62.647 63.200 -0.064 0.000 0.792 226 S HN 0.497 nan 8.310 nan 0.000 0.488 227 N N -0.106 118.595 118.700 0.002 0.000 2.714 227 N HA -0.215 4.524 4.740 -0.001 0.000 0.250 227 N C -0.712 174.795 175.510 -0.005 0.000 1.117 227 N CA 0.835 53.890 53.050 0.009 0.000 0.719 227 N CB -0.712 37.782 38.487 0.010 0.000 1.081 227 N HN 0.460 nan 8.380 nan 0.000 0.557 228 K N 0.790 121.178 120.400 -0.021 0.000 2.404 228 K HA 0.414 4.733 4.320 -0.001 0.000 0.257 228 K C -1.919 174.660 176.600 -0.035 0.000 1.026 228 K CA -2.302 53.965 56.287 -0.033 0.000 0.951 228 K CB 1.387 33.857 32.500 -0.050 0.000 1.203 228 K HN -0.144 nan 8.250 nan 0.000 0.446 229 P HA -0.239 nan 4.420 nan 0.000 0.215 229 P C 0.909 178.192 177.300 -0.028 0.000 1.157 229 P CA 1.566 64.659 63.100 -0.011 0.000 0.874 229 P CB 0.199 31.895 31.700 -0.008 0.000 0.790 230 S N -1.088 114.579 115.700 -0.055 0.000 2.399 230 S HA -0.156 4.313 4.470 -0.001 0.000 0.231 230 S C 1.881 176.425 174.600 -0.093 0.000 1.022 230 S CA 1.148 59.297 58.200 -0.084 0.000 0.983 230 S CB -1.424 61.709 63.200 -0.112 0.000 0.803 230 S HN 0.012 nan 8.310 nan 0.000 0.480 231 L N 1.163 122.330 121.223 -0.094 0.000 2.131 231 L HA 0.345 4.684 4.340 -0.001 0.000 0.206 231 L C 2.144 178.929 176.870 -0.141 0.000 1.087 231 L CA 1.268 56.038 54.840 -0.116 0.000 0.767 231 L CB -0.566 41.418 42.059 -0.125 0.000 0.917 231 L HN 0.345 nan 8.230 nan 0.000 0.441 232 I N -0.652 119.850 120.570 -0.113 0.000 2.286 232 I HA -0.266 3.903 4.170 -0.001 0.000 0.248 232 I C 2.712 178.852 176.117 0.038 0.000 1.115 232 I CA 1.180 62.423 61.300 -0.094 0.000 1.392 232 I CB -0.374 37.652 38.000 0.043 0.000 1.065 232 I HN 0.281 nan 8.210 nan 0.000 0.418 233 R N 0.498 121.021 120.500 0.039 0.000 2.083 233 R HA -0.171 4.168 4.340 -0.001 0.000 0.237 233 R C 2.257 178.634 176.300 0.129 0.000 1.137 233 R CA 2.211 58.360 56.100 0.082 0.000 0.951 233 R CB -0.297 30.013 30.300 0.018 0.000 0.851 233 R HN 0.268 nan 8.270 nan 0.000 0.434 234 T N 0.492 115.085 114.554 0.064 0.000 2.737 234 T HA -0.050 4.299 4.350 -0.001 0.000 0.265 234 T C 1.811 176.658 174.700 0.245 0.000 1.038 234 T CA 1.236 63.424 62.100 0.148 0.000 1.144 234 T CB -0.281 68.610 68.868 0.037 0.000 0.866 234 T HN 0.441 nan 8.240 nan 0.000 0.434 235 A N 1.246 124.109 122.820 0.070 0.000 1.978 235 A HA -0.134 4.185 4.320 -0.001 0.000 0.220 235 A C 2.501 180.269 177.584 0.306 0.000 1.170 235 A CA 2.012 54.061 52.037 0.021 0.000 0.636 235 A CB -1.144 17.546 19.000 -0.518 0.000 0.810 235 A HN 0.475 nan 8.150 nan 0.000 0.448 236 T N -1.959 112.826 114.554 0.385 0.000 2.812 236 T HA -0.149 4.200 4.350 -0.001 0.000 0.264 236 T C 1.440 176.345 174.700 0.342 0.000 1.042 236 T CA 1.265 63.617 62.100 0.419 0.000 1.140 236 T CB -0.314 68.772 68.868 0.364 0.000 0.870 236 T HN 0.731 nan 8.240 nan 0.000 0.445 237 W N 2.095 123.505 121.300 0.183 0.000 2.315 237 W HA -0.242 4.417 4.660 -0.002 0.000 0.323 237 W C 2.370 178.976 176.519 0.146 0.000 1.233 237 W CA 1.984 59.433 57.345 0.174 0.000 1.267 237 W CB -0.945 28.646 29.460 0.218 0.000 1.160 237 W HN 0.110 nan 8.180 nan 0.000 0.474 238 T N 1.387 116.116 114.554 0.292 0.000 2.699 238 T HA -0.285 4.064 4.350 -0.001 0.000 0.268 238 T C 1.661 176.349 174.700 -0.021 0.000 1.036 238 T CA 1.776 63.895 62.100 0.031 0.000 1.147 238 T CB -0.835 68.132 68.868 0.165 0.000 0.862 238 T HN 0.166 nan 8.240 nan 0.000 0.446 239 L N 1.849 123.134 121.223 0.104 0.000 2.042 239 L HA -0.124 4.215 4.340 -0.001 0.000 0.210 239 L C 2.634 179.535 176.870 0.052 0.000 1.076 239 L CA 2.261 57.160 54.840 0.099 0.000 0.749 239 L CB -0.905 41.264 42.059 0.183 0.000 0.893 239 L HN 0.372 nan 8.230 nan 0.000 0.432 240 S N -1.046 114.687 115.700 0.055 0.000 2.382 240 S HA -0.171 4.298 4.470 -0.001 0.000 0.228 240 S C 1.857 176.510 174.600 0.089 0.000 1.027 240 S CA 1.246 59.518 58.200 0.121 0.000 0.991 240 S CB -0.848 62.431 63.200 0.132 0.000 0.823 240 S HN 0.542 nan 8.310 nan 0.000 0.469 241 N N 1.936 120.542 118.700 -0.156 0.000 2.309 241 N HA 0.125 4.865 4.740 -0.001 0.000 0.182 241 N C 1.552 176.975 175.510 -0.145 0.000 1.018 241 N CA 0.949 53.848 53.050 -0.251 0.000 0.876 241 N CB -0.610 37.593 38.487 -0.474 0.000 0.972 241 N HN 0.470 nan 8.380 nan 0.000 0.434 242 L N -0.606 120.571 121.223 -0.077 0.000 2.291 242 L HA -0.042 4.297 4.340 -0.001 0.000 0.214 242 L C 1.632 178.496 176.870 -0.009 0.000 1.120 242 L CA 0.462 55.278 54.840 -0.039 0.000 0.799 242 L CB -0.087 41.961 42.059 -0.020 0.000 0.925 242 L HN 0.174 nan 8.230 nan 0.000 0.446 243 C N -1.294 118.031 119.300 0.041 0.000 2.735 243 C HA 0.087 4.547 4.460 -0.001 0.000 0.271 243 C C 1.676 176.679 174.990 0.022 0.000 1.281 243 C CA -0.610 58.471 59.018 0.106 0.000 1.719 243 C CB -0.676 27.211 27.740 0.245 0.000 2.024 243 C HN 0.327 nan 8.230 nan 0.000 0.566 244 R N 1.237 121.612 120.500 -0.209 0.000 2.594 244 R HA 0.445 4.784 4.340 -0.001 0.000 0.272 244 R C 0.128 176.199 176.300 -0.382 0.000 1.074 244 R CA 1.394 57.053 56.100 -0.735 0.000 1.105 244 R CB 0.033 29.855 30.300 -0.797 0.000 1.008 244 R HN 0.481 nan 8.270 nan 0.000 0.472 245 G N 2.531 111.102 108.800 -0.381 0.000 3.355 245 G HA2 -0.154 3.805 3.960 -0.001 0.000 0.686 245 G HA3 -0.154 3.805 3.960 -0.001 0.000 0.686 245 G C -0.270 174.575 174.900 -0.092 0.000 1.097 245 G CA -0.094 44.889 45.100 -0.195 0.000 0.881 245 G HN 0.711 nan 8.290 nan 0.000 0.550 246 K N 0.424 120.786 120.400 -0.064 0.000 2.335 246 K HA 0.146 4.465 4.320 -0.001 0.000 0.195 246 K C 0.953 177.542 176.600 -0.019 0.000 1.058 246 K CA 0.939 57.214 56.287 -0.022 0.000 0.988 246 K CB -0.009 32.483 32.500 -0.013 0.000 0.880 246 K HN 0.551 nan 8.250 nan 0.000 0.513 247 K N 2.246 122.626 120.400 -0.032 0.000 2.530 247 K HA 0.329 4.648 4.320 -0.001 0.000 0.230 247 K C -2.760 173.822 176.600 -0.030 0.000 1.002 247 K CA -1.523 54.748 56.287 -0.027 0.000 1.014 247 K CB 1.455 33.938 32.500 -0.028 0.000 1.286 247 K HN -0.078 nan 8.250 nan 0.000 0.480 248 P HA 0.179 nan 4.420 nan 0.000 0.280 248 P C -0.456 176.843 177.300 -0.001 0.000 1.272 248 P CA -0.607 62.489 63.100 -0.006 0.000 0.819 248 P CB 0.817 32.519 31.700 0.003 0.000 1.122 249 Q N 0.522 120.332 119.800 0.017 0.000 2.454 249 Q HA 0.205 4.544 4.340 -0.001 0.000 0.247 249 Q C -1.830 174.203 176.000 0.056 0.000 1.028 249 Q CA -1.031 54.798 55.803 0.042 0.000 0.910 249 Q CB -0.323 28.455 28.738 0.067 0.000 1.276 249 Q HN 0.423 nan 8.270 nan 0.000 0.489 250 P HA -0.026 nan 4.420 nan 0.000 0.274 250 P C -0.482 176.886 177.300 0.114 0.000 1.256 250 P CA -0.355 62.788 63.100 0.071 0.000 0.795 250 P CB 0.396 32.129 31.700 0.056 0.000 1.038 251 D N 0.763 121.215 120.400 0.086 0.000 2.368 251 D HA -0.097 4.542 4.640 -0.001 0.000 0.268 251 D C 1.180 177.555 176.300 0.126 0.000 1.298 251 D CA -0.040 54.021 54.000 0.101 0.000 0.938 251 D CB -0.232 40.600 40.800 0.053 0.000 1.101 251 D HN 0.385 nan 8.370 nan 0.000 0.509 252 W N 3.783 125.090 121.300 0.011 0.000 2.342 252 W HA -0.268 4.391 4.660 -0.002 0.000 0.297 252 W C 1.552 178.078 176.519 0.011 0.000 1.213 252 W CA 1.654 59.007 57.345 0.012 0.000 1.251 252 W CB -0.215 29.253 29.460 0.012 0.000 1.136 252 W HN 0.533 nan 8.180 nan 0.000 0.526 253 S N -0.032 115.647 115.700 -0.035 0.000 2.447 253 S HA -0.150 4.319 4.470 -0.001 0.000 0.233 253 S C 1.611 176.099 174.600 -0.186 0.000 1.006 253 S CA 1.415 59.542 58.200 -0.121 0.000 0.957 253 S CB -0.633 62.580 63.200 0.022 0.000 0.773 253 S HN 0.090 nan 8.310 nan 0.000 0.507 254 V N 1.942 121.764 119.914 -0.153 0.000 2.436 254 V HA -0.020 4.099 4.120 -0.001 0.000 0.240 254 V C 2.732 178.707 176.094 -0.198 0.000 1.040 254 V CA 1.122 63.341 62.300 -0.136 0.000 1.052 254 V CB -0.484 31.298 31.823 -0.068 0.000 0.707 254 V HN 0.566 nan 8.190 nan 0.000 0.469 255 V N 0.103 119.882 119.914 -0.226 0.000 2.548 255 V HA -0.133 3.986 4.120 -0.001 0.000 0.249 255 V C 2.515 178.386 176.094 -0.371 0.000 1.055 255 V CA 1.910 64.080 62.300 -0.217 0.000 1.065 255 V CB -1.288 30.473 31.823 -0.104 0.000 0.681 255 V HN 0.616 nan 8.190 nan 0.000 0.462 256 S N 0.475 115.730 115.700 -0.742 0.000 2.465 256 S HA -0.274 4.195 4.470 -0.001 0.000 0.241 256 S C 1.841 176.188 174.600 -0.422 0.000 1.000 256 S CA 1.633 59.310 58.200 -0.872 0.000 0.964 256 S CB -0.864 61.393 63.200 -1.572 0.000 0.763 256 S HN 0.767 nan 8.310 nan 0.000 0.512 257 Q N 0.440 120.056 119.800 -0.308 0.000 2.541 257 Q HA 0.202 4.542 4.340 -0.001 0.000 0.215 257 Q C 2.017 177.929 176.000 -0.147 0.000 0.977 257 Q CA 0.859 56.553 55.803 -0.182 0.000 0.934 257 Q CB -0.292 28.366 28.738 -0.133 0.000 0.988 257 Q HN 0.836 nan 8.270 nan 0.000 0.521 258 A N -0.004 122.716 122.820 -0.166 0.000 2.220 258 A HA 0.089 4.408 4.320 -0.001 0.000 0.211 258 A C 1.812 179.311 177.584 -0.142 0.000 1.176 258 A CA -0.112 51.837 52.037 -0.147 0.000 0.834 258 A CB -0.041 18.882 19.000 -0.127 0.000 0.868 258 A HN 0.245 nan 8.150 nan 0.000 0.488 259 L N 0.038 121.184 121.223 -0.128 0.000 1.997 259 L HA -0.198 4.141 4.340 -0.001 0.000 0.216 259 L C -0.445 176.381 176.870 -0.072 0.000 1.074 259 L CA 2.054 56.845 54.840 -0.082 0.000 0.763 259 L CB -1.571 40.454 42.059 -0.056 0.000 0.890 259 L HN 0.229 nan 8.230 nan 0.000 0.434 260 P HA -0.146 nan 4.420 nan 0.000 0.216 260 P C 1.586 178.837 177.300 -0.081 0.000 1.153 260 P CA 1.553 64.618 63.100 -0.058 0.000 0.858 260 P CB -0.090 31.579 31.700 -0.052 0.000 0.789 261 T N -0.401 114.069 114.554 -0.140 0.000 2.737 261 T HA -0.061 4.288 4.350 -0.001 0.000 0.265 261 T C 1.788 176.354 174.700 -0.223 0.000 1.038 261 T CA 1.025 62.988 62.100 -0.229 0.000 1.144 261 T CB -0.985 67.621 68.868 -0.435 0.000 0.866 261 T HN 0.036 nan 8.240 nan 0.000 0.434 262 L N 1.087 122.189 121.223 -0.202 0.000 2.042 262 L HA -0.153 4.186 4.340 -0.001 0.000 0.210 262 L C 3.044 179.880 176.870 -0.056 0.000 1.076 262 L CA 1.329 56.089 54.840 -0.134 0.000 0.749 262 L CB -0.744 41.255 42.059 -0.100 0.000 0.893 262 L HN 0.244 nan 8.230 nan 0.000 0.432 263 A N 0.004 122.807 122.820 -0.029 0.000 1.986 263 A HA -0.247 4.072 4.320 -0.001 0.000 0.220 263 A C 2.318 179.979 177.584 0.129 0.000 1.171 263 A CA 1.959 54.019 52.037 0.038 0.000 0.640 263 A CB -0.346 18.677 19.000 0.037 0.000 0.811 263 A HN 0.401 nan 8.150 nan 0.000 0.451 264 K N -0.626 119.820 120.400 0.076 0.000 2.137 264 K HA 0.177 4.496 4.320 -0.001 0.000 0.202 264 K C 1.719 178.411 176.600 0.153 0.000 1.052 264 K CA 0.841 57.204 56.287 0.126 0.000 0.961 264 K CB -0.251 32.268 32.500 0.031 0.000 0.741 264 K HN 0.422 nan 8.250 nan 0.000 0.452 265 L N 1.525 122.778 121.223 0.049 0.000 2.191 265 L HA -0.116 4.223 4.340 -0.001 0.000 0.212 265 L C 2.115 179.010 176.870 0.041 0.000 1.103 265 L CA 0.898 55.764 54.840 0.044 0.000 0.769 265 L CB -0.574 41.476 42.059 -0.016 0.000 0.908 265 L HN 0.278 nan 8.230 nan 0.000 0.438 266 I N -4.614 115.954 120.570 -0.003 0.000 3.456 266 I HA -0.176 3.993 4.170 -0.001 0.000 0.291 266 I C 1.283 177.255 176.117 -0.243 0.000 1.307 266 I CA 0.937 62.167 61.300 -0.117 0.000 1.333 266 I CB -0.513 37.382 38.000 -0.176 0.000 1.032 266 I HN 0.108 nan 8.210 nan 0.000 0.506 267 Y N 0.720 121.022 120.300 0.003 0.000 2.467 267 Y HA 0.275 4.824 4.550 -0.001 0.000 0.250 267 Y C 1.770 177.685 175.900 0.026 0.000 1.155 267 Y CA -0.256 57.853 58.100 0.015 0.000 1.249 267 Y CB 0.266 38.731 38.460 0.009 0.000 1.146 267 Y HN 0.179 nan 8.280 nan 0.000 0.524 268 S N 0.366 116.148 115.700 0.136 0.000 2.568 268 S HA 0.028 4.497 4.470 -0.001 0.000 0.282 268 S C 1.183 175.837 174.600 0.090 0.000 1.338 268 S CA -0.229 58.036 58.200 0.107 0.000 1.045 268 S CB 0.499 63.755 63.200 0.094 0.000 0.873 268 S HN 0.260 nan 8.310 nan 0.000 0.516 269 M N 2.281 121.931 119.600 0.084 0.000 2.428 269 M HA 0.198 4.677 4.480 -0.001 0.000 0.239 269 M C 0.155 176.497 176.300 0.071 0.000 1.121 269 M CA 0.133 55.480 55.300 0.078 0.000 1.019 269 M CB -1.310 31.329 32.600 0.065 0.000 1.485 269 M HN 0.632 nan 8.290 nan 0.000 0.484 270 D N 0.698 121.137 120.400 0.065 0.000 2.339 270 D HA 0.138 4.777 4.640 -0.001 0.000 0.241 270 D C 0.943 177.277 176.300 0.057 0.000 1.183 270 D CA 0.304 54.338 54.000 0.056 0.000 0.859 270 D CB 1.239 42.071 40.800 0.053 0.000 1.067 270 D HN 0.007 nan 8.370 nan 0.000 0.484 271 T N 3.003 117.591 114.554 0.056 0.000 2.665 271 T HA -0.215 4.134 4.350 -0.001 0.000 0.268 271 T C 1.384 176.107 174.700 0.038 0.000 1.035 271 T CA 1.554 63.679 62.100 0.041 0.000 1.151 271 T CB -0.176 68.724 68.868 0.053 0.000 0.862 271 T HN 0.514 nan 8.240 nan 0.000 0.438 272 E N 0.551 120.784 120.200 0.056 0.000 2.118 272 E HA -0.098 4.251 4.350 -0.001 0.000 0.195 272 E C 2.482 179.150 176.600 0.114 0.000 0.992 272 E CA 1.439 57.890 56.400 0.085 0.000 0.804 272 E CB -0.440 29.300 29.700 0.068 0.000 0.741 272 E HN 0.379 nan 8.360 nan 0.000 0.458 273 T N 1.148 115.761 114.554 0.098 0.000 2.674 273 T HA -0.154 4.195 4.350 -0.001 0.000 0.265 273 T C 1.727 176.484 174.700 0.094 0.000 1.039 273 T CA 1.048 63.221 62.100 0.121 0.000 1.150 273 T CB -0.333 68.603 68.868 0.113 0.000 0.864 273 T HN 0.038 nan 8.240 nan 0.000 0.427 274 L N 1.494 122.745 121.223 0.047 0.000 1.990 274 L HA -0.087 4.252 4.340 -0.001 0.000 0.213 274 L C 2.494 179.344 176.870 -0.033 0.000 1.072 274 L CA 1.614 56.447 54.840 -0.013 0.000 0.755 274 L CB -1.005 41.023 42.059 -0.052 0.000 0.889 274 L HN 0.098 nan 8.230 nan 0.000 0.432 275 V N -0.033 119.879 119.914 -0.003 0.000 2.287 275 V HA -0.329 3.790 4.120 -0.001 0.000 0.248 275 V C 2.303 178.489 176.094 0.154 0.000 1.053 275 V CA 2.146 64.465 62.300 0.032 0.000 1.027 275 V CB -0.826 31.073 31.823 0.128 0.000 0.646 275 V HN 0.459 nan 8.190 nan 0.000 0.447 276 D N -0.032 120.507 120.400 0.233 0.000 2.149 276 D HA -0.042 4.597 4.640 -0.001 0.000 0.201 276 D C 2.200 178.602 176.300 0.171 0.000 0.972 276 D CA 1.438 55.616 54.000 0.297 0.000 0.835 276 D CB -0.361 40.624 40.800 0.309 0.000 0.966 276 D HN 0.424 nan 8.370 nan 0.000 0.476 277 A N 0.317 123.191 122.820 0.091 0.000 1.877 277 A HA -0.203 4.116 4.320 -0.001 0.000 0.216 277 A C 2.496 180.047 177.584 -0.055 0.000 1.186 277 A CA 1.372 53.419 52.037 0.016 0.000 0.620 277 A CB -1.015 17.984 19.000 -0.002 0.000 0.822 277 A HN 0.354 nan 8.150 nan 0.000 0.443 278 C N -2.740 116.490 119.300 -0.117 0.000 2.413 278 C HA -0.174 4.285 4.460 -0.001 0.000 0.277 278 C C 2.409 177.192 174.990 -0.345 0.000 1.265 278 C CA 0.616 59.488 59.018 -0.243 0.000 1.752 278 C CB -1.835 25.704 27.740 -0.335 0.000 1.998 278 C HN 0.816 nan 8.230 nan 0.000 0.489 279 W N 0.953 122.103 121.300 -0.250 0.000 2.335 279 W HA -0.138 4.522 4.660 -0.001 0.000 0.311 279 W C 2.691 178.744 176.519 -0.777 0.000 1.213 279 W CA 1.351 58.380 57.345 -0.527 0.000 1.274 279 W CB -0.575 28.643 29.460 -0.404 0.000 1.148 279 W HN 0.274 nan 8.180 nan 0.000 0.498 280 A N 0.059 122.787 122.820 -0.153 0.000 1.933 280 A HA -0.174 4.145 4.320 -0.001 0.000 0.218 280 A C 1.809 179.364 177.584 -0.048 0.000 1.175 280 A CA 1.690 53.699 52.037 -0.046 0.000 0.628 280 A CB -0.920 18.107 19.000 0.045 0.000 0.814 280 A HN 0.317 nan 8.150 nan 0.000 0.444 281 I N 0.621 121.137 120.570 -0.090 0.000 2.315 281 I HA -0.233 3.936 4.170 -0.001 0.000 0.248 281 I C 2.847 178.935 176.117 -0.047 0.000 1.117 281 I CA 1.443 62.714 61.300 -0.050 0.000 1.404 281 I CB -0.236 37.722 38.000 -0.070 0.000 1.071 281 I HN 0.496 nan 8.210 nan 0.000 0.419 282 S N 0.381 115.985 115.700 -0.160 0.000 2.400 282 S HA -0.216 4.253 4.470 -0.001 0.000 0.232 282 S C 2.007 176.661 174.600 0.091 0.000 1.025 282 S CA 1.115 59.255 58.200 -0.102 0.000 0.993 282 S CB -0.851 62.215 63.200 -0.224 0.000 0.808 282 S HN 0.542 nan 8.310 nan 0.000 0.478 283 Y N 1.287 121.667 120.300 0.134 0.000 2.206 283 Y HA 0.167 4.717 4.550 -0.001 0.000 0.292 283 Y C 2.532 178.512 175.900 0.133 0.000 1.123 283 Y CA 0.457 58.634 58.100 0.128 0.000 1.142 283 Y CB -0.318 38.214 38.460 0.119 0.000 1.006 283 Y HN 0.168 nan 8.280 nan 0.000 0.518 284 L N 0.059 121.463 121.223 0.301 0.000 2.042 284 L HA -0.246 4.093 4.340 -0.001 0.000 0.210 284 L C 2.573 179.603 176.870 0.267 0.000 1.076 284 L CA 1.775 56.813 54.840 0.330 0.000 0.749 284 L CB -0.764 41.458 42.059 0.272 0.000 0.893 284 L HN 0.277 nan 8.230 nan 0.000 0.432 285 S N -1.897 113.904 115.700 0.168 0.000 2.515 285 S HA -0.130 4.339 4.470 -0.001 0.000 0.231 285 S C 0.939 175.586 174.600 0.079 0.000 0.987 285 S CA 0.373 58.634 58.200 0.102 0.000 0.936 285 S CB -0.377 62.861 63.200 0.064 0.000 0.766 285 S HN 0.302 nan 8.310 nan 0.000 0.528 286 D N 1.678 122.150 120.400 0.120 0.000 2.517 286 D HA 0.581 5.220 4.640 -0.001 0.000 0.220 286 D C 0.327 176.663 176.300 0.060 0.000 1.158 286 D CA 0.420 54.485 54.000 0.109 0.000 0.992 286 D CB 0.085 40.982 40.800 0.162 0.000 1.058 286 D HN 0.486 nan 8.370 nan 0.000 0.516 287 G N 2.560 111.358 108.800 -0.002 0.000 2.450 287 G HA2 0.296 4.255 3.960 -0.001 0.000 0.273 287 G HA3 0.296 4.255 3.960 -0.001 0.000 0.273 287 G C -2.757 172.074 174.900 -0.114 0.000 1.221 287 G CA -0.780 44.277 45.100 -0.071 0.000 0.900 287 G HN 0.251 nan 8.290 nan 0.000 0.483 288 P HA 0.260 nan 4.420 nan 0.000 0.274 288 P C 0.379 177.569 177.300 -0.184 0.000 1.256 288 P CA -0.201 62.795 63.100 -0.174 0.000 0.795 288 P CB 0.891 32.467 31.700 -0.207 0.000 1.038 289 Q N -0.226 119.495 119.800 -0.131 0.000 2.248 289 Q HA -0.232 4.107 4.340 -0.001 0.000 0.208 289 Q C 1.902 177.825 176.000 -0.128 0.000 0.984 289 Q CA 1.491 57.229 55.803 -0.108 0.000 0.875 289 Q CB -0.098 28.596 28.738 -0.073 0.000 0.910 289 Q HN 0.610 nan 8.270 nan 0.000 0.433 290 E N 0.156 120.245 120.200 -0.186 0.000 2.106 290 E HA -0.170 4.179 4.350 -0.001 0.000 0.192 290 E C 1.801 178.241 176.600 -0.266 0.000 0.984 290 E CA 0.866 57.150 56.400 -0.194 0.000 0.806 290 E CB 0.046 29.602 29.700 -0.239 0.000 0.750 290 E HN 0.354 nan 8.360 nan 0.000 0.458 291 A N 0.915 123.434 122.820 -0.502 0.000 1.898 291 A HA -0.071 4.248 4.320 -0.001 0.000 0.214 291 A C 2.102 179.619 177.584 -0.112 0.000 1.183 291 A CA 0.720 52.383 52.037 -0.622 0.000 0.622 291 A CB -0.456 17.988 19.000 -0.927 0.000 0.824 291 A HN 0.256 nan 8.150 nan 0.000 0.444 292 I N -0.597 119.910 120.570 -0.106 0.000 2.208 292 I HA -0.300 3.869 4.170 -0.001 0.000 0.245 292 I C 2.736 178.858 176.117 0.007 0.000 1.097 292 I CA 1.783 63.067 61.300 -0.027 0.000 1.363 292 I CB -0.200 37.773 38.000 -0.044 0.000 1.051 292 I HN 0.359 nan 8.210 nan 0.000 0.413 293 Q N 1.018 120.816 119.800 -0.003 0.000 2.119 293 Q HA -0.122 4.217 4.340 -0.001 0.000 0.201 293 Q C 2.177 178.219 176.000 0.071 0.000 0.972 293 Q CA 1.947 57.764 55.803 0.023 0.000 0.847 293 Q CB -0.297 28.447 28.738 0.010 0.000 0.903 293 Q HN 0.501 nan 8.270 nan 0.000 0.433 294 A N -0.720 122.183 122.820 0.137 0.000 1.940 294 A HA -0.142 4.177 4.320 -0.001 0.000 0.219 294 A C 2.230 179.899 177.584 0.142 0.000 1.176 294 A CA 1.674 53.833 52.037 0.203 0.000 0.631 294 A CB -0.752 18.516 19.000 0.447 0.000 0.814 294 A HN 0.268 nan 8.150 nan 0.000 0.446 295 V N -0.018 119.976 119.914 0.134 0.000 2.307 295 V HA -0.233 3.886 4.120 -0.001 0.000 0.245 295 V C 2.404 178.528 176.094 0.050 0.000 1.045 295 V CA 1.913 64.266 62.300 0.088 0.000 1.024 295 V CB -0.606 31.264 31.823 0.079 0.000 0.651 295 V HN 0.574 nan 8.190 nan 0.000 0.449 296 I N 0.250 120.844 120.570 0.041 0.000 2.226 296 I HA -0.238 3.932 4.170 -0.001 0.000 0.245 296 I C 2.187 178.320 176.117 0.028 0.000 1.100 296 I CA 1.597 62.912 61.300 0.024 0.000 1.374 296 I CB -0.442 37.566 38.000 0.014 0.000 1.057 296 I HN 0.334 nan 8.210 nan 0.000 0.413 297 D N 0.324 120.747 120.400 0.037 0.000 2.219 297 D HA -0.101 4.538 4.640 -0.001 0.000 0.205 297 D C 2.079 178.397 176.300 0.030 0.000 0.970 297 D CA 1.248 55.268 54.000 0.033 0.000 0.851 297 D CB -0.103 40.721 40.800 0.041 0.000 0.943 297 D HN 0.349 nan 8.370 nan 0.000 0.488 298 V N -1.762 118.171 119.914 0.032 0.000 3.573 298 V HA 0.157 4.276 4.120 -0.001 0.000 0.270 298 V C 0.745 176.857 176.094 0.030 0.000 1.221 298 V CA -0.069 62.247 62.300 0.025 0.000 1.163 298 V CB -0.536 31.299 31.823 0.020 0.000 0.847 298 V HN 0.083 nan 8.190 nan 0.000 0.468 299 R N -1.573 118.945 120.500 0.031 0.000 3.854 299 R HA -0.183 4.156 4.340 -0.001 0.000 0.352 299 R C 0.950 177.276 176.300 0.044 0.000 1.156 299 R CA 1.144 57.266 56.100 0.037 0.000 0.917 299 R CB -2.633 27.693 30.300 0.044 0.000 1.471 299 R HN 0.540 nan 8.270 nan 0.000 0.521 300 I N 1.523 122.111 120.570 0.030 0.000 2.179 300 I HA -0.150 4.019 4.170 -0.001 0.000 0.242 300 I C -0.414 175.697 176.117 -0.009 0.000 1.088 300 I CA 1.526 62.834 61.300 0.013 0.000 1.357 300 I CB -0.763 37.238 38.000 0.002 0.000 1.051 300 I HN 0.114 nan 8.210 nan 0.000 0.409 301 P HA -0.229 nan 4.420 nan 0.000 0.218 301 P C 1.415 178.701 177.300 -0.023 0.000 1.146 301 P CA 1.550 64.636 63.100 -0.022 0.000 0.813 301 P CB -0.175 31.515 31.700 -0.017 0.000 0.778 302 K N 0.109 120.506 120.400 -0.005 0.000 2.009 302 K HA -0.210 4.109 4.320 -0.001 0.000 0.210 302 K C 2.411 178.998 176.600 -0.023 0.000 1.049 302 K CA 1.454 57.741 56.287 0.001 0.000 0.929 302 K CB -0.212 32.309 32.500 0.034 0.000 0.714 302 K HN -0.203 nan 8.250 nan 0.000 0.440 303 R N 1.145 121.618 120.500 -0.044 0.000 2.096 303 R HA -0.018 4.321 4.340 -0.001 0.000 0.235 303 R C 2.190 178.400 176.300 -0.150 0.000 1.127 303 R CA 1.305 57.313 56.100 -0.154 0.000 0.968 303 R CB -0.680 29.431 30.300 -0.315 0.000 0.861 303 R HN 0.303 nan 8.270 nan 0.000 0.440 304 L N -0.610 120.545 121.223 -0.113 0.000 2.012 304 L HA -0.180 4.159 4.340 -0.001 0.000 0.210 304 L C 2.284 179.104 176.870 -0.083 0.000 1.073 304 L CA 1.254 56.030 54.840 -0.106 0.000 0.748 304 L CB -0.551 41.454 42.059 -0.090 0.000 0.891 304 L HN 0.027 nan 8.230 nan 0.000 0.431 305 V N -0.095 119.781 119.914 -0.062 0.000 2.392 305 V HA -0.293 3.826 4.120 -0.001 0.000 0.249 305 V C 2.386 178.455 176.094 -0.041 0.000 1.059 305 V CA 1.858 64.130 62.300 -0.046 0.000 1.051 305 V CB -0.503 31.299 31.823 -0.035 0.000 0.658 305 V HN 0.483 nan 8.190 nan 0.000 0.455 306 E N -0.027 120.145 120.200 -0.046 0.000 2.077 306 E HA -0.182 4.167 4.350 -0.001 0.000 0.193 306 E C 2.152 178.736 176.600 -0.028 0.000 0.989 306 E CA 1.165 57.544 56.400 -0.037 0.000 0.800 306 E CB -0.211 29.462 29.700 -0.045 0.000 0.746 306 E HN 0.515 nan 8.360 nan 0.000 0.452 307 L N 0.917 122.111 121.223 -0.048 0.000 2.362 307 L HA -0.125 4.214 4.340 -0.001 0.000 0.219 307 L C 2.184 179.049 176.870 -0.009 0.000 1.134 307 L CA 0.369 55.196 54.840 -0.022 0.000 0.807 307 L CB -0.304 41.701 42.059 -0.090 0.000 0.927 307 L HN 0.181 nan 8.230 nan 0.000 0.447 308 L N -0.393 120.814 121.223 -0.026 0.000 2.353 308 L HA -0.142 4.197 4.340 -0.001 0.000 0.220 308 L C 2.025 178.900 176.870 0.009 0.000 1.133 308 L CA 1.182 56.011 54.840 -0.018 0.000 0.798 308 L CB -0.459 41.585 42.059 -0.025 0.000 0.922 308 L HN 0.378 nan 8.230 nan 0.000 0.445 309 S N -3.108 112.604 115.700 0.019 0.000 2.575 309 S HA 0.069 4.538 4.470 -0.001 0.000 0.237 309 S C 0.606 175.227 174.600 0.036 0.000 0.975 309 S CA -0.617 57.595 58.200 0.020 0.000 0.960 309 S CB -0.412 62.788 63.200 -0.001 0.000 0.822 309 S HN 0.304 nan 8.310 nan 0.000 0.472 310 H N 3.146 122.196 119.070 -0.033 0.000 2.852 310 H HA 0.064 4.619 4.556 -0.001 0.000 0.362 310 H C 1.470 176.788 175.328 -0.017 0.000 1.122 310 H CA 1.079 57.110 56.048 -0.028 0.000 1.419 310 H CB 0.950 30.688 29.762 -0.039 0.000 1.401 310 H HN 0.480 nan 8.280 nan 0.000 0.609 311 E N 2.118 122.285 120.200 -0.055 0.000 2.204 311 E HA -0.121 4.228 4.350 -0.001 0.000 0.194 311 E C 0.437 177.141 176.600 0.173 0.000 0.989 311 E CA 0.309 56.732 56.400 0.038 0.000 0.824 311 E CB -0.028 29.638 29.700 -0.056 0.000 0.756 311 E HN 0.208 nan 8.360 nan 0.000 0.477 312 S N 1.262 117.197 115.700 0.392 0.000 2.452 312 S HA 0.151 4.621 4.470 -0.001 0.000 0.284 312 S C 1.069 175.719 174.600 0.084 0.000 1.171 312 S CA 0.055 58.368 58.200 0.189 0.000 1.064 312 S CB 1.123 64.402 63.200 0.131 0.000 0.967 312 S HN 0.343 nan 8.310 nan 0.000 0.484 313 T N 3.872 118.461 114.554 0.059 0.000 3.007 313 T HA -0.035 4.314 4.350 -0.001 0.000 0.270 313 T C 1.699 176.408 174.700 0.014 0.000 1.107 313 T CA 0.756 62.875 62.100 0.033 0.000 1.118 313 T CB -0.402 68.492 68.868 0.044 0.000 0.889 313 T HN 0.630 nan 8.240 nan 0.000 0.506 314 L N 0.411 121.648 121.223 0.024 0.000 2.265 314 L HA -0.001 4.338 4.340 -0.001 0.000 0.215 314 L C 2.512 179.343 176.870 -0.065 0.000 1.117 314 L CA 0.552 55.416 54.840 0.040 0.000 0.782 314 L CB -0.403 41.697 42.059 0.069 0.000 0.914 314 L HN 0.241 nan 8.230 nan 0.000 0.441 315 V N -1.335 118.487 119.914 -0.153 0.000 2.672 315 V HA -0.111 4.008 4.120 -0.001 0.000 0.242 315 V C 2.224 178.189 176.094 -0.215 0.000 1.059 315 V CA 0.760 62.902 62.300 -0.264 0.000 1.081 315 V CB -0.113 31.413 31.823 -0.495 0.000 0.752 315 V HN 0.345 nan 8.190 nan 0.000 0.472 316 Q N 0.136 119.861 119.800 -0.123 0.000 2.014 316 Q HA -0.243 4.097 4.340 -0.001 0.000 0.207 316 Q C 2.349 178.267 176.000 -0.136 0.000 0.993 316 Q CA 2.535 58.285 55.803 -0.088 0.000 0.850 316 Q CB -0.576 28.147 28.738 -0.025 0.000 0.916 316 Q HN 0.554 nan 8.270 nan 0.000 0.417 317 T N 1.442 115.915 114.554 -0.134 0.000 2.597 317 T HA -0.156 4.194 4.350 -0.001 0.000 0.267 317 T C -1.055 173.436 174.700 -0.350 0.000 1.053 317 T CA 2.005 64.008 62.100 -0.163 0.000 1.165 317 T CB -1.086 67.745 68.868 -0.062 0.000 0.863 317 T HN 0.314 nan 8.240 nan 0.000 0.427 318 P HA 0.084 nan 4.420 nan 0.000 0.217 318 P C 1.360 178.358 177.300 -0.503 0.000 1.151 318 P CA 1.282 63.798 63.100 -0.973 0.000 0.828 318 P CB -0.192 30.475 31.700 -1.722 0.000 0.788 319 A N 0.461 123.059 122.820 -0.371 0.000 1.877 319 A HA -0.179 4.140 4.320 -0.001 0.000 0.216 319 A C 2.239 179.733 177.584 -0.150 0.000 1.186 319 A CA 1.676 53.575 52.037 -0.229 0.000 0.620 319 A CB -1.723 17.166 19.000 -0.185 0.000 0.822 319 A HN 0.167 nan 8.150 nan 0.000 0.443 320 L N -0.343 120.807 121.223 -0.123 0.000 2.042 320 L HA -0.147 4.192 4.340 -0.001 0.000 0.210 320 L C 2.370 179.238 176.870 -0.003 0.000 1.076 320 L CA 2.525 57.336 54.840 -0.048 0.000 0.749 320 L CB -0.703 41.346 42.059 -0.016 0.000 0.893 320 L HN 0.396 nan 8.230 nan 0.000 0.432 321 R N 0.147 120.625 120.500 -0.037 0.000 2.073 321 R HA -0.039 4.300 4.340 -0.001 0.000 0.234 321 R C 2.191 178.528 176.300 0.062 0.000 1.134 321 R CA 1.760 57.897 56.100 0.061 0.000 0.952 321 R CB -1.080 29.205 30.300 -0.026 0.000 0.850 321 R HN 0.471 nan 8.270 nan 0.000 0.433 322 A N -0.223 122.570 122.820 -0.044 0.000 1.908 322 A HA -0.132 4.187 4.320 -0.001 0.000 0.218 322 A C 2.371 179.943 177.584 -0.020 0.000 1.181 322 A CA 1.928 53.946 52.037 -0.032 0.000 0.627 322 A CB -0.860 18.089 19.000 -0.084 0.000 0.818 322 A HN 0.192 nan 8.150 nan 0.000 0.445 323 V N -0.127 119.762 119.914 -0.041 0.000 2.343 323 V HA -0.193 3.926 4.120 -0.001 0.000 0.247 323 V C 2.811 178.853 176.094 -0.085 0.000 1.051 323 V CA 1.997 64.263 62.300 -0.058 0.000 1.036 323 V CB -1.430 30.355 31.823 -0.063 0.000 0.654 323 V HN 0.632 nan 8.190 nan 0.000 0.451 324 G N -0.049 108.710 108.800 -0.068 0.000 2.432 324 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.219 324 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.219 324 G C 1.436 176.194 174.900 -0.237 0.000 1.135 324 G CA 0.911 45.853 45.100 -0.263 0.000 0.767 324 G HN 0.521 nan 8.290 nan 0.000 0.550 325 N N 0.577 119.293 118.700 0.026 0.000 2.171 325 N HA 0.007 4.746 4.740 -0.001 0.000 0.184 325 N C 2.222 177.720 175.510 -0.019 0.000 1.021 325 N CA 0.522 53.618 53.050 0.077 0.000 0.854 325 N CB -0.260 38.300 38.487 0.122 0.000 0.994 325 N HN 0.328 nan 8.380 nan 0.000 0.426 326 I N 0.943 121.491 120.570 -0.037 0.000 2.264 326 I HA -0.213 3.956 4.170 -0.001 0.000 0.248 326 I C 1.806 177.872 176.117 -0.084 0.000 1.111 326 I CA 0.952 62.221 61.300 -0.050 0.000 1.382 326 I CB -0.216 37.757 38.000 -0.046 0.000 1.060 326 I HN 0.009 nan 8.210 nan 0.000 0.418 327 V N -2.107 117.725 119.914 -0.136 0.000 3.510 327 V HA -0.049 4.070 4.120 -0.001 0.000 0.270 327 V C 2.120 178.107 176.094 -0.179 0.000 1.201 327 V CA 1.284 63.486 62.300 -0.164 0.000 1.166 327 V CB -1.636 30.062 31.823 -0.208 0.000 0.825 327 V HN 0.530 nan 8.190 nan 0.000 0.484 328 T N -1.833 112.628 114.554 -0.154 0.000 3.035 328 T HA 0.190 4.539 4.350 -0.001 0.000 0.268 328 T C 1.308 175.964 174.700 -0.074 0.000 1.109 328 T CA 0.655 62.690 62.100 -0.109 0.000 1.119 328 T CB -0.571 68.275 68.868 -0.038 0.000 0.900 328 T HN 0.750 nan 8.240 nan 0.000 0.503 329 G N 2.587 111.346 108.800 -0.070 0.000 2.590 329 G HA2 0.320 4.279 3.960 -0.001 0.000 0.276 329 G HA3 0.320 4.279 3.960 -0.001 0.000 0.276 329 G C 0.120 174.988 174.900 -0.054 0.000 1.337 329 G CA -0.466 44.600 45.100 -0.057 0.000 1.030 329 G HN 0.723 nan 8.290 nan 0.000 0.534 330 N N -1.039 117.634 118.700 -0.044 0.000 2.354 330 N HA 0.088 4.827 4.740 -0.001 0.000 0.246 330 N C 0.522 176.009 175.510 -0.038 0.000 1.285 330 N CA -0.012 53.015 53.050 -0.037 0.000 0.925 330 N CB 0.511 38.980 38.487 -0.030 0.000 1.174 330 N HN 0.314 nan 8.380 nan 0.000 0.478 331 D N -0.125 120.256 120.400 -0.032 0.000 2.133 331 D HA -0.168 4.471 4.640 -0.001 0.000 0.192 331 D C 1.732 178.014 176.300 -0.030 0.000 1.001 331 D CA 1.272 55.254 54.000 -0.031 0.000 0.844 331 D CB -0.296 40.490 40.800 -0.024 0.000 0.944 331 D HN 0.497 nan 8.370 nan 0.000 0.447 332 L N 0.273 121.481 121.223 -0.025 0.000 2.042 332 L HA -0.232 4.107 4.340 -0.001 0.000 0.210 332 L C 2.553 179.408 176.870 -0.025 0.000 1.076 332 L CA 1.288 56.115 54.840 -0.022 0.000 0.749 332 L CB -0.282 41.767 42.059 -0.017 0.000 0.893 332 L HN 0.079 nan 8.230 nan 0.000 0.432 333 Q N -1.090 118.692 119.800 -0.029 0.000 2.079 333 Q HA -0.167 4.172 4.340 -0.001 0.000 0.200 333 Q C 2.174 178.149 176.000 -0.041 0.000 0.974 333 Q CA 1.960 57.744 55.803 -0.032 0.000 0.840 333 Q CB -0.185 28.531 28.738 -0.037 0.000 0.898 333 Q HN 0.445 nan 8.270 nan 0.000 0.430 334 T N 0.763 115.288 114.554 -0.049 0.000 2.720 334 T HA -0.213 4.136 4.350 -0.001 0.000 0.268 334 T C 1.748 176.418 174.700 -0.049 0.000 1.037 334 T CA 1.528 63.592 62.100 -0.060 0.000 1.144 334 T CB -0.188 68.641 68.868 -0.067 0.000 0.864 334 T HN 0.160 nan 8.240 nan 0.000 0.444 335 Q N 0.762 120.539 119.800 -0.039 0.000 2.170 335 Q HA -0.044 4.295 4.340 -0.001 0.000 0.203 335 Q C 2.145 178.128 176.000 -0.028 0.000 0.976 335 Q CA 1.074 56.858 55.803 -0.032 0.000 0.858 335 Q CB -0.665 28.058 28.738 -0.026 0.000 0.907 335 Q HN 0.370 nan 8.270 nan 0.000 0.433 336 V N -0.802 119.096 119.914 -0.027 0.000 2.407 336 V HA -0.216 3.903 4.120 -0.001 0.000 0.248 336 V C 2.090 178.169 176.094 -0.025 0.000 1.055 336 V CA 1.530 63.818 62.300 -0.021 0.000 1.049 336 V CB -0.383 31.429 31.823 -0.018 0.000 0.662 336 V HN 0.224 nan 8.190 nan 0.000 0.455 337 V N -0.483 119.411 119.914 -0.034 0.000 2.407 337 V HA -0.144 3.975 4.120 -0.001 0.000 0.245 337 V C 2.117 178.189 176.094 -0.038 0.000 1.041 337 V CA 1.702 63.979 62.300 -0.039 0.000 1.040 337 V CB -0.265 31.525 31.823 -0.054 0.000 0.671 337 V HN 0.424 nan 8.190 nan 0.000 0.455 338 I N 0.644 121.191 120.570 -0.039 0.000 2.226 338 I HA -0.217 3.952 4.170 -0.001 0.000 0.245 338 I C 2.233 178.334 176.117 -0.027 0.000 1.100 338 I CA 1.361 62.640 61.300 -0.035 0.000 1.374 338 I CB -0.462 37.516 38.000 -0.036 0.000 1.057 338 I HN 0.348 nan 8.210 nan 0.000 0.413 339 N N 1.099 119.785 118.700 -0.024 0.000 2.309 339 N HA -0.079 4.660 4.740 -0.001 0.000 0.182 339 N C 1.634 177.135 175.510 -0.015 0.000 1.018 339 N CA 1.300 54.340 53.050 -0.018 0.000 0.876 339 N CB -0.214 38.264 38.487 -0.015 0.000 0.972 339 N HN 0.326 nan 8.380 nan 0.000 0.434 340 A N -0.559 122.251 122.820 -0.017 0.000 2.238 340 A HA 0.418 4.737 4.320 -0.001 0.000 0.208 340 A C 1.409 178.984 177.584 -0.016 0.000 1.177 340 A CA 0.844 52.873 52.037 -0.014 0.000 0.804 340 A CB -0.213 18.778 19.000 -0.015 0.000 0.823 340 A HN 0.303 nan 8.150 nan 0.000 0.482 341 G N -2.050 106.738 108.800 -0.019 0.000 2.148 341 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.203 341 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.203 341 G C 0.925 175.812 174.900 -0.022 0.000 0.993 341 G CA 0.488 45.578 45.100 -0.018 0.000 0.661 341 G HN 0.807 nan 8.290 nan 0.000 0.518 342 V N 0.685 120.582 119.914 -0.028 0.000 2.594 342 V HA -0.078 4.041 4.120 -0.001 0.000 0.253 342 V C 2.735 178.811 176.094 -0.029 0.000 1.069 342 V CA 2.725 65.006 62.300 -0.032 0.000 1.082 342 V CB -0.259 31.538 31.823 -0.044 0.000 0.680 342 V HN 0.541 nan 8.190 nan 0.000 0.469 343 L N 0.066 121.272 121.223 -0.027 0.000 2.017 343 L HA -0.091 4.248 4.340 -0.001 0.000 0.208 343 L C 0.112 176.973 176.870 -0.015 0.000 1.073 343 L CA 1.796 56.622 54.840 -0.023 0.000 0.745 343 L CB -1.932 40.112 42.059 -0.024 0.000 0.894 343 L HN 0.330 nan 8.230 nan 0.000 0.432 344 P HA -0.147 nan 4.420 nan 0.000 0.217 344 P C 1.414 178.710 177.300 -0.007 0.000 1.150 344 P CA 1.649 64.745 63.100 -0.008 0.000 0.832 344 P CB -0.005 31.690 31.700 -0.009 0.000 0.787 345 A N -0.501 122.312 122.820 -0.011 0.000 1.898 345 A HA -0.141 4.178 4.320 -0.001 0.000 0.216 345 A C 2.165 179.745 177.584 -0.006 0.000 1.181 345 A CA 1.299 53.330 52.037 -0.009 0.000 0.620 345 A CB -1.652 17.338 19.000 -0.015 0.000 0.819 345 A HN 0.118 nan 8.150 nan 0.000 0.442 346 L N -1.085 120.133 121.223 -0.008 0.000 2.131 346 L HA -0.161 4.178 4.340 -0.001 0.000 0.210 346 L C 2.793 179.667 176.870 0.007 0.000 1.092 346 L CA 0.954 55.793 54.840 -0.002 0.000 0.759 346 L CB -0.451 41.602 42.059 -0.009 0.000 0.903 346 L HN 0.276 nan 8.230 nan 0.000 0.435 347 R N 0.517 121.020 120.500 0.005 0.000 2.081 347 R HA -0.142 4.197 4.340 -0.001 0.000 0.235 347 R C 2.158 178.466 176.300 0.012 0.000 1.131 347 R CA 1.474 57.580 56.100 0.010 0.000 0.960 347 R CB -0.855 29.450 30.300 0.008 0.000 0.856 347 R HN 0.341 nan 8.270 nan 0.000 0.436 348 L N 0.551 121.779 121.223 0.008 0.000 2.046 348 L HA -0.145 4.194 4.340 -0.001 0.000 0.208 348 L C 2.022 178.901 176.870 0.014 0.000 1.077 348 L CA 1.522 56.368 54.840 0.009 0.000 0.747 348 L CB -0.323 41.740 42.059 0.006 0.000 0.896 348 L HN 0.209 nan 8.230 nan 0.000 0.432 349 L N -0.611 120.620 121.223 0.015 0.000 2.291 349 L HA -0.176 4.163 4.340 -0.001 0.000 0.214 349 L C 2.417 179.303 176.870 0.027 0.000 1.120 349 L CA 0.384 55.236 54.840 0.020 0.000 0.799 349 L CB -0.257 41.813 42.059 0.020 0.000 0.925 349 L HN 0.276 nan 8.230 nan 0.000 0.446 350 L N -0.355 120.884 121.223 0.026 0.000 2.456 350 L HA -0.082 4.257 4.340 -0.001 0.000 0.224 350 L C 1.471 178.358 176.870 0.028 0.000 1.148 350 L CA 0.785 55.644 54.840 0.031 0.000 0.825 350 L CB -0.221 41.857 42.059 0.031 0.000 0.937 350 L HN 0.363 nan 8.230 nan 0.000 0.450 351 S N -2.623 113.091 115.700 0.023 0.000 2.581 351 S HA 0.137 4.606 4.470 -0.001 0.000 0.245 351 S C 0.345 174.958 174.600 0.021 0.000 1.115 351 S CA -0.589 57.624 58.200 0.021 0.000 1.093 351 S CB 0.402 63.612 63.200 0.018 0.000 0.853 351 S HN 0.168 nan 8.310 nan 0.000 0.479 352 S N 2.077 117.791 115.700 0.024 0.000 2.592 352 S HA 0.381 4.850 4.470 -0.001 0.000 0.271 352 S C -1.481 173.134 174.600 0.026 0.000 1.326 352 S CA -1.135 57.080 58.200 0.025 0.000 1.024 352 S CB 0.655 63.872 63.200 0.028 0.000 0.921 352 S HN 0.171 nan 8.310 nan 0.000 0.527 353 P HA 0.007 nan 4.420 nan 0.000 0.217 353 P C -0.380 176.936 177.300 0.028 0.000 1.150 353 P CA 0.977 64.092 63.100 0.025 0.000 0.832 353 P CB 0.108 31.823 31.700 0.025 0.000 0.787 354 K N 0.765 121.183 120.400 0.031 0.000 2.379 354 K HA -0.009 4.310 4.320 -0.001 0.000 0.284 354 K C 1.170 177.791 176.600 0.034 0.000 1.044 354 K CA 0.165 56.472 56.287 0.034 0.000 0.974 354 K CB 0.816 33.339 32.500 0.038 0.000 0.962 354 K HN -0.024 nan 8.250 nan 0.000 0.474 355 E N 2.944 123.164 120.200 0.033 0.000 2.077 355 E HA -0.199 4.150 4.350 -0.001 0.000 0.193 355 E C 0.934 177.557 176.600 0.039 0.000 0.989 355 E CA 1.600 58.020 56.400 0.034 0.000 0.800 355 E CB 0.125 29.844 29.700 0.031 0.000 0.746 355 E HN 0.446 nan 8.360 nan 0.000 0.452 356 N N 0.058 118.781 118.700 0.038 0.000 2.309 356 N HA -0.084 4.655 4.740 -0.001 0.000 0.182 356 N C 1.575 177.113 175.510 0.046 0.000 1.018 356 N CA 0.794 53.867 53.050 0.039 0.000 0.876 356 N CB -0.088 38.421 38.487 0.038 0.000 0.972 356 N HN 0.258 nan 8.380 nan 0.000 0.434 357 I N 1.377 121.975 120.570 0.045 0.000 2.226 357 I HA -0.205 3.965 4.170 -0.001 0.000 0.245 357 I C 1.932 178.082 176.117 0.056 0.000 1.100 357 I CA 1.087 62.415 61.300 0.046 0.000 1.374 357 I CB -0.600 37.422 38.000 0.037 0.000 1.057 357 I HN 0.149 nan 8.210 nan 0.000 0.413 358 K N 0.799 121.230 120.400 0.052 0.000 2.097 358 K HA -0.205 4.114 4.320 -0.001 0.000 0.206 358 K C 2.154 178.799 176.600 0.076 0.000 1.049 358 K CA 1.152 57.473 56.287 0.057 0.000 0.933 358 K CB -0.127 32.401 32.500 0.048 0.000 0.717 358 K HN 0.227 nan 8.250 nan 0.000 0.442 359 K N 1.278 121.723 120.400 0.075 0.000 2.057 359 K HA -0.162 4.157 4.320 -0.001 0.000 0.207 359 K C 1.794 178.476 176.600 0.137 0.000 1.049 359 K CA 1.319 57.660 56.287 0.091 0.000 0.931 359 K CB 0.184 32.719 32.500 0.058 0.000 0.714 359 K HN 0.061 nan 8.250 nan 0.000 0.440 360 E N 0.002 120.281 120.200 0.132 0.000 2.208 360 E HA -0.119 4.230 4.350 -0.001 0.000 0.193 360 E C 1.864 178.620 176.600 0.260 0.000 0.988 360 E CA 0.864 57.402 56.400 0.229 0.000 0.828 360 E CB 0.048 29.847 29.700 0.164 0.000 0.763 360 E HN 0.416 nan 8.360 nan 0.000 0.478 361 A N 0.793 123.701 122.820 0.148 0.000 1.898 361 A HA -0.153 4.166 4.320 -0.001 0.000 0.216 361 A C 2.565 180.207 177.584 0.096 0.000 1.181 361 A CA 1.090 53.185 52.037 0.097 0.000 0.620 361 A CB -0.782 18.256 19.000 0.063 0.000 0.819 361 A HN 0.303 nan 8.150 nan 0.000 0.442 362 C N -2.579 116.798 119.300 0.128 0.000 2.436 362 C HA -0.132 4.327 4.460 -0.001 0.000 0.277 362 C C 2.341 177.429 174.990 0.164 0.000 1.241 362 C CA 0.681 59.778 59.018 0.131 0.000 1.721 362 C CB -1.580 26.247 27.740 0.145 0.000 2.043 362 C HN 0.878 nan 8.230 nan 0.000 0.472 363 W N 1.886 123.197 121.300 0.018 0.000 2.302 363 W HA -0.228 4.431 4.660 -0.001 0.000 0.320 363 W C 2.319 178.824 176.519 -0.022 0.000 1.241 363 W CA 2.606 59.941 57.345 -0.016 0.000 1.264 363 W CB -0.931 28.507 29.460 -0.037 0.000 1.154 363 W HN 0.227 nan 8.180 nan 0.000 0.483 364 T N 1.299 115.756 114.554 -0.162 0.000 2.708 364 T HA -0.220 4.129 4.350 -0.001 0.000 0.266 364 T C 1.856 176.393 174.700 -0.272 0.000 1.037 364 T CA 2.237 64.091 62.100 -0.410 0.000 1.146 364 T CB -0.486 68.270 68.868 -0.187 0.000 0.865 364 T HN 0.184 nan 8.240 nan 0.000 0.435 365 I N 1.846 122.345 120.570 -0.117 0.000 2.361 365 I HA -0.182 3.987 4.170 -0.001 0.000 0.251 365 I C 2.749 178.825 176.117 -0.068 0.000 1.133 365 I CA 1.253 62.510 61.300 -0.072 0.000 1.413 365 I CB -0.396 37.599 38.000 -0.010 0.000 1.073 365 I HN 0.315 nan 8.210 nan 0.000 0.424 366 S N 0.743 116.409 115.700 -0.058 0.000 2.402 366 S HA -0.145 4.324 4.470 -0.001 0.000 0.229 366 S C 1.770 176.321 174.600 -0.081 0.000 1.021 366 S CA 1.116 59.316 58.200 -0.000 0.000 0.974 366 S CB -0.444 62.814 63.200 0.097 0.000 0.800 366 S HN 0.405 nan 8.310 nan 0.000 0.484 367 N N 1.180 119.737 118.700 -0.238 0.000 2.515 367 N HA 0.238 4.977 4.740 -0.001 0.000 0.185 367 N C 1.329 176.738 175.510 -0.169 0.000 1.109 367 N CA 0.639 53.538 53.050 -0.252 0.000 0.903 367 N CB -0.237 37.993 38.487 -0.430 0.000 0.969 367 N HN 0.565 nan 8.380 nan 0.000 0.450 368 I N -0.174 120.316 120.570 -0.134 0.000 2.927 368 I HA -0.091 4.078 4.170 -0.001 0.000 0.268 368 I C 1.898 177.985 176.117 -0.049 0.000 1.153 368 I CA 0.784 62.029 61.300 -0.091 0.000 1.459 368 I CB -0.138 37.809 38.000 -0.088 0.000 1.149 368 I HN 0.071 nan 8.210 nan 0.000 0.443 369 T N -0.950 113.587 114.554 -0.028 0.000 3.113 369 T HA 0.099 4.449 4.350 -0.001 0.000 0.263 369 T C 1.662 176.372 174.700 0.017 0.000 1.143 369 T CA 0.732 62.834 62.100 0.004 0.000 1.090 369 T CB -0.076 68.810 68.868 0.030 0.000 0.922 369 T HN 0.266 nan 8.240 nan 0.000 0.521 370 A N 1.002 123.825 122.820 0.004 0.000 2.208 370 A HA 0.582 4.901 4.320 -0.001 0.000 0.209 370 A C 1.562 179.144 177.584 -0.003 0.000 1.161 370 A CA 0.293 52.340 52.037 0.015 0.000 0.782 370 A CB -0.827 18.173 19.000 -0.000 0.000 0.816 370 A HN 0.629 nan 8.150 nan 0.000 0.477 371 G N 0.422 109.211 108.800 -0.019 0.000 2.494 371 G HA2 0.341 4.300 3.960 -0.001 0.000 0.270 371 G HA3 0.341 4.300 3.960 -0.001 0.000 0.270 371 G C 0.189 175.081 174.900 -0.013 0.000 1.423 371 G CA -0.039 45.046 45.100 -0.024 0.000 1.055 371 G HN 0.620 nan 8.290 nan 0.000 0.536 372 N N -1.980 116.710 118.700 -0.016 0.000 2.327 372 N HA 0.160 4.899 4.740 -0.001 0.000 0.257 372 N C 1.085 176.588 175.510 -0.011 0.000 1.281 372 N CA 0.313 53.357 53.050 -0.011 0.000 0.942 372 N CB -0.283 38.197 38.487 -0.012 0.000 1.199 372 N HN 0.224 nan 8.380 nan 0.000 0.532 373 T N -0.375 114.173 114.554 -0.009 0.000 2.821 373 T HA -0.105 4.245 4.350 -0.001 0.000 0.267 373 T C 1.087 175.776 174.700 -0.018 0.000 1.046 373 T CA 1.510 63.604 62.100 -0.011 0.000 1.139 373 T CB -0.395 68.468 68.868 -0.008 0.000 0.871 373 T HN 0.553 nan 8.240 nan 0.000 0.454 374 E N 1.326 121.515 120.200 -0.019 0.000 2.077 374 E HA -0.145 4.204 4.350 -0.001 0.000 0.193 374 E C 2.421 179.003 176.600 -0.029 0.000 0.989 374 E CA 1.104 57.490 56.400 -0.024 0.000 0.800 374 E CB -0.167 29.520 29.700 -0.022 0.000 0.746 374 E HN 0.547 nan 8.360 nan 0.000 0.452 375 Q N 0.027 119.810 119.800 -0.027 0.000 2.123 375 Q HA -0.030 4.309 4.340 -0.001 0.000 0.199 375 Q C 2.198 178.180 176.000 -0.030 0.000 0.966 375 Q CA 0.835 56.619 55.803 -0.031 0.000 0.845 375 Q CB -0.001 28.717 28.738 -0.032 0.000 0.907 375 Q HN 0.332 nan 8.270 nan 0.000 0.439 376 I N 0.481 121.037 120.570 -0.024 0.000 2.361 376 I HA -0.281 3.888 4.170 -0.001 0.000 0.251 376 I C 2.423 178.518 176.117 -0.037 0.000 1.133 376 I CA 0.994 62.282 61.300 -0.020 0.000 1.413 376 I CB -0.088 37.907 38.000 -0.008 0.000 1.073 376 I HN 0.226 nan 8.210 nan 0.000 0.424 377 Q N 1.252 121.025 119.800 -0.045 0.000 2.123 377 Q HA -0.095 4.244 4.340 -0.001 0.000 0.199 377 Q C 2.186 178.143 176.000 -0.072 0.000 0.966 377 Q CA 1.865 57.627 55.803 -0.068 0.000 0.845 377 Q CB -0.206 28.496 28.738 -0.059 0.000 0.907 377 Q HN 0.468 nan 8.270 nan 0.000 0.439 378 A N -0.514 122.274 122.820 -0.053 0.000 1.902 378 A HA -0.144 4.175 4.320 -0.001 0.000 0.217 378 A C 2.262 179.817 177.584 -0.049 0.000 1.181 378 A CA 1.635 53.644 52.037 -0.048 0.000 0.623 378 A CB -0.927 18.049 19.000 -0.039 0.000 0.818 378 A HN 0.274 nan 8.150 nan 0.000 0.443 379 V N 0.234 120.122 119.914 -0.043 0.000 2.287 379 V HA -0.295 3.824 4.120 -0.001 0.000 0.248 379 V C 2.447 178.517 176.094 -0.041 0.000 1.053 379 V CA 2.193 64.474 62.300 -0.032 0.000 1.027 379 V CB -0.618 31.194 31.823 -0.017 0.000 0.646 379 V HN 0.592 nan 8.190 nan 0.000 0.447 380 I N 0.131 120.653 120.570 -0.079 0.000 2.179 380 I HA -0.250 3.919 4.170 -0.001 0.000 0.242 380 I C 2.239 178.254 176.117 -0.171 0.000 1.088 380 I CA 1.756 62.955 61.300 -0.168 0.000 1.357 380 I CB -0.595 37.219 38.000 -0.309 0.000 1.051 380 I HN 0.334 nan 8.210 nan 0.000 0.409 381 D N 1.223 121.541 120.400 -0.136 0.000 2.221 381 D HA -0.135 4.504 4.640 -0.001 0.000 0.204 381 D C 1.867 178.134 176.300 -0.055 0.000 0.982 381 D CA 1.298 55.240 54.000 -0.098 0.000 0.857 381 D CB -0.154 40.600 40.800 -0.076 0.000 0.934 381 D HN 0.363 nan 8.370 nan 0.000 0.475 382 A N 0.522 123.317 122.820 -0.041 0.000 2.276 382 A HA -0.020 4.299 4.320 -0.001 0.000 0.212 382 A C 0.403 177.986 177.584 -0.002 0.000 1.230 382 A CA -0.117 51.909 52.037 -0.019 0.000 0.844 382 A CB -0.365 18.624 19.000 -0.017 0.000 0.860 382 A HN 0.104 nan 8.150 nan 0.000 0.486 383 N N -1.162 117.540 118.700 0.004 0.000 2.725 383 N HA -0.186 4.553 4.740 -0.001 0.000 0.249 383 N C 0.576 176.118 175.510 0.054 0.000 1.103 383 N CA 1.110 54.186 53.050 0.045 0.000 0.707 383 N CB -1.694 36.817 38.487 0.041 0.000 1.043 383 N HN 0.590 nan 8.380 nan 0.000 0.553 384 L N -0.334 120.916 121.223 0.045 0.000 2.270 384 L HA 0.026 4.365 4.340 -0.001 0.000 0.210 384 L C 2.186 179.099 176.870 0.071 0.000 1.104 384 L CA 0.303 55.171 54.840 0.046 0.000 0.804 384 L CB -0.128 41.949 42.059 0.029 0.000 0.937 384 L HN 0.169 nan 8.230 nan 0.000 0.450 385 I N 0.633 121.273 120.570 0.117 0.000 2.127 385 I HA -0.178 3.991 4.170 -0.001 0.000 0.241 385 I C 0.037 176.203 176.117 0.082 0.000 1.075 385 I CA 1.815 63.197 61.300 0.137 0.000 1.334 385 I CB -2.509 35.665 38.000 0.290 0.000 1.040 385 I HN 0.131 nan 8.210 nan 0.000 0.405 386 P HA -0.138 nan 4.420 nan 0.000 0.214 386 P C -1.172 176.140 177.300 0.021 0.000 1.163 386 P CA 2.275 65.391 63.100 0.027 0.000 0.889 386 P CB -1.360 30.359 31.700 0.031 0.000 0.790 387 P HA -0.127 nan 4.420 nan 0.000 0.217 387 P C 1.566 178.884 177.300 0.029 0.000 1.150 387 P CA 1.170 64.285 63.100 0.026 0.000 0.832 387 P CB -0.397 31.321 31.700 0.029 0.000 0.787 388 L N -0.330 120.916 121.223 0.038 0.000 2.042 388 L HA -0.120 4.219 4.340 -0.001 0.000 0.210 388 L C 2.755 179.645 176.870 0.033 0.000 1.076 388 L CA 1.496 56.362 54.840 0.044 0.000 0.749 388 L CB -1.691 40.400 42.059 0.054 0.000 0.893 388 L HN -0.162 nan 8.230 nan 0.000 0.432 389 V N -0.666 119.259 119.914 0.020 0.000 2.358 389 V HA -0.288 3.831 4.120 -0.001 0.000 0.246 389 V C 2.580 178.674 176.094 -0.001 0.000 1.047 389 V CA 1.739 64.040 62.300 0.001 0.000 1.035 389 V CB -0.481 31.329 31.823 -0.022 0.000 0.658 389 V HN 0.409 nan 8.190 nan 0.000 0.452 390 K N 0.231 120.632 120.400 0.002 0.000 2.063 390 K HA -0.143 4.176 4.320 -0.001 0.000 0.208 390 K C 1.953 178.559 176.600 0.010 0.000 1.048 390 K CA 1.667 57.955 56.287 0.002 0.000 0.928 390 K CB -0.377 32.126 32.500 0.004 0.000 0.713 390 K HN 0.398 nan 8.250 nan 0.000 0.442 391 L N 0.201 121.436 121.223 0.020 0.000 2.093 391 L HA -0.127 4.213 4.340 -0.001 0.000 0.208 391 L C 2.241 179.128 176.870 0.027 0.000 1.085 391 L CA 0.443 55.300 54.840 0.027 0.000 0.755 391 L CB -0.439 41.643 42.059 0.039 0.000 0.904 391 L HN 0.223 nan 8.230 nan 0.000 0.435 392 L N 0.438 121.676 121.223 0.025 0.000 2.187 392 L HA -0.221 4.118 4.340 -0.001 0.000 0.213 392 L C 2.460 179.337 176.870 0.011 0.000 1.100 392 L CA 1.843 56.696 54.840 0.021 0.000 0.765 392 L CB -0.432 41.635 42.059 0.014 0.000 0.904 392 L HN 0.431 nan 8.230 nan 0.000 0.437 393 E N -1.647 118.556 120.200 0.006 0.000 2.216 393 E HA -0.026 4.323 4.350 -0.001 0.000 0.192 393 E C 1.503 178.106 176.600 0.005 0.000 0.973 393 E CA 1.163 57.563 56.400 0.001 0.000 0.851 393 E CB -0.165 29.531 29.700 -0.007 0.000 0.804 393 E HN 0.369 nan 8.360 nan 0.000 0.477 394 V N -2.490 117.429 119.914 0.009 0.000 3.398 394 V HA 0.558 4.677 4.120 -0.001 0.000 0.298 394 V C 0.739 176.842 176.094 0.015 0.000 1.496 394 V CA -0.161 62.145 62.300 0.010 0.000 1.044 394 V CB 0.376 32.204 31.823 0.008 0.000 0.880 394 V HN 0.254 nan 8.190 nan 0.000 0.443 395 A N 0.669 123.502 122.820 0.020 0.000 2.272 395 A HA 0.568 4.887 4.320 -0.001 0.000 0.275 395 A C 0.280 177.880 177.584 0.026 0.000 1.096 395 A CA -0.385 51.668 52.037 0.026 0.000 0.822 395 A CB 0.114 19.134 19.000 0.034 0.000 1.088 395 A HN 0.594 nan 8.150 nan 0.000 0.495 396 E N -0.353 119.863 120.200 0.028 0.000 2.418 396 E HA -0.003 4.346 4.350 -0.001 0.000 0.261 396 E C -0.037 176.582 176.600 0.032 0.000 1.070 396 E CA -0.148 56.268 56.400 0.027 0.000 0.931 396 E CB 0.403 30.119 29.700 0.027 0.000 0.954 396 E HN 0.611 nan 8.360 nan 0.000 0.439 397 D N 2.089 122.507 120.400 0.030 0.000 2.133 397 D HA -0.255 4.385 4.640 -0.001 0.000 0.192 397 D C 1.844 178.172 176.300 0.047 0.000 1.001 397 D CA 1.842 55.863 54.000 0.035 0.000 0.844 397 D CB -0.053 40.765 40.800 0.029 0.000 0.944 397 D HN 0.506 nan 8.370 nan 0.000 0.447 398 K N -0.233 120.194 120.400 0.044 0.000 2.103 398 K HA -0.113 4.206 4.320 -0.001 0.000 0.207 398 K C 1.883 178.524 176.600 0.069 0.000 1.048 398 K CA 1.593 57.910 56.287 0.051 0.000 0.930 398 K CB -0.594 31.926 32.500 0.033 0.000 0.716 398 K HN 0.011 nan 8.250 nan 0.000 0.444 399 T N 1.305 115.897 114.554 0.063 0.000 2.812 399 T HA -0.027 4.323 4.350 -0.001 0.000 0.264 399 T C 1.662 176.413 174.700 0.086 0.000 1.042 399 T CA 1.193 63.338 62.100 0.074 0.000 1.140 399 T CB -0.049 68.854 68.868 0.058 0.000 0.870 399 T HN 0.300 nan 8.240 nan 0.000 0.445 400 K N 1.196 121.637 120.400 0.070 0.000 2.074 400 K HA -0.135 4.185 4.320 -0.001 0.000 0.209 400 K C 2.373 179.026 176.600 0.090 0.000 1.048 400 K CA 1.306 57.632 56.287 0.065 0.000 0.926 400 K CB -0.117 32.410 32.500 0.044 0.000 0.713 400 K HN 0.317 nan 8.250 nan 0.000 0.444 401 K N 0.715 121.183 120.400 0.113 0.000 2.002 401 K HA -0.168 4.151 4.320 -0.001 0.000 0.209 401 K C 2.132 178.910 176.600 0.296 0.000 1.048 401 K CA 1.301 57.688 56.287 0.166 0.000 0.930 401 K CB -0.073 32.541 32.500 0.189 0.000 0.714 401 K HN -0.008 nan 8.250 nan 0.000 0.438 402 E N 0.733 121.099 120.200 0.278 0.000 2.118 402 E HA -0.158 4.192 4.350 -0.001 0.000 0.195 402 E C 1.753 178.520 176.600 0.277 0.000 0.992 402 E CA 1.417 58.009 56.400 0.319 0.000 0.804 402 E CB -0.188 29.649 29.700 0.228 0.000 0.741 402 E HN 0.347 nan 8.360 nan 0.000 0.458 403 A N -0.263 122.667 122.820 0.183 0.000 1.930 403 A HA -0.177 4.142 4.320 -0.001 0.000 0.217 403 A C 2.513 180.171 177.584 0.123 0.000 1.175 403 A CA 1.344 53.462 52.037 0.135 0.000 0.627 403 A CB -1.092 17.961 19.000 0.089 0.000 0.815 403 A HN 0.502 nan 8.150 nan 0.000 0.443 404 C N -1.624 117.737 119.300 0.102 0.000 2.425 404 C HA -0.138 4.321 4.460 -0.001 0.000 0.277 404 C C 2.364 177.365 174.990 0.018 0.000 1.280 404 C CA 1.116 60.144 59.018 0.017 0.000 1.744 404 C CB -1.686 26.026 27.740 -0.048 0.000 1.989 404 C HN 0.737 nan 8.230 nan 0.000 0.491 405 W N 0.926 122.256 121.300 0.050 0.000 2.363 405 W HA -0.032 4.627 4.660 -0.002 0.000 0.296 405 W C 2.683 179.224 176.519 0.037 0.000 1.212 405 W CA 1.669 59.044 57.345 0.051 0.000 1.260 405 W CB -0.470 29.036 29.460 0.076 0.000 1.131 405 W HN 0.411 nan 8.180 nan 0.000 0.530 406 A N -0.162 122.821 122.820 0.271 0.000 1.898 406 A HA -0.145 4.174 4.320 -0.001 0.000 0.216 406 A C 1.844 179.495 177.584 0.112 0.000 1.181 406 A CA 1.585 53.718 52.037 0.161 0.000 0.620 406 A CB -0.794 18.279 19.000 0.121 0.000 0.819 406 A HN 0.289 nan 8.150 nan 0.000 0.442 407 I N -1.264 119.360 120.570 0.089 0.000 2.333 407 I HA -0.139 4.030 4.170 -0.001 0.000 0.246 407 I C 2.804 178.945 176.117 0.040 0.000 1.106 407 I CA 1.214 62.548 61.300 0.057 0.000 1.411 407 I CB -0.112 37.910 38.000 0.037 0.000 1.082 407 I HN 0.376 nan 8.210 nan 0.000 0.420 408 S N 1.115 116.827 115.700 0.020 0.000 2.348 408 S HA -0.187 4.283 4.470 -0.001 0.000 0.221 408 S C 1.892 176.513 174.600 0.034 0.000 1.033 408 S CA 1.744 59.936 58.200 -0.013 0.000 1.010 408 S CB -0.293 62.839 63.200 -0.114 0.000 0.891 408 S HN 0.387 nan 8.310 nan 0.000 0.442 409 N N 1.907 120.667 118.700 0.099 0.000 2.258 409 N HA -0.058 4.681 4.740 -0.001 0.000 0.187 409 N C 1.630 177.183 175.510 0.071 0.000 1.012 409 N CA 1.308 54.429 53.050 0.119 0.000 0.870 409 N CB -0.725 37.859 38.487 0.162 0.000 0.977 409 N HN 0.532 nan 8.380 nan 0.000 0.434 410 A N 0.275 123.131 122.820 0.061 0.000 2.014 410 A HA -0.046 4.273 4.320 -0.001 0.000 0.218 410 A C 2.189 179.796 177.584 0.039 0.000 1.163 410 A CA 1.413 53.478 52.037 0.047 0.000 0.652 410 A CB -0.536 18.496 19.000 0.054 0.000 0.808 410 A HN 0.411 nan 8.150 nan 0.000 0.449 411 S N -0.536 115.185 115.700 0.035 0.000 2.555 411 S HA -0.028 4.441 4.470 -0.001 0.000 0.230 411 S C 1.723 176.335 174.600 0.021 0.000 0.978 411 S CA 1.086 59.301 58.200 0.025 0.000 0.934 411 S CB -0.380 62.828 63.200 0.012 0.000 0.766 411 S HN 0.382 nan 8.310 nan 0.000 0.533 412 S N 1.947 117.663 115.700 0.027 0.000 2.356 412 S HA 0.020 4.489 4.470 -0.001 0.000 0.223 412 S C 2.023 176.636 174.600 0.021 0.000 1.032 412 S CA 1.281 59.497 58.200 0.027 0.000 1.005 412 S CB -1.045 62.176 63.200 0.036 0.000 0.867 412 S HN 0.771 nan 8.310 nan 0.000 0.449 413 G N 0.603 109.415 108.800 0.021 0.000 2.679 413 G HA2 0.097 4.056 3.960 -0.001 0.000 0.212 413 G HA3 0.097 4.056 3.960 -0.001 0.000 0.212 413 G C 1.223 176.132 174.900 0.014 0.000 1.137 413 G CA 0.620 45.728 45.100 0.015 0.000 0.787 413 G HN 0.552 nan 8.290 nan 0.000 0.534 414 G N 0.770 109.581 108.800 0.017 0.000 2.559 414 G HA2 -0.065 3.894 3.960 -0.001 0.000 0.216 414 G HA3 -0.065 3.894 3.960 -0.001 0.000 0.216 414 G C 1.579 176.487 174.900 0.013 0.000 1.126 414 G CA 0.384 45.495 45.100 0.017 0.000 0.778 414 G HN 0.466 nan 8.290 nan 0.000 0.543 415 L N -0.825 120.406 121.223 0.013 0.000 2.270 415 L HA 0.072 4.411 4.340 -0.001 0.000 0.210 415 L C 2.711 179.588 176.870 0.011 0.000 1.104 415 L CA 0.734 55.581 54.840 0.013 0.000 0.804 415 L CB -0.119 41.949 42.059 0.015 0.000 0.937 415 L HN 0.229 nan 8.230 nan 0.000 0.450 416 Q N -0.490 119.316 119.800 0.010 0.000 2.378 416 Q HA 0.133 4.472 4.340 -0.001 0.000 0.216 416 Q C 0.800 176.804 176.000 0.006 0.000 0.892 416 Q CA 0.135 55.943 55.803 0.007 0.000 0.931 416 Q CB 0.638 29.379 28.738 0.006 0.000 1.086 416 Q HN 0.175 nan 8.270 nan 0.000 0.528 417 R N 1.556 122.060 120.500 0.007 0.000 2.576 417 R HA 0.200 4.540 4.340 -0.001 0.000 0.283 417 R C -2.271 174.037 176.300 0.012 0.000 1.493 417 R CA -1.714 54.389 56.100 0.006 0.000 1.170 417 R CB 0.992 31.292 30.300 0.000 0.000 1.189 417 R HN -0.094 nan 8.270 nan 0.000 0.542 418 P HA -0.097 nan 4.420 nan 0.000 0.225 418 P C -0.142 177.177 177.300 0.031 0.000 1.148 418 P CA 0.997 64.109 63.100 0.020 0.000 0.779 418 P CB 0.422 32.132 31.700 0.016 0.000 0.780 419 D N 0.036 120.453 120.400 0.028 0.000 2.178 419 D HA -0.123 4.516 4.640 -0.001 0.000 0.201 419 D C 2.014 178.355 176.300 0.067 0.000 0.980 419 D CA 0.911 54.936 54.000 0.041 0.000 0.842 419 D CB -0.549 40.262 40.800 0.018 0.000 0.948 419 D HN 0.206 nan 8.370 nan 0.000 0.472 420 I N 0.574 121.173 120.570 0.048 0.000 2.113 420 I HA -0.227 3.942 4.170 -0.001 0.000 0.238 420 I C 2.089 178.272 176.117 0.111 0.000 1.070 420 I CA 0.648 61.988 61.300 0.066 0.000 1.332 420 I CB -0.182 37.838 38.000 0.033 0.000 1.044 420 I HN 0.057 nan 8.210 nan 0.000 0.402 421 I N 0.747 121.360 120.570 0.072 0.000 2.163 421 I HA -0.291 3.878 4.170 -0.001 0.000 0.243 421 I C 2.694 178.856 176.117 0.075 0.000 1.085 421 I CA 1.701 63.038 61.300 0.062 0.000 1.347 421 I CB -1.240 36.780 38.000 0.033 0.000 1.044 421 I HN 0.296 nan 8.210 nan 0.000 0.408 422 R N -0.397 120.152 120.500 0.082 0.000 2.091 422 R HA -0.245 4.094 4.340 -0.001 0.000 0.238 422 R C 2.378 178.735 176.300 0.095 0.000 1.136 422 R CA 1.827 57.978 56.100 0.084 0.000 0.959 422 R CB -0.669 29.681 30.300 0.083 0.000 0.856 422 R HN 0.394 nan 8.270 nan 0.000 0.437 423 Y N 1.545 121.851 120.300 0.009 0.000 2.200 423 Y HA -0.134 4.415 4.550 -0.002 0.000 0.290 423 Y C 2.028 177.927 175.900 -0.002 0.000 1.137 423 Y CA 1.290 59.392 58.100 0.003 0.000 1.163 423 Y CB -0.220 38.241 38.460 0.001 0.000 0.988 423 Y HN -0.072 nan 8.280 nan 0.000 0.518 424 L N -0.944 120.328 121.223 0.082 0.000 2.012 424 L HA -0.267 4.072 4.340 -0.001 0.000 0.210 424 L C 2.359 179.170 176.870 -0.099 0.000 1.073 424 L CA 1.416 56.248 54.840 -0.013 0.000 0.748 424 L CB -0.940 41.153 42.059 0.057 0.000 0.891 424 L HN 0.149 nan 8.230 nan 0.000 0.431 425 V N -0.092 119.790 119.914 -0.053 0.000 2.295 425 V HA -0.282 3.837 4.120 -0.001 0.000 0.246 425 V C 2.732 178.741 176.094 -0.141 0.000 1.049 425 V CA 2.090 64.356 62.300 -0.056 0.000 1.024 425 V CB -0.620 31.226 31.823 0.040 0.000 0.648 425 V HN 0.661 nan 8.190 nan 0.000 0.447 426 S N -0.554 115.058 115.700 -0.147 0.000 2.419 426 S HA -0.224 4.245 4.470 -0.001 0.000 0.233 426 S C 1.751 176.199 174.600 -0.255 0.000 1.016 426 S CA 0.997 59.086 58.200 -0.184 0.000 0.974 426 S CB -0.397 62.719 63.200 -0.140 0.000 0.786 426 S HN 0.573 nan 8.310 nan 0.000 0.492 427 Q N 1.007 120.602 119.800 -0.343 0.000 2.482 427 Q HA 0.202 4.541 4.340 -0.001 0.000 0.209 427 Q C 1.269 177.150 176.000 -0.197 0.000 0.961 427 Q CA 0.674 56.289 55.803 -0.314 0.000 0.945 427 Q CB -0.447 28.047 28.738 -0.406 0.000 1.012 427 Q HN 0.866 nan 8.270 nan 0.000 0.515 428 G N 1.166 109.854 108.800 -0.187 0.000 2.212 428 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.255 428 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.255 428 G C 0.734 175.567 174.900 -0.112 0.000 1.062 428 G CA 0.306 45.311 45.100 -0.158 0.000 0.815 428 G HN 0.529 nan 8.290 nan 0.000 0.497 429 C N -1.798 117.444 119.300 -0.097 0.000 2.696 429 C HA 0.576 5.035 4.460 -0.001 0.000 0.264 429 C C 2.415 177.378 174.990 -0.043 0.000 1.288 429 C CA 0.512 59.495 59.018 -0.058 0.000 1.717 429 C CB -0.857 26.858 27.740 -0.041 0.000 1.893 429 C HN 0.519 nan 8.230 nan 0.000 0.577 430 I N 1.722 122.262 120.570 -0.051 0.000 2.113 430 I HA -0.174 3.995 4.170 -0.001 0.000 0.238 430 I C 2.931 179.038 176.117 -0.016 0.000 1.070 430 I CA 1.873 63.161 61.300 -0.020 0.000 1.332 430 I CB -0.444 37.556 38.000 0.000 0.000 1.044 430 I HN 0.308 nan 8.210 nan 0.000 0.402 431 K N 0.696 121.076 120.400 -0.033 0.000 2.063 431 K HA -0.169 4.150 4.320 -0.001 0.000 0.208 431 K C -0.647 175.942 176.600 -0.018 0.000 1.048 431 K CA 1.696 57.970 56.287 -0.023 0.000 0.928 431 K CB -0.776 31.703 32.500 -0.034 0.000 0.713 431 K HN 0.186 nan 8.250 nan 0.000 0.442 432 P HA -0.135 nan 4.420 nan 0.000 0.217 432 P C 1.124 178.416 177.300 -0.014 0.000 1.150 432 P CA 1.110 64.200 63.100 -0.016 0.000 0.832 432 P CB 0.062 31.752 31.700 -0.017 0.000 0.787 433 L N -1.235 119.977 121.223 -0.017 0.000 2.017 433 L HA -0.215 4.124 4.340 -0.001 0.000 0.208 433 L C 2.619 179.480 176.870 -0.016 0.000 1.073 433 L CA 1.587 56.415 54.840 -0.021 0.000 0.745 433 L CB -1.267 40.779 42.059 -0.023 0.000 0.894 433 L HN 0.065 nan 8.230 nan 0.000 0.432 434 C N 0.154 119.451 119.300 -0.006 0.000 2.393 434 C HA -0.212 4.247 4.460 -0.001 0.000 0.276 434 C C 2.388 177.376 174.990 -0.003 0.000 1.215 434 C CA 0.935 59.953 59.018 0.000 0.000 1.743 434 C CB -0.877 26.869 27.740 0.010 0.000 2.044 434 C HN 0.555 nan 8.230 nan 0.000 0.464 435 D N 0.195 120.593 120.400 -0.004 0.000 2.311 435 D HA -0.091 4.548 4.640 -0.001 0.000 0.212 435 D C 1.658 177.955 176.300 -0.004 0.000 0.972 435 D CA 0.738 54.736 54.000 -0.003 0.000 0.887 435 D CB -0.380 40.419 40.800 -0.003 0.000 0.915 435 D HN 0.371 nan 8.370 nan 0.000 0.497 436 L N 0.090 121.308 121.223 -0.008 0.000 2.492 436 L HA 0.103 4.443 4.340 -0.001 0.000 0.223 436 L C 1.850 178.712 176.870 -0.014 0.000 1.132 436 L CA 0.519 55.353 54.840 -0.011 0.000 0.850 436 L CB -0.045 42.003 42.059 -0.019 0.000 0.966 436 L HN -0.030 nan 8.230 nan 0.000 0.454 437 L N -0.716 120.499 121.223 -0.013 0.000 2.261 437 L HA -0.185 4.154 4.340 -0.001 0.000 0.216 437 L C 1.776 178.642 176.870 -0.007 0.000 1.114 437 L CA 1.155 55.987 54.840 -0.013 0.000 0.777 437 L CB -0.293 41.762 42.059 -0.008 0.000 0.910 437 L HN 0.365 nan 8.230 nan 0.000 0.440 438 E N -0.399 119.799 120.200 -0.003 0.000 2.479 438 E HA 0.027 4.376 4.350 -0.001 0.000 0.193 438 E C 0.375 176.976 176.600 0.002 0.000 1.049 438 E CA -0.395 56.005 56.400 -0.000 0.000 0.870 438 E CB 0.435 30.137 29.700 0.003 0.000 0.944 438 E HN 0.199 nan 8.360 nan 0.000 0.492 439 I N 1.329 121.899 120.570 0.001 0.000 2.948 439 I HA -0.114 4.055 4.170 -0.001 0.000 0.290 439 I C 0.459 176.580 176.117 0.007 0.000 1.226 439 I CA 0.079 61.383 61.300 0.006 0.000 1.413 439 I CB 0.859 38.863 38.000 0.007 0.000 1.352 439 I HN -0.075 nan 8.210 nan 0.000 0.597 440 A N 5.818 128.644 122.820 0.011 0.000 3.135 440 A HA 0.306 4.626 4.320 -0.001 0.000 0.253 440 A C -0.297 177.298 177.584 0.017 0.000 1.638 440 A CA -0.081 51.963 52.037 0.012 0.000 1.295 440 A CB -0.965 18.041 19.000 0.011 0.000 1.106 440 A HN 0.630 nan 8.150 nan 0.000 0.648 441 D N -0.189 120.222 120.400 0.019 0.000 2.613 441 D HA 0.134 4.773 4.640 -0.001 0.000 0.230 441 D C -0.079 176.235 176.300 0.025 0.000 1.365 441 D CA -0.460 53.557 54.000 0.029 0.000 0.976 441 D CB 0.832 41.658 40.800 0.043 0.000 1.415 441 D HN 0.097 nan 8.370 nan 0.000 0.589 442 N N 2.378 121.095 118.700 0.028 0.000 2.331 442 N HA -0.101 4.638 4.740 -0.001 0.000 0.180 442 N C 1.590 177.117 175.510 0.028 0.000 1.019 442 N CA 0.490 53.554 53.050 0.024 0.000 0.881 442 N CB 0.071 38.574 38.487 0.027 0.000 0.972 442 N HN 0.384 nan 8.380 nan 0.000 0.435 443 R N 1.164 121.698 120.500 0.057 0.000 2.083 443 R HA 0.038 4.378 4.340 -0.001 0.000 0.237 443 R C 1.868 178.179 176.300 0.018 0.000 1.137 443 R CA 1.001 57.158 56.100 0.094 0.000 0.951 443 R CB -0.388 30.017 30.300 0.176 0.000 0.851 443 R HN 0.093 nan 8.270 nan 0.000 0.434 444 I N 0.214 120.781 120.570 -0.005 0.000 2.353 444 I HA -0.162 4.007 4.170 -0.001 0.000 0.248 444 I C 2.235 178.269 176.117 -0.137 0.000 1.119 444 I CA 1.034 62.261 61.300 -0.122 0.000 1.417 444 I CB -0.825 37.149 38.000 -0.044 0.000 1.078 444 I HN 0.195 nan 8.210 nan 0.000 0.421 445 I N 0.839 121.369 120.570 -0.067 0.000 2.194 445 I HA -0.341 3.828 4.170 -0.001 0.000 0.246 445 I C 2.604 178.678 176.117 -0.071 0.000 1.093 445 I CA 1.530 62.797 61.300 -0.054 0.000 1.355 445 I CB -0.243 37.744 38.000 -0.021 0.000 1.046 445 I HN 0.308 nan 8.210 nan 0.000 0.413 446 E N 0.593 120.751 120.200 -0.071 0.000 2.017 446 E HA -0.209 4.141 4.350 -0.001 0.000 0.193 446 E C 2.315 178.833 176.600 -0.137 0.000 0.997 446 E CA 1.810 58.167 56.400 -0.070 0.000 0.804 446 E CB 0.070 29.748 29.700 -0.037 0.000 0.757 446 E HN 0.235 nan 8.360 nan 0.000 0.448 447 V N 0.814 120.569 119.914 -0.266 0.000 2.324 447 V HA -0.310 3.810 4.120 -0.001 0.000 0.250 447 V C 2.386 178.315 176.094 -0.275 0.000 1.060 447 V CA 2.278 64.326 62.300 -0.420 0.000 1.042 447 V CB -0.820 30.450 31.823 -0.922 0.000 0.650 447 V HN 0.406 nan 8.190 nan 0.000 0.450 448 T N 0.084 114.509 114.554 -0.214 0.000 2.777 448 T HA -0.076 4.273 4.350 -0.001 0.000 0.266 448 T C 1.855 176.505 174.700 -0.083 0.000 1.040 448 T CA 1.364 63.384 62.100 -0.134 0.000 1.141 448 T CB -0.241 68.567 68.868 -0.099 0.000 0.868 448 T HN 0.315 nan 8.240 nan 0.000 0.444 449 L N 0.766 121.948 121.223 -0.067 0.000 2.093 449 L HA -0.085 4.255 4.340 -0.001 0.000 0.208 449 L C 2.454 179.305 176.870 -0.030 0.000 1.085 449 L CA 1.004 55.825 54.840 -0.031 0.000 0.755 449 L CB -0.494 41.556 42.059 -0.014 0.000 0.904 449 L HN 0.158 nan 8.230 nan 0.000 0.435 450 D N 0.272 120.641 120.400 -0.052 0.000 2.117 450 D HA -0.151 4.489 4.640 -0.001 0.000 0.197 450 D C 2.218 178.493 176.300 -0.042 0.000 0.987 450 D CA 1.498 55.474 54.000 -0.041 0.000 0.829 450 D CB 0.071 40.838 40.800 -0.054 0.000 0.961 450 D HN 0.302 nan 8.370 nan 0.000 0.460 451 A N 0.686 123.469 122.820 -0.061 0.000 1.877 451 A HA -0.110 4.209 4.320 -0.001 0.000 0.216 451 A C 2.413 179.973 177.584 -0.039 0.000 1.186 451 A CA 0.882 52.890 52.037 -0.047 0.000 0.620 451 A CB -0.778 18.187 19.000 -0.057 0.000 0.822 451 A HN 0.206 nan 8.150 nan 0.000 0.443 452 L N -0.751 120.449 121.223 -0.037 0.000 2.131 452 L HA -0.192 4.147 4.340 -0.001 0.000 0.210 452 L C 2.592 179.418 176.870 -0.073 0.000 1.092 452 L CA 1.743 56.563 54.840 -0.034 0.000 0.759 452 L CB -0.468 41.589 42.059 -0.004 0.000 0.903 452 L HN 0.663 nan 8.230 nan 0.000 0.435 453 E N 0.588 120.754 120.200 -0.058 0.000 2.028 453 E HA -0.229 4.120 4.350 -0.001 0.000 0.191 453 E C 1.972 178.503 176.600 -0.114 0.000 0.988 453 E CA 1.459 57.812 56.400 -0.079 0.000 0.799 453 E CB 0.040 29.745 29.700 0.009 0.000 0.755 453 E HN 0.341 nan 8.360 nan 0.000 0.447 454 N N 0.599 119.264 118.700 -0.059 0.000 2.137 454 N HA -0.171 4.568 4.740 -0.001 0.000 0.190 454 N C 1.921 177.390 175.510 -0.068 0.000 1.017 454 N CA 1.399 54.422 53.050 -0.045 0.000 0.859 454 N CB -0.247 38.228 38.487 -0.019 0.000 1.002 454 N HN 0.344 nan 8.380 nan 0.000 0.428 455 I N 0.512 121.035 120.570 -0.079 0.000 2.315 455 I HA -0.200 3.969 4.170 -0.001 0.000 0.248 455 I C 1.945 177.970 176.117 -0.154 0.000 1.117 455 I CA 0.697 61.952 61.300 -0.076 0.000 1.404 455 I CB -0.095 37.880 38.000 -0.043 0.000 1.071 455 I HN 0.062 nan 8.210 nan 0.000 0.419 456 L N 0.287 121.332 121.223 -0.296 0.000 2.044 456 L HA -0.170 4.170 4.340 -0.001 0.000 0.205 456 L C 2.503 179.079 176.870 -0.489 0.000 1.075 456 L CA 1.347 55.835 54.840 -0.588 0.000 0.747 456 L CB -0.474 40.872 42.059 -1.189 0.000 0.903 456 L HN 0.089 nan 8.230 nan 0.000 0.435 457 K N -0.590 119.629 120.400 -0.303 0.000 2.103 457 K HA -0.202 4.117 4.320 -0.001 0.000 0.207 457 K C 2.132 178.722 176.600 -0.016 0.000 1.048 457 K CA 1.304 57.571 56.287 -0.034 0.000 0.930 457 K CB -0.100 32.414 32.500 0.023 0.000 0.716 457 K HN 0.211 nan 8.250 nan 0.000 0.444 458 M N -0.057 119.515 119.600 -0.048 0.000 2.236 458 M HA -0.037 4.442 4.480 -0.001 0.000 0.266 458 M C 1.947 178.228 176.300 -0.032 0.000 1.070 458 M CA 1.397 56.683 55.300 -0.024 0.000 1.137 458 M CB -0.446 32.144 32.600 -0.016 0.000 1.378 458 M HN 0.186 nan 8.290 nan 0.000 0.426 459 G N -0.356 108.403 108.800 -0.067 0.000 2.422 459 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.218 459 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.218 459 G C 1.342 176.211 174.900 -0.052 0.000 1.140 459 G CA 1.059 46.115 45.100 -0.073 0.000 0.775 459 G HN 0.525 nan 8.290 nan 0.000 0.545 460 E N 0.743 120.933 120.200 -0.017 0.000 2.051 460 E HA 0.191 4.540 4.350 -0.001 0.000 0.189 460 E C 2.627 179.242 176.600 0.025 0.000 0.979 460 E CA 1.115 57.543 56.400 0.047 0.000 0.803 460 E CB -0.420 29.407 29.700 0.212 0.000 0.761 460 E HN 0.213 nan 8.360 nan 0.000 0.451 461 A N 0.701 123.535 122.820 0.024 0.000 2.067 461 A HA -0.169 4.150 4.320 -0.001 0.000 0.219 461 A C 2.012 179.597 177.584 0.001 0.000 1.158 461 A CA 1.596 53.641 52.037 0.013 0.000 0.661 461 A CB -0.559 18.450 19.000 0.016 0.000 0.801 461 A HN 0.380 nan 8.150 nan 0.000 0.452 462 D N 0.419 120.816 120.400 -0.006 0.000 2.123 462 D HA -0.154 4.485 4.640 -0.001 0.000 0.200 462 D C 1.962 178.253 176.300 -0.016 0.000 0.976 462 D CA 1.622 55.616 54.000 -0.011 0.000 0.831 462 D CB 0.039 40.829 40.800 -0.016 0.000 0.974 462 D HN 0.712 nan 8.370 nan 0.000 0.469 463 K N 0.235 120.622 120.400 -0.023 0.000 2.228 463 K HA 0.002 4.321 4.320 -0.001 0.000 0.202 463 K C 1.691 178.278 176.600 -0.020 0.000 1.051 463 K CA 0.714 56.984 56.287 -0.027 0.000 0.960 463 K CB 0.063 32.540 32.500 -0.039 0.000 0.743 463 K HN -0.075 nan 8.250 nan 0.000 0.458 464 E N 1.145 121.337 120.200 -0.014 0.000 2.216 464 E HA -0.021 4.328 4.350 -0.001 0.000 0.192 464 E C 2.044 178.638 176.600 -0.009 0.000 0.988 464 E CA 1.006 57.399 56.400 -0.012 0.000 0.834 464 E CB 0.059 29.754 29.700 -0.009 0.000 0.772 464 E HN 0.491 nan 8.360 nan 0.000 0.479 465 A N 2.013 124.828 122.820 -0.007 0.000 1.968 465 A HA -0.127 4.192 4.320 -0.001 0.000 0.217 465 A C 1.765 179.345 177.584 -0.007 0.000 1.169 465 A CA 0.960 52.994 52.037 -0.005 0.000 0.638 465 A CB -0.210 18.788 19.000 -0.003 0.000 0.812 465 A HN 0.193 nan 8.150 nan 0.000 0.446 466 R N -1.736 118.758 120.500 -0.009 0.000 2.776 466 R HA 0.410 4.749 4.340 -0.001 0.000 0.391 466 R C 0.656 176.949 176.300 -0.013 0.000 1.116 466 R CA 0.137 56.231 56.100 -0.010 0.000 1.056 466 R CB -0.872 29.423 30.300 -0.009 0.000 1.369 466 R HN 0.474 nan 8.270 nan 0.000 0.590 467 G N 1.486 110.278 108.800 -0.014 0.000 2.439 467 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.305 467 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.305 467 G C 0.183 175.072 174.900 -0.019 0.000 0.966 467 G CA 0.314 45.405 45.100 -0.016 0.000 0.890 467 G HN 0.356 nan 8.290 nan 0.000 0.513 468 L N -0.582 120.627 121.223 -0.023 0.000 2.456 468 L HA 0.294 4.633 4.340 -0.001 0.000 0.257 468 L C 1.286 178.137 176.870 -0.032 0.000 1.162 468 L CA 0.309 55.132 54.840 -0.028 0.000 0.808 468 L CB 0.909 42.947 42.059 -0.034 0.000 1.136 468 L HN 0.338 nan 8.230 nan 0.000 0.466 469 N N 0.903 119.582 118.700 -0.036 0.000 2.275 469 N HA 0.275 5.014 4.740 -0.001 0.000 0.236 469 N C -0.698 174.783 175.510 -0.049 0.000 1.154 469 N CA -0.062 52.965 53.050 -0.038 0.000 0.866 469 N CB 0.505 38.972 38.487 -0.032 0.000 1.093 469 N HN 0.470 nan 8.380 nan 0.000 0.515 470 I N -3.265 117.269 120.570 -0.059 0.000 2.752 470 I HA 0.408 4.578 4.170 -0.001 0.000 0.295 470 I C -1.429 174.629 176.117 -0.097 0.000 1.219 470 I CA -1.155 60.097 61.300 -0.080 0.000 1.030 470 I CB 1.787 39.736 38.000 -0.086 0.000 1.259 470 I HN -0.216 nan 8.210 nan 0.000 0.423 471 N N 4.225 122.854 118.700 -0.118 0.000 2.469 471 N HA 0.180 4.919 4.740 -0.001 0.000 0.239 471 N C 0.590 175.970 175.510 -0.216 0.000 1.053 471 N CA 0.117 53.083 53.050 -0.139 0.000 0.937 471 N CB 1.087 39.499 38.487 -0.124 0.000 1.163 471 N HN 0.766 nan 8.380 nan 0.000 0.509 472 E N 2.125 122.172 120.200 -0.254 0.000 2.070 472 E HA -0.215 4.134 4.350 -0.001 0.000 0.197 472 E C 0.787 177.003 176.600 -0.640 0.000 1.004 472 E CA 1.219 57.340 56.400 -0.465 0.000 0.805 472 E CB 0.212 29.667 29.700 -0.409 0.000 0.744 472 E HN 0.553 nan 8.360 nan 0.000 0.451 473 N N 0.476 118.976 118.700 -0.332 0.000 2.120 473 N HA -0.125 4.614 4.740 -0.001 0.000 0.188 473 N C 1.684 177.131 175.510 -0.105 0.000 1.024 473 N CA 1.224 54.191 53.050 -0.137 0.000 0.852 473 N CB -0.412 38.041 38.487 -0.056 0.000 1.003 473 N HN 0.136 nan 8.380 nan 0.000 0.424 474 A N 1.167 123.876 122.820 -0.185 0.000 1.940 474 A HA -0.169 4.150 4.320 -0.001 0.000 0.219 474 A C 1.820 179.395 177.584 -0.015 0.000 1.176 474 A CA 1.682 53.612 52.037 -0.179 0.000 0.631 474 A CB -0.406 18.361 19.000 -0.388 0.000 0.814 474 A HN 0.148 nan 8.150 nan 0.000 0.446 475 D N -1.160 119.170 120.400 -0.117 0.000 2.183 475 D HA -0.037 4.602 4.640 -0.001 0.000 0.203 475 D C 1.707 178.045 176.300 0.065 0.000 0.969 475 D CA 0.763 54.731 54.000 -0.054 0.000 0.842 475 D CB -0.313 40.386 40.800 -0.168 0.000 0.957 475 D HN 0.620 nan 8.370 nan 0.000 0.484 476 F N 0.765 120.732 119.950 0.029 0.000 2.134 476 F HA -0.092 4.434 4.527 -0.002 0.000 0.299 476 F C 2.468 178.292 175.800 0.039 0.000 1.097 476 F CA 0.290 58.302 58.000 0.021 0.000 1.264 476 F CB -0.074 38.926 39.000 -0.001 0.000 1.001 476 F HN -0.107 nan 8.300 nan 0.000 0.479 477 I N 0.023 120.752 120.570 0.264 0.000 2.286 477 I HA -0.275 3.895 4.170 -0.001 0.000 0.248 477 I C 2.455 178.674 176.117 0.170 0.000 1.115 477 I CA 1.371 62.790 61.300 0.200 0.000 1.392 477 I CB -0.419 37.723 38.000 0.237 0.000 1.065 477 I HN 0.217 nan 8.210 nan 0.000 0.418 478 E N 1.403 121.732 120.200 0.214 0.000 2.047 478 E HA -0.224 4.125 4.350 -0.001 0.000 0.191 478 E C 2.006 178.660 176.600 0.089 0.000 0.987 478 E CA 1.116 57.604 56.400 0.147 0.000 0.799 478 E CB 0.128 29.956 29.700 0.213 0.000 0.752 478 E HN 0.363 nan 8.360 nan 0.000 0.449 479 K N -0.440 120.029 120.400 0.114 0.000 2.439 479 K HA -0.019 4.300 4.320 -0.001 0.000 0.197 479 K C 1.348 177.987 176.600 0.065 0.000 1.041 479 K CA 0.624 56.965 56.287 0.089 0.000 0.970 479 K CB 0.240 32.813 32.500 0.122 0.000 0.773 479 K HN 0.058 nan 8.250 nan 0.000 0.479 480 A N 0.247 123.107 122.820 0.067 0.000 2.387 480 A HA 0.275 4.594 4.320 -0.001 0.000 0.234 480 A C 1.109 178.707 177.584 0.023 0.000 1.253 480 A CA 0.449 52.508 52.037 0.038 0.000 0.894 480 A CB -0.002 19.021 19.000 0.038 0.000 0.963 480 A HN 0.311 nan 8.150 nan 0.000 0.508 481 G N -1.336 107.476 108.800 0.019 0.000 2.198 481 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.260 481 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.260 481 G C 1.039 175.936 174.900 -0.004 0.000 1.025 481 G CA 0.566 45.667 45.100 0.002 0.000 0.769 481 G HN 1.218 nan 8.290 nan 0.000 0.507 482 G N -0.633 108.167 108.800 0.001 0.000 2.494 482 G HA2 0.193 4.152 3.960 -0.001 0.000 0.216 482 G HA3 0.193 4.152 3.960 -0.001 0.000 0.216 482 G C 1.536 176.401 174.900 -0.059 0.000 1.140 482 G CA 1.306 46.404 45.100 -0.003 0.000 0.801 482 G HN 0.565 nan 8.290 nan 0.000 0.536 483 M N 1.143 120.654 119.600 -0.148 0.000 2.067 483 M HA -0.077 4.402 4.480 -0.001 0.000 0.260 483 M C 2.713 178.902 176.300 -0.186 0.000 1.069 483 M CA 2.260 57.331 55.300 -0.381 0.000 1.117 483 M CB -0.218 32.043 32.600 -0.566 0.000 1.334 483 M HN 0.468 nan 8.290 nan 0.000 0.407 484 E N 0.316 120.458 120.200 -0.098 0.000 2.086 484 E HA -0.266 4.083 4.350 -0.001 0.000 0.200 484 E C 1.756 178.410 176.600 0.088 0.000 1.012 484 E CA 1.558 57.969 56.400 0.018 0.000 0.812 484 E CB -0.630 29.073 29.700 0.005 0.000 0.743 484 E HN 0.480 nan 8.360 nan 0.000 0.453 485 K N 0.564 120.981 120.400 0.028 0.000 2.057 485 K HA -0.070 4.249 4.320 -0.001 0.000 0.207 485 K C 2.310 178.923 176.600 0.022 0.000 1.049 485 K CA 1.258 57.560 56.287 0.025 0.000 0.931 485 K CB -0.248 32.257 32.500 0.008 0.000 0.714 485 K HN 0.306 nan 8.250 nan 0.000 0.440 486 I N 0.477 121.055 120.570 0.013 0.000 2.315 486 I HA -0.237 3.932 4.170 -0.001 0.000 0.248 486 I C 2.333 178.475 176.117 0.042 0.000 1.117 486 I CA 0.710 62.019 61.300 0.016 0.000 1.404 486 I CB -0.265 37.738 38.000 0.005 0.000 1.071 486 I HN -0.035 nan 8.210 nan 0.000 0.419 487 F N 2.552 122.453 119.950 -0.081 0.000 2.069 487 F HA -0.288 4.238 4.527 -0.001 0.000 0.298 487 F C 2.080 177.882 175.800 0.003 0.000 1.113 487 F CA 2.016 59.984 58.000 -0.052 0.000 1.214 487 F CB -0.686 38.265 39.000 -0.081 0.000 0.978 487 F HN 0.058 nan 8.300 nan 0.000 0.474 488 N N -0.477 118.115 118.700 -0.180 0.000 2.289 488 N HA -0.180 4.559 4.740 -0.001 0.000 0.184 488 N C 1.753 177.168 175.510 -0.158 0.000 1.016 488 N CA 1.471 54.382 53.050 -0.231 0.000 0.872 488 N CB -0.744 37.712 38.487 -0.053 0.000 0.973 488 N HN 0.331 nan 8.380 nan 0.000 0.433 489 C N 1.344 120.594 119.300 -0.084 0.000 2.430 489 C HA -0.079 4.380 4.460 -0.001 0.000 0.288 489 C C 2.270 177.264 174.990 0.006 0.000 1.448 489 C CA 0.414 59.415 59.018 -0.028 0.000 1.784 489 C CB -1.431 26.308 27.740 -0.002 0.000 1.776 489 C HN 0.598 nan 8.230 nan 0.000 0.547 490 Q N 0.077 119.856 119.800 -0.036 0.000 2.432 490 Q HA -0.071 4.268 4.340 -0.001 0.000 0.205 490 Q C 1.192 177.254 176.000 0.103 0.000 0.945 490 Q CA 0.909 56.813 55.803 0.168 0.000 0.924 490 Q CB -0.318 28.547 28.738 0.212 0.000 1.016 490 Q HN 0.628 nan 8.270 nan 0.000 0.503 491 Q N 1.144 120.911 119.800 -0.056 0.000 2.280 491 Q HA 0.160 4.499 4.340 -0.001 0.000 0.202 491 Q C -0.496 175.476 176.000 -0.047 0.000 0.903 491 Q CA -0.203 55.553 55.803 -0.079 0.000 0.948 491 Q CB 0.425 29.093 28.738 -0.116 0.000 1.058 491 Q HN 0.392 nan 8.270 nan 0.000 0.493 492 N N 0.363 119.057 118.700 -0.010 0.000 2.509 492 N HA -0.015 4.724 4.740 -0.001 0.000 0.287 492 N C 0.959 176.466 175.510 -0.003 0.000 1.121 492 N CA -0.088 52.962 53.050 0.000 0.000 0.977 492 N CB 0.881 39.382 38.487 0.023 0.000 1.167 492 N HN 0.179 nan 8.380 nan 0.000 0.476 493 E N 2.054 122.248 120.200 -0.011 0.000 2.150 493 E HA -0.205 4.145 4.350 -0.001 0.000 0.193 493 E C 0.120 176.717 176.600 -0.005 0.000 0.985 493 E CA 0.517 56.905 56.400 -0.021 0.000 0.814 493 E CB -0.048 29.642 29.700 -0.017 0.000 0.752 493 E HN 0.457 nan 8.360 nan 0.000 0.466 494 N N 1.342 120.053 118.700 0.019 0.000 2.468 494 N HA -0.060 4.679 4.740 -0.001 0.000 0.265 494 N C -0.253 175.295 175.510 0.064 0.000 1.199 494 N CA 0.150 53.220 53.050 0.034 0.000 0.928 494 N CB 1.167 39.676 38.487 0.037 0.000 1.059 494 N HN 0.089 nan 8.380 nan 0.000 0.467 495 D N 2.879 123.316 120.400 0.061 0.000 2.144 495 D HA -0.100 4.539 4.640 -0.001 0.000 0.200 495 D C 1.556 177.952 176.300 0.158 0.000 0.978 495 D CA 1.052 55.119 54.000 0.112 0.000 0.833 495 D CB 0.270 41.111 40.800 0.069 0.000 0.961 495 D HN 0.546 nan 8.370 nan 0.000 0.470 496 K N 0.432 120.888 120.400 0.093 0.000 2.057 496 K HA -0.104 4.215 4.320 -0.001 0.000 0.207 496 K C 1.955 178.594 176.600 0.065 0.000 1.049 496 K CA 0.591 56.921 56.287 0.071 0.000 0.931 496 K CB -0.031 32.499 32.500 0.051 0.000 0.714 496 K HN 0.118 nan 8.250 nan 0.000 0.440 497 I N 0.653 121.267 120.570 0.073 0.000 2.179 497 I HA -0.296 3.873 4.170 -0.001 0.000 0.242 497 I C 2.452 178.615 176.117 0.077 0.000 1.088 497 I CA 1.326 62.662 61.300 0.060 0.000 1.357 497 I CB -1.483 36.550 38.000 0.055 0.000 1.051 497 I HN 0.213 nan 8.210 nan 0.000 0.409 498 Y N 2.063 122.369 120.300 0.010 0.000 2.181 498 Y HA -0.264 4.285 4.550 -0.001 0.000 0.288 498 Y C 2.661 178.599 175.900 0.063 0.000 1.146 498 Y CA 2.228 60.338 58.100 0.016 0.000 1.164 498 Y CB -0.513 37.940 38.460 -0.013 0.000 0.982 498 Y HN 0.274 nan 8.280 nan 0.000 0.515 499 E N 0.353 120.399 120.200 -0.258 0.000 2.077 499 E HA -0.233 4.116 4.350 -0.001 0.000 0.193 499 E C 2.322 178.843 176.600 -0.131 0.000 0.989 499 E CA 1.356 57.564 56.400 -0.320 0.000 0.800 499 E CB -0.220 29.451 29.700 -0.047 0.000 0.746 499 E HN 0.503 nan 8.360 nan 0.000 0.452 500 K N -0.220 120.153 120.400 -0.045 0.000 2.097 500 K HA -0.104 4.215 4.320 -0.001 0.000 0.205 500 K C 2.013 178.622 176.600 0.016 0.000 1.050 500 K CA 0.966 57.257 56.287 0.006 0.000 0.938 500 K CB -0.096 32.415 32.500 0.018 0.000 0.718 500 K HN 0.172 nan 8.250 nan 0.000 0.442 501 A N 0.357 123.170 122.820 -0.012 0.000 1.898 501 A HA -0.192 4.127 4.320 -0.001 0.000 0.216 501 A C 2.009 179.598 177.584 0.010 0.000 1.181 501 A CA 1.282 53.325 52.037 0.010 0.000 0.620 501 A CB -0.828 18.174 19.000 0.004 0.000 0.819 501 A HN 0.538 nan 8.150 nan 0.000 0.442 502 Y N 0.731 120.893 120.300 -0.229 0.000 2.097 502 Y HA -0.275 4.274 4.550 -0.001 0.000 0.282 502 Y C 2.386 178.238 175.900 -0.080 0.000 1.152 502 Y CA 2.575 60.544 58.100 -0.219 0.000 1.136 502 Y CB -0.292 37.858 38.460 -0.518 0.000 0.975 502 Y HN 0.287 nan 8.280 nan 0.000 0.498 503 K N 0.369 120.800 120.400 0.053 0.000 2.074 503 K HA -0.222 4.097 4.320 -0.001 0.000 0.209 503 K C 2.037 178.643 176.600 0.011 0.000 1.048 503 K CA 2.199 58.497 56.287 0.019 0.000 0.926 503 K CB -0.449 32.099 32.500 0.081 0.000 0.713 503 K HN 0.528 nan 8.250 nan 0.000 0.444 504 I N 1.059 121.694 120.570 0.108 0.000 2.286 504 I HA -0.261 3.908 4.170 -0.001 0.000 0.248 504 I C 2.014 178.336 176.117 0.343 0.000 1.115 504 I CA 0.657 62.126 61.300 0.281 0.000 1.392 504 I CB -0.089 38.066 38.000 0.258 0.000 1.065 504 I HN 0.221 nan 8.210 nan 0.000 0.418 505 I N 0.360 121.037 120.570 0.178 0.000 2.617 505 I HA -0.195 3.974 4.170 -0.001 0.000 0.256 505 I C 2.414 178.582 176.117 0.086 0.000 1.167 505 I CA 1.308 62.731 61.300 0.205 0.000 1.469 505 I CB -0.907 37.133 38.000 0.067 0.000 1.098 505 I HN 0.360 nan 8.210 nan 0.000 0.436 506 E N 0.896 121.022 120.200 -0.125 0.000 2.033 506 E HA -0.135 4.214 4.350 -0.001 0.000 0.189 506 E C 2.064 178.561 176.600 -0.172 0.000 0.979 506 E CA 1.524 57.804 56.400 -0.201 0.000 0.802 506 E CB 0.172 29.654 29.700 -0.363 0.000 0.763 506 E HN 0.264 nan 8.360 nan 0.000 0.449 507 T N -0.470 113.934 114.554 -0.249 0.000 2.737 507 T HA -0.130 4.220 4.350 -0.001 0.000 0.265 507 T C 0.900 175.195 174.700 -0.675 0.000 1.038 507 T CA 1.472 63.258 62.100 -0.522 0.000 1.144 507 T CB -0.239 68.161 68.868 -0.779 0.000 0.866 507 T HN 0.305 nan 8.240 nan 0.000 0.434 508 Y N -1.199 119.001 120.300 -0.168 0.000 2.481 508 Y HA 0.421 4.970 4.550 -0.002 0.000 0.247 508 Y C 0.218 175.673 175.900 -0.743 0.000 1.151 508 Y CA -0.686 57.148 58.100 -0.444 0.000 1.238 508 Y CB 0.467 38.599 38.460 -0.548 0.000 1.179 508 Y HN 0.104 nan 8.280 nan 0.000 0.524 509 F N -0.828 119.136 119.950 0.025 0.000 2.576 509 F HA 0.441 4.967 4.527 -0.001 0.000 0.365 509 F C 1.297 177.068 175.800 -0.048 0.000 1.506 509 F CA -0.829 57.168 58.000 -0.005 0.000 1.113 509 F CB 0.332 39.334 39.000 0.003 0.000 1.293 509 F HN -0.027 nan 8.300 nan 0.000 0.540 510 G N 0.094 108.909 108.800 0.025 0.000 2.547 510 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.214 510 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.214 510 G C 1.530 176.429 174.900 -0.002 0.000 1.254 510 G CA 0.543 45.634 45.100 -0.014 0.000 0.817 510 G HN 0.296 nan 8.290 nan 0.000 0.551 511 E N -0.045 120.153 120.200 -0.003 0.000 2.204 511 E HA -0.071 4.279 4.350 -0.001 0.000 0.194 511 E C 1.943 178.541 176.600 -0.003 0.000 0.989 511 E CA 0.956 57.353 56.400 -0.006 0.000 0.824 511 E CB 0.140 29.833 29.700 -0.012 0.000 0.756 511 E HN 0.495 nan 8.360 nan 0.000 0.477 512 E N -0.344 119.855 120.200 -0.002 0.000 2.502 512 E HA 0.044 4.393 4.350 -0.001 0.000 0.206 512 E C -0.362 176.203 176.600 -0.059 0.000 0.821 512 E CA 0.139 56.529 56.400 -0.016 0.000 1.354 512 E CB 0.752 30.460 29.700 0.015 0.000 1.336 512 E HN -0.050 nan 8.360 nan 0.000 0.675 513 E N 2.246 122.413 120.200 -0.055 0.000 2.244 513 E HA 0.128 4.477 4.350 -0.001 0.000 0.260 513 E C -1.275 175.278 176.600 -0.078 0.000 0.884 513 E CA -0.625 55.688 56.400 -0.145 0.000 0.777 513 E CB 0.894 30.464 29.700 -0.217 0.000 1.197 513 E HN 0.046 nan 8.360 nan 0.000 0.416 514 D N 2.793 123.149 120.400 -0.074 0.000 2.372 514 D HA 0.353 4.992 4.640 -0.001 0.000 0.243 514 D C -0.320 176.056 176.300 0.126 0.000 1.121 514 D CA -0.479 53.538 54.000 0.029 0.000 0.898 514 D CB 1.458 42.294 40.800 0.060 0.000 1.202 514 D HN 0.360 nan 8.370 nan 0.000 0.428 515 A N 1.518 124.386 122.820 0.079 0.000 2.282 515 A HA 0.538 4.857 4.320 -0.001 0.000 0.319 515 A C -0.234 177.563 177.584 0.355 0.000 1.121 515 A CA -0.799 51.306 52.037 0.114 0.000 0.836 515 A CB 1.231 19.916 19.000 -0.525 0.000 1.146 515 A HN 0.435 nan 8.150 nan 0.000 0.494 516 V N 1.679 121.888 119.914 0.492 0.000 2.581 516 V HA 0.378 4.497 4.120 -0.001 0.000 0.303 516 V C -0.312 176.030 176.094 0.412 0.000 1.041 516 V CA -0.673 61.858 62.300 0.385 0.000 0.907 516 V CB 1.564 33.546 31.823 0.265 0.000 0.994 516 V HN 0.965 nan 8.190 nan 0.000 0.442 517 D N 1.552 122.086 120.400 0.223 0.000 2.567 517 D HA 0.287 4.926 4.640 -0.001 0.000 0.275 517 D C 0.326 176.623 176.300 -0.005 0.000 1.195 517 D CA -0.457 53.602 54.000 0.099 0.000 1.087 517 D CB 1.094 41.929 40.800 0.059 0.000 1.165 517 D HN 0.833 nan 8.370 nan 0.000 0.609 518 E N -0.806 119.358 120.200 -0.060 0.000 2.261 518 E HA 0.155 4.504 4.350 -0.001 0.000 0.308 518 E C -0.074 176.479 176.600 -0.078 0.000 1.400 518 E CA 0.081 56.410 56.400 -0.119 0.000 1.542 518 E CB -0.091 29.527 29.700 -0.136 0.000 1.369 518 E HN 0.019 nan 8.360 nan 0.000 0.493 519 T N 1.626 116.146 114.554 -0.058 0.000 3.081 519 T HA 0.147 4.496 4.350 -0.001 0.000 0.250 519 T C 0.652 175.316 174.700 -0.061 0.000 1.100 519 T CA -0.018 62.055 62.100 -0.044 0.000 1.038 519 T CB -0.049 68.808 68.868 -0.018 0.000 0.962 519 T HN 0.453 nan 8.240 nan 0.000 0.516 520 M N 1.846 121.387 119.600 -0.098 0.000 3.442 520 M HA 0.233 4.712 4.480 -0.001 0.000 0.232 520 M C 1.164 177.395 176.300 -0.114 0.000 1.508 520 M CA -0.323 54.909 55.300 -0.114 0.000 1.647 520 M CB 0.011 32.511 32.600 -0.167 0.000 1.126 520 M HN 0.186 nan 8.290 nan 0.000 0.557 521 A N 2.289 125.062 122.820 -0.078 0.000 2.063 521 A HA 0.246 4.565 4.320 -0.001 0.000 0.211 521 A C -1.477 176.076 177.584 -0.052 0.000 1.177 521 A CA 0.153 52.152 52.037 -0.063 0.000 0.759 521 A CB -0.711 18.260 19.000 -0.048 0.000 0.857 521 A HN 0.467 nan 8.150 nan 0.000 0.468 522 P HA 0.330 nan 4.420 nan 0.000 0.256 522 P C -0.234 177.037 177.300 -0.049 0.000 1.689 522 P CA -0.142 62.934 63.100 -0.039 0.000 1.124 522 P CB 0.206 31.888 31.700 -0.031 0.000 1.766 523 Q N 1.613 121.382 119.800 -0.051 0.000 3.220 523 Q HA 0.096 4.435 4.340 -0.001 0.000 0.191 523 Q C 0.438 176.408 176.000 -0.051 0.000 1.184 523 Q CA 0.381 56.148 55.803 -0.060 0.000 1.277 523 Q CB 0.260 28.967 28.738 -0.052 0.000 1.373 523 Q HN 0.417 nan 8.270 nan 0.000 0.715 524 N N -1.269 117.403 118.700 -0.047 0.000 2.827 524 N HA 0.441 5.180 4.740 -0.001 0.000 0.248 524 N C -2.167 173.327 175.510 -0.026 0.000 1.074 524 N CA 0.531 53.560 53.050 -0.036 0.000 1.042 524 N CB 1.428 39.891 38.487 -0.040 0.000 1.684 524 N HN 0.700 nan 8.380 nan 0.000 0.542 525 A N 1.369 124.178 122.820 -0.018 0.000 2.549 525 A HA 0.545 4.864 4.320 -0.001 0.000 0.308 525 A C 0.144 177.724 177.584 -0.006 0.000 0.881 525 A CA 0.331 52.362 52.037 -0.011 0.000 0.562 525 A CB -0.505 18.491 19.000 -0.008 0.000 1.429 525 A HN 1.436 nan 8.150 nan 0.000 0.463 526 G N -1.085 107.714 108.800 -0.002 0.000 2.191 526 G HA2 0.715 4.674 3.960 -0.001 0.000 0.090 526 G HA3 0.715 4.674 3.960 -0.001 0.000 0.090 526 G C 0.326 175.228 174.900 0.003 0.000 1.980 526 G CA 1.839 46.940 45.100 0.001 0.000 1.116 526 G HN 3.101 nan 8.290 nan 0.000 0.313 527 N N 0.000 118.701 118.700 0.002 0.000 1.763 527 N HA 0.000 4.739 4.740 -0.001 0.000 0.220 527 N CA 0.000 nan 53.050 nan 0.000 0.885 527 N CB 0.000 nan 38.487 nan 0.000 1.341 527 N HN 0.000 nan 8.380 nan 0.000 0.667