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 2rgk_1_D DATA FIRST_RESID 1 DATA SEQUENCE MKWFNTLSHN RWLEQETDRI FDFGKNSVVP TGFGWLGNKG QIKEEMGTHL DATA SEQUENCE WITARMLHVY SVAAAMGRPG AYSLVDHGIK AMNGALRDKK YGGWYACVND DATA SEQUENCE EGVVDASKQG YQHFFALLGA ASAVTTGHPE ARKLLDYTIE IIEKYFWSEE DATA SEQUENCE EQMCLESWDE AFSKTEEYRG GNANMHAVEA FLIVYDVTHD KKWLDRAIRV DATA SEQUENCE ASVIIHDVAR NNHYRVNEHF DTQWNPLPDY NKDNPAHRFR AFGGTPGHWI DATA SEQUENCE EWGRLMLHIH AALEARCEQP PAWLLEDAKG LFNATVRDAW APDGADGIVY DATA SEQUENCE TVDWEGKPVV RERVRWPIVE AMGTAYALYT VTGDRQYETW YQTWWEYCIK DATA SEQUENCE YLMDYENGSW WQELDADNKV TTXXXXGKQD IYHLLHCLVI PRIPLAPGMA DATA SEQUENCE PAVAAGLLDI NAK 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.166 176.300 -0.223 0.000 1.140 1 M CA 0.000 55.195 55.300 -0.176 0.000 0.988 1 M CB 0.000 32.430 32.600 -0.283 0.000 1.302 2 K N 1.156 121.529 120.400 -0.046 0.000 2.394 2 K HA 0.395 4.715 4.320 -0.000 0.000 0.260 2 K C -0.796 175.918 176.600 0.190 0.000 0.967 2 K CA -0.432 55.846 56.287 -0.016 0.000 0.855 2 K CB 2.019 34.546 32.500 0.046 0.000 1.101 2 K HN 0.578 nan 8.250 nan 0.000 0.433 3 W N 1.475 122.610 121.300 -0.275 0.000 3.033 3 W HA 0.192 4.852 4.660 -0.000 0.000 0.250 3 W C 0.271 176.710 176.519 -0.134 0.000 1.105 3 W CA -0.449 56.696 57.345 -0.334 0.000 1.655 3 W CB -0.348 28.684 29.460 -0.713 0.000 1.001 3 W HN 0.368 nan 8.180 nan 0.000 0.653 4 F N 2.721 122.712 119.950 0.069 0.000 2.635 4 F HA -0.063 4.464 4.527 -0.000 0.000 0.379 4 F C 1.280 177.180 175.800 0.168 0.000 1.094 4 F CA 0.500 58.543 58.000 0.072 0.000 1.300 4 F CB -0.895 37.994 39.000 -0.185 0.000 1.035 4 F HN 0.177 nan 8.300 nan 0.000 0.581 5 N N -1.584 117.384 118.700 0.447 0.000 2.708 5 N HA -0.199 4.541 4.740 -0.000 0.000 0.251 5 N C -0.519 175.137 175.510 0.243 0.000 1.123 5 N CA 0.856 54.094 53.050 0.314 0.000 0.739 5 N CB -1.310 37.355 38.487 0.298 0.000 1.113 5 N HN 0.727 nan 8.380 nan 0.000 0.561 6 T N -2.471 112.235 114.554 0.254 0.000 2.794 6 T HA 0.534 4.884 4.350 -0.000 0.000 0.280 6 T C 1.144 175.946 174.700 0.171 0.000 0.987 6 T CA -0.972 61.242 62.100 0.190 0.000 0.993 6 T CB 1.736 70.711 68.868 0.179 0.000 0.939 6 T HN 0.112 nan 8.240 nan 0.000 0.449 7 L N 2.435 123.730 121.223 0.121 0.000 2.191 7 L HA -0.119 4.221 4.340 -0.000 0.000 0.212 7 L C 3.004 179.919 176.870 0.075 0.000 1.103 7 L CA 1.510 56.405 54.840 0.093 0.000 0.769 7 L CB -0.586 41.515 42.059 0.071 0.000 0.908 7 L HN 0.928 nan 8.230 nan 0.000 0.438 8 S N -1.353 114.390 115.700 0.072 0.000 2.355 8 S HA -0.282 4.188 4.470 -0.000 0.000 0.222 8 S C 1.931 176.553 174.600 0.036 0.000 1.031 8 S CA 1.313 59.537 58.200 0.040 0.000 0.993 8 S CB -0.603 62.608 63.200 0.018 0.000 0.859 8 S HN 0.537 nan 8.310 nan 0.000 0.453 9 H N 2.499 121.535 119.070 -0.057 0.000 2.357 9 H HA 0.120 4.676 4.556 -0.000 0.000 0.301 9 H C 1.858 177.216 175.328 0.050 0.000 1.082 9 H CA 1.895 57.873 56.048 -0.115 0.000 1.342 9 H CB -0.561 29.127 29.762 -0.124 0.000 1.389 9 H HN 0.313 nan 8.280 nan 0.000 0.511 10 N N 0.352 119.061 118.700 0.015 0.000 2.289 10 N HA -0.093 4.647 4.740 -0.000 0.000 0.184 10 N C 1.811 177.297 175.510 -0.040 0.000 1.016 10 N CA 0.878 53.919 53.050 -0.016 0.000 0.872 10 N CB -0.177 38.360 38.487 0.083 0.000 0.973 10 N HN 0.422 nan 8.380 nan 0.000 0.433 11 R N -1.162 119.330 120.500 -0.013 0.000 2.115 11 R HA -0.079 4.261 4.340 -0.000 0.000 0.226 11 R C 1.864 178.126 176.300 -0.063 0.000 1.100 11 R CA 0.759 56.844 56.100 -0.024 0.000 0.980 11 R CB -0.251 30.049 30.300 0.000 0.000 0.875 11 R HN 0.337 nan 8.270 nan 0.000 0.445 12 W N 1.399 122.561 121.300 -0.229 0.000 2.388 12 W HA -0.098 4.562 4.660 -0.000 0.000 0.294 12 W C 1.491 177.843 176.519 -0.278 0.000 1.212 12 W CA 1.133 58.317 57.345 -0.269 0.000 1.271 12 W CB -0.140 29.091 29.460 -0.382 0.000 1.126 12 W HN -0.058 nan 8.180 nan 0.000 0.535 13 L N 0.204 121.331 121.223 -0.159 0.000 2.017 13 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 13 L C 2.515 179.245 176.870 -0.233 0.000 1.073 13 L CA 2.051 56.782 54.840 -0.181 0.000 0.745 13 L CB -1.140 40.883 42.059 -0.060 0.000 0.894 13 L HN 0.047 nan 8.230 nan 0.000 0.432 14 E N 0.130 120.230 120.200 -0.166 0.000 2.085 14 E HA -0.288 4.062 4.350 -0.000 0.000 0.194 14 E C 2.197 178.681 176.600 -0.195 0.000 0.994 14 E CA 1.408 57.728 56.400 -0.134 0.000 0.801 14 E CB 0.039 29.702 29.700 -0.063 0.000 0.743 14 E HN 0.489 nan 8.360 nan 0.000 0.453 15 Q N -0.138 119.503 119.800 -0.265 0.000 2.124 15 Q HA -0.205 4.135 4.340 -0.000 0.000 0.202 15 Q C 1.984 177.776 176.000 -0.347 0.000 0.977 15 Q CA 1.526 57.160 55.803 -0.281 0.000 0.850 15 Q CB -0.008 28.541 28.738 -0.315 0.000 0.901 15 Q HN 0.163 nan 8.270 nan 0.000 0.429 16 E N -0.076 119.807 120.200 -0.528 0.000 2.152 16 E HA -0.097 4.253 4.350 -0.000 0.000 0.192 16 E C 1.601 178.023 176.600 -0.296 0.000 0.983 16 E CA 1.424 57.550 56.400 -0.456 0.000 0.818 16 E CB -0.084 29.213 29.700 -0.671 0.000 0.758 16 E HN 0.200 nan 8.360 nan 0.000 0.467 17 T N 0.924 115.280 114.554 -0.331 0.000 2.821 17 T HA -0.108 4.242 4.350 -0.000 0.000 0.267 17 T C 1.159 175.494 174.700 -0.607 0.000 1.046 17 T CA 1.321 63.122 62.100 -0.498 0.000 1.139 17 T CB -0.284 68.306 68.868 -0.463 0.000 0.871 17 T HN 0.192 nan 8.240 nan 0.000 0.454 18 D N 0.767 121.003 120.400 -0.272 0.000 2.117 18 D HA -0.043 4.597 4.640 -0.000 0.000 0.198 18 D C 2.284 178.579 176.300 -0.008 0.000 0.982 18 D CA 0.769 54.748 54.000 -0.035 0.000 0.828 18 D CB -0.216 40.604 40.800 0.032 0.000 0.967 18 D HN 0.281 nan 8.370 nan 0.000 0.464 19 R N 0.392 120.853 120.500 -0.064 0.000 2.096 19 R HA -0.123 4.217 4.340 -0.000 0.000 0.235 19 R C 2.072 178.388 176.300 0.026 0.000 1.127 19 R CA 0.809 56.909 56.100 -0.000 0.000 0.968 19 R CB 0.002 30.289 30.300 -0.023 0.000 0.861 19 R HN 0.084 nan 8.270 nan 0.000 0.440 20 I N 0.178 120.695 120.570 -0.089 0.000 2.286 20 I HA -0.200 3.970 4.170 -0.000 0.000 0.245 20 I C 1.928 178.082 176.117 0.062 0.000 1.104 20 I CA 1.135 62.384 61.300 -0.084 0.000 1.397 20 I CB -1.207 36.629 38.000 -0.273 0.000 1.072 20 I HN 0.069 nan 8.210 nan 0.000 0.417 21 F N 1.729 121.705 119.950 0.044 0.000 2.095 21 F HA -0.205 4.322 4.527 -0.000 0.000 0.298 21 F C 2.440 178.368 175.800 0.214 0.000 1.104 21 F CA 1.106 59.168 58.000 0.103 0.000 1.232 21 F CB -1.182 37.879 39.000 0.101 0.000 0.987 21 F HN 0.160 nan 8.300 nan 0.000 0.475 22 D N -0.418 120.189 120.400 0.344 0.000 2.116 22 D HA -0.246 4.394 4.640 -0.000 0.000 0.193 22 D C 2.231 178.662 176.300 0.219 0.000 0.998 22 D CA 1.263 55.404 54.000 0.235 0.000 0.836 22 D CB -0.872 40.029 40.800 0.169 0.000 0.951 22 D HN 0.234 nan 8.370 nan 0.000 0.449 23 F N 1.512 121.520 119.950 0.097 0.000 2.126 23 F HA -0.113 4.414 4.527 -0.000 0.000 0.299 23 F C 2.307 178.165 175.800 0.096 0.000 1.096 23 F CA 1.936 59.976 58.000 0.067 0.000 1.255 23 F CB -0.411 38.607 39.000 0.029 0.000 0.997 23 F HN -0.022 nan 8.300 nan 0.000 0.479 24 G N 0.180 109.154 108.800 0.290 0.000 2.471 24 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.219 24 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.219 24 G C 1.692 176.687 174.900 0.158 0.000 1.125 24 G CA 0.396 45.648 45.100 0.253 0.000 0.775 24 G HN 0.190 nan 8.290 nan 0.000 0.548 25 K N 1.291 121.751 120.400 0.100 0.000 2.089 25 K HA -0.137 4.183 4.320 -0.000 0.000 0.210 25 K C 1.963 178.518 176.600 -0.074 0.000 1.048 25 K CA 1.387 57.651 56.287 -0.038 0.000 0.926 25 K CB -0.575 31.904 32.500 -0.036 0.000 0.714 25 K HN 0.256 nan 8.250 nan 0.000 0.448 26 N N 0.861 119.499 118.700 -0.104 0.000 2.520 26 N HA -0.101 4.639 4.740 -0.000 0.000 0.185 26 N C 1.489 176.947 175.510 -0.085 0.000 1.068 26 N CA 1.103 54.080 53.050 -0.121 0.000 0.911 26 N CB -0.220 38.161 38.487 -0.176 0.000 0.961 26 N HN 0.274 nan 8.380 nan 0.000 0.446 27 S N -0.722 114.967 115.700 -0.017 0.000 2.507 27 S HA 0.002 4.472 4.470 -0.000 0.000 0.235 27 S C 0.759 175.367 174.600 0.013 0.000 0.988 27 S CA -0.158 58.083 58.200 0.067 0.000 0.944 27 S CB -0.473 62.842 63.200 0.190 0.000 0.762 27 S HN -0.041 nan 8.310 nan 0.000 0.526 28 V N 3.356 123.187 119.914 -0.138 0.000 2.539 28 V HA 0.235 4.355 4.120 -0.000 0.000 0.300 28 V C 0.379 176.260 176.094 -0.355 0.000 1.019 28 V CA 0.280 62.282 62.300 -0.498 0.000 1.160 28 V CB -0.095 31.401 31.823 -0.544 0.000 0.901 28 V HN 0.524 nan 8.190 nan 0.000 0.481 29 V N 3.309 123.007 119.914 -0.360 0.000 3.078 29 V HA 0.534 4.654 4.120 -0.000 0.000 0.311 29 V C -2.159 173.915 176.094 -0.033 0.000 1.138 29 V CA -2.008 60.205 62.300 -0.145 0.000 1.007 29 V CB 1.684 33.464 31.823 -0.072 0.000 1.045 29 V HN 0.473 nan 8.190 nan 0.000 0.432 30 P HA -0.163 nan 4.420 nan 0.000 0.216 30 P C 1.435 178.725 177.300 -0.016 0.000 1.154 30 P CA 2.787 65.898 63.100 0.017 0.000 0.865 30 P CB -0.024 31.667 31.700 -0.014 0.000 0.789 31 T N -5.853 108.686 114.554 -0.026 0.000 3.107 31 T HA 0.478 4.828 4.350 -0.000 0.000 0.249 31 T C 1.035 175.700 174.700 -0.059 0.000 1.096 31 T CA 0.515 62.589 62.100 -0.043 0.000 1.012 31 T CB 0.158 69.020 68.868 -0.010 0.000 0.977 31 T HN 0.280 nan 8.240 nan 0.000 0.527 32 G N 0.799 109.572 108.800 -0.045 0.000 2.341 32 G HA2 0.345 4.305 3.960 -0.000 0.000 0.059 32 G HA3 0.345 4.305 3.960 -0.000 0.000 0.059 32 G C -1.774 172.976 174.900 -0.250 0.000 0.897 32 G CA -0.924 44.139 45.100 -0.060 0.000 1.142 32 G HN 0.234 nan 8.290 nan 0.000 0.433 33 F N 1.865 121.833 119.950 0.030 0.000 2.529 33 F HA 0.672 5.199 4.527 -0.000 0.000 0.320 33 F C 0.915 176.696 175.800 -0.031 0.000 1.118 33 F CA 0.127 58.112 58.000 -0.024 0.000 0.915 33 F CB 2.254 41.219 39.000 -0.057 0.000 1.161 33 F HN 0.680 nan 8.300 nan 0.000 0.445 34 G N 1.095 109.975 108.800 0.133 0.000 2.563 34 G HA2 0.087 4.047 3.960 -0.000 0.000 0.283 34 G HA3 0.087 4.047 3.960 -0.000 0.000 0.283 34 G C -1.602 173.403 174.900 0.175 0.000 1.309 34 G CA -0.402 44.781 45.100 0.138 0.000 1.022 34 G HN 0.664 nan 8.290 nan 0.000 0.501 35 W N 1.314 122.621 121.300 0.012 0.000 2.291 35 W HA 0.513 5.173 4.660 -0.000 0.000 0.312 35 W C -0.904 175.634 176.519 0.033 0.000 1.061 35 W CA -0.960 56.390 57.345 0.007 0.000 1.296 35 W CB 0.360 29.839 29.460 0.032 0.000 1.223 35 W HN 0.174 nan 8.180 nan 0.000 0.421 36 L N 6.239 127.574 121.223 0.187 0.000 2.349 36 L HA 0.380 4.720 4.340 -0.000 0.000 0.275 36 L C 1.265 178.321 176.870 0.310 0.000 1.115 36 L CA -0.169 54.777 54.840 0.177 0.000 0.820 36 L CB 0.454 42.541 42.059 0.047 0.000 1.135 36 L HN 0.447 nan 8.230 nan 0.000 0.445 37 G N 1.053 110.016 108.800 0.273 0.000 2.525 37 G HA2 0.057 4.017 3.960 -0.000 0.000 0.287 37 G HA3 0.057 4.017 3.960 -0.000 0.000 0.287 37 G C 0.653 175.734 174.900 0.302 0.000 1.350 37 G CA -0.541 44.736 45.100 0.296 0.000 1.039 37 G HN 0.697 nan 8.290 nan 0.000 0.513 38 N N -0.541 118.324 118.700 0.276 0.000 2.585 38 N HA -0.064 4.676 4.740 -0.000 0.000 0.188 38 N C 0.974 176.609 175.510 0.208 0.000 1.102 38 N CA 0.820 54.025 53.050 0.259 0.000 0.920 38 N CB 0.227 38.910 38.487 0.325 0.000 0.963 38 N HN 0.445 nan 8.380 nan 0.000 0.447 39 K N -0.680 119.851 120.400 0.218 0.000 2.592 39 K HA 0.207 4.527 4.320 -0.000 0.000 0.203 39 K C 0.429 177.122 176.600 0.155 0.000 1.070 39 K CA -0.086 56.311 56.287 0.184 0.000 1.062 39 K CB 0.967 33.542 32.500 0.125 0.000 0.814 39 K HN 0.007 nan 8.250 nan 0.000 0.502 40 G N 2.735 111.638 108.800 0.172 0.000 2.198 40 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.260 40 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.260 40 G C -0.125 174.646 174.900 -0.215 0.000 1.025 40 G CA 0.528 45.406 45.100 -0.370 0.000 0.769 40 G HN 0.381 nan 8.290 nan 0.000 0.507 41 Q N 0.255 120.035 119.800 -0.033 0.000 2.274 41 Q HA 0.653 4.993 4.340 -0.000 0.000 0.260 41 Q C 0.253 176.272 176.000 0.033 0.000 0.974 41 Q CA -1.355 54.442 55.803 -0.010 0.000 0.876 41 Q CB 1.400 30.154 28.738 0.026 0.000 1.297 41 Q HN 0.420 nan 8.270 nan 0.000 0.446 42 I N 2.035 122.618 120.570 0.021 0.000 2.710 42 I HA -0.008 4.162 4.170 -0.000 0.000 0.286 42 I C 0.495 176.660 176.117 0.080 0.000 1.181 42 I CA 0.289 61.625 61.300 0.060 0.000 1.430 42 I CB 0.330 38.347 38.000 0.029 0.000 1.367 42 I HN 0.379 nan 8.210 nan 0.000 0.577 43 K N 6.845 127.320 120.400 0.125 0.000 2.290 43 K HA 0.143 4.463 4.320 -0.000 0.000 0.250 43 K C 0.675 177.293 176.600 0.030 0.000 1.092 43 K CA -0.479 55.850 56.287 0.069 0.000 1.006 43 K CB 0.917 33.449 32.500 0.054 0.000 1.549 43 K HN 0.444 nan 8.250 nan 0.000 0.436 44 E N 1.918 122.129 120.200 0.018 0.000 2.136 44 E HA -0.277 4.073 4.350 -0.000 0.000 0.208 44 E C 1.088 177.680 176.600 -0.014 0.000 1.035 44 E CA 1.958 58.361 56.400 0.006 0.000 0.838 44 E CB 0.098 29.797 29.700 -0.003 0.000 0.748 44 E HN 0.558 nan 8.360 nan 0.000 0.459 45 E N 0.466 120.643 120.200 -0.038 0.000 2.209 45 E HA -0.151 4.199 4.350 -0.000 0.000 0.196 45 E C 1.845 178.397 176.600 -0.080 0.000 0.993 45 E CA 0.946 57.310 56.400 -0.059 0.000 0.819 45 E CB -0.286 29.372 29.700 -0.070 0.000 0.745 45 E HN 0.222 nan 8.360 nan 0.000 0.477 46 M N -0.072 119.462 119.600 -0.111 0.000 2.319 46 M HA 0.178 4.658 4.480 -0.000 0.000 0.265 46 M C 1.404 177.751 176.300 0.080 0.000 1.068 46 M CA 1.223 56.461 55.300 -0.103 0.000 1.118 46 M CB -1.419 30.955 32.600 -0.376 0.000 1.395 46 M HN 0.224 nan 8.290 nan 0.000 0.435 47 G N 0.303 109.133 108.800 0.050 0.000 2.598 47 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.244 47 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.244 47 G C -0.340 174.610 174.900 0.083 0.000 1.302 47 G CA -0.061 45.052 45.100 0.022 0.000 0.903 47 G HN 0.311 nan 8.290 nan 0.000 0.575 48 T N 1.397 115.951 114.554 0.000 0.000 2.947 48 T HA 0.565 4.915 4.350 -0.000 0.000 0.337 48 T C -0.143 174.537 174.700 -0.033 0.000 1.139 48 T CA -0.159 61.959 62.100 0.029 0.000 0.992 48 T CB 0.475 69.354 68.868 0.017 0.000 1.043 48 T HN 0.634 nan 8.240 nan 0.000 0.498 49 H N 1.773 120.822 119.070 -0.034 0.000 2.582 49 H HA 0.229 4.785 4.556 -0.000 0.000 0.345 49 H C 1.124 176.343 175.328 -0.181 0.000 1.104 49 H CA -0.827 55.167 56.048 -0.089 0.000 1.390 49 H CB 0.888 30.489 29.762 -0.267 0.000 1.461 49 H HN 0.314 nan 8.280 nan 0.000 0.551 50 L N 3.372 124.621 121.223 0.044 0.000 2.017 50 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 50 L C 2.000 178.799 176.870 -0.118 0.000 1.073 50 L CA 1.459 56.274 54.840 -0.042 0.000 0.745 50 L CB -0.644 41.409 42.059 -0.009 0.000 0.894 50 L HN 0.836 nan 8.230 nan 0.000 0.432 51 W N -0.267 120.955 121.300 -0.131 0.000 2.363 51 W HA -0.163 4.497 4.660 -0.000 0.000 0.296 51 W C 2.059 178.348 176.519 -0.383 0.000 1.212 51 W CA 1.123 58.286 57.345 -0.304 0.000 1.260 51 W CB -1.329 27.973 29.460 -0.263 0.000 1.131 51 W HN 0.194 nan 8.180 nan 0.000 0.530 52 I N 1.565 121.552 120.570 -0.971 0.000 2.252 52 I HA -0.241 3.929 4.170 -0.000 0.000 0.245 52 I C 2.530 178.404 176.117 -0.405 0.000 1.102 52 I CA 2.001 62.790 61.300 -0.852 0.000 1.385 52 I CB -0.932 36.510 38.000 -0.931 0.000 1.064 52 I HN -0.093 nan 8.210 nan 0.000 0.414 53 T N 0.932 115.350 114.554 -0.227 0.000 2.746 53 T HA -0.120 4.230 4.350 -0.000 0.000 0.267 53 T C 2.068 176.695 174.700 -0.122 0.000 1.039 53 T CA 1.420 63.523 62.100 0.004 0.000 1.142 53 T CB -0.257 68.640 68.868 0.048 0.000 0.866 53 T HN 0.460 nan 8.240 nan 0.000 0.444 54 A N 1.732 124.419 122.820 -0.222 0.000 1.898 54 A HA -0.081 4.239 4.320 -0.000 0.000 0.216 54 A C 2.393 179.842 177.584 -0.226 0.000 1.181 54 A CA 1.243 53.145 52.037 -0.225 0.000 0.620 54 A CB -0.436 18.432 19.000 -0.219 0.000 0.819 54 A HN 0.384 nan 8.150 nan 0.000 0.442 55 R N -1.288 118.992 120.500 -0.366 0.000 2.075 55 R HA -0.064 4.276 4.340 -0.000 0.000 0.232 55 R C 2.172 178.332 176.300 -0.233 0.000 1.126 55 R CA 1.510 57.380 56.100 -0.384 0.000 0.963 55 R CB -0.337 29.614 30.300 -0.582 0.000 0.858 55 R HN 0.401 nan 8.270 nan 0.000 0.435 56 M N 0.426 119.795 119.600 -0.386 0.000 2.117 56 M HA -0.127 4.353 4.480 -0.000 0.000 0.262 56 M C 2.278 178.363 176.300 -0.358 0.000 1.065 56 M CA 1.185 56.156 55.300 -0.548 0.000 1.114 56 M CB -0.944 30.810 32.600 -1.410 0.000 1.361 56 M HN 0.147 nan 8.290 nan 0.000 0.408 57 L N -0.119 120.952 121.223 -0.253 0.000 2.042 57 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 57 L C 2.530 179.383 176.870 -0.029 0.000 1.076 57 L CA 2.256 57.060 54.840 -0.060 0.000 0.749 57 L CB -1.092 40.949 42.059 -0.031 0.000 0.893 57 L HN 0.425 nan 8.230 nan 0.000 0.432 58 H N -1.455 117.548 119.070 -0.112 0.000 2.326 58 H HA -0.104 4.452 4.556 -0.000 0.000 0.301 58 H C 2.039 177.325 175.328 -0.072 0.000 1.081 58 H CA 2.213 58.227 56.048 -0.057 0.000 1.334 58 H CB -0.384 29.367 29.762 -0.018 0.000 1.385 58 H HN 0.156 nan 8.280 nan 0.000 0.504 59 V N 0.157 119.928 119.914 -0.238 0.000 2.332 59 V HA -0.288 3.832 4.120 -0.000 0.000 0.248 59 V C 1.790 177.556 176.094 -0.548 0.000 1.055 59 V CA 2.037 64.107 62.300 -0.384 0.000 1.038 59 V CB -0.747 30.832 31.823 -0.407 0.000 0.651 59 V HN 0.511 nan 8.190 nan 0.000 0.450 60 Y N -0.201 119.970 120.300 -0.214 0.000 2.583 60 Y HA 0.001 4.551 4.550 -0.000 0.000 0.293 60 Y C 2.584 178.358 175.900 -0.210 0.000 1.157 60 Y CA 0.760 58.704 58.100 -0.259 0.000 1.315 60 Y CB -0.309 38.031 38.460 -0.200 0.000 1.021 60 Y HN 0.157 nan 8.280 nan 0.000 0.536 61 S N -1.000 114.634 115.700 -0.111 0.000 2.414 61 S HA -0.091 4.379 4.470 -0.000 0.000 0.227 61 S C 2.134 176.673 174.600 -0.101 0.000 1.022 61 S CA 0.939 59.098 58.200 -0.067 0.000 0.958 61 S CB -0.277 62.883 63.200 -0.067 0.000 0.797 61 S HN 0.227 nan 8.310 nan 0.000 0.493 62 V N 1.802 121.604 119.914 -0.188 0.000 2.488 62 V HA -0.050 4.070 4.120 -0.000 0.000 0.246 62 V C 2.546 178.571 176.094 -0.116 0.000 1.046 62 V CA 1.505 63.733 62.300 -0.119 0.000 1.053 62 V CB -0.944 30.818 31.823 -0.102 0.000 0.679 62 V HN 0.508 nan 8.190 nan 0.000 0.458 63 A N 0.003 122.603 122.820 -0.366 0.000 1.969 63 A HA -0.000 4.320 4.320 -0.000 0.000 0.218 63 A C 2.388 179.811 177.584 -0.268 0.000 1.169 63 A CA 1.733 53.358 52.037 -0.686 0.000 0.635 63 A CB -0.565 17.501 19.000 -1.557 0.000 0.810 63 A HN 0.524 nan 8.150 nan 0.000 0.445 64 A N -0.001 122.739 122.820 -0.133 0.000 1.898 64 A HA 0.204 4.524 4.320 -0.000 0.000 0.216 64 A C 2.458 180.038 177.584 -0.008 0.000 1.181 64 A CA 1.839 53.870 52.037 -0.010 0.000 0.620 64 A CB -0.954 18.108 19.000 0.103 0.000 0.819 64 A HN 1.031 nan 8.150 nan 0.000 0.442 65 A N -0.740 122.074 122.820 -0.011 0.000 2.019 65 A HA -0.035 4.285 4.320 -0.000 0.000 0.219 65 A C 2.025 179.614 177.584 0.009 0.000 1.164 65 A CA 1.552 53.591 52.037 0.004 0.000 0.644 65 A CB -0.532 18.473 19.000 0.008 0.000 0.805 65 A HN 0.524 nan 8.150 nan 0.000 0.449 66 M N -0.921 118.684 119.600 0.008 0.000 2.628 66 M HA 0.161 4.641 4.480 -0.000 0.000 0.232 66 M C 1.174 177.490 176.300 0.026 0.000 1.128 66 M CA 0.710 56.033 55.300 0.039 0.000 1.040 66 M CB 0.094 32.754 32.600 0.099 0.000 1.608 66 M HN 0.588 nan 8.290 nan 0.000 0.507 67 G N 1.399 110.201 108.800 0.004 0.000 2.198 67 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.257 67 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.257 67 G C -0.326 174.576 174.900 0.003 0.000 1.042 67 G CA -0.195 44.906 45.100 0.001 0.000 0.791 67 G HN 0.342 nan 8.290 nan 0.000 0.502 68 R N 0.623 121.118 120.500 -0.010 0.000 2.202 68 R HA 0.532 4.872 4.340 -0.000 0.000 0.334 68 R C -2.260 174.039 176.300 -0.002 0.000 1.036 68 R CA -1.998 54.099 56.100 -0.004 0.000 0.878 68 R CB 0.613 30.892 30.300 -0.034 0.000 1.067 68 R HN 0.133 nan 8.270 nan 0.000 0.457 69 P HA 0.182 nan 4.420 nan 0.000 0.267 69 P C 0.537 177.844 177.300 0.012 0.000 1.205 69 P CA 0.503 63.611 63.100 0.012 0.000 0.765 69 P CB 1.156 32.862 31.700 0.009 0.000 0.828 70 G N 2.474 111.289 108.800 0.023 0.000 2.313 70 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.215 70 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.215 70 G C 1.225 176.114 174.900 -0.019 0.000 1.023 70 G CA 0.417 45.517 45.100 -0.001 0.000 0.626 70 G HN 0.626 nan 8.290 nan 0.000 0.503 71 A N -0.182 122.640 122.820 0.003 0.000 1.902 71 A HA 0.160 4.480 4.320 -0.000 0.000 0.217 71 A C 1.994 179.623 177.584 0.076 0.000 1.181 71 A CA 2.317 54.366 52.037 0.019 0.000 0.623 71 A CB -0.636 18.359 19.000 -0.009 0.000 0.818 71 A HN 1.231 nan 8.150 nan 0.000 0.443 72 Y N 1.393 121.690 120.300 -0.005 0.000 2.165 72 Y HA -0.202 4.348 4.550 0.000 0.000 0.286 72 Y C 2.711 178.643 175.900 0.053 0.000 1.155 72 Y CA 1.673 59.794 58.100 0.034 0.000 1.164 72 Y CB -0.391 38.089 38.460 0.033 0.000 0.978 72 Y HN 0.306 nan 8.280 nan 0.000 0.513 73 S N 0.286 116.028 115.700 0.070 0.000 2.382 73 S HA -0.171 4.299 4.470 -0.000 0.000 0.228 73 S C 2.030 176.597 174.600 -0.055 0.000 1.027 73 S CA 1.500 59.693 58.200 -0.012 0.000 0.991 73 S CB -0.485 62.726 63.200 0.017 0.000 0.823 73 S HN 0.462 nan 8.310 nan 0.000 0.469 74 L N 0.793 121.970 121.223 -0.076 0.000 2.156 74 L HA -0.034 4.306 4.340 -0.000 0.000 0.208 74 L C 2.259 179.178 176.870 0.081 0.000 1.095 74 L CA 0.647 55.460 54.840 -0.044 0.000 0.770 74 L CB -0.553 41.298 42.059 -0.346 0.000 0.914 74 L HN 0.203 nan 8.230 nan 0.000 0.439 75 V N 0.133 120.032 119.914 -0.025 0.000 2.343 75 V HA -0.321 3.799 4.120 -0.000 0.000 0.247 75 V C 2.160 178.129 176.094 -0.209 0.000 1.051 75 V CA 2.210 64.459 62.300 -0.085 0.000 1.036 75 V CB -0.390 31.343 31.823 -0.150 0.000 0.654 75 V HN 0.487 nan 8.190 nan 0.000 0.451 76 D N -0.934 119.299 120.400 -0.278 0.000 2.117 76 D HA -0.256 4.384 4.640 -0.000 0.000 0.197 76 D C 2.196 178.424 176.300 -0.120 0.000 0.987 76 D CA 1.468 55.325 54.000 -0.237 0.000 0.829 76 D CB -0.219 40.514 40.800 -0.112 0.000 0.961 76 D HN 0.562 nan 8.370 nan 0.000 0.460 77 H N -0.440 118.552 119.070 -0.129 0.000 2.387 77 H HA -0.054 4.502 4.556 -0.000 0.000 0.299 77 H C 2.002 177.265 175.328 -0.108 0.000 1.090 77 H CA 1.810 57.774 56.048 -0.140 0.000 1.332 77 H CB -0.396 29.240 29.762 -0.210 0.000 1.386 77 H HN 0.295 nan 8.280 nan 0.000 0.516 78 G N 0.998 109.874 108.800 0.126 0.000 2.418 78 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.217 78 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.217 78 G C 2.020 176.887 174.900 -0.055 0.000 1.158 78 G CA 0.805 46.010 45.100 0.175 0.000 0.771 78 G HN 0.421 nan 8.290 nan 0.000 0.545 79 I N 0.285 120.768 120.570 -0.145 0.000 2.315 79 I HA -0.111 4.059 4.170 -0.000 0.000 0.248 79 I C 2.612 178.649 176.117 -0.133 0.000 1.117 79 I CA 0.828 62.023 61.300 -0.176 0.000 1.404 79 I CB -0.036 37.756 38.000 -0.346 0.000 1.071 79 I HN 0.012 nan 8.210 nan 0.000 0.419 80 K N 0.999 121.295 120.400 -0.173 0.000 2.097 80 K HA -0.036 4.284 4.320 -0.000 0.000 0.205 80 K C 2.191 178.692 176.600 -0.165 0.000 1.050 80 K CA 1.441 57.632 56.287 -0.160 0.000 0.938 80 K CB -0.506 31.870 32.500 -0.206 0.000 0.718 80 K HN 0.287 nan 8.250 nan 0.000 0.442 81 A N 1.150 123.826 122.820 -0.241 0.000 1.969 81 A HA -0.092 4.228 4.320 -0.000 0.000 0.218 81 A C 2.020 179.587 177.584 -0.029 0.000 1.169 81 A CA 1.218 53.147 52.037 -0.180 0.000 0.635 81 A CB -0.274 18.591 19.000 -0.225 0.000 0.810 81 A HN 0.116 nan 8.150 nan 0.000 0.445 82 M N -0.380 119.212 119.600 -0.014 0.000 2.619 82 M HA 0.036 4.516 4.480 -0.000 0.000 0.251 82 M C 0.477 176.970 176.300 0.323 0.000 1.106 82 M CA 0.885 56.251 55.300 0.111 0.000 1.086 82 M CB -1.312 31.266 32.600 -0.038 0.000 1.465 82 M HN 0.416 nan 8.290 nan 0.000 0.506 83 N N -0.229 118.540 118.700 0.115 0.000 2.187 83 N HA 0.213 4.953 4.740 -0.000 0.000 0.212 83 N C 0.828 176.345 175.510 0.012 0.000 1.152 83 N CA -0.032 53.045 53.050 0.045 0.000 0.872 83 N CB 0.846 39.324 38.487 -0.014 0.000 1.025 83 N HN 0.283 nan 8.380 nan 0.000 0.514 84 G N -0.529 108.295 108.800 0.041 0.000 3.019 84 G HA2 0.502 4.462 3.960 -0.000 0.000 0.152 84 G HA3 0.502 4.462 3.960 -0.000 0.000 0.152 84 G C 0.934 175.874 174.900 0.068 0.000 1.320 84 G CA 0.087 45.199 45.100 0.020 0.000 1.013 84 G HN 0.111 nan 8.290 nan 0.000 0.593 85 A N -0.755 122.107 122.820 0.071 0.000 2.032 85 A HA -0.006 4.314 4.320 -0.000 0.000 0.221 85 A C 2.363 180.093 177.584 0.244 0.000 1.165 85 A CA 1.321 53.434 52.037 0.127 0.000 0.645 85 A CB -0.533 18.515 19.000 0.080 0.000 0.807 85 A HN 0.389 nan 8.150 nan 0.000 0.453 86 L N -1.211 120.153 121.223 0.234 0.000 2.201 86 L HA -0.065 4.275 4.340 -0.000 0.000 0.212 86 L C 1.653 178.735 176.870 0.354 0.000 1.105 86 L CA 0.502 55.550 54.840 0.347 0.000 0.775 86 L CB -0.157 42.079 42.059 0.295 0.000 0.913 86 L HN 0.382 nan 8.230 nan 0.000 0.440 87 R N 0.938 121.562 120.500 0.208 0.000 2.298 87 R HA 0.004 4.344 4.340 -0.000 0.000 0.310 87 R C -0.415 175.696 176.300 -0.316 0.000 1.068 87 R CA -0.380 55.591 56.100 -0.215 0.000 0.957 87 R CB 0.567 30.721 30.300 -0.244 0.000 1.003 87 R HN -0.107 nan 8.270 nan 0.000 0.454 88 D N 4.364 124.420 120.400 -0.572 0.000 2.453 88 D HA 0.039 4.679 4.640 -0.000 0.000 0.223 88 D C -0.063 176.118 176.300 -0.197 0.000 1.183 88 D CA 0.059 53.763 54.000 -0.493 0.000 0.933 88 D CB 0.830 41.276 40.800 -0.590 0.000 1.038 88 D HN 0.511 nan 8.370 nan 0.000 0.513 89 K N 2.541 122.866 120.400 -0.125 0.000 2.525 89 K HA -0.042 4.278 4.320 -0.000 0.000 0.192 89 K C 1.535 178.077 176.600 -0.097 0.000 1.029 89 K CA 0.291 56.513 56.287 -0.108 0.000 1.029 89 K CB 0.705 33.146 32.500 -0.097 0.000 0.814 89 K HN 0.261 nan 8.250 nan 0.000 0.503 90 K N -0.259 120.062 120.400 -0.131 0.000 2.240 90 K HA 0.005 4.325 4.320 -0.000 0.000 0.202 90 K C 0.915 177.332 176.600 -0.306 0.000 1.053 90 K CA 0.650 56.771 56.287 -0.276 0.000 0.973 90 K CB 0.289 32.517 32.500 -0.452 0.000 0.924 90 K HN 0.022 nan 8.250 nan 0.000 0.477 91 Y N -0.192 120.134 120.300 0.043 0.000 2.498 91 Y HA 0.325 4.875 4.550 -0.000 0.000 0.259 91 Y C 0.835 176.843 175.900 0.180 0.000 1.086 91 Y CA 0.407 58.569 58.100 0.104 0.000 1.287 91 Y CB 1.181 39.684 38.460 0.071 0.000 1.146 91 Y HN 0.298 nan 8.280 nan 0.000 0.523 92 G N -0.771 108.164 108.800 0.225 0.000 2.555 92 G HA2 0.397 4.357 3.960 -0.000 0.000 0.686 92 G HA3 0.397 4.357 3.960 -0.000 0.000 0.686 92 G C 0.100 175.101 174.900 0.168 0.000 1.275 92 G CA -0.613 44.596 45.100 0.182 0.000 0.871 92 G HN 1.009 nan 8.290 nan 0.000 0.603 93 G N -0.955 107.824 108.800 -0.035 0.000 2.645 93 G HA2 0.071 4.031 3.960 -0.000 0.000 0.239 93 G HA3 0.071 4.031 3.960 -0.000 0.000 0.239 93 G C 0.084 174.763 174.900 -0.369 0.000 1.331 93 G CA 0.522 45.637 45.100 0.025 0.000 0.890 93 G HN 1.746 nan 8.290 nan 0.000 0.572 94 W N -1.073 120.393 121.300 0.276 0.000 2.844 94 W HA 0.561 5.221 4.660 -0.000 0.000 0.340 94 W C -0.572 175.940 176.519 -0.013 0.000 1.093 94 W CA -1.057 56.257 57.345 -0.051 0.000 1.212 94 W CB 1.377 30.756 29.460 -0.136 0.000 1.422 94 W HN 0.492 nan 8.180 nan 0.000 0.515 95 Y N 0.804 121.287 120.300 0.304 0.000 2.457 95 Y HA 0.131 4.681 4.550 -0.000 0.000 0.341 95 Y C 1.429 177.441 175.900 0.187 0.000 1.240 95 Y CA 0.598 58.816 58.100 0.198 0.000 1.437 95 Y CB 0.280 38.814 38.460 0.124 0.000 1.328 95 Y HN 0.552 nan 8.280 nan 0.000 0.588 96 A N 1.028 124.047 122.820 0.332 0.000 1.969 96 A HA 0.002 4.322 4.320 -0.000 0.000 0.218 96 A C 0.703 178.392 177.584 0.174 0.000 1.169 96 A CA 1.395 53.584 52.037 0.253 0.000 0.635 96 A CB -0.288 18.864 19.000 0.253 0.000 0.810 96 A HN 0.696 nan 8.150 nan 0.000 0.445 97 C N -1.343 118.019 119.300 0.103 0.000 3.171 97 C HA 0.600 5.060 4.460 -0.000 0.000 0.336 97 C C -0.925 174.043 174.990 -0.036 0.000 1.198 97 C CA -0.138 58.835 59.018 -0.074 0.000 1.319 97 C CB 0.916 28.474 27.740 -0.304 0.000 1.682 97 C HN 1.118 nan 8.230 nan 0.000 0.497 98 V N 2.931 122.814 119.914 -0.052 0.000 3.202 98 V HA 0.936 5.056 4.120 -0.000 0.000 0.306 98 V C -1.244 174.823 176.094 -0.045 0.000 1.283 98 V CA -0.496 61.782 62.300 -0.037 0.000 1.065 98 V CB 2.119 33.961 31.823 0.031 0.000 1.079 98 V HN 1.229 nan 8.190 nan 0.000 0.448 99 N N -1.686 116.991 118.700 -0.038 0.000 3.039 99 N HA 0.405 5.145 4.740 -0.000 0.000 0.257 99 N C -0.147 175.348 175.510 -0.025 0.000 1.497 99 N CA -0.293 52.740 53.050 -0.029 0.000 0.861 99 N CB 0.400 38.866 38.487 -0.035 0.000 1.479 99 N HN 0.548 nan 8.380 nan 0.000 0.547 100 D N -0.593 119.794 120.400 -0.022 0.000 2.384 100 D HA -0.135 4.505 4.640 -0.000 0.000 0.222 100 D C 0.312 176.598 176.300 -0.023 0.000 0.976 100 D CA 1.033 55.020 54.000 -0.020 0.000 0.915 100 D CB 0.359 41.147 40.800 -0.019 0.000 0.896 100 D HN 0.710 nan 8.370 nan 0.000 0.523 101 E N -0.278 119.905 120.200 -0.029 0.000 2.473 101 E HA 0.251 4.601 4.350 -0.000 0.000 0.204 101 E C 0.749 177.324 176.600 -0.040 0.000 0.994 101 E CA 0.033 56.414 56.400 -0.031 0.000 0.945 101 E CB 0.726 30.407 29.700 -0.031 0.000 0.990 101 E HN 0.188 nan 8.360 nan 0.000 0.493 102 G N -0.202 108.569 108.800 -0.049 0.000 2.332 102 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.265 102 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.265 102 G C -1.321 173.514 174.900 -0.108 0.000 1.329 102 G CA -0.429 44.627 45.100 -0.073 0.000 0.949 102 G HN -0.014 nan 8.290 nan 0.000 0.476 103 V N 1.120 120.923 119.914 -0.184 0.000 2.488 103 V HA 0.362 4.482 4.120 -0.000 0.000 0.277 103 V C 1.424 177.417 176.094 -0.169 0.000 1.046 103 V CA 0.034 62.174 62.300 -0.267 0.000 0.986 103 V CB 1.089 32.577 31.823 -0.558 0.000 0.989 103 V HN 0.715 nan 8.190 nan 0.000 0.475 104 V N 2.381 122.221 119.914 -0.124 0.000 2.575 104 V HA 0.126 4.246 4.120 -0.000 0.000 0.242 104 V C 0.524 176.581 176.094 -0.062 0.000 1.045 104 V CA 1.125 63.372 62.300 -0.088 0.000 1.065 104 V CB 0.079 31.846 31.823 -0.093 0.000 0.717 104 V HN 0.952 nan 8.190 nan 0.000 0.467 105 D N -0.791 119.586 120.400 -0.039 0.000 2.686 105 D HA 0.521 5.161 4.640 -0.000 0.000 0.249 105 D C 0.288 176.631 176.300 0.072 0.000 1.260 105 D CA 0.135 54.149 54.000 0.023 0.000 0.910 105 D CB 1.993 42.834 40.800 0.067 0.000 1.323 105 D HN 0.094 nan 8.370 nan 0.000 0.561 106 A N 2.691 125.549 122.820 0.063 0.000 2.275 106 A HA 0.186 4.506 4.320 -0.000 0.000 0.212 106 A C 0.944 178.659 177.584 0.219 0.000 1.201 106 A CA 0.147 52.290 52.037 0.176 0.000 0.843 106 A CB -0.306 18.734 19.000 0.066 0.000 0.873 106 A HN 0.536 nan 8.150 nan 0.000 0.492 107 S N 0.676 116.469 115.700 0.155 0.000 2.573 107 S HA 0.296 4.766 4.470 -0.000 0.000 0.277 107 S C -0.240 174.482 174.600 0.202 0.000 1.346 107 S CA -0.240 58.043 58.200 0.139 0.000 1.034 107 S CB 0.602 63.892 63.200 0.150 0.000 0.879 107 S HN 0.185 nan 8.310 nan 0.000 0.528 108 K N 2.670 123.173 120.400 0.171 0.000 2.347 108 K HA 0.300 4.620 4.320 -0.000 0.000 0.262 108 K C -0.518 176.380 176.600 0.496 0.000 1.052 108 K CA -0.021 56.458 56.287 0.320 0.000 0.946 108 K CB 1.074 33.575 32.500 0.003 0.000 1.220 108 K HN 0.709 nan 8.250 nan 0.000 0.450 109 Q N 0.327 120.401 119.800 0.457 0.000 2.278 109 Q HA 0.256 4.596 4.340 -0.000 0.000 0.257 109 Q C 1.360 177.458 176.000 0.163 0.000 0.928 109 Q CA -0.366 55.666 55.803 0.380 0.000 0.932 109 Q CB 1.480 30.378 28.738 0.267 0.000 1.221 109 Q HN 0.750 nan 8.270 nan 0.000 0.434 110 G N 2.020 110.959 108.800 0.231 0.000 2.514 110 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.217 110 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.217 110 G C 1.198 176.072 174.900 -0.043 0.000 1.198 110 G CA 1.553 46.550 45.100 -0.172 0.000 0.780 110 G HN 0.886 nan 8.290 nan 0.000 0.565 111 Y N 0.583 121.034 120.300 0.252 0.000 2.193 111 Y HA -0.151 4.399 4.550 -0.000 0.000 0.285 111 Y C 2.668 178.681 175.900 0.189 0.000 1.166 111 Y CA 1.999 60.255 58.100 0.261 0.000 1.181 111 Y CB -0.555 38.052 38.460 0.244 0.000 0.976 111 Y HN 0.307 nan 8.280 nan 0.000 0.520 112 Q N -0.535 118.933 119.800 -0.553 0.000 2.230 112 Q HA -0.143 4.197 4.340 -0.000 0.000 0.202 112 Q C 1.888 177.756 176.000 -0.219 0.000 0.963 112 Q CA 1.225 56.823 55.803 -0.341 0.000 0.866 112 Q CB -0.264 28.247 28.738 -0.378 0.000 0.931 112 Q HN 0.753 nan 8.270 nan 0.000 0.452 113 H N -1.160 117.682 119.070 -0.379 0.000 2.482 113 H HA -0.010 4.546 4.556 -0.000 0.000 0.286 113 H C 1.455 176.548 175.328 -0.391 0.000 1.017 113 H CA 0.716 56.511 56.048 -0.420 0.000 1.322 113 H CB 0.281 29.542 29.762 -0.836 0.000 1.426 113 H HN 0.221 nan 8.280 nan 0.000 0.546 114 F N -0.301 119.595 119.950 -0.090 0.000 2.325 114 F HA -0.083 4.444 4.527 -0.000 0.000 0.299 114 F C 2.011 177.674 175.800 -0.229 0.000 1.090 114 F CA 0.464 58.378 58.000 -0.143 0.000 1.392 114 F CB -0.473 38.402 39.000 -0.209 0.000 1.053 114 F HN 0.032 nan 8.300 nan 0.000 0.521 115 F N -0.071 119.839 119.950 -0.067 0.000 2.325 115 F HA 0.015 4.542 4.527 -0.000 0.000 0.299 115 F C 2.367 178.018 175.800 -0.248 0.000 1.090 115 F CA 0.669 58.546 58.000 -0.204 0.000 1.392 115 F CB -0.980 37.864 39.000 -0.260 0.000 1.053 115 F HN -0.066 nan 8.300 nan 0.000 0.521 116 A N -0.490 122.249 122.820 -0.135 0.000 1.929 116 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 116 A C 2.093 179.558 177.584 -0.198 0.000 1.176 116 A CA 1.171 52.993 52.037 -0.358 0.000 0.628 116 A CB -0.943 17.600 19.000 -0.761 0.000 0.816 116 A HN 0.311 nan 8.150 nan 0.000 0.444 117 L N -0.700 120.480 121.223 -0.071 0.000 2.093 117 L HA -0.085 4.255 4.340 -0.000 0.000 0.208 117 L C 2.226 179.085 176.870 -0.019 0.000 1.085 117 L CA 1.848 56.692 54.840 0.005 0.000 0.755 117 L CB -0.517 41.617 42.059 0.126 0.000 0.904 117 L HN 0.381 nan 8.230 nan 0.000 0.435 118 L N -0.395 120.814 121.223 -0.023 0.000 2.005 118 L HA 0.036 4.376 4.340 -0.000 0.000 0.207 118 L C 2.365 179.248 176.870 0.022 0.000 1.072 118 L CA 2.101 56.927 54.840 -0.023 0.000 0.744 118 L CB -1.448 40.562 42.059 -0.082 0.000 0.895 118 L HN 0.262 nan 8.230 nan 0.000 0.433 119 G N -0.913 107.888 108.800 0.001 0.000 2.469 119 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.219 119 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.219 119 G C 1.585 176.485 174.900 -0.000 0.000 1.150 119 G CA 0.995 46.107 45.100 0.020 0.000 0.763 119 G HN 0.672 nan 8.290 nan 0.000 0.561 120 A N 1.144 123.944 122.820 -0.034 0.000 1.877 120 A HA 0.288 4.608 4.320 -0.000 0.000 0.216 120 A C 2.848 180.429 177.584 -0.006 0.000 1.186 120 A CA 2.318 54.343 52.037 -0.020 0.000 0.620 120 A CB -0.871 18.127 19.000 -0.003 0.000 0.822 120 A HN 0.834 nan 8.150 nan 0.000 0.443 121 A N -0.661 122.152 122.820 -0.012 0.000 1.902 121 A HA -0.066 4.254 4.320 -0.000 0.000 0.217 121 A C 2.446 180.041 177.584 0.019 0.000 1.181 121 A CA 2.113 54.139 52.037 -0.019 0.000 0.623 121 A CB -0.816 18.159 19.000 -0.042 0.000 0.818 121 A HN 0.448 nan 8.150 nan 0.000 0.443 122 S N -0.247 115.494 115.700 0.068 0.000 2.368 122 S HA 0.024 4.494 4.470 -0.000 0.000 0.224 122 S C 2.293 176.914 174.600 0.035 0.000 1.029 122 S CA 1.006 59.256 58.200 0.083 0.000 0.988 122 S CB -0.424 62.892 63.200 0.192 0.000 0.838 122 S HN 0.791 nan 8.310 nan 0.000 0.462 123 A N 1.036 123.870 122.820 0.023 0.000 1.978 123 A HA -0.049 4.271 4.320 -0.000 0.000 0.220 123 A C 2.240 179.847 177.584 0.038 0.000 1.170 123 A CA 1.244 53.285 52.037 0.006 0.000 0.636 123 A CB -0.808 18.167 19.000 -0.042 0.000 0.810 123 A HN 0.344 nan 8.150 nan 0.000 0.448 124 V N 0.681 120.613 119.914 0.030 0.000 2.594 124 V HA -0.210 3.910 4.120 -0.000 0.000 0.253 124 V C 2.865 178.984 176.094 0.041 0.000 1.069 124 V CA 2.266 64.589 62.300 0.038 0.000 1.082 124 V CB -1.105 30.724 31.823 0.009 0.000 0.680 124 V HN 0.874 nan 8.190 nan 0.000 0.469 125 T N -2.292 112.282 114.554 0.032 0.000 3.113 125 T HA -0.129 4.221 4.350 -0.000 0.000 0.263 125 T C 1.679 176.409 174.700 0.051 0.000 1.143 125 T CA 1.382 63.498 62.100 0.027 0.000 1.090 125 T CB -0.450 68.428 68.868 0.017 0.000 0.922 125 T HN 0.633 nan 8.240 nan 0.000 0.521 126 T N -2.435 112.176 114.554 0.094 0.000 3.067 126 T HA 0.400 4.750 4.350 -0.000 0.000 0.257 126 T C 2.037 176.836 174.700 0.165 0.000 1.105 126 T CA 0.752 62.945 62.100 0.154 0.000 1.104 126 T CB -0.578 68.456 68.868 0.277 0.000 0.925 126 T HN 0.921 nan 8.240 nan 0.000 0.498 127 G N 1.120 110.006 108.800 0.143 0.000 2.176 127 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.253 127 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.253 127 G C 0.032 175.040 174.900 0.180 0.000 0.979 127 G CA 0.207 45.375 45.100 0.114 0.000 0.641 127 G HN 0.918 nan 8.290 nan 0.000 0.530 128 H N 2.146 121.337 119.070 0.201 0.000 3.125 128 H HA 0.101 4.657 4.556 0.000 0.000 0.310 128 H C -0.699 174.693 175.328 0.106 0.000 0.980 128 H CA -0.048 56.131 56.048 0.219 0.000 1.422 128 H CB 0.960 30.782 29.762 0.100 0.000 1.432 128 H HN 0.120 nan 8.280 nan 0.000 0.577 129 P HA -0.162 nan 4.420 nan 0.000 0.218 129 P C 0.784 178.179 177.300 0.157 0.000 1.146 129 P CA 1.275 64.397 63.100 0.036 0.000 0.820 129 P CB 0.423 32.080 31.700 -0.071 0.000 0.778 130 E N -1.630 118.804 120.200 0.391 0.000 2.452 130 E HA 0.166 4.516 4.350 -0.000 0.000 0.197 130 E C 1.910 178.604 176.600 0.156 0.000 1.022 130 E CA 0.409 56.959 56.400 0.250 0.000 0.890 130 E CB -0.573 29.271 29.700 0.239 0.000 0.918 130 E HN 0.130 nan 8.360 nan 0.000 0.496 131 A N 1.926 124.855 122.820 0.181 0.000 1.859 131 A HA -0.252 4.068 4.320 -0.000 0.000 0.217 131 A C 2.266 179.892 177.584 0.070 0.000 1.198 131 A CA 2.118 54.198 52.037 0.073 0.000 0.629 131 A CB -0.428 18.625 19.000 0.089 0.000 0.830 131 A HN 0.110 nan 8.150 nan 0.000 0.446 132 R N 0.186 120.733 120.500 0.077 0.000 2.127 132 R HA -0.133 4.207 4.340 -0.000 0.000 0.238 132 R C 2.123 178.468 176.300 0.076 0.000 1.134 132 R CA 2.180 58.316 56.100 0.060 0.000 0.975 132 R CB -0.465 29.865 30.300 0.051 0.000 0.865 132 R HN 0.627 nan 8.270 nan 0.000 0.447 133 K N -0.458 119.994 120.400 0.086 0.000 2.057 133 K HA -0.138 4.182 4.320 -0.000 0.000 0.206 133 K C 1.847 178.529 176.600 0.137 0.000 1.050 133 K CA 1.468 57.813 56.287 0.096 0.000 0.935 133 K CB -0.247 32.300 32.500 0.079 0.000 0.715 133 K HN 0.192 nan 8.250 nan 0.000 0.439 134 L N 1.457 122.757 121.223 0.129 0.000 2.056 134 L HA -0.120 4.220 4.340 -0.000 0.000 0.207 134 L C 2.094 179.099 176.870 0.224 0.000 1.078 134 L CA 1.334 56.289 54.840 0.191 0.000 0.749 134 L CB -0.640 41.489 42.059 0.117 0.000 0.901 134 L HN 0.262 nan 8.230 nan 0.000 0.433 135 L N -0.413 120.886 121.223 0.127 0.000 2.017 135 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 135 L C 2.074 179.011 176.870 0.113 0.000 1.073 135 L CA 1.973 56.866 54.840 0.087 0.000 0.745 135 L CB -1.019 41.051 42.059 0.018 0.000 0.894 135 L HN 0.298 nan 8.230 nan 0.000 0.432 136 D N -1.337 119.138 120.400 0.125 0.000 2.123 136 D HA -0.271 4.369 4.640 -0.000 0.000 0.196 136 D C 2.003 178.404 176.300 0.169 0.000 0.992 136 D CA 1.832 55.911 54.000 0.131 0.000 0.833 136 D CB -0.361 40.511 40.800 0.120 0.000 0.954 136 D HN 0.529 nan 8.370 nan 0.000 0.455 137 Y N 1.804 122.168 120.300 0.106 0.000 2.145 137 Y HA -0.216 4.334 4.550 -0.000 0.000 0.286 137 Y C 2.345 178.347 175.900 0.170 0.000 1.145 137 Y CA 1.895 60.060 58.100 0.109 0.000 1.148 137 Y CB -0.626 37.898 38.460 0.107 0.000 0.981 137 Y HN -0.119 nan 8.280 nan 0.000 0.507 138 T N 1.433 116.100 114.554 0.189 0.000 2.720 138 T HA -0.220 4.130 4.350 -0.000 0.000 0.268 138 T C 2.036 176.807 174.700 0.120 0.000 1.037 138 T CA 2.046 64.279 62.100 0.223 0.000 1.144 138 T CB -0.503 68.546 68.868 0.302 0.000 0.864 138 T HN 0.384 nan 8.240 nan 0.000 0.444 139 I N 0.761 121.398 120.570 0.112 0.000 2.226 139 I HA -0.178 3.992 4.170 -0.000 0.000 0.245 139 I C 2.678 178.882 176.117 0.147 0.000 1.100 139 I CA 1.415 62.827 61.300 0.186 0.000 1.374 139 I CB -0.339 37.788 38.000 0.212 0.000 1.057 139 I HN 0.339 nan 8.210 nan 0.000 0.413 140 E N 0.631 120.842 120.200 0.018 0.000 2.058 140 E HA -0.225 4.125 4.350 -0.000 0.000 0.194 140 E C 2.238 178.748 176.600 -0.151 0.000 0.997 140 E CA 1.231 57.590 56.400 -0.068 0.000 0.801 140 E CB 0.030 29.663 29.700 -0.110 0.000 0.746 140 E HN 0.337 nan 8.360 nan 0.000 0.450 141 I N 1.145 121.574 120.570 -0.233 0.000 2.286 141 I HA -0.244 3.926 4.170 -0.000 0.000 0.248 141 I C 2.284 178.431 176.117 0.051 0.000 1.115 141 I CA 1.064 62.253 61.300 -0.184 0.000 1.392 141 I CB -0.854 37.030 38.000 -0.194 0.000 1.065 141 I HN 0.182 nan 8.210 nan 0.000 0.418 142 I N 0.814 121.510 120.570 0.210 0.000 2.202 142 I HA -0.217 3.953 4.170 -0.000 0.000 0.242 142 I C 2.344 178.686 176.117 0.375 0.000 1.091 142 I CA 1.330 62.875 61.300 0.409 0.000 1.368 142 I CB -1.095 37.203 38.000 0.497 0.000 1.058 142 I HN 0.324 nan 8.210 nan 0.000 0.410 143 E N 0.316 120.668 120.200 0.253 0.000 2.338 143 E HA -0.210 4.140 4.350 -0.000 0.000 0.197 143 E C 1.980 178.597 176.600 0.028 0.000 1.007 143 E CA 0.623 57.143 56.400 0.200 0.000 0.849 143 E CB 0.108 29.877 29.700 0.115 0.000 0.774 143 E HN 0.420 nan 8.360 nan 0.000 0.506 144 K N -0.448 119.836 120.400 -0.193 0.000 2.168 144 K HA -0.026 4.294 4.320 -0.000 0.000 0.201 144 K C 0.951 177.095 176.600 -0.759 0.000 1.049 144 K CA 0.702 56.653 56.287 -0.560 0.000 0.974 144 K CB 0.351 32.312 32.500 -0.899 0.000 0.792 144 K HN 0.023 nan 8.250 nan 0.000 0.463 145 Y N -2.140 117.919 120.300 -0.402 0.000 2.526 145 Y HA 0.217 4.767 4.550 -0.000 0.000 0.265 145 Y C 1.026 176.689 175.900 -0.395 0.000 1.092 145 Y CA -0.221 57.455 58.100 -0.706 0.000 1.277 145 Y CB 0.494 37.936 38.460 -1.696 0.000 1.228 145 Y HN -0.057 nan 8.280 nan 0.000 0.507 146 F N -2.246 117.910 119.950 0.345 0.000 2.694 146 F HA 0.138 4.665 4.527 -0.000 0.000 0.292 146 F C 0.741 176.929 175.800 0.647 0.000 1.121 146 F CA -0.342 57.943 58.000 0.474 0.000 1.352 146 F CB 0.263 39.378 39.000 0.192 0.000 1.107 146 F HN 0.002 nan 8.300 nan 0.000 0.597 147 W N 2.505 124.114 121.300 0.516 0.000 2.288 147 W HA 0.407 5.067 4.660 0.000 0.000 0.325 147 W C 0.015 176.696 176.519 0.271 0.000 1.019 147 W CA -0.916 56.693 57.345 0.440 0.000 1.403 147 W CB 1.065 30.750 29.460 0.375 0.000 1.226 147 W HN -0.241 nan 8.180 nan 0.000 0.391 148 S N 4.004 119.534 115.700 -0.283 0.000 2.498 148 S HA -0.071 4.399 4.470 -0.000 0.000 0.281 148 S C 1.233 175.562 174.600 -0.452 0.000 1.265 148 S CA 0.273 58.321 58.200 -0.252 0.000 1.071 148 S CB 0.979 64.092 63.200 -0.146 0.000 0.894 148 S HN 0.660 nan 8.310 nan 0.000 0.491 149 E N 3.729 123.831 120.200 -0.164 0.000 2.047 149 E HA -0.161 4.189 4.350 -0.000 0.000 0.191 149 E C 1.911 178.453 176.600 -0.096 0.000 0.987 149 E CA 1.773 58.125 56.400 -0.080 0.000 0.799 149 E CB -0.056 29.646 29.700 0.004 0.000 0.752 149 E HN 1.008 nan 8.360 nan 0.000 0.449 150 E N 0.070 120.224 120.200 -0.076 0.000 2.112 150 E HA -0.120 4.230 4.350 -0.000 0.000 0.190 150 E C 1.765 178.309 176.600 -0.093 0.000 0.979 150 E CA 0.850 57.214 56.400 -0.059 0.000 0.814 150 E CB -0.202 29.483 29.700 -0.024 0.000 0.762 150 E HN 0.207 nan 8.360 nan 0.000 0.460 151 E N 0.273 120.393 120.200 -0.134 0.000 2.230 151 E HA -0.048 4.302 4.350 -0.000 0.000 0.192 151 E C 0.028 176.433 176.600 -0.326 0.000 0.987 151 E CA 0.158 56.461 56.400 -0.161 0.000 0.841 151 E CB 0.274 29.951 29.700 -0.039 0.000 0.783 151 E HN 0.095 nan 8.360 nan 0.000 0.481 152 Q N -0.200 119.315 119.800 -0.475 0.000 2.460 152 Q HA -0.196 4.144 4.340 -0.000 0.000 0.311 152 Q C -0.627 174.900 176.000 -0.787 0.000 1.396 152 Q CA 0.998 56.449 55.803 -0.587 0.000 0.838 152 Q CB -1.012 27.637 28.738 -0.149 0.000 1.140 152 Q HN 0.252 nan 8.270 nan 0.000 0.415 153 M N -1.586 117.382 119.600 -1.054 0.000 2.880 153 M HA 0.337 4.817 4.480 -0.000 0.000 0.269 153 M C -0.525 175.588 176.300 -0.312 0.000 1.248 153 M CA -0.605 54.329 55.300 -0.611 0.000 0.821 153 M CB 1.539 33.761 32.600 -0.629 0.000 1.650 153 M HN 0.144 nan 8.290 nan 0.000 0.479 154 C N 1.968 121.397 119.300 0.215 0.000 2.330 154 C HA 0.657 5.117 4.460 -0.000 0.000 0.344 154 C C 0.721 176.036 174.990 0.542 0.000 1.273 154 C CA -0.866 58.463 59.018 0.519 0.000 1.879 154 C CB -0.078 28.020 27.740 0.597 0.000 2.376 154 C HN 0.617 nan 8.230 nan 0.000 0.534 155 L N 1.992 123.550 121.223 0.559 0.000 2.476 155 L HA 0.157 4.497 4.340 -0.000 0.000 0.255 155 L C 1.496 178.693 176.870 0.544 0.000 1.218 155 L CA 0.104 55.204 54.840 0.434 0.000 0.819 155 L CB 0.422 42.702 42.059 0.368 0.000 1.119 155 L HN 0.744 nan 8.230 nan 0.000 0.485 156 E N 0.499 120.929 120.200 0.385 0.000 2.079 156 E HA 0.005 4.355 4.350 -0.000 0.000 0.191 156 E C -0.065 176.853 176.600 0.530 0.000 0.961 156 E CA 0.730 57.406 56.400 0.459 0.000 0.823 156 E CB 0.492 30.447 29.700 0.426 0.000 0.789 156 E HN 0.668 nan 8.360 nan 0.000 0.459 157 S N -2.660 113.282 115.700 0.403 0.000 2.611 157 S HA 0.576 5.046 4.470 -0.000 0.000 0.270 157 S C -1.648 173.103 174.600 0.252 0.000 1.131 157 S CA -1.099 57.394 58.200 0.487 0.000 0.826 157 S CB 0.189 63.623 63.200 0.392 0.000 1.095 157 S HN 0.159 nan 8.310 nan 0.000 0.461 158 W N 0.812 122.199 121.300 0.145 0.000 3.032 158 W HA 0.554 5.214 4.660 0.000 0.000 0.341 158 W C -0.596 175.849 176.519 -0.123 0.000 1.202 158 W CA -0.355 56.979 57.345 -0.018 0.000 1.132 158 W CB 0.678 30.084 29.460 -0.089 0.000 1.465 158 W HN 0.865 nan 8.180 nan 0.000 0.576 159 D N 0.068 120.532 120.400 0.108 0.000 2.377 159 D HA 0.002 4.642 4.640 -0.000 0.000 0.245 159 D C 0.926 177.068 176.300 -0.263 0.000 1.196 159 D CA -0.203 53.772 54.000 -0.043 0.000 0.962 159 D CB 0.758 41.535 40.800 -0.039 0.000 1.127 159 D HN 0.700 nan 8.370 nan 0.000 0.471 160 E N 0.259 120.320 120.200 -0.233 0.000 2.086 160 E HA -0.264 4.086 4.350 -0.000 0.000 0.200 160 E C 1.462 177.642 176.600 -0.699 0.000 1.012 160 E CA 1.621 57.832 56.400 -0.315 0.000 0.812 160 E CB -0.250 29.400 29.700 -0.082 0.000 0.743 160 E HN 0.553 nan 8.360 nan 0.000 0.453 161 A N -0.299 122.038 122.820 -0.805 0.000 2.302 161 A HA 0.142 4.462 4.320 -0.000 0.000 0.219 161 A C -0.125 177.114 177.584 -0.576 0.000 1.243 161 A CA -0.069 51.221 52.037 -1.245 0.000 0.856 161 A CB -0.592 17.714 19.000 -1.157 0.000 0.893 161 A HN 0.442 nan 8.150 nan 0.000 0.491 162 F N -0.249 119.434 119.950 -0.446 0.000 2.943 162 F HA -0.277 4.250 4.527 -0.000 0.000 0.258 162 F C 1.701 177.430 175.800 -0.117 0.000 0.995 162 F CA 0.818 58.516 58.000 -0.504 0.000 0.896 162 F CB -2.284 35.916 39.000 -1.333 0.000 0.821 162 F HN 0.426 nan 8.300 nan 0.000 0.828 163 S N -1.653 114.148 115.700 0.168 0.000 2.499 163 S HA 0.166 4.636 4.470 -0.000 0.000 0.225 163 S C 0.570 175.327 174.600 0.262 0.000 1.050 163 S CA 0.461 58.767 58.200 0.176 0.000 0.928 163 S CB 0.778 64.011 63.200 0.054 0.000 0.803 163 S HN 0.476 nan 8.310 nan 0.000 0.506 164 K N 0.836 121.396 120.400 0.267 0.000 2.553 164 K HA 0.374 4.694 4.320 -0.000 0.000 0.250 164 K C -1.493 175.025 176.600 -0.137 0.000 0.953 164 K CA -0.260 56.071 56.287 0.073 0.000 0.800 164 K CB 2.130 34.640 32.500 0.016 0.000 1.243 164 K HN 0.062 nan 8.250 nan 0.000 0.435 165 T N 2.042 116.178 114.554 -0.696 0.000 2.909 165 T HA 0.092 4.442 4.350 -0.000 0.000 0.289 165 T C -0.575 173.855 174.700 -0.451 0.000 1.005 165 T CA -0.366 61.072 62.100 -1.103 0.000 1.084 165 T CB 0.855 68.579 68.868 -1.907 0.000 0.975 165 T HN 0.685 nan 8.240 nan 0.000 0.509 166 E N 2.901 122.944 120.200 -0.262 0.000 2.465 166 E HA -0.033 4.317 4.350 -0.000 0.000 0.260 166 E C -0.172 176.407 176.600 -0.035 0.000 0.980 166 E CA 0.154 56.519 56.400 -0.060 0.000 0.927 166 E CB 0.392 30.132 29.700 0.067 0.000 0.934 166 E HN 0.592 nan 8.360 nan 0.000 0.459 167 E N 4.517 124.723 120.200 0.009 0.000 2.467 167 E HA 0.039 4.389 4.350 -0.000 0.000 0.321 167 E C -1.186 175.480 176.600 0.109 0.000 1.388 167 E CA 0.041 56.451 56.400 0.016 0.000 1.508 167 E CB -0.195 29.516 29.700 0.018 0.000 1.250 167 E HN 0.352 nan 8.360 nan 0.000 0.500 168 Y N -0.058 120.195 120.300 -0.078 0.000 2.592 168 Y HA 0.378 4.928 4.550 -0.000 0.000 0.334 168 Y C -1.573 174.224 175.900 -0.171 0.000 1.136 168 Y CA -1.238 56.809 58.100 -0.087 0.000 1.042 168 Y CB 1.306 39.767 38.460 0.002 0.000 1.325 168 Y HN -0.061 nan 8.280 nan 0.000 0.457 169 R N 3.117 123.034 120.500 -0.973 0.000 2.532 169 R HA 0.652 4.992 4.340 -0.000 0.000 0.297 169 R C -0.764 174.950 176.300 -0.977 0.000 0.984 169 R CA -0.767 54.760 56.100 -0.955 0.000 0.884 169 R CB 1.595 30.814 30.300 -1.802 0.000 1.182 169 R HN 0.927 nan 8.270 nan 0.000 0.442 170 G N -0.388 108.227 108.800 -0.308 0.000 2.453 170 G HA2 0.462 4.422 3.960 -0.000 0.000 0.323 170 G HA3 0.462 4.422 3.960 -0.000 0.000 0.323 170 G C 0.612 175.636 174.900 0.207 0.000 1.198 170 G CA -0.487 44.627 45.100 0.023 0.000 0.959 170 G HN 0.481 nan 8.290 nan 0.000 0.482 171 G N -0.012 108.935 108.800 0.245 0.000 2.421 171 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.217 171 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.217 171 G C 1.416 176.481 174.900 0.276 0.000 1.143 171 G CA 0.858 46.164 45.100 0.343 0.000 0.784 171 G HN 0.615 nan 8.290 nan 0.000 0.541 172 N N 1.100 119.846 118.700 0.076 0.000 2.188 172 N HA -0.085 4.655 4.740 -0.000 0.000 0.184 172 N C 2.487 178.019 175.510 0.038 0.000 1.018 172 N CA 1.173 54.157 53.050 -0.110 0.000 0.858 172 N CB -0.100 38.288 38.487 -0.166 0.000 0.989 172 N HN 0.233 nan 8.380 nan 0.000 0.426 173 A N 0.939 123.883 122.820 0.206 0.000 1.898 173 A HA -0.106 4.214 4.320 -0.000 0.000 0.216 173 A C 1.953 179.608 177.584 0.118 0.000 1.181 173 A CA 1.394 53.637 52.037 0.344 0.000 0.620 173 A CB -0.612 18.686 19.000 0.498 0.000 0.819 173 A HN 0.402 nan 8.150 nan 0.000 0.442 174 N N -0.949 117.825 118.700 0.123 0.000 2.270 174 N HA -0.049 4.691 4.740 -0.000 0.000 0.181 174 N C 1.711 177.094 175.510 -0.213 0.000 1.016 174 N CA 1.389 54.452 53.050 0.020 0.000 0.870 174 N CB -0.290 38.355 38.487 0.263 0.000 0.979 174 N HN 0.576 nan 8.380 nan 0.000 0.431 175 M N -0.126 119.274 119.600 -0.332 0.000 2.132 175 M HA -0.149 4.331 4.480 -0.000 0.000 0.263 175 M C 1.222 176.978 176.300 -0.908 0.000 1.065 175 M CA 1.576 56.219 55.300 -1.096 0.000 1.122 175 M CB -0.043 31.649 32.600 -1.512 0.000 1.365 175 M HN 0.275 nan 8.290 nan 0.000 0.411 176 H N -0.259 118.470 119.070 -0.569 0.000 2.524 176 H HA 0.084 4.640 4.556 -0.000 0.000 0.282 176 H C 2.008 176.909 175.328 -0.711 0.000 1.016 176 H CA 1.273 56.950 56.048 -0.619 0.000 1.270 176 H CB -0.183 29.151 29.762 -0.714 0.000 1.394 176 H HN 0.529 nan 8.280 nan 0.000 0.568 177 A N 0.476 122.745 122.820 -0.918 0.000 1.897 177 A HA -0.056 4.264 4.320 -0.000 0.000 0.215 177 A C 2.740 179.426 177.584 -1.496 0.000 1.181 177 A CA 0.947 51.981 52.037 -1.672 0.000 0.620 177 A CB -0.665 16.965 19.000 -2.283 0.000 0.821 177 A HN 0.183 nan 8.150 nan 0.000 0.443 178 V N 0.388 119.780 119.914 -0.870 0.000 2.287 178 V HA -0.311 3.809 4.120 -0.000 0.000 0.248 178 V C 2.579 178.491 176.094 -0.303 0.000 1.053 178 V CA 2.460 64.502 62.300 -0.429 0.000 1.027 178 V CB -0.697 30.945 31.823 -0.302 0.000 0.646 178 V HN 0.810 nan 8.190 nan 0.000 0.447 179 E N 0.275 120.253 120.200 -0.369 0.000 2.058 179 E HA -0.254 4.096 4.350 -0.000 0.000 0.194 179 E C 2.181 178.694 176.600 -0.146 0.000 0.997 179 E CA 1.622 57.891 56.400 -0.217 0.000 0.801 179 E CB -0.252 29.333 29.700 -0.192 0.000 0.746 179 E HN 0.559 nan 8.360 nan 0.000 0.450 180 A N 0.305 122.997 122.820 -0.213 0.000 1.969 180 A HA -0.103 4.217 4.320 -0.000 0.000 0.218 180 A C 1.860 179.497 177.584 0.089 0.000 1.169 180 A CA 0.904 52.892 52.037 -0.081 0.000 0.635 180 A CB -0.641 18.323 19.000 -0.060 0.000 0.810 180 A HN 0.334 nan 8.150 nan 0.000 0.445 181 F N 0.147 120.074 119.950 -0.037 0.000 2.171 181 F HA -0.098 4.429 4.527 -0.000 0.000 0.300 181 F C 2.062 177.902 175.800 0.066 0.000 1.090 181 F CA 0.484 58.509 58.000 0.041 0.000 1.293 181 F CB -1.204 37.854 39.000 0.097 0.000 1.013 181 F HN 0.112 nan 8.300 nan 0.000 0.486 182 L N -0.595 120.763 121.223 0.225 0.000 2.017 182 L HA -0.246 4.094 4.340 -0.000 0.000 0.208 182 L C 2.420 179.402 176.870 0.188 0.000 1.073 182 L CA 0.834 55.785 54.840 0.185 0.000 0.745 182 L CB -0.588 41.514 42.059 0.073 0.000 0.894 182 L HN 0.022 nan 8.230 nan 0.000 0.432 183 I N -0.965 119.659 120.570 0.091 0.000 2.353 183 I HA -0.171 3.999 4.170 -0.000 0.000 0.248 183 I C 2.543 178.662 176.117 0.004 0.000 1.119 183 I CA 1.098 62.429 61.300 0.052 0.000 1.417 183 I CB -1.057 36.965 38.000 0.038 0.000 1.078 183 I HN 0.049 nan 8.210 nan 0.000 0.421 184 V N 0.692 120.569 119.914 -0.062 0.000 2.407 184 V HA -0.310 3.810 4.120 -0.000 0.000 0.248 184 V C 2.475 178.474 176.094 -0.159 0.000 1.055 184 V CA 1.791 63.923 62.300 -0.280 0.000 1.049 184 V CB -1.039 30.334 31.823 -0.750 0.000 0.662 184 V HN 0.381 nan 8.190 nan 0.000 0.455 185 Y N 1.556 121.826 120.300 -0.049 0.000 2.181 185 Y HA -0.218 4.332 4.550 0.000 0.000 0.288 185 Y C 2.284 178.273 175.900 0.148 0.000 1.146 185 Y CA 1.882 60.056 58.100 0.123 0.000 1.164 185 Y CB -0.414 38.148 38.460 0.169 0.000 0.982 185 Y HN 0.312 nan 8.280 nan 0.000 0.515 186 D N -0.149 120.232 120.400 -0.031 0.000 2.178 186 D HA -0.123 4.517 4.640 -0.000 0.000 0.201 186 D C 1.918 178.099 176.300 -0.198 0.000 0.980 186 D CA 1.869 55.808 54.000 -0.103 0.000 0.842 186 D CB -0.248 40.564 40.800 0.020 0.000 0.948 186 D HN 0.440 nan 8.370 nan 0.000 0.472 187 V N -1.389 118.431 119.914 -0.156 0.000 3.514 187 V HA 0.240 4.360 4.120 -0.000 0.000 0.301 187 V C 1.286 177.275 176.094 -0.174 0.000 1.346 187 V CA 1.022 63.218 62.300 -0.173 0.000 1.156 187 V CB -0.051 31.710 31.823 -0.103 0.000 1.029 187 V HN 0.145 nan 8.190 nan 0.000 0.428 188 T N -4.988 109.466 114.554 -0.168 0.000 3.074 188 T HA 0.189 4.539 4.350 -0.000 0.000 0.258 188 T C 0.663 175.361 174.700 -0.003 0.000 0.891 188 T CA 0.673 62.736 62.100 -0.062 0.000 0.867 188 T CB -0.624 68.275 68.868 0.052 0.000 1.261 188 T HN 0.497 nan 8.240 nan 0.000 0.537 189 H N 2.122 121.073 119.070 -0.198 0.000 2.626 189 H HA -0.126 4.430 4.556 -0.000 0.000 0.317 189 H C -0.896 174.429 175.328 -0.005 0.000 1.140 189 H CA 0.549 56.441 56.048 -0.261 0.000 1.134 189 H CB -0.861 28.790 29.762 -0.185 0.000 1.486 189 H HN 0.445 nan 8.280 nan 0.000 0.417 190 D N 1.064 121.621 120.400 0.261 0.000 2.472 190 D HA 0.069 4.709 4.640 -0.000 0.000 0.234 190 D C 1.180 177.694 176.300 0.357 0.000 1.088 190 D CA -0.578 53.584 54.000 0.271 0.000 0.882 190 D CB 0.701 41.683 40.800 0.303 0.000 1.037 190 D HN 0.580 nan 8.370 nan 0.000 0.520 191 K N 3.506 124.066 120.400 0.267 0.000 2.293 191 K HA -0.250 4.070 4.320 -0.000 0.000 0.204 191 K C 1.538 178.121 176.600 -0.029 0.000 1.045 191 K CA 0.923 57.309 56.287 0.164 0.000 0.933 191 K CB 0.089 32.627 32.500 0.064 0.000 0.736 191 K HN 0.254 nan 8.250 nan 0.000 0.463 192 K N 0.802 121.121 120.400 -0.135 0.000 2.089 192 K HA -0.198 4.122 4.320 -0.000 0.000 0.210 192 K C 1.510 177.776 176.600 -0.557 0.000 1.048 192 K CA 2.118 58.164 56.287 -0.402 0.000 0.926 192 K CB -0.282 31.856 32.500 -0.604 0.000 0.714 192 K HN 0.426 nan 8.250 nan 0.000 0.448 193 W N 0.517 121.681 121.300 -0.226 0.000 2.402 193 W HA -0.086 4.574 4.660 -0.000 0.000 0.286 193 W C 1.981 178.330 176.519 -0.283 0.000 1.221 193 W CA -0.067 57.065 57.345 -0.355 0.000 1.257 193 W CB -0.191 29.184 29.460 -0.141 0.000 1.120 193 W HN 0.160 nan 8.180 nan 0.000 0.551 194 L N 0.221 121.389 121.223 -0.093 0.000 2.209 194 L HA -0.063 4.277 4.340 -0.000 0.000 0.207 194 L C 1.744 178.515 176.870 -0.164 0.000 1.094 194 L CA 1.819 56.505 54.840 -0.257 0.000 0.790 194 L CB -0.750 40.883 42.059 -0.710 0.000 0.932 194 L HN -0.178 nan 8.230 nan 0.000 0.447 195 D N -0.272 120.024 120.400 -0.174 0.000 2.097 195 D HA -0.176 4.463 4.640 -0.000 0.000 0.195 195 D C 2.256 178.503 176.300 -0.089 0.000 0.989 195 D CA 1.196 55.122 54.000 -0.123 0.000 0.827 195 D CB -0.015 40.702 40.800 -0.139 0.000 0.966 195 D HN 0.327 nan 8.370 nan 0.000 0.456 196 R N 0.814 121.180 120.500 -0.224 0.000 2.081 196 R HA -0.061 4.279 4.340 -0.000 0.000 0.235 196 R C 2.388 178.757 176.300 0.115 0.000 1.131 196 R CA 1.245 57.210 56.100 -0.225 0.000 0.960 196 R CB -0.319 29.395 30.300 -0.976 0.000 0.856 196 R HN 0.090 nan 8.270 nan 0.000 0.436 197 A N 1.375 124.299 122.820 0.173 0.000 1.873 197 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 197 A C 2.173 179.885 177.584 0.213 0.000 1.193 197 A CA 1.462 53.670 52.037 0.285 0.000 0.629 197 A CB -0.619 18.508 19.000 0.212 0.000 0.826 197 A HN 0.336 nan 8.150 nan 0.000 0.447 198 I N -0.995 119.658 120.570 0.138 0.000 2.394 198 I HA -0.239 3.931 4.170 -0.000 0.000 0.251 198 I C 2.613 178.882 176.117 0.253 0.000 1.136 198 I CA 1.740 63.151 61.300 0.184 0.000 1.425 198 I CB -0.107 37.950 38.000 0.094 0.000 1.079 198 I HN 0.422 nan 8.210 nan 0.000 0.425 199 R N 0.717 121.326 120.500 0.181 0.000 2.073 199 R HA -0.143 4.197 4.340 -0.000 0.000 0.234 199 R C 1.921 178.296 176.300 0.126 0.000 1.134 199 R CA 2.324 58.511 56.100 0.145 0.000 0.952 199 R CB -1.228 29.172 30.300 0.166 0.000 0.850 199 R HN 0.221 nan 8.270 nan 0.000 0.433 200 V N 1.164 121.204 119.914 0.210 0.000 2.332 200 V HA -0.202 3.918 4.120 -0.000 0.000 0.248 200 V C 2.452 178.630 176.094 0.139 0.000 1.055 200 V CA 2.044 64.441 62.300 0.162 0.000 1.038 200 V CB -1.077 30.922 31.823 0.292 0.000 0.651 200 V HN 0.592 nan 8.190 nan 0.000 0.450 201 A N 0.636 123.628 122.820 0.286 0.000 1.930 201 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 201 A C 2.540 180.224 177.584 0.166 0.000 1.175 201 A CA 2.002 54.226 52.037 0.312 0.000 0.627 201 A CB -0.673 18.628 19.000 0.502 0.000 0.815 201 A HN 0.684 nan 8.150 nan 0.000 0.443 202 S N -0.420 115.365 115.700 0.142 0.000 2.382 202 S HA -0.117 4.353 4.470 -0.000 0.000 0.228 202 S C 1.765 176.235 174.600 -0.218 0.000 1.027 202 S CA 1.438 59.504 58.200 -0.223 0.000 0.991 202 S CB -0.855 62.203 63.200 -0.235 0.000 0.823 202 S HN 0.216 nan 8.310 nan 0.000 0.469 203 V N 1.926 121.721 119.914 -0.198 0.000 2.270 203 V HA -0.036 4.084 4.120 -0.000 0.000 0.245 203 V C 2.478 178.399 176.094 -0.288 0.000 1.043 203 V CA 1.882 64.013 62.300 -0.282 0.000 1.014 203 V CB -0.550 31.021 31.823 -0.420 0.000 0.645 203 V HN 0.496 nan 8.190 nan 0.000 0.447 204 I N -0.897 119.480 120.570 -0.321 0.000 2.406 204 I HA -0.120 4.050 4.170 -0.000 0.000 0.249 204 I C 2.062 177.952 176.117 -0.378 0.000 1.122 204 I CA 0.993 62.090 61.300 -0.339 0.000 1.431 204 I CB -0.079 37.649 38.000 -0.454 0.000 1.087 204 I HN 0.221 nan 8.210 nan 0.000 0.424 205 I N -0.243 120.095 120.570 -0.386 0.000 2.681 205 I HA -0.136 4.034 4.170 -0.000 0.000 0.247 205 I C 2.519 178.552 176.117 -0.139 0.000 1.091 205 I CA 1.410 62.549 61.300 -0.269 0.000 1.442 205 I CB -1.472 36.444 38.000 -0.141 0.000 1.219 205 I HN 0.192 nan 8.210 nan 0.000 0.451 206 H N 1.417 120.346 119.070 -0.235 0.000 2.457 206 H HA -0.109 4.447 4.556 -0.000 0.000 0.294 206 H C 1.387 176.497 175.328 -0.364 0.000 1.064 206 H CA 1.808 57.636 56.048 -0.366 0.000 1.330 206 H CB 0.222 29.430 29.762 -0.923 0.000 1.395 206 H HN 0.220 nan 8.280 nan 0.000 0.541 207 D N -1.517 118.664 120.400 -0.365 0.000 2.338 207 D HA 0.022 4.662 4.640 -0.000 0.000 0.208 207 D C 1.855 177.974 176.300 -0.302 0.000 0.997 207 D CA 0.674 54.461 54.000 -0.355 0.000 0.880 207 D CB 0.527 41.175 40.800 -0.254 0.000 0.980 207 D HN 0.278 nan 8.370 nan 0.000 0.509 208 V N 0.731 120.487 119.914 -0.263 0.000 2.721 208 V HA 0.177 4.297 4.120 -0.000 0.000 0.236 208 V C 2.343 178.238 176.094 -0.331 0.000 1.116 208 V CA 0.963 63.117 62.300 -0.243 0.000 1.148 208 V CB -0.519 31.248 31.823 -0.094 0.000 0.886 208 V HN 0.085 nan 8.190 nan 0.000 0.490 209 A N 0.705 123.327 122.820 -0.329 0.000 1.883 209 A HA -0.285 4.035 4.320 -0.000 0.000 0.217 209 A C 2.300 179.548 177.584 -0.560 0.000 1.186 209 A CA 2.421 54.225 52.037 -0.387 0.000 0.624 209 A CB -0.667 18.148 19.000 -0.308 0.000 0.822 209 A HN 0.456 nan 8.150 nan 0.000 0.444 210 R N -0.453 119.679 120.500 -0.614 0.000 2.139 210 R HA -0.165 4.175 4.340 -0.000 0.000 0.243 210 R C 0.966 176.820 176.300 -0.744 0.000 1.145 210 R CA 1.859 57.401 56.100 -0.929 0.000 0.976 210 R CB -0.265 29.678 30.300 -0.594 0.000 0.866 210 R HN 0.528 nan 8.270 nan 0.000 0.449 211 N N -0.361 118.009 118.700 -0.552 0.000 2.336 211 N HA 0.006 4.746 4.740 -0.000 0.000 0.189 211 N C -0.253 174.944 175.510 -0.521 0.000 1.113 211 N CA 0.311 53.077 53.050 -0.474 0.000 0.858 211 N CB 0.382 38.645 38.487 -0.373 0.000 0.970 211 N HN 0.263 nan 8.380 nan 0.000 0.471 212 N N 0.070 118.441 118.700 -0.548 0.000 2.541 212 N HA 0.012 4.752 4.740 -0.000 0.000 0.297 212 N C -0.779 174.500 175.510 -0.385 0.000 1.503 212 N CA -0.122 52.630 53.050 -0.497 0.000 0.919 212 N CB -0.056 38.168 38.487 -0.438 0.000 1.305 212 N HN 0.149 nan 8.380 nan 0.000 0.501 213 H N -0.214 118.698 119.070 -0.262 0.000 2.861 213 H HA -0.218 4.338 4.556 -0.000 0.000 0.289 213 H C -0.420 174.844 175.328 -0.107 0.000 1.176 213 H CA 1.338 57.302 56.048 -0.140 0.000 1.146 213 H CB -1.959 27.776 29.762 -0.046 0.000 1.330 213 H HN 0.608 nan 8.280 nan 0.000 0.379 214 Y N -2.319 117.871 120.300 -0.184 0.000 4.668 214 Y HA -0.307 4.243 4.550 -0.000 0.000 0.234 214 Y C 0.836 176.355 175.900 -0.635 0.000 1.056 214 Y CA 1.093 59.025 58.100 -0.280 0.000 2.025 214 Y CB -1.041 37.343 38.460 -0.128 0.000 1.613 214 Y HN 0.326 nan 8.280 nan 0.000 0.653 215 R N 0.748 120.900 120.500 -0.580 0.000 2.202 215 R HA 0.447 4.787 4.340 -0.000 0.000 0.334 215 R C -0.167 175.741 176.300 -0.654 0.000 1.036 215 R CA -0.623 54.854 56.100 -1.040 0.000 0.878 215 R CB 1.214 31.347 30.300 -0.278 0.000 1.067 215 R HN -0.069 nan 8.270 nan 0.000 0.457 216 V N 4.051 123.444 119.914 -0.870 0.000 2.521 216 V HA -0.033 4.087 4.120 -0.000 0.000 0.286 216 V C 0.823 176.931 176.094 0.024 0.000 1.034 216 V CA -0.257 61.861 62.300 -0.304 0.000 1.045 216 V CB 0.675 32.422 31.823 -0.127 0.000 0.974 216 V HN 0.705 nan 8.190 nan 0.000 0.480 217 N N 4.305 122.955 118.700 -0.084 0.000 2.444 217 N HA 0.097 4.837 4.740 -0.000 0.000 0.271 217 N C 0.628 176.090 175.510 -0.081 0.000 1.069 217 N CA -0.288 52.688 53.050 -0.123 0.000 0.965 217 N CB 1.515 39.732 38.487 -0.450 0.000 1.092 217 N HN 0.720 nan 8.380 nan 0.000 0.476 218 E N 1.991 122.093 120.200 -0.163 0.000 2.166 218 E HA 0.010 4.360 4.350 -0.000 0.000 0.192 218 E C -0.296 176.082 176.600 -0.371 0.000 0.967 218 E CA 0.625 56.883 56.400 -0.236 0.000 0.840 218 E CB 0.241 29.695 29.700 -0.409 0.000 0.795 218 E HN 0.642 nan 8.360 nan 0.000 0.470 219 H N -0.571 118.379 119.070 -0.199 0.000 2.489 219 H HA 0.333 4.889 4.556 -0.000 0.000 0.322 219 H C -0.494 174.440 175.328 -0.657 0.000 1.091 219 H CA -0.018 55.796 56.048 -0.390 0.000 1.291 219 H CB 0.285 29.804 29.762 -0.404 0.000 1.436 219 H HN -0.119 nan 8.280 nan 0.000 0.480 220 F N 0.715 120.345 119.950 -0.534 0.000 2.613 220 F HA 0.146 4.673 4.527 -0.000 0.000 0.314 220 F C 0.203 175.694 175.800 -0.516 0.000 1.075 220 F CA -1.065 56.657 58.000 -0.463 0.000 0.945 220 F CB 1.507 40.148 39.000 -0.600 0.000 1.310 220 F HN 0.478 nan 8.300 nan 0.000 0.467 221 D N -1.429 118.895 120.400 -0.127 0.000 2.478 221 D HA 0.257 4.897 4.640 -0.000 0.000 0.263 221 D C 0.785 176.934 176.300 -0.251 0.000 1.153 221 D CA -0.501 53.423 54.000 -0.126 0.000 1.038 221 D CB 0.161 40.948 40.800 -0.021 0.000 1.120 221 D HN 0.458 nan 8.370 nan 0.000 0.564 222 T N -0.651 113.801 114.554 -0.170 0.000 2.869 222 T HA -0.134 4.216 4.350 -0.000 0.000 0.270 222 T C 1.095 175.722 174.700 -0.122 0.000 1.082 222 T CA 1.157 63.147 62.100 -0.183 0.000 1.123 222 T CB -0.154 68.662 68.868 -0.086 0.000 0.856 222 T HN 0.366 nan 8.240 nan 0.000 0.499 223 Q N -1.117 118.656 119.800 -0.046 0.000 2.320 223 Q HA 0.103 4.443 4.340 -0.000 0.000 0.201 223 Q C -0.033 176.078 176.000 0.184 0.000 0.910 223 Q CA -0.144 55.698 55.803 0.064 0.000 0.946 223 Q CB -0.226 28.541 28.738 0.049 0.000 1.062 223 Q HN 0.697 nan 8.270 nan 0.000 0.503 224 W N 1.293 122.590 121.300 -0.005 0.000 4.435 224 W HA -0.222 4.438 4.660 -0.000 0.000 0.351 224 W C -0.418 176.213 176.519 0.186 0.000 1.319 224 W CA 0.068 57.417 57.345 0.007 0.000 0.791 224 W CB -1.964 27.401 29.460 -0.158 0.000 2.419 224 W HN 0.068 nan 8.180 nan 0.000 1.406 225 N N 0.883 119.738 118.700 0.258 0.000 2.479 225 N HA 0.326 5.066 4.740 -0.000 0.000 0.285 225 N C -2.167 173.403 175.510 0.100 0.000 1.075 225 N CA -1.438 51.714 53.050 0.170 0.000 0.967 225 N CB 0.854 39.377 38.487 0.061 0.000 1.137 225 N HN -0.277 nan 8.380 nan 0.000 0.472 226 P HA 0.115 nan 4.420 nan 0.000 0.269 226 P C -0.229 176.911 177.300 -0.266 0.000 1.209 226 P CA 0.169 62.986 63.100 -0.472 0.000 0.776 226 P CB 0.664 32.090 31.700 -0.456 0.000 0.876 227 L N 4.790 125.860 121.223 -0.255 0.000 2.679 227 L HA 0.255 4.595 4.340 -0.000 0.000 0.238 227 L C -1.249 175.691 176.870 0.116 0.000 1.330 227 L CA -1.465 53.379 54.840 0.007 0.000 0.935 227 L CB 1.222 43.374 42.059 0.156 0.000 1.243 227 L HN 0.319 nan 8.230 nan 0.000 0.484 228 P HA -0.210 nan 4.420 nan 0.000 0.216 228 P C 0.417 178.068 177.300 0.585 0.000 1.150 228 P CA 1.390 64.597 63.100 0.177 0.000 0.843 228 P CB 0.374 31.934 31.700 -0.234 0.000 0.787 229 D N -1.965 118.695 120.400 0.433 0.000 2.328 229 D HA -0.028 4.612 4.640 -0.000 0.000 0.226 229 D C 0.497 177.050 176.300 0.422 0.000 1.066 229 D CA -0.196 54.095 54.000 0.486 0.000 0.861 229 D CB -0.785 40.176 40.800 0.268 0.000 0.912 229 D HN 0.228 nan 8.370 nan 0.000 0.521 230 Y N 2.372 122.838 120.300 0.275 0.000 2.802 230 Y HA -0.183 4.367 4.550 -0.000 0.000 0.333 230 Y C 1.118 177.098 175.900 0.133 0.000 1.244 230 Y CA 0.385 58.553 58.100 0.114 0.000 1.558 230 Y CB -0.008 38.423 38.460 -0.049 0.000 1.233 230 Y HN -0.004 nan 8.280 nan 0.000 0.547 231 N N 3.017 121.615 118.700 -0.170 0.000 2.741 231 N HA -0.316 4.424 4.740 -0.000 0.000 0.251 231 N C 1.253 176.759 175.510 -0.005 0.000 1.112 231 N CA 1.365 54.369 53.050 -0.077 0.000 0.750 231 N CB -0.693 37.817 38.487 0.039 0.000 1.119 231 N HN 0.793 nan 8.380 nan 0.000 0.561 232 K N 0.593 120.971 120.400 -0.037 0.000 2.211 232 K HA -0.080 4.240 4.320 -0.000 0.000 0.203 232 K C 0.945 177.320 176.600 -0.375 0.000 1.050 232 K CA 1.212 57.244 56.287 -0.426 0.000 0.945 232 K CB 0.130 32.434 32.500 -0.327 0.000 0.732 232 K HN 0.164 nan 8.250 nan 0.000 0.451 233 D N 0.596 120.860 120.400 -0.227 0.000 2.264 233 D HA -0.096 4.544 4.640 -0.000 0.000 0.208 233 D C -0.130 176.025 176.300 -0.242 0.000 0.966 233 D CA 1.017 54.897 54.000 -0.199 0.000 0.864 233 D CB -0.005 40.711 40.800 -0.140 0.000 0.933 233 D HN 0.255 nan 8.370 nan 0.000 0.499 234 N N 0.193 118.711 118.700 -0.303 0.000 2.733 234 N HA 0.100 4.840 4.740 -0.000 0.000 0.271 234 N C -2.062 173.231 175.510 -0.362 0.000 1.720 234 N CA -0.823 51.923 53.050 -0.506 0.000 0.803 234 N CB 1.867 39.752 38.487 -1.004 0.000 1.208 234 N HN -0.046 nan 8.380 nan 0.000 0.498 235 P HA -0.169 nan 4.420 nan 0.000 0.221 235 P C 0.888 178.226 177.300 0.064 0.000 1.145 235 P CA 0.901 63.984 63.100 -0.028 0.000 0.795 235 P CB 0.446 32.064 31.700 -0.135 0.000 0.775 236 A N -0.836 121.990 122.820 0.010 0.000 2.016 236 A HA -0.068 4.252 4.320 -0.000 0.000 0.217 236 A C 1.053 178.784 177.584 0.245 0.000 1.162 236 A CA 0.104 52.210 52.037 0.116 0.000 0.662 236 A CB -1.545 17.517 19.000 0.103 0.000 0.812 236 A HN 0.313 nan 8.150 nan 0.000 0.450 237 H N -0.380 118.757 119.070 0.112 0.000 3.004 237 H HA 0.113 4.669 4.556 -0.000 0.000 0.316 237 H C 0.944 176.388 175.328 0.194 0.000 1.014 237 H CA -0.402 55.730 56.048 0.140 0.000 1.454 237 H CB 0.729 30.572 29.762 0.136 0.000 1.472 237 H HN 0.281 nan 8.280 nan 0.000 0.571 238 R N 2.365 123.058 120.500 0.321 0.000 2.153 238 R HA -0.059 4.281 4.340 -0.000 0.000 0.218 238 R C 0.254 176.773 176.300 0.364 0.000 1.072 238 R CA 0.306 56.602 56.100 0.327 0.000 0.990 238 R CB 0.145 30.595 30.300 0.250 0.000 0.889 238 R HN 0.390 nan 8.270 nan 0.000 0.452 239 F N 2.299 122.383 119.950 0.223 0.000 2.472 239 F HA 0.078 4.605 4.527 -0.000 0.000 0.364 239 F C 0.406 176.353 175.800 0.245 0.000 1.090 239 F CA -0.201 57.921 58.000 0.205 0.000 1.188 239 F CB 0.177 39.268 39.000 0.151 0.000 1.105 239 F HN -0.010 nan 8.300 nan 0.000 0.536 240 R N 3.365 123.601 120.500 -0.439 0.000 3.333 240 R HA -0.200 4.140 4.340 -0.000 0.000 0.256 240 R C 0.163 176.569 176.300 0.178 0.000 1.010 240 R CA 0.275 56.282 56.100 -0.156 0.000 0.680 240 R CB -1.888 28.131 30.300 -0.468 0.000 1.102 240 R HN 0.775 nan 8.270 nan 0.000 0.440 241 A N 0.828 123.795 122.820 0.245 0.000 2.583 241 A HA 0.094 4.414 4.320 -0.000 0.000 0.231 241 A C 0.374 178.168 177.584 0.349 0.000 1.065 241 A CA 0.252 52.459 52.037 0.284 0.000 0.760 241 A CB 0.098 19.249 19.000 0.253 0.000 1.001 241 A HN 0.390 nan 8.150 nan 0.000 0.509 242 F N 2.065 122.105 119.950 0.150 0.000 2.506 242 F HA 0.468 4.995 4.527 -0.000 0.000 0.351 242 F C 1.083 176.882 175.800 -0.002 0.000 1.136 242 F CA 1.074 59.143 58.000 0.116 0.000 1.298 242 F CB 0.116 39.123 39.000 0.012 0.000 1.145 242 F HN 1.541 nan 8.300 nan 0.000 0.593 243 G N 3.157 111.162 108.800 -1.324 0.000 2.598 243 G HA2 0.078 4.038 3.960 -0.000 0.000 0.244 243 G HA3 0.078 4.038 3.960 -0.000 0.000 0.244 243 G C -0.147 174.366 174.900 -0.645 0.000 1.302 243 G CA -0.495 43.647 45.100 -1.597 0.000 0.903 243 G HN 1.503 nan 8.290 nan 0.000 0.575 244 G N -0.946 107.546 108.800 -0.514 0.000 2.417 244 G HA2 0.768 4.728 3.960 -0.000 0.000 0.334 244 G HA3 0.768 4.728 3.960 -0.000 0.000 0.334 244 G C 0.176 175.050 174.900 -0.043 0.000 1.150 244 G CA 0.958 46.151 45.100 0.154 0.000 0.923 244 G HN 1.849 nan 8.290 nan 0.000 0.485 245 T N 0.337 114.829 114.554 -0.102 0.000 2.821 245 T HA 0.467 4.817 4.350 -0.000 0.000 0.307 245 T C -1.701 172.387 174.700 -1.020 0.000 1.034 245 T CA -1.761 59.993 62.100 -0.577 0.000 0.953 245 T CB 2.113 70.614 68.868 -0.611 0.000 0.968 245 T HN 0.120 nan 8.240 nan 0.000 0.462 246 P HA -0.131 nan 4.420 nan 0.000 0.218 246 P C 1.835 178.636 177.300 -0.832 0.000 1.150 246 P CA 1.535 63.598 63.100 -1.729 0.000 0.841 246 P CB -0.170 30.834 31.700 -1.160 0.000 0.784 247 G N -0.831 107.534 108.800 -0.724 0.000 2.476 247 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.218 247 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.218 247 G C 1.395 176.365 174.900 0.116 0.000 1.164 247 G CA 0.934 45.735 45.100 -0.498 0.000 0.768 247 G HN 0.330 nan 8.290 nan 0.000 0.560 248 H N -0.509 118.729 119.070 0.281 0.000 2.389 248 H HA -0.039 4.517 4.556 -0.000 0.000 0.299 248 H C 2.413 178.107 175.328 0.610 0.000 1.081 248 H CA 1.067 57.385 56.048 0.449 0.000 1.345 248 H CB -0.303 29.743 29.762 0.472 0.000 1.393 248 H HN 0.486 nan 8.280 nan 0.000 0.520 249 W N 0.977 122.510 121.300 0.389 0.000 2.333 249 W HA -0.111 4.549 4.660 -0.000 0.000 0.316 249 W C 2.609 179.306 176.519 0.297 0.000 1.215 249 W CA 0.150 57.684 57.345 0.315 0.000 1.278 249 W CB -1.489 28.072 29.460 0.168 0.000 1.154 249 W HN 0.117 nan 8.180 nan 0.000 0.486 250 I N 0.325 121.140 120.570 0.407 0.000 2.361 250 I HA -0.269 3.901 4.170 -0.000 0.000 0.251 250 I C 2.253 178.542 176.117 0.288 0.000 1.133 250 I CA 1.512 62.979 61.300 0.278 0.000 1.413 250 I CB -0.183 37.864 38.000 0.078 0.000 1.073 250 I HN 0.015 nan 8.210 nan 0.000 0.424 251 E N -0.344 120.045 120.200 0.314 0.000 2.028 251 E HA -0.266 4.084 4.350 -0.000 0.000 0.191 251 E C 1.929 178.639 176.600 0.183 0.000 0.988 251 E CA 1.703 58.238 56.400 0.224 0.000 0.799 251 E CB -0.280 29.545 29.700 0.207 0.000 0.755 251 E HN 0.531 nan 8.360 nan 0.000 0.447 252 W N 0.808 122.213 121.300 0.176 0.000 2.331 252 W HA -0.164 4.496 4.660 -0.000 0.000 0.291 252 W C 2.391 178.980 176.519 0.117 0.000 1.214 252 W CA 1.205 58.631 57.345 0.135 0.000 1.228 252 W CB -0.490 29.073 29.460 0.172 0.000 1.135 252 W HN 0.179 nan 8.180 nan 0.000 0.537 253 G N -0.210 108.807 108.800 0.361 0.000 2.404 253 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.215 253 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.215 253 G C 1.447 176.402 174.900 0.091 0.000 1.174 253 G CA 1.098 46.327 45.100 0.216 0.000 0.780 253 G HN 0.237 nan 8.290 nan 0.000 0.537 254 R N -0.024 120.520 120.500 0.074 0.000 2.075 254 R HA 0.104 4.444 4.340 -0.000 0.000 0.232 254 R C 2.546 178.796 176.300 -0.083 0.000 1.126 254 R CA 0.886 56.951 56.100 -0.058 0.000 0.963 254 R CB -0.375 29.915 30.300 -0.016 0.000 0.858 254 R HN 0.374 nan 8.270 nan 0.000 0.435 255 L N 0.183 121.445 121.223 0.064 0.000 2.079 255 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 255 L C 2.559 179.492 176.870 0.106 0.000 1.081 255 L CA 1.360 56.275 54.840 0.125 0.000 0.752 255 L CB -0.288 41.776 42.059 0.007 0.000 0.896 255 L HN 0.336 nan 8.230 nan 0.000 0.433 256 M N -0.867 118.788 119.600 0.092 0.000 2.319 256 M HA -0.152 4.328 4.480 -0.000 0.000 0.265 256 M C 2.178 178.460 176.300 -0.030 0.000 1.068 256 M CA 1.423 56.751 55.300 0.047 0.000 1.118 256 M CB -0.151 32.493 32.600 0.073 0.000 1.395 256 M HN 0.264 nan 8.290 nan 0.000 0.435 257 L N -1.205 119.961 121.223 -0.095 0.000 2.109 257 L HA -0.186 4.154 4.340 -0.000 0.000 0.207 257 L C 2.534 179.360 176.870 -0.075 0.000 1.086 257 L CA 0.792 55.533 54.840 -0.166 0.000 0.760 257 L CB -0.988 40.888 42.059 -0.305 0.000 0.910 257 L HN 0.348 nan 8.230 nan 0.000 0.437 258 H N 0.127 119.201 119.070 0.006 0.000 2.387 258 H HA -0.101 4.455 4.556 -0.000 0.000 0.299 258 H C 2.382 177.723 175.328 0.022 0.000 1.090 258 H CA 1.513 57.576 56.048 0.025 0.000 1.332 258 H CB -0.021 29.755 29.762 0.023 0.000 1.386 258 H HN 0.340 nan 8.280 nan 0.000 0.516 259 I N -0.152 120.486 120.570 0.112 0.000 2.252 259 I HA -0.276 3.894 4.170 -0.000 0.000 0.245 259 I C 2.615 178.714 176.117 -0.030 0.000 1.102 259 I CA 1.339 62.644 61.300 0.008 0.000 1.385 259 I CB -0.384 37.596 38.000 -0.034 0.000 1.064 259 I HN 0.239 nan 8.210 nan 0.000 0.414 260 H N 1.258 120.251 119.070 -0.127 0.000 2.319 260 H HA -0.199 4.357 4.556 -0.000 0.000 0.297 260 H C 2.199 177.467 175.328 -0.100 0.000 1.097 260 H CA 2.102 58.057 56.048 -0.155 0.000 1.285 260 H CB 0.041 29.697 29.762 -0.178 0.000 1.368 260 H HN 0.307 nan 8.280 nan 0.000 0.495 261 A N 0.623 123.506 122.820 0.104 0.000 1.969 261 A HA -0.015 4.305 4.320 -0.000 0.000 0.218 261 A C 2.566 180.163 177.584 0.021 0.000 1.169 261 A CA 1.413 53.492 52.037 0.070 0.000 0.635 261 A CB -1.167 17.901 19.000 0.115 0.000 0.810 261 A HN 0.645 nan 8.150 nan 0.000 0.445 262 A N -0.177 122.666 122.820 0.038 0.000 1.930 262 A HA 0.011 4.331 4.320 -0.000 0.000 0.217 262 A C 2.142 179.720 177.584 -0.011 0.000 1.175 262 A CA 1.371 53.447 52.037 0.066 0.000 0.627 262 A CB -0.545 18.502 19.000 0.079 0.000 0.815 262 A HN 0.464 nan 8.150 nan 0.000 0.443 263 L N -0.675 120.484 121.223 -0.106 0.000 2.017 263 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 263 L C 2.618 179.414 176.870 -0.123 0.000 1.073 263 L CA 1.698 56.457 54.840 -0.135 0.000 0.745 263 L CB -0.630 41.307 42.059 -0.202 0.000 0.894 263 L HN 0.454 nan 8.230 nan 0.000 0.432 264 E N 0.159 120.260 120.200 -0.164 0.000 2.110 264 E HA -0.216 4.134 4.350 -0.000 0.000 0.193 264 E C 2.277 178.838 176.600 -0.065 0.000 0.988 264 E CA 1.069 57.389 56.400 -0.133 0.000 0.804 264 E CB -0.175 29.429 29.700 -0.159 0.000 0.745 264 E HN 0.498 nan 8.360 nan 0.000 0.458 265 A N 2.013 124.812 122.820 -0.035 0.000 2.024 265 A HA -0.192 4.128 4.320 -0.000 0.000 0.220 265 A C 1.935 179.508 177.584 -0.019 0.000 1.164 265 A CA 1.335 53.368 52.037 -0.006 0.000 0.643 265 A CB -0.491 18.528 19.000 0.030 0.000 0.806 265 A HN 0.224 nan 8.150 nan 0.000 0.451 266 R N -1.904 118.580 120.500 -0.027 0.000 2.696 266 R HA 0.368 4.708 4.340 -0.000 0.000 0.355 266 R C -0.165 176.112 176.300 -0.038 0.000 1.138 266 R CA 0.262 56.341 56.100 -0.035 0.000 1.059 266 R CB -1.327 28.957 30.300 -0.027 0.000 1.380 266 R HN 0.249 nan 8.270 nan 0.000 0.578 267 C N 0.896 120.170 119.300 -0.042 0.000 4.268 267 C HA -0.147 4.313 4.460 -0.000 0.000 0.299 267 C C 0.238 175.195 174.990 -0.054 0.000 1.429 267 C CA 1.261 60.253 59.018 -0.044 0.000 2.018 267 C CB -2.300 25.420 27.740 -0.032 0.000 1.277 267 C HN 0.812 nan 8.230 nan 0.000 0.767 268 E N 0.056 120.213 120.200 -0.072 0.000 2.145 268 E HA 0.296 4.646 4.350 -0.000 0.000 0.262 268 E C 0.113 176.643 176.600 -0.118 0.000 0.883 268 E CA -0.328 56.023 56.400 -0.081 0.000 0.748 268 E CB 0.775 30.428 29.700 -0.077 0.000 1.140 268 E HN 0.558 nan 8.360 nan 0.000 0.417 269 Q N 5.634 125.371 119.800 -0.106 0.000 2.263 269 Q HA 0.065 4.405 4.340 -0.000 0.000 0.289 269 Q C -1.975 173.924 176.000 -0.169 0.000 1.061 269 Q CA -1.062 54.662 55.803 -0.131 0.000 0.927 269 Q CB 0.641 29.328 28.738 -0.085 0.000 1.154 269 Q HN 0.345 nan 8.270 nan 0.000 0.378 270 P HA 0.283 nan 4.420 nan 0.000 0.282 270 P C -2.631 174.540 177.300 -0.216 0.000 1.249 270 P CA -1.636 61.286 63.100 -0.297 0.000 0.806 270 P CB 0.479 31.858 31.700 -0.536 0.000 0.984 271 P HA 0.043 nan 4.420 nan 0.000 0.268 271 P C 0.842 178.000 177.300 -0.236 0.000 1.204 271 P CA 0.163 63.141 63.100 -0.203 0.000 0.768 271 P CB 0.227 31.757 31.700 -0.284 0.000 0.842 272 A N 4.531 127.321 122.820 -0.050 0.000 2.070 272 A HA -0.146 4.174 4.320 -0.000 0.000 0.220 272 A C 1.728 179.329 177.584 0.029 0.000 1.159 272 A CA 1.052 53.093 52.037 0.006 0.000 0.656 272 A CB -1.344 17.694 19.000 0.064 0.000 0.800 272 A HN 0.852 nan 8.150 nan 0.000 0.453 273 W N -0.119 121.177 121.300 -0.006 0.000 2.468 273 W HA -0.059 4.601 4.660 0.000 0.000 0.262 273 W C 1.098 177.636 176.519 0.031 0.000 1.241 273 W CA 0.674 58.025 57.345 0.011 0.000 1.232 273 W CB -0.996 28.373 29.460 -0.152 0.000 1.124 273 W HN 0.266 nan 8.180 nan 0.000 0.597 274 L N 0.821 121.724 121.223 -0.533 0.000 2.017 274 L HA -0.243 4.097 4.340 -0.000 0.000 0.208 274 L C 2.790 179.572 176.870 -0.147 0.000 1.073 274 L CA 1.265 55.839 54.840 -0.444 0.000 0.745 274 L CB -1.102 40.675 42.059 -0.470 0.000 0.894 274 L HN 0.016 nan 8.230 nan 0.000 0.432 275 L N -0.211 120.924 121.223 -0.147 0.000 2.109 275 L HA -0.151 4.189 4.340 -0.000 0.000 0.207 275 L C 2.389 179.219 176.870 -0.066 0.000 1.086 275 L CA 1.653 56.384 54.840 -0.182 0.000 0.760 275 L CB -0.532 41.385 42.059 -0.238 0.000 0.910 275 L HN 0.219 nan 8.230 nan 0.000 0.437 276 E N -0.474 119.745 120.200 0.032 0.000 2.051 276 E HA -0.224 4.126 4.350 -0.000 0.000 0.192 276 E C 1.688 178.336 176.600 0.080 0.000 0.991 276 E CA 1.443 57.898 56.400 0.092 0.000 0.799 276 E CB -0.229 29.588 29.700 0.195 0.000 0.748 276 E HN 0.547 nan 8.360 nan 0.000 0.449 277 D N 0.495 121.014 120.400 0.197 0.000 2.178 277 D HA -0.072 4.568 4.640 -0.000 0.000 0.202 277 D C 1.863 178.163 176.300 0.001 0.000 0.974 277 D CA 1.096 55.229 54.000 0.221 0.000 0.841 277 D CB -0.189 40.906 40.800 0.492 0.000 0.953 277 D HN 0.155 nan 8.370 nan 0.000 0.478 278 A N 1.081 123.907 122.820 0.011 0.000 1.930 278 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 278 A C 2.066 179.623 177.584 -0.044 0.000 1.175 278 A CA 1.254 53.285 52.037 -0.009 0.000 0.627 278 A CB -0.288 18.662 19.000 -0.082 0.000 0.815 278 A HN 0.116 nan 8.150 nan 0.000 0.443 279 K N -0.748 119.598 120.400 -0.089 0.000 2.057 279 K HA -0.084 4.236 4.320 -0.000 0.000 0.207 279 K C 2.135 178.682 176.600 -0.089 0.000 1.049 279 K CA 1.104 57.370 56.287 -0.035 0.000 0.931 279 K CB -0.423 32.072 32.500 -0.010 0.000 0.714 279 K HN 0.459 nan 8.250 nan 0.000 0.440 280 G N 1.361 109.887 108.800 -0.457 0.000 2.402 280 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.216 280 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.216 280 G C 1.493 176.047 174.900 -0.577 0.000 1.162 280 G CA 0.525 45.040 45.100 -0.975 0.000 0.777 280 G HN 0.079 nan 8.290 nan 0.000 0.539 281 L N -0.888 120.125 121.223 -0.350 0.000 2.046 281 L HA 0.027 4.367 4.340 -0.000 0.000 0.208 281 L C 2.546 179.547 176.870 0.218 0.000 1.077 281 L CA 0.949 55.836 54.840 0.077 0.000 0.747 281 L CB -0.436 41.745 42.059 0.204 0.000 0.896 281 L HN 0.231 nan 8.230 nan 0.000 0.432 282 F N 0.986 120.968 119.950 0.053 0.000 2.134 282 F HA -0.251 4.276 4.527 -0.000 0.000 0.299 282 F C 2.554 178.400 175.800 0.075 0.000 1.097 282 F CA 1.786 59.842 58.000 0.094 0.000 1.264 282 F CB -0.312 38.757 39.000 0.115 0.000 1.001 282 F HN 0.132 nan 8.300 nan 0.000 0.479 283 N N 0.732 119.591 118.700 0.265 0.000 2.120 283 N HA -0.189 4.551 4.740 -0.000 0.000 0.188 283 N C 1.970 177.551 175.510 0.119 0.000 1.024 283 N CA 1.346 54.496 53.050 0.168 0.000 0.852 283 N CB -0.257 38.322 38.487 0.153 0.000 1.003 283 N HN 0.396 nan 8.380 nan 0.000 0.424 284 A N 0.343 123.265 122.820 0.170 0.000 1.902 284 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 284 A C 2.372 180.182 177.584 0.376 0.000 1.181 284 A CA 2.084 54.285 52.037 0.274 0.000 0.623 284 A CB -1.153 17.995 19.000 0.247 0.000 0.818 284 A HN 0.430 nan 8.150 nan 0.000 0.443 285 T N -0.430 114.309 114.554 0.310 0.000 2.708 285 T HA -0.125 4.225 4.350 -0.000 0.000 0.266 285 T C 1.883 176.530 174.700 -0.087 0.000 1.037 285 T CA 1.641 63.783 62.100 0.070 0.000 1.146 285 T CB -0.436 68.362 68.868 -0.116 0.000 0.865 285 T HN 0.144 nan 8.240 nan 0.000 0.435 286 V N 1.442 121.232 119.914 -0.207 0.000 2.358 286 V HA -0.151 3.969 4.120 -0.000 0.000 0.246 286 V C 2.655 178.762 176.094 0.022 0.000 1.047 286 V CA 1.714 63.873 62.300 -0.234 0.000 1.035 286 V CB -0.598 30.886 31.823 -0.566 0.000 0.658 286 V HN 0.375 nan 8.190 nan 0.000 0.452 287 R N 0.124 120.661 120.500 0.063 0.000 2.080 287 R HA -0.197 4.143 4.340 -0.000 0.000 0.236 287 R C 1.884 178.252 176.300 0.113 0.000 1.137 287 R CA 2.353 58.522 56.100 0.115 0.000 0.943 287 R CB -0.259 30.118 30.300 0.128 0.000 0.846 287 R HN 0.558 nan 8.270 nan 0.000 0.431 288 D N -0.884 119.594 120.400 0.130 0.000 2.262 288 D HA 0.035 4.675 4.640 -0.000 0.000 0.212 288 D C 1.333 177.639 176.300 0.009 0.000 0.964 288 D CA 1.127 55.186 54.000 0.099 0.000 0.875 288 D CB 0.130 41.047 40.800 0.195 0.000 0.996 288 D HN 0.364 nan 8.370 nan 0.000 0.497 289 A N -0.096 122.700 122.820 -0.039 0.000 2.220 289 A HA 0.038 4.358 4.320 -0.000 0.000 0.211 289 A C 0.569 178.127 177.584 -0.043 0.000 1.176 289 A CA -0.418 51.548 52.037 -0.119 0.000 0.834 289 A CB -0.216 18.616 19.000 -0.280 0.000 0.868 289 A HN 0.289 nan 8.150 nan 0.000 0.488 290 W N 0.780 122.002 121.300 -0.131 0.000 2.335 290 W HA 0.395 5.055 4.660 0.000 0.000 0.306 290 W C 0.386 176.908 176.519 0.004 0.000 1.216 290 W CA -0.366 56.943 57.345 -0.060 0.000 1.237 290 W CB 0.377 29.838 29.460 0.002 0.000 1.243 290 W HN 0.620 nan 8.180 nan 0.000 0.493 291 A N 6.608 128.832 122.820 -0.994 0.000 2.462 291 A HA -0.244 4.076 4.320 -0.000 0.000 0.294 291 A C -1.525 175.843 177.584 -0.360 0.000 1.461 291 A CA 1.035 52.585 52.037 -0.812 0.000 0.765 291 A CB -1.552 16.808 19.000 -1.066 0.000 1.071 291 A HN 0.626 nan 8.150 nan 0.000 0.401 292 P HA 0.064 nan 4.420 nan 0.000 0.239 292 P C 0.183 177.421 177.300 -0.103 0.000 1.188 292 P CA 1.242 64.271 63.100 -0.119 0.000 0.794 292 P CB 0.116 31.765 31.700 -0.085 0.000 0.937 293 D N -1.287 119.035 120.400 -0.131 0.000 2.670 293 D HA 0.313 4.953 4.640 -0.000 0.000 0.255 293 D C 1.197 177.439 176.300 -0.096 0.000 1.286 293 D CA -0.429 53.511 54.000 -0.099 0.000 0.830 293 D CB -0.471 40.272 40.800 -0.095 0.000 1.065 293 D HN 0.167 nan 8.370 nan 0.000 0.486 294 G N -1.156 107.582 108.800 -0.103 0.000 2.175 294 G HA2 0.054 4.014 3.960 -0.000 0.000 0.244 294 G HA3 0.054 4.014 3.960 -0.000 0.000 0.244 294 G C 0.293 175.133 174.900 -0.099 0.000 0.982 294 G CA -0.058 44.992 45.100 -0.084 0.000 0.641 294 G HN 1.023 nan 8.290 nan 0.000 0.527 295 A N -0.691 122.038 122.820 -0.152 0.000 2.594 295 A HA 0.710 5.030 4.320 -0.000 0.000 0.291 295 A C -0.720 176.690 177.584 -0.290 0.000 1.105 295 A CA -0.271 51.667 52.037 -0.164 0.000 0.694 295 A CB 1.197 20.110 19.000 -0.146 0.000 1.291 295 A HN 0.081 nan 8.150 nan 0.000 0.410 296 D N -0.195 120.047 120.400 -0.263 0.000 2.377 296 D HA 0.582 5.222 4.640 -0.000 0.000 0.245 296 D C 0.647 176.610 176.300 -0.562 0.000 1.196 296 D CA 1.597 55.279 54.000 -0.530 0.000 0.962 296 D CB 1.269 42.029 40.800 -0.066 0.000 1.127 296 D HN 1.495 nan 8.370 nan 0.000 0.471 297 G N -0.682 107.476 108.800 -1.070 0.000 2.440 297 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.684 297 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.684 297 G C -1.125 173.540 174.900 -0.391 0.000 1.309 297 G CA -0.936 43.727 45.100 -0.727 0.000 0.931 297 G HN 0.395 nan 8.290 nan 0.000 0.612 298 I N 1.489 121.907 120.570 -0.254 0.000 2.330 298 I HA 0.397 4.567 4.170 -0.000 0.000 0.289 298 I C 1.320 177.284 176.117 -0.255 0.000 1.001 298 I CA -1.089 60.082 61.300 -0.214 0.000 1.193 298 I CB 1.341 39.152 38.000 -0.314 0.000 1.345 298 I HN 0.713 nan 8.210 nan 0.000 0.461 299 V N 4.119 123.895 119.914 -0.229 0.000 3.287 299 V HA -0.056 4.064 4.120 -0.000 0.000 0.306 299 V C 0.828 176.801 176.094 -0.202 0.000 1.103 299 V CA 0.235 62.424 62.300 -0.184 0.000 1.159 299 V CB 0.432 32.159 31.823 -0.159 0.000 1.036 299 V HN 0.706 nan 8.190 nan 0.000 0.487 300 Y N 2.319 122.452 120.300 -0.280 0.000 2.176 300 Y HA 0.153 4.703 4.550 -0.000 0.000 0.291 300 Y C 1.579 177.302 175.900 -0.294 0.000 1.122 300 Y CA 1.533 59.447 58.100 -0.310 0.000 1.128 300 Y CB -0.090 38.247 38.460 -0.205 0.000 1.005 300 Y HN 1.047 nan 8.280 nan 0.000 0.509 301 T N -1.983 112.444 114.554 -0.210 0.000 2.901 301 T HA 0.697 5.047 4.350 -0.000 0.000 0.293 301 T C -1.275 173.304 174.700 -0.201 0.000 1.084 301 T CA -0.785 61.149 62.100 -0.278 0.000 1.008 301 T CB 1.832 70.603 68.868 -0.163 0.000 1.170 301 T HN -0.140 nan 8.240 nan 0.000 0.509 302 V N 1.747 121.528 119.914 -0.222 0.000 3.049 302 V HA 0.497 4.617 4.120 -0.000 0.000 0.309 302 V C -0.788 175.144 176.094 -0.270 0.000 1.148 302 V CA -0.867 61.344 62.300 -0.149 0.000 0.990 302 V CB 2.333 34.117 31.823 -0.066 0.000 1.039 302 V HN 1.238 nan 8.190 nan 0.000 0.430 303 D N 0.899 121.179 120.400 -0.201 0.000 2.469 303 D HA 0.110 4.750 4.640 -0.000 0.000 0.278 303 D C 0.554 176.631 176.300 -0.372 0.000 1.231 303 D CA -0.250 53.511 54.000 -0.399 0.000 1.075 303 D CB 0.474 41.286 40.800 0.019 0.000 1.121 303 D HN 0.560 nan 8.370 nan 0.000 0.571 304 W N -0.836 120.509 121.300 0.074 0.000 3.204 304 W HA 0.114 4.774 4.660 -0.000 0.000 0.249 304 W C 1.065 177.628 176.519 0.073 0.000 1.322 304 W CA -0.356 57.021 57.345 0.055 0.000 1.593 304 W CB 0.326 29.815 29.460 0.048 0.000 1.122 304 W HN 0.257 nan 8.180 nan 0.000 0.710 305 E N -0.753 119.576 120.200 0.216 0.000 2.489 305 E HA 0.174 4.524 4.350 -0.000 0.000 0.204 305 E C 1.862 178.523 176.600 0.102 0.000 1.006 305 E CA 0.689 57.173 56.400 0.140 0.000 0.936 305 E CB 0.343 30.105 29.700 0.103 0.000 1.002 305 E HN 0.225 nan 8.360 nan 0.000 0.488 306 G N 2.138 111.009 108.800 0.119 0.000 2.176 306 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.232 306 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.232 306 G C 0.321 175.260 174.900 0.065 0.000 0.986 306 G CA 0.301 45.474 45.100 0.121 0.000 0.643 306 G HN 0.227 nan 8.290 nan 0.000 0.522 307 K N 1.431 121.855 120.400 0.040 0.000 2.276 307 K HA 0.483 4.803 4.320 -0.000 0.000 0.283 307 K C -2.347 174.249 176.600 -0.007 0.000 1.044 307 K CA -1.978 54.319 56.287 0.015 0.000 0.944 307 K CB 0.929 33.442 32.500 0.021 0.000 1.012 307 K HN -0.007 nan 8.250 nan 0.000 0.472 308 P HA -0.112 nan 4.420 nan 0.000 0.262 308 P C -0.181 177.106 177.300 -0.022 0.000 1.182 308 P CA -0.120 62.953 63.100 -0.046 0.000 0.761 308 P CB 0.917 32.582 31.700 -0.058 0.000 0.795 309 V N 3.554 123.459 119.914 -0.015 0.000 2.784 309 V HA 0.030 4.150 4.120 -0.000 0.000 0.231 309 V C 0.724 176.835 176.094 0.027 0.000 1.128 309 V CA 0.600 62.915 62.300 0.025 0.000 1.178 309 V CB 0.002 31.874 31.823 0.082 0.000 0.943 309 V HN 0.174 nan 8.190 nan 0.000 0.500 310 V N 2.662 122.602 119.914 0.045 0.000 2.339 310 V HA 0.266 4.386 4.120 -0.000 0.000 0.261 310 V C 1.181 177.293 176.094 0.030 0.000 1.058 310 V CA -0.031 62.312 62.300 0.071 0.000 0.897 310 V CB 0.579 32.512 31.823 0.183 0.000 1.052 310 V HN 0.389 nan 8.190 nan 0.000 0.480 311 R N 1.834 122.328 120.500 -0.010 0.000 2.313 311 R HA 0.083 4.423 4.340 -0.000 0.000 0.199 311 R C 0.244 176.507 176.300 -0.062 0.000 0.958 311 R CA -0.150 55.921 56.100 -0.047 0.000 1.047 311 R CB 0.279 30.545 30.300 -0.057 0.000 0.955 311 R HN 0.578 nan 8.270 nan 0.000 0.481 312 E N 1.878 122.047 120.200 -0.051 0.000 2.413 312 E HA -0.020 4.330 4.350 -0.000 0.000 0.263 312 E C -0.174 176.365 176.600 -0.101 0.000 1.015 312 E CA 0.289 56.639 56.400 -0.083 0.000 0.916 312 E CB 0.543 30.177 29.700 -0.109 0.000 0.947 312 E HN -0.078 nan 8.360 nan 0.000 0.440 313 R N 2.847 123.288 120.500 -0.097 0.000 2.287 313 R HA 0.244 4.584 4.340 -0.000 0.000 0.327 313 R C -0.671 175.569 176.300 -0.101 0.000 1.109 313 R CA -0.538 55.503 56.100 -0.098 0.000 1.013 313 R CB -0.655 29.627 30.300 -0.029 0.000 1.126 313 R HN 0.183 nan 8.270 nan 0.000 0.503 314 V N 3.125 122.922 119.914 -0.195 0.000 2.924 314 V HA 0.113 4.233 4.120 -0.000 0.000 0.305 314 V C 2.163 178.142 176.094 -0.193 0.000 1.073 314 V CA -0.293 61.871 62.300 -0.226 0.000 1.098 314 V CB 1.264 32.838 31.823 -0.415 0.000 1.000 314 V HN 0.689 nan 8.190 nan 0.000 0.484 315 R N 2.593 123.061 120.500 -0.053 0.000 2.062 315 R HA -0.126 4.214 4.340 -0.000 0.000 0.231 315 R C 2.257 178.517 176.300 -0.067 0.000 1.136 315 R CA 2.312 58.439 56.100 0.045 0.000 0.948 315 R CB -0.232 30.176 30.300 0.180 0.000 0.845 315 R HN 0.946 nan 8.270 nan 0.000 0.430 316 W N 0.467 121.659 121.300 -0.181 0.000 2.350 316 W HA -0.013 4.647 4.660 -0.000 0.000 0.289 316 W C -1.368 174.966 176.519 -0.309 0.000 1.215 316 W CA 0.428 57.538 57.345 -0.392 0.000 1.236 316 W CB -1.958 26.935 29.460 -0.945 0.000 1.130 316 W HN 0.129 nan 8.180 nan 0.000 0.541 317 P HA -0.219 nan 4.420 nan 0.000 0.215 317 P C 2.123 179.138 177.300 -0.475 0.000 1.157 317 P CA 2.320 64.945 63.100 -0.791 0.000 0.874 317 P CB -0.416 30.695 31.700 -0.982 0.000 0.790 318 I N -1.253 119.052 120.570 -0.442 0.000 2.676 318 I HA -0.137 4.033 4.170 -0.000 0.000 0.259 318 I C 1.666 177.575 176.117 -0.346 0.000 1.194 318 I CA 0.909 61.899 61.300 -0.517 0.000 1.473 318 I CB 0.016 37.777 38.000 -0.399 0.000 1.096 318 I HN -0.218 nan 8.210 nan 0.000 0.443 319 V N 1.122 120.931 119.914 -0.174 0.000 2.307 319 V HA -0.203 3.917 4.120 -0.000 0.000 0.245 319 V C 2.458 178.541 176.094 -0.018 0.000 1.045 319 V CA 1.675 63.910 62.300 -0.108 0.000 1.024 319 V CB -0.633 31.117 31.823 -0.120 0.000 0.651 319 V HN 0.408 nan 8.190 nan 0.000 0.449 320 E N 0.355 120.577 120.200 0.037 0.000 2.106 320 E HA -0.126 4.224 4.350 -0.000 0.000 0.192 320 E C 2.366 179.010 176.600 0.073 0.000 0.984 320 E CA 1.364 57.857 56.400 0.154 0.000 0.806 320 E CB -0.560 29.300 29.700 0.266 0.000 0.750 320 E HN 0.549 nan 8.360 nan 0.000 0.458 321 A N 1.052 123.778 122.820 -0.157 0.000 1.940 321 A HA -0.194 4.126 4.320 -0.000 0.000 0.219 321 A C 2.269 179.938 177.584 0.142 0.000 1.176 321 A CA 1.737 53.595 52.037 -0.299 0.000 0.631 321 A CB -0.517 17.760 19.000 -1.205 0.000 0.814 321 A HN 0.187 nan 8.150 nan 0.000 0.446 322 M N -0.891 118.814 119.600 0.175 0.000 2.200 322 M HA -0.045 4.435 4.480 -0.000 0.000 0.265 322 M C 2.331 179.011 176.300 0.632 0.000 1.066 322 M CA 1.242 56.883 55.300 0.568 0.000 1.127 322 M CB -0.526 32.218 32.600 0.241 0.000 1.379 322 M HN 0.498 nan 8.290 nan 0.000 0.420 323 G N -0.056 108.990 108.800 0.410 0.000 2.421 323 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.216 323 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.216 323 G C 1.473 176.583 174.900 0.349 0.000 1.171 323 G CA 1.536 46.865 45.100 0.380 0.000 0.775 323 G HN 0.369 nan 8.290 nan 0.000 0.543 324 T N 1.689 116.430 114.554 0.312 0.000 2.777 324 T HA 0.054 4.404 4.350 -0.000 0.000 0.266 324 T C 2.820 177.644 174.700 0.207 0.000 1.040 324 T CA 1.419 63.664 62.100 0.241 0.000 1.141 324 T CB -0.387 68.682 68.868 0.335 0.000 0.868 324 T HN 0.380 nan 8.240 nan 0.000 0.444 325 A N 1.035 124.164 122.820 0.514 0.000 1.892 325 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 325 A C 2.098 179.815 177.584 0.222 0.000 1.188 325 A CA 1.976 54.297 52.037 0.473 0.000 0.631 325 A CB -1.205 18.367 19.000 0.955 0.000 0.822 325 A HN 0.610 nan 8.150 nan 0.000 0.447 326 Y N 0.688 121.079 120.300 0.152 0.000 2.165 326 Y HA -0.131 4.419 4.550 -0.000 0.000 0.286 326 Y C 2.613 178.331 175.900 -0.304 0.000 1.155 326 Y CA 1.419 59.309 58.100 -0.350 0.000 1.164 326 Y CB -0.637 37.672 38.460 -0.251 0.000 0.978 326 Y HN 0.313 nan 8.280 nan 0.000 0.513 327 A N 0.429 123.080 122.820 -0.281 0.000 1.877 327 A HA -0.166 4.154 4.320 -0.000 0.000 0.216 327 A C 2.331 179.603 177.584 -0.519 0.000 1.186 327 A CA 1.934 53.722 52.037 -0.415 0.000 0.620 327 A CB -1.178 17.669 19.000 -0.255 0.000 0.822 327 A HN 0.568 nan 8.150 nan 0.000 0.443 328 L N -2.142 118.734 121.223 -0.578 0.000 2.093 328 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 328 L C 2.577 179.035 176.870 -0.686 0.000 1.085 328 L CA 1.616 55.952 54.840 -0.841 0.000 0.755 328 L CB -0.564 40.531 42.059 -1.607 0.000 0.904 328 L HN 0.630 nan 8.230 nan 0.000 0.435 329 Y N 0.789 120.728 120.300 -0.601 0.000 2.145 329 Y HA -0.284 4.266 4.550 -0.000 0.000 0.286 329 Y C 2.608 178.279 175.900 -0.382 0.000 1.145 329 Y CA 2.155 60.078 58.100 -0.295 0.000 1.148 329 Y CB -0.585 37.741 38.460 -0.224 0.000 0.981 329 Y HN 0.025 nan 8.280 nan 0.000 0.507 330 T N -0.205 113.980 114.554 -0.614 0.000 2.803 330 T HA -0.178 4.172 4.350 -0.000 0.000 0.269 330 T C 1.919 176.340 174.700 -0.465 0.000 1.052 330 T CA 1.743 63.477 62.100 -0.611 0.000 1.136 330 T CB -0.578 67.873 68.868 -0.695 0.000 0.864 330 T HN 0.252 nan 8.240 nan 0.000 0.467 331 V N 1.492 121.144 119.914 -0.436 0.000 2.426 331 V HA -0.063 4.057 4.120 -0.000 0.000 0.242 331 V C 2.899 178.817 176.094 -0.292 0.000 1.036 331 V CA 1.879 63.975 62.300 -0.341 0.000 1.044 331 V CB -0.792 30.787 31.823 -0.407 0.000 0.688 331 V HN 0.666 nan 8.190 nan 0.000 0.462 332 T N -2.774 111.601 114.554 -0.299 0.000 3.035 332 T HA 0.232 4.582 4.350 -0.000 0.000 0.259 332 T C 1.751 176.334 174.700 -0.195 0.000 1.078 332 T CA 1.216 63.207 62.100 -0.181 0.000 1.132 332 T CB 0.491 69.331 68.868 -0.046 0.000 0.900 332 T HN 0.934 nan 8.240 nan 0.000 0.480 333 G N 1.649 110.219 108.800 -0.382 0.000 2.212 333 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.266 333 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.266 333 G C -0.054 174.768 174.900 -0.129 0.000 0.978 333 G CA 0.292 45.121 45.100 -0.452 0.000 0.632 333 G HN 0.795 nan 8.290 nan 0.000 0.537 334 D N 0.560 120.979 120.400 0.031 0.000 2.368 334 D HA 0.248 4.888 4.640 -0.000 0.000 0.268 334 D C 1.815 178.260 176.300 0.243 0.000 1.298 334 D CA -0.422 53.646 54.000 0.112 0.000 0.938 334 D CB 0.364 41.218 40.800 0.089 0.000 1.101 334 D HN 0.120 nan 8.370 nan 0.000 0.509 335 R N 2.849 123.466 120.500 0.195 0.000 2.200 335 R HA -0.192 4.148 4.340 -0.000 0.000 0.234 335 R C 1.896 178.227 176.300 0.051 0.000 1.127 335 R CA 1.044 57.264 56.100 0.200 0.000 0.989 335 R CB -0.385 29.970 30.300 0.092 0.000 0.869 335 R HN 0.754 nan 8.270 nan 0.000 0.459 336 Q N -0.978 118.783 119.800 -0.066 0.000 2.181 336 Q HA -0.199 4.141 4.340 -0.000 0.000 0.205 336 Q C 1.360 177.301 176.000 -0.098 0.000 0.980 336 Q CA 1.639 57.336 55.803 -0.176 0.000 0.862 336 Q CB -0.542 28.047 28.738 -0.248 0.000 0.905 336 Q HN 0.422 nan 8.270 nan 0.000 0.429 337 Y N 1.319 121.709 120.300 0.150 0.000 2.224 337 Y HA -0.185 4.365 4.550 -0.000 0.000 0.289 337 Y C 2.466 178.519 175.900 0.254 0.000 1.146 337 Y CA 1.455 59.673 58.100 0.197 0.000 1.182 337 Y CB 0.019 38.536 38.460 0.096 0.000 0.983 337 Y HN 0.330 nan 8.280 nan 0.000 0.524 338 E N -0.175 120.199 120.200 0.290 0.000 2.150 338 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 338 E C 1.788 178.273 176.600 -0.190 0.000 0.985 338 E CA 1.618 57.989 56.400 -0.049 0.000 0.814 338 E CB -0.021 29.443 29.700 -0.394 0.000 0.752 338 E HN 0.344 nan 8.360 nan 0.000 0.466 339 T N -0.185 114.231 114.554 -0.229 0.000 2.788 339 T HA -0.167 4.183 4.350 -0.000 0.000 0.268 339 T C 1.054 175.453 174.700 -0.502 0.000 1.044 339 T CA 1.451 63.300 62.100 -0.418 0.000 1.139 339 T CB -0.387 68.191 68.868 -0.485 0.000 0.867 339 T HN 0.404 nan 8.240 nan 0.000 0.454 340 W N 0.103 121.174 121.300 -0.382 0.000 2.381 340 W HA -0.042 4.618 4.660 -0.000 0.000 0.301 340 W C 2.227 178.303 176.519 -0.740 0.000 1.205 340 W CA 0.378 57.224 57.345 -0.832 0.000 1.285 340 W CB -0.499 28.505 29.460 -0.760 0.000 1.133 340 W HN 0.231 nan 8.180 nan 0.000 0.521 341 Y N 1.605 121.899 120.300 -0.011 0.000 2.081 341 Y HA -0.393 4.157 4.550 -0.000 0.000 0.280 341 Y C 2.322 178.290 175.900 0.113 0.000 1.163 341 Y CA 2.526 60.768 58.100 0.236 0.000 1.135 341 Y CB -0.765 37.861 38.460 0.277 0.000 0.970 341 Y HN 0.049 nan 8.280 nan 0.000 0.498 342 Q N -1.043 118.659 119.800 -0.164 0.000 2.079 342 Q HA -0.149 4.191 4.340 -0.000 0.000 0.200 342 Q C 2.157 178.032 176.000 -0.208 0.000 0.974 342 Q CA 2.074 57.620 55.803 -0.428 0.000 0.840 342 Q CB -0.376 27.779 28.738 -0.973 0.000 0.898 342 Q HN 0.427 nan 8.270 nan 0.000 0.430 343 T N 0.256 114.623 114.554 -0.313 0.000 2.720 343 T HA -0.170 4.180 4.350 -0.000 0.000 0.268 343 T C 1.101 175.808 174.700 0.012 0.000 1.037 343 T CA 1.161 63.109 62.100 -0.253 0.000 1.144 343 T CB -0.194 68.334 68.868 -0.566 0.000 0.864 343 T HN 0.408 nan 8.240 nan 0.000 0.444 344 W N -0.249 121.042 121.300 -0.014 0.000 2.467 344 W HA 0.182 4.842 4.660 -0.000 0.000 0.275 344 W C 1.909 178.488 176.519 0.100 0.000 1.239 344 W CA -0.862 56.488 57.345 0.008 0.000 1.266 344 W CB -1.220 28.169 29.460 -0.118 0.000 1.112 344 W HN 0.396 nan 8.180 nan 0.000 0.576 345 W N 1.056 122.505 121.300 0.247 0.000 2.388 345 W HA -0.157 4.503 4.660 -0.000 0.000 0.294 345 W C 2.308 178.942 176.519 0.191 0.000 1.212 345 W CA 0.809 58.277 57.345 0.205 0.000 1.271 345 W CB -0.078 29.497 29.460 0.191 0.000 1.126 345 W HN -0.285 nan 8.180 nan 0.000 0.535 346 E N -0.468 119.992 120.200 0.432 0.000 2.077 346 E HA -0.276 4.074 4.350 -0.000 0.000 0.193 346 E C 1.631 178.410 176.600 0.299 0.000 0.989 346 E CA 1.499 58.074 56.400 0.291 0.000 0.800 346 E CB -1.137 28.688 29.700 0.208 0.000 0.746 346 E HN 0.479 nan 8.360 nan 0.000 0.452 347 Y N 1.009 121.502 120.300 0.322 0.000 2.114 347 Y HA -0.269 4.281 4.550 -0.000 0.000 0.284 347 Y C 2.608 178.706 175.900 0.330 0.000 1.143 347 Y CA 1.708 60.057 58.100 0.415 0.000 1.135 347 Y CB -0.550 38.244 38.460 0.557 0.000 0.980 347 Y HN 0.021 nan 8.280 nan 0.000 0.499 348 C N 0.413 119.969 119.300 0.427 0.000 2.398 348 C HA -0.238 4.222 4.460 -0.000 0.000 0.276 348 C C 2.785 177.722 174.990 -0.088 0.000 1.222 348 C CA 1.535 60.660 59.018 0.179 0.000 1.746 348 C CB -1.500 26.360 27.740 0.201 0.000 2.039 348 C HN 0.755 nan 8.230 nan 0.000 0.470 349 I N 0.326 120.923 120.570 0.046 0.000 2.546 349 I HA -0.148 4.022 4.170 -0.000 0.000 0.255 349 I C 2.478 178.533 176.117 -0.104 0.000 1.163 349 I CA 1.394 62.678 61.300 -0.027 0.000 1.457 349 I CB -0.395 37.655 38.000 0.082 0.000 1.092 349 I HN 0.331 nan 8.210 nan 0.000 0.434 350 K N -0.237 120.051 120.400 -0.187 0.000 2.167 350 K HA -0.129 4.191 4.320 -0.000 0.000 0.203 350 K C 1.269 177.516 176.600 -0.588 0.000 1.052 350 K CA 1.495 57.524 56.287 -0.430 0.000 0.956 350 K CB 0.058 32.181 32.500 -0.629 0.000 0.735 350 K HN 0.400 nan 8.250 nan 0.000 0.451 351 Y N -1.181 118.963 120.300 -0.261 0.000 2.512 351 Y HA 0.182 4.732 4.550 -0.000 0.000 0.268 351 Y C 1.559 177.425 175.900 -0.057 0.000 1.102 351 Y CA -0.390 57.570 58.100 -0.234 0.000 1.261 351 Y CB 0.562 38.734 38.460 -0.481 0.000 1.250 351 Y HN -0.130 nan 8.280 nan 0.000 0.506 352 L N -0.667 120.587 121.223 0.052 0.000 2.269 352 L HA 0.157 4.497 4.340 -0.000 0.000 0.200 352 L C 0.660 177.460 176.870 -0.117 0.000 1.069 352 L CA 0.196 55.113 54.840 0.128 0.000 0.804 352 L CB -0.081 42.091 42.059 0.189 0.000 0.987 352 L HN 0.083 nan 8.230 nan 0.000 0.468 353 M N 1.240 120.487 119.600 -0.588 0.000 2.260 353 M HA -0.064 4.416 4.480 -0.000 0.000 0.348 353 M C -0.514 175.474 176.300 -0.520 0.000 1.342 353 M CA 0.696 55.469 55.300 -0.879 0.000 1.040 353 M CB 0.064 32.126 32.600 -0.897 0.000 1.810 353 M HN -0.055 nan 8.290 nan 0.000 0.453 354 D N 2.507 122.521 120.400 -0.643 0.000 2.438 354 D HA 0.206 4.846 4.640 -0.000 0.000 0.257 354 D C -0.209 175.851 176.300 -0.399 0.000 1.148 354 D CA -0.213 53.452 54.000 -0.557 0.000 0.902 354 D CB 0.369 40.532 40.800 -1.062 0.000 1.062 354 D HN 0.441 nan 8.370 nan 0.000 0.518 355 Y N 1.338 121.548 120.300 -0.152 0.000 2.395 355 Y HA -0.044 4.506 4.550 -0.000 0.000 0.293 355 Y C 2.177 178.042 175.900 -0.059 0.000 1.123 355 Y CA 0.668 58.714 58.100 -0.089 0.000 1.227 355 Y CB 0.354 38.782 38.460 -0.054 0.000 1.012 355 Y HN 0.400 nan 8.280 nan 0.000 0.552 356 E N 0.819 121.077 120.200 0.096 0.000 2.017 356 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 356 E C 1.348 177.970 176.600 0.038 0.000 0.997 356 E CA 1.907 58.352 56.400 0.074 0.000 0.804 356 E CB -0.130 29.627 29.700 0.096 0.000 0.757 356 E HN 0.290 nan 8.360 nan 0.000 0.448 357 N N -0.177 118.499 118.700 -0.040 0.000 2.254 357 N HA 0.185 4.925 4.740 -0.000 0.000 0.190 357 N C -0.039 175.468 175.510 -0.004 0.000 1.107 357 N CA 0.832 53.869 53.050 -0.021 0.000 0.869 357 N CB 1.296 39.747 38.487 -0.060 0.000 0.983 357 N HN 0.290 nan 8.380 nan 0.000 0.487 358 G N 0.668 109.405 108.800 -0.106 0.000 2.675 358 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.686 358 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.686 358 G C -0.105 174.464 174.900 -0.552 0.000 1.215 358 G CA -0.181 44.846 45.100 -0.121 0.000 0.777 358 G HN 0.313 nan 8.290 nan 0.000 0.638 359 S N -1.136 114.186 115.700 -0.630 0.000 3.525 359 S HA -0.170 4.300 4.470 -0.000 0.000 0.629 359 S C 0.178 174.644 174.600 -0.222 0.000 2.621 359 S CA 2.171 59.982 58.200 -0.648 0.000 3.752 359 S CB -1.102 61.178 63.200 -1.534 0.000 0.260 359 S HN 2.035 nan 8.310 nan 0.000 1.214 360 W N -0.037 120.940 121.300 -0.538 0.000 2.882 360 W HA 0.666 5.326 4.660 -0.000 0.000 0.345 360 W C -0.587 175.759 176.519 -0.288 0.000 1.125 360 W CA -1.008 56.126 57.345 -0.353 0.000 1.167 360 W CB 0.061 29.431 29.460 -0.149 0.000 1.431 360 W HN 0.676 nan 8.180 nan 0.000 0.543 361 W N 1.530 122.921 121.300 0.152 0.000 2.150 361 W HA 0.151 4.811 4.660 0.000 0.000 0.341 361 W C 1.698 178.302 176.519 0.142 0.000 1.276 361 W CA -0.034 57.376 57.345 0.108 0.000 1.238 361 W CB 0.555 30.060 29.460 0.075 0.000 1.128 361 W HN 0.336 nan 8.180 nan 0.000 0.581 362 Q N 0.964 121.008 119.800 0.407 0.000 2.165 362 Q HA 0.011 4.351 4.340 -0.000 0.000 0.197 362 Q C -0.178 175.933 176.000 0.185 0.000 0.952 362 Q CA 1.357 57.317 55.803 0.261 0.000 0.848 362 Q CB 0.325 29.204 28.738 0.235 0.000 0.931 362 Q HN 0.533 nan 8.270 nan 0.000 0.470 363 E N -0.628 119.667 120.200 0.158 0.000 2.343 363 E HA 0.482 4.832 4.350 -0.000 0.000 0.278 363 E C -1.536 175.072 176.600 0.013 0.000 0.910 363 E CA -0.488 55.943 56.400 0.052 0.000 0.757 363 E CB 1.048 30.750 29.700 0.004 0.000 1.218 363 E HN 0.224 nan 8.360 nan 0.000 0.435 364 L N 1.754 122.966 121.223 -0.018 0.000 2.279 364 L HA 0.510 4.850 4.340 -0.000 0.000 0.262 364 L C 0.185 177.010 176.870 -0.075 0.000 1.019 364 L CA -1.238 53.567 54.840 -0.058 0.000 0.823 364 L CB 1.443 43.477 42.059 -0.041 0.000 1.358 364 L HN 0.565 nan 8.230 nan 0.000 0.432 365 D N 0.124 120.468 120.400 -0.092 0.000 2.349 365 D HA 0.128 4.768 4.640 -0.000 0.000 0.239 365 D C 0.602 176.846 176.300 -0.093 0.000 1.315 365 D CA 0.384 54.333 54.000 -0.086 0.000 0.937 365 D CB 1.171 41.918 40.800 -0.089 0.000 1.133 365 D HN 0.639 nan 8.370 nan 0.000 0.489 366 A N 0.386 123.154 122.820 -0.086 0.000 2.208 366 A HA -0.042 4.278 4.320 -0.000 0.000 0.209 366 A C 0.884 178.401 177.584 -0.113 0.000 1.161 366 A CA 0.716 52.695 52.037 -0.096 0.000 0.782 366 A CB 0.104 19.056 19.000 -0.080 0.000 0.816 366 A HN 0.363 nan 8.150 nan 0.000 0.477 367 D N 0.158 120.492 120.400 -0.111 0.000 2.440 367 D HA 0.062 4.702 4.640 -0.000 0.000 0.216 367 D C -0.275 175.920 176.300 -0.175 0.000 1.150 367 D CA -0.143 53.786 54.000 -0.119 0.000 0.832 367 D CB 0.001 40.754 40.800 -0.078 0.000 0.992 367 D HN 0.311 nan 8.370 nan 0.000 0.502 368 N N 1.250 119.825 118.700 -0.209 0.000 2.741 368 N HA -0.144 4.596 4.740 -0.000 0.000 0.250 368 N C -0.393 175.007 175.510 -0.183 0.000 1.115 368 N CA 0.804 53.671 53.050 -0.305 0.000 0.724 368 N CB -0.631 37.355 38.487 -0.835 0.000 1.090 368 N HN 0.254 nan 8.380 nan 0.000 0.558 369 K N 0.829 121.152 120.400 -0.128 0.000 2.156 369 K HA 0.405 4.725 4.320 -0.000 0.000 0.271 369 K C 0.555 177.049 176.600 -0.177 0.000 0.995 369 K CA -0.658 55.558 56.287 -0.118 0.000 0.890 369 K CB 1.686 34.130 32.500 -0.093 0.000 1.073 369 K HN -0.121 nan 8.250 nan 0.000 0.454 370 V N 2.749 122.487 119.914 -0.293 0.000 2.694 370 V HA -0.029 4.091 4.120 -0.000 0.000 0.306 370 V C 0.949 176.878 176.094 -0.275 0.000 1.054 370 V CA 0.195 62.230 62.300 -0.442 0.000 1.161 370 V CB 0.191 31.456 31.823 -0.930 0.000 0.916 370 V HN 0.908 nan 8.190 nan 0.000 0.490 371 T N 1.003 115.443 114.554 -0.190 0.000 2.859 371 T HA 0.463 4.813 4.350 -0.000 0.000 0.281 371 T C 0.105 174.768 174.700 -0.061 0.000 1.005 371 T CA -0.281 61.757 62.100 -0.104 0.000 1.025 371 T CB 1.573 70.403 68.868 -0.062 0.000 0.977 371 T HN 0.797 nan 8.240 nan 0.000 0.458 378 K N 1.627 122.178 120.400 0.251 0.000 3.350 378 K HA 0.165 4.485 4.320 -0.000 0.000 0.167 378 K C 0.820 177.474 176.600 0.090 0.000 1.058 378 K CA -0.309 56.076 56.287 0.163 0.000 0.783 378 K CB 1.410 34.003 32.500 0.155 0.000 0.872 378 K HN 0.399 nan 8.250 nan 0.000 0.561 379 Q N 0.291 119.986 119.800 -0.175 0.000 2.515 379 Q HA -0.044 4.296 4.340 -0.000 0.000 0.212 379 Q C -0.553 175.266 176.000 -0.301 0.000 0.970 379 Q CA 0.949 56.461 55.803 -0.484 0.000 0.941 379 Q CB -0.186 27.594 28.738 -1.597 0.000 0.998 379 Q HN 0.385 nan 8.270 nan 0.000 0.518 380 D N -0.204 120.140 120.400 -0.094 0.000 2.671 380 D HA 0.447 5.087 4.640 -0.000 0.000 0.232 380 D C 0.286 176.582 176.300 -0.007 0.000 1.114 380 D CA -0.720 53.265 54.000 -0.025 0.000 0.858 380 D CB 1.212 42.077 40.800 0.109 0.000 1.544 380 D HN 0.095 nan 8.370 nan 0.000 0.471 381 I N 0.355 120.910 120.570 -0.025 0.000 4.670 381 I HA 0.241 4.411 4.170 -0.000 0.000 0.339 381 I C 0.867 176.906 176.117 -0.129 0.000 1.310 381 I CA -0.551 60.693 61.300 -0.094 0.000 1.288 381 I CB -0.044 37.926 38.000 -0.051 0.000 1.427 381 I HN 0.410 nan 8.210 nan 0.000 0.494 382 Y N 2.653 122.825 120.300 -0.213 0.000 2.128 382 Y HA -0.236 4.314 4.550 -0.000 0.000 0.284 382 Y C 2.555 178.208 175.900 -0.411 0.000 1.154 382 Y CA 2.003 59.942 58.100 -0.269 0.000 1.149 382 Y CB -0.566 37.707 38.460 -0.312 0.000 0.976 382 Y HN 0.191 nan 8.280 nan 0.000 0.505 383 H N 0.452 119.078 119.070 -0.739 0.000 2.387 383 H HA -0.123 4.433 4.556 -0.000 0.000 0.299 383 H C 2.321 177.269 175.328 -0.632 0.000 1.090 383 H CA 1.877 57.421 56.048 -0.840 0.000 1.332 383 H CB -0.337 29.256 29.762 -0.282 0.000 1.386 383 H HN 0.423 nan 8.280 nan 0.000 0.516 384 L N 0.608 121.598 121.223 -0.388 0.000 2.187 384 L HA -0.187 4.153 4.340 -0.000 0.000 0.213 384 L C 2.395 179.105 176.870 -0.267 0.000 1.100 384 L CA 0.620 55.213 54.840 -0.413 0.000 0.765 384 L CB -0.383 41.356 42.059 -0.534 0.000 0.904 384 L HN 0.202 nan 8.230 nan 0.000 0.437 385 L N -1.380 119.670 121.223 -0.288 0.000 2.291 385 L HA -0.162 4.178 4.340 -0.000 0.000 0.214 385 L C 2.202 179.110 176.870 0.062 0.000 1.120 385 L CA 0.851 55.619 54.840 -0.121 0.000 0.799 385 L CB -0.722 41.288 42.059 -0.082 0.000 0.925 385 L HN 0.390 nan 8.230 nan 0.000 0.446 386 H N -0.929 118.115 119.070 -0.043 0.000 2.495 386 H HA -0.103 4.453 4.556 -0.000 0.000 0.287 386 H C 2.174 177.573 175.328 0.118 0.000 1.033 386 H CA 1.084 57.158 56.048 0.043 0.000 1.307 386 H CB 0.242 30.021 29.762 0.028 0.000 1.401 386 H HN 0.590 nan 8.280 nan 0.000 0.555 387 C N -1.305 118.127 119.300 0.220 0.000 3.230 387 C HA 0.344 4.804 4.460 -0.000 0.000 0.300 387 C C 1.815 177.081 174.990 0.459 0.000 1.292 387 C CA -0.600 58.609 59.018 0.319 0.000 1.707 387 C CB -0.595 27.221 27.740 0.127 0.000 2.181 387 C HN 0.373 nan 8.230 nan 0.000 0.655 388 L N 0.548 121.934 121.223 0.272 0.000 2.388 388 L HA 0.194 4.534 4.340 -0.000 0.000 0.209 388 L C 2.473 179.418 176.870 0.125 0.000 1.061 388 L CA 0.732 55.710 54.840 0.230 0.000 0.834 388 L CB -0.029 42.063 42.059 0.056 0.000 1.029 388 L HN 0.190 nan 8.230 nan 0.000 0.473 389 V N -0.706 119.260 119.914 0.087 0.000 2.788 389 V HA 0.000 4.120 4.120 -0.000 0.000 0.241 389 V C 2.146 178.271 176.094 0.051 0.000 1.083 389 V CA 0.473 62.812 62.300 0.065 0.000 1.103 389 V CB 0.577 32.441 31.823 0.068 0.000 0.800 389 V HN 0.187 nan 8.190 nan 0.000 0.476 390 I N 1.703 122.321 120.570 0.080 0.000 2.194 390 I HA -0.151 4.019 4.170 -0.000 0.000 0.246 390 I C -0.355 175.569 176.117 -0.322 0.000 1.093 390 I CA 1.753 63.078 61.300 0.042 0.000 1.355 390 I CB -1.009 37.090 38.000 0.165 0.000 1.046 390 I HN 0.372 nan 8.210 nan 0.000 0.413 391 P HA -0.065 nan 4.420 nan 0.000 0.247 391 P C 0.771 177.726 177.300 -0.574 0.000 1.225 391 P CA 1.001 63.302 63.100 -1.331 0.000 0.768 391 P CB -0.129 31.336 31.700 -0.392 0.000 1.020 392 R N -0.248 120.137 120.500 -0.193 0.000 2.365 392 R HA 0.317 4.657 4.340 -0.000 0.000 0.223 392 R C 1.183 177.526 176.300 0.071 0.000 0.899 392 R CA 0.087 56.194 56.100 0.011 0.000 1.059 392 R CB 0.315 30.642 30.300 0.046 0.000 1.086 392 R HN 0.304 nan 8.270 nan 0.000 0.522 393 I N -2.575 118.043 120.570 0.081 0.000 3.145 393 I HA 0.631 4.801 4.170 -0.000 0.000 0.313 393 I C -2.852 173.404 176.117 0.232 0.000 1.122 393 I CA -3.275 58.111 61.300 0.144 0.000 0.987 393 I CB 1.804 39.877 38.000 0.121 0.000 1.236 393 I HN -0.346 nan 8.210 nan 0.000 0.453 394 P HA 0.284 nan 4.420 nan 0.000 0.273 394 P C 0.431 177.859 177.300 0.212 0.000 1.250 394 P CA -0.420 62.786 63.100 0.177 0.000 0.793 394 P CB 0.715 32.487 31.700 0.121 0.000 1.011 395 L N -0.655 120.673 121.223 0.176 0.000 2.478 395 L HA 0.148 4.488 4.340 -0.000 0.000 0.223 395 L C 0.901 177.947 176.870 0.292 0.000 1.140 395 L CA 0.598 55.589 54.840 0.252 0.000 0.842 395 L CB -0.365 41.736 42.059 0.070 0.000 0.953 395 L HN 0.337 nan 8.230 nan 0.000 0.452 396 A N 0.190 123.118 122.820 0.180 0.000 2.398 396 A HA 0.691 5.011 4.320 -0.000 0.000 0.301 396 A C -2.406 175.251 177.584 0.121 0.000 1.041 396 A CA -1.079 51.051 52.037 0.154 0.000 0.711 396 A CB 1.113 20.190 19.000 0.129 0.000 1.240 396 A HN -0.174 nan 8.150 nan 0.000 0.420 397 P HA 0.404 nan 4.420 nan 0.000 0.302 397 P C 0.747 178.103 177.300 0.093 0.000 1.307 397 P CA -0.063 63.110 63.100 0.122 0.000 0.754 397 P CB 0.358 32.122 31.700 0.107 0.000 1.298 398 G N -0.727 108.106 108.800 0.055 0.000 2.771 398 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.242 398 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.242 398 G C 1.015 175.927 174.900 0.020 0.000 1.233 398 G CA -0.104 44.977 45.100 -0.031 0.000 0.858 398 G HN 0.615 nan 8.290 nan 0.000 0.591 399 M N 1.242 120.852 119.600 0.017 0.000 2.399 399 M HA -0.185 4.295 4.480 -0.000 0.000 0.263 399 M C 2.741 179.082 176.300 0.068 0.000 1.067 399 M CA 2.893 58.239 55.300 0.077 0.000 1.084 399 M CB -0.480 32.197 32.600 0.128 0.000 1.252 399 M HN 0.601 nan 8.290 nan 0.000 0.454 400 A N 0.150 123.011 122.820 0.067 0.000 1.892 400 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 400 A C -0.289 177.314 177.584 0.032 0.000 1.188 400 A CA 2.111 54.165 52.037 0.028 0.000 0.631 400 A CB -2.298 16.713 19.000 0.019 0.000 0.822 400 A HN 0.510 nan 8.150 nan 0.000 0.447 401 P HA -0.102 nan 4.420 nan 0.000 0.216 401 P C 1.725 179.048 177.300 0.037 0.000 1.150 401 P CA 1.894 65.010 63.100 0.027 0.000 0.837 401 P CB -0.109 31.606 31.700 0.025 0.000 0.786 402 A N -0.664 122.188 122.820 0.052 0.000 1.873 402 A HA -0.138 4.182 4.320 -0.000 0.000 0.215 402 A C 2.308 179.925 177.584 0.056 0.000 1.186 402 A CA 1.757 53.831 52.037 0.062 0.000 0.616 402 A CB -1.663 17.386 19.000 0.083 0.000 0.823 402 A HN 0.024 nan 8.150 nan 0.000 0.442 403 V N -0.156 119.789 119.914 0.052 0.000 2.427 403 V HA -0.195 3.925 4.120 -0.000 0.000 0.248 403 V C 2.992 179.107 176.094 0.035 0.000 1.051 403 V CA 1.766 64.095 62.300 0.048 0.000 1.048 403 V CB -1.126 30.726 31.823 0.048 0.000 0.666 403 V HN 0.597 nan 8.190 nan 0.000 0.456 404 A N 0.012 122.848 122.820 0.028 0.000 2.015 404 A HA 0.014 4.334 4.320 -0.000 0.000 0.219 404 A C 2.236 179.832 177.584 0.019 0.000 1.163 404 A CA 1.620 53.669 52.037 0.020 0.000 0.646 404 A CB -0.504 18.506 19.000 0.016 0.000 0.806 404 A HN 0.570 nan 8.150 nan 0.000 0.448 405 A N -1.570 121.265 122.820 0.025 0.000 2.235 405 A HA 0.404 4.724 4.320 -0.000 0.000 0.208 405 A C 1.706 179.307 177.584 0.028 0.000 1.172 405 A CA 1.135 53.187 52.037 0.024 0.000 0.786 405 A CB -0.983 18.035 19.000 0.031 0.000 0.804 405 A HN 1.867 nan 8.150 nan 0.000 0.479 406 G N -0.906 107.913 108.800 0.031 0.000 2.160 406 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.244 406 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.244 406 G C 0.467 175.392 174.900 0.042 0.000 1.022 406 G CA 0.356 45.476 45.100 0.033 0.000 0.741 406 G HN 0.510 nan 8.290 nan 0.000 0.508 407 L N -0.640 120.614 121.223 0.050 0.000 2.612 407 L HA 0.320 4.660 4.340 -0.000 0.000 0.230 407 L C 1.383 178.295 176.870 0.070 0.000 1.140 407 L CA -0.490 54.386 54.840 0.061 0.000 0.896 407 L CB -0.033 42.068 42.059 0.069 0.000 1.065 407 L HN 0.287 nan 8.230 nan 0.000 0.447 408 L N 1.242 122.503 121.223 0.063 0.000 2.534 408 L HA 0.010 4.350 4.340 -0.000 0.000 0.271 408 L C 0.514 177.425 176.870 0.070 0.000 1.178 408 L CA 0.936 55.816 54.840 0.067 0.000 0.907 408 L CB -0.236 41.858 42.059 0.059 0.000 1.164 408 L HN 0.193 nan 8.230 nan 0.000 0.482 409 D N 2.428 122.877 120.400 0.083 0.000 3.046 409 D HA -0.326 4.314 4.640 -0.000 0.000 0.210 409 D C 1.424 177.778 176.300 0.091 0.000 1.124 409 D CA 1.398 55.453 54.000 0.091 0.000 0.986 409 D CB -1.299 39.548 40.800 0.078 0.000 1.118 409 D HN 0.693 nan 8.370 nan 0.000 0.416 410 I N 0.134 120.755 120.570 0.086 0.000 2.530 410 I HA -0.247 3.923 4.170 -0.000 0.000 0.257 410 I C 1.239 177.408 176.117 0.086 0.000 1.179 410 I CA 1.429 62.776 61.300 0.078 0.000 1.440 410 I CB 0.121 38.163 38.000 0.071 0.000 1.087 410 I HN 0.014 nan 8.210 nan 0.000 0.440 411 N N 0.918 119.684 118.700 0.109 0.000 2.236 411 N HA 0.242 4.982 4.740 -0.000 0.000 0.196 411 N C 0.071 175.662 175.510 0.135 0.000 1.114 411 N CA 0.355 53.475 53.050 0.117 0.000 0.859 411 N CB 0.500 39.066 38.487 0.133 0.000 0.982 411 N HN 0.260 nan 8.380 nan 0.000 0.493 412 A N 0.627 123.526 122.820 0.132 0.000 2.295 412 A HA 0.639 4.959 4.320 -0.000 0.000 0.318 412 A C 0.296 177.945 177.584 0.110 0.000 1.134 412 A CA -0.273 51.848 52.037 0.140 0.000 0.827 412 A CB 1.437 20.525 19.000 0.148 0.000 1.136 412 A HN 0.014 nan 8.150 nan 0.000 0.493 413 K N 0.000 120.466 120.400 0.110 0.000 2.780 413 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 413 K CA 0.000 56.339 56.287 0.087 0.000 0.838 413 K CB 0.000 32.549 32.500 0.081 0.000 1.064 413 K HN 0.000 nan 8.250 nan 0.000 0.543