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 1lco_1_B DATA FIRST_RESID 102 DATA SEQUENCE TKEDIARKEQ LKSLLPPLDN IINLYDFEYL ASQTLTKQAW AFYSSGANDE DATA SEQUENCE VTHRENHNAY HRIFFKPKIL VDVRKVDIST DMLGSHVDVP FYVSATALCK DATA SEQUENCE LGNPLEGEKD VARGCGQGVT KVPQMISTLA SCSPEEIIEA APSDKQIQWY DATA SEQUENCE QLYVNSDRKI TDDLVKNVEK LGVKALFVTV DAPSLGQREK DMKLKXXXXX DATA SEQUENCE XXXXXXXXXX XXXXQGASRA LSKFIDPSLT WKDIEELKKK TKLPIVIKGV DATA SEQUENCE QRTEDVIKAA EIGVSGVVLS NHGGRQLDFS RAPIEVLAET MPILEQRNLK DATA SEQUENCE DKLEVFVDGG VRRGTDVLKA LCLGAKGVGL GRPFLYANSC YGRNGVEKAI DATA SEQUENCE EILRDEIEMS MRLLGVTSIA ELKPDLLDLS TLKARTVGVP NDVLYNEVYE DATA SEQUENCE GPTLTEFEDA 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 102 T HA 0.000 nan 4.350 nan 0.000 0.228 102 T C 0.000 174.697 174.700 -0.004 0.000 1.109 102 T CA 0.000 62.099 62.100 -0.002 0.000 1.349 102 T CB 0.000 68.868 68.868 0.001 0.000 0.612 103 K N -0.364 120.032 120.400 -0.006 0.000 3.539 103 K HA -0.575 nan 4.320 nan 0.000 0.283 103 K C 1.132 177.727 176.600 -0.009 0.000 1.072 103 K CA 2.690 58.973 56.287 -0.007 0.000 1.092 103 K CB -1.136 31.361 32.500 -0.005 0.000 1.433 103 K HN 0.593 8.840 8.250 -0.005 0.000 0.429 104 E N -0.814 119.379 120.200 -0.011 0.000 2.187 104 E HA -0.388 nan 4.350 nan 0.000 0.199 104 E C 0.815 177.403 176.600 -0.020 0.000 1.004 104 E CA 3.491 59.881 56.400 -0.017 0.000 0.813 104 E CB -0.618 29.070 29.700 -0.020 0.000 0.736 104 E HN -0.111 8.150 8.360 -0.009 0.093 0.468 105 D N -2.035 118.355 120.400 -0.017 0.000 2.254 105 D HA -0.323 nan 4.640 nan 0.000 0.201 105 D C 1.909 178.198 176.300 -0.017 0.000 0.998 105 D CA 2.777 56.767 54.000 -0.017 0.000 0.885 105 D CB -1.279 39.513 40.800 -0.012 0.000 0.915 105 D HN 0.274 8.604 8.370 -0.014 0.031 0.460 106 I N -0.599 119.962 120.570 -0.015 0.000 2.133 106 I HA -0.398 nan 4.170 nan 0.000 0.238 106 I C 2.005 178.111 176.117 -0.018 0.000 1.074 106 I CA 2.256 63.547 61.300 -0.014 0.000 1.342 106 I CB -1.832 36.161 38.000 -0.011 0.000 1.053 106 I HN -0.166 8.017 8.210 -0.013 0.019 0.404 107 A N 0.288 123.095 122.820 -0.021 0.000 1.859 107 A HA -0.398 nan 4.320 nan 0.000 0.217 107 A C 2.404 179.966 177.584 -0.037 0.000 1.198 107 A CA 3.278 55.299 52.037 -0.027 0.000 0.629 107 A CB -1.035 17.947 19.000 -0.030 0.000 0.830 107 A HN -0.175 7.894 8.150 -0.019 0.069 0.446 108 R N -2.118 118.357 120.500 -0.042 0.000 2.083 108 R HA -0.330 nan 4.340 nan 0.000 0.237 108 R C 2.614 178.887 176.300 -0.044 0.000 1.137 108 R CA 3.365 59.433 56.100 -0.053 0.000 0.951 108 R CB -0.292 29.978 30.300 -0.051 0.000 0.851 108 R HN 0.107 8.251 8.270 -0.038 0.103 0.434 109 K N -2.002 118.379 120.400 -0.031 0.000 2.362 109 K HA -0.162 nan 4.320 nan 0.000 0.200 109 K C 3.129 179.715 176.600 -0.024 0.000 1.046 109 K CA 1.740 58.011 56.287 -0.026 0.000 0.952 109 K CB -0.972 31.517 32.500 -0.018 0.000 0.753 109 K HN -0.133 7.995 8.250 -0.027 0.106 0.466 110 E N -0.834 119.351 120.200 -0.024 0.000 2.190 110 E HA -0.071 nan 4.350 nan 0.000 0.191 110 E C 2.727 179.312 176.600 -0.025 0.000 0.978 110 E CA 1.486 57.875 56.400 -0.019 0.000 0.839 110 E CB -0.601 29.090 29.700 -0.016 0.000 0.787 110 E HN -0.218 8.018 8.360 -0.025 0.109 0.473 111 Q N -0.632 119.145 119.800 -0.038 0.000 2.050 111 Q HA -0.239 nan 4.340 nan 0.000 0.202 111 Q C 2.431 178.398 176.000 -0.054 0.000 0.980 111 Q CA 2.367 58.139 55.803 -0.051 0.000 0.840 111 Q CB 0.032 28.723 28.738 -0.080 0.000 0.898 111 Q HN 0.047 8.180 8.270 -0.041 0.113 0.424 112 L N -6.370 114.816 121.223 -0.062 0.000 1.993 112 L HA 0.033 nan 4.340 nan 0.000 0.206 112 L C 0.579 177.426 176.870 -0.039 0.000 1.074 112 L CA 1.420 56.218 54.840 -0.070 0.000 0.746 112 L CB -0.412 41.596 42.059 -0.085 0.000 0.896 112 L HN -0.118 8.076 8.230 -0.059 0.000 0.435 113 K N 2.712 123.095 120.400 -0.028 0.000 2.366 113 K HA -0.252 nan 4.320 nan 0.000 0.279 113 K C -0.370 176.229 176.600 -0.001 0.000 1.098 113 K CA 1.516 57.796 56.287 -0.011 0.000 1.087 113 K CB -0.428 32.066 32.500 -0.009 0.000 0.901 113 K HN -0.699 7.532 8.250 -0.032 0.000 0.463 114 S N 1.335 117.042 115.700 0.011 0.000 3.419 114 S HA -0.312 nan 4.470 nan 0.000 0.350 114 S C -0.626 173.987 174.600 0.022 0.000 1.128 114 S CA 1.313 59.526 58.200 0.023 0.000 0.999 114 S CB -0.760 62.452 63.200 0.020 0.000 0.923 114 S HN 0.375 8.692 8.310 0.012 0.000 0.522 115 L N -2.142 119.090 121.223 0.015 0.000 2.575 115 L HA 0.007 nan 4.340 nan 0.000 0.228 115 L C 0.280 177.173 176.870 0.039 0.000 1.075 115 L CA 0.310 55.163 54.840 0.021 0.000 0.867 115 L CB 1.226 43.289 42.059 0.007 0.000 1.097 115 L HN -0.299 7.759 8.230 0.003 0.173 0.485 116 L N 0.702 121.949 121.223 0.041 0.000 2.667 116 L HA -0.106 nan 4.340 nan 0.000 0.278 116 L C -0.825 176.144 176.870 0.164 0.000 1.217 116 L CA -0.711 54.188 54.840 0.098 0.000 0.935 116 L CB -1.033 41.075 42.059 0.081 0.000 1.193 116 L HN -0.595 7.643 8.230 0.014 0.000 0.493 117 P HA 0.153 nan 4.420 nan 0.000 0.265 117 P C -1.990 175.390 177.300 0.133 0.000 1.187 117 P CA -1.393 61.779 63.100 0.121 0.000 0.766 117 P CB -0.558 31.195 31.700 0.088 0.000 0.820 118 P HA -0.102 nan 4.420 nan 0.000 0.263 118 P C 0.819 178.071 177.300 -0.081 0.000 1.168 118 P CA 0.507 63.622 63.100 0.024 0.000 0.759 118 P CB 0.402 32.109 31.700 0.012 0.000 0.782 119 L N 2.446 123.551 121.223 -0.197 0.000 2.103 119 L HA -0.464 nan 4.340 nan 0.000 0.215 119 L C 1.310 178.088 176.870 -0.154 0.000 1.080 119 L CA 3.263 57.920 54.840 -0.305 0.000 0.764 119 L CB -0.291 41.618 42.059 -0.251 0.000 0.890 119 L HN 0.413 8.554 8.230 -0.148 0.000 0.435 120 D N -2.414 117.934 120.400 -0.086 0.000 2.403 120 D HA -0.166 nan 4.640 nan 0.000 0.227 120 D C 0.444 176.709 176.300 -0.058 0.000 0.995 120 D CA 2.218 56.185 54.000 -0.055 0.000 0.928 120 D CB -1.245 39.537 40.800 -0.030 0.000 0.887 120 D HN 0.364 8.672 8.370 -0.071 0.019 0.529 121 N N -2.162 116.493 118.700 -0.075 0.000 2.238 121 N HA 0.122 nan 4.740 nan 0.000 0.235 121 N C -1.138 174.315 175.510 -0.095 0.000 1.209 121 N CA -0.404 52.609 53.050 -0.062 0.000 0.879 121 N CB 1.851 40.320 38.487 -0.031 0.000 1.136 121 N HN -0.099 8.038 8.380 -0.099 0.183 0.517 122 I N 1.304 121.782 120.570 -0.153 0.000 2.307 122 I HA 0.022 nan 4.170 nan 0.000 0.287 122 I C -1.000 174.986 176.117 -0.219 0.000 1.054 122 I CA -1.107 60.040 61.300 -0.256 0.000 1.218 122 I CB -1.197 36.550 38.000 -0.423 0.000 1.398 122 I HN -0.554 7.500 8.210 -0.144 0.070 0.475 123 I N 5.601 126.071 120.570 -0.165 0.000 2.500 123 I HA -0.225 nan 4.170 nan 0.000 0.252 123 I C -0.558 175.482 176.117 -0.128 0.000 1.142 123 I CA 1.792 63.025 61.300 -0.113 0.000 1.451 123 I CB 0.679 38.637 38.000 -0.070 0.000 1.093 123 I HN 0.179 8.438 8.210 -0.149 -0.139 0.430 124 N N -3.649 114.939 118.700 -0.187 0.000 2.823 124 N HA 0.085 nan 4.740 nan 0.000 0.251 124 N C -0.289 175.060 175.510 -0.269 0.000 1.392 124 N CA -0.671 52.277 53.050 -0.170 0.000 0.864 124 N CB 1.809 40.271 38.487 -0.042 0.000 1.481 124 N HN -0.699 7.745 8.380 -0.254 -0.217 0.508 125 L N 0.227 121.277 121.223 -0.288 0.000 2.191 125 L HA -0.289 nan 4.340 nan 0.000 0.212 125 L C 1.330 178.057 176.870 -0.237 0.000 1.103 125 L CA 3.082 57.780 54.840 -0.236 0.000 0.769 125 L CB -0.344 41.507 42.059 -0.347 0.000 0.908 125 L HN 0.760 8.816 8.230 -0.290 0.000 0.438 126 Y N -3.670 116.605 120.300 -0.042 0.000 2.333 126 Y HA -0.451 nan 4.550 nan 0.000 0.290 126 Y C 1.857 177.749 175.900 -0.014 0.000 1.144 126 Y CA 2.557 60.646 58.100 -0.019 0.000 1.228 126 Y CB -1.428 37.012 38.460 -0.033 0.000 0.985 126 Y HN -0.170 7.586 8.280 -0.873 0.000 0.542 127 D N 0.111 120.516 120.400 0.009 0.000 2.123 127 D HA -0.336 nan 4.640 nan 0.000 0.196 127 D C 2.179 178.502 176.300 0.039 0.000 0.992 127 D CA 3.740 57.731 54.000 -0.015 0.000 0.833 127 D CB -0.875 39.812 40.800 -0.189 0.000 0.954 127 D HN 0.197 8.409 8.370 -0.077 0.112 0.455 128 F N -1.308 118.701 119.950 0.098 0.000 2.095 128 F HA -0.329 nan 4.527 nan 0.000 0.298 128 F C 2.159 177.966 175.800 0.012 0.000 1.104 128 F CA 2.814 60.878 58.000 0.108 0.000 1.232 128 F CB -0.474 38.603 39.000 0.128 0.000 0.987 128 F HN -0.810 7.321 8.300 -0.282 0.000 0.475 129 E N -0.220 120.063 120.200 0.138 0.000 2.051 129 E HA -0.464 nan 4.350 nan 0.000 0.192 129 E C 2.098 178.655 176.600 -0.073 0.000 0.991 129 E CA 3.230 59.535 56.400 -0.158 0.000 0.799 129 E CB -0.065 29.596 29.700 -0.067 0.000 0.748 129 E HN -0.664 7.737 8.360 0.194 0.075 0.449 130 Y N 0.916 121.190 120.300 -0.043 0.000 2.097 130 Y HA -0.391 nan 4.550 nan 0.000 0.282 130 Y C 2.396 178.232 175.900 -0.108 0.000 1.152 130 Y CA 3.244 61.299 58.100 -0.074 0.000 1.136 130 Y CB -0.002 38.438 38.460 -0.035 0.000 0.975 130 Y HN -0.007 8.407 8.280 0.224 0.000 0.498 131 L N -1.479 119.543 121.223 -0.336 0.000 2.046 131 L HA -0.392 nan 4.340 nan 0.000 0.208 131 L C 2.601 179.284 176.870 -0.311 0.000 1.077 131 L CA 1.781 56.400 54.840 -0.368 0.000 0.747 131 L CB -1.921 40.112 42.059 -0.043 0.000 0.896 131 L HN 0.130 8.352 8.230 -0.013 0.000 0.432 132 A N -0.438 122.271 122.820 -0.184 0.000 1.902 132 A HA -0.355 nan 4.320 nan 0.000 0.217 132 A C 2.044 179.374 177.584 -0.423 0.000 1.181 132 A CA 3.592 55.545 52.037 -0.139 0.000 0.623 132 A CB -0.720 18.339 19.000 0.097 0.000 0.818 132 A HN 0.714 8.818 8.150 -0.077 0.000 0.443 133 S N -2.943 112.280 115.700 -0.794 0.000 2.419 133 S HA -0.339 nan 4.470 nan 0.000 0.235 133 S C 1.280 175.352 174.600 -0.880 0.000 1.019 133 S CA 3.450 60.782 58.200 -1.448 0.000 0.982 133 S CB -0.202 62.243 63.200 -1.258 0.000 0.789 133 S HN 0.097 8.033 8.310 -0.625 0.000 0.490 134 Q N -2.708 116.712 119.800 -0.634 0.000 2.424 134 Q HA 0.174 nan 4.340 nan 0.000 0.204 134 Q C 1.702 177.517 176.000 -0.310 0.000 0.933 134 Q CA 0.891 56.423 55.803 -0.453 0.000 0.929 134 Q CB 0.493 28.940 28.738 -0.485 0.000 1.037 134 Q HN -0.536 7.206 8.270 -0.661 0.132 0.511 135 T N -6.355 108.032 114.554 -0.278 0.000 2.954 135 T HA 0.195 nan 4.350 nan 0.000 0.252 135 T C 0.151 174.784 174.700 -0.112 0.000 0.983 135 T CA -0.012 61.987 62.100 -0.169 0.000 0.941 135 T CB 1.569 70.348 68.868 -0.147 0.000 1.141 135 T HN -0.241 7.646 8.240 -0.325 0.159 0.500 136 L N 1.910 123.075 121.223 -0.096 0.000 2.476 136 L HA 0.002 nan 4.340 nan 0.000 0.255 136 L C 0.558 177.429 176.870 0.003 0.000 1.218 136 L CA 0.212 55.059 54.840 0.011 0.000 0.819 136 L CB 0.478 42.627 42.059 0.150 0.000 1.119 136 L HN -0.440 7.686 8.230 -0.172 0.000 0.485 137 T N -6.184 108.389 114.554 0.030 0.000 2.907 137 T HA 0.150 nan 4.350 nan 0.000 0.298 137 T C 1.386 176.123 174.700 0.062 0.000 1.017 137 T CA -0.697 61.417 62.100 0.022 0.000 1.118 137 T CB 0.762 69.635 68.868 0.009 0.000 0.948 137 T HN 0.190 8.455 8.240 0.042 0.000 0.531 138 K N 5.240 125.676 120.400 0.060 0.000 2.077 138 K HA -0.555 nan 4.320 nan 0.000 0.213 138 K C 1.448 178.112 176.600 0.107 0.000 1.051 138 K CA 4.181 60.533 56.287 0.109 0.000 0.929 138 K CB -0.601 31.941 32.500 0.071 0.000 0.715 138 K HN 0.608 8.877 8.250 0.032 0.000 0.451 139 Q N -1.536 118.291 119.800 0.046 0.000 2.135 139 Q HA -0.250 nan 4.340 nan 0.000 0.204 139 Q C 1.840 177.836 176.000 -0.006 0.000 0.981 139 Q CA 2.778 58.589 55.803 0.013 0.000 0.856 139 Q CB -1.061 27.666 28.738 -0.019 0.000 0.902 139 Q HN -0.082 8.198 8.270 0.031 0.009 0.425 140 A N 0.211 123.018 122.820 -0.022 0.000 1.855 140 A HA -0.171 nan 4.320 nan 0.000 0.213 140 A C 1.370 178.914 177.584 -0.067 0.000 1.195 140 A CA 2.436 54.369 52.037 -0.173 0.000 0.610 140 A CB -1.060 17.858 19.000 -0.136 0.000 0.837 140 A HN -0.017 8.021 8.150 0.010 0.118 0.444 141 W N -0.042 121.230 121.300 -0.047 0.000 2.318 141 W HA -0.566 nan 4.660 nan 0.000 0.313 141 W C 1.471 178.020 176.519 0.049 0.000 1.221 141 W CA 3.002 60.383 57.345 0.061 0.000 1.266 141 W CB 0.487 29.979 29.460 0.053 0.000 1.150 141 W HN -0.013 8.347 8.180 0.300 0.000 0.496 142 A N -2.285 120.567 122.820 0.054 0.000 1.908 142 A HA -0.392 nan 4.320 nan 0.000 0.218 142 A C 1.605 179.141 177.584 -0.080 0.000 1.181 142 A CA 3.406 55.401 52.037 -0.071 0.000 0.627 142 A CB -1.385 17.625 19.000 0.016 0.000 0.818 142 A HN 0.434 8.692 8.150 0.180 0.000 0.445 143 F N -1.137 118.709 119.950 -0.174 0.000 2.186 143 F HA -0.259 nan 4.527 nan 0.000 0.299 143 F C 1.341 177.098 175.800 -0.071 0.000 1.090 143 F CA 2.962 60.864 58.000 -0.164 0.000 1.307 143 F CB 0.251 39.113 39.000 -0.230 0.000 1.019 143 F HN -0.860 7.395 8.300 0.066 0.085 0.489 144 Y N -1.940 118.236 120.300 -0.207 0.000 2.176 144 Y HA -0.221 nan 4.550 nan 0.000 0.291 144 Y C 2.382 178.059 175.900 -0.370 0.000 1.122 144 Y CA 0.727 58.641 58.100 -0.309 0.000 1.128 144 Y CB -0.055 38.361 38.460 -0.072 0.000 1.005 144 Y HN 0.327 8.521 8.280 -0.144 0.000 0.509 145 S N -1.902 113.614 115.700 -0.307 0.000 2.631 145 S HA -0.105 nan 4.470 nan 0.000 0.217 145 S C 1.042 175.361 174.600 -0.469 0.000 0.958 145 S CA 0.883 58.794 58.200 -0.481 0.000 0.920 145 S CB -0.555 61.886 63.200 -1.264 0.000 0.776 145 S HN 0.047 8.129 8.310 -0.380 0.000 0.517 146 S N 2.316 117.769 115.700 -0.413 0.000 2.618 146 S HA 0.007 nan 4.470 nan 0.000 0.254 146 S C -1.041 173.278 174.600 -0.469 0.000 1.284 146 S CA 2.229 60.209 58.200 -0.366 0.000 0.975 146 S CB 0.878 63.918 63.200 -0.266 0.000 1.022 146 S HN -0.866 7.150 8.310 -0.379 0.066 0.571 147 G N -4.061 104.536 108.800 -0.338 0.000 2.576 147 G HA2 0.139 nan 3.960 nan 0.000 0.290 147 G HA3 0.139 nan 3.960 nan 0.000 0.290 147 G C -2.770 172.034 174.900 -0.160 0.000 1.442 147 G CA -0.204 44.713 45.100 -0.305 0.000 0.792 147 G HN -0.291 7.854 8.290 -0.242 0.000 0.491 148 A N -0.790 121.964 122.820 -0.110 0.000 2.347 148 A HA 0.138 nan 4.320 nan 0.000 0.287 148 A C -0.220 177.329 177.584 -0.059 0.000 1.199 148 A CA -1.278 50.714 52.037 -0.074 0.000 0.851 148 A CB 0.157 19.123 19.000 -0.056 0.000 1.118 148 A HN 0.345 8.334 8.150 -0.099 0.102 0.525 149 N N 6.214 124.887 118.700 -0.045 0.000 2.240 149 N HA -0.445 nan 4.740 nan 0.000 0.360 149 N C -0.439 175.066 175.510 -0.009 0.000 1.163 149 N CA 1.090 54.128 53.050 -0.020 0.000 0.713 149 N CB -1.045 37.445 38.487 0.005 0.000 0.996 149 N HN 0.225 8.575 8.380 -0.051 0.000 0.554 150 D N -1.265 119.129 120.400 -0.010 0.000 2.078 150 D HA -0.378 nan 4.640 nan 0.000 0.169 150 D C -0.279 176.002 176.300 -0.031 0.000 1.364 150 D CA 2.373 56.373 54.000 0.000 0.000 1.286 150 D CB -0.422 40.400 40.800 0.036 0.000 1.274 150 D HN 0.351 8.713 8.370 -0.015 0.000 0.522 151 E N -4.411 115.754 120.200 -0.058 0.000 2.440 151 E HA -0.472 nan 4.350 nan 0.000 0.246 151 E C 0.685 177.251 176.600 -0.056 0.000 1.165 151 E CA 0.679 57.059 56.400 -0.034 0.000 0.726 151 E CB -2.132 27.578 29.700 0.016 0.000 1.271 151 E HN -0.148 8.145 8.360 -0.066 0.027 0.397 152 V N -5.478 114.314 119.914 -0.204 0.000 2.446 152 V HA -0.119 nan 4.120 nan 0.000 0.244 152 V C 0.870 176.813 176.094 -0.251 0.000 1.039 152 V CA 4.105 66.251 62.300 -0.257 0.000 1.045 152 V CB -0.170 31.388 31.823 -0.442 0.000 0.681 152 V HN -0.482 7.916 8.190 -0.265 -0.366 0.459 153 T N 3.090 117.477 114.554 -0.277 0.000 2.746 153 T HA -0.325 nan 4.350 nan 0.000 0.267 153 T C 1.144 175.815 174.700 -0.047 0.000 1.039 153 T CA 5.645 67.651 62.100 -0.156 0.000 1.142 153 T CB -0.748 68.046 68.868 -0.123 0.000 0.866 153 T HN -0.001 8.269 8.240 -0.380 -0.258 0.444 154 H N 2.185 121.193 119.070 -0.103 0.000 2.321 154 H HA -0.358 nan 4.556 nan 0.000 0.295 154 H C 1.839 177.142 175.328 -0.042 0.000 1.102 154 H CA 3.898 59.909 56.048 -0.063 0.000 1.266 154 H CB -0.119 29.602 29.762 -0.068 0.000 1.363 154 H HN -0.051 8.260 8.280 0.051 0.000 0.492 155 R N -2.894 117.545 120.500 -0.101 0.000 2.093 155 R HA -0.261 nan 4.340 nan 0.000 0.224 155 R C 2.204 178.453 176.300 -0.085 0.000 1.101 155 R CA 2.840 58.860 56.100 -0.134 0.000 0.979 155 R CB 0.032 30.301 30.300 -0.052 0.000 0.877 155 R HN -0.541 7.717 8.270 -0.019 0.000 0.441 156 E N 0.340 120.489 120.200 -0.084 0.000 2.209 156 E HA -0.327 nan 4.350 nan 0.000 0.196 156 E C 2.128 178.671 176.600 -0.096 0.000 0.993 156 E CA 2.654 59.004 56.400 -0.084 0.000 0.819 156 E CB -0.699 28.945 29.700 -0.093 0.000 0.745 156 E HN 0.363 8.668 8.360 -0.091 0.000 0.477 157 N N -1.881 116.771 118.700 -0.081 0.000 2.069 157 N HA -0.321 nan 4.740 nan 0.000 0.191 157 N C 2.118 177.606 175.510 -0.037 0.000 1.031 157 N CA 2.877 55.887 53.050 -0.067 0.000 0.852 157 N CB -0.250 38.220 38.487 -0.028 0.000 1.018 157 N HN 0.266 8.558 8.380 -0.083 0.038 0.423 158 H N 0.049 119.055 119.070 -0.106 0.000 2.307 158 H HA -0.074 nan 4.556 nan 0.000 0.303 158 H C 2.297 177.538 175.328 -0.145 0.000 1.073 158 H CA 3.014 59.033 56.048 -0.049 0.000 1.338 158 H CB 0.660 30.358 29.762 -0.107 0.000 1.389 158 H HN -0.606 7.687 8.280 0.033 0.007 0.503 159 N N 0.372 118.910 118.700 -0.271 0.000 2.364 159 N HA -0.345 nan 4.740 nan 0.000 0.183 159 N C 2.259 177.593 175.510 -0.293 0.000 1.022 159 N CA 2.749 55.564 53.050 -0.391 0.000 0.883 159 N CB -0.096 38.304 38.487 -0.146 0.000 0.965 159 N HN -0.197 8.138 8.380 -0.075 0.000 0.438 160 A N 0.172 122.839 122.820 -0.256 0.000 2.125 160 A HA -0.183 nan 4.320 nan 0.000 0.219 160 A C 1.946 179.369 177.584 -0.268 0.000 1.156 160 A CA 2.425 54.319 52.037 -0.237 0.000 0.671 160 A CB -0.919 17.911 19.000 -0.283 0.000 0.794 160 A HN 0.170 8.161 8.150 -0.242 0.014 0.459 161 Y N -1.996 118.166 120.300 -0.231 0.000 2.333 161 Y HA -0.323 nan 4.550 nan 0.000 0.290 161 Y C 2.254 178.122 175.900 -0.053 0.000 1.144 161 Y CA 2.764 60.756 58.100 -0.179 0.000 1.228 161 Y CB -0.527 37.777 38.460 -0.259 0.000 0.985 161 Y HN -0.464 7.474 8.280 -0.348 0.133 0.542 162 H N -2.167 116.824 119.070 -0.131 0.000 2.547 162 H HA 0.066 nan 4.556 nan 0.000 0.266 162 H C 0.692 175.976 175.328 -0.073 0.000 0.988 162 H CA 1.013 56.965 56.048 -0.160 0.000 1.147 162 H CB -0.594 29.095 29.762 -0.122 0.000 1.365 162 H HN -0.009 8.058 8.280 -0.052 0.182 0.589 163 R N -1.450 119.096 120.500 0.077 0.000 2.297 163 R HA 0.040 nan 4.340 nan 0.000 0.197 163 R C -0.326 176.041 176.300 0.111 0.000 0.943 163 R CA 0.702 56.864 56.100 0.103 0.000 1.038 163 R CB 0.728 31.045 30.300 0.029 0.000 0.957 163 R HN -0.670 7.424 8.270 0.029 0.194 0.484 164 I N 0.562 121.115 120.570 -0.029 0.000 2.404 164 I HA 0.047 nan 4.170 nan 0.000 0.293 164 I C -1.797 174.140 176.117 -0.300 0.000 0.992 164 I CA -0.653 60.607 61.300 -0.068 0.000 1.149 164 I CB 1.817 39.755 38.000 -0.103 0.000 1.315 164 I HN -0.402 7.598 8.210 -0.102 0.149 0.446 165 F N 5.040 124.879 119.950 -0.185 0.000 2.556 165 F HA 0.245 nan 4.527 nan 0.000 0.327 165 F C -0.655 175.059 175.800 -0.144 0.000 1.059 165 F CA -1.170 56.715 58.000 -0.191 0.000 0.953 165 F CB 3.839 42.798 39.000 -0.068 0.000 1.227 165 F HN -0.092 8.294 8.300 0.144 0.000 0.478 166 F N 1.585 121.607 119.950 0.119 0.000 2.368 166 F HA 0.307 nan 4.527 nan 0.000 0.315 166 F C -0.513 175.341 175.800 0.090 0.000 1.145 166 F CA -0.565 57.480 58.000 0.075 0.000 1.095 166 F CB 1.025 40.043 39.000 0.030 0.000 1.286 166 F HN 0.029 8.447 8.300 0.196 0.000 0.530 167 K N 0.545 121.121 120.400 0.294 0.000 2.842 167 K HA 0.374 nan 4.320 nan 0.000 0.176 167 K C -2.481 174.177 176.600 0.098 0.000 1.080 167 K CA -1.766 54.617 56.287 0.161 0.000 0.954 167 K CB 0.456 33.032 32.500 0.127 0.000 1.203 167 K HN -0.143 8.233 8.250 0.326 0.069 0.611 168 P HA 0.050 nan 4.420 nan 0.000 0.269 168 P C -1.687 175.617 177.300 0.006 0.000 1.215 168 P CA -0.385 62.716 63.100 0.001 0.000 0.780 168 P CB 0.775 32.466 31.700 -0.014 0.000 0.898 169 K N 2.531 122.925 120.400 -0.010 0.000 2.206 169 K HA 0.193 nan 4.320 nan 0.000 0.264 169 K C -0.900 175.695 176.600 -0.009 0.000 0.967 169 K CA -0.679 55.606 56.287 -0.003 0.000 0.844 169 K CB 1.544 34.041 32.500 -0.005 0.000 1.099 169 K HN 0.218 8.332 8.250 -0.029 0.119 0.441 170 I N -2.836 117.732 120.570 -0.003 0.000 2.947 170 I HA 0.221 nan 4.170 nan 0.000 0.314 170 I C -0.178 175.937 176.117 -0.003 0.000 1.028 170 I CA -1.040 60.257 61.300 -0.004 0.000 1.077 170 I CB 0.902 38.902 38.000 -0.000 0.000 1.274 170 I HN 0.042 8.253 8.210 0.002 0.000 0.485 171 L N 0.912 122.132 121.223 -0.004 0.000 3.601 171 L HA -0.302 nan 4.340 nan 0.000 0.469 171 L C -1.564 175.304 176.870 -0.003 0.000 1.294 171 L CA 0.460 55.298 54.840 -0.003 0.000 0.829 171 L CB -1.622 40.437 42.059 -0.000 0.000 1.628 171 L HN 0.423 8.650 8.230 -0.005 0.000 0.868 172 V N 0.399 120.309 119.914 -0.006 0.000 2.588 172 V HA 0.134 nan 4.120 nan 0.000 0.304 172 V C -0.535 175.555 176.094 -0.007 0.000 1.042 172 V CA -1.493 60.803 62.300 -0.006 0.000 0.877 172 V CB 3.171 34.989 31.823 -0.009 0.000 0.996 172 V HN -0.567 7.618 8.190 -0.008 0.000 0.425 173 D N 7.700 128.097 120.400 -0.004 0.000 2.382 173 D HA 0.014 nan 4.640 nan 0.000 0.259 173 D C 0.172 176.468 176.300 -0.006 0.000 1.224 173 D CA 0.869 54.867 54.000 -0.004 0.000 0.894 173 D CB 0.808 41.607 40.800 -0.002 0.000 1.127 173 D HN 0.074 8.443 8.370 -0.003 0.000 0.487 174 V N -1.215 118.694 119.914 -0.007 0.000 2.838 174 V HA 0.409 nan 4.120 nan 0.000 0.363 174 V C 0.360 176.450 176.094 -0.007 0.000 1.324 174 V CA -1.663 60.631 62.300 -0.009 0.000 1.220 174 V CB -1.007 30.807 31.823 -0.016 0.000 1.328 174 V HN 0.060 8.246 8.190 -0.007 0.000 0.595 175 R N 2.816 123.314 120.500 -0.004 0.000 2.120 175 R HA -0.263 nan 4.340 nan 0.000 0.234 175 R C -0.845 175.455 176.300 -0.001 0.000 1.123 175 R CA 2.708 58.806 56.100 -0.002 0.000 0.975 175 R CB 0.385 30.684 30.300 -0.001 0.000 0.866 175 R HN -0.523 8.023 8.270 -0.003 -0.279 0.446 176 K N -2.304 118.096 120.400 0.000 0.000 2.507 176 K HA 0.043 nan 4.320 nan 0.000 0.252 176 K C -2.426 174.176 176.600 0.003 0.000 0.943 176 K CA -0.583 55.706 56.287 0.003 0.000 0.808 176 K CB 1.542 34.044 32.500 0.004 0.000 1.142 176 K HN -0.393 7.815 8.250 -0.001 0.042 0.426 177 V N 3.610 123.527 119.914 0.004 0.000 2.914 177 V HA 0.460 nan 4.120 nan 0.000 0.314 177 V C -1.957 174.143 176.094 0.012 0.000 1.084 177 V CA -2.257 60.046 62.300 0.005 0.000 0.963 177 V CB 2.704 34.526 31.823 -0.001 0.000 1.025 177 V HN 0.172 8.366 8.190 0.006 0.000 0.432 178 D N 4.291 124.700 120.400 0.015 0.000 2.736 178 D HA 0.315 nan 4.640 nan 0.000 0.243 178 D C -1.143 175.170 176.300 0.021 0.000 1.304 178 D CA -0.281 53.733 54.000 0.023 0.000 0.934 178 D CB 3.228 44.046 40.800 0.031 0.000 1.382 178 D HN 0.479 8.761 8.370 0.013 0.096 0.571 179 I N -3.673 116.907 120.570 0.018 0.000 3.856 179 I HA 0.245 nan 4.170 nan 0.000 0.333 179 I C -1.448 174.657 176.117 -0.020 0.000 1.525 179 I CA -0.707 60.600 61.300 0.011 0.000 1.173 179 I CB 0.152 38.168 38.000 0.028 0.000 1.175 179 I HN -0.007 8.214 8.210 0.019 0.000 0.424 180 S N 0.042 115.726 115.700 -0.027 0.000 2.632 180 S HA 0.105 nan 4.470 nan 0.000 0.271 180 S C -1.047 173.450 174.600 -0.172 0.000 1.260 180 S CA -0.838 57.287 58.200 -0.125 0.000 1.010 180 S CB 2.129 65.299 63.200 -0.050 0.000 0.965 180 S HN -0.790 7.603 8.310 0.010 -0.077 0.534 181 T N -0.111 114.261 114.554 -0.302 0.000 2.731 181 T HA 0.294 nan 4.350 nan 0.000 0.300 181 T C -2.506 172.044 174.700 -0.250 0.000 1.283 181 T CA -1.100 60.900 62.100 -0.167 0.000 1.005 181 T CB 2.666 71.503 68.868 -0.053 0.000 1.420 181 T HN 0.320 8.308 8.240 -0.420 0.000 0.503 182 D N 2.086 122.454 120.400 -0.053 0.000 2.461 182 D HA 0.501 nan 4.640 nan 0.000 0.240 182 D C -1.018 175.341 176.300 0.098 0.000 1.094 182 D CA -0.013 54.008 54.000 0.035 0.000 0.868 182 D CB 1.210 42.072 40.800 0.103 0.000 1.062 182 D HN 0.277 8.639 8.370 -0.012 0.000 0.530 183 M N 3.887 123.594 119.600 0.179 0.000 2.114 183 M HA 0.112 nan 4.480 nan 0.000 0.332 183 M C -0.991 175.536 176.300 0.379 0.000 1.014 183 M CA -0.635 54.866 55.300 0.335 0.000 0.956 183 M CB 1.629 34.588 32.600 0.598 0.000 1.551 183 M HN -0.239 8.146 8.290 0.159 0.000 0.427 184 L N 2.213 123.611 121.223 0.291 0.000 3.550 184 L HA -0.486 nan 4.340 nan 0.000 0.523 184 L C 0.963 177.936 176.870 0.171 0.000 1.312 184 L CA 0.223 55.186 54.840 0.205 0.000 0.864 184 L CB -1.391 40.772 42.059 0.173 0.000 1.592 184 L HN 0.495 9.218 8.230 0.231 -0.354 0.859 185 G N -1.088 107.793 108.800 0.134 0.000 2.990 185 G HA2 -0.512 nan 3.960 nan 0.000 0.225 185 G HA3 -0.512 nan 3.960 nan 0.000 0.225 185 G C 0.055 175.032 174.900 0.127 0.000 1.304 185 G CA 0.325 45.490 45.100 0.110 0.000 0.816 185 G HN 0.308 8.675 8.290 0.128 0.000 0.528 186 S N 2.418 118.211 115.700 0.155 0.000 2.584 186 S HA -0.062 nan 4.470 nan 0.000 0.270 186 S C -1.469 173.231 174.600 0.166 0.000 1.346 186 S CA -0.121 58.166 58.200 0.145 0.000 1.018 186 S CB 1.070 64.353 63.200 0.137 0.000 0.899 186 S HN -0.278 8.059 8.310 0.186 0.086 0.542 187 H N 3.662 122.758 119.070 0.042 0.000 2.685 187 H HA 0.316 nan 4.556 nan 0.000 0.307 187 H C -1.154 174.177 175.328 0.006 0.000 1.017 187 H CA -1.108 54.959 56.048 0.032 0.000 1.237 187 H CB 0.895 30.670 29.762 0.021 0.000 1.409 187 H HN -0.184 8.210 8.280 0.190 0.000 0.488 188 V N 1.800 121.572 119.914 -0.237 0.000 2.837 188 V HA 0.446 nan 4.120 nan 0.000 0.310 188 V C -0.333 175.593 176.094 -0.281 0.000 1.059 188 V CA -2.901 59.282 62.300 -0.195 0.000 1.004 188 V CB 2.333 34.066 31.823 -0.150 0.000 1.045 188 V HN 0.364 8.378 8.190 -0.293 0.000 0.465 189 D N 2.362 122.657 120.400 -0.174 0.000 2.117 189 D HA -0.205 nan 4.640 nan 0.000 0.197 189 D C -0.350 175.855 176.300 -0.159 0.000 0.987 189 D CA 3.132 57.051 54.000 -0.134 0.000 0.829 189 D CB 0.357 41.090 40.800 -0.112 0.000 0.961 189 D HN 0.014 8.288 8.370 -0.159 0.000 0.460 190 V N -9.182 110.586 119.914 -0.242 0.000 3.074 190 V HA 0.589 nan 4.120 nan 0.000 0.314 190 V C -1.955 174.008 176.094 -0.217 0.000 1.117 190 V CA -4.015 58.131 62.300 -0.256 0.000 1.014 190 V CB 1.386 32.908 31.823 -0.501 0.000 1.057 190 V HN -0.626 7.394 8.190 -0.283 0.000 0.438 191 P HA 0.355 nan 4.420 nan 0.000 0.255 191 P C -2.265 175.153 177.300 0.196 0.000 1.357 191 P CA 0.196 63.336 63.100 0.066 0.000 0.839 191 P CB -1.259 30.500 31.700 0.098 0.000 1.356 192 F N -4.402 115.621 119.950 0.122 0.000 2.629 192 F HA 0.777 nan 4.527 nan 0.000 0.316 192 F C -2.907 172.992 175.800 0.164 0.000 1.081 192 F CA -2.485 55.579 58.000 0.106 0.000 0.954 192 F CB 2.857 41.890 39.000 0.055 0.000 1.337 192 F HN -1.026 7.004 8.300 -0.332 0.072 0.474 193 Y N -6.158 114.407 120.300 0.442 0.000 2.669 193 Y HA 0.541 nan 4.550 nan 0.000 0.335 193 Y C -2.074 173.916 175.900 0.151 0.000 1.116 193 Y CA -2.621 55.578 58.100 0.165 0.000 1.081 193 Y CB 1.655 40.157 38.460 0.070 0.000 1.297 193 Y HN 0.187 8.464 8.280 -0.005 0.000 0.484 194 V N -0.480 119.499 119.914 0.108 0.000 2.509 194 V HA 0.228 nan 4.120 nan 0.000 0.284 194 V C -0.559 175.671 176.094 0.227 0.000 1.047 194 V CA -0.604 61.661 62.300 -0.059 0.000 0.952 194 V CB -0.320 31.272 31.823 -0.384 0.000 0.988 194 V HN 0.021 8.221 8.190 0.017 0.000 0.469 195 S N 4.723 120.545 115.700 0.204 0.000 2.722 195 S HA 0.207 nan 4.470 nan 0.000 0.292 195 S C -1.422 173.179 174.600 0.002 0.000 1.135 195 S CA -1.767 56.531 58.200 0.165 0.000 1.003 195 S CB 2.802 66.069 63.200 0.112 0.000 1.067 195 S HN -0.206 8.211 8.310 0.179 0.000 0.546 196 A N 0.610 123.379 122.820 -0.085 0.000 2.438 196 A HA -0.010 nan 4.320 nan 0.000 0.280 196 A C -0.941 176.591 177.584 -0.088 0.000 1.160 196 A CA 0.414 52.383 52.037 -0.112 0.000 0.821 196 A CB 0.260 19.152 19.000 -0.180 0.000 1.101 196 A HN 0.309 8.388 8.150 -0.119 0.000 0.515 197 T N 5.850 120.366 114.554 -0.062 0.000 2.821 197 T HA 0.146 nan 4.350 nan 0.000 0.307 197 T C -0.664 174.066 174.700 0.050 0.000 1.034 197 T CA -0.893 61.177 62.100 -0.050 0.000 0.953 197 T CB 1.020 69.810 68.868 -0.130 0.000 0.968 197 T HN 0.268 8.472 8.240 -0.060 0.000 0.462 198 A N 7.249 130.157 122.820 0.147 0.000 2.609 198 A HA -0.085 nan 4.320 nan 0.000 0.232 198 A C 0.265 178.047 177.584 0.331 0.000 1.041 198 A CA 0.525 52.710 52.037 0.247 0.000 0.753 198 A CB 0.308 19.536 19.000 0.380 0.000 0.966 198 A HN 0.548 8.777 8.150 0.133 0.000 0.510 199 L N -3.586 117.750 121.223 0.188 0.000 3.854 199 L HA -0.503 nan 4.340 nan 0.000 0.460 199 L C 1.035 178.053 176.870 0.247 0.000 1.228 199 L CA 0.166 55.098 54.840 0.153 0.000 0.760 199 L CB -3.303 38.767 42.059 0.019 0.000 1.597 199 L HN -0.004 8.302 8.230 0.126 0.000 0.852 200 C N -0.312 119.096 119.300 0.179 0.000 2.393 200 C HA -0.498 nan 4.460 nan 0.000 0.292 200 C C 1.955 177.049 174.990 0.174 0.000 1.347 200 C CA 3.153 62.262 59.018 0.151 0.000 1.810 200 C CB -1.980 25.785 27.740 0.042 0.000 1.899 200 C HN 0.388 8.804 8.230 0.130 -0.108 0.532 201 K N -0.745 119.735 120.400 0.133 0.000 2.504 201 K HA -0.171 nan 4.320 nan 0.000 0.195 201 K C 1.233 177.899 176.600 0.110 0.000 1.036 201 K CA 2.041 58.387 56.287 0.098 0.000 0.984 201 K CB -0.497 32.036 32.500 0.056 0.000 0.788 201 K HN -0.543 7.717 8.250 0.116 0.061 0.488 202 L N -2.326 118.995 121.223 0.165 0.000 2.056 202 L HA -0.235 nan 4.340 nan 0.000 0.207 202 L C 0.882 177.843 176.870 0.152 0.000 1.078 202 L CA 2.494 57.389 54.840 0.091 0.000 0.749 202 L CB 0.301 42.338 42.059 -0.036 0.000 0.901 202 L HN -0.128 8.197 8.230 0.234 0.046 0.433 203 G N -4.468 104.540 108.800 0.346 0.000 2.441 203 G HA2 -0.101 nan 3.960 nan 0.000 0.212 203 G HA3 -0.101 nan 3.960 nan 0.000 0.212 203 G C 0.081 175.076 174.900 0.158 0.000 1.164 203 G CA -0.012 45.276 45.100 0.313 0.000 0.811 203 G HN -0.594 8.011 8.290 0.526 0.000 0.535 204 N N 1.122 119.903 118.700 0.135 0.000 2.955 204 N HA 0.534 nan 4.740 nan 0.000 0.242 204 N C -1.435 174.111 175.510 0.060 0.000 1.123 204 N CA -3.107 49.986 53.050 0.072 0.000 0.949 204 N CB 1.052 39.569 38.487 0.050 0.000 1.214 204 N HN -0.431 8.054 8.380 0.175 0.000 0.504 205 P HA -0.197 nan 4.420 nan 0.000 0.214 205 P C -0.034 177.283 177.300 0.028 0.000 1.163 205 P CA 1.885 65.006 63.100 0.036 0.000 0.889 205 P CB -0.126 31.589 31.700 0.025 0.000 0.790 206 L N -4.902 116.335 121.223 0.023 0.000 1.989 206 L HA -0.205 nan 4.340 nan 0.000 0.211 206 L C 1.888 178.770 176.870 0.021 0.000 1.071 206 L CA 2.434 57.285 54.840 0.019 0.000 0.749 206 L CB -0.419 41.649 42.059 0.016 0.000 0.890 206 L HN -0.193 8.050 8.230 0.023 0.000 0.431 207 E N -6.555 113.658 120.200 0.023 0.000 2.514 207 E HA 0.145 nan 4.350 nan 0.000 0.215 207 E C 1.188 177.801 176.600 0.023 0.000 0.946 207 E CA -1.118 55.294 56.400 0.020 0.000 1.038 207 E CB 2.197 31.906 29.700 0.016 0.000 1.069 207 E HN -0.285 8.399 8.360 0.025 -0.310 0.503 208 G N 0.652 109.471 108.800 0.031 0.000 2.652 208 G HA2 -0.517 nan 3.960 nan 0.000 0.318 208 G HA3 -0.517 nan 3.960 nan 0.000 0.318 208 G C 0.072 174.985 174.900 0.021 0.000 1.295 208 G CA 1.501 46.623 45.100 0.037 0.000 0.999 208 G HN 0.258 8.658 8.290 0.035 -0.089 0.548 209 E N 2.710 122.922 120.200 0.020 0.000 2.494 209 E HA -0.057 nan 4.350 nan 0.000 0.193 209 E C 1.662 178.260 176.600 -0.003 0.000 1.074 209 E CA 0.640 57.042 56.400 0.003 0.000 0.867 209 E CB -0.868 28.836 29.700 0.007 0.000 0.924 209 E HN 0.180 8.557 8.360 0.029 0.000 0.502 210 K N 0.582 120.985 120.400 0.004 0.000 2.076 210 K HA -0.217 nan 4.320 nan 0.000 0.204 210 K C 1.948 178.543 176.600 -0.009 0.000 1.051 210 K CA 3.596 59.883 56.287 0.000 0.000 0.949 210 K CB -0.259 32.245 32.500 0.007 0.000 0.726 210 K HN -0.005 8.181 8.250 0.011 0.071 0.443 211 D N -0.050 120.347 120.400 -0.005 0.000 2.144 211 D HA -0.172 nan 4.640 nan 0.000 0.199 211 D C 2.200 178.486 176.300 -0.024 0.000 0.984 211 D CA 3.266 57.262 54.000 -0.007 0.000 0.834 211 D CB -0.183 40.619 40.800 0.002 0.000 0.955 211 D HN -0.618 7.753 8.370 0.002 0.000 0.465 212 V N -0.350 119.541 119.914 -0.038 0.000 2.307 212 V HA -0.386 nan 4.120 nan 0.000 0.245 212 V C 1.708 177.755 176.094 -0.079 0.000 1.045 212 V CA 4.260 66.518 62.300 -0.070 0.000 1.024 212 V CB -0.844 30.926 31.823 -0.089 0.000 0.651 212 V HN -0.710 7.376 8.190 -0.029 0.087 0.449 213 A N -1.063 121.719 122.820 -0.063 0.000 1.903 213 A HA -0.443 nan 4.320 nan 0.000 0.219 213 A C 2.036 179.586 177.584 -0.058 0.000 1.191 213 A CA 3.405 55.404 52.037 -0.064 0.000 0.638 213 A CB -0.796 18.179 19.000 -0.042 0.000 0.823 213 A HN -0.338 7.783 8.150 -0.048 0.000 0.451 214 R N -2.594 117.883 120.500 -0.039 0.000 2.081 214 R HA -0.382 nan 4.340 nan 0.000 0.235 214 R C 2.652 178.933 176.300 -0.032 0.000 1.131 214 R CA 2.993 59.076 56.100 -0.028 0.000 0.960 214 R CB -0.020 30.272 30.300 -0.014 0.000 0.856 214 R HN 0.049 8.300 8.270 -0.032 0.000 0.436 215 G N -1.928 106.851 108.800 -0.036 0.000 2.408 215 G HA2 -0.209 nan 3.960 nan 0.000 0.217 215 G HA3 -0.209 nan 3.960 nan 0.000 0.217 215 G C 0.991 175.858 174.900 -0.055 0.000 1.150 215 G CA 1.918 46.999 45.100 -0.032 0.000 0.776 215 G HN -0.078 8.101 8.290 -0.040 0.087 0.542 216 C N -1.424 117.818 119.300 -0.096 0.000 2.472 216 C HA -0.043 nan 4.460 nan 0.000 0.278 216 C C 0.860 175.790 174.990 -0.100 0.000 1.447 216 C CA 1.222 60.164 59.018 -0.125 0.000 1.773 216 C CB -1.820 25.814 27.740 -0.177 0.000 1.793 216 C HN 0.054 8.223 8.230 -0.102 0.000 0.544 217 G N -2.583 106.174 108.800 -0.071 0.000 3.651 217 G HA2 0.163 nan 3.960 nan 0.000 0.267 217 G HA3 0.163 nan 3.960 nan 0.000 0.267 217 G C -0.050 174.829 174.900 -0.036 0.000 1.009 217 G CA 0.390 45.455 45.100 -0.058 0.000 0.866 217 G HN -0.521 7.584 8.290 -0.064 0.146 0.488 218 Q N 0.696 120.481 119.800 -0.025 0.000 2.212 218 Q HA -0.068 nan 4.340 nan 0.000 0.199 218 Q C 0.420 176.416 176.000 -0.006 0.000 0.950 218 Q CA 1.041 56.836 55.803 -0.013 0.000 0.863 218 Q CB 0.131 28.866 28.738 -0.005 0.000 0.944 218 Q HN -0.180 8.073 8.270 -0.028 0.000 0.465 219 G N -0.938 107.859 108.800 -0.005 0.000 2.531 219 G HA2 -0.006 nan 3.960 nan 0.000 0.253 219 G HA3 -0.006 nan 3.960 nan 0.000 0.253 219 G C -1.082 173.815 174.900 -0.004 0.000 1.439 219 G CA -1.496 43.605 45.100 0.002 0.000 1.056 219 G HN -0.584 7.666 8.290 -0.010 0.035 0.555 220 V N -0.981 118.934 119.914 0.001 0.000 2.323 220 V HA -0.237 nan 4.120 nan 0.000 0.244 220 V C 0.716 176.802 176.094 -0.012 0.000 1.041 220 V CA 2.656 64.954 62.300 -0.002 0.000 1.025 220 V CB -0.019 31.807 31.823 0.005 0.000 0.656 220 V HN 0.409 8.604 8.190 0.008 0.000 0.451 221 T N 0.372 114.917 114.554 -0.014 0.000 2.845 221 T HA 0.118 nan 4.350 nan 0.000 0.288 221 T C -1.107 173.552 174.700 -0.068 0.000 0.980 221 T CA -0.166 61.910 62.100 -0.040 0.000 1.071 221 T CB 0.725 69.575 68.868 -0.031 0.000 0.941 221 T HN -0.476 7.762 8.240 -0.002 0.000 0.487 222 K N 6.766 127.108 120.400 -0.096 0.000 2.293 222 K HA 0.336 nan 4.320 nan 0.000 0.267 222 K C -1.700 174.786 176.600 -0.190 0.000 1.010 222 K CA -1.124 55.090 56.287 -0.122 0.000 0.875 222 K CB 1.270 33.710 32.500 -0.101 0.000 1.106 222 K HN 0.210 8.715 8.250 -0.092 -0.310 0.450 223 V N 6.266 126.045 119.914 -0.224 0.000 2.417 223 V HA 0.427 nan 4.120 nan 0.000 0.291 223 V C -2.112 173.794 176.094 -0.313 0.000 1.024 223 V CA -3.756 58.360 62.300 -0.307 0.000 0.861 223 V CB 1.568 33.215 31.823 -0.293 0.000 0.985 223 V HN -0.126 7.950 8.190 -0.190 0.000 0.436 224 P HA 0.004 nan 4.420 nan 0.000 0.266 224 P C -2.214 174.814 177.300 -0.454 0.000 1.186 224 P CA 0.054 62.791 63.100 -0.605 0.000 0.767 224 P CB 0.627 31.676 31.700 -1.086 0.000 0.820 225 Q N 1.235 120.773 119.800 -0.437 0.000 2.356 225 Q HA 0.534 nan 4.340 nan 0.000 0.270 225 Q C -2.161 173.743 176.000 -0.159 0.000 1.058 225 Q CA -1.409 54.248 55.803 -0.243 0.000 0.802 225 Q CB 3.753 32.381 28.738 -0.183 0.000 1.303 225 Q HN -0.145 7.802 8.270 -0.539 0.000 0.444 226 M N 5.299 124.857 119.600 -0.070 0.000 2.294 226 M HA 0.443 nan 4.480 nan 0.000 0.335 226 M C -1.244 175.011 176.300 -0.076 0.000 1.079 226 M CA -1.095 54.186 55.300 -0.031 0.000 0.982 226 M CB 2.758 35.270 32.600 -0.146 0.000 1.651 226 M HN -0.071 8.175 8.290 -0.072 0.000 0.437 227 I N 4.880 125.403 120.570 -0.078 0.000 2.359 227 I HA 0.210 nan 4.170 nan 0.000 0.294 227 I C -1.178 174.760 176.117 -0.297 0.000 0.987 227 I CA -1.181 60.057 61.300 -0.104 0.000 1.225 227 I CB 1.740 39.774 38.000 0.056 0.000 1.366 227 I HN 0.281 8.473 8.210 -0.031 0.000 0.466 228 S N 4.305 119.893 115.700 -0.187 0.000 2.545 228 S HA 0.047 nan 4.470 nan 0.000 0.275 228 S C 0.994 175.478 174.600 -0.193 0.000 1.299 228 S CA -0.776 57.307 58.200 -0.195 0.000 1.048 228 S CB 0.830 64.003 63.200 -0.044 0.000 0.938 228 S HN 0.324 8.577 8.310 -0.095 0.000 0.496 229 T N 9.425 123.841 114.554 -0.231 0.000 2.822 229 T HA -0.217 nan 4.350 nan 0.000 0.270 229 T C 0.815 175.623 174.700 0.180 0.000 1.064 229 T CA 3.168 65.287 62.100 0.031 0.000 1.131 229 T CB -0.082 68.873 68.868 0.143 0.000 0.858 229 T HN 0.286 8.566 8.240 -0.329 -0.237 0.483 230 L N 0.249 121.558 121.223 0.142 0.000 3.073 230 L HA 0.245 nan 4.340 nan 0.000 0.242 230 L C -1.645 175.270 176.870 0.076 0.000 1.317 230 L CA -1.780 53.117 54.840 0.095 0.000 1.081 230 L CB -1.061 40.998 42.059 -0.001 0.000 1.456 230 L HN -0.464 7.800 8.230 0.118 0.036 0.525 231 A N 0.290 123.160 122.820 0.085 0.000 2.407 231 A HA 0.098 nan 4.320 nan 0.000 0.248 231 A C -0.006 177.621 177.584 0.072 0.000 1.082 231 A CA -0.048 52.032 52.037 0.072 0.000 0.785 231 A CB 0.451 19.495 19.000 0.072 0.000 1.020 231 A HN -0.544 7.591 8.150 0.106 0.079 0.489 232 S N 0.756 116.493 115.700 0.062 0.000 2.699 232 S HA 0.075 nan 4.470 nan 0.000 0.251 232 S C -1.379 173.252 174.600 0.052 0.000 1.179 232 S CA -0.352 57.879 58.200 0.052 0.000 1.200 232 S CB -0.841 62.383 63.200 0.040 0.000 0.848 232 S HN -0.074 8.555 8.310 0.066 -0.279 0.472 233 C N -1.389 117.947 119.300 0.060 0.000 3.241 233 C HA 0.226 nan 4.460 nan 0.000 0.348 233 C C -1.485 173.547 174.990 0.071 0.000 1.180 233 C CA -1.150 57.901 59.018 0.055 0.000 1.273 233 C CB 3.852 31.619 27.740 0.046 0.000 1.620 233 C HN -0.759 7.423 8.230 0.072 0.091 0.510 234 S N 2.679 118.418 115.700 0.064 0.000 2.603 234 S HA 0.474 nan 4.470 nan 0.000 0.268 234 S C -0.568 174.081 174.600 0.082 0.000 1.317 234 S CA -1.968 56.277 58.200 0.075 0.000 1.012 234 S CB 0.206 63.437 63.200 0.052 0.000 0.926 234 S HN 0.136 8.740 8.310 0.051 -0.263 0.539 235 P HA -0.205 nan 4.420 nan 0.000 0.216 235 P C 0.960 178.289 177.300 0.048 0.000 1.150 235 P CA 2.633 65.795 63.100 0.103 0.000 0.837 235 P CB -0.196 31.529 31.700 0.041 0.000 0.786 236 E N -1.688 118.527 120.200 0.025 0.000 2.012 236 E HA -0.413 nan 4.350 nan 0.000 0.197 236 E C 2.401 179.012 176.600 0.018 0.000 1.007 236 E CA 2.880 59.287 56.400 0.012 0.000 0.816 236 E CB -1.590 28.114 29.700 0.008 0.000 0.762 236 E HN 0.254 8.604 8.360 0.027 0.026 0.451 237 E N -0.195 120.019 120.200 0.024 0.000 2.095 237 E HA -0.399 nan 4.350 nan 0.000 0.212 237 E C 2.868 179.479 176.600 0.019 0.000 1.044 237 E CA 2.689 59.102 56.400 0.022 0.000 0.857 237 E CB -0.188 29.529 29.700 0.028 0.000 0.764 237 E HN -0.651 7.726 8.360 0.028 0.000 0.462 238 I N -1.313 119.274 120.570 0.028 0.000 2.113 238 I HA -0.505 nan 4.170 nan 0.000 0.238 238 I C 2.037 178.162 176.117 0.014 0.000 1.070 238 I CA 3.833 65.147 61.300 0.024 0.000 1.332 238 I CB 0.007 38.032 38.000 0.042 0.000 1.044 238 I HN -0.691 7.542 8.210 0.039 0.000 0.402 239 I N -1.597 118.985 120.570 0.021 0.000 2.194 239 I HA -0.582 nan 4.170 nan 0.000 0.246 239 I C 2.823 178.940 176.117 -0.001 0.000 1.093 239 I CA 4.099 65.404 61.300 0.009 0.000 1.355 239 I CB -0.270 37.737 38.000 0.012 0.000 1.046 239 I HN 0.084 8.314 8.210 0.033 0.000 0.413 240 E N 0.511 120.712 120.200 0.002 0.000 2.204 240 E HA -0.242 nan 4.350 nan 0.000 0.194 240 E C 0.684 177.282 176.600 -0.003 0.000 0.989 240 E CA 2.652 59.051 56.400 -0.001 0.000 0.824 240 E CB -0.159 29.542 29.700 0.002 0.000 0.756 240 E HN -0.121 8.235 8.360 0.007 0.008 0.477 241 A N -1.826 120.992 122.820 -0.003 0.000 2.067 241 A HA -0.088 nan 4.320 nan 0.000 0.217 241 A C 0.153 177.729 177.584 -0.014 0.000 1.156 241 A CA 0.130 52.164 52.037 -0.006 0.000 0.683 241 A CB -0.009 18.989 19.000 -0.004 0.000 0.808 241 A HN -0.530 7.461 8.150 0.001 0.159 0.455 242 A N 0.020 122.828 122.820 -0.019 0.000 2.561 242 A HA -0.019 nan 4.320 nan 0.000 0.251 242 A C -1.536 176.033 177.584 -0.027 0.000 1.062 242 A CA -1.057 50.962 52.037 -0.030 0.000 0.761 242 A CB -0.621 18.357 19.000 -0.036 0.000 0.986 242 A HN -0.645 7.337 8.150 -0.015 0.158 0.510 243 P HA -0.104 nan 4.420 nan 0.000 0.231 243 P C -1.708 175.578 177.300 -0.024 0.000 1.158 243 P CA 0.779 63.865 63.100 -0.023 0.000 0.763 243 P CB 0.448 32.135 31.700 -0.022 0.000 0.805 244 S N -4.098 111.583 115.700 -0.030 0.000 2.564 244 S HA 0.112 nan 4.470 nan 0.000 0.274 244 S C -0.024 174.560 174.600 -0.027 0.000 1.124 244 S CA -0.882 57.301 58.200 -0.028 0.000 0.869 244 S CB 2.980 66.161 63.200 -0.032 0.000 1.105 244 S HN -0.683 7.566 8.310 -0.035 0.040 0.472 245 D N 3.754 124.141 120.400 -0.021 0.000 2.178 245 D HA -0.173 nan 4.640 nan 0.000 0.202 245 D C 0.482 176.769 176.300 -0.022 0.000 0.974 245 D CA 2.545 56.534 54.000 -0.018 0.000 0.841 245 D CB 0.141 40.933 40.800 -0.012 0.000 0.953 245 D HN 0.521 8.881 8.370 -0.017 0.000 0.478 246 K N -3.756 116.629 120.400 -0.025 0.000 2.432 246 K HA -0.145 nan 4.320 nan 0.000 0.196 246 K C -0.304 176.266 176.600 -0.050 0.000 1.038 246 K CA 0.085 56.356 56.287 -0.027 0.000 0.986 246 K CB 0.158 32.646 32.500 -0.020 0.000 0.782 246 K HN -0.240 7.983 8.250 -0.022 0.014 0.485 247 Q N -1.240 118.521 119.800 -0.066 0.000 2.288 247 Q HA -0.098 nan 4.340 nan 0.000 0.254 247 Q C -0.994 174.931 176.000 -0.125 0.000 0.932 247 Q CA -0.258 55.482 55.803 -0.106 0.000 0.902 247 Q CB 0.954 29.628 28.738 -0.107 0.000 1.203 247 Q HN -0.757 7.479 8.270 -0.056 0.000 0.415 248 I N 0.336 120.790 120.570 -0.194 0.000 2.498 248 I HA 0.265 nan 4.170 nan 0.000 0.301 248 I C -2.089 173.821 176.117 -0.345 0.000 0.984 248 I CA -1.572 59.593 61.300 -0.225 0.000 1.204 248 I CB 2.419 40.281 38.000 -0.231 0.000 1.362 248 I HN 0.065 8.133 8.210 -0.237 0.000 0.471 249 Q N 4.239 123.894 119.800 -0.242 0.000 2.372 249 Q HA 0.655 nan 4.340 nan 0.000 0.273 249 Q C -1.447 174.576 176.000 0.038 0.000 1.078 249 Q CA -1.310 54.391 55.803 -0.169 0.000 0.806 249 Q CB 3.963 32.676 28.738 -0.042 0.000 1.332 249 Q HN 0.108 8.298 8.270 -0.132 0.000 0.435 250 W N -0.366 120.947 121.300 0.020 0.000 2.902 250 W HA 0.744 nan 4.660 nan 0.000 0.346 250 W C -1.451 175.147 176.519 0.132 0.000 1.139 250 W CA -1.854 55.545 57.345 0.091 0.000 1.139 250 W CB 3.806 33.341 29.460 0.125 0.000 1.439 250 W HN 0.977 9.248 8.180 0.152 0.000 0.558 251 Y N 0.990 121.448 120.300 0.262 0.000 2.376 251 Y HA 0.319 nan 4.550 nan 0.000 0.340 251 Y C -2.455 173.518 175.900 0.122 0.000 0.965 251 Y CA -1.754 56.425 58.100 0.132 0.000 1.078 251 Y CB 3.395 41.905 38.460 0.083 0.000 1.193 251 Y HN 0.593 9.150 8.280 0.461 0.000 0.452 252 Q N 6.221 125.791 119.800 -0.384 0.000 2.245 252 Q HA 0.713 nan 4.340 nan 0.000 0.256 252 Q C -2.204 173.498 176.000 -0.497 0.000 0.942 252 Q CA -2.048 53.580 55.803 -0.292 0.000 0.896 252 Q CB 2.277 30.814 28.738 -0.334 0.000 1.272 252 Q HN 0.918 8.780 8.270 -0.680 0.000 0.442 253 L N 2.932 124.015 121.223 -0.232 0.000 2.356 253 L HA 0.412 nan 4.340 nan 0.000 0.277 253 L C -2.378 174.410 176.870 -0.136 0.000 0.996 253 L CA -0.568 54.233 54.840 -0.065 0.000 0.822 253 L CB 3.414 45.542 42.059 0.115 0.000 1.256 253 L HN 0.772 8.796 8.230 -0.178 0.098 0.413 254 Y N 3.753 124.100 120.300 0.078 0.000 2.299 254 Y HA 0.036 nan 4.550 nan 0.000 0.326 254 Y C -0.681 175.270 175.900 0.084 0.000 1.164 254 Y CA -0.048 58.100 58.100 0.079 0.000 1.234 254 Y CB 0.825 39.349 38.460 0.106 0.000 1.219 254 Y HN -0.107 8.278 8.280 0.176 0.000 0.497 255 V N -0.118 119.912 119.914 0.192 0.000 2.498 255 V HA 0.197 nan 4.120 nan 0.000 0.279 255 V C -1.363 174.811 176.094 0.134 0.000 1.048 255 V CA -2.454 59.926 62.300 0.133 0.000 0.967 255 V CB 0.362 32.230 31.823 0.074 0.000 0.988 255 V HN 0.239 8.536 8.190 0.180 0.000 0.473 256 N N 6.226 124.992 118.700 0.111 0.000 2.482 256 N HA 0.130 nan 4.740 nan 0.000 0.260 256 N C 1.626 177.159 175.510 0.038 0.000 1.236 256 N CA 0.698 53.791 53.050 0.071 0.000 0.938 256 N CB 2.273 40.772 38.487 0.020 0.000 1.128 256 N HN 0.179 8.622 8.380 0.105 0.000 0.448 257 S N 2.905 118.618 115.700 0.021 0.000 2.383 257 S HA -0.293 nan 4.470 nan 0.000 0.227 257 S C 0.442 175.041 174.600 -0.002 0.000 1.026 257 S CA 3.454 61.660 58.200 0.010 0.000 0.981 257 S CB 0.111 63.313 63.200 0.004 0.000 0.818 257 S HN -0.120 8.203 8.310 0.022 0.000 0.472 258 D N 1.969 122.358 120.400 -0.017 0.000 2.508 258 D HA 0.081 nan 4.640 nan 0.000 0.224 258 D C 0.063 176.357 176.300 -0.009 0.000 1.171 258 D CA -1.385 52.603 54.000 -0.020 0.000 1.006 258 D CB -0.448 40.328 40.800 -0.039 0.000 1.073 258 D HN -0.151 8.201 8.370 -0.031 0.000 0.513 259 R N 3.556 124.057 120.500 0.002 0.000 2.154 259 R HA -0.447 nan 4.340 nan 0.000 0.248 259 R C 1.658 177.962 176.300 0.007 0.000 1.155 259 R CA 3.204 59.310 56.100 0.010 0.000 0.979 259 R CB -0.366 29.941 30.300 0.011 0.000 0.869 259 R HN -0.003 8.231 8.270 0.002 0.037 0.452 260 K N -0.560 119.839 120.400 -0.000 0.000 2.147 260 K HA -0.209 nan 4.320 nan 0.000 0.205 260 K C 2.167 178.765 176.600 -0.004 0.000 1.049 260 K CA 2.810 59.096 56.287 -0.003 0.000 0.936 260 K CB -0.895 31.601 32.500 -0.007 0.000 0.722 260 K HN -0.439 7.785 8.250 -0.004 0.024 0.446 261 I N -0.958 119.607 120.570 -0.009 0.000 2.163 261 I HA -0.565 nan 4.170 nan 0.000 0.243 261 I C 1.896 178.020 176.117 0.012 0.000 1.085 261 I CA 4.089 65.383 61.300 -0.010 0.000 1.347 261 I CB -0.696 37.286 38.000 -0.030 0.000 1.044 261 I HN 0.173 8.268 8.210 -0.013 0.107 0.408 262 T N 2.632 117.202 114.554 0.025 0.000 2.674 262 T HA -0.372 nan 4.350 nan 0.000 0.265 262 T C 1.726 176.442 174.700 0.027 0.000 1.039 262 T CA 5.529 67.657 62.100 0.047 0.000 1.150 262 T CB -0.734 68.167 68.868 0.055 0.000 0.864 262 T HN -0.491 7.692 8.240 0.019 0.068 0.427 263 D N 0.975 121.384 120.400 0.015 0.000 2.221 263 D HA -0.276 nan 4.640 nan 0.000 0.204 263 D C 2.222 178.519 176.300 -0.004 0.000 0.982 263 D CA 3.981 57.984 54.000 0.006 0.000 0.857 263 D CB -0.557 40.246 40.800 0.004 0.000 0.934 263 D HN 0.138 8.332 8.370 0.013 0.184 0.475 264 D N 0.660 121.057 120.400 -0.005 0.000 2.075 264 D HA -0.162 nan 4.640 nan 0.000 0.196 264 D C 2.321 178.608 176.300 -0.022 0.000 0.985 264 D CA 2.978 56.970 54.000 -0.013 0.000 0.834 264 D CB -0.147 40.646 40.800 -0.012 0.000 0.987 264 D HN 0.124 8.470 8.370 -0.001 0.023 0.452 265 L N 0.143 121.358 121.223 -0.013 0.000 2.051 265 L HA -0.393 nan 4.340 nan 0.000 0.214 265 L C 2.024 178.845 176.870 -0.082 0.000 1.076 265 L CA 3.226 58.047 54.840 -0.032 0.000 0.758 265 L CB -0.119 41.961 42.059 0.035 0.000 0.890 265 L HN 0.035 8.157 8.230 0.003 0.109 0.433 266 V N -1.056 118.836 119.914 -0.037 0.000 2.223 266 V HA -0.580 nan 4.120 nan 0.000 0.244 266 V C 2.004 178.059 176.094 -0.065 0.000 1.045 266 V CA 5.061 67.334 62.300 -0.045 0.000 1.000 266 V CB -0.728 31.092 31.823 -0.006 0.000 0.635 266 V HN 0.425 8.596 8.190 -0.007 0.015 0.445 267 K N -2.068 118.306 120.400 -0.042 0.000 2.211 267 K HA -0.383 nan 4.320 nan 0.000 0.204 267 K C 2.362 178.930 176.600 -0.053 0.000 1.047 267 K CA 3.224 59.488 56.287 -0.039 0.000 0.935 267 K CB -0.384 32.100 32.500 -0.026 0.000 0.728 267 K HN -0.423 7.809 8.250 -0.030 0.000 0.452 268 N N -0.867 117.791 118.700 -0.070 0.000 2.333 268 N HA -0.088 nan 4.740 nan 0.000 0.178 268 N C 1.980 177.421 175.510 -0.114 0.000 1.018 268 N CA 2.937 55.941 53.050 -0.077 0.000 0.882 268 N CB 0.932 39.376 38.487 -0.072 0.000 0.984 268 N HN -0.250 8.065 8.380 -0.070 0.023 0.434 269 V N -2.476 117.327 119.914 -0.186 0.000 2.453 269 V HA -0.236 nan 4.120 nan 0.000 0.247 269 V C 1.519 177.536 176.094 -0.127 0.000 1.048 269 V CA 3.008 65.160 62.300 -0.247 0.000 1.049 269 V CB -1.048 30.455 31.823 -0.533 0.000 0.672 269 V HN -0.088 7.897 8.190 -0.196 0.087 0.457 270 E N 0.535 120.680 120.200 -0.090 0.000 2.085 270 E HA -0.419 nan 4.350 nan 0.000 0.194 270 E C 2.392 178.971 176.600 -0.034 0.000 0.994 270 E CA 3.215 59.589 56.400 -0.044 0.000 0.801 270 E CB -0.192 29.488 29.700 -0.034 0.000 0.743 270 E HN 0.102 8.400 8.360 -0.103 0.000 0.453 271 K N 0.883 121.259 120.400 -0.041 0.000 2.020 271 K HA -0.241 nan 4.320 nan 0.000 0.212 271 K C 1.678 178.260 176.600 -0.029 0.000 1.050 271 K CA 2.377 58.646 56.287 -0.031 0.000 0.929 271 K CB -0.215 32.264 32.500 -0.034 0.000 0.714 271 K HN -0.742 7.478 8.250 -0.051 0.000 0.443 272 L N -3.811 117.388 121.223 -0.041 0.000 2.749 272 L HA -0.148 nan 4.340 nan 0.000 0.245 272 L C 0.154 177.014 176.870 -0.016 0.000 1.156 272 L CA 0.137 54.958 54.840 -0.031 0.000 0.890 272 L CB -0.379 41.653 42.059 -0.046 0.000 1.036 272 L HN -0.504 7.607 8.230 -0.060 0.083 0.441 273 G N -2.996 105.797 108.800 -0.010 0.000 2.155 273 G HA2 -0.279 nan 3.960 nan 0.000 0.257 273 G HA3 -0.279 nan 3.960 nan 0.000 0.257 273 G C 0.213 175.128 174.900 0.026 0.000 0.983 273 G CA -0.073 45.031 45.100 0.006 0.000 0.676 273 G HN -0.410 7.652 8.290 -0.017 0.218 0.528 274 V N -6.417 113.518 119.914 0.035 0.000 2.901 274 V HA -0.110 nan 4.120 nan 0.000 0.307 274 V C 0.170 176.337 176.094 0.122 0.000 1.084 274 V CA -0.044 62.312 62.300 0.092 0.000 1.184 274 V CB -0.190 31.707 31.823 0.124 0.000 0.941 274 V HN -0.830 7.315 8.190 0.008 0.050 0.493 275 K N 4.009 124.534 120.400 0.209 0.000 2.393 275 K HA -0.056 nan 4.320 nan 0.000 0.193 275 K C -1.231 175.501 176.600 0.219 0.000 1.026 275 K CA 0.086 56.506 56.287 0.222 0.000 1.064 275 K CB 0.683 33.327 32.500 0.240 0.000 0.833 275 K HN 0.801 9.100 8.250 0.262 0.108 0.521 276 A N -3.717 119.222 122.820 0.199 0.000 2.522 276 A HA 0.266 nan 4.320 nan 0.000 0.291 276 A C -2.600 174.953 177.584 -0.050 0.000 1.039 276 A CA -0.199 51.806 52.037 -0.054 0.000 0.643 276 A CB 2.374 21.150 19.000 -0.374 0.000 1.310 276 A HN -0.697 7.570 8.150 0.273 0.046 0.436 277 L N -2.252 118.840 121.223 -0.219 0.000 2.362 277 L HA 0.820 nan 4.340 nan 0.000 0.275 277 L C -1.786 174.875 176.870 -0.350 0.000 0.998 277 L CA -1.227 53.546 54.840 -0.112 0.000 0.820 277 L CB 3.333 45.363 42.059 -0.048 0.000 1.270 277 L HN 0.533 8.555 8.230 -0.346 0.000 0.415 278 F N 2.967 122.792 119.950 -0.209 0.000 2.402 278 F HA 0.390 nan 4.527 nan 0.000 0.355 278 F C -1.125 174.552 175.800 -0.205 0.000 1.123 278 F CA -1.053 56.788 58.000 -0.265 0.000 1.021 278 F CB 1.689 40.477 39.000 -0.352 0.000 1.160 278 F HN 0.927 9.215 8.300 0.142 0.097 0.451 279 V N 6.500 126.388 119.914 -0.043 0.000 2.334 279 V HA 0.287 nan 4.120 nan 0.000 0.267 279 V C -0.200 175.851 176.094 -0.072 0.000 1.040 279 V CA -0.915 61.349 62.300 -0.059 0.000 0.866 279 V CB -0.885 30.907 31.823 -0.051 0.000 1.019 279 V HN 0.488 8.631 8.190 -0.078 0.000 0.468 280 T N 10.312 124.776 114.554 -0.150 0.000 2.834 280 T HA 0.145 nan 4.350 nan 0.000 0.298 280 T C 0.496 175.206 174.700 0.016 0.000 0.966 280 T CA 1.431 63.464 62.100 -0.112 0.000 1.141 280 T CB -0.251 68.424 68.868 -0.322 0.000 0.905 280 T HN 0.039 8.127 8.240 -0.253 0.000 0.535 281 V N 0.488 120.423 119.914 0.035 0.000 3.166 281 V HA 0.453 nan 4.120 nan 0.000 0.332 281 V C -0.660 175.457 176.094 0.038 0.000 1.434 281 V CA 0.033 62.344 62.300 0.018 0.000 1.121 281 V CB 0.626 32.398 31.823 -0.085 0.000 1.062 281 V HN 0.847 9.054 8.190 0.028 0.000 0.489 282 D N -0.430 120.034 120.400 0.107 0.000 2.368 282 D HA -0.015 nan 4.640 nan 0.000 0.218 282 D C -0.884 175.460 176.300 0.073 0.000 1.112 282 D CA -0.633 53.427 54.000 0.100 0.000 0.834 282 D CB -0.503 40.389 40.800 0.153 0.000 0.953 282 D HN 0.177 8.644 8.370 0.161 0.000 0.505 283 A N -1.377 121.496 122.820 0.089 0.000 3.176 283 A HA 0.335 nan 4.320 nan 0.000 0.265 283 A C -1.732 175.854 177.584 0.003 0.000 0.936 283 A CA -2.446 49.597 52.037 0.012 0.000 1.033 283 A CB -0.121 18.893 19.000 0.023 0.000 1.158 283 A HN -0.475 7.672 8.150 0.130 0.082 0.485 284 P HA -0.124 nan 4.420 nan 0.000 0.223 284 P C -0.996 176.284 177.300 -0.034 0.000 1.144 284 P CA 0.986 64.080 63.100 -0.011 0.000 0.783 284 P CB 0.656 32.351 31.700 -0.008 0.000 0.771 285 S N -3.859 111.811 115.700 -0.050 0.000 2.603 285 S HA 0.136 nan 4.470 nan 0.000 0.274 285 S C -1.087 173.461 174.600 -0.087 0.000 1.168 285 S CA -0.932 57.231 58.200 -0.062 0.000 0.963 285 S CB 2.848 66.024 63.200 -0.041 0.000 1.078 285 S HN -0.542 7.703 8.310 -0.049 0.036 0.477 286 L N 4.038 125.200 121.223 -0.103 0.000 2.780 286 L HA -0.149 nan 4.340 nan 0.000 0.275 286 L C -0.595 176.223 176.870 -0.087 0.000 1.153 286 L CA 0.439 55.212 54.840 -0.111 0.000 0.993 286 L CB -0.697 41.307 42.059 -0.092 0.000 1.319 286 L HN 0.272 8.445 8.230 -0.096 0.000 0.479 287 G N 5.163 113.900 108.800 -0.104 0.000 2.568 287 G HA2 -0.235 nan 3.960 nan 0.000 0.231 287 G HA3 -0.235 nan 3.960 nan 0.000 0.231 287 G C -1.664 173.199 174.900 -0.061 0.000 1.261 287 G CA -0.410 44.644 45.100 -0.078 0.000 0.855 287 G HN -0.085 8.262 8.290 -0.141 -0.143 0.576 288 Q N 1.722 121.495 119.800 -0.044 0.000 2.348 288 Q HA -0.151 nan 4.340 nan 0.000 0.251 288 Q C -0.694 175.280 176.000 -0.043 0.000 1.113 288 Q CA -0.471 55.312 55.803 -0.034 0.000 0.902 288 Q CB 0.060 28.786 28.738 -0.021 0.000 1.333 288 Q HN 0.407 8.654 8.270 -0.038 0.000 0.457 289 R N 7.817 128.290 120.500 -0.045 0.000 2.522 289 R HA 0.184 nan 4.340 nan 0.000 0.290 289 R C 0.309 176.583 176.300 -0.043 0.000 1.216 289 R CA -1.108 54.955 56.100 -0.062 0.000 1.250 289 R CB -0.333 29.922 30.300 -0.075 0.000 1.143 289 R HN 0.218 8.467 8.270 -0.036 0.000 0.553 290 E N 4.336 124.514 120.200 -0.037 0.000 2.333 290 E HA -0.418 nan 4.350 nan 0.000 0.200 290 E C 1.201 177.789 176.600 -0.020 0.000 1.010 290 E CA 3.356 59.743 56.400 -0.022 0.000 0.841 290 E CB -0.513 29.178 29.700 -0.015 0.000 0.757 290 E HN -0.082 8.252 8.360 -0.042 0.000 0.508 291 K N -1.189 119.189 120.400 -0.037 0.000 2.057 291 K HA -0.310 nan 4.320 nan 0.000 0.206 291 K C 1.542 178.136 176.600 -0.010 0.000 1.050 291 K CA 3.126 59.395 56.287 -0.030 0.000 0.935 291 K CB -0.266 32.191 32.500 -0.073 0.000 0.715 291 K HN 0.051 8.207 8.250 -0.056 0.060 0.439 292 D N -1.356 119.039 120.400 -0.008 0.000 2.077 292 D HA -0.156 nan 4.640 nan 0.000 0.196 292 D C 2.009 178.313 176.300 0.007 0.000 0.986 292 D CA 2.837 56.846 54.000 0.015 0.000 0.829 292 D CB -0.089 40.735 40.800 0.041 0.000 0.983 292 D HN -0.454 7.903 8.370 -0.022 0.000 0.453 293 M N -0.411 119.190 119.600 0.001 0.000 2.308 293 M HA -0.598 nan 4.480 nan 0.000 0.257 293 M C 2.515 178.816 176.300 0.001 0.000 1.070 293 M CA 3.884 59.183 55.300 -0.002 0.000 1.080 293 M CB -0.481 32.116 32.600 -0.005 0.000 1.274 293 M HN -0.710 7.579 8.290 -0.001 0.000 0.434 294 K N -2.521 117.881 120.400 0.003 0.000 2.242 294 K HA -0.297 nan 4.320 nan 0.000 0.206 294 K C 1.765 178.371 176.600 0.011 0.000 1.045 294 K CA 2.768 59.059 56.287 0.008 0.000 0.930 294 K CB -0.188 32.319 32.500 0.012 0.000 0.726 294 K HN -0.148 7.991 8.250 0.001 0.111 0.462 295 L N -3.518 117.712 121.223 0.012 0.000 2.388 295 L HA 0.090 nan 4.340 nan 0.000 0.209 295 L C 0.605 177.478 176.870 0.005 0.000 1.061 295 L CA 0.591 55.439 54.840 0.013 0.000 0.834 295 L CB 1.261 43.334 42.059 0.023 0.000 1.029 295 L HN -0.147 7.893 8.230 0.010 0.196 0.473 317 G N -0.063 108.734 108.800 -0.004 0.000 3.364 317 G HA2 0.306 nan 3.960 nan 0.000 0.191 317 G HA3 0.306 nan 3.960 nan 0.000 0.191 317 G C -1.340 173.557 174.900 -0.005 0.000 1.352 317 G CA 0.456 45.554 45.100 -0.004 0.000 0.758 317 G HN 0.365 8.652 8.290 -0.004 0.000 0.730 318 A N 1.473 124.290 122.820 -0.004 0.000 2.990 318 A HA 0.207 nan 4.320 nan 0.000 0.282 318 A C -0.927 176.653 177.584 -0.007 0.000 1.688 318 A CA 0.667 52.700 52.037 -0.006 0.000 1.391 318 A CB -1.647 17.351 19.000 -0.004 0.000 1.112 318 A HN 0.252 8.400 8.150 -0.003 0.000 0.588 319 S N 1.230 116.925 115.700 -0.009 0.000 2.208 319 S HA 0.022 nan 4.470 nan 0.000 0.234 319 S C 1.216 175.810 174.600 -0.011 0.000 0.907 319 S CA 0.235 58.430 58.200 -0.009 0.000 1.616 319 S CB 0.944 64.141 63.200 -0.006 0.000 1.218 319 S HN 0.399 8.660 8.310 -0.010 0.044 0.588 320 R N 5.211 125.704 120.500 -0.012 0.000 2.120 320 R HA -0.251 nan 4.340 nan 0.000 0.234 320 R C 0.073 176.360 176.300 -0.022 0.000 1.123 320 R CA 2.685 58.776 56.100 -0.014 0.000 0.975 320 R CB -0.447 29.844 30.300 -0.014 0.000 0.866 320 R HN -0.110 8.153 8.270 -0.011 0.000 0.446 321 A N -3.579 119.227 122.820 -0.024 0.000 2.168 321 A HA -0.051 nan 4.320 nan 0.000 0.215 321 A C -0.575 176.985 177.584 -0.039 0.000 1.152 321 A CA 0.522 52.538 52.037 -0.035 0.000 0.716 321 A CB -0.000 18.980 19.000 -0.032 0.000 0.794 321 A HN 0.204 8.330 8.150 -0.020 0.012 0.465 322 L N -3.239 117.968 121.223 -0.027 0.000 2.399 322 L HA 0.120 nan 4.340 nan 0.000 0.266 322 L C -0.383 176.476 176.870 -0.018 0.000 1.114 322 L CA -0.262 54.564 54.840 -0.024 0.000 0.804 322 L CB 0.769 42.820 42.059 -0.013 0.000 1.146 322 L HN -0.639 7.369 8.230 -0.021 0.210 0.451 323 S N 0.434 116.127 115.700 -0.012 0.000 2.651 323 S HA 0.163 nan 4.470 nan 0.000 0.279 323 S C -0.603 174.026 174.600 0.048 0.000 1.148 323 S CA -1.256 56.955 58.200 0.017 0.000 0.837 323 S CB 1.764 64.954 63.200 -0.017 0.000 1.138 323 S HN 0.197 8.500 8.310 -0.013 0.000 0.478 324 K N 1.417 121.876 120.400 0.098 0.000 2.242 324 K HA 0.117 nan 4.320 nan 0.000 0.200 324 K C 1.593 178.244 176.600 0.086 0.000 1.050 324 K CA 0.949 57.273 56.287 0.061 0.000 0.981 324 K CB 0.266 32.776 32.500 0.016 0.000 0.795 324 K HN 0.554 8.892 8.250 0.146 0.000 0.477 325 F N -0.404 119.518 119.950 -0.047 0.000 2.075 325 F HA -0.325 nan 4.527 nan 0.000 0.297 325 F C 0.811 176.587 175.800 -0.041 0.000 1.113 325 F CA 3.343 61.320 58.000 -0.038 0.000 1.218 325 F CB 0.145 39.101 39.000 -0.073 0.000 0.984 325 F HN -0.947 7.617 8.300 0.441 0.000 0.472 326 I N -2.962 117.665 120.570 0.097 0.000 2.365 326 I HA -0.143 nan 4.170 nan 0.000 0.291 326 I C -1.631 174.512 176.117 0.043 0.000 1.004 326 I CA -0.884 60.427 61.300 0.017 0.000 1.311 326 I CB 0.612 38.496 38.000 -0.193 0.000 1.401 326 I HN -0.810 7.448 8.210 0.079 0.000 0.491 327 D N 7.277 127.714 120.400 0.062 0.000 2.274 327 D HA 0.319 nan 4.640 nan 0.000 0.239 327 D C -0.659 175.655 176.300 0.023 0.000 1.104 327 D CA -3.151 50.871 54.000 0.037 0.000 0.840 327 D CB 2.374 43.198 40.800 0.039 0.000 1.100 327 D HN -0.376 8.051 8.370 0.095 0.000 0.477 328 P HA -0.015 nan 4.420 nan 0.000 0.228 328 P C -0.581 176.718 177.300 -0.001 0.000 1.151 328 P CA 1.360 64.461 63.100 0.002 0.000 0.770 328 P CB 0.082 31.781 31.700 -0.001 0.000 0.786 329 S N -2.756 112.946 115.700 0.003 0.000 2.558 329 S HA -0.080 nan 4.470 nan 0.000 0.217 329 S C -0.071 174.524 174.600 -0.008 0.000 0.975 329 S CA 1.052 59.252 58.200 0.000 0.000 0.912 329 S CB 0.536 63.740 63.200 0.006 0.000 0.776 329 S HN -0.587 7.993 8.310 0.007 -0.265 0.526 330 L N 1.666 122.879 121.223 -0.017 0.000 2.543 330 L HA -0.181 nan 4.340 nan 0.000 0.285 330 L C -0.455 176.367 176.870 -0.081 0.000 1.236 330 L CA 1.412 56.228 54.840 -0.041 0.000 0.871 330 L CB 0.384 42.415 42.059 -0.047 0.000 1.121 330 L HN -0.959 7.200 8.230 -0.009 0.065 0.501 331 T N 3.093 117.593 114.554 -0.090 0.000 2.853 331 T HA 0.110 nan 4.350 nan 0.000 0.311 331 T C 0.169 174.827 174.700 -0.070 0.000 1.307 331 T CA -0.540 61.506 62.100 -0.089 0.000 1.019 331 T CB 1.638 70.509 68.868 0.005 0.000 1.264 331 T HN -0.235 7.962 8.240 -0.071 0.000 0.497 332 W N 3.081 124.392 121.300 0.017 0.000 2.305 332 W HA -0.384 nan 4.660 nan 0.000 0.308 332 W C 1.565 178.089 176.519 0.009 0.000 1.226 332 W CA 3.465 60.817 57.345 0.012 0.000 1.253 332 W CB -0.171 29.295 29.460 0.011 0.000 1.146 332 W HN 0.497 8.640 8.180 -0.062 0.000 0.507 333 K N -2.784 117.749 120.400 0.221 0.000 2.074 333 K HA -0.409 nan 4.320 nan 0.000 0.209 333 K C 1.863 178.517 176.600 0.089 0.000 1.048 333 K CA 3.535 59.899 56.287 0.128 0.000 0.926 333 K CB -0.811 31.742 32.500 0.089 0.000 0.713 333 K HN 0.012 8.393 8.250 0.226 0.004 0.444 334 D N -1.031 119.408 120.400 0.064 0.000 2.178 334 D HA -0.238 nan 4.640 nan 0.000 0.201 334 D C 2.366 178.692 176.300 0.043 0.000 0.980 334 D CA 3.859 57.883 54.000 0.039 0.000 0.842 334 D CB -0.296 40.514 40.800 0.015 0.000 0.948 334 D HN -0.290 8.025 8.370 0.060 0.091 0.472 335 I N -0.362 120.246 120.570 0.064 0.000 2.193 335 I HA -0.401 nan 4.170 nan 0.000 0.240 335 I C 1.593 177.760 176.117 0.082 0.000 1.084 335 I CA 2.204 63.545 61.300 0.070 0.000 1.365 335 I CB -0.698 37.371 38.000 0.115 0.000 1.064 335 I HN -0.292 7.827 8.210 0.086 0.142 0.410 336 E N 0.175 120.442 120.200 0.111 0.000 2.068 336 E HA -0.508 nan 4.350 nan 0.000 0.207 336 E C 2.671 179.300 176.600 0.048 0.000 1.032 336 E CA 3.618 60.064 56.400 0.078 0.000 0.839 336 E CB -0.370 29.376 29.700 0.077 0.000 0.758 336 E HN 0.103 8.557 8.360 0.157 0.000 0.457 337 E N -1.962 118.264 120.200 0.044 0.000 2.058 337 E HA -0.294 nan 4.350 nan 0.000 0.194 337 E C 2.573 179.187 176.600 0.023 0.000 0.997 337 E CA 2.342 58.760 56.400 0.030 0.000 0.801 337 E CB -0.390 29.326 29.700 0.028 0.000 0.746 337 E HN -0.120 8.272 8.360 0.053 0.000 0.450 338 L N -1.742 119.495 121.223 0.024 0.000 2.191 338 L HA -0.255 nan 4.340 nan 0.000 0.212 338 L C 2.155 179.030 176.870 0.009 0.000 1.103 338 L CA 2.451 57.300 54.840 0.015 0.000 0.769 338 L CB 0.135 42.202 42.059 0.014 0.000 0.908 338 L HN -0.174 7.987 8.230 0.031 0.088 0.438 339 K N 0.370 120.777 120.400 0.013 0.000 1.991 339 K HA -0.386 nan 4.320 nan 0.000 0.212 339 K C 1.847 178.449 176.600 0.003 0.000 1.049 339 K CA 3.789 60.080 56.287 0.006 0.000 0.932 339 K CB -0.135 32.372 32.500 0.012 0.000 0.717 339 K HN 0.059 8.209 8.250 0.024 0.115 0.441 340 K N -3.746 116.659 120.400 0.008 0.000 2.664 340 K HA -0.159 nan 4.320 nan 0.000 0.193 340 K C 0.476 177.078 176.600 0.004 0.000 1.028 340 K CA 1.899 58.190 56.287 0.006 0.000 1.005 340 K CB -0.736 31.770 32.500 0.009 0.000 0.815 340 K HN -0.561 7.625 8.250 0.014 0.073 0.496 341 K N -2.397 118.005 120.400 0.002 0.000 2.554 341 K HA 0.143 nan 4.320 nan 0.000 0.211 341 K C -1.817 174.782 176.600 -0.003 0.000 1.226 341 K CA -0.460 55.828 56.287 0.001 0.000 1.025 341 K CB 2.373 34.876 32.500 0.004 0.000 1.021 341 K HN -0.312 7.752 8.250 0.002 0.187 0.600 342 T N -1.814 112.736 114.554 -0.005 0.000 2.821 342 T HA 0.314 nan 4.350 nan 0.000 0.306 342 T C -1.677 173.017 174.700 -0.011 0.000 1.313 342 T CA -0.500 61.595 62.100 -0.009 0.000 1.012 342 T CB 2.434 71.295 68.868 -0.012 0.000 1.298 342 T HN -0.369 7.868 8.240 -0.005 0.000 0.502 343 K N 3.121 123.514 120.400 -0.012 0.000 2.370 343 K HA 0.195 nan 4.320 nan 0.000 0.194 343 K C -0.319 176.273 176.600 -0.014 0.000 1.070 343 K CA -0.509 55.771 56.287 -0.010 0.000 0.998 343 K CB 1.099 33.595 32.500 -0.006 0.000 0.911 343 K HN 0.194 8.604 8.250 -0.012 -0.167 0.533 344 L N 3.497 124.709 121.223 -0.018 0.000 2.483 344 L HA 0.014 nan 4.340 nan 0.000 0.275 344 L C -1.286 175.550 176.870 -0.057 0.000 1.220 344 L CA -1.355 53.470 54.840 -0.025 0.000 0.833 344 L CB -0.473 41.574 42.059 -0.019 0.000 1.102 344 L HN -0.755 7.465 8.230 -0.017 0.000 0.490 345 P HA 0.153 nan 4.420 nan 0.000 0.279 345 P C -1.896 175.268 177.300 -0.226 0.000 1.239 345 P CA -0.617 62.408 63.100 -0.126 0.000 0.789 345 P CB 0.882 32.516 31.700 -0.110 0.000 0.933 346 I N 1.662 122.104 120.570 -0.213 0.000 2.493 346 I HA 0.597 nan 4.170 nan 0.000 0.298 346 I C -1.401 174.512 176.117 -0.339 0.000 0.998 346 I CA -1.055 60.086 61.300 -0.264 0.000 1.137 346 I CB 3.002 40.922 38.000 -0.133 0.000 1.310 346 I HN -0.448 7.668 8.210 -0.156 0.000 0.445 347 V N 5.808 125.408 119.914 -0.523 0.000 2.482 347 V HA 0.455 nan 4.120 nan 0.000 0.295 347 V C -0.768 175.160 176.094 -0.276 0.000 1.026 347 V CA -1.430 60.556 62.300 -0.523 0.000 0.856 347 V CB 1.735 32.834 31.823 -1.208 0.000 1.001 347 V HN 0.913 8.764 8.190 -0.566 0.000 0.424 348 I N 8.338 128.855 120.570 -0.088 0.000 2.587 348 I HA -0.071 nan 4.170 nan 0.000 0.284 348 I C -1.466 174.670 176.117 0.032 0.000 1.134 348 I CA 0.963 62.251 61.300 -0.021 0.000 1.410 348 I CB 0.467 38.488 38.000 0.035 0.000 1.392 348 I HN -0.021 8.159 8.210 -0.050 0.000 0.545 349 K N 8.776 129.199 120.400 0.037 0.000 2.293 349 K HA 0.379 nan 4.320 nan 0.000 0.267 349 K C -0.603 176.023 176.600 0.043 0.000 1.010 349 K CA -1.108 55.220 56.287 0.067 0.000 0.875 349 K CB 1.397 33.929 32.500 0.054 0.000 1.106 349 K HN 0.522 8.674 8.250 0.002 0.099 0.450 350 G N 5.727 114.567 108.800 0.066 0.000 2.174 350 G HA2 -0.276 nan 3.960 nan 0.000 0.140 350 G HA3 -0.276 nan 3.960 nan 0.000 0.140 350 G C -1.339 173.605 174.900 0.074 0.000 1.031 350 G CA -0.479 44.666 45.100 0.074 0.000 0.728 350 G HN 0.223 8.564 8.290 0.086 0.000 0.496 351 V N -0.236 119.731 119.914 0.088 0.000 2.740 351 V HA -0.102 nan 4.120 nan 0.000 0.303 351 V C -0.035 176.112 176.094 0.090 0.000 1.054 351 V CA 0.927 63.287 62.300 0.100 0.000 1.106 351 V CB 0.433 32.334 31.823 0.130 0.000 0.957 351 V HN -0.693 7.557 8.190 0.099 0.000 0.486 352 Q N 1.683 121.534 119.800 0.085 0.000 2.064 352 Q HA 0.257 nan 4.340 nan 0.000 0.213 352 Q C -1.703 174.338 176.000 0.068 0.000 0.779 352 Q CA -0.296 55.550 55.803 0.070 0.000 1.032 352 Q CB 2.139 30.915 28.738 0.064 0.000 1.203 352 Q HN 0.523 8.848 8.270 0.093 0.000 0.457 353 R N -5.484 115.063 120.500 0.078 0.000 2.710 353 R HA 0.372 nan 4.340 nan 0.000 0.270 353 R C 0.317 176.659 176.300 0.069 0.000 1.021 353 R CA -1.172 54.968 56.100 0.067 0.000 0.889 353 R CB 1.981 32.321 30.300 0.067 0.000 1.243 353 R HN -0.676 7.650 8.270 0.094 0.000 0.464 354 T N 2.780 117.366 114.554 0.053 0.000 2.759 354 T HA -0.292 nan 4.350 nan 0.000 0.269 354 T C 0.845 175.574 174.700 0.049 0.000 1.042 354 T CA 4.711 66.839 62.100 0.047 0.000 1.140 354 T CB -0.383 68.504 68.868 0.031 0.000 0.864 354 T HN 0.764 9.030 8.240 0.044 0.000 0.455 355 E N -0.144 120.086 120.200 0.050 0.000 2.118 355 E HA -0.358 nan 4.350 nan 0.000 0.195 355 E C 1.913 178.553 176.600 0.066 0.000 0.992 355 E CA 3.873 60.299 56.400 0.043 0.000 0.804 355 E CB -0.891 28.839 29.700 0.050 0.000 0.741 355 E HN 0.188 8.557 8.360 0.052 0.022 0.458 356 D N -1.514 118.965 120.400 0.132 0.000 2.289 356 D HA -0.019 nan 4.640 nan 0.000 0.207 356 D C 2.116 178.533 176.300 0.194 0.000 0.966 356 D CA 2.563 56.708 54.000 0.242 0.000 0.868 356 D CB -0.112 40.877 40.800 0.316 0.000 0.943 356 D HN -0.444 7.978 8.370 0.122 0.020 0.514 357 V N 1.803 121.789 119.914 0.120 0.000 2.295 357 V HA -0.367 nan 4.120 nan 0.000 0.246 357 V C 1.640 177.754 176.094 0.033 0.000 1.049 357 V CA 4.333 66.688 62.300 0.091 0.000 1.024 357 V CB -0.350 31.517 31.823 0.072 0.000 0.648 357 V HN -0.399 7.733 8.190 0.104 0.120 0.447 358 I N -1.905 118.665 120.570 0.001 0.000 2.493 358 I HA -0.587 nan 4.170 nan 0.000 0.254 358 I C 1.870 177.914 176.117 -0.123 0.000 1.160 358 I CA 4.288 65.561 61.300 -0.044 0.000 1.445 358 I CB -0.529 37.451 38.000 -0.034 0.000 1.086 358 I HN -0.011 8.209 8.210 0.018 0.000 0.433 359 K N -0.020 120.259 120.400 -0.202 0.000 2.076 359 K HA -0.246 nan 4.320 nan 0.000 0.204 359 K C 1.934 178.230 176.600 -0.507 0.000 1.051 359 K CA 3.547 59.536 56.287 -0.497 0.000 0.949 359 K CB -0.240 31.700 32.500 -0.932 0.000 0.726 359 K HN -0.106 7.974 8.250 -0.119 0.098 0.443 360 A N -1.018 121.664 122.820 -0.229 0.000 1.978 360 A HA -0.264 nan 4.320 nan 0.000 0.220 360 A C 1.703 179.273 177.584 -0.022 0.000 1.170 360 A CA 2.857 54.912 52.037 0.030 0.000 0.636 360 A CB -0.975 18.162 19.000 0.228 0.000 0.810 360 A HN 0.068 8.179 8.150 -0.065 0.000 0.448 361 A N -1.738 121.051 122.820 -0.050 0.000 1.832 361 A HA -0.311 nan 4.320 nan 0.000 0.214 361 A C 2.346 179.883 177.584 -0.077 0.000 1.200 361 A CA 3.000 55.011 52.037 -0.045 0.000 0.610 361 A CB -0.768 18.208 19.000 -0.040 0.000 0.842 361 A HN 0.159 8.274 8.150 -0.049 0.006 0.444 362 E N -1.720 118.406 120.200 -0.124 0.000 2.130 362 E HA -0.296 nan 4.350 nan 0.000 0.196 362 E C 1.757 178.283 176.600 -0.122 0.000 0.998 362 E CA 2.593 58.918 56.400 -0.126 0.000 0.806 362 E CB 0.173 29.775 29.700 -0.163 0.000 0.738 362 E HN -0.393 7.878 8.360 -0.149 0.000 0.459 363 I N -8.491 111.989 120.570 -0.150 0.000 3.686 363 I HA 0.045 nan 4.170 nan 0.000 0.308 363 I C 0.071 176.179 176.117 -0.015 0.000 1.254 363 I CA -0.462 60.798 61.300 -0.067 0.000 1.175 363 I CB -1.035 36.955 38.000 -0.017 0.000 1.009 363 I HN -0.290 7.786 8.210 -0.222 0.000 0.459 364 G N 0.290 109.076 108.800 -0.023 0.000 2.338 364 G HA2 -0.398 nan 3.960 nan 0.000 0.296 364 G HA3 -0.398 nan 3.960 nan 0.000 0.296 364 G C -0.277 174.625 174.900 0.003 0.000 1.040 364 G CA 0.385 45.480 45.100 -0.009 0.000 1.004 364 G HN -0.082 7.983 8.290 -0.043 0.199 0.509 365 V N -7.005 112.918 119.914 0.015 0.000 3.134 365 V HA 0.629 nan 4.120 nan 0.000 0.313 365 V C -0.556 175.528 176.094 -0.016 0.000 1.069 365 V CA -1.995 60.307 62.300 0.003 0.000 1.048 365 V CB 0.874 32.711 31.823 0.024 0.000 1.119 365 V HN -0.494 7.709 8.190 0.022 0.000 0.461 366 S N 0.996 116.664 115.700 -0.055 0.000 2.329 366 S HA 0.052 nan 4.470 nan 0.000 0.215 366 S C 0.298 174.895 174.600 -0.005 0.000 1.031 366 S CA 3.321 61.492 58.200 -0.048 0.000 0.985 366 S CB 0.869 64.005 63.200 -0.107 0.000 0.917 366 S HN 0.468 8.725 8.310 -0.089 0.000 0.441 367 G N -2.963 105.817 108.800 -0.034 0.000 3.108 367 G HA2 0.563 nan 3.960 nan 0.000 0.268 367 G HA3 0.563 nan 3.960 nan 0.000 0.268 367 G C -3.105 171.841 174.900 0.077 0.000 1.361 367 G CA -1.389 43.770 45.100 0.099 0.000 1.047 367 G HN -0.802 7.405 8.290 -0.139 0.000 0.540 368 V N -1.242 118.788 119.914 0.193 0.000 2.668 368 V HA 0.546 nan 4.120 nan 0.000 0.304 368 V C -1.598 174.663 176.094 0.278 0.000 1.071 368 V CA -0.567 61.839 62.300 0.177 0.000 0.894 368 V CB 4.182 36.099 31.823 0.157 0.000 1.008 368 V HN 0.089 8.465 8.190 0.310 0.000 0.425 369 V N 8.672 128.731 119.914 0.242 0.000 2.348 369 V HA 0.471 nan 4.120 nan 0.000 0.270 369 V C -0.751 175.461 176.094 0.197 0.000 1.037 369 V CA -1.474 60.999 62.300 0.289 0.000 0.872 369 V CB 0.094 32.046 31.823 0.215 0.000 1.002 369 V HN 0.705 8.999 8.190 0.174 0.000 0.464 370 L N 10.112 131.450 121.223 0.193 0.000 2.565 370 L HA 0.154 nan 4.340 nan 0.000 0.275 370 L C -1.745 175.193 176.870 0.115 0.000 1.137 370 L CA 0.541 55.461 54.840 0.133 0.000 0.915 370 L CB -1.215 40.913 42.059 0.115 0.000 1.232 370 L HN 0.320 8.586 8.230 0.235 0.104 0.473 371 S N 4.500 120.257 115.700 0.095 0.000 2.588 371 S HA 0.171 nan 4.470 nan 0.000 0.269 371 S C -2.301 172.345 174.600 0.078 0.000 1.157 371 S CA -0.971 57.276 58.200 0.078 0.000 0.824 371 S CB 1.340 64.579 63.200 0.066 0.000 1.126 371 S HN 0.436 8.802 8.310 0.094 0.000 0.464 372 N N 1.766 120.513 118.700 0.079 0.000 2.451 372 N HA 0.120 nan 4.740 nan 0.000 0.271 372 N C -0.388 175.224 175.510 0.169 0.000 1.410 372 N CA -0.442 52.668 53.050 0.100 0.000 0.884 372 N CB 0.879 39.406 38.487 0.066 0.000 1.332 372 N HN 0.278 8.699 8.380 0.069 0.000 0.498 373 H N -0.691 118.393 119.070 0.023 0.000 3.047 373 H HA -0.380 nan 4.556 nan 0.000 0.263 373 H C -0.240 175.088 175.328 0.001 0.000 1.168 373 H CA 1.409 57.464 56.048 0.011 0.000 1.152 373 H CB -1.068 28.701 29.762 0.012 0.000 1.278 373 H HN 0.205 8.529 8.280 0.092 0.012 0.339 374 G N -4.954 103.909 108.800 0.105 0.000 2.142 374 G HA2 -0.381 nan 3.960 nan 0.000 0.225 374 G HA3 -0.381 nan 3.960 nan 0.000 0.225 374 G C -0.265 174.732 174.900 0.162 0.000 1.015 374 G CA 0.031 45.200 45.100 0.116 0.000 0.716 374 G HN 0.181 8.517 8.290 0.076 0.000 0.508 375 G N -1.945 106.924 108.800 0.114 0.000 2.323 375 G HA2 -0.479 nan 3.960 nan 0.000 0.292 375 G HA3 -0.479 nan 3.960 nan 0.000 0.292 375 G C -0.579 174.320 174.900 -0.003 0.000 1.040 375 G CA 0.699 45.844 45.100 0.074 0.000 0.942 375 G HN -0.360 7.959 8.290 0.102 0.033 0.506 376 R N -5.432 115.063 120.500 -0.009 0.000 2.642 376 R HA 0.295 nan 4.340 nan 0.000 0.435 376 R C -1.650 174.594 176.300 -0.093 0.000 1.046 376 R CA -0.973 55.082 56.100 -0.075 0.000 1.103 376 R CB 0.520 30.759 30.300 -0.102 0.000 1.425 376 R HN -0.795 7.504 8.270 0.049 0.000 0.586 377 Q N -2.180 117.586 119.800 -0.057 0.000 2.078 377 Q HA 0.052 nan 4.340 nan 0.000 0.183 377 Q C -1.275 174.707 176.000 -0.030 0.000 0.636 377 Q CA -0.155 55.603 55.803 -0.075 0.000 0.587 377 Q CB 1.325 30.024 28.738 -0.065 0.000 2.225 377 Q HN -0.325 7.931 8.270 -0.024 0.000 0.274 378 L N 1.642 122.865 121.223 0.000 0.000 2.380 378 L HA -0.026 nan 4.340 nan 0.000 0.273 378 L C 0.336 177.214 176.870 0.013 0.000 1.138 378 L CA 0.203 55.056 54.840 0.021 0.000 0.832 378 L CB 0.712 42.797 42.059 0.043 0.000 1.124 378 L HN 0.086 8.322 8.230 0.010 0.000 0.454 379 D N 5.098 125.515 120.400 0.029 0.000 2.348 379 D HA -0.146 nan 4.640 nan 0.000 0.211 379 D C 0.063 176.289 176.300 -0.124 0.000 0.998 379 D CA 1.477 55.445 54.000 -0.053 0.000 0.873 379 D CB 0.375 41.143 40.800 -0.052 0.000 0.925 379 D HN 0.405 8.807 8.370 0.054 0.000 0.524 380 F N -0.564 119.393 119.950 0.011 0.000 2.883 380 F HA 0.148 nan 4.527 nan 0.000 0.312 380 F C -0.862 174.945 175.800 0.012 0.000 1.246 380 F CA -0.719 57.288 58.000 0.011 0.000 1.238 380 F CB 0.068 39.073 39.000 0.008 0.000 1.195 380 F HN -0.664 7.829 8.300 0.322 0.000 0.526 381 S N 1.002 116.725 115.700 0.038 0.000 2.565 381 S HA 0.082 nan 4.470 nan 0.000 0.274 381 S C 0.019 174.631 174.600 0.020 0.000 1.309 381 S CA -0.768 57.458 58.200 0.044 0.000 1.043 381 S CB 1.028 64.244 63.200 0.026 0.000 0.939 381 S HN 0.091 8.304 8.310 -0.052 0.066 0.504 382 R N 3.823 124.341 120.500 0.031 0.000 2.774 382 R HA -0.092 nan 4.340 nan 0.000 0.269 382 R C -0.784 175.505 176.300 -0.019 0.000 1.068 382 R CA 0.628 56.733 56.100 0.010 0.000 1.180 382 R CB 0.875 31.184 30.300 0.015 0.000 1.077 382 R HN 0.277 8.571 8.270 0.040 0.000 0.513 383 A N 1.900 124.691 122.820 -0.050 0.000 2.450 383 A HA 0.228 nan 4.320 nan 0.000 0.255 383 A C -0.914 176.621 177.584 -0.082 0.000 1.096 383 A CA -2.405 49.578 52.037 -0.090 0.000 0.778 383 A CB -0.778 18.128 19.000 -0.157 0.000 1.031 383 A HN 0.411 8.532 8.150 -0.048 0.000 0.494 384 P HA -0.335 nan 4.420 nan 0.000 0.216 384 P C 0.863 178.124 177.300 -0.065 0.000 1.157 384 P CA 3.051 66.135 63.100 -0.027 0.000 0.880 384 P CB 0.001 31.708 31.700 0.013 0.000 0.791 385 I N -4.600 115.862 120.570 -0.181 0.000 2.361 385 I HA -0.366 nan 4.170 nan 0.000 0.251 385 I C 1.158 177.190 176.117 -0.142 0.000 1.133 385 I CA 2.309 63.483 61.300 -0.210 0.000 1.413 385 I CB -0.093 37.581 38.000 -0.543 0.000 1.073 385 I HN -0.039 8.014 8.210 -0.263 0.000 0.424 386 E N -0.020 120.096 120.200 -0.141 0.000 2.106 386 E HA -0.286 nan 4.350 nan 0.000 0.192 386 E C 2.342 178.918 176.600 -0.039 0.000 0.984 386 E CA 3.272 59.623 56.400 -0.082 0.000 0.806 386 E CB 0.114 29.768 29.700 -0.076 0.000 0.750 386 E HN -0.404 7.727 8.360 -0.166 0.129 0.458 387 V N 0.481 120.380 119.914 -0.026 0.000 2.379 387 V HA -0.245 nan 4.120 nan 0.000 0.245 387 V C 2.593 178.694 176.094 0.011 0.000 1.044 387 V CA 3.799 66.100 62.300 0.003 0.000 1.036 387 V CB -0.383 31.451 31.823 0.018 0.000 0.664 387 V HN -0.416 7.651 8.190 -0.039 0.100 0.453 388 L N 0.266 121.495 121.223 0.011 0.000 1.997 388 L HA -0.513 nan 4.340 nan 0.000 0.216 388 L C 1.504 178.384 176.870 0.016 0.000 1.074 388 L CA 3.557 58.410 54.840 0.022 0.000 0.763 388 L CB -0.607 41.469 42.059 0.028 0.000 0.890 388 L HN 0.446 8.677 8.230 0.002 0.000 0.434 389 A N -3.974 118.849 122.820 0.005 0.000 2.032 389 A HA -0.302 nan 4.320 nan 0.000 0.221 389 A C 0.826 178.415 177.584 0.010 0.000 1.165 389 A CA 2.718 54.758 52.037 0.006 0.000 0.645 389 A CB -0.706 18.291 19.000 -0.005 0.000 0.807 389 A HN -0.356 7.789 8.150 -0.009 0.000 0.453 390 E N -3.224 116.981 120.200 0.009 0.000 2.290 390 E HA -0.040 nan 4.350 nan 0.000 0.197 390 E C 1.933 178.543 176.600 0.016 0.000 0.948 390 E CA 1.453 57.860 56.400 0.012 0.000 0.895 390 E CB 0.946 30.653 29.700 0.011 0.000 0.865 390 E HN -0.441 7.752 8.360 0.008 0.172 0.486 391 T N -0.266 114.300 114.554 0.020 0.000 2.732 391 T HA -0.100 nan 4.350 nan 0.000 0.261 391 T C 2.496 177.208 174.700 0.020 0.000 1.040 391 T CA 3.441 65.556 62.100 0.024 0.000 1.145 391 T CB -0.357 68.531 68.868 0.034 0.000 0.866 391 T HN -0.207 7.941 8.240 0.020 0.104 0.427 392 M N 1.050 120.662 119.600 0.021 0.000 2.089 392 M HA -0.192 nan 4.480 nan 0.000 0.257 392 M C -0.481 175.828 176.300 0.015 0.000 1.071 392 M CA 2.624 57.935 55.300 0.018 0.000 1.096 392 M CB -3.399 29.212 32.600 0.019 0.000 1.330 392 M HN -0.066 8.238 8.290 0.023 0.000 0.403 393 P HA -0.255 nan 4.420 nan 0.000 0.214 393 P C 1.758 179.064 177.300 0.010 0.000 1.163 393 P CA 3.073 66.180 63.100 0.012 0.000 0.889 393 P CB -0.689 31.019 31.700 0.012 0.000 0.790 394 I N -3.147 117.430 120.570 0.010 0.000 2.194 394 I HA -0.451 nan 4.170 nan 0.000 0.246 394 I C 2.090 178.210 176.117 0.006 0.000 1.093 394 I CA 2.762 64.067 61.300 0.008 0.000 1.355 394 I CB -1.196 36.809 38.000 0.009 0.000 1.046 394 I HN -0.466 7.752 8.210 0.012 0.000 0.413 395 L N -2.081 119.147 121.223 0.008 0.000 2.131 395 L HA -0.443 nan 4.340 nan 0.000 0.210 395 L C 2.668 179.540 176.870 0.004 0.000 1.092 395 L CA 3.304 58.147 54.840 0.006 0.000 0.759 395 L CB -0.883 41.181 42.059 0.009 0.000 0.903 395 L HN -0.389 7.761 8.230 0.011 0.087 0.435 396 E N -0.415 119.789 120.200 0.006 0.000 2.028 396 E HA -0.366 nan 4.350 nan 0.000 0.191 396 E C 2.819 179.421 176.600 0.004 0.000 0.988 396 E CA 3.275 59.678 56.400 0.005 0.000 0.799 396 E CB -0.298 29.406 29.700 0.008 0.000 0.755 396 E HN -0.398 7.866 8.360 0.008 0.101 0.447 397 Q N -0.278 119.524 119.800 0.004 0.000 2.135 397 Q HA -0.248 nan 4.340 nan 0.000 0.204 397 Q C 2.305 178.305 176.000 -0.001 0.000 0.981 397 Q CA 2.861 58.665 55.803 0.002 0.000 0.856 397 Q CB -0.092 28.647 28.738 0.002 0.000 0.902 397 Q HN 0.108 8.381 8.270 0.005 0.000 0.425 398 R N -3.600 116.899 120.500 -0.002 0.000 2.391 398 R HA 0.120 nan 4.340 nan 0.000 0.249 398 R C -0.239 176.058 176.300 -0.006 0.000 0.957 398 R CA -0.269 55.827 56.100 -0.006 0.000 1.093 398 R CB -0.246 30.049 30.300 -0.009 0.000 1.156 398 R HN -0.138 8.116 8.270 -0.001 0.015 0.526 399 N N -4.621 114.077 118.700 -0.003 0.000 2.717 399 N HA -0.351 nan 4.740 nan 0.000 0.248 399 N C 0.005 175.513 175.510 -0.004 0.000 1.099 399 N CA 2.071 55.119 53.050 -0.003 0.000 0.843 399 N CB -0.916 37.569 38.487 -0.004 0.000 1.155 399 N HN 0.410 8.586 8.380 -0.001 0.202 0.580 400 L N -6.658 114.562 121.223 -0.005 0.000 2.667 400 L HA 0.317 nan 4.340 nan 0.000 0.232 400 L C 0.697 177.566 176.870 -0.002 0.000 1.138 400 L CA -0.201 54.635 54.840 -0.006 0.000 0.921 400 L CB -0.762 41.289 42.059 -0.012 0.000 1.180 400 L HN -0.518 7.631 8.230 -0.005 0.078 0.487 401 K N 1.894 122.294 120.400 0.000 0.000 2.020 401 K HA -0.452 nan 4.320 nan 0.000 0.212 401 K C 1.136 177.737 176.600 0.001 0.000 1.050 401 K CA 3.877 60.165 56.287 0.002 0.000 0.929 401 K CB -0.482 32.020 32.500 0.003 0.000 0.714 401 K HN -0.526 7.671 8.250 0.000 0.053 0.443 402 D N -3.356 117.045 120.400 0.002 0.000 2.351 402 D HA -0.178 nan 4.640 nan 0.000 0.216 402 D C 1.055 177.357 176.300 0.003 0.000 0.968 402 D CA 2.215 56.217 54.000 0.003 0.000 0.899 402 D CB -1.109 39.694 40.800 0.004 0.000 0.907 402 D HN 0.301 8.672 8.370 0.002 0.000 0.514 403 K N -1.894 118.508 120.400 0.002 0.000 2.076 403 K HA -0.094 nan 4.320 nan 0.000 0.204 403 K C 0.111 176.715 176.600 0.007 0.000 1.051 403 K CA 0.918 57.207 56.287 0.003 0.000 0.949 403 K CB 0.487 32.986 32.500 -0.002 0.000 0.726 403 K HN -0.444 7.612 8.250 0.001 0.195 0.443 404 L N -1.224 120.005 121.223 0.009 0.000 2.317 404 L HA 0.186 nan 4.340 nan 0.000 0.281 404 L C -1.240 175.641 176.870 0.018 0.000 1.024 404 L CA -1.564 53.288 54.840 0.020 0.000 0.810 404 L CB 2.005 44.078 42.059 0.023 0.000 1.240 404 L HN -0.606 7.628 8.230 0.006 0.000 0.427 405 E N 6.231 126.457 120.200 0.043 0.000 2.227 405 E HA 0.191 nan 4.350 nan 0.000 0.282 405 E C -1.716 174.882 176.600 -0.003 0.000 1.015 405 E CA -0.838 55.553 56.400 -0.014 0.000 0.823 405 E CB 1.652 31.399 29.700 0.077 0.000 1.081 405 E HN 0.449 8.740 8.360 0.071 0.112 0.396 406 V N 3.846 123.682 119.914 -0.129 0.000 2.378 406 V HA 0.553 nan 4.120 nan 0.000 0.288 406 V C -1.008 175.036 176.094 -0.084 0.000 1.016 406 V CA -1.057 61.250 62.300 0.012 0.000 0.840 406 V CB 0.639 32.479 31.823 0.029 0.000 0.994 406 V HN 0.556 8.627 8.190 -0.198 0.000 0.431 407 F N 7.696 127.736 119.950 0.149 0.000 2.410 407 F HA 0.761 nan 4.527 nan 0.000 0.324 407 F C -0.975 174.925 175.800 0.167 0.000 1.093 407 F CA -0.960 57.168 58.000 0.213 0.000 1.028 407 F CB 2.164 41.354 39.000 0.316 0.000 1.309 407 F HN 0.620 9.268 8.300 0.579 0.000 0.499 408 V N -1.227 118.885 119.914 0.330 0.000 3.048 408 V HA 0.576 nan 4.120 nan 0.000 0.303 408 V C -2.615 173.579 176.094 0.168 0.000 1.214 408 V CA -0.798 61.624 62.300 0.203 0.000 0.984 408 V CB 4.026 35.948 31.823 0.164 0.000 1.054 408 V HN 0.016 8.442 8.190 0.393 0.000 0.430 409 D N 2.843 123.314 120.400 0.118 0.000 2.768 409 D HA 0.536 nan 4.640 nan 0.000 0.327 409 D C -0.806 175.537 176.300 0.072 0.000 1.302 409 D CA -1.729 52.309 54.000 0.063 0.000 0.897 409 D CB 2.971 43.782 40.800 0.019 0.000 1.420 409 D HN -0.040 8.397 8.370 0.112 0.000 0.494 410 G N -2.718 106.111 108.800 0.048 0.000 3.295 410 G HA2 -0.311 nan 3.960 nan 0.000 0.686 410 G HA3 -0.311 nan 3.960 nan 0.000 0.686 410 G C 0.324 175.295 174.900 0.118 0.000 0.958 410 G CA -0.382 44.753 45.100 0.058 0.000 0.787 410 G HN 0.084 8.385 8.290 0.017 0.000 0.523 411 G N -0.508 108.341 108.800 0.082 0.000 2.175 411 G HA2 -0.447 nan 3.960 nan 0.000 0.265 411 G HA3 -0.447 nan 3.960 nan 0.000 0.265 411 G C -0.790 174.216 174.900 0.176 0.000 0.979 411 G CA 0.804 45.984 45.100 0.135 0.000 0.663 411 G HN 0.050 8.359 8.290 0.032 0.000 0.533 412 V N 0.106 120.045 119.914 0.042 0.000 2.470 412 V HA 0.034 nan 4.120 nan 0.000 0.276 412 V C -0.317 175.676 176.094 -0.169 0.000 1.040 412 V CA 0.446 62.677 62.300 -0.116 0.000 1.008 412 V CB -1.284 30.442 31.823 -0.161 0.000 0.990 412 V HN -0.040 8.158 8.190 0.013 0.000 0.477 413 R N 4.951 125.351 120.500 -0.166 0.000 2.538 413 R HA 0.367 nan 4.340 nan 0.000 0.372 413 R C -0.890 175.235 176.300 -0.291 0.000 0.950 413 R CA -0.981 54.936 56.100 -0.306 0.000 1.168 413 R CB 2.120 32.172 30.300 -0.412 0.000 1.542 413 R HN 0.760 9.343 8.270 -0.085 -0.364 0.536 414 R N -2.357 118.029 120.500 -0.189 0.000 2.739 414 R HA 0.240 nan 4.340 nan 0.000 0.271 414 R C 0.023 176.240 176.300 -0.137 0.000 1.010 414 R CA -1.055 54.969 56.100 -0.126 0.000 0.897 414 R CB 3.379 33.682 30.300 0.005 0.000 1.236 414 R HN -0.639 7.570 8.270 -0.215 -0.068 0.466 415 G N 1.004 109.751 108.800 -0.088 0.000 2.402 415 G HA2 -0.236 nan 3.960 nan 0.000 0.216 415 G HA3 -0.236 nan 3.960 nan 0.000 0.216 415 G C 0.423 175.309 174.900 -0.023 0.000 1.162 415 G CA 2.398 47.461 45.100 -0.062 0.000 0.777 415 G HN 0.557 9.092 8.290 -0.058 -0.279 0.539 416 T N -0.587 113.982 114.554 0.025 0.000 2.929 416 T HA -0.302 nan 4.350 nan 0.000 0.271 416 T C 1.824 176.531 174.700 0.011 0.000 1.085 416 T CA 3.465 65.656 62.100 0.151 0.000 1.125 416 T CB -1.031 67.984 68.868 0.245 0.000 0.874 416 T HN 0.238 8.491 8.240 0.022 0.000 0.494 417 D N 2.555 122.825 120.400 -0.217 0.000 2.103 417 D HA -0.130 nan 4.640 nan 0.000 0.199 417 D C 1.743 177.777 176.300 -0.444 0.000 0.978 417 D CA 3.260 56.872 54.000 -0.648 0.000 0.829 417 D CB -0.418 39.791 40.800 -0.985 0.000 0.981 417 D HN -0.423 7.677 8.370 -0.181 0.161 0.464 418 V N 0.974 120.746 119.914 -0.236 0.000 2.250 418 V HA -0.433 nan 4.120 nan 0.000 0.250 418 V C 2.043 178.151 176.094 0.024 0.000 1.060 418 V CA 4.511 66.766 62.300 -0.075 0.000 1.030 418 V CB -0.740 31.068 31.823 -0.024 0.000 0.643 418 V HN -0.658 7.395 8.190 -0.229 0.000 0.445 419 L N -4.409 116.854 121.223 0.067 0.000 2.191 419 L HA -0.421 nan 4.340 nan 0.000 0.212 419 L C 1.937 178.927 176.870 0.201 0.000 1.103 419 L CA 3.259 58.184 54.840 0.142 0.000 0.769 419 L CB -1.170 40.992 42.059 0.171 0.000 0.908 419 L HN 0.131 8.391 8.230 0.050 0.000 0.438 420 K N -0.766 119.741 120.400 0.178 0.000 2.025 420 K HA -0.339 nan 4.320 nan 0.000 0.207 420 K C 2.170 178.875 176.600 0.175 0.000 1.049 420 K CA 3.096 59.483 56.287 0.167 0.000 0.933 420 K CB -0.392 32.178 32.500 0.117 0.000 0.714 420 K HN -0.440 7.765 8.250 0.100 0.106 0.438 421 A N -0.261 122.682 122.820 0.204 0.000 1.869 421 A HA -0.290 nan 4.320 nan 0.000 0.218 421 A C 2.364 180.018 177.584 0.116 0.000 1.203 421 A CA 3.078 55.225 52.037 0.184 0.000 0.638 421 A CB -0.856 18.253 19.000 0.182 0.000 0.831 421 A HN -0.263 8.000 8.150 0.188 0.000 0.450 422 L N -2.997 118.286 121.223 0.100 0.000 2.017 422 L HA -0.450 nan 4.340 nan 0.000 0.208 422 L C 2.413 179.328 176.870 0.075 0.000 1.073 422 L CA 2.979 57.864 54.840 0.075 0.000 0.745 422 L CB -0.441 41.662 42.059 0.072 0.000 0.894 422 L HN -0.014 8.278 8.230 0.103 0.000 0.432 423 C N -2.073 117.286 119.300 0.100 0.000 2.403 423 C HA -0.278 nan 4.460 nan 0.000 0.282 423 C C 1.579 176.615 174.990 0.077 0.000 1.297 423 C CA 3.058 62.134 59.018 0.096 0.000 1.785 423 C CB -1.659 26.166 27.740 0.141 0.000 1.963 423 C HN 0.031 8.335 8.230 0.124 0.000 0.507 424 L N -3.663 117.605 121.223 0.075 0.000 2.446 424 L HA -0.048 nan 4.340 nan 0.000 0.219 424 L C 0.255 177.150 176.870 0.041 0.000 1.116 424 L CA 0.671 55.545 54.840 0.057 0.000 0.844 424 L CB 0.860 42.954 42.059 0.058 0.000 0.970 424 L HN -0.548 7.591 8.230 0.088 0.144 0.457 425 G N -5.804 103.018 108.800 0.037 0.000 2.935 425 G HA2 -0.136 nan 3.960 nan 0.000 0.213 425 G HA3 -0.136 nan 3.960 nan 0.000 0.213 425 G C -1.308 173.588 174.900 -0.005 0.000 0.984 425 G CA -0.497 44.612 45.100 0.016 0.000 0.790 425 G HN -0.460 7.711 8.290 0.046 0.146 0.538 426 A N 1.070 123.894 122.820 0.007 0.000 2.498 426 A HA 0.038 nan 4.320 nan 0.000 0.239 426 A C -0.440 177.103 177.584 -0.070 0.000 1.068 426 A CA 0.632 52.655 52.037 -0.023 0.000 0.766 426 A CB 0.127 19.151 19.000 0.039 0.000 1.003 426 A HN -0.706 7.465 8.150 0.034 0.000 0.497 427 K N 3.435 123.708 120.400 -0.212 0.000 2.305 427 K HA -0.035 nan 4.320 nan 0.000 0.199 427 K C -0.817 175.690 176.600 -0.156 0.000 1.047 427 K CA 0.459 56.595 56.287 -0.252 0.000 0.976 427 K CB 1.485 33.694 32.500 -0.485 0.000 0.765 427 K HN 0.270 8.338 8.250 -0.304 0.000 0.474 428 G N -5.738 103.013 108.800 -0.082 0.000 2.519 428 G HA2 0.190 nan 3.960 nan 0.000 0.292 428 G HA3 0.190 nan 3.960 nan 0.000 0.292 428 G C -3.446 171.658 174.900 0.340 0.000 1.507 428 G CA 0.092 45.327 45.100 0.225 0.000 0.806 428 G HN -0.963 7.215 8.290 -0.130 0.034 0.523 429 V N -5.195 114.873 119.914 0.256 0.000 2.823 429 V HA 0.975 nan 4.120 nan 0.000 0.312 429 V C -1.790 174.111 176.094 -0.321 0.000 1.072 429 V CA -3.931 58.420 62.300 0.085 0.000 0.937 429 V CB 3.531 35.401 31.823 0.078 0.000 1.013 429 V HN 0.174 8.531 8.190 0.279 0.000 0.430 430 G N 2.132 110.602 108.800 -0.550 0.000 2.568 430 G HA2 0.950 nan 3.960 nan 0.000 0.313 430 G HA3 0.950 nan 3.960 nan 0.000 0.313 430 G C -2.908 171.827 174.900 -0.274 0.000 1.227 430 G CA -2.057 42.496 45.100 -0.912 0.000 0.979 430 G HN 0.149 8.300 8.290 -0.231 0.000 0.486 431 L N -1.307 119.851 121.223 -0.109 0.000 2.470 431 L HA 0.349 nan 4.340 nan 0.000 0.268 431 L C -0.484 176.426 176.870 0.066 0.000 0.964 431 L CA -0.102 54.715 54.840 -0.038 0.000 0.839 431 L CB 3.470 45.451 42.059 -0.130 0.000 1.276 431 L HN -0.450 7.745 8.230 -0.058 0.000 0.403 432 G N 1.122 109.903 108.800 -0.032 0.000 2.548 432 G HA2 0.117 nan 3.960 nan 0.000 0.221 432 G HA3 0.117 nan 3.960 nan 0.000 0.221 432 G C 1.105 175.923 174.900 -0.137 0.000 1.796 432 G CA 0.140 45.209 45.100 -0.052 0.000 0.889 432 G HN 0.229 8.477 8.290 -0.070 0.000 0.599 433 R N 1.372 121.733 120.500 -0.231 0.000 2.165 433 R HA -0.349 nan 4.340 nan 0.000 0.254 433 R C -0.556 175.515 176.300 -0.382 0.000 1.153 433 R CA 4.792 60.624 56.100 -0.447 0.000 0.971 433 R CB -1.793 28.353 30.300 -0.256 0.000 0.878 433 R HN 0.346 8.509 8.270 -0.178 0.000 0.449 434 P HA -0.247 nan 4.420 nan 0.000 0.214 434 P C 1.608 178.779 177.300 -0.216 0.000 1.163 434 P CA 3.458 66.473 63.100 -0.141 0.000 0.889 434 P CB -0.373 31.075 31.700 -0.420 0.000 0.790 435 F N -4.047 115.822 119.950 -0.135 0.000 2.171 435 F HA -0.258 nan 4.527 nan 0.000 0.300 435 F C 2.353 178.016 175.800 -0.230 0.000 1.090 435 F CA 3.344 61.242 58.000 -0.170 0.000 1.293 435 F CB -0.769 38.154 39.000 -0.129 0.000 1.013 435 F HN -0.693 7.348 8.300 -0.431 0.000 0.486 436 L N -0.929 120.201 121.223 -0.155 0.000 2.093 436 L HA -0.451 nan 4.340 nan 0.000 0.208 436 L C 1.504 178.184 176.870 -0.316 0.000 1.085 436 L CA 3.535 58.146 54.840 -0.382 0.000 0.755 436 L CB 0.021 41.651 42.059 -0.715 0.000 0.904 436 L HN -0.560 7.480 8.230 -0.180 0.082 0.435 437 Y N -4.484 115.754 120.300 -0.103 0.000 2.500 437 Y HA -0.123 nan 4.550 nan 0.000 0.270 437 Y C 1.603 177.441 175.900 -0.104 0.000 1.134 437 Y CA 1.387 59.481 58.100 -0.009 0.000 1.293 437 Y CB -1.228 37.311 38.460 0.132 0.000 1.063 437 Y HN 0.147 8.191 8.280 -0.238 0.094 0.534 438 A N 1.271 123.989 122.820 -0.170 0.000 1.898 438 A HA -0.322 nan 4.320 nan 0.000 0.214 438 A C 1.614 179.049 177.584 -0.249 0.000 1.183 438 A CA 2.862 54.495 52.037 -0.674 0.000 0.622 438 A CB -0.674 17.757 19.000 -0.948 0.000 0.824 438 A HN 0.435 8.381 8.150 -0.127 0.128 0.444 439 N N -2.019 116.607 118.700 -0.123 0.000 2.104 439 N HA -0.310 nan 4.740 nan 0.000 0.190 439 N C 2.537 178.037 175.510 -0.018 0.000 1.024 439 N CA 2.900 55.920 53.050 -0.051 0.000 0.853 439 N CB -0.216 38.240 38.487 -0.050 0.000 1.008 439 N HN 0.293 8.495 8.380 -0.116 0.108 0.424 440 S N -0.008 115.696 115.700 0.006 0.000 2.406 440 S HA -0.107 nan 4.470 nan 0.000 0.228 440 S C 1.009 175.604 174.600 -0.008 0.000 1.020 440 S CA 3.122 61.356 58.200 0.057 0.000 0.965 440 S CB 0.189 63.495 63.200 0.176 0.000 0.798 440 S HN -0.155 8.066 8.310 -0.001 0.088 0.488 441 C N -1.196 118.058 119.300 -0.076 0.000 2.611 441 C HA 0.047 nan 4.460 nan 0.000 0.282 441 C C 0.996 175.650 174.990 -0.560 0.000 1.321 441 C CA 1.237 60.063 59.018 -0.320 0.000 1.747 441 C CB 0.827 28.305 27.740 -0.436 0.000 2.124 441 C HN -0.560 7.656 8.230 -0.023 0.000 0.531 442 Y N -2.854 117.455 120.300 0.016 0.000 2.707 442 Y HA 0.192 nan 4.550 nan 0.000 0.249 442 Y C 0.304 176.201 175.900 -0.005 0.000 1.166 442 Y CA -0.752 57.362 58.100 0.022 0.000 1.184 442 Y CB -0.400 38.093 38.460 0.056 0.000 1.240 442 Y HN 0.129 8.403 8.280 -0.009 0.000 0.547 443 G N 0.593 109.428 108.800 0.059 0.000 2.594 443 G HA2 -0.559 nan 3.960 nan 0.000 0.297 443 G HA3 -0.559 nan 3.960 nan 0.000 0.297 443 G C 0.038 174.960 174.900 0.036 0.000 1.273 443 G CA 1.402 46.525 45.100 0.038 0.000 0.974 443 G HN 0.096 8.320 8.290 0.016 0.076 0.552 444 R N 1.712 122.229 120.500 0.028 0.000 2.105 444 R HA -0.356 nan 4.340 nan 0.000 0.239 444 R C 2.209 178.527 176.300 0.031 0.000 1.135 444 R CA 2.980 59.090 56.100 0.016 0.000 0.967 444 R CB -0.574 29.732 30.300 0.009 0.000 0.861 444 R HN -0.125 8.444 8.270 0.028 -0.283 0.442 445 N N 0.090 118.824 118.700 0.057 0.000 2.120 445 N HA -0.233 nan 4.740 nan 0.000 0.188 445 N C 2.202 177.753 175.510 0.069 0.000 1.024 445 N CA 2.932 56.020 53.050 0.063 0.000 0.852 445 N CB -0.712 37.823 38.487 0.079 0.000 1.003 445 N HN -0.275 8.144 8.380 0.065 0.000 0.424 446 G N 0.696 109.557 108.800 0.102 0.000 2.421 446 G HA2 -0.305 nan 3.960 nan 0.000 0.216 446 G HA3 -0.305 nan 3.960 nan 0.000 0.216 446 G C 1.304 176.160 174.900 -0.073 0.000 1.171 446 G CA 2.166 47.283 45.100 0.028 0.000 0.775 446 G HN -0.038 8.231 8.290 0.143 0.107 0.543 447 V N 2.509 122.406 119.914 -0.027 0.000 2.469 447 V HA -0.464 nan 4.120 nan 0.000 0.251 447 V C 2.003 178.141 176.094 0.073 0.000 1.064 447 V CA 3.826 66.141 62.300 0.025 0.000 1.066 447 V CB -0.841 30.971 31.823 -0.017 0.000 0.667 447 V HN 0.051 8.236 8.190 -0.009 0.000 0.461 448 E N -0.467 119.765 120.200 0.053 0.000 2.046 448 E HA -0.359 nan 4.350 nan 0.000 0.190 448 E C 1.897 178.564 176.600 0.112 0.000 0.982 448 E CA 3.341 59.780 56.400 0.065 0.000 0.800 448 E CB -0.159 29.566 29.700 0.042 0.000 0.756 448 E HN 0.095 8.348 8.360 0.038 0.130 0.449 449 K N -0.270 120.202 120.400 0.120 0.000 2.057 449 K HA -0.296 nan 4.320 nan 0.000 0.207 449 K C 2.118 178.858 176.600 0.233 0.000 1.049 449 K CA 3.114 59.497 56.287 0.160 0.000 0.931 449 K CB -0.092 32.514 32.500 0.177 0.000 0.714 449 K HN -0.057 8.251 8.250 0.097 0.000 0.440 450 A N -1.243 121.759 122.820 0.302 0.000 1.948 450 A HA -0.279 nan 4.320 nan 0.000 0.220 450 A C 2.201 179.954 177.584 0.283 0.000 1.177 450 A CA 3.059 55.289 52.037 0.322 0.000 0.636 450 A CB -1.000 18.131 19.000 0.219 0.000 0.815 450 A HN -0.203 8.082 8.150 0.226 0.000 0.449 451 I N -1.978 118.823 120.570 0.385 0.000 2.179 451 I HA -0.646 nan 4.170 nan 0.000 0.242 451 I C 1.936 178.247 176.117 0.323 0.000 1.088 451 I CA 4.222 65.797 61.300 0.458 0.000 1.357 451 I CB -0.169 38.025 38.000 0.322 0.000 1.051 451 I HN -0.591 7.823 8.210 0.346 0.004 0.409 452 E N -0.160 120.160 120.200 0.200 0.000 2.038 452 E HA -0.435 nan 4.350 nan 0.000 0.195 452 E C 2.617 179.286 176.600 0.114 0.000 1.000 452 E CA 3.291 59.774 56.400 0.137 0.000 0.803 452 E CB -0.190 29.566 29.700 0.094 0.000 0.750 452 E HN -0.638 7.759 8.360 0.185 0.074 0.448 453 I N -0.471 120.154 120.570 0.092 0.000 2.118 453 I HA -0.500 nan 4.170 nan 0.000 0.241 453 I C 2.152 178.270 176.117 0.002 0.000 1.070 453 I CA 3.924 65.243 61.300 0.031 0.000 1.327 453 I CB -0.177 37.829 38.000 0.011 0.000 1.034 453 I HN 0.294 8.577 8.210 0.121 0.000 0.405 454 L N -1.304 119.901 121.223 -0.030 0.000 2.131 454 L HA -0.344 nan 4.340 nan 0.000 0.210 454 L C 1.666 178.573 176.870 0.060 0.000 1.092 454 L CA 3.119 57.891 54.840 -0.112 0.000 0.759 454 L CB -0.641 41.176 42.059 -0.403 0.000 0.903 454 L HN -0.308 7.915 8.230 -0.012 0.000 0.435 455 R N -0.592 120.028 120.500 0.201 0.000 2.075 455 R HA -0.395 nan 4.340 nan 0.000 0.232 455 R C 1.892 178.254 176.300 0.105 0.000 1.126 455 R CA 3.840 60.070 56.100 0.216 0.000 0.963 455 R CB -0.468 29.948 30.300 0.193 0.000 0.858 455 R HN -0.161 8.132 8.270 0.214 0.105 0.435 456 D N -0.608 119.833 120.400 0.069 0.000 2.149 456 D HA -0.155 nan 4.640 nan 0.000 0.201 456 D C 2.458 178.770 176.300 0.020 0.000 0.972 456 D CA 3.358 57.380 54.000 0.037 0.000 0.835 456 D CB -0.587 40.228 40.800 0.026 0.000 0.966 456 D HN 0.201 8.614 8.370 0.073 0.000 0.476 457 E N 0.474 120.680 120.200 0.009 0.000 2.150 457 E HA -0.288 nan 4.350 nan 0.000 0.193 457 E C 2.681 179.282 176.600 0.002 0.000 0.985 457 E CA 3.002 59.399 56.400 -0.005 0.000 0.814 457 E CB 0.008 29.692 29.700 -0.026 0.000 0.752 457 E HN -0.088 8.276 8.360 0.007 0.000 0.466 458 I N 0.136 120.721 120.570 0.025 0.000 2.233 458 I HA -0.529 nan 4.170 nan 0.000 0.243 458 I C 1.838 177.966 176.117 0.018 0.000 1.093 458 I CA 4.216 65.537 61.300 0.034 0.000 1.380 458 I CB -0.125 37.929 38.000 0.091 0.000 1.067 458 I HN -0.056 8.170 8.210 0.042 0.009 0.413 459 E N -0.205 120.010 120.200 0.025 0.000 2.038 459 E HA -0.429 nan 4.350 nan 0.000 0.195 459 E C 2.701 179.296 176.600 -0.009 0.000 1.000 459 E CA 3.388 59.794 56.400 0.011 0.000 0.803 459 E CB -0.100 29.609 29.700 0.016 0.000 0.750 459 E HN -0.214 8.170 8.360 0.041 0.000 0.448 460 M N -1.016 118.578 119.600 -0.009 0.000 2.108 460 M HA -0.436 nan 4.480 nan 0.000 0.261 460 M C 2.487 178.761 176.300 -0.044 0.000 1.066 460 M CA 4.142 59.429 55.300 -0.021 0.000 1.107 460 M CB -0.068 32.523 32.600 -0.014 0.000 1.356 460 M HN 0.183 8.473 8.290 -0.000 0.000 0.406 461 S N -0.512 115.154 115.700 -0.056 0.000 2.406 461 S HA -0.238 nan 4.470 nan 0.000 0.228 461 S C 1.712 176.220 174.600 -0.153 0.000 1.020 461 S CA 3.745 61.877 58.200 -0.114 0.000 0.965 461 S CB -0.330 62.801 63.200 -0.115 0.000 0.798 461 S HN 0.035 8.322 8.310 -0.037 0.000 0.488 462 M N 1.516 121.056 119.600 -0.100 0.000 2.175 462 M HA -0.383 nan 4.480 nan 0.000 0.264 462 M C 1.659 177.909 176.300 -0.084 0.000 1.063 462 M CA 3.789 59.032 55.300 -0.096 0.000 1.119 462 M CB -0.058 32.513 32.600 -0.049 0.000 1.377 462 M HN -0.539 7.618 8.290 -0.064 0.094 0.415 463 R N -0.100 120.363 120.500 -0.062 0.000 2.075 463 R HA -0.276 nan 4.340 nan 0.000 0.232 463 R C 1.825 178.089 176.300 -0.059 0.000 1.126 463 R CA 3.054 59.126 56.100 -0.047 0.000 0.963 463 R CB -0.096 30.185 30.300 -0.032 0.000 0.858 463 R HN -0.604 7.622 8.270 -0.055 0.011 0.435 464 L N -2.178 118.998 121.223 -0.078 0.000 2.376 464 L HA -0.103 nan 4.340 nan 0.000 0.219 464 L C 1.571 178.363 176.870 -0.130 0.000 1.133 464 L CA 2.194 56.981 54.840 -0.089 0.000 0.816 464 L CB 0.224 42.230 42.059 -0.088 0.000 0.933 464 L HN -0.279 7.843 8.230 -0.079 0.061 0.449 465 L N -3.146 117.971 121.223 -0.177 0.000 2.509 465 L HA 0.080 nan 4.340 nan 0.000 0.222 465 L C 0.375 177.187 176.870 -0.096 0.000 1.123 465 L CA 0.582 55.311 54.840 -0.186 0.000 0.856 465 L CB 0.843 42.749 42.059 -0.255 0.000 0.985 465 L HN -0.036 7.961 8.230 -0.179 0.126 0.456 466 G N -1.454 107.303 108.800 -0.071 0.000 2.325 466 G HA2 -0.375 nan 3.960 nan 0.000 0.248 466 G HA3 -0.375 nan 3.960 nan 0.000 0.248 466 G C -1.764 173.116 174.900 -0.034 0.000 1.108 466 G CA 0.136 45.212 45.100 -0.041 0.000 0.881 466 G HN -0.075 8.134 8.290 -0.080 0.033 0.494 467 V N -7.125 112.766 119.914 -0.039 0.000 3.078 467 V HA 0.721 nan 4.120 nan 0.000 0.311 467 V C -1.824 174.259 176.094 -0.019 0.000 1.138 467 V CA -2.301 59.984 62.300 -0.025 0.000 1.007 467 V CB 2.712 34.519 31.823 -0.027 0.000 1.045 467 V HN -0.596 7.564 8.190 -0.049 0.000 0.432 468 T N -4.150 110.399 114.554 -0.007 0.000 2.969 468 T HA 0.249 nan 4.350 nan 0.000 0.258 468 T C -0.901 173.803 174.700 0.006 0.000 0.962 468 T CA 0.155 62.254 62.100 -0.002 0.000 0.903 468 T CB 0.927 69.796 68.868 0.001 0.000 1.177 468 T HN 0.092 8.695 8.240 -0.003 -0.365 0.511 469 S N -0.785 114.921 115.700 0.009 0.000 2.599 469 S HA 0.592 nan 4.470 nan 0.000 0.294 469 S C 1.149 175.759 174.600 0.017 0.000 1.094 469 S CA -1.909 56.301 58.200 0.017 0.000 0.931 469 S CB 3.167 66.380 63.200 0.020 0.000 1.093 469 S HN -0.677 7.637 8.310 0.007 0.000 0.488 470 I N 2.370 122.952 120.570 0.020 0.000 2.454 470 I HA -0.398 nan 4.170 nan 0.000 0.254 470 I C 1.378 177.508 176.117 0.022 0.000 1.156 470 I CA 1.862 63.175 61.300 0.021 0.000 1.433 470 I CB -1.441 36.570 38.000 0.018 0.000 1.082 470 I HN 0.222 8.445 8.210 0.021 0.000 0.432 471 A N -1.584 121.249 122.820 0.022 0.000 2.121 471 A HA -0.218 nan 4.320 nan 0.000 0.218 471 A C 0.942 178.538 177.584 0.020 0.000 1.154 471 A CA 2.485 54.535 52.037 0.022 0.000 0.679 471 A CB -0.906 18.108 19.000 0.023 0.000 0.795 471 A HN 0.109 8.255 8.150 0.024 0.018 0.458 472 E N -2.588 117.622 120.200 0.018 0.000 2.442 472 E HA -0.056 nan 4.350 nan 0.000 0.195 472 E C -0.124 176.487 176.600 0.018 0.000 1.030 472 E CA -0.062 56.347 56.400 0.015 0.000 0.869 472 E CB 0.540 30.246 29.700 0.010 0.000 0.857 472 E HN -0.408 7.787 8.360 0.017 0.175 0.505 473 L N 1.150 122.387 121.223 0.023 0.000 2.617 473 L HA -0.180 nan 4.340 nan 0.000 0.282 473 L C -0.423 176.471 176.870 0.041 0.000 1.174 473 L CA 0.712 55.572 54.840 0.034 0.000 1.016 473 L CB -1.199 40.885 42.059 0.041 0.000 1.337 473 L HN -0.251 7.824 8.230 0.023 0.168 0.460 474 K N 4.758 125.183 120.400 0.042 0.000 2.450 474 K HA 0.353 nan 4.320 nan 0.000 0.248 474 K C -1.291 175.343 176.600 0.057 0.000 1.056 474 K CA -2.641 53.671 56.287 0.043 0.000 0.974 474 K CB 0.172 32.693 32.500 0.034 0.000 1.334 474 K HN -0.481 7.792 8.250 0.038 0.000 0.516 475 P HA -0.019 nan 4.420 nan 0.000 0.227 475 P C -0.145 177.196 177.300 0.068 0.000 1.161 475 P CA 1.932 65.070 63.100 0.063 0.000 0.788 475 P CB -0.009 31.721 31.700 0.049 0.000 0.822 476 D N -3.644 116.790 120.400 0.057 0.000 2.392 476 D HA -0.176 nan 4.640 nan 0.000 0.228 476 D C 0.683 177.025 176.300 0.071 0.000 1.003 476 D CA 1.826 55.860 54.000 0.055 0.000 0.917 476 D CB -1.273 39.551 40.800 0.041 0.000 0.890 476 D HN 0.491 8.854 8.370 0.049 0.036 0.532 477 L N -0.937 120.341 121.223 0.090 0.000 2.612 477 L HA 0.071 nan 4.340 nan 0.000 0.230 477 L C -1.608 175.381 176.870 0.198 0.000 1.140 477 L CA -0.057 54.855 54.840 0.120 0.000 0.896 477 L CB 0.082 42.205 42.059 0.107 0.000 1.065 477 L HN -0.913 7.292 8.230 0.088 0.078 0.447 478 L N -2.183 119.133 121.223 0.155 0.000 2.385 478 L HA 0.251 nan 4.340 nan 0.000 0.273 478 L C -1.548 175.388 176.870 0.110 0.000 0.990 478 L CA -1.648 53.282 54.840 0.150 0.000 0.821 478 L CB 2.886 45.011 42.059 0.109 0.000 1.279 478 L HN -0.454 7.753 8.230 0.115 0.092 0.412 479 D N 4.248 124.721 120.400 0.120 0.000 2.453 479 D HA 0.088 nan 4.640 nan 0.000 0.223 479 D C -0.261 176.091 176.300 0.086 0.000 1.183 479 D CA -0.877 53.184 54.000 0.103 0.000 0.933 479 D CB -0.393 40.486 40.800 0.131 0.000 1.038 479 D HN 0.680 9.037 8.370 0.150 0.103 0.513 480 L N 4.149 125.407 121.223 0.059 0.000 2.653 480 L HA 0.159 nan 4.340 nan 0.000 0.232 480 L C 0.879 177.770 176.870 0.035 0.000 1.169 480 L CA -0.591 54.276 54.840 0.044 0.000 0.951 480 L CB -1.066 41.012 42.059 0.032 0.000 1.181 480 L HN -0.350 7.914 8.230 0.055 0.000 0.460 481 S N 0.304 116.023 115.700 0.032 0.000 2.515 481 S HA -0.106 nan 4.470 nan 0.000 0.231 481 S C 0.990 175.597 174.600 0.011 0.000 0.987 481 S CA 2.326 60.536 58.200 0.015 0.000 0.936 481 S CB 0.190 63.393 63.200 0.004 0.000 0.766 481 S HN -0.384 8.153 8.310 0.040 -0.204 0.528 482 T N -3.395 111.172 114.554 0.023 0.000 3.331 482 T HA 0.374 nan 4.350 nan 0.000 0.282 482 T C 0.585 175.303 174.700 0.030 0.000 1.010 482 T CA -1.458 60.654 62.100 0.019 0.000 0.928 482 T CB 0.532 69.405 68.868 0.007 0.000 1.154 482 T HN -0.181 8.064 8.240 0.041 0.019 0.516 483 L N 2.315 123.552 121.223 0.023 0.000 2.187 483 L HA -0.274 nan 4.340 nan 0.000 0.213 483 L C -0.215 176.654 176.870 -0.001 0.000 1.100 483 L CA 2.855 57.700 54.840 0.008 0.000 0.765 483 L CB 0.166 42.224 42.059 -0.001 0.000 0.904 483 L HN -0.751 7.428 8.230 0.023 0.065 0.437 484 K N -3.928 116.474 120.400 0.004 0.000 2.493 484 K HA 0.066 nan 4.320 nan 0.000 0.207 484 K C -0.783 175.821 176.600 0.006 0.000 1.033 484 K CA -1.383 54.906 56.287 0.002 0.000 1.161 484 K CB -1.597 30.905 32.500 0.003 0.000 0.873 484 K HN -0.220 8.010 8.250 0.006 0.024 0.491 485 A N 1.660 124.486 122.820 0.010 0.000 3.157 485 A HA 0.122 nan 4.320 nan 0.000 0.276 485 A C -1.432 176.161 177.584 0.015 0.000 1.524 485 A CA -0.873 51.171 52.037 0.012 0.000 1.236 485 A CB -0.632 18.376 19.000 0.013 0.000 1.173 485 A HN -0.353 7.661 8.150 0.013 0.143 0.595 486 R N 2.892 123.400 120.500 0.013 0.000 2.198 486 R HA 0.153 nan 4.340 nan 0.000 0.339 486 R C -1.022 175.290 176.300 0.021 0.000 1.020 486 R CA -0.097 56.012 56.100 0.016 0.000 0.864 486 R CB 0.182 30.490 30.300 0.015 0.000 1.105 486 R HN -0.607 7.608 8.270 0.011 0.062 0.463 487 T N 0.744 115.311 114.554 0.023 0.000 2.893 487 T HA 0.230 nan 4.350 nan 0.000 0.291 487 T C -0.653 174.062 174.700 0.025 0.000 1.028 487 T CA -0.859 61.253 62.100 0.020 0.000 0.995 487 T CB 1.629 70.504 68.868 0.013 0.000 1.051 487 T HN -0.030 8.224 8.240 0.024 0.000 0.470 488 V N 2.412 122.340 119.914 0.024 0.000 2.394 488 V HA 0.291 nan 4.120 nan 0.000 0.282 488 V C 0.665 176.767 176.094 0.013 0.000 1.031 488 V CA -0.047 62.268 62.300 0.026 0.000 0.881 488 V CB 0.370 32.210 31.823 0.029 0.000 0.982 488 V HN 0.385 8.586 8.190 0.018 0.000 0.451 489 G N 3.879 112.686 108.800 0.011 0.000 2.599 489 G HA2 0.099 nan 3.960 nan 0.000 0.264 489 G HA3 0.099 nan 3.960 nan 0.000 0.264 489 G C -0.861 174.038 174.900 -0.002 0.000 1.200 489 G CA -0.298 44.802 45.100 0.001 0.000 0.896 489 G HN 0.037 8.336 8.290 0.016 0.000 0.536 490 V N 0.502 120.410 119.914 -0.011 0.000 2.732 490 V HA 0.236 nan 4.120 nan 0.000 0.297 490 V C -1.420 174.667 176.094 -0.012 0.000 1.060 490 V CA -2.465 59.827 62.300 -0.013 0.000 1.038 490 V CB 0.160 31.971 31.823 -0.020 0.000 1.003 490 V HN -0.105 8.075 8.190 -0.015 0.000 0.481 491 P HA -0.031 nan 4.420 nan 0.000 0.261 491 P C -1.462 175.834 177.300 -0.006 0.000 1.158 491 P CA 0.740 63.839 63.100 -0.002 0.000 0.758 491 P CB 0.657 32.357 31.700 0.000 0.000 0.763 492 N N 3.690 122.391 118.700 0.002 0.000 2.458 492 N HA -0.208 nan 4.740 nan 0.000 0.258 492 N C -0.576 174.939 175.510 0.010 0.000 1.219 492 N CA 0.118 53.170 53.050 0.004 0.000 0.902 492 N CB 0.581 39.077 38.487 0.016 0.000 1.076 492 N HN -0.092 8.292 8.380 0.007 0.000 0.455 493 D N 4.756 125.159 120.400 0.006 0.000 2.517 493 D HA -0.036 nan 4.640 nan 0.000 0.220 493 D C 0.583 176.924 176.300 0.069 0.000 1.158 493 D CA -1.134 52.880 54.000 0.022 0.000 0.992 493 D CB -0.544 40.246 40.800 -0.016 0.000 1.058 493 D HN 0.066 8.431 8.370 -0.007 0.000 0.516 494 V N 4.441 124.389 119.914 0.056 0.000 2.226 494 V HA -0.520 nan 4.120 nan 0.000 0.254 494 V C 1.515 177.659 176.094 0.083 0.000 1.065 494 V CA 3.954 66.291 62.300 0.061 0.000 1.039 494 V CB -0.312 31.537 31.823 0.044 0.000 0.653 494 V HN -0.090 8.086 8.190 0.039 0.038 0.450 495 L N -3.089 118.186 121.223 0.088 0.000 2.109 495 L HA -0.355 nan 4.340 nan 0.000 0.207 495 L C 1.659 178.607 176.870 0.129 0.000 1.086 495 L CA 2.890 57.783 54.840 0.088 0.000 0.760 495 L CB -0.439 41.663 42.059 0.072 0.000 0.910 495 L HN -0.269 8.008 8.230 0.078 0.000 0.437 496 Y N -0.009 120.309 120.300 0.030 0.000 2.165 496 Y HA -0.614 nan 4.550 nan 0.000 0.286 496 Y C 1.641 177.584 175.900 0.072 0.000 1.155 496 Y CA 3.952 62.076 58.100 0.040 0.000 1.164 496 Y CB 0.103 38.569 38.460 0.010 0.000 0.978 496 Y HN -0.686 7.975 8.280 0.250 -0.231 0.513 497 N N -2.941 115.922 118.700 0.272 0.000 2.135 497 N HA -0.272 nan 4.740 nan 0.000 0.186 497 N C 2.917 178.510 175.510 0.138 0.000 1.027 497 N CA 2.662 55.835 53.050 0.205 0.000 0.849 497 N CB -0.687 37.891 38.487 0.152 0.000 1.002 497 N HN -0.433 8.108 8.380 0.264 -0.003 0.425 498 E N -0.316 119.939 120.200 0.092 0.000 2.209 498 E HA -0.219 nan 4.350 nan 0.000 0.196 498 E C 1.706 178.324 176.600 0.029 0.000 0.993 498 E CA 2.738 59.171 56.400 0.055 0.000 0.819 498 E CB -0.028 29.697 29.700 0.042 0.000 0.745 498 E HN -0.016 8.228 8.360 0.096 0.174 0.477 499 V N -8.519 111.403 119.914 0.015 0.000 3.644 499 V HA 0.135 nan 4.120 nan 0.000 0.267 499 V C -0.140 175.920 176.094 -0.057 0.000 1.277 499 V CA -0.449 61.831 62.300 -0.033 0.000 1.096 499 V CB -0.228 31.561 31.823 -0.057 0.000 0.828 499 V HN -0.592 7.580 8.190 0.027 0.034 0.446 500 Y N 2.341 122.557 120.300 -0.140 0.000 2.335 500 Y HA -0.074 nan 4.550 nan 0.000 0.331 500 Y C -0.656 175.203 175.900 -0.069 0.000 1.094 500 Y CA 0.374 58.384 58.100 -0.150 0.000 1.253 500 Y CB 1.018 39.387 38.460 -0.153 0.000 1.203 500 Y HN -0.664 7.559 8.280 0.110 0.122 0.508 501 E N 6.617 126.215 120.200 -1.003 0.000 2.183 501 E HA 0.223 nan 4.350 nan 0.000 0.271 501 E C -1.059 174.945 176.600 -0.993 0.000 0.919 501 E CA -0.965 55.019 56.400 -0.693 0.000 0.781 501 E CB 2.332 31.803 29.700 -0.380 0.000 1.140 501 E HN 0.162 7.878 8.360 -1.073 0.000 0.402 502 G N 2.314 110.871 108.800 -0.404 0.000 2.543 502 G HA2 0.351 nan 3.960 nan 0.000 0.290 502 G HA3 0.351 nan 3.960 nan 0.000 0.290 502 G C -1.663 173.194 174.900 -0.072 0.000 1.310 502 G CA -1.419 43.627 45.100 -0.091 0.000 1.025 502 G HN 0.198 8.366 8.290 -0.203 0.000 0.502 503 P HA 0.139 nan 4.420 nan 0.000 0.274 503 P C -0.871 176.421 177.300 -0.014 0.000 1.264 503 P CA -0.028 63.069 63.100 -0.006 0.000 0.795 503 P CB 0.662 32.373 31.700 0.018 0.000 1.064 504 T N -0.930 113.613 114.554 -0.018 0.000 2.916 504 T HA 0.226 nan 4.350 nan 0.000 0.305 504 T C -0.816 173.873 174.700 -0.020 0.000 1.119 504 T CA -0.506 61.583 62.100 -0.019 0.000 1.008 504 T CB 1.006 69.857 68.868 -0.028 0.000 1.129 504 T HN -0.247 7.983 8.240 -0.017 0.000 0.480 505 L N 1.517 122.728 121.223 -0.020 0.000 2.468 505 L HA 0.269 nan 4.340 nan 0.000 0.254 505 L C 0.807 177.648 176.870 -0.050 0.000 1.171 505 L CA 0.070 54.890 54.840 -0.034 0.000 0.809 505 L CB 0.865 42.905 42.059 -0.032 0.000 1.155 505 L HN 0.133 8.354 8.230 -0.014 0.000 0.473 506 T N -0.494 114.014 114.554 -0.077 0.000 2.734 506 T HA -0.113 nan 4.350 nan 0.000 0.314 506 T C -0.531 174.093 174.700 -0.126 0.000 1.057 506 T CA 0.421 62.459 62.100 -0.103 0.000 1.047 506 T CB 0.477 69.263 68.868 -0.136 0.000 0.991 506 T HN -0.118 8.074 8.240 -0.079 0.000 0.540 507 E N 1.454 121.581 120.200 -0.122 0.000 2.266 507 E HA 0.231 nan 4.350 nan 0.000 0.268 507 E C -1.075 175.464 176.600 -0.101 0.000 0.879 507 E CA -0.753 55.605 56.400 -0.070 0.000 0.762 507 E CB 1.928 31.623 29.700 -0.008 0.000 1.199 507 E HN 0.102 8.390 8.360 -0.121 0.000 0.422 508 F N 1.516 121.463 119.950 -0.005 0.000 2.406 508 F HA 0.065 nan 4.527 nan 0.000 0.327 508 F C 0.556 176.353 175.800 -0.005 0.000 1.153 508 F CA 0.096 58.093 58.000 -0.005 0.000 1.218 508 F CB 0.727 39.725 39.000 -0.004 0.000 1.215 508 F HN 0.133 8.595 8.300 0.269 0.000 0.570 509 E N 1.264 121.572 120.200 0.181 0.000 2.442 509 E HA -0.200 nan 4.350 nan 0.000 0.262 509 E C 0.098 176.759 176.600 0.102 0.000 1.004 509 E CA 0.735 57.199 56.400 0.105 0.000 0.928 509 E CB 0.500 30.252 29.700 0.087 0.000 0.937 509 E HN 0.046 8.517 8.360 0.184 0.000 0.446 510 D N 3.724 124.161 120.400 0.061 0.000 2.249 510 D HA 0.072 nan 4.640 nan 0.000 0.205 510 D C -0.501 175.814 176.300 0.024 0.000 0.962 510 D CA 2.212 56.236 54.000 0.042 0.000 0.860 510 D CB 0.303 nan 40.800 nan 0.000 0.955 510 D HN 0.385 8.784 8.370 0.049 0.000 0.505 511 A N 0.000 122.836 122.820 0.027 0.000 2.254 511 A HA 0.000 nan 4.320 nan 0.000 0.244 511 A CA 0.000 52.048 52.037 0.019 0.000 0.836 511 A CB 0.000 19.000 19.000 -0.000 0.000 0.831 511 A HN 0.000 8.134 8.150 0.033 0.035 0.486