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 3n6a_1_A DATA FIRST_RESID 67 DATA SEQUENCE GPKFPRVKNW ELGSITYDTL CAQSQQDGPC TPRRCLGSLM LPRXXXXXXX DATA SEQUENCE XXXPPAEQLL SQARDFINQY YSSIKRSGSQ AHEERLQEVE AEVASTGTYH DATA SEQUENCE LRESELVFGA KQAWRNAPRC VGRIQWGKLQ VFDARDCSSA QEMFTYICNH DATA SEQUENCE IKYATNRGNL RSAITVFPQR APGRGDFRIW NSQLVRYAGY RQQDGSVRGD DATA SEQUENCE PANVEITELC IQHGWTPGNG RFDVLPLLLQ APDEAPELFV LPPELVLEVP DATA SEQUENCE LEHPTLEWFA ALGLRWYALP AVSNMLLEIG GLEFSAAPFS GWYMSTEIGT DATA SEQUENCE RDLCDPHRYN ILEDVAVCMD LDTRTTSSLW KDKAAVEINL AVLHSFQLAK DATA SEQUENCE VTIVDHHAAT VSFMKHLDNE QKARGGCPAD WAWIVPPISG SLTPVFHQEM DATA SEQUENCE VNYILSPAFR YQPDPW 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 67 G HA2 0.000 nan 3.960 nan 0.000 0.244 67 G HA3 0.000 3.964 3.960 0.007 0.000 0.244 67 G C 0.000 174.843 174.900 -0.096 0.000 0.946 67 G CA 0.000 45.072 45.100 -0.046 0.000 0.502 68 P HA 0.399 nan 4.420 nan 0.000 0.264 68 P C -0.291 176.966 177.300 -0.071 0.000 1.193 68 P CA 0.215 63.178 63.100 -0.227 0.000 0.763 68 P CB 0.956 32.213 31.700 -0.739 0.000 0.810 69 K N 2.066 122.363 120.400 -0.170 0.000 2.878 69 K HA 0.152 4.476 4.320 0.007 0.000 0.242 69 K C -0.412 175.790 176.600 -0.664 0.000 0.985 69 K CA 0.276 56.318 56.287 -0.408 0.000 1.168 69 K CB -0.616 31.570 32.500 -0.522 0.000 0.993 69 K HN 0.378 nan 8.250 nan 0.000 0.476 70 F N -0.206 119.767 119.950 0.038 0.000 2.629 70 F HA 0.326 4.857 4.527 0.008 0.000 0.316 70 F C -2.168 173.737 175.800 0.176 0.000 1.081 70 F CA -3.155 54.893 58.000 0.080 0.000 0.954 70 F CB 1.031 40.080 39.000 0.080 0.000 1.337 70 F HN -0.165 nan 8.300 nan 0.000 0.474 71 P HA 0.005 nan 4.420 nan 0.000 0.263 71 P C -0.703 176.687 177.300 0.150 0.000 1.195 71 P CA -0.043 63.169 63.100 0.186 0.000 0.762 71 P CB 0.571 32.343 31.700 0.120 0.000 0.799 72 R N 2.875 123.383 120.500 0.013 0.000 2.308 72 R HA 0.392 4.737 4.340 0.007 0.000 0.305 72 R C -1.248 174.928 176.300 -0.207 0.000 1.053 72 R CA -0.469 55.416 56.100 -0.358 0.000 0.957 72 R CB 0.548 30.641 30.300 -0.345 0.000 1.022 72 R HN 0.244 nan 8.270 nan 0.000 0.461 73 V N 5.014 124.771 119.914 -0.261 0.000 2.483 73 V HA 0.346 4.471 4.120 0.007 0.000 0.297 73 V C -0.505 175.504 176.094 -0.141 0.000 1.027 73 V CA -0.778 61.456 62.300 -0.111 0.000 0.855 73 V CB 1.589 33.383 31.823 -0.048 0.000 0.995 73 V HN 0.764 nan 8.190 nan 0.000 0.424 74 K N 3.916 124.260 120.400 -0.095 0.000 2.270 74 K HA 0.461 4.786 4.320 0.007 0.000 0.255 74 K C -0.594 175.936 176.600 -0.116 0.000 0.936 74 K CA -0.655 55.502 56.287 -0.217 0.000 0.809 74 K CB 1.631 33.848 32.500 -0.470 0.000 1.131 74 K HN 0.692 nan 8.250 nan 0.000 0.427 75 N N 4.057 122.681 118.700 -0.126 0.000 2.422 75 N HA 0.095 4.840 4.740 0.007 0.000 0.266 75 N C -0.379 175.096 175.510 -0.057 0.000 1.007 75 N CA -0.313 52.756 53.050 0.031 0.000 0.941 75 N CB 0.513 39.037 38.487 0.060 0.000 1.115 75 N HN 0.720 nan 8.380 nan 0.000 0.492 76 W N 2.114 123.493 121.300 0.132 0.000 2.863 76 W HA 0.162 4.827 4.660 0.007 0.000 0.258 76 W C 2.094 178.652 176.519 0.066 0.000 1.298 76 W CA -0.149 57.262 57.345 0.110 0.000 1.451 76 W CB 0.295 29.846 29.460 0.152 0.000 1.107 76 W HN 0.680 nan 8.180 nan 0.000 0.641 77 E N 0.565 120.892 120.200 0.212 0.000 2.051 77 E HA -0.132 4.222 4.350 0.007 0.000 0.189 77 E C 1.744 178.363 176.600 0.032 0.000 0.979 77 E CA 1.113 57.532 56.400 0.030 0.000 0.803 77 E CB -0.261 29.396 29.700 -0.072 0.000 0.761 77 E HN 0.247 nan 8.360 nan 0.000 0.451 78 L N -0.803 120.439 121.223 0.032 0.000 2.416 78 L HA 0.269 4.614 4.340 0.007 0.000 0.216 78 L C 1.577 178.429 176.870 -0.031 0.000 1.098 78 L CA 0.487 55.329 54.840 0.003 0.000 0.840 78 L CB 0.407 42.471 42.059 0.010 0.000 0.981 78 L HN 0.462 nan 8.230 nan 0.000 0.462 79 G N 0.392 109.148 108.800 -0.073 0.000 2.143 79 G HA2 -0.296 3.668 3.960 0.007 0.000 0.249 79 G HA3 -0.296 3.668 3.960 0.007 0.000 0.249 79 G C 0.365 175.173 174.900 -0.155 0.000 0.981 79 G CA 0.396 45.410 45.100 -0.142 0.000 0.665 79 G HN 0.450 nan 8.290 nan 0.000 0.528 80 S N -0.213 115.414 115.700 -0.123 0.000 2.632 80 S HA 0.839 5.313 4.470 0.007 0.000 0.271 80 S C -0.015 174.495 174.600 -0.150 0.000 1.260 80 S CA -0.731 57.404 58.200 -0.108 0.000 1.010 80 S CB 2.172 65.335 63.200 -0.061 0.000 0.965 80 S HN 0.534 nan 8.310 nan 0.000 0.534 81 I N 1.774 122.264 120.570 -0.133 0.000 2.619 81 I HA 0.542 4.717 4.170 0.007 0.000 0.292 81 I C -0.007 176.017 176.117 -0.156 0.000 1.100 81 I CA -0.213 60.976 61.300 -0.184 0.000 1.043 81 I CB 1.724 39.615 38.000 -0.183 0.000 1.239 81 I HN 1.080 nan 8.210 nan 0.000 0.420 82 T N 1.833 116.251 114.554 -0.227 0.000 2.864 82 T HA 0.715 5.070 4.350 0.007 0.000 0.299 82 T C -1.391 173.109 174.700 -0.334 0.000 1.166 82 T CA -0.694 61.313 62.100 -0.156 0.000 1.007 82 T CB 2.000 70.828 68.868 -0.067 0.000 1.219 82 T HN 0.243 nan 8.240 nan 0.000 0.506 83 Y N 0.427 120.711 120.300 -0.027 0.000 2.341 83 Y HA 0.472 5.026 4.550 0.007 0.000 0.338 83 Y C 0.080 175.940 175.900 -0.067 0.000 0.965 83 Y CA -1.013 57.079 58.100 -0.014 0.000 1.108 83 Y CB 1.583 40.044 38.460 0.002 0.000 1.180 83 Y HN 0.720 nan 8.280 nan 0.000 0.458 84 D N 2.111 122.569 120.400 0.097 0.000 2.339 84 D HA 0.055 4.700 4.640 0.007 0.000 0.241 84 D C 0.771 177.031 176.300 -0.066 0.000 1.183 84 D CA 0.161 54.174 54.000 0.021 0.000 0.859 84 D CB 1.235 42.077 40.800 0.070 0.000 1.067 84 D HN 0.793 nan 8.370 nan 0.000 0.484 85 T N 1.166 115.561 114.554 -0.264 0.000 3.022 85 T HA -0.049 4.306 4.350 0.007 0.000 0.250 85 T C 1.833 176.409 174.700 -0.207 0.000 1.060 85 T CA -0.237 61.555 62.100 -0.514 0.000 1.013 85 T CB 0.058 68.421 68.868 -0.842 0.000 0.982 85 T HN 0.266 nan 8.240 nan 0.000 0.508 86 L N 2.424 123.566 121.223 -0.135 0.000 2.201 86 L HA 0.056 4.401 4.340 0.007 0.000 0.212 86 L C 2.612 179.391 176.870 -0.153 0.000 1.105 86 L CA 1.263 56.064 54.840 -0.064 0.000 0.775 86 L CB -0.972 41.117 42.059 0.051 0.000 0.913 86 L HN 0.653 nan 8.230 nan 0.000 0.440 87 C N -1.338 117.690 119.300 -0.452 0.000 2.409 87 C HA 0.011 4.475 4.460 0.007 0.000 0.284 87 C C 2.787 177.587 174.990 -0.317 0.000 1.354 87 C CA 0.207 58.682 59.018 -0.905 0.000 1.787 87 C CB -2.265 24.844 27.740 -1.051 0.000 1.900 87 C HN 0.594 nan 8.230 nan 0.000 0.520 88 A N -0.132 122.625 122.820 -0.105 0.000 2.125 88 A HA -0.101 4.223 4.320 0.007 0.000 0.219 88 A C 2.254 179.841 177.584 0.004 0.000 1.156 88 A CA 1.437 53.476 52.037 0.004 0.000 0.671 88 A CB -0.460 18.608 19.000 0.113 0.000 0.794 88 A HN 0.688 nan 8.150 nan 0.000 0.459 89 Q N -0.096 119.702 119.800 -0.003 0.000 2.432 89 Q HA 0.062 4.406 4.340 0.007 0.000 0.205 89 Q C 0.800 176.836 176.000 0.060 0.000 0.945 89 Q CA 0.347 56.172 55.803 0.037 0.000 0.924 89 Q CB -0.228 28.541 28.738 0.052 0.000 1.016 89 Q HN 0.524 nan 8.270 nan 0.000 0.503 90 S N 1.140 116.874 115.700 0.057 0.000 2.516 90 S HA 0.014 4.488 4.470 0.007 0.000 0.282 90 S C 0.915 175.555 174.600 0.068 0.000 1.286 90 S CA -0.012 58.248 58.200 0.100 0.000 1.066 90 S CB 0.426 63.702 63.200 0.127 0.000 0.884 90 S HN 0.150 nan 8.310 nan 0.000 0.491 91 Q N 2.852 122.694 119.800 0.070 0.000 2.247 91 Q HA 0.185 4.530 4.340 0.007 0.000 0.211 91 Q C 0.050 176.079 176.000 0.049 0.000 0.861 91 Q CA 0.102 55.937 55.803 0.054 0.000 0.949 91 Q CB 0.559 29.331 28.738 0.056 0.000 1.115 91 Q HN 0.799 nan 8.270 nan 0.000 0.507 92 Q N 1.266 121.100 119.800 0.056 0.000 2.304 92 Q HA 0.198 4.542 4.340 0.007 0.000 0.270 92 Q C -1.495 174.537 176.000 0.054 0.000 1.035 92 Q CA -0.508 55.323 55.803 0.048 0.000 0.781 92 Q CB 1.517 30.280 28.738 0.041 0.000 1.261 92 Q HN -0.089 nan 8.270 nan 0.000 0.444 93 D N 2.799 123.226 120.400 0.044 0.000 2.389 93 D HA 0.224 4.868 4.640 0.007 0.000 0.247 93 D C 0.400 176.729 176.300 0.048 0.000 1.128 93 D CA 0.362 54.390 54.000 0.046 0.000 0.884 93 D CB 1.288 42.109 40.800 0.034 0.000 1.194 93 D HN 0.690 nan 8.370 nan 0.000 0.441 94 G N 1.523 110.357 108.800 0.057 0.000 2.531 94 G HA2 0.300 4.265 3.960 0.007 0.000 0.253 94 G HA3 0.300 4.265 3.960 0.007 0.000 0.253 94 G C -1.428 173.499 174.900 0.044 0.000 1.439 94 G CA -0.477 44.655 45.100 0.053 0.000 1.056 94 G HN 0.386 nan 8.290 nan 0.000 0.555 95 P HA 0.237 nan 4.420 nan 0.000 0.264 95 P C 0.213 177.534 177.300 0.035 0.000 1.259 95 P CA -0.151 62.971 63.100 0.037 0.000 0.841 95 P CB 0.267 31.990 31.700 0.038 0.000 1.232 96 C N 0.833 120.157 119.300 0.040 0.000 2.500 96 C HA 0.641 5.105 4.460 0.007 0.000 0.367 96 C C 1.006 176.014 174.990 0.029 0.000 1.283 96 C CA 0.277 59.316 59.018 0.036 0.000 2.456 96 C CB 0.839 28.604 27.740 0.042 0.000 2.457 96 C HN 0.402 nan 8.230 nan 0.000 0.632 97 T N -1.959 112.609 114.554 0.023 0.000 2.816 97 T HA 0.404 4.758 4.350 0.007 0.000 0.299 97 T C -2.436 172.273 174.700 0.015 0.000 1.230 97 T CA -0.989 61.122 62.100 0.018 0.000 1.007 97 T CB 1.133 70.010 68.868 0.015 0.000 1.289 97 T HN 0.271 nan 8.240 nan 0.000 0.508 98 P HA -0.041 nan 4.420 nan 0.000 0.217 98 P C 1.497 178.801 177.300 0.007 0.000 1.148 98 P CA 1.020 64.125 63.100 0.009 0.000 0.828 98 P CB 0.103 31.807 31.700 0.006 0.000 0.783 99 R N -0.821 119.683 120.500 0.007 0.000 2.073 99 R HA 0.005 4.350 4.340 0.007 0.000 0.229 99 R C 0.873 177.177 176.300 0.006 0.000 1.120 99 R CA 0.884 56.988 56.100 0.006 0.000 0.967 99 R CB -0.097 30.206 30.300 0.006 0.000 0.862 99 R HN 0.230 nan 8.270 nan 0.000 0.436 100 R N 0.130 120.636 120.500 0.009 0.000 2.535 100 R HA 0.141 4.485 4.340 0.007 0.000 0.274 100 R C -1.475 174.834 176.300 0.014 0.000 1.090 100 R CA -0.719 55.386 56.100 0.009 0.000 0.930 100 R CB 0.198 30.504 30.300 0.009 0.000 1.223 100 R HN 0.028 nan 8.270 nan 0.000 0.441 101 C N 4.235 123.543 119.300 0.013 0.000 2.482 101 C HA 0.477 4.942 4.460 0.007 0.000 0.378 101 C C 0.391 175.396 174.990 0.025 0.000 1.284 101 C CA -0.473 58.556 59.018 0.019 0.000 1.826 101 C CB -0.784 26.963 27.740 0.012 0.000 2.473 101 C HN 0.687 nan 8.230 nan 0.000 0.562 102 L N 6.248 127.492 121.223 0.035 0.000 3.110 102 L HA 0.345 4.689 4.340 0.007 0.000 0.266 102 L C 1.969 178.873 176.870 0.057 0.000 1.257 102 L CA 0.718 55.583 54.840 0.041 0.000 1.038 102 L CB -0.142 41.939 42.059 0.036 0.000 1.395 102 L HN 1.027 nan 8.230 nan 0.000 0.566 103 G N -0.622 108.215 108.800 0.063 0.000 2.470 103 G HA2 -0.247 3.718 3.960 0.007 0.000 0.220 103 G HA3 -0.247 3.718 3.960 0.007 0.000 0.220 103 G C 1.478 176.451 174.900 0.121 0.000 1.121 103 G CA 1.096 46.248 45.100 0.087 0.000 0.766 103 G HN 0.515 nan 8.290 nan 0.000 0.553 104 S N -0.264 115.503 115.700 0.111 0.000 2.593 104 S HA 0.308 4.782 4.470 0.007 0.000 0.217 104 S C 0.896 175.584 174.600 0.147 0.000 0.966 104 S CA -0.488 57.799 58.200 0.144 0.000 0.914 104 S CB -0.148 63.117 63.200 0.108 0.000 0.776 104 S HN 0.138 nan 8.310 nan 0.000 0.523 105 L N 2.256 123.546 121.223 0.113 0.000 2.410 105 L HA 0.199 4.544 4.340 0.007 0.000 0.273 105 L C 1.731 178.676 176.870 0.125 0.000 1.152 105 L CA -0.390 54.508 54.840 0.098 0.000 0.855 105 L CB 0.410 42.505 42.059 0.061 0.000 1.129 105 L HN 0.255 nan 8.230 nan 0.000 0.463 106 M N 3.883 123.564 119.600 0.135 0.000 2.066 106 M HA -0.068 4.416 4.480 0.007 0.000 0.259 106 M C 0.592 176.906 176.300 0.023 0.000 1.074 106 M CA 1.690 57.080 55.300 0.150 0.000 1.114 106 M CB -0.436 32.239 32.600 0.125 0.000 1.306 106 M HN 0.437 nan 8.290 nan 0.000 0.411 107 L N 0.752 121.950 121.223 -0.042 0.000 2.294 107 L HA 0.449 4.794 4.340 0.007 0.000 0.283 107 L C -2.423 174.443 176.870 -0.006 0.000 1.015 107 L CA -1.979 52.824 54.840 -0.062 0.000 0.831 107 L CB 0.292 42.262 42.059 -0.148 0.000 1.217 107 L HN -0.013 nan 8.230 nan 0.000 0.420 108 P HA 0.421 nan 4.420 nan 0.000 0.281 108 P C -0.386 176.925 177.300 0.018 0.000 1.249 108 P CA -0.825 62.290 63.100 0.024 0.000 0.810 108 P CB 0.956 32.677 31.700 0.036 0.000 1.008 121 P HA 0.323 nan 4.420 nan 0.000 0.267 121 P C 0.575 177.883 177.300 0.013 0.000 1.209 121 P CA -0.196 62.910 63.100 0.009 0.000 0.763 121 P CB 0.874 32.579 31.700 0.008 0.000 0.816 122 A N 4.009 126.837 122.820 0.013 0.000 1.877 122 A HA -0.192 4.132 4.320 0.007 0.000 0.216 122 A C 2.022 179.615 177.584 0.015 0.000 1.186 122 A CA 1.269 53.316 52.037 0.016 0.000 0.620 122 A CB -0.630 18.378 19.000 0.013 0.000 0.822 122 A HN 0.608 nan 8.150 nan 0.000 0.443 123 E N -0.577 119.629 120.200 0.011 0.000 2.077 123 E HA -0.258 4.096 4.350 0.007 0.000 0.193 123 E C 2.186 178.795 176.600 0.014 0.000 0.989 123 E CA 1.638 58.044 56.400 0.009 0.000 0.800 123 E CB -0.379 29.326 29.700 0.007 0.000 0.746 123 E HN 0.798 nan 8.360 nan 0.000 0.452 124 Q N 1.351 121.162 119.800 0.017 0.000 2.045 124 Q HA -0.159 4.185 4.340 0.007 0.000 0.206 124 Q C 2.211 178.230 176.000 0.032 0.000 0.991 124 Q CA 1.495 57.312 55.803 0.022 0.000 0.851 124 Q CB -0.571 28.178 28.738 0.019 0.000 0.911 124 Q HN 0.338 nan 8.270 nan 0.000 0.418 125 L N -0.727 120.518 121.223 0.036 0.000 2.056 125 L HA -0.130 4.214 4.340 0.007 0.000 0.207 125 L C 2.064 178.971 176.870 0.061 0.000 1.078 125 L CA 0.839 55.715 54.840 0.060 0.000 0.749 125 L CB -0.260 41.839 42.059 0.068 0.000 0.901 125 L HN 0.385 nan 8.230 nan 0.000 0.433 126 L N -0.380 120.859 121.223 0.026 0.000 2.046 126 L HA -0.205 4.139 4.340 0.007 0.000 0.208 126 L C 2.920 179.792 176.870 0.002 0.000 1.077 126 L CA 2.153 56.987 54.840 -0.010 0.000 0.747 126 L CB -0.744 41.306 42.059 -0.017 0.000 0.896 126 L HN 0.517 nan 8.230 nan 0.000 0.432 127 S N -1.863 113.850 115.700 0.022 0.000 2.402 127 S HA -0.219 4.255 4.470 0.007 0.000 0.229 127 S C 1.918 176.555 174.600 0.062 0.000 1.021 127 S CA 1.077 59.297 58.200 0.033 0.000 0.974 127 S CB -0.355 62.863 63.200 0.029 0.000 0.800 127 S HN 0.572 nan 8.310 nan 0.000 0.484 128 Q N 0.674 120.519 119.800 0.075 0.000 2.079 128 Q HA 0.050 4.394 4.340 0.007 0.000 0.200 128 Q C 2.613 178.714 176.000 0.168 0.000 0.974 128 Q CA 1.479 57.348 55.803 0.110 0.000 0.840 128 Q CB -0.499 28.297 28.738 0.098 0.000 0.898 128 Q HN 0.789 nan 8.270 nan 0.000 0.430 129 A N 0.986 123.893 122.820 0.146 0.000 1.902 129 A HA -0.191 4.134 4.320 0.007 0.000 0.217 129 A C 1.961 179.628 177.584 0.138 0.000 1.181 129 A CA 1.266 53.396 52.037 0.155 0.000 0.623 129 A CB -0.406 18.498 19.000 -0.159 0.000 0.818 129 A HN 0.214 nan 8.150 nan 0.000 0.443 130 R N -0.702 119.836 120.500 0.063 0.000 2.105 130 R HA -0.178 4.167 4.340 0.007 0.000 0.239 130 R C 1.971 178.345 176.300 0.123 0.000 1.135 130 R CA 1.697 57.835 56.100 0.064 0.000 0.967 130 R CB -0.388 29.926 30.300 0.024 0.000 0.861 130 R HN 0.732 nan 8.270 nan 0.000 0.442 131 D N -0.099 120.387 120.400 0.143 0.000 2.097 131 D HA -0.184 4.460 4.640 0.007 0.000 0.197 131 D C 1.652 178.078 176.300 0.210 0.000 0.984 131 D CA 0.851 54.944 54.000 0.155 0.000 0.826 131 D CB -0.049 40.838 40.800 0.144 0.000 0.973 131 D HN 0.114 nan 8.370 nan 0.000 0.460 132 F N 0.944 120.985 119.950 0.152 0.000 2.075 132 F HA -0.122 4.409 4.527 0.006 0.000 0.297 132 F C 1.934 177.878 175.800 0.240 0.000 1.113 132 F CA 1.106 59.231 58.000 0.210 0.000 1.218 132 F CB -0.373 38.759 39.000 0.220 0.000 0.984 132 F HN -0.033 nan 8.300 nan 0.000 0.472 133 I N 1.378 121.950 120.570 0.003 0.000 2.151 133 I HA -0.362 3.812 4.170 0.007 0.000 0.243 133 I C 2.087 178.242 176.117 0.062 0.000 1.080 133 I CA 1.418 62.720 61.300 0.003 0.000 1.339 133 I CB -1.823 36.300 38.000 0.205 0.000 1.039 133 I HN 0.257 nan 8.210 nan 0.000 0.409 134 N N 0.898 119.674 118.700 0.126 0.000 2.094 134 N HA -0.220 4.524 4.740 0.007 0.000 0.191 134 N C 1.815 177.273 175.510 -0.087 0.000 1.023 134 N CA 1.207 54.299 53.050 0.071 0.000 0.857 134 N CB -0.489 38.084 38.487 0.144 0.000 1.013 134 N HN 0.530 nan 8.380 nan 0.000 0.426 135 Q N -0.686 119.079 119.800 -0.059 0.000 2.096 135 Q HA -0.190 4.154 4.340 0.007 0.000 0.204 135 Q C 1.798 177.596 176.000 -0.336 0.000 0.982 135 Q CA 1.326 57.105 55.803 -0.040 0.000 0.850 135 Q CB -0.245 28.606 28.738 0.188 0.000 0.901 135 Q HN 0.488 nan 8.270 nan 0.000 0.422 136 Y N -0.076 119.768 120.300 -0.760 0.000 2.133 136 Y HA -0.267 4.286 4.550 0.006 0.000 0.287 136 Y C 1.726 177.081 175.900 -0.907 0.000 1.134 136 Y CA 1.510 58.871 58.100 -1.231 0.000 1.133 136 Y CB -0.499 37.280 38.460 -1.135 0.000 0.987 136 Y HN 0.064 nan 8.280 nan 0.000 0.502 137 Y N -0.447 119.447 120.300 -0.677 0.000 2.274 137 Y HA -0.217 4.338 4.550 0.008 0.000 0.290 137 Y C 2.893 178.462 175.900 -0.552 0.000 1.145 137 Y CA 1.696 59.385 58.100 -0.686 0.000 1.203 137 Y CB -0.717 37.232 38.460 -0.853 0.000 0.984 137 Y HN 0.095 nan 8.280 nan 0.000 0.533 138 S N -0.603 114.890 115.700 -0.344 0.000 2.356 138 S HA -0.223 4.252 4.470 0.007 0.000 0.223 138 S C 2.278 176.719 174.600 -0.264 0.000 1.032 138 S CA 1.598 59.659 58.200 -0.231 0.000 1.005 138 S CB -0.589 62.528 63.200 -0.138 0.000 0.867 138 S HN 0.639 nan 8.310 nan 0.000 0.449 139 S N 1.607 117.071 115.700 -0.394 0.000 2.481 139 S HA 0.005 4.480 4.470 0.007 0.000 0.231 139 S C 1.518 175.914 174.600 -0.339 0.000 0.996 139 S CA 0.850 58.874 58.200 -0.293 0.000 0.942 139 S CB -0.678 62.358 63.200 -0.273 0.000 0.768 139 S HN 0.719 nan 8.310 nan 0.000 0.520 140 I N -3.579 116.689 120.570 -0.504 0.000 3.976 140 I HA 0.442 4.617 4.170 0.007 0.000 0.337 140 I C -0.275 175.695 176.117 -0.246 0.000 1.359 140 I CA -0.516 60.546 61.300 -0.397 0.000 1.098 140 I CB 0.118 37.778 38.000 -0.567 0.000 1.027 140 I HN -0.124 nan 8.210 nan 0.000 0.394 141 K N 2.038 122.313 120.400 -0.209 0.000 3.167 141 K HA -0.120 4.205 4.320 0.007 0.000 0.272 141 K C -0.172 176.380 176.600 -0.080 0.000 1.137 141 K CA 0.448 56.663 56.287 -0.121 0.000 0.800 141 K CB -1.781 30.667 32.500 -0.087 0.000 1.253 141 K HN 0.540 nan 8.250 nan 0.000 0.497 142 R N -0.552 119.905 120.500 -0.071 0.000 2.690 142 R HA 0.143 4.487 4.340 0.007 0.000 0.419 142 R C -0.141 176.170 176.300 0.018 0.000 1.090 142 R CA -0.345 55.765 56.100 0.016 0.000 1.064 142 R CB 0.806 31.174 30.300 0.113 0.000 1.391 142 R HN 0.019 nan 8.270 nan 0.000 0.586 143 S N -0.029 115.652 115.700 -0.031 0.000 2.498 143 S HA 0.340 4.814 4.470 0.007 0.000 0.281 143 S C 1.223 175.904 174.600 0.135 0.000 1.265 143 S CA 1.236 59.437 58.200 0.002 0.000 1.071 143 S CB 0.625 63.809 63.200 -0.026 0.000 0.894 143 S HN 0.747 nan 8.310 nan 0.000 0.491 144 G N 2.940 111.948 108.800 0.347 0.000 2.195 144 G HA2 -0.274 3.690 3.960 0.007 0.000 0.246 144 G HA3 -0.274 3.690 3.960 0.007 0.000 0.246 144 G C 0.327 175.235 174.900 0.013 0.000 0.984 144 G CA 0.254 45.412 45.100 0.096 0.000 0.633 144 G HN 1.176 nan 8.290 nan 0.000 0.525 145 S N 0.171 115.893 115.700 0.037 0.000 2.617 145 S HA 0.414 4.889 4.470 0.007 0.000 0.259 145 S C 1.789 176.351 174.600 -0.062 0.000 1.301 145 S CA 0.843 59.037 58.200 -0.011 0.000 0.984 145 S CB 1.307 64.513 63.200 0.009 0.000 0.954 145 S HN 0.954 nan 8.310 nan 0.000 0.572 146 Q N 1.037 120.808 119.800 -0.049 0.000 2.167 146 Q HA -0.026 4.318 4.340 0.007 0.000 0.202 146 Q C 2.023 177.980 176.000 -0.072 0.000 0.970 146 Q CA 2.082 57.850 55.803 -0.058 0.000 0.855 146 Q CB -1.451 27.268 28.738 -0.031 0.000 0.911 146 Q HN 0.872 nan 8.270 nan 0.000 0.438 147 A N 0.904 123.691 122.820 -0.054 0.000 1.968 147 A HA -0.158 4.167 4.320 0.007 0.000 0.217 147 A C 2.110 179.528 177.584 -0.276 0.000 1.169 147 A CA 1.225 53.239 52.037 -0.039 0.000 0.638 147 A CB -0.967 18.099 19.000 0.111 0.000 0.812 147 A HN 0.694 nan 8.150 nan 0.000 0.446 148 H N -0.536 118.143 119.070 -0.652 0.000 2.326 148 H HA -0.073 4.488 4.556 0.008 0.000 0.301 148 H C 1.667 176.688 175.328 -0.512 0.000 1.081 148 H CA 1.236 56.634 56.048 -1.084 0.000 1.334 148 H CB 0.170 29.449 29.762 -0.804 0.000 1.385 148 H HN 0.415 nan 8.280 nan 0.000 0.504 149 E N 0.642 120.614 120.200 -0.379 0.000 2.208 149 E HA -0.125 4.229 4.350 0.007 0.000 0.193 149 E C 1.990 178.480 176.600 -0.183 0.000 0.988 149 E CA 0.605 56.816 56.400 -0.315 0.000 0.828 149 E CB 0.005 29.565 29.700 -0.234 0.000 0.763 149 E HN 0.678 nan 8.360 nan 0.000 0.478 150 E N 0.538 120.658 120.200 -0.134 0.000 2.072 150 E HA -0.142 4.212 4.350 0.007 0.000 0.190 150 E C 2.143 178.722 176.600 -0.035 0.000 0.982 150 E CA 0.593 56.954 56.400 -0.065 0.000 0.803 150 E CB 0.053 29.734 29.700 -0.031 0.000 0.755 150 E HN -0.095 nan 8.360 nan 0.000 0.453 151 R N 1.189 121.671 120.500 -0.029 0.000 2.092 151 R HA -0.070 4.274 4.340 0.007 0.000 0.231 151 R C 2.034 178.347 176.300 0.021 0.000 1.119 151 R CA 1.086 57.219 56.100 0.056 0.000 0.970 151 R CB -0.629 29.792 30.300 0.202 0.000 0.864 151 R HN 0.160 nan 8.270 nan 0.000 0.440 152 L N 0.171 121.367 121.223 -0.045 0.000 2.012 152 L HA -0.253 4.091 4.340 0.007 0.000 0.210 152 L C 2.580 179.408 176.870 -0.070 0.000 1.073 152 L CA 1.870 56.668 54.840 -0.071 0.000 0.748 152 L CB -0.463 41.507 42.059 -0.149 0.000 0.891 152 L HN 0.358 nan 8.230 nan 0.000 0.431 153 Q N -0.616 119.144 119.800 -0.066 0.000 2.084 153 Q HA -0.270 4.075 4.340 0.007 0.000 0.202 153 Q C 2.149 178.133 176.000 -0.025 0.000 0.978 153 Q CA 1.633 57.407 55.803 -0.048 0.000 0.844 153 Q CB -0.104 28.607 28.738 -0.045 0.000 0.898 153 Q HN 0.474 nan 8.270 nan 0.000 0.426 154 E N 0.065 120.261 120.200 -0.007 0.000 2.153 154 E HA -0.161 4.194 4.350 0.007 0.000 0.194 154 E C 1.899 178.511 176.600 0.019 0.000 0.988 154 E CA 0.826 57.239 56.400 0.022 0.000 0.811 154 E CB 0.257 29.986 29.700 0.049 0.000 0.746 154 E HN 0.129 nan 8.360 nan 0.000 0.466 155 V N 2.142 122.039 119.914 -0.029 0.000 2.283 155 V HA -0.245 3.880 4.120 0.007 0.000 0.243 155 V C 2.309 178.329 176.094 -0.124 0.000 1.039 155 V CA 2.191 64.414 62.300 -0.128 0.000 1.016 155 V CB -0.522 31.125 31.823 -0.294 0.000 0.650 155 V HN 0.418 nan 8.190 nan 0.000 0.449 156 E N 1.317 121.460 120.200 -0.096 0.000 2.077 156 E HA -0.213 4.142 4.350 0.007 0.000 0.193 156 E C 2.235 178.822 176.600 -0.021 0.000 0.989 156 E CA 1.480 57.844 56.400 -0.061 0.000 0.800 156 E CB -0.562 29.106 29.700 -0.053 0.000 0.746 156 E HN 0.496 nan 8.360 nan 0.000 0.452 157 A N 1.963 124.778 122.820 -0.009 0.000 1.892 157 A HA -0.288 4.037 4.320 0.007 0.000 0.218 157 A C 2.141 179.744 177.584 0.032 0.000 1.188 157 A CA 1.939 53.983 52.037 0.012 0.000 0.631 157 A CB -0.655 18.354 19.000 0.016 0.000 0.822 157 A HN 0.335 nan 8.150 nan 0.000 0.447 158 E N -0.620 119.611 120.200 0.051 0.000 2.051 158 E HA -0.136 4.218 4.350 0.007 0.000 0.192 158 E C 2.066 178.715 176.600 0.083 0.000 0.991 158 E CA 1.453 57.908 56.400 0.092 0.000 0.799 158 E CB -0.187 29.608 29.700 0.159 0.000 0.748 158 E HN 0.401 nan 8.360 nan 0.000 0.449 159 V N 1.263 121.215 119.914 0.063 0.000 2.343 159 V HA -0.293 3.831 4.120 0.007 0.000 0.247 159 V C 2.387 178.503 176.094 0.036 0.000 1.051 159 V CA 1.707 64.040 62.300 0.056 0.000 1.036 159 V CB -0.841 31.002 31.823 0.034 0.000 0.654 159 V HN 0.339 nan 8.190 nan 0.000 0.451 160 A N 1.008 123.842 122.820 0.024 0.000 1.896 160 A HA -0.305 4.019 4.320 0.007 0.000 0.220 160 A C 2.483 180.083 177.584 0.025 0.000 1.206 160 A CA 3.119 55.167 52.037 0.019 0.000 0.647 160 A CB -0.888 18.119 19.000 0.013 0.000 0.828 160 A HN 0.722 nan 8.150 nan 0.000 0.455 161 S N -2.285 113.435 115.700 0.034 0.000 2.478 161 S HA 0.005 4.480 4.470 0.007 0.000 0.222 161 S C 1.506 176.130 174.600 0.041 0.000 1.008 161 S CA 1.422 59.644 58.200 0.036 0.000 0.928 161 S CB -0.307 62.916 63.200 0.039 0.000 0.781 161 S HN 0.912 nan 8.310 nan 0.000 0.518 162 T N -4.116 110.467 114.554 0.049 0.000 2.969 162 T HA 0.540 4.894 4.350 0.007 0.000 0.258 162 T C 1.581 176.304 174.700 0.037 0.000 0.962 162 T CA 0.806 62.936 62.100 0.050 0.000 0.903 162 T CB 0.176 69.088 68.868 0.072 0.000 1.177 162 T HN 1.120 nan 8.240 nan 0.000 0.511 163 G N 0.460 109.283 108.800 0.038 0.000 2.199 163 G HA2 -0.201 3.764 3.960 0.007 0.000 0.254 163 G HA3 -0.201 3.764 3.960 0.007 0.000 0.254 163 G C 0.185 175.104 174.900 0.031 0.000 0.982 163 G CA 0.532 45.650 45.100 0.030 0.000 0.632 163 G HN 0.956 nan 8.290 nan 0.000 0.529 164 T N -1.089 113.482 114.554 0.028 0.000 2.742 164 T HA 0.765 5.120 4.350 0.007 0.000 0.282 164 T C -0.817 173.926 174.700 0.071 0.000 1.025 164 T CA 0.329 62.424 62.100 -0.009 0.000 1.020 164 T CB 1.571 70.344 68.868 -0.158 0.000 1.317 164 T HN 1.335 nan 8.240 nan 0.000 0.538 165 Y N -1.064 119.096 120.300 -0.233 0.000 2.829 165 Y HA 0.761 5.315 4.550 0.007 0.000 0.322 165 Y C -1.151 174.485 175.900 -0.440 0.000 1.357 165 Y CA -1.202 56.779 58.100 -0.198 0.000 1.081 165 Y CB 0.895 39.337 38.460 -0.030 0.000 1.339 165 Y HN 0.640 nan 8.280 nan 0.000 0.469 166 H N 0.863 119.932 119.070 -0.002 0.000 2.768 166 H HA 0.551 5.111 4.556 0.008 0.000 0.371 166 H C -1.171 174.193 175.328 0.059 0.000 1.151 166 H CA -0.863 55.137 56.048 -0.080 0.000 1.165 166 H CB 2.583 32.350 29.762 0.009 0.000 1.722 166 H HN 0.599 nan 8.280 nan 0.000 0.543 167 L N 2.012 123.318 121.223 0.138 0.000 2.375 167 L HA 0.371 4.715 4.340 0.007 0.000 0.271 167 L C 0.994 177.939 176.870 0.124 0.000 1.107 167 L CA -0.609 54.331 54.840 0.168 0.000 0.806 167 L CB 0.698 42.827 42.059 0.116 0.000 1.146 167 L HN 0.328 nan 8.230 nan 0.000 0.447 168 R N 1.304 121.854 120.500 0.083 0.000 2.641 168 R HA 0.004 4.348 4.340 0.007 0.000 0.269 168 R C 1.148 177.444 176.300 -0.008 0.000 1.074 168 R CA -0.336 55.779 56.100 0.026 0.000 1.133 168 R CB 0.791 31.081 30.300 -0.016 0.000 1.029 168 R HN 0.696 nan 8.270 nan 0.000 0.488 169 E N 1.389 121.585 120.200 -0.007 0.000 2.086 169 E HA -0.277 4.077 4.350 0.007 0.000 0.200 169 E C 1.460 178.047 176.600 -0.020 0.000 1.012 169 E CA 2.334 58.724 56.400 -0.018 0.000 0.812 169 E CB 0.057 29.750 29.700 -0.012 0.000 0.743 169 E HN 0.679 nan 8.360 nan 0.000 0.453 170 S N -0.335 115.352 115.700 -0.022 0.000 2.453 170 S HA -0.114 4.361 4.470 0.007 0.000 0.231 170 S C 1.676 176.271 174.600 -0.007 0.000 1.005 170 S CA 1.016 59.227 58.200 0.019 0.000 0.949 170 S CB -0.138 63.103 63.200 0.069 0.000 0.774 170 S HN 0.330 nan 8.310 nan 0.000 0.510 171 E N 0.830 120.915 120.200 -0.192 0.000 2.072 171 E HA -0.048 4.306 4.350 0.007 0.000 0.191 171 E C 1.982 178.716 176.600 0.224 0.000 0.985 171 E CA 1.105 57.433 56.400 -0.120 0.000 0.801 171 E CB -0.321 29.313 29.700 -0.110 0.000 0.750 171 E HN 0.425 nan 8.360 nan 0.000 0.452 172 L N 0.852 122.108 121.223 0.056 0.000 2.012 172 L HA -0.185 4.160 4.340 0.007 0.000 0.210 172 L C 2.220 179.078 176.870 -0.020 0.000 1.073 172 L CA 1.455 56.264 54.840 -0.051 0.000 0.748 172 L CB -0.366 41.607 42.059 -0.143 0.000 0.891 172 L HN -0.036 nan 8.230 nan 0.000 0.431 173 V N -0.488 119.446 119.914 0.032 0.000 2.332 173 V HA -0.319 3.806 4.120 0.007 0.000 0.248 173 V C 2.306 178.495 176.094 0.158 0.000 1.055 173 V CA 2.168 64.500 62.300 0.053 0.000 1.038 173 V CB -0.979 30.876 31.823 0.053 0.000 0.651 173 V HN 0.596 nan 8.190 nan 0.000 0.450 174 F N 1.953 121.984 119.950 0.135 0.000 2.163 174 F HA 0.077 4.608 4.527 0.006 0.000 0.297 174 F C 2.156 178.094 175.800 0.231 0.000 1.094 174 F CA 1.619 59.754 58.000 0.226 0.000 1.290 174 F CB -0.801 38.408 39.000 0.349 0.000 1.017 174 F HN 0.104 nan 8.300 nan 0.000 0.483 175 G N 0.022 108.896 108.800 0.123 0.000 2.402 175 G HA2 -0.175 3.789 3.960 0.007 0.000 0.216 175 G HA3 -0.175 3.789 3.960 0.007 0.000 0.216 175 G C 1.840 176.584 174.900 -0.259 0.000 1.162 175 G CA 0.771 45.807 45.100 -0.106 0.000 0.777 175 G HN 0.620 nan 8.290 nan 0.000 0.539 176 A N 1.059 123.763 122.820 -0.194 0.000 1.892 176 A HA -0.091 4.234 4.320 0.007 0.000 0.218 176 A C 2.306 179.846 177.584 -0.073 0.000 1.188 176 A CA 2.133 54.059 52.037 -0.185 0.000 0.631 176 A CB -0.422 18.510 19.000 -0.113 0.000 0.822 176 A HN 0.387 nan 8.150 nan 0.000 0.447 177 K N -1.267 119.144 120.400 0.019 0.000 2.097 177 K HA -0.175 4.150 4.320 0.007 0.000 0.205 177 K C 2.380 179.020 176.600 0.067 0.000 1.050 177 K CA 1.551 57.964 56.287 0.210 0.000 0.938 177 K CB -0.129 32.556 32.500 0.309 0.000 0.718 177 K HN 0.466 nan 8.250 nan 0.000 0.442 178 Q N 0.695 120.356 119.800 -0.231 0.000 2.079 178 Q HA -0.079 4.265 4.340 0.007 0.000 0.200 178 Q C 1.911 177.725 176.000 -0.309 0.000 0.974 178 Q CA 1.737 57.298 55.803 -0.402 0.000 0.840 178 Q CB -0.245 28.114 28.738 -0.632 0.000 0.898 178 Q HN 0.332 nan 8.270 nan 0.000 0.430 179 A N -0.407 122.206 122.820 -0.345 0.000 1.917 179 A HA -0.219 4.105 4.320 0.007 0.000 0.219 179 A C 1.841 179.322 177.584 -0.173 0.000 1.182 179 A CA 1.672 53.412 52.037 -0.495 0.000 0.633 179 A CB -1.277 17.054 19.000 -1.114 0.000 0.819 179 A HN 0.718 nan 8.150 nan 0.000 0.448 180 W N 0.719 121.945 121.300 -0.124 0.000 2.378 180 W HA -0.129 4.534 4.660 0.005 0.000 0.313 180 W C 2.377 178.855 176.519 -0.067 0.000 1.197 180 W CA 1.536 58.920 57.345 0.066 0.000 1.304 180 W CB -0.869 28.643 29.460 0.087 0.000 1.148 180 W HN 0.369 nan 8.180 nan 0.000 0.494 181 R N 0.276 120.678 120.500 -0.163 0.000 2.140 181 R HA -0.252 4.093 4.340 0.007 0.000 0.250 181 R C 1.702 177.826 176.300 -0.293 0.000 1.150 181 R CA 2.097 57.890 56.100 -0.511 0.000 0.966 181 R CB -0.654 29.028 30.300 -1.031 0.000 0.869 181 R HN 0.140 nan 8.270 nan 0.000 0.445 182 N N 0.015 118.591 118.700 -0.206 0.000 2.463 182 N HA 0.012 4.757 4.740 0.007 0.000 0.181 182 N C -0.343 175.103 175.510 -0.106 0.000 1.078 182 N CA 0.765 53.715 53.050 -0.166 0.000 0.902 182 N CB 0.250 38.637 38.487 -0.166 0.000 0.970 182 N HN 0.202 nan 8.380 nan 0.000 0.451 183 A N 1.943 124.751 122.820 -0.019 0.000 2.475 183 A HA 0.234 4.559 4.320 0.007 0.000 0.293 183 A C -1.279 176.286 177.584 -0.031 0.000 1.252 183 A CA -0.955 51.085 52.037 0.006 0.000 0.920 183 A CB 0.262 19.331 19.000 0.115 0.000 1.125 183 A HN 0.015 nan 8.150 nan 0.000 0.528 184 P HA -0.123 nan 4.420 nan 0.000 0.221 184 P C 1.074 178.341 177.300 -0.054 0.000 1.145 184 P CA 1.181 64.233 63.100 -0.080 0.000 0.795 184 P CB 0.170 31.794 31.700 -0.125 0.000 0.775 185 R N -2.345 118.093 120.500 -0.103 0.000 2.334 185 R HA 0.170 4.514 4.340 0.007 0.000 0.216 185 R C 0.153 176.461 176.300 0.013 0.000 0.905 185 R CA -0.164 55.885 56.100 -0.086 0.000 1.064 185 R CB -0.174 29.886 30.300 -0.400 0.000 1.046 185 R HN 0.183 nan 8.270 nan 0.000 0.508 186 C N 0.204 119.501 119.300 -0.005 0.000 2.295 186 C HA 0.276 4.741 4.460 0.007 0.000 0.331 186 C C 1.788 176.720 174.990 -0.097 0.000 1.280 186 C CA -0.686 58.346 59.018 0.023 0.000 1.746 186 C CB 0.939 28.764 27.740 0.141 0.000 2.328 186 C HN 0.250 nan 8.230 nan 0.000 0.521 187 V N 5.785 125.593 119.914 -0.178 0.000 3.406 187 V HA 0.215 4.340 4.120 0.007 0.000 0.263 187 V C 1.840 177.888 176.094 -0.077 0.000 1.172 187 V CA 1.976 64.034 62.300 -0.404 0.000 1.140 187 V CB -0.086 31.531 31.823 -0.343 0.000 0.784 187 V HN 1.099 nan 8.190 nan 0.000 0.467 188 G N -0.579 108.248 108.800 0.046 0.000 3.262 188 G HA2 -0.012 3.953 3.960 0.007 0.000 0.228 188 G HA3 -0.012 3.953 3.960 0.007 0.000 0.228 188 G C 1.303 176.237 174.900 0.058 0.000 1.197 188 G CA -0.281 44.886 45.100 0.111 0.000 0.819 188 G HN 0.439 nan 8.290 nan 0.000 0.531 189 R N -0.278 120.156 120.500 -0.109 0.000 2.316 189 R HA 0.200 4.545 4.340 0.007 0.000 0.202 189 R C 1.965 177.862 176.300 -0.673 0.000 1.029 189 R CA -0.016 55.739 56.100 -0.575 0.000 1.018 189 R CB -0.118 29.805 30.300 -0.628 0.000 0.888 189 R HN 0.408 nan 8.270 nan 0.000 0.471 190 I N 0.944 121.307 120.570 -0.345 0.000 2.700 190 I HA -0.247 3.928 4.170 0.007 0.000 0.261 190 I C 1.267 177.322 176.117 -0.103 0.000 1.219 190 I CA 1.213 62.482 61.300 -0.052 0.000 1.463 190 I CB 0.184 38.242 38.000 0.096 0.000 1.092 190 I HN 0.224 nan 8.210 nan 0.000 0.452 191 Q N 0.329 119.989 119.800 -0.235 0.000 2.392 191 Q HA -0.111 4.233 4.340 0.007 0.000 0.203 191 Q C 1.676 177.297 176.000 -0.632 0.000 0.917 191 Q CA 0.467 56.128 55.803 -0.236 0.000 0.939 191 Q CB -0.235 28.540 28.738 0.062 0.000 1.063 191 Q HN 0.760 nan 8.270 nan 0.000 0.516 192 W N 0.622 121.209 121.300 -1.188 0.000 2.290 192 W HA -0.224 4.442 4.660 0.010 0.000 0.318 192 W C 1.319 177.572 176.519 -0.443 0.000 1.248 192 W CA 1.419 57.973 57.345 -1.319 0.000 1.263 192 W CB -1.527 27.367 29.460 -0.945 0.000 1.147 192 W HN 0.124 nan 8.180 nan 0.000 0.494 193 G N 1.256 109.297 108.800 -1.265 0.000 2.559 193 G HA2 -0.191 3.774 3.960 0.007 0.000 0.216 193 G HA3 -0.191 3.774 3.960 0.007 0.000 0.216 193 G C 0.915 175.571 174.900 -0.406 0.000 1.126 193 G CA 0.171 44.623 45.100 -1.080 0.000 0.778 193 G HN 0.180 nan 8.290 nan 0.000 0.543 194 K N 0.215 120.494 120.400 -0.200 0.000 2.423 194 K HA 0.447 4.772 4.320 0.007 0.000 0.234 194 K C -1.744 174.961 176.600 0.175 0.000 1.051 194 K CA -0.615 55.669 56.287 -0.005 0.000 1.021 194 K CB 0.752 33.276 32.500 0.040 0.000 1.474 194 K HN 0.121 nan 8.250 nan 0.000 0.474 195 L N 2.903 124.208 121.223 0.136 0.000 2.476 195 L HA 0.276 4.621 4.340 0.007 0.000 0.269 195 L C -1.050 175.816 176.870 -0.006 0.000 0.965 195 L CA -0.451 54.486 54.840 0.162 0.000 0.845 195 L CB 1.945 44.178 42.059 0.291 0.000 1.259 195 L HN 0.329 nan 8.230 nan 0.000 0.403 196 Q N 2.986 122.732 119.800 -0.091 0.000 2.296 196 Q HA 0.436 4.780 4.340 0.007 0.000 0.263 196 Q C -1.348 174.334 176.000 -0.531 0.000 1.026 196 Q CA 0.165 55.740 55.803 -0.379 0.000 0.912 196 Q CB 0.909 29.326 28.738 -0.533 0.000 1.198 196 Q HN 0.526 nan 8.270 nan 0.000 0.407 197 V N 6.610 126.233 119.914 -0.486 0.000 2.333 197 V HA 0.326 4.451 4.120 0.007 0.000 0.274 197 V C -0.612 175.184 176.094 -0.496 0.000 1.028 197 V CA -0.516 61.559 62.300 -0.375 0.000 0.851 197 V CB 0.040 31.745 31.823 -0.196 0.000 1.000 197 V HN 0.617 nan 8.190 nan 0.000 0.456 198 F N 2.818 122.645 119.950 -0.206 0.000 2.411 198 F HA 0.350 4.878 4.527 0.003 0.000 0.355 198 F C 0.602 176.243 175.800 -0.265 0.000 1.117 198 F CA -0.815 57.053 58.000 -0.220 0.000 1.139 198 F CB 0.802 39.673 39.000 -0.214 0.000 1.120 198 F HN 0.413 nan 8.300 nan 0.000 0.493 199 D N 3.220 123.583 120.400 -0.062 0.000 2.339 199 D HA 0.414 5.059 4.640 0.007 0.000 0.241 199 D C -0.137 176.005 176.300 -0.263 0.000 1.183 199 D CA -0.020 53.880 54.000 -0.168 0.000 0.859 199 D CB 1.130 41.865 40.800 -0.108 0.000 1.067 199 D HN 0.608 nan 8.370 nan 0.000 0.484 200 A N 4.675 127.180 122.820 -0.526 0.000 2.749 200 A HA 0.193 4.517 4.320 0.007 0.000 0.299 200 A C 1.267 178.543 177.584 -0.513 0.000 1.105 200 A CA -0.467 51.039 52.037 -0.885 0.000 0.987 200 A CB 0.016 17.885 19.000 -1.885 0.000 1.180 200 A HN 0.564 nan 8.150 nan 0.000 0.528 201 R N 0.482 120.829 120.500 -0.256 0.000 2.323 201 R HA -0.037 4.307 4.340 0.007 0.000 0.198 201 R C 0.600 176.865 176.300 -0.059 0.000 0.988 201 R CA 1.045 57.076 56.100 -0.116 0.000 1.041 201 R CB 0.125 30.415 30.300 -0.016 0.000 0.926 201 R HN 0.661 nan 8.270 nan 0.000 0.476 202 D N -0.759 119.618 120.400 -0.037 0.000 2.360 202 D HA -0.062 4.583 4.640 0.007 0.000 0.210 202 D C 0.424 176.794 176.300 0.117 0.000 1.047 202 D CA -0.285 53.747 54.000 0.053 0.000 0.854 202 D CB -0.494 40.358 40.800 0.088 0.000 0.936 202 D HN -0.027 nan 8.370 nan 0.000 0.514 203 C N 1.884 121.245 119.300 0.102 0.000 2.596 203 C HA 0.329 4.794 4.460 0.007 0.000 0.414 203 C C 1.627 176.764 174.990 0.246 0.000 1.396 203 C CA 0.763 59.918 59.018 0.229 0.000 1.698 203 C CB -0.714 27.162 27.740 0.226 0.000 2.572 203 C HN 0.485 nan 8.230 nan 0.000 0.604 204 S N 2.437 118.328 115.700 0.319 0.000 2.847 204 S HA 0.291 4.766 4.470 0.007 0.000 0.254 204 S C -0.046 174.719 174.600 0.276 0.000 1.039 204 S CA 0.264 58.673 58.200 0.348 0.000 1.113 204 S CB -0.207 63.123 63.200 0.217 0.000 1.092 204 S HN 1.228 nan 8.310 nan 0.000 0.620 205 S N -0.244 115.619 115.700 0.272 0.000 2.618 205 S HA 0.840 5.315 4.470 0.007 0.000 0.277 205 S C 0.938 175.639 174.600 0.169 0.000 1.138 205 S CA -0.269 58.035 58.200 0.174 0.000 0.844 205 S CB 1.079 64.358 63.200 0.131 0.000 1.127 205 S HN 0.546 nan 8.310 nan 0.000 0.474 206 A N 0.870 123.760 122.820 0.117 0.000 1.902 206 A HA -0.069 4.255 4.320 0.007 0.000 0.217 206 A C 2.150 179.751 177.584 0.027 0.000 1.181 206 A CA 2.182 54.286 52.037 0.111 0.000 0.623 206 A CB -1.347 17.765 19.000 0.187 0.000 0.818 206 A HN 0.927 nan 8.150 nan 0.000 0.443 207 Q N 0.258 120.136 119.800 0.129 0.000 2.045 207 Q HA -0.249 4.095 4.340 0.007 0.000 0.206 207 Q C 1.939 177.927 176.000 -0.020 0.000 0.991 207 Q CA 2.582 58.409 55.803 0.040 0.000 0.851 207 Q CB -0.455 28.383 28.738 0.165 0.000 0.911 207 Q HN 0.751 nan 8.270 nan 0.000 0.418 208 E N -0.952 119.286 120.200 0.064 0.000 2.110 208 E HA -0.189 4.166 4.350 0.007 0.000 0.193 208 E C 1.950 178.665 176.600 0.192 0.000 0.988 208 E CA 1.214 57.672 56.400 0.096 0.000 0.804 208 E CB -0.125 29.679 29.700 0.173 0.000 0.745 208 E HN 0.482 nan 8.360 nan 0.000 0.458 209 M N -0.135 119.547 119.600 0.138 0.000 2.108 209 M HA -0.172 4.313 4.480 0.007 0.000 0.261 209 M C 2.127 178.469 176.300 0.070 0.000 1.066 209 M CA 1.291 56.623 55.300 0.053 0.000 1.107 209 M CB -0.372 32.078 32.600 -0.250 0.000 1.356 209 M HN 0.207 nan 8.290 nan 0.000 0.406 210 F N 1.391 121.133 119.950 -0.346 0.000 2.075 210 F HA -0.204 4.329 4.527 0.010 0.000 0.297 210 F C 2.348 178.023 175.800 -0.207 0.000 1.113 210 F CA 2.025 59.746 58.000 -0.464 0.000 1.218 210 F CB -1.000 37.370 39.000 -1.050 0.000 0.984 210 F HN 0.061 nan 8.300 nan 0.000 0.472 211 T N -0.057 114.317 114.554 -0.299 0.000 2.597 211 T HA -0.305 4.050 4.350 0.007 0.000 0.267 211 T C 1.773 176.302 174.700 -0.284 0.000 1.053 211 T CA 2.203 64.086 62.100 -0.362 0.000 1.165 211 T CB -1.003 67.697 68.868 -0.281 0.000 0.863 211 T HN 0.305 nan 8.240 nan 0.000 0.427 212 Y N 0.999 121.245 120.300 -0.090 0.000 2.151 212 Y HA -0.094 4.460 4.550 0.006 0.000 0.284 212 Y C 2.284 178.133 175.900 -0.084 0.000 1.166 212 Y CA 0.705 58.767 58.100 -0.063 0.000 1.163 212 Y CB -0.608 37.918 38.460 0.110 0.000 0.974 212 Y HN 0.237 nan 8.280 nan 0.000 0.511 213 I N -1.928 118.715 120.570 0.121 0.000 2.286 213 I HA -0.321 3.854 4.170 0.007 0.000 0.245 213 I C 2.366 178.435 176.117 -0.079 0.000 1.104 213 I CA 0.832 62.155 61.300 0.039 0.000 1.397 213 I CB -0.544 37.483 38.000 0.045 0.000 1.072 213 I HN 0.245 nan 8.210 nan 0.000 0.417 214 C N 0.986 120.128 119.300 -0.262 0.000 2.413 214 C HA -0.169 4.295 4.460 0.007 0.000 0.276 214 C C 2.647 177.535 174.990 -0.169 0.000 1.236 214 C CA 1.067 59.913 59.018 -0.286 0.000 1.735 214 C CB -1.432 26.001 27.740 -0.512 0.000 2.031 214 C HN 0.552 nan 8.230 nan 0.000 0.474 215 N N -0.147 118.436 118.700 -0.195 0.000 2.104 215 N HA -0.154 4.590 4.740 0.007 0.000 0.190 215 N C 1.415 176.816 175.510 -0.181 0.000 1.024 215 N CA 1.586 54.513 53.050 -0.206 0.000 0.853 215 N CB -0.844 37.462 38.487 -0.301 0.000 1.008 215 N HN 0.764 nan 8.380 nan 0.000 0.424 216 H N 0.271 119.191 119.070 -0.251 0.000 2.321 216 H HA 0.055 4.617 4.556 0.010 0.000 0.300 216 H C 2.066 177.405 175.328 0.018 0.000 1.087 216 H CA 1.566 57.522 56.048 -0.153 0.000 1.319 216 H CB -0.068 29.653 29.762 -0.068 0.000 1.379 216 H HN 0.099 nan 8.280 nan 0.000 0.501 217 I N 0.701 121.406 120.570 0.225 0.000 2.179 217 I HA -0.280 3.895 4.170 0.007 0.000 0.242 217 I C 2.453 178.638 176.117 0.113 0.000 1.088 217 I CA 1.376 62.773 61.300 0.160 0.000 1.357 217 I CB -0.266 37.760 38.000 0.044 0.000 1.051 217 I HN 0.302 nan 8.210 nan 0.000 0.409 218 K N 0.029 120.462 120.400 0.056 0.000 2.020 218 K HA -0.268 4.056 4.320 0.007 0.000 0.212 218 K C 2.266 178.912 176.600 0.076 0.000 1.050 218 K CA 2.117 58.427 56.287 0.038 0.000 0.929 218 K CB -0.537 31.963 32.500 -0.001 0.000 0.714 218 K HN 0.308 nan 8.250 nan 0.000 0.443 219 Y N 1.124 121.420 120.300 -0.008 0.000 2.163 219 Y HA -0.194 4.357 4.550 0.002 0.000 0.288 219 Y C 2.220 178.169 175.900 0.081 0.000 1.136 219 Y CA 1.529 59.656 58.100 0.045 0.000 1.147 219 Y CB -0.218 38.298 38.460 0.093 0.000 0.987 219 Y HN 0.061 nan 8.280 nan 0.000 0.509 220 A N -1.006 121.961 122.820 0.246 0.000 1.969 220 A HA -0.110 4.214 4.320 0.007 0.000 0.218 220 A C 2.135 179.783 177.584 0.107 0.000 1.169 220 A CA 2.035 54.196 52.037 0.206 0.000 0.635 220 A CB -1.057 18.117 19.000 0.290 0.000 0.810 220 A HN 0.510 nan 8.150 nan 0.000 0.445 221 T N -0.515 114.089 114.554 0.084 0.000 2.852 221 T HA -0.028 4.327 4.350 0.007 0.000 0.256 221 T C 1.044 175.751 174.700 0.011 0.000 1.038 221 T CA 0.966 63.108 62.100 0.071 0.000 1.141 221 T CB -0.304 68.606 68.868 0.070 0.000 0.869 221 T HN 0.601 nan 8.240 nan 0.000 0.439 222 N N 1.210 119.888 118.700 -0.038 0.000 2.716 222 N HA -0.248 4.497 4.740 0.007 0.000 0.250 222 N C -0.220 175.262 175.510 -0.046 0.000 1.033 222 N CA 0.550 53.551 53.050 -0.081 0.000 0.727 222 N CB -1.339 37.054 38.487 -0.157 0.000 0.950 222 N HN 0.470 nan 8.380 nan 0.000 0.541 223 R N -2.299 118.188 120.500 -0.022 0.000 3.641 223 R HA -0.208 4.136 4.340 0.007 0.000 0.286 223 R C 1.244 177.531 176.300 -0.020 0.000 1.153 223 R CA 1.257 57.345 56.100 -0.019 0.000 0.775 223 R CB -1.849 28.435 30.300 -0.026 0.000 1.215 223 R HN 1.004 nan 8.270 nan 0.000 0.474 224 G N -0.384 108.413 108.800 -0.005 0.000 2.254 224 G HA2 -0.330 3.635 3.960 0.007 0.000 0.225 224 G HA3 -0.330 3.635 3.960 0.007 0.000 0.225 224 G C 0.004 174.895 174.900 -0.014 0.000 1.003 224 G CA 0.072 45.170 45.100 -0.002 0.000 0.622 224 G HN 0.382 nan 8.290 nan 0.000 0.507 225 N N 1.442 120.120 118.700 -0.037 0.000 3.124 225 N HA 0.435 5.179 4.740 0.007 0.000 0.284 225 N C 0.449 175.931 175.510 -0.047 0.000 1.209 225 N CA -0.385 52.626 53.050 -0.066 0.000 1.149 225 N CB -0.388 38.055 38.487 -0.072 0.000 1.434 225 N HN 0.252 nan 8.380 nan 0.000 0.529 226 L N 1.751 122.972 121.223 -0.004 0.000 2.514 226 L HA 0.094 4.438 4.340 0.007 0.000 0.280 226 L C 0.770 177.765 176.870 0.208 0.000 1.223 226 L CA 0.971 55.889 54.840 0.130 0.000 0.864 226 L CB 0.230 42.453 42.059 0.274 0.000 1.118 226 L HN 0.348 nan 8.230 nan 0.000 0.494 227 R N 1.545 122.177 120.500 0.220 0.000 2.532 227 R HA 0.407 4.752 4.340 0.007 0.000 0.297 227 R C -0.616 175.858 176.300 0.290 0.000 0.984 227 R CA -0.672 55.579 56.100 0.252 0.000 0.884 227 R CB 1.639 31.958 30.300 0.032 0.000 1.182 227 R HN 0.580 nan 8.270 nan 0.000 0.442 228 S N 1.613 117.481 115.700 0.280 0.000 2.537 228 S HA 0.392 4.867 4.470 0.007 0.000 0.286 228 S C -0.194 174.473 174.600 0.110 0.000 1.299 228 S CA -0.105 58.154 58.200 0.099 0.000 1.067 228 S CB 1.040 64.249 63.200 0.014 0.000 0.864 228 S HN 0.698 nan 8.310 nan 0.000 0.494 229 A N 2.913 125.765 122.820 0.053 0.000 2.612 229 A HA 0.821 5.145 4.320 0.007 0.000 0.293 229 A C -1.234 176.404 177.584 0.090 0.000 1.075 229 A CA -0.663 51.361 52.037 -0.023 0.000 0.680 229 A CB 1.226 20.179 19.000 -0.079 0.000 1.279 229 A HN 0.791 nan 8.150 nan 0.000 0.411 230 I N 0.457 121.076 120.570 0.082 0.000 2.722 230 I HA 0.643 4.817 4.170 0.007 0.000 0.295 230 I C -1.204 175.048 176.117 0.224 0.000 1.161 230 I CA -0.196 61.265 61.300 0.267 0.000 1.032 230 I CB 2.454 40.560 38.000 0.177 0.000 1.244 230 I HN 0.625 nan 8.210 nan 0.000 0.421 231 T N 6.143 120.852 114.554 0.257 0.000 2.792 231 T HA 0.455 4.809 4.350 0.007 0.000 0.280 231 T C -0.745 173.785 174.700 -0.283 0.000 0.990 231 T CA -0.377 61.723 62.100 0.001 0.000 0.960 231 T CB 1.621 70.490 68.868 0.002 0.000 0.939 231 T HN 0.265 nan 8.240 nan 0.000 0.439 232 V N 4.978 124.638 119.914 -0.423 0.000 2.328 232 V HA 0.458 4.582 4.120 0.007 0.000 0.278 232 V C -0.366 175.399 176.094 -0.549 0.000 1.021 232 V CA -0.820 61.231 62.300 -0.414 0.000 0.838 232 V CB -0.143 31.411 31.823 -0.448 0.000 0.999 232 V HN 0.716 nan 8.190 nan 0.000 0.447 233 F N 5.395 125.244 119.950 -0.167 0.000 2.368 233 F HA 0.492 5.024 4.527 0.009 0.000 0.308 233 F C -1.763 173.927 175.800 -0.183 0.000 1.198 233 F CA -2.314 55.500 58.000 -0.309 0.000 1.130 233 F CB 0.118 38.900 39.000 -0.364 0.000 1.300 233 F HN 0.284 nan 8.300 nan 0.000 0.537 234 P HA 0.036 nan 4.420 nan 0.000 0.269 234 P C -1.173 176.196 177.300 0.114 0.000 1.209 234 P CA -0.313 62.763 63.100 -0.040 0.000 0.776 234 P CB 0.272 31.902 31.700 -0.117 0.000 0.876 235 Q N 2.395 122.194 119.800 -0.001 0.000 2.368 235 Q HA 0.219 4.564 4.340 0.007 0.000 0.237 235 Q C 0.027 175.941 176.000 -0.143 0.000 0.987 235 Q CA -0.720 54.860 55.803 -0.372 0.000 0.896 235 Q CB 0.778 29.007 28.738 -0.850 0.000 1.241 235 Q HN 0.288 nan 8.270 nan 0.000 0.485 236 R N 0.416 120.811 120.500 -0.175 0.000 2.537 236 R HA 0.129 4.473 4.340 0.007 0.000 0.281 236 R C -0.970 175.280 176.300 -0.084 0.000 0.988 236 R CA 0.690 56.743 56.100 -0.079 0.000 1.077 236 R CB 0.155 30.398 30.300 -0.093 0.000 0.932 236 R HN 0.702 nan 8.270 nan 0.000 0.409 237 A N 6.363 129.170 122.820 -0.021 0.000 2.356 237 A HA 0.599 4.923 4.320 0.007 0.000 0.323 237 A C -2.333 175.243 177.584 -0.013 0.000 1.119 237 A CA -1.705 50.322 52.037 -0.016 0.000 0.790 237 A CB 1.216 20.233 19.000 0.029 0.000 1.273 237 A HN 0.595 nan 8.150 nan 0.000 0.452 238 P HA 0.265 nan 4.420 nan 0.000 0.271 238 P C 0.691 177.993 177.300 0.003 0.000 1.220 238 P CA 1.256 64.352 63.100 -0.007 0.000 0.768 238 P CB 0.712 32.410 31.700 -0.004 0.000 0.848 239 G N 2.246 111.047 108.800 0.002 0.000 2.356 239 G HA2 -0.247 3.717 3.960 0.007 0.000 0.296 239 G HA3 -0.247 3.717 3.960 0.007 0.000 0.296 239 G C 0.130 175.034 174.900 0.006 0.000 1.022 239 G CA 0.007 45.110 45.100 0.005 0.000 0.961 239 G HN 0.828 nan 8.290 nan 0.000 0.510 240 R N -0.441 120.061 120.500 0.004 0.000 2.566 240 R HA 0.544 4.889 4.340 0.007 0.000 0.271 240 R C 0.609 176.904 176.300 -0.009 0.000 1.071 240 R CA 0.014 56.114 56.100 0.001 0.000 0.915 240 R CB 1.128 31.438 30.300 0.016 0.000 1.228 240 R HN 0.574 nan 8.270 nan 0.000 0.449 241 G N 1.870 110.653 108.800 -0.028 0.000 2.594 241 G HA2 0.087 4.051 3.960 0.007 0.000 0.243 241 G HA3 0.087 4.051 3.960 0.007 0.000 0.243 241 G C -0.379 174.491 174.900 -0.050 0.000 1.229 241 G CA -0.269 44.810 45.100 -0.035 0.000 0.843 241 G HN 0.535 nan 8.290 nan 0.000 0.578 242 D N -0.344 120.046 120.400 -0.016 0.000 2.339 242 D HA 0.241 4.885 4.640 0.007 0.000 0.245 242 D C -0.023 176.268 176.300 -0.016 0.000 1.115 242 D CA 0.203 54.221 54.000 0.032 0.000 0.917 242 D CB 0.728 41.565 40.800 0.061 0.000 1.192 242 D HN 0.119 nan 8.370 nan 0.000 0.428 243 F N 1.345 121.322 119.950 0.046 0.000 2.427 243 F HA 0.288 4.821 4.527 0.009 0.000 0.352 243 F C 1.073 176.904 175.800 0.053 0.000 1.100 243 F CA 0.141 58.157 58.000 0.027 0.000 1.191 243 F CB 0.605 39.615 39.000 0.017 0.000 1.128 243 F HN -0.202 nan 8.300 nan 0.000 0.533 244 R N 3.802 124.430 120.500 0.213 0.000 2.604 244 R HA 0.472 4.816 4.340 0.007 0.000 0.281 244 R C -1.270 175.186 176.300 0.259 0.000 1.020 244 R CA -0.893 55.347 56.100 0.233 0.000 0.899 244 R CB 1.935 32.395 30.300 0.268 0.000 1.205 244 R HN 0.619 nan 8.270 nan 0.000 0.450 245 I N 2.798 123.501 120.570 0.222 0.000 2.312 245 I HA 0.165 4.339 4.170 0.007 0.000 0.290 245 I C 0.606 176.930 176.117 0.344 0.000 1.008 245 I CA -0.417 61.017 61.300 0.223 0.000 1.226 245 I CB 1.001 39.070 38.000 0.114 0.000 1.371 245 I HN 0.513 nan 8.210 nan 0.000 0.468 246 W N 3.407 124.749 121.300 0.070 0.000 2.388 246 W HA -0.086 4.578 4.660 0.007 0.000 0.294 246 W C 0.959 177.582 176.519 0.172 0.000 1.212 246 W CA 0.150 57.599 57.345 0.173 0.000 1.271 246 W CB -0.920 28.640 29.460 0.167 0.000 1.126 246 W HN 0.399 nan 8.180 nan 0.000 0.535 247 N N 0.203 119.069 118.700 0.277 0.000 2.492 247 N HA 0.011 4.755 4.740 0.007 0.000 0.260 247 N C 1.292 176.865 175.510 0.106 0.000 1.215 247 N CA 0.853 53.990 53.050 0.144 0.000 0.923 247 N CB 0.800 39.307 38.487 0.034 0.000 1.092 247 N HN -0.072 nan 8.380 nan 0.000 0.448 248 S N 1.017 116.775 115.700 0.096 0.000 2.461 248 S HA -0.021 4.453 4.470 0.007 0.000 0.228 248 S C 0.369 174.964 174.600 -0.008 0.000 1.005 248 S CA 0.588 58.825 58.200 0.063 0.000 0.942 248 S CB 0.101 63.362 63.200 0.102 0.000 0.776 248 S HN 0.638 nan 8.310 nan 0.000 0.514 249 Q N -0.602 119.182 119.800 -0.027 0.000 2.423 249 Q HA 0.513 4.858 4.340 0.007 0.000 0.278 249 Q C 0.210 176.126 176.000 -0.140 0.000 1.097 249 Q CA -0.564 55.182 55.803 -0.095 0.000 0.809 249 Q CB 1.998 30.709 28.738 -0.044 0.000 1.391 249 Q HN 0.138 nan 8.270 nan 0.000 0.428 250 L N 0.167 121.280 121.223 -0.184 0.000 2.201 250 L HA 0.022 4.367 4.340 0.007 0.000 0.212 250 L C 0.318 177.039 176.870 -0.249 0.000 1.105 250 L CA 0.775 55.507 54.840 -0.181 0.000 0.775 250 L CB 0.159 42.109 42.059 -0.183 0.000 0.913 250 L HN 0.251 nan 8.230 nan 0.000 0.440 251 V N 0.934 120.613 119.914 -0.391 0.000 2.443 251 V HA 0.470 4.595 4.120 0.007 0.000 0.293 251 V C -0.269 175.310 176.094 -0.858 0.000 1.021 251 V CA -0.654 61.234 62.300 -0.686 0.000 0.848 251 V CB 1.710 32.953 31.823 -0.966 0.000 0.998 251 V HN 0.162 nan 8.190 nan 0.000 0.424 252 R N 2.768 122.890 120.500 -0.630 0.000 2.698 252 R HA 0.514 4.859 4.340 0.007 0.000 0.275 252 R C -1.749 174.313 176.300 -0.396 0.000 1.001 252 R CA -0.805 55.039 56.100 -0.428 0.000 0.896 252 R CB 2.623 32.829 30.300 -0.157 0.000 1.218 252 R HN 0.558 nan 8.270 nan 0.000 0.462 253 Y N 0.333 120.624 120.300 -0.015 0.000 2.301 253 Y HA 0.412 4.966 4.550 0.008 0.000 0.325 253 Y C 1.014 176.886 175.900 -0.045 0.000 1.203 253 Y CA -0.463 57.644 58.100 0.012 0.000 1.255 253 Y CB 0.925 39.458 38.460 0.123 0.000 1.232 253 Y HN 0.660 nan 8.280 nan 0.000 0.501 254 A N 1.379 124.243 122.820 0.075 0.000 2.425 254 A HA 0.548 4.872 4.320 0.007 0.000 0.242 254 A C 0.553 177.922 177.584 -0.358 0.000 1.077 254 A CA 0.286 52.205 52.037 -0.197 0.000 0.781 254 A CB -0.299 18.520 19.000 -0.300 0.000 1.020 254 A HN 0.938 nan 8.150 nan 0.000 0.494 255 G N 0.432 109.000 108.800 -0.388 0.000 2.675 255 G HA2 0.545 4.509 3.960 0.007 0.000 0.297 255 G HA3 0.545 4.509 3.960 0.007 0.000 0.297 255 G C -1.292 173.443 174.900 -0.275 0.000 1.399 255 G CA -0.241 44.678 45.100 -0.301 0.000 0.981 255 G HN 0.489 nan 8.290 nan 0.000 0.519 256 Y N 1.570 121.884 120.300 0.023 0.000 2.369 256 Y HA 0.465 5.019 4.550 0.007 0.000 0.337 256 Y C 0.974 176.874 175.900 -0.001 0.000 0.961 256 Y CA -1.109 57.003 58.100 0.019 0.000 1.186 256 Y CB 1.307 39.773 38.460 0.010 0.000 1.139 256 Y HN 0.448 nan 8.280 nan 0.000 0.494 257 R N 2.658 123.243 120.500 0.142 0.000 2.543 257 R HA 0.173 4.518 4.340 0.007 0.000 0.277 257 R C -0.144 176.198 176.300 0.070 0.000 1.074 257 R CA -0.223 55.924 56.100 0.078 0.000 1.076 257 R CB 0.526 30.859 30.300 0.055 0.000 0.993 257 R HN 0.628 nan 8.270 nan 0.000 0.459 258 Q N 1.568 121.394 119.800 0.044 0.000 2.194 258 Q HA 0.043 4.388 4.340 0.007 0.000 0.245 258 Q C 0.370 176.378 176.000 0.013 0.000 0.993 258 Q CA -0.503 55.315 55.803 0.026 0.000 0.930 258 Q CB 1.226 29.975 28.738 0.020 0.000 1.238 258 Q HN 0.522 nan 8.270 nan 0.000 0.486 259 Q N 1.022 120.824 119.800 0.003 0.000 2.079 259 Q HA -0.123 4.221 4.340 0.007 0.000 0.200 259 Q C 0.250 176.251 176.000 0.001 0.000 0.974 259 Q CA 1.790 57.592 55.803 -0.001 0.000 0.840 259 Q CB 0.158 28.891 28.738 -0.008 0.000 0.898 259 Q HN 0.628 nan 8.270 nan 0.000 0.430 260 D N -1.697 118.704 120.400 0.002 0.000 2.676 260 D HA 0.120 4.764 4.640 0.007 0.000 0.239 260 D C 0.806 177.110 176.300 0.006 0.000 1.213 260 D CA 0.553 54.555 54.000 0.002 0.000 0.835 260 D CB -0.256 40.544 40.800 0.000 0.000 1.009 260 D HN 0.464 nan 8.370 nan 0.000 0.479 261 G N 1.346 110.152 108.800 0.009 0.000 2.413 261 G HA2 -0.419 3.545 3.960 0.007 0.000 0.259 261 G HA3 -0.419 3.545 3.960 0.007 0.000 0.259 261 G C 0.747 175.655 174.900 0.014 0.000 1.003 261 G CA 1.077 46.184 45.100 0.012 0.000 0.629 261 G HN 0.726 nan 8.290 nan 0.000 0.548 262 S N -0.813 114.893 115.700 0.011 0.000 2.617 262 S HA 0.602 5.077 4.470 0.007 0.000 0.255 262 S C 0.092 174.699 174.600 0.010 0.000 1.318 262 S CA 0.118 58.323 58.200 0.009 0.000 0.978 262 S CB 1.950 65.153 63.200 0.005 0.000 0.961 262 S HN 1.150 nan 8.310 nan 0.000 0.582 263 V N 0.959 120.872 119.914 -0.003 0.000 2.588 263 V HA 0.549 4.673 4.120 0.007 0.000 0.304 263 V C 0.038 176.116 176.094 -0.027 0.000 1.042 263 V CA -0.849 61.446 62.300 -0.008 0.000 0.877 263 V CB 1.499 33.301 31.823 -0.035 0.000 0.996 263 V HN 0.932 nan 8.190 nan 0.000 0.425 264 R N 2.451 122.965 120.500 0.022 0.000 2.312 264 R HA 0.682 5.027 4.340 0.007 0.000 0.311 264 R C 0.694 176.969 176.300 -0.043 0.000 1.004 264 R CA 0.984 57.100 56.100 0.027 0.000 0.902 264 R CB 1.131 31.515 30.300 0.140 0.000 1.073 264 R HN 1.215 nan 8.270 nan 0.000 0.457 265 G N 2.847 111.538 108.800 -0.182 0.000 2.503 265 G HA2 -0.255 3.710 3.960 0.007 0.000 0.235 265 G HA3 -0.255 3.710 3.960 0.007 0.000 0.235 265 G C -1.248 173.321 174.900 -0.552 0.000 1.179 265 G CA 0.023 44.942 45.100 -0.302 0.000 0.944 265 G HN 0.642 nan 8.290 nan 0.000 0.580 266 D N 1.597 121.799 120.400 -0.331 0.000 2.392 266 D HA 0.588 5.232 4.640 0.007 0.000 0.228 266 D C -1.183 175.037 176.300 -0.135 0.000 1.074 266 D CA -1.965 51.860 54.000 -0.291 0.000 0.838 266 D CB 1.657 42.564 40.800 0.178 0.000 1.067 266 D HN -0.018 nan 8.370 nan 0.000 0.511 267 P HA -0.066 nan 4.420 nan 0.000 0.221 267 P C 0.954 178.272 177.300 0.029 0.000 1.145 267 P CA 0.810 63.884 63.100 -0.044 0.000 0.795 267 P CB 0.256 31.939 31.700 -0.028 0.000 0.775 268 A N -0.434 122.427 122.820 0.067 0.000 2.070 268 A HA -0.147 4.177 4.320 0.007 0.000 0.220 268 A C 1.676 179.323 177.584 0.104 0.000 1.159 268 A CA 1.491 53.599 52.037 0.118 0.000 0.656 268 A CB -0.864 18.236 19.000 0.167 0.000 0.800 268 A HN 0.157 nan 8.150 nan 0.000 0.453 269 N N -0.744 117.997 118.700 0.069 0.000 2.235 269 N HA 0.159 4.903 4.740 0.007 0.000 0.231 269 N C 1.088 176.606 175.510 0.013 0.000 1.177 269 N CA 0.151 53.232 53.050 0.051 0.000 0.874 269 N CB 0.692 39.205 38.487 0.044 0.000 1.097 269 N HN 0.173 nan 8.380 nan 0.000 0.518 270 V N 1.096 121.020 119.914 0.018 0.000 2.255 270 V HA -0.253 3.872 4.120 0.007 0.000 0.247 270 V C 2.392 178.491 176.094 0.008 0.000 1.051 270 V CA 1.860 64.166 62.300 0.010 0.000 1.018 270 V CB -0.246 31.592 31.823 0.024 0.000 0.641 270 V HN 0.378 nan 8.190 nan 0.000 0.445 271 E N -0.651 119.559 120.200 0.016 0.000 2.077 271 E HA -0.252 4.103 4.350 0.007 0.000 0.193 271 E C 2.118 178.640 176.600 -0.128 0.000 0.989 271 E CA 1.639 58.017 56.400 -0.036 0.000 0.800 271 E CB -0.134 29.583 29.700 0.028 0.000 0.746 271 E HN 0.514 nan 8.360 nan 0.000 0.452 272 I N 0.552 121.074 120.570 -0.080 0.000 2.353 272 I HA -0.197 3.978 4.170 0.007 0.000 0.248 272 I C 2.036 178.114 176.117 -0.065 0.000 1.119 272 I CA 1.414 62.651 61.300 -0.105 0.000 1.417 272 I CB -0.317 37.683 38.000 0.001 0.000 1.078 272 I HN 0.058 nan 8.210 nan 0.000 0.421 273 T N 0.132 114.670 114.554 -0.026 0.000 2.652 273 T HA -0.215 4.139 4.350 0.007 0.000 0.267 273 T C 1.794 176.560 174.700 0.110 0.000 1.039 273 T CA 1.903 64.028 62.100 0.043 0.000 1.153 273 T CB -0.330 68.555 68.868 0.028 0.000 0.863 273 T HN 0.419 nan 8.240 nan 0.000 0.428 274 E N 0.439 120.672 120.200 0.056 0.000 2.160 274 E HA -0.047 4.308 4.350 0.007 0.000 0.195 274 E C 2.136 178.754 176.600 0.030 0.000 0.991 274 E CA 0.685 57.116 56.400 0.052 0.000 0.810 274 E CB -0.227 29.481 29.700 0.012 0.000 0.742 274 E HN 0.402 nan 8.360 nan 0.000 0.466 275 L N -0.191 121.015 121.223 -0.027 0.000 2.156 275 L HA -0.177 4.168 4.340 0.007 0.000 0.208 275 L C 2.329 179.278 176.870 0.131 0.000 1.095 275 L CA 0.498 55.343 54.840 0.009 0.000 0.770 275 L CB -0.118 41.858 42.059 -0.138 0.000 0.914 275 L HN 0.339 nan 8.230 nan 0.000 0.439 276 C N -0.263 119.086 119.300 0.081 0.000 2.457 276 C HA -0.086 4.378 4.460 0.007 0.000 0.278 276 C C 2.664 177.803 174.990 0.249 0.000 1.309 276 C CA 0.279 59.355 59.018 0.098 0.000 1.735 276 C CB -0.473 27.241 27.740 -0.044 0.000 1.992 276 C HN 0.416 nan 8.230 nan 0.000 0.493 277 I N 0.373 121.109 120.570 0.276 0.000 2.202 277 I HA -0.256 3.919 4.170 0.007 0.000 0.242 277 I C 2.700 178.874 176.117 0.095 0.000 1.091 277 I CA 1.473 62.905 61.300 0.220 0.000 1.368 277 I CB -0.679 37.424 38.000 0.172 0.000 1.058 277 I HN 0.404 nan 8.210 nan 0.000 0.410 278 Q N 0.082 119.909 119.800 0.046 0.000 2.133 278 Q HA -0.272 4.072 4.340 0.007 0.000 0.208 278 Q C 1.465 177.378 176.000 -0.144 0.000 0.991 278 Q CA 1.823 57.585 55.803 -0.067 0.000 0.867 278 Q CB -0.178 28.492 28.738 -0.114 0.000 0.911 278 Q HN 0.604 nan 8.270 nan 0.000 0.417 279 H N -1.882 117.173 119.070 -0.026 0.000 2.555 279 H HA 0.199 4.759 4.556 0.008 0.000 0.283 279 H C 0.660 175.960 175.328 -0.048 0.000 1.037 279 H CA 0.559 56.565 56.048 -0.070 0.000 1.169 279 H CB 0.408 30.082 29.762 -0.147 0.000 1.375 279 H HN 0.459 nan 8.280 nan 0.000 0.582 280 G N -0.341 108.498 108.800 0.065 0.000 2.144 280 G HA2 -0.255 3.709 3.960 0.007 0.000 0.218 280 G HA3 -0.255 3.709 3.960 0.007 0.000 0.218 280 G C -0.177 174.791 174.900 0.113 0.000 0.988 280 G CA -0.191 44.936 45.100 0.046 0.000 0.659 280 G HN 0.378 nan 8.290 nan 0.000 0.522 281 W N 2.434 123.711 121.300 -0.040 0.000 2.304 281 W HA 0.631 5.295 4.660 0.008 0.000 0.313 281 W C 0.409 176.919 176.519 -0.016 0.000 1.323 281 W CA 0.034 57.360 57.345 -0.032 0.000 1.223 281 W CB 0.675 30.125 29.460 -0.015 0.000 1.237 281 W HN 0.048 nan 8.180 nan 0.000 0.535 282 T N 9.876 124.193 114.554 -0.395 0.000 2.738 282 T HA 0.176 4.530 4.350 0.007 0.000 0.293 282 T C -2.084 171.887 174.700 -1.215 0.000 0.913 282 T CA -0.714 61.050 62.100 -0.561 0.000 1.103 282 T CB 0.346 69.027 68.868 -0.312 0.000 0.880 282 T HN 0.214 nan 8.240 nan 0.000 0.526 283 P HA 0.419 nan 4.420 nan 0.000 0.279 283 P C 0.385 177.279 177.300 -0.677 0.000 1.252 283 P CA -0.438 61.904 63.100 -1.263 0.000 0.811 283 P CB 0.988 32.333 31.700 -0.593 0.000 1.035 284 G N 0.763 109.317 108.800 -0.410 0.000 2.574 284 G HA2 0.234 4.199 3.960 0.007 0.000 0.248 284 G HA3 0.234 4.199 3.960 0.007 0.000 0.248 284 G C -0.091 174.563 174.900 -0.409 0.000 1.422 284 G CA -0.253 44.734 45.100 -0.188 0.000 1.051 284 G HN 0.560 nan 8.290 nan 0.000 0.560 285 N N -1.130 117.438 118.700 -0.219 0.000 2.527 285 N HA 0.237 4.982 4.740 0.007 0.000 0.279 285 N C 0.119 175.630 175.510 0.002 0.000 1.571 285 N CA 0.172 53.025 53.050 -0.328 0.000 0.858 285 N CB 0.567 38.879 38.487 -0.292 0.000 1.422 285 N HN 0.687 nan 8.380 nan 0.000 0.491 286 G N -0.571 108.357 108.800 0.214 0.000 2.667 286 G HA2 0.393 4.357 3.960 0.007 0.000 0.310 286 G HA3 0.393 4.357 3.960 0.007 0.000 0.310 286 G C 0.495 175.481 174.900 0.143 0.000 1.259 286 G CA -0.495 44.709 45.100 0.172 0.000 1.019 286 G HN 0.213 nan 8.290 nan 0.000 0.496 287 R N -1.195 119.269 120.500 -0.061 0.000 2.297 287 R HA 0.174 4.518 4.340 0.007 0.000 0.197 287 R C -0.353 175.421 176.300 -0.876 0.000 0.943 287 R CA 0.524 56.368 56.100 -0.426 0.000 1.038 287 R CB 0.159 30.082 30.300 -0.628 0.000 0.957 287 R HN 0.346 nan 8.270 nan 0.000 0.484 288 F N 0.450 120.374 119.950 -0.043 0.000 2.556 288 F HA 0.242 4.773 4.527 0.008 0.000 0.384 288 F C -0.734 175.107 175.800 0.069 0.000 1.493 288 F CA -1.284 56.475 58.000 -0.401 0.000 1.119 288 F CB 0.551 39.187 39.000 -0.606 0.000 1.280 288 F HN -0.249 nan 8.300 nan 0.000 0.525 289 D N 1.789 122.393 120.400 0.342 0.000 2.325 289 D HA 0.197 4.841 4.640 0.007 0.000 0.251 289 D C 0.266 176.817 176.300 0.418 0.000 1.196 289 D CA 0.145 54.391 54.000 0.409 0.000 0.866 289 D CB 2.180 43.265 40.800 0.476 0.000 1.101 289 D HN -0.075 nan 8.370 nan 0.000 0.476 290 V N 3.983 124.094 119.914 0.328 0.000 2.493 290 V HA -0.037 4.087 4.120 0.007 0.000 0.292 290 V C 1.140 177.216 176.094 -0.030 0.000 1.016 290 V CA -0.194 62.159 62.300 0.089 0.000 1.097 290 V CB 0.025 31.864 31.823 0.027 0.000 0.947 290 V HN 0.358 nan 8.190 nan 0.000 0.479 291 L N 8.348 129.454 121.223 -0.195 0.000 2.467 291 L HA 0.282 4.626 4.340 0.007 0.000 0.270 291 L C -1.568 175.016 176.870 -0.477 0.000 1.205 291 L CA -1.196 53.374 54.840 -0.451 0.000 0.828 291 L CB 0.773 42.618 42.059 -0.357 0.000 1.101 291 L HN 0.495 nan 8.230 nan 0.000 0.479 292 P HA 0.192 nan 4.420 nan 0.000 0.278 292 P C -1.131 175.981 177.300 -0.313 0.000 1.266 292 P CA -0.662 62.145 63.100 -0.489 0.000 0.807 292 P CB 0.993 32.284 31.700 -0.682 0.000 1.094 293 L N 1.059 122.182 121.223 -0.166 0.000 2.289 293 L HA 0.295 4.639 4.340 0.007 0.000 0.285 293 L C 0.010 176.826 176.870 -0.091 0.000 1.049 293 L CA -0.435 54.363 54.840 -0.070 0.000 0.804 293 L CB 0.165 42.256 42.059 0.053 0.000 1.195 293 L HN 0.231 nan 8.230 nan 0.000 0.428 294 L N 5.493 126.653 121.223 -0.105 0.000 2.276 294 L HA 0.508 4.853 4.340 0.007 0.000 0.286 294 L C -0.571 176.183 176.870 -0.193 0.000 1.024 294 L CA -0.039 54.652 54.840 -0.249 0.000 0.826 294 L CB 0.796 42.647 42.059 -0.346 0.000 1.211 294 L HN 0.391 nan 8.230 nan 0.000 0.422 295 L N 3.903 125.039 121.223 -0.145 0.000 2.346 295 L HA 0.594 4.938 4.340 0.007 0.000 0.276 295 L C -0.327 176.474 176.870 -0.114 0.000 1.006 295 L CA -0.565 54.248 54.840 -0.045 0.000 0.817 295 L CB 2.121 44.218 42.059 0.064 0.000 1.272 295 L HN 0.531 nan 8.230 nan 0.000 0.421 296 Q N 2.207 121.977 119.800 -0.050 0.000 2.310 296 Q HA 0.723 5.067 4.340 0.007 0.000 0.270 296 Q C -1.361 174.586 176.000 -0.088 0.000 1.025 296 Q CA -0.542 55.226 55.803 -0.058 0.000 0.772 296 Q CB 2.358 31.154 28.738 0.096 0.000 1.253 296 Q HN 0.783 nan 8.270 nan 0.000 0.450 297 A N 4.780 127.495 122.820 -0.175 0.000 2.306 297 A HA 0.717 5.042 4.320 0.007 0.000 0.330 297 A C -2.461 174.872 177.584 -0.419 0.000 1.146 297 A CA -1.801 49.973 52.037 -0.438 0.000 0.827 297 A CB 0.408 19.250 19.000 -0.263 0.000 1.178 297 A HN 0.623 nan 8.150 nan 0.000 0.490 298 P HA -0.053 nan 4.420 nan 0.000 0.260 298 P C -0.524 176.675 177.300 -0.168 0.000 1.147 298 P CA 1.250 64.145 63.100 -0.343 0.000 0.758 298 P CB 0.090 31.589 31.700 -0.336 0.000 0.744 299 D N 0.105 120.452 120.400 -0.089 0.000 3.039 299 D HA -0.195 4.449 4.640 0.007 0.000 0.222 299 D C -0.004 176.278 176.300 -0.030 0.000 1.179 299 D CA 1.321 55.298 54.000 -0.038 0.000 0.880 299 D CB -0.881 39.900 40.800 -0.032 0.000 1.115 299 D HN 0.560 nan 8.370 nan 0.000 0.416 300 E N -0.685 119.488 120.200 -0.045 0.000 2.244 300 E HA 0.663 5.017 4.350 0.007 0.000 0.266 300 E C 0.013 176.600 176.600 -0.021 0.000 0.914 300 E CA -0.744 55.634 56.400 -0.037 0.000 0.794 300 E CB 1.679 31.342 29.700 -0.061 0.000 1.210 300 E HN 0.153 nan 8.360 nan 0.000 0.414 301 A N 2.757 125.564 122.820 -0.022 0.000 2.406 301 A HA 0.295 4.620 4.320 0.007 0.000 0.243 301 A C -2.147 175.337 177.584 -0.167 0.000 1.082 301 A CA -0.887 51.127 52.037 -0.037 0.000 0.786 301 A CB -0.309 18.688 19.000 -0.005 0.000 1.029 301 A HN 0.319 nan 8.150 nan 0.000 0.495 302 P HA 0.306 nan 4.420 nan 0.000 0.279 302 P C -0.739 176.275 177.300 -0.477 0.000 1.239 302 P CA -0.096 62.642 63.100 -0.602 0.000 0.789 302 P CB 0.979 31.841 31.700 -1.397 0.000 0.933 303 E N 0.932 120.934 120.200 -0.330 0.000 2.214 303 E HA 0.443 4.797 4.350 0.007 0.000 0.274 303 E C -0.727 175.585 176.600 -0.479 0.000 0.977 303 E CA -0.981 55.209 56.400 -0.350 0.000 0.827 303 E CB 1.241 30.797 29.700 -0.241 0.000 1.130 303 E HN 0.306 nan 8.360 nan 0.000 0.394 304 L N 3.082 123.914 121.223 -0.652 0.000 2.307 304 L HA 0.490 4.834 4.340 0.007 0.000 0.282 304 L C -1.634 174.677 176.870 -0.933 0.000 1.051 304 L CA 0.029 54.526 54.840 -0.572 0.000 0.804 304 L CB 0.361 42.210 42.059 -0.350 0.000 1.197 304 L HN 0.427 nan 8.230 nan 0.000 0.431 305 F N 4.409 124.134 119.950 -0.376 0.000 2.579 305 F HA 0.424 4.956 4.527 0.009 0.000 0.325 305 F C -0.387 175.159 175.800 -0.422 0.000 1.162 305 F CA -0.901 56.744 58.000 -0.591 0.000 0.946 305 F CB 1.827 40.201 39.000 -1.044 0.000 1.211 305 F HN 0.060 nan 8.300 nan 0.000 0.447 306 V N 4.848 124.665 119.914 -0.160 0.000 2.488 306 V HA 0.191 4.315 4.120 0.007 0.000 0.277 306 V C 0.278 176.446 176.094 0.123 0.000 1.046 306 V CA -0.616 61.670 62.300 -0.022 0.000 0.986 306 V CB 0.854 32.708 31.823 0.052 0.000 0.989 306 V HN 0.511 nan 8.190 nan 0.000 0.475 307 L N 7.558 128.873 121.223 0.153 0.000 2.367 307 L HA 0.311 4.656 4.340 0.007 0.000 0.275 307 L C -2.069 174.899 176.870 0.163 0.000 1.129 307 L CA -1.439 53.535 54.840 0.224 0.000 0.839 307 L CB 0.207 42.335 42.059 0.116 0.000 1.133 307 L HN 0.459 nan 8.230 nan 0.000 0.453 308 P HA 0.127 nan 4.420 nan 0.000 0.271 308 P C -2.150 175.198 177.300 0.080 0.000 1.220 308 P CA -1.230 61.940 63.100 0.116 0.000 0.768 308 P CB 0.341 32.102 31.700 0.101 0.000 0.848 309 P HA -0.183 nan 4.420 nan 0.000 0.219 309 P C 1.296 178.625 177.300 0.049 0.000 1.146 309 P CA 1.173 64.312 63.100 0.066 0.000 0.808 309 P CB -0.153 31.591 31.700 0.073 0.000 0.779 310 E N -0.434 119.791 120.200 0.042 0.000 2.338 310 E HA -0.137 4.218 4.350 0.007 0.000 0.197 310 E C 1.392 178.005 176.600 0.022 0.000 1.007 310 E CA 0.986 57.403 56.400 0.029 0.000 0.849 310 E CB -0.872 28.842 29.700 0.023 0.000 0.774 310 E HN 0.221 nan 8.360 nan 0.000 0.506 311 L N 0.915 122.152 121.223 0.024 0.000 2.375 311 L HA 0.060 4.404 4.340 0.007 0.000 0.215 311 L C 0.807 177.688 176.870 0.019 0.000 1.108 311 L CA 0.544 55.393 54.840 0.014 0.000 0.830 311 L CB 0.381 42.441 42.059 0.003 0.000 0.959 311 L HN -0.098 nan 8.230 nan 0.000 0.457 312 V N 1.567 121.495 119.914 0.023 0.000 2.284 312 V HA 0.177 4.301 4.120 0.007 0.000 0.260 312 V C 0.060 176.179 176.094 0.043 0.000 1.084 312 V CA -0.826 61.486 62.300 0.019 0.000 0.894 312 V CB 0.747 32.569 31.823 -0.003 0.000 1.119 312 V HN 0.006 nan 8.190 nan 0.000 0.484 313 L N 5.396 126.651 121.223 0.054 0.000 2.462 313 L HA 0.317 4.662 4.340 0.007 0.000 0.272 313 L C 0.313 177.226 176.870 0.072 0.000 1.166 313 L CA 0.952 55.820 54.840 0.047 0.000 0.880 313 L CB 0.217 42.298 42.059 0.037 0.000 1.142 313 L HN 0.647 nan 8.230 nan 0.000 0.473 314 E N 3.294 123.516 120.200 0.036 0.000 2.299 314 E HA 0.564 4.919 4.350 0.007 0.000 0.265 314 E C -1.380 175.169 176.600 -0.086 0.000 0.911 314 E CA -1.041 55.377 56.400 0.030 0.000 0.789 314 E CB 2.349 32.095 29.700 0.077 0.000 1.246 314 E HN 0.345 nan 8.360 nan 0.000 0.427 315 V N 2.984 122.804 119.914 -0.157 0.000 2.350 315 V HA 0.291 4.416 4.120 0.007 0.000 0.285 315 V C -2.380 173.636 176.094 -0.131 0.000 1.014 315 V CA -2.075 60.066 62.300 -0.265 0.000 0.831 315 V CB 1.059 32.468 31.823 -0.690 0.000 1.000 315 V HN 0.530 nan 8.190 nan 0.000 0.433 316 P HA 0.265 nan 4.420 nan 0.000 0.271 316 P C -0.644 176.651 177.300 -0.009 0.000 1.216 316 P CA -0.083 62.982 63.100 -0.059 0.000 0.771 316 P CB 0.609 32.286 31.700 -0.039 0.000 0.864 317 L N 3.476 124.732 121.223 0.054 0.000 2.275 317 L HA 0.452 4.797 4.340 0.007 0.000 0.288 317 L C 0.955 177.972 176.870 0.244 0.000 1.046 317 L CA -0.240 54.694 54.840 0.157 0.000 0.805 317 L CB 0.704 42.915 42.059 0.254 0.000 1.193 317 L HN 0.497 nan 8.230 nan 0.000 0.426 318 E N 1.703 122.008 120.200 0.174 0.000 2.416 318 E HA 0.421 4.775 4.350 0.007 0.000 0.273 318 E C -1.241 175.360 176.600 0.002 0.000 0.935 318 E CA -0.953 55.562 56.400 0.191 0.000 0.784 318 E CB 2.143 31.935 29.700 0.154 0.000 1.301 318 E HN 0.447 nan 8.360 nan 0.000 0.454 319 H N 1.228 120.154 119.070 -0.240 0.000 2.463 319 H HA 0.204 4.764 4.556 0.008 0.000 0.332 319 H C -1.688 173.391 175.328 -0.415 0.000 1.127 319 H CA -2.293 53.482 56.048 -0.455 0.000 1.238 319 H CB 1.910 31.311 29.762 -0.602 0.000 1.478 319 H HN 0.436 nan 8.280 nan 0.000 0.499 320 P HA -0.097 nan 4.420 nan 0.000 0.220 320 P C 0.928 178.024 177.300 -0.339 0.000 1.148 320 P CA 1.416 63.975 63.100 -0.902 0.000 0.803 320 P CB 0.463 31.558 31.700 -1.009 0.000 0.782 321 T N -4.179 110.322 114.554 -0.089 0.000 3.028 321 T HA 0.192 4.546 4.350 0.007 0.000 0.250 321 T C 0.869 175.542 174.700 -0.044 0.000 0.979 321 T CA -0.222 61.874 62.100 -0.007 0.000 1.004 321 T CB -0.617 68.262 68.868 0.018 0.000 1.120 321 T HN -0.081 nan 8.240 nan 0.000 0.482 322 L N 2.718 123.877 121.223 -0.107 0.000 2.407 322 L HA 0.357 4.702 4.340 0.007 0.000 0.282 322 L C 1.241 177.752 176.870 -0.597 0.000 1.110 322 L CA -0.129 54.338 54.840 -0.622 0.000 0.863 322 L CB 0.538 41.852 42.059 -1.243 0.000 1.207 322 L HN 0.286 nan 8.230 nan 0.000 0.454 323 E N 3.678 123.660 120.200 -0.363 0.000 2.216 323 E HA -0.138 4.216 4.350 0.007 0.000 0.192 323 E C 1.548 178.125 176.600 -0.038 0.000 0.988 323 E CA 0.929 57.257 56.400 -0.121 0.000 0.834 323 E CB 0.112 29.810 29.700 -0.003 0.000 0.772 323 E HN 0.808 nan 8.360 nan 0.000 0.479 324 W N -0.245 121.114 121.300 0.099 0.000 2.595 324 W HA -0.037 4.627 4.660 0.008 0.000 0.257 324 W C 1.401 177.981 176.519 0.102 0.000 1.267 324 W CA -0.198 57.191 57.345 0.075 0.000 1.300 324 W CB -0.769 28.712 29.460 0.035 0.000 1.120 324 W HN -0.041 nan 8.180 nan 0.000 0.618 325 F N 3.042 122.835 119.950 -0.260 0.000 2.171 325 F HA -0.087 4.444 4.527 0.007 0.000 0.300 325 F C 2.661 178.505 175.800 0.073 0.000 1.090 325 F CA 2.640 60.572 58.000 -0.113 0.000 1.293 325 F CB -0.636 38.130 39.000 -0.389 0.000 1.013 325 F HN -0.085 nan 8.300 nan 0.000 0.486 326 A N -0.007 122.975 122.820 0.270 0.000 2.019 326 A HA -0.057 4.268 4.320 0.007 0.000 0.219 326 A C 2.269 179.934 177.584 0.134 0.000 1.164 326 A CA 1.466 53.621 52.037 0.198 0.000 0.644 326 A CB -1.384 17.698 19.000 0.137 0.000 0.805 326 A HN 0.417 nan 8.150 nan 0.000 0.449 327 A N -1.082 121.826 122.820 0.146 0.000 2.209 327 A HA 0.204 4.528 4.320 0.007 0.000 0.212 327 A C 1.685 179.319 177.584 0.083 0.000 1.158 327 A CA 0.865 52.971 52.037 0.116 0.000 0.742 327 A CB -0.315 18.768 19.000 0.139 0.000 0.790 327 A HN 0.351 nan 8.150 nan 0.000 0.472 328 L N -1.111 120.142 121.223 0.050 0.000 2.217 328 L HA 0.099 4.443 4.340 0.007 0.000 0.211 328 L C 1.935 178.832 176.870 0.045 0.000 1.107 328 L CA 1.467 56.305 54.840 -0.002 0.000 0.783 328 L CB -1.358 40.600 42.059 -0.168 0.000 0.919 328 L HN 0.681 nan 8.230 nan 0.000 0.442 329 G N -0.746 108.085 108.800 0.050 0.000 2.136 329 G HA2 -0.265 3.699 3.960 0.007 0.000 0.242 329 G HA3 -0.265 3.699 3.960 0.007 0.000 0.242 329 G C 0.351 175.262 174.900 0.019 0.000 0.989 329 G CA 0.227 45.365 45.100 0.064 0.000 0.682 329 G HN 0.301 nan 8.290 nan 0.000 0.522 330 L N 0.436 121.652 121.223 -0.012 0.000 2.439 330 L HA 0.689 5.034 4.340 0.007 0.000 0.269 330 L C 1.164 177.837 176.870 -0.329 0.000 1.179 330 L CA -0.256 54.508 54.840 -0.128 0.000 0.828 330 L CB 0.676 42.764 42.059 0.050 0.000 1.106 330 L HN 0.561 nan 8.230 nan 0.000 0.467 331 R N 1.875 121.965 120.500 -0.683 0.000 2.733 331 R HA 0.480 4.824 4.340 0.007 0.000 0.272 331 R C -2.112 174.124 176.300 -0.106 0.000 1.029 331 R CA -0.942 54.930 56.100 -0.380 0.000 0.888 331 R CB 1.795 31.822 30.300 -0.456 0.000 1.251 331 R HN 0.674 nan 8.270 nan 0.000 0.464 332 W N 1.359 122.592 121.300 -0.111 0.000 3.075 332 W HA 0.416 5.080 4.660 0.007 0.000 0.334 332 W C -1.270 175.331 176.519 0.136 0.000 1.243 332 W CA -0.960 56.414 57.345 0.048 0.000 1.170 332 W CB 2.140 31.558 29.460 -0.071 0.000 1.452 332 W HN 0.669 nan 8.180 nan 0.000 0.572 333 Y N 0.522 120.821 120.300 -0.000 0.000 2.335 333 Y HA 0.624 5.179 4.550 0.007 0.000 0.323 333 Y C 0.756 176.900 175.900 0.406 0.000 1.224 333 Y CA -0.249 57.901 58.100 0.083 0.000 1.241 333 Y CB 0.423 38.797 38.460 -0.144 0.000 1.235 333 Y HN 0.365 nan 8.280 nan 0.000 0.492 334 A N 2.075 125.170 122.820 0.459 0.000 1.929 334 A HA 0.004 4.329 4.320 0.007 0.000 0.216 334 A C 0.513 178.438 177.584 0.568 0.000 1.176 334 A CA 0.845 53.173 52.037 0.486 0.000 0.628 334 A CB -0.377 18.770 19.000 0.245 0.000 0.816 334 A HN 0.672 nan 8.150 nan 0.000 0.444 335 L N 1.568 123.100 121.223 0.515 0.000 2.276 335 L HA 0.444 4.788 4.340 0.007 0.000 0.286 335 L C -2.653 174.362 176.870 0.241 0.000 1.024 335 L CA -2.353 52.667 54.840 0.300 0.000 0.826 335 L CB 1.754 43.927 42.059 0.190 0.000 1.211 335 L HN -0.045 nan 8.230 nan 0.000 0.422 336 P HA 0.326 nan 4.420 nan 0.000 0.288 336 P C -1.364 175.841 177.300 -0.158 0.000 1.363 336 P CA -0.280 62.690 63.100 -0.217 0.000 0.837 336 P CB 1.240 32.422 31.700 -0.863 0.000 0.981 337 A N 4.587 127.324 122.820 -0.138 0.000 2.409 337 A HA 0.443 4.767 4.320 0.007 0.000 0.300 337 A C -0.220 177.136 177.584 -0.379 0.000 1.273 337 A CA -0.662 51.219 52.037 -0.259 0.000 0.774 337 A CB 0.812 19.681 19.000 -0.217 0.000 1.144 337 A HN 0.301 nan 8.150 nan 0.000 0.472 338 V N 2.787 122.292 119.914 -0.682 0.000 2.530 338 V HA 0.332 4.457 4.120 0.007 0.000 0.282 338 V C 1.151 176.855 176.094 -0.650 0.000 1.048 338 V CA 0.956 62.835 62.300 -0.702 0.000 0.997 338 V CB 1.339 32.522 31.823 -1.067 0.000 0.987 338 V HN 1.091 nan 8.190 nan 0.000 0.477 339 S N 1.519 117.030 115.700 -0.316 0.000 2.733 339 S HA 0.041 4.516 4.470 0.007 0.000 0.247 339 S C 0.776 175.349 174.600 -0.046 0.000 1.043 339 S CA 0.091 58.188 58.200 -0.173 0.000 1.066 339 S CB -0.369 62.767 63.200 -0.108 0.000 1.045 339 S HN 0.910 nan 8.310 nan 0.000 0.586 340 N N 0.514 119.192 118.700 -0.037 0.000 2.214 340 N HA 0.307 5.051 4.740 0.007 0.000 0.214 340 N C 0.060 175.605 175.510 0.058 0.000 1.132 340 N CA -0.473 52.594 53.050 0.029 0.000 0.856 340 N CB 0.117 38.627 38.487 0.039 0.000 1.020 340 N HN 0.258 nan 8.380 nan 0.000 0.509 341 M N 1.334 120.974 119.600 0.068 0.000 2.367 341 M HA 0.303 4.787 4.480 0.007 0.000 0.339 341 M C -0.607 175.812 176.300 0.198 0.000 1.177 341 M CA -0.908 54.471 55.300 0.132 0.000 1.068 341 M CB 2.514 35.209 32.600 0.158 0.000 1.602 341 M HN 0.131 nan 8.290 nan 0.000 0.457 342 L N 3.292 124.620 121.223 0.174 0.000 2.326 342 L HA 0.462 4.807 4.340 0.007 0.000 0.278 342 L C -1.143 175.856 176.870 0.216 0.000 1.092 342 L CA -0.685 54.258 54.840 0.172 0.000 0.810 342 L CB 0.905 43.021 42.059 0.095 0.000 1.153 342 L HN 0.612 nan 8.230 nan 0.000 0.439 343 L N 5.355 126.713 121.223 0.225 0.000 2.294 343 L HA 0.479 4.824 4.340 0.007 0.000 0.283 343 L C -0.625 176.301 176.870 0.093 0.000 1.015 343 L CA 0.105 54.999 54.840 0.089 0.000 0.831 343 L CB 1.168 43.278 42.059 0.086 0.000 1.217 343 L HN 0.621 nan 8.230 nan 0.000 0.420 344 E N 6.345 126.517 120.200 -0.047 0.000 2.166 344 E HA 0.462 4.816 4.350 0.007 0.000 0.275 344 E C -1.560 174.973 176.600 -0.112 0.000 0.941 344 E CA -0.471 55.905 56.400 -0.039 0.000 0.784 344 E CB 1.319 30.989 29.700 -0.050 0.000 1.115 344 E HN 0.771 nan 8.360 nan 0.000 0.399 345 I N 2.485 122.992 120.570 -0.105 0.000 2.534 345 I HA 0.249 4.424 4.170 0.007 0.000 0.286 345 I C 0.642 176.599 176.117 -0.267 0.000 1.094 345 I CA -0.621 60.505 61.300 -0.291 0.000 1.055 345 I CB 2.043 39.791 38.000 -0.418 0.000 1.225 345 I HN 0.779 nan 8.210 nan 0.000 0.435 346 G N 4.077 112.777 108.800 -0.167 0.000 2.341 346 G HA2 -0.093 3.872 3.960 0.007 0.000 0.292 346 G HA3 -0.093 3.872 3.960 0.007 0.000 0.292 346 G C 1.048 176.049 174.900 0.168 0.000 1.021 346 G CA 0.784 45.956 45.100 0.120 0.000 0.905 346 G HN 1.618 nan 8.290 nan 0.000 0.508 347 G N -1.650 107.184 108.800 0.058 0.000 2.320 347 G HA2 -0.265 3.699 3.960 0.007 0.000 0.242 347 G HA3 -0.265 3.699 3.960 0.007 0.000 0.242 347 G C 0.650 175.514 174.900 -0.060 0.000 1.033 347 G CA 0.459 45.581 45.100 0.036 0.000 0.620 347 G HN 1.358 nan 8.290 nan 0.000 0.517 348 L N 1.162 122.298 121.223 -0.144 0.000 2.456 348 L HA 0.466 4.810 4.340 0.007 0.000 0.272 348 L C 0.429 177.098 176.870 -0.335 0.000 1.189 348 L CA 0.196 54.834 54.840 -0.337 0.000 0.846 348 L CB 0.643 42.407 42.059 -0.491 0.000 1.111 348 L HN 0.266 nan 8.230 nan 0.000 0.475 349 E N 2.796 122.727 120.200 -0.448 0.000 2.155 349 E HA 0.343 4.698 4.350 0.007 0.000 0.264 349 E C -1.424 174.907 176.600 -0.448 0.000 0.886 349 E CA -0.389 55.832 56.400 -0.299 0.000 0.752 349 E CB 1.395 31.006 29.700 -0.150 0.000 1.133 349 E HN 0.260 nan 8.360 nan 0.000 0.414 350 F N 2.202 122.136 119.950 -0.027 0.000 2.309 350 F HA 0.101 4.634 4.527 0.009 0.000 0.366 350 F C 1.600 177.443 175.800 0.072 0.000 1.104 350 F CA -0.479 57.532 58.000 0.018 0.000 1.179 350 F CB 0.974 39.970 39.000 -0.006 0.000 1.437 350 F HN 0.437 nan 8.300 nan 0.000 0.528 351 S N 1.511 117.320 115.700 0.182 0.000 2.423 351 S HA 0.083 4.557 4.470 0.007 0.000 0.231 351 S C 0.919 175.650 174.600 0.218 0.000 1.014 351 S CA 0.457 58.758 58.200 0.168 0.000 0.965 351 S CB -0.019 63.257 63.200 0.127 0.000 0.785 351 S HN 0.483 nan 8.310 nan 0.000 0.495 352 A N 0.502 123.497 122.820 0.290 0.000 2.310 352 A HA 0.838 5.163 4.320 0.007 0.000 0.304 352 A C -0.117 177.705 177.584 0.397 0.000 1.231 352 A CA -0.217 52.014 52.037 0.323 0.000 0.799 352 A CB 0.959 20.139 19.000 0.301 0.000 1.162 352 A HN 1.112 nan 8.150 nan 0.000 0.486 353 A N 4.288 127.290 122.820 0.303 0.000 3.330 353 A HA 0.594 4.919 4.320 0.007 0.000 0.256 353 A C -3.082 174.625 177.584 0.205 0.000 1.185 353 A CA -0.830 51.341 52.037 0.224 0.000 0.940 353 A CB 0.299 19.428 19.000 0.215 0.000 1.397 353 A HN 0.519 nan 8.150 nan 0.000 0.678 354 P HA 0.404 nan 4.420 nan 0.000 0.268 354 P C -0.676 176.612 177.300 -0.019 0.000 1.204 354 P CA 0.502 63.548 63.100 -0.089 0.000 0.768 354 P CB 0.175 31.774 31.700 -0.169 0.000 0.842 355 F N -0.140 119.735 119.950 -0.124 0.000 2.577 355 F HA 0.787 5.318 4.527 0.006 0.000 0.318 355 F C -0.503 175.200 175.800 -0.163 0.000 1.065 355 F CA -1.236 56.698 58.000 -0.109 0.000 0.929 355 F CB 1.675 40.507 39.000 -0.280 0.000 1.237 355 F HN 0.391 nan 8.300 nan 0.000 0.468 356 S N 0.508 116.280 115.700 0.120 0.000 2.556 356 S HA 0.955 5.429 4.470 0.007 0.000 0.271 356 S C -0.792 173.772 174.600 -0.059 0.000 1.135 356 S CA -0.118 58.092 58.200 0.016 0.000 0.858 356 S CB 1.511 64.808 63.200 0.162 0.000 1.114 356 S HN 1.509 nan 8.310 nan 0.000 0.468 357 G N 0.115 108.831 108.800 -0.139 0.000 3.310 357 G HA2 0.737 4.701 3.960 0.007 0.000 0.174 357 G HA3 0.737 4.701 3.960 0.007 0.000 0.174 357 G C -1.551 173.340 174.900 -0.015 0.000 1.097 357 G CA -0.382 44.568 45.100 -0.251 0.000 0.795 357 G HN 1.140 nan 8.290 nan 0.000 0.670 358 W N -1.394 119.905 121.300 -0.002 0.000 2.962 358 W HA 0.818 5.481 4.660 0.005 0.000 0.341 358 W C -1.594 174.922 176.519 -0.004 0.000 1.155 358 W CA -2.193 55.165 57.345 0.022 0.000 1.165 358 W CB 0.462 29.980 29.460 0.098 0.000 1.435 358 W HN 0.405 nan 8.180 nan 0.000 0.546 359 Y N 2.630 123.130 120.300 0.334 0.000 2.397 359 Y HA 0.211 4.765 4.550 0.008 0.000 0.335 359 Y C 0.920 176.896 175.900 0.127 0.000 1.213 359 Y CA -0.511 57.667 58.100 0.130 0.000 1.391 359 Y CB 0.982 39.430 38.460 -0.019 0.000 1.293 359 Y HN 0.450 nan 8.280 nan 0.000 0.557 360 M N 2.243 122.005 119.600 0.270 0.000 2.188 360 M HA 0.166 4.651 4.480 0.007 0.000 0.357 360 M C 1.152 177.459 176.300 0.010 0.000 1.204 360 M CA -0.189 55.193 55.300 0.136 0.000 1.095 360 M CB 1.060 33.715 32.600 0.093 0.000 1.604 360 M HN 0.857 nan 8.290 nan 0.000 0.464 361 S N 1.329 116.994 115.700 -0.058 0.000 2.402 361 S HA -0.187 4.287 4.470 0.007 0.000 0.233 361 S C 1.480 175.964 174.600 -0.194 0.000 1.030 361 S CA 2.076 60.168 58.200 -0.180 0.000 1.003 361 S CB -1.287 61.845 63.200 -0.112 0.000 0.813 361 S HN 0.929 nan 8.310 nan 0.000 0.477 362 T N 0.386 114.865 114.554 -0.125 0.000 2.915 362 T HA -0.047 4.307 4.350 0.007 0.000 0.269 362 T C 1.579 176.144 174.700 -0.225 0.000 1.071 362 T CA 1.225 63.207 62.100 -0.197 0.000 1.132 362 T CB -0.618 68.102 68.868 -0.246 0.000 0.878 362 T HN 0.625 nan 8.240 nan 0.000 0.479 363 E N 1.096 121.182 120.200 -0.191 0.000 2.085 363 E HA -0.068 4.287 4.350 0.007 0.000 0.194 363 E C 2.109 178.461 176.600 -0.413 0.000 0.994 363 E CA 1.460 57.745 56.400 -0.192 0.000 0.801 363 E CB -0.362 29.352 29.700 0.024 0.000 0.743 363 E HN 0.586 nan 8.360 nan 0.000 0.453 364 I N 0.385 120.570 120.570 -0.642 0.000 2.270 364 I HA -0.065 4.109 4.170 0.007 0.000 0.239 364 I C 2.630 178.394 176.117 -0.589 0.000 1.080 364 I CA 1.010 61.748 61.300 -0.935 0.000 1.383 364 I CB -0.579 36.763 38.000 -1.097 0.000 1.097 364 I HN 0.112 nan 8.210 nan 0.000 0.420 365 G N 0.211 108.773 108.800 -0.396 0.000 2.408 365 G HA2 -0.159 3.806 3.960 0.007 0.000 0.217 365 G HA3 -0.159 3.806 3.960 0.007 0.000 0.217 365 G C 1.630 176.422 174.900 -0.179 0.000 1.150 365 G CA 1.437 46.399 45.100 -0.230 0.000 0.776 365 G HN 0.295 nan 8.290 nan 0.000 0.542 366 T N 0.149 114.578 114.554 -0.208 0.000 2.898 366 T HA 0.089 4.443 4.350 0.007 0.000 0.241 366 T C 2.540 177.133 174.700 -0.177 0.000 1.024 366 T CA 0.343 62.338 62.100 -0.175 0.000 1.174 366 T CB 0.034 68.785 68.868 -0.195 0.000 0.873 366 T HN 0.006 nan 8.240 nan 0.000 0.422 367 R N 1.895 122.272 120.500 -0.206 0.000 2.056 367 R HA 0.021 4.366 4.340 0.007 0.000 0.227 367 R C 2.096 178.289 176.300 -0.178 0.000 1.149 367 R CA 1.366 57.357 56.100 -0.182 0.000 0.937 367 R CB -1.119 29.081 30.300 -0.167 0.000 0.835 367 R HN 0.398 nan 8.270 nan 0.000 0.430 368 D N 0.990 121.239 120.400 -0.252 0.000 2.123 368 D HA -0.114 4.530 4.640 0.007 0.000 0.196 368 D C 2.123 178.369 176.300 -0.090 0.000 0.992 368 D CA 1.040 54.904 54.000 -0.228 0.000 0.833 368 D CB -0.165 40.211 40.800 -0.707 0.000 0.954 368 D HN 0.170 nan 8.370 nan 0.000 0.455 369 L N -0.272 120.838 121.223 -0.188 0.000 2.209 369 L HA 0.001 4.346 4.340 0.007 0.000 0.207 369 L C 1.978 178.880 176.870 0.053 0.000 1.094 369 L CA 0.522 55.348 54.840 -0.023 0.000 0.790 369 L CB 0.152 42.170 42.059 -0.068 0.000 0.932 369 L HN 0.096 nan 8.230 nan 0.000 0.447 370 C N -1.863 117.425 119.300 -0.018 0.000 3.019 370 C HA 0.167 4.632 4.460 0.007 0.000 0.295 370 C C 0.754 175.723 174.990 -0.034 0.000 1.256 370 C CA -0.945 58.070 59.018 -0.006 0.000 1.706 370 C CB -0.183 27.542 27.740 -0.024 0.000 2.153 370 C HN 0.300 nan 8.230 nan 0.000 0.618 371 D N 2.915 123.258 120.400 -0.095 0.000 2.525 371 D HA 0.026 4.670 4.640 0.007 0.000 0.235 371 D C -1.257 174.981 176.300 -0.103 0.000 1.137 371 D CA -0.990 52.908 54.000 -0.171 0.000 0.868 371 D CB 0.610 41.147 40.800 -0.439 0.000 1.180 371 D HN 0.192 nan 8.370 nan 0.000 0.465 372 P HA -0.133 nan 4.420 nan 0.000 0.220 372 P C 0.704 178.065 177.300 0.101 0.000 1.148 372 P CA 1.236 64.387 63.100 0.085 0.000 0.803 372 P CB -0.016 31.766 31.700 0.136 0.000 0.782 373 H N -2.536 116.548 119.070 0.024 0.000 2.520 373 H HA 0.355 4.916 4.556 0.007 0.000 0.284 373 H C 0.888 176.231 175.328 0.024 0.000 1.037 373 H CA -0.268 55.792 56.048 0.020 0.000 1.168 373 H CB 0.124 29.898 29.762 0.020 0.000 1.497 373 H HN -0.036 nan 8.280 nan 0.000 0.547 374 R N -0.166 120.241 120.500 -0.154 0.000 3.006 374 R HA 0.173 4.517 4.340 0.007 0.000 0.150 374 R C 1.169 177.444 176.300 -0.042 0.000 1.285 374 R CA -0.772 55.286 56.100 -0.070 0.000 0.813 374 R CB -0.776 29.520 30.300 -0.008 0.000 1.582 374 R HN 0.062 nan 8.270 nan 0.000 0.441 375 Y N 1.594 121.916 120.300 0.038 0.000 2.256 375 Y HA -0.138 4.416 4.550 0.008 0.000 0.288 375 Y C 0.877 176.802 175.900 0.042 0.000 1.155 375 Y CA 1.810 59.946 58.100 0.060 0.000 1.203 375 Y CB -0.210 38.326 38.460 0.126 0.000 0.980 375 Y HN 0.584 nan 8.280 nan 0.000 0.530 376 N N 0.412 119.204 118.700 0.154 0.000 2.727 376 N HA -0.212 4.532 4.740 0.007 0.000 0.251 376 N C 0.310 175.895 175.510 0.126 0.000 1.040 376 N CA 0.373 53.484 53.050 0.102 0.000 0.712 376 N CB -1.132 37.396 38.487 0.070 0.000 0.912 376 N HN 0.601 nan 8.380 nan 0.000 0.545 377 I N -3.202 117.454 120.570 0.143 0.000 3.883 377 I HA 0.067 4.242 4.170 0.007 0.000 0.326 377 I C 1.748 177.952 176.117 0.145 0.000 1.283 377 I CA -0.473 60.911 61.300 0.139 0.000 1.161 377 I CB 0.030 38.117 38.000 0.145 0.000 1.012 377 I HN 0.090 nan 8.210 nan 0.000 0.421 378 L N 1.662 122.982 121.223 0.162 0.000 1.989 378 L HA -0.201 4.144 4.340 0.007 0.000 0.211 378 L C 2.554 179.625 176.870 0.334 0.000 1.071 378 L CA 2.023 56.995 54.840 0.221 0.000 0.749 378 L CB -0.962 41.199 42.059 0.169 0.000 0.890 378 L HN 0.446 nan 8.230 nan 0.000 0.431 379 E N -0.947 119.449 120.200 0.327 0.000 2.051 379 E HA -0.240 4.114 4.350 0.007 0.000 0.192 379 E C 1.790 178.420 176.600 0.050 0.000 0.991 379 E CA 1.375 57.888 56.400 0.188 0.000 0.799 379 E CB 0.041 29.796 29.700 0.091 0.000 0.748 379 E HN 0.512 nan 8.360 nan 0.000 0.449 380 D N -0.018 120.411 120.400 0.050 0.000 2.106 380 D HA -0.175 4.470 4.640 0.007 0.000 0.191 380 D C 2.073 178.356 176.300 -0.029 0.000 0.997 380 D CA 1.231 55.226 54.000 -0.008 0.000 0.834 380 D CB -0.386 40.419 40.800 0.009 0.000 0.956 380 D HN 0.106 nan 8.370 nan 0.000 0.448 381 V N 1.483 121.430 119.914 0.056 0.000 2.343 381 V HA -0.222 3.902 4.120 0.007 0.000 0.247 381 V C 2.552 178.706 176.094 0.099 0.000 1.051 381 V CA 1.798 64.168 62.300 0.116 0.000 1.036 381 V CB -0.808 31.171 31.823 0.259 0.000 0.654 381 V HN 0.194 nan 8.190 nan 0.000 0.451 382 A N -0.328 122.576 122.820 0.139 0.000 1.933 382 A HA -0.153 4.172 4.320 0.007 0.000 0.218 382 A C 2.400 179.955 177.584 -0.049 0.000 1.175 382 A CA 1.946 54.059 52.037 0.127 0.000 0.628 382 A CB -0.642 18.537 19.000 0.299 0.000 0.814 382 A HN 0.333 nan 8.150 nan 0.000 0.444 383 V N -0.709 119.127 119.914 -0.130 0.000 2.287 383 V HA -0.355 3.770 4.120 0.007 0.000 0.248 383 V C 2.667 178.603 176.094 -0.262 0.000 1.053 383 V CA 2.198 64.382 62.300 -0.194 0.000 1.027 383 V CB -1.092 30.619 31.823 -0.187 0.000 0.646 383 V HN 0.723 nan 8.190 nan 0.000 0.447 384 C N -0.523 118.543 119.300 -0.390 0.000 2.413 384 C HA -0.187 4.278 4.460 0.007 0.000 0.277 384 C C 2.698 177.279 174.990 -0.683 0.000 1.265 384 C CA 1.154 59.692 59.018 -0.799 0.000 1.752 384 C CB -1.027 25.836 27.740 -1.461 0.000 1.998 384 C HN 0.532 nan 8.230 nan 0.000 0.489 385 M N -0.216 119.229 119.600 -0.257 0.000 2.619 385 M HA -0.005 4.479 4.480 0.007 0.000 0.251 385 M C 0.646 176.946 176.300 0.001 0.000 1.106 385 M CA 1.098 56.432 55.300 0.056 0.000 1.086 385 M CB -0.402 32.320 32.600 0.203 0.000 1.465 385 M HN 0.329 nan 8.290 nan 0.000 0.506 386 D N 0.637 120.984 120.400 -0.090 0.000 2.907 386 D HA -0.138 4.506 4.640 0.007 0.000 0.226 386 D C -0.736 175.538 176.300 -0.043 0.000 1.141 386 D CA 0.355 54.308 54.000 -0.079 0.000 0.779 386 D CB -0.922 39.843 40.800 -0.058 0.000 1.095 386 D HN 0.286 nan 8.370 nan 0.000 0.430 387 L N -0.172 121.031 121.223 -0.033 0.000 2.456 387 L HA 0.356 4.700 4.340 0.007 0.000 0.257 387 L C 0.929 177.743 176.870 -0.093 0.000 1.162 387 L CA -0.592 54.247 54.840 -0.002 0.000 0.808 387 L CB 0.485 42.602 42.059 0.098 0.000 1.136 387 L HN 0.026 nan 8.230 nan 0.000 0.466 388 D N 0.223 120.585 120.400 -0.063 0.000 2.453 388 D HA 0.027 4.671 4.640 0.007 0.000 0.223 388 D C 1.037 177.142 176.300 -0.325 0.000 1.183 388 D CA -0.260 53.662 54.000 -0.130 0.000 0.933 388 D CB 0.690 41.472 40.800 -0.031 0.000 1.038 388 D HN 0.578 nan 8.370 nan 0.000 0.513 389 T N 0.657 114.826 114.554 -0.642 0.000 3.160 389 T HA 0.037 4.391 4.350 0.007 0.000 0.257 389 T C 1.571 175.866 174.700 -0.675 0.000 1.147 389 T CA 0.122 61.385 62.100 -1.395 0.000 1.064 389 T CB 0.065 68.067 68.868 -1.442 0.000 0.949 389 T HN 0.092 nan 8.240 nan 0.000 0.526 390 R N 0.656 120.982 120.500 -0.289 0.000 2.297 390 R HA 0.289 4.634 4.340 0.007 0.000 0.197 390 R C 0.688 177.009 176.300 0.036 0.000 0.943 390 R CA 0.353 56.395 56.100 -0.097 0.000 1.038 390 R CB 0.251 30.503 30.300 -0.079 0.000 0.957 390 R HN 0.425 nan 8.270 nan 0.000 0.484 391 T N -2.254 112.370 114.554 0.116 0.000 2.916 391 T HA 0.153 4.507 4.350 0.007 0.000 0.305 391 T C 1.076 175.968 174.700 0.321 0.000 1.119 391 T CA -0.396 61.811 62.100 0.178 0.000 1.008 391 T CB 1.520 70.450 68.868 0.104 0.000 1.129 391 T HN 0.200 nan 8.240 nan 0.000 0.480 392 T N 0.440 115.126 114.554 0.221 0.000 2.904 392 T HA -0.056 4.299 4.350 0.007 0.000 0.267 392 T C 1.984 176.740 174.700 0.095 0.000 1.059 392 T CA 1.492 63.679 62.100 0.144 0.000 1.137 392 T CB -0.587 68.315 68.868 0.057 0.000 0.879 392 T HN 0.670 nan 8.240 nan 0.000 0.467 393 S N 1.880 117.639 115.700 0.100 0.000 2.607 393 S HA 0.025 4.499 4.470 0.007 0.000 0.224 393 S C 1.995 176.647 174.600 0.085 0.000 0.969 393 S CA 0.505 58.745 58.200 0.067 0.000 0.927 393 S CB -0.733 62.498 63.200 0.052 0.000 0.772 393 S HN 0.722 nan 8.310 nan 0.000 0.533 394 S N 1.573 117.364 115.700 0.151 0.000 2.528 394 S HA 0.239 4.713 4.470 0.007 0.000 0.219 394 S C 0.941 175.628 174.600 0.144 0.000 0.985 394 S CA -0.004 58.294 58.200 0.163 0.000 0.914 394 S CB -0.948 62.384 63.200 0.221 0.000 0.776 394 S HN 0.605 nan 8.310 nan 0.000 0.526 395 L N 1.132 122.402 121.223 0.078 0.000 3.717 395 L HA -0.171 4.173 4.340 0.007 0.000 0.414 395 L C 1.584 178.466 176.870 0.021 0.000 1.228 395 L CA 0.695 55.521 54.840 -0.023 0.000 0.918 395 L CB -2.428 39.627 42.059 -0.006 0.000 1.865 395 L HN 0.744 nan 8.230 nan 0.000 0.922 396 W N -0.189 121.122 121.300 0.018 0.000 2.402 396 W HA -0.131 4.534 4.660 0.007 0.000 0.286 396 W C 1.728 178.263 176.519 0.027 0.000 1.221 396 W CA 1.128 58.486 57.345 0.023 0.000 1.257 396 W CB -0.627 28.843 29.460 0.017 0.000 1.120 396 W HN 0.258 nan 8.180 nan 0.000 0.551 397 K N 1.086 121.080 120.400 -0.676 0.000 2.057 397 K HA -0.152 4.172 4.320 0.007 0.000 0.206 397 K C 1.532 178.007 176.600 -0.208 0.000 1.050 397 K CA 2.350 58.285 56.287 -0.587 0.000 0.935 397 K CB -0.278 31.716 32.500 -0.843 0.000 0.715 397 K HN 0.023 nan 8.250 nan 0.000 0.439 398 D N 0.347 120.646 120.400 -0.168 0.000 2.117 398 D HA -0.110 4.534 4.640 0.007 0.000 0.198 398 D C 1.582 177.877 176.300 -0.008 0.000 0.982 398 D CA 1.131 55.082 54.000 -0.081 0.000 0.828 398 D CB 0.105 40.863 40.800 -0.070 0.000 0.967 398 D HN 0.102 nan 8.370 nan 0.000 0.464 399 K N 0.591 121.012 120.400 0.035 0.000 2.001 399 K HA -0.006 4.318 4.320 0.007 0.000 0.208 399 K C 2.244 178.910 176.600 0.110 0.000 1.048 399 K CA 1.117 57.452 56.287 0.081 0.000 0.932 399 K CB -0.186 32.382 32.500 0.114 0.000 0.715 399 K HN 0.068 nan 8.250 nan 0.000 0.437 400 A N 1.638 124.546 122.820 0.146 0.000 1.908 400 A HA -0.160 4.164 4.320 0.007 0.000 0.218 400 A C 2.391 180.062 177.584 0.144 0.000 1.181 400 A CA 1.984 54.134 52.037 0.189 0.000 0.627 400 A CB -0.798 18.348 19.000 0.244 0.000 0.818 400 A HN 0.356 nan 8.150 nan 0.000 0.445 401 A N -0.630 122.234 122.820 0.074 0.000 1.940 401 A HA -0.020 4.305 4.320 0.007 0.000 0.219 401 A C 2.225 179.830 177.584 0.035 0.000 1.176 401 A CA 1.844 53.901 52.037 0.034 0.000 0.631 401 A CB -0.897 18.084 19.000 -0.031 0.000 0.814 401 A HN 0.409 nan 8.150 nan 0.000 0.446 402 V N 0.311 120.252 119.914 0.045 0.000 2.358 402 V HA -0.197 3.928 4.120 0.007 0.000 0.246 402 V C 2.528 178.666 176.094 0.072 0.000 1.047 402 V CA 2.074 64.406 62.300 0.053 0.000 1.035 402 V CB -0.674 31.185 31.823 0.061 0.000 0.658 402 V HN 0.530 nan 8.190 nan 0.000 0.452 403 E N -0.020 120.245 120.200 0.108 0.000 2.106 403 E HA -0.119 4.236 4.350 0.007 0.000 0.192 403 E C 2.157 178.804 176.600 0.078 0.000 0.984 403 E CA 1.132 57.620 56.400 0.147 0.000 0.806 403 E CB -0.294 29.472 29.700 0.110 0.000 0.750 403 E HN 0.569 nan 8.360 nan 0.000 0.458 404 I N 1.836 122.483 120.570 0.129 0.000 2.179 404 I HA -0.282 3.892 4.170 0.007 0.000 0.242 404 I C 2.204 178.319 176.117 -0.004 0.000 1.088 404 I CA 0.939 62.321 61.300 0.136 0.000 1.357 404 I CB -0.330 37.803 38.000 0.221 0.000 1.051 404 I HN 0.082 nan 8.210 nan 0.000 0.409 405 N N 0.655 119.347 118.700 -0.012 0.000 2.084 405 N HA -0.194 4.551 4.740 0.007 0.000 0.190 405 N C 1.933 177.412 175.510 -0.052 0.000 1.030 405 N CA 1.311 54.336 53.050 -0.042 0.000 0.849 405 N CB -0.266 38.212 38.487 -0.016 0.000 1.012 405 N HN 0.198 nan 8.380 nan 0.000 0.423 406 L N 1.616 122.808 121.223 -0.052 0.000 2.046 406 L HA -0.070 4.274 4.340 0.007 0.000 0.208 406 L C 2.249 179.006 176.870 -0.187 0.000 1.077 406 L CA 1.500 56.273 54.840 -0.112 0.000 0.747 406 L CB -0.869 41.102 42.059 -0.146 0.000 0.896 406 L HN 0.071 nan 8.230 nan 0.000 0.432 407 A N -1.193 121.473 122.820 -0.257 0.000 1.933 407 A HA -0.139 4.185 4.320 0.007 0.000 0.218 407 A C 2.260 179.776 177.584 -0.113 0.000 1.175 407 A CA 1.932 53.764 52.037 -0.342 0.000 0.628 407 A CB -1.073 17.423 19.000 -0.841 0.000 0.814 407 A HN 0.314 nan 8.150 nan 0.000 0.444 408 V N 0.014 119.881 119.914 -0.078 0.000 2.255 408 V HA -0.290 3.835 4.120 0.007 0.000 0.247 408 V C 2.580 178.689 176.094 0.026 0.000 1.051 408 V CA 2.107 64.397 62.300 -0.017 0.000 1.018 408 V CB -0.869 30.857 31.823 -0.162 0.000 0.641 408 V HN 0.575 nan 8.190 nan 0.000 0.445 409 L N -0.515 120.682 121.223 -0.043 0.000 1.989 409 L HA -0.266 4.079 4.340 0.007 0.000 0.211 409 L C 2.652 179.555 176.870 0.054 0.000 1.071 409 L CA 2.362 57.193 54.840 -0.014 0.000 0.749 409 L CB -0.842 41.202 42.059 -0.026 0.000 0.890 409 L HN 0.489 nan 8.230 nan 0.000 0.431 410 H N -0.549 118.478 119.070 -0.073 0.000 2.352 410 H HA -0.149 4.412 4.556 0.008 0.000 0.299 410 H C 2.269 177.585 175.328 -0.021 0.000 1.097 410 H CA 2.010 58.006 56.048 -0.086 0.000 1.311 410 H CB 0.039 29.684 29.762 -0.195 0.000 1.377 410 H HN 0.197 nan 8.280 nan 0.000 0.504 411 S N -0.635 115.012 115.700 -0.088 0.000 2.395 411 S HA -0.042 4.432 4.470 0.007 0.000 0.225 411 S C 1.833 176.389 174.600 -0.074 0.000 1.027 411 S CA 0.814 58.934 58.200 -0.133 0.000 0.965 411 S CB -0.319 62.890 63.200 0.014 0.000 0.812 411 S HN 0.307 nan 8.310 nan 0.000 0.482 412 F N 2.380 122.263 119.950 -0.112 0.000 2.134 412 F HA -0.090 4.441 4.527 0.007 0.000 0.299 412 F C 2.638 178.382 175.800 -0.093 0.000 1.097 412 F CA 1.071 59.031 58.000 -0.067 0.000 1.264 412 F CB -0.636 38.348 39.000 -0.026 0.000 1.001 412 F HN 0.208 nan 8.300 nan 0.000 0.479 413 Q N -0.422 119.419 119.800 0.069 0.000 2.030 413 Q HA -0.241 4.104 4.340 0.007 0.000 0.204 413 Q C 2.258 178.201 176.000 -0.094 0.000 0.986 413 Q CA 1.695 57.485 55.803 -0.022 0.000 0.843 413 Q CB -0.738 27.981 28.738 -0.032 0.000 0.904 413 Q HN 0.311 nan 8.270 nan 0.000 0.420 414 L N 0.652 121.758 121.223 -0.196 0.000 2.043 414 L HA -0.182 4.162 4.340 0.007 0.000 0.212 414 L C 1.977 178.761 176.870 -0.144 0.000 1.075 414 L CA 2.114 56.828 54.840 -0.210 0.000 0.752 414 L CB -0.591 41.255 42.059 -0.355 0.000 0.891 414 L HN 0.177 nan 8.230 nan 0.000 0.432 415 A N -1.420 121.309 122.820 -0.151 0.000 2.238 415 A HA 0.023 4.348 4.320 0.007 0.000 0.208 415 A C 0.688 178.208 177.584 -0.107 0.000 1.177 415 A CA 0.084 52.037 52.037 -0.141 0.000 0.804 415 A CB -0.387 18.490 19.000 -0.204 0.000 0.823 415 A HN 0.442 nan 8.150 nan 0.000 0.482 416 K N -0.857 119.494 120.400 -0.081 0.000 3.244 416 K HA -0.131 4.194 4.320 0.007 0.000 0.270 416 K C -0.760 175.814 176.600 -0.044 0.000 1.016 416 K CA 0.772 57.025 56.287 -0.056 0.000 0.754 416 K CB -2.612 29.855 32.500 -0.056 0.000 1.326 416 K HN 0.268 nan 8.250 nan 0.000 0.465 417 V N 1.116 121.021 119.914 -0.015 0.000 2.487 417 V HA 0.165 4.290 4.120 0.007 0.000 0.298 417 V C 0.739 176.929 176.094 0.160 0.000 1.028 417 V CA -0.734 61.590 62.300 0.040 0.000 0.860 417 V CB 2.065 33.845 31.823 -0.072 0.000 0.991 417 V HN 0.326 nan 8.190 nan 0.000 0.427 418 T N 6.230 120.824 114.554 0.067 0.000 2.934 418 T HA 0.430 4.784 4.350 0.007 0.000 0.306 418 T C -0.241 174.506 174.700 0.079 0.000 1.042 418 T CA 0.827 62.877 62.100 -0.083 0.000 1.145 418 T CB 0.232 68.883 68.868 -0.363 0.000 0.982 418 T HN 0.566 nan 8.240 nan 0.000 0.544 419 I N 2.095 122.650 120.570 -0.024 0.000 2.984 419 I HA 0.650 4.824 4.170 0.007 0.000 0.303 419 I C -1.614 174.512 176.117 0.015 0.000 1.381 419 I CA -0.953 60.363 61.300 0.028 0.000 0.988 419 I CB 2.040 39.963 38.000 -0.128 0.000 1.307 419 I HN 0.447 nan 8.210 nan 0.000 0.460 420 V N 4.506 124.491 119.914 0.120 0.000 2.709 420 V HA 0.477 4.602 4.120 0.007 0.000 0.308 420 V C -1.265 174.872 176.094 0.071 0.000 1.062 420 V CA -0.315 62.056 62.300 0.118 0.000 0.901 420 V CB 2.196 34.170 31.823 0.252 0.000 1.003 420 V HN 0.880 nan 8.190 nan 0.000 0.425 421 D N 3.825 124.242 120.400 0.029 0.000 2.354 421 D HA 0.191 4.835 4.640 0.007 0.000 0.247 421 D C 1.224 177.503 176.300 -0.034 0.000 1.138 421 D CA 0.076 54.069 54.000 -0.011 0.000 0.958 421 D CB 0.475 41.236 40.800 -0.065 0.000 1.144 421 D HN 0.730 nan 8.370 nan 0.000 0.458 422 H N -0.369 118.646 119.070 -0.090 0.000 2.521 422 H HA -0.093 4.468 4.556 0.007 0.000 0.286 422 H C 0.828 176.047 175.328 -0.181 0.000 1.034 422 H CA 1.024 56.973 56.048 -0.165 0.000 1.278 422 H CB -0.435 29.168 29.762 -0.265 0.000 1.386 422 H HN 0.518 nan 8.280 nan 0.000 0.567 423 H N 1.028 119.920 119.070 -0.296 0.000 2.343 423 H HA 0.174 4.734 4.556 0.007 0.000 0.303 423 H C 2.448 177.760 175.328 -0.026 0.000 1.068 423 H CA 1.204 57.168 56.048 -0.140 0.000 1.359 423 H CB -0.079 29.562 29.762 -0.202 0.000 1.402 423 H HN 0.494 nan 8.280 nan 0.000 0.515 424 A N 1.411 124.288 122.820 0.095 0.000 1.930 424 A HA -0.024 4.300 4.320 0.007 0.000 0.217 424 A C 2.663 180.317 177.584 0.117 0.000 1.175 424 A CA 1.458 53.552 52.037 0.095 0.000 0.627 424 A CB -0.709 18.336 19.000 0.076 0.000 0.815 424 A HN 0.410 nan 8.150 nan 0.000 0.443 425 A N -0.089 122.797 122.820 0.109 0.000 1.902 425 A HA -0.124 4.201 4.320 0.007 0.000 0.217 425 A C 2.455 180.127 177.584 0.147 0.000 1.181 425 A CA 2.620 54.736 52.037 0.132 0.000 0.623 425 A CB -1.352 17.711 19.000 0.105 0.000 0.818 425 A HN 0.727 nan 8.150 nan 0.000 0.443 426 T N -2.950 111.678 114.554 0.123 0.000 2.812 426 T HA -0.060 4.295 4.350 0.007 0.000 0.264 426 T C 1.715 176.544 174.700 0.215 0.000 1.042 426 T CA 1.228 63.425 62.100 0.162 0.000 1.140 426 T CB -0.802 68.132 68.868 0.110 0.000 0.870 426 T HN 0.038 nan 8.240 nan 0.000 0.445 427 V N 2.954 122.970 119.914 0.170 0.000 2.282 427 V HA -0.207 3.918 4.120 0.007 0.000 0.249 427 V C 3.211 179.400 176.094 0.158 0.000 1.057 427 V CA 2.377 64.768 62.300 0.152 0.000 1.032 427 V CB -1.012 30.882 31.823 0.118 0.000 0.645 427 V HN 0.821 nan 8.190 nan 0.000 0.447 428 S N -0.860 114.942 115.700 0.171 0.000 2.447 428 S HA -0.169 4.306 4.470 0.007 0.000 0.233 428 S C 1.870 176.605 174.600 0.225 0.000 1.006 428 S CA 1.352 59.655 58.200 0.172 0.000 0.957 428 S CB -0.588 62.713 63.200 0.168 0.000 0.773 428 S HN 0.549 nan 8.310 nan 0.000 0.507 429 F N 1.891 121.903 119.950 0.103 0.000 2.293 429 F HA 0.242 4.774 4.527 0.007 0.000 0.297 429 F C 2.107 177.996 175.800 0.148 0.000 1.089 429 F CA 0.754 58.828 58.000 0.123 0.000 1.377 429 F CB -0.259 38.791 39.000 0.084 0.000 1.051 429 F HN 0.093 nan 8.300 nan 0.000 0.511 430 M N 0.340 120.014 119.600 0.124 0.000 2.117 430 M HA -0.187 4.298 4.480 0.007 0.000 0.262 430 M C 2.220 178.498 176.300 -0.038 0.000 1.065 430 M CA 1.584 56.897 55.300 0.022 0.000 1.114 430 M CB -1.306 31.354 32.600 0.100 0.000 1.361 430 M HN 0.086 nan 8.290 nan 0.000 0.408 431 K N -0.357 120.055 120.400 0.021 0.000 2.057 431 K HA -0.210 4.114 4.320 0.007 0.000 0.207 431 K C 2.005 178.597 176.600 -0.013 0.000 1.049 431 K CA 1.779 58.075 56.287 0.015 0.000 0.931 431 K CB -0.547 31.986 32.500 0.055 0.000 0.714 431 K HN 0.415 nan 8.250 nan 0.000 0.440 432 H N -0.039 118.960 119.070 -0.119 0.000 2.387 432 H HA -0.024 4.536 4.556 0.007 0.000 0.299 432 H C 1.676 176.855 175.328 -0.248 0.000 1.090 432 H CA 2.086 58.041 56.048 -0.156 0.000 1.332 432 H CB -0.123 29.548 29.762 -0.152 0.000 1.386 432 H HN 0.178 nan 8.280 nan 0.000 0.516 433 L N -0.169 120.789 121.223 -0.442 0.000 2.012 433 L HA -0.187 4.157 4.340 0.007 0.000 0.210 433 L C 2.345 179.062 176.870 -0.255 0.000 1.073 433 L CA 1.878 56.473 54.840 -0.409 0.000 0.748 433 L CB -0.494 41.366 42.059 -0.331 0.000 0.891 433 L HN 0.405 nan 8.230 nan 0.000 0.431 434 D N -0.170 120.128 120.400 -0.169 0.000 2.097 434 D HA -0.185 4.459 4.640 0.007 0.000 0.195 434 D C 1.888 178.119 176.300 -0.116 0.000 0.989 434 D CA 1.190 55.123 54.000 -0.110 0.000 0.827 434 D CB 0.042 40.804 40.800 -0.062 0.000 0.966 434 D HN 0.142 nan 8.370 nan 0.000 0.456 435 N N 0.674 119.298 118.700 -0.126 0.000 2.036 435 N HA -0.160 4.585 4.740 0.007 0.000 0.195 435 N C 1.617 177.042 175.510 -0.141 0.000 1.037 435 N CA 1.097 54.086 53.050 -0.103 0.000 0.855 435 N CB -0.388 38.060 38.487 -0.065 0.000 1.033 435 N HN 0.348 nan 8.380 nan 0.000 0.423 436 E N 0.469 120.505 120.200 -0.274 0.000 2.204 436 E HA -0.150 4.205 4.350 0.007 0.000 0.194 436 E C 1.869 178.374 176.600 -0.158 0.000 0.989 436 E CA 0.504 56.748 56.400 -0.259 0.000 0.824 436 E CB -0.082 29.362 29.700 -0.427 0.000 0.756 436 E HN 0.357 nan 8.360 nan 0.000 0.477 437 Q N 1.553 121.269 119.800 -0.141 0.000 2.020 437 Q HA -0.129 4.215 4.340 0.007 0.000 0.202 437 Q C 1.897 177.852 176.000 -0.074 0.000 0.982 437 Q CA 1.767 57.514 55.803 -0.093 0.000 0.838 437 Q CB -0.081 28.610 28.738 -0.079 0.000 0.899 437 Q HN 0.060 nan 8.270 nan 0.000 0.423 438 K N -0.605 119.754 120.400 -0.068 0.000 2.032 438 K HA -0.124 4.201 4.320 0.007 0.000 0.209 438 K C 1.948 178.521 176.600 -0.046 0.000 1.048 438 K CA 1.570 57.828 56.287 -0.049 0.000 0.927 438 K CB -0.350 32.126 32.500 -0.040 0.000 0.712 438 K HN 0.300 nan 8.250 nan 0.000 0.441 439 A N 0.468 123.260 122.820 -0.047 0.000 1.898 439 A HA -0.029 4.296 4.320 0.007 0.000 0.214 439 A C 1.802 179.362 177.584 -0.040 0.000 1.183 439 A CA 1.128 53.148 52.037 -0.029 0.000 0.622 439 A CB 0.008 19.008 19.000 -0.000 0.000 0.824 439 A HN 0.144 nan 8.150 nan 0.000 0.444 440 R N -2.430 118.033 120.500 -0.062 0.000 2.469 440 R HA 0.252 4.596 4.340 0.007 0.000 0.250 440 R C 0.787 177.049 176.300 -0.064 0.000 0.909 440 R CA 0.577 56.641 56.100 -0.059 0.000 1.050 440 R CB 0.680 30.939 30.300 -0.069 0.000 1.256 440 R HN 0.695 nan 8.270 nan 0.000 0.550 441 G N 1.050 109.806 108.800 -0.073 0.000 2.171 441 G HA2 -0.144 3.820 3.960 0.007 0.000 0.238 441 G HA3 -0.144 3.820 3.960 0.007 0.000 0.238 441 G C 0.168 175.031 174.900 -0.061 0.000 1.039 441 G CA 0.040 45.089 45.100 -0.086 0.000 0.759 441 G HN 0.720 nan 8.290 nan 0.000 0.501 442 G N -2.390 106.388 108.800 -0.037 0.000 2.352 442 G HA2 0.535 4.499 3.960 0.007 0.000 0.302 442 G HA3 0.535 4.499 3.960 0.007 0.000 0.302 442 G C -0.739 174.175 174.900 0.024 0.000 1.370 442 G CA 0.363 45.477 45.100 0.023 0.000 0.918 442 G HN 1.994 nan 8.290 nan 0.000 0.610 443 C N 2.123 121.465 119.300 0.070 0.000 2.705 443 C HA 0.745 5.209 4.460 0.007 0.000 0.369 443 C C -2.525 172.461 174.990 -0.007 0.000 1.069 443 C CA -1.184 57.829 59.018 -0.007 0.000 1.260 443 C CB 1.226 28.900 27.740 -0.110 0.000 1.764 443 C HN 0.728 nan 8.230 nan 0.000 0.469 444 P HA 0.449 nan 4.420 nan 0.000 0.271 444 P C -0.735 176.476 177.300 -0.148 0.000 1.216 444 P CA 0.470 63.234 63.100 -0.559 0.000 0.771 444 P CB 1.166 32.248 31.700 -1.030 0.000 0.864 445 A N 2.151 124.948 122.820 -0.038 0.000 2.532 445 A HA 0.358 4.683 4.320 0.007 0.000 0.296 445 A C -1.293 176.369 177.584 0.131 0.000 1.058 445 A CA -0.556 51.554 52.037 0.122 0.000 0.729 445 A CB 1.106 20.279 19.000 0.289 0.000 1.285 445 A HN 0.437 nan 8.150 nan 0.000 0.396 446 D N 2.114 122.583 120.400 0.115 0.000 2.467 446 D HA 0.167 4.812 4.640 0.007 0.000 0.220 446 D C 0.824 177.275 176.300 0.252 0.000 1.103 446 D CA -0.385 53.713 54.000 0.164 0.000 0.886 446 D CB 0.405 41.252 40.800 0.078 0.000 1.025 446 D HN 0.619 nan 8.370 nan 0.000 0.514 447 W N 4.213 125.574 121.300 0.101 0.000 2.318 447 W HA -0.265 4.400 4.660 0.008 0.000 0.313 447 W C 1.955 178.522 176.519 0.080 0.000 1.221 447 W CA 2.125 59.513 57.345 0.073 0.000 1.266 447 W CB 0.073 29.550 29.460 0.028 0.000 1.150 447 W HN 0.548 nan 8.180 nan 0.000 0.496 448 A N -1.139 121.972 122.820 0.485 0.000 1.978 448 A HA -0.211 4.113 4.320 0.007 0.000 0.220 448 A C 1.492 179.136 177.584 0.101 0.000 1.170 448 A CA 1.693 53.930 52.037 0.334 0.000 0.636 448 A CB -1.258 17.962 19.000 0.367 0.000 0.810 448 A HN 0.551 nan 8.150 nan 0.000 0.448 449 W N -1.022 120.258 121.300 -0.033 0.000 2.704 449 W HA 0.200 4.864 4.660 0.007 0.000 0.266 449 W C 1.841 178.254 176.519 -0.177 0.000 1.266 449 W CA -0.064 57.236 57.345 -0.074 0.000 1.377 449 W CB 0.027 29.472 29.460 -0.024 0.000 1.082 449 W HN 0.132 nan 8.180 nan 0.000 0.608 450 I N -0.154 120.381 120.570 -0.058 0.000 2.353 450 I HA -0.069 4.105 4.170 0.007 0.000 0.248 450 I C 0.683 176.600 176.117 -0.333 0.000 1.119 450 I CA 0.768 61.905 61.300 -0.272 0.000 1.417 450 I CB -1.464 36.319 38.000 -0.362 0.000 1.078 450 I HN -0.415 nan 8.210 nan 0.000 0.421 451 V N 4.126 123.761 119.914 -0.465 0.000 2.521 451 V HA 0.066 4.191 4.120 0.007 0.000 0.286 451 V C -1.842 174.075 176.094 -0.294 0.000 1.034 451 V CA -0.958 61.062 62.300 -0.468 0.000 1.045 451 V CB 0.169 31.499 31.823 -0.823 0.000 0.974 451 V HN 0.127 nan 8.190 nan 0.000 0.480 452 P HA 0.187 nan 4.420 nan 0.000 0.272 452 P C -1.998 175.164 177.300 -0.229 0.000 1.230 452 P CA -1.290 61.674 63.100 -0.226 0.000 0.788 452 P CB 0.053 31.605 31.700 -0.246 0.000 0.949 453 P HA 0.073 nan 4.420 nan 0.000 0.241 453 P C 0.135 177.309 177.300 -0.210 0.000 1.191 453 P CA 0.761 63.736 63.100 -0.208 0.000 0.771 453 P CB 0.012 31.586 31.700 -0.210 0.000 0.929 454 I N -6.361 114.036 120.570 -0.289 0.000 2.740 454 I HA 0.537 4.712 4.170 0.007 0.000 0.303 454 I C 0.205 176.162 176.117 -0.266 0.000 1.044 454 I CA -1.126 60.015 61.300 -0.265 0.000 1.064 454 I CB 1.900 39.731 38.000 -0.283 0.000 1.249 454 I HN -0.401 nan 8.210 nan 0.000 0.433 455 S N 2.236 117.844 115.700 -0.153 0.000 3.445 455 S HA -0.207 4.267 4.470 0.007 0.000 0.319 455 S C 1.448 175.992 174.600 -0.093 0.000 1.209 455 S CA 0.878 59.031 58.200 -0.079 0.000 0.934 455 S CB -1.763 61.451 63.200 0.024 0.000 0.999 455 S HN 1.352 nan 8.310 nan 0.000 0.582 456 G N 2.237 110.960 108.800 -0.128 0.000 2.808 456 G HA2 -0.417 3.548 3.960 0.007 0.000 0.225 456 G HA3 -0.417 3.548 3.960 0.007 0.000 0.225 456 G C 1.438 176.207 174.900 -0.219 0.000 1.210 456 G CA 2.041 47.079 45.100 -0.103 0.000 0.777 456 G HN 1.451 nan 8.290 nan 0.000 0.640 457 S N -0.268 115.046 115.700 -0.644 0.000 2.607 457 S HA 0.183 4.657 4.470 0.007 0.000 0.224 457 S C 1.944 176.462 174.600 -0.136 0.000 0.969 457 S CA 0.716 58.375 58.200 -0.901 0.000 0.927 457 S CB 0.040 62.506 63.200 -1.224 0.000 0.772 457 S HN 0.081 nan 8.310 nan 0.000 0.533 458 L N 2.571 123.772 121.223 -0.038 0.000 2.554 458 L HA 0.245 4.589 4.340 0.007 0.000 0.226 458 L C 1.317 178.310 176.870 0.205 0.000 1.137 458 L CA 0.694 55.605 54.840 0.118 0.000 0.863 458 L CB -0.985 41.169 42.059 0.159 0.000 0.985 458 L HN 0.604 nan 8.230 nan 0.000 0.451 459 T N -4.481 110.175 114.554 0.169 0.000 2.925 459 T HA 0.376 4.730 4.350 0.007 0.000 0.285 459 T C -1.720 173.140 174.700 0.268 0.000 1.021 459 T CA -1.912 60.306 62.100 0.197 0.000 1.042 459 T CB 1.894 70.825 68.868 0.104 0.000 1.037 459 T HN -0.157 nan 8.240 nan 0.000 0.481 460 P HA -0.072 nan 4.420 nan 0.000 0.220 460 P C 1.824 179.337 177.300 0.354 0.000 1.148 460 P CA 0.928 64.226 63.100 0.331 0.000 0.803 460 P CB -0.365 31.475 31.700 0.233 0.000 0.782 461 V N -3.777 116.288 119.914 0.252 0.000 2.759 461 V HA -0.189 3.935 4.120 0.007 0.000 0.256 461 V C 2.300 178.495 176.094 0.169 0.000 1.080 461 V CA 1.147 63.570 62.300 0.204 0.000 1.101 461 V CB -2.211 29.675 31.823 0.105 0.000 0.698 461 V HN -0.122 nan 8.190 nan 0.000 0.477 462 F N 2.022 121.958 119.950 -0.023 0.000 2.161 462 F HA -0.173 4.358 4.527 0.007 0.000 0.300 462 F C 2.383 178.278 175.800 0.159 0.000 1.089 462 F CA 2.255 60.234 58.000 -0.036 0.000 1.282 462 F CB -0.238 38.601 39.000 -0.269 0.000 1.010 462 F HN 0.326 nan 8.300 nan 0.000 0.485 463 H N -1.130 118.245 119.070 0.508 0.000 2.526 463 H HA 0.134 4.695 4.556 0.007 0.000 0.274 463 H C 0.179 175.754 175.328 0.412 0.000 0.999 463 H CA 0.077 56.392 56.048 0.444 0.000 1.157 463 H CB -0.120 29.896 29.762 0.424 0.000 1.407 463 H HN 0.237 nan 8.280 nan 0.000 0.568 464 Q N 2.091 122.171 119.800 0.466 0.000 2.368 464 Q HA 0.160 4.504 4.340 0.007 0.000 0.256 464 Q C -0.560 175.683 176.000 0.405 0.000 0.980 464 Q CA -0.423 55.609 55.803 0.381 0.000 0.887 464 Q CB 0.729 29.654 28.738 0.311 0.000 1.221 464 Q HN 0.243 nan 8.270 nan 0.000 0.458 465 E N 3.285 123.668 120.200 0.306 0.000 2.415 465 E HA 0.186 4.541 4.350 0.007 0.000 0.262 465 E C -0.484 176.258 176.600 0.238 0.000 1.038 465 E CA 0.482 57.015 56.400 0.221 0.000 0.921 465 E CB 0.722 30.527 29.700 0.175 0.000 0.950 465 E HN 0.591 nan 8.360 nan 0.000 0.438 466 M N 1.533 121.276 119.600 0.239 0.000 2.446 466 M HA 0.332 4.817 4.480 0.007 0.000 0.294 466 M C -1.229 175.193 176.300 0.203 0.000 1.158 466 M CA -0.960 54.490 55.300 0.250 0.000 0.899 466 M CB 2.358 35.167 32.600 0.349 0.000 1.687 466 M HN 0.159 nan 8.290 nan 0.000 0.455 467 V N 1.791 121.836 119.914 0.219 0.000 2.427 467 V HA 0.424 4.548 4.120 0.007 0.000 0.286 467 V C -0.458 175.798 176.094 0.271 0.000 1.034 467 V CA -0.683 61.780 62.300 0.272 0.000 0.893 467 V CB 1.544 33.577 31.823 0.349 0.000 0.982 467 V HN 0.881 nan 8.190 nan 0.000 0.452 468 N N 3.187 122.038 118.700 0.250 0.000 2.342 468 N HA 0.702 5.446 4.740 0.007 0.000 0.293 468 N C -1.790 173.854 175.510 0.224 0.000 1.026 468 N CA -0.424 52.687 53.050 0.102 0.000 0.857 468 N CB 1.905 40.442 38.487 0.084 0.000 1.256 468 N HN 0.740 nan 8.380 nan 0.000 0.484 469 Y N 0.645 120.970 120.300 0.042 0.000 2.662 469 Y HA 0.437 4.992 4.550 0.007 0.000 0.334 469 Y C -1.515 174.395 175.900 0.016 0.000 1.185 469 Y CA -1.113 57.006 58.100 0.030 0.000 1.074 469 Y CB 0.492 38.973 38.460 0.035 0.000 1.330 469 Y HN 0.215 nan 8.280 nan 0.000 0.458 470 I N 3.824 124.471 120.570 0.128 0.000 2.312 470 I HA 0.359 4.534 4.170 0.007 0.000 0.291 470 I C -0.499 175.671 176.117 0.089 0.000 1.031 470 I CA -0.266 61.058 61.300 0.040 0.000 1.293 470 I CB 0.624 38.647 38.000 0.038 0.000 1.403 470 I HN 0.444 nan 8.210 nan 0.000 0.484 471 L N 5.007 126.245 121.223 0.025 0.000 2.352 471 L HA 0.585 4.930 4.340 0.007 0.000 0.269 471 L C 0.172 177.035 176.870 -0.012 0.000 1.034 471 L CA -0.524 54.341 54.840 0.042 0.000 0.806 471 L CB 1.768 43.848 42.059 0.035 0.000 1.244 471 L HN 0.491 nan 8.230 nan 0.000 0.447 472 S N 0.540 116.245 115.700 0.008 0.000 2.536 472 S HA 0.615 5.090 4.470 0.007 0.000 0.298 472 S C -2.589 172.021 174.600 0.016 0.000 1.083 472 S CA -1.482 56.710 58.200 -0.013 0.000 0.995 472 S CB 1.858 65.069 63.200 0.018 0.000 1.058 472 S HN 0.219 nan 8.310 nan 0.000 0.488 473 P HA 0.313 nan 4.420 nan 0.000 0.267 473 P C -1.343 175.823 177.300 -0.223 0.000 1.201 473 P CA 0.095 63.099 63.100 -0.159 0.000 0.775 473 P CB 0.410 31.965 31.700 -0.242 0.000 0.854 474 A N 1.628 124.284 122.820 -0.274 0.000 2.572 474 A HA 0.672 4.997 4.320 0.007 0.000 0.295 474 A C -1.403 175.954 177.584 -0.380 0.000 1.072 474 A CA -0.510 51.359 52.037 -0.280 0.000 0.691 474 A CB 0.758 19.678 19.000 -0.133 0.000 1.291 474 A HN 0.274 nan 8.150 nan 0.000 0.404 475 F N 1.215 121.077 119.950 -0.147 0.000 2.410 475 F HA 0.596 5.127 4.527 0.006 0.000 0.348 475 F C 1.136 176.830 175.800 -0.177 0.000 1.106 475 F CA 0.344 58.255 58.000 -0.149 0.000 1.163 475 F CB 1.219 40.093 39.000 -0.210 0.000 1.129 475 F HN 0.498 nan 8.300 nan 0.000 0.516 476 R N 1.766 122.294 120.500 0.047 0.000 2.854 476 R HA 0.459 4.803 4.340 0.007 0.000 0.271 476 R C -1.370 174.886 176.300 -0.072 0.000 0.996 476 R CA -1.207 54.864 56.100 -0.049 0.000 0.961 476 R CB 1.600 31.907 30.300 0.011 0.000 1.182 476 R HN 0.428 nan 8.270 nan 0.000 0.479 477 Y N 1.356 121.675 120.300 0.031 0.000 2.326 477 Y HA 0.094 4.649 4.550 0.008 0.000 0.333 477 Y C 0.628 176.523 175.900 -0.007 0.000 1.240 477 Y CA 0.116 58.222 58.100 0.010 0.000 1.365 477 Y CB 0.798 39.250 38.460 -0.013 0.000 1.289 477 Y HN 0.399 nan 8.280 nan 0.000 0.548 478 Q N 2.333 122.225 119.800 0.153 0.000 2.389 478 Q HA 0.572 4.917 4.340 0.007 0.000 0.277 478 Q C -3.010 172.961 176.000 -0.048 0.000 1.082 478 Q CA -2.475 53.349 55.803 0.036 0.000 0.810 478 Q CB 2.018 30.764 28.738 0.014 0.000 1.374 478 Q HN 0.334 nan 8.270 nan 0.000 0.422 479 P HA 0.038 nan 4.420 nan 0.000 0.268 479 P C -0.648 176.435 177.300 -0.363 0.000 1.204 479 P CA -0.024 62.948 63.100 -0.214 0.000 0.768 479 P CB 0.467 32.053 31.700 -0.191 0.000 0.842 480 D N 4.661 124.723 120.400 -0.564 0.000 2.703 480 D HA -0.079 4.566 4.640 0.007 0.000 0.225 480 D C -1.274 174.385 176.300 -1.068 0.000 1.119 480 D CA -0.164 53.198 54.000 -1.063 0.000 0.845 480 D CB 0.088 39.803 40.800 -1.808 0.000 1.182 480 D HN 0.302 nan 8.370 nan 0.000 0.493 481 P HA -0.003 nan 4.420 nan 0.000 0.230 481 P C -0.006 176.940 177.300 -0.591 0.000 1.158 481 P CA 0.609 63.277 63.100 -0.719 0.000 0.769 481 P CB 0.096 31.265 31.700 -0.885 0.000 0.807 482 W N 0.000 120.937 121.300 -0.605 0.000 2.388 482 W HA 0.000 4.664 4.660 0.007 0.000 0.303 482 W CA 0.000 57.119 57.345 -0.377 0.000 1.226 482 W CB 0.000 29.220 29.460 -0.400 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535