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 2zj0_1_B DATA FIRST_RESID 11 DATA SEQUENCE LTPDVRNGID FKIADLSLAD FGRKELRIAE HEMPGLMSLR REYAEVQPLK DATA SEQUENCE GARISGSLHM TVQTAVLIET LTALGAEVRW ASCNIFSTQD HAAAAVVVGP DATA SEQUENCE HGTPDEPKGV PVFAWKGETL EEYWWAAEQM LTWPDPDKPA NMILDDGGDA DATA SEQUENCE TMLVLRGMQY EKAGVVPPAE EDDPAEWKVF LNLLRTRFET DKDKWTKIAE DATA SEQUENCE SVKGVTEETT TGVLRLYQFA AAGDLAFPAI NVNDSVTKSK FDNKYGTRHS DATA SEQUENCE LIDGINRGTD ALIGGKKVLI CGYGDVGKGC AEAMKGQGAR VSVTEIDPIN DATA SEQUENCE ALQAMMEGFD VVTVEEAIGD ADIVVTATGN KDIIMLEHIK AMKDHAILGN DATA SEQUENCE IGHFDNEIDM AGLERSGATR VNVKPQVDLW TFGDTGRSII VLSEGRLLNL DATA SEQUENCE GNATGHPSFV MSNSFANQTI AQIELWTKND EYDNEVYRLP KHLDEKVARI DATA SEQUENCE HVEALGGHLT KLTKEQAEYL GVDVEGPYKP DHYRY 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 11 L HA 0.000 nan 4.340 nan 0.000 0.249 11 L C 0.000 176.634 176.870 -0.394 0.000 1.165 11 L CA 0.000 54.519 54.840 -0.535 0.000 0.813 11 L CB 0.000 41.453 42.059 -1.009 0.000 0.961 12 T N 0.246 114.703 114.554 -0.161 0.000 2.916 12 T HA 0.705 5.054 4.350 -0.000 0.000 0.305 12 T C -2.937 171.913 174.700 0.251 0.000 1.119 12 T CA -2.091 60.118 62.100 0.182 0.000 1.008 12 T CB 2.217 71.132 68.868 0.078 0.000 1.129 12 T HN 0.125 nan 8.240 nan 0.000 0.480 13 P HA 0.233 nan 4.420 nan 0.000 0.267 13 P C -0.714 176.563 177.300 -0.038 0.000 1.200 13 P CA -0.082 63.179 63.100 0.268 0.000 0.772 13 P CB 0.315 32.186 31.700 0.285 0.000 0.855 14 D N 1.004 121.208 120.400 -0.326 0.000 2.210 14 D HA 0.290 4.929 4.640 -0.000 0.000 0.249 14 D C -0.390 175.638 176.300 -0.454 0.000 1.078 14 D CA -0.080 53.629 54.000 -0.485 0.000 0.875 14 D CB 1.123 41.446 40.800 -0.796 0.000 1.175 14 D HN -0.034 nan 8.370 nan 0.000 0.440 15 V N 2.966 122.794 119.914 -0.144 0.000 2.604 15 V HA 0.546 4.666 4.120 -0.000 0.000 0.305 15 V C 0.039 176.197 176.094 0.107 0.000 1.043 15 V CA -0.808 61.507 62.300 0.025 0.000 0.888 15 V CB 1.973 33.813 31.823 0.028 0.000 0.995 15 V HN 0.395 nan 8.190 nan 0.000 0.429 16 R N 3.698 124.321 120.500 0.206 0.000 2.549 16 R HA 0.349 4.688 4.340 -0.000 0.000 0.291 16 R C -0.276 176.086 176.300 0.103 0.000 1.164 16 R CA -0.719 55.479 56.100 0.164 0.000 0.973 16 R CB 1.158 31.598 30.300 0.234 0.000 1.210 16 R HN 0.845 nan 8.270 nan 0.000 0.422 17 N N 1.217 119.953 118.700 0.061 0.000 2.754 17 N HA -0.219 4.521 4.740 -0.000 0.000 0.248 17 N C 0.663 176.196 175.510 0.037 0.000 1.093 17 N CA 1.956 55.028 53.050 0.037 0.000 0.699 17 N CB -0.930 37.569 38.487 0.020 0.000 1.016 17 N HN 1.105 nan 8.380 nan 0.000 0.552 18 G N -1.640 107.188 108.800 0.047 0.000 2.195 18 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.246 18 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.246 18 G C 0.161 175.091 174.900 0.050 0.000 0.984 18 G CA 0.286 45.411 45.100 0.041 0.000 0.633 18 G HN 0.532 nan 8.290 nan 0.000 0.525 19 I N 3.015 123.627 120.570 0.070 0.000 2.312 19 I HA 0.324 4.494 4.170 -0.000 0.000 0.290 19 I C -0.203 176.020 176.117 0.176 0.000 1.008 19 I CA -1.009 60.344 61.300 0.088 0.000 1.226 19 I CB 1.075 39.102 38.000 0.044 0.000 1.371 19 I HN 0.185 nan 8.210 nan 0.000 0.468 20 D N 7.389 127.861 120.400 0.120 0.000 2.304 20 D HA 0.528 5.168 4.640 -0.000 0.000 0.247 20 D C -0.449 175.839 176.300 -0.020 0.000 1.089 20 D CA -0.086 53.973 54.000 0.099 0.000 0.910 20 D CB 1.296 42.205 40.800 0.181 0.000 1.199 20 D HN 0.414 nan 8.370 nan 0.000 0.426 21 F N -2.349 117.366 119.950 -0.391 0.000 2.842 21 F HA 0.607 5.134 4.527 -0.000 0.000 0.319 21 F C -1.817 173.763 175.800 -0.365 0.000 1.159 21 F CA -1.343 56.165 58.000 -0.820 0.000 0.902 21 F CB 1.495 40.229 39.000 -0.444 0.000 1.311 21 F HN 0.382 nan 8.300 nan 0.000 0.453 22 K N 2.901 123.184 120.400 -0.194 0.000 2.588 22 K HA 0.782 5.102 4.320 -0.000 0.000 0.250 22 K C -1.834 174.933 176.600 0.277 0.000 0.972 22 K CA -0.414 55.909 56.287 0.061 0.000 0.821 22 K CB 1.867 34.608 32.500 0.402 0.000 1.249 22 K HN 1.016 nan 8.250 nan 0.000 0.442 23 I N 0.178 120.860 120.570 0.187 0.000 3.263 23 I HA 0.671 4.841 4.170 -0.000 0.000 0.314 23 I C 0.444 176.600 176.117 0.066 0.000 1.269 23 I CA -1.075 60.378 61.300 0.255 0.000 0.942 23 I CB 1.672 39.837 38.000 0.274 0.000 1.305 23 I HN 0.558 nan 8.210 nan 0.000 0.474 24 A N 1.050 123.956 122.820 0.143 0.000 1.841 24 A HA -0.071 4.249 4.320 -0.000 0.000 0.216 24 A C 0.617 178.229 177.584 0.048 0.000 1.199 24 A CA 2.434 54.512 52.037 0.068 0.000 0.621 24 A CB -0.479 18.627 19.000 0.176 0.000 0.835 24 A HN 0.901 nan 8.150 nan 0.000 0.445 25 D N -2.642 117.811 120.400 0.088 0.000 2.591 25 D HA 0.281 4.921 4.640 -0.000 0.000 0.222 25 D C 0.129 176.469 176.300 0.068 0.000 1.360 25 D CA -0.596 53.449 54.000 0.074 0.000 0.967 25 D CB 0.827 41.671 40.800 0.073 0.000 1.456 25 D HN -0.065 nan 8.370 nan 0.000 0.588 26 L N 3.192 124.449 121.223 0.056 0.000 2.187 26 L HA -0.100 4.240 4.340 -0.000 0.000 0.213 26 L C 2.157 179.026 176.870 -0.001 0.000 1.100 26 L CA 2.253 57.088 54.840 -0.009 0.000 0.765 26 L CB -0.747 41.304 42.059 -0.013 0.000 0.904 26 L HN 0.569 nan 8.230 nan 0.000 0.437 27 S N -2.027 113.691 115.700 0.030 0.000 2.603 27 S HA -0.039 4.431 4.470 -0.000 0.000 0.229 27 S C 1.511 176.151 174.600 0.066 0.000 0.972 27 S CA 0.300 58.522 58.200 0.037 0.000 0.935 27 S CB -0.604 62.618 63.200 0.038 0.000 0.769 27 S HN 0.466 nan 8.310 nan 0.000 0.536 28 L N 0.709 121.985 121.223 0.089 0.000 2.627 28 L HA 0.364 4.704 4.340 -0.000 0.000 0.232 28 L C 2.386 179.330 176.870 0.124 0.000 1.150 28 L CA 0.302 55.238 54.840 0.160 0.000 0.917 28 L CB -0.415 41.771 42.059 0.211 0.000 1.104 28 L HN 0.414 nan 8.230 nan 0.000 0.445 29 A N -0.221 122.629 122.820 0.050 0.000 2.014 29 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 29 A C 1.803 179.400 177.584 0.022 0.000 1.163 29 A CA 1.393 53.428 52.037 -0.003 0.000 0.652 29 A CB -0.137 18.835 19.000 -0.047 0.000 0.808 29 A HN 0.296 nan 8.150 nan 0.000 0.449 30 D N -1.098 119.347 120.400 0.073 0.000 2.120 30 D HA -0.052 4.588 4.640 -0.000 0.000 0.202 30 D C 1.572 177.975 176.300 0.172 0.000 0.972 30 D CA 0.821 54.875 54.000 0.090 0.000 0.837 30 D CB -0.480 40.370 40.800 0.083 0.000 0.989 30 D HN 0.347 nan 8.370 nan 0.000 0.469 31 F N 2.084 122.066 119.950 0.052 0.000 2.065 31 F HA -0.146 4.381 4.527 -0.000 0.000 0.298 31 F C 2.196 178.103 175.800 0.178 0.000 1.112 31 F CA 2.002 60.056 58.000 0.090 0.000 1.212 31 F CB -0.887 38.154 39.000 0.068 0.000 0.975 31 F HN -0.016 nan 8.300 nan 0.000 0.476 32 G N -0.076 108.707 108.800 -0.028 0.000 2.446 32 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.217 32 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.217 32 G C 1.805 176.629 174.900 -0.127 0.000 1.168 32 G CA 1.017 45.997 45.100 -0.200 0.000 0.771 32 G HN 0.305 nan 8.290 nan 0.000 0.551 33 R N 0.909 121.376 120.500 -0.053 0.000 2.083 33 R HA -0.002 4.337 4.340 -0.000 0.000 0.237 33 R C 2.516 178.811 176.300 -0.007 0.000 1.137 33 R CA 1.688 57.761 56.100 -0.045 0.000 0.951 33 R CB -0.672 29.608 30.300 -0.033 0.000 0.851 33 R HN 0.384 nan 8.270 nan 0.000 0.434 34 K N 0.057 120.486 120.400 0.049 0.000 2.074 34 K HA -0.166 4.154 4.320 -0.000 0.000 0.209 34 K C 1.981 178.624 176.600 0.071 0.000 1.048 34 K CA 1.935 58.272 56.287 0.082 0.000 0.926 34 K CB -0.086 32.510 32.500 0.160 0.000 0.713 34 K HN 0.358 nan 8.250 nan 0.000 0.444 35 E N 0.186 120.413 120.200 0.046 0.000 2.230 35 E HA -0.092 4.258 4.350 -0.000 0.000 0.192 35 E C 1.969 178.571 176.600 0.004 0.000 0.987 35 E CA 0.368 56.791 56.400 0.039 0.000 0.841 35 E CB 0.100 29.809 29.700 0.016 0.000 0.783 35 E HN 0.099 nan 8.360 nan 0.000 0.481 36 L N 1.134 122.331 121.223 -0.044 0.000 2.046 36 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 36 L C 2.348 179.215 176.870 -0.005 0.000 1.077 36 L CA 1.639 56.448 54.840 -0.053 0.000 0.747 36 L CB -0.283 41.717 42.059 -0.097 0.000 0.896 36 L HN -0.014 nan 8.230 nan 0.000 0.432 37 R N -0.882 119.629 120.500 0.018 0.000 2.115 37 R HA -0.071 4.269 4.340 -0.000 0.000 0.230 37 R C 2.277 178.676 176.300 0.165 0.000 1.111 37 R CA 1.195 57.335 56.100 0.067 0.000 0.976 37 R CB -0.393 29.947 30.300 0.067 0.000 0.870 37 R HN 0.352 nan 8.270 nan 0.000 0.445 38 I N 0.577 121.222 120.570 0.125 0.000 2.252 38 I HA -0.227 3.943 4.170 -0.000 0.000 0.245 38 I C 2.564 178.779 176.117 0.163 0.000 1.102 38 I CA 1.109 62.492 61.300 0.138 0.000 1.385 38 I CB -0.330 37.721 38.000 0.084 0.000 1.064 38 I HN 0.155 nan 8.210 nan 0.000 0.414 39 A N 0.536 123.418 122.820 0.104 0.000 1.933 39 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 39 A C 2.135 179.767 177.584 0.080 0.000 1.175 39 A CA 1.632 53.719 52.037 0.084 0.000 0.628 39 A CB -0.591 18.434 19.000 0.042 0.000 0.814 39 A HN 0.478 nan 8.150 nan 0.000 0.444 40 E N -0.983 119.248 120.200 0.052 0.000 2.204 40 E HA -0.213 4.137 4.350 -0.000 0.000 0.195 40 E C 1.493 178.049 176.600 -0.072 0.000 0.990 40 E CA 1.300 57.683 56.400 -0.029 0.000 0.821 40 E CB -0.301 29.347 29.700 -0.088 0.000 0.750 40 E HN 0.842 nan 8.360 nan 0.000 0.477 41 H N -0.003 119.091 119.070 0.040 0.000 2.559 41 H HA 0.047 4.602 4.556 -0.000 0.000 0.273 41 H C 1.097 176.488 175.328 0.106 0.000 1.000 41 H CA 0.663 56.745 56.048 0.056 0.000 1.195 41 H CB 0.400 30.190 29.762 0.047 0.000 1.368 41 H HN 0.005 nan 8.280 nan 0.000 0.592 42 E N -0.269 120.060 120.200 0.215 0.000 2.630 42 E HA 0.175 4.525 4.350 -0.000 0.000 0.218 42 E C -0.200 176.519 176.600 0.199 0.000 0.977 42 E CA 0.139 56.723 56.400 0.307 0.000 1.038 42 E CB 0.761 30.609 29.700 0.246 0.000 1.051 42 E HN 0.451 nan 8.360 nan 0.000 0.487 43 M N 1.478 121.112 119.600 0.056 0.000 3.053 43 M HA 0.209 4.689 4.480 -0.000 0.000 0.293 43 M C -2.073 174.175 176.300 -0.086 0.000 1.470 43 M CA -1.303 53.975 55.300 -0.037 0.000 0.582 43 M CB 1.549 34.153 32.600 0.007 0.000 1.435 43 M HN -0.252 nan 8.290 nan 0.000 0.451 44 P HA -0.089 nan 4.420 nan 0.000 0.222 44 P C 1.417 178.556 177.300 -0.268 0.000 1.147 44 P CA 1.452 64.424 63.100 -0.214 0.000 0.790 44 P CB 0.145 31.690 31.700 -0.259 0.000 0.780 45 G N 0.471 109.076 108.800 -0.325 0.000 2.402 45 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.216 45 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.216 45 G C 1.651 176.532 174.900 -0.032 0.000 1.162 45 G CA 0.412 45.420 45.100 -0.153 0.000 0.777 45 G HN 0.229 nan 8.290 nan 0.000 0.539 46 L N -0.106 121.112 121.223 -0.008 0.000 2.095 46 L HA 0.023 4.363 4.340 -0.000 0.000 0.204 46 L C 3.009 179.870 176.870 -0.015 0.000 1.080 46 L CA 0.442 55.289 54.840 0.012 0.000 0.759 46 L CB -0.288 41.788 42.059 0.029 0.000 0.914 46 L HN 0.104 nan 8.230 nan 0.000 0.439 47 M N -0.547 119.026 119.600 -0.046 0.000 2.202 47 M HA -0.193 4.287 4.480 -0.000 0.000 0.262 47 M C 2.579 178.852 176.300 -0.046 0.000 1.063 47 M CA 1.707 56.973 55.300 -0.056 0.000 1.097 47 M CB -1.383 31.165 32.600 -0.087 0.000 1.382 47 M HN 0.279 nan 8.290 nan 0.000 0.413 48 S N -0.045 115.623 115.700 -0.052 0.000 2.414 48 S HA 0.001 4.471 4.470 -0.000 0.000 0.227 48 S C 1.914 176.507 174.600 -0.012 0.000 1.022 48 S CA 0.512 58.684 58.200 -0.047 0.000 0.958 48 S CB -0.015 63.140 63.200 -0.075 0.000 0.797 48 S HN 0.476 nan 8.310 nan 0.000 0.493 49 L N 0.612 121.856 121.223 0.035 0.000 2.179 49 L HA 0.165 4.505 4.340 -0.000 0.000 0.208 49 L C 2.908 179.869 176.870 0.151 0.000 1.096 49 L CA 0.659 55.582 54.840 0.137 0.000 0.779 49 L CB -0.369 41.795 42.059 0.175 0.000 0.922 49 L HN 0.206 nan 8.230 nan 0.000 0.443 50 R N 0.140 120.681 120.500 0.068 0.000 2.083 50 R HA -0.158 4.182 4.340 -0.000 0.000 0.237 50 R C 2.465 178.787 176.300 0.037 0.000 1.137 50 R CA 1.634 57.763 56.100 0.048 0.000 0.951 50 R CB -0.255 30.048 30.300 0.005 0.000 0.851 50 R HN 0.323 nan 8.270 nan 0.000 0.434 51 R N 0.016 120.517 120.500 0.002 0.000 2.092 51 R HA -0.132 4.208 4.340 -0.000 0.000 0.231 51 R C 2.208 178.477 176.300 -0.052 0.000 1.119 51 R CA 1.231 57.317 56.100 -0.022 0.000 0.970 51 R CB -0.175 30.104 30.300 -0.035 0.000 0.864 51 R HN 0.376 nan 8.270 nan 0.000 0.440 52 E N -0.199 119.944 120.200 -0.095 0.000 2.107 52 E HA -0.143 4.207 4.350 -0.000 0.000 0.191 52 E C 0.453 176.852 176.600 -0.335 0.000 0.982 52 E CA 0.954 57.193 56.400 -0.269 0.000 0.809 52 E CB 0.252 29.698 29.700 -0.424 0.000 0.756 52 E HN 0.319 nan 8.360 nan 0.000 0.459 53 Y N -1.083 119.220 120.300 0.006 0.000 2.584 53 Y HA 0.381 4.931 4.550 -0.000 0.000 0.254 53 Y C 1.373 177.279 175.900 0.009 0.000 1.177 53 Y CA 0.077 58.185 58.100 0.012 0.000 1.216 53 Y CB 0.472 38.941 38.460 0.016 0.000 1.172 53 Y HN 0.100 nan 8.280 nan 0.000 0.529 54 A N 0.100 122.983 122.820 0.105 0.000 1.877 54 A HA -0.224 4.096 4.320 -0.000 0.000 0.216 54 A C 2.092 179.712 177.584 0.061 0.000 1.186 54 A CA 2.123 54.200 52.037 0.067 0.000 0.620 54 A CB -0.329 18.690 19.000 0.031 0.000 0.822 54 A HN 0.388 nan 8.150 nan 0.000 0.443 55 E N -0.183 120.046 120.200 0.048 0.000 2.038 55 E HA -0.139 4.211 4.350 -0.000 0.000 0.195 55 E C 1.820 178.461 176.600 0.069 0.000 1.000 55 E CA 1.773 58.199 56.400 0.044 0.000 0.803 55 E CB -0.344 29.370 29.700 0.024 0.000 0.750 55 E HN 0.241 nan 8.360 nan 0.000 0.448 56 V N 0.713 120.692 119.914 0.107 0.000 2.490 56 V HA -0.205 3.915 4.120 -0.000 0.000 0.250 56 V C 0.374 176.541 176.094 0.123 0.000 1.061 56 V CA 1.209 63.591 62.300 0.137 0.000 1.064 56 V CB -0.679 31.294 31.823 0.250 0.000 0.670 56 V HN 0.424 nan 8.190 nan 0.000 0.461 57 Q N -0.976 118.894 119.800 0.117 0.000 2.423 57 Q HA -0.206 4.134 4.340 -0.000 0.000 0.368 57 Q C -1.329 174.725 176.000 0.089 0.000 1.371 57 Q CA 1.045 56.898 55.803 0.084 0.000 1.106 57 Q CB -1.301 27.473 28.738 0.061 0.000 1.263 57 Q HN 0.502 nan 8.270 nan 0.000 0.325 58 P HA -0.120 nan 4.420 nan 0.000 0.223 58 P C 0.971 178.353 177.300 0.137 0.000 1.151 58 P CA 0.945 64.083 63.100 0.064 0.000 0.787 58 P CB 0.251 31.870 31.700 -0.135 0.000 0.788 59 L N -1.246 119.985 121.223 0.013 0.000 2.818 59 L HA 0.234 4.574 4.340 -0.000 0.000 0.243 59 L C 1.105 177.848 176.870 -0.213 0.000 1.185 59 L CA -0.432 54.308 54.840 -0.167 0.000 0.988 59 L CB -0.152 41.753 42.059 -0.257 0.000 1.292 59 L HN -0.138 nan 8.230 nan 0.000 0.519 60 K N 0.891 121.297 120.400 0.010 0.000 2.511 60 K HA 0.119 4.439 4.320 -0.000 0.000 0.280 60 K C 1.220 177.879 176.600 0.099 0.000 1.008 60 K CA 1.105 57.412 56.287 0.034 0.000 1.050 60 K CB 0.432 32.983 32.500 0.085 0.000 0.889 60 K HN 0.302 nan 8.250 nan 0.000 0.484 61 G N 1.795 110.588 108.800 -0.012 0.000 2.225 61 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.254 61 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.254 61 G C 0.108 174.821 174.900 -0.311 0.000 0.988 61 G CA 0.125 45.244 45.100 0.032 0.000 0.625 61 G HN 0.873 nan 8.290 nan 0.000 0.527 62 A N 0.414 122.734 122.820 -0.832 0.000 2.450 62 A HA 0.691 5.011 4.320 -0.000 0.000 0.255 62 A C 0.675 177.867 177.584 -0.654 0.000 1.096 62 A CA 0.257 51.565 52.037 -1.215 0.000 0.778 62 A CB 0.196 18.388 19.000 -1.348 0.000 1.031 62 A HN 0.506 nan 8.150 nan 0.000 0.494 63 R N 2.696 122.771 120.500 -0.709 0.000 2.352 63 R HA 0.382 4.721 4.340 -0.000 0.000 0.304 63 R C -1.284 174.675 176.300 -0.569 0.000 1.104 63 R CA -0.112 55.420 56.100 -0.946 0.000 0.991 63 R CB 1.064 30.296 30.300 -1.780 0.000 1.140 63 R HN 0.702 nan 8.270 nan 0.000 0.540 64 I N 1.615 122.165 120.570 -0.034 0.000 2.304 64 I HA 0.185 4.355 4.170 -0.000 0.000 0.291 64 I C 0.183 176.491 176.117 0.318 0.000 1.018 64 I CA -0.315 61.026 61.300 0.069 0.000 1.260 64 I CB 1.757 39.784 38.000 0.045 0.000 1.390 64 I HN 0.356 nan 8.210 nan 0.000 0.475 65 S N 4.520 120.331 115.700 0.186 0.000 2.452 65 S HA 0.504 4.973 4.470 -0.000 0.000 0.284 65 S C 0.329 174.761 174.600 -0.281 0.000 1.171 65 S CA -0.588 57.655 58.200 0.073 0.000 1.064 65 S CB 1.187 64.478 63.200 0.151 0.000 0.967 65 S HN 0.818 nan 8.310 nan 0.000 0.484 66 G N 1.427 109.790 108.800 -0.728 0.000 2.422 66 G HA2 0.463 4.423 3.960 -0.000 0.000 0.317 66 G HA3 0.463 4.423 3.960 -0.000 0.000 0.317 66 G C -0.610 173.389 174.900 -1.501 0.000 1.210 66 G CA -0.442 43.690 45.100 -1.613 0.000 0.930 66 G HN 0.562 nan 8.290 nan 0.000 0.468 67 S N 2.117 117.323 115.700 -0.823 0.000 2.475 67 S HA 0.586 5.055 4.470 -0.000 0.000 0.249 67 S C -0.863 173.525 174.600 -0.353 0.000 1.298 67 S CA -0.546 57.339 58.200 -0.524 0.000 1.125 67 S CB -0.047 62.978 63.200 -0.291 0.000 1.054 67 S HN 0.609 nan 8.310 nan 0.000 0.484 68 L N 4.774 125.844 121.223 -0.255 0.000 2.505 68 L HA 0.453 4.793 4.340 -0.000 0.000 0.259 68 L C -0.798 176.200 176.870 0.214 0.000 0.952 68 L CA -0.358 54.500 54.840 0.029 0.000 0.840 68 L CB 1.599 43.826 42.059 0.280 0.000 1.358 68 L HN 0.581 nan 8.230 nan 0.000 0.409 69 H N 4.559 123.758 119.070 0.214 0.000 3.237 69 H HA -0.038 4.518 4.556 -0.000 0.000 0.270 69 H C 0.252 175.697 175.328 0.195 0.000 0.900 69 H CA 0.224 56.382 56.048 0.183 0.000 1.415 69 H CB 0.332 30.180 29.762 0.145 0.000 1.484 69 H HN 0.556 nan 8.280 nan 0.000 0.540 70 M N 4.698 124.464 119.600 0.276 0.000 3.268 70 M HA 0.002 4.481 4.480 -0.000 0.000 0.249 70 M C -0.034 176.322 176.300 0.095 0.000 1.527 70 M CA -0.207 55.199 55.300 0.176 0.000 1.645 70 M CB -0.968 31.741 32.600 0.182 0.000 1.193 70 M HN 0.606 nan 8.290 nan 0.000 0.534 71 T N -0.868 113.734 114.554 0.080 0.000 2.949 71 T HA 0.511 4.861 4.350 -0.000 0.000 0.287 71 T C 1.158 175.827 174.700 -0.051 0.000 1.034 71 T CA -0.969 61.148 62.100 0.029 0.000 1.018 71 T CB 1.025 69.949 68.868 0.094 0.000 1.135 71 T HN 0.141 nan 8.240 nan 0.000 0.532 72 V N 1.517 121.374 119.914 -0.096 0.000 2.278 72 V HA -0.251 3.869 4.120 -0.000 0.000 0.251 72 V C 2.868 178.940 176.094 -0.036 0.000 1.062 72 V CA 2.229 64.458 62.300 -0.119 0.000 1.038 72 V CB -1.174 30.595 31.823 -0.090 0.000 0.646 72 V HN 0.863 nan 8.190 nan 0.000 0.447 73 Q N -0.496 119.340 119.800 0.058 0.000 2.170 73 Q HA -0.137 4.202 4.340 -0.000 0.000 0.203 73 Q C 2.279 178.415 176.000 0.226 0.000 0.976 73 Q CA 2.067 57.971 55.803 0.169 0.000 0.858 73 Q CB -0.655 28.211 28.738 0.213 0.000 0.907 73 Q HN 0.642 nan 8.270 nan 0.000 0.433 74 T N 0.212 114.829 114.554 0.105 0.000 2.851 74 T HA -0.027 4.323 4.350 -0.000 0.000 0.262 74 T C 1.880 176.345 174.700 -0.393 0.000 1.043 74 T CA 0.925 62.893 62.100 -0.221 0.000 1.140 74 T CB -0.387 68.374 68.868 -0.178 0.000 0.872 74 T HN 0.402 nan 8.240 nan 0.000 0.446 75 A N 0.996 123.638 122.820 -0.297 0.000 1.997 75 A HA -0.128 4.192 4.320 -0.000 0.000 0.221 75 A C 2.471 179.894 177.584 -0.269 0.000 1.172 75 A CA 1.651 53.498 52.037 -0.316 0.000 0.645 75 A CB -0.985 17.869 19.000 -0.243 0.000 0.813 75 A HN 0.394 nan 8.150 nan 0.000 0.454 76 V N -0.698 119.107 119.914 -0.181 0.000 2.535 76 V HA -0.124 3.996 4.120 -0.000 0.000 0.246 76 V C 2.393 178.392 176.094 -0.157 0.000 1.045 76 V CA 1.481 63.705 62.300 -0.127 0.000 1.058 76 V CB -0.547 31.252 31.823 -0.041 0.000 0.689 76 V HN 0.641 nan 8.190 nan 0.000 0.461 77 L N 0.379 121.468 121.223 -0.223 0.000 1.989 77 L HA -0.155 4.185 4.340 -0.000 0.000 0.211 77 L C 2.219 178.870 176.870 -0.365 0.000 1.071 77 L CA 2.058 56.706 54.840 -0.321 0.000 0.749 77 L CB -0.534 41.109 42.059 -0.694 0.000 0.890 77 L HN 0.196 nan 8.230 nan 0.000 0.431 78 I N -0.192 120.056 120.570 -0.538 0.000 2.194 78 I HA -0.320 3.850 4.170 -0.000 0.000 0.246 78 I C 2.325 178.251 176.117 -0.319 0.000 1.093 78 I CA 1.843 62.798 61.300 -0.575 0.000 1.355 78 I CB -0.339 37.184 38.000 -0.795 0.000 1.046 78 I HN 0.427 nan 8.210 nan 0.000 0.413 79 E N -0.458 119.583 120.200 -0.265 0.000 2.435 79 E HA -0.089 4.261 4.350 -0.000 0.000 0.195 79 E C 1.932 178.455 176.600 -0.128 0.000 1.029 79 E CA 0.745 57.038 56.400 -0.178 0.000 0.865 79 E CB 0.137 29.736 29.700 -0.168 0.000 0.833 79 E HN 0.483 nan 8.360 nan 0.000 0.510 80 T N 1.331 115.807 114.554 -0.130 0.000 2.732 80 T HA -0.062 4.287 4.350 -0.000 0.000 0.261 80 T C 1.949 176.604 174.700 -0.075 0.000 1.040 80 T CA 0.649 62.700 62.100 -0.082 0.000 1.145 80 T CB -0.100 68.727 68.868 -0.068 0.000 0.866 80 T HN 0.109 nan 8.240 nan 0.000 0.427 81 L N 1.481 122.642 121.223 -0.103 0.000 2.079 81 L HA -0.137 4.203 4.340 -0.000 0.000 0.210 81 L C 3.013 179.836 176.870 -0.078 0.000 1.081 81 L CA 1.717 56.503 54.840 -0.090 0.000 0.752 81 L CB -1.408 40.600 42.059 -0.085 0.000 0.896 81 L HN 0.460 nan 8.230 nan 0.000 0.433 82 T N -2.801 111.706 114.554 -0.079 0.000 2.904 82 T HA 0.007 4.357 4.350 -0.000 0.000 0.267 82 T C 1.896 176.572 174.700 -0.039 0.000 1.059 82 T CA 0.703 62.770 62.100 -0.056 0.000 1.137 82 T CB -0.250 68.582 68.868 -0.059 0.000 0.879 82 T HN 0.295 nan 8.240 nan 0.000 0.467 83 A N 1.137 123.934 122.820 -0.040 0.000 2.172 83 A HA 0.328 4.648 4.320 -0.000 0.000 0.216 83 A C 2.090 179.674 177.584 0.001 0.000 1.154 83 A CA 0.687 52.715 52.037 -0.016 0.000 0.701 83 A CB -0.649 18.341 19.000 -0.016 0.000 0.789 83 A HN 0.602 nan 8.150 nan 0.000 0.465 84 L N -2.171 119.043 121.223 -0.014 0.000 2.693 84 L HA 0.326 4.665 4.340 -0.000 0.000 0.235 84 L C 1.402 178.258 176.870 -0.023 0.000 1.127 84 L CA 0.506 55.343 54.840 -0.004 0.000 0.914 84 L CB 0.243 42.286 42.059 -0.026 0.000 1.193 84 L HN 0.499 nan 8.230 nan 0.000 0.502 85 G N 0.372 109.151 108.800 -0.034 0.000 2.168 85 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.197 85 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.197 85 G C 0.312 175.167 174.900 -0.076 0.000 0.997 85 G CA -0.114 44.965 45.100 -0.034 0.000 0.658 85 G HN 0.407 nan 8.290 nan 0.000 0.513 86 A N -0.083 122.671 122.820 -0.109 0.000 2.322 86 A HA 0.717 5.037 4.320 -0.000 0.000 0.269 86 A C 0.319 177.877 177.584 -0.043 0.000 1.094 86 A CA 0.094 52.042 52.037 -0.149 0.000 0.807 86 A CB 0.515 19.405 19.000 -0.184 0.000 1.047 86 A HN 0.432 nan 8.150 nan 0.000 0.487 87 E N -0.574 119.630 120.200 0.007 0.000 2.277 87 E HA 0.485 4.835 4.350 -0.000 0.000 0.274 87 E C -0.444 176.375 176.600 0.365 0.000 1.022 87 E CA -0.495 56.027 56.400 0.204 0.000 0.853 87 E CB 1.772 31.693 29.700 0.368 0.000 1.086 87 E HN 0.658 nan 8.360 nan 0.000 0.397 88 V N -0.049 120.057 119.914 0.321 0.000 3.040 88 V HA 0.710 4.830 4.120 -0.000 0.000 0.312 88 V C -0.995 175.136 176.094 0.062 0.000 1.115 88 V CA -0.935 61.566 62.300 0.335 0.000 0.998 88 V CB 2.086 34.094 31.823 0.307 0.000 1.042 88 V HN 0.617 nan 8.190 nan 0.000 0.433 89 R N 2.847 123.387 120.500 0.067 0.000 2.538 89 R HA 0.482 4.822 4.340 -0.000 0.000 0.292 89 R C -1.721 174.649 176.300 0.116 0.000 1.008 89 R CA -0.413 55.631 56.100 -0.094 0.000 0.896 89 R CB 2.171 32.136 30.300 -0.559 0.000 1.187 89 R HN 0.882 nan 8.270 nan 0.000 0.440 90 W N 1.833 123.130 121.300 -0.004 0.000 2.761 90 W HA 0.736 5.395 4.660 -0.000 0.000 0.340 90 W C -1.244 175.309 176.519 0.056 0.000 1.072 90 W CA -0.435 56.909 57.345 -0.002 0.000 1.215 90 W CB 2.302 31.736 29.460 -0.043 0.000 1.420 90 W HN 0.646 nan 8.180 nan 0.000 0.519 91 A N 2.274 124.976 122.820 -0.197 0.000 2.549 91 A HA 0.463 4.783 4.320 -0.000 0.000 0.297 91 A C -0.911 176.599 177.584 -0.122 0.000 1.061 91 A CA -0.495 51.489 52.037 -0.088 0.000 0.690 91 A CB 1.707 20.557 19.000 -0.249 0.000 1.287 91 A HN 0.368 nan 8.150 nan 0.000 0.402 92 S N -0.228 115.448 115.700 -0.040 0.000 2.562 92 S HA 0.189 4.659 4.470 -0.000 0.000 0.281 92 S C 1.218 175.732 174.600 -0.144 0.000 1.333 92 S CA 0.097 58.282 58.200 -0.025 0.000 1.052 92 S CB -0.125 63.097 63.200 0.037 0.000 0.884 92 S HN 1.685 nan 8.310 nan 0.000 0.506 93 C N 4.052 123.273 119.300 -0.132 0.000 2.578 93 C HA 0.456 4.916 4.460 -0.000 0.000 0.285 93 C C 0.566 175.644 174.990 0.147 0.000 1.297 93 C CA -0.964 58.029 59.018 -0.041 0.000 1.690 93 C CB -2.086 25.532 27.740 -0.202 0.000 1.773 93 C HN 0.772 nan 8.230 nan 0.000 0.594 94 N N 0.741 119.570 118.700 0.215 0.000 2.308 94 N HA 0.298 5.038 4.740 -0.000 0.000 0.283 94 N C 0.604 176.164 175.510 0.083 0.000 1.105 94 N CA -0.420 52.735 53.050 0.176 0.000 0.840 94 N CB 1.632 40.315 38.487 0.327 0.000 1.633 94 N HN 0.356 nan 8.380 nan 0.000 0.476 95 I N -0.550 119.921 120.570 -0.165 0.000 2.756 95 I HA -0.004 4.166 4.170 -0.000 0.000 0.262 95 I C 0.119 176.005 176.117 -0.384 0.000 1.225 95 I CA 1.151 62.241 61.300 -0.350 0.000 1.472 95 I CB -0.240 37.406 38.000 -0.590 0.000 1.094 95 I HN 0.238 nan 8.210 nan 0.000 0.454 96 F N 1.118 121.111 119.950 0.072 0.000 2.682 96 F HA 0.218 4.746 4.527 0.000 0.000 0.308 96 F C 2.517 178.373 175.800 0.092 0.000 1.093 96 F CA 0.070 58.115 58.000 0.075 0.000 1.244 96 F CB -0.444 38.598 39.000 0.070 0.000 1.052 96 F HN 0.148 nan 8.300 nan 0.000 0.573 97 S N -1.551 114.303 115.700 0.256 0.000 2.496 97 S HA 0.008 4.478 4.470 -0.000 0.000 0.224 97 S C 1.006 175.723 174.600 0.195 0.000 0.996 97 S CA 0.171 58.501 58.200 0.217 0.000 0.927 97 S CB -0.879 62.515 63.200 0.324 0.000 0.774 97 S HN 0.097 nan 8.310 nan 0.000 0.524 98 T N 3.250 117.919 114.554 0.192 0.000 2.902 98 T HA 0.141 4.491 4.350 -0.000 0.000 0.301 98 T C -0.327 174.478 174.700 0.175 0.000 1.012 98 T CA 0.297 62.501 62.100 0.173 0.000 1.151 98 T CB 0.563 69.531 68.868 0.167 0.000 0.946 98 T HN 0.444 nan 8.240 nan 0.000 0.542 99 Q N 2.671 122.553 119.800 0.136 0.000 2.430 99 Q HA 0.167 4.507 4.340 -0.000 0.000 0.245 99 Q C 0.296 176.366 176.000 0.116 0.000 1.021 99 Q CA -0.663 55.231 55.803 0.152 0.000 0.867 99 Q CB 1.066 29.852 28.738 0.079 0.000 1.210 99 Q HN 0.550 nan 8.270 nan 0.000 0.487 100 D N 1.278 121.814 120.400 0.227 0.000 2.144 100 D HA -0.191 4.449 4.640 -0.000 0.000 0.200 100 D C 1.771 178.154 176.300 0.137 0.000 0.978 100 D CA 1.244 55.360 54.000 0.195 0.000 0.833 100 D CB 0.106 41.047 40.800 0.235 0.000 0.961 100 D HN 0.671 nan 8.370 nan 0.000 0.470 101 H N 0.702 119.772 119.070 0.001 0.000 2.422 101 H HA 0.017 4.573 4.556 -0.000 0.000 0.298 101 H C 1.703 176.947 175.328 -0.141 0.000 1.098 101 H CA 1.586 57.578 56.048 -0.093 0.000 1.315 101 H CB -0.550 29.021 29.762 -0.318 0.000 1.382 101 H HN 0.084 nan 8.280 nan 0.000 0.523 102 A N 1.515 123.949 122.820 -0.642 0.000 1.970 102 A HA 0.278 4.598 4.320 -0.000 0.000 0.216 102 A C 2.783 180.225 177.584 -0.237 0.000 1.170 102 A CA 1.298 53.051 52.037 -0.473 0.000 0.645 102 A CB -0.767 17.941 19.000 -0.486 0.000 0.816 102 A HN 0.605 nan 8.150 nan 0.000 0.447 103 A N 0.361 123.101 122.820 -0.134 0.000 1.883 103 A HA 0.099 4.418 4.320 -0.000 0.000 0.217 103 A C 2.518 180.042 177.584 -0.100 0.000 1.186 103 A CA 2.257 54.258 52.037 -0.059 0.000 0.624 103 A CB -1.125 17.911 19.000 0.061 0.000 0.822 103 A HN 1.015 nan 8.150 nan 0.000 0.444 104 A N -0.139 122.630 122.820 -0.084 0.000 1.865 104 A HA 0.109 4.429 4.320 -0.000 0.000 0.217 104 A C 2.575 180.068 177.584 -0.153 0.000 1.191 104 A CA 2.524 54.495 52.037 -0.109 0.000 0.623 104 A CB -1.293 17.685 19.000 -0.036 0.000 0.826 104 A HN 1.223 nan 8.150 nan 0.000 0.444 105 A N -0.572 122.157 122.820 -0.151 0.000 1.903 105 A HA -0.129 4.191 4.320 -0.000 0.000 0.219 105 A C 2.253 179.729 177.584 -0.179 0.000 1.191 105 A CA 2.275 54.216 52.037 -0.160 0.000 0.638 105 A CB -1.167 17.724 19.000 -0.182 0.000 0.823 105 A HN 0.530 nan 8.150 nan 0.000 0.451 106 V N -0.564 119.230 119.914 -0.200 0.000 2.427 106 V HA -0.210 3.910 4.120 -0.000 0.000 0.248 106 V C 2.529 178.498 176.094 -0.208 0.000 1.051 106 V CA 1.869 64.042 62.300 -0.212 0.000 1.048 106 V CB -0.756 30.921 31.823 -0.242 0.000 0.666 106 V HN 0.380 nan 8.190 nan 0.000 0.456 107 V N -0.349 119.420 119.914 -0.242 0.000 2.427 107 V HA -0.180 3.940 4.120 -0.000 0.000 0.248 107 V C 2.375 178.302 176.094 -0.279 0.000 1.051 107 V CA 1.713 63.822 62.300 -0.319 0.000 1.048 107 V CB -0.248 31.242 31.823 -0.556 0.000 0.666 107 V HN 0.415 nan 8.190 nan 0.000 0.456 108 V N -0.448 119.325 119.914 -0.235 0.000 2.379 108 V HA 0.271 4.391 4.120 -0.000 0.000 0.245 108 V C 1.227 177.242 176.094 -0.132 0.000 1.044 108 V CA 1.276 63.471 62.300 -0.175 0.000 1.036 108 V CB -1.060 30.678 31.823 -0.142 0.000 0.664 108 V HN 0.790 nan 8.190 nan 0.000 0.453 109 G N 0.024 108.738 108.800 -0.143 0.000 2.707 109 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.686 109 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.686 109 G C -1.841 172.966 174.900 -0.155 0.000 1.315 109 G CA -0.162 44.858 45.100 -0.132 0.000 0.832 109 G HN 0.182 nan 8.290 nan 0.000 0.573 110 P HA 0.002 nan 4.420 nan 0.000 0.225 110 P C 0.788 177.810 177.300 -0.464 0.000 1.156 110 P CA 1.441 64.322 63.100 -0.365 0.000 0.787 110 P CB 0.069 31.482 31.700 -0.477 0.000 0.802 111 H N -1.527 117.519 119.070 -0.039 0.000 2.672 111 H HA 0.372 4.928 4.556 -0.000 0.000 0.277 111 H C 1.216 176.525 175.328 -0.031 0.000 1.074 111 H CA 0.035 56.065 56.048 -0.029 0.000 1.173 111 H CB 0.457 30.205 29.762 -0.024 0.000 1.558 111 H HN 0.084 nan 8.280 nan 0.000 0.539 112 G N 0.687 109.503 108.800 0.027 0.000 2.531 112 G HA2 0.424 4.384 3.960 -0.000 0.000 0.313 112 G HA3 0.424 4.384 3.960 -0.000 0.000 0.313 112 G C 0.117 175.008 174.900 -0.015 0.000 1.238 112 G CA -0.153 44.947 45.100 -0.000 0.000 0.994 112 G HN 0.230 nan 8.290 nan 0.000 0.493 113 T N -3.060 111.481 114.554 -0.022 0.000 2.888 113 T HA 0.597 4.947 4.350 -0.000 0.000 0.288 113 T C -2.170 172.505 174.700 -0.041 0.000 1.063 113 T CA -1.507 60.580 62.100 -0.022 0.000 1.010 113 T CB 2.241 71.105 68.868 -0.006 0.000 1.214 113 T HN 0.141 nan 8.240 nan 0.000 0.533 114 P HA 0.046 nan 4.420 nan 0.000 0.219 114 P C 0.681 177.963 177.300 -0.029 0.000 1.150 114 P CA 0.883 63.953 63.100 -0.049 0.000 0.814 114 P CB -0.015 31.668 31.700 -0.029 0.000 0.787 115 D N -0.684 119.709 120.400 -0.012 0.000 2.149 115 D HA -0.095 4.545 4.640 -0.000 0.000 0.201 115 D C 0.754 177.052 176.300 -0.002 0.000 0.972 115 D CA 1.216 55.216 54.000 0.000 0.000 0.835 115 D CB -0.260 40.543 40.800 0.005 0.000 0.966 115 D HN 0.190 nan 8.370 nan 0.000 0.476 116 E N 0.804 120.998 120.200 -0.010 0.000 2.751 116 E HA 0.216 4.566 4.350 -0.000 0.000 0.219 116 E C -2.620 173.963 176.600 -0.029 0.000 1.060 116 E CA -2.489 53.905 56.400 -0.011 0.000 0.893 116 E CB 1.024 30.722 29.700 -0.003 0.000 1.300 116 E HN -0.036 nan 8.360 nan 0.000 0.433 117 P HA 0.183 nan 4.420 nan 0.000 0.279 117 P C -0.491 176.770 177.300 -0.066 0.000 1.239 117 P CA -0.256 62.790 63.100 -0.089 0.000 0.789 117 P CB 1.211 32.810 31.700 -0.168 0.000 0.933 118 K N 1.295 121.653 120.400 -0.069 0.000 2.564 118 K HA 0.260 4.579 4.320 -0.000 0.000 0.201 118 K C 1.019 177.584 176.600 -0.059 0.000 1.086 118 K CA -0.216 56.046 56.287 -0.043 0.000 1.062 118 K CB 1.176 33.670 32.500 -0.010 0.000 0.849 118 K HN 0.548 nan 8.250 nan 0.000 0.529 119 G N 1.153 109.895 108.800 -0.098 0.000 3.411 119 G HA2 0.407 4.367 3.960 -0.000 0.000 0.186 119 G HA3 0.407 4.367 3.960 -0.000 0.000 0.186 119 G C -0.050 174.792 174.900 -0.097 0.000 1.766 119 G CA 0.059 45.093 45.100 -0.111 0.000 0.971 119 G HN 0.037 nan 8.290 nan 0.000 0.590 120 V N -3.166 116.676 119.914 -0.120 0.000 3.078 120 V HA 0.686 4.806 4.120 -0.000 0.000 0.311 120 V C -2.850 173.177 176.094 -0.111 0.000 1.138 120 V CA -2.542 59.702 62.300 -0.093 0.000 1.007 120 V CB 1.902 33.683 31.823 -0.069 0.000 1.045 120 V HN 0.471 nan 8.190 nan 0.000 0.432 121 P HA 0.211 nan 4.420 nan 0.000 0.262 121 P C -0.677 176.560 177.300 -0.106 0.000 1.199 121 P CA 0.362 63.377 63.100 -0.142 0.000 0.763 121 P CB 0.809 32.492 31.700 -0.029 0.000 0.790 122 V N 5.494 125.253 119.914 -0.258 0.000 2.483 122 V HA 0.368 4.488 4.120 -0.000 0.000 0.297 122 V C -0.342 175.593 176.094 -0.265 0.000 1.027 122 V CA -0.368 61.890 62.300 -0.070 0.000 0.855 122 V CB 1.287 33.109 31.823 -0.001 0.000 0.995 122 V HN 0.281 nan 8.190 nan 0.000 0.424 123 F N 3.712 123.762 119.950 0.167 0.000 2.359 123 F HA 0.833 5.360 4.527 -0.000 0.000 0.369 123 F C 0.392 176.330 175.800 0.230 0.000 1.084 123 F CA -0.392 57.747 58.000 0.230 0.000 1.096 123 F CB 1.579 40.608 39.000 0.049 0.000 1.335 123 F HN 0.598 nan 8.300 nan 0.000 0.457 124 A N 3.430 126.544 122.820 0.490 0.000 2.565 124 A HA 0.710 5.030 4.320 -0.000 0.000 0.298 124 A C -1.997 175.914 177.584 0.546 0.000 1.062 124 A CA -0.814 51.408 52.037 0.309 0.000 0.723 124 A CB 0.588 19.709 19.000 0.201 0.000 1.282 124 A HN 0.828 nan 8.150 nan 0.000 0.400 125 W N 1.267 122.663 121.300 0.159 0.000 3.137 125 W HA 0.716 5.375 4.660 -0.000 0.000 0.324 125 W C -0.801 175.823 176.519 0.176 0.000 1.253 125 W CA -0.874 56.565 57.345 0.156 0.000 1.183 125 W CB 1.148 30.696 29.460 0.147 0.000 1.424 125 W HN 0.730 nan 8.180 nan 0.000 0.566 126 K N 1.856 122.448 120.400 0.320 0.000 2.349 126 K HA 0.448 4.768 4.320 -0.000 0.000 0.288 126 K C 0.782 177.580 176.600 0.330 0.000 1.058 126 K CA 0.895 57.344 56.287 0.270 0.000 0.953 126 K CB 0.117 32.781 32.500 0.273 0.000 0.997 126 K HN 1.368 nan 8.250 nan 0.000 0.477 127 G N 3.155 112.159 108.800 0.339 0.000 2.167 127 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.194 127 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.194 127 G C -0.332 174.695 174.900 0.211 0.000 1.027 127 G CA -0.233 45.120 45.100 0.421 0.000 0.717 127 G HN 0.710 nan 8.290 nan 0.000 0.501 128 E N 0.718 120.804 120.200 -0.190 0.000 2.442 128 E HA 0.405 4.755 4.350 -0.000 0.000 0.260 128 E C 1.324 177.915 176.600 -0.016 0.000 1.148 128 E CA 0.843 57.064 56.400 -0.298 0.000 0.976 128 E CB 0.440 29.775 29.700 -0.607 0.000 0.967 128 E HN 0.493 nan 8.360 nan 0.000 0.454 129 T N -1.215 113.393 114.554 0.090 0.000 2.927 129 T HA 0.251 4.601 4.350 -0.000 0.000 0.281 129 T C 1.328 176.090 174.700 0.104 0.000 0.998 129 T CA -0.821 61.343 62.100 0.107 0.000 1.019 129 T CB 0.669 69.629 68.868 0.154 0.000 1.061 129 T HN 0.391 nan 8.240 nan 0.000 0.518 130 L N 0.290 121.582 121.223 0.115 0.000 2.013 130 L HA -0.172 4.168 4.340 -0.000 0.000 0.212 130 L C 2.841 179.924 176.870 0.356 0.000 1.073 130 L CA 1.770 56.724 54.840 0.191 0.000 0.753 130 L CB -0.588 41.577 42.059 0.176 0.000 0.890 130 L HN 0.758 nan 8.230 nan 0.000 0.432 131 E N -0.058 120.310 120.200 0.281 0.000 2.077 131 E HA -0.220 4.130 4.350 -0.000 0.000 0.193 131 E C 2.066 178.875 176.600 0.348 0.000 0.989 131 E CA 1.190 57.770 56.400 0.300 0.000 0.800 131 E CB -0.100 29.716 29.700 0.194 0.000 0.746 131 E HN 0.457 nan 8.360 nan 0.000 0.452 132 E N -0.606 119.765 120.200 0.285 0.000 2.150 132 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 132 E C 1.706 178.468 176.600 0.270 0.000 0.985 132 E CA 0.710 57.307 56.400 0.329 0.000 0.814 132 E CB -0.147 29.758 29.700 0.342 0.000 0.752 132 E HN 0.348 nan 8.360 nan 0.000 0.466 133 Y N -0.571 119.733 120.300 0.007 0.000 2.163 133 Y HA -0.245 4.305 4.550 -0.000 0.000 0.288 133 Y C 1.563 177.326 175.900 -0.228 0.000 1.136 133 Y CA 1.586 59.557 58.100 -0.214 0.000 1.147 133 Y CB -0.184 38.072 38.460 -0.341 0.000 0.987 133 Y HN 0.050 nan 8.280 nan 0.000 0.509 134 W N -1.036 120.459 121.300 0.325 0.000 2.418 134 W HA -0.110 4.550 4.660 -0.000 0.000 0.292 134 W C 2.260 178.859 176.519 0.132 0.000 1.213 134 W CA 1.078 58.562 57.345 0.232 0.000 1.283 134 W CB -0.977 28.634 29.460 0.252 0.000 1.119 134 W HN 0.308 nan 8.180 nan 0.000 0.542 135 W N 1.333 122.759 121.300 0.210 0.000 2.332 135 W HA -0.301 4.358 4.660 -0.000 0.000 0.321 135 W C 2.444 178.965 176.519 0.003 0.000 1.219 135 W CA 3.360 60.776 57.345 0.118 0.000 1.277 135 W CB -0.889 28.656 29.460 0.141 0.000 1.161 135 W HN -0.131 nan 8.180 nan 0.000 0.476 136 A N 0.968 123.867 122.820 0.132 0.000 1.903 136 A HA -0.247 4.073 4.320 -0.000 0.000 0.219 136 A C 2.111 179.433 177.584 -0.437 0.000 1.191 136 A CA 3.305 55.232 52.037 -0.184 0.000 0.638 136 A CB -1.738 17.258 19.000 -0.006 0.000 0.823 136 A HN 0.609 nan 8.150 nan 0.000 0.451 137 A N -0.731 121.837 122.820 -0.419 0.000 1.877 137 A HA -0.192 4.128 4.320 -0.000 0.000 0.216 137 A C 2.041 179.497 177.584 -0.214 0.000 1.186 137 A CA 1.945 53.759 52.037 -0.372 0.000 0.620 137 A CB -0.608 18.130 19.000 -0.436 0.000 0.822 137 A HN 0.704 nan 8.150 nan 0.000 0.443 138 E N -0.742 119.378 120.200 -0.133 0.000 2.085 138 E HA -0.259 4.091 4.350 -0.000 0.000 0.194 138 E C 2.149 178.542 176.600 -0.345 0.000 0.994 138 E CA 1.359 57.722 56.400 -0.062 0.000 0.801 138 E CB -0.115 29.590 29.700 0.010 0.000 0.743 138 E HN 0.546 nan 8.360 nan 0.000 0.453 139 Q N 0.201 119.555 119.800 -0.742 0.000 2.045 139 Q HA -0.232 4.107 4.340 -0.000 0.000 0.206 139 Q C 2.159 177.630 176.000 -0.881 0.000 0.991 139 Q CA 1.621 56.758 55.803 -1.110 0.000 0.851 139 Q CB -0.610 26.863 28.738 -2.107 0.000 0.911 139 Q HN 0.444 nan 8.270 nan 0.000 0.418 140 M N -0.040 119.154 119.600 -0.677 0.000 2.213 140 M HA -0.125 4.355 4.480 -0.000 0.000 0.263 140 M C 1.640 177.803 176.300 -0.228 0.000 1.062 140 M CA 1.405 56.487 55.300 -0.363 0.000 1.105 140 M CB -0.301 32.140 32.600 -0.265 0.000 1.385 140 M HN 0.195 nan 8.290 nan 0.000 0.417 141 L N -0.095 121.052 121.223 -0.127 0.000 2.529 141 L HA 0.045 4.385 4.340 -0.000 0.000 0.223 141 L C 0.072 176.999 176.870 0.096 0.000 1.113 141 L CA 0.180 55.069 54.840 0.082 0.000 0.861 141 L CB 0.083 42.282 42.059 0.233 0.000 1.012 141 L HN 0.119 nan 8.230 nan 0.000 0.461 142 T N -0.425 114.072 114.554 -0.096 0.000 2.853 142 T HA 0.188 4.538 4.350 -0.000 0.000 0.317 142 T C -0.738 173.916 174.700 -0.077 0.000 1.059 142 T CA -0.460 61.578 62.100 -0.103 0.000 0.954 142 T CB 0.064 68.800 68.868 -0.220 0.000 0.994 142 T HN 0.005 nan 8.240 nan 0.000 0.479 143 W N 3.997 125.220 121.300 -0.129 0.000 2.184 143 W HA 0.288 4.948 4.660 -0.000 0.000 0.338 143 W C -1.003 175.470 176.519 -0.076 0.000 1.257 143 W CA -1.804 55.492 57.345 -0.083 0.000 1.243 143 W CB 0.132 29.551 29.460 -0.069 0.000 1.122 143 W HN 0.420 nan 8.180 nan 0.000 0.585 144 P HA -0.208 nan 4.420 nan 0.000 0.215 144 P C 0.178 177.514 177.300 0.061 0.000 1.157 144 P CA 1.601 64.738 63.100 0.062 0.000 0.874 144 P CB 0.129 31.867 31.700 0.064 0.000 0.790 145 D N 0.144 120.600 120.400 0.094 0.000 2.339 145 D HA 0.075 4.715 4.640 -0.000 0.000 0.241 145 D C -1.274 175.041 176.300 0.025 0.000 1.183 145 D CA -2.561 51.469 54.000 0.049 0.000 0.859 145 D CB 0.946 41.776 40.800 0.049 0.000 1.067 145 D HN -0.017 nan 8.370 nan 0.000 0.484 146 P HA -0.162 nan 4.420 nan 0.000 0.217 146 P C 0.357 177.637 177.300 -0.032 0.000 1.148 146 P CA 1.016 64.097 63.100 -0.031 0.000 0.834 146 P CB 0.490 32.167 31.700 -0.037 0.000 0.783 147 D N -0.496 119.891 120.400 -0.022 0.000 2.347 147 D HA 0.006 4.646 4.640 -0.000 0.000 0.213 147 D C 0.759 177.037 176.300 -0.036 0.000 0.985 147 D CA 0.782 54.767 54.000 -0.026 0.000 0.879 147 D CB 0.047 40.837 40.800 -0.018 0.000 0.919 147 D HN 0.310 nan 8.370 nan 0.000 0.526 148 K N 1.460 121.839 120.400 -0.036 0.000 2.961 148 K HA 0.271 4.591 4.320 -0.000 0.000 0.187 148 K C -2.628 173.898 176.600 -0.124 0.000 1.110 148 K CA -1.468 54.774 56.287 -0.075 0.000 0.968 148 K CB 1.810 34.278 32.500 -0.053 0.000 1.287 148 K HN 0.011 nan 8.250 nan 0.000 0.578 149 P HA -0.027 nan 4.420 nan 0.000 0.273 149 P C -0.147 176.920 177.300 -0.389 0.000 1.250 149 P CA -0.335 62.675 63.100 -0.151 0.000 0.793 149 P CB 0.496 32.131 31.700 -0.107 0.000 1.011 150 A N 1.725 124.292 122.820 -0.422 0.000 2.587 150 A HA -0.015 4.305 4.320 -0.000 0.000 0.233 150 A C 0.870 178.219 177.584 -0.392 0.000 1.049 150 A CA 0.650 52.338 52.037 -0.581 0.000 0.754 150 A CB -0.801 18.124 19.000 -0.125 0.000 0.977 150 A HN 0.765 nan 8.150 nan 0.000 0.509 151 N N -0.011 118.441 118.700 -0.415 0.000 2.143 151 N HA 0.214 4.954 4.740 -0.000 0.000 0.222 151 N C -0.489 174.912 175.510 -0.182 0.000 1.264 151 N CA -0.062 52.848 53.050 -0.233 0.000 0.897 151 N CB 0.517 38.932 38.487 -0.119 0.000 1.092 151 N HN 0.422 nan 8.380 nan 0.000 0.516 152 M N 0.855 120.309 119.600 -0.242 0.000 2.484 152 M HA 0.477 4.957 4.480 -0.000 0.000 0.289 152 M C -1.492 174.702 176.300 -0.176 0.000 1.206 152 M CA -0.495 54.692 55.300 -0.189 0.000 0.892 152 M CB 2.582 35.073 32.600 -0.181 0.000 1.712 152 M HN -0.054 nan 8.290 nan 0.000 0.462 153 I N 2.795 123.261 120.570 -0.173 0.000 2.465 153 I HA 0.496 4.666 4.170 -0.000 0.000 0.291 153 I C -0.937 175.118 176.117 -0.104 0.000 1.014 153 I CA -0.788 60.430 61.300 -0.137 0.000 1.093 153 I CB 2.445 40.367 38.000 -0.131 0.000 1.267 153 I HN 0.519 nan 8.210 nan 0.000 0.431 154 L N 6.008 127.149 121.223 -0.137 0.000 2.318 154 L HA 0.514 4.853 4.340 -0.000 0.000 0.277 154 L C -1.296 175.483 176.870 -0.151 0.000 1.008 154 L CA -0.221 54.557 54.840 -0.103 0.000 0.846 154 L CB 0.890 42.919 42.059 -0.050 0.000 1.220 154 L HN 0.530 nan 8.230 nan 0.000 0.423 155 D N 2.741 123.099 120.400 -0.070 0.000 2.342 155 D HA 0.341 4.981 4.640 -0.000 0.000 0.243 155 D C -1.487 174.787 176.300 -0.044 0.000 1.019 155 D CA -0.116 53.844 54.000 -0.067 0.000 0.864 155 D CB 2.473 43.270 40.800 -0.004 0.000 1.315 155 D HN 0.489 nan 8.370 nan 0.000 0.468 156 D N 0.733 121.090 120.400 -0.073 0.000 2.358 156 D HA 0.484 5.124 4.640 -0.000 0.000 0.253 156 D C 0.512 176.721 176.300 -0.152 0.000 1.288 156 D CA -0.213 53.718 54.000 -0.114 0.000 0.950 156 D CB 0.221 40.954 40.800 -0.112 0.000 1.197 156 D HN 0.507 nan 8.370 nan 0.000 0.550 157 G N 1.892 110.624 108.800 -0.112 0.000 2.229 157 G HA2 0.063 4.022 3.960 -0.000 0.000 0.189 157 G HA3 0.063 4.022 3.960 -0.000 0.000 0.189 157 G C 1.136 176.176 174.900 0.233 0.000 1.000 157 G CA 0.371 45.512 45.100 0.070 0.000 0.663 157 G HN 1.582 nan 8.290 nan 0.000 0.493 158 G N -0.121 108.775 108.800 0.160 0.000 2.155 158 G HA2 -0.310 3.649 3.960 -0.000 0.000 0.257 158 G HA3 -0.310 3.649 3.960 -0.000 0.000 0.257 158 G C 0.776 175.833 174.900 0.261 0.000 0.983 158 G CA 1.298 46.523 45.100 0.208 0.000 0.676 158 G HN 0.615 nan 8.290 nan 0.000 0.528 159 D N 0.285 120.845 120.400 0.266 0.000 2.117 159 D HA 0.128 4.768 4.640 -0.000 0.000 0.198 159 D C 2.692 179.176 176.300 0.307 0.000 0.982 159 D CA 1.631 55.829 54.000 0.330 0.000 0.828 159 D CB -0.506 40.454 40.800 0.267 0.000 0.967 159 D HN 0.645 nan 8.370 nan 0.000 0.464 160 A N 0.100 123.014 122.820 0.157 0.000 1.898 160 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 160 A C 2.353 180.027 177.584 0.149 0.000 1.181 160 A CA 2.051 54.157 52.037 0.116 0.000 0.620 160 A CB -0.925 18.075 19.000 0.001 0.000 0.819 160 A HN 0.201 nan 8.150 nan 0.000 0.442 161 T N -0.185 114.470 114.554 0.169 0.000 2.684 161 T HA -0.219 4.131 4.350 -0.000 0.000 0.267 161 T C 1.939 176.725 174.700 0.143 0.000 1.036 161 T CA 1.778 63.994 62.100 0.194 0.000 1.148 161 T CB -0.320 68.683 68.868 0.224 0.000 0.863 161 T HN 0.502 nan 8.240 nan 0.000 0.436 162 M N 0.314 120.071 119.600 0.262 0.000 2.213 162 M HA -0.066 4.414 4.480 -0.000 0.000 0.263 162 M C 2.075 178.505 176.300 0.217 0.000 1.062 162 M CA 1.383 56.872 55.300 0.314 0.000 1.105 162 M CB -0.157 32.625 32.600 0.303 0.000 1.385 162 M HN 0.209 nan 8.290 nan 0.000 0.417 163 L N -0.137 121.211 121.223 0.207 0.000 2.072 163 L HA -0.072 4.268 4.340 -0.000 0.000 0.205 163 L C 2.087 178.717 176.870 -0.399 0.000 1.079 163 L CA 1.395 56.239 54.840 0.007 0.000 0.752 163 L CB -0.715 41.398 42.059 0.090 0.000 0.906 163 L HN 0.124 nan 8.230 nan 0.000 0.436 164 V N -0.315 119.518 119.914 -0.135 0.000 2.261 164 V HA -0.298 3.822 4.120 -0.000 0.000 0.246 164 V C 2.526 178.589 176.094 -0.052 0.000 1.047 164 V CA 2.089 64.404 62.300 0.025 0.000 1.015 164 V CB -0.577 31.384 31.823 0.231 0.000 0.642 164 V HN 0.387 nan 8.190 nan 0.000 0.446 165 L N -0.813 120.332 121.223 -0.130 0.000 2.044 165 L HA -0.070 4.270 4.340 -0.000 0.000 0.205 165 L C 2.872 179.582 176.870 -0.266 0.000 1.075 165 L CA 1.205 55.878 54.840 -0.279 0.000 0.747 165 L CB -0.664 40.971 42.059 -0.707 0.000 0.903 165 L HN 0.216 nan 8.230 nan 0.000 0.435 166 R N 0.513 120.885 120.500 -0.213 0.000 2.092 166 R HA -0.062 4.278 4.340 -0.000 0.000 0.231 166 R C 2.268 178.177 176.300 -0.651 0.000 1.119 166 R CA 1.260 57.108 56.100 -0.421 0.000 0.970 166 R CB -1.304 28.890 30.300 -0.177 0.000 0.864 166 R HN 0.399 nan 8.270 nan 0.000 0.440 167 G N 1.252 109.782 108.800 -0.450 0.000 2.491 167 G HA2 -0.322 3.637 3.960 -0.000 0.000 0.218 167 G HA3 -0.322 3.637 3.960 -0.000 0.000 0.218 167 G C 1.532 176.391 174.900 -0.068 0.000 1.180 167 G CA 0.979 45.799 45.100 -0.468 0.000 0.774 167 G HN 0.304 nan 8.290 nan 0.000 0.562 168 M N 0.005 119.609 119.600 0.006 0.000 2.086 168 M HA -0.077 4.402 4.480 -0.000 0.000 0.261 168 M C 2.678 178.978 176.300 -0.000 0.000 1.067 168 M CA 2.165 57.519 55.300 0.091 0.000 1.116 168 M CB -0.262 32.383 32.600 0.075 0.000 1.348 168 M HN 0.413 nan 8.290 nan 0.000 0.407 169 Q N -0.409 119.307 119.800 -0.140 0.000 2.096 169 Q HA -0.249 4.091 4.340 -0.000 0.000 0.208 169 Q C 1.579 177.534 176.000 -0.075 0.000 0.993 169 Q CA 2.219 57.926 55.803 -0.161 0.000 0.862 169 Q CB -0.349 28.209 28.738 -0.299 0.000 0.915 169 Q HN 0.664 nan 8.270 nan 0.000 0.416 170 Y N 0.756 121.020 120.300 -0.059 0.000 2.439 170 Y HA -0.063 4.487 4.550 -0.000 0.000 0.292 170 Y C 1.905 177.665 175.900 -0.234 0.000 1.130 170 Y CA 0.992 58.992 58.100 -0.166 0.000 1.254 170 Y CB -0.141 38.179 38.460 -0.234 0.000 1.000 170 Y HN 0.284 nan 8.280 nan 0.000 0.554 171 E N 0.016 120.272 120.200 0.094 0.000 2.060 171 E HA -0.105 4.245 4.350 -0.000 0.000 0.189 171 E C 2.043 178.758 176.600 0.192 0.000 0.974 171 E CA 0.543 57.084 56.400 0.235 0.000 0.808 171 E CB 0.006 29.922 29.700 0.360 0.000 0.768 171 E HN 0.259 nan 8.360 nan 0.000 0.453 172 K N 0.814 121.289 120.400 0.124 0.000 2.160 172 K HA -0.153 4.167 4.320 -0.000 0.000 0.206 172 K C 2.019 178.662 176.600 0.071 0.000 1.047 172 K CA 1.229 57.569 56.287 0.089 0.000 0.930 172 K CB -0.260 32.276 32.500 0.059 0.000 0.720 172 K HN 0.080 nan 8.250 nan 0.000 0.450 173 A N 0.479 123.330 122.820 0.052 0.000 2.067 173 A HA 0.152 4.472 4.320 -0.000 0.000 0.217 173 A C 1.737 179.323 177.584 0.003 0.000 1.156 173 A CA 1.266 53.321 52.037 0.030 0.000 0.683 173 A CB -0.426 18.602 19.000 0.046 0.000 0.808 173 A HN 0.424 nan 8.150 nan 0.000 0.455 174 G N -2.034 106.767 108.800 0.002 0.000 2.168 174 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.263 174 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.263 174 G C 0.234 175.045 174.900 -0.149 0.000 0.977 174 G CA 0.758 45.914 45.100 0.093 0.000 0.659 174 G HN 1.646 nan 8.290 nan 0.000 0.533 175 V N -0.908 118.762 119.914 -0.407 0.000 3.120 175 V HA 0.660 4.779 4.120 -0.000 0.000 0.303 175 V C -0.734 175.050 176.094 -0.518 0.000 1.238 175 V CA -0.506 61.541 62.300 -0.421 0.000 1.008 175 V CB 2.427 34.149 31.823 -0.169 0.000 1.064 175 V HN 0.575 nan 8.190 nan 0.000 0.434 176 V N 7.284 126.873 119.914 -0.542 0.000 2.370 176 V HA 0.474 4.594 4.120 -0.000 0.000 0.283 176 V C -2.071 173.708 176.094 -0.524 0.000 1.023 176 V CA -1.601 60.277 62.300 -0.704 0.000 0.857 176 V CB 1.615 33.066 31.823 -0.620 0.000 0.985 176 V HN 0.883 nan 8.190 nan 0.000 0.443 177 P HA 0.112 nan 4.420 nan 0.000 0.263 177 P C -2.668 174.493 177.300 -0.232 0.000 1.175 177 P CA -0.800 62.130 63.100 -0.283 0.000 0.761 177 P CB -0.272 31.313 31.700 -0.192 0.000 0.794 178 P HA 0.150 nan 4.420 nan 0.000 0.271 178 P C -0.347 176.918 177.300 -0.058 0.000 1.216 178 P CA -0.006 63.034 63.100 -0.100 0.000 0.776 178 P CB 0.417 32.081 31.700 -0.060 0.000 0.881 179 A N 2.705 125.492 122.820 -0.055 0.000 2.401 179 A HA 0.247 4.566 4.320 -0.000 0.000 0.259 179 A C 0.584 178.198 177.584 0.051 0.000 1.103 179 A CA -0.534 51.519 52.037 0.026 0.000 0.789 179 A CB -0.125 18.869 19.000 -0.009 0.000 1.035 179 A HN 0.648 nan 8.150 nan 0.000 0.491 180 E N 1.869 122.124 120.200 0.091 0.000 2.383 180 E HA 0.038 4.388 4.350 -0.000 0.000 0.264 180 E C 0.090 176.719 176.600 0.048 0.000 1.050 180 E CA 0.224 56.656 56.400 0.054 0.000 0.896 180 E CB 0.512 30.238 29.700 0.043 0.000 0.982 180 E HN 0.760 nan 8.360 nan 0.000 0.424 181 E N 1.737 121.953 120.200 0.028 0.000 2.455 181 E HA -0.208 4.142 4.350 -0.000 0.000 0.202 181 E C 0.322 176.937 176.600 0.026 0.000 1.045 181 E CA 1.219 57.633 56.400 0.023 0.000 0.872 181 E CB -0.146 29.563 29.700 0.014 0.000 0.792 181 E HN 0.638 nan 8.360 nan 0.000 0.542 182 D N -0.064 120.352 120.400 0.027 0.000 2.620 182 D HA 0.079 4.718 4.640 -0.000 0.000 0.260 182 D C -0.571 175.743 176.300 0.024 0.000 1.367 182 D CA -0.491 53.521 54.000 0.019 0.000 0.805 182 D CB -0.121 40.682 40.800 0.005 0.000 1.096 182 D HN -0.167 nan 8.370 nan 0.000 0.488 183 D N 1.808 122.243 120.400 0.059 0.000 2.339 183 D HA 0.296 4.936 4.640 -0.000 0.000 0.245 183 D C -2.199 174.157 176.300 0.094 0.000 1.115 183 D CA -1.342 52.714 54.000 0.094 0.000 0.917 183 D CB 1.307 42.259 40.800 0.254 0.000 1.192 183 D HN 0.061 nan 8.370 nan 0.000 0.428 184 P HA 0.110 nan 4.420 nan 0.000 0.271 184 P C 0.098 177.464 177.300 0.109 0.000 1.218 184 P CA -0.228 62.912 63.100 0.065 0.000 0.780 184 P CB 0.705 32.416 31.700 0.017 0.000 0.901 185 A N 2.863 125.729 122.820 0.076 0.000 1.940 185 A HA -0.301 4.019 4.320 -0.000 0.000 0.221 185 A C 2.107 179.748 177.584 0.095 0.000 1.190 185 A CA 2.401 54.485 52.037 0.078 0.000 0.647 185 A CB -1.309 17.734 19.000 0.070 0.000 0.821 185 A HN 0.714 nan 8.150 nan 0.000 0.457 186 E N -1.673 118.593 120.200 0.109 0.000 2.152 186 E HA -0.175 4.175 4.350 -0.000 0.000 0.192 186 E C 1.899 178.579 176.600 0.133 0.000 0.983 186 E CA 0.769 57.253 56.400 0.140 0.000 0.818 186 E CB -0.356 29.422 29.700 0.129 0.000 0.758 186 E HN 0.796 nan 8.360 nan 0.000 0.467 187 W N 1.847 123.112 121.300 -0.058 0.000 2.381 187 W HA -0.159 4.501 4.660 -0.000 0.000 0.301 187 W C 1.492 178.001 176.519 -0.016 0.000 1.205 187 W CA 1.335 58.645 57.345 -0.057 0.000 1.285 187 W CB 0.088 29.505 29.460 -0.073 0.000 1.133 187 W HN 0.054 nan 8.180 nan 0.000 0.521 188 K N 0.079 120.476 120.400 -0.006 0.000 2.026 188 K HA -0.176 4.144 4.320 -0.000 0.000 0.208 188 K C 1.776 178.269 176.600 -0.180 0.000 1.048 188 K CA 1.734 57.952 56.287 -0.115 0.000 0.929 188 K CB -0.966 31.526 32.500 -0.012 0.000 0.713 188 K HN 0.034 nan 8.250 nan 0.000 0.439 189 V N 1.691 121.545 119.914 -0.100 0.000 2.282 189 V HA -0.274 3.846 4.120 -0.000 0.000 0.249 189 V C 2.117 178.025 176.094 -0.311 0.000 1.057 189 V CA 1.952 64.194 62.300 -0.096 0.000 1.032 189 V CB -0.594 31.270 31.823 0.069 0.000 0.645 189 V HN 0.216 nan 8.190 nan 0.000 0.447 190 F N 0.293 119.824 119.950 -0.697 0.000 2.046 190 F HA -0.210 4.317 4.527 -0.000 0.000 0.297 190 F C 2.184 177.516 175.800 -0.781 0.000 1.123 190 F CA 1.823 59.174 58.000 -1.083 0.000 1.199 190 F CB -0.459 37.826 39.000 -1.193 0.000 0.972 190 F HN -0.010 nan 8.300 nan 0.000 0.474 191 L N 0.356 121.071 121.223 -0.847 0.000 2.013 191 L HA -0.333 4.007 4.340 -0.000 0.000 0.212 191 L C 2.229 178.789 176.870 -0.516 0.000 1.073 191 L CA 1.817 56.203 54.840 -0.757 0.000 0.753 191 L CB -1.001 40.641 42.059 -0.695 0.000 0.890 191 L HN 0.252 nan 8.230 nan 0.000 0.432 192 N N 0.021 118.501 118.700 -0.368 0.000 2.223 192 N HA -0.189 4.551 4.740 -0.000 0.000 0.185 192 N C 1.735 177.142 175.510 -0.172 0.000 1.016 192 N CA 0.999 53.922 53.050 -0.212 0.000 0.863 192 N CB -0.320 38.091 38.487 -0.126 0.000 0.983 192 N HN 0.292 nan 8.380 nan 0.000 0.429 193 L N 0.515 121.595 121.223 -0.238 0.000 1.988 193 L HA -0.063 4.277 4.340 -0.000 0.000 0.207 193 L C 2.004 178.800 176.870 -0.123 0.000 1.071 193 L CA 1.064 55.822 54.840 -0.138 0.000 0.744 193 L CB -0.339 41.634 42.059 -0.143 0.000 0.893 193 L HN 0.069 nan 8.230 nan 0.000 0.433 194 L N -0.413 120.624 121.223 -0.311 0.000 1.990 194 L HA -0.291 4.048 4.340 -0.000 0.000 0.213 194 L C 2.873 179.725 176.870 -0.030 0.000 1.072 194 L CA 1.799 56.526 54.840 -0.188 0.000 0.755 194 L CB -0.640 41.175 42.059 -0.407 0.000 0.889 194 L HN 0.330 nan 8.230 nan 0.000 0.432 195 R N -0.330 120.089 120.500 -0.135 0.000 2.082 195 R HA -0.184 4.156 4.340 -0.000 0.000 0.234 195 R C 2.278 178.604 176.300 0.043 0.000 1.136 195 R CA 2.297 58.360 56.100 -0.062 0.000 0.935 195 R CB -0.439 29.774 30.300 -0.144 0.000 0.842 195 R HN 0.270 nan 8.270 nan 0.000 0.430 196 T N 0.360 114.921 114.554 0.012 0.000 2.721 196 T HA -0.222 4.128 4.350 -0.000 0.000 0.268 196 T C 1.722 176.466 174.700 0.074 0.000 1.038 196 T CA 1.875 63.999 62.100 0.040 0.000 1.145 196 T CB -0.280 68.608 68.868 0.033 0.000 0.858 196 T HN 0.222 nan 8.240 nan 0.000 0.459 197 R N 0.356 120.925 120.500 0.115 0.000 2.093 197 R HA 0.145 4.485 4.340 -0.000 0.000 0.224 197 R C 1.832 178.224 176.300 0.153 0.000 1.101 197 R CA 0.868 57.051 56.100 0.139 0.000 0.979 197 R CB -1.027 29.417 30.300 0.240 0.000 0.877 197 R HN 0.387 nan 8.270 nan 0.000 0.441 198 F N 1.676 121.662 119.950 0.060 0.000 2.333 198 F HA -0.071 4.456 4.527 -0.000 0.000 0.300 198 F C 1.426 177.236 175.800 0.017 0.000 1.083 198 F CA 1.467 59.497 58.000 0.049 0.000 1.395 198 F CB 0.102 39.127 39.000 0.041 0.000 1.056 198 F HN 0.180 nan 8.300 nan 0.000 0.529 199 E N -1.042 119.182 120.200 0.040 0.000 2.072 199 E HA -0.182 4.168 4.350 -0.000 0.000 0.191 199 E C 2.058 178.599 176.600 -0.099 0.000 0.985 199 E CA 1.816 58.196 56.400 -0.033 0.000 0.801 199 E CB -0.260 29.448 29.700 0.014 0.000 0.750 199 E HN 0.480 nan 8.360 nan 0.000 0.452 200 T N -2.534 111.971 114.554 -0.081 0.000 2.990 200 T HA 0.039 4.389 4.350 -0.000 0.000 0.250 200 T C 0.232 174.862 174.700 -0.118 0.000 1.041 200 T CA -0.155 61.893 62.100 -0.086 0.000 1.010 200 T CB 0.598 69.436 68.868 -0.050 0.000 1.003 200 T HN -0.156 nan 8.240 nan 0.000 0.499 201 D N 0.247 120.561 120.400 -0.143 0.000 2.616 201 D HA 0.323 4.963 4.640 -0.000 0.000 0.238 201 D C 0.242 176.434 176.300 -0.180 0.000 1.354 201 D CA -0.462 53.448 54.000 -0.150 0.000 0.970 201 D CB 1.857 42.571 40.800 -0.143 0.000 1.369 201 D HN -0.143 nan 8.370 nan 0.000 0.585 202 K N 1.414 121.678 120.400 -0.227 0.000 2.352 202 K HA 0.078 4.398 4.320 -0.000 0.000 0.194 202 K C 0.386 176.986 176.600 0.000 0.000 1.038 202 K CA 0.439 56.531 56.287 -0.324 0.000 1.023 202 K CB 0.841 33.098 32.500 -0.405 0.000 0.840 202 K HN 0.447 nan 8.250 nan 0.000 0.519 203 D N -0.279 120.117 120.400 -0.007 0.000 2.620 203 D HA 0.014 4.654 4.640 -0.000 0.000 0.260 203 D C 1.114 177.412 176.300 -0.004 0.000 1.367 203 D CA -0.237 53.792 54.000 0.048 0.000 0.805 203 D CB 0.233 41.049 40.800 0.026 0.000 1.096 203 D HN -0.079 nan 8.370 nan 0.000 0.488 204 K N 0.215 120.555 120.400 -0.100 0.000 2.057 204 K HA -0.129 4.191 4.320 -0.000 0.000 0.207 204 K C 0.913 177.337 176.600 -0.294 0.000 1.049 204 K CA 1.174 57.271 56.287 -0.316 0.000 0.931 204 K CB -0.096 32.027 32.500 -0.629 0.000 0.714 204 K HN 0.187 nan 8.250 nan 0.000 0.440 205 W N 0.518 121.845 121.300 0.045 0.000 2.576 205 W HA 0.003 4.663 4.660 -0.000 0.000 0.270 205 W C 2.187 178.731 176.519 0.041 0.000 1.255 205 W CA 0.570 57.940 57.345 0.041 0.000 1.314 205 W CB -0.023 29.463 29.460 0.044 0.000 1.101 205 W HN 0.063 nan 8.180 nan 0.000 0.595 206 T N 0.461 115.155 114.554 0.234 0.000 2.770 206 T HA -0.143 4.207 4.350 -0.000 0.000 0.263 206 T C 1.809 176.573 174.700 0.106 0.000 1.039 206 T CA 1.096 63.290 62.100 0.156 0.000 1.142 206 T CB -0.177 68.765 68.868 0.122 0.000 0.868 206 T HN 0.006 nan 8.240 nan 0.000 0.435 207 K N 1.038 121.474 120.400 0.060 0.000 2.032 207 K HA -0.036 4.283 4.320 -0.000 0.000 0.209 207 K C 2.259 178.871 176.600 0.020 0.000 1.048 207 K CA 1.208 57.506 56.287 0.019 0.000 0.927 207 K CB -0.625 31.860 32.500 -0.024 0.000 0.712 207 K HN 0.365 nan 8.250 nan 0.000 0.441 208 I N 1.284 121.871 120.570 0.027 0.000 2.208 208 I HA -0.288 3.882 4.170 -0.000 0.000 0.245 208 I C 2.600 178.750 176.117 0.056 0.000 1.097 208 I CA 1.219 62.537 61.300 0.031 0.000 1.363 208 I CB -0.442 37.610 38.000 0.087 0.000 1.051 208 I HN 0.135 nan 8.210 nan 0.000 0.413 209 A N 0.120 123.029 122.820 0.149 0.000 1.933 209 A HA -0.251 4.069 4.320 -0.000 0.000 0.218 209 A C 2.197 179.892 177.584 0.184 0.000 1.175 209 A CA 1.824 54.001 52.037 0.232 0.000 0.628 209 A CB -0.558 18.608 19.000 0.276 0.000 0.814 209 A HN 0.412 nan 8.150 nan 0.000 0.444 210 E N -0.788 119.477 120.200 0.109 0.000 2.110 210 E HA -0.121 4.229 4.350 -0.000 0.000 0.193 210 E C 2.229 178.852 176.600 0.038 0.000 0.988 210 E CA 1.188 57.633 56.400 0.076 0.000 0.804 210 E CB -0.090 29.639 29.700 0.048 0.000 0.745 210 E HN 0.560 nan 8.360 nan 0.000 0.458 211 S N -0.635 115.064 115.700 -0.002 0.000 2.414 211 S HA -0.005 4.464 4.470 -0.000 0.000 0.227 211 S C 0.571 175.120 174.600 -0.084 0.000 1.022 211 S CA 0.019 58.192 58.200 -0.045 0.000 0.958 211 S CB 0.263 63.418 63.200 -0.075 0.000 0.797 211 S HN -0.026 nan 8.310 nan 0.000 0.493 212 V N 3.957 123.777 119.914 -0.157 0.000 2.446 212 V HA 0.121 4.241 4.120 -0.000 0.000 0.276 212 V C 0.938 176.877 176.094 -0.259 0.000 1.030 212 V CA 0.168 62.265 62.300 -0.338 0.000 1.033 212 V CB 1.070 32.447 31.823 -0.743 0.000 0.993 212 V HN 0.365 nan 8.190 nan 0.000 0.477 213 K N 3.750 124.074 120.400 -0.128 0.000 2.361 213 K HA 0.278 4.598 4.320 -0.000 0.000 0.196 213 K C 0.760 177.352 176.600 -0.015 0.000 1.039 213 K CA 0.644 56.920 56.287 -0.019 0.000 1.001 213 K CB 0.702 33.225 32.500 0.038 0.000 0.795 213 K HN 0.791 nan 8.250 nan 0.000 0.495 214 G N 0.386 109.116 108.800 -0.116 0.000 2.411 214 G HA2 0.319 4.279 3.960 -0.000 0.000 0.295 214 G HA3 0.319 4.279 3.960 -0.000 0.000 0.295 214 G C -2.038 172.802 174.900 -0.101 0.000 1.542 214 G CA -0.584 44.491 45.100 -0.041 0.000 0.814 214 G HN -0.076 nan 8.290 nan 0.000 0.557 215 V N 0.508 120.452 119.914 0.050 0.000 2.735 215 V HA 0.898 5.018 4.120 -0.000 0.000 0.310 215 V C -0.093 176.028 176.094 0.045 0.000 1.061 215 V CA 0.109 62.435 62.300 0.044 0.000 0.913 215 V CB 2.223 34.153 31.823 0.179 0.000 1.005 215 V HN 1.517 nan 8.190 nan 0.000 0.428 216 T N 2.343 116.906 114.554 0.016 0.000 2.792 216 T HA 0.735 5.084 4.350 -0.000 0.000 0.280 216 T C -0.760 173.956 174.700 0.027 0.000 0.990 216 T CA -0.571 61.543 62.100 0.023 0.000 0.960 216 T CB 1.561 70.438 68.868 0.016 0.000 0.939 216 T HN 0.737 nan 8.240 nan 0.000 0.439 217 E N 1.342 121.560 120.200 0.029 0.000 2.187 217 E HA 0.344 4.694 4.350 -0.000 0.000 0.268 217 E C 0.331 176.939 176.600 0.013 0.000 0.896 217 E CA -0.706 55.702 56.400 0.014 0.000 0.766 217 E CB 1.814 31.514 29.700 0.001 0.000 1.142 217 E HN 0.743 nan 8.360 nan 0.000 0.408 218 E N 2.340 122.545 120.200 0.008 0.000 2.413 218 E HA 0.085 4.435 4.350 -0.000 0.000 0.203 218 E C -0.205 176.388 176.600 -0.011 0.000 0.957 218 E CA 0.278 56.697 56.400 0.032 0.000 0.950 218 E CB 0.796 30.554 29.700 0.095 0.000 0.957 218 E HN 0.511 nan 8.360 nan 0.000 0.497 219 T N -1.253 113.258 114.554 -0.071 0.000 2.940 219 T HA 0.244 4.594 4.350 -0.000 0.000 0.288 219 T C 0.971 175.626 174.700 -0.074 0.000 1.045 219 T CA -0.234 61.805 62.100 -0.102 0.000 1.018 219 T CB 1.719 70.450 68.868 -0.229 0.000 1.151 219 T HN -0.096 nan 8.240 nan 0.000 0.529 220 T N 1.128 115.650 114.554 -0.053 0.000 2.737 220 T HA -0.071 4.278 4.350 -0.000 0.000 0.265 220 T C 2.041 176.740 174.700 -0.002 0.000 1.038 220 T CA 1.792 63.884 62.100 -0.013 0.000 1.144 220 T CB -0.720 68.149 68.868 0.001 0.000 0.866 220 T HN 0.661 nan 8.240 nan 0.000 0.434 221 T N 1.420 115.968 114.554 -0.009 0.000 2.635 221 T HA -0.097 4.253 4.350 -0.000 0.000 0.267 221 T C 2.288 177.021 174.700 0.054 0.000 1.040 221 T CA 1.600 63.722 62.100 0.037 0.000 1.156 221 T CB -0.978 67.908 68.868 0.029 0.000 0.863 221 T HN 0.559 nan 8.240 nan 0.000 0.430 222 G N 0.501 109.309 108.800 0.014 0.000 2.402 222 G HA2 -0.147 3.812 3.960 -0.000 0.000 0.216 222 G HA3 -0.147 3.812 3.960 -0.000 0.000 0.216 222 G C 1.715 176.613 174.900 -0.003 0.000 1.162 222 G CA 0.743 45.867 45.100 0.040 0.000 0.777 222 G HN 0.439 nan 8.290 nan 0.000 0.539 223 V N 0.705 120.584 119.914 -0.059 0.000 2.407 223 V HA -0.135 3.985 4.120 -0.000 0.000 0.248 223 V C 2.680 178.653 176.094 -0.202 0.000 1.055 223 V CA 1.527 63.719 62.300 -0.179 0.000 1.049 223 V CB -0.355 31.363 31.823 -0.175 0.000 0.662 223 V HN 0.360 nan 8.190 nan 0.000 0.455 224 L N 0.723 121.935 121.223 -0.018 0.000 1.971 224 L HA -0.227 4.113 4.340 -0.000 0.000 0.215 224 L C 2.594 179.479 176.870 0.026 0.000 1.072 224 L CA 2.104 56.989 54.840 0.074 0.000 0.758 224 L CB -0.829 41.272 42.059 0.070 0.000 0.889 224 L HN 0.220 nan 8.230 nan 0.000 0.433 225 R N -0.819 119.672 120.500 -0.015 0.000 2.117 225 R HA -0.189 4.151 4.340 -0.000 0.000 0.243 225 R C 2.308 178.562 176.300 -0.077 0.000 1.143 225 R CA 1.799 57.838 56.100 -0.101 0.000 0.968 225 R CB -0.648 29.623 30.300 -0.049 0.000 0.863 225 R HN 0.417 nan 8.270 nan 0.000 0.444 226 L N -0.758 120.472 121.223 0.012 0.000 2.017 226 L HA -0.220 4.119 4.340 -0.000 0.000 0.208 226 L C 2.155 179.067 176.870 0.069 0.000 1.073 226 L CA 1.293 56.171 54.840 0.063 0.000 0.745 226 L CB -0.528 41.478 42.059 -0.088 0.000 0.894 226 L HN 0.169 nan 8.230 nan 0.000 0.432 227 Y N 0.373 120.693 120.300 0.033 0.000 2.315 227 Y HA -0.252 4.298 4.550 -0.000 0.000 0.288 227 Y C 2.676 178.563 175.900 -0.022 0.000 1.154 227 Y CA 0.909 59.012 58.100 0.005 0.000 1.229 227 Y CB -0.672 37.786 38.460 -0.004 0.000 0.980 227 Y HN 0.327 nan 8.280 nan 0.000 0.540 228 Q N -1.916 117.923 119.800 0.064 0.000 2.163 228 Q HA -0.090 4.250 4.340 -0.000 0.000 0.198 228 Q C 1.866 177.821 176.000 -0.075 0.000 0.954 228 Q CA 0.903 56.666 55.803 -0.068 0.000 0.851 228 Q CB -0.257 28.360 28.738 -0.202 0.000 0.928 228 Q HN 0.349 nan 8.270 nan 0.000 0.459 229 F N 0.812 120.764 119.950 0.003 0.000 2.146 229 F HA -0.129 4.398 4.527 -0.000 0.000 0.298 229 F C 2.319 178.102 175.800 -0.028 0.000 1.096 229 F CA 1.007 58.989 58.000 -0.031 0.000 1.275 229 F CB -0.800 38.161 39.000 -0.065 0.000 1.008 229 F HN 0.053 nan 8.300 nan 0.000 0.480 230 A N 0.148 123.080 122.820 0.187 0.000 1.845 230 A HA -0.081 4.239 4.320 -0.000 0.000 0.215 230 A C 2.423 180.054 177.584 0.079 0.000 1.195 230 A CA 1.909 54.014 52.037 0.114 0.000 0.616 230 A CB -1.456 17.626 19.000 0.136 0.000 0.832 230 A HN 0.278 nan 8.150 nan 0.000 0.443 231 A N -0.731 122.132 122.820 0.072 0.000 2.139 231 A HA 0.123 4.443 4.320 -0.000 0.000 0.221 231 A C 2.152 179.753 177.584 0.028 0.000 1.159 231 A CA 2.132 54.189 52.037 0.034 0.000 0.662 231 A CB -0.649 18.362 19.000 0.018 0.000 0.796 231 A HN 1.166 nan 8.150 nan 0.000 0.463 232 A N -2.746 120.102 122.820 0.047 0.000 2.252 232 A HA 0.450 4.769 4.320 -0.000 0.000 0.213 232 A C 1.845 179.456 177.584 0.045 0.000 1.188 232 A CA 1.078 53.142 52.037 0.045 0.000 0.863 232 A CB -0.393 18.645 19.000 0.064 0.000 0.893 232 A HN 1.829 nan 8.150 nan 0.000 0.495 233 G N -0.340 108.488 108.800 0.045 0.000 2.175 233 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.244 233 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.244 233 G C 0.206 175.113 174.900 0.012 0.000 0.982 233 G CA 0.457 45.572 45.100 0.025 0.000 0.641 233 G HN 0.391 nan 8.290 nan 0.000 0.527 234 D N -0.086 120.335 120.400 0.036 0.000 2.336 234 D HA 0.200 4.840 4.640 -0.000 0.000 0.228 234 D C 0.901 177.118 176.300 -0.137 0.000 1.120 234 D CA -0.123 53.870 54.000 -0.011 0.000 0.839 234 D CB 0.361 41.215 40.800 0.090 0.000 0.932 234 D HN 0.384 nan 8.370 nan 0.000 0.509 235 L N 1.032 122.190 121.223 -0.109 0.000 2.375 235 L HA 0.306 4.646 4.340 -0.000 0.000 0.276 235 L C 1.235 177.910 176.870 -0.326 0.000 1.162 235 L CA -0.263 54.430 54.840 -0.246 0.000 0.991 235 L CB 0.402 42.402 42.059 -0.099 0.000 1.315 235 L HN -0.097 nan 8.230 nan 0.000 0.431 236 A N 4.822 127.315 122.820 -0.545 0.000 2.209 236 A HA 0.155 4.475 4.320 -0.000 0.000 0.212 236 A C 0.290 177.722 177.584 -0.254 0.000 1.158 236 A CA 0.746 52.559 52.037 -0.373 0.000 0.742 236 A CB -0.760 18.084 19.000 -0.261 0.000 0.790 236 A HN 0.632 nan 8.150 nan 0.000 0.472 237 F N -4.465 115.488 119.950 0.005 0.000 2.643 237 F HA 0.692 5.218 4.527 -0.000 0.000 0.314 237 F C -3.298 172.538 175.800 0.059 0.000 1.096 237 F CA -3.763 54.253 58.000 0.026 0.000 0.953 237 F CB 0.230 39.234 39.000 0.007 0.000 1.345 237 F HN -0.335 nan 8.300 nan 0.000 0.468 238 P HA 0.380 nan 4.420 nan 0.000 0.269 238 P C -1.171 176.281 177.300 0.253 0.000 1.215 238 P CA -0.041 63.219 63.100 0.267 0.000 0.780 238 P CB 0.808 32.609 31.700 0.169 0.000 0.898 239 A N 2.957 125.932 122.820 0.258 0.000 2.381 239 A HA 0.588 4.908 4.320 -0.000 0.000 0.299 239 A C -0.755 176.955 177.584 0.209 0.000 1.049 239 A CA -0.605 51.546 52.037 0.189 0.000 0.715 239 A CB 0.608 19.688 19.000 0.134 0.000 1.222 239 A HN 0.427 nan 8.150 nan 0.000 0.428 240 I N 2.620 123.264 120.570 0.124 0.000 2.315 240 I HA 0.148 4.318 4.170 -0.000 0.000 0.291 240 I C 0.217 176.385 176.117 0.086 0.000 1.006 240 I CA -0.661 60.723 61.300 0.140 0.000 1.265 240 I CB 1.378 39.427 38.000 0.081 0.000 1.387 240 I HN 0.713 nan 8.210 nan 0.000 0.475 241 N N 6.843 125.592 118.700 0.082 0.000 2.498 241 N HA 0.017 4.757 4.740 -0.000 0.000 0.277 241 N C 0.619 176.164 175.510 0.058 0.000 1.208 241 N CA 0.205 53.270 53.050 0.025 0.000 1.029 241 N CB 0.851 39.344 38.487 0.011 0.000 1.403 241 N HN 0.421 nan 8.380 nan 0.000 0.500 242 V N 3.024 122.967 119.914 0.048 0.000 2.809 242 V HA -0.144 3.975 4.120 -0.000 0.000 0.256 242 V C 2.371 178.494 176.094 0.049 0.000 1.080 242 V CA 1.068 63.402 62.300 0.057 0.000 1.102 242 V CB -0.805 31.057 31.823 0.066 0.000 0.705 242 V HN 0.750 nan 8.190 nan 0.000 0.475 243 N N 0.794 119.514 118.700 0.033 0.000 2.137 243 N HA -0.218 4.521 4.740 -0.000 0.000 0.190 243 N C 0.962 176.495 175.510 0.038 0.000 1.017 243 N CA 1.723 54.788 53.050 0.026 0.000 0.859 243 N CB -0.032 38.461 38.487 0.009 0.000 1.002 243 N HN 0.462 nan 8.380 nan 0.000 0.428 244 D N 0.523 120.956 120.400 0.056 0.000 2.388 244 D HA 0.106 4.746 4.640 -0.000 0.000 0.221 244 D C -0.295 176.051 176.300 0.076 0.000 1.133 244 D CA 0.008 54.051 54.000 0.071 0.000 0.831 244 D CB 0.442 41.301 40.800 0.098 0.000 0.962 244 D HN 0.075 nan 8.370 nan 0.000 0.502 245 S N 0.239 115.977 115.700 0.065 0.000 2.549 245 S HA 0.024 4.494 4.470 -0.000 0.000 0.286 245 S C 1.998 176.626 174.600 0.047 0.000 1.314 245 S CA -0.546 57.686 58.200 0.054 0.000 1.062 245 S CB 1.981 65.205 63.200 0.040 0.000 0.865 245 S HN -0.034 nan 8.310 nan 0.000 0.498 246 V N 3.513 123.440 119.914 0.022 0.000 2.282 246 V HA -0.220 3.900 4.120 -0.000 0.000 0.249 246 V C 2.674 178.878 176.094 0.183 0.000 1.057 246 V CA 2.307 64.606 62.300 -0.001 0.000 1.032 246 V CB -1.617 30.059 31.823 -0.244 0.000 0.645 246 V HN 1.079 nan 8.190 nan 0.000 0.447 247 T N -2.756 111.860 114.554 0.104 0.000 3.077 247 T HA -0.143 4.206 4.350 -0.000 0.000 0.269 247 T C 1.672 176.426 174.700 0.089 0.000 1.146 247 T CA 1.127 63.234 62.100 0.011 0.000 1.091 247 T CB 0.014 68.742 68.868 -0.234 0.000 0.892 247 T HN 0.312 nan 8.240 nan 0.000 0.533 248 K N 1.656 122.117 120.400 0.100 0.000 2.183 248 K HA 0.110 4.430 4.320 -0.000 0.000 0.218 248 K C 2.793 179.437 176.600 0.072 0.000 1.025 248 K CA 1.340 57.663 56.287 0.061 0.000 0.944 248 K CB -0.635 31.884 32.500 0.032 0.000 0.936 248 K HN 0.444 nan 8.250 nan 0.000 0.460 249 S N 2.114 117.836 115.700 0.037 0.000 2.359 249 S HA -0.124 4.345 4.470 -0.000 0.000 0.223 249 S C 1.648 176.185 174.600 -0.105 0.000 1.039 249 S CA 1.138 59.326 58.200 -0.021 0.000 1.042 249 S CB -0.373 62.818 63.200 -0.015 0.000 0.915 249 S HN 0.202 nan 8.310 nan 0.000 0.439 250 K N 0.357 120.675 120.400 -0.137 0.000 2.504 250 K HA 0.202 4.521 4.320 -0.000 0.000 0.195 250 K C 0.897 177.045 176.600 -0.754 0.000 1.036 250 K CA 0.579 56.609 56.287 -0.428 0.000 0.984 250 K CB -0.344 31.878 32.500 -0.463 0.000 0.788 250 K HN 0.543 nan 8.250 nan 0.000 0.488 251 F N -0.009 119.825 119.950 -0.194 0.000 2.423 251 F HA 0.041 4.568 4.527 -0.000 0.000 0.269 251 F C 2.163 177.894 175.800 -0.115 0.000 0.880 251 F CA 0.004 57.959 58.000 -0.075 0.000 1.134 251 F CB -0.369 38.642 39.000 0.017 0.000 1.143 251 F HN -0.093 nan 8.300 nan 0.000 0.802 252 D N 0.898 121.344 120.400 0.077 0.000 2.077 252 D HA -0.179 4.461 4.640 -0.000 0.000 0.193 252 D C 1.482 177.728 176.300 -0.091 0.000 0.989 252 D CA 1.998 55.983 54.000 -0.025 0.000 0.831 252 D CB -0.354 40.467 40.800 0.035 0.000 0.979 252 D HN 0.089 nan 8.370 nan 0.000 0.449 253 N N 0.448 119.120 118.700 -0.046 0.000 2.149 253 N HA -0.128 4.612 4.740 -0.000 0.000 0.188 253 N C 1.688 177.114 175.510 -0.141 0.000 1.019 253 N CA 0.934 53.958 53.050 -0.044 0.000 0.857 253 N CB -0.154 38.300 38.487 -0.055 0.000 0.997 253 N HN 0.321 nan 8.380 nan 0.000 0.426 254 K N -0.493 119.738 120.400 -0.282 0.000 2.057 254 K HA 0.011 4.331 4.320 -0.000 0.000 0.209 254 K C 1.626 178.045 176.600 -0.302 0.000 1.028 254 K CA 0.613 56.667 56.287 -0.389 0.000 0.950 254 K CB -0.202 31.889 32.500 -0.683 0.000 0.784 254 K HN 0.018 nan 8.250 nan 0.000 0.448 255 Y N 0.654 120.879 120.300 -0.125 0.000 2.224 255 Y HA -0.069 4.481 4.550 -0.000 0.000 0.289 255 Y C 2.328 178.131 175.900 -0.162 0.000 1.146 255 Y CA 1.074 59.120 58.100 -0.090 0.000 1.182 255 Y CB -1.310 37.138 38.460 -0.019 0.000 0.983 255 Y HN 0.306 nan 8.280 nan 0.000 0.524 256 G N -0.436 108.208 108.800 -0.260 0.000 2.480 256 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.216 256 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.216 256 G C 1.769 176.359 174.900 -0.516 0.000 1.200 256 G CA 1.870 46.440 45.100 -0.884 0.000 0.782 256 G HN 0.366 nan 8.290 nan 0.000 0.554 257 T N 0.392 114.802 114.554 -0.239 0.000 2.684 257 T HA -0.141 4.209 4.350 -0.000 0.000 0.267 257 T C 2.266 176.999 174.700 0.055 0.000 1.036 257 T CA 1.368 63.504 62.100 0.060 0.000 1.148 257 T CB -0.229 68.672 68.868 0.055 0.000 0.863 257 T HN 0.340 nan 8.240 nan 0.000 0.436 258 R N 0.108 120.630 120.500 0.036 0.000 2.134 258 R HA -0.258 4.081 4.340 -0.000 0.000 0.248 258 R C 2.421 178.776 176.300 0.093 0.000 1.143 258 R CA 1.940 58.084 56.100 0.073 0.000 0.957 258 R CB -0.444 29.927 30.300 0.118 0.000 0.867 258 R HN 0.560 nan 8.270 nan 0.000 0.441 259 H N -0.299 118.787 119.070 0.026 0.000 2.284 259 H HA -0.053 4.503 4.556 0.000 0.000 0.304 259 H C 2.063 177.429 175.328 0.063 0.000 1.069 259 H CA 2.134 58.206 56.048 0.040 0.000 1.327 259 H CB -0.103 29.681 29.762 0.036 0.000 1.387 259 H HN 0.414 nan 8.280 nan 0.000 0.498 260 S N 0.547 116.418 115.700 0.286 0.000 2.496 260 S HA -0.069 4.401 4.470 -0.000 0.000 0.224 260 S C 2.241 176.919 174.600 0.129 0.000 0.996 260 S CA 0.630 58.990 58.200 0.266 0.000 0.927 260 S CB -0.415 63.007 63.200 0.369 0.000 0.774 260 S HN 0.314 nan 8.310 nan 0.000 0.524 261 L N 2.440 123.721 121.223 0.097 0.000 1.994 261 L HA 0.027 4.367 4.340 -0.000 0.000 0.208 261 L C 2.117 179.002 176.870 0.025 0.000 1.071 261 L CA 1.976 56.849 54.840 0.055 0.000 0.745 261 L CB -0.720 41.363 42.059 0.040 0.000 0.892 261 L HN 0.516 nan 8.230 nan 0.000 0.431 262 I N -3.118 117.451 120.570 -0.002 0.000 2.617 262 I HA -0.026 4.144 4.170 -0.000 0.000 0.256 262 I C 2.031 178.134 176.117 -0.024 0.000 1.167 262 I CA 1.433 62.723 61.300 -0.017 0.000 1.469 262 I CB -1.144 36.838 38.000 -0.030 0.000 1.098 262 I HN 0.210 nan 8.210 nan 0.000 0.436 263 D N 1.673 122.048 120.400 -0.041 0.000 2.116 263 D HA -0.167 4.472 4.640 -0.000 0.000 0.193 263 D C 2.320 178.632 176.300 0.019 0.000 0.998 263 D CA 2.065 56.055 54.000 -0.016 0.000 0.836 263 D CB -0.630 40.170 40.800 -0.001 0.000 0.951 263 D HN 0.411 nan 8.370 nan 0.000 0.449 264 G N 0.347 109.166 108.800 0.032 0.000 2.446 264 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.217 264 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.217 264 G C 1.974 176.889 174.900 0.025 0.000 1.168 264 G CA 1.015 46.136 45.100 0.035 0.000 0.771 264 G HN 0.403 nan 8.290 nan 0.000 0.551 265 I N 1.017 121.599 120.570 0.020 0.000 2.252 265 I HA -0.142 4.028 4.170 -0.000 0.000 0.245 265 I C 2.445 178.570 176.117 0.014 0.000 1.102 265 I CA 0.838 62.148 61.300 0.017 0.000 1.385 265 I CB -0.204 37.805 38.000 0.015 0.000 1.064 265 I HN 0.044 nan 8.210 nan 0.000 0.414 266 N N 0.855 119.561 118.700 0.009 0.000 2.149 266 N HA -0.146 4.594 4.740 -0.000 0.000 0.188 266 N C 1.870 177.388 175.510 0.012 0.000 1.019 266 N CA 1.214 54.269 53.050 0.008 0.000 0.857 266 N CB -0.269 38.218 38.487 0.000 0.000 0.997 266 N HN 0.382 nan 8.380 nan 0.000 0.426 267 R N -0.315 120.194 120.500 0.016 0.000 2.080 267 R HA 0.098 4.438 4.340 -0.000 0.000 0.222 267 R C 2.270 178.578 176.300 0.013 0.000 1.107 267 R CA 1.047 57.158 56.100 0.018 0.000 0.980 267 R CB -0.497 29.818 30.300 0.025 0.000 0.879 267 R HN 0.207 nan 8.270 nan 0.000 0.439 268 G N 0.140 108.948 108.800 0.013 0.000 2.408 268 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.217 268 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.217 268 G C 1.393 176.299 174.900 0.011 0.000 1.150 268 G CA 1.586 46.691 45.100 0.008 0.000 0.776 268 G HN 0.483 nan 8.290 nan 0.000 0.542 269 T N -4.197 110.367 114.554 0.017 0.000 3.073 269 T HA 0.111 4.461 4.350 -0.000 0.000 0.264 269 T C 0.493 175.207 174.700 0.023 0.000 0.893 269 T CA 0.826 62.940 62.100 0.023 0.000 0.863 269 T CB 0.173 69.059 68.868 0.030 0.000 1.247 269 T HN 0.143 nan 8.240 nan 0.000 0.546 270 D N 2.127 122.538 120.400 0.018 0.000 2.692 270 D HA -0.126 4.514 4.640 -0.000 0.000 0.233 270 D C 0.152 176.464 176.300 0.020 0.000 1.172 270 D CA 0.960 54.970 54.000 0.017 0.000 0.636 270 D CB -1.293 39.516 40.800 0.014 0.000 1.028 270 D HN 0.858 nan 8.370 nan 0.000 0.419 271 A N 0.567 123.400 122.820 0.022 0.000 2.317 271 A HA 0.559 4.879 4.320 -0.000 0.000 0.327 271 A C 0.119 177.715 177.584 0.019 0.000 1.178 271 A CA -0.748 51.304 52.037 0.025 0.000 0.817 271 A CB 1.394 20.415 19.000 0.034 0.000 1.189 271 A HN 0.249 nan 8.150 nan 0.000 0.489 272 L N 3.014 124.247 121.223 0.018 0.000 2.477 272 L HA 0.199 4.539 4.340 -0.000 0.000 0.272 272 L C 0.619 177.498 176.870 0.016 0.000 1.157 272 L CA 0.469 55.318 54.840 0.015 0.000 0.889 272 L CB 0.005 42.072 42.059 0.013 0.000 1.158 272 L HN 0.734 nan 8.230 nan 0.000 0.473 273 I N 3.856 124.434 120.570 0.014 0.000 2.333 273 I HA 0.074 4.244 4.170 -0.000 0.000 0.246 273 I C 1.536 177.663 176.117 0.016 0.000 1.106 273 I CA 0.933 62.242 61.300 0.014 0.000 1.411 273 I CB -0.556 37.450 38.000 0.011 0.000 1.082 273 I HN 0.861 nan 8.210 nan 0.000 0.420 274 G N -0.017 108.793 108.800 0.017 0.000 2.202 274 G HA2 0.314 4.274 3.960 -0.000 0.000 0.251 274 G HA3 0.314 4.274 3.960 -0.000 0.000 0.251 274 G C 1.064 175.975 174.900 0.018 0.000 1.219 274 G CA 0.386 45.497 45.100 0.019 0.000 0.943 274 G HN 0.683 nan 8.290 nan 0.000 0.465 275 G N 1.885 110.698 108.800 0.021 0.000 2.234 275 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.235 275 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.235 275 G C 0.614 175.526 174.900 0.020 0.000 0.997 275 G CA 0.406 45.518 45.100 0.020 0.000 0.623 275 G HN 0.775 nan 8.290 nan 0.000 0.514 276 K N 0.985 121.397 120.400 0.019 0.000 2.118 276 K HA 0.437 4.757 4.320 -0.000 0.000 0.264 276 K C 0.281 176.891 176.600 0.016 0.000 1.000 276 K CA -0.521 55.777 56.287 0.018 0.000 0.929 276 K CB 0.984 33.495 32.500 0.018 0.000 1.021 276 K HN 0.209 nan 8.250 nan 0.000 0.463 277 K N 1.836 122.245 120.400 0.015 0.000 2.310 277 K HA 0.170 4.489 4.320 -0.000 0.000 0.290 277 K C -0.581 176.019 176.600 0.000 0.000 1.077 277 K CA -0.266 56.027 56.287 0.010 0.000 0.922 277 K CB 0.549 33.055 32.500 0.010 0.000 1.057 277 K HN 0.215 nan 8.250 nan 0.000 0.479 278 V N 5.361 125.268 119.914 -0.011 0.000 2.394 278 V HA 0.219 4.339 4.120 -0.000 0.000 0.282 278 V C -0.336 175.729 176.094 -0.049 0.000 1.031 278 V CA -0.952 61.331 62.300 -0.027 0.000 0.881 278 V CB 1.359 33.160 31.823 -0.036 0.000 0.982 278 V HN 0.515 nan 8.190 nan 0.000 0.451 279 L N 6.820 128.018 121.223 -0.043 0.000 2.272 279 L HA 0.563 4.903 4.340 -0.000 0.000 0.289 279 L C -0.523 176.312 176.870 -0.059 0.000 1.032 279 L CA 0.083 54.890 54.840 -0.055 0.000 0.810 279 L CB 1.008 43.040 42.059 -0.044 0.000 1.205 279 L HN 0.398 nan 8.230 nan 0.000 0.422 280 I N 4.848 125.372 120.570 -0.077 0.000 2.354 280 I HA 0.223 4.392 4.170 -0.000 0.000 0.286 280 I C -0.438 175.660 176.117 -0.032 0.000 1.007 280 I CA -0.430 60.836 61.300 -0.056 0.000 1.167 280 I CB 1.064 39.020 38.000 -0.073 0.000 1.320 280 I HN 0.531 nan 8.210 nan 0.000 0.458 281 C N 5.047 124.333 119.300 -0.023 0.000 2.482 281 C HA 0.718 5.178 4.460 -0.000 0.000 0.378 281 C C 0.980 175.978 174.990 0.013 0.000 1.284 281 C CA -0.296 58.713 59.018 -0.015 0.000 1.826 281 C CB -0.450 27.272 27.740 -0.030 0.000 2.473 281 C HN 1.071 nan 8.230 nan 0.000 0.562 282 G N 2.373 111.196 108.800 0.039 0.000 3.055 282 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.686 282 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.686 282 G C -1.142 173.841 174.900 0.138 0.000 1.087 282 G CA -0.660 44.479 45.100 0.064 0.000 0.779 282 G HN 0.827 nan 8.290 nan 0.000 0.599 283 Y N 2.695 122.985 120.300 -0.016 0.000 2.634 283 Y HA 0.516 5.065 4.550 -0.000 0.000 0.292 283 Y C 1.333 177.228 175.900 -0.007 0.000 0.996 283 Y CA 0.308 58.403 58.100 -0.009 0.000 1.165 283 Y CB 0.102 38.571 38.460 0.014 0.000 1.194 283 Y HN 0.951 nan 8.280 nan 0.000 0.585 284 G N -0.009 108.750 108.800 -0.068 0.000 2.489 284 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.271 284 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.271 284 G C 0.669 175.442 174.900 -0.212 0.000 1.427 284 G CA 0.063 45.101 45.100 -0.103 0.000 1.057 284 G HN 0.295 nan 8.290 nan 0.000 0.532 285 D N -1.182 119.116 120.400 -0.169 0.000 2.178 285 D HA -0.115 4.525 4.640 -0.000 0.000 0.202 285 D C 2.707 178.883 176.300 -0.207 0.000 0.974 285 D CA 0.787 54.657 54.000 -0.217 0.000 0.841 285 D CB -0.004 40.686 40.800 -0.183 0.000 0.953 285 D HN 0.070 nan 8.370 nan 0.000 0.478 286 V N 1.117 120.951 119.914 -0.133 0.000 2.323 286 V HA -0.115 4.005 4.120 -0.000 0.000 0.244 286 V C 2.669 178.703 176.094 -0.101 0.000 1.041 286 V CA 1.894 64.144 62.300 -0.083 0.000 1.025 286 V CB -1.051 30.757 31.823 -0.025 0.000 0.656 286 V HN 0.186 nan 8.190 nan 0.000 0.451 287 G N 0.103 108.835 108.800 -0.115 0.000 2.469 287 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.219 287 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.219 287 G C 1.640 176.415 174.900 -0.209 0.000 1.150 287 G CA 1.144 46.182 45.100 -0.104 0.000 0.763 287 G HN 0.485 nan 8.290 nan 0.000 0.561 288 K N 0.133 120.219 120.400 -0.524 0.000 2.020 288 K HA -0.092 4.228 4.320 -0.000 0.000 0.212 288 K C 2.800 179.286 176.600 -0.190 0.000 1.050 288 K CA 1.142 57.074 56.287 -0.592 0.000 0.929 288 K CB -0.664 31.446 32.500 -0.650 0.000 0.714 288 K HN 0.275 nan 8.250 nan 0.000 0.443 289 G N 1.338 110.035 108.800 -0.172 0.000 2.469 289 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.219 289 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.219 289 G C 1.699 176.584 174.900 -0.025 0.000 1.150 289 G CA 1.277 46.330 45.100 -0.079 0.000 0.763 289 G HN 0.342 nan 8.290 nan 0.000 0.561 290 C N 0.907 120.185 119.300 -0.037 0.000 2.436 290 C HA 0.155 4.615 4.460 -0.000 0.000 0.277 290 C C 3.562 178.531 174.990 -0.035 0.000 1.241 290 C CA 0.930 59.934 59.018 -0.023 0.000 1.721 290 C CB -1.129 26.593 27.740 -0.029 0.000 2.043 290 C HN 0.583 nan 8.230 nan 0.000 0.472 291 A N 0.324 123.105 122.820 -0.064 0.000 1.883 291 A HA -0.258 4.062 4.320 -0.000 0.000 0.217 291 A C 2.092 179.697 177.584 0.037 0.000 1.186 291 A CA 2.091 54.029 52.037 -0.165 0.000 0.624 291 A CB -0.780 17.976 19.000 -0.408 0.000 0.822 291 A HN 0.717 nan 8.150 nan 0.000 0.444 292 E N -0.274 120.002 120.200 0.127 0.000 2.070 292 E HA -0.181 4.169 4.350 -0.000 0.000 0.197 292 E C 2.161 178.826 176.600 0.108 0.000 1.004 292 E CA 1.277 57.776 56.400 0.166 0.000 0.805 292 E CB -0.279 29.502 29.700 0.135 0.000 0.744 292 E HN 0.567 nan 8.360 nan 0.000 0.451 293 A N 0.797 123.655 122.820 0.063 0.000 1.845 293 A HA -0.215 4.105 4.320 -0.000 0.000 0.215 293 A C 2.166 179.771 177.584 0.034 0.000 1.195 293 A CA 1.876 53.938 52.037 0.042 0.000 0.616 293 A CB -0.492 18.523 19.000 0.025 0.000 0.832 293 A HN 0.257 nan 8.150 nan 0.000 0.443 294 M N -0.180 119.431 119.600 0.018 0.000 2.073 294 M HA -0.175 4.305 4.480 -0.000 0.000 0.258 294 M C 2.098 178.425 176.300 0.045 0.000 1.070 294 M CA 2.098 57.405 55.300 0.012 0.000 1.103 294 M CB -1.389 31.195 32.600 -0.026 0.000 1.321 294 M HN 0.545 nan 8.290 nan 0.000 0.405 295 K N -0.072 120.380 120.400 0.086 0.000 2.015 295 K HA -0.192 4.128 4.320 -0.000 0.000 0.216 295 K C 1.969 178.630 176.600 0.102 0.000 1.052 295 K CA 2.033 58.411 56.287 0.151 0.000 0.937 295 K CB -0.667 32.008 32.500 0.292 0.000 0.719 295 K HN 0.459 nan 8.250 nan 0.000 0.446 296 G N 0.276 109.128 108.800 0.087 0.000 2.479 296 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.220 296 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.220 296 G C 1.303 176.228 174.900 0.042 0.000 1.115 296 G CA 0.457 45.593 45.100 0.060 0.000 0.757 296 G HN 0.359 nan 8.290 nan 0.000 0.560 297 Q N -0.587 119.237 119.800 0.039 0.000 2.319 297 Q HA 0.197 4.536 4.340 -0.000 0.000 0.202 297 Q C 1.626 177.643 176.000 0.028 0.000 0.896 297 Q CA 0.615 56.433 55.803 0.025 0.000 0.942 297 Q CB 0.721 29.468 28.738 0.016 0.000 1.083 297 Q HN 0.546 nan 8.270 nan 0.000 0.510 298 G N 0.578 109.401 108.800 0.040 0.000 2.131 298 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.223 298 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.223 298 G C 0.311 175.235 174.900 0.040 0.000 0.990 298 G CA 0.120 45.244 45.100 0.039 0.000 0.671 298 G HN 0.525 nan 8.290 nan 0.000 0.521 299 A N -0.142 122.703 122.820 0.042 0.000 2.332 299 A HA 0.738 5.058 4.320 -0.000 0.000 0.258 299 A C 0.791 178.407 177.584 0.052 0.000 1.087 299 A CA -0.094 51.965 52.037 0.036 0.000 0.802 299 A CB 0.332 19.344 19.000 0.020 0.000 1.042 299 A HN 0.498 nan 8.150 nan 0.000 0.489 300 R N 1.071 121.597 120.500 0.042 0.000 2.391 300 R HA 0.374 4.714 4.340 -0.000 0.000 0.310 300 R C -1.208 175.120 176.300 0.047 0.000 1.174 300 R CA -0.322 55.812 56.100 0.057 0.000 1.118 300 R CB 0.677 31.001 30.300 0.041 0.000 1.134 300 R HN 0.403 nan 8.270 nan 0.000 0.524 301 V N 2.370 122.328 119.914 0.073 0.000 2.509 301 V HA 0.234 4.354 4.120 -0.000 0.000 0.284 301 V C 0.218 176.304 176.094 -0.013 0.000 1.047 301 V CA -0.082 62.190 62.300 -0.046 0.000 0.952 301 V CB 1.691 33.345 31.823 -0.282 0.000 0.988 301 V HN 0.696 nan 8.190 nan 0.000 0.469 302 S N 3.070 118.724 115.700 -0.076 0.000 2.600 302 S HA 0.804 5.274 4.470 -0.000 0.000 0.300 302 S C -0.701 173.829 174.600 -0.116 0.000 1.087 302 S CA -0.600 57.572 58.200 -0.047 0.000 0.965 302 S CB 2.218 65.407 63.200 -0.018 0.000 1.089 302 S HN 0.424 nan 8.310 nan 0.000 0.496 303 V N 1.620 121.479 119.914 -0.092 0.000 2.914 303 V HA 0.761 4.881 4.120 -0.000 0.000 0.314 303 V C 0.054 176.114 176.094 -0.056 0.000 1.084 303 V CA -0.680 61.559 62.300 -0.101 0.000 0.963 303 V CB 2.265 33.987 31.823 -0.169 0.000 1.025 303 V HN 1.040 nan 8.190 nan 0.000 0.432 304 T N 0.896 115.429 114.554 -0.035 0.000 2.885 304 T HA 0.807 5.157 4.350 -0.000 0.000 0.285 304 T C -0.886 173.816 174.700 0.003 0.000 1.019 304 T CA -0.482 61.603 62.100 -0.025 0.000 1.010 304 T CB 2.162 71.006 68.868 -0.039 0.000 1.022 304 T HN 0.648 nan 8.240 nan 0.000 0.466 305 E N 1.183 121.385 120.200 0.004 0.000 2.412 305 E HA 0.331 4.681 4.350 -0.000 0.000 0.279 305 E C 0.347 176.954 176.600 0.012 0.000 0.984 305 E CA -0.519 55.895 56.400 0.024 0.000 0.788 305 E CB 2.056 31.785 29.700 0.048 0.000 1.277 305 E HN 0.816 nan 8.360 nan 0.000 0.455 306 I N -2.548 118.031 120.570 0.016 0.000 4.035 306 I HA 0.340 4.510 4.170 -0.000 0.000 0.321 306 I C 0.611 176.736 176.117 0.013 0.000 1.289 306 I CA 0.014 61.321 61.300 0.010 0.000 1.236 306 I CB 0.555 38.559 38.000 0.008 0.000 1.076 306 I HN 0.060 nan 8.210 nan 0.000 0.418 307 D N 3.333 123.747 120.400 0.023 0.000 2.317 307 D HA 0.243 4.883 4.640 -0.000 0.000 0.234 307 D C -1.581 174.735 176.300 0.026 0.000 1.112 307 D CA -2.437 51.578 54.000 0.024 0.000 0.840 307 D CB 1.929 42.747 40.800 0.031 0.000 1.078 307 D HN 0.015 nan 8.370 nan 0.000 0.486 308 P HA -0.089 nan 4.420 nan 0.000 0.221 308 P C 1.821 179.133 177.300 0.019 0.000 1.150 308 P CA 0.633 63.741 63.100 0.012 0.000 0.800 308 P CB 0.576 32.279 31.700 0.005 0.000 0.787 309 I N 0.379 120.964 120.570 0.024 0.000 2.163 309 I HA -0.245 3.924 4.170 -0.000 0.000 0.243 309 I C 2.397 178.551 176.117 0.061 0.000 1.085 309 I CA 1.526 62.845 61.300 0.032 0.000 1.347 309 I CB -0.921 37.094 38.000 0.025 0.000 1.044 309 I HN -0.010 nan 8.210 nan 0.000 0.408 310 N N 1.065 119.816 118.700 0.085 0.000 2.188 310 N HA -0.106 4.634 4.740 -0.000 0.000 0.184 310 N C 2.038 177.643 175.510 0.158 0.000 1.018 310 N CA 1.312 54.463 53.050 0.170 0.000 0.858 310 N CB -0.113 38.476 38.487 0.171 0.000 0.989 310 N HN 0.337 nan 8.380 nan 0.000 0.426 311 A N 1.948 124.807 122.820 0.066 0.000 1.865 311 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 311 A C 2.204 179.769 177.584 -0.032 0.000 1.191 311 A CA 1.142 53.176 52.037 -0.004 0.000 0.623 311 A CB -0.853 18.145 19.000 -0.002 0.000 0.826 311 A HN 0.202 nan 8.150 nan 0.000 0.444 312 L N -0.149 121.072 121.223 -0.004 0.000 2.127 312 L HA -0.202 4.138 4.340 -0.000 0.000 0.211 312 L C 2.449 179.311 176.870 -0.014 0.000 1.089 312 L CA 2.171 57.003 54.840 -0.013 0.000 0.757 312 L CB -0.708 41.351 42.059 -0.001 0.000 0.899 312 L HN 0.523 nan 8.230 nan 0.000 0.434 313 Q N -1.214 118.605 119.800 0.032 0.000 2.079 313 Q HA -0.157 4.183 4.340 -0.000 0.000 0.200 313 Q C 2.275 178.275 176.000 0.000 0.000 0.974 313 Q CA 1.520 57.379 55.803 0.093 0.000 0.840 313 Q CB -0.271 28.626 28.738 0.266 0.000 0.898 313 Q HN 0.681 nan 8.270 nan 0.000 0.430 314 A N 0.891 123.546 122.820 -0.275 0.000 1.877 314 A HA -0.218 4.102 4.320 -0.000 0.000 0.216 314 A C 2.079 179.527 177.584 -0.228 0.000 1.186 314 A CA 1.503 53.212 52.037 -0.546 0.000 0.620 314 A CB -0.545 18.028 19.000 -0.712 0.000 0.822 314 A HN 0.286 nan 8.150 nan 0.000 0.443 315 M N -1.334 118.173 119.600 -0.155 0.000 2.065 315 M HA -0.173 4.307 4.480 -0.000 0.000 0.259 315 M C 2.140 178.351 176.300 -0.148 0.000 1.069 315 M CA 1.437 56.666 55.300 -0.119 0.000 1.110 315 M CB -0.543 32.013 32.600 -0.074 0.000 1.328 315 M HN 0.284 nan 8.290 nan 0.000 0.405 316 M N -0.211 119.322 119.600 -0.112 0.000 2.435 316 M HA -0.158 4.322 4.480 -0.000 0.000 0.262 316 M C 1.300 177.509 176.300 -0.151 0.000 1.065 316 M CA 1.404 56.645 55.300 -0.099 0.000 1.076 316 M CB -1.345 31.227 32.600 -0.047 0.000 1.403 316 M HN 0.136 nan 8.290 nan 0.000 0.454 317 E N -0.488 119.563 120.200 -0.248 0.000 2.463 317 E HA 0.296 4.646 4.350 -0.000 0.000 0.193 317 E C 0.864 176.976 176.600 -0.815 0.000 1.041 317 E CA 0.442 56.593 56.400 -0.414 0.000 0.879 317 E CB -0.163 29.333 29.700 -0.340 0.000 0.997 317 E HN 0.531 nan 8.360 nan 0.000 0.478 318 G N 0.438 108.889 108.800 -0.583 0.000 2.171 318 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.238 318 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.238 318 G C -0.403 174.189 174.900 -0.513 0.000 1.039 318 G CA 0.114 44.914 45.100 -0.499 0.000 0.759 318 G HN 0.121 nan 8.290 nan 0.000 0.501 319 F N 0.617 120.510 119.950 -0.093 0.000 2.495 319 F HA 0.513 5.039 4.527 -0.001 0.000 0.327 319 F C 0.295 176.030 175.800 -0.108 0.000 1.103 319 F CA -2.167 55.768 58.000 -0.108 0.000 0.949 319 F CB 1.193 40.094 39.000 -0.166 0.000 1.142 319 F HN -0.111 nan 8.300 nan 0.000 0.457 320 D N 1.713 122.184 120.400 0.118 0.000 2.455 320 D HA 0.194 4.834 4.640 -0.000 0.000 0.241 320 D C -0.348 175.962 176.300 0.017 0.000 1.138 320 D CA 0.311 54.335 54.000 0.040 0.000 0.877 320 D CB 1.309 42.125 40.800 0.027 0.000 1.187 320 D HN 0.133 nan 8.370 nan 0.000 0.451 321 V N 3.332 123.239 119.914 -0.012 0.000 2.347 321 V HA 0.374 4.494 4.120 -0.000 0.000 0.280 321 V C 0.343 176.424 176.094 -0.021 0.000 1.021 321 V CA -0.527 61.756 62.300 -0.028 0.000 0.847 321 V CB 1.243 33.042 31.823 -0.039 0.000 0.990 321 V HN 0.407 nan 8.190 nan 0.000 0.444 322 V N 2.049 121.949 119.914 -0.024 0.000 3.130 322 V HA 0.864 4.984 4.120 -0.000 0.000 0.310 322 V C -0.044 176.032 176.094 -0.030 0.000 1.158 322 V CA -0.638 61.648 62.300 -0.022 0.000 1.029 322 V CB 2.153 33.963 31.823 -0.021 0.000 1.057 322 V HN 0.780 nan 8.190 nan 0.000 0.436 323 T N -0.924 113.613 114.554 -0.028 0.000 2.922 323 T HA 0.507 4.857 4.350 -0.000 0.000 0.285 323 T C 1.041 175.705 174.700 -0.059 0.000 1.005 323 T CA 0.053 62.130 62.100 -0.038 0.000 1.061 323 T CB 1.515 70.370 68.868 -0.021 0.000 1.007 323 T HN 0.754 nan 8.240 nan 0.000 0.502 324 V N 2.002 121.851 119.914 -0.108 0.000 2.282 324 V HA -0.195 3.925 4.120 -0.000 0.000 0.249 324 V C 2.721 178.746 176.094 -0.115 0.000 1.057 324 V CA 2.299 64.487 62.300 -0.188 0.000 1.032 324 V CB -1.054 30.517 31.823 -0.419 0.000 0.645 324 V HN 0.937 nan 8.190 nan 0.000 0.447 325 E N 0.421 120.600 120.200 -0.036 0.000 2.086 325 E HA -0.271 4.079 4.350 -0.000 0.000 0.200 325 E C 2.210 178.824 176.600 0.024 0.000 1.012 325 E CA 1.913 58.346 56.400 0.056 0.000 0.812 325 E CB -0.344 29.400 29.700 0.072 0.000 0.743 325 E HN 0.904 nan 8.360 nan 0.000 0.453 326 E N -0.341 119.860 120.200 0.002 0.000 2.285 326 E HA 0.009 4.359 4.350 -0.000 0.000 0.194 326 E C 1.710 178.308 176.600 -0.004 0.000 0.997 326 E CA 0.991 57.391 56.400 0.000 0.000 0.845 326 E CB 0.089 29.787 29.700 -0.003 0.000 0.782 326 E HN 0.214 nan 8.360 nan 0.000 0.491 327 A N 0.901 123.712 122.820 -0.015 0.000 2.035 327 A HA 0.164 4.484 4.320 -0.000 0.000 0.208 327 A C 2.001 179.577 177.584 -0.013 0.000 1.206 327 A CA -0.010 52.017 52.037 -0.017 0.000 0.773 327 A CB -0.167 18.816 19.000 -0.029 0.000 0.878 327 A HN 0.213 nan 8.150 nan 0.000 0.469 328 I N 1.062 121.622 120.570 -0.017 0.000 2.399 328 I HA -0.180 3.989 4.170 -0.000 0.000 0.254 328 I C 2.194 178.317 176.117 0.009 0.000 1.146 328 I CA 1.417 62.713 61.300 -0.007 0.000 1.412 328 I CB -0.389 37.615 38.000 0.007 0.000 1.076 328 I HN 0.248 nan 8.210 nan 0.000 0.432 329 G N -0.658 108.149 108.800 0.011 0.000 2.432 329 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.219 329 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.219 329 G C 1.379 176.287 174.900 0.014 0.000 1.135 329 G CA 1.047 46.154 45.100 0.012 0.000 0.767 329 G HN 0.422 nan 8.290 nan 0.000 0.550 330 D N 0.322 120.728 120.400 0.010 0.000 2.389 330 D HA 0.230 4.869 4.640 -0.000 0.000 0.206 330 D C 1.317 177.625 176.300 0.013 0.000 1.055 330 D CA 0.149 54.156 54.000 0.011 0.000 0.856 330 D CB 0.501 41.306 40.800 0.008 0.000 0.957 330 D HN 0.265 nan 8.370 nan 0.000 0.509 331 A N 1.330 124.156 122.820 0.011 0.000 2.409 331 A HA 0.094 4.414 4.320 -0.000 0.000 0.267 331 A C 0.840 178.436 177.584 0.021 0.000 1.127 331 A CA -0.145 51.898 52.037 0.009 0.000 0.795 331 A CB 0.554 19.554 19.000 -0.001 0.000 1.061 331 A HN -0.100 nan 8.150 nan 0.000 0.502 332 D N 1.312 121.725 120.400 0.022 0.000 2.249 332 D HA 0.096 4.736 4.640 -0.000 0.000 0.205 332 D C 0.299 176.618 176.300 0.032 0.000 0.962 332 D CA 1.366 55.385 54.000 0.032 0.000 0.860 332 D CB 0.240 41.058 40.800 0.029 0.000 0.955 332 D HN 0.590 nan 8.370 nan 0.000 0.505 333 I N 0.882 121.464 120.570 0.019 0.000 2.607 333 I HA 0.248 4.418 4.170 -0.000 0.000 0.290 333 I C -1.011 175.109 176.117 0.005 0.000 1.129 333 I CA -0.857 60.453 61.300 0.017 0.000 1.042 333 I CB 2.912 40.920 38.000 0.012 0.000 1.242 333 I HN -0.418 nan 8.210 nan 0.000 0.421 334 V N 6.295 126.213 119.914 0.008 0.000 2.443 334 V HA 0.478 4.598 4.120 -0.000 0.000 0.293 334 V C -0.278 175.816 176.094 -0.001 0.000 1.021 334 V CA -0.637 61.661 62.300 -0.004 0.000 0.848 334 V CB 2.206 34.028 31.823 -0.002 0.000 0.998 334 V HN 0.468 nan 8.190 nan 0.000 0.424 335 V N 3.592 123.500 119.914 -0.009 0.000 2.487 335 V HA 0.584 4.704 4.120 -0.000 0.000 0.298 335 V C 0.242 176.333 176.094 -0.005 0.000 1.028 335 V CA -0.553 61.746 62.300 -0.002 0.000 0.860 335 V CB 2.162 33.983 31.823 -0.004 0.000 0.991 335 V HN 0.961 nan 8.190 nan 0.000 0.427 336 T N 1.119 115.675 114.554 0.004 0.000 2.795 336 T HA 0.755 5.105 4.350 -0.000 0.000 0.282 336 T C 0.175 174.881 174.700 0.011 0.000 0.980 336 T CA -0.095 62.007 62.100 0.003 0.000 1.012 336 T CB 1.826 70.697 68.868 0.006 0.000 0.936 336 T HN 1.064 nan 8.240 nan 0.000 0.457 337 A N 2.235 125.060 122.820 0.008 0.000 2.676 337 A HA 0.464 4.784 4.320 -0.000 0.000 0.258 337 A C 1.376 178.966 177.584 0.010 0.000 0.898 337 A CA 0.056 52.099 52.037 0.009 0.000 1.087 337 A CB -0.246 18.754 19.000 -0.001 0.000 1.214 337 A HN 0.985 nan 8.150 nan 0.000 0.474 338 T N -4.593 109.971 114.554 0.016 0.000 3.033 338 T HA 0.394 4.744 4.350 -0.000 0.000 0.248 338 T C 1.585 176.299 174.700 0.023 0.000 1.040 338 T CA 1.193 63.304 62.100 0.018 0.000 1.133 338 T CB -0.100 68.778 68.868 0.016 0.000 0.895 338 T HN 1.835 nan 8.240 nan 0.000 0.465 339 G N 1.580 110.400 108.800 0.032 0.000 2.136 339 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.242 339 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.242 339 G C -0.143 174.789 174.900 0.052 0.000 0.989 339 G CA 0.151 45.278 45.100 0.044 0.000 0.682 339 G HN 0.832 nan 8.290 nan 0.000 0.522 340 N N 0.085 118.811 118.700 0.043 0.000 2.380 340 N HA 0.604 5.344 4.740 -0.000 0.000 0.290 340 N C 0.050 175.580 175.510 0.033 0.000 1.236 340 N CA -0.525 52.545 53.050 0.033 0.000 0.780 340 N CB 1.296 39.795 38.487 0.019 0.000 1.438 340 N HN 0.501 nan 8.380 nan 0.000 0.491 341 K N -0.048 120.362 120.400 0.017 0.000 2.109 341 K HA 0.400 4.720 4.320 -0.000 0.000 0.243 341 K C -0.971 175.633 176.600 0.007 0.000 1.006 341 K CA -0.313 55.980 56.287 0.009 0.000 0.917 341 K CB 0.566 33.058 32.500 -0.014 0.000 1.081 341 K HN 0.448 nan 8.250 nan 0.000 0.468 342 D N 0.603 121.008 120.400 0.009 0.000 2.699 342 D HA -0.138 4.502 4.640 -0.000 0.000 0.239 342 D C 0.715 177.038 176.300 0.038 0.000 1.136 342 D CA 0.531 54.544 54.000 0.021 0.000 0.668 342 D CB -0.883 39.925 40.800 0.014 0.000 1.060 342 D HN 0.496 nan 8.370 nan 0.000 0.429 343 I N -0.860 119.725 120.570 0.025 0.000 2.400 343 I HA -0.023 4.147 4.170 -0.000 0.000 0.248 343 I C 1.308 177.417 176.117 -0.014 0.000 1.109 343 I CA 0.834 62.133 61.300 -0.001 0.000 1.425 343 I CB -0.065 37.926 38.000 -0.015 0.000 1.094 343 I HN 0.127 nan 8.210 nan 0.000 0.425 344 I N 3.115 123.712 120.570 0.044 0.000 2.466 344 I HA 0.279 4.449 4.170 -0.000 0.000 0.279 344 I C -0.044 176.183 176.117 0.182 0.000 1.033 344 I CA -0.374 60.990 61.300 0.107 0.000 1.123 344 I CB 1.231 39.248 38.000 0.029 0.000 1.237 344 I HN -0.042 nan 8.210 nan 0.000 0.460 345 M N 4.213 124.025 119.600 0.353 0.000 2.245 345 M HA 0.233 4.713 4.480 -0.000 0.000 0.292 345 M C 1.357 177.647 176.300 -0.017 0.000 1.176 345 M CA -0.672 54.669 55.300 0.068 0.000 1.035 345 M CB 0.768 33.333 32.600 -0.058 0.000 1.440 345 M HN 0.415 nan 8.290 nan 0.000 0.494 346 L N 1.301 122.484 121.223 -0.067 0.000 2.131 346 L HA -0.142 4.198 4.340 -0.000 0.000 0.210 346 L C 2.162 178.951 176.870 -0.134 0.000 1.092 346 L CA 1.880 56.679 54.840 -0.068 0.000 0.759 346 L CB -0.499 41.531 42.059 -0.047 0.000 0.903 346 L HN 0.659 nan 8.230 nan 0.000 0.435 347 E N -0.642 119.427 120.200 -0.217 0.000 2.033 347 E HA -0.310 4.040 4.350 -0.000 0.000 0.199 347 E C 2.042 178.505 176.600 -0.228 0.000 1.011 347 E CA 2.258 58.492 56.400 -0.277 0.000 0.815 347 E CB -0.347 29.110 29.700 -0.405 0.000 0.755 347 E HN 0.731 nan 8.360 nan 0.000 0.451 348 H N 0.142 119.172 119.070 -0.067 0.000 2.319 348 H HA -0.117 4.439 4.556 -0.000 0.000 0.299 348 H C 2.281 177.571 175.328 -0.064 0.000 1.092 348 H CA 1.426 57.441 56.048 -0.056 0.000 1.302 348 H CB -0.126 29.614 29.762 -0.037 0.000 1.373 348 H HN 0.156 nan 8.280 nan 0.000 0.497 349 I N 0.774 121.373 120.570 0.047 0.000 2.315 349 I HA -0.220 3.950 4.170 -0.000 0.000 0.248 349 I C 2.043 178.087 176.117 -0.122 0.000 1.117 349 I CA 1.263 62.577 61.300 0.023 0.000 1.404 349 I CB -0.181 37.871 38.000 0.086 0.000 1.071 349 I HN 0.177 nan 8.210 nan 0.000 0.419 350 K N 0.875 121.078 120.400 -0.329 0.000 2.283 350 K HA -0.051 4.269 4.320 -0.000 0.000 0.202 350 K C 2.028 178.435 176.600 -0.322 0.000 1.048 350 K CA 1.158 57.066 56.287 -0.632 0.000 0.948 350 K CB -0.109 32.042 32.500 -0.581 0.000 0.742 350 K HN 0.318 nan 8.250 nan 0.000 0.458 351 A N 0.753 123.478 122.820 -0.158 0.000 2.169 351 A HA 0.068 4.388 4.320 -0.000 0.000 0.212 351 A C 0.893 178.463 177.584 -0.024 0.000 1.153 351 A CA 0.193 52.189 52.037 -0.069 0.000 0.756 351 A CB -0.187 18.801 19.000 -0.021 0.000 0.813 351 A HN 0.138 nan 8.150 nan 0.000 0.471 352 M N 1.267 120.862 119.600 -0.008 0.000 2.243 352 M HA 0.173 4.653 4.480 -0.000 0.000 0.341 352 M C 0.460 176.788 176.300 0.046 0.000 1.130 352 M CA -0.177 55.142 55.300 0.031 0.000 1.162 352 M CB 0.695 33.329 32.600 0.056 0.000 1.497 352 M HN 0.353 nan 8.290 nan 0.000 0.456 353 K N 0.629 121.061 120.400 0.052 0.000 2.286 353 K HA 0.112 4.432 4.320 -0.000 0.000 0.256 353 K C -0.448 176.215 176.600 0.105 0.000 0.999 353 K CA -0.692 55.634 56.287 0.066 0.000 0.908 353 K CB 0.297 32.830 32.500 0.054 0.000 0.981 353 K HN 0.414 nan 8.250 nan 0.000 0.500 354 D N 0.488 120.962 120.400 0.123 0.000 2.443 354 D HA -0.063 4.576 4.640 -0.000 0.000 0.239 354 D C -0.010 176.443 176.300 0.255 0.000 1.136 354 D CA 0.675 54.793 54.000 0.197 0.000 0.879 354 D CB 0.073 40.986 40.800 0.189 0.000 1.195 354 D HN 0.763 nan 8.370 nan 0.000 0.443 355 H N -0.157 118.958 119.070 0.076 0.000 2.884 355 H HA -0.241 4.315 4.556 0.000 0.000 0.289 355 H C 0.241 175.604 175.328 0.060 0.000 1.142 355 H CA 0.387 56.474 56.048 0.065 0.000 1.158 355 H CB -1.376 28.414 29.762 0.047 0.000 1.325 355 H HN 0.457 nan 8.280 nan 0.000 0.366 356 A N 0.771 123.673 122.820 0.136 0.000 2.429 356 A HA 0.466 4.786 4.320 -0.000 0.000 0.242 356 A C 0.715 178.345 177.584 0.076 0.000 1.088 356 A CA 0.135 52.227 52.037 0.093 0.000 0.784 356 A CB 0.494 19.540 19.000 0.077 0.000 1.038 356 A HN 0.313 nan 8.150 nan 0.000 0.501 357 I N 0.158 120.764 120.570 0.060 0.000 2.474 357 I HA 0.448 4.618 4.170 -0.000 0.000 0.294 357 I C -0.780 175.365 176.117 0.046 0.000 1.005 357 I CA -0.529 60.803 61.300 0.052 0.000 1.113 357 I CB 1.792 39.819 38.000 0.045 0.000 1.289 357 I HN 0.550 nan 8.210 nan 0.000 0.436 358 L N 5.776 127.028 121.223 0.049 0.000 2.409 358 L HA 0.952 5.292 4.340 -0.000 0.000 0.272 358 L C -0.527 176.368 176.870 0.041 0.000 0.980 358 L CA 0.175 55.039 54.840 0.041 0.000 0.826 358 L CB 1.763 43.847 42.059 0.042 0.000 1.268 358 L HN 0.649 nan 8.230 nan 0.000 0.407 359 G N 2.530 111.350 108.800 0.033 0.000 2.684 359 G HA2 0.431 4.391 3.960 -0.000 0.000 0.290 359 G HA3 0.431 4.391 3.960 -0.000 0.000 0.290 359 G C -2.083 172.837 174.900 0.034 0.000 1.425 359 G CA -0.789 44.334 45.100 0.039 0.000 0.822 359 G HN 0.744 nan 8.290 nan 0.000 0.482 360 N N -0.488 118.238 118.700 0.043 0.000 2.314 360 N HA 0.503 5.243 4.740 -0.000 0.000 0.294 360 N C -0.090 175.446 175.510 0.045 0.000 1.029 360 N CA -0.783 52.292 53.050 0.041 0.000 0.845 360 N CB 2.006 40.522 38.487 0.048 0.000 1.321 360 N HN 0.340 nan 8.380 nan 0.000 0.481 361 I N 1.467 122.059 120.570 0.037 0.000 4.154 361 I HA 0.457 4.627 4.170 -0.000 0.000 0.334 361 I C 0.923 177.063 176.117 0.038 0.000 1.371 361 I CA -0.326 60.997 61.300 0.038 0.000 1.110 361 I CB 0.011 38.033 38.000 0.036 0.000 1.085 361 I HN 0.668 nan 8.210 nan 0.000 0.398 362 G N -0.678 108.143 108.800 0.036 0.000 2.699 362 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.246 362 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.246 362 G C 0.476 175.400 174.900 0.040 0.000 1.219 362 G CA 0.107 45.229 45.100 0.037 0.000 0.866 362 G HN 0.396 nan 8.290 nan 0.000 0.572 363 H N -0.284 118.712 119.070 -0.124 0.000 2.423 363 H HA 0.105 4.661 4.556 -0.000 0.000 0.297 363 H C 0.080 175.183 175.328 -0.374 0.000 1.075 363 H CA 0.762 56.642 56.048 -0.280 0.000 1.342 363 H CB -0.049 29.458 29.762 -0.425 0.000 1.395 363 H HN 0.254 nan 8.280 nan 0.000 0.530 364 F N 0.022 119.877 119.950 -0.158 0.000 2.575 364 F HA 0.176 4.703 4.527 -0.000 0.000 0.330 364 F C 0.980 176.730 175.800 -0.083 0.000 1.056 364 F CA -1.135 56.745 58.000 -0.199 0.000 0.964 364 F CB 0.899 39.788 39.000 -0.184 0.000 1.258 364 F HN 0.084 nan 8.300 nan 0.000 0.484 365 D N -0.269 120.217 120.400 0.144 0.000 2.396 365 D HA -0.085 4.555 4.640 -0.000 0.000 0.255 365 D C 0.217 176.545 176.300 0.047 0.000 1.224 365 D CA 0.288 54.336 54.000 0.079 0.000 0.894 365 D CB -0.745 40.092 40.800 0.062 0.000 0.939 365 D HN 0.553 nan 8.370 nan 0.000 0.506 366 N N -0.076 118.654 118.700 0.050 0.000 2.203 366 N HA -0.040 4.700 4.740 -0.000 0.000 0.207 366 N C 0.980 176.503 175.510 0.022 0.000 1.130 366 N CA -0.255 52.803 53.050 0.013 0.000 0.861 366 N CB 0.020 38.496 38.487 -0.020 0.000 1.005 366 N HN 0.211 nan 8.380 nan 0.000 0.507 367 E N 0.550 120.773 120.200 0.039 0.000 2.072 367 E HA 0.037 4.387 4.350 -0.000 0.000 0.191 367 E C 0.187 176.800 176.600 0.022 0.000 0.985 367 E CA 0.719 57.138 56.400 0.031 0.000 0.801 367 E CB 0.286 30.008 29.700 0.037 0.000 0.750 367 E HN 0.407 nan 8.360 nan 0.000 0.452 368 I N 1.482 122.064 120.570 0.020 0.000 2.488 368 I HA 0.013 4.183 4.170 -0.000 0.000 0.299 368 I C 0.334 176.449 176.117 -0.003 0.000 0.984 368 I CA -0.458 60.847 61.300 0.010 0.000 1.250 368 I CB 1.101 39.103 38.000 0.003 0.000 1.389 368 I HN -0.217 nan 8.210 nan 0.000 0.488 369 D N 5.665 126.059 120.400 -0.011 0.000 2.671 369 D HA 0.063 4.703 4.640 -0.000 0.000 0.228 369 D C 1.079 177.337 176.300 -0.071 0.000 1.102 369 D CA 0.177 54.158 54.000 -0.031 0.000 1.044 369 D CB 0.392 41.177 40.800 -0.026 0.000 1.113 369 D HN 0.321 nan 8.370 nan 0.000 0.480 370 M N 0.629 120.190 119.600 -0.064 0.000 2.132 370 M HA -0.083 4.397 4.480 -0.000 0.000 0.263 370 M C 2.093 178.338 176.300 -0.092 0.000 1.065 370 M CA 0.747 55.988 55.300 -0.098 0.000 1.122 370 M CB -1.123 31.457 32.600 -0.035 0.000 1.365 370 M HN 0.358 nan 8.290 nan 0.000 0.411 371 A N 0.766 123.558 122.820 -0.046 0.000 1.865 371 A HA -0.072 4.248 4.320 -0.000 0.000 0.217 371 A C 2.465 180.024 177.584 -0.042 0.000 1.191 371 A CA 2.231 54.251 52.037 -0.029 0.000 0.623 371 A CB -1.599 17.392 19.000 -0.015 0.000 0.826 371 A HN 0.502 nan 8.150 nan 0.000 0.444 372 G N -0.359 108.412 108.800 -0.050 0.000 2.469 372 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.219 372 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.219 372 G C 1.499 176.354 174.900 -0.075 0.000 1.150 372 G CA 1.350 46.421 45.100 -0.048 0.000 0.763 372 G HN 0.527 nan 8.290 nan 0.000 0.561 373 L N 0.524 121.654 121.223 -0.155 0.000 2.056 373 L HA 0.090 4.430 4.340 -0.000 0.000 0.207 373 L C 2.586 179.230 176.870 -0.377 0.000 1.078 373 L CA 2.067 56.717 54.840 -0.316 0.000 0.749 373 L CB -0.609 41.117 42.059 -0.554 0.000 0.901 373 L HN 0.342 nan 8.230 nan 0.000 0.433 374 E N -0.408 119.647 120.200 -0.242 0.000 2.106 374 E HA -0.222 4.128 4.350 -0.000 0.000 0.192 374 E C 2.082 178.713 176.600 0.052 0.000 0.984 374 E CA 1.320 57.702 56.400 -0.030 0.000 0.806 374 E CB -0.162 29.574 29.700 0.061 0.000 0.750 374 E HN 0.559 nan 8.360 nan 0.000 0.458 375 R N 0.711 121.221 120.500 0.017 0.000 2.299 375 R HA 0.039 4.379 4.340 -0.000 0.000 0.197 375 R C 1.866 178.193 176.300 0.046 0.000 0.971 375 R CA 1.071 57.194 56.100 0.037 0.000 1.030 375 R CB -0.119 30.195 30.300 0.023 0.000 0.932 375 R HN 0.067 nan 8.270 nan 0.000 0.477 376 S N -0.070 115.656 115.700 0.043 0.000 2.399 376 S HA 0.004 4.474 4.470 -0.000 0.000 0.231 376 S C 1.718 176.383 174.600 0.109 0.000 1.022 376 S CA 1.011 59.261 58.200 0.083 0.000 0.983 376 S CB -0.289 62.991 63.200 0.133 0.000 0.803 376 S HN 0.672 nan 8.310 nan 0.000 0.480 377 G N 0.861 109.726 108.800 0.109 0.000 2.232 377 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.226 377 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.226 377 G C 0.331 175.294 174.900 0.105 0.000 0.996 377 G CA 0.000 45.163 45.100 0.104 0.000 0.626 377 G HN 1.395 nan 8.290 nan 0.000 0.509 378 A N 0.835 123.715 122.820 0.100 0.000 2.555 378 A HA 0.534 4.854 4.320 -0.000 0.000 0.233 378 A C 0.999 178.648 177.584 0.108 0.000 1.060 378 A CA 1.664 53.695 52.037 -0.009 0.000 0.759 378 A CB -0.003 18.809 19.000 -0.313 0.000 0.995 378 A HN 1.828 nan 8.150 nan 0.000 0.506 379 T N 0.460 115.000 114.554 -0.023 0.000 2.829 379 T HA 0.594 4.944 4.350 -0.000 0.000 0.282 379 T C -0.124 174.373 174.700 -0.339 0.000 0.990 379 T CA -0.765 61.268 62.100 -0.112 0.000 1.028 379 T CB 1.152 69.968 68.868 -0.087 0.000 0.951 379 T HN 0.747 nan 8.240 nan 0.000 0.460 380 R N 1.854 122.008 120.500 -0.576 0.000 2.368 380 R HA 0.619 4.958 4.340 -0.000 0.000 0.302 380 R C -1.544 174.435 176.300 -0.534 0.000 1.002 380 R CA -0.690 54.821 56.100 -0.982 0.000 0.929 380 R CB 1.015 30.515 30.300 -1.333 0.000 1.073 380 R HN 0.607 nan 8.270 nan 0.000 0.464 381 V N 5.071 124.698 119.914 -0.479 0.000 2.443 381 V HA 0.180 4.300 4.120 -0.000 0.000 0.293 381 V C -0.104 175.833 176.094 -0.262 0.000 1.021 381 V CA -1.038 61.089 62.300 -0.288 0.000 0.848 381 V CB 1.431 33.141 31.823 -0.189 0.000 0.998 381 V HN 0.796 nan 8.190 nan 0.000 0.424 382 N N 3.363 121.939 118.700 -0.205 0.000 2.452 382 N HA 0.101 4.841 4.740 -0.000 0.000 0.266 382 N C 0.811 176.259 175.510 -0.102 0.000 1.209 382 N CA -0.023 52.940 53.050 -0.145 0.000 0.929 382 N CB 1.909 40.333 38.487 -0.106 0.000 1.063 382 N HN 0.440 nan 8.380 nan 0.000 0.472 383 V N 4.360 124.222 119.914 -0.086 0.000 2.346 383 V HA -0.067 4.053 4.120 -0.000 0.000 0.244 383 V C 0.784 176.853 176.094 -0.042 0.000 1.037 383 V CA 1.435 63.702 62.300 -0.055 0.000 1.029 383 V CB -0.465 31.333 31.823 -0.041 0.000 0.663 383 V HN 0.832 nan 8.190 nan 0.000 0.454 384 K N -1.512 118.861 120.400 -0.045 0.000 2.680 384 K HA 0.372 4.692 4.320 -0.000 0.000 0.295 384 K C -3.329 173.240 176.600 -0.052 0.000 1.052 384 K CA -1.849 54.416 56.287 -0.036 0.000 0.863 384 K CB 0.725 33.211 32.500 -0.023 0.000 1.549 384 K HN -0.225 nan 8.250 nan 0.000 0.391 385 P HA -0.054 nan 4.420 nan 0.000 0.259 385 P C -0.880 176.343 177.300 -0.128 0.000 1.163 385 P CA 0.949 63.999 63.100 -0.082 0.000 0.760 385 P CB 0.255 31.927 31.700 -0.047 0.000 0.762 386 Q N -0.824 118.846 119.800 -0.216 0.000 2.416 386 Q HA -0.152 4.188 4.340 -0.000 0.000 0.235 386 Q C -0.622 175.308 176.000 -0.116 0.000 0.773 386 Q CA 1.019 56.663 55.803 -0.265 0.000 1.286 386 Q CB -2.085 26.466 28.738 -0.312 0.000 1.556 386 Q HN 0.271 nan 8.270 nan 0.000 0.650 387 V N 0.925 120.793 119.914 -0.077 0.000 2.443 387 V HA 0.533 4.653 4.120 -0.000 0.000 0.293 387 V C -0.391 175.675 176.094 -0.046 0.000 1.021 387 V CA -0.751 61.528 62.300 -0.035 0.000 0.848 387 V CB 2.086 33.893 31.823 -0.026 0.000 0.998 387 V HN 0.076 nan 8.190 nan 0.000 0.424 388 D N 3.942 124.331 120.400 -0.019 0.000 2.780 388 D HA 0.452 5.092 4.640 -0.000 0.000 0.242 388 D C -0.980 175.265 176.300 -0.091 0.000 1.135 388 D CA -0.440 53.500 54.000 -0.100 0.000 0.859 388 D CB 3.358 44.108 40.800 -0.083 0.000 1.530 388 D HN 0.366 nan 8.370 nan 0.000 0.493 389 L N 2.713 123.808 121.223 -0.214 0.000 2.264 389 L HA 0.364 4.704 4.340 -0.000 0.000 0.287 389 L C -1.275 175.433 176.870 -0.270 0.000 1.039 389 L CA -0.382 54.352 54.840 -0.176 0.000 0.829 389 L CB 0.410 42.361 42.059 -0.179 0.000 1.211 389 L HN 0.276 nan 8.230 nan 0.000 0.427 390 W N 4.026 125.229 121.300 -0.163 0.000 2.351 390 W HA 0.528 5.188 4.660 -0.000 0.000 0.311 390 W C 0.121 176.445 176.519 -0.325 0.000 1.168 390 W CA -0.310 56.888 57.345 -0.244 0.000 1.200 390 W CB 1.573 30.875 29.460 -0.264 0.000 1.221 390 W HN 0.351 nan 8.180 nan 0.000 0.519 391 T N 4.340 118.799 114.554 -0.158 0.000 2.807 391 T HA 0.449 4.799 4.350 -0.000 0.000 0.279 391 T C -1.056 173.468 174.700 -0.293 0.000 0.993 391 T CA -0.618 61.383 62.100 -0.165 0.000 0.970 391 T CB 0.480 69.312 68.868 -0.060 0.000 0.950 391 T HN -0.045 nan 8.240 nan 0.000 0.441 392 F N 1.748 121.758 119.950 0.101 0.000 2.391 392 F HA 0.439 4.966 4.527 -0.001 0.000 0.359 392 F C 1.579 177.414 175.800 0.059 0.000 1.122 392 F CA -0.878 57.170 58.000 0.079 0.000 1.120 392 F CB 0.926 39.963 39.000 0.062 0.000 1.142 392 F HN 0.769 nan 8.300 nan 0.000 0.483 393 G N 1.979 110.891 108.800 0.187 0.000 2.469 393 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.219 393 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.219 393 G C 1.341 176.314 174.900 0.122 0.000 1.150 393 G CA 1.131 46.306 45.100 0.125 0.000 0.763 393 G HN 0.699 nan 8.290 nan 0.000 0.561 394 D N 0.257 120.740 120.400 0.138 0.000 2.312 394 D HA -0.085 4.555 4.640 -0.000 0.000 0.211 394 D C 2.109 178.452 176.300 0.071 0.000 0.964 394 D CA 1.737 55.790 54.000 0.087 0.000 0.877 394 D CB -0.715 40.124 40.800 0.067 0.000 0.924 394 D HN 0.480 nan 8.370 nan 0.000 0.515 395 T N -5.400 109.214 114.554 0.101 0.000 2.954 395 T HA 0.413 4.763 4.350 -0.000 0.000 0.252 395 T C 1.763 176.523 174.700 0.101 0.000 0.983 395 T CA 0.453 62.599 62.100 0.077 0.000 0.941 395 T CB 0.401 69.296 68.868 0.046 0.000 1.141 395 T HN 0.301 nan 8.240 nan 0.000 0.500 396 G N 2.109 110.993 108.800 0.139 0.000 2.162 396 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.260 396 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.260 396 G C 0.106 175.103 174.900 0.161 0.000 0.976 396 G CA 0.034 45.212 45.100 0.130 0.000 0.655 396 G HN 0.700 nan 8.290 nan 0.000 0.533 397 R N 0.435 121.064 120.500 0.216 0.000 2.410 397 R HA 0.585 4.925 4.340 -0.000 0.000 0.288 397 R C -0.204 176.264 176.300 0.281 0.000 1.051 397 R CA 0.014 56.256 56.100 0.237 0.000 1.021 397 R CB 1.110 31.533 30.300 0.205 0.000 1.032 397 R HN 0.190 nan 8.270 nan 0.000 0.481 398 S N 2.863 118.677 115.700 0.191 0.000 2.503 398 S HA 0.516 4.986 4.470 -0.000 0.000 0.301 398 S C -0.580 174.027 174.600 0.010 0.000 1.087 398 S CA -0.756 57.475 58.200 0.051 0.000 1.042 398 S CB 1.321 64.441 63.200 -0.133 0.000 1.043 398 S HN 0.297 nan 8.310 nan 0.000 0.489 399 I N 2.639 123.250 120.570 0.069 0.000 2.433 399 I HA 0.411 4.581 4.170 -0.000 0.000 0.292 399 I C -0.253 175.906 176.117 0.071 0.000 1.001 399 I CA -1.126 60.230 61.300 0.094 0.000 1.119 399 I CB 1.294 39.410 38.000 0.194 0.000 1.289 399 I HN 0.607 nan 8.210 nan 0.000 0.438 400 I N 6.255 126.843 120.570 0.029 0.000 2.363 400 I HA 0.154 4.324 4.170 -0.000 0.000 0.292 400 I C -0.060 176.117 176.117 0.099 0.000 1.075 400 I CA -0.224 61.104 61.300 0.046 0.000 1.333 400 I CB 0.536 38.548 38.000 0.020 0.000 1.415 400 I HN 0.147 nan 8.210 nan 0.000 0.502 401 V N 7.985 127.997 119.914 0.163 0.000 2.398 401 V HA 0.372 4.492 4.120 -0.000 0.000 0.286 401 V C 0.174 176.336 176.094 0.114 0.000 1.026 401 V CA -0.601 61.793 62.300 0.158 0.000 0.868 401 V CB 1.610 33.577 31.823 0.240 0.000 0.982 401 V HN 0.473 nan 8.190 nan 0.000 0.443 402 L N 3.807 125.076 121.223 0.076 0.000 2.289 402 L HA 0.418 4.758 4.340 -0.000 0.000 0.285 402 L C 1.078 177.980 176.870 0.053 0.000 1.049 402 L CA -0.246 54.622 54.840 0.047 0.000 0.804 402 L CB 1.470 43.552 42.059 0.038 0.000 1.195 402 L HN 0.834 nan 8.230 nan 0.000 0.428 403 S N 1.473 117.173 115.700 -0.000 0.000 3.476 403 S HA -0.210 4.260 4.470 -0.000 0.000 0.309 403 S C 0.542 175.230 174.600 0.147 0.000 1.222 403 S CA 1.238 59.425 58.200 -0.021 0.000 0.922 403 S CB -1.198 62.052 63.200 0.085 0.000 1.023 403 S HN 0.949 nan 8.310 nan 0.000 0.591 404 E N -1.582 118.704 120.200 0.143 0.000 2.297 404 E HA -0.233 4.117 4.350 -0.000 0.000 0.228 404 E C 0.894 177.606 176.600 0.187 0.000 1.213 404 E CA 0.656 57.185 56.400 0.215 0.000 0.712 404 E CB -2.157 27.723 29.700 0.301 0.000 1.202 404 E HN 1.443 nan 8.360 nan 0.000 0.376 405 G N -0.380 108.500 108.800 0.134 0.000 2.179 405 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.260 405 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.260 405 G C 0.344 175.312 174.900 0.114 0.000 0.977 405 G CA 0.618 45.776 45.100 0.096 0.000 0.641 405 G HN 0.272 nan 8.290 nan 0.000 0.533 406 R N -0.291 120.312 120.500 0.173 0.000 2.532 406 R HA 0.625 4.965 4.340 -0.000 0.000 0.272 406 R C 0.905 177.291 176.300 0.143 0.000 1.032 406 R CA -0.724 55.477 56.100 0.168 0.000 1.089 406 R CB 0.331 30.788 30.300 0.261 0.000 1.098 406 R HN 0.450 nan 8.270 nan 0.000 0.526 407 L N 2.362 123.649 121.223 0.108 0.000 2.700 407 L HA 0.021 4.361 4.340 -0.000 0.000 0.276 407 L C 0.799 177.717 176.870 0.080 0.000 1.200 407 L CA 0.311 55.198 54.840 0.078 0.000 0.951 407 L CB -0.790 41.306 42.059 0.062 0.000 1.226 407 L HN 0.694 nan 8.230 nan 0.000 0.489 408 L N 1.315 122.577 121.223 0.064 0.000 2.270 408 L HA 0.081 4.421 4.340 -0.000 0.000 0.210 408 L C 2.112 179.009 176.870 0.045 0.000 1.104 408 L CA 1.275 56.150 54.840 0.059 0.000 0.804 408 L CB -1.055 41.034 42.059 0.050 0.000 0.937 408 L HN 0.755 nan 8.230 nan 0.000 0.450 409 N N 1.338 120.058 118.700 0.033 0.000 2.120 409 N HA -0.212 4.528 4.740 -0.000 0.000 0.188 409 N C 1.716 177.236 175.510 0.017 0.000 1.024 409 N CA 2.236 55.307 53.050 0.035 0.000 0.852 409 N CB -0.945 37.571 38.487 0.047 0.000 1.003 409 N HN 0.511 nan 8.380 nan 0.000 0.424 410 L N -0.101 121.105 121.223 -0.028 0.000 2.131 410 L HA 0.162 4.502 4.340 -0.000 0.000 0.206 410 L C 2.683 179.588 176.870 0.058 0.000 1.087 410 L CA 1.118 55.935 54.840 -0.039 0.000 0.767 410 L CB -0.664 41.279 42.059 -0.193 0.000 0.917 410 L HN 0.322 nan 8.230 nan 0.000 0.441 411 G N -0.330 108.530 108.800 0.101 0.000 2.414 411 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.215 411 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.215 411 G C 1.349 176.286 174.900 0.062 0.000 1.188 411 G CA 0.541 45.731 45.100 0.150 0.000 0.783 411 G HN 0.302 nan 8.290 nan 0.000 0.537 412 N N 0.708 119.432 118.700 0.040 0.000 2.422 412 N HA 0.252 4.992 4.740 -0.000 0.000 0.181 412 N C 0.893 176.426 175.510 0.039 0.000 1.080 412 N CA 0.658 53.720 53.050 0.021 0.000 0.893 412 N CB 0.634 39.131 38.487 0.016 0.000 0.973 412 N HN 0.414 nan 8.380 nan 0.000 0.456 413 A N 0.069 122.921 122.820 0.054 0.000 4.015 413 A HA 0.403 4.723 4.320 -0.000 0.000 0.233 413 A C 0.736 178.368 177.584 0.080 0.000 0.909 413 A CA -0.040 52.038 52.037 0.068 0.000 0.683 413 A CB -0.060 18.983 19.000 0.071 0.000 1.540 413 A HN 0.114 nan 8.150 nan 0.000 0.809 414 T N -2.342 112.268 114.554 0.093 0.000 3.092 414 T HA 0.504 4.854 4.350 -0.000 0.000 0.258 414 T C 1.183 175.921 174.700 0.062 0.000 1.031 414 T CA 1.271 63.428 62.100 0.095 0.000 0.925 414 T CB -0.414 68.525 68.868 0.119 0.000 1.036 414 T HN 2.556 nan 8.240 nan 0.000 0.544 415 G N 1.606 110.430 108.800 0.040 0.000 2.553 415 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.242 415 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.242 415 G C -0.507 174.460 174.900 0.112 0.000 1.277 415 G CA -0.445 44.641 45.100 -0.023 0.000 0.910 415 G HN 0.776 nan 8.290 nan 0.000 0.576 416 H N 1.990 121.067 119.070 0.011 0.000 2.679 416 H HA 0.390 4.946 4.556 -0.000 0.000 0.369 416 H C -1.673 173.619 175.328 -0.060 0.000 1.178 416 H CA -0.712 55.331 56.048 -0.009 0.000 1.419 416 H CB 0.820 30.550 29.762 -0.053 0.000 1.458 416 H HN 0.446 nan 8.280 nan 0.000 0.605 417 P HA 0.039 nan 4.420 nan 0.000 0.276 417 P C 0.284 177.572 177.300 -0.021 0.000 1.252 417 P CA -0.313 62.715 63.100 -0.120 0.000 0.802 417 P CB 0.972 32.422 31.700 -0.416 0.000 1.035 418 S N 0.033 115.746 115.700 0.022 0.000 2.365 418 S HA -0.205 4.265 4.470 -0.000 0.000 0.225 418 S C 1.561 176.189 174.600 0.047 0.000 1.039 418 S CA 1.412 59.642 58.200 0.049 0.000 1.033 418 S CB -1.126 62.127 63.200 0.090 0.000 0.887 418 S HN 0.496 nan 8.310 nan 0.000 0.447 419 F N 1.827 121.758 119.950 -0.031 0.000 2.134 419 F HA -0.141 4.386 4.527 -0.000 0.000 0.299 419 F C 2.245 178.005 175.800 -0.068 0.000 1.097 419 F CA 0.990 58.986 58.000 -0.007 0.000 1.264 419 F CB -0.453 38.545 39.000 -0.004 0.000 1.001 419 F HN -0.041 nan 8.300 nan 0.000 0.479 420 V N 0.070 120.006 119.914 0.037 0.000 2.255 420 V HA -0.360 3.760 4.120 -0.000 0.000 0.247 420 V C 2.412 178.390 176.094 -0.193 0.000 1.051 420 V CA 1.907 64.165 62.300 -0.070 0.000 1.018 420 V CB -0.546 31.242 31.823 -0.058 0.000 0.641 420 V HN 0.274 nan 8.190 nan 0.000 0.445 421 M N -0.243 119.239 119.600 -0.197 0.000 2.358 421 M HA -0.116 4.364 4.480 -0.000 0.000 0.264 421 M C 2.434 178.482 176.300 -0.420 0.000 1.064 421 M CA 1.694 56.740 55.300 -0.423 0.000 1.093 421 M CB -1.748 30.591 32.600 -0.435 0.000 1.401 421 M HN 0.486 nan 8.290 nan 0.000 0.440 422 S N 0.746 116.303 115.700 -0.239 0.000 2.382 422 S HA -0.157 4.313 4.470 -0.000 0.000 0.228 422 S C 1.726 176.230 174.600 -0.158 0.000 1.027 422 S CA 1.638 59.769 58.200 -0.115 0.000 0.991 422 S CB -0.093 63.058 63.200 -0.081 0.000 0.823 422 S HN 0.461 nan 8.310 nan 0.000 0.469 423 N N 1.330 119.767 118.700 -0.439 0.000 2.043 423 N HA -0.027 4.713 4.740 -0.000 0.000 0.193 423 N C 2.007 177.408 175.510 -0.181 0.000 1.037 423 N CA 1.845 54.645 53.050 -0.417 0.000 0.851 423 N CB -0.723 37.470 38.487 -0.490 0.000 1.027 423 N HN 0.384 nan 8.380 nan 0.000 0.422 424 S N 0.187 115.762 115.700 -0.208 0.000 2.356 424 S HA -0.051 4.419 4.470 -0.000 0.000 0.223 424 S C 1.635 176.285 174.600 0.084 0.000 1.032 424 S CA 0.885 59.008 58.200 -0.129 0.000 1.005 424 S CB -0.395 62.622 63.200 -0.304 0.000 0.867 424 S HN 0.229 nan 8.310 nan 0.000 0.449 425 F N 1.876 121.821 119.950 -0.009 0.000 2.259 425 F HA 0.196 4.723 4.527 -0.000 0.000 0.298 425 F C 2.602 178.401 175.800 -0.003 0.000 1.088 425 F CA -0.242 57.758 58.000 0.000 0.000 1.358 425 F CB -1.495 37.500 39.000 -0.007 0.000 1.040 425 F HN 0.174 nan 8.300 nan 0.000 0.505 426 A N 0.507 123.432 122.820 0.175 0.000 1.908 426 A HA -0.256 4.064 4.320 -0.000 0.000 0.218 426 A C 2.076 179.710 177.584 0.084 0.000 1.181 426 A CA 2.186 54.288 52.037 0.107 0.000 0.627 426 A CB -1.188 17.870 19.000 0.096 0.000 0.818 426 A HN 0.437 nan 8.150 nan 0.000 0.445 427 N N -1.171 117.574 118.700 0.075 0.000 2.142 427 N HA -0.161 4.579 4.740 -0.000 0.000 0.186 427 N C 1.988 177.544 175.510 0.076 0.000 1.023 427 N CA 1.456 54.541 53.050 0.058 0.000 0.852 427 N CB -0.168 38.344 38.487 0.041 0.000 0.998 427 N HN 0.594 nan 8.380 nan 0.000 0.424 428 Q N 0.286 120.159 119.800 0.122 0.000 2.050 428 Q HA -0.072 4.268 4.340 -0.000 0.000 0.202 428 Q C 1.750 177.785 176.000 0.058 0.000 0.980 428 Q CA 1.681 57.551 55.803 0.111 0.000 0.840 428 Q CB -0.315 28.535 28.738 0.186 0.000 0.898 428 Q HN 0.252 nan 8.270 nan 0.000 0.424 429 T N 0.691 115.279 114.554 0.057 0.000 2.652 429 T HA -0.155 4.195 4.350 -0.000 0.000 0.267 429 T C 1.724 176.415 174.700 -0.015 0.000 1.039 429 T CA 1.564 63.670 62.100 0.010 0.000 1.153 429 T CB -0.351 68.527 68.868 0.017 0.000 0.863 429 T HN 0.269 nan 8.240 nan 0.000 0.428 430 I N 1.221 121.797 120.570 0.009 0.000 2.194 430 I HA -0.261 3.909 4.170 -0.000 0.000 0.246 430 I C 2.845 178.960 176.117 -0.004 0.000 1.093 430 I CA 1.319 62.619 61.300 0.001 0.000 1.355 430 I CB -0.435 37.582 38.000 0.028 0.000 1.046 430 I HN 0.228 nan 8.210 nan 0.000 0.413 431 A N -0.282 122.544 122.820 0.009 0.000 1.897 431 A HA -0.188 4.132 4.320 -0.000 0.000 0.215 431 A C 2.254 179.821 177.584 -0.029 0.000 1.181 431 A CA 1.024 53.061 52.037 -0.000 0.000 0.620 431 A CB -0.400 18.610 19.000 0.017 0.000 0.821 431 A HN 0.344 nan 8.150 nan 0.000 0.443 432 Q N 0.076 119.865 119.800 -0.019 0.000 2.029 432 Q HA -0.205 4.135 4.340 -0.000 0.000 0.209 432 Q C 2.148 178.151 176.000 0.005 0.000 0.999 432 Q CA 1.879 57.669 55.803 -0.021 0.000 0.857 432 Q CB -0.594 28.122 28.738 -0.036 0.000 0.926 432 Q HN 0.767 nan 8.270 nan 0.000 0.415 433 I N 0.962 121.513 120.570 -0.031 0.000 2.208 433 I HA -0.276 3.894 4.170 -0.000 0.000 0.245 433 I C 2.331 178.460 176.117 0.019 0.000 1.097 433 I CA 1.141 62.422 61.300 -0.032 0.000 1.363 433 I CB -0.290 37.590 38.000 -0.200 0.000 1.051 433 I HN 0.195 nan 8.210 nan 0.000 0.413 434 E N 0.411 120.612 120.200 0.002 0.000 2.031 434 E HA -0.211 4.139 4.350 -0.000 0.000 0.193 434 E C 2.169 178.744 176.600 -0.041 0.000 0.994 434 E CA 1.233 57.658 56.400 0.042 0.000 0.800 434 E CB -0.373 29.378 29.700 0.086 0.000 0.752 434 E HN 0.274 nan 8.360 nan 0.000 0.447 435 L N 0.432 121.538 121.223 -0.196 0.000 2.201 435 L HA -0.100 4.240 4.340 -0.000 0.000 0.212 435 L C 1.982 178.787 176.870 -0.108 0.000 1.105 435 L CA 1.287 55.900 54.840 -0.378 0.000 0.775 435 L CB -0.614 41.264 42.059 -0.302 0.000 0.913 435 L HN 0.329 nan 8.230 nan 0.000 0.440 436 W N -0.276 120.931 121.300 -0.156 0.000 2.480 436 W HA -0.152 4.508 4.660 -0.000 0.000 0.299 436 W C 2.050 178.527 176.519 -0.071 0.000 1.187 436 W CA 1.667 58.944 57.345 -0.114 0.000 1.347 436 W CB -0.095 29.299 29.460 -0.111 0.000 1.121 436 W HN 0.353 nan 8.180 nan 0.000 0.533 437 T N -1.403 113.067 114.554 -0.140 0.000 3.054 437 T HA 0.074 4.424 4.350 -0.000 0.000 0.259 437 T C 1.061 175.676 174.700 -0.143 0.000 1.092 437 T CA 0.630 62.609 62.100 -0.202 0.000 1.121 437 T CB -0.122 68.728 68.868 -0.029 0.000 0.912 437 T HN -0.016 nan 8.240 nan 0.000 0.489 438 K N 0.892 121.268 120.400 -0.039 0.000 2.646 438 K HA 0.353 4.672 4.320 -0.000 0.000 0.206 438 K C 1.432 178.125 176.600 0.154 0.000 1.069 438 K CA -0.282 56.043 56.287 0.064 0.000 1.067 438 K CB 0.156 32.752 32.500 0.161 0.000 0.807 438 K HN 0.155 nan 8.250 nan 0.000 0.482 439 N N 1.922 120.619 118.700 -0.006 0.000 2.132 439 N HA -0.230 4.510 4.740 -0.000 0.000 0.191 439 N C 0.628 176.211 175.510 0.123 0.000 1.015 439 N CA 1.618 54.684 53.050 0.026 0.000 0.864 439 N CB 0.207 38.633 38.487 -0.101 0.000 1.006 439 N HN 0.296 nan 8.380 nan 0.000 0.430 440 D N 0.728 121.151 120.400 0.038 0.000 2.182 440 D HA -0.147 4.493 4.640 -0.000 0.000 0.201 440 D C 1.211 177.523 176.300 0.020 0.000 0.986 440 D CA 0.999 55.011 54.000 0.020 0.000 0.847 440 D CB -0.235 40.552 40.800 -0.021 0.000 0.942 440 D HN 0.515 nan 8.370 nan 0.000 0.467 441 E N -0.997 119.202 120.200 -0.002 0.000 2.482 441 E HA -0.055 4.295 4.350 -0.000 0.000 0.196 441 E C -0.222 176.189 176.600 -0.314 0.000 1.047 441 E CA 0.245 56.538 56.400 -0.179 0.000 0.869 441 E CB 0.187 29.706 29.700 -0.301 0.000 0.836 441 E HN 0.376 nan 8.360 nan 0.000 0.520 442 Y N 0.590 120.830 120.300 -0.099 0.000 2.364 442 Y HA 0.227 4.777 4.550 -0.000 0.000 0.340 442 Y C 0.395 176.325 175.900 0.049 0.000 0.975 442 Y CA -1.284 56.739 58.100 -0.129 0.000 1.089 442 Y CB 1.251 39.568 38.460 -0.238 0.000 1.192 442 Y HN -0.176 nan 8.280 nan 0.000 0.454 443 D N 0.778 121.376 120.400 0.331 0.000 2.466 443 D HA 0.105 4.745 4.640 -0.000 0.000 0.262 443 D C -0.483 176.005 176.300 0.314 0.000 1.177 443 D CA -0.408 53.755 54.000 0.271 0.000 1.035 443 D CB 0.671 41.598 40.800 0.212 0.000 1.105 443 D HN 0.468 nan 8.370 nan 0.000 0.551 444 N N 1.333 120.149 118.700 0.193 0.000 2.819 444 N HA 0.127 4.867 4.740 -0.000 0.000 0.284 444 N C -0.502 175.080 175.510 0.120 0.000 1.196 444 N CA 0.306 53.443 53.050 0.146 0.000 1.114 444 N CB 0.134 38.659 38.487 0.063 0.000 1.437 444 N HN 0.289 nan 8.380 nan 0.000 0.518 445 E N -1.072 119.239 120.200 0.186 0.000 2.458 445 E HA 0.433 4.782 4.350 -0.000 0.000 0.278 445 E C -0.982 175.648 176.600 0.050 0.000 1.004 445 E CA -0.922 55.501 56.400 0.037 0.000 0.823 445 E CB 1.904 31.513 29.700 -0.151 0.000 1.396 445 E HN -0.098 nan 8.360 nan 0.000 0.463 446 V N 2.025 121.917 119.914 -0.037 0.000 2.432 446 V HA 0.315 4.434 4.120 -0.000 0.000 0.275 446 V C -0.993 175.044 176.094 -0.094 0.000 1.043 446 V CA -0.219 62.103 62.300 0.037 0.000 0.925 446 V CB -0.110 31.750 31.823 0.062 0.000 0.985 446 V HN 0.495 nan 8.190 nan 0.000 0.466 447 Y N 3.562 123.960 120.300 0.163 0.000 2.587 447 Y HA 0.710 5.260 4.550 -0.000 0.000 0.337 447 Y C 0.526 176.516 175.900 0.151 0.000 1.065 447 Y CA -0.994 57.215 58.100 0.182 0.000 1.126 447 Y CB 1.776 40.381 38.460 0.243 0.000 1.279 447 Y HN 0.455 nan 8.280 nan 0.000 0.489 448 R N 0.937 121.626 120.500 0.315 0.000 2.732 448 R HA 0.574 4.913 4.340 -0.000 0.000 0.278 448 R C -1.220 175.214 176.300 0.224 0.000 0.976 448 R CA -1.020 55.216 56.100 0.225 0.000 0.963 448 R CB 1.479 31.888 30.300 0.182 0.000 1.150 448 R HN 0.520 nan 8.270 nan 0.000 0.478 449 L N 2.709 124.027 121.223 0.158 0.000 2.439 449 L HA 0.234 4.573 4.340 -0.000 0.000 0.269 449 L C -1.793 175.136 176.870 0.098 0.000 1.179 449 L CA -1.748 53.161 54.840 0.116 0.000 0.828 449 L CB 0.101 42.197 42.059 0.061 0.000 1.106 449 L HN 0.284 nan 8.230 nan 0.000 0.467 450 P HA -0.002 nan 4.420 nan 0.000 0.268 450 P C 0.225 177.553 177.300 0.048 0.000 1.208 450 P CA -0.228 62.928 63.100 0.095 0.000 0.777 450 P CB 0.590 32.382 31.700 0.153 0.000 0.875 451 K N 1.727 122.199 120.400 0.119 0.000 2.103 451 K HA -0.233 4.087 4.320 -0.000 0.000 0.207 451 K C 1.960 178.616 176.600 0.093 0.000 1.048 451 K CA 1.370 57.730 56.287 0.122 0.000 0.930 451 K CB -0.308 32.290 32.500 0.163 0.000 0.716 451 K HN 0.647 nan 8.250 nan 0.000 0.444 452 H N 0.345 119.448 119.070 0.055 0.000 2.456 452 H HA -0.101 4.455 4.556 -0.000 0.000 0.296 452 H C 1.876 177.238 175.328 0.057 0.000 1.079 452 H CA 1.221 57.293 56.048 0.040 0.000 1.322 452 H CB -0.362 29.406 29.762 0.011 0.000 1.388 452 H HN 0.226 nan 8.280 nan 0.000 0.538 453 L N 0.651 121.547 121.223 -0.545 0.000 2.044 453 L HA -0.128 4.212 4.340 -0.000 0.000 0.205 453 L C 2.394 179.207 176.870 -0.095 0.000 1.075 453 L CA 1.325 55.978 54.840 -0.310 0.000 0.747 453 L CB -0.443 41.444 42.059 -0.287 0.000 0.903 453 L HN 0.124 nan 8.230 nan 0.000 0.435 454 D N 0.322 120.688 120.400 -0.057 0.000 2.133 454 D HA -0.221 4.419 4.640 -0.000 0.000 0.192 454 D C 2.150 178.445 176.300 -0.008 0.000 1.001 454 D CA 1.362 55.347 54.000 -0.024 0.000 0.844 454 D CB -0.064 40.731 40.800 -0.009 0.000 0.944 454 D HN 0.361 nan 8.370 nan 0.000 0.447 455 E N 0.219 120.444 120.200 0.041 0.000 2.077 455 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 455 E C 2.009 178.657 176.600 0.079 0.000 0.989 455 E CA 0.675 57.134 56.400 0.098 0.000 0.800 455 E CB -0.015 29.794 29.700 0.183 0.000 0.746 455 E HN 0.223 nan 8.360 nan 0.000 0.452 456 K N 0.897 121.332 120.400 0.059 0.000 2.044 456 K HA -0.184 4.135 4.320 -0.000 0.000 0.210 456 K C 2.140 178.762 176.600 0.038 0.000 1.049 456 K CA 1.346 57.664 56.287 0.053 0.000 0.927 456 K CB -0.083 32.441 32.500 0.041 0.000 0.713 456 K HN -0.011 nan 8.250 nan 0.000 0.443 457 V N 1.044 120.973 119.914 0.024 0.000 2.307 457 V HA -0.238 3.882 4.120 -0.000 0.000 0.245 457 V C 2.407 178.556 176.094 0.092 0.000 1.045 457 V CA 1.867 64.197 62.300 0.048 0.000 1.024 457 V CB -0.613 31.213 31.823 0.006 0.000 0.651 457 V HN 0.500 nan 8.190 nan 0.000 0.449 458 A N -0.063 122.741 122.820 -0.027 0.000 1.884 458 A HA -0.350 3.970 4.320 -0.000 0.000 0.219 458 A C 2.381 179.986 177.584 0.035 0.000 1.197 458 A CA 2.589 54.589 52.037 -0.061 0.000 0.637 458 A CB -0.699 18.262 19.000 -0.065 0.000 0.827 458 A HN 0.492 nan 8.150 nan 0.000 0.450 459 R N -0.356 120.173 120.500 0.049 0.000 2.091 459 R HA -0.119 4.221 4.340 -0.000 0.000 0.238 459 R C 2.014 178.329 176.300 0.025 0.000 1.136 459 R CA 1.821 57.952 56.100 0.052 0.000 0.959 459 R CB -0.471 29.869 30.300 0.067 0.000 0.856 459 R HN 0.633 nan 8.270 nan 0.000 0.437 460 I N -0.573 119.988 120.570 -0.016 0.000 2.264 460 I HA -0.289 3.881 4.170 -0.000 0.000 0.248 460 I C 1.722 177.717 176.117 -0.203 0.000 1.111 460 I CA 1.600 62.819 61.300 -0.134 0.000 1.382 460 I CB -0.378 37.478 38.000 -0.240 0.000 1.060 460 I HN 0.311 nan 8.210 nan 0.000 0.418 461 H N -0.491 118.555 119.070 -0.040 0.000 2.431 461 H HA 0.014 4.570 4.556 -0.000 0.000 0.295 461 H C 2.296 177.706 175.328 0.137 0.000 1.038 461 H CA 0.834 56.895 56.048 0.022 0.000 1.360 461 H CB -0.116 29.567 29.762 -0.132 0.000 1.433 461 H HN -0.028 nan 8.280 nan 0.000 0.536 462 V N 1.108 121.121 119.914 0.164 0.000 2.252 462 V HA -0.309 3.810 4.120 -0.000 0.000 0.249 462 V C 2.431 178.571 176.094 0.078 0.000 1.056 462 V CA 2.335 64.697 62.300 0.104 0.000 1.022 462 V CB -0.400 31.465 31.823 0.071 0.000 0.641 462 V HN 0.407 nan 8.190 nan 0.000 0.445 463 E N 0.788 121.027 120.200 0.065 0.000 2.049 463 E HA -0.238 4.112 4.350 -0.000 0.000 0.198 463 E C 2.123 178.757 176.600 0.056 0.000 1.007 463 E CA 2.009 58.441 56.400 0.053 0.000 0.809 463 E CB -0.678 29.042 29.700 0.033 0.000 0.749 463 E HN 0.499 nan 8.360 nan 0.000 0.450 464 A N 0.385 123.250 122.820 0.074 0.000 1.917 464 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 464 A C 2.342 179.988 177.584 0.103 0.000 1.182 464 A CA 1.852 53.966 52.037 0.127 0.000 0.633 464 A CB -0.866 18.277 19.000 0.239 0.000 0.819 464 A HN 0.371 nan 8.150 nan 0.000 0.448 465 L N -1.789 119.490 121.223 0.094 0.000 2.478 465 L HA 0.160 4.500 4.340 -0.000 0.000 0.223 465 L C 1.767 178.601 176.870 -0.060 0.000 1.140 465 L CA 0.661 55.478 54.840 -0.038 0.000 0.842 465 L CB -0.198 41.823 42.059 -0.063 0.000 0.953 465 L HN 0.639 nan 8.230 nan 0.000 0.452 466 G N -0.668 108.105 108.800 -0.045 0.000 2.163 466 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.213 466 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.213 466 G C 0.568 175.303 174.900 -0.275 0.000 0.991 466 G CA -0.382 44.647 45.100 -0.119 0.000 0.653 466 G HN 0.500 nan 8.290 nan 0.000 0.518 467 G N -0.404 108.303 108.800 -0.155 0.000 2.491 467 G HA2 0.451 4.411 3.960 -0.000 0.000 0.238 467 G HA3 0.451 4.411 3.960 -0.000 0.000 0.238 467 G C -0.384 174.458 174.900 -0.095 0.000 1.277 467 G CA -0.036 44.974 45.100 -0.150 0.000 0.851 467 G HN 0.603 nan 8.290 nan 0.000 0.573 468 H N 1.485 120.562 119.070 0.011 0.000 2.685 468 H HA 0.227 4.783 4.556 -0.000 0.000 0.307 468 H C 0.282 175.611 175.328 0.003 0.000 1.017 468 H CA -0.965 55.087 56.048 0.007 0.000 1.237 468 H CB 1.259 31.023 29.762 0.004 0.000 1.409 468 H HN 0.189 nan 8.280 nan 0.000 0.488 469 L N 2.669 123.965 121.223 0.121 0.000 2.456 469 L HA 0.056 4.396 4.340 -0.000 0.000 0.272 469 L C 0.574 177.465 176.870 0.034 0.000 1.189 469 L CA 0.442 55.313 54.840 0.051 0.000 0.846 469 L CB 0.788 42.866 42.059 0.031 0.000 1.111 469 L HN 0.642 nan 8.230 nan 0.000 0.475 470 T N 3.203 117.759 114.554 0.002 0.000 2.909 470 T HA 0.214 4.564 4.350 -0.000 0.000 0.289 470 T C -0.016 174.673 174.700 -0.018 0.000 1.005 470 T CA -0.451 61.646 62.100 -0.006 0.000 1.084 470 T CB 1.329 70.190 68.868 -0.012 0.000 0.975 470 T HN 0.373 nan 8.240 nan 0.000 0.509 471 K N 2.691 123.090 120.400 -0.002 0.000 2.235 471 K HA 0.451 4.771 4.320 -0.000 0.000 0.266 471 K C -0.440 176.173 176.600 0.021 0.000 0.980 471 K CA -0.628 55.668 56.287 0.016 0.000 0.849 471 K CB 0.601 33.115 32.500 0.024 0.000 1.098 471 K HN 0.497 nan 8.250 nan 0.000 0.445 472 L N 4.116 125.365 121.223 0.043 0.000 2.490 472 L HA 0.037 4.377 4.340 -0.000 0.000 0.274 472 L C 1.159 178.056 176.870 0.045 0.000 1.201 472 L CA -0.075 54.795 54.840 0.051 0.000 0.869 472 L CB 0.485 42.603 42.059 0.099 0.000 1.123 472 L HN 0.863 nan 8.230 nan 0.000 0.484 473 T N -0.328 114.243 114.554 0.029 0.000 2.652 473 T HA 0.007 4.356 4.350 -0.000 0.000 0.319 473 T C 1.017 175.738 174.700 0.036 0.000 1.029 473 T CA -0.281 61.834 62.100 0.024 0.000 0.990 473 T CB 0.809 69.682 68.868 0.010 0.000 1.098 473 T HN 0.710 nan 8.240 nan 0.000 0.520 474 K N -0.048 120.370 120.400 0.030 0.000 2.116 474 K HA -0.055 4.265 4.320 -0.000 0.000 0.203 474 K C 2.223 178.850 176.600 0.045 0.000 1.052 474 K CA 1.075 57.383 56.287 0.036 0.000 0.952 474 K CB -0.144 32.372 32.500 0.027 0.000 0.729 474 K HN 0.738 nan 8.250 nan 0.000 0.446 475 E N 0.603 120.826 120.200 0.038 0.000 2.072 475 E HA -0.170 4.179 4.350 -0.000 0.000 0.191 475 E C 2.185 178.833 176.600 0.080 0.000 0.985 475 E CA 1.151 57.581 56.400 0.051 0.000 0.801 475 E CB 0.140 29.856 29.700 0.027 0.000 0.750 475 E HN 0.348 nan 8.360 nan 0.000 0.452 476 Q N 0.102 119.931 119.800 0.048 0.000 2.045 476 Q HA -0.228 4.112 4.340 -0.000 0.000 0.206 476 Q C 2.295 178.377 176.000 0.137 0.000 0.991 476 Q CA 1.593 57.436 55.803 0.068 0.000 0.851 476 Q CB -0.282 28.473 28.738 0.028 0.000 0.911 476 Q HN 0.256 nan 8.270 nan 0.000 0.418 477 A N 0.953 123.837 122.820 0.107 0.000 1.978 477 A HA -0.254 4.065 4.320 -0.000 0.000 0.220 477 A C 1.882 179.526 177.584 0.100 0.000 1.170 477 A CA 1.705 53.807 52.037 0.109 0.000 0.636 477 A CB -0.464 18.589 19.000 0.087 0.000 0.810 477 A HN 0.446 nan 8.150 nan 0.000 0.448 478 E N -2.084 118.177 120.200 0.102 0.000 2.158 478 E HA -0.151 4.199 4.350 -0.000 0.000 0.191 478 E C 1.694 178.361 176.600 0.111 0.000 0.982 478 E CA 0.650 57.102 56.400 0.086 0.000 0.823 478 E CB -0.210 29.537 29.700 0.077 0.000 0.766 478 E HN 0.725 nan 8.360 nan 0.000 0.468 479 Y N 0.792 121.103 120.300 0.018 0.000 2.242 479 Y HA -0.129 4.421 4.550 -0.000 0.000 0.291 479 Y C 1.786 177.698 175.900 0.019 0.000 1.137 479 Y CA 1.394 59.504 58.100 0.017 0.000 1.181 479 Y CB 0.128 38.598 38.460 0.017 0.000 0.989 479 Y HN 0.043 nan 8.280 nan 0.000 0.527 480 L N -0.869 120.449 121.223 0.158 0.000 2.418 480 L HA 0.119 4.459 4.340 -0.000 0.000 0.218 480 L C 1.338 178.221 176.870 0.022 0.000 1.125 480 L CA 0.868 55.757 54.840 0.083 0.000 0.835 480 L CB -0.893 41.244 42.059 0.130 0.000 0.953 480 L HN 0.484 nan 8.230 nan 0.000 0.454 481 G N 1.586 110.399 108.800 0.022 0.000 2.289 481 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.280 481 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.280 481 G C -0.125 174.779 174.900 0.006 0.000 1.089 481 G CA 0.363 45.465 45.100 0.003 0.000 0.939 481 G HN 0.340 nan 8.290 nan 0.000 0.499 482 V N -3.666 116.260 119.914 0.020 0.000 3.114 482 V HA 0.829 4.949 4.120 -0.000 0.000 0.308 482 V C -0.359 175.731 176.094 -0.007 0.000 1.168 482 V CA -1.502 60.794 62.300 -0.006 0.000 1.015 482 V CB 2.200 34.036 31.823 0.022 0.000 1.050 482 V HN 0.108 nan 8.190 nan 0.000 0.433 483 D N 1.431 121.795 120.400 -0.061 0.000 2.339 483 D HA 0.346 4.986 4.640 -0.000 0.000 0.245 483 D C 1.424 177.716 176.300 -0.013 0.000 1.115 483 D CA -0.199 53.775 54.000 -0.044 0.000 0.917 483 D CB 2.207 42.960 40.800 -0.078 0.000 1.192 483 D HN 0.419 nan 8.370 nan 0.000 0.428 484 V N 1.585 121.530 119.914 0.052 0.000 2.380 484 V HA -0.243 3.877 4.120 -0.000 0.000 0.251 484 V C 1.888 178.107 176.094 0.208 0.000 1.063 484 V CA 1.729 64.113 62.300 0.140 0.000 1.055 484 V CB -0.357 31.523 31.823 0.094 0.000 0.657 484 V HN 0.533 nan 8.190 nan 0.000 0.455 485 E N 0.013 120.247 120.200 0.057 0.000 2.472 485 E HA 0.188 4.538 4.350 -0.000 0.000 0.196 485 E C 1.124 177.603 176.600 -0.201 0.000 1.033 485 E CA 0.564 56.994 56.400 0.050 0.000 0.886 485 E CB 0.205 29.919 29.700 0.024 0.000 0.944 485 E HN 0.587 nan 8.360 nan 0.000 0.492 486 G N 2.825 111.358 108.800 -0.445 0.000 2.537 486 G HA2 0.331 4.291 3.960 -0.000 0.000 0.297 486 G HA3 0.331 4.291 3.960 -0.000 0.000 0.297 486 G C -2.507 172.008 174.900 -0.643 0.000 1.310 486 G CA -1.207 43.665 45.100 -0.380 0.000 1.027 486 G HN -0.125 nan 8.290 nan 0.000 0.505 487 P HA 0.060 nan 4.420 nan 0.000 0.269 487 P C -0.956 176.117 177.300 -0.379 0.000 1.209 487 P CA 0.281 63.227 63.100 -0.257 0.000 0.776 487 P CB 0.468 32.145 31.700 -0.038 0.000 0.876 488 Y N 0.214 120.531 120.300 0.028 0.000 2.467 488 Y HA 0.256 4.806 4.550 -0.000 0.000 0.250 488 Y C 1.022 176.855 175.900 -0.112 0.000 1.155 488 Y CA 0.194 58.280 58.100 -0.023 0.000 1.249 488 Y CB 0.489 38.943 38.460 -0.011 0.000 1.146 488 Y HN 0.091 nan 8.280 nan 0.000 0.524 489 K N 0.466 120.851 120.400 -0.025 0.000 2.527 489 K HA 0.397 4.717 4.320 -0.000 0.000 0.260 489 K C -3.012 173.513 176.600 -0.126 0.000 0.937 489 K CA -1.837 54.316 56.287 -0.224 0.000 0.826 489 K CB 1.974 34.164 32.500 -0.517 0.000 1.359 489 K HN -0.194 nan 8.250 nan 0.000 0.434 490 P HA 0.073 nan 4.420 nan 0.000 0.273 490 P C 0.327 177.556 177.300 -0.118 0.000 1.250 490 P CA -0.070 62.939 63.100 -0.151 0.000 0.793 490 P CB 0.618 32.144 31.700 -0.291 0.000 1.011 491 D N -1.025 119.362 120.400 -0.022 0.000 2.178 491 D HA -0.191 4.448 4.640 -0.000 0.000 0.202 491 D C 1.456 177.820 176.300 0.106 0.000 0.974 491 D CA 1.294 55.342 54.000 0.080 0.000 0.841 491 D CB -0.304 40.569 40.800 0.122 0.000 0.953 491 D HN 0.596 nan 8.370 nan 0.000 0.478 492 H N -2.731 116.413 119.070 0.124 0.000 2.539 492 H HA 0.104 4.660 4.556 -0.000 0.000 0.267 492 H C -0.059 175.331 175.328 0.103 0.000 0.982 492 H CA -0.408 55.699 56.048 0.100 0.000 1.146 492 H CB -1.001 28.798 29.762 0.061 0.000 1.382 492 H HN 0.124 nan 8.280 nan 0.000 0.577 493 Y N 2.229 122.351 120.300 -0.297 0.000 2.610 493 Y HA 0.061 4.611 4.550 -0.000 0.000 0.332 493 Y C 1.064 176.891 175.900 -0.122 0.000 1.201 493 Y CA 0.041 57.967 58.100 -0.291 0.000 1.465 493 Y CB 0.593 38.780 38.460 -0.455 0.000 1.283 493 Y HN 0.140 nan 8.280 nan 0.000 0.563 494 R N 3.718 123.783 120.500 -0.727 0.000 2.335 494 R HA 0.081 4.421 4.340 -0.000 0.000 0.210 494 R C -0.761 175.440 176.300 -0.165 0.000 0.892 494 R CA -0.112 55.819 56.100 -0.282 0.000 1.048 494 R CB 0.138 30.305 30.300 -0.221 0.000 1.067 494 R HN 0.866 nan 8.270 nan 0.000 0.524 495 Y N 0.000 119.985 120.300 -0.525 0.000 2.660 495 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 495 Y CA 0.000 58.046 58.100 -0.090 0.000 1.940 495 Y CB 0.000 38.527 38.460 0.112 0.000 1.050 495 Y HN 0.000 nan 8.280 nan 0.000 0.758