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 2aaa_1_A DATA FIRST_RESID 1 DATA SEQUENCE LSAASWRTQS IYFLLTDRFG RTDNSTTATc NTGNEIYcGG SWQGIIDHLD DATA SEQUENCE YIEGMGFTAI WISPITEQLP QDTADGEAYH GYWQQKIYDV NSNFGTADNL DATA SEQUENCE KSLSDALHAR GMYLMVDVVP DHMGYAGNGN DVDYSVFDPF DSSSYFHPYc DATA SEQUENCE LITDWDNLTM VEDcWEGDTI VSLPDLDTTE TAVRTIWYDW VADLVSNYSV DATA SEQUENCE DGLRIDSVLE VQPDFFPGYN KASGVYCVGE IDNGNPASDc PYQKVLDGVL DATA SEQUENCE NYPIYWQLLY AFESSSGSIS NLYNMIKSVA SDcSDPTLLG NFIENHDNPR DATA SEQUENCE FAKYTSDYSQ AKNVLSYIFL SDGIPIVYAG EEQHYAGGKV PYNREATWLS DATA SEQUENCE GYDTSAELYT WIATTNAIRK LAIAADSAYI TYANDAFYTD SNTIAMAKGT DATA SEQUENCE SGSQVITVLS NKGSSGSSYT LTLSGSGYTS GTKLIEAYTc TSVTVDSSGD DATA SEQUENCE IPVPMASGLP RVLLPASVVD SSSLcG 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 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 177.003 176.870 0.222 0.000 1.165 1 L CA 0.000 54.865 54.840 0.042 0.000 0.813 1 L CB 0.000 41.867 42.059 -0.320 0.000 0.961 2 S N 0.827 116.608 115.700 0.134 0.000 2.669 2 S HA 0.588 5.078 4.470 0.034 0.000 0.270 2 S C 1.070 175.790 174.600 0.200 0.000 1.225 2 S CA 0.198 58.491 58.200 0.156 0.000 0.991 2 S CB 1.828 65.067 63.200 0.064 0.000 0.987 2 S HN 0.784 nan 8.310 nan 0.000 0.552 3 A N 1.681 124.608 122.820 0.178 0.000 1.877 3 A HA 0.142 4.483 4.320 0.034 0.000 0.216 3 A C 2.474 180.047 177.584 -0.018 0.000 1.186 3 A CA 1.992 54.090 52.037 0.102 0.000 0.620 3 A CB -1.850 17.274 19.000 0.208 0.000 0.822 3 A HN 1.464 nan 8.150 nan 0.000 0.443 4 A N -0.132 122.691 122.820 0.006 0.000 1.903 4 A HA -0.169 4.171 4.320 0.034 0.000 0.219 4 A C 2.414 179.966 177.584 -0.053 0.000 1.191 4 A CA 2.480 54.504 52.037 -0.022 0.000 0.638 4 A CB -0.972 18.022 19.000 -0.012 0.000 0.823 4 A HN 0.565 nan 8.150 nan 0.000 0.451 5 S N -2.073 113.584 115.700 -0.072 0.000 2.428 5 S HA -0.141 4.349 4.470 0.034 0.000 0.230 5 S C 1.476 175.930 174.600 -0.242 0.000 1.014 5 S CA 0.931 59.038 58.200 -0.154 0.000 0.957 5 S CB -0.490 62.592 63.200 -0.196 0.000 0.784 5 S HN 0.753 nan 8.310 nan 0.000 0.499 6 W N 2.529 123.628 121.300 -0.335 0.000 2.374 6 W HA 0.060 4.742 4.660 0.036 0.000 0.288 6 W C 2.461 178.778 176.519 -0.335 0.000 1.218 6 W CA 0.422 57.504 57.345 -0.440 0.000 1.245 6 W CB -0.162 28.806 29.460 -0.821 0.000 1.126 6 W HN 0.185 nan 8.180 nan 0.000 0.545 7 R N -0.617 119.839 120.500 -0.074 0.000 2.119 7 R HA -0.206 4.155 4.340 0.034 0.000 0.246 7 R C 1.994 178.286 176.300 -0.012 0.000 1.146 7 R CA 2.147 58.217 56.100 -0.050 0.000 0.962 7 R CB -1.262 29.008 30.300 -0.050 0.000 0.863 7 R HN 0.252 nan 8.270 nan 0.000 0.442 8 T N -1.278 113.262 114.554 -0.023 0.000 3.148 8 T HA 0.050 4.421 4.350 0.034 0.000 0.253 8 T C 0.569 175.281 174.700 0.020 0.000 1.134 8 T CA -0.075 62.030 62.100 0.009 0.000 1.051 8 T CB 0.192 69.059 68.868 -0.002 0.000 0.959 8 T HN -0.046 nan 8.240 nan 0.000 0.525 9 Q N 2.149 121.961 119.800 0.021 0.000 2.212 9 Q HA 0.586 4.946 4.340 0.034 0.000 0.238 9 Q C -0.274 175.836 176.000 0.184 0.000 0.955 9 Q CA -0.357 55.492 55.803 0.076 0.000 0.906 9 Q CB 1.582 30.304 28.738 -0.027 0.000 1.215 9 Q HN 0.538 nan 8.270 nan 0.000 0.478 10 S N -0.082 115.780 115.700 0.271 0.000 2.571 10 S HA 0.761 5.251 4.470 0.034 0.000 0.284 10 S C -0.440 174.499 174.600 0.563 0.000 1.128 10 S CA -0.784 57.630 58.200 0.358 0.000 0.970 10 S CB 0.714 64.130 63.200 0.360 0.000 1.039 10 S HN 0.442 nan 8.310 nan 0.000 0.485 11 I N 2.663 123.537 120.570 0.507 0.000 2.530 11 I HA 0.436 4.626 4.170 0.034 0.000 0.297 11 I C -1.223 174.977 176.117 0.138 0.000 1.011 11 I CA -0.956 60.593 61.300 0.416 0.000 1.107 11 I CB 1.710 39.949 38.000 0.399 0.000 1.285 11 I HN 0.781 nan 8.210 nan 0.000 0.436 12 Y N 6.324 126.480 120.300 -0.240 0.000 2.342 12 Y HA 0.450 5.021 4.550 0.034 0.000 0.338 12 Y C -0.947 174.860 175.900 -0.155 0.000 0.965 12 Y CA -0.935 56.841 58.100 -0.541 0.000 1.159 12 Y CB 0.954 38.843 38.460 -0.950 0.000 1.157 12 Y HN 0.431 nan 8.280 nan 0.000 0.486 13 F N 8.663 128.275 119.950 -0.563 0.000 2.411 13 F HA 0.620 5.168 4.527 0.035 0.000 0.350 13 F C -1.628 173.739 175.800 -0.721 0.000 1.114 13 F CA -1.494 56.086 58.000 -0.699 0.000 1.135 13 F CB 0.352 38.749 39.000 -1.005 0.000 1.120 13 F HN 0.425 nan 8.300 nan 0.000 0.495 14 L N 4.903 125.635 121.223 -0.817 0.000 2.376 14 L HA 0.598 4.958 4.340 0.034 0.000 0.258 14 L C -1.893 174.634 176.870 -0.572 0.000 1.013 14 L CA -1.050 53.353 54.840 -0.727 0.000 0.822 14 L CB 1.918 43.691 42.059 -0.478 0.000 1.388 14 L HN 0.433 nan 8.230 nan 0.000 0.413 15 L N 1.868 122.864 121.223 -0.377 0.000 2.257 15 L HA 0.298 4.658 4.340 0.034 0.000 0.290 15 L C 1.047 177.846 176.870 -0.118 0.000 1.044 15 L CA -0.244 54.474 54.840 -0.203 0.000 0.810 15 L CB 1.587 43.596 42.059 -0.083 0.000 1.193 15 L HN 0.952 nan 8.230 nan 0.000 0.425 16 T N 0.974 115.393 114.554 -0.225 0.000 2.685 16 T HA -0.264 4.107 4.350 0.034 0.000 0.268 16 T C 1.393 175.933 174.700 -0.267 0.000 1.034 16 T CA 2.158 64.022 62.100 -0.393 0.000 1.149 16 T CB -0.083 68.163 68.868 -1.036 0.000 0.860 16 T HN 0.667 nan 8.240 nan 0.000 0.449 17 D N 0.230 120.542 120.400 -0.146 0.000 2.264 17 D HA -0.072 4.589 4.640 0.034 0.000 0.208 17 D C 2.115 178.546 176.300 0.219 0.000 0.966 17 D CA 0.668 54.790 54.000 0.202 0.000 0.864 17 D CB 0.187 41.233 40.800 0.410 0.000 0.933 17 D HN 0.104 nan 8.370 nan 0.000 0.499 18 R N -0.902 119.655 120.500 0.095 0.000 2.365 18 R HA 0.101 4.461 4.340 0.034 0.000 0.223 18 R C 1.229 177.535 176.300 0.010 0.000 0.899 18 R CA -0.092 55.962 56.100 -0.076 0.000 1.059 18 R CB -0.416 29.797 30.300 -0.145 0.000 1.086 18 R HN 0.289 nan 8.270 nan 0.000 0.522 19 F N 0.780 120.772 119.950 0.069 0.000 2.164 19 F HA 0.355 4.902 4.527 0.034 0.000 0.287 19 F C 0.832 176.859 175.800 0.378 0.000 1.086 19 F CA 0.908 58.994 58.000 0.144 0.000 1.249 19 F CB 0.223 39.299 39.000 0.127 0.000 1.059 19 F HN -0.043 nan 8.300 nan 0.000 0.490 20 G N 0.166 109.134 108.800 0.280 0.000 2.718 20 G HA2 0.539 4.520 3.960 0.034 0.000 0.295 20 G HA3 0.539 4.520 3.960 0.034 0.000 0.295 20 G C -1.578 173.375 174.900 0.089 0.000 1.421 20 G CA -0.993 44.138 45.100 0.051 0.000 0.902 20 G HN 0.102 nan 8.290 nan 0.000 0.501 21 R N 0.218 120.652 120.500 -0.110 0.000 2.598 21 R HA 0.500 4.860 4.340 0.034 0.000 0.279 21 R C 1.114 177.410 176.300 -0.007 0.000 0.984 21 R CA -0.605 55.401 56.100 -0.156 0.000 0.999 21 R CB 1.448 31.477 30.300 -0.451 0.000 1.114 21 R HN 0.481 nan 8.270 nan 0.000 0.493 22 T N 0.706 115.249 114.554 -0.018 0.000 2.867 22 T HA -0.133 4.237 4.350 0.034 0.000 0.268 22 T C 0.932 175.622 174.700 -0.017 0.000 1.057 22 T CA 1.667 63.773 62.100 0.011 0.000 1.136 22 T CB -0.194 68.680 68.868 0.011 0.000 0.874 22 T HN 0.699 nan 8.240 nan 0.000 0.466 23 D N 0.782 121.146 120.400 -0.060 0.000 2.336 23 D HA 0.004 4.665 4.640 0.034 0.000 0.229 23 D C 0.425 176.687 176.300 -0.063 0.000 1.061 23 D CA -0.056 53.903 54.000 -0.067 0.000 0.875 23 D CB -1.342 39.403 40.800 -0.090 0.000 0.904 23 D HN 0.435 nan 8.370 nan 0.000 0.525 24 N N -0.836 117.851 118.700 -0.021 0.000 2.678 24 N HA -0.272 4.488 4.740 0.034 0.000 0.250 24 N C -0.320 175.180 175.510 -0.016 0.000 1.136 24 N CA 0.760 53.844 53.050 0.057 0.000 0.757 24 N CB -1.300 37.218 38.487 0.052 0.000 1.135 24 N HN 0.297 nan 8.380 nan 0.000 0.565 25 S N -0.870 114.734 115.700 -0.160 0.000 2.568 25 S HA 0.180 4.670 4.470 0.034 0.000 0.282 25 S C 1.149 175.597 174.600 -0.252 0.000 1.338 25 S CA 0.419 58.498 58.200 -0.203 0.000 1.045 25 S CB 1.193 64.232 63.200 -0.268 0.000 0.873 25 S HN 0.221 nan 8.310 nan 0.000 0.516 26 T N 1.604 116.106 114.554 -0.087 0.000 3.003 26 T HA 0.157 4.528 4.350 0.034 0.000 0.261 26 T C 1.392 176.188 174.700 0.159 0.000 1.003 26 T CA 0.556 62.697 62.100 0.068 0.000 0.917 26 T CB 0.035 68.943 68.868 0.066 0.000 1.084 26 T HN 0.859 nan 8.240 nan 0.000 0.522 27 T N -1.343 113.250 114.554 0.066 0.000 2.975 27 T HA 0.532 4.902 4.350 0.034 0.000 0.261 27 T C 0.984 175.754 174.700 0.117 0.000 0.984 27 T CA 0.179 62.334 62.100 0.092 0.000 0.911 27 T CB 0.044 68.932 68.868 0.032 0.000 1.127 27 T HN 0.208 nan 8.240 nan 0.000 0.514 28 A N 2.700 125.548 122.820 0.048 0.000 2.573 28 A HA 0.412 4.752 4.320 0.034 0.000 0.250 28 A C 0.702 178.502 177.584 0.360 0.000 1.049 28 A CA 0.119 52.201 52.037 0.076 0.000 0.767 28 A CB -0.637 18.194 19.000 -0.282 0.000 0.965 28 A HN 0.485 nan 8.150 nan 0.000 0.514 29 T N 1.716 116.376 114.554 0.177 0.000 2.940 29 T HA 0.278 4.648 4.350 0.034 0.000 0.309 29 T C 0.069 174.858 174.700 0.148 0.000 1.056 29 T CA 0.355 62.532 62.100 0.129 0.000 1.137 29 T CB 0.381 69.284 68.868 0.059 0.000 0.976 29 T HN 0.931 nan 8.240 nan 0.000 0.547 30 c N 5.059 123.686 118.600 0.045 0.000 3.171 30 c HA 0.365 4.955 4.570 0.034 0.000 0.336 30 c C 0.102 174.125 174.090 -0.112 0.000 1.035 30 c CA -1.060 55.245 56.329 -0.040 0.000 1.361 30 c CB -1.064 41.365 42.510 -0.136 0.000 1.804 30 c HN 1.040 nan 8.230 nan 0.000 0.535 31 N N 2.703 121.350 118.700 -0.090 0.000 2.402 31 N HA 0.107 4.868 4.740 0.034 0.000 0.252 31 N C 1.560 176.967 175.510 -0.172 0.000 1.118 31 N CA 0.482 53.469 53.050 -0.105 0.000 0.945 31 N CB 1.075 39.528 38.487 -0.058 0.000 1.147 31 N HN 0.792 nan 8.380 nan 0.000 0.495 32 T N 0.677 115.092 114.554 -0.231 0.000 2.720 32 T HA -0.149 4.221 4.350 0.034 0.000 0.268 32 T C 1.967 176.448 174.700 -0.365 0.000 1.037 32 T CA 1.251 63.159 62.100 -0.320 0.000 1.144 32 T CB -0.696 67.951 68.868 -0.369 0.000 0.864 32 T HN 0.516 nan 8.240 nan 0.000 0.444 33 G N 1.281 109.838 108.800 -0.404 0.000 2.479 33 G HA2 -0.194 3.786 3.960 0.034 0.000 0.220 33 G HA3 -0.194 3.786 3.960 0.034 0.000 0.220 33 G C 1.508 176.325 174.900 -0.139 0.000 1.115 33 G CA 0.663 45.558 45.100 -0.343 0.000 0.757 33 G HN 0.682 nan 8.290 nan 0.000 0.560 34 N N 0.461 119.090 118.700 -0.118 0.000 2.459 34 N HA -0.012 4.748 4.740 0.034 0.000 0.181 34 N C 0.031 175.515 175.510 -0.044 0.000 1.046 34 N CA 0.198 53.212 53.050 -0.059 0.000 0.904 34 N CB -0.046 38.408 38.487 -0.054 0.000 0.964 34 N HN 0.363 nan 8.380 nan 0.000 0.444 35 E N 0.767 120.909 120.200 -0.096 0.000 2.165 35 E HA -0.214 4.156 4.350 0.034 0.000 0.203 35 E C -0.538 176.065 176.600 0.004 0.000 1.335 35 E CA 0.265 56.645 56.400 -0.034 0.000 0.708 35 E CB -1.608 28.190 29.700 0.163 0.000 1.105 35 E HN 0.592 nan 8.360 nan 0.000 0.346 36 I N -3.965 116.511 120.570 -0.156 0.000 2.957 36 I HA 0.480 4.670 4.170 0.034 0.000 0.310 36 I C 0.010 176.028 176.117 -0.166 0.000 1.063 36 I CA -1.488 59.782 61.300 -0.050 0.000 1.033 36 I CB 1.031 39.048 38.000 0.027 0.000 1.230 36 I HN -0.193 nan 8.210 nan 0.000 0.447 37 Y N 1.983 122.266 120.300 -0.028 0.000 2.526 37 Y HA 0.114 4.685 4.550 0.035 0.000 0.330 37 Y C 0.991 176.889 175.900 -0.002 0.000 1.156 37 Y CA 0.123 58.226 58.100 0.006 0.000 1.419 37 Y CB 0.882 39.368 38.460 0.043 0.000 1.250 37 Y HN 0.630 nan 8.280 nan 0.000 0.540 38 c N 1.286 119.992 118.600 0.177 0.000 2.926 38 c HA 0.313 4.904 4.570 0.034 0.000 0.272 38 c C 1.657 175.941 174.090 0.323 0.000 1.249 38 c CA 0.466 56.931 56.329 0.227 0.000 1.691 38 c CB -0.617 42.016 42.510 0.205 0.000 1.983 38 c HN 1.217 nan 8.230 nan 0.000 0.615 39 G N 0.375 109.364 108.800 0.315 0.000 2.168 39 G HA2 -0.040 3.940 3.960 0.034 0.000 0.197 39 G HA3 -0.040 3.940 3.960 0.034 0.000 0.197 39 G C 0.341 175.342 174.900 0.169 0.000 0.997 39 G CA -0.119 45.105 45.100 0.208 0.000 0.658 39 G HN 0.767 nan 8.290 nan 0.000 0.513 40 G N 0.266 109.243 108.800 0.295 0.000 2.491 40 G HA2 0.611 4.592 3.960 0.034 0.000 0.238 40 G HA3 0.611 4.592 3.960 0.034 0.000 0.238 40 G C 0.433 175.408 174.900 0.124 0.000 1.277 40 G CA 1.275 46.519 45.100 0.240 0.000 0.851 40 G HN 1.702 nan 8.290 nan 0.000 0.573 41 S N 0.375 116.114 115.700 0.065 0.000 2.685 41 S HA 0.415 4.905 4.470 0.034 0.000 0.282 41 S C 0.332 174.956 174.600 0.040 0.000 1.159 41 S CA -0.924 57.263 58.200 -0.022 0.000 0.833 41 S CB 1.113 64.334 63.200 0.034 0.000 1.151 41 S HN 0.576 nan 8.310 nan 0.000 0.485 42 W N 0.749 122.123 121.300 0.123 0.000 2.402 42 W HA 0.035 4.714 4.660 0.033 0.000 0.286 42 W C 2.348 178.929 176.519 0.104 0.000 1.221 42 W CA 1.150 58.550 57.345 0.091 0.000 1.257 42 W CB -0.907 28.605 29.460 0.086 0.000 1.120 42 W HN 0.880 nan 8.180 nan 0.000 0.551 43 Q N 0.280 120.250 119.800 0.283 0.000 2.123 43 Q HA -0.033 4.328 4.340 0.034 0.000 0.199 43 Q C 2.412 178.520 176.000 0.181 0.000 0.966 43 Q CA 2.229 58.148 55.803 0.193 0.000 0.845 43 Q CB -0.975 27.847 28.738 0.140 0.000 0.907 43 Q HN 0.130 nan 8.270 nan 0.000 0.439 44 G N 0.211 109.129 108.800 0.197 0.000 2.448 44 G HA2 -0.195 3.786 3.960 0.034 0.000 0.219 44 G HA3 -0.195 3.786 3.960 0.034 0.000 0.219 44 G C 1.328 176.484 174.900 0.427 0.000 1.127 44 G CA 0.981 46.237 45.100 0.260 0.000 0.766 44 G HN 0.416 nan 8.290 nan 0.000 0.552 45 I N 0.408 121.223 120.570 0.408 0.000 2.193 45 I HA -0.061 4.129 4.170 0.034 0.000 0.240 45 I C 2.614 178.935 176.117 0.340 0.000 1.084 45 I CA 0.604 62.193 61.300 0.483 0.000 1.365 45 I CB -0.247 37.946 38.000 0.322 0.000 1.064 45 I HN 0.097 nan 8.210 nan 0.000 0.410 46 I N 1.014 121.716 120.570 0.221 0.000 2.145 46 I HA -0.360 3.830 4.170 0.034 0.000 0.244 46 I C 2.029 178.188 176.117 0.070 0.000 1.075 46 I CA 1.571 62.947 61.300 0.126 0.000 1.332 46 I CB -0.645 37.414 38.000 0.098 0.000 1.033 46 I HN 0.269 nan 8.210 nan 0.000 0.410 47 D N -0.154 120.262 120.400 0.027 0.000 2.182 47 D HA -0.170 4.490 4.640 0.034 0.000 0.201 47 D C 1.381 177.406 176.300 -0.460 0.000 0.986 47 D CA 1.476 55.347 54.000 -0.214 0.000 0.847 47 D CB -0.283 40.370 40.800 -0.244 0.000 0.942 47 D HN 0.537 nan 8.370 nan 0.000 0.467 48 H N -0.772 118.313 119.070 0.025 0.000 2.469 48 H HA 0.316 4.892 4.556 0.034 0.000 0.286 48 H C 1.527 176.976 175.328 0.201 0.000 1.106 48 H CA -0.225 55.819 56.048 -0.007 0.000 1.055 48 H CB 0.218 29.792 29.762 -0.312 0.000 1.618 48 H HN -0.014 nan 8.280 nan 0.000 0.559 49 L N 0.013 121.357 121.223 0.201 0.000 2.141 49 L HA -0.155 4.205 4.340 0.034 0.000 0.209 49 L C 1.363 178.316 176.870 0.138 0.000 1.094 49 L CA 1.095 56.033 54.840 0.162 0.000 0.763 49 L CB 0.022 42.136 42.059 0.092 0.000 0.908 49 L HN 0.362 nan 8.230 nan 0.000 0.437 50 D N -0.796 119.676 120.400 0.120 0.000 2.117 50 D HA -0.249 4.411 4.640 0.034 0.000 0.197 50 D C 1.813 178.218 176.300 0.175 0.000 0.987 50 D CA 1.136 55.203 54.000 0.113 0.000 0.829 50 D CB -0.183 40.666 40.800 0.082 0.000 0.961 50 D HN 0.298 nan 8.370 nan 0.000 0.460 51 Y N 1.212 121.602 120.300 0.149 0.000 2.128 51 Y HA -0.204 4.366 4.550 0.034 0.000 0.284 51 Y C 2.090 178.147 175.900 0.261 0.000 1.154 51 Y CA 1.516 59.770 58.100 0.258 0.000 1.149 51 Y CB -0.332 38.286 38.460 0.263 0.000 0.976 51 Y HN -0.053 nan 8.280 nan 0.000 0.505 52 I N -0.051 120.598 120.570 0.132 0.000 2.193 52 I HA -0.237 3.954 4.170 0.034 0.000 0.240 52 I C 2.457 178.557 176.117 -0.028 0.000 1.084 52 I CA 1.725 62.943 61.300 -0.137 0.000 1.365 52 I CB -0.540 37.355 38.000 -0.175 0.000 1.064 52 I HN 0.239 nan 8.210 nan 0.000 0.410 53 E N 1.098 121.321 120.200 0.039 0.000 2.204 53 E HA -0.184 4.186 4.350 0.034 0.000 0.195 53 E C 2.198 178.798 176.600 -0.000 0.000 0.990 53 E CA 1.066 57.489 56.400 0.039 0.000 0.821 53 E CB -0.142 29.583 29.700 0.041 0.000 0.750 53 E HN 0.537 nan 8.360 nan 0.000 0.477 54 G N 0.226 109.040 108.800 0.023 0.000 2.509 54 G HA2 -0.205 3.776 3.960 0.034 0.000 0.218 54 G HA3 -0.205 3.776 3.960 0.034 0.000 0.218 54 G C 1.310 176.147 174.900 -0.105 0.000 1.124 54 G CA 0.236 45.365 45.100 0.049 0.000 0.776 54 G HN 0.207 nan 8.290 nan 0.000 0.547 55 M N 0.219 119.619 119.600 -0.333 0.000 2.561 55 M HA 0.237 4.738 4.480 0.034 0.000 0.238 55 M C 1.749 177.720 176.300 -0.548 0.000 1.131 55 M CA 0.625 55.591 55.300 -0.557 0.000 1.046 55 M CB 0.554 32.821 32.600 -0.554 0.000 1.532 55 M HN 0.297 nan 8.290 nan 0.000 0.497 56 G N 0.556 109.151 108.800 -0.342 0.000 2.148 56 G HA2 -0.258 3.722 3.960 0.034 0.000 0.254 56 G HA3 -0.258 3.722 3.960 0.034 0.000 0.254 56 G C -0.065 174.668 174.900 -0.278 0.000 0.981 56 G CA -0.435 44.493 45.100 -0.287 0.000 0.670 56 G HN 0.358 nan 8.290 nan 0.000 0.528 57 F N 0.756 120.708 119.950 0.003 0.000 2.506 57 F HA 0.424 4.971 4.527 0.033 0.000 0.351 57 F C 1.998 177.843 175.800 0.075 0.000 1.136 57 F CA 0.977 59.028 58.000 0.085 0.000 1.298 57 F CB 1.042 40.094 39.000 0.086 0.000 1.145 57 F HN 0.120 nan 8.300 nan 0.000 0.593 58 T N -1.189 113.561 114.554 0.327 0.000 3.010 58 T HA 0.681 5.051 4.350 0.034 0.000 0.257 58 T C 0.115 174.974 174.700 0.266 0.000 1.020 58 T CA 0.276 62.510 62.100 0.223 0.000 0.938 58 T CB 0.001 68.988 68.868 0.198 0.000 1.049 58 T HN 0.706 nan 8.240 nan 0.000 0.522 59 A N 1.373 124.401 122.820 0.347 0.000 2.594 59 A HA 0.774 5.114 4.320 0.034 0.000 0.295 59 A C -1.170 176.629 177.584 0.358 0.000 1.071 59 A CA -1.245 51.021 52.037 0.382 0.000 0.685 59 A CB 1.173 20.488 19.000 0.526 0.000 1.285 59 A HN 0.710 nan 8.150 nan 0.000 0.405 60 I N -2.394 118.374 120.570 0.330 0.000 2.740 60 I HA 0.887 5.077 4.170 0.034 0.000 0.303 60 I C -0.978 175.363 176.117 0.372 0.000 1.044 60 I CA -0.841 60.625 61.300 0.277 0.000 1.064 60 I CB 2.076 40.175 38.000 0.164 0.000 1.249 60 I HN 0.798 nan 8.210 nan 0.000 0.433 61 W N 7.903 129.290 121.300 0.146 0.000 2.417 61 W HA 0.760 5.439 4.660 0.032 0.000 0.315 61 W C -1.365 175.248 176.519 0.157 0.000 1.045 61 W CA -1.998 55.419 57.345 0.120 0.000 1.221 61 W CB 0.718 30.191 29.460 0.021 0.000 1.309 61 W HN 0.667 nan 8.180 nan 0.000 0.453 62 I N 2.566 123.420 120.570 0.474 0.000 2.863 62 I HA 0.657 4.848 4.170 0.034 0.000 0.311 62 I C 0.506 176.838 176.117 0.359 0.000 1.026 62 I CA -0.902 60.571 61.300 0.288 0.000 1.077 62 I CB 1.615 39.736 38.000 0.202 0.000 1.262 62 I HN 0.245 nan 8.210 nan 0.000 0.461 63 S N 3.186 119.009 115.700 0.205 0.000 2.580 63 S HA 0.157 4.647 4.470 0.034 0.000 0.261 63 S C -2.205 172.533 174.600 0.229 0.000 1.366 63 S CA -0.321 57.980 58.200 0.169 0.000 0.996 63 S CB -0.525 62.690 63.200 0.025 0.000 0.902 63 S HN 0.567 nan 8.310 nan 0.000 0.566 64 P HA 0.046 nan 4.420 nan 0.000 0.267 64 P C 0.469 177.994 177.300 0.376 0.000 1.201 64 P CA 0.062 63.294 63.100 0.220 0.000 0.775 64 P CB 0.226 31.992 31.700 0.110 0.000 0.854 65 I N -1.724 119.084 120.570 0.395 0.000 4.139 65 I HA 0.186 4.376 4.170 0.034 0.000 0.335 65 I C 0.473 176.872 176.117 0.470 0.000 1.327 65 I CA -0.046 61.574 61.300 0.533 0.000 1.112 65 I CB -0.659 37.539 38.000 0.331 0.000 1.058 65 I HN 0.150 nan 8.210 nan 0.000 0.396 66 T N -0.336 114.442 114.554 0.373 0.000 2.913 66 T HA 0.176 4.546 4.350 0.034 0.000 0.297 66 T C 0.279 175.115 174.700 0.226 0.000 1.029 66 T CA -0.523 61.765 62.100 0.314 0.000 1.104 66 T CB 1.024 70.073 68.868 0.301 0.000 0.964 66 T HN 0.295 nan 8.240 nan 0.000 0.532 67 E N 2.207 122.527 120.200 0.200 0.000 2.529 67 E HA -0.047 4.323 4.350 0.034 0.000 0.259 67 E C -0.084 176.605 176.600 0.149 0.000 0.966 67 E CA 0.287 56.769 56.400 0.136 0.000 0.937 67 E CB 0.439 30.223 29.700 0.141 0.000 0.923 67 E HN 0.601 nan 8.360 nan 0.000 0.468 68 Q N 1.913 121.787 119.800 0.124 0.000 2.427 68 Q HA 0.317 4.677 4.340 0.034 0.000 0.232 68 Q C -0.102 176.009 176.000 0.185 0.000 1.018 68 Q CA -0.995 54.918 55.803 0.184 0.000 0.965 68 Q CB 0.426 29.259 28.738 0.160 0.000 1.232 68 Q HN 0.499 nan 8.270 nan 0.000 0.510 69 L N -0.362 121.006 121.223 0.242 0.000 2.453 69 L HA 0.251 4.611 4.340 0.034 0.000 0.272 69 L C -1.863 175.100 176.870 0.156 0.000 1.182 69 L CA -0.664 54.279 54.840 0.171 0.000 0.858 69 L CB -0.381 41.764 42.059 0.143 0.000 1.120 69 L HN 0.330 nan 8.230 nan 0.000 0.474 70 P HA 0.079 nan 4.420 nan 0.000 0.251 70 P C -0.064 177.284 177.300 0.079 0.000 1.223 70 P CA 0.336 63.479 63.100 0.072 0.000 0.796 70 P CB 0.429 32.143 31.700 0.023 0.000 1.068 71 Q N 0.326 120.167 119.800 0.068 0.000 2.317 71 Q HA 0.356 4.716 4.340 0.034 0.000 0.229 71 Q C -0.135 175.938 176.000 0.121 0.000 0.984 71 Q CA 0.024 55.861 55.803 0.056 0.000 0.911 71 Q CB 0.266 28.992 28.738 -0.019 0.000 1.217 71 Q HN -0.112 nan 8.270 nan 0.000 0.501 72 D N 0.006 120.462 120.400 0.094 0.000 2.192 72 D HA 0.457 5.117 4.640 0.034 0.000 0.246 72 D C -1.048 175.305 176.300 0.087 0.000 1.042 72 D CA -0.218 53.855 54.000 0.120 0.000 0.847 72 D CB 1.044 41.904 40.800 0.099 0.000 1.186 72 D HN 0.595 nan 8.370 nan 0.000 0.461 73 T N -0.793 113.830 114.554 0.115 0.000 2.804 73 T HA 0.630 5.000 4.350 0.034 0.000 0.290 73 T C 0.797 175.555 174.700 0.098 0.000 1.099 73 T CA -0.338 61.808 62.100 0.077 0.000 1.011 73 T CB 1.128 70.018 68.868 0.036 0.000 1.291 73 T HN 0.120 nan 8.240 nan 0.000 0.523 74 A N -0.289 122.575 122.820 0.072 0.000 2.209 74 A HA 0.134 4.475 4.320 0.034 0.000 0.212 74 A C 1.449 179.105 177.584 0.119 0.000 1.158 74 A CA 0.896 52.983 52.037 0.082 0.000 0.742 74 A CB -0.823 18.213 19.000 0.061 0.000 0.790 74 A HN 0.779 nan 8.150 nan 0.000 0.472 75 D N -0.657 119.835 120.400 0.153 0.000 2.339 75 D HA 0.351 5.011 4.640 0.034 0.000 0.217 75 D C 1.228 177.765 176.300 0.395 0.000 1.050 75 D CA 1.254 55.405 54.000 0.253 0.000 0.856 75 D CB 0.284 41.223 40.800 0.232 0.000 0.922 75 D HN 0.556 nan 8.370 nan 0.000 0.518 76 G N 0.667 109.653 108.800 0.310 0.000 2.615 76 G HA2 -0.210 3.770 3.960 0.034 0.000 0.218 76 G HA3 -0.210 3.770 3.960 0.034 0.000 0.218 76 G C -0.423 174.715 174.900 0.396 0.000 1.339 76 G CA -0.690 44.596 45.100 0.311 0.000 0.884 76 G HN 0.219 nan 8.290 nan 0.000 0.559 77 E N -0.441 119.928 120.200 0.281 0.000 2.243 77 E HA 0.607 4.977 4.350 0.034 0.000 0.260 77 E C 0.713 177.131 176.600 -0.304 0.000 0.985 77 E CA -0.492 56.028 56.400 0.200 0.000 0.858 77 E CB 1.655 31.475 29.700 0.201 0.000 1.210 77 E HN 1.151 nan 8.360 nan 0.000 0.411 78 A N 1.134 123.742 122.820 -0.353 0.000 2.426 78 A HA -0.026 4.314 4.320 0.034 0.000 0.247 78 A C 1.013 177.871 177.584 -1.210 0.000 1.389 78 A CA 0.157 51.649 52.037 -0.907 0.000 1.129 78 A CB -1.296 17.646 19.000 -0.096 0.000 0.928 78 A HN 0.673 nan 8.150 nan 0.000 0.557 79 Y N -0.713 118.756 120.300 -1.385 0.000 2.333 79 Y HA -0.251 4.319 4.550 0.034 0.000 0.290 79 Y C 1.832 177.397 175.900 -0.558 0.000 1.144 79 Y CA 1.501 58.863 58.100 -1.229 0.000 1.228 79 Y CB -1.094 36.822 38.460 -0.906 0.000 0.985 79 Y HN 0.643 nan 8.280 nan 0.000 0.542 80 H N -1.405 117.045 119.070 -1.033 0.000 2.535 80 H HA 0.351 4.928 4.556 0.035 0.000 0.273 80 H C 1.974 176.967 175.328 -0.559 0.000 0.983 80 H CA 0.032 55.685 56.048 -0.658 0.000 1.238 80 H CB -0.545 28.825 29.762 -0.654 0.000 1.412 80 H HN 0.392 nan 8.280 nan 0.000 0.562 81 G N -0.246 108.320 108.800 -0.391 0.000 2.157 81 G HA2 -0.343 3.637 3.960 0.034 0.000 0.248 81 G HA3 -0.343 3.637 3.960 0.034 0.000 0.248 81 G C 0.227 175.063 174.900 -0.107 0.000 0.979 81 G CA 0.436 45.432 45.100 -0.173 0.000 0.650 81 G HN 0.510 nan 8.290 nan 0.000 0.529 82 Y N -1.236 119.213 120.300 0.248 0.000 2.468 82 Y HA 0.405 4.977 4.550 0.036 0.000 0.268 82 Y C 0.889 177.090 175.900 0.503 0.000 1.177 82 Y CA -0.855 57.406 58.100 0.268 0.000 1.265 82 Y CB 0.258 38.815 38.460 0.161 0.000 1.103 82 Y HN 0.401 nan 8.280 nan 0.000 0.522 83 W N 2.588 124.115 121.300 0.379 0.000 1.788 83 W HA 0.337 5.017 4.660 0.032 0.000 0.318 83 W C 0.063 176.721 176.519 0.231 0.000 0.785 83 W CA -1.645 55.881 57.345 0.303 0.000 2.625 83 W CB -0.706 28.908 29.460 0.256 0.000 2.210 83 W HN 0.129 nan 8.180 nan 0.000 0.591 84 Q N -0.307 119.721 119.800 0.381 0.000 2.417 84 Q HA 0.265 4.626 4.340 0.034 0.000 0.241 84 Q C 0.289 176.483 176.000 0.324 0.000 1.008 84 Q CA 0.374 56.349 55.803 0.288 0.000 0.901 84 Q CB 1.494 30.360 28.738 0.213 0.000 1.259 84 Q HN 0.360 nan 8.270 nan 0.000 0.489 85 Q N 0.047 120.035 119.800 0.313 0.000 2.546 85 Q HA 0.170 4.530 4.340 0.034 0.000 0.226 85 Q C -0.423 175.772 176.000 0.324 0.000 0.769 85 Q CA 0.172 56.235 55.803 0.434 0.000 0.954 85 Q CB 1.105 30.043 28.738 0.333 0.000 1.319 85 Q HN 0.560 nan 8.270 nan 0.000 0.534 86 K N 2.094 122.615 120.400 0.203 0.000 2.507 86 K HA 0.331 4.672 4.320 0.034 0.000 0.253 86 K C 0.744 177.393 176.600 0.080 0.000 0.969 86 K CA -0.095 56.269 56.287 0.128 0.000 0.908 86 K CB 1.869 34.454 32.500 0.140 0.000 1.127 86 K HN 0.208 nan 8.250 nan 0.000 0.437 87 I N -1.343 119.166 120.570 -0.102 0.000 3.111 87 I HA -0.085 4.105 4.170 0.034 0.000 0.272 87 I C 0.257 176.413 176.117 0.065 0.000 1.268 87 I CA 0.817 62.048 61.300 -0.114 0.000 1.467 87 I CB -0.042 37.641 38.000 -0.528 0.000 1.087 87 I HN 0.442 nan 8.210 nan 0.000 0.467 88 Y N 1.254 121.710 120.300 0.259 0.000 2.461 88 Y HA 0.329 4.900 4.550 0.034 0.000 0.277 88 Y C 0.255 176.307 175.900 0.254 0.000 1.182 88 Y CA -0.619 57.655 58.100 0.290 0.000 1.276 88 Y CB -0.381 38.189 38.460 0.184 0.000 1.087 88 Y HN 0.195 nan 8.280 nan 0.000 0.519 89 D N -0.663 119.930 120.400 0.323 0.000 2.340 89 D HA 0.432 5.092 4.640 0.034 0.000 0.243 89 D C -0.296 176.181 176.300 0.295 0.000 0.988 89 D CA -0.438 53.727 54.000 0.274 0.000 0.959 89 D CB 2.375 43.299 40.800 0.207 0.000 1.226 89 D HN -0.112 nan 8.370 nan 0.000 0.509 90 V N -0.492 119.593 119.914 0.286 0.000 2.973 90 V HA 0.459 4.599 4.120 0.034 0.000 0.314 90 V C 0.429 176.663 176.094 0.234 0.000 1.066 90 V CA -0.954 61.548 62.300 0.338 0.000 1.021 90 V CB 1.283 33.380 31.823 0.455 0.000 1.076 90 V HN 0.383 nan 8.190 nan 0.000 0.462 91 N N 2.079 120.892 118.700 0.189 0.000 2.421 91 N HA 0.041 4.801 4.740 0.034 0.000 0.260 91 N C 1.383 176.757 175.510 -0.228 0.000 1.173 91 N CA 0.794 53.780 53.050 -0.107 0.000 0.960 91 N CB 0.933 39.205 38.487 -0.359 0.000 1.273 91 N HN 1.009 nan 8.380 nan 0.000 0.497 92 S N 2.654 118.270 115.700 -0.140 0.000 2.500 92 S HA -0.108 4.383 4.470 0.034 0.000 0.239 92 S C 1.175 175.636 174.600 -0.231 0.000 0.989 92 S CA 0.799 58.931 58.200 -0.113 0.000 0.951 92 S CB -0.218 62.952 63.200 -0.050 0.000 0.759 92 S HN 0.575 nan 8.310 nan 0.000 0.523 93 N N 0.445 118.895 118.700 -0.416 0.000 2.331 93 N HA 0.135 4.895 4.740 0.034 0.000 0.180 93 N C 0.774 176.123 175.510 -0.268 0.000 1.019 93 N CA 1.132 53.909 53.050 -0.455 0.000 0.881 93 N CB -0.218 37.796 38.487 -0.789 0.000 0.972 93 N HN 0.371 nan 8.380 nan 0.000 0.435 94 F N -0.358 119.305 119.950 -0.478 0.000 2.569 94 F HA 0.376 4.923 4.527 0.033 0.000 0.295 94 F C 1.651 176.964 175.800 -0.811 0.000 1.115 94 F CA 0.323 57.797 58.000 -0.878 0.000 1.450 94 F CB -0.408 37.598 39.000 -1.656 0.000 1.107 94 F HN -0.006 nan 8.300 nan 0.000 0.563 95 G N -0.901 107.716 108.800 -0.305 0.000 2.291 95 G HA2 0.157 4.138 3.960 0.034 0.000 0.249 95 G HA3 0.157 4.138 3.960 0.034 0.000 0.249 95 G C -0.878 174.183 174.900 0.268 0.000 1.340 95 G CA -0.410 44.734 45.100 0.075 0.000 1.017 95 G HN 0.006 nan 8.290 nan 0.000 0.470 96 T N -0.311 114.479 114.554 0.393 0.000 2.948 96 T HA 0.627 4.998 4.350 0.034 0.000 0.285 96 T C 1.733 176.670 174.700 0.396 0.000 1.019 96 T CA 0.988 63.291 62.100 0.339 0.000 1.013 96 T CB 1.263 70.257 68.868 0.209 0.000 1.117 96 T HN 1.601 nan 8.240 nan 0.000 0.533 97 A N 0.850 123.850 122.820 0.301 0.000 1.933 97 A HA -0.073 4.268 4.320 0.034 0.000 0.218 97 A C 1.941 179.678 177.584 0.254 0.000 1.175 97 A CA 1.755 53.970 52.037 0.296 0.000 0.628 97 A CB -0.646 18.540 19.000 0.311 0.000 0.814 97 A HN 0.895 nan 8.150 nan 0.000 0.444 98 D N -0.390 120.129 120.400 0.198 0.000 2.178 98 D HA -0.134 4.527 4.640 0.034 0.000 0.201 98 D C 1.653 178.038 176.300 0.142 0.000 0.980 98 D CA 1.257 55.346 54.000 0.149 0.000 0.842 98 D CB -0.267 40.605 40.800 0.120 0.000 0.948 98 D HN 0.645 nan 8.370 nan 0.000 0.472 99 N N 0.063 118.878 118.700 0.191 0.000 2.142 99 N HA -0.126 4.635 4.740 0.034 0.000 0.186 99 N C 1.827 177.403 175.510 0.109 0.000 1.023 99 N CA 0.168 53.349 53.050 0.217 0.000 0.852 99 N CB 0.075 38.789 38.487 0.378 0.000 0.998 99 N HN 0.016 nan 8.380 nan 0.000 0.424 100 L N 2.112 123.282 121.223 -0.088 0.000 2.017 100 L HA -0.125 4.235 4.340 0.034 0.000 0.208 100 L C 1.694 178.465 176.870 -0.164 0.000 1.073 100 L CA 1.761 56.272 54.840 -0.548 0.000 0.745 100 L CB -0.347 41.025 42.059 -1.145 0.000 0.894 100 L HN 0.005 nan 8.230 nan 0.000 0.432 101 K N -1.185 119.263 120.400 0.081 0.000 2.148 101 K HA -0.073 4.267 4.320 0.034 0.000 0.204 101 K C 2.101 178.730 176.600 0.048 0.000 1.050 101 K CA 1.363 57.727 56.287 0.129 0.000 0.942 101 K CB -0.269 32.310 32.500 0.132 0.000 0.724 101 K HN 0.262 nan 8.250 nan 0.000 0.446 102 S N 1.603 117.329 115.700 0.045 0.000 2.383 102 S HA -0.048 4.442 4.470 0.034 0.000 0.227 102 S C 1.816 176.422 174.600 0.010 0.000 1.026 102 S CA 0.643 58.865 58.200 0.037 0.000 0.981 102 S CB -0.144 63.094 63.200 0.063 0.000 0.818 102 S HN 0.243 nan 8.310 nan 0.000 0.472 103 L N 0.832 122.050 121.223 -0.009 0.000 1.989 103 L HA -0.159 4.201 4.340 0.034 0.000 0.211 103 L C 2.652 179.464 176.870 -0.097 0.000 1.071 103 L CA 1.633 56.456 54.840 -0.029 0.000 0.749 103 L CB -0.665 41.352 42.059 -0.068 0.000 0.890 103 L HN 0.350 nan 8.230 nan 0.000 0.431 104 S N -0.283 115.342 115.700 -0.126 0.000 2.359 104 S HA -0.261 4.229 4.470 0.034 0.000 0.223 104 S C 1.589 176.007 174.600 -0.304 0.000 1.039 104 S CA 2.049 60.108 58.200 -0.234 0.000 1.042 104 S CB -0.311 62.845 63.200 -0.074 0.000 0.915 104 S HN 0.484 nan 8.310 nan 0.000 0.439 105 D N 1.174 121.522 120.400 -0.088 0.000 2.117 105 D HA -0.021 4.640 4.640 0.034 0.000 0.197 105 D C 2.241 178.524 176.300 -0.029 0.000 0.987 105 D CA 1.351 55.346 54.000 -0.009 0.000 0.829 105 D CB -0.752 40.063 40.800 0.025 0.000 0.961 105 D HN 0.498 nan 8.370 nan 0.000 0.460 106 A N 0.365 123.160 122.820 -0.041 0.000 1.940 106 A HA -0.134 4.206 4.320 0.034 0.000 0.219 106 A C 2.370 179.927 177.584 -0.045 0.000 1.176 106 A CA 0.982 53.004 52.037 -0.025 0.000 0.631 106 A CB -0.661 18.337 19.000 -0.004 0.000 0.814 106 A HN 0.204 nan 8.150 nan 0.000 0.446 107 L N -1.941 119.214 121.223 -0.113 0.000 2.023 107 L HA -0.128 4.232 4.340 0.034 0.000 0.205 107 L C 2.515 179.326 176.870 -0.098 0.000 1.073 107 L CA 1.554 56.315 54.840 -0.133 0.000 0.745 107 L CB -0.697 41.233 42.059 -0.215 0.000 0.900 107 L HN 0.509 nan 8.230 nan 0.000 0.435 108 H N -0.810 118.210 119.070 -0.082 0.000 2.421 108 H HA -0.128 4.448 4.556 0.033 0.000 0.298 108 H C 2.227 177.489 175.328 -0.110 0.000 1.087 108 H CA 0.662 56.633 56.048 -0.128 0.000 1.330 108 H CB 0.070 29.788 29.762 -0.074 0.000 1.388 108 H HN 0.409 nan 8.280 nan 0.000 0.526 109 A N 1.039 123.889 122.820 0.050 0.000 2.067 109 A HA -0.114 4.227 4.320 0.034 0.000 0.219 109 A C 2.011 179.586 177.584 -0.014 0.000 1.158 109 A CA 1.033 53.077 52.037 0.012 0.000 0.661 109 A CB -0.102 18.904 19.000 0.010 0.000 0.801 109 A HN 0.349 nan 8.150 nan 0.000 0.452 110 R N -1.417 119.067 120.500 -0.027 0.000 2.359 110 R HA 0.268 4.628 4.340 0.034 0.000 0.231 110 R C 1.008 177.268 176.300 -0.066 0.000 0.913 110 R CA 0.454 56.532 56.100 -0.035 0.000 1.075 110 R CB 0.097 30.381 30.300 -0.027 0.000 1.087 110 R HN 0.597 nan 8.270 nan 0.000 0.515 111 G N 1.408 110.144 108.800 -0.107 0.000 2.147 111 G HA2 -0.288 3.692 3.960 0.034 0.000 0.244 111 G HA3 -0.288 3.692 3.960 0.034 0.000 0.244 111 G C 0.024 174.742 174.900 -0.303 0.000 1.005 111 G CA 0.130 45.122 45.100 -0.180 0.000 0.713 111 G HN 0.176 nan 8.290 nan 0.000 0.515 112 M N -1.059 118.359 119.600 -0.302 0.000 2.664 112 M HA 0.710 5.211 4.480 0.034 0.000 0.314 112 M C -0.341 175.701 176.300 -0.430 0.000 1.200 112 M CA -1.040 54.093 55.300 -0.279 0.000 0.916 112 M CB 1.647 34.211 32.600 -0.060 0.000 1.717 112 M HN 0.077 nan 8.290 nan 0.000 0.470 113 Y N 0.836 121.191 120.300 0.093 0.000 2.487 113 Y HA 0.645 5.215 4.550 0.035 0.000 0.337 113 Y C -0.686 175.333 175.900 0.198 0.000 1.076 113 Y CA -1.027 57.151 58.100 0.131 0.000 1.115 113 Y CB 1.264 39.651 38.460 -0.122 0.000 1.235 113 Y HN 0.429 nan 8.280 nan 0.000 0.468 114 L N 4.241 125.710 121.223 0.409 0.000 2.305 114 L HA 0.575 4.935 4.340 0.034 0.000 0.284 114 L C -0.951 176.158 176.870 0.398 0.000 1.013 114 L CA -0.820 54.197 54.840 0.296 0.000 0.819 114 L CB 1.118 43.253 42.059 0.127 0.000 1.227 114 L HN 0.770 nan 8.230 nan 0.000 0.417 115 M N 5.636 125.455 119.600 0.365 0.000 2.294 115 M HA 0.609 5.109 4.480 0.034 0.000 0.335 115 M C -1.616 174.777 176.300 0.154 0.000 1.079 115 M CA -0.650 54.791 55.300 0.235 0.000 0.982 115 M CB 1.501 34.199 32.600 0.164 0.000 1.651 115 M HN 0.437 nan 8.290 nan 0.000 0.437 116 V N 3.829 123.780 119.914 0.061 0.000 2.459 116 V HA 0.299 4.439 4.120 0.034 0.000 0.295 116 V C -0.348 175.749 176.094 0.005 0.000 1.029 116 V CA -0.822 61.526 62.300 0.080 0.000 0.874 116 V CB 1.713 33.578 31.823 0.071 0.000 0.985 116 V HN 0.739 nan 8.190 nan 0.000 0.438 117 D N 3.425 123.873 120.400 0.079 0.000 2.348 117 D HA 0.383 5.043 4.640 0.034 0.000 0.253 117 D C -0.378 175.998 176.300 0.127 0.000 1.161 117 D CA 0.245 54.273 54.000 0.048 0.000 0.876 117 D CB 1.558 42.532 40.800 0.289 0.000 1.160 117 D HN 0.496 nan 8.370 nan 0.000 0.459 118 V N 1.195 121.162 119.914 0.088 0.000 2.823 118 V HA 0.667 4.807 4.120 0.034 0.000 0.312 118 V C -0.494 175.595 176.094 -0.009 0.000 1.072 118 V CA -0.883 61.495 62.300 0.131 0.000 0.937 118 V CB 2.042 34.040 31.823 0.291 0.000 1.013 118 V HN 0.197 nan 8.190 nan 0.000 0.430 119 V N 4.243 124.079 119.914 -0.129 0.000 2.276 119 V HA 0.383 4.523 4.120 0.034 0.000 0.268 119 V C -1.726 174.021 176.094 -0.578 0.000 1.032 119 V CA -1.041 61.093 62.300 -0.277 0.000 0.810 119 V CB 0.914 32.621 31.823 -0.193 0.000 1.060 119 V HN 0.830 nan 8.190 nan 0.000 0.446 120 P HA -0.076 nan 4.420 nan 0.000 0.219 120 P C 1.265 178.246 177.300 -0.531 0.000 1.150 120 P CA 0.965 63.433 63.100 -1.054 0.000 0.814 120 P CB 0.579 31.695 31.700 -0.973 0.000 0.787 121 D N -0.545 119.622 120.400 -0.388 0.000 2.084 121 D HA -0.136 4.524 4.640 0.034 0.000 0.194 121 D C 0.938 177.173 176.300 -0.108 0.000 0.990 121 D CA 1.086 54.962 54.000 -0.207 0.000 0.826 121 D CB -0.016 40.770 40.800 -0.023 0.000 0.971 121 D HN 0.304 nan 8.370 nan 0.000 0.453 122 H N -2.954 116.064 119.070 -0.087 0.000 2.966 122 H HA 0.400 4.975 4.556 0.033 0.000 0.330 122 H C -0.679 174.642 175.328 -0.012 0.000 1.292 122 H CA -1.151 54.840 56.048 -0.094 0.000 1.127 122 H CB 0.577 30.293 29.762 -0.078 0.000 1.863 122 H HN -0.121 nan 8.280 nan 0.000 0.543 123 M N 0.673 120.311 119.600 0.064 0.000 2.706 123 M HA 0.489 4.989 4.480 0.034 0.000 0.304 123 M C 0.605 177.032 176.300 0.211 0.000 1.217 123 M CA -0.531 54.780 55.300 0.019 0.000 0.922 123 M CB 1.554 33.861 32.600 -0.490 0.000 1.637 123 M HN 0.834 nan 8.290 nan 0.000 0.492 124 G N 0.110 109.106 108.800 0.327 0.000 2.482 124 G HA2 0.647 4.627 3.960 0.034 0.000 0.317 124 G HA3 0.647 4.627 3.960 0.034 0.000 0.317 124 G C -2.385 172.695 174.900 0.300 0.000 1.241 124 G CA -0.212 45.046 45.100 0.264 0.000 0.967 124 G HN 0.595 nan 8.290 nan 0.000 0.482 125 Y N 1.088 121.371 120.300 -0.029 0.000 2.358 125 Y HA 0.508 5.078 4.550 0.033 0.000 0.324 125 Y C 0.044 175.850 175.900 -0.157 0.000 1.123 125 Y CA -0.918 57.153 58.100 -0.049 0.000 1.067 125 Y CB 1.967 40.421 38.460 -0.010 0.000 1.230 125 Y HN 0.820 nan 8.280 nan 0.000 0.429 126 A N 4.396 126.718 122.820 -0.830 0.000 2.981 126 A HA 0.629 4.969 4.320 0.034 0.000 0.280 126 A C 0.471 177.743 177.584 -0.519 0.000 1.743 126 A CA 0.973 52.667 52.037 -0.573 0.000 1.430 126 A CB -1.217 17.530 19.000 -0.422 0.000 1.085 126 A HN 1.336 nan 8.150 nan 0.000 0.597 127 G N 1.174 109.876 108.800 -0.163 0.000 2.325 127 G HA2 0.314 4.294 3.960 0.034 0.000 0.297 127 G HA3 0.314 4.294 3.960 0.034 0.000 0.297 127 G C -0.939 174.016 174.900 0.093 0.000 1.448 127 G CA -0.619 44.516 45.100 0.060 0.000 0.838 127 G HN 0.762 nan 8.290 nan 0.000 0.579 128 N N -0.041 118.665 118.700 0.010 0.000 2.467 128 N HA 0.326 5.086 4.740 0.034 0.000 0.262 128 N C 1.580 176.928 175.510 -0.270 0.000 1.234 128 N CA 0.445 53.437 53.050 -0.096 0.000 0.952 128 N CB 1.493 39.928 38.487 -0.086 0.000 1.158 128 N HN 0.994 nan 8.380 nan 0.000 0.463 129 G N 1.597 110.020 108.800 -0.628 0.000 2.517 129 G HA2 -0.348 3.632 3.960 0.034 0.000 0.222 129 G HA3 -0.348 3.632 3.960 0.034 0.000 0.222 129 G C 1.203 175.507 174.900 -0.994 0.000 1.109 129 G CA 0.935 45.313 45.100 -1.204 0.000 0.746 129 G HN 0.818 nan 8.290 nan 0.000 0.576 130 N N 0.269 118.553 118.700 -0.694 0.000 2.216 130 N HA -0.020 4.740 4.740 0.034 0.000 0.183 130 N C 0.658 176.054 175.510 -0.191 0.000 1.017 130 N CA 0.934 53.792 53.050 -0.319 0.000 0.861 130 N CB 0.141 38.526 38.487 -0.170 0.000 0.986 130 N HN 0.102 nan 8.380 nan 0.000 0.428 131 D N 0.781 121.067 120.400 -0.190 0.000 2.587 131 D HA 0.099 4.759 4.640 0.034 0.000 0.233 131 D C -0.545 175.589 176.300 -0.276 0.000 1.213 131 D CA 0.049 53.961 54.000 -0.145 0.000 0.827 131 D CB 0.414 41.176 40.800 -0.064 0.000 1.006 131 D HN -0.041 nan 8.370 nan 0.000 0.490 132 V N 1.405 121.037 119.914 -0.470 0.000 2.614 132 V HA -0.017 4.123 4.120 0.034 0.000 0.291 132 V C 0.509 176.041 176.094 -0.937 0.000 1.049 132 V CA -0.301 61.339 62.300 -1.101 0.000 1.038 132 V CB 1.486 32.683 31.823 -1.043 0.000 0.980 132 V HN 0.085 nan 8.190 nan 0.000 0.481 133 D N 3.371 123.117 120.400 -1.089 0.000 2.456 133 D HA 0.195 4.855 4.640 0.034 0.000 0.219 133 D C 0.363 176.271 176.300 -0.654 0.000 1.126 133 D CA -0.253 53.425 54.000 -0.537 0.000 0.890 133 D CB 0.491 41.151 40.800 -0.232 0.000 1.025 133 D HN 0.473 nan 8.370 nan 0.000 0.511 134 Y N 1.642 121.797 120.300 -0.241 0.000 2.639 134 Y HA -0.105 4.465 4.550 0.033 0.000 0.297 134 Y C 2.592 178.447 175.900 -0.076 0.000 1.151 134 Y CA 0.797 58.840 58.100 -0.095 0.000 1.335 134 Y CB -0.218 38.332 38.460 0.150 0.000 0.994 134 Y HN 0.459 nan 8.280 nan 0.000 0.548 135 S N -0.340 115.355 115.700 -0.008 0.000 2.447 135 S HA -0.148 4.342 4.470 0.034 0.000 0.233 135 S C 1.994 176.565 174.600 -0.049 0.000 1.006 135 S CA 1.001 59.212 58.200 0.018 0.000 0.957 135 S CB -1.186 62.022 63.200 0.013 0.000 0.773 135 S HN 0.369 nan 8.310 nan 0.000 0.507 136 V N -1.985 117.795 119.914 -0.223 0.000 2.913 136 V HA 0.255 4.396 4.120 0.034 0.000 0.260 136 V C 0.508 176.532 176.094 -0.117 0.000 1.098 136 V CA 0.119 62.288 62.300 -0.219 0.000 1.121 136 V CB -1.514 30.140 31.823 -0.281 0.000 0.714 136 V HN 0.322 nan 8.190 nan 0.000 0.487 137 F N 1.430 121.462 119.950 0.137 0.000 2.379 137 F HA 0.711 5.259 4.527 0.035 0.000 0.332 137 F C 0.072 175.928 175.800 0.094 0.000 1.096 137 F CA -1.580 56.514 58.000 0.156 0.000 1.105 137 F CB 0.913 40.084 39.000 0.285 0.000 1.189 137 F HN 0.031 nan 8.300 nan 0.000 0.515 138 D N 2.650 123.184 120.400 0.224 0.000 2.788 138 D HA 0.343 5.004 4.640 0.034 0.000 0.247 138 D C -2.220 173.906 176.300 -0.289 0.000 1.236 138 D CA -1.942 52.074 54.000 0.026 0.000 0.898 138 D CB 2.399 43.254 40.800 0.091 0.000 1.401 138 D HN 0.142 nan 8.370 nan 0.000 0.549 139 P HA 0.100 nan 4.420 nan 0.000 0.255 139 P C 0.074 177.144 177.300 -0.383 0.000 1.248 139 P CA -0.123 62.744 63.100 -0.389 0.000 0.807 139 P CB -0.057 31.402 31.700 -0.401 0.000 1.150 140 F N 2.548 122.352 119.950 -0.243 0.000 2.665 140 F HA 0.039 4.587 4.527 0.035 0.000 0.360 140 F C 1.165 177.195 175.800 0.385 0.000 1.168 140 F CA -0.580 57.249 58.000 -0.285 0.000 1.366 140 F CB -1.201 37.537 39.000 -0.437 0.000 1.592 140 F HN -0.014 nan 8.300 nan 0.000 0.610 141 D N -1.287 119.403 120.400 0.482 0.000 2.504 141 D HA 0.002 4.662 4.640 0.034 0.000 0.243 141 D C 0.235 176.809 176.300 0.456 0.000 1.203 141 D CA 0.152 54.440 54.000 0.479 0.000 0.847 141 D CB 0.141 41.111 40.800 0.283 0.000 0.973 141 D HN 0.183 nan 8.370 nan 0.000 0.490 142 S N -0.526 115.494 115.700 0.534 0.000 2.575 142 S HA 0.304 4.794 4.470 0.034 0.000 0.278 142 S C 0.908 175.527 174.600 0.032 0.000 1.139 142 S CA -0.276 58.054 58.200 0.217 0.000 0.954 142 S CB 1.530 64.778 63.200 0.080 0.000 1.054 142 S HN 0.139 nan 8.310 nan 0.000 0.483 143 S N 3.248 118.664 115.700 -0.472 0.000 2.500 143 S HA -0.074 4.417 4.470 0.034 0.000 0.239 143 S C 1.656 176.197 174.600 -0.097 0.000 0.989 143 S CA 1.453 59.214 58.200 -0.732 0.000 0.951 143 S CB -0.427 62.356 63.200 -0.696 0.000 0.759 143 S HN 0.570 nan 8.310 nan 0.000 0.523 144 S N 0.763 116.393 115.700 -0.116 0.000 2.419 144 S HA -0.023 4.467 4.470 0.034 0.000 0.235 144 S C 1.041 175.500 174.600 -0.235 0.000 1.019 144 S CA 1.145 59.234 58.200 -0.185 0.000 0.982 144 S CB -0.488 62.509 63.200 -0.339 0.000 0.789 144 S HN 0.764 nan 8.310 nan 0.000 0.490 145 Y N -0.234 119.990 120.300 -0.126 0.000 2.546 145 Y HA 0.293 4.863 4.550 0.033 0.000 0.287 145 Y C 0.309 175.820 175.900 -0.649 0.000 1.158 145 Y CA -0.263 57.590 58.100 -0.411 0.000 1.307 145 Y CB -0.104 37.962 38.460 -0.656 0.000 1.036 145 Y HN 0.118 nan 8.280 nan 0.000 0.532 146 F N -1.597 118.305 119.950 -0.080 0.000 2.497 146 F HA 0.384 4.931 4.527 0.033 0.000 0.331 146 F C 0.370 176.188 175.800 0.030 0.000 1.060 146 F CA -1.389 56.552 58.000 -0.097 0.000 0.989 146 F CB 0.643 39.666 39.000 0.038 0.000 1.245 146 F HN -0.158 nan 8.300 nan 0.000 0.486 147 H N 1.126 120.414 119.070 0.364 0.000 2.511 147 H HA 0.231 4.807 4.556 0.034 0.000 0.346 147 H C -2.099 173.564 175.328 0.558 0.000 1.128 147 H CA -1.828 54.431 56.048 0.352 0.000 1.342 147 H CB 0.706 30.672 29.762 0.341 0.000 1.470 147 H HN 0.205 nan 8.280 nan 0.000 0.546 148 P HA -0.165 nan 4.420 nan 0.000 0.264 148 P C -0.720 176.605 177.300 0.043 0.000 1.183 148 P CA 0.306 63.543 63.100 0.228 0.000 0.763 148 P CB 0.135 31.889 31.700 0.090 0.000 0.807 149 Y N 5.059 125.120 120.300 -0.398 0.000 2.721 149 Y HA 0.177 4.748 4.550 0.035 0.000 0.329 149 Y C 0.265 175.730 175.900 -0.724 0.000 1.211 149 Y CA -0.051 57.336 58.100 -1.188 0.000 1.512 149 Y CB -0.244 37.545 38.460 -1.119 0.000 1.249 149 Y HN 0.655 nan 8.280 nan 0.000 0.549 150 c N 6.290 124.110 118.600 -1.301 0.000 3.241 150 c HA 0.607 5.197 4.570 0.034 0.000 0.348 150 c C -1.073 172.599 174.090 -0.697 0.000 1.180 150 c CA -1.786 53.990 56.329 -0.921 0.000 1.273 150 c CB 0.276 42.506 42.510 -0.467 0.000 1.620 150 c HN 0.922 nan 8.230 nan 0.000 0.510 151 L N 1.666 122.573 121.223 -0.527 0.000 2.399 151 L HA 0.536 4.896 4.340 0.034 0.000 0.265 151 L C -0.091 176.663 176.870 -0.194 0.000 1.089 151 L CA -0.683 54.024 54.840 -0.221 0.000 0.802 151 L CB 1.336 43.302 42.059 -0.154 0.000 1.180 151 L HN 0.694 nan 8.230 nan 0.000 0.454 152 I N 1.358 121.828 120.570 -0.166 0.000 2.308 152 I HA 0.017 4.207 4.170 0.034 0.000 0.293 152 I C 1.139 177.060 176.117 -0.328 0.000 1.078 152 I CA 0.241 61.313 61.300 -0.380 0.000 1.292 152 I CB 1.293 38.837 38.000 -0.760 0.000 1.423 152 I HN 0.637 nan 8.210 nan 0.000 0.493 153 T N 2.837 117.216 114.554 -0.291 0.000 2.976 153 T HA -0.041 4.329 4.350 0.034 0.000 0.257 153 T C 0.389 175.006 174.700 -0.138 0.000 1.051 153 T CA 0.853 62.853 62.100 -0.166 0.000 1.141 153 T CB 0.023 68.809 68.868 -0.137 0.000 0.881 153 T HN 0.567 nan 8.240 nan 0.000 0.461 154 D N -0.291 119.971 120.400 -0.230 0.000 2.420 154 D HA 0.191 4.851 4.640 0.034 0.000 0.255 154 D C -0.301 175.868 176.300 -0.220 0.000 1.185 154 D CA -0.732 53.189 54.000 -0.133 0.000 0.904 154 D CB 0.201 40.949 40.800 -0.088 0.000 1.102 154 D HN 0.218 nan 8.370 nan 0.000 0.534 155 W N 1.970 123.260 121.300 -0.017 0.000 2.721 155 W HA 0.038 4.715 4.660 0.029 0.000 0.245 155 W C 1.200 177.713 176.519 -0.010 0.000 1.276 155 W CA -0.008 57.329 57.345 -0.014 0.000 1.342 155 W CB 0.376 29.825 29.460 -0.018 0.000 1.135 155 W HN 0.385 nan 8.180 nan 0.000 0.654 156 D N -0.977 119.506 120.400 0.138 0.000 2.333 156 D HA -0.072 4.588 4.640 0.034 0.000 0.208 156 D C 0.155 176.482 176.300 0.044 0.000 0.984 156 D CA 0.661 54.716 54.000 0.091 0.000 0.873 156 D CB -0.410 40.428 40.800 0.062 0.000 0.935 156 D HN 0.273 nan 8.370 nan 0.000 0.521 157 N N 1.436 120.136 118.700 0.000 0.000 2.555 157 N HA -0.001 4.759 4.740 0.034 0.000 0.244 157 N C 0.979 176.463 175.510 -0.043 0.000 1.114 157 N CA -0.386 52.642 53.050 -0.036 0.000 0.963 157 N CB 0.334 38.775 38.487 -0.076 0.000 1.276 157 N HN -0.185 nan 8.380 nan 0.000 0.510 158 L N 2.982 124.205 121.223 0.000 0.000 2.187 158 L HA -0.126 4.234 4.340 0.034 0.000 0.213 158 L C 2.091 178.953 176.870 -0.012 0.000 1.100 158 L CA 1.697 56.547 54.840 0.017 0.000 0.765 158 L CB -0.702 41.390 42.059 0.054 0.000 0.904 158 L HN 0.573 nan 8.230 nan 0.000 0.437 159 T N -1.335 113.198 114.554 -0.035 0.000 2.821 159 T HA -0.213 4.157 4.350 0.034 0.000 0.267 159 T C 1.889 176.529 174.700 -0.099 0.000 1.046 159 T CA 1.510 63.578 62.100 -0.053 0.000 1.139 159 T CB -0.125 68.707 68.868 -0.060 0.000 0.871 159 T HN 0.314 nan 8.240 nan 0.000 0.454 160 M N 0.841 120.366 119.600 -0.124 0.000 2.159 160 M HA -0.088 4.413 4.480 0.034 0.000 0.263 160 M C 2.114 178.282 176.300 -0.220 0.000 1.063 160 M CA 1.378 56.570 55.300 -0.180 0.000 1.110 160 M CB -0.230 32.245 32.600 -0.210 0.000 1.374 160 M HN 0.073 nan 8.290 nan 0.000 0.411 161 V N 0.662 120.444 119.914 -0.220 0.000 2.407 161 V HA -0.269 3.871 4.120 0.034 0.000 0.248 161 V C 1.872 177.909 176.094 -0.095 0.000 1.055 161 V CA 2.078 64.234 62.300 -0.241 0.000 1.049 161 V CB -0.689 31.048 31.823 -0.143 0.000 0.662 161 V HN 0.543 nan 8.190 nan 0.000 0.455 162 E N -0.749 119.425 120.200 -0.044 0.000 2.190 162 E HA -0.104 4.266 4.350 0.034 0.000 0.191 162 E C 1.521 178.114 176.600 -0.012 0.000 0.978 162 E CA 0.966 57.373 56.400 0.012 0.000 0.839 162 E CB 0.056 29.778 29.700 0.037 0.000 0.787 162 E HN 0.529 nan 8.360 nan 0.000 0.473 163 D N -0.869 119.452 120.400 -0.131 0.000 2.392 163 D HA 0.077 4.738 4.640 0.034 0.000 0.206 163 D C 0.126 176.341 176.300 -0.143 0.000 1.046 163 D CA 0.140 53.935 54.000 -0.342 0.000 0.865 163 D CB 0.324 40.905 40.800 -0.366 0.000 0.969 163 D HN 0.054 nan 8.370 nan 0.000 0.509 164 c N 0.450 119.027 118.600 -0.038 0.000 2.352 164 c HA 0.412 5.002 4.570 0.034 0.000 0.387 164 c C -0.306 173.954 174.090 0.284 0.000 1.294 164 c CA -0.802 55.566 56.329 0.064 0.000 2.137 164 c CB 0.376 42.813 42.510 -0.122 0.000 2.146 164 c HN 0.229 nan 8.230 nan 0.000 0.559 165 W N 1.502 122.769 121.300 -0.055 0.000 2.469 165 W HA 0.492 5.171 4.660 0.032 0.000 0.320 165 W C 0.318 176.830 176.519 -0.011 0.000 1.086 165 W CA -0.787 56.573 57.345 0.025 0.000 1.211 165 W CB -0.226 29.315 29.460 0.135 0.000 1.298 165 W HN 0.637 nan 8.180 nan 0.000 0.525 166 E N 0.809 121.110 120.200 0.168 0.000 2.391 166 E HA 0.431 4.801 4.350 0.034 0.000 0.255 166 E C 0.679 177.349 176.600 0.116 0.000 1.187 166 E CA 0.814 57.269 56.400 0.092 0.000 0.941 166 E CB 0.621 30.271 29.700 -0.084 0.000 1.010 166 E HN 0.619 nan 8.360 nan 0.000 0.458 167 G N 1.067 109.925 108.800 0.097 0.000 2.582 167 G HA2 -0.150 3.831 3.960 0.034 0.000 0.222 167 G HA3 -0.150 3.831 3.960 0.034 0.000 0.222 167 G C -0.926 174.050 174.900 0.127 0.000 1.311 167 G CA -0.070 45.086 45.100 0.093 0.000 0.915 167 G HN 0.674 nan 8.290 nan 0.000 0.528 168 D N -3.589 116.874 120.400 0.105 0.000 3.096 168 D HA 0.657 5.318 4.640 0.034 0.000 0.277 168 D C 0.974 177.339 176.300 0.108 0.000 1.256 168 D CA 0.579 54.642 54.000 0.104 0.000 1.044 168 D CB 0.235 41.081 40.800 0.076 0.000 1.318 168 D HN 0.621 nan 8.370 nan 0.000 0.622 169 T N -1.304 113.296 114.554 0.077 0.000 3.081 169 T HA 0.266 4.637 4.350 0.034 0.000 0.250 169 T C 1.450 176.156 174.700 0.011 0.000 1.100 169 T CA 0.220 62.352 62.100 0.052 0.000 1.038 169 T CB -0.344 68.558 68.868 0.057 0.000 0.962 169 T HN 0.309 nan 8.240 nan 0.000 0.516 170 I N -0.052 120.513 120.570 -0.008 0.000 2.556 170 I HA 0.146 4.337 4.170 0.034 0.000 0.251 170 I C 0.157 176.203 176.117 -0.119 0.000 1.105 170 I CA 0.530 61.802 61.300 -0.045 0.000 1.436 170 I CB 0.504 38.491 38.000 -0.021 0.000 1.139 170 I HN -0.100 nan 8.210 nan 0.000 0.438 171 V N 2.063 121.874 119.914 -0.173 0.000 2.349 171 V HA 0.275 4.416 4.120 0.034 0.000 0.284 171 V C -0.156 175.821 176.094 -0.195 0.000 1.014 171 V CA -0.697 61.394 62.300 -0.348 0.000 0.826 171 V CB 1.162 32.498 31.823 -0.811 0.000 1.009 171 V HN 0.301 nan 8.190 nan 0.000 0.431 172 S N 5.634 121.306 115.700 -0.046 0.000 2.616 172 S HA 0.740 5.230 4.470 0.034 0.000 0.277 172 S C -0.416 174.217 174.600 0.055 0.000 1.234 172 S CA -0.741 57.536 58.200 0.129 0.000 1.028 172 S CB 1.426 64.806 63.200 0.301 0.000 0.988 172 S HN 0.505 nan 8.310 nan 0.000 0.522 173 L N 1.789 123.046 121.223 0.057 0.000 2.426 173 L HA 0.372 4.732 4.340 0.034 0.000 0.255 173 L C -2.577 174.045 176.870 -0.412 0.000 1.080 173 L CA -2.206 52.569 54.840 -0.109 0.000 0.960 173 L CB 0.507 42.411 42.059 -0.259 0.000 1.326 173 L HN 0.411 nan 8.230 nan 0.000 0.441 174 P HA -0.098 nan 4.420 nan 0.000 0.255 174 P C -0.461 176.406 177.300 -0.721 0.000 1.173 174 P CA 0.289 62.545 63.100 -1.408 0.000 0.780 174 P CB 0.295 31.359 31.700 -1.061 0.000 0.758 175 D N 3.480 123.232 120.400 -1.080 0.000 2.336 175 D HA 0.180 4.840 4.640 0.034 0.000 0.249 175 D C 0.007 176.209 176.300 -0.164 0.000 1.213 175 D CA -0.138 53.629 54.000 -0.389 0.000 0.870 175 D CB 0.112 40.774 40.800 -0.230 0.000 1.076 175 D HN 0.175 nan 8.370 nan 0.000 0.483 176 L N 2.863 123.889 121.223 -0.329 0.000 2.452 176 L HA 0.153 4.513 4.340 0.034 0.000 0.267 176 L C 0.721 177.142 176.870 -0.748 0.000 1.188 176 L CA -0.096 54.344 54.840 -0.668 0.000 0.821 176 L CB 0.587 42.184 42.059 -0.772 0.000 1.102 176 L HN 0.410 nan 8.230 nan 0.000 0.470 177 D N 0.629 120.551 120.400 -0.796 0.000 2.483 177 D HA 0.031 4.691 4.640 0.034 0.000 0.220 177 D C 1.089 177.152 176.300 -0.394 0.000 1.173 177 D CA -0.145 53.395 54.000 -0.767 0.000 0.964 177 D CB 0.665 41.195 40.800 -0.450 0.000 1.046 177 D HN 0.607 nan 8.370 nan 0.000 0.517 178 T N -1.002 113.354 114.554 -0.331 0.000 3.113 178 T HA -0.116 4.254 4.350 0.034 0.000 0.263 178 T C 1.605 176.298 174.700 -0.013 0.000 1.143 178 T CA 0.921 62.904 62.100 -0.196 0.000 1.090 178 T CB -0.270 68.319 68.868 -0.465 0.000 0.922 178 T HN 0.302 nan 8.240 nan 0.000 0.521 179 T N -0.141 114.408 114.554 -0.008 0.000 3.023 179 T HA 0.102 4.472 4.350 0.034 0.000 0.266 179 T C 0.653 175.365 174.700 0.019 0.000 1.093 179 T CA 0.063 62.188 62.100 0.041 0.000 1.129 179 T CB -0.280 68.622 68.868 0.057 0.000 0.899 179 T HN 0.497 nan 8.240 nan 0.000 0.491 180 E N 1.503 121.692 120.200 -0.018 0.000 2.376 180 E HA 0.139 4.509 4.350 0.034 0.000 0.266 180 E C 0.666 177.259 176.600 -0.012 0.000 1.009 180 E CA -0.216 56.170 56.400 -0.023 0.000 0.902 180 E CB 0.832 30.504 29.700 -0.047 0.000 0.972 180 E HN 0.093 nan 8.360 nan 0.000 0.439 181 T N 2.704 117.254 114.554 -0.007 0.000 2.759 181 T HA -0.220 4.150 4.350 0.034 0.000 0.269 181 T C 1.687 176.381 174.700 -0.010 0.000 1.042 181 T CA 1.525 63.618 62.100 -0.012 0.000 1.140 181 T CB 0.018 68.886 68.868 0.001 0.000 0.864 181 T HN 0.599 nan 8.240 nan 0.000 0.455 182 A N 0.780 123.614 122.820 0.023 0.000 1.898 182 A HA -0.007 4.334 4.320 0.034 0.000 0.216 182 A C 2.587 180.219 177.584 0.081 0.000 1.181 182 A CA 1.579 53.662 52.037 0.076 0.000 0.620 182 A CB -0.922 18.162 19.000 0.140 0.000 0.819 182 A HN 0.440 nan 8.150 nan 0.000 0.442 183 V N -0.334 119.615 119.914 0.059 0.000 2.548 183 V HA -0.142 3.999 4.120 0.034 0.000 0.249 183 V C 2.180 178.276 176.094 0.002 0.000 1.055 183 V CA 1.913 64.206 62.300 -0.011 0.000 1.065 183 V CB -0.742 30.965 31.823 -0.193 0.000 0.681 183 V HN 0.551 nan 8.190 nan 0.000 0.462 184 R N -0.012 120.447 120.500 -0.069 0.000 2.075 184 R HA -0.085 4.275 4.340 0.034 0.000 0.232 184 R C 2.400 178.369 176.300 -0.551 0.000 1.126 184 R CA 1.879 57.723 56.100 -0.427 0.000 0.963 184 R CB -0.976 29.019 30.300 -0.508 0.000 0.858 184 R HN 0.558 nan 8.270 nan 0.000 0.435 185 T N 1.770 116.200 114.554 -0.207 0.000 2.674 185 T HA -0.113 4.258 4.350 0.034 0.000 0.265 185 T C 1.993 176.732 174.700 0.065 0.000 1.039 185 T CA 1.335 63.407 62.100 -0.047 0.000 1.150 185 T CB -0.206 68.671 68.868 0.014 0.000 0.864 185 T HN 0.122 nan 8.240 nan 0.000 0.427 186 I N -0.634 119.963 120.570 0.046 0.000 2.127 186 I HA -0.216 3.975 4.170 0.034 0.000 0.241 186 I C 2.322 178.604 176.117 0.275 0.000 1.075 186 I CA 1.627 62.963 61.300 0.060 0.000 1.334 186 I CB -0.376 37.523 38.000 -0.170 0.000 1.040 186 I HN 0.365 nan 8.210 nan 0.000 0.405 187 W N -0.479 120.961 121.300 0.233 0.000 2.381 187 W HA -0.216 4.465 4.660 0.036 0.000 0.301 187 W C 2.595 179.423 176.519 0.516 0.000 1.205 187 W CA 0.123 57.719 57.345 0.419 0.000 1.285 187 W CB -0.279 29.509 29.460 0.546 0.000 1.133 187 W HN 0.089 nan 8.180 nan 0.000 0.521 188 Y N 0.439 120.979 120.300 0.400 0.000 2.242 188 Y HA -0.197 4.373 4.550 0.033 0.000 0.291 188 Y C 2.129 178.124 175.900 0.158 0.000 1.137 188 Y CA 0.553 58.750 58.100 0.162 0.000 1.181 188 Y CB -1.494 37.008 38.460 0.071 0.000 0.989 188 Y HN -0.014 nan 8.280 nan 0.000 0.527 189 D N -1.104 119.513 120.400 0.362 0.000 2.097 189 D HA -0.217 4.444 4.640 0.034 0.000 0.195 189 D C 2.024 178.507 176.300 0.304 0.000 0.989 189 D CA 1.130 55.286 54.000 0.260 0.000 0.827 189 D CB -0.834 40.104 40.800 0.230 0.000 0.966 189 D HN 0.433 nan 8.370 nan 0.000 0.456 190 W N 1.729 123.198 121.300 0.282 0.000 2.317 190 W HA -0.254 4.426 4.660 0.033 0.000 0.318 190 W C 2.296 178.957 176.519 0.237 0.000 1.227 190 W CA 1.662 59.210 57.345 0.339 0.000 1.269 190 W CB -0.591 29.162 29.460 0.488 0.000 1.155 190 W HN -0.169 nan 8.180 nan 0.000 0.484 191 V N 1.206 121.299 119.914 0.299 0.000 2.515 191 V HA -0.173 3.967 4.120 0.034 0.000 0.250 191 V C 2.277 178.254 176.094 -0.194 0.000 1.058 191 V CA 2.246 64.473 62.300 -0.122 0.000 1.064 191 V CB -1.055 30.622 31.823 -0.243 0.000 0.675 191 V HN 0.310 nan 8.190 nan 0.000 0.461 192 A N -0.432 122.333 122.820 -0.091 0.000 1.902 192 A HA -0.208 4.133 4.320 0.034 0.000 0.217 192 A C 1.925 179.448 177.584 -0.103 0.000 1.181 192 A CA 1.959 53.946 52.037 -0.083 0.000 0.623 192 A CB -0.577 18.405 19.000 -0.030 0.000 0.818 192 A HN 0.600 nan 8.150 nan 0.000 0.443 193 D N -0.514 119.817 120.400 -0.114 0.000 2.183 193 D HA -0.074 4.586 4.640 0.034 0.000 0.203 193 D C 1.879 178.047 176.300 -0.220 0.000 0.969 193 D CA 1.066 54.982 54.000 -0.139 0.000 0.842 193 D CB -0.356 40.387 40.800 -0.095 0.000 0.957 193 D HN 0.410 nan 8.370 nan 0.000 0.484 194 L N 0.544 121.547 121.223 -0.366 0.000 2.017 194 L HA -0.159 4.202 4.340 0.034 0.000 0.208 194 L C 2.157 178.956 176.870 -0.118 0.000 1.073 194 L CA 1.354 55.993 54.840 -0.336 0.000 0.745 194 L CB -0.346 41.283 42.059 -0.716 0.000 0.894 194 L HN -0.153 nan 8.230 nan 0.000 0.432 195 V N -0.424 119.411 119.914 -0.132 0.000 2.407 195 V HA -0.261 3.879 4.120 0.034 0.000 0.248 195 V C 2.844 178.919 176.094 -0.030 0.000 1.055 195 V CA 1.848 64.123 62.300 -0.043 0.000 1.049 195 V CB -0.548 31.248 31.823 -0.045 0.000 0.662 195 V HN 0.770 nan 8.190 nan 0.000 0.455 196 S N 0.570 116.225 115.700 -0.075 0.000 2.387 196 S HA -0.156 4.334 4.470 0.034 0.000 0.226 196 S C 1.774 176.296 174.600 -0.130 0.000 1.026 196 S CA 1.503 59.656 58.200 -0.079 0.000 0.972 196 S CB -0.383 62.771 63.200 -0.076 0.000 0.814 196 S HN 0.643 nan 8.310 nan 0.000 0.477 197 N N 0.428 118.989 118.700 -0.232 0.000 2.250 197 N HA 0.051 4.812 4.740 0.034 0.000 0.181 197 N C 0.573 175.772 175.510 -0.519 0.000 1.017 197 N CA 1.147 53.932 53.050 -0.442 0.000 0.866 197 N CB -0.447 37.579 38.487 -0.768 0.000 0.985 197 N HN 0.582 nan 8.380 nan 0.000 0.429 198 Y N 0.295 120.563 120.300 -0.054 0.000 2.467 198 Y HA 0.301 4.871 4.550 0.034 0.000 0.250 198 Y C 0.421 176.324 175.900 0.005 0.000 1.155 198 Y CA -0.525 57.546 58.100 -0.049 0.000 1.249 198 Y CB 0.068 38.471 38.460 -0.095 0.000 1.146 198 Y HN -0.215 nan 8.280 nan 0.000 0.524 199 S N 0.248 116.029 115.700 0.135 0.000 3.628 199 S HA -0.137 4.353 4.470 0.034 0.000 0.373 199 S C 0.151 174.898 174.600 0.245 0.000 0.968 199 S CA 0.148 58.449 58.200 0.168 0.000 1.215 199 S CB -1.983 61.370 63.200 0.255 0.000 0.912 199 S HN 0.160 nan 8.310 nan 0.000 0.495 200 V N 1.606 121.631 119.914 0.186 0.000 2.843 200 V HA 0.046 4.186 4.120 0.034 0.000 0.305 200 V C 1.452 177.702 176.094 0.259 0.000 1.065 200 V CA 0.260 62.683 62.300 0.205 0.000 1.116 200 V CB 0.861 32.759 31.823 0.125 0.000 0.968 200 V HN 0.533 nan 8.190 nan 0.000 0.487 201 D N 1.803 122.428 120.400 0.374 0.000 2.392 201 D HA 0.251 4.911 4.640 0.034 0.000 0.206 201 D C 0.619 177.296 176.300 0.627 0.000 1.046 201 D CA 0.970 55.250 54.000 0.467 0.000 0.865 201 D CB 1.302 42.427 40.800 0.542 0.000 0.969 201 D HN 0.729 nan 8.370 nan 0.000 0.509 202 G N 0.234 109.293 108.800 0.432 0.000 2.601 202 G HA2 0.549 4.529 3.960 0.034 0.000 0.291 202 G HA3 0.549 4.529 3.960 0.034 0.000 0.291 202 G C -1.825 173.020 174.900 -0.092 0.000 1.456 202 G CA -0.671 44.488 45.100 0.099 0.000 0.804 202 G HN -0.014 nan 8.290 nan 0.000 0.499 203 L N 0.553 121.619 121.223 -0.261 0.000 2.370 203 L HA 0.690 5.050 4.340 0.034 0.000 0.266 203 L C -0.066 176.525 176.870 -0.466 0.000 1.002 203 L CA -1.131 53.557 54.840 -0.253 0.000 0.818 203 L CB 2.465 44.462 42.059 -0.104 0.000 1.325 203 L HN 0.431 nan 8.230 nan 0.000 0.418 204 R N 3.466 123.649 120.500 -0.527 0.000 2.343 204 R HA 0.548 4.908 4.340 0.034 0.000 0.320 204 R C -1.308 174.714 176.300 -0.464 0.000 0.956 204 R CA -0.490 55.150 56.100 -0.766 0.000 0.836 204 R CB 0.962 30.357 30.300 -1.509 0.000 1.151 204 R HN 0.616 nan 8.270 nan 0.000 0.450 205 I N 3.534 123.863 120.570 -0.401 0.000 2.307 205 I HA 0.146 4.336 4.170 0.034 0.000 0.289 205 I C 0.282 176.249 176.117 -0.249 0.000 1.021 205 I CA -0.808 60.332 61.300 -0.266 0.000 1.224 205 I CB 1.352 39.195 38.000 -0.261 0.000 1.376 205 I HN 0.469 nan 8.210 nan 0.000 0.470 206 D N 3.957 124.269 120.400 -0.145 0.000 2.399 206 D HA 0.073 4.733 4.640 0.034 0.000 0.241 206 D C 0.401 176.626 176.300 -0.125 0.000 1.133 206 D CA 0.724 54.658 54.000 -0.110 0.000 0.890 206 D CB 0.689 41.476 40.800 -0.021 0.000 1.201 206 D HN 0.575 nan 8.370 nan 0.000 0.432 207 S N 0.832 116.465 115.700 -0.111 0.000 3.628 207 S HA -0.152 4.338 4.470 0.034 0.000 0.373 207 S C 1.208 175.759 174.600 -0.082 0.000 0.968 207 S CA 0.260 58.425 58.200 -0.060 0.000 1.215 207 S CB -1.247 61.980 63.200 0.045 0.000 0.912 207 S HN 0.409 nan 8.310 nan 0.000 0.495 208 V N 0.032 119.823 119.914 -0.206 0.000 2.453 208 V HA -0.124 4.016 4.120 0.034 0.000 0.247 208 V C 2.135 178.091 176.094 -0.230 0.000 1.048 208 V CA 1.935 64.049 62.300 -0.310 0.000 1.049 208 V CB -0.328 31.100 31.823 -0.658 0.000 0.672 208 V HN 0.655 nan 8.190 nan 0.000 0.457 209 L N 0.367 121.448 121.223 -0.237 0.000 2.187 209 L HA -0.152 4.208 4.340 0.034 0.000 0.213 209 L C 2.011 178.933 176.870 0.087 0.000 1.100 209 L CA 1.834 56.625 54.840 -0.081 0.000 0.765 209 L CB -0.434 41.616 42.059 -0.015 0.000 0.904 209 L HN 0.313 nan 8.230 nan 0.000 0.437 210 E N -1.460 118.783 120.200 0.071 0.000 2.489 210 E HA 0.136 4.506 4.350 0.034 0.000 0.193 210 E C -0.401 176.244 176.600 0.075 0.000 1.057 210 E CA 0.044 56.496 56.400 0.086 0.000 0.866 210 E CB 0.256 30.010 29.700 0.089 0.000 0.916 210 E HN 0.201 nan 8.360 nan 0.000 0.500 211 V N 2.203 122.189 119.914 0.121 0.000 2.735 211 V HA 0.152 4.292 4.120 0.034 0.000 0.310 211 V C -0.158 176.071 176.094 0.226 0.000 1.061 211 V CA -1.325 61.020 62.300 0.076 0.000 0.913 211 V CB 1.926 33.674 31.823 -0.125 0.000 1.005 211 V HN 0.105 nan 8.190 nan 0.000 0.428 212 Q N 5.983 125.856 119.800 0.123 0.000 2.330 212 Q HA 0.113 4.473 4.340 0.034 0.000 0.279 212 Q C -2.123 174.041 176.000 0.273 0.000 1.024 212 Q CA -0.941 54.967 55.803 0.174 0.000 0.900 212 Q CB 0.837 29.643 28.738 0.114 0.000 1.221 212 Q HN 0.431 nan 8.270 nan 0.000 0.396 213 P HA -0.184 nan 4.420 nan 0.000 0.218 213 P C 0.472 177.972 177.300 0.333 0.000 1.148 213 P CA 1.513 64.871 63.100 0.430 0.000 0.822 213 P CB 0.031 31.852 31.700 0.203 0.000 0.784 214 D N -1.088 119.434 120.400 0.204 0.000 2.310 214 D HA -0.171 4.489 4.640 0.034 0.000 0.212 214 D C 1.803 178.201 176.300 0.163 0.000 0.965 214 D CA 0.416 54.511 54.000 0.158 0.000 0.879 214 D CB -1.021 39.848 40.800 0.116 0.000 0.921 214 D HN 0.191 nan 8.370 nan 0.000 0.510 215 F N 1.202 121.109 119.950 -0.072 0.000 2.171 215 F HA -0.125 4.421 4.527 0.032 0.000 0.300 215 F C 1.724 177.433 175.800 -0.151 0.000 1.090 215 F CA 1.038 58.920 58.000 -0.196 0.000 1.293 215 F CB -0.182 38.463 39.000 -0.591 0.000 1.013 215 F HN -0.258 nan 8.300 nan 0.000 0.486 216 F N 0.802 120.876 119.950 0.207 0.000 2.102 216 F HA -0.043 4.505 4.527 0.036 0.000 0.298 216 F C -0.367 175.423 175.800 -0.017 0.000 1.105 216 F CA 1.044 59.099 58.000 0.092 0.000 1.239 216 F CB -2.544 36.542 39.000 0.143 0.000 0.991 216 F HN 0.004 nan 8.300 nan 0.000 0.474 217 P HA -0.130 nan 4.420 nan 0.000 0.216 217 P C 1.831 179.058 177.300 -0.123 0.000 1.153 217 P CA 2.101 65.217 63.100 0.026 0.000 0.858 217 P CB -0.373 31.351 31.700 0.041 0.000 0.789 218 G N -2.401 106.227 108.800 -0.287 0.000 2.511 218 G HA2 -0.238 3.742 3.960 0.034 0.000 0.217 218 G HA3 -0.238 3.742 3.960 0.034 0.000 0.217 218 G C 1.479 175.707 174.900 -1.121 0.000 1.133 218 G CA 0.190 44.920 45.100 -0.615 0.000 0.792 218 G HN 0.227 nan 8.290 nan 0.000 0.539 219 Y N 1.022 120.670 120.300 -1.088 0.000 2.176 219 Y HA 0.010 4.581 4.550 0.035 0.000 0.291 219 Y C 2.607 178.335 175.900 -0.287 0.000 1.122 219 Y CA 1.744 59.424 58.100 -0.701 0.000 1.128 219 Y CB -0.350 37.913 38.460 -0.328 0.000 1.005 219 Y HN 0.206 nan 8.280 nan 0.000 0.509 220 N N -0.235 118.478 118.700 0.022 0.000 2.036 220 N HA -0.224 4.536 4.740 0.034 0.000 0.195 220 N C 1.607 177.056 175.510 -0.102 0.000 1.037 220 N CA 1.567 54.619 53.050 0.003 0.000 0.855 220 N CB 0.027 38.527 38.487 0.023 0.000 1.033 220 N HN 0.243 nan 8.380 nan 0.000 0.423 221 K N 0.723 121.035 120.400 -0.147 0.000 2.097 221 K HA -0.036 4.304 4.320 0.034 0.000 0.205 221 K C 1.883 178.386 176.600 -0.162 0.000 1.050 221 K CA 0.846 57.050 56.287 -0.138 0.000 0.938 221 K CB -0.466 31.956 32.500 -0.129 0.000 0.718 221 K HN 0.222 nan 8.250 nan 0.000 0.442 222 A N 1.711 124.381 122.820 -0.251 0.000 1.968 222 A HA -0.122 4.218 4.320 0.034 0.000 0.217 222 A C 2.322 179.801 177.584 -0.175 0.000 1.169 222 A CA 1.972 53.889 52.037 -0.200 0.000 0.638 222 A CB -0.444 18.396 19.000 -0.266 0.000 0.812 222 A HN 0.425 nan 8.150 nan 0.000 0.446 223 S N -1.854 113.715 115.700 -0.219 0.000 2.425 223 S HA 0.326 4.816 4.470 0.034 0.000 0.225 223 S C 1.574 176.124 174.600 -0.085 0.000 1.024 223 S CA 1.128 59.226 58.200 -0.170 0.000 0.951 223 S CB -0.551 62.526 63.200 -0.205 0.000 0.796 223 S HN 1.893 nan 8.310 nan 0.000 0.498 224 G N 0.751 109.512 108.800 -0.065 0.000 2.160 224 G HA2 -0.185 3.795 3.960 0.034 0.000 0.251 224 G HA3 -0.185 3.795 3.960 0.034 0.000 0.251 224 G C 0.118 175.032 174.900 0.023 0.000 1.008 224 G CA 0.602 45.690 45.100 -0.020 0.000 0.724 224 G HN 1.735 nan 8.290 nan 0.000 0.514 225 V N -4.277 115.659 119.914 0.037 0.000 3.188 225 V HA 0.793 4.933 4.120 0.034 0.000 0.305 225 V C 0.231 176.386 176.094 0.102 0.000 1.232 225 V CA -1.936 60.434 62.300 0.116 0.000 1.043 225 V CB 1.484 33.395 31.823 0.146 0.000 1.068 225 V HN 1.118 nan 8.190 nan 0.000 0.439 226 Y N 1.223 121.526 120.300 0.004 0.000 2.805 226 Y HA 0.405 4.974 4.550 0.032 0.000 0.337 226 Y C 0.048 175.799 175.900 -0.249 0.000 1.252 226 Y CA 0.088 58.098 58.100 -0.150 0.000 1.515 226 Y CB 0.272 38.515 38.460 -0.362 0.000 1.305 226 Y HN 0.928 nan 8.280 nan 0.000 0.600 227 C N 6.902 125.758 119.300 -0.739 0.000 2.396 227 C HA 0.529 5.009 4.460 0.034 0.000 0.321 227 C C -0.522 173.855 174.990 -1.021 0.000 1.233 227 C CA -1.366 57.238 59.018 -0.690 0.000 1.440 227 C CB 0.599 28.166 27.740 -0.289 0.000 2.110 227 C HN 0.722 nan 8.230 nan 0.000 0.473 228 V N 4.260 123.588 119.914 -0.977 0.000 2.378 228 V HA 0.826 4.966 4.120 0.034 0.000 0.288 228 V C 0.378 176.149 176.094 -0.538 0.000 1.016 228 V CA 0.366 62.218 62.300 -0.746 0.000 0.840 228 V CB 1.279 32.702 31.823 -0.667 0.000 0.994 228 V HN 1.053 nan 8.190 nan 0.000 0.431 229 G N 4.230 112.769 108.800 -0.434 0.000 2.425 229 G HA2 0.441 4.421 3.960 0.034 0.000 0.302 229 G HA3 0.441 4.421 3.960 0.034 0.000 0.302 229 G C -0.580 174.120 174.900 -0.332 0.000 1.159 229 G CA -0.455 44.385 45.100 -0.432 0.000 0.865 229 G HN 0.791 nan 8.290 nan 0.000 0.515 230 E N 1.124 121.140 120.200 -0.307 0.000 2.081 230 E HA 0.287 4.657 4.350 0.034 0.000 0.281 230 E C -0.912 175.564 176.600 -0.208 0.000 0.986 230 E CA -0.473 55.819 56.400 -0.180 0.000 0.796 230 E CB 0.672 30.286 29.700 -0.144 0.000 1.085 230 E HN 0.196 nan 8.360 nan 0.000 0.398 231 I N 4.621 125.098 120.570 -0.155 0.000 2.428 231 I HA 0.053 4.244 4.170 0.034 0.000 0.279 231 I C -0.194 175.818 176.117 -0.175 0.000 1.040 231 I CA -0.476 60.691 61.300 -0.222 0.000 1.171 231 I CB 1.287 39.127 38.000 -0.267 0.000 1.312 231 I HN 0.360 nan 8.210 nan 0.000 0.470 232 D N 5.652 125.871 120.400 -0.302 0.000 2.498 232 D HA 0.118 4.778 4.640 0.034 0.000 0.229 232 D C -0.570 175.441 176.300 -0.482 0.000 1.188 232 D CA 0.417 54.021 54.000 -0.659 0.000 1.028 232 D CB -0.068 40.442 40.800 -0.482 0.000 1.087 232 D HN 0.536 nan 8.370 nan 0.000 0.510 233 N N 0.127 118.610 118.700 -0.361 0.000 2.555 233 N HA 0.378 5.138 4.740 0.034 0.000 0.265 233 N C 0.595 176.171 175.510 0.110 0.000 1.135 233 N CA -0.630 52.362 53.050 -0.097 0.000 0.925 233 N CB 1.176 39.642 38.487 -0.036 0.000 1.662 233 N HN 0.015 nan 8.380 nan 0.000 0.489 234 G N 1.058 109.960 108.800 0.171 0.000 2.920 234 G HA2 -0.035 3.946 3.960 0.034 0.000 0.208 234 G HA3 -0.035 3.946 3.960 0.034 0.000 0.208 234 G C -0.008 175.005 174.900 0.189 0.000 1.159 234 G CA -0.050 45.236 45.100 0.309 0.000 0.784 234 G HN 0.621 nan 8.290 nan 0.000 0.535 235 N N 0.520 119.294 118.700 0.124 0.000 2.437 235 N HA 0.225 4.985 4.740 0.034 0.000 0.259 235 N C -1.322 174.255 175.510 0.112 0.000 0.983 235 N CA -1.979 51.130 53.050 0.100 0.000 0.937 235 N CB 2.457 40.984 38.487 0.067 0.000 1.122 235 N HN -0.157 nan 8.380 nan 0.000 0.499 236 P HA -0.154 nan 4.420 nan 0.000 0.218 236 P C 0.847 178.198 177.300 0.085 0.000 1.148 236 P CA 0.988 64.148 63.100 0.100 0.000 0.822 236 P CB 0.215 31.965 31.700 0.084 0.000 0.784 237 A N -0.226 122.637 122.820 0.071 0.000 2.067 237 A HA -0.078 4.262 4.320 0.034 0.000 0.219 237 A C 2.536 180.159 177.584 0.065 0.000 1.158 237 A CA 1.828 53.898 52.037 0.054 0.000 0.661 237 A CB -1.209 17.816 19.000 0.041 0.000 0.801 237 A HN 0.295 nan 8.150 nan 0.000 0.452 238 S N -0.251 115.504 115.700 0.092 0.000 2.441 238 S HA -0.089 4.401 4.470 0.034 0.000 0.224 238 S C 1.656 176.380 174.600 0.206 0.000 1.043 238 S CA 1.225 59.500 58.200 0.126 0.000 0.948 238 S CB -0.197 63.083 63.200 0.132 0.000 0.810 238 S HN 0.728 nan 8.310 nan 0.000 0.504 239 D N -0.111 120.399 120.400 0.184 0.000 2.366 239 D HA 0.100 4.760 4.640 0.034 0.000 0.205 239 D C 1.803 178.241 176.300 0.229 0.000 1.022 239 D CA 0.328 54.477 54.000 0.250 0.000 0.868 239 D CB -0.984 39.912 40.800 0.160 0.000 0.953 239 D HN 0.371 nan 8.370 nan 0.000 0.514 240 c N 0.876 119.562 118.600 0.144 0.000 2.425 240 c HA 0.030 4.620 4.570 0.034 0.000 0.277 240 c C -0.420 173.714 174.090 0.073 0.000 1.280 240 c CA 0.793 57.181 56.329 0.098 0.000 1.744 240 c CB -1.125 41.425 42.510 0.065 0.000 1.989 240 c HN 0.384 nan 8.230 nan 0.000 0.491 241 P HA -0.116 nan 4.420 nan 0.000 0.221 241 P C 0.769 178.022 177.300 -0.078 0.000 1.145 241 P CA 1.360 64.431 63.100 -0.048 0.000 0.795 241 P CB -0.257 31.377 31.700 -0.109 0.000 0.775 242 Y N -0.496 119.802 120.300 -0.003 0.000 2.497 242 Y HA -0.095 4.471 4.550 0.026 0.000 0.292 242 Y C 2.583 178.455 175.900 -0.046 0.000 1.137 242 Y CA 1.073 59.155 58.100 -0.029 0.000 1.285 242 Y CB -0.702 37.715 38.460 -0.072 0.000 0.991 242 Y HN 0.044 nan 8.280 nan 0.000 0.556 243 Q N 0.205 120.064 119.800 0.099 0.000 2.364 243 Q HA -0.211 4.149 4.340 0.034 0.000 0.207 243 Q C 1.861 177.881 176.000 0.033 0.000 0.970 243 Q CA 0.983 56.815 55.803 0.048 0.000 0.888 243 Q CB 0.063 28.826 28.738 0.041 0.000 0.951 243 Q HN 0.202 nan 8.270 nan 0.000 0.469 244 K N -1.060 119.355 120.400 0.026 0.000 2.288 244 K HA -0.033 4.307 4.320 0.034 0.000 0.201 244 K C 1.243 177.865 176.600 0.035 0.000 1.048 244 K CA 0.655 56.952 56.287 0.017 0.000 0.956 244 K CB 0.367 32.863 32.500 -0.006 0.000 0.746 244 K HN 0.040 nan 8.250 nan 0.000 0.461 245 V N -0.633 119.316 119.914 0.059 0.000 3.548 245 V HA 0.204 4.344 4.120 0.034 0.000 0.279 245 V C 0.902 177.046 176.094 0.083 0.000 1.446 245 V CA 0.193 62.552 62.300 0.098 0.000 1.023 245 V CB 0.402 32.321 31.823 0.160 0.000 0.820 245 V HN 0.188 nan 8.190 nan 0.000 0.438 246 L N -1.546 119.690 121.223 0.023 0.000 2.663 246 L HA 0.387 4.747 4.340 0.034 0.000 0.218 246 L C 1.144 177.981 176.870 -0.055 0.000 1.043 246 L CA 0.705 55.512 54.840 -0.054 0.000 0.876 246 L CB 0.683 42.632 42.059 -0.185 0.000 1.263 246 L HN 0.203 nan 8.230 nan 0.000 0.486 247 D N -1.505 118.881 120.400 -0.024 0.000 2.487 247 D HA -0.088 4.572 4.640 0.034 0.000 0.256 247 D C 0.260 176.573 176.300 0.022 0.000 0.617 247 D CA 1.081 55.087 54.000 0.009 0.000 1.647 247 D CB -0.895 39.937 40.800 0.053 0.000 1.351 247 D HN 0.334 nan 8.370 nan 0.000 0.720 248 G N 0.044 108.781 108.800 -0.106 0.000 2.695 248 G HA2 0.635 4.615 3.960 0.034 0.000 0.290 248 G HA3 0.635 4.615 3.960 0.034 0.000 0.290 248 G C -1.561 173.256 174.900 -0.138 0.000 1.410 248 G CA -0.105 44.966 45.100 -0.048 0.000 0.844 248 G HN 0.277 nan 8.290 nan 0.000 0.478 249 V N 0.123 119.997 119.914 -0.067 0.000 3.040 249 V HA 0.533 4.673 4.120 0.034 0.000 0.312 249 V C -0.721 175.358 176.094 -0.025 0.000 1.115 249 V CA -0.920 61.333 62.300 -0.078 0.000 0.998 249 V CB 2.116 33.932 31.823 -0.010 0.000 1.042 249 V HN 0.633 nan 8.190 nan 0.000 0.433 250 L N 2.708 123.925 121.223 -0.010 0.000 2.416 250 L HA 0.273 4.633 4.340 0.034 0.000 0.272 250 L C 0.836 177.832 176.870 0.210 0.000 1.161 250 L CA 0.603 55.495 54.840 0.086 0.000 0.845 250 L CB -0.023 42.047 42.059 0.019 0.000 1.119 250 L HN 0.705 nan 8.230 nan 0.000 0.464 251 N N 2.142 120.966 118.700 0.206 0.000 3.245 251 N HA -0.000 4.760 4.740 0.034 0.000 0.296 251 N C 0.470 175.972 175.510 -0.012 0.000 1.254 251 N CA -0.114 52.992 53.050 0.093 0.000 1.190 251 N CB 0.131 38.635 38.487 0.027 0.000 1.460 251 N HN 0.461 nan 8.380 nan 0.000 0.538 252 Y N 1.107 121.496 120.300 0.148 0.000 2.224 252 Y HA -0.064 4.504 4.550 0.030 0.000 0.289 252 Y C -0.789 175.217 175.900 0.177 0.000 1.146 252 Y CA 1.105 59.307 58.100 0.170 0.000 1.182 252 Y CB -0.876 37.743 38.460 0.265 0.000 0.983 252 Y HN 0.497 nan 8.280 nan 0.000 0.524 253 P HA -0.230 nan 4.420 nan 0.000 0.214 253 P C 1.567 178.961 177.300 0.156 0.000 1.163 253 P CA 1.678 64.925 63.100 0.244 0.000 0.889 253 P CB 0.005 31.804 31.700 0.165 0.000 0.790 254 I N -2.195 118.413 120.570 0.063 0.000 2.394 254 I HA -0.219 3.971 4.170 0.034 0.000 0.251 254 I C 2.274 178.304 176.117 -0.147 0.000 1.136 254 I CA 1.330 62.623 61.300 -0.013 0.000 1.425 254 I CB -1.454 36.567 38.000 0.035 0.000 1.079 254 I HN 0.002 nan 8.210 nan 0.000 0.425 255 Y N 1.288 121.350 120.300 -0.395 0.000 2.040 255 Y HA -0.294 4.273 4.550 0.029 0.000 0.275 255 Y C 2.448 178.003 175.900 -0.575 0.000 1.171 255 Y CA 1.765 59.444 58.100 -0.700 0.000 1.123 255 Y CB -0.964 36.797 38.460 -1.164 0.000 0.963 255 Y HN 0.073 nan 8.280 nan 0.000 0.493 256 W N 0.509 121.504 121.300 -0.508 0.000 2.335 256 W HA -0.240 4.435 4.660 0.026 0.000 0.311 256 W C 2.494 178.626 176.519 -0.644 0.000 1.213 256 W CA 1.260 58.218 57.345 -0.644 0.000 1.274 256 W CB -0.591 28.744 29.460 -0.208 0.000 1.148 256 W HN 0.112 nan 8.180 nan 0.000 0.498 257 Q N -0.085 119.654 119.800 -0.102 0.000 2.119 257 Q HA -0.136 4.224 4.340 0.034 0.000 0.201 257 Q C 2.240 178.157 176.000 -0.139 0.000 0.972 257 Q CA 1.065 56.844 55.803 -0.041 0.000 0.847 257 Q CB -1.372 27.381 28.738 0.024 0.000 0.903 257 Q HN 0.363 nan 8.270 nan 0.000 0.433 258 L N 0.622 121.704 121.223 -0.234 0.000 2.017 258 L HA -0.139 4.222 4.340 0.034 0.000 0.208 258 L C 2.129 178.936 176.870 -0.106 0.000 1.073 258 L CA 1.370 56.094 54.840 -0.192 0.000 0.745 258 L CB -0.957 40.901 42.059 -0.335 0.000 0.894 258 L HN 0.237 nan 8.230 nan 0.000 0.432 259 L N -1.130 119.856 121.223 -0.395 0.000 1.990 259 L HA -0.263 4.097 4.340 0.034 0.000 0.213 259 L C 2.341 179.096 176.870 -0.192 0.000 1.072 259 L CA 2.011 56.622 54.840 -0.382 0.000 0.755 259 L CB -1.034 40.493 42.059 -0.887 0.000 0.889 259 L HN 0.329 nan 8.230 nan 0.000 0.432 260 Y N 0.038 120.279 120.300 -0.099 0.000 2.242 260 Y HA 0.011 4.577 4.550 0.027 0.000 0.291 260 Y C 2.620 178.471 175.900 -0.083 0.000 1.137 260 Y CA 0.585 58.639 58.100 -0.076 0.000 1.181 260 Y CB -1.573 36.859 38.460 -0.047 0.000 0.989 260 Y HN 0.323 nan 8.280 nan 0.000 0.527 261 A N -0.494 122.340 122.820 0.022 0.000 1.940 261 A HA -0.168 4.172 4.320 0.034 0.000 0.219 261 A C 1.591 178.931 177.584 -0.407 0.000 1.176 261 A CA 1.671 53.576 52.037 -0.219 0.000 0.631 261 A CB -1.109 17.704 19.000 -0.312 0.000 0.814 261 A HN 0.399 nan 8.150 nan 0.000 0.446 262 F N -0.039 119.953 119.950 0.070 0.000 2.695 262 F HA 0.140 4.686 4.527 0.031 0.000 0.303 262 F C 1.970 177.901 175.800 0.219 0.000 1.091 262 F CA 0.543 58.632 58.000 0.149 0.000 1.300 262 F CB 0.125 39.205 39.000 0.133 0.000 1.071 262 F HN 0.465 nan 8.300 nan 0.000 0.578 263 E N 0.078 120.399 120.200 0.202 0.000 2.358 263 E HA 0.054 4.424 4.350 0.034 0.000 0.195 263 E C 0.130 176.768 176.600 0.063 0.000 1.010 263 E CA 0.657 57.099 56.400 0.070 0.000 0.856 263 E CB -0.018 29.669 29.700 -0.022 0.000 0.795 263 E HN 0.255 nan 8.360 nan 0.000 0.504 264 S N -0.094 115.645 115.700 0.065 0.000 2.570 264 S HA 0.188 4.678 4.470 0.034 0.000 0.270 264 S C 0.409 175.018 174.600 0.016 0.000 1.149 264 S CA -0.349 57.875 58.200 0.040 0.000 0.837 264 S CB 1.373 64.583 63.200 0.018 0.000 1.124 264 S HN 0.093 nan 8.310 nan 0.000 0.465 265 S N 0.866 116.578 115.700 0.020 0.000 2.440 265 S HA -0.123 4.368 4.470 0.034 0.000 0.238 265 S C 1.295 175.881 174.600 -0.023 0.000 1.010 265 S CA 1.492 59.696 58.200 0.007 0.000 0.972 265 S CB -0.681 62.533 63.200 0.023 0.000 0.774 265 S HN 1.220 nan 8.310 nan 0.000 0.501 266 S N -0.120 115.565 115.700 -0.025 0.000 2.575 266 S HA 0.511 5.001 4.470 0.034 0.000 0.237 266 S C 0.787 175.356 174.600 -0.052 0.000 0.975 266 S CA -0.203 57.973 58.200 -0.039 0.000 0.960 266 S CB -0.067 63.115 63.200 -0.030 0.000 0.822 266 S HN 0.585 nan 8.310 nan 0.000 0.472 267 G N 1.137 109.899 108.800 -0.064 0.000 2.569 267 G HA2 0.378 4.358 3.960 0.034 0.000 0.249 267 G HA3 0.378 4.358 3.960 0.034 0.000 0.249 267 G C -0.342 174.498 174.900 -0.100 0.000 1.216 267 G CA -0.497 44.563 45.100 -0.067 0.000 0.845 267 G HN 0.361 nan 8.290 nan 0.000 0.568 268 S N 0.680 116.338 115.700 -0.071 0.000 2.405 268 S HA 0.135 4.626 4.470 0.034 0.000 0.291 268 S C 1.537 176.082 174.600 -0.092 0.000 1.137 268 S CA -0.917 57.241 58.200 -0.069 0.000 1.061 268 S CB -0.075 63.108 63.200 -0.029 0.000 1.001 268 S HN 0.370 nan 8.310 nan 0.000 0.507 269 I N 4.388 124.886 120.570 -0.120 0.000 2.500 269 I HA -0.050 4.140 4.170 0.034 0.000 0.252 269 I C 2.405 178.498 176.117 -0.040 0.000 1.142 269 I CA 0.877 62.105 61.300 -0.119 0.000 1.451 269 I CB -1.442 36.472 38.000 -0.144 0.000 1.093 269 I HN 0.545 nan 8.210 nan 0.000 0.430 270 S N 1.400 117.072 115.700 -0.047 0.000 2.370 270 S HA -0.181 4.309 4.470 0.034 0.000 0.226 270 S C 1.770 176.418 174.600 0.079 0.000 1.033 270 S CA 1.381 59.577 58.200 -0.005 0.000 1.011 270 S CB -0.256 62.928 63.200 -0.027 0.000 0.852 270 S HN 0.454 nan 8.310 nan 0.000 0.457 271 N N 1.318 120.044 118.700 0.044 0.000 2.104 271 N HA -0.070 4.690 4.740 0.034 0.000 0.190 271 N C 1.678 177.233 175.510 0.075 0.000 1.024 271 N CA 0.859 53.947 53.050 0.063 0.000 0.853 271 N CB -0.670 37.852 38.487 0.059 0.000 1.008 271 N HN 0.296 nan 8.380 nan 0.000 0.424 272 L N 0.097 121.353 121.223 0.055 0.000 1.994 272 L HA -0.150 4.210 4.340 0.034 0.000 0.208 272 L C 2.218 179.151 176.870 0.106 0.000 1.071 272 L CA 1.621 56.487 54.840 0.042 0.000 0.745 272 L CB -1.132 40.918 42.059 -0.016 0.000 0.892 272 L HN 0.189 nan 8.230 nan 0.000 0.431 273 Y N 0.583 120.888 120.300 0.008 0.000 2.181 273 Y HA -0.273 4.299 4.550 0.035 0.000 0.288 273 Y C 2.392 178.313 175.900 0.035 0.000 1.146 273 Y CA 2.145 60.263 58.100 0.029 0.000 1.164 273 Y CB -0.370 38.091 38.460 0.000 0.000 0.982 273 Y HN 0.379 nan 8.280 nan 0.000 0.515 274 N N 0.087 118.911 118.700 0.207 0.000 2.120 274 N HA -0.211 4.550 4.740 0.034 0.000 0.188 274 N C 1.821 177.340 175.510 0.015 0.000 1.024 274 N CA 1.756 54.860 53.050 0.089 0.000 0.852 274 N CB -0.607 37.948 38.487 0.114 0.000 1.003 274 N HN 0.421 nan 8.380 nan 0.000 0.424 275 M N 1.123 120.747 119.600 0.040 0.000 2.213 275 M HA 0.036 4.537 4.480 0.034 0.000 0.263 275 M C 1.726 178.037 176.300 0.018 0.000 1.062 275 M CA 0.980 56.303 55.300 0.040 0.000 1.105 275 M CB -0.418 32.217 32.600 0.059 0.000 1.385 275 M HN 0.071 nan 8.290 nan 0.000 0.417 276 I N -0.352 120.213 120.570 -0.009 0.000 2.163 276 I HA -0.381 3.809 4.170 0.034 0.000 0.243 276 I C 2.154 178.237 176.117 -0.056 0.000 1.085 276 I CA 1.480 62.770 61.300 -0.017 0.000 1.347 276 I CB -0.591 37.391 38.000 -0.029 0.000 1.044 276 I HN 0.305 nan 8.210 nan 0.000 0.408 277 K N 0.062 120.386 120.400 -0.127 0.000 2.057 277 K HA -0.129 4.212 4.320 0.034 0.000 0.207 277 K C 2.370 178.946 176.600 -0.041 0.000 1.049 277 K CA 1.437 57.658 56.287 -0.109 0.000 0.931 277 K CB -0.235 32.172 32.500 -0.154 0.000 0.714 277 K HN 0.147 nan 8.250 nan 0.000 0.440 278 S N 0.655 116.345 115.700 -0.016 0.000 2.355 278 S HA -0.083 4.407 4.470 0.034 0.000 0.222 278 S C 2.081 176.692 174.600 0.018 0.000 1.031 278 S CA 0.856 59.062 58.200 0.010 0.000 0.993 278 S CB -0.047 63.169 63.200 0.026 0.000 0.859 278 S HN 0.040 nan 8.310 nan 0.000 0.453 279 V N 1.923 121.852 119.914 0.024 0.000 2.343 279 V HA -0.165 3.976 4.120 0.034 0.000 0.247 279 V C 2.582 178.686 176.094 0.017 0.000 1.051 279 V CA 1.717 64.037 62.300 0.033 0.000 1.036 279 V CB -1.120 30.731 31.823 0.046 0.000 0.654 279 V HN 0.541 nan 8.190 nan 0.000 0.451 280 A N 0.140 122.961 122.820 0.002 0.000 2.070 280 A HA -0.181 4.159 4.320 0.034 0.000 0.220 280 A C 2.497 180.075 177.584 -0.009 0.000 1.159 280 A CA 2.018 54.050 52.037 -0.010 0.000 0.656 280 A CB -0.502 18.484 19.000 -0.024 0.000 0.800 280 A HN 0.649 nan 8.150 nan 0.000 0.453 281 S N -1.121 114.576 115.700 -0.004 0.000 2.478 281 S HA -0.034 4.457 4.470 0.034 0.000 0.222 281 S C 1.101 175.705 174.600 0.006 0.000 1.008 281 S CA 1.037 59.236 58.200 -0.001 0.000 0.928 281 S CB -0.094 63.105 63.200 -0.001 0.000 0.781 281 S HN 0.451 nan 8.310 nan 0.000 0.518 282 D N 0.211 120.620 120.400 0.014 0.000 2.380 282 D HA 0.281 4.942 4.640 0.034 0.000 0.212 282 D C -0.031 176.280 176.300 0.020 0.000 1.021 282 D CA 0.106 54.117 54.000 0.018 0.000 0.884 282 D CB 0.146 40.964 40.800 0.030 0.000 1.001 282 D HN 0.317 nan 8.370 nan 0.000 0.506 283 c N 1.647 120.260 118.600 0.022 0.000 2.388 283 c HA 0.230 4.820 4.570 0.034 0.000 0.362 283 c C 2.230 176.327 174.090 0.012 0.000 1.266 283 c CA -0.355 55.989 56.329 0.025 0.000 2.028 283 c CB 0.968 43.498 42.510 0.033 0.000 2.440 283 c HN 0.333 nan 8.230 nan 0.000 0.547 284 S N 0.953 116.660 115.700 0.012 0.000 2.406 284 S HA -0.084 4.407 4.470 0.034 0.000 0.228 284 S C 0.259 174.859 174.600 -0.001 0.000 1.020 284 S CA 1.417 59.619 58.200 0.004 0.000 0.965 284 S CB -0.055 63.149 63.200 0.006 0.000 0.798 284 S HN 0.845 nan 8.310 nan 0.000 0.488 285 D N 0.729 121.133 120.400 0.006 0.000 2.381 285 D HA 0.432 5.093 4.640 0.034 0.000 0.245 285 D C -2.536 173.767 176.300 0.006 0.000 1.297 285 D CA -2.034 51.965 54.000 -0.001 0.000 0.931 285 D CB 1.676 42.479 40.800 0.004 0.000 1.334 285 D HN -0.076 nan 8.370 nan 0.000 0.535 286 P HA -0.123 nan 4.420 nan 0.000 0.219 286 P C 1.340 178.640 177.300 -0.000 0.000 1.146 286 P CA 1.362 64.465 63.100 0.006 0.000 0.808 286 P CB 0.217 31.915 31.700 -0.003 0.000 0.779 287 T N -3.794 110.750 114.554 -0.017 0.000 3.113 287 T HA -0.028 4.343 4.350 0.034 0.000 0.263 287 T C 1.373 176.069 174.700 -0.007 0.000 1.143 287 T CA 0.745 62.828 62.100 -0.028 0.000 1.090 287 T CB -0.969 67.866 68.868 -0.054 0.000 0.922 287 T HN 0.084 nan 8.240 nan 0.000 0.521 288 L N 0.307 121.544 121.223 0.022 0.000 2.607 288 L HA 0.419 4.779 4.340 0.034 0.000 0.228 288 L C 0.532 177.472 176.870 0.118 0.000 1.123 288 L CA -0.248 54.636 54.840 0.073 0.000 0.890 288 L CB -0.080 42.040 42.059 0.102 0.000 1.103 288 L HN 0.260 nan 8.230 nan 0.000 0.468 289 L N -0.019 121.247 121.223 0.072 0.000 2.436 289 L HA 0.334 4.694 4.340 0.034 0.000 0.265 289 L C 0.795 177.710 176.870 0.076 0.000 1.168 289 L CA -0.315 54.566 54.840 0.068 0.000 0.815 289 L CB 0.400 42.492 42.059 0.055 0.000 1.109 289 L HN -0.024 nan 8.230 nan 0.000 0.462 290 G N 1.402 110.249 108.800 0.079 0.000 2.356 290 G HA2 0.308 4.289 3.960 0.034 0.000 0.312 290 G HA3 0.308 4.289 3.960 0.034 0.000 0.312 290 G C -0.466 174.528 174.900 0.157 0.000 1.096 290 G CA -0.497 44.661 45.100 0.098 0.000 0.950 290 G HN 0.759 nan 8.290 nan 0.000 0.428 291 N N 1.033 119.803 118.700 0.117 0.000 2.479 291 N HA 0.658 5.418 4.740 0.034 0.000 0.285 291 N C -0.795 174.819 175.510 0.172 0.000 1.075 291 N CA -0.417 52.680 53.050 0.078 0.000 0.967 291 N CB 1.335 39.832 38.487 0.017 0.000 1.137 291 N HN 0.581 nan 8.380 nan 0.000 0.472 292 F N -0.382 119.553 119.950 -0.024 0.000 2.668 292 F HA 0.565 5.112 4.527 0.034 0.000 0.309 292 F C -0.643 175.187 175.800 0.049 0.000 1.117 292 F CA -1.043 56.943 58.000 -0.025 0.000 0.951 292 F CB 0.798 39.723 39.000 -0.125 0.000 1.323 292 F HN 0.236 nan 8.300 nan 0.000 0.451 293 I N 0.776 121.475 120.570 0.216 0.000 4.327 293 I HA 0.341 4.531 4.170 0.034 0.000 0.331 293 I C -0.675 175.697 176.117 0.426 0.000 1.348 293 I CA 0.234 61.652 61.300 0.197 0.000 1.152 293 I CB -0.036 37.958 38.000 -0.009 0.000 1.151 293 I HN 0.772 nan 8.210 nan 0.000 0.410 294 E N 0.332 120.792 120.200 0.433 0.000 2.390 294 E HA 0.492 4.863 4.350 0.034 0.000 0.280 294 E C -1.407 175.323 176.600 0.216 0.000 0.992 294 E CA -0.867 55.762 56.400 0.380 0.000 0.790 294 E CB 1.457 31.407 29.700 0.416 0.000 1.248 294 E HN 0.103 nan 8.360 nan 0.000 0.447 295 N N -0.588 118.113 118.700 0.003 0.000 3.243 295 N HA 0.138 4.899 4.740 0.034 0.000 0.280 295 N C -0.153 175.031 175.510 -0.542 0.000 1.545 295 N CA -0.346 52.468 53.050 -0.393 0.000 0.854 295 N CB -0.138 38.090 38.487 -0.431 0.000 1.612 295 N HN 0.768 nan 8.380 nan 0.000 0.577 296 H N -3.382 115.215 119.070 -0.789 0.000 2.556 296 H HA 0.354 4.930 4.556 0.033 0.000 0.268 296 H C -0.557 174.700 175.328 -0.118 0.000 0.996 296 H CA 0.284 56.064 56.048 -0.447 0.000 1.157 296 H CB 0.061 29.646 29.762 -0.295 0.000 1.355 296 H HN 0.386 nan 8.280 nan 0.000 0.597 297 D N -0.166 119.993 120.400 -0.402 0.000 2.441 297 D HA 0.110 4.770 4.640 0.034 0.000 0.210 297 D C -0.104 176.175 176.300 -0.034 0.000 1.102 297 D CA 0.053 53.892 54.000 -0.269 0.000 0.840 297 D CB 0.437 41.024 40.800 -0.355 0.000 0.990 297 D HN 0.398 nan 8.370 nan 0.000 0.505 298 N N 0.650 119.376 118.700 0.045 0.000 2.405 298 N HA 0.343 5.103 4.740 0.034 0.000 0.285 298 N C -2.815 172.836 175.510 0.234 0.000 1.262 298 N CA -1.357 51.812 53.050 0.198 0.000 0.773 298 N CB 2.217 40.870 38.487 0.276 0.000 1.490 298 N HN -0.270 nan 8.380 nan 0.000 0.486 299 P HA 0.077 nan 4.420 nan 0.000 0.267 299 P C -0.024 177.480 177.300 0.339 0.000 1.201 299 P CA -0.000 63.236 63.100 0.227 0.000 0.775 299 P CB 0.552 32.301 31.700 0.082 0.000 0.854 300 R N 1.575 122.234 120.500 0.265 0.000 2.594 300 R HA 0.137 4.497 4.340 0.034 0.000 0.272 300 R C 1.049 177.577 176.300 0.380 0.000 1.074 300 R CA -0.272 56.014 56.100 0.309 0.000 1.105 300 R CB -1.190 29.237 30.300 0.211 0.000 1.008 300 R HN 0.488 nan 8.270 nan 0.000 0.472 301 F N 2.197 122.304 119.950 0.262 0.000 2.091 301 F HA -0.228 4.318 4.527 0.031 0.000 0.299 301 F C 1.729 177.660 175.800 0.218 0.000 1.103 301 F CA 2.308 60.458 58.000 0.248 0.000 1.228 301 F CB -0.105 38.974 39.000 0.133 0.000 0.984 301 F HN 0.625 nan 8.300 nan 0.000 0.477 302 A N 0.226 123.113 122.820 0.112 0.000 2.259 302 A HA -0.177 4.164 4.320 0.034 0.000 0.212 302 A C 1.966 179.459 177.584 -0.151 0.000 1.178 302 A CA 1.497 53.441 52.037 -0.154 0.000 0.734 302 A CB -0.929 17.754 19.000 -0.528 0.000 0.774 302 A HN 0.656 nan 8.150 nan 0.000 0.481 303 K N -2.006 118.343 120.400 -0.084 0.000 2.305 303 K HA 0.023 4.363 4.320 0.034 0.000 0.199 303 K C 1.152 177.589 176.600 -0.271 0.000 1.047 303 K CA 1.177 57.353 56.287 -0.185 0.000 0.976 303 K CB -0.413 31.945 32.500 -0.237 0.000 0.765 303 K HN 0.399 nan 8.250 nan 0.000 0.474 304 Y N 0.614 120.796 120.300 -0.197 0.000 2.436 304 Y HA 0.202 4.773 4.550 0.036 0.000 0.288 304 Y C 0.598 176.358 175.900 -0.233 0.000 1.112 304 Y CA 0.397 58.376 58.100 -0.202 0.000 1.220 304 Y CB 0.649 38.959 38.460 -0.251 0.000 1.073 304 Y HN 0.074 nan 8.280 nan 0.000 0.552 305 T N -1.046 113.415 114.554 -0.154 0.000 3.041 305 T HA 0.296 4.666 4.350 0.034 0.000 0.321 305 T C 0.117 174.774 174.700 -0.072 0.000 1.184 305 T CA -0.341 61.692 62.100 -0.111 0.000 1.050 305 T CB 0.978 69.768 68.868 -0.131 0.000 1.159 305 T HN 0.033 nan 8.240 nan 0.000 0.469 306 S N 2.604 118.310 115.700 0.010 0.000 2.582 306 S HA 0.208 4.698 4.470 0.034 0.000 0.234 306 S C 0.240 174.927 174.600 0.146 0.000 0.961 306 S CA -0.481 57.777 58.200 0.097 0.000 0.953 306 S CB -0.061 63.197 63.200 0.097 0.000 0.800 306 S HN 0.726 nan 8.310 nan 0.000 0.471 307 D N 1.066 121.532 120.400 0.110 0.000 2.371 307 D HA 0.080 4.740 4.640 0.034 0.000 0.256 307 D C 0.300 176.653 176.300 0.087 0.000 1.193 307 D CA -0.210 53.862 54.000 0.121 0.000 0.881 307 D CB 0.348 41.221 40.800 0.120 0.000 1.143 307 D HN 0.287 nan 8.370 nan 0.000 0.473 308 Y N 1.952 122.249 120.300 -0.006 0.000 2.352 308 Y HA -0.159 4.412 4.550 0.035 0.000 0.292 308 Y C 2.675 178.486 175.900 -0.148 0.000 1.136 308 Y CA 0.848 58.875 58.100 -0.122 0.000 1.227 308 Y CB 0.174 38.505 38.460 -0.213 0.000 0.991 308 Y HN 0.375 nan 8.280 nan 0.000 0.545 309 S N -0.565 115.157 115.700 0.037 0.000 2.368 309 S HA -0.183 4.308 4.470 0.034 0.000 0.224 309 S C 1.974 176.553 174.600 -0.036 0.000 1.029 309 S CA 0.960 59.123 58.200 -0.063 0.000 0.988 309 S CB -0.154 63.044 63.200 -0.005 0.000 0.838 309 S HN 0.447 nan 8.310 nan 0.000 0.462 310 Q N 1.352 121.219 119.800 0.110 0.000 2.061 310 Q HA -0.083 4.278 4.340 0.034 0.000 0.204 310 Q C 2.503 178.531 176.000 0.046 0.000 0.984 310 Q CA 1.614 57.566 55.803 0.247 0.000 0.846 310 Q CB -0.966 28.055 28.738 0.472 0.000 0.902 310 Q HN 0.567 nan 8.270 nan 0.000 0.421 311 A N 1.507 124.390 122.820 0.105 0.000 1.883 311 A HA -0.246 4.094 4.320 0.034 0.000 0.217 311 A C 2.180 179.589 177.584 -0.292 0.000 1.186 311 A CA 2.052 54.024 52.037 -0.107 0.000 0.624 311 A CB -0.458 18.575 19.000 0.055 0.000 0.822 311 A HN 0.295 nan 8.150 nan 0.000 0.444 312 K N -0.122 120.039 120.400 -0.398 0.000 2.057 312 K HA -0.098 4.243 4.320 0.034 0.000 0.207 312 K C 1.966 178.391 176.600 -0.292 0.000 1.049 312 K CA 1.430 57.277 56.287 -0.733 0.000 0.931 312 K CB -0.173 31.476 32.500 -1.419 0.000 0.714 312 K HN 0.461 nan 8.250 nan 0.000 0.440 313 N N 0.310 118.827 118.700 -0.306 0.000 2.142 313 N HA -0.135 4.625 4.740 0.034 0.000 0.186 313 N C 1.860 177.087 175.510 -0.471 0.000 1.023 313 N CA 1.790 54.638 53.050 -0.336 0.000 0.852 313 N CB -0.001 38.211 38.487 -0.460 0.000 0.998 313 N HN 0.134 nan 8.380 nan 0.000 0.424 314 V N -0.790 118.786 119.914 -0.564 0.000 2.453 314 V HA -0.061 4.079 4.120 0.034 0.000 0.247 314 V C 2.358 178.382 176.094 -0.117 0.000 1.048 314 V CA 0.999 63.002 62.300 -0.495 0.000 1.049 314 V CB -0.898 30.476 31.823 -0.748 0.000 0.672 314 V HN 0.067 nan 8.190 nan 0.000 0.457 315 L N 0.806 122.028 121.223 -0.001 0.000 1.994 315 L HA -0.122 4.238 4.340 0.034 0.000 0.208 315 L C 2.933 180.054 176.870 0.419 0.000 1.071 315 L CA 2.048 57.062 54.840 0.290 0.000 0.745 315 L CB -0.741 41.539 42.059 0.369 0.000 0.892 315 L HN 0.322 nan 8.230 nan 0.000 0.431 316 S N -1.216 114.711 115.700 0.379 0.000 2.370 316 S HA -0.265 4.226 4.470 0.034 0.000 0.226 316 S C 1.844 176.619 174.600 0.293 0.000 1.033 316 S CA 1.464 59.877 58.200 0.355 0.000 1.011 316 S CB -0.482 62.945 63.200 0.379 0.000 0.852 316 S HN 0.373 nan 8.310 nan 0.000 0.457 317 Y N 2.811 123.178 120.300 0.111 0.000 2.097 317 Y HA -0.204 4.365 4.550 0.031 0.000 0.282 317 Y C 2.118 178.072 175.900 0.090 0.000 1.152 317 Y CA 1.893 60.028 58.100 0.058 0.000 1.136 317 Y CB -0.463 37.958 38.460 -0.066 0.000 0.975 317 Y HN 0.356 nan 8.280 nan 0.000 0.498 318 I N -3.065 117.644 120.570 0.230 0.000 2.361 318 I HA -0.243 3.947 4.170 0.034 0.000 0.251 318 I C 1.720 177.801 176.117 -0.060 0.000 1.133 318 I CA 1.606 62.955 61.300 0.081 0.000 1.413 318 I CB -0.847 37.195 38.000 0.071 0.000 1.073 318 I HN 0.071 nan 8.210 nan 0.000 0.424 319 F N 0.462 120.442 119.950 0.050 0.000 2.335 319 F HA 0.074 4.622 4.527 0.036 0.000 0.296 319 F C 1.900 177.708 175.800 0.014 0.000 1.091 319 F CA 0.797 58.824 58.000 0.044 0.000 1.399 319 F CB 0.004 39.031 39.000 0.045 0.000 1.067 319 F HN 0.064 nan 8.300 nan 0.000 0.520 320 L N -1.015 120.296 121.223 0.148 0.000 2.638 320 L HA 0.184 4.544 4.340 0.034 0.000 0.232 320 L C 1.315 178.160 176.870 -0.040 0.000 1.099 320 L CA 0.208 55.105 54.840 0.095 0.000 0.883 320 L CB -1.060 41.078 42.059 0.131 0.000 1.136 320 L HN -0.013 nan 8.230 nan 0.000 0.492 321 S N -1.691 113.859 115.700 -0.250 0.000 2.640 321 S HA 0.232 4.722 4.470 0.034 0.000 0.262 321 S C -0.047 174.446 174.600 -0.178 0.000 1.232 321 S CA -0.764 57.232 58.200 -0.340 0.000 0.988 321 S CB 0.665 63.380 63.200 -0.809 0.000 1.034 321 S HN 0.079 nan 8.310 nan 0.000 0.569 322 D N 0.810 121.130 120.400 -0.132 0.000 2.389 322 D HA 0.575 5.235 4.640 0.034 0.000 0.247 322 D C 0.714 176.974 176.300 -0.067 0.000 1.128 322 D CA 1.705 55.652 54.000 -0.088 0.000 0.884 322 D CB 0.485 41.253 40.800 -0.053 0.000 1.194 322 D HN 1.032 nan 8.370 nan 0.000 0.441 323 G N 0.904 109.673 108.800 -0.051 0.000 2.408 323 G HA2 -0.101 3.879 3.960 0.034 0.000 0.682 323 G HA3 -0.101 3.879 3.960 0.034 0.000 0.682 323 G C -0.807 174.080 174.900 -0.022 0.000 1.303 323 G CA -1.000 44.087 45.100 -0.022 0.000 0.966 323 G HN 0.440 nan 8.290 nan 0.000 0.560 324 I N 2.942 123.516 120.570 0.007 0.000 2.301 324 I HA 0.287 4.477 4.170 0.034 0.000 0.292 324 I C -1.602 174.506 176.117 -0.014 0.000 1.046 324 I CA -1.864 59.448 61.300 0.020 0.000 1.282 324 I CB 1.610 39.654 38.000 0.072 0.000 1.409 324 I HN 0.252 nan 8.210 nan 0.000 0.484 325 P HA 0.155 nan 4.420 nan 0.000 0.268 325 P C -0.695 176.553 177.300 -0.087 0.000 1.204 325 P CA 0.346 63.251 63.100 -0.326 0.000 0.768 325 P CB 0.862 31.869 31.700 -1.154 0.000 0.842 326 I N 2.968 123.563 120.570 0.041 0.000 2.468 326 I HA 0.249 4.440 4.170 0.034 0.000 0.285 326 I C -0.163 176.060 176.117 0.177 0.000 1.039 326 I CA -1.102 60.295 61.300 0.161 0.000 1.074 326 I CB 2.328 40.458 38.000 0.217 0.000 1.228 326 I HN -0.010 nan 8.210 nan 0.000 0.436 327 V N 5.904 125.920 119.914 0.168 0.000 2.427 327 V HA 0.236 4.376 4.120 0.034 0.000 0.286 327 V C -0.718 175.346 176.094 -0.050 0.000 1.034 327 V CA -0.669 61.732 62.300 0.169 0.000 0.893 327 V CB 1.624 33.672 31.823 0.374 0.000 0.982 327 V HN 0.470 nan 8.190 nan 0.000 0.452 328 Y N 4.788 124.989 120.300 -0.164 0.000 2.383 328 Y HA 0.620 5.191 4.550 0.035 0.000 0.344 328 Y C 0.592 176.219 175.900 -0.455 0.000 0.986 328 Y CA -1.475 56.410 58.100 -0.358 0.000 1.175 328 Y CB 0.439 38.804 38.460 -0.159 0.000 1.152 328 Y HN 0.807 nan 8.280 nan 0.000 0.511 329 A N 4.432 126.666 122.820 -0.976 0.000 2.600 329 A HA 0.356 4.696 4.320 0.034 0.000 0.244 329 A C 1.407 178.580 177.584 -0.685 0.000 1.016 329 A CA 1.416 52.993 52.037 -0.766 0.000 0.778 329 A CB -1.114 17.520 19.000 -0.610 0.000 0.920 329 A HN 1.916 nan 8.150 nan 0.000 0.513 330 G N 1.473 110.006 108.800 -0.445 0.000 2.352 330 G HA2 -0.231 3.750 3.960 0.034 0.000 0.204 330 G HA3 -0.231 3.750 3.960 0.034 0.000 0.204 330 G C 0.957 175.577 174.900 -0.466 0.000 1.004 330 G CA 0.757 45.358 45.100 -0.833 0.000 0.648 330 G HN 0.805 nan 8.290 nan 0.000 0.491 331 E N 0.880 120.957 120.200 -0.205 0.000 2.085 331 E HA -0.185 4.185 4.350 0.034 0.000 0.194 331 E C 2.361 179.031 176.600 0.117 0.000 0.994 331 E CA 1.660 58.074 56.400 0.023 0.000 0.801 331 E CB -0.071 29.697 29.700 0.112 0.000 0.743 331 E HN 0.650 nan 8.360 nan 0.000 0.453 332 E N 0.063 120.351 120.200 0.146 0.000 2.347 332 E HA -0.193 4.177 4.350 0.034 0.000 0.196 332 E C 1.244 177.997 176.600 0.256 0.000 1.008 332 E CA 0.795 57.341 56.400 0.243 0.000 0.852 332 E CB 0.017 29.895 29.700 0.296 0.000 0.783 332 E HN 0.293 nan 8.360 nan 0.000 0.505 333 Q N 0.116 119.989 119.800 0.122 0.000 2.319 333 Q HA 0.043 4.404 4.340 0.034 0.000 0.202 333 Q C -0.161 175.991 176.000 0.254 0.000 0.896 333 Q CA 0.017 55.889 55.803 0.115 0.000 0.942 333 Q CB -0.461 28.192 28.738 -0.142 0.000 1.083 333 Q HN 0.530 nan 8.270 nan 0.000 0.510 334 H N -0.339 118.807 119.070 0.126 0.000 2.839 334 H HA -0.190 4.387 4.556 0.034 0.000 0.298 334 H C -0.913 174.563 175.328 0.246 0.000 1.224 334 H CA -0.092 56.041 56.048 0.141 0.000 1.144 334 H CB -0.764 29.064 29.762 0.110 0.000 1.372 334 H HN 0.133 nan 8.280 nan 0.000 0.408 335 Y N 0.005 120.297 120.300 -0.014 0.000 2.712 335 Y HA 0.154 4.724 4.550 0.033 0.000 0.333 335 Y C 1.284 177.119 175.900 -0.108 0.000 1.225 335 Y CA 0.647 58.708 58.100 -0.067 0.000 1.499 335 Y CB 0.649 39.058 38.460 -0.084 0.000 1.288 335 Y HN 0.397 nan 8.280 nan 0.000 0.575 336 A N 2.654 125.473 122.820 -0.000 0.000 2.469 336 A HA 0.349 4.689 4.320 0.034 0.000 0.245 336 A C 1.230 178.792 177.584 -0.037 0.000 1.221 336 A CA 0.233 52.229 52.037 -0.069 0.000 0.946 336 A CB -0.491 18.442 19.000 -0.111 0.000 1.049 336 A HN 0.839 nan 8.150 nan 0.000 0.529 337 G N 0.297 109.096 108.800 -0.003 0.000 2.224 337 G HA2 0.372 4.353 3.960 0.034 0.000 0.239 337 G HA3 0.372 4.353 3.960 0.034 0.000 0.239 337 G C 0.703 175.645 174.900 0.069 0.000 1.240 337 G CA 0.301 45.428 45.100 0.044 0.000 0.896 337 G HN 0.534 nan 8.290 nan 0.000 0.496 338 G N 1.614 110.454 108.800 0.066 0.000 3.286 338 G HA2 0.340 4.320 3.960 0.034 0.000 0.173 338 G HA3 0.340 4.320 3.960 0.034 0.000 0.173 338 G C 0.406 175.373 174.900 0.111 0.000 1.704 338 G CA -0.559 44.553 45.100 0.020 0.000 1.041 338 G HN 0.590 nan 8.290 nan 0.000 0.561 339 K N -0.084 120.376 120.400 0.099 0.000 2.580 339 K HA 0.056 4.396 4.320 0.034 0.000 0.278 339 K C 0.486 177.211 176.600 0.208 0.000 0.960 339 K CA -0.075 56.298 56.287 0.144 0.000 0.988 339 K CB 0.391 32.981 32.500 0.150 0.000 0.887 339 K HN 0.062 nan 8.250 nan 0.000 0.509 340 V N 4.990 124.995 119.914 0.152 0.000 2.843 340 V HA -0.004 4.137 4.120 0.034 0.000 0.305 340 V C -1.047 175.120 176.094 0.121 0.000 1.065 340 V CA -0.609 61.761 62.300 0.118 0.000 1.116 340 V CB 0.837 32.699 31.823 0.065 0.000 0.968 340 V HN 0.756 nan 8.190 nan 0.000 0.487 341 P HA 0.052 nan 4.420 nan 0.000 0.257 341 P C 0.747 177.935 177.300 -0.188 0.000 1.281 341 P CA 0.250 63.302 63.100 -0.081 0.000 0.826 341 P CB 0.114 31.739 31.700 -0.125 0.000 1.237 342 Y N 2.413 122.727 120.300 0.023 0.000 2.256 342 Y HA -0.183 4.387 4.550 0.033 0.000 0.288 342 Y C 2.166 178.063 175.900 -0.005 0.000 1.155 342 Y CA 1.681 59.775 58.100 -0.011 0.000 1.203 342 Y CB -1.119 37.327 38.460 -0.023 0.000 0.980 342 Y HN 0.157 nan 8.280 nan 0.000 0.530 343 N N 0.760 119.546 118.700 0.143 0.000 2.501 343 N HA -0.081 4.679 4.740 0.034 0.000 0.195 343 N C 0.072 175.702 175.510 0.199 0.000 1.213 343 N CA 0.385 53.541 53.050 0.177 0.000 0.864 343 N CB -0.342 38.276 38.487 0.218 0.000 0.999 343 N HN 0.340 nan 8.380 nan 0.000 0.454 344 R N 0.390 120.942 120.500 0.087 0.000 2.767 344 R HA 0.192 4.552 4.340 0.034 0.000 0.377 344 R C -0.725 175.524 176.300 -0.085 0.000 1.151 344 R CA -0.471 55.675 56.100 0.078 0.000 1.046 344 R CB 0.187 30.557 30.300 0.117 0.000 1.404 344 R HN 0.237 nan 8.270 nan 0.000 0.580 345 E N 1.724 121.855 120.200 -0.114 0.000 2.452 345 E HA 0.098 4.468 4.350 0.034 0.000 0.261 345 E C 0.075 176.528 176.600 -0.246 0.000 0.987 345 E CA 0.072 56.324 56.400 -0.247 0.000 0.926 345 E CB 0.537 29.991 29.700 -0.409 0.000 0.934 345 E HN 0.259 nan 8.360 nan 0.000 0.452 346 A N 3.045 125.572 122.820 -0.488 0.000 2.488 346 A HA 0.081 4.421 4.320 0.034 0.000 0.249 346 A C 1.032 178.272 177.584 -0.573 0.000 1.083 346 A CA -0.228 51.292 52.037 -0.861 0.000 0.768 346 A CB 0.157 18.161 19.000 -1.660 0.000 1.017 346 A HN 0.723 nan 8.150 nan 0.000 0.496 347 T N 1.966 116.263 114.554 -0.427 0.000 2.867 347 T HA -0.162 4.208 4.350 0.034 0.000 0.268 347 T C 1.418 175.764 174.700 -0.590 0.000 1.057 347 T CA 1.885 63.787 62.100 -0.331 0.000 1.136 347 T CB -0.345 68.422 68.868 -0.168 0.000 0.874 347 T HN 1.015 nan 8.240 nan 0.000 0.466 348 W N 2.123 123.048 121.300 -0.626 0.000 2.392 348 W HA 0.099 4.780 4.660 0.035 0.000 0.279 348 W C 1.167 177.390 176.519 -0.493 0.000 1.225 348 W CA 0.104 56.965 57.345 -0.807 0.000 1.233 348 W CB -1.219 27.992 29.460 -0.414 0.000 1.122 348 W HN 0.159 nan 8.180 nan 0.000 0.561 349 L N 2.018 123.048 121.223 -0.321 0.000 2.376 349 L HA -0.134 4.227 4.340 0.034 0.000 0.219 349 L C 2.816 179.632 176.870 -0.090 0.000 1.133 349 L CA 1.489 56.253 54.840 -0.127 0.000 0.816 349 L CB -0.904 41.027 42.059 -0.213 0.000 0.933 349 L HN 0.258 nan 8.230 nan 0.000 0.449 350 S N -0.485 115.145 115.700 -0.117 0.000 2.481 350 S HA -0.001 4.489 4.470 0.034 0.000 0.231 350 S C 1.716 176.251 174.600 -0.108 0.000 0.996 350 S CA 0.562 58.733 58.200 -0.047 0.000 0.942 350 S CB -0.113 63.040 63.200 -0.078 0.000 0.768 350 S HN 0.524 nan 8.310 nan 0.000 0.520 351 G N 0.169 108.844 108.800 -0.209 0.000 2.148 351 G HA2 -0.319 3.661 3.960 0.034 0.000 0.254 351 G HA3 -0.319 3.661 3.960 0.034 0.000 0.254 351 G C 0.227 175.098 174.900 -0.049 0.000 0.981 351 G CA -0.005 45.032 45.100 -0.106 0.000 0.670 351 G HN 0.785 nan 8.290 nan 0.000 0.528 352 Y N -1.380 118.821 120.300 -0.165 0.000 3.305 352 Y HA -0.182 4.388 4.550 0.033 0.000 0.209 352 Y C 0.878 176.789 175.900 0.019 0.000 1.354 352 Y CA 0.580 58.483 58.100 -0.329 0.000 1.392 352 Y CB -2.088 36.115 38.460 -0.429 0.000 1.446 352 Y HN 0.604 nan 8.280 nan 0.000 0.553 353 D N 0.946 121.424 120.400 0.130 0.000 2.342 353 D HA 0.140 4.801 4.640 0.034 0.000 0.260 353 D C 1.185 177.484 176.300 -0.002 0.000 1.278 353 D CA 0.672 54.725 54.000 0.089 0.000 0.910 353 D CB 0.783 41.621 40.800 0.064 0.000 1.079 353 D HN 0.344 nan 8.370 nan 0.000 0.496 354 T N -0.066 114.386 114.554 -0.170 0.000 3.215 354 T HA -0.048 4.323 4.350 0.034 0.000 0.254 354 T C 1.143 175.546 174.700 -0.496 0.000 1.149 354 T CA 0.398 62.035 62.100 -0.771 0.000 1.042 354 T CB -0.377 68.114 68.868 -0.629 0.000 0.966 354 T HN 0.248 nan 8.240 nan 0.000 0.534 355 S N -0.172 115.427 115.700 -0.169 0.000 2.602 355 S HA 0.664 5.155 4.470 0.034 0.000 0.240 355 S C 0.764 175.381 174.600 0.028 0.000 0.992 355 S CA -0.449 57.721 58.200 -0.052 0.000 0.971 355 S CB -0.115 63.069 63.200 -0.028 0.000 0.855 355 S HN 0.676 nan 8.310 nan 0.000 0.481 356 A N 1.492 124.360 122.820 0.079 0.000 2.462 356 A HA 0.323 4.663 4.320 0.034 0.000 0.243 356 A C 1.228 178.924 177.584 0.187 0.000 1.076 356 A CA -0.229 51.902 52.037 0.156 0.000 0.773 356 A CB 0.001 19.152 19.000 0.250 0.000 1.010 356 A HN 0.541 nan 8.150 nan 0.000 0.493 357 E N 0.656 120.924 120.200 0.113 0.000 2.086 357 E HA -0.248 4.122 4.350 0.034 0.000 0.205 357 E C 1.224 177.950 176.600 0.210 0.000 1.027 357 E CA 1.586 58.032 56.400 0.077 0.000 0.830 357 E CB -0.148 29.458 29.700 -0.157 0.000 0.751 357 E HN 0.638 nan 8.360 nan 0.000 0.456 358 L N -0.282 121.109 121.223 0.280 0.000 2.313 358 L HA -0.099 4.261 4.340 0.034 0.000 0.214 358 L C 1.926 178.984 176.870 0.314 0.000 1.119 358 L CA 1.126 56.149 54.840 0.305 0.000 0.809 358 L CB -0.780 41.457 42.059 0.296 0.000 0.933 358 L HN 0.238 nan 8.230 nan 0.000 0.449 359 Y N 0.450 120.861 120.300 0.184 0.000 2.145 359 Y HA -0.293 4.278 4.550 0.035 0.000 0.286 359 Y C 2.524 178.477 175.900 0.089 0.000 1.145 359 Y CA 2.290 60.468 58.100 0.129 0.000 1.148 359 Y CB -0.417 38.108 38.460 0.110 0.000 0.981 359 Y HN 0.126 nan 8.280 nan 0.000 0.507 360 T N 0.746 115.524 114.554 0.372 0.000 2.708 360 T HA -0.260 4.111 4.350 0.034 0.000 0.266 360 T C 1.671 176.474 174.700 0.172 0.000 1.037 360 T CA 1.543 63.792 62.100 0.248 0.000 1.146 360 T CB -0.841 68.162 68.868 0.225 0.000 0.865 360 T HN 0.672 nan 8.240 nan 0.000 0.435 361 W N 1.636 122.951 121.300 0.025 0.000 2.342 361 W HA -0.115 4.564 4.660 0.032 0.000 0.297 361 W C 1.752 178.216 176.519 -0.092 0.000 1.213 361 W CA 1.022 58.359 57.345 -0.014 0.000 1.251 361 W CB -0.355 29.092 29.460 -0.021 0.000 1.136 361 W HN 0.269 nan 8.180 nan 0.000 0.526 362 I N 0.780 121.338 120.570 -0.020 0.000 2.286 362 I HA -0.243 3.948 4.170 0.034 0.000 0.245 362 I C 2.737 178.560 176.117 -0.491 0.000 1.104 362 I CA 1.247 62.358 61.300 -0.315 0.000 1.397 362 I CB -1.106 36.825 38.000 -0.115 0.000 1.072 362 I HN -0.130 nan 8.210 nan 0.000 0.417 363 A N 0.692 123.299 122.820 -0.355 0.000 1.908 363 A HA -0.217 4.123 4.320 0.034 0.000 0.218 363 A C 2.394 179.796 177.584 -0.304 0.000 1.181 363 A CA 2.603 54.448 52.037 -0.321 0.000 0.627 363 A CB -1.102 17.791 19.000 -0.178 0.000 0.818 363 A HN 0.387 nan 8.150 nan 0.000 0.445 364 T N -0.321 114.060 114.554 -0.288 0.000 2.777 364 T HA -0.093 4.277 4.350 0.034 0.000 0.266 364 T C 2.032 176.465 174.700 -0.444 0.000 1.040 364 T CA 1.837 63.749 62.100 -0.314 0.000 1.141 364 T CB -0.552 68.158 68.868 -0.262 0.000 0.868 364 T HN 0.582 nan 8.240 nan 0.000 0.444 365 T N 2.542 116.758 114.554 -0.563 0.000 2.720 365 T HA -0.120 4.250 4.350 0.034 0.000 0.268 365 T C 2.028 176.392 174.700 -0.560 0.000 1.037 365 T CA 0.925 62.649 62.100 -0.626 0.000 1.144 365 T CB -0.352 68.045 68.868 -0.786 0.000 0.864 365 T HN 0.264 nan 8.240 nan 0.000 0.444 366 N N 1.088 119.429 118.700 -0.597 0.000 2.120 366 N HA -0.010 4.750 4.740 0.034 0.000 0.188 366 N C 2.144 177.509 175.510 -0.242 0.000 1.024 366 N CA 1.328 54.156 53.050 -0.371 0.000 0.852 366 N CB -0.405 37.840 38.487 -0.403 0.000 1.003 366 N HN 0.434 nan 8.380 nan 0.000 0.424 367 A N 1.308 123.967 122.820 -0.268 0.000 1.877 367 A HA -0.091 4.250 4.320 0.034 0.000 0.216 367 A C 2.357 179.817 177.584 -0.207 0.000 1.186 367 A CA 0.923 52.834 52.037 -0.210 0.000 0.620 367 A CB -0.660 18.214 19.000 -0.210 0.000 0.822 367 A HN 0.251 nan 8.150 nan 0.000 0.443 368 I N -1.089 119.322 120.570 -0.265 0.000 2.163 368 I HA -0.290 3.900 4.170 0.034 0.000 0.243 368 I C 2.765 178.757 176.117 -0.209 0.000 1.085 368 I CA 1.946 63.081 61.300 -0.275 0.000 1.347 368 I CB -0.363 37.407 38.000 -0.385 0.000 1.044 368 I HN 0.385 nan 8.210 nan 0.000 0.408 369 R N 1.457 121.872 120.500 -0.142 0.000 2.073 369 R HA -0.173 4.187 4.340 0.034 0.000 0.234 369 R C 2.307 178.573 176.300 -0.056 0.000 1.134 369 R CA 1.518 57.600 56.100 -0.029 0.000 0.952 369 R CB -0.042 30.337 30.300 0.131 0.000 0.850 369 R HN 0.258 nan 8.270 nan 0.000 0.433 370 K N 0.248 120.609 120.400 -0.065 0.000 2.097 370 K HA -0.171 4.169 4.320 0.034 0.000 0.206 370 K C 2.030 178.568 176.600 -0.102 0.000 1.049 370 K CA 1.182 57.432 56.287 -0.063 0.000 0.933 370 K CB -0.224 32.239 32.500 -0.062 0.000 0.717 370 K HN 0.143 nan 8.250 nan 0.000 0.442 371 L N 1.099 122.235 121.223 -0.144 0.000 2.056 371 L HA -0.075 4.285 4.340 0.034 0.000 0.207 371 L C 2.206 178.951 176.870 -0.207 0.000 1.078 371 L CA 1.727 56.471 54.840 -0.159 0.000 0.749 371 L CB -0.723 41.234 42.059 -0.171 0.000 0.901 371 L HN 0.096 nan 8.230 nan 0.000 0.433 372 A N -0.152 122.478 122.820 -0.317 0.000 1.877 372 A HA -0.185 4.155 4.320 0.034 0.000 0.216 372 A C 2.295 179.594 177.584 -0.474 0.000 1.186 372 A CA 2.135 53.840 52.037 -0.553 0.000 0.620 372 A CB -0.887 17.469 19.000 -1.073 0.000 0.822 372 A HN 0.504 nan 8.150 nan 0.000 0.443 373 I N -0.239 120.172 120.570 -0.266 0.000 2.142 373 I HA -0.306 3.884 4.170 0.034 0.000 0.240 373 I C 2.999 179.104 176.117 -0.019 0.000 1.078 373 I CA 1.151 62.456 61.300 0.009 0.000 1.343 373 I CB -0.370 37.682 38.000 0.086 0.000 1.046 373 I HN 0.364 nan 8.210 nan 0.000 0.405 374 A N 0.532 123.318 122.820 -0.056 0.000 1.940 374 A HA -0.194 4.146 4.320 0.034 0.000 0.219 374 A C 2.408 179.963 177.584 -0.048 0.000 1.176 374 A CA 2.077 54.086 52.037 -0.046 0.000 0.631 374 A CB -0.732 18.232 19.000 -0.059 0.000 0.814 374 A HN 0.481 nan 8.150 nan 0.000 0.446 375 A N -1.620 121.153 122.820 -0.079 0.000 2.081 375 A HA 0.224 4.564 4.320 0.034 0.000 0.214 375 A C 0.677 178.237 177.584 -0.040 0.000 1.158 375 A CA 1.106 53.103 52.037 -0.067 0.000 0.724 375 A CB 0.053 18.994 19.000 -0.099 0.000 0.826 375 A HN 0.418 nan 8.150 nan 0.000 0.463 376 D N -1.651 118.737 120.400 -0.019 0.000 2.479 376 D HA 0.369 5.029 4.640 0.034 0.000 0.246 376 D C 0.270 176.618 176.300 0.079 0.000 1.336 376 D CA -0.218 53.801 54.000 0.032 0.000 0.967 376 D CB 1.258 42.081 40.800 0.037 0.000 1.275 376 D HN -0.116 nan 8.370 nan 0.000 0.577 377 S N 1.802 117.537 115.700 0.059 0.000 2.474 377 S HA -0.024 4.467 4.470 0.034 0.000 0.235 377 S C 1.555 176.206 174.600 0.085 0.000 0.997 377 S CA 1.030 59.268 58.200 0.062 0.000 0.949 377 S CB 0.160 63.381 63.200 0.036 0.000 0.766 377 S HN 0.614 nan 8.310 nan 0.000 0.517 378 A N -0.511 122.373 122.820 0.106 0.000 2.308 378 A HA 0.275 4.615 4.320 0.034 0.000 0.217 378 A C 1.405 179.099 177.584 0.182 0.000 1.216 378 A CA -0.247 51.865 52.037 0.125 0.000 0.864 378 A CB -0.422 18.651 19.000 0.121 0.000 0.902 378 A HN 0.522 nan 8.150 nan 0.000 0.499 379 Y N 0.363 120.698 120.300 0.058 0.000 2.070 379 Y HA -0.225 4.347 4.550 0.036 0.000 0.279 379 Y C 1.790 177.741 175.900 0.086 0.000 1.134 379 Y CA 2.193 60.317 58.100 0.040 0.000 1.113 379 Y CB -0.378 38.077 38.460 -0.008 0.000 0.981 379 Y HN 0.249 nan 8.280 nan 0.000 0.487 380 I N 0.465 120.979 120.570 -0.094 0.000 2.335 380 I HA -0.250 3.940 4.170 0.034 0.000 0.251 380 I C 2.357 178.375 176.117 -0.165 0.000 1.129 380 I CA 2.373 63.538 61.300 -0.225 0.000 1.402 380 I CB -0.709 37.291 38.000 -0.001 0.000 1.069 380 I HN 0.602 nan 8.210 nan 0.000 0.424 381 T N -3.220 111.295 114.554 -0.064 0.000 3.081 381 T HA -0.033 4.338 4.350 0.034 0.000 0.250 381 T C 0.740 175.412 174.700 -0.047 0.000 1.100 381 T CA -0.171 61.900 62.100 -0.049 0.000 1.038 381 T CB -0.712 68.140 68.868 -0.026 0.000 0.962 381 T HN 0.191 nan 8.240 nan 0.000 0.516 382 Y N 3.100 123.312 120.300 -0.145 0.000 2.496 382 Y HA 0.471 5.042 4.550 0.035 0.000 0.334 382 Y C 0.697 176.528 175.900 -0.116 0.000 1.080 382 Y CA -1.315 56.718 58.100 -0.112 0.000 1.355 382 Y CB 0.070 38.457 38.460 -0.120 0.000 1.193 382 Y HN 0.371 nan 8.280 nan 0.000 0.523 383 A N 5.790 128.347 122.820 -0.438 0.000 2.546 383 A HA -0.001 4.339 4.320 0.034 0.000 0.243 383 A C 0.264 177.910 177.584 0.102 0.000 1.063 383 A CA -0.378 51.564 52.037 -0.157 0.000 0.757 383 A CB -0.240 18.629 19.000 -0.218 0.000 0.991 383 A HN 0.861 nan 8.150 nan 0.000 0.503 384 N N 1.093 119.852 118.700 0.098 0.000 2.412 384 N HA 0.136 4.896 4.740 0.034 0.000 0.254 384 N C -0.876 174.721 175.510 0.145 0.000 1.232 384 N CA 0.452 53.578 53.050 0.127 0.000 0.880 384 N CB 0.559 39.078 38.487 0.053 0.000 1.076 384 N HN 0.653 nan 8.380 nan 0.000 0.458 385 D N 1.520 122.043 120.400 0.206 0.000 2.471 385 D HA 0.418 5.078 4.640 0.034 0.000 0.245 385 D C -1.278 175.193 176.300 0.285 0.000 1.116 385 D CA -0.627 53.503 54.000 0.217 0.000 0.853 385 D CB 0.914 41.855 40.800 0.235 0.000 1.123 385 D HN 0.522 nan 8.370 nan 0.000 0.540 386 A N 3.768 126.722 122.820 0.223 0.000 2.376 386 A HA 0.379 4.719 4.320 0.034 0.000 0.298 386 A C 0.457 178.251 177.584 0.350 0.000 1.271 386 A CA -0.577 51.618 52.037 0.263 0.000 0.926 386 A CB -0.681 18.490 19.000 0.285 0.000 1.141 386 A HN 0.647 nan 8.150 nan 0.000 0.539 387 F N 1.552 121.652 119.950 0.250 0.000 2.717 387 F HA 0.463 5.009 4.527 0.033 0.000 0.295 387 F C -0.007 175.962 175.800 0.282 0.000 1.117 387 F CA -0.614 57.528 58.000 0.236 0.000 1.361 387 F CB -0.123 38.988 39.000 0.184 0.000 1.112 387 F HN 0.480 nan 8.300 nan 0.000 0.594 388 Y N 1.639 121.668 120.300 -0.452 0.000 2.562 388 Y HA 0.626 5.198 4.550 0.036 0.000 0.345 388 Y C -1.078 174.718 175.900 -0.173 0.000 1.045 388 Y CA -0.897 57.065 58.100 -0.231 0.000 1.028 388 Y CB 1.819 40.078 38.460 -0.335 0.000 1.297 388 Y HN 0.122 nan 8.280 nan 0.000 0.463 389 T N 1.670 115.532 114.554 -1.153 0.000 2.868 389 T HA 0.728 5.099 4.350 0.034 0.000 0.306 389 T C -1.541 172.583 174.700 -0.959 0.000 1.224 389 T CA -0.546 61.064 62.100 -0.817 0.000 1.012 389 T CB 2.396 70.973 68.868 -0.485 0.000 1.221 389 T HN 0.824 nan 8.240 nan 0.000 0.499 390 D N -1.054 119.046 120.400 -0.501 0.000 2.759 390 D HA 0.470 5.131 4.640 0.034 0.000 0.321 390 D C 0.967 177.173 176.300 -0.157 0.000 1.267 390 D CA -0.704 53.140 54.000 -0.261 0.000 0.933 390 D CB 0.866 41.627 40.800 -0.065 0.000 1.431 390 D HN 0.342 nan 8.370 nan 0.000 0.504 391 S N -1.471 114.171 115.700 -0.097 0.000 2.440 391 S HA -0.066 4.425 4.470 0.034 0.000 0.238 391 S C 0.525 175.081 174.600 -0.073 0.000 1.010 391 S CA 1.109 59.259 58.200 -0.083 0.000 0.972 391 S CB -0.583 62.584 63.200 -0.055 0.000 0.774 391 S HN 0.461 nan 8.310 nan 0.000 0.501 392 N N -0.146 118.531 118.700 -0.037 0.000 2.118 392 N HA 0.128 4.888 4.740 0.034 0.000 0.226 392 N C -0.828 174.704 175.510 0.037 0.000 1.305 392 N CA 0.127 53.168 53.050 -0.014 0.000 0.890 392 N CB 1.522 40.028 38.487 0.032 0.000 1.118 392 N HN 0.205 nan 8.380 nan 0.000 0.511 393 T N 0.865 115.446 114.554 0.044 0.000 2.909 393 T HA 0.607 4.977 4.350 0.034 0.000 0.299 393 T C -0.713 174.020 174.700 0.054 0.000 1.073 393 T CA -0.510 61.663 62.100 0.121 0.000 0.999 393 T CB 2.649 71.681 68.868 0.273 0.000 1.098 393 T HN 0.029 nan 8.240 nan 0.000 0.477 394 I N 1.379 122.030 120.570 0.134 0.000 2.607 394 I HA 0.726 4.916 4.170 0.034 0.000 0.290 394 I C -1.496 174.706 176.117 0.143 0.000 1.129 394 I CA -0.817 60.548 61.300 0.109 0.000 1.042 394 I CB 1.240 39.337 38.000 0.162 0.000 1.242 394 I HN 0.880 nan 8.210 nan 0.000 0.421 395 A N 8.313 131.143 122.820 0.016 0.000 2.343 395 A HA 0.906 5.246 4.320 0.034 0.000 0.316 395 A C -1.021 176.419 177.584 -0.240 0.000 1.104 395 A CA -0.594 51.354 52.037 -0.149 0.000 0.768 395 A CB 1.377 20.143 19.000 -0.391 0.000 1.213 395 A HN 0.736 nan 8.150 nan 0.000 0.456 396 M N 1.510 121.163 119.600 0.088 0.000 2.518 396 M HA 0.676 5.176 4.480 0.034 0.000 0.300 396 M C -0.275 176.310 176.300 0.474 0.000 1.175 396 M CA -0.404 55.066 55.300 0.284 0.000 0.890 396 M CB 2.585 35.315 32.600 0.216 0.000 1.710 396 M HN 0.800 nan 8.290 nan 0.000 0.453 397 A N 2.433 125.540 122.820 0.479 0.000 2.365 397 A HA 0.900 5.241 4.320 0.034 0.000 0.318 397 A C -1.189 176.486 177.584 0.152 0.000 1.091 397 A CA -0.632 51.562 52.037 0.262 0.000 0.763 397 A CB 1.516 20.547 19.000 0.052 0.000 1.248 397 A HN 0.805 nan 8.150 nan 0.000 0.442 398 K N 1.489 121.919 120.400 0.049 0.000 2.565 398 K HA 0.575 4.916 4.320 0.034 0.000 0.251 398 K C -0.473 176.020 176.600 -0.178 0.000 0.956 398 K CA 0.307 56.572 56.287 -0.037 0.000 0.809 398 K CB 1.781 34.319 32.500 0.063 0.000 1.267 398 K HN 2.262 nan 8.250 nan 0.000 0.438 399 G N 1.260 109.586 108.800 -0.790 0.000 2.357 399 G HA2 -0.076 3.904 3.960 0.034 0.000 0.643 399 G HA3 -0.076 3.904 3.960 0.034 0.000 0.643 399 G C -0.986 173.396 174.900 -0.863 0.000 1.358 399 G CA -0.964 43.826 45.100 -0.515 0.000 0.986 399 G HN 0.455 nan 8.290 nan 0.000 0.620 400 T N 1.724 116.064 114.554 -0.357 0.000 2.946 400 T HA 0.415 4.785 4.350 0.034 0.000 0.311 400 T C 1.181 175.767 174.700 -0.191 0.000 1.063 400 T CA 0.757 62.758 62.100 -0.164 0.000 1.139 400 T CB 0.544 69.400 68.868 -0.020 0.000 0.994 400 T HN 0.992 nan 8.240 nan 0.000 0.547 401 S N 2.189 117.810 115.700 -0.132 0.000 2.563 401 S HA 0.350 4.840 4.470 0.034 0.000 0.294 401 S C 1.647 176.172 174.600 -0.125 0.000 1.279 401 S CA 0.396 58.497 58.200 -0.165 0.000 1.069 401 S CB 0.170 63.310 63.200 -0.100 0.000 0.828 401 S HN 1.183 nan 8.310 nan 0.000 0.497 402 G N 2.126 110.823 108.800 -0.172 0.000 2.213 402 G HA2 -0.249 3.731 3.960 0.034 0.000 0.236 402 G HA3 -0.249 3.731 3.960 0.034 0.000 0.236 402 G C 0.693 175.659 174.900 0.109 0.000 0.991 402 G CA 0.340 45.442 45.100 0.004 0.000 0.629 402 G HN 0.669 nan 8.290 nan 0.000 0.517 403 S N 0.565 116.254 115.700 -0.020 0.000 2.679 403 S HA 0.180 4.670 4.470 0.034 0.000 0.258 403 S C 0.964 175.564 174.600 0.001 0.000 1.068 403 S CA 0.511 58.730 58.200 0.032 0.000 1.115 403 S CB 0.267 63.456 63.200 -0.019 0.000 1.078 403 S HN 0.822 nan 8.310 nan 0.000 0.603 404 Q N 1.782 121.489 119.800 -0.156 0.000 2.354 404 Q HA 0.054 4.414 4.340 0.034 0.000 0.310 404 Q C -0.275 175.745 176.000 0.032 0.000 1.104 404 Q CA 0.609 56.322 55.803 -0.151 0.000 0.968 404 Q CB 0.170 28.700 28.738 -0.346 0.000 1.251 404 Q HN 0.115 nan 8.270 nan 0.000 0.411 405 V N 3.344 123.293 119.914 0.059 0.000 2.509 405 V HA 0.326 4.467 4.120 0.034 0.000 0.284 405 V C 0.231 176.416 176.094 0.151 0.000 1.047 405 V CA -0.582 61.772 62.300 0.089 0.000 0.952 405 V CB 1.077 32.935 31.823 0.057 0.000 0.988 405 V HN 0.657 nan 8.190 nan 0.000 0.469 406 I N 3.523 124.202 120.570 0.182 0.000 2.378 406 I HA 0.436 4.626 4.170 0.034 0.000 0.291 406 I C 0.218 176.467 176.117 0.219 0.000 0.992 406 I CA 0.296 61.749 61.300 0.255 0.000 1.154 406 I CB 2.050 40.238 38.000 0.313 0.000 1.315 406 I HN 0.590 nan 8.210 nan 0.000 0.448 407 T N 5.634 120.331 114.554 0.239 0.000 2.792 407 T HA 0.611 4.981 4.350 0.034 0.000 0.280 407 T C -0.537 174.288 174.700 0.210 0.000 0.990 407 T CA -0.553 61.672 62.100 0.209 0.000 0.960 407 T CB 1.443 70.426 68.868 0.192 0.000 0.939 407 T HN 0.178 nan 8.240 nan 0.000 0.439 408 V N 4.750 124.786 119.914 0.203 0.000 2.407 408 V HA 0.498 4.638 4.120 0.034 0.000 0.291 408 V C -0.923 175.297 176.094 0.211 0.000 1.018 408 V CA -0.907 61.504 62.300 0.185 0.000 0.842 408 V CB 1.308 33.219 31.823 0.146 0.000 0.996 408 V HN 0.582 nan 8.190 nan 0.000 0.426 409 L N 3.398 124.769 121.223 0.245 0.000 2.334 409 L HA 0.780 5.141 4.340 0.034 0.000 0.276 409 L C 0.106 177.178 176.870 0.336 0.000 1.014 409 L CA 0.135 55.157 54.840 0.304 0.000 0.815 409 L CB 1.938 44.230 42.059 0.389 0.000 1.268 409 L HN 0.739 nan 8.230 nan 0.000 0.428 410 S N 1.354 117.277 115.700 0.370 0.000 2.571 410 S HA 0.427 4.917 4.470 0.034 0.000 0.284 410 S C 0.050 174.863 174.600 0.355 0.000 1.128 410 S CA -0.703 57.678 58.200 0.300 0.000 0.970 410 S CB 0.720 64.051 63.200 0.219 0.000 1.039 410 S HN 0.776 nan 8.310 nan 0.000 0.485 411 N N 3.210 122.005 118.700 0.158 0.000 2.279 411 N HA 0.191 4.951 4.740 0.034 0.000 0.226 411 N C 0.752 176.323 175.510 0.102 0.000 1.126 411 N CA -0.550 52.566 53.050 0.110 0.000 0.846 411 N CB 0.241 38.603 38.487 -0.209 0.000 1.050 411 N HN 0.425 nan 8.380 nan 0.000 0.502 412 K N 0.667 121.141 120.400 0.124 0.000 2.211 412 K HA 0.036 4.376 4.320 0.034 0.000 0.203 412 K C 1.017 177.675 176.600 0.095 0.000 1.050 412 K CA 0.875 57.222 56.287 0.100 0.000 0.945 412 K CB -0.120 32.454 32.500 0.123 0.000 0.732 412 K HN 0.429 nan 8.250 nan 0.000 0.451 413 G N -0.106 108.762 108.800 0.113 0.000 2.685 413 G HA2 -0.234 3.747 3.960 0.034 0.000 0.387 413 G HA3 -0.234 3.747 3.960 0.034 0.000 0.387 413 G C 0.430 175.377 174.900 0.079 0.000 1.324 413 G CA -0.270 44.891 45.100 0.101 0.000 0.878 413 G HN 0.005 nan 8.290 nan 0.000 0.527 414 S N -0.488 115.254 115.700 0.071 0.000 2.419 414 S HA -0.160 4.330 4.470 0.034 0.000 0.235 414 S C 2.772 177.402 174.600 0.051 0.000 1.019 414 S CA 2.418 60.651 58.200 0.055 0.000 0.982 414 S CB -0.390 62.846 63.200 0.060 0.000 0.789 414 S HN 1.744 nan 8.310 nan 0.000 0.490 415 S N 0.786 116.519 115.700 0.056 0.000 2.370 415 S HA -0.017 4.473 4.470 0.034 0.000 0.226 415 S C 1.768 176.403 174.600 0.059 0.000 1.033 415 S CA 1.822 60.052 58.200 0.050 0.000 1.011 415 S CB -1.099 62.128 63.200 0.046 0.000 0.852 415 S HN 0.744 nan 8.310 nan 0.000 0.457 416 G N 1.070 109.914 108.800 0.075 0.000 2.702 416 G HA2 -0.383 3.597 3.960 0.034 0.000 0.342 416 G HA3 -0.383 3.597 3.960 0.034 0.000 0.342 416 G C 0.314 175.282 174.900 0.114 0.000 1.258 416 G CA 1.596 46.756 45.100 0.100 0.000 0.990 416 G HN 2.294 nan 8.290 nan 0.000 0.548 417 S N -2.701 113.071 115.700 0.120 0.000 2.663 417 S HA 0.237 4.728 4.470 0.034 0.000 0.854 417 S C -0.441 174.300 174.600 0.235 0.000 0.745 417 S CA 0.668 58.949 58.200 0.135 0.000 1.605 417 S CB -1.158 62.105 63.200 0.106 0.000 1.155 417 S HN 2.157 nan 8.310 nan 0.000 0.330 418 S N 4.974 120.774 115.700 0.166 0.000 2.510 418 S HA 0.656 5.146 4.470 0.034 0.000 0.279 418 S C -0.118 174.623 174.600 0.234 0.000 1.284 418 S CA 0.335 58.620 58.200 0.141 0.000 1.059 418 S CB -0.222 63.026 63.200 0.079 0.000 0.901 418 S HN 1.499 nan 8.310 nan 0.000 0.491 419 Y N -0.891 119.428 120.300 0.031 0.000 2.670 419 Y HA 0.750 5.319 4.550 0.033 0.000 0.334 419 Y C -0.544 175.373 175.900 0.028 0.000 1.185 419 Y CA -1.451 56.666 58.100 0.028 0.000 1.053 419 Y CB 0.630 39.108 38.460 0.028 0.000 1.298 419 Y HN 0.493 nan 8.280 nan 0.000 0.459 420 T N 0.723 115.350 114.554 0.122 0.000 2.829 420 T HA 0.652 5.022 4.350 0.034 0.000 0.280 420 T C -1.321 173.415 174.700 0.060 0.000 0.999 420 T CA -0.637 61.433 62.100 -0.051 0.000 0.983 420 T CB 1.375 70.235 68.868 -0.014 0.000 0.968 420 T HN 1.034 nan 8.240 nan 0.000 0.446 421 L N 2.960 124.134 121.223 -0.082 0.000 2.317 421 L HA 0.721 5.081 4.340 0.034 0.000 0.281 421 L C -0.208 176.652 176.870 -0.016 0.000 1.024 421 L CA -0.208 54.656 54.840 0.041 0.000 0.810 421 L CB 1.961 44.037 42.059 0.028 0.000 1.240 421 L HN 0.854 nan 8.230 nan 0.000 0.427 422 T N 5.819 120.363 114.554 -0.016 0.000 3.029 422 T HA 0.337 4.708 4.350 0.034 0.000 0.346 422 T C -0.291 174.356 174.700 -0.089 0.000 1.211 422 T CA -0.300 61.784 62.100 -0.027 0.000 1.009 422 T CB 0.196 69.064 68.868 0.001 0.000 1.084 422 T HN 0.375 nan 8.240 nan 0.000 0.536 423 L N 3.422 124.593 121.223 -0.086 0.000 2.385 423 L HA 0.393 4.754 4.340 0.034 0.000 0.281 423 L C 0.443 177.353 176.870 0.066 0.000 1.106 423 L CA 0.309 55.106 54.840 -0.070 0.000 0.856 423 L CB 0.331 42.418 42.059 0.046 0.000 1.186 423 L HN 0.513 nan 8.230 nan 0.000 0.453 424 S N 2.594 118.339 115.700 0.076 0.000 2.608 424 S HA 0.707 5.198 4.470 0.034 0.000 0.291 424 S C 0.769 175.555 174.600 0.309 0.000 1.146 424 S CA 0.159 58.444 58.200 0.141 0.000 1.043 424 S CB 1.240 64.502 63.200 0.105 0.000 1.037 424 S HN 1.078 nan 8.310 nan 0.000 0.520 425 G N 1.555 110.449 108.800 0.156 0.000 2.176 425 G HA2 -0.288 3.693 3.960 0.034 0.000 0.232 425 G HA3 -0.288 3.693 3.960 0.034 0.000 0.232 425 G C 1.062 175.676 174.900 -0.477 0.000 0.986 425 G CA 0.957 46.084 45.100 0.045 0.000 0.643 425 G HN 1.269 nan 8.290 nan 0.000 0.522 426 S N 0.204 115.614 115.700 -0.484 0.000 2.442 426 S HA 0.302 4.792 4.470 0.034 0.000 0.236 426 S C 2.500 176.845 174.600 -0.424 0.000 1.007 426 S CA 1.940 59.769 58.200 -0.618 0.000 0.965 426 S CB -0.320 62.791 63.200 -0.147 0.000 0.773 426 S HN 2.466 nan 8.310 nan 0.000 0.504 427 G N -0.763 107.886 108.800 -0.251 0.000 2.159 427 G HA2 -0.258 3.723 3.960 0.034 0.000 0.256 427 G HA3 -0.258 3.723 3.960 0.034 0.000 0.256 427 G C -0.133 174.648 174.900 -0.198 0.000 0.977 427 G CA 0.437 45.407 45.100 -0.218 0.000 0.652 427 G HN 0.558 nan 8.290 nan 0.000 0.531 428 Y N 1.764 122.005 120.300 -0.099 0.000 2.352 428 Y HA 0.581 5.152 4.550 0.034 0.000 0.326 428 Y C 1.370 177.242 175.900 -0.046 0.000 1.166 428 Y CA 0.110 58.169 58.100 -0.067 0.000 1.182 428 Y CB 1.445 39.867 38.460 -0.063 0.000 1.216 428 Y HN 0.253 nan 8.280 nan 0.000 0.474 429 T N -1.504 113.157 114.554 0.179 0.000 2.944 429 T HA 0.299 4.669 4.350 0.034 0.000 0.284 429 T C 0.151 174.882 174.700 0.052 0.000 1.010 429 T CA -1.108 61.042 62.100 0.083 0.000 1.025 429 T CB 1.227 70.126 68.868 0.051 0.000 1.079 429 T HN 0.554 nan 8.240 nan 0.000 0.516 430 S N 0.327 116.046 115.700 0.032 0.000 2.702 430 S HA 0.319 4.809 4.470 0.034 0.000 0.314 430 S C 1.692 176.292 174.600 0.001 0.000 1.244 430 S CA 1.258 59.467 58.200 0.014 0.000 1.058 430 S CB -1.055 62.153 63.200 0.013 0.000 0.783 430 S HN 1.851 nan 8.310 nan 0.000 0.503 431 G N 3.466 112.258 108.800 -0.014 0.000 2.179 431 G HA2 -0.254 3.727 3.960 0.034 0.000 0.260 431 G HA3 -0.254 3.727 3.960 0.034 0.000 0.260 431 G C 0.232 175.103 174.900 -0.047 0.000 0.977 431 G CA 0.374 45.458 45.100 -0.026 0.000 0.641 431 G HN 0.885 nan 8.290 nan 0.000 0.533 432 T N 2.149 116.664 114.554 -0.064 0.000 2.916 432 T HA 0.442 4.812 4.350 0.034 0.000 0.303 432 T C 0.321 174.920 174.700 -0.169 0.000 1.025 432 T CA 0.231 62.256 62.100 -0.124 0.000 1.142 432 T CB 1.126 69.877 68.868 -0.196 0.000 0.947 432 T HN 0.130 nan 8.240 nan 0.000 0.544 433 K N 3.767 124.067 120.400 -0.166 0.000 2.240 433 K HA 0.509 4.850 4.320 0.034 0.000 0.271 433 K C -0.336 176.142 176.600 -0.204 0.000 1.018 433 K CA -0.334 55.862 56.287 -0.152 0.000 0.874 433 K CB 0.987 33.426 32.500 -0.102 0.000 1.098 433 K HN 0.504 nan 8.250 nan 0.000 0.458 434 L N 3.219 124.321 121.223 -0.201 0.000 2.303 434 L HA 0.625 4.985 4.340 0.034 0.000 0.266 434 L C -0.027 176.770 176.870 -0.123 0.000 1.011 434 L CA -1.151 53.571 54.840 -0.197 0.000 0.818 434 L CB 1.484 43.404 42.059 -0.231 0.000 1.326 434 L HN 0.364 nan 8.230 nan 0.000 0.435 435 I N 1.002 121.507 120.570 -0.108 0.000 2.499 435 I HA 0.233 4.423 4.170 0.034 0.000 0.288 435 I C -0.474 175.596 176.117 -0.079 0.000 1.048 435 I CA -0.585 60.664 61.300 -0.085 0.000 1.062 435 I CB 2.270 40.218 38.000 -0.087 0.000 1.238 435 I HN 0.547 nan 8.210 nan 0.000 0.426 436 E N 5.144 125.311 120.200 -0.055 0.000 2.129 436 E HA 0.267 4.638 4.350 0.034 0.000 0.283 436 E C 0.533 177.091 176.600 -0.070 0.000 1.080 436 E CA -0.074 56.304 56.400 -0.036 0.000 0.867 436 E CB 1.703 31.406 29.700 0.004 0.000 1.056 436 E HN 0.780 nan 8.360 nan 0.000 0.404 437 A N 5.092 127.818 122.820 -0.156 0.000 2.015 437 A HA -0.164 4.177 4.320 0.034 0.000 0.219 437 A C 1.288 178.713 177.584 -0.266 0.000 1.163 437 A CA 0.946 52.830 52.037 -0.254 0.000 0.646 437 A CB -0.366 18.405 19.000 -0.382 0.000 0.806 437 A HN 0.674 nan 8.150 nan 0.000 0.448 438 Y N -0.890 119.361 120.300 -0.082 0.000 2.395 438 Y HA 0.016 4.585 4.550 0.033 0.000 0.293 438 Y C 2.471 178.364 175.900 -0.012 0.000 1.123 438 Y CA 1.581 59.636 58.100 -0.074 0.000 1.227 438 Y CB -0.105 38.354 38.460 -0.002 0.000 1.012 438 Y HN 0.241 nan 8.280 nan 0.000 0.552 439 T N -2.647 111.978 114.554 0.117 0.000 3.003 439 T HA 0.096 4.466 4.350 0.034 0.000 0.261 439 T C 0.567 175.283 174.700 0.028 0.000 1.003 439 T CA 0.472 62.620 62.100 0.080 0.000 0.917 439 T CB -0.382 68.540 68.868 0.091 0.000 1.084 439 T HN 0.323 nan 8.240 nan 0.000 0.522 440 c N 3.014 121.613 118.600 -0.002 0.000 4.356 440 c HA -0.130 4.460 4.570 0.034 0.000 0.296 440 c C 0.709 174.786 174.090 -0.021 0.000 1.424 440 c CA 0.117 56.430 56.329 -0.027 0.000 2.000 440 c CB -3.073 39.421 42.510 -0.026 0.000 1.262 440 c HN 0.490 nan 8.230 nan 0.000 0.789 441 T N 1.780 116.325 114.554 -0.014 0.000 2.749 441 T HA 0.362 4.732 4.350 0.034 0.000 0.295 441 T C 0.474 175.157 174.700 -0.029 0.000 0.936 441 T CA 0.318 62.410 62.100 -0.015 0.000 1.060 441 T CB 1.027 69.892 68.868 -0.005 0.000 0.904 441 T HN 0.459 nan 8.240 nan 0.000 0.500 442 S N 2.764 118.445 115.700 -0.032 0.000 2.499 442 S HA 0.559 5.049 4.470 0.034 0.000 0.279 442 S C 0.218 174.793 174.600 -0.043 0.000 1.219 442 S CA -0.857 57.317 58.200 -0.044 0.000 1.062 442 S CB 0.765 63.939 63.200 -0.044 0.000 0.978 442 S HN 0.674 nan 8.310 nan 0.000 0.489 443 V N 1.170 121.051 119.914 -0.055 0.000 3.040 443 V HA 0.838 4.979 4.120 0.034 0.000 0.312 443 V C -0.424 175.629 176.094 -0.068 0.000 1.115 443 V CA -0.661 61.608 62.300 -0.051 0.000 0.998 443 V CB 1.966 33.764 31.823 -0.041 0.000 1.042 443 V HN 0.659 nan 8.190 nan 0.000 0.433 444 T N 2.293 116.813 114.554 -0.057 0.000 2.829 444 T HA 0.613 4.983 4.350 0.034 0.000 0.280 444 T C -0.208 174.459 174.700 -0.055 0.000 0.999 444 T CA -0.404 61.658 62.100 -0.064 0.000 0.983 444 T CB 1.620 70.461 68.868 -0.045 0.000 0.968 444 T HN 0.764 nan 8.240 nan 0.000 0.446 445 V N 3.134 123.009 119.914 -0.064 0.000 2.715 445 V HA 0.068 4.209 4.120 0.034 0.000 0.299 445 V C 0.852 176.939 176.094 -0.012 0.000 1.054 445 V CA -0.342 61.939 62.300 -0.031 0.000 1.077 445 V CB 0.486 32.291 31.823 -0.030 0.000 0.972 445 V HN 0.859 nan 8.190 nan 0.000 0.484 446 D N 2.371 122.771 120.400 -0.001 0.000 2.405 446 D HA -0.059 4.601 4.640 0.034 0.000 0.232 446 D C 1.305 177.610 176.300 0.008 0.000 1.240 446 D CA 1.068 55.071 54.000 0.005 0.000 0.881 446 D CB 0.501 41.309 40.800 0.013 0.000 1.222 446 D HN 0.738 nan 8.370 nan 0.000 0.482 447 S N -0.944 114.761 115.700 0.009 0.000 2.496 447 S HA -0.102 4.388 4.470 0.034 0.000 0.224 447 S C 1.718 176.326 174.600 0.014 0.000 0.996 447 S CA 0.564 58.770 58.200 0.010 0.000 0.927 447 S CB -0.062 63.143 63.200 0.008 0.000 0.774 447 S HN 0.455 nan 8.310 nan 0.000 0.524 448 S N 0.916 116.626 115.700 0.017 0.000 2.528 448 S HA 0.411 4.901 4.470 0.034 0.000 0.219 448 S C 1.535 176.150 174.600 0.025 0.000 0.985 448 S CA 0.587 58.799 58.200 0.021 0.000 0.914 448 S CB -0.335 62.878 63.200 0.022 0.000 0.776 448 S HN 1.214 nan 8.310 nan 0.000 0.526 449 G N 0.486 109.302 108.800 0.026 0.000 2.144 449 G HA2 -0.156 3.824 3.960 0.034 0.000 0.218 449 G HA3 -0.156 3.824 3.960 0.034 0.000 0.218 449 G C -0.624 174.301 174.900 0.040 0.000 0.988 449 G CA -0.058 45.062 45.100 0.034 0.000 0.659 449 G HN 0.581 nan 8.290 nan 0.000 0.522 450 D N -0.129 120.292 120.400 0.034 0.000 2.225 450 D HA 0.603 5.263 4.640 0.034 0.000 0.249 450 D C 0.674 176.991 176.300 0.028 0.000 1.052 450 D CA -0.109 53.912 54.000 0.035 0.000 0.909 450 D CB 1.260 42.076 40.800 0.026 0.000 1.186 450 D HN 0.227 nan 8.370 nan 0.000 0.431 451 I N 3.437 124.029 120.570 0.037 0.000 2.307 451 I HA 0.230 4.420 4.170 0.034 0.000 0.289 451 I C -2.173 173.950 176.117 0.010 0.000 1.021 451 I CA -2.097 59.218 61.300 0.026 0.000 1.224 451 I CB 1.345 39.380 38.000 0.060 0.000 1.376 451 I HN 0.062 nan 8.210 nan 0.000 0.470 452 P HA 0.135 nan 4.420 nan 0.000 0.279 452 P C -0.534 176.755 177.300 -0.017 0.000 1.318 452 P CA -0.137 62.959 63.100 -0.007 0.000 0.819 452 P CB 0.638 32.334 31.700 -0.006 0.000 0.927 453 V N 6.851 126.747 119.914 -0.031 0.000 2.350 453 V HA 0.281 4.421 4.120 0.034 0.000 0.276 453 V C -1.859 174.178 176.094 -0.096 0.000 1.028 453 V CA -2.138 60.137 62.300 -0.043 0.000 0.860 453 V CB 1.329 33.136 31.823 -0.027 0.000 0.990 453 V HN 0.441 nan 8.190 nan 0.000 0.453 454 P HA 0.231 nan 4.420 nan 0.000 0.275 454 P C -0.797 176.422 177.300 -0.136 0.000 1.276 454 P CA -0.084 62.961 63.100 -0.092 0.000 0.782 454 P CB 0.656 32.334 31.700 -0.037 0.000 0.851 455 M N 3.141 122.575 119.600 -0.277 0.000 2.268 455 M HA 0.685 5.185 4.480 0.034 0.000 0.344 455 M C 0.086 176.286 176.300 -0.167 0.000 1.106 455 M CA -0.666 54.442 55.300 -0.320 0.000 1.010 455 M CB 1.838 33.960 32.600 -0.797 0.000 1.649 455 M HN 0.327 nan 8.290 nan 0.000 0.443 456 A N 1.618 124.406 122.820 -0.054 0.000 2.549 456 A HA 0.665 5.005 4.320 0.034 0.000 0.297 456 A C 0.263 177.868 177.584 0.034 0.000 1.061 456 A CA -0.650 51.394 52.037 0.011 0.000 0.690 456 A CB 0.916 19.923 19.000 0.012 0.000 1.287 456 A HN 0.873 nan 8.150 nan 0.000 0.402 457 S N 0.443 116.174 115.700 0.052 0.000 3.368 457 S HA -0.143 4.348 4.470 0.034 0.000 0.381 457 S C 1.304 175.929 174.600 0.042 0.000 0.975 457 S CA 1.800 60.027 58.200 0.045 0.000 1.199 457 S CB -1.833 61.378 63.200 0.020 0.000 0.902 457 S HN 2.720 nan 8.310 nan 0.000 0.472 458 G N -0.864 107.980 108.800 0.073 0.000 2.422 458 G HA2 -0.257 3.724 3.960 0.034 0.000 0.301 458 G HA3 -0.257 3.724 3.960 0.034 0.000 0.301 458 G C -0.084 174.850 174.900 0.057 0.000 0.981 458 G CA 0.367 45.523 45.100 0.094 0.000 0.994 458 G HN 0.560 nan 8.290 nan 0.000 0.514 459 L N 0.368 121.604 121.223 0.020 0.000 2.357 459 L HA 0.600 4.961 4.340 0.034 0.000 0.273 459 L C -1.555 175.340 176.870 0.042 0.000 1.080 459 L CA -2.567 52.252 54.840 -0.035 0.000 0.803 459 L CB 1.029 43.063 42.059 -0.043 0.000 1.174 459 L HN -0.074 nan 8.230 nan 0.000 0.443 460 P HA 0.213 nan 4.420 nan 0.000 0.269 460 P C -1.072 176.379 177.300 0.251 0.000 1.215 460 P CA -0.241 62.964 63.100 0.174 0.000 0.780 460 P CB 0.473 32.321 31.700 0.246 0.000 0.898 461 R N 0.911 121.575 120.500 0.273 0.000 2.628 461 R HA 0.646 5.006 4.340 0.034 0.000 0.288 461 R C -1.272 175.182 176.300 0.256 0.000 0.980 461 R CA -1.013 55.252 56.100 0.275 0.000 0.891 461 R CB 1.075 31.468 30.300 0.155 0.000 1.188 461 R HN 0.180 nan 8.270 nan 0.000 0.450 462 V N 4.008 124.039 119.914 0.196 0.000 2.577 462 V HA 0.526 4.666 4.120 0.034 0.000 0.303 462 V C -0.596 175.501 176.094 0.005 0.000 1.042 462 V CA -0.821 61.526 62.300 0.078 0.000 0.872 462 V CB 2.035 33.843 31.823 -0.026 0.000 0.998 462 V HN 0.486 nan 8.190 nan 0.000 0.423 463 L N 5.758 127.001 121.223 0.033 0.000 2.346 463 L HA 0.715 5.075 4.340 0.034 0.000 0.274 463 L C -0.534 176.332 176.870 -0.006 0.000 1.007 463 L CA -0.226 54.613 54.840 -0.002 0.000 0.818 463 L CB 1.853 43.924 42.059 0.020 0.000 1.284 463 L HN 0.389 nan 8.230 nan 0.000 0.424 464 L N 1.259 122.445 121.223 -0.061 0.000 2.327 464 L HA 0.665 5.025 4.340 0.034 0.000 0.258 464 L C -2.585 174.226 176.870 -0.097 0.000 1.024 464 L CA -2.130 52.674 54.840 -0.059 0.000 0.825 464 L CB 1.609 43.607 42.059 -0.101 0.000 1.386 464 L HN 0.243 nan 8.230 nan 0.000 0.417 465 P HA 0.009 nan 4.420 nan 0.000 0.265 465 P C 0.358 177.592 177.300 -0.111 0.000 1.187 465 P CA 0.269 63.296 63.100 -0.121 0.000 0.766 465 P CB 0.764 32.435 31.700 -0.048 0.000 0.820 466 A N 2.918 125.667 122.820 -0.119 0.000 1.978 466 A HA -0.197 4.143 4.320 0.034 0.000 0.220 466 A C 2.432 179.968 177.584 -0.079 0.000 1.170 466 A CA 2.174 54.153 52.037 -0.096 0.000 0.636 466 A CB -1.486 17.461 19.000 -0.089 0.000 0.810 466 A HN 0.534 nan 8.150 nan 0.000 0.448 467 S N -0.685 114.971 115.700 -0.073 0.000 2.374 467 S HA -0.156 4.334 4.470 0.034 0.000 0.227 467 S C 1.882 176.446 174.600 -0.060 0.000 1.037 467 S CA 1.855 60.019 58.200 -0.059 0.000 1.024 467 S CB -0.429 62.740 63.200 -0.052 0.000 0.861 467 S HN 0.351 nan 8.310 nan 0.000 0.456 468 V N 0.909 120.782 119.914 -0.069 0.000 2.323 468 V HA -0.052 4.088 4.120 0.034 0.000 0.244 468 V C 2.407 178.449 176.094 -0.086 0.000 1.041 468 V CA 1.522 63.776 62.300 -0.077 0.000 1.025 468 V CB -0.638 31.134 31.823 -0.086 0.000 0.656 468 V HN 0.401 nan 8.190 nan 0.000 0.451 469 V N 0.216 120.074 119.914 -0.092 0.000 2.427 469 V HA -0.216 3.925 4.120 0.034 0.000 0.248 469 V C 2.205 178.250 176.094 -0.082 0.000 1.051 469 V CA 1.924 64.165 62.300 -0.098 0.000 1.048 469 V CB -0.704 31.055 31.823 -0.105 0.000 0.666 469 V HN 0.515 nan 8.190 nan 0.000 0.456 470 D N 0.356 120.713 120.400 -0.072 0.000 2.263 470 D HA -0.119 4.541 4.640 0.034 0.000 0.208 470 D C 2.302 178.568 176.300 -0.056 0.000 0.971 470 D CA 1.636 55.600 54.000 -0.060 0.000 0.867 470 D CB -0.109 40.659 40.800 -0.053 0.000 0.929 470 D HN 0.601 nan 8.370 nan 0.000 0.492 471 S N -1.020 114.644 115.700 -0.060 0.000 2.558 471 S HA 0.056 4.546 4.470 0.034 0.000 0.217 471 S C 1.125 175.689 174.600 -0.060 0.000 0.975 471 S CA 0.273 58.440 58.200 -0.055 0.000 0.912 471 S CB 0.115 63.284 63.200 -0.053 0.000 0.776 471 S HN 0.182 nan 8.310 nan 0.000 0.526 472 S N 0.300 115.959 115.700 -0.069 0.000 2.702 472 S HA 0.665 5.156 4.470 0.034 0.000 0.272 472 S C 0.267 174.825 174.600 -0.069 0.000 1.068 472 S CA -0.172 57.984 58.200 -0.074 0.000 0.964 472 S CB 1.008 64.153 63.200 -0.093 0.000 1.307 472 S HN 0.196 nan 8.310 nan 0.000 0.567 473 S N -0.335 115.320 115.700 -0.075 0.000 2.941 473 S HA 0.334 4.824 4.470 0.034 0.000 0.248 473 S C 0.521 175.073 174.600 -0.079 0.000 0.962 473 S CA -0.509 57.651 58.200 -0.067 0.000 1.092 473 S CB -0.631 62.536 63.200 -0.055 0.000 1.113 473 S HN 0.514 nan 8.310 nan 0.000 0.512 474 L N 0.709 121.873 121.223 -0.098 0.000 2.093 474 L HA 0.198 4.559 4.340 0.034 0.000 0.208 474 L C 1.026 177.841 176.870 -0.092 0.000 1.085 474 L CA 1.319 56.088 54.840 -0.118 0.000 0.755 474 L CB -0.799 41.165 42.059 -0.157 0.000 0.904 474 L HN 0.519 nan 8.230 nan 0.000 0.435 475 c N 0.170 118.722 118.600 -0.081 0.000 2.641 475 c HA 0.631 5.221 4.570 0.034 0.000 0.294 475 c C 1.051 175.112 174.090 -0.049 0.000 1.496 475 c CA -0.403 55.888 56.329 -0.063 0.000 1.672 475 c CB -1.353 41.116 42.510 -0.068 0.000 2.763 475 c HN 0.744 nan 8.230 nan 0.000 0.545 476 G N 0.000 108.773 108.800 -0.045 0.000 5.446 476 G HA2 0.000 3.980 3.960 0.034 0.000 0.244 476 G HA3 0.000 3.980 3.960 0.034 0.000 0.244 476 G CA 0.000 45.078 45.100 -0.036 0.000 0.502 476 G HN 0.000 nan 8.290 nan 0.000 0.925