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 2zah_1_B DATA FIRST_RESID 95 DATA SEQUENCE SVKIVHREFI ASVLPSNDLT VNNGDVNIGK YRVNPSNNAL FTWLQGQAQL DATA SEQUENCE YDMYRFTRLR FTYIPTTGST STGRVSILWD RDSQDPLPID RAAISSYAHY DATA SEQUENCE ADSAPWAENV LVVPCDNTWR YMNDTNAVDR KLVDFGQFLF ATYSGAGATA DATA SEQUENCE HGDLYVEYAV EFKDPQPIAG MVCMFDRLVS FSEVGSTIKG VNYIADRDVI DATA SEQUENCE TTGGNIGVNI NIPGTYLVTI VLNATSIGSL TFTGNSKLVG NSLNVTSSGA DATA SEQUENCE SALTFTLNST GVPNSSNSSF SVGTVVALTR VRMTITRCSP ETAYLA 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 95 S HA 0.000 nan 4.470 nan 0.000 0.327 95 S C 0.000 174.631 174.600 0.052 0.000 1.055 95 S CA 0.000 58.267 58.200 0.111 0.000 1.107 95 S CB 0.000 63.246 63.200 0.077 0.000 0.593 96 V N 4.085 124.011 119.914 0.020 0.000 2.385 96 V HA 0.440 4.560 4.120 0.000 0.000 0.269 96 V C -0.522 175.478 176.094 -0.156 0.000 1.043 96 V CA 0.080 62.333 62.300 -0.079 0.000 0.906 96 V CB 0.900 32.613 31.823 -0.183 0.000 0.995 96 V HN 0.245 nan 8.190 nan 0.000 0.467 97 K N 6.103 126.426 120.400 -0.129 0.000 2.281 97 K HA 0.621 4.941 4.320 0.000 0.000 0.272 97 K C -0.933 175.564 176.600 -0.173 0.000 1.048 97 K CA -0.265 55.931 56.287 -0.151 0.000 0.898 97 K CB 1.514 33.962 32.500 -0.087 0.000 1.128 97 K HN 0.525 nan 8.250 nan 0.000 0.460 98 I N 3.123 123.546 120.570 -0.244 0.000 2.404 98 I HA 0.286 4.456 4.170 0.000 0.000 0.293 98 I C -0.461 175.590 176.117 -0.110 0.000 0.992 98 I CA -1.130 60.066 61.300 -0.173 0.000 1.149 98 I CB 1.889 39.725 38.000 -0.272 0.000 1.315 98 I HN 0.282 nan 8.210 nan 0.000 0.446 99 V N 4.222 124.068 119.914 -0.114 0.000 2.656 99 V HA 0.741 4.861 4.120 0.000 0.000 0.307 99 V C -1.379 174.550 176.094 -0.275 0.000 1.051 99 V CA -0.112 62.055 62.300 -0.221 0.000 0.893 99 V CB 1.761 33.478 31.823 -0.177 0.000 0.999 99 V HN 0.891 nan 8.190 nan 0.000 0.426 100 H N 3.340 121.961 119.070 -0.749 0.000 3.003 100 H HA 0.701 5.257 4.556 0.000 0.000 0.327 100 H C -1.442 173.471 175.328 -0.692 0.000 1.353 100 H CA -0.580 55.029 56.048 -0.732 0.000 1.142 100 H CB 1.733 31.050 29.762 -0.742 0.000 1.864 100 H HN 0.974 nan 8.280 nan 0.000 0.529 101 R N 2.296 122.162 120.500 -1.057 0.000 2.628 101 R HA 0.376 4.716 4.340 0.000 0.000 0.288 101 R C -1.393 174.545 176.300 -0.604 0.000 0.980 101 R CA -0.493 55.249 56.100 -0.597 0.000 0.891 101 R CB 1.570 31.599 30.300 -0.452 0.000 1.188 101 R HN 0.952 nan 8.270 nan 0.000 0.450 102 E N 3.799 123.991 120.200 -0.014 0.000 2.390 102 E HA 0.225 4.575 4.350 0.000 0.000 0.277 102 E C -1.453 175.365 176.600 0.363 0.000 0.939 102 E CA -0.833 55.702 56.400 0.226 0.000 0.769 102 E CB 1.413 31.396 29.700 0.472 0.000 1.251 102 E HN 0.296 nan 8.360 nan 0.000 0.450 103 F N 2.357 122.438 119.950 0.219 0.000 2.443 103 F HA 0.340 4.867 4.527 0.000 0.000 0.353 103 F C 0.206 175.976 175.800 -0.051 0.000 1.101 103 F CA -0.265 57.715 58.000 -0.034 0.000 1.226 103 F CB 0.558 39.544 39.000 -0.025 0.000 1.140 103 F HN 0.584 nan 8.300 nan 0.000 0.557 104 I N 3.236 123.222 120.570 -0.974 0.000 3.196 104 I HA 0.423 4.593 4.170 0.000 0.000 0.248 104 I C 0.398 175.921 176.117 -0.990 0.000 1.105 104 I CA 0.279 61.142 61.300 -0.730 0.000 1.482 104 I CB -0.148 37.543 38.000 -0.515 0.000 1.400 104 I HN 0.643 nan 8.210 nan 0.000 0.464 105 A N -0.156 121.945 122.820 -1.197 0.000 2.608 105 A HA 0.664 4.984 4.320 0.000 0.000 0.292 105 A C -1.071 176.275 177.584 -0.396 0.000 1.066 105 A CA -0.407 51.222 52.037 -0.680 0.000 0.676 105 A CB 1.125 19.975 19.000 -0.251 0.000 1.277 105 A HN 0.015 nan 8.150 nan 0.000 0.413 106 S N 0.147 115.855 115.700 0.013 0.000 2.525 106 S HA 0.505 4.975 4.470 0.000 0.000 0.278 106 S C -0.127 174.470 174.600 -0.005 0.000 1.234 106 S CA -0.491 57.765 58.200 0.094 0.000 1.058 106 S CB 1.334 64.649 63.200 0.191 0.000 0.983 106 S HN 0.751 nan 8.310 nan 0.000 0.495 107 V N 4.643 124.558 119.914 0.003 0.000 2.389 107 V HA 0.192 4.312 4.120 0.000 0.000 0.264 107 V C -0.148 175.997 176.094 0.086 0.000 1.049 107 V CA -0.672 61.662 62.300 0.057 0.000 0.932 107 V CB 0.368 32.249 31.823 0.097 0.000 1.011 107 V HN 0.589 nan 8.190 nan 0.000 0.475 108 L N 9.102 130.378 121.223 0.089 0.000 2.380 108 L HA 0.434 4.774 4.340 0.000 0.000 0.273 108 L C -1.977 174.827 176.870 -0.111 0.000 1.138 108 L CA -1.854 52.978 54.840 -0.012 0.000 0.832 108 L CB 0.613 42.695 42.059 0.039 0.000 1.124 108 L HN 0.412 nan 8.230 nan 0.000 0.454 109 P HA 0.222 nan 4.420 nan 0.000 0.270 109 P C -1.016 176.239 177.300 -0.076 0.000 1.223 109 P CA -0.258 62.617 63.100 -0.375 0.000 0.785 109 P CB 0.867 32.308 31.700 -0.432 0.000 0.923 110 S N 0.761 116.471 115.700 0.016 0.000 2.542 110 S HA 0.261 4.731 4.470 0.000 0.000 0.276 110 S C 0.378 175.027 174.600 0.082 0.000 1.148 110 S CA -0.617 57.612 58.200 0.049 0.000 0.886 110 S CB 0.662 63.897 63.200 0.060 0.000 1.109 110 S HN 0.316 nan 8.310 nan 0.000 0.458 111 N N 2.312 121.055 118.700 0.072 0.000 2.182 111 N HA 0.066 4.806 4.740 0.000 0.000 0.186 111 N C -0.141 175.433 175.510 0.107 0.000 1.036 111 N CA 1.095 54.196 53.050 0.085 0.000 0.850 111 N CB -0.317 38.207 38.487 0.062 0.000 1.010 111 N HN 0.712 nan 8.380 nan 0.000 0.432 112 D N 0.749 121.194 120.400 0.075 0.000 2.361 112 D HA 0.010 4.650 4.640 0.000 0.000 0.239 112 D C 0.135 176.486 176.300 0.085 0.000 1.200 112 D CA -0.362 53.676 54.000 0.063 0.000 0.915 112 D CB 0.688 41.505 40.800 0.030 0.000 1.170 112 D HN 0.053 nan 8.370 nan 0.000 0.444 113 L N 1.003 122.258 121.223 0.054 0.000 2.499 113 L HA 0.127 4.467 4.340 0.000 0.000 0.273 113 L C -0.121 176.761 176.870 0.020 0.000 1.195 113 L CA 0.904 55.772 54.840 0.047 0.000 0.882 113 L CB 0.296 42.324 42.059 -0.053 0.000 1.133 113 L HN 0.213 nan 8.230 nan 0.000 0.483 114 T N 4.781 119.353 114.554 0.030 0.000 2.949 114 T HA 0.447 4.797 4.350 0.000 0.000 0.300 114 T C -0.766 173.886 174.700 -0.079 0.000 0.988 114 T CA -0.421 61.669 62.100 -0.016 0.000 0.993 114 T CB 1.215 70.092 68.868 0.015 0.000 0.984 114 T HN 0.330 nan 8.240 nan 0.000 0.442 115 V N 4.445 124.265 119.914 -0.157 0.000 2.481 115 V HA 0.343 4.463 4.120 0.000 0.000 0.286 115 V C 0.449 176.284 176.094 -0.431 0.000 1.042 115 V CA -0.857 61.265 62.300 -0.297 0.000 0.928 115 V CB 1.000 32.673 31.823 -0.250 0.000 0.986 115 V HN 0.996 nan 8.190 nan 0.000 0.462 116 N N 4.157 122.313 118.700 -0.906 0.000 2.725 116 N HA -0.200 4.540 4.740 0.000 0.000 0.251 116 N C 0.460 175.723 175.510 -0.411 0.000 1.031 116 N CA 0.951 53.377 53.050 -1.040 0.000 0.720 116 N CB -1.300 36.930 38.487 -0.428 0.000 0.930 116 N HN 0.830 nan 8.380 nan 0.000 0.543 117 N N -1.541 117.023 118.700 -0.226 0.000 2.708 117 N HA -0.238 4.503 4.740 0.000 0.000 0.249 117 N C 1.139 176.653 175.510 0.007 0.000 1.097 117 N CA 2.215 55.315 53.050 0.083 0.000 0.710 117 N CB -1.319 37.325 38.487 0.260 0.000 1.032 117 N HN 0.982 nan 8.380 nan 0.000 0.551 118 G N -0.890 107.872 108.800 -0.064 0.000 2.199 118 G HA2 -0.315 3.645 3.960 0.000 0.000 0.254 118 G HA3 -0.315 3.645 3.960 0.000 0.000 0.254 118 G C -0.260 174.603 174.900 -0.061 0.000 0.982 118 G CA 0.347 45.416 45.100 -0.052 0.000 0.632 118 G HN 0.611 nan 8.290 nan 0.000 0.529 119 D N 0.416 120.771 120.400 -0.075 0.000 2.425 119 D HA 0.369 5.009 4.640 0.000 0.000 0.247 119 D C 1.387 177.623 176.300 -0.107 0.000 1.147 119 D CA 0.227 54.177 54.000 -0.083 0.000 0.879 119 D CB 1.535 42.278 40.800 -0.094 0.000 1.179 119 D HN 0.047 nan 8.370 nan 0.000 0.456 120 V N 3.908 123.771 119.914 -0.085 0.000 3.354 120 V HA -0.016 4.104 4.120 0.000 0.000 0.258 120 V C 0.571 176.614 176.094 -0.085 0.000 1.159 120 V CA 0.235 62.487 62.300 -0.080 0.000 1.125 120 V CB -0.541 31.248 31.823 -0.057 0.000 0.774 120 V HN 0.530 nan 8.190 nan 0.000 0.464 121 N N 0.206 118.851 118.700 -0.092 0.000 2.483 121 N HA 0.143 4.883 4.740 0.000 0.000 0.264 121 N C 0.965 176.414 175.510 -0.102 0.000 1.197 121 N CA -0.086 52.912 53.050 -0.087 0.000 0.927 121 N CB 1.094 39.529 38.487 -0.086 0.000 1.065 121 N HN 0.184 nan 8.380 nan 0.000 0.461 122 I N 1.050 121.574 120.570 -0.076 0.000 2.315 122 I HA -0.137 4.033 4.170 0.000 0.000 0.248 122 I C 2.015 178.090 176.117 -0.071 0.000 1.117 122 I CA 1.016 62.273 61.300 -0.072 0.000 1.404 122 I CB -0.085 37.885 38.000 -0.050 0.000 1.071 122 I HN 0.713 nan 8.210 nan 0.000 0.419 123 G N -0.204 108.558 108.800 -0.062 0.000 3.233 123 G HA2 -0.053 3.907 3.960 0.000 0.000 0.227 123 G HA3 -0.053 3.907 3.960 0.000 0.000 0.227 123 G C 1.444 176.297 174.900 -0.078 0.000 1.175 123 G CA -0.234 44.841 45.100 -0.042 0.000 0.781 123 G HN 0.022 nan 8.290 nan 0.000 0.542 124 K N 0.460 120.750 120.400 -0.183 0.000 2.052 124 K HA -0.178 4.142 4.320 0.000 0.000 0.215 124 K C 0.291 176.614 176.600 -0.462 0.000 1.053 124 K CA 1.232 57.279 56.287 -0.401 0.000 0.934 124 K CB -0.222 31.904 32.500 -0.624 0.000 0.717 124 K HN 0.444 nan 8.250 nan 0.000 0.450 125 Y N 1.596 121.922 120.300 0.044 0.000 2.781 125 Y HA 0.200 4.750 4.550 0.000 0.000 0.326 125 Y C -0.131 175.848 175.900 0.131 0.000 1.019 125 Y CA -0.651 57.514 58.100 0.108 0.000 1.372 125 Y CB -0.128 38.453 38.460 0.202 0.000 1.260 125 Y HN -0.001 nan 8.280 nan 0.000 0.546 126 R N -0.006 120.610 120.500 0.193 0.000 2.502 126 R HA 0.171 4.511 4.340 0.000 0.000 0.292 126 R C 0.110 176.601 176.300 0.317 0.000 0.998 126 R CA -0.281 55.946 56.100 0.213 0.000 1.056 126 R CB 0.705 31.100 30.300 0.159 0.000 0.939 126 R HN 0.208 nan 8.270 nan 0.000 0.411 127 V N 3.297 123.447 119.914 0.394 0.000 2.341 127 V HA 0.160 4.280 4.120 0.000 0.000 0.248 127 V C -0.654 175.751 176.094 0.518 0.000 1.107 127 V CA 0.068 62.667 62.300 0.499 0.000 1.069 127 V CB -0.810 31.292 31.823 0.466 0.000 1.177 127 V HN 0.962 nan 8.190 nan 0.000 0.492 128 N N 5.069 124.025 118.700 0.425 0.000 2.425 128 N HA 0.557 5.298 4.740 0.000 0.000 0.289 128 N C -2.484 173.033 175.510 0.011 0.000 1.074 128 N CA -1.332 51.748 53.050 0.050 0.000 0.905 128 N CB 2.592 41.168 38.487 0.149 0.000 1.586 128 N HN 0.172 nan 8.380 nan 0.000 0.490 129 P HA -0.075 nan 4.420 nan 0.000 0.223 129 P C 0.534 177.793 177.300 -0.069 0.000 1.144 129 P CA 0.959 63.828 63.100 -0.385 0.000 0.783 129 P CB 0.300 31.718 31.700 -0.470 0.000 0.771 130 S N -1.322 114.351 115.700 -0.044 0.000 2.453 130 S HA -0.106 4.364 4.470 0.000 0.000 0.231 130 S C 1.040 175.698 174.600 0.096 0.000 1.005 130 S CA 0.222 58.433 58.200 0.019 0.000 0.949 130 S CB -1.090 62.117 63.200 0.012 0.000 0.774 130 S HN 0.339 nan 8.310 nan 0.000 0.510 131 N N 2.212 121.023 118.700 0.184 0.000 2.421 131 N HA 0.056 4.796 4.740 0.000 0.000 0.260 131 N C 0.785 176.451 175.510 0.260 0.000 1.173 131 N CA -0.102 53.069 53.050 0.202 0.000 0.960 131 N CB 0.039 38.666 38.487 0.232 0.000 1.273 131 N HN 0.290 nan 8.380 nan 0.000 0.497 132 N N 3.059 121.871 118.700 0.185 0.000 2.453 132 N HA -0.118 4.622 4.740 0.000 0.000 0.183 132 N C 1.374 177.044 175.510 0.267 0.000 1.041 132 N CA 0.415 53.609 53.050 0.241 0.000 0.900 132 N CB 0.165 38.768 38.487 0.193 0.000 0.961 132 N HN 0.633 nan 8.380 nan 0.000 0.443 133 A N 0.593 123.545 122.820 0.220 0.000 1.968 133 A HA -0.071 4.249 4.320 0.000 0.000 0.217 133 A C 1.962 179.761 177.584 0.357 0.000 1.169 133 A CA 0.685 52.871 52.037 0.250 0.000 0.638 133 A CB -0.227 18.829 19.000 0.094 0.000 0.812 133 A HN 0.333 nan 8.150 nan 0.000 0.446 134 L N -2.397 118.996 121.223 0.282 0.000 2.200 134 L HA 0.384 4.724 4.340 0.000 0.000 0.200 134 L C -0.135 176.609 176.870 -0.210 0.000 1.072 134 L CA 1.118 55.984 54.840 0.044 0.000 0.787 134 L CB -0.149 41.867 42.059 -0.071 0.000 0.957 134 L HN 0.205 nan 8.230 nan 0.000 0.459 135 F N 0.669 120.755 119.950 0.228 0.000 2.359 135 F HA 0.238 4.765 4.527 0.000 0.000 0.355 135 F C 1.709 177.681 175.800 0.286 0.000 1.132 135 F CA 0.078 58.225 58.000 0.245 0.000 1.246 135 F CB -0.072 39.041 39.000 0.189 0.000 1.569 135 F HN 0.029 nan 8.300 nan 0.000 0.561 136 T N -2.238 112.562 114.554 0.410 0.000 2.881 136 T HA -0.259 4.091 4.350 0.000 0.000 0.270 136 T C 1.607 176.580 174.700 0.456 0.000 1.068 136 T CA 1.198 63.534 62.100 0.394 0.000 1.131 136 T CB -0.261 68.812 68.868 0.341 0.000 0.871 136 T HN 0.705 nan 8.240 nan 0.000 0.479 137 W N 0.047 121.547 121.300 0.334 0.000 2.777 137 W HA 0.459 5.119 4.660 0.000 0.000 0.260 137 W C 1.645 178.300 176.519 0.226 0.000 1.194 137 W CA -0.489 57.013 57.345 0.261 0.000 1.447 137 W CB -0.018 29.616 29.460 0.291 0.000 1.009 137 W HN 0.127 nan 8.180 nan 0.000 0.613 138 L N 1.514 123.053 121.223 0.527 0.000 2.201 138 L HA -0.141 4.199 4.340 0.000 0.000 0.212 138 L C 2.554 179.465 176.870 0.068 0.000 1.105 138 L CA 1.966 56.965 54.840 0.264 0.000 0.775 138 L CB -1.072 41.180 42.059 0.321 0.000 0.913 138 L HN 0.119 nan 8.230 nan 0.000 0.440 139 Q N 0.040 119.920 119.800 0.134 0.000 2.152 139 Q HA -0.199 4.141 4.340 0.000 0.000 0.206 139 Q C 1.994 177.997 176.000 0.004 0.000 0.985 139 Q CA 1.866 57.716 55.803 0.079 0.000 0.863 139 Q CB -0.603 28.211 28.738 0.127 0.000 0.904 139 Q HN 0.601 nan 8.270 nan 0.000 0.422 140 G N 0.269 109.028 108.800 -0.069 0.000 2.479 140 G HA2 -0.276 3.685 3.960 0.000 0.000 0.220 140 G HA3 -0.276 3.685 3.960 0.000 0.000 0.220 140 G C 1.320 176.156 174.900 -0.106 0.000 1.115 140 G CA 0.807 45.836 45.100 -0.118 0.000 0.757 140 G HN 0.439 nan 8.290 nan 0.000 0.560 141 Q N -0.865 118.882 119.800 -0.089 0.000 2.324 141 Q HA 0.305 4.645 4.340 0.000 0.000 0.207 141 Q C 2.959 179.108 176.000 0.250 0.000 0.928 141 Q CA 0.481 56.341 55.803 0.095 0.000 0.890 141 Q CB 0.056 28.849 28.738 0.091 0.000 1.001 141 Q HN 0.402 nan 8.270 nan 0.000 0.517 142 A N 1.604 124.505 122.820 0.135 0.000 1.948 142 A HA -0.307 4.013 4.320 0.000 0.000 0.220 142 A C 1.955 179.483 177.584 -0.094 0.000 1.177 142 A CA 1.946 53.891 52.037 -0.153 0.000 0.636 142 A CB -0.719 18.183 19.000 -0.163 0.000 0.815 142 A HN 0.562 nan 8.150 nan 0.000 0.449 143 Q N -0.159 119.628 119.800 -0.022 0.000 2.368 143 Q HA -0.048 4.292 4.340 0.000 0.000 0.210 143 Q C 1.330 177.308 176.000 -0.036 0.000 0.982 143 Q CA 1.567 57.354 55.803 -0.026 0.000 0.884 143 Q CB -0.516 28.213 28.738 -0.015 0.000 0.933 143 Q HN 0.637 nan 8.270 nan 0.000 0.460 144 L N -1.126 120.092 121.223 -0.008 0.000 2.607 144 L HA 0.319 4.659 4.340 0.000 0.000 0.228 144 L C -0.272 176.360 176.870 -0.395 0.000 1.123 144 L CA -0.154 54.590 54.840 -0.160 0.000 0.890 144 L CB 0.061 42.017 42.059 -0.171 0.000 1.103 144 L HN 0.145 nan 8.230 nan 0.000 0.468 145 Y N -1.415 118.815 120.300 -0.116 0.000 2.576 145 Y HA 0.258 4.808 4.550 0.000 0.000 0.346 145 Y C 0.827 176.645 175.900 -0.136 0.000 1.018 145 Y CA -0.834 57.188 58.100 -0.129 0.000 1.050 145 Y CB 1.494 39.846 38.460 -0.180 0.000 1.280 145 Y HN -0.227 nan 8.280 nan 0.000 0.474 146 D N 0.523 120.977 120.400 0.090 0.000 2.277 146 D HA 0.159 4.799 4.640 0.000 0.000 0.209 146 D C -0.094 176.267 176.300 0.100 0.000 0.970 146 D CA 1.399 55.449 54.000 0.083 0.000 0.874 146 D CB 0.496 41.343 40.800 0.079 0.000 0.982 146 D HN 0.444 nan 8.370 nan 0.000 0.504 147 M N -0.556 119.087 119.600 0.072 0.000 2.569 147 M HA 0.310 4.790 4.480 0.000 0.000 0.279 147 M C -1.463 175.026 176.300 0.315 0.000 1.253 147 M CA -1.020 54.345 55.300 0.107 0.000 0.867 147 M CB 2.994 35.545 32.600 -0.082 0.000 1.727 147 M HN -0.154 nan 8.290 nan 0.000 0.467 148 Y N -1.020 119.416 120.300 0.227 0.000 2.581 148 Y HA 0.884 5.434 4.550 0.000 0.000 0.345 148 Y C -1.406 174.422 175.900 -0.119 0.000 1.036 148 Y CA -1.135 57.051 58.100 0.143 0.000 1.042 148 Y CB 1.788 40.212 38.460 -0.060 0.000 1.289 148 Y HN 0.762 nan 8.280 nan 0.000 0.471 149 R N 2.730 122.951 120.500 -0.465 0.000 2.510 149 R HA 0.461 4.801 4.340 0.000 0.000 0.287 149 R C -2.297 173.693 176.300 -0.518 0.000 1.084 149 R CA -0.599 55.056 56.100 -0.741 0.000 0.934 149 R CB 1.169 30.588 30.300 -1.468 0.000 1.201 149 R HN 0.733 nan 8.270 nan 0.000 0.431 150 F N 1.928 121.720 119.950 -0.264 0.000 2.412 150 F HA 0.261 4.788 4.527 0.000 0.000 0.348 150 F C 1.406 177.041 175.800 -0.276 0.000 1.102 150 F CA 0.246 58.134 58.000 -0.187 0.000 1.196 150 F CB 2.038 40.981 39.000 -0.095 0.000 1.144 150 F HN 0.536 nan 8.300 nan 0.000 0.541 151 T N 1.730 116.280 114.554 -0.006 0.000 3.056 151 T HA 0.228 4.578 4.350 0.000 0.000 0.241 151 T C 0.571 175.260 174.700 -0.019 0.000 1.006 151 T CA 0.284 62.341 62.100 -0.071 0.000 1.115 151 T CB 0.219 69.032 68.868 -0.092 0.000 0.939 151 T HN 0.343 nan 8.240 nan 0.000 0.462 152 R N 0.394 120.921 120.500 0.045 0.000 2.744 152 R HA 0.716 5.056 4.340 0.000 0.000 0.279 152 R C -1.963 174.380 176.300 0.072 0.000 0.977 152 R CA -0.798 55.314 56.100 0.020 0.000 0.906 152 R CB 2.384 32.678 30.300 -0.010 0.000 1.197 152 R HN 0.064 nan 8.270 nan 0.000 0.463 153 L N 2.431 123.625 121.223 -0.047 0.000 2.614 153 L HA 0.460 4.800 4.340 0.000 0.000 0.264 153 L C -1.754 174.912 176.870 -0.339 0.000 0.940 153 L CA -0.326 54.410 54.840 -0.175 0.000 0.903 153 L CB 1.618 43.528 42.059 -0.249 0.000 1.306 153 L HN 0.727 nan 8.230 nan 0.000 0.410 154 R N 3.190 123.423 120.500 -0.445 0.000 2.698 154 R HA 0.793 5.133 4.340 0.000 0.000 0.275 154 R C -1.732 174.189 176.300 -0.631 0.000 1.001 154 R CA -0.656 55.190 56.100 -0.423 0.000 0.896 154 R CB 1.320 31.513 30.300 -0.178 0.000 1.218 154 R HN 0.284 nan 8.270 nan 0.000 0.462 155 F N 0.488 120.370 119.950 -0.113 0.000 2.443 155 F HA 0.564 5.092 4.527 0.000 0.000 0.335 155 F C 0.043 175.830 175.800 -0.021 0.000 1.104 155 F CA -0.510 57.389 58.000 -0.170 0.000 1.013 155 F CB 2.632 41.421 39.000 -0.352 0.000 1.136 155 F HN 0.457 nan 8.300 nan 0.000 0.470 156 T N 1.894 116.558 114.554 0.183 0.000 2.887 156 T HA 0.379 4.729 4.350 0.000 0.000 0.288 156 T C -1.828 173.066 174.700 0.323 0.000 1.021 156 T CA -0.680 61.539 62.100 0.199 0.000 1.000 156 T CB 1.545 70.475 68.868 0.102 0.000 1.034 156 T HN 0.456 nan 8.240 nan 0.000 0.467 157 Y N 2.355 122.749 120.300 0.156 0.000 2.338 157 Y HA 0.690 5.240 4.550 0.000 0.000 0.333 157 Y C -1.541 174.445 175.900 0.143 0.000 0.968 157 Y CA -1.297 56.893 58.100 0.151 0.000 1.123 157 Y CB 0.730 39.240 38.460 0.084 0.000 1.165 157 Y HN 0.586 nan 8.280 nan 0.000 0.452 158 I N 9.201 129.548 120.570 -0.372 0.000 2.418 158 I HA 0.404 4.575 4.170 0.000 0.000 0.287 158 I C -2.416 173.349 176.117 -0.587 0.000 1.008 158 I CA -2.409 58.688 61.300 -0.339 0.000 1.104 158 I CB 1.858 39.806 38.000 -0.085 0.000 1.264 158 I HN 0.505 nan 8.210 nan 0.000 0.438 159 P HA 0.042 nan 4.420 nan 0.000 0.267 159 P C 0.435 177.678 177.300 -0.096 0.000 1.200 159 P CA 0.061 63.011 63.100 -0.249 0.000 0.772 159 P CB 0.519 32.231 31.700 0.020 0.000 0.855 160 T N -2.844 111.705 114.554 -0.008 0.000 3.170 160 T HA 0.188 4.538 4.350 0.000 0.000 0.288 160 T C 0.469 175.216 174.700 0.078 0.000 0.992 160 T CA -0.135 61.981 62.100 0.026 0.000 0.909 160 T CB -0.304 68.574 68.868 0.017 0.000 1.133 160 T HN 0.369 nan 8.240 nan 0.000 0.530 161 T N 0.472 115.103 114.554 0.129 0.000 2.919 161 T HA 0.699 5.049 4.350 0.000 0.000 0.282 161 T C 0.522 175.310 174.700 0.147 0.000 1.020 161 T CA -0.082 62.116 62.100 0.164 0.000 0.994 161 T CB 1.113 70.143 68.868 0.270 0.000 1.180 161 T HN 0.404 nan 8.240 nan 0.000 0.566 162 G N 0.390 109.269 108.800 0.132 0.000 2.504 162 G HA2 0.382 4.343 3.960 0.000 0.000 0.288 162 G HA3 0.382 4.343 3.960 0.000 0.000 0.288 162 G C 1.192 176.145 174.900 0.087 0.000 1.182 162 G CA 0.096 45.245 45.100 0.083 0.000 0.894 162 G HN 0.844 nan 8.290 nan 0.000 0.521 163 S N -1.204 114.464 115.700 -0.053 0.000 2.474 163 S HA -0.150 4.320 4.470 0.000 0.000 0.235 163 S C 1.892 176.325 174.600 -0.279 0.000 0.997 163 S CA 1.571 59.568 58.200 -0.338 0.000 0.949 163 S CB -0.429 62.486 63.200 -0.474 0.000 0.766 163 S HN 0.831 nan 8.310 nan 0.000 0.517 164 T N -0.819 113.683 114.554 -0.087 0.000 3.144 164 T HA 0.265 4.615 4.350 0.000 0.000 0.249 164 T C 0.416 175.150 174.700 0.057 0.000 1.089 164 T CA -0.332 61.749 62.100 -0.032 0.000 0.989 164 T CB -0.301 68.554 68.868 -0.022 0.000 0.992 164 T HN 0.213 nan 8.240 nan 0.000 0.540 165 S N 3.212 118.987 115.700 0.124 0.000 2.528 165 S HA 0.436 4.907 4.470 0.000 0.000 0.277 165 S C 0.746 175.435 174.600 0.149 0.000 1.297 165 S CA -0.756 57.539 58.200 0.158 0.000 1.052 165 S CB 0.976 64.288 63.200 0.187 0.000 0.917 165 S HN 0.732 nan 8.310 nan 0.000 0.492 166 T N 0.542 115.160 114.554 0.106 0.000 2.881 166 T HA 0.809 5.159 4.350 0.000 0.000 0.278 166 T C 0.678 175.361 174.700 -0.029 0.000 0.982 166 T CA 0.075 62.213 62.100 0.065 0.000 0.989 166 T CB 0.981 69.886 68.868 0.063 0.000 1.058 166 T HN 1.220 nan 8.240 nan 0.000 0.529 167 G N 0.795 109.541 108.800 -0.090 0.000 2.500 167 G HA2 0.170 4.130 3.960 0.000 0.000 0.209 167 G HA3 0.170 4.130 3.960 0.000 0.000 0.209 167 G C -1.231 173.435 174.900 -0.389 0.000 1.283 167 G CA -0.812 44.141 45.100 -0.244 0.000 0.960 167 G HN 0.873 nan 8.290 nan 0.000 0.528 168 R N -1.452 118.682 120.500 -0.611 0.000 2.740 168 R HA 0.686 5.026 4.340 0.000 0.000 0.273 168 R C -1.130 174.917 176.300 -0.422 0.000 0.998 168 R CA -0.693 55.081 56.100 -0.544 0.000 0.900 168 R CB 1.876 31.841 30.300 -0.557 0.000 1.223 168 R HN 0.837 nan 8.270 nan 0.000 0.466 169 V N 1.405 121.114 119.914 -0.341 0.000 2.409 169 V HA 0.359 4.479 4.120 0.000 0.000 0.291 169 V C -0.121 175.873 176.094 -0.166 0.000 1.020 169 V CA -0.625 61.507 62.300 -0.280 0.000 0.848 169 V CB 1.892 33.340 31.823 -0.626 0.000 0.990 169 V HN 0.689 nan 8.190 nan 0.000 0.430 170 S N 6.113 121.815 115.700 0.003 0.000 2.508 170 S HA 0.733 5.203 4.470 0.000 0.000 0.284 170 S C -0.212 174.416 174.600 0.047 0.000 1.192 170 S CA -0.465 57.780 58.200 0.075 0.000 1.070 170 S CB 1.012 64.283 63.200 0.119 0.000 1.004 170 S HN 0.670 nan 8.310 nan 0.000 0.493 171 I N 1.085 121.709 120.570 0.090 0.000 2.603 171 I HA 0.780 4.950 4.170 0.000 0.000 0.300 171 I C -1.085 175.093 176.117 0.101 0.000 1.017 171 I CA -1.013 60.346 61.300 0.100 0.000 1.098 171 I CB 1.571 39.739 38.000 0.279 0.000 1.279 171 I HN 0.484 nan 8.210 nan 0.000 0.437 172 L N 4.638 125.821 121.223 -0.066 0.000 2.549 172 L HA 0.496 4.836 4.340 0.000 0.000 0.259 172 L C -2.283 174.541 176.870 -0.077 0.000 0.934 172 L CA -0.277 54.497 54.840 -0.110 0.000 0.865 172 L CB 2.692 44.521 42.059 -0.383 0.000 1.352 172 L HN 0.874 nan 8.230 nan 0.000 0.410 173 W N 5.234 126.470 121.300 -0.108 0.000 2.781 173 W HA 0.449 5.109 4.660 0.000 0.000 0.333 173 W C -1.360 175.158 176.519 -0.002 0.000 1.047 173 W CA -0.354 56.957 57.345 -0.057 0.000 1.236 173 W CB 1.512 31.013 29.460 0.069 0.000 1.394 173 W HN 0.343 nan 8.180 nan 0.000 0.466 174 D N 4.531 124.508 120.400 -0.704 0.000 2.308 174 D HA 0.219 4.859 4.640 0.000 0.000 0.242 174 D C 1.116 176.688 176.300 -1.213 0.000 1.059 174 D CA -0.456 53.200 54.000 -0.572 0.000 0.830 174 D CB 1.622 42.281 40.800 -0.234 0.000 1.161 174 D HN 0.712 nan 8.370 nan 0.000 0.494 175 R N 1.819 121.660 120.500 -1.099 0.000 2.323 175 R HA 0.072 4.412 4.340 0.000 0.000 0.198 175 R C 0.089 176.138 176.300 -0.419 0.000 0.988 175 R CA 0.043 55.522 56.100 -1.035 0.000 1.041 175 R CB 0.194 30.159 30.300 -0.558 0.000 0.926 175 R HN 0.078 nan 8.270 nan 0.000 0.476 176 D N 1.456 121.672 120.400 -0.306 0.000 2.427 176 D HA 0.034 4.674 4.640 0.000 0.000 0.226 176 D C 0.488 176.710 176.300 -0.130 0.000 1.076 176 D CA -0.436 53.480 54.000 -0.141 0.000 0.849 176 D CB 1.613 42.360 40.800 -0.089 0.000 1.052 176 D HN 0.164 nan 8.370 nan 0.000 0.515 177 S N 2.610 118.266 115.700 -0.072 0.000 2.607 177 S HA -0.065 4.405 4.470 0.000 0.000 0.224 177 S C 1.119 175.706 174.600 -0.022 0.000 0.969 177 S CA 0.491 58.667 58.200 -0.039 0.000 0.927 177 S CB 0.058 63.282 63.200 0.040 0.000 0.772 177 S HN 0.543 nan 8.310 nan 0.000 0.533 178 Q N 0.383 120.170 119.800 -0.022 0.000 2.281 178 Q HA 0.212 4.552 4.340 0.000 0.000 0.215 178 Q C -0.622 175.361 176.000 -0.028 0.000 0.867 178 Q CA -0.260 55.533 55.803 -0.017 0.000 0.940 178 Q CB 0.311 29.047 28.738 -0.003 0.000 1.111 178 Q HN 0.469 nan 8.270 nan 0.000 0.513 179 D N 2.812 123.189 120.400 -0.038 0.000 2.443 179 D HA 0.047 4.687 4.640 0.000 0.000 0.239 179 D C -2.124 174.157 176.300 -0.032 0.000 1.136 179 D CA -1.218 52.761 54.000 -0.034 0.000 0.879 179 D CB 0.650 41.433 40.800 -0.028 0.000 1.195 179 D HN 0.046 nan 8.370 nan 0.000 0.443 180 P HA 0.056 nan 4.420 nan 0.000 0.272 180 P C -0.066 177.216 177.300 -0.031 0.000 1.230 180 P CA -0.288 62.789 63.100 -0.037 0.000 0.788 180 P CB 0.702 32.379 31.700 -0.038 0.000 0.949 181 L N 2.626 123.816 121.223 -0.055 0.000 2.456 181 L HA 0.226 4.566 4.340 0.000 0.000 0.272 181 L C -1.416 175.426 176.870 -0.047 0.000 1.189 181 L CA -1.776 53.021 54.840 -0.072 0.000 0.846 181 L CB -0.494 41.499 42.059 -0.110 0.000 1.111 181 L HN 0.305 nan 8.230 nan 0.000 0.475 182 P HA 0.107 nan 4.420 nan 0.000 0.274 182 P C 0.131 177.391 177.300 -0.066 0.000 1.231 182 P CA -0.343 62.745 63.100 -0.019 0.000 0.790 182 P CB 1.756 33.480 31.700 0.040 0.000 0.951 183 I N 0.215 120.745 120.570 -0.067 0.000 4.139 183 I HA 0.103 4.273 4.170 0.000 0.000 0.320 183 I C 0.735 176.802 176.117 -0.083 0.000 1.290 183 I CA 0.719 61.975 61.300 -0.072 0.000 1.253 183 I CB -0.323 37.640 38.000 -0.061 0.000 1.122 183 I HN 0.461 nan 8.210 nan 0.000 0.421 184 D N -0.800 119.542 120.400 -0.097 0.000 2.601 184 D HA 0.169 4.809 4.640 0.000 0.000 0.230 184 D C 0.772 176.972 176.300 -0.167 0.000 1.106 184 D CA -0.510 53.417 54.000 -0.122 0.000 0.873 184 D CB 2.167 42.904 40.800 -0.103 0.000 1.515 184 D HN -0.291 nan 8.370 nan 0.000 0.468 185 R N 1.604 121.959 120.500 -0.242 0.000 2.096 185 R HA -0.073 4.267 4.340 0.000 0.000 0.235 185 R C 1.952 178.102 176.300 -0.250 0.000 1.127 185 R CA 2.222 58.115 56.100 -0.345 0.000 0.968 185 R CB -1.173 28.762 30.300 -0.609 0.000 0.861 185 R HN 0.593 nan 8.270 nan 0.000 0.440 186 A N 0.180 122.889 122.820 -0.185 0.000 1.933 186 A HA -0.040 4.280 4.320 0.000 0.000 0.218 186 A C 2.364 179.863 177.584 -0.142 0.000 1.175 186 A CA 1.739 53.690 52.037 -0.143 0.000 0.628 186 A CB -0.990 17.947 19.000 -0.105 0.000 0.814 186 A HN 0.473 nan 8.150 nan 0.000 0.444 187 A N -0.015 122.727 122.820 -0.130 0.000 1.933 187 A HA -0.108 4.212 4.320 0.000 0.000 0.218 187 A C 2.075 179.616 177.584 -0.070 0.000 1.175 187 A CA 1.500 53.469 52.037 -0.114 0.000 0.628 187 A CB -0.622 18.326 19.000 -0.086 0.000 0.814 187 A HN 0.502 nan 8.150 nan 0.000 0.444 188 I N -0.194 120.319 120.570 -0.095 0.000 2.194 188 I HA -0.253 3.917 4.170 0.000 0.000 0.246 188 I C 2.375 178.231 176.117 -0.435 0.000 1.093 188 I CA 1.572 62.782 61.300 -0.149 0.000 1.355 188 I CB -0.145 37.684 38.000 -0.284 0.000 1.046 188 I HN 0.201 nan 8.210 nan 0.000 0.413 189 S N -0.266 115.143 115.700 -0.485 0.000 2.555 189 S HA -0.070 4.400 4.470 0.000 0.000 0.230 189 S C 2.027 176.533 174.600 -0.157 0.000 0.978 189 S CA 0.769 58.661 58.200 -0.513 0.000 0.934 189 S CB -0.062 63.042 63.200 -0.160 0.000 0.766 189 S HN 0.371 nan 8.310 nan 0.000 0.533 190 S N 0.228 115.841 115.700 -0.146 0.000 2.461 190 S HA 0.117 4.587 4.470 0.000 0.000 0.228 190 S C 0.206 174.733 174.600 -0.121 0.000 1.005 190 S CA 0.244 58.360 58.200 -0.139 0.000 0.942 190 S CB -0.103 62.960 63.200 -0.229 0.000 0.776 190 S HN 0.498 nan 8.310 nan 0.000 0.514 191 Y N 0.879 121.126 120.300 -0.089 0.000 2.497 191 Y HA 0.257 4.807 4.550 0.000 0.000 0.334 191 Y C 1.469 177.433 175.900 0.107 0.000 1.199 191 Y CA -0.124 57.975 58.100 -0.001 0.000 1.425 191 Y CB 0.391 38.852 38.460 0.001 0.000 1.291 191 Y HN 0.069 nan 8.280 nan 0.000 0.562 192 A N 2.163 125.091 122.820 0.180 0.000 1.929 192 A HA -0.111 4.209 4.320 0.000 0.000 0.216 192 A C 0.235 177.745 177.584 -0.124 0.000 1.176 192 A CA 1.015 53.025 52.037 -0.045 0.000 0.628 192 A CB -0.601 18.259 19.000 -0.234 0.000 0.816 192 A HN 0.877 nan 8.150 nan 0.000 0.444 193 H N -1.248 118.042 119.070 0.366 0.000 2.643 193 H HA 0.510 5.066 4.556 0.000 0.000 0.259 193 H C -0.899 174.647 175.328 0.364 0.000 1.298 193 H CA -0.323 55.930 56.048 0.341 0.000 1.301 193 H CB -0.006 30.023 29.762 0.445 0.000 1.422 193 H HN 0.596 nan 8.280 nan 0.000 0.521 194 Y N 0.459 120.879 120.300 0.201 0.000 2.625 194 Y HA 0.853 5.403 4.550 0.000 0.000 0.338 194 Y C -1.636 174.329 175.900 0.108 0.000 1.123 194 Y CA -1.517 56.660 58.100 0.127 0.000 1.046 194 Y CB 1.238 39.732 38.460 0.057 0.000 1.299 194 Y HN 0.447 nan 8.280 nan 0.000 0.464 195 A N 1.800 124.617 122.820 -0.006 0.000 2.539 195 A HA 0.673 4.993 4.320 0.000 0.000 0.296 195 A C -2.182 175.438 177.584 0.061 0.000 1.073 195 A CA -0.446 51.521 52.037 -0.117 0.000 0.700 195 A CB 1.934 20.921 19.000 -0.022 0.000 1.296 195 A HN 0.899 nan 8.150 nan 0.000 0.405 196 D N -0.539 119.867 120.400 0.010 0.000 2.927 196 D HA 0.637 5.277 4.640 0.000 0.000 0.219 196 D C -0.589 175.681 176.300 -0.050 0.000 1.248 196 D CA 0.569 54.601 54.000 0.054 0.000 0.861 196 D CB 1.818 42.746 40.800 0.214 0.000 1.677 196 D HN 1.009 nan 8.370 nan 0.000 0.511 197 S N 1.534 117.151 115.700 -0.139 0.000 2.643 197 S HA 0.816 5.286 4.470 0.000 0.000 0.270 197 S C -0.691 173.695 174.600 -0.357 0.000 1.166 197 S CA -0.693 57.370 58.200 -0.229 0.000 0.815 197 S CB 0.639 63.712 63.200 -0.213 0.000 1.139 197 S HN 0.778 nan 8.310 nan 0.000 0.472 198 A N 1.057 123.566 122.820 -0.518 0.000 2.507 198 A HA 0.550 4.870 4.320 0.000 0.000 0.235 198 A C -1.678 175.535 177.584 -0.619 0.000 1.070 198 A CA -1.002 50.593 52.037 -0.736 0.000 0.768 198 A CB -0.814 17.269 19.000 -1.529 0.000 1.011 198 A HN 0.693 nan 8.150 nan 0.000 0.502 199 P HA -0.086 nan 4.420 nan 0.000 0.223 199 P C 1.029 178.353 177.300 0.041 0.000 1.151 199 P CA 1.194 64.129 63.100 -0.274 0.000 0.787 199 P CB 0.000 31.293 31.700 -0.679 0.000 0.788 200 W N -1.250 120.067 121.300 0.028 0.000 3.256 200 W HA 0.616 5.276 4.660 0.000 0.000 0.269 200 W C -0.383 176.180 176.519 0.075 0.000 1.310 200 W CA -0.439 56.936 57.345 0.049 0.000 1.673 200 W CB -0.536 28.929 29.460 0.009 0.000 1.115 200 W HN -0.141 nan 8.180 nan 0.000 0.686 201 A N 1.622 124.361 122.820 -0.135 0.000 2.342 201 A HA 0.413 4.733 4.320 0.000 0.000 0.323 201 A C -0.186 177.458 177.584 0.100 0.000 1.125 201 A CA -0.707 51.284 52.037 -0.076 0.000 0.785 201 A CB 1.083 19.843 19.000 -0.401 0.000 1.221 201 A HN 0.209 nan 8.150 nan 0.000 0.463 202 E N 1.056 121.310 120.200 0.090 0.000 2.437 202 E HA 0.102 4.453 4.350 0.000 0.000 0.263 202 E C -0.457 176.218 176.600 0.126 0.000 1.030 202 E CA 0.356 56.820 56.400 0.106 0.000 0.934 202 E CB 0.453 30.176 29.700 0.039 0.000 0.943 202 E HN 0.556 nan 8.360 nan 0.000 0.444 203 N N 0.898 119.712 118.700 0.190 0.000 2.494 203 N HA 0.487 5.227 4.740 0.000 0.000 0.270 203 N C -2.102 173.493 175.510 0.142 0.000 1.285 203 N CA -0.623 52.508 53.050 0.134 0.000 0.812 203 N CB 2.112 40.667 38.487 0.114 0.000 1.557 203 N HN 0.224 nan 8.380 nan 0.000 0.487 204 V N 1.646 121.620 119.914 0.100 0.000 2.971 204 V HA 0.775 4.895 4.120 0.000 0.000 0.309 204 V C -1.842 174.318 176.094 0.111 0.000 1.130 204 V CA -0.710 61.651 62.300 0.101 0.000 0.964 204 V CB 1.924 33.776 31.823 0.048 0.000 1.029 204 V HN 0.637 nan 8.190 nan 0.000 0.427 205 L N 6.254 127.571 121.223 0.157 0.000 2.441 205 L HA 0.730 5.070 4.340 0.000 0.000 0.270 205 L C -1.124 175.830 176.870 0.140 0.000 0.973 205 L CA -0.099 54.852 54.840 0.185 0.000 0.842 205 L CB 1.898 44.143 42.059 0.310 0.000 1.239 205 L HN 0.509 nan 8.230 nan 0.000 0.406 206 V N 5.819 125.775 119.914 0.071 0.000 2.407 206 V HA 0.469 4.590 4.120 0.000 0.000 0.278 206 V C -0.125 175.938 176.094 -0.053 0.000 1.037 206 V CA -0.581 61.712 62.300 -0.012 0.000 0.900 206 V CB 1.605 33.422 31.823 -0.011 0.000 0.983 206 V HN 0.517 nan 8.190 nan 0.000 0.459 207 V N 8.014 127.811 119.914 -0.195 0.000 2.394 207 V HA 0.378 4.498 4.120 0.000 0.000 0.282 207 V C -2.017 173.890 176.094 -0.312 0.000 1.031 207 V CA -1.699 60.337 62.300 -0.441 0.000 0.881 207 V CB 1.885 33.205 31.823 -0.838 0.000 0.982 207 V HN 0.776 nan 8.190 nan 0.000 0.451 208 P HA 0.254 nan 4.420 nan 0.000 0.282 208 P C -0.431 176.881 177.300 0.019 0.000 1.274 208 P CA -0.223 62.831 63.100 -0.077 0.000 0.770 208 P CB 0.728 32.432 31.700 0.006 0.000 0.867 209 C N 3.834 123.141 119.300 0.012 0.000 2.443 209 C HA 0.391 4.851 4.460 0.000 0.000 0.369 209 C C 1.036 175.983 174.990 -0.070 0.000 1.241 209 C CA 0.105 59.096 59.018 -0.045 0.000 2.413 209 C CB 0.516 28.166 27.740 -0.151 0.000 2.451 209 C HN 0.672 nan 8.230 nan 0.000 0.595 210 D N 0.559 120.830 120.400 -0.215 0.000 2.588 210 D HA 0.216 4.856 4.640 0.000 0.000 0.268 210 D C 0.040 176.219 176.300 -0.200 0.000 1.176 210 D CA -0.555 53.381 54.000 -0.107 0.000 1.080 210 D CB 0.260 41.078 40.800 0.031 0.000 1.186 210 D HN 0.411 nan 8.370 nan 0.000 0.619 211 N N -1.458 117.159 118.700 -0.139 0.000 2.230 211 N HA 0.049 4.789 4.740 0.000 0.000 0.202 211 N C -0.024 175.352 175.510 -0.224 0.000 1.119 211 N CA 0.077 53.019 53.050 -0.179 0.000 0.851 211 N CB 0.437 38.875 38.487 -0.082 0.000 0.990 211 N HN 0.632 nan 8.380 nan 0.000 0.497 212 T N -1.225 113.208 114.554 -0.203 0.000 2.845 212 T HA 0.322 4.672 4.350 0.000 0.000 0.288 212 T C -0.335 174.202 174.700 -0.273 0.000 0.980 212 T CA -0.597 61.420 62.100 -0.137 0.000 1.071 212 T CB 0.862 69.723 68.868 -0.011 0.000 0.941 212 T HN 0.029 nan 8.240 nan 0.000 0.487 213 W N 4.608 125.789 121.300 -0.199 0.000 2.272 213 W HA 0.494 5.154 4.660 0.000 0.000 0.318 213 W C 1.065 177.354 176.519 -0.384 0.000 1.255 213 W CA -0.729 56.431 57.345 -0.309 0.000 1.200 213 W CB 0.799 30.098 29.460 -0.269 0.000 1.170 213 W HN 0.699 nan 8.180 nan 0.000 0.549 214 R N 2.097 122.389 120.500 -0.346 0.000 2.867 214 R HA 0.463 4.803 4.340 0.000 0.000 0.268 214 R C -1.475 174.644 176.300 -0.302 0.000 1.014 214 R CA -1.273 54.628 56.100 -0.333 0.000 0.946 214 R CB 0.620 30.820 30.300 -0.168 0.000 1.208 214 R HN 0.407 nan 8.270 nan 0.000 0.477 215 Y N 0.819 121.177 120.300 0.096 0.000 2.425 215 Y HA 0.055 4.605 4.550 0.000 0.000 0.331 215 Y C 1.952 178.034 175.900 0.303 0.000 1.157 215 Y CA -0.112 58.086 58.100 0.162 0.000 1.372 215 Y CB 0.922 39.446 38.460 0.108 0.000 1.253 215 Y HN 0.659 nan 8.280 nan 0.000 0.536 216 M N 1.897 121.723 119.600 0.376 0.000 2.059 216 M HA -0.188 4.292 4.480 0.000 0.000 0.259 216 M C 0.736 177.133 176.300 0.163 0.000 1.072 216 M CA 1.429 56.864 55.300 0.225 0.000 1.117 216 M CB -0.180 32.447 32.600 0.045 0.000 1.320 216 M HN 0.658 nan 8.290 nan 0.000 0.408 217 N N 1.006 119.794 118.700 0.146 0.000 2.431 217 N HA -0.060 4.680 4.740 0.000 0.000 0.265 217 N C -0.679 174.908 175.510 0.128 0.000 1.184 217 N CA 0.304 53.414 53.050 0.099 0.000 0.943 217 N CB 0.431 38.950 38.487 0.052 0.000 1.080 217 N HN 0.383 nan 8.380 nan 0.000 0.477 218 D N 2.138 122.606 120.400 0.113 0.000 2.433 218 D HA -0.020 4.620 4.640 0.000 0.000 0.211 218 D C 1.003 177.342 176.300 0.066 0.000 1.114 218 D CA 0.145 54.213 54.000 0.113 0.000 0.837 218 D CB -0.080 40.810 40.800 0.149 0.000 0.984 218 D HN 0.393 nan 8.370 nan 0.000 0.505 219 T N 0.911 115.491 114.554 0.044 0.000 2.867 219 T HA -0.143 4.207 4.350 0.000 0.000 0.268 219 T C 1.520 176.227 174.700 0.012 0.000 1.057 219 T CA 1.590 63.704 62.100 0.023 0.000 1.136 219 T CB -0.303 68.571 68.868 0.010 0.000 0.874 219 T HN 0.316 nan 8.240 nan 0.000 0.466 220 N N 2.948 121.652 118.700 0.007 0.000 2.171 220 N HA 0.129 4.869 4.740 0.000 0.000 0.184 220 N C 0.912 176.423 175.510 0.002 0.000 1.021 220 N CA 0.611 53.658 53.050 -0.004 0.000 0.854 220 N CB -0.861 37.615 38.487 -0.018 0.000 0.994 220 N HN 0.475 nan 8.380 nan 0.000 0.426 221 A N 0.385 123.213 122.820 0.013 0.000 2.565 221 A HA 0.218 4.538 4.320 0.000 0.000 0.237 221 A C 1.199 178.798 177.584 0.025 0.000 1.053 221 A CA -0.234 51.816 52.037 0.021 0.000 0.755 221 A CB 0.236 19.266 19.000 0.049 0.000 0.980 221 A HN 0.107 nan 8.150 nan 0.000 0.506 222 V N 1.633 121.559 119.914 0.020 0.000 2.436 222 V HA 0.004 4.124 4.120 0.000 0.000 0.240 222 V C 0.504 176.613 176.094 0.026 0.000 1.040 222 V CA 1.192 63.503 62.300 0.018 0.000 1.052 222 V CB -0.447 31.381 31.823 0.009 0.000 0.707 222 V HN 0.789 nan 8.190 nan 0.000 0.469 223 D N 0.822 121.242 120.400 0.033 0.000 2.558 223 D HA 0.160 4.800 4.640 0.000 0.000 0.221 223 D C 1.188 177.526 176.300 0.064 0.000 1.143 223 D CA 0.049 54.075 54.000 0.042 0.000 1.010 223 D CB 0.444 41.269 40.800 0.042 0.000 1.068 223 D HN 0.200 nan 8.370 nan 0.000 0.511 224 R N 0.896 121.434 120.500 0.064 0.000 2.241 224 R HA -0.129 4.211 4.340 0.000 0.000 0.224 224 R C 2.168 178.537 176.300 0.115 0.000 1.101 224 R CA 0.839 56.993 56.100 0.091 0.000 0.995 224 R CB 0.151 30.497 30.300 0.077 0.000 0.870 224 R HN 0.354 nan 8.270 nan 0.000 0.463 225 K N 0.460 120.914 120.400 0.090 0.000 2.280 225 K HA -0.132 4.188 4.320 0.000 0.000 0.202 225 K C 1.385 178.070 176.600 0.140 0.000 1.047 225 K CA 1.256 57.602 56.287 0.099 0.000 0.942 225 K CB -0.109 32.425 32.500 0.057 0.000 0.739 225 K HN 0.219 nan 8.250 nan 0.000 0.457 226 L N 1.576 122.881 121.223 0.136 0.000 2.554 226 L HA 0.016 4.356 4.340 0.000 0.000 0.226 226 L C 1.632 178.622 176.870 0.200 0.000 1.137 226 L CA -0.048 54.884 54.840 0.154 0.000 0.863 226 L CB 0.362 42.497 42.059 0.126 0.000 0.985 226 L HN 0.168 nan 8.230 nan 0.000 0.451 227 V N -6.662 113.389 119.914 0.228 0.000 3.502 227 V HA 0.324 4.444 4.120 0.000 0.000 0.288 227 V C -0.060 176.271 176.094 0.394 0.000 1.461 227 V CA -0.371 62.107 62.300 0.297 0.000 1.029 227 V CB 0.280 32.270 31.823 0.279 0.000 0.843 227 V HN 0.015 nan 8.190 nan 0.000 0.438 228 D N 0.851 121.467 120.400 0.361 0.000 2.252 228 D HA 0.408 5.048 4.640 0.000 0.000 0.245 228 D C -0.996 175.618 176.300 0.522 0.000 1.009 228 D CA -0.489 53.783 54.000 0.454 0.000 0.870 228 D CB 2.324 43.310 40.800 0.309 0.000 1.251 228 D HN 0.138 nan 8.370 nan 0.000 0.460 229 F N 2.178 122.418 119.950 0.483 0.000 2.606 229 F HA 0.396 4.923 4.527 0.000 0.000 0.347 229 F C 0.946 177.096 175.800 0.583 0.000 1.207 229 F CA -0.183 58.112 58.000 0.492 0.000 1.306 229 F CB -0.767 38.551 39.000 0.529 0.000 1.657 229 F HN 0.579 nan 8.300 nan 0.000 0.606 230 G N 3.485 112.378 108.800 0.155 0.000 2.698 230 G HA2 -0.182 3.778 3.960 0.000 0.000 0.233 230 G HA3 -0.182 3.778 3.960 0.000 0.000 0.233 230 G C -0.989 173.895 174.900 -0.026 0.000 1.352 230 G CA -0.116 44.854 45.100 -0.217 0.000 0.879 230 G HN 0.927 nan 8.290 nan 0.000 0.567 231 Q N -1.664 117.994 119.800 -0.237 0.000 2.372 231 Q HA 0.726 5.066 4.340 0.000 0.000 0.273 231 Q C -0.929 175.085 176.000 0.023 0.000 1.078 231 Q CA -1.116 54.687 55.803 -0.001 0.000 0.806 231 Q CB 2.316 31.030 28.738 -0.041 0.000 1.332 231 Q HN 1.088 nan 8.270 nan 0.000 0.435 232 F N 2.649 122.606 119.950 0.011 0.000 2.379 232 F HA 0.659 5.186 4.527 0.000 0.000 0.332 232 F C -1.696 174.032 175.800 -0.120 0.000 1.096 232 F CA -0.589 57.291 58.000 -0.199 0.000 1.105 232 F CB 0.855 39.490 39.000 -0.610 0.000 1.189 232 F HN 0.578 nan 8.300 nan 0.000 0.515 233 L N 6.069 126.625 121.223 -1.113 0.000 2.424 233 L HA 0.548 4.888 4.340 0.000 0.000 0.258 233 L C -1.145 175.067 176.870 -1.096 0.000 0.995 233 L CA -0.667 53.644 54.840 -0.882 0.000 0.821 233 L CB 1.975 43.702 42.059 -0.553 0.000 1.383 233 L HN 0.618 nan 8.230 nan 0.000 0.410 234 F N -0.066 119.443 119.950 -0.735 0.000 2.603 234 F HA 1.043 5.570 4.527 0.000 0.000 0.317 234 F C -0.488 175.175 175.800 -0.229 0.000 1.066 234 F CA -1.073 56.650 58.000 -0.463 0.000 0.941 234 F CB 1.801 40.606 39.000 -0.325 0.000 1.291 234 F HN 0.605 nan 8.300 nan 0.000 0.472 235 A N 0.970 123.814 122.820 0.040 0.000 2.594 235 A HA 0.832 5.152 4.320 0.000 0.000 0.291 235 A C -1.168 176.517 177.584 0.168 0.000 1.105 235 A CA -0.632 51.422 52.037 0.028 0.000 0.694 235 A CB 1.731 20.711 19.000 -0.032 0.000 1.291 235 A HN 1.100 nan 8.150 nan 0.000 0.410 236 T N -0.255 114.413 114.554 0.190 0.000 2.894 236 T HA 0.741 5.091 4.350 0.000 0.000 0.309 236 T C -1.781 173.077 174.700 0.264 0.000 1.208 236 T CA -0.245 61.965 62.100 0.184 0.000 1.016 236 T CB 1.113 70.088 68.868 0.178 0.000 1.192 236 T HN 1.579 nan 8.240 nan 0.000 0.491 237 Y N -0.285 120.049 120.300 0.057 0.000 2.689 237 Y HA 0.659 5.210 4.550 0.000 0.000 0.333 237 Y C 0.482 176.419 175.900 0.061 0.000 1.208 237 Y CA -0.865 57.261 58.100 0.044 0.000 1.055 237 Y CB 0.681 39.149 38.460 0.012 0.000 1.304 237 Y HN 0.599 nan 8.280 nan 0.000 0.455 238 S N -0.913 114.868 115.700 0.136 0.000 3.561 238 S HA -0.078 4.392 4.470 0.000 0.000 0.318 238 S C 0.088 174.707 174.600 0.032 0.000 1.181 238 S CA 0.918 59.157 58.200 0.065 0.000 0.916 238 S CB -1.641 61.572 63.200 0.021 0.000 0.966 238 S HN 1.522 nan 8.310 nan 0.000 0.550 239 G N -0.519 108.329 108.800 0.080 0.000 2.788 239 G HA2 0.928 4.888 3.960 0.000 0.000 0.293 239 G HA3 0.928 4.888 3.960 0.000 0.000 0.293 239 G C -0.768 174.198 174.900 0.110 0.000 1.305 239 G CA 0.005 45.192 45.100 0.146 0.000 1.005 239 G HN 1.087 nan 8.290 nan 0.000 0.496 240 A N -1.902 120.989 122.820 0.117 0.000 2.609 240 A HA 1.055 5.375 4.320 0.000 0.000 0.291 240 A C -0.024 177.589 177.584 0.050 0.000 1.096 240 A CA 0.280 52.356 52.037 0.065 0.000 0.684 240 A CB 1.395 20.431 19.000 0.061 0.000 1.282 240 A HN 2.707 nan 8.150 nan 0.000 0.412 241 G N -1.686 107.127 108.800 0.022 0.000 2.515 241 G HA2 0.504 4.464 3.960 0.000 0.000 0.686 241 G HA3 0.504 4.464 3.960 0.000 0.000 0.686 241 G C 0.375 175.269 174.900 -0.010 0.000 1.274 241 G CA 0.318 45.427 45.100 0.016 0.000 0.874 241 G HN 2.154 nan 8.290 nan 0.000 0.631 242 A N -0.506 122.315 122.820 0.003 0.000 2.115 242 A HA 0.597 4.917 4.320 0.000 0.000 0.211 242 A C 1.632 179.217 177.584 0.001 0.000 1.169 242 A CA 2.052 54.090 52.037 0.001 0.000 0.787 242 A CB -0.114 18.894 19.000 0.013 0.000 0.858 242 A HN 2.201 nan 8.150 nan 0.000 0.474 243 T N 1.333 115.893 114.554 0.009 0.000 2.814 243 T HA 0.496 4.846 4.350 0.000 0.000 0.297 243 T C 0.343 175.049 174.700 0.009 0.000 0.956 243 T CA -0.011 62.103 62.100 0.023 0.000 1.123 243 T CB 0.176 69.070 68.868 0.043 0.000 0.902 243 T HN 0.632 nan 8.240 nan 0.000 0.528 244 A N 4.455 127.289 122.820 0.024 0.000 2.498 244 A HA 0.213 4.533 4.320 0.000 0.000 0.239 244 A C 1.054 178.703 177.584 0.108 0.000 1.068 244 A CA 0.123 52.176 52.037 0.026 0.000 0.766 244 A CB -0.162 18.876 19.000 0.064 0.000 1.003 244 A HN 1.139 nan 8.150 nan 0.000 0.497 245 H N 1.213 120.360 119.070 0.128 0.000 2.326 245 H HA 0.191 4.747 4.556 0.000 0.000 0.301 245 H C 1.287 176.730 175.328 0.193 0.000 1.081 245 H CA 0.797 56.951 56.048 0.177 0.000 1.334 245 H CB 0.346 30.231 29.762 0.205 0.000 1.385 245 H HN 0.892 nan 8.280 nan 0.000 0.504 246 G N -0.958 108.028 108.800 0.310 0.000 2.349 246 G HA2 0.168 4.128 3.960 0.000 0.000 0.294 246 G HA3 0.168 4.128 3.960 0.000 0.000 0.294 246 G C -2.059 172.861 174.900 0.033 0.000 1.380 246 G CA -0.775 44.328 45.100 0.005 0.000 0.811 246 G HN 0.002 nan 8.290 nan 0.000 0.519 247 D N -0.036 120.296 120.400 -0.112 0.000 2.252 247 D HA 0.628 5.268 4.640 0.000 0.000 0.245 247 D C -0.119 176.109 176.300 -0.120 0.000 1.009 247 D CA -0.211 53.785 54.000 -0.007 0.000 0.870 247 D CB 2.268 43.074 40.800 0.011 0.000 1.251 247 D HN 0.311 nan 8.370 nan 0.000 0.460 248 L N 1.431 122.494 121.223 -0.267 0.000 2.334 248 L HA 0.503 4.843 4.340 0.000 0.000 0.275 248 L C -0.813 175.765 176.870 -0.488 0.000 1.036 248 L CA -0.777 53.932 54.840 -0.218 0.000 0.807 248 L CB 0.748 42.663 42.059 -0.239 0.000 1.231 248 L HN 0.305 nan 8.230 nan 0.000 0.438 249 Y N 0.665 120.957 120.300 -0.012 0.000 2.553 249 Y HA 0.587 5.137 4.550 0.000 0.000 0.347 249 Y C -0.451 175.397 175.900 -0.086 0.000 1.019 249 Y CA -0.966 57.121 58.100 -0.023 0.000 1.032 249 Y CB 2.291 40.758 38.460 0.012 0.000 1.284 249 Y HN 0.194 nan 8.280 nan 0.000 0.466 250 V N 2.538 122.487 119.914 0.059 0.000 2.495 250 V HA 0.577 4.697 4.120 0.000 0.000 0.298 250 V C -1.235 174.900 176.094 0.068 0.000 1.031 250 V CA -0.371 61.877 62.300 -0.087 0.000 0.871 250 V CB 1.575 33.275 31.823 -0.204 0.000 0.988 250 V HN 0.868 nan 8.190 nan 0.000 0.432 251 E N 6.958 127.127 120.200 -0.052 0.000 2.248 251 E HA 0.658 5.008 4.350 0.000 0.000 0.267 251 E C -1.823 174.790 176.600 0.021 0.000 0.877 251 E CA -0.574 55.782 56.400 -0.073 0.000 0.759 251 E CB 2.303 31.900 29.700 -0.171 0.000 1.182 251 E HN 0.769 nan 8.360 nan 0.000 0.418 252 Y N -1.020 119.286 120.300 0.010 0.000 2.638 252 Y HA 0.777 5.327 4.550 0.000 0.000 0.335 252 Y C -1.648 174.295 175.900 0.072 0.000 1.155 252 Y CA -1.513 56.644 58.100 0.096 0.000 1.046 252 Y CB 1.206 39.881 38.460 0.359 0.000 1.303 252 Y HN 0.538 nan 8.280 nan 0.000 0.460 253 A N 1.712 124.659 122.820 0.213 0.000 2.319 253 A HA 0.746 5.067 4.320 0.000 0.000 0.310 253 A C -1.790 175.859 177.584 0.109 0.000 1.152 253 A CA -0.805 51.277 52.037 0.076 0.000 0.783 253 A CB 1.289 20.278 19.000 -0.017 0.000 1.184 253 A HN 1.104 nan 8.150 nan 0.000 0.474 254 V N 2.411 122.313 119.914 -0.020 0.000 2.823 254 V HA 0.554 4.674 4.120 0.000 0.000 0.312 254 V C -0.725 175.157 176.094 -0.352 0.000 1.072 254 V CA -0.587 61.516 62.300 -0.328 0.000 0.937 254 V CB 2.100 33.514 31.823 -0.682 0.000 1.013 254 V HN 0.975 nan 8.190 nan 0.000 0.430 255 E N 4.746 124.758 120.200 -0.313 0.000 2.179 255 E HA 0.477 4.827 4.350 0.000 0.000 0.275 255 E C -1.575 175.139 176.600 0.191 0.000 0.945 255 E CA -0.463 55.855 56.400 -0.137 0.000 0.792 255 E CB 1.754 31.389 29.700 -0.108 0.000 1.125 255 E HN 0.460 nan 8.360 nan 0.000 0.397 256 F N 1.620 121.537 119.950 -0.056 0.000 2.470 256 F HA 0.357 4.884 4.527 0.000 0.000 0.329 256 F C 1.144 176.970 175.800 0.044 0.000 1.072 256 F CA -1.117 56.841 58.000 -0.069 0.000 0.989 256 F CB 1.583 40.229 39.000 -0.589 0.000 1.193 256 F HN 0.413 nan 8.300 nan 0.000 0.481 257 K N -0.190 120.372 120.400 0.270 0.000 2.267 257 K HA 0.137 4.457 4.320 0.000 0.000 0.213 257 K C -0.649 176.041 176.600 0.150 0.000 1.060 257 K CA 0.229 56.525 56.287 0.016 0.000 0.935 257 K CB 0.386 32.590 32.500 -0.493 0.000 1.096 257 K HN 0.450 nan 8.250 nan 0.000 0.468 258 D N 2.032 122.544 120.400 0.187 0.000 2.425 258 D HA 0.295 4.935 4.640 0.000 0.000 0.240 258 D C -2.662 173.668 176.300 0.050 0.000 1.080 258 D CA -1.824 52.246 54.000 0.118 0.000 0.836 258 D CB 1.793 42.593 40.800 -0.001 0.000 1.125 258 D HN -0.018 nan 8.370 nan 0.000 0.525 259 P HA -0.005 nan 4.420 nan 0.000 0.264 259 P C -0.465 176.690 177.300 -0.242 0.000 1.183 259 P CA 0.297 63.129 63.100 -0.446 0.000 0.763 259 P CB 0.450 31.969 31.700 -0.301 0.000 0.807 260 Q N 3.179 122.822 119.800 -0.262 0.000 2.605 260 Q HA 0.719 5.059 4.340 0.000 0.000 0.296 260 Q C -2.845 173.077 176.000 -0.130 0.000 1.056 260 Q CA -2.566 53.152 55.803 -0.142 0.000 0.778 260 Q CB 0.098 28.780 28.738 -0.094 0.000 1.497 260 Q HN 0.112 nan 8.270 nan 0.000 0.443 261 P HA 0.045 nan 4.420 nan 0.000 0.264 261 P C -0.425 176.835 177.300 -0.067 0.000 1.183 261 P CA 0.020 63.080 63.100 -0.067 0.000 0.763 261 P CB 0.129 31.802 31.700 -0.046 0.000 0.807 262 I N -0.752 119.782 120.570 -0.060 0.000 2.710 262 I HA 0.182 4.352 4.170 0.000 0.000 0.286 262 I C 1.127 177.224 176.117 -0.033 0.000 1.181 262 I CA -0.111 61.159 61.300 -0.050 0.000 1.430 262 I CB 0.533 38.511 38.000 -0.037 0.000 1.367 262 I HN 0.312 nan 8.210 nan 0.000 0.577 263 A N 4.759 127.562 122.820 -0.030 0.000 2.067 263 A HA 0.450 4.770 4.320 0.000 0.000 0.217 263 A C 1.365 178.943 177.584 -0.009 0.000 1.156 263 A CA 0.727 52.752 52.037 -0.020 0.000 0.683 263 A CB -1.165 17.822 19.000 -0.021 0.000 0.808 263 A HN 1.888 nan 8.150 nan 0.000 0.455 264 G N -2.283 106.515 108.800 -0.004 0.000 2.699 264 G HA2 -0.101 3.859 3.960 0.000 0.000 0.686 264 G HA3 -0.101 3.859 3.960 0.000 0.000 0.686 264 G C 0.025 174.942 174.900 0.030 0.000 1.301 264 G CA -0.095 45.013 45.100 0.014 0.000 0.816 264 G HN 0.304 nan 8.290 nan 0.000 0.595 265 M N 0.235 119.875 119.600 0.066 0.000 2.405 265 M HA 0.274 4.754 4.480 0.000 0.000 0.292 265 M C 0.923 177.361 176.300 0.229 0.000 1.111 265 M CA 0.042 55.420 55.300 0.130 0.000 0.979 265 M CB 1.039 33.721 32.600 0.137 0.000 1.426 265 M HN 0.779 nan 8.290 nan 0.000 0.509 266 V N -0.454 119.555 119.914 0.157 0.000 2.612 266 V HA 0.489 4.609 4.120 0.000 0.000 0.301 266 V C -0.985 175.210 176.094 0.168 0.000 1.046 266 V CA -0.690 61.735 62.300 0.209 0.000 0.946 266 V CB 2.068 33.973 31.823 0.136 0.000 1.003 266 V HN 0.409 nan 8.190 nan 0.000 0.459 267 C N 8.630 128.084 119.300 0.257 0.000 2.351 267 C HA 0.739 5.199 4.460 0.000 0.000 0.326 267 C C -0.323 174.778 174.990 0.185 0.000 1.272 267 C CA -0.779 58.351 59.018 0.187 0.000 1.650 267 C CB 0.894 28.807 27.740 0.289 0.000 2.257 267 C HN 1.074 nan 8.230 nan 0.000 0.505 268 M N 6.881 126.564 119.600 0.139 0.000 2.181 268 M HA 0.460 4.940 4.480 0.000 0.000 0.323 268 M C -1.550 174.853 176.300 0.173 0.000 1.004 268 M CA -0.616 54.769 55.300 0.142 0.000 0.941 268 M CB 1.311 33.961 32.600 0.083 0.000 1.579 268 M HN 0.883 nan 8.290 nan 0.000 0.427 269 F N 4.973 124.956 119.950 0.054 0.000 2.450 269 F HA 0.574 5.101 4.527 0.000 0.000 0.332 269 F C -0.919 174.903 175.800 0.037 0.000 1.093 269 F CA -0.206 57.821 58.000 0.045 0.000 1.003 269 F CB 1.016 40.049 39.000 0.055 0.000 1.151 269 F HN 0.559 nan 8.300 nan 0.000 0.474 270 D N 5.572 125.535 120.400 -0.729 0.000 2.763 270 D HA 0.226 4.866 4.640 0.000 0.000 0.235 270 D C -1.601 174.318 176.300 -0.636 0.000 1.334 270 D CA -0.462 53.266 54.000 -0.452 0.000 0.950 270 D CB 1.539 42.214 40.800 -0.207 0.000 1.433 270 D HN 0.796 nan 8.370 nan 0.000 0.580 271 R N 4.578 124.864 120.500 -0.356 0.000 2.480 271 R HA 0.421 4.762 4.340 0.000 0.000 0.306 271 R C -0.799 175.500 176.300 -0.001 0.000 0.958 271 R CA -0.731 55.277 56.100 -0.154 0.000 0.861 271 R CB 1.227 31.545 30.300 0.031 0.000 1.171 271 R HN 0.386 nan 8.270 nan 0.000 0.445 272 L N 7.261 128.489 121.223 0.008 0.000 2.387 272 L HA 0.087 4.427 4.340 0.000 0.000 0.267 272 L C 1.451 178.401 176.870 0.133 0.000 1.197 272 L CA -0.096 54.781 54.840 0.061 0.000 1.070 272 L CB 1.199 43.278 42.059 0.034 0.000 1.349 272 L HN 0.721 nan 8.230 nan 0.000 0.422 273 V N 1.879 121.858 119.914 0.108 0.000 2.626 273 V HA -0.196 3.924 4.120 0.000 0.000 0.252 273 V C 2.189 178.335 176.094 0.088 0.000 1.067 273 V CA 2.197 64.559 62.300 0.103 0.000 1.081 273 V CB 0.117 31.994 31.823 0.089 0.000 0.686 273 V HN 0.938 nan 8.190 nan 0.000 0.468 274 S N -0.044 115.711 115.700 0.092 0.000 2.400 274 S HA -0.259 4.211 4.470 0.000 0.000 0.232 274 S C 1.921 176.584 174.600 0.104 0.000 1.025 274 S CA 1.864 60.112 58.200 0.079 0.000 0.993 274 S CB -0.992 62.253 63.200 0.076 0.000 0.808 274 S HN 0.814 nan 8.310 nan 0.000 0.478 275 F N 2.291 122.241 119.950 -0.000 0.000 2.149 275 F HA 0.342 4.869 4.527 0.000 0.000 0.294 275 F C 0.946 176.745 175.800 -0.002 0.000 1.095 275 F CA 1.028 59.025 58.000 -0.004 0.000 1.276 275 F CB -0.033 38.961 39.000 -0.010 0.000 1.023 275 F HN 0.372 nan 8.300 nan 0.000 0.480 276 S N -0.860 114.863 115.700 0.038 0.000 2.543 276 S HA 0.216 4.686 4.470 0.000 0.000 0.274 276 S C -0.142 174.487 174.600 0.049 0.000 1.149 276 S CA -0.626 57.532 58.200 -0.070 0.000 0.866 276 S CB 1.144 64.270 63.200 -0.125 0.000 1.111 276 S HN 0.289 nan 8.310 nan 0.000 0.457 277 E N 0.946 121.154 120.200 0.014 0.000 2.511 277 E HA 0.077 4.427 4.350 0.000 0.000 0.196 277 E C 0.785 177.422 176.600 0.061 0.000 1.066 277 E CA 0.631 57.055 56.400 0.040 0.000 0.871 277 E CB 0.290 29.999 29.700 0.015 0.000 0.863 277 E HN 0.526 nan 8.360 nan 0.000 0.520 278 V N -3.951 116.000 119.914 0.063 0.000 3.155 278 V HA 0.871 4.991 4.120 0.000 0.000 0.313 278 V C 0.251 176.406 176.094 0.102 0.000 1.162 278 V CA -0.321 62.025 62.300 0.077 0.000 1.048 278 V CB 1.189 33.041 31.823 0.048 0.000 1.092 278 V HN 0.178 nan 8.190 nan 0.000 0.447 279 G N 0.687 109.541 108.800 0.089 0.000 2.755 279 G HA2 0.434 4.394 3.960 0.000 0.000 0.686 279 G HA3 0.434 4.394 3.960 0.000 0.000 0.686 279 G C -0.274 174.635 174.900 0.015 0.000 1.427 279 G CA 0.276 45.417 45.100 0.067 0.000 0.873 279 G HN 2.901 nan 8.290 nan 0.000 0.580 280 S N -1.452 114.206 115.700 -0.070 0.000 2.633 280 S HA 0.731 5.201 4.470 0.000 0.000 0.271 280 S C -0.715 173.749 174.600 -0.227 0.000 1.112 280 S CA -0.033 58.016 58.200 -0.252 0.000 0.828 280 S CB 1.582 64.490 63.200 -0.487 0.000 1.086 280 S HN 1.646 nan 8.310 nan 0.000 0.461 281 T N 1.916 116.294 114.554 -0.293 0.000 2.744 281 T HA 0.607 4.957 4.350 0.000 0.000 0.291 281 T C -0.355 174.220 174.700 -0.208 0.000 0.957 281 T CA -0.318 61.663 62.100 -0.198 0.000 1.002 281 T CB -0.037 68.737 68.868 -0.158 0.000 0.919 281 T HN 0.540 nan 8.240 nan 0.000 0.468 282 I N 3.722 124.234 120.570 -0.097 0.000 2.406 282 I HA 0.467 4.637 4.170 0.000 0.000 0.290 282 I C 0.103 176.219 176.117 -0.001 0.000 0.999 282 I CA -0.890 60.402 61.300 -0.013 0.000 1.124 282 I CB 1.569 39.610 38.000 0.069 0.000 1.289 282 I HN 0.332 nan 8.210 nan 0.000 0.441 283 K N 3.854 124.263 120.400 0.015 0.000 2.395 283 K HA 0.808 5.128 4.320 0.000 0.000 0.247 283 K C 0.130 176.740 176.600 0.016 0.000 0.973 283 K CA -0.621 55.670 56.287 0.007 0.000 0.828 283 K CB 2.498 34.997 32.500 -0.001 0.000 1.272 283 K HN 0.837 nan 8.250 nan 0.000 0.439 284 G N 0.303 109.101 108.800 -0.003 0.000 2.499 284 G HA2 -0.260 3.700 3.960 0.000 0.000 0.232 284 G HA3 -0.260 3.700 3.960 0.000 0.000 0.232 284 G C -0.580 174.279 174.900 -0.068 0.000 1.251 284 G CA -0.248 44.842 45.100 -0.018 0.000 0.917 284 G HN 0.671 nan 8.290 nan 0.000 0.580 285 V N 1.098 120.920 119.914 -0.153 0.000 2.686 285 V HA 0.555 4.675 4.120 0.000 0.000 0.295 285 V C 1.191 177.065 176.094 -0.367 0.000 1.055 285 V CA 0.430 62.544 62.300 -0.311 0.000 1.050 285 V CB 1.007 32.552 31.823 -0.464 0.000 0.984 285 V HN 1.329 nan 8.190 nan 0.000 0.482 286 N N 4.054 122.609 118.700 -0.241 0.000 3.254 286 N HA 0.076 4.816 4.740 0.000 0.000 0.308 286 N C -0.122 175.354 175.510 -0.057 0.000 1.281 286 N CA -0.320 52.667 53.050 -0.105 0.000 1.212 286 N CB -0.079 38.387 38.487 -0.034 0.000 1.478 286 N HN 0.781 nan 8.380 nan 0.000 0.548 287 Y N 1.033 121.387 120.300 0.091 0.000 2.242 287 Y HA 0.035 4.586 4.550 0.000 0.000 0.291 287 Y C 1.277 177.182 175.900 0.008 0.000 1.137 287 Y CA 0.196 58.335 58.100 0.065 0.000 1.181 287 Y CB -0.085 38.402 38.460 0.044 0.000 0.989 287 Y HN 0.453 nan 8.280 nan 0.000 0.527 288 I N -2.658 118.007 120.570 0.158 0.000 3.002 288 I HA 0.898 5.068 4.170 0.000 0.000 0.310 288 I C -0.618 175.549 176.117 0.083 0.000 1.087 288 I CA -1.588 59.759 61.300 0.079 0.000 1.017 288 I CB 2.201 40.217 38.000 0.027 0.000 1.226 288 I HN -0.211 nan 8.210 nan 0.000 0.443 289 A N 2.086 124.942 122.820 0.060 0.000 2.430 289 A HA 0.448 4.768 4.320 0.000 0.000 0.300 289 A C 0.215 177.861 177.584 0.104 0.000 1.124 289 A CA -0.296 51.786 52.037 0.074 0.000 0.766 289 A CB 1.468 20.484 19.000 0.027 0.000 1.328 289 A HN 0.920 nan 8.150 nan 0.000 0.424 290 D N 0.385 120.866 120.400 0.135 0.000 2.192 290 D HA -0.296 4.344 4.640 0.000 0.000 0.189 290 D C 1.790 178.160 176.300 0.116 0.000 1.007 290 D CA 2.653 56.763 54.000 0.182 0.000 0.859 290 D CB 0.005 40.877 40.800 0.119 0.000 0.936 290 D HN 0.649 nan 8.370 nan 0.000 0.447 291 R N -0.031 120.501 120.500 0.053 0.000 2.249 291 R HA -0.062 4.278 4.340 0.000 0.000 0.230 291 R C 1.279 177.571 176.300 -0.013 0.000 1.121 291 R CA 1.540 57.651 56.100 0.017 0.000 0.997 291 R CB -0.378 29.923 30.300 0.002 0.000 0.867 291 R HN 0.214 nan 8.270 nan 0.000 0.465 292 D N 0.446 120.832 120.400 -0.023 0.000 2.317 292 D HA 0.020 4.660 4.640 0.000 0.000 0.211 292 D C -0.173 176.034 176.300 -0.155 0.000 0.966 292 D CA 0.639 54.593 54.000 -0.076 0.000 0.876 292 D CB 0.372 41.131 40.800 -0.068 0.000 0.927 292 D HN 0.050 nan 8.370 nan 0.000 0.519 293 V N 2.441 122.260 119.914 -0.159 0.000 2.313 293 V HA 0.276 4.396 4.120 0.000 0.000 0.278 293 V C 0.265 176.298 176.094 -0.101 0.000 1.017 293 V CA -0.594 61.555 62.300 -0.252 0.000 0.823 293 V CB 1.463 32.947 31.823 -0.565 0.000 1.010 293 V HN -0.100 nan 8.190 nan 0.000 0.443 294 I N 3.789 124.291 120.570 -0.113 0.000 2.353 294 I HA 0.394 4.564 4.170 0.000 0.000 0.293 294 I C 0.500 176.587 176.117 -0.049 0.000 0.992 294 I CA 0.184 61.448 61.300 -0.060 0.000 1.268 294 I CB 1.660 39.619 38.000 -0.067 0.000 1.387 294 I HN 0.482 nan 8.210 nan 0.000 0.478 295 T N 4.173 118.722 114.554 -0.007 0.000 3.305 295 T HA 0.349 4.700 4.350 0.000 0.000 0.348 295 T C -0.663 174.044 174.700 0.012 0.000 1.394 295 T CA -0.204 61.903 62.100 0.013 0.000 1.549 295 T CB 0.158 69.061 68.868 0.059 0.000 0.962 295 T HN 0.753 nan 8.240 nan 0.000 0.609 296 T N 0.629 115.182 114.554 -0.001 0.000 2.830 296 T HA 0.533 4.883 4.350 0.000 0.000 0.322 296 T C 0.634 175.330 174.700 -0.007 0.000 1.501 296 T CA 0.622 62.720 62.100 -0.003 0.000 1.036 296 T CB 1.042 69.906 68.868 -0.006 0.000 1.379 296 T HN 0.810 nan 8.240 nan 0.000 0.493 297 G N 1.071 109.868 108.800 -0.006 0.000 2.321 297 G HA2 0.065 4.025 3.960 0.000 0.000 0.287 297 G HA3 0.065 4.025 3.960 0.000 0.000 0.287 297 G C 1.296 176.193 174.900 -0.005 0.000 1.018 297 G CA 1.285 46.381 45.100 -0.006 0.000 0.855 297 G HN 2.192 nan 8.290 nan 0.000 0.507 298 G N -1.952 106.847 108.800 -0.002 0.000 2.148 298 G HA2 -0.290 3.670 3.960 0.000 0.000 0.254 298 G HA3 -0.290 3.670 3.960 0.000 0.000 0.254 298 G C 0.053 174.952 174.900 -0.003 0.000 0.981 298 G CA 0.698 45.798 45.100 0.000 0.000 0.670 298 G HN 1.149 nan 8.290 nan 0.000 0.528 299 N N -0.838 117.856 118.700 -0.009 0.000 2.335 299 N HA 0.746 5.486 4.740 0.000 0.000 0.304 299 N C -0.602 174.895 175.510 -0.023 0.000 1.135 299 N CA -0.833 52.206 53.050 -0.019 0.000 0.817 299 N CB 1.695 40.165 38.487 -0.029 0.000 1.294 299 N HN 0.146 nan 8.380 nan 0.000 0.497 300 I N 0.795 121.345 120.570 -0.033 0.000 2.418 300 I HA 0.468 4.638 4.170 0.000 0.000 0.287 300 I C -0.023 176.017 176.117 -0.127 0.000 1.008 300 I CA -0.612 60.654 61.300 -0.057 0.000 1.104 300 I CB 1.937 39.926 38.000 -0.017 0.000 1.264 300 I HN 0.496 nan 8.210 nan 0.000 0.438 301 G N 5.076 113.769 108.800 -0.179 0.000 2.530 301 G HA2 0.607 4.568 3.960 0.000 0.000 0.316 301 G HA3 0.607 4.568 3.960 0.000 0.000 0.316 301 G C -1.363 173.307 174.900 -0.384 0.000 1.298 301 G CA -0.603 44.332 45.100 -0.275 0.000 0.948 301 G HN 0.443 nan 8.290 nan 0.000 0.486 302 V N 1.659 121.188 119.914 -0.640 0.000 2.540 302 V HA 0.625 4.745 4.120 0.000 0.000 0.302 302 V C -0.994 174.833 176.094 -0.444 0.000 1.035 302 V CA -1.205 60.731 62.300 -0.607 0.000 0.873 302 V CB 1.755 33.139 31.823 -0.732 0.000 0.992 302 V HN 0.652 nan 8.190 nan 0.000 0.428 303 N N 6.426 124.970 118.700 -0.260 0.000 2.476 303 N HA 0.467 5.207 4.740 0.000 0.000 0.257 303 N C -0.866 174.581 175.510 -0.106 0.000 0.970 303 N CA -0.267 52.698 53.050 -0.143 0.000 0.938 303 N CB 2.086 40.519 38.487 -0.091 0.000 1.144 303 N HN 0.680 nan 8.380 nan 0.000 0.500 304 I N 2.083 122.601 120.570 -0.087 0.000 2.276 304 I HA 0.120 4.290 4.170 0.000 0.000 0.290 304 I C 0.403 176.504 176.117 -0.027 0.000 1.109 304 I CA -0.182 61.043 61.300 -0.125 0.000 1.229 304 I CB -0.294 37.513 38.000 -0.321 0.000 1.452 304 I HN 0.303 nan 8.210 nan 0.000 0.497 305 N N 7.013 125.724 118.700 0.019 0.000 2.597 305 N HA 0.367 5.107 4.740 0.000 0.000 0.269 305 N C -0.591 174.998 175.510 0.131 0.000 1.204 305 N CA -0.031 53.066 53.050 0.078 0.000 0.947 305 N CB 0.280 38.809 38.487 0.070 0.000 1.258 305 N HN 0.463 nan 8.380 nan 0.000 0.508 306 I N 1.147 121.812 120.570 0.160 0.000 2.512 306 I HA 0.314 4.484 4.170 0.000 0.000 0.287 306 I C -2.339 173.984 176.117 0.342 0.000 1.069 306 I CA -2.453 58.996 61.300 0.249 0.000 1.056 306 I CB 2.639 40.831 38.000 0.320 0.000 1.229 306 I HN -0.104 nan 8.210 nan 0.000 0.429 307 P HA 0.315 nan 4.420 nan 0.000 0.269 307 P C -0.006 177.516 177.300 0.369 0.000 1.209 307 P CA 0.472 63.797 63.100 0.374 0.000 0.776 307 P CB 1.176 33.167 31.700 0.485 0.000 0.876 308 G N 0.999 109.981 108.800 0.304 0.000 2.362 308 G HA2 0.238 4.198 3.960 0.000 0.000 0.288 308 G HA3 0.238 4.198 3.960 0.000 0.000 0.288 308 G C -1.591 173.284 174.900 -0.042 0.000 1.305 308 G CA -0.657 44.470 45.100 0.044 0.000 0.910 308 G HN 0.499 nan 8.290 nan 0.000 0.518 309 T N 0.557 114.920 114.554 -0.318 0.000 2.797 309 T HA 0.718 5.068 4.350 0.000 0.000 0.279 309 T C -1.254 173.163 174.700 -0.472 0.000 0.991 309 T CA -0.058 61.929 62.100 -0.188 0.000 0.979 309 T CB 1.172 69.981 68.868 -0.098 0.000 0.943 309 T HN 0.457 nan 8.240 nan 0.000 0.444 310 Y N 1.099 121.380 120.300 -0.032 0.000 2.545 310 Y HA 0.656 5.206 4.550 0.000 0.000 0.348 310 Y C -0.504 175.351 175.900 -0.075 0.000 1.002 310 Y CA -1.455 56.590 58.100 -0.092 0.000 1.039 310 Y CB 1.559 39.941 38.460 -0.130 0.000 1.271 310 Y HN 0.459 nan 8.280 nan 0.000 0.467 311 L N 4.039 125.286 121.223 0.040 0.000 2.272 311 L HA 0.788 5.128 4.340 0.000 0.000 0.289 311 L C -0.879 175.937 176.870 -0.090 0.000 1.032 311 L CA -0.614 54.196 54.840 -0.049 0.000 0.810 311 L CB 1.004 43.018 42.059 -0.074 0.000 1.205 311 L HN 0.507 nan 8.230 nan 0.000 0.422 312 V N 3.019 122.761 119.914 -0.287 0.000 2.864 312 V HA 0.825 4.945 4.120 0.000 0.000 0.314 312 V C -0.638 175.203 176.094 -0.422 0.000 1.073 312 V CA -0.008 62.067 62.300 -0.375 0.000 0.956 312 V CB 2.327 33.862 31.823 -0.479 0.000 1.023 312 V HN 0.854 nan 8.190 nan 0.000 0.435 313 T N 6.473 120.897 114.554 -0.216 0.000 2.949 313 T HA 0.649 4.999 4.350 0.000 0.000 0.300 313 T C -0.825 173.852 174.700 -0.039 0.000 0.988 313 T CA -0.004 62.016 62.100 -0.132 0.000 0.993 313 T CB 0.767 69.617 68.868 -0.030 0.000 0.984 313 T HN 0.743 nan 8.240 nan 0.000 0.442 314 I N 2.293 122.856 120.570 -0.011 0.000 2.354 314 I HA 0.603 4.773 4.170 0.000 0.000 0.292 314 I C -0.203 175.968 176.117 0.089 0.000 0.989 314 I CA -1.060 60.298 61.300 0.097 0.000 1.188 314 I CB 1.469 39.585 38.000 0.193 0.000 1.342 314 I HN 0.241 nan 8.210 nan 0.000 0.457 315 V N 6.760 126.730 119.914 0.094 0.000 2.398 315 V HA 0.455 4.575 4.120 0.000 0.000 0.286 315 V C -0.369 175.780 176.094 0.092 0.000 1.026 315 V CA -0.551 61.797 62.300 0.079 0.000 0.868 315 V CB 1.578 33.439 31.823 0.063 0.000 0.982 315 V HN 0.389 nan 8.190 nan 0.000 0.443 316 L N 5.027 126.299 121.223 0.081 0.000 2.313 316 L HA 0.512 4.852 4.340 0.000 0.000 0.283 316 L C 0.180 177.087 176.870 0.062 0.000 1.013 316 L CA -0.371 54.517 54.840 0.080 0.000 0.816 316 L CB 1.660 43.767 42.059 0.080 0.000 1.236 316 L HN 0.547 nan 8.230 nan 0.000 0.419 317 N N 3.740 122.476 118.700 0.060 0.000 2.437 317 N HA 0.679 5.419 4.740 0.000 0.000 0.243 317 N C -0.683 174.853 175.510 0.044 0.000 1.041 317 N CA -0.072 53.007 53.050 0.047 0.000 0.940 317 N CB 1.678 40.192 38.487 0.044 0.000 1.133 317 N HN 0.684 nan 8.380 nan 0.000 0.506 318 A N 1.408 124.250 122.820 0.038 0.000 2.594 318 A HA 0.326 4.646 4.320 0.000 0.000 0.296 318 A C 0.871 178.472 177.584 0.027 0.000 1.056 318 A CA -0.586 51.471 52.037 0.033 0.000 0.693 318 A CB 0.586 19.608 19.000 0.037 0.000 1.278 318 A HN 0.359 nan 8.150 nan 0.000 0.408 319 T N 1.097 115.664 114.554 0.023 0.000 2.635 319 T HA 0.033 4.383 4.350 0.000 0.000 0.267 319 T C 1.057 175.768 174.700 0.018 0.000 1.040 319 T CA 2.255 64.366 62.100 0.019 0.000 1.156 319 T CB -0.361 68.517 68.868 0.016 0.000 0.863 319 T HN 1.844 nan 8.240 nan 0.000 0.430 320 S N 0.160 115.871 115.700 0.019 0.000 2.570 320 S HA 0.688 5.158 4.470 0.000 0.000 0.270 320 S C -1.084 173.528 174.600 0.020 0.000 1.149 320 S CA -1.305 56.906 58.200 0.018 0.000 0.837 320 S CB 1.814 65.022 63.200 0.014 0.000 1.124 320 S HN 0.513 nan 8.310 nan 0.000 0.465 321 I N -1.323 119.260 120.570 0.020 0.000 3.042 321 I HA 0.960 5.130 4.170 0.000 0.000 0.310 321 I C 0.486 176.612 176.117 0.015 0.000 1.117 321 I CA -1.053 60.260 61.300 0.021 0.000 1.003 321 I CB 1.497 39.515 38.000 0.031 0.000 1.228 321 I HN 0.798 nan 8.210 nan 0.000 0.443 322 G N 1.537 110.343 108.800 0.011 0.000 3.223 322 G HA2 0.410 4.370 3.960 0.000 0.000 0.198 322 G HA3 0.410 4.370 3.960 0.000 0.000 0.198 322 G C -0.432 174.469 174.900 0.002 0.000 1.980 322 G CA -0.370 44.733 45.100 0.005 0.000 0.828 322 G HN 0.598 nan 8.290 nan 0.000 0.680 323 S N -0.204 115.492 115.700 -0.007 0.000 2.525 323 S HA 0.504 4.974 4.470 0.000 0.000 0.290 323 S C -0.509 174.067 174.600 -0.041 0.000 1.152 323 S CA -0.453 57.737 58.200 -0.017 0.000 1.072 323 S CB 1.313 64.503 63.200 -0.016 0.000 1.027 323 S HN 0.351 nan 8.310 nan 0.000 0.500 324 L N 4.317 125.501 121.223 -0.065 0.000 2.281 324 L HA 0.453 4.793 4.340 0.000 0.000 0.285 324 L C -0.003 176.729 176.870 -0.229 0.000 1.074 324 L CA -0.051 54.690 54.840 -0.164 0.000 0.817 324 L CB 0.662 42.602 42.059 -0.198 0.000 1.168 324 L HN 0.800 nan 8.230 nan 0.000 0.434 325 T N 0.653 115.010 114.554 -0.328 0.000 2.916 325 T HA 0.552 4.902 4.350 0.000 0.000 0.292 325 T C -0.570 173.824 174.700 -0.510 0.000 1.055 325 T CA -0.523 61.417 62.100 -0.267 0.000 1.009 325 T CB 1.616 70.426 68.868 -0.097 0.000 1.118 325 T HN 0.293 nan 8.240 nan 0.000 0.497 326 F N 1.495 121.441 119.950 -0.007 0.000 2.531 326 F HA 0.330 4.857 4.527 0.000 0.000 0.333 326 F C 1.431 177.242 175.800 0.018 0.000 1.292 326 F CA -0.972 57.036 58.000 0.014 0.000 1.184 326 F CB 1.009 40.001 39.000 -0.014 0.000 1.426 326 F HN 0.859 nan 8.300 nan 0.000 0.559 327 T N -3.106 111.514 114.554 0.109 0.000 3.134 327 T HA 0.463 4.813 4.350 0.000 0.000 0.260 327 T C 0.957 175.697 174.700 0.068 0.000 1.027 327 T CA 0.172 62.319 62.100 0.077 0.000 0.913 327 T CB 0.306 69.195 68.868 0.035 0.000 1.046 327 T HN 0.420 nan 8.240 nan 0.000 0.553 328 G N 2.405 111.259 108.800 0.090 0.000 3.341 328 G HA2 0.311 4.271 3.960 0.000 0.000 0.177 328 G HA3 0.311 4.271 3.960 0.000 0.000 0.177 328 G C 0.617 175.575 174.900 0.096 0.000 1.236 328 G CA -0.197 44.948 45.100 0.074 0.000 0.888 328 G HN 0.354 nan 8.290 nan 0.000 0.644 329 N N -0.262 118.498 118.700 0.100 0.000 2.383 329 N HA 0.160 4.900 4.740 0.000 0.000 0.192 329 N C 0.007 175.601 175.510 0.139 0.000 1.141 329 N CA -0.013 53.102 53.050 0.109 0.000 0.851 329 N CB 0.410 38.958 38.487 0.102 0.000 0.976 329 N HN 0.126 nan 8.380 nan 0.000 0.465 330 S N -0.538 115.268 115.700 0.176 0.000 2.570 330 S HA 0.502 4.972 4.470 0.000 0.000 0.286 330 S C -0.803 173.904 174.600 0.178 0.000 1.099 330 S CA -0.982 57.343 58.200 0.207 0.000 0.913 330 S CB 2.355 65.738 63.200 0.304 0.000 1.085 330 S HN 0.062 nan 8.310 nan 0.000 0.480 331 K N 1.450 121.885 120.400 0.058 0.000 2.316 331 K HA 0.403 4.723 4.320 0.000 0.000 0.251 331 K C -0.933 175.471 176.600 -0.328 0.000 0.934 331 K CA -0.736 55.486 56.287 -0.108 0.000 0.802 331 K CB 2.245 34.712 32.500 -0.055 0.000 1.171 331 K HN 0.518 nan 8.250 nan 0.000 0.426 332 L N 2.831 123.600 121.223 -0.758 0.000 2.490 332 L HA 0.095 4.435 4.340 0.000 0.000 0.274 332 L C -0.719 175.967 176.870 -0.307 0.000 1.201 332 L CA -0.025 54.337 54.840 -0.798 0.000 0.869 332 L CB 0.660 42.137 42.059 -0.970 0.000 1.123 332 L HN 0.281 nan 8.230 nan 0.000 0.484 333 V N 5.472 125.291 119.914 -0.159 0.000 2.378 333 V HA 0.641 4.761 4.120 0.000 0.000 0.288 333 V C 0.734 176.812 176.094 -0.026 0.000 1.016 333 V CA 0.293 62.552 62.300 -0.068 0.000 0.840 333 V CB 0.522 32.328 31.823 -0.030 0.000 0.994 333 V HN 1.171 nan 8.190 nan 0.000 0.431 334 G N 5.159 113.946 108.800 -0.022 0.000 2.528 334 G HA2 -0.254 3.706 3.960 0.000 0.000 0.262 334 G HA3 -0.254 3.706 3.960 0.000 0.000 0.262 334 G C -0.051 174.871 174.900 0.036 0.000 1.200 334 G CA 0.245 45.356 45.100 0.018 0.000 0.951 334 G HN 0.754 nan 8.290 nan 0.000 0.566 335 N N 0.234 118.996 118.700 0.104 0.000 2.487 335 N HA 0.497 5.237 4.740 0.000 0.000 0.292 335 N C -0.505 175.103 175.510 0.164 0.000 1.108 335 N CA 0.377 53.488 53.050 0.102 0.000 0.956 335 N CB 1.574 40.114 38.487 0.089 0.000 1.176 335 N HN 0.651 nan 8.380 nan 0.000 0.484 336 S N 2.464 118.227 115.700 0.105 0.000 2.480 336 S HA 0.429 4.899 4.470 0.000 0.000 0.286 336 S C -0.743 173.890 174.600 0.054 0.000 1.180 336 S CA -0.675 57.611 58.200 0.144 0.000 1.075 336 S CB 0.292 63.544 63.200 0.086 0.000 0.996 336 S HN 0.351 nan 8.310 nan 0.000 0.487 337 L N 5.454 126.680 121.223 0.004 0.000 2.276 337 L HA 0.498 4.838 4.340 0.000 0.000 0.286 337 L C -0.458 176.396 176.870 -0.027 0.000 1.024 337 L CA 0.006 54.781 54.840 -0.108 0.000 0.826 337 L CB 0.716 42.557 42.059 -0.363 0.000 1.211 337 L HN 0.701 nan 8.230 nan 0.000 0.422 338 N N 2.655 121.349 118.700 -0.010 0.000 2.399 338 N HA 0.647 5.387 4.740 0.000 0.000 0.280 338 N C -1.271 174.239 175.510 0.002 0.000 1.008 338 N CA -0.590 52.469 53.050 0.015 0.000 0.894 338 N CB 2.627 41.130 38.487 0.026 0.000 1.273 338 N HN 0.148 nan 8.380 nan 0.000 0.486 339 V N 1.639 121.558 119.914 0.007 0.000 2.407 339 V HA 0.486 4.606 4.120 0.000 0.000 0.291 339 V C -0.067 176.036 176.094 0.015 0.000 1.018 339 V CA -0.652 61.651 62.300 0.005 0.000 0.842 339 V CB 1.178 33.000 31.823 -0.002 0.000 0.996 339 V HN 0.804 nan 8.190 nan 0.000 0.426 340 T N 1.332 115.894 114.554 0.014 0.000 2.829 340 T HA 0.849 5.199 4.350 0.000 0.000 0.280 340 T C -0.194 174.515 174.700 0.014 0.000 0.999 340 T CA -0.480 61.630 62.100 0.017 0.000 0.983 340 T CB 1.872 70.750 68.868 0.017 0.000 0.968 340 T HN 0.835 nan 8.240 nan 0.000 0.446 341 S N 1.287 116.997 115.700 0.016 0.000 2.685 341 S HA 0.669 5.139 4.470 0.000 0.000 0.282 341 S C -0.445 174.164 174.600 0.015 0.000 1.159 341 S CA -0.941 57.268 58.200 0.014 0.000 0.833 341 S CB 1.526 64.735 63.200 0.013 0.000 1.151 341 S HN 0.798 nan 8.310 nan 0.000 0.485 342 S N 0.081 115.789 115.700 0.013 0.000 2.430 342 S HA 0.511 4.981 4.470 0.000 0.000 0.282 342 S C 1.250 175.860 174.600 0.016 0.000 1.186 342 S CA 0.846 59.054 58.200 0.014 0.000 1.060 342 S CB -0.800 62.407 63.200 0.011 0.000 0.966 342 S HN 2.108 nan 8.310 nan 0.000 0.501 343 G N 3.133 111.944 108.800 0.018 0.000 2.259 343 G HA2 0.055 4.015 3.960 0.000 0.000 0.217 343 G HA3 0.055 4.015 3.960 0.000 0.000 0.217 343 G C 0.031 174.946 174.900 0.025 0.000 1.001 343 G CA -0.223 44.889 45.100 0.020 0.000 0.627 343 G HN 1.522 nan 8.290 nan 0.000 0.501 344 A N -0.700 122.135 122.820 0.025 0.000 2.574 344 A HA 0.888 5.208 4.320 0.000 0.000 0.297 344 A C -0.457 177.145 177.584 0.031 0.000 1.062 344 A CA 0.652 52.706 52.037 0.030 0.000 0.686 344 A CB 1.500 20.516 19.000 0.027 0.000 1.285 344 A HN 1.377 nan 8.150 nan 0.000 0.403 345 S N -0.346 115.377 115.700 0.038 0.000 2.569 345 S HA 0.888 5.358 4.470 0.000 0.000 0.280 345 S C -0.538 174.090 174.600 0.047 0.000 1.111 345 S CA -0.074 58.150 58.200 0.040 0.000 0.887 345 S CB 1.952 65.179 63.200 0.045 0.000 1.095 345 S HN 1.967 nan 8.310 nan 0.000 0.476 346 A N 1.906 124.751 122.820 0.042 0.000 2.359 346 A HA 0.817 5.137 4.320 0.000 0.000 0.303 346 A C -1.625 175.988 177.584 0.049 0.000 1.066 346 A CA -0.568 51.495 52.037 0.043 0.000 0.730 346 A CB 0.475 19.490 19.000 0.026 0.000 1.211 346 A HN 0.577 nan 8.150 nan 0.000 0.439 347 L N 1.092 122.359 121.223 0.074 0.000 2.365 347 L HA 0.850 5.190 4.340 0.000 0.000 0.273 347 L C 0.230 177.137 176.870 0.060 0.000 1.000 347 L CA -0.308 54.606 54.840 0.123 0.000 0.819 347 L CB 2.305 44.503 42.059 0.232 0.000 1.284 347 L HN 0.665 nan 8.230 nan 0.000 0.418 348 T N 2.761 117.362 114.554 0.077 0.000 2.916 348 T HA 0.867 5.217 4.350 0.000 0.000 0.298 348 T C -1.372 173.459 174.700 0.219 0.000 1.031 348 T CA -0.354 61.728 62.100 -0.030 0.000 0.993 348 T CB 0.631 69.509 68.868 0.017 0.000 1.045 348 T HN 0.467 nan 8.240 nan 0.000 0.454 349 F N 0.058 120.153 119.950 0.242 0.000 2.744 349 F HA 0.643 5.170 4.527 0.000 0.000 0.311 349 F C -0.664 175.204 175.800 0.112 0.000 1.144 349 F CA -1.090 57.059 58.000 0.249 0.000 0.938 349 F CB 0.996 40.070 39.000 0.123 0.000 1.292 349 F HN 0.520 nan 8.300 nan 0.000 0.444 350 T N 3.157 117.868 114.554 0.261 0.000 2.794 350 T HA 0.749 5.099 4.350 0.000 0.000 0.280 350 T C -0.725 174.101 174.700 0.210 0.000 0.987 350 T CA -0.606 61.573 62.100 0.132 0.000 0.993 350 T CB 1.033 69.886 68.868 -0.026 0.000 0.939 350 T HN 1.158 nan 8.240 nan 0.000 0.449 351 L N 1.733 123.109 121.223 0.256 0.000 2.286 351 L HA 0.806 5.146 4.340 0.000 0.000 0.265 351 L C -0.992 175.988 176.870 0.185 0.000 1.012 351 L CA -1.117 53.843 54.840 0.200 0.000 0.818 351 L CB 1.875 44.145 42.059 0.352 0.000 1.337 351 L HN 0.713 nan 8.230 nan 0.000 0.438 352 N N 0.885 119.668 118.700 0.138 0.000 2.524 352 N HA 0.287 5.027 4.740 0.000 0.000 0.261 352 N C -1.388 174.233 175.510 0.184 0.000 0.998 352 N CA -0.093 53.041 53.050 0.141 0.000 0.915 352 N CB 1.559 40.085 38.487 0.064 0.000 1.187 352 N HN 0.747 nan 8.380 nan 0.000 0.507 353 S N 1.990 117.851 115.700 0.268 0.000 2.541 353 S HA 0.281 4.751 4.470 0.000 0.000 0.283 353 S C 1.005 175.739 174.600 0.224 0.000 1.196 353 S CA -0.348 58.001 58.200 0.250 0.000 1.062 353 S CB 0.982 64.344 63.200 0.270 0.000 1.009 353 S HN 0.578 nan 8.310 nan 0.000 0.502 354 T N 3.234 117.898 114.554 0.183 0.000 3.067 354 T HA 0.249 4.599 4.350 0.000 0.000 0.261 354 T C 1.463 176.300 174.700 0.228 0.000 1.110 354 T CA 1.332 63.536 62.100 0.174 0.000 1.113 354 T CB -0.788 68.156 68.868 0.126 0.000 0.917 354 T HN 1.302 nan 8.240 nan 0.000 0.499 355 G N 0.615 109.543 108.800 0.214 0.000 2.267 355 G HA2 -0.263 3.697 3.960 0.000 0.000 0.257 355 G HA3 -0.263 3.697 3.960 0.000 0.000 0.257 355 G C 0.473 175.473 174.900 0.166 0.000 0.998 355 G CA 0.420 45.644 45.100 0.208 0.000 0.620 355 G HN 1.028 nan 8.290 nan 0.000 0.529 356 V N 2.565 122.574 119.914 0.159 0.000 2.488 356 V HA 0.643 4.763 4.120 0.000 0.000 0.277 356 V C -1.597 174.558 176.094 0.103 0.000 1.046 356 V CA -1.553 60.827 62.300 0.134 0.000 0.986 356 V CB 1.082 32.982 31.823 0.127 0.000 0.989 356 V HN 0.229 nan 8.190 nan 0.000 0.475 357 P HA 0.198 nan 4.420 nan 0.000 0.271 357 P C -1.007 176.324 177.300 0.051 0.000 1.216 357 P CA -0.020 63.119 63.100 0.066 0.000 0.776 357 P CB 0.583 32.322 31.700 0.065 0.000 0.881 358 N N 1.194 119.913 118.700 0.033 0.000 2.410 358 N HA 0.109 4.849 4.740 0.000 0.000 0.287 358 N C 0.672 176.187 175.510 0.007 0.000 1.044 358 N CA -0.388 52.676 53.050 0.024 0.000 0.881 358 N CB 1.386 39.889 38.487 0.027 0.000 1.405 358 N HN 0.229 nan 8.380 nan 0.000 0.490 359 S N 1.255 116.958 115.700 0.006 0.000 2.527 359 S HA 0.038 4.509 4.470 0.000 0.000 0.222 359 S C 1.231 175.825 174.600 -0.009 0.000 0.985 359 S CA 0.379 58.577 58.200 -0.004 0.000 0.921 359 S CB 0.200 63.399 63.200 -0.001 0.000 0.772 359 S HN 0.390 nan 8.310 nan 0.000 0.529 360 S N 1.921 117.618 115.700 -0.005 0.000 2.427 360 S HA 0.252 4.722 4.470 0.000 0.000 0.224 360 S C -0.010 174.581 174.600 -0.014 0.000 1.047 360 S CA 0.014 58.209 58.200 -0.008 0.000 0.953 360 S CB -0.162 63.038 63.200 -0.001 0.000 0.824 360 S HN 0.608 nan 8.310 nan 0.000 0.502 361 N N 0.846 119.540 118.700 -0.010 0.000 2.354 361 N HA 0.470 5.210 4.740 0.000 0.000 0.287 361 N C -1.029 174.465 175.510 -0.025 0.000 1.016 361 N CA -0.197 52.843 53.050 -0.016 0.000 0.871 361 N CB 1.796 40.285 38.487 0.003 0.000 1.299 361 N HN -0.039 nan 8.380 nan 0.000 0.482 362 S N 0.049 115.712 115.700 -0.061 0.000 2.641 362 S HA 0.153 4.623 4.470 0.000 0.000 0.261 362 S C 1.110 175.676 174.600 -0.056 0.000 1.257 362 S CA -0.624 57.519 58.200 -0.095 0.000 0.983 362 S CB 0.794 63.880 63.200 -0.189 0.000 0.990 362 S HN 0.548 nan 8.310 nan 0.000 0.572 363 S N 0.271 115.934 115.700 -0.062 0.000 2.356 363 S HA 0.038 4.508 4.470 0.000 0.000 0.223 363 S C 0.308 175.030 174.600 0.203 0.000 1.032 363 S CA 1.287 59.540 58.200 0.088 0.000 1.005 363 S CB -0.356 62.909 63.200 0.107 0.000 0.867 363 S HN 0.669 nan 8.310 nan 0.000 0.449 364 F N -0.782 119.135 119.950 -0.054 0.000 2.613 364 F HA 0.831 5.358 4.527 0.000 0.000 0.310 364 F C -0.792 174.865 175.800 -0.239 0.000 1.085 364 F CA -1.077 56.737 58.000 -0.309 0.000 0.945 364 F CB 1.405 40.121 39.000 -0.472 0.000 1.298 364 F HN -0.322 nan 8.300 nan 0.000 0.455 365 S N 1.401 117.008 115.700 -0.155 0.000 2.548 365 S HA 0.722 5.192 4.470 0.000 0.000 0.286 365 S C -1.522 173.048 174.600 -0.051 0.000 1.098 365 S CA -0.820 57.302 58.200 -0.130 0.000 0.930 365 S CB 2.061 65.188 63.200 -0.122 0.000 1.070 365 S HN 0.920 nan 8.310 nan 0.000 0.480 366 V N 2.611 122.519 119.914 -0.010 0.000 2.487 366 V HA 0.885 5.005 4.120 0.000 0.000 0.298 366 V C 0.236 176.325 176.094 -0.009 0.000 1.028 366 V CA -0.094 62.209 62.300 0.005 0.000 0.860 366 V CB 0.975 32.835 31.823 0.062 0.000 0.991 366 V HN 0.936 nan 8.190 nan 0.000 0.427 367 G N 3.341 112.132 108.800 -0.015 0.000 2.511 367 G HA2 0.523 4.483 3.960 0.000 0.000 0.316 367 G HA3 0.523 4.483 3.960 0.000 0.000 0.316 367 G C 0.341 175.239 174.900 -0.003 0.000 1.210 367 G CA 0.066 45.158 45.100 -0.013 0.000 0.969 367 G HN 2.036 nan 8.290 nan 0.000 0.492 368 T N -3.392 111.160 114.554 -0.003 0.000 3.361 368 T HA -0.204 4.146 4.350 0.000 0.000 0.417 368 T C 0.042 174.746 174.700 0.007 0.000 0.769 368 T CA 0.337 62.438 62.100 0.001 0.000 2.085 368 T CB -2.139 66.730 68.868 0.001 0.000 1.689 368 T HN 0.845 nan 8.240 nan 0.000 0.639 369 V N 1.743 121.662 119.914 0.008 0.000 2.394 369 V HA 0.547 4.667 4.120 0.000 0.000 0.282 369 V C 0.598 176.700 176.094 0.014 0.000 1.031 369 V CA -0.862 61.447 62.300 0.015 0.000 0.881 369 V CB 1.845 33.680 31.823 0.020 0.000 0.982 369 V HN 0.608 nan 8.190 nan 0.000 0.451 370 V N 4.271 124.195 119.914 0.016 0.000 2.370 370 V HA 0.672 4.792 4.120 0.000 0.000 0.283 370 V C 0.609 176.714 176.094 0.018 0.000 1.023 370 V CA -0.157 62.152 62.300 0.014 0.000 0.857 370 V CB 1.009 32.840 31.823 0.012 0.000 0.985 370 V HN 1.292 nan 8.190 nan 0.000 0.443 371 A N 5.259 128.089 122.820 0.017 0.000 2.416 371 A HA -0.166 4.154 4.320 0.000 0.000 0.293 371 A C -0.046 177.553 177.584 0.026 0.000 1.452 371 A CA 0.315 52.364 52.037 0.019 0.000 0.738 371 A CB -1.330 17.680 19.000 0.017 0.000 1.123 371 A HN 0.879 nan 8.150 nan 0.000 0.389 372 L N 1.689 122.930 121.223 0.030 0.000 2.433 372 L HA 0.254 4.594 4.340 0.000 0.000 0.275 372 L C 1.718 178.614 176.870 0.044 0.000 1.128 372 L CA 0.761 55.625 54.840 0.040 0.000 0.875 372 L CB 0.931 43.016 42.059 0.043 0.000 1.171 372 L HN 0.903 nan 8.230 nan 0.000 0.463 373 T N 1.654 116.236 114.554 0.048 0.000 3.033 373 T HA 0.103 4.453 4.350 0.000 0.000 0.248 373 T C 0.739 175.477 174.700 0.063 0.000 1.040 373 T CA -0.214 61.917 62.100 0.051 0.000 1.133 373 T CB 0.282 69.176 68.868 0.043 0.000 0.895 373 T HN 0.518 nan 8.240 nan 0.000 0.465 374 R N 0.240 120.779 120.500 0.065 0.000 2.626 374 R HA 0.634 4.974 4.340 0.000 0.000 0.274 374 R C -2.392 173.967 176.300 0.097 0.000 1.031 374 R CA -0.594 55.550 56.100 0.072 0.000 0.898 374 R CB 2.267 32.598 30.300 0.052 0.000 1.222 374 R HN 0.098 nan 8.270 nan 0.000 0.455 375 V N 4.662 124.657 119.914 0.135 0.000 2.444 375 V HA 0.616 4.736 4.120 0.000 0.000 0.294 375 V C -0.367 175.862 176.094 0.225 0.000 1.022 375 V CA -0.681 61.740 62.300 0.202 0.000 0.850 375 V CB 1.675 33.676 31.823 0.297 0.000 0.992 375 V HN 0.691 nan 8.190 nan 0.000 0.426 376 R N 4.578 125.193 120.500 0.192 0.000 2.561 376 R HA 0.818 5.158 4.340 0.000 0.000 0.297 376 R C -0.875 175.544 176.300 0.198 0.000 0.969 376 R CA -0.516 55.691 56.100 0.179 0.000 0.879 376 R CB 2.424 32.781 30.300 0.095 0.000 1.178 376 R HN 0.754 nan 8.270 nan 0.000 0.445 377 M N 0.917 120.661 119.600 0.241 0.000 2.569 377 M HA 0.415 4.895 4.480 0.000 0.000 0.279 377 M C -1.614 174.792 176.300 0.178 0.000 1.253 377 M CA -0.407 55.014 55.300 0.202 0.000 0.867 377 M CB 3.055 35.788 32.600 0.221 0.000 1.727 377 M HN 0.494 nan 8.290 nan 0.000 0.467 378 T N 3.726 118.352 114.554 0.121 0.000 2.879 378 T HA 0.706 5.056 4.350 0.000 0.000 0.290 378 T C -1.409 173.350 174.700 0.099 0.000 0.993 378 T CA -0.417 61.751 62.100 0.113 0.000 0.975 378 T CB 0.867 69.782 68.868 0.079 0.000 0.981 378 T HN 0.517 nan 8.240 nan 0.000 0.439 379 I N 3.310 123.978 120.570 0.165 0.000 2.498 379 I HA 0.497 4.667 4.170 0.000 0.000 0.290 379 I C -0.349 175.916 176.117 0.247 0.000 1.032 379 I CA -0.720 60.673 61.300 0.155 0.000 1.073 379 I CB 2.554 40.642 38.000 0.146 0.000 1.251 379 I HN 0.483 nan 8.210 nan 0.000 0.426 380 T N 4.790 119.427 114.554 0.138 0.000 2.937 380 T HA 0.324 4.674 4.350 0.000 0.000 0.297 380 T C -0.319 174.383 174.700 0.004 0.000 0.991 380 T CA -0.648 61.548 62.100 0.161 0.000 0.990 380 T CB 1.707 70.638 68.868 0.106 0.000 0.991 380 T HN 0.525 nan 8.240 nan 0.000 0.440 381 R N 1.786 122.242 120.500 -0.074 0.000 2.623 381 R HA 0.473 4.813 4.340 0.000 0.000 0.271 381 R C 0.053 176.259 176.300 -0.156 0.000 1.043 381 R CA 0.081 55.995 56.100 -0.310 0.000 1.083 381 R CB -0.109 30.095 30.300 -0.161 0.000 0.974 381 R HN 0.951 nan 8.270 nan 0.000 0.436 382 C N 0.225 119.395 119.300 -0.216 0.000 3.266 382 C HA 0.650 5.110 4.460 0.000 0.000 0.369 382 C C -0.228 174.695 174.990 -0.111 0.000 1.580 382 C CA -0.644 58.304 59.018 -0.118 0.000 1.165 382 C CB 1.027 28.712 27.740 -0.092 0.000 1.835 382 C HN 0.911 nan 8.230 nan 0.000 0.433 383 S N 0.447 116.106 115.700 -0.070 0.000 2.690 383 S HA 0.749 5.219 4.470 0.000 0.000 0.291 383 S C -1.877 172.691 174.600 -0.054 0.000 1.138 383 S CA -0.687 57.484 58.200 -0.048 0.000 1.013 383 S CB 1.196 64.382 63.200 -0.024 0.000 1.053 383 S HN 0.826 nan 8.310 nan 0.000 0.539 384 P HA 0.075 nan 4.420 nan 0.000 0.242 384 P C 0.561 177.836 177.300 -0.041 0.000 1.197 384 P CA 0.534 63.612 63.100 -0.037 0.000 0.765 384 P CB 0.042 31.729 31.700 -0.021 0.000 0.936 385 E N 0.012 120.189 120.200 -0.039 0.000 2.274 385 E HA -0.057 4.293 4.350 0.000 0.000 0.194 385 E C 1.470 178.038 176.600 -0.053 0.000 0.996 385 E CA 1.283 57.662 56.400 -0.035 0.000 0.840 385 E CB -1.041 28.645 29.700 -0.024 0.000 0.772 385 E HN 0.414 nan 8.360 nan 0.000 0.491 386 T N -1.818 112.688 114.554 -0.081 0.000 3.163 386 T HA 0.520 4.870 4.350 0.000 0.000 0.252 386 T C 0.779 175.353 174.700 -0.210 0.000 1.056 386 T CA 0.026 62.050 62.100 -0.126 0.000 0.947 386 T CB 0.111 68.902 68.868 -0.129 0.000 1.016 386 T HN 0.077 nan 8.240 nan 0.000 0.554 387 A N 1.175 123.906 122.820 -0.150 0.000 2.483 387 A HA 0.476 4.796 4.320 0.000 0.000 0.238 387 A C -0.299 177.210 177.584 -0.125 0.000 1.070 387 A CA -0.361 51.585 52.037 -0.153 0.000 0.770 387 A CB -0.187 18.783 19.000 -0.050 0.000 1.008 387 A HN 0.480 nan 8.150 nan 0.000 0.497 388 Y N 0.388 120.701 120.300 0.021 0.000 2.379 388 Y HA 0.365 4.915 4.550 0.000 0.000 0.337 388 Y C 0.683 176.592 175.900 0.015 0.000 1.238 388 Y CA 0.187 58.300 58.100 0.021 0.000 1.405 388 Y CB 0.402 38.883 38.460 0.034 0.000 1.310 388 Y HN 0.470 nan 8.280 nan 0.000 0.569 389 L N 2.320 123.664 121.223 0.201 0.000 2.360 389 L HA 0.663 5.003 4.340 0.000 0.000 0.271 389 L C 0.499 177.418 176.870 0.082 0.000 1.057 389 L CA -1.024 53.879 54.840 0.105 0.000 0.803 389 L CB 1.020 43.124 42.059 0.075 0.000 1.207 389 L HN 0.748 nan 8.230 nan 0.000 0.445 390 A N 0.000 122.851 122.820 0.052 0.000 2.254 390 A HA 0.000 4.320 4.320 0.000 0.000 0.244 390 A CA 0.000 52.057 52.037 0.034 0.000 0.836 390 A CB 0.000 19.015 19.000 0.024 0.000 0.831 390 A HN 0.000 nan 8.150 nan 0.000 0.486