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 3hyw_1_C DATA FIRST_RESID 2 DATA SEQUENCE AKHVVVIGGG VGGIATAYNL RNLMPDLKIT LISDRPYFGF TPAFPHLAMG DATA SEQUENCE WRKFEDISVP LAPLLPKFNI EFINEKAESI DPDANTVTTQ SGKKIEYDYL DATA SEQUENCE VIATGPKLVF GAEGQEENST SICTAEHALE TQKKLQELYA NPGPVVIGAI DATA SEQUENCE PGVSXFGPAY EFALMLHYEL KKRGIRYKVP MTFITSEPYL GHFGVGGIGA DATA SEQUENCE SKRLVEDLFA ERNIDWIANV AVKAIEPDKV IYEDLNGNTH EVPAKFTMFM DATA SEQUENCE PSFQGPEVVA SAGDKVANPA NKMVIVNRcF QNPTYKNIFG VGVVTAIPPI DATA SEQUENCE EKTPIPTGVP KTGMMIEQMA MAVAHNIVND IRNNPDKYAP RLSAIXIADF DATA SEQUENCE GEDAGFFFAD PVIPPRERVI TKMGKWAHYF KTAFEKYFLW KVRNGNIAPS DATA SEQUENCE FEEKVLEIFL KVHPIELcKD cEGAPGSRc 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.640 177.584 0.094 0.000 1.274 2 A CA 0.000 52.073 52.037 0.059 0.000 0.836 2 A CB 0.000 19.021 19.000 0.035 0.000 0.831 3 K N 1.161 121.638 120.400 0.129 0.000 2.168 3 K HA 0.338 4.658 4.320 -0.000 0.000 0.258 3 K C -0.404 176.355 176.600 0.265 0.000 1.010 3 K CA -0.184 56.224 56.287 0.202 0.000 0.929 3 K CB 0.782 33.433 32.500 0.253 0.000 0.998 3 K HN 0.816 nan 8.250 nan 0.000 0.479 4 H N 0.468 119.646 119.070 0.180 0.000 2.800 4 H HA 0.292 4.848 4.556 -0.000 0.000 0.322 4 H C -1.356 174.119 175.328 0.244 0.000 0.979 4 H CA -0.682 55.468 56.048 0.170 0.000 1.277 4 H CB 1.486 31.327 29.762 0.133 0.000 1.484 4 H HN 0.227 nan 8.280 nan 0.000 0.512 5 V N 6.966 126.940 119.914 0.100 0.000 2.435 5 V HA 0.392 4.512 4.120 -0.000 0.000 0.290 5 V C -0.518 175.463 176.094 -0.189 0.000 1.030 5 V CA -0.434 61.870 62.300 0.008 0.000 0.881 5 V CB 1.221 33.076 31.823 0.053 0.000 0.983 5 V HN 0.524 nan 8.190 nan 0.000 0.445 6 V N 5.811 125.592 119.914 -0.222 0.000 2.472 6 V HA 0.791 4.911 4.120 -0.000 0.000 0.290 6 V C -0.506 175.527 176.094 -0.102 0.000 1.037 6 V CA -0.348 61.852 62.300 -0.165 0.000 0.908 6 V CB 1.521 33.258 31.823 -0.145 0.000 0.985 6 V HN 0.673 nan 8.190 nan 0.000 0.454 7 V N 6.550 126.444 119.914 -0.033 0.000 2.384 7 V HA 0.488 4.608 4.120 -0.000 0.000 0.287 7 V C 0.020 176.117 176.094 0.004 0.000 1.020 7 V CA -0.357 61.935 62.300 -0.013 0.000 0.850 7 V CB 1.445 33.277 31.823 0.015 0.000 0.987 7 V HN 0.843 nan 8.190 nan 0.000 0.436 8 I N 4.693 125.257 120.570 -0.010 0.000 2.306 8 I HA 0.728 4.898 4.170 -0.000 0.000 0.288 8 I C 0.685 176.813 176.117 0.018 0.000 1.036 8 I CA -0.059 61.242 61.300 0.001 0.000 1.221 8 I CB 1.160 39.149 38.000 -0.018 0.000 1.385 8 I HN 0.851 nan 8.210 nan 0.000 0.472 9 G N 3.542 112.368 108.800 0.043 0.000 3.326 9 G HA2 0.062 4.022 3.960 -0.000 0.000 0.681 9 G HA3 0.062 4.022 3.960 -0.000 0.000 0.681 9 G C -0.131 174.818 174.900 0.082 0.000 1.255 9 G CA -0.599 44.531 45.100 0.050 0.000 0.976 9 G HN 0.923 nan 8.290 nan 0.000 0.563 10 G N 0.618 109.487 108.800 0.114 0.000 4.084 10 G HA2 0.675 4.635 3.960 -0.000 0.000 0.293 10 G HA3 0.675 4.635 3.960 -0.000 0.000 0.293 10 G C 0.761 175.773 174.900 0.186 0.000 1.303 10 G CA 0.848 46.032 45.100 0.140 0.000 1.289 10 G HN 1.250 nan 8.290 nan 0.000 0.609 11 G N -0.641 108.262 108.800 0.171 0.000 3.008 11 G HA2 0.372 4.332 3.960 -0.000 0.000 0.181 11 G HA3 0.372 4.332 3.960 -0.000 0.000 0.181 11 G C 1.076 176.181 174.900 0.343 0.000 1.309 11 G CA 0.066 45.324 45.100 0.264 0.000 1.009 11 G HN 0.035 nan 8.290 nan 0.000 0.584 12 V N 1.044 121.160 119.914 0.336 0.000 2.255 12 V HA -0.104 4.016 4.120 -0.000 0.000 0.247 12 V C 3.084 179.252 176.094 0.123 0.000 1.051 12 V CA 2.722 65.199 62.300 0.296 0.000 1.018 12 V CB -1.162 30.750 31.823 0.149 0.000 0.641 12 V HN 0.780 nan 8.190 nan 0.000 0.445 13 G N -0.320 108.518 108.800 0.063 0.000 2.404 13 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.215 13 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.215 13 G C 1.615 176.512 174.900 -0.006 0.000 1.174 13 G CA 0.927 46.038 45.100 0.018 0.000 0.780 13 G HN 0.596 nan 8.290 nan 0.000 0.537 14 G N 1.054 109.857 108.800 0.006 0.000 2.404 14 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.215 14 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.215 14 G C 1.686 176.539 174.900 -0.079 0.000 1.174 14 G CA 0.856 45.949 45.100 -0.011 0.000 0.780 14 G HN 0.285 nan 8.290 nan 0.000 0.537 15 I N 1.947 122.430 120.570 -0.144 0.000 2.179 15 I HA -0.152 4.018 4.170 -0.000 0.000 0.242 15 I C 3.294 179.092 176.117 -0.530 0.000 1.088 15 I CA 1.344 62.377 61.300 -0.445 0.000 1.357 15 I CB -1.317 36.312 38.000 -0.618 0.000 1.051 15 I HN 0.265 nan 8.210 nan 0.000 0.409 16 A N 0.525 123.168 122.820 -0.295 0.000 1.908 16 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 16 A C 2.424 179.933 177.584 -0.124 0.000 1.181 16 A CA 2.495 54.416 52.037 -0.195 0.000 0.627 16 A CB -1.058 17.909 19.000 -0.054 0.000 0.818 16 A HN 0.445 nan 8.150 nan 0.000 0.445 17 T N 0.225 114.719 114.554 -0.100 0.000 2.777 17 T HA 0.057 4.407 4.350 -0.000 0.000 0.266 17 T C 2.257 176.917 174.700 -0.067 0.000 1.040 17 T CA 1.446 63.495 62.100 -0.084 0.000 1.141 17 T CB -0.483 68.342 68.868 -0.073 0.000 0.868 17 T HN 0.588 nan 8.240 nan 0.000 0.444 18 A N 0.888 123.684 122.820 -0.040 0.000 1.877 18 A HA -0.108 4.212 4.320 -0.000 0.000 0.216 18 A C 2.121 179.779 177.584 0.124 0.000 1.186 18 A CA 1.411 53.472 52.037 0.039 0.000 0.620 18 A CB -1.034 18.013 19.000 0.078 0.000 0.822 18 A HN 0.463 nan 8.150 nan 0.000 0.443 19 Y N 0.722 120.933 120.300 -0.148 0.000 2.145 19 Y HA -0.166 4.384 4.550 0.000 0.000 0.286 19 Y C 2.529 178.304 175.900 -0.207 0.000 1.145 19 Y CA 0.953 58.922 58.100 -0.219 0.000 1.148 19 Y CB -0.950 37.324 38.460 -0.309 0.000 0.981 19 Y HN 0.324 nan 8.280 nan 0.000 0.507 20 N N 0.294 118.983 118.700 -0.018 0.000 2.036 20 N HA -0.183 4.557 4.740 -0.000 0.000 0.195 20 N C 2.079 177.499 175.510 -0.149 0.000 1.037 20 N CA 1.346 54.330 53.050 -0.110 0.000 0.855 20 N CB -0.836 37.574 38.487 -0.128 0.000 1.033 20 N HN 0.304 nan 8.380 nan 0.000 0.423 21 L N 0.581 121.728 121.223 -0.128 0.000 2.042 21 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 21 L C 2.558 179.366 176.870 -0.103 0.000 1.076 21 L CA 1.154 55.912 54.840 -0.137 0.000 0.749 21 L CB -0.307 41.685 42.059 -0.111 0.000 0.893 21 L HN 0.118 nan 8.230 nan 0.000 0.432 22 R N 0.819 121.277 120.500 -0.070 0.000 2.081 22 R HA -0.150 4.190 4.340 -0.000 0.000 0.235 22 R C 1.729 177.969 176.300 -0.100 0.000 1.131 22 R CA 2.008 58.068 56.100 -0.067 0.000 0.960 22 R CB -0.656 29.608 30.300 -0.060 0.000 0.856 22 R HN 0.453 nan 8.270 nan 0.000 0.436 23 N N -0.697 117.924 118.700 -0.132 0.000 2.354 23 N HA -0.048 4.692 4.740 -0.000 0.000 0.179 23 N C 0.897 176.337 175.510 -0.117 0.000 1.021 23 N CA 0.484 53.454 53.050 -0.134 0.000 0.887 23 N CB 0.039 38.432 38.487 -0.156 0.000 0.974 23 N HN 0.054 nan 8.380 nan 0.000 0.437 24 L N 0.025 121.163 121.223 -0.142 0.000 2.179 24 L HA 0.187 4.527 4.340 -0.000 0.000 0.208 24 L C 0.534 177.344 176.870 -0.100 0.000 1.096 24 L CA 1.343 56.094 54.840 -0.149 0.000 0.779 24 L CB -0.143 41.768 42.059 -0.247 0.000 0.922 24 L HN 0.210 nan 8.230 nan 0.000 0.443 25 M N -0.976 118.572 119.600 -0.087 0.000 1.988 25 M HA 0.234 4.714 4.480 -0.000 0.000 0.243 25 M C -1.909 174.369 176.300 -0.038 0.000 0.897 25 M CA -1.390 53.877 55.300 -0.056 0.000 0.935 25 M CB 1.557 34.121 32.600 -0.060 0.000 1.956 25 M HN -0.182 nan 8.290 nan 0.000 0.389 26 P HA -0.139 nan 4.420 nan 0.000 0.216 26 P C -0.033 177.264 177.300 -0.005 0.000 1.150 26 P CA 1.353 64.441 63.100 -0.020 0.000 0.843 26 P CB 0.046 31.735 31.700 -0.018 0.000 0.787 27 D N -0.411 119.989 120.400 -0.001 0.000 2.713 27 D HA 0.267 4.907 4.640 -0.000 0.000 0.229 27 D C -0.850 175.462 176.300 0.020 0.000 1.136 27 D CA -0.071 53.935 54.000 0.010 0.000 1.010 27 D CB -0.952 39.855 40.800 0.011 0.000 1.084 27 D HN -0.157 nan 8.370 nan 0.000 0.495 28 L N 1.320 122.559 121.223 0.026 0.000 2.526 28 L HA 0.408 4.748 4.340 -0.000 0.000 0.263 28 L C -1.212 175.702 176.870 0.074 0.000 0.943 28 L CA -0.647 54.222 54.840 0.049 0.000 0.859 28 L CB 1.682 43.755 42.059 0.023 0.000 1.313 28 L HN -0.126 nan 8.230 nan 0.000 0.406 29 K N 5.678 126.150 120.400 0.120 0.000 2.258 29 K HA 0.610 4.930 4.320 -0.000 0.000 0.284 29 K C -1.103 175.668 176.600 0.284 0.000 1.051 29 K CA -0.104 56.277 56.287 0.157 0.000 0.923 29 K CB 0.958 33.509 32.500 0.085 0.000 1.046 29 K HN 0.508 nan 8.250 nan 0.000 0.474 30 I N 2.254 122.958 120.570 0.224 0.000 2.447 30 I HA 0.160 4.330 4.170 -0.000 0.000 0.287 30 I C -0.502 175.749 176.117 0.224 0.000 1.023 30 I CA -0.577 60.844 61.300 0.202 0.000 1.083 30 I CB 2.244 40.318 38.000 0.123 0.000 1.245 30 I HN 0.442 nan 8.210 nan 0.000 0.434 31 T N 7.082 121.780 114.554 0.241 0.000 2.770 31 T HA 0.498 4.848 4.350 -0.000 0.000 0.283 31 T C -0.540 174.244 174.700 0.141 0.000 0.988 31 T CA -0.346 61.887 62.100 0.222 0.000 0.957 31 T CB 1.320 70.382 68.868 0.322 0.000 0.930 31 T HN 0.324 nan 8.240 nan 0.000 0.443 32 L N 5.279 126.607 121.223 0.176 0.000 2.296 32 L HA 0.653 4.993 4.340 -0.000 0.000 0.286 32 L C -1.111 175.857 176.870 0.164 0.000 1.023 32 L CA -0.737 54.214 54.840 0.185 0.000 0.812 32 L CB 0.510 42.719 42.059 0.250 0.000 1.223 32 L HN 0.621 nan 8.230 nan 0.000 0.421 33 I N 4.281 124.899 120.570 0.080 0.000 2.378 33 I HA 0.479 4.649 4.170 -0.000 0.000 0.291 33 I C -0.213 175.922 176.117 0.031 0.000 0.992 33 I CA -0.208 61.083 61.300 -0.016 0.000 1.154 33 I CB 1.798 39.783 38.000 -0.025 0.000 1.315 33 I HN 0.518 nan 8.210 nan 0.000 0.448 34 S N 3.177 118.875 115.700 -0.003 0.000 2.536 34 S HA 0.232 4.702 4.470 -0.000 0.000 0.271 34 S C 0.169 174.777 174.600 0.014 0.000 1.134 34 S CA -0.734 57.515 58.200 0.082 0.000 0.897 34 S CB 1.357 64.724 63.200 0.279 0.000 1.094 34 S HN 0.761 nan 8.310 nan 0.000 0.473 35 D N 2.805 123.210 120.400 0.008 0.000 2.317 35 D HA 0.009 4.649 4.640 -0.000 0.000 0.211 35 D C 0.324 176.626 176.300 0.004 0.000 0.966 35 D CA 0.423 54.418 54.000 -0.008 0.000 0.876 35 D CB 0.076 40.870 40.800 -0.011 0.000 0.927 35 D HN 0.361 nan 8.370 nan 0.000 0.519 36 R N 0.809 121.302 120.500 -0.010 0.000 2.460 36 R HA 0.311 4.651 4.340 -0.000 0.000 0.303 36 R C -1.812 174.518 176.300 0.050 0.000 0.968 36 R CA -1.698 54.342 56.100 -0.100 0.000 0.889 36 R CB 1.737 31.767 30.300 -0.450 0.000 1.123 36 R HN -0.052 nan 8.270 nan 0.000 0.455 37 P HA -0.061 nan 4.420 nan 0.000 0.245 37 P C -0.939 176.512 177.300 0.252 0.000 1.212 37 P CA 0.810 64.116 63.100 0.344 0.000 0.774 37 P CB 0.104 32.004 31.700 0.333 0.000 0.999 38 Y N -2.342 118.072 120.300 0.190 0.000 2.536 38 Y HA 0.648 5.198 4.550 -0.000 0.000 0.347 38 Y C -0.620 175.383 175.900 0.172 0.000 1.000 38 Y CA -2.633 55.556 58.100 0.149 0.000 1.051 38 Y CB 0.427 39.007 38.460 0.200 0.000 1.259 38 Y HN -0.271 nan 8.280 nan 0.000 0.468 39 F N 2.378 122.421 119.950 0.156 0.000 2.427 39 F HA 0.710 5.237 4.527 0.000 0.000 0.352 39 F C 0.256 176.292 175.800 0.394 0.000 1.100 39 F CA -0.478 57.614 58.000 0.153 0.000 1.191 39 F CB 0.803 39.849 39.000 0.077 0.000 1.128 39 F HN 0.828 nan 8.300 nan 0.000 0.533 40 G N 5.941 114.447 108.800 -0.489 0.000 2.370 40 G HA2 0.320 4.280 3.960 -0.000 0.000 0.317 40 G HA3 0.320 4.280 3.960 -0.000 0.000 0.317 40 G C -1.566 172.834 174.900 -0.832 0.000 1.162 40 G CA -0.606 44.407 45.100 -0.146 0.000 0.922 40 G HN 0.686 nan 8.290 nan 0.000 0.454 41 F N 3.986 123.581 119.950 -0.591 0.000 2.600 41 F HA 0.214 4.741 4.527 -0.000 0.000 0.345 41 F C 1.822 177.196 175.800 -0.711 0.000 1.271 41 F CA -0.375 57.355 58.000 -0.449 0.000 1.138 41 F CB 0.119 39.108 39.000 -0.019 0.000 1.449 41 F HN 0.458 nan 8.300 nan 0.000 0.645 42 T N 5.054 118.820 114.554 -1.313 0.000 2.699 42 T HA -0.152 4.198 4.350 -0.000 0.000 0.268 42 T C -0.667 173.417 174.700 -1.027 0.000 1.036 42 T CA 1.587 62.732 62.100 -1.593 0.000 1.147 42 T CB -0.949 67.394 68.868 -0.874 0.000 0.862 42 T HN 0.380 nan 8.240 nan 0.000 0.446 43 P HA 0.089 nan 4.420 nan 0.000 0.226 43 P C 0.835 178.063 177.300 -0.120 0.000 1.146 43 P CA 0.792 63.579 63.100 -0.522 0.000 0.773 43 P CB -0.157 31.176 31.700 -0.612 0.000 0.772 44 A N -2.486 120.267 122.820 -0.112 0.000 2.348 44 A HA 0.123 4.443 4.320 -0.000 0.000 0.224 44 A C 1.292 179.183 177.584 0.512 0.000 1.227 44 A CA -0.104 52.097 52.037 0.273 0.000 0.885 44 A CB -0.991 18.203 19.000 0.323 0.000 0.933 44 A HN -0.030 nan 8.150 nan 0.000 0.506 45 F N 0.918 120.988 119.950 0.201 0.000 2.171 45 F HA 0.007 4.534 4.527 -0.000 0.000 0.300 45 F C -0.518 175.399 175.800 0.195 0.000 1.090 45 F CA 0.712 58.819 58.000 0.178 0.000 1.293 45 F CB -1.946 37.118 39.000 0.106 0.000 1.013 45 F HN 0.199 nan 8.300 nan 0.000 0.486 46 P HA -0.125 nan 4.420 nan 0.000 0.216 46 P C 1.150 178.539 177.300 0.147 0.000 1.153 46 P CA 1.761 65.017 63.100 0.262 0.000 0.848 46 P CB -0.182 31.619 31.700 0.169 0.000 0.787 47 H N -1.285 117.918 119.070 0.221 0.000 2.387 47 H HA -0.074 4.482 4.556 0.000 0.000 0.299 47 H C 1.834 177.277 175.328 0.192 0.000 1.090 47 H CA 0.891 57.068 56.048 0.216 0.000 1.332 47 H CB -1.243 28.748 29.762 0.381 0.000 1.386 47 H HN 0.011 nan 8.280 nan 0.000 0.516 48 L N 0.686 122.135 121.223 0.377 0.000 2.046 48 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 48 L C 2.370 179.348 176.870 0.181 0.000 1.077 48 L CA 1.742 56.751 54.840 0.281 0.000 0.747 48 L CB -0.889 41.345 42.059 0.292 0.000 0.896 48 L HN 0.277 nan 8.230 nan 0.000 0.432 49 A N -1.141 121.783 122.820 0.173 0.000 1.972 49 A HA -0.186 4.134 4.320 -0.000 0.000 0.219 49 A C 2.090 179.754 177.584 0.135 0.000 1.169 49 A CA 1.862 54.000 52.037 0.168 0.000 0.635 49 A CB -0.519 18.607 19.000 0.211 0.000 0.810 49 A HN 0.466 nan 8.150 nan 0.000 0.446 50 M N -1.248 118.327 119.600 -0.043 0.000 2.619 50 M HA 0.096 4.576 4.480 -0.000 0.000 0.251 50 M C 1.494 177.668 176.300 -0.211 0.000 1.106 50 M CA 0.704 55.770 55.300 -0.390 0.000 1.086 50 M CB -1.283 30.522 32.600 -1.325 0.000 1.465 50 M HN 0.783 nan 8.290 nan 0.000 0.506 51 G N -0.693 108.133 108.800 0.043 0.000 2.176 51 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.252 51 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.252 51 G C 0.181 175.322 174.900 0.401 0.000 1.024 51 G CA 0.209 45.431 45.100 0.204 0.000 0.755 51 G HN 0.546 nan 8.290 nan 0.000 0.507 52 W N -0.146 121.277 121.300 0.206 0.000 3.278 52 W HA 0.456 5.116 4.660 -0.000 0.000 0.308 52 W C 1.044 177.684 176.519 0.201 0.000 1.253 52 W CA -0.497 56.971 57.345 0.205 0.000 1.759 52 W CB 0.052 29.660 29.460 0.248 0.000 1.093 52 W HN 0.126 nan 8.180 nan 0.000 0.648 53 R N 0.270 121.008 120.500 0.397 0.000 2.808 53 R HA 0.399 4.739 4.340 -0.000 0.000 0.272 53 R C -0.284 176.154 176.300 0.230 0.000 0.995 53 R CA -0.998 55.274 56.100 0.286 0.000 0.917 53 R CB 1.768 32.243 30.300 0.292 0.000 1.217 53 R HN -0.116 nan 8.270 nan 0.000 0.471 54 K N 1.109 121.617 120.400 0.180 0.000 2.156 54 K HA 0.211 4.531 4.320 -0.000 0.000 0.271 54 K C 0.942 177.644 176.600 0.170 0.000 0.995 54 K CA -0.333 56.053 56.287 0.165 0.000 0.890 54 K CB 1.127 33.700 32.500 0.122 0.000 1.073 54 K HN 0.431 nan 8.250 nan 0.000 0.454 55 F N 3.632 123.610 119.950 0.047 0.000 2.120 55 F HA -0.288 4.239 4.527 0.000 0.000 0.300 55 F C 2.106 177.907 175.800 0.001 0.000 1.095 55 F CA 2.041 60.044 58.000 0.005 0.000 1.249 55 F CB 0.123 39.078 39.000 -0.075 0.000 0.995 55 F HN 0.732 nan 8.300 nan 0.000 0.480 56 E N -0.767 119.362 120.200 -0.117 0.000 2.267 56 E HA -0.240 4.110 4.350 -0.000 0.000 0.197 56 E C 1.108 177.610 176.600 -0.164 0.000 0.998 56 E CA 1.545 57.828 56.400 -0.194 0.000 0.830 56 E CB -0.567 29.127 29.700 -0.010 0.000 0.751 56 E HN 0.443 nan 8.360 nan 0.000 0.491 57 D N 1.080 121.431 120.400 -0.081 0.000 2.348 57 D HA 0.051 4.691 4.640 -0.000 0.000 0.211 57 D C 1.599 177.884 176.300 -0.026 0.000 0.998 57 D CA 0.612 54.594 54.000 -0.029 0.000 0.873 57 D CB 0.258 41.072 40.800 0.024 0.000 0.925 57 D HN 0.558 nan 8.370 nan 0.000 0.524 58 I N -2.210 118.327 120.570 -0.055 0.000 3.833 58 I HA 0.287 4.457 4.170 -0.000 0.000 0.328 58 I C -0.209 175.915 176.117 0.011 0.000 1.554 58 I CA -0.476 60.856 61.300 0.053 0.000 1.116 58 I CB 0.428 38.549 38.000 0.202 0.000 1.182 58 I HN -0.236 nan 8.210 nan 0.000 0.459 59 S N -0.022 115.579 115.700 -0.165 0.000 2.588 59 S HA 0.840 5.310 4.470 -0.000 0.000 0.275 59 S C -0.831 173.763 174.600 -0.011 0.000 1.130 59 S CA -0.661 57.440 58.200 -0.164 0.000 0.855 59 S CB 2.582 65.280 63.200 -0.837 0.000 1.116 59 S HN 0.011 nan 8.310 nan 0.000 0.472 60 V N 1.959 121.984 119.914 0.185 0.000 2.488 60 V HA 0.464 4.584 4.120 -0.000 0.000 0.293 60 V C -2.814 173.378 176.094 0.164 0.000 1.027 60 V CA -1.827 60.567 62.300 0.157 0.000 0.862 60 V CB 1.586 33.521 31.823 0.186 0.000 1.008 60 V HN 0.796 nan 8.190 nan 0.000 0.428 61 P HA 0.213 nan 4.420 nan 0.000 0.263 61 P C 0.720 178.006 177.300 -0.024 0.000 1.195 61 P CA 0.235 63.388 63.100 0.088 0.000 0.762 61 P CB 0.744 32.488 31.700 0.072 0.000 0.799 62 L N 2.768 123.894 121.223 -0.162 0.000 2.249 62 L HA -0.029 4.311 4.340 -0.000 0.000 0.207 62 L C 2.314 178.924 176.870 -0.432 0.000 1.090 62 L CA 1.092 55.657 54.840 -0.457 0.000 0.802 62 L CB -0.690 40.741 42.059 -1.046 0.000 0.947 62 L HN 0.368 nan 8.230 nan 0.000 0.453 63 A N 1.249 123.947 122.820 -0.205 0.000 1.883 63 A HA -0.116 4.204 4.320 -0.000 0.000 0.217 63 A C -0.181 177.415 177.584 0.019 0.000 1.186 63 A CA 1.707 53.798 52.037 0.090 0.000 0.624 63 A CB -1.741 17.403 19.000 0.241 0.000 0.822 63 A HN 0.326 nan 8.150 nan 0.000 0.444 64 P HA 0.085 nan 4.420 nan 0.000 0.245 64 P C 1.172 178.399 177.300 -0.123 0.000 1.206 64 P CA 0.268 63.338 63.100 -0.050 0.000 0.781 64 P CB 0.188 31.868 31.700 -0.033 0.000 0.994 65 L N -0.907 120.228 121.223 -0.148 0.000 2.189 65 L HA 0.148 4.488 4.340 -0.000 0.000 0.199 65 L C 2.178 178.835 176.870 -0.355 0.000 1.074 65 L CA 1.268 55.968 54.840 -0.232 0.000 0.783 65 L CB -1.100 40.888 42.059 -0.118 0.000 0.955 65 L HN -0.246 nan 8.230 nan 0.000 0.460 66 L N 0.238 121.354 121.223 -0.179 0.000 2.079 66 L HA -0.125 4.215 4.340 -0.000 0.000 0.210 66 L C -0.388 176.402 176.870 -0.134 0.000 1.081 66 L CA 1.157 55.956 54.840 -0.068 0.000 0.752 66 L CB -1.830 40.255 42.059 0.043 0.000 0.896 66 L HN 0.263 nan 8.230 nan 0.000 0.433 67 P HA -0.174 nan 4.420 nan 0.000 0.221 67 P C 1.182 178.341 177.300 -0.236 0.000 1.145 67 P CA 1.243 64.271 63.100 -0.120 0.000 0.795 67 P CB -0.028 31.625 31.700 -0.077 0.000 0.775 68 K N -1.488 118.627 120.400 -0.474 0.000 2.280 68 K HA -0.055 4.265 4.320 -0.000 0.000 0.202 68 K C 0.509 176.753 176.600 -0.593 0.000 1.047 68 K CA 1.068 56.979 56.287 -0.627 0.000 0.942 68 K CB -0.281 31.677 32.500 -0.904 0.000 0.739 68 K HN 0.236 nan 8.250 nan 0.000 0.457 69 F N 0.527 120.394 119.950 -0.139 0.000 2.668 69 F HA 0.256 4.783 4.527 -0.000 0.000 0.301 69 F C -0.088 175.649 175.800 -0.104 0.000 1.106 69 F CA -1.041 56.852 58.000 -0.178 0.000 1.289 69 F CB -0.386 38.418 39.000 -0.326 0.000 1.006 69 F HN -0.077 nan 8.300 nan 0.000 0.535 70 N N 1.351 120.058 118.700 0.010 0.000 2.740 70 N HA -0.222 4.518 4.740 -0.000 0.000 0.248 70 N C -0.572 174.975 175.510 0.062 0.000 1.062 70 N CA 0.615 53.678 53.050 0.022 0.000 0.704 70 N CB -1.536 36.962 38.487 0.019 0.000 0.968 70 N HN 0.369 nan 8.380 nan 0.000 0.547 71 I N 0.576 121.198 120.570 0.086 0.000 2.378 71 I HA 0.137 4.307 4.170 -0.000 0.000 0.291 71 I C 0.816 177.015 176.117 0.137 0.000 0.992 71 I CA -0.606 60.773 61.300 0.132 0.000 1.154 71 I CB 1.814 39.928 38.000 0.189 0.000 1.315 71 I HN 0.009 nan 8.210 nan 0.000 0.448 72 E N 6.693 126.980 120.200 0.145 0.000 2.257 72 E HA 0.138 4.488 4.350 -0.000 0.000 0.278 72 E C -1.428 175.306 176.600 0.223 0.000 1.049 72 E CA -0.321 56.168 56.400 0.149 0.000 0.876 72 E CB 0.787 30.554 29.700 0.112 0.000 1.035 72 E HN 0.463 nan 8.360 nan 0.000 0.419 73 F N 6.175 126.156 119.950 0.051 0.000 2.404 73 F HA 0.410 4.937 4.527 -0.000 0.000 0.354 73 F C -0.674 175.153 175.800 0.045 0.000 1.122 73 F CA -0.849 57.182 58.000 0.052 0.000 1.080 73 F CB 0.645 39.675 39.000 0.050 0.000 1.131 73 F HN 0.384 nan 8.300 nan 0.000 0.471 74 I N 5.937 126.196 120.570 -0.518 0.000 2.359 74 I HA 0.129 4.299 4.170 -0.000 0.000 0.284 74 I C -0.282 175.304 176.117 -0.885 0.000 1.018 74 I CA -0.685 60.306 61.300 -0.515 0.000 1.173 74 I CB 0.989 38.862 38.000 -0.211 0.000 1.326 74 I HN 0.534 nan 8.210 nan 0.000 0.462 75 N N 6.811 124.975 118.700 -0.893 0.000 2.971 75 N HA 0.141 4.881 4.740 -0.000 0.000 0.294 75 N C -0.764 174.596 175.510 -0.250 0.000 1.210 75 N CA 0.394 53.082 53.050 -0.604 0.000 1.157 75 N CB 0.021 38.358 38.487 -0.250 0.000 1.450 75 N HN 0.576 nan 8.380 nan 0.000 0.527 76 E N 0.046 120.117 120.200 -0.216 0.000 2.390 76 E HA 0.171 4.521 4.350 -0.000 0.000 0.277 76 E C -1.072 175.483 176.600 -0.075 0.000 0.939 76 E CA -0.919 55.415 56.400 -0.109 0.000 0.769 76 E CB 1.965 31.608 29.700 -0.094 0.000 1.251 76 E HN 0.142 nan 8.360 nan 0.000 0.450 77 K N 1.371 121.745 120.400 -0.042 0.000 2.368 77 K HA 0.349 4.669 4.320 -0.000 0.000 0.282 77 K C -0.769 175.817 176.600 -0.023 0.000 1.035 77 K CA -0.098 56.173 56.287 -0.026 0.000 0.973 77 K CB 0.742 33.233 32.500 -0.015 0.000 0.957 77 K HN 0.565 nan 8.250 nan 0.000 0.474 78 A N 4.052 126.862 122.820 -0.018 0.000 2.409 78 A HA 0.073 4.393 4.320 -0.000 0.000 0.267 78 A C 0.763 178.343 177.584 -0.006 0.000 1.127 78 A CA -0.211 51.820 52.037 -0.010 0.000 0.795 78 A CB 0.535 19.530 19.000 -0.008 0.000 1.061 78 A HN 1.038 nan 8.150 nan 0.000 0.502 79 E N 1.646 121.844 120.200 -0.003 0.000 2.127 79 E HA 0.054 4.404 4.350 -0.000 0.000 0.191 79 E C 0.537 177.137 176.600 -0.000 0.000 0.964 79 E CA 0.985 57.383 56.400 -0.002 0.000 0.832 79 E CB 0.228 29.927 29.700 -0.002 0.000 0.790 79 E HN 0.811 nan 8.360 nan 0.000 0.465 80 S N -0.797 114.905 115.700 0.003 0.000 2.579 80 S HA 0.575 5.045 4.470 -0.000 0.000 0.272 80 S C -0.792 173.814 174.600 0.010 0.000 1.141 80 S CA -0.998 57.204 58.200 0.003 0.000 0.843 80 S CB 1.533 64.734 63.200 0.001 0.000 1.122 80 S HN 0.116 nan 8.310 nan 0.000 0.468 81 I N 1.549 122.121 120.570 0.004 0.000 2.466 81 I HA 0.389 4.559 4.170 -0.000 0.000 0.289 81 I C -1.238 174.873 176.117 -0.009 0.000 1.026 81 I CA -0.376 60.935 61.300 0.018 0.000 1.078 81 I CB 1.966 39.966 38.000 0.000 0.000 1.249 81 I HN 0.667 nan 8.210 nan 0.000 0.429 82 D N 8.779 129.179 120.400 -0.001 0.000 2.485 82 D HA 0.267 4.907 4.640 -0.000 0.000 0.229 82 D C -1.693 174.549 176.300 -0.097 0.000 1.101 82 D CA -2.244 51.725 54.000 -0.052 0.000 0.906 82 D CB 1.554 42.328 40.800 -0.044 0.000 1.019 82 D HN 0.196 nan 8.370 nan 0.000 0.516 83 P HA -0.039 nan 4.420 nan 0.000 0.225 83 P C 0.596 177.703 177.300 -0.322 0.000 1.156 83 P CA 0.588 63.436 63.100 -0.419 0.000 0.787 83 P CB 0.762 31.799 31.700 -1.105 0.000 0.802 84 D N 0.221 120.534 120.400 -0.145 0.000 2.194 84 D HA -0.006 4.634 4.640 -0.000 0.000 0.204 84 D C 1.850 178.136 176.300 -0.022 0.000 0.964 84 D CA 1.076 55.106 54.000 0.050 0.000 0.846 84 D CB -0.079 40.772 40.800 0.085 0.000 0.962 84 D HN 0.173 nan 8.370 nan 0.000 0.490 85 A N 0.538 123.308 122.820 -0.084 0.000 2.195 85 A HA -0.002 4.318 4.320 -0.000 0.000 0.210 85 A C 0.400 177.847 177.584 -0.229 0.000 1.165 85 A CA -0.019 51.950 52.037 -0.114 0.000 0.806 85 A CB 0.051 18.998 19.000 -0.087 0.000 0.847 85 A HN 0.052 nan 8.150 nan 0.000 0.482 86 N N 0.420 118.911 118.700 -0.349 0.000 2.746 86 N HA -0.109 4.631 4.740 -0.000 0.000 0.250 86 N C -0.755 174.149 175.510 -1.009 0.000 1.055 86 N CA 1.508 54.010 53.050 -0.913 0.000 0.699 86 N CB -1.784 36.220 38.487 -0.804 0.000 0.919 86 N HN 0.456 nan 8.380 nan 0.000 0.548 87 T N -0.666 113.648 114.554 -0.401 0.000 2.900 87 T HA 0.623 4.973 4.350 -0.000 0.000 0.295 87 T C 0.105 174.898 174.700 0.155 0.000 1.044 87 T CA -0.543 61.502 62.100 -0.091 0.000 0.995 87 T CB 2.849 71.675 68.868 -0.070 0.000 1.072 87 T HN -0.070 nan 8.240 nan 0.000 0.473 88 V N 2.467 122.490 119.914 0.181 0.000 2.555 88 V HA 0.584 4.704 4.120 -0.000 0.000 0.302 88 V C -0.029 176.102 176.094 0.062 0.000 1.038 88 V CA -0.734 61.640 62.300 0.122 0.000 0.887 88 V CB 2.000 33.890 31.823 0.113 0.000 0.991 88 V HN 1.028 nan 8.190 nan 0.000 0.434 89 T N 2.875 117.450 114.554 0.035 0.000 2.779 89 T HA 0.472 4.822 4.350 -0.000 0.000 0.280 89 T C 0.339 175.045 174.700 0.010 0.000 0.987 89 T CA -0.459 61.652 62.100 0.019 0.000 0.966 89 T CB 1.319 70.193 68.868 0.010 0.000 0.933 89 T HN 0.929 nan 8.240 nan 0.000 0.442 90 T N 0.843 115.399 114.554 0.004 0.000 2.754 90 T HA 0.187 4.537 4.350 -0.000 0.000 0.286 90 T C 1.432 176.127 174.700 -0.008 0.000 0.997 90 T CA -0.552 61.544 62.100 -0.008 0.000 0.982 90 T CB 0.808 69.665 68.868 -0.018 0.000 1.027 90 T HN 0.564 nan 8.240 nan 0.000 0.529 91 Q N 0.278 120.071 119.800 -0.013 0.000 2.084 91 Q HA -0.125 4.215 4.340 -0.000 0.000 0.202 91 Q C 2.300 178.294 176.000 -0.009 0.000 0.978 91 Q CA 1.875 57.672 55.803 -0.010 0.000 0.844 91 Q CB -0.449 28.282 28.738 -0.011 0.000 0.898 91 Q HN 0.896 nan 8.270 nan 0.000 0.426 92 S N -1.734 113.959 115.700 -0.013 0.000 2.555 92 S HA 0.085 4.555 4.470 -0.000 0.000 0.230 92 S C 1.353 175.948 174.600 -0.008 0.000 0.978 92 S CA 0.754 58.947 58.200 -0.011 0.000 0.934 92 S CB 0.173 63.364 63.200 -0.015 0.000 0.766 92 S HN 0.694 nan 8.310 nan 0.000 0.533 93 G N 0.557 109.353 108.800 -0.006 0.000 2.179 93 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.220 93 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.220 93 G C -0.110 174.789 174.900 -0.001 0.000 0.990 93 G CA -0.145 44.954 45.100 -0.003 0.000 0.646 93 G HN 0.568 nan 8.290 nan 0.000 0.517 94 K N 1.213 121.612 120.400 -0.002 0.000 2.412 94 K HA 0.302 4.622 4.320 -0.000 0.000 0.284 94 K C 0.264 176.871 176.600 0.011 0.000 1.046 94 K CA 0.394 56.682 56.287 0.002 0.000 0.999 94 K CB 0.495 32.994 32.500 -0.002 0.000 0.941 94 K HN 0.171 nan 8.250 nan 0.000 0.474 95 K N 3.389 123.798 120.400 0.014 0.000 2.240 95 K HA 0.288 4.608 4.320 -0.000 0.000 0.271 95 K C -0.640 175.983 176.600 0.038 0.000 1.018 95 K CA -0.690 55.611 56.287 0.022 0.000 0.874 95 K CB 1.043 33.549 32.500 0.010 0.000 1.098 95 K HN 0.433 nan 8.250 nan 0.000 0.458 96 I N 2.292 122.900 120.570 0.064 0.000 2.382 96 I HA 0.151 4.321 4.170 -0.000 0.000 0.286 96 I C -0.438 175.757 176.117 0.130 0.000 1.002 96 I CA -0.189 61.177 61.300 0.109 0.000 1.135 96 I CB 1.021 39.099 38.000 0.131 0.000 1.288 96 I HN 0.516 nan 8.210 nan 0.000 0.448 97 E N 6.690 126.960 120.200 0.116 0.000 2.343 97 E HA 0.295 4.645 4.350 -0.000 0.000 0.269 97 E C -1.553 175.137 176.600 0.151 0.000 1.047 97 E CA -0.290 56.135 56.400 0.042 0.000 0.874 97 E CB 1.169 30.868 29.700 -0.002 0.000 1.033 97 E HN 0.617 nan 8.360 nan 0.000 0.409 98 Y N -0.845 119.468 120.300 0.022 0.000 2.576 98 Y HA 0.393 4.943 4.550 -0.000 0.000 0.346 98 Y C 0.058 175.942 175.900 -0.026 0.000 1.018 98 Y CA -0.987 57.082 58.100 -0.051 0.000 1.050 98 Y CB 1.153 39.541 38.460 -0.120 0.000 1.280 98 Y HN 0.308 nan 8.280 nan 0.000 0.474 99 D N 0.472 120.994 120.400 0.204 0.000 2.262 99 D HA 0.030 4.670 4.640 -0.000 0.000 0.212 99 D C -0.695 175.524 176.300 -0.134 0.000 0.964 99 D CA 1.397 55.403 54.000 0.009 0.000 0.875 99 D CB 0.308 41.152 40.800 0.073 0.000 0.996 99 D HN 0.493 nan 8.370 nan 0.000 0.497 100 Y N -0.159 120.328 120.300 0.312 0.000 2.512 100 Y HA 0.453 5.003 4.550 -0.000 0.000 0.348 100 Y C -0.629 175.228 175.900 -0.071 0.000 0.990 100 Y CA -1.182 57.049 58.100 0.218 0.000 1.033 100 Y CB 2.138 40.691 38.460 0.154 0.000 1.259 100 Y HN -0.258 nan 8.280 nan 0.000 0.461 101 L N 2.998 124.161 121.223 -0.100 0.000 2.356 101 L HA 0.794 5.134 4.340 -0.000 0.000 0.277 101 L C -1.601 175.241 176.870 -0.046 0.000 0.996 101 L CA -0.719 53.865 54.840 -0.427 0.000 0.822 101 L CB 1.688 43.128 42.059 -1.031 0.000 1.256 101 L HN 0.450 nan 8.230 nan 0.000 0.413 102 V N 6.743 126.628 119.914 -0.047 0.000 2.334 102 V HA 0.437 4.557 4.120 -0.000 0.000 0.281 102 V C 0.098 176.192 176.094 0.001 0.000 1.016 102 V CA -0.384 61.938 62.300 0.037 0.000 0.832 102 V CB 1.311 33.142 31.823 0.014 0.000 0.999 102 V HN 0.594 nan 8.190 nan 0.000 0.439 103 I N 4.405 124.994 120.570 0.031 0.000 2.312 103 I HA 0.597 4.767 4.170 -0.000 0.000 0.291 103 I C 0.621 176.760 176.117 0.037 0.000 1.031 103 I CA -0.004 61.305 61.300 0.015 0.000 1.293 103 I CB 1.311 39.317 38.000 0.009 0.000 1.403 103 I HN 0.677 nan 8.210 nan 0.000 0.484 104 A N 3.558 126.389 122.820 0.020 0.000 3.234 104 A HA 0.251 4.571 4.320 -0.000 0.000 0.247 104 A C 0.874 178.461 177.584 0.005 0.000 0.938 104 A CA -0.353 51.696 52.037 0.020 0.000 1.039 104 A CB -0.331 18.682 19.000 0.021 0.000 1.197 104 A HN 0.727 nan 8.150 nan 0.000 0.498 105 T N -2.775 111.775 114.554 -0.006 0.000 3.148 105 T HA 0.430 4.780 4.350 -0.000 0.000 0.253 105 T C 1.327 175.998 174.700 -0.049 0.000 1.134 105 T CA 0.981 63.070 62.100 -0.019 0.000 1.051 105 T CB -0.287 68.570 68.868 -0.019 0.000 0.959 105 T HN 2.083 nan 8.240 nan 0.000 0.525 106 G N 2.552 111.313 108.800 -0.066 0.000 2.645 106 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.246 106 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.246 106 G C -2.759 172.014 174.900 -0.213 0.000 1.322 106 G CA -0.508 44.508 45.100 -0.139 0.000 0.898 106 G HN 0.527 nan 8.290 nan 0.000 0.573 107 P HA 0.347 nan 4.420 nan 0.000 0.275 107 P C -0.666 176.473 177.300 -0.268 0.000 1.227 107 P CA -0.110 62.662 63.100 -0.546 0.000 0.781 107 P CB 1.201 32.003 31.700 -1.497 0.000 0.906 108 K N 3.644 123.962 120.400 -0.136 0.000 2.211 108 K HA 0.341 4.661 4.320 -0.000 0.000 0.275 108 K C -0.411 176.173 176.600 -0.027 0.000 1.024 108 K CA -0.603 55.651 56.287 -0.054 0.000 0.887 108 K CB 0.146 32.637 32.500 -0.015 0.000 1.084 108 K HN 0.414 nan 8.250 nan 0.000 0.463 109 L N 4.532 125.725 121.223 -0.050 0.000 2.331 109 L HA 0.314 4.654 4.340 -0.000 0.000 0.278 109 L C -0.554 176.144 176.870 -0.288 0.000 1.106 109 L CA -1.017 53.718 54.840 -0.174 0.000 0.824 109 L CB 1.306 43.169 42.059 -0.328 0.000 1.142 109 L HN 0.347 nan 8.230 nan 0.000 0.443 110 V N 3.909 123.624 119.914 -0.333 0.000 2.378 110 V HA 0.276 4.396 4.120 -0.000 0.000 0.288 110 V C -0.347 175.529 176.094 -0.363 0.000 1.016 110 V CA -0.314 61.845 62.300 -0.235 0.000 0.840 110 V CB 1.241 33.009 31.823 -0.093 0.000 0.994 110 V HN 0.414 nan 8.190 nan 0.000 0.431 111 F N 3.449 123.378 119.950 -0.035 0.000 2.541 111 F HA 0.381 4.908 4.527 -0.000 0.000 0.351 111 F C 1.634 177.393 175.800 -0.067 0.000 1.209 111 F CA -0.355 57.607 58.000 -0.063 0.000 1.277 111 F CB 0.585 39.543 39.000 -0.070 0.000 1.632 111 F HN 0.602 nan 8.300 nan 0.000 0.619 112 G N 1.343 110.152 108.800 0.014 0.000 2.443 112 G HA2 0.045 4.005 3.960 -0.000 0.000 0.219 112 G HA3 0.045 4.005 3.960 -0.000 0.000 0.219 112 G C 0.888 175.775 174.900 -0.022 0.000 1.131 112 G CA 0.405 45.498 45.100 -0.011 0.000 0.775 112 G HN 0.610 nan 8.290 nan 0.000 0.547 113 A N 0.618 123.411 122.820 -0.044 0.000 2.425 113 A HA 0.431 4.751 4.320 -0.000 0.000 0.249 113 A C 0.267 177.814 177.584 -0.062 0.000 1.084 113 A CA -0.425 51.562 52.037 -0.083 0.000 0.781 113 A CB 0.274 19.169 19.000 -0.175 0.000 1.019 113 A HN 0.416 nan 8.150 nan 0.000 0.490 114 E N 0.857 121.019 120.200 -0.064 0.000 2.493 114 E HA 0.279 4.629 4.350 -0.000 0.000 0.255 114 E C 1.134 177.692 176.600 -0.070 0.000 0.999 114 E CA 1.090 57.457 56.400 -0.055 0.000 0.934 114 E CB 0.185 29.854 29.700 -0.052 0.000 0.940 114 E HN 1.281 nan 8.360 nan 0.000 0.473 115 G N 3.163 111.926 108.800 -0.063 0.000 2.179 115 G HA2 -0.415 3.545 3.960 -0.000 0.000 0.260 115 G HA3 -0.415 3.545 3.960 -0.000 0.000 0.260 115 G C 0.876 175.718 174.900 -0.098 0.000 0.977 115 G CA 0.703 45.757 45.100 -0.077 0.000 0.641 115 G HN 0.627 nan 8.290 nan 0.000 0.533 116 Q N 0.044 119.792 119.800 -0.087 0.000 2.020 116 Q HA -0.082 4.258 4.340 -0.000 0.000 0.202 116 Q C 2.224 178.128 176.000 -0.160 0.000 0.982 116 Q CA 1.863 57.614 55.803 -0.087 0.000 0.838 116 Q CB -0.232 28.505 28.738 -0.001 0.000 0.899 116 Q HN 0.706 nan 8.270 nan 0.000 0.423 117 E N -0.470 119.577 120.200 -0.256 0.000 2.153 117 E HA -0.225 4.125 4.350 -0.000 0.000 0.194 117 E C 1.486 177.869 176.600 -0.362 0.000 0.988 117 E CA 1.553 57.593 56.400 -0.600 0.000 0.811 117 E CB 0.206 29.512 29.700 -0.656 0.000 0.746 117 E HN 0.458 nan 8.360 nan 0.000 0.466 118 E N -0.110 119.962 120.200 -0.214 0.000 2.140 118 E HA -0.023 4.327 4.350 -0.000 0.000 0.191 118 E C 1.484 178.008 176.600 -0.126 0.000 0.973 118 E CA 0.779 57.090 56.400 -0.149 0.000 0.829 118 E CB 0.119 29.755 29.700 -0.106 0.000 0.781 118 E HN 0.149 nan 8.360 nan 0.000 0.466 119 N N -0.430 118.195 118.700 -0.125 0.000 2.368 119 N HA 0.106 4.846 4.740 -0.000 0.000 0.178 119 N C 0.421 175.857 175.510 -0.123 0.000 1.076 119 N CA 0.242 53.229 53.050 -0.105 0.000 0.889 119 N CB 0.609 39.043 38.487 -0.089 0.000 1.040 119 N HN -0.029 nan 8.380 nan 0.000 0.463 120 S N -0.473 115.143 115.700 -0.141 0.000 2.718 120 S HA 0.598 5.068 4.470 -0.000 0.000 0.292 120 S C -0.061 174.425 174.600 -0.191 0.000 1.125 120 S CA -0.485 57.624 58.200 -0.152 0.000 1.013 120 S CB 0.769 63.931 63.200 -0.064 0.000 1.192 120 S HN 0.323 nan 8.310 nan 0.000 0.535 121 T N -0.555 113.860 114.554 -0.232 0.000 2.916 121 T HA 0.798 5.148 4.350 -0.000 0.000 0.292 121 T C -0.660 173.947 174.700 -0.156 0.000 1.064 121 T CA -0.623 61.361 62.100 -0.194 0.000 1.011 121 T CB 1.326 70.060 68.868 -0.223 0.000 1.152 121 T HN 0.780 nan 8.240 nan 0.000 0.510 122 S N 0.248 115.877 115.700 -0.119 0.000 2.661 122 S HA 0.677 5.147 4.470 -0.000 0.000 0.285 122 S C 0.213 174.762 174.600 -0.086 0.000 1.138 122 S CA -0.820 57.313 58.200 -0.111 0.000 0.855 122 S CB 1.203 64.379 63.200 -0.041 0.000 1.136 122 S HN 1.344 nan 8.310 nan 0.000 0.484 123 I N -3.033 117.496 120.570 -0.070 0.000 3.994 123 I HA 0.401 4.571 4.170 -0.000 0.000 0.323 123 I C 0.871 177.073 176.117 0.142 0.000 1.501 123 I CA -0.407 60.893 61.300 -0.000 0.000 1.112 123 I CB -0.091 37.857 38.000 -0.087 0.000 1.254 123 I HN 0.567 nan 8.210 nan 0.000 0.495 124 C N 1.690 121.078 119.300 0.146 0.000 2.468 124 C HA 0.135 4.595 4.460 -0.000 0.000 0.277 124 C C 1.623 176.808 174.990 0.326 0.000 1.400 124 C CA 1.583 60.739 59.018 0.230 0.000 1.770 124 C CB -0.774 27.063 27.740 0.163 0.000 1.905 124 C HN 0.746 nan 8.230 nan 0.000 0.519 125 T N -3.406 111.271 114.554 0.205 0.000 2.924 125 T HA 0.629 4.979 4.350 -0.000 0.000 0.291 125 T C 0.823 175.240 174.700 -0.472 0.000 1.045 125 T CA 0.076 62.185 62.100 0.014 0.000 1.015 125 T CB 1.639 70.580 68.868 0.123 0.000 1.103 125 T HN 0.086 nan 8.240 nan 0.000 0.496 126 A N 0.813 123.120 122.820 -0.855 0.000 1.940 126 A HA -0.034 4.286 4.320 -0.000 0.000 0.219 126 A C 2.021 179.387 177.584 -0.365 0.000 1.176 126 A CA 1.825 53.408 52.037 -0.757 0.000 0.631 126 A CB -1.051 17.708 19.000 -0.400 0.000 0.814 126 A HN 0.922 nan 8.150 nan 0.000 0.446 127 E N -0.476 119.556 120.200 -0.280 0.000 2.031 127 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 127 E C 2.007 178.467 176.600 -0.234 0.000 0.994 127 E CA 1.500 57.737 56.400 -0.271 0.000 0.800 127 E CB -0.410 29.118 29.700 -0.285 0.000 0.752 127 E HN 0.706 nan 8.360 nan 0.000 0.447 128 H N -0.237 118.771 119.070 -0.102 0.000 2.387 128 H HA 0.026 4.582 4.556 -0.000 0.000 0.299 128 H C 1.988 177.270 175.328 -0.076 0.000 1.090 128 H CA 1.375 57.384 56.048 -0.066 0.000 1.332 128 H CB -0.321 29.437 29.762 -0.007 0.000 1.386 128 H HN 0.227 nan 8.280 nan 0.000 0.516 129 A N 1.092 123.912 122.820 0.001 0.000 1.877 129 A HA -0.110 4.210 4.320 -0.000 0.000 0.216 129 A C 2.698 180.286 177.584 0.006 0.000 1.186 129 A CA 1.065 53.096 52.037 -0.011 0.000 0.620 129 A CB -0.866 18.095 19.000 -0.066 0.000 0.822 129 A HN 0.279 nan 8.150 nan 0.000 0.443 130 L N -0.780 120.417 121.223 -0.043 0.000 2.141 130 L HA -0.192 4.148 4.340 -0.000 0.000 0.209 130 L C 2.530 179.395 176.870 -0.008 0.000 1.094 130 L CA 1.485 56.309 54.840 -0.028 0.000 0.763 130 L CB -0.540 41.466 42.059 -0.088 0.000 0.908 130 L HN 0.466 nan 8.230 nan 0.000 0.437 131 E N -0.513 119.678 120.200 -0.016 0.000 2.110 131 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 131 E C 2.097 178.726 176.600 0.048 0.000 0.988 131 E CA 1.709 58.112 56.400 0.005 0.000 0.804 131 E CB -0.096 29.604 29.700 -0.000 0.000 0.745 131 E HN 0.429 nan 8.360 nan 0.000 0.458 132 T N 0.931 115.527 114.554 0.071 0.000 2.746 132 T HA -0.228 4.122 4.350 -0.000 0.000 0.267 132 T C 1.849 176.648 174.700 0.165 0.000 1.039 132 T CA 1.540 63.726 62.100 0.144 0.000 1.142 132 T CB -0.226 68.709 68.868 0.112 0.000 0.866 132 T HN 0.081 nan 8.240 nan 0.000 0.444 133 Q N 1.693 121.558 119.800 0.109 0.000 2.112 133 Q HA -0.126 4.214 4.340 -0.000 0.000 0.206 133 Q C 2.036 178.060 176.000 0.041 0.000 0.987 133 Q CA 1.775 57.628 55.803 0.082 0.000 0.858 133 Q CB -0.288 28.501 28.738 0.085 0.000 0.905 133 Q HN 0.464 nan 8.270 nan 0.000 0.420 134 K N -0.150 120.275 120.400 0.041 0.000 2.032 134 K HA -0.145 4.175 4.320 -0.000 0.000 0.209 134 K C 2.070 178.675 176.600 0.009 0.000 1.048 134 K CA 1.456 57.757 56.287 0.023 0.000 0.927 134 K CB -0.134 32.378 32.500 0.020 0.000 0.712 134 K HN 0.094 nan 8.250 nan 0.000 0.441 135 K N 1.066 121.501 120.400 0.058 0.000 2.147 135 K HA -0.070 4.250 4.320 -0.000 0.000 0.205 135 K C 2.181 178.764 176.600 -0.028 0.000 1.049 135 K CA 0.970 57.323 56.287 0.109 0.000 0.936 135 K CB -0.274 32.389 32.500 0.271 0.000 0.722 135 K HN 0.191 nan 8.250 nan 0.000 0.446 136 L N 1.135 122.248 121.223 -0.184 0.000 2.056 136 L HA -0.188 4.152 4.340 -0.000 0.000 0.207 136 L C 2.537 178.824 176.870 -0.972 0.000 1.078 136 L CA 1.047 55.472 54.840 -0.692 0.000 0.749 136 L CB -0.355 41.382 42.059 -0.537 0.000 0.901 136 L HN 0.146 nan 8.230 nan 0.000 0.433 137 Q N -0.204 119.331 119.800 -0.442 0.000 2.170 137 Q HA -0.266 4.074 4.340 -0.000 0.000 0.203 137 Q C 1.983 177.887 176.000 -0.160 0.000 0.976 137 Q CA 1.439 57.125 55.803 -0.195 0.000 0.858 137 Q CB -0.205 28.538 28.738 0.008 0.000 0.907 137 Q HN 0.578 nan 8.270 nan 0.000 0.433 138 E N 0.372 120.477 120.200 -0.158 0.000 2.106 138 E HA -0.170 4.180 4.350 -0.000 0.000 0.192 138 E C 2.005 178.536 176.600 -0.116 0.000 0.984 138 E CA 0.548 56.898 56.400 -0.084 0.000 0.806 138 E CB 0.025 29.706 29.700 -0.031 0.000 0.750 138 E HN 0.208 nan 8.360 nan 0.000 0.458 139 L N 0.389 121.457 121.223 -0.259 0.000 2.093 139 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 139 L C 1.910 178.698 176.870 -0.137 0.000 1.085 139 L CA 1.579 56.271 54.840 -0.247 0.000 0.755 139 L CB -0.543 41.241 42.059 -0.459 0.000 0.904 139 L HN 0.155 nan 8.230 nan 0.000 0.435 140 Y N -0.111 120.144 120.300 -0.074 0.000 2.293 140 Y HA 0.028 4.578 4.550 -0.000 0.000 0.291 140 Y C 2.607 178.486 175.900 -0.036 0.000 1.137 140 Y CA 0.546 58.611 58.100 -0.059 0.000 1.202 140 Y CB -1.564 36.867 38.460 -0.048 0.000 0.990 140 Y HN 0.287 nan 8.280 nan 0.000 0.537 141 A N 0.679 123.562 122.820 0.105 0.000 1.898 141 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 141 A C 0.399 178.003 177.584 0.033 0.000 1.181 141 A CA 1.487 53.560 52.037 0.061 0.000 0.620 141 A CB -0.892 18.132 19.000 0.040 0.000 0.819 141 A HN 0.561 nan 8.150 nan 0.000 0.442 142 N N -0.918 117.792 118.700 0.017 0.000 2.716 142 N HA 0.457 5.197 4.740 -0.000 0.000 0.253 142 N C -3.394 172.115 175.510 -0.001 0.000 1.170 142 N CA -1.684 51.369 53.050 0.006 0.000 0.807 142 N CB 0.736 39.226 38.487 0.005 0.000 1.183 142 N HN -0.065 nan 8.380 nan 0.000 0.524 143 P HA 0.270 nan 4.420 nan 0.000 0.266 143 P C 0.346 177.638 177.300 -0.013 0.000 1.195 143 P CA 0.162 63.253 63.100 -0.015 0.000 0.768 143 P CB 0.855 32.527 31.700 -0.046 0.000 0.838 144 G N 2.321 111.124 108.800 0.005 0.000 2.645 144 G HA2 0.551 4.511 3.960 -0.000 0.000 0.292 144 G HA3 0.551 4.511 3.960 -0.000 0.000 0.292 144 G C -3.226 171.701 174.900 0.045 0.000 1.415 144 G CA -1.258 43.855 45.100 0.022 0.000 0.785 144 G HN 0.214 nan 8.290 nan 0.000 0.483 145 P HA 0.320 nan 4.420 nan 0.000 0.268 145 P C -0.497 176.881 177.300 0.129 0.000 1.204 145 P CA -0.052 63.095 63.100 0.079 0.000 0.768 145 P CB 1.492 33.234 31.700 0.071 0.000 0.842 146 V N 4.355 124.356 119.914 0.144 0.000 2.495 146 V HA 0.302 4.422 4.120 -0.000 0.000 0.298 146 V C 0.194 176.392 176.094 0.174 0.000 1.031 146 V CA -0.628 61.806 62.300 0.224 0.000 0.871 146 V CB 2.155 34.118 31.823 0.233 0.000 0.988 146 V HN 0.259 nan 8.190 nan 0.000 0.432 147 V N 6.649 126.668 119.914 0.176 0.000 2.487 147 V HA 0.586 4.706 4.120 -0.000 0.000 0.298 147 V C -0.365 175.698 176.094 -0.051 0.000 1.028 147 V CA -0.388 61.981 62.300 0.116 0.000 0.860 147 V CB 1.746 33.697 31.823 0.214 0.000 0.991 147 V HN 0.687 nan 8.190 nan 0.000 0.427 148 I N 3.120 123.534 120.570 -0.259 0.000 2.689 148 I HA 0.951 5.121 4.170 -0.000 0.000 0.299 148 I C 0.661 176.044 176.117 -1.223 0.000 1.059 148 I CA -0.117 60.822 61.300 -0.602 0.000 1.055 148 I CB 2.368 40.335 38.000 -0.055 0.000 1.243 148 I HN 0.850 nan 8.210 nan 0.000 0.425 149 G N 3.176 110.978 108.800 -1.664 0.000 2.512 149 G HA2 0.605 4.565 3.960 -0.000 0.000 0.181 149 G HA3 0.605 4.565 3.960 -0.000 0.000 0.181 149 G C -2.105 172.375 174.900 -0.699 0.000 1.173 149 G CA 0.147 44.393 45.100 -1.424 0.000 0.988 149 G HN 0.887 nan 8.290 nan 0.000 0.485 150 A N -0.223 122.485 122.820 -0.186 0.000 2.427 150 A HA 0.777 5.097 4.320 -0.000 0.000 0.298 150 A C -0.068 177.622 177.584 0.177 0.000 1.036 150 A CA -0.202 51.871 52.037 0.059 0.000 0.701 150 A CB 0.790 19.857 19.000 0.111 0.000 1.250 150 A HN 1.824 nan 8.150 nan 0.000 0.412 151 I N -0.359 120.268 120.570 0.096 0.000 3.156 151 I HA 0.606 4.776 4.170 -0.000 0.000 0.306 151 I C -2.521 173.595 176.117 -0.001 0.000 1.048 151 I CA -2.615 58.694 61.300 0.015 0.000 1.207 151 I CB 0.568 38.533 38.000 -0.059 0.000 1.456 151 I HN 0.245 nan 8.210 nan 0.000 0.616 152 P HA 0.136 nan 4.420 nan 0.000 0.266 152 P C 0.585 177.863 177.300 -0.036 0.000 1.195 152 P CA 1.001 64.100 63.100 -0.000 0.000 0.768 152 P CB 0.715 32.412 31.700 -0.004 0.000 0.838 153 G N 0.752 109.539 108.800 -0.022 0.000 2.195 153 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.246 153 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.246 153 G C 0.222 175.031 174.900 -0.152 0.000 0.984 153 G CA -0.107 44.957 45.100 -0.059 0.000 0.633 153 G HN 0.546 nan 8.290 nan 0.000 0.525 154 V N 1.863 121.643 119.914 -0.224 0.000 2.872 154 V HA 0.478 4.598 4.120 -0.000 0.000 0.307 154 V C 1.080 176.826 176.094 -0.580 0.000 1.072 154 V CA 1.000 62.965 62.300 -0.558 0.000 1.148 154 V CB 1.376 32.752 31.823 -0.745 0.000 0.954 154 V HN 1.202 nan 8.190 nan 0.000 0.490 158 G N 2.343 111.371 108.800 0.380 0.000 2.529 158 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.219 158 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.219 158 G C -0.832 174.254 174.900 0.310 0.000 1.177 158 G CA 1.776 47.015 45.100 0.233 0.000 0.773 158 G HN 0.243 nan 8.290 nan 0.000 0.573 159 P HA -0.018 nan 4.420 nan 0.000 0.218 159 P C 2.065 179.534 177.300 0.283 0.000 1.148 159 P CA 1.786 65.016 63.100 0.216 0.000 0.822 159 P CB -0.123 31.661 31.700 0.140 0.000 0.784 160 A N -1.500 121.491 122.820 0.286 0.000 1.873 160 A HA -0.200 4.120 4.320 -0.000 0.000 0.215 160 A C 2.025 179.907 177.584 0.498 0.000 1.186 160 A CA 1.319 53.541 52.037 0.308 0.000 0.616 160 A CB -1.827 17.278 19.000 0.176 0.000 0.823 160 A HN 0.100 nan 8.150 nan 0.000 0.442 161 Y N 0.305 120.919 120.300 0.523 0.000 2.128 161 Y HA -0.202 4.348 4.550 0.000 0.000 0.284 161 Y C 2.543 178.671 175.900 0.379 0.000 1.154 161 Y CA 1.834 60.145 58.100 0.351 0.000 1.149 161 Y CB -0.421 38.205 38.460 0.276 0.000 0.976 161 Y HN 0.409 nan 8.280 nan 0.000 0.505 162 E N -0.685 119.848 120.200 0.554 0.000 2.038 162 E HA -0.264 4.086 4.350 -0.000 0.000 0.195 162 E C 2.049 178.858 176.600 0.348 0.000 1.000 162 E CA 1.585 58.264 56.400 0.466 0.000 0.803 162 E CB -0.516 29.370 29.700 0.309 0.000 0.750 162 E HN 0.457 nan 8.360 nan 0.000 0.448 163 F N 1.251 121.310 119.950 0.183 0.000 2.126 163 F HA -0.225 4.302 4.527 -0.000 0.000 0.299 163 F C 2.217 178.093 175.800 0.127 0.000 1.096 163 F CA 1.453 59.512 58.000 0.099 0.000 1.255 163 F CB -0.176 38.879 39.000 0.091 0.000 0.997 163 F HN -0.035 nan 8.300 nan 0.000 0.479 164 A N 0.543 123.510 122.820 0.244 0.000 1.883 164 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 164 A C 2.200 179.806 177.584 0.037 0.000 1.186 164 A CA 1.994 54.104 52.037 0.122 0.000 0.624 164 A CB -1.194 17.931 19.000 0.208 0.000 0.822 164 A HN 0.487 nan 8.150 nan 0.000 0.444 165 L N -1.275 120.018 121.223 0.116 0.000 2.109 165 L HA -0.136 4.204 4.340 -0.000 0.000 0.207 165 L C 2.841 179.853 176.870 0.237 0.000 1.086 165 L CA 1.223 56.145 54.840 0.137 0.000 0.760 165 L CB -0.398 41.701 42.059 0.066 0.000 0.910 165 L HN 0.396 nan 8.230 nan 0.000 0.437 166 M N -0.965 118.735 119.600 0.166 0.000 2.117 166 M HA -0.226 4.254 4.480 -0.000 0.000 0.262 166 M C 2.277 178.604 176.300 0.045 0.000 1.065 166 M CA 1.563 56.945 55.300 0.137 0.000 1.114 166 M CB -0.373 32.100 32.600 -0.212 0.000 1.361 166 M HN 0.218 nan 8.290 nan 0.000 0.408 167 L N -0.233 120.860 121.223 -0.217 0.000 2.046 167 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 167 L C 2.436 179.306 176.870 -0.000 0.000 1.077 167 L CA 2.189 56.893 54.840 -0.226 0.000 0.747 167 L CB -0.970 40.825 42.059 -0.440 0.000 0.896 167 L HN 0.328 nan 8.230 nan 0.000 0.432 168 H N -1.821 117.240 119.070 -0.016 0.000 2.319 168 H HA -0.312 4.244 4.556 -0.000 0.000 0.299 168 H C 2.129 177.509 175.328 0.088 0.000 1.092 168 H CA 2.488 58.552 56.048 0.026 0.000 1.302 168 H CB -0.584 29.186 29.762 0.014 0.000 1.373 168 H HN 0.513 nan 8.280 nan 0.000 0.497 169 Y N 0.936 121.252 120.300 0.027 0.000 2.128 169 Y HA -0.236 4.314 4.550 0.000 0.000 0.284 169 Y C 2.570 178.472 175.900 0.003 0.000 1.154 169 Y CA 2.195 60.308 58.100 0.022 0.000 1.149 169 Y CB -0.321 38.262 38.460 0.205 0.000 0.976 169 Y HN 0.407 nan 8.280 nan 0.000 0.505 170 E N 0.234 120.511 120.200 0.129 0.000 2.072 170 E HA -0.166 4.184 4.350 -0.000 0.000 0.191 170 E C 1.994 178.474 176.600 -0.201 0.000 0.985 170 E CA 1.797 58.207 56.400 0.016 0.000 0.801 170 E CB -0.524 29.265 29.700 0.149 0.000 0.750 170 E HN 0.609 nan 8.360 nan 0.000 0.452 171 L N 0.090 121.213 121.223 -0.165 0.000 2.093 171 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 171 L C 2.594 179.349 176.870 -0.191 0.000 1.085 171 L CA 1.327 56.071 54.840 -0.159 0.000 0.755 171 L CB -0.349 41.666 42.059 -0.073 0.000 0.904 171 L HN 0.076 nan 8.230 nan 0.000 0.435 172 K N 0.029 120.257 120.400 -0.287 0.000 2.057 172 K HA -0.157 4.163 4.320 -0.000 0.000 0.207 172 K C 2.236 178.675 176.600 -0.269 0.000 1.049 172 K CA 1.078 57.190 56.287 -0.291 0.000 0.931 172 K CB 0.155 32.403 32.500 -0.420 0.000 0.714 172 K HN -0.020 nan 8.250 nan 0.000 0.440 173 K N 0.517 120.696 120.400 -0.369 0.000 2.147 173 K HA -0.095 4.225 4.320 -0.000 0.000 0.205 173 K C 1.969 178.440 176.600 -0.215 0.000 1.049 173 K CA 1.285 57.373 56.287 -0.332 0.000 0.936 173 K CB -0.048 32.187 32.500 -0.442 0.000 0.722 173 K HN 0.189 nan 8.250 nan 0.000 0.446 174 R N -0.609 119.764 120.500 -0.212 0.000 2.307 174 R HA 0.003 4.343 4.340 -0.000 0.000 0.199 174 R C 0.975 177.221 176.300 -0.090 0.000 1.000 174 R CA 0.600 56.600 56.100 -0.166 0.000 1.023 174 R CB 0.067 30.224 30.300 -0.239 0.000 0.908 174 R HN 0.334 nan 8.270 nan 0.000 0.473 175 G N 1.922 110.676 108.800 -0.076 0.000 2.160 175 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.251 175 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.251 175 G C 0.542 175.517 174.900 0.124 0.000 1.008 175 G CA 0.595 45.695 45.100 0.001 0.000 0.724 175 G HN 0.544 nan 8.290 nan 0.000 0.514 176 I N -3.670 116.942 120.570 0.069 0.000 4.147 176 I HA 0.512 4.682 4.170 -0.000 0.000 0.329 176 I C 1.855 177.987 176.117 0.025 0.000 1.424 176 I CA -0.032 61.306 61.300 0.062 0.000 1.127 176 I CB 0.316 38.311 38.000 -0.008 0.000 1.128 176 I HN -0.001 nan 8.210 nan 0.000 0.417 177 R N 2.500 123.039 120.500 0.066 0.000 2.105 177 R HA -0.230 4.110 4.340 -0.000 0.000 0.239 177 R C 2.040 178.402 176.300 0.104 0.000 1.135 177 R CA 2.526 58.654 56.100 0.046 0.000 0.967 177 R CB -1.132 29.157 30.300 -0.018 0.000 0.861 177 R HN 0.782 nan 8.270 nan 0.000 0.442 178 Y N -1.398 118.899 120.300 -0.004 0.000 2.616 178 Y HA 0.170 4.720 4.550 -0.000 0.000 0.296 178 Y C 0.949 176.858 175.900 0.015 0.000 1.154 178 Y CA 0.531 58.637 58.100 0.011 0.000 1.325 178 Y CB 0.023 38.486 38.460 0.005 0.000 1.007 178 Y HN -0.070 nan 8.280 nan 0.000 0.542 179 K N 0.427 120.552 120.400 -0.458 0.000 2.358 179 K HA 0.276 4.596 4.320 -0.000 0.000 0.200 179 K C -0.661 175.847 176.600 -0.153 0.000 1.030 179 K CA 0.032 56.076 56.287 -0.405 0.000 1.097 179 K CB 1.228 33.445 32.500 -0.472 0.000 0.862 179 K HN 0.082 nan 8.250 nan 0.000 0.534 180 V N 3.569 123.439 119.914 -0.074 0.000 2.305 180 V HA 0.228 4.348 4.120 -0.000 0.000 0.275 180 V C -2.580 173.528 176.094 0.024 0.000 1.020 180 V CA -2.198 60.095 62.300 -0.012 0.000 0.811 180 V CB 1.030 32.856 31.823 0.006 0.000 1.031 180 V HN -0.020 nan 8.190 nan 0.000 0.439 181 P HA 0.297 nan 4.420 nan 0.000 0.268 181 P C -0.508 176.828 177.300 0.059 0.000 1.205 181 P CA 0.146 63.273 63.100 0.045 0.000 0.771 181 P CB 0.484 32.209 31.700 0.042 0.000 0.858 182 M N 1.767 121.400 119.600 0.054 0.000 2.259 182 M HA 0.366 4.846 4.480 -0.000 0.000 0.304 182 M C -0.683 175.642 176.300 0.043 0.000 1.019 182 M CA -0.124 55.206 55.300 0.052 0.000 0.922 182 M CB 2.360 34.977 32.600 0.029 0.000 1.600 182 M HN 0.172 nan 8.290 nan 0.000 0.433 183 T N 2.435 117.031 114.554 0.070 0.000 2.886 183 T HA 0.564 4.914 4.350 -0.000 0.000 0.292 183 T C -1.601 173.176 174.700 0.127 0.000 1.012 183 T CA -0.452 61.706 62.100 0.096 0.000 0.982 183 T CB 1.531 70.455 68.868 0.092 0.000 1.018 183 T HN 0.432 nan 8.240 nan 0.000 0.451 184 F N 3.800 123.770 119.950 0.033 0.000 2.426 184 F HA 0.700 5.226 4.527 -0.000 0.000 0.348 184 F C -0.937 174.923 175.800 0.100 0.000 1.124 184 F CA -1.047 56.976 58.000 0.039 0.000 1.008 184 F CB 0.586 39.667 39.000 0.136 0.000 1.139 184 F HN 0.417 nan 8.300 nan 0.000 0.452 185 I N 5.327 125.712 120.570 -0.308 0.000 2.436 185 I HA 0.371 4.541 4.170 -0.000 0.000 0.289 185 I C -0.362 175.636 176.117 -0.199 0.000 1.010 185 I CA -0.521 60.704 61.300 -0.124 0.000 1.098 185 I CB 2.108 40.098 38.000 -0.016 0.000 1.266 185 I HN 0.501 nan 8.210 nan 0.000 0.434 186 T N 2.079 116.616 114.554 -0.029 0.000 2.903 186 T HA 0.252 4.602 4.350 -0.000 0.000 0.299 186 T C 0.823 175.551 174.700 0.046 0.000 1.093 186 T CA -0.439 61.678 62.100 0.028 0.000 1.002 186 T CB 1.610 70.559 68.868 0.135 0.000 1.127 186 T HN 0.675 nan 8.240 nan 0.000 0.488 187 S N 1.972 117.732 115.700 0.100 0.000 2.522 187 S HA 0.128 4.598 4.470 -0.000 0.000 0.227 187 S C 0.519 175.065 174.600 -0.090 0.000 0.986 187 S CA -0.010 58.220 58.200 0.051 0.000 0.929 187 S CB -0.430 62.844 63.200 0.122 0.000 0.769 187 S HN 0.795 nan 8.310 nan 0.000 0.529 188 E N 3.069 123.124 120.200 -0.242 0.000 2.442 188 E HA 0.042 4.392 4.350 -0.000 0.000 0.262 188 E C -1.558 174.787 176.600 -0.424 0.000 1.004 188 E CA -1.354 54.713 56.400 -0.554 0.000 0.928 188 E CB 0.395 29.699 29.700 -0.661 0.000 0.937 188 E HN 0.215 nan 8.360 nan 0.000 0.446 189 P HA -0.132 nan 4.420 nan 0.000 0.222 189 P C -0.714 176.531 177.300 -0.093 0.000 1.147 189 P CA 1.409 64.335 63.100 -0.289 0.000 0.790 189 P CB -0.048 31.486 31.700 -0.278 0.000 0.780 190 Y N -4.407 115.794 120.300 -0.166 0.000 2.624 190 Y HA 0.532 5.082 4.550 -0.000 0.000 0.334 190 Y C -0.674 175.059 175.900 -0.279 0.000 1.155 190 Y CA -2.351 55.649 58.100 -0.166 0.000 1.046 190 Y CB -0.233 38.139 38.460 -0.147 0.000 1.316 190 Y HN -0.416 nan 8.280 nan 0.000 0.457 191 L N 2.857 123.929 121.223 -0.251 0.000 2.514 191 L HA 0.391 4.731 4.340 -0.000 0.000 0.280 191 L C 1.381 177.955 176.870 -0.494 0.000 1.223 191 L CA 1.714 56.298 54.840 -0.425 0.000 0.864 191 L CB 0.000 41.572 42.059 -0.813 0.000 1.118 191 L HN 1.178 nan 8.230 nan 0.000 0.494 192 G N 1.426 109.689 108.800 -0.896 0.000 2.198 192 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.260 192 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.260 192 G C 1.216 175.303 174.900 -1.355 0.000 1.025 192 G CA 0.673 44.810 45.100 -1.604 0.000 0.769 192 G HN 0.896 nan 8.290 nan 0.000 0.507 193 H N -0.344 118.057 119.070 -1.115 0.000 2.343 193 H HA 0.014 4.570 4.556 0.000 0.000 0.303 193 H C 2.017 176.980 175.328 -0.610 0.000 1.068 193 H CA 1.891 57.406 56.048 -0.889 0.000 1.359 193 H CB -0.085 28.980 29.762 -1.160 0.000 1.402 193 H HN 0.793 nan 8.280 nan 0.000 0.515 194 F N -0.979 118.766 119.950 -0.341 0.000 2.914 194 F HA -0.203 4.324 4.527 -0.000 0.000 0.304 194 F C 1.574 177.390 175.800 0.026 0.000 0.712 194 F CA 1.525 59.418 58.000 -0.178 0.000 1.211 194 F CB -1.974 36.889 39.000 -0.229 0.000 1.515 194 F HN 0.465 nan 8.300 nan 0.000 0.350 195 G N -0.613 108.299 108.800 0.186 0.000 2.153 195 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.252 195 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.252 195 G C 0.559 175.487 174.900 0.046 0.000 0.994 195 G CA 0.663 45.940 45.100 0.294 0.000 0.698 195 G HN 1.780 nan 8.290 nan 0.000 0.521 196 V N -4.222 115.533 119.914 -0.265 0.000 3.337 196 V HA 0.685 4.805 4.120 -0.000 0.000 0.307 196 V C 1.567 177.450 176.094 -0.351 0.000 1.505 196 V CA 1.031 63.206 62.300 -0.208 0.000 1.072 196 V CB 0.178 31.948 31.823 -0.089 0.000 0.929 196 V HN 2.148 nan 8.190 nan 0.000 0.455 197 G N -0.062 108.223 108.800 -0.858 0.000 2.160 197 G HA2 0.257 4.217 3.960 -0.000 0.000 0.244 197 G HA3 0.257 4.217 3.960 -0.000 0.000 0.244 197 G C 1.201 175.943 174.900 -0.263 0.000 1.022 197 G CA 0.306 45.081 45.100 -0.541 0.000 0.741 197 G HN 2.537 nan 8.290 nan 0.000 0.508 198 G N -1.482 107.092 108.800 -0.377 0.000 2.787 198 G HA2 0.127 4.087 3.960 -0.000 0.000 0.685 198 G HA3 0.127 4.087 3.960 -0.000 0.000 0.685 198 G C -0.391 174.464 174.900 -0.075 0.000 1.437 198 G CA -0.170 44.832 45.100 -0.164 0.000 0.872 198 G HN 1.375 nan 8.290 nan 0.000 0.566 199 I N 2.554 123.122 120.570 -0.003 0.000 2.439 199 I HA 0.559 4.729 4.170 -0.000 0.000 0.283 199 I C 1.215 177.404 176.117 0.120 0.000 1.023 199 I CA 0.418 61.758 61.300 0.067 0.000 1.100 199 I CB 0.987 39.062 38.000 0.124 0.000 1.238 199 I HN 1.936 nan 8.210 nan 0.000 0.445 200 G N 4.804 113.647 108.800 0.070 0.000 2.614 200 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.303 200 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.303 200 G C 0.640 175.563 174.900 0.039 0.000 1.270 200 G CA 0.312 45.451 45.100 0.064 0.000 0.988 200 G HN 0.980 nan 8.290 nan 0.000 0.551 201 A N 0.282 123.129 122.820 0.045 0.000 2.840 201 A HA 0.569 4.889 4.320 -0.000 0.000 0.269 201 A C 2.098 179.695 177.584 0.022 0.000 1.439 201 A CA 1.477 53.518 52.037 0.007 0.000 1.083 201 A CB -0.796 18.205 19.000 0.002 0.000 1.019 201 A HN 1.994 nan 8.150 nan 0.000 0.607 202 S N 0.226 115.962 115.700 0.059 0.000 2.399 202 S HA -0.231 4.239 4.470 -0.000 0.000 0.231 202 S C 1.863 176.387 174.600 -0.127 0.000 1.022 202 S CA 1.396 59.648 58.200 0.086 0.000 0.983 202 S CB -0.262 63.005 63.200 0.112 0.000 0.803 202 S HN 0.702 nan 8.310 nan 0.000 0.480 203 K N 1.555 121.853 120.400 -0.170 0.000 2.002 203 K HA -0.106 4.214 4.320 -0.000 0.000 0.209 203 K C 2.551 179.013 176.600 -0.230 0.000 1.048 203 K CA 1.280 57.427 56.287 -0.233 0.000 0.930 203 K CB -0.271 32.061 32.500 -0.280 0.000 0.714 203 K HN 0.387 nan 8.250 nan 0.000 0.438 204 R N 0.954 121.360 120.500 -0.157 0.000 2.081 204 R HA -0.101 4.239 4.340 -0.000 0.000 0.235 204 R C 2.511 178.752 176.300 -0.098 0.000 1.131 204 R CA 1.366 57.400 56.100 -0.110 0.000 0.960 204 R CB -0.390 29.868 30.300 -0.069 0.000 0.856 204 R HN 0.353 nan 8.270 nan 0.000 0.436 205 L N 0.142 121.322 121.223 -0.072 0.000 1.989 205 L HA -0.191 4.149 4.340 -0.000 0.000 0.211 205 L C 1.973 178.769 176.870 -0.123 0.000 1.071 205 L CA 1.583 56.397 54.840 -0.043 0.000 0.749 205 L CB -0.207 41.879 42.059 0.044 0.000 0.890 205 L HN 0.121 nan 8.230 nan 0.000 0.431 206 V N -0.261 119.506 119.914 -0.244 0.000 2.453 206 V HA -0.225 3.895 4.120 -0.000 0.000 0.247 206 V C 2.352 178.091 176.094 -0.591 0.000 1.048 206 V CA 1.815 63.820 62.300 -0.493 0.000 1.049 206 V CB -0.562 30.813 31.823 -0.747 0.000 0.672 206 V HN 0.471 nan 8.190 nan 0.000 0.457 207 E N 0.120 120.042 120.200 -0.463 0.000 2.085 207 E HA -0.244 4.106 4.350 -0.000 0.000 0.194 207 E C 1.944 178.505 176.600 -0.065 0.000 0.994 207 E CA 1.562 57.769 56.400 -0.322 0.000 0.801 207 E CB -0.137 29.443 29.700 -0.201 0.000 0.743 207 E HN 0.591 nan 8.360 nan 0.000 0.453 208 D N 0.372 120.733 120.400 -0.064 0.000 2.123 208 D HA -0.118 4.522 4.640 -0.000 0.000 0.200 208 D C 1.915 178.227 176.300 0.020 0.000 0.976 208 D CA 0.446 54.450 54.000 0.005 0.000 0.831 208 D CB -0.190 40.609 40.800 -0.002 0.000 0.974 208 D HN 0.042 nan 8.370 nan 0.000 0.469 209 L N 0.200 121.405 121.223 -0.030 0.000 2.012 209 L HA -0.162 4.178 4.340 -0.000 0.000 0.210 209 L C 2.039 178.984 176.870 0.126 0.000 1.073 209 L CA 1.496 56.329 54.840 -0.012 0.000 0.748 209 L CB -0.660 41.322 42.059 -0.127 0.000 0.891 209 L HN -0.084 nan 8.230 nan 0.000 0.431 210 F N -0.245 119.630 119.950 -0.126 0.000 2.134 210 F HA -0.104 4.423 4.527 0.000 0.000 0.299 210 F C 2.543 178.358 175.800 0.025 0.000 1.097 210 F CA 0.773 58.738 58.000 -0.059 0.000 1.264 210 F CB -1.599 37.397 39.000 -0.006 0.000 1.001 210 F HN 0.190 nan 8.300 nan 0.000 0.479 211 A N -0.106 122.871 122.820 0.262 0.000 1.908 211 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 211 A C 2.156 179.797 177.584 0.096 0.000 1.181 211 A CA 1.851 53.995 52.037 0.178 0.000 0.627 211 A CB -0.841 18.255 19.000 0.160 0.000 0.818 211 A HN 0.427 nan 8.150 nan 0.000 0.445 212 E N -0.885 119.357 120.200 0.070 0.000 2.204 212 E HA -0.108 4.242 4.350 -0.000 0.000 0.194 212 E C 1.644 178.249 176.600 0.008 0.000 0.989 212 E CA 0.819 57.244 56.400 0.042 0.000 0.824 212 E CB -0.045 29.677 29.700 0.038 0.000 0.756 212 E HN 0.508 nan 8.360 nan 0.000 0.477 213 R N 0.500 120.958 120.500 -0.070 0.000 2.468 213 R HA 0.091 4.431 4.340 -0.000 0.000 0.280 213 R C 0.049 176.221 176.300 -0.213 0.000 0.963 213 R CA -0.102 55.827 56.100 -0.285 0.000 1.083 213 R CB 0.086 29.977 30.300 -0.682 0.000 1.200 213 R HN 0.027 nan 8.270 nan 0.000 0.541 214 N N 1.358 120.031 118.700 -0.045 0.000 2.716 214 N HA -0.206 4.534 4.740 -0.000 0.000 0.250 214 N C -1.119 174.371 175.510 -0.035 0.000 1.033 214 N CA 0.498 53.552 53.050 0.007 0.000 0.727 214 N CB -0.954 37.564 38.487 0.052 0.000 0.950 214 N HN 0.304 nan 8.380 nan 0.000 0.541 215 I N 0.773 121.277 120.570 -0.110 0.000 2.291 215 I HA 0.147 4.317 4.170 -0.000 0.000 0.290 215 I C 0.326 176.451 176.117 0.014 0.000 1.050 215 I CA -0.728 60.446 61.300 -0.210 0.000 1.245 215 I CB 0.517 38.071 38.000 -0.744 0.000 1.405 215 I HN 0.128 nan 8.210 nan 0.000 0.478 216 D N 7.332 127.761 120.400 0.049 0.000 2.382 216 D HA 0.157 4.797 4.640 -0.000 0.000 0.240 216 D C -0.597 175.848 176.300 0.242 0.000 1.146 216 D CA 0.457 54.504 54.000 0.078 0.000 0.897 216 D CB 0.888 41.696 40.800 0.013 0.000 1.197 216 D HN 0.478 nan 8.370 nan 0.000 0.432 217 W N 0.195 121.577 121.300 0.137 0.000 3.167 217 W HA 0.634 5.294 4.660 0.000 0.000 0.324 217 W C -1.795 174.781 176.519 0.095 0.000 1.230 217 W CA -1.041 56.427 57.345 0.205 0.000 1.184 217 W CB 0.405 30.103 29.460 0.397 0.000 1.414 217 W HN 0.106 nan 8.180 nan 0.000 0.551 218 I N 2.526 123.302 120.570 0.343 0.000 2.497 218 I HA 0.546 4.716 4.170 -0.000 0.000 0.284 218 I C -0.027 176.214 176.117 0.208 0.000 1.060 218 I CA -0.574 60.779 61.300 0.088 0.000 1.071 218 I CB 1.570 39.396 38.000 -0.290 0.000 1.216 218 I HN 0.587 nan 8.210 nan 0.000 0.442 219 A N 3.993 127.006 122.820 0.321 0.000 2.313 219 A HA 0.734 5.054 4.320 -0.000 0.000 0.323 219 A C 0.552 178.192 177.584 0.094 0.000 1.133 219 A CA -0.422 51.741 52.037 0.211 0.000 0.847 219 A CB 0.897 20.049 19.000 0.253 0.000 1.308 219 A HN 0.793 nan 8.150 nan 0.000 0.475 220 N N -2.136 116.580 118.700 0.026 0.000 2.776 220 N HA -0.159 4.581 4.740 -0.000 0.000 0.249 220 N C -0.435 175.093 175.510 0.030 0.000 1.111 220 N CA 1.228 54.283 53.050 0.008 0.000 0.711 220 N CB -1.676 36.833 38.487 0.037 0.000 1.065 220 N HN 1.655 nan 8.380 nan 0.000 0.556 221 V N -3.937 115.992 119.914 0.025 0.000 3.102 221 V HA 0.996 5.116 4.120 -0.000 0.000 0.312 221 V C -0.018 176.121 176.094 0.075 0.000 1.135 221 V CA -0.602 61.742 62.300 0.074 0.000 1.022 221 V CB 2.140 34.005 31.823 0.070 0.000 1.056 221 V HN 0.307 nan 8.190 nan 0.000 0.436 222 A N 1.973 124.866 122.820 0.122 0.000 2.277 222 A HA 0.729 5.049 4.320 -0.000 0.000 0.318 222 A C -0.290 177.356 177.584 0.104 0.000 1.339 222 A CA -0.587 51.500 52.037 0.084 0.000 0.875 222 A CB 0.600 19.634 19.000 0.057 0.000 1.158 222 A HN 1.270 nan 8.150 nan 0.000 0.514 223 V N 4.401 124.348 119.914 0.054 0.000 2.485 223 V HA 0.033 4.153 4.120 -0.000 0.000 0.287 223 V C 0.938 176.994 176.094 -0.062 0.000 1.022 223 V CA 0.527 62.819 62.300 -0.014 0.000 1.067 223 V CB 0.485 32.188 31.823 -0.201 0.000 0.967 223 V HN 0.929 nan 8.190 nan 0.000 0.479 224 K N 3.205 123.577 120.400 -0.047 0.000 2.365 224 K HA 0.456 4.776 4.320 -0.000 0.000 0.195 224 K C 0.397 176.946 176.600 -0.084 0.000 1.079 224 K CA 0.743 56.997 56.287 -0.054 0.000 0.979 224 K CB 1.246 33.727 32.500 -0.031 0.000 0.929 224 K HN 0.719 nan 8.250 nan 0.000 0.523 225 A N 1.077 123.832 122.820 -0.108 0.000 2.517 225 A HA 0.668 4.988 4.320 -0.000 0.000 0.297 225 A C -1.273 176.217 177.584 -0.155 0.000 1.050 225 A CA -0.640 51.328 52.037 -0.115 0.000 0.694 225 A CB 1.106 20.058 19.000 -0.081 0.000 1.277 225 A HN 0.087 nan 8.150 nan 0.000 0.400 226 I N 2.578 123.050 120.570 -0.163 0.000 2.390 226 I HA 0.316 4.486 4.170 -0.000 0.000 0.283 226 I C -0.197 175.859 176.117 -0.102 0.000 1.016 226 I CA -0.356 60.846 61.300 -0.163 0.000 1.151 226 I CB 1.487 39.353 38.000 -0.223 0.000 1.293 226 I HN 0.586 nan 8.210 nan 0.000 0.458 227 E N 6.934 127.090 120.200 -0.073 0.000 2.280 227 E HA 0.299 4.649 4.350 -0.000 0.000 0.264 227 E C -1.746 174.828 176.600 -0.043 0.000 1.064 227 E CA -1.867 54.501 56.400 -0.053 0.000 0.900 227 E CB 0.895 30.571 29.700 -0.041 0.000 1.123 227 E HN 0.237 nan 8.360 nan 0.000 0.418 228 P HA -0.135 nan 4.420 nan 0.000 0.221 228 P C 0.457 177.752 177.300 -0.009 0.000 1.145 228 P CA 1.313 64.398 63.100 -0.026 0.000 0.795 228 P CB 0.280 31.966 31.700 -0.023 0.000 0.775 229 D N -1.868 118.528 120.400 -0.007 0.000 2.479 229 D HA 0.035 4.675 4.640 -0.000 0.000 0.216 229 D C 0.501 176.810 176.300 0.014 0.000 1.110 229 D CA 0.286 54.290 54.000 0.006 0.000 0.841 229 D CB 0.199 41.001 40.800 0.003 0.000 1.040 229 D HN 0.242 nan 8.370 nan 0.000 0.505 230 K N -0.746 119.658 120.400 0.006 0.000 2.548 230 K HA 0.612 4.932 4.320 -0.000 0.000 0.282 230 K C -1.580 175.024 176.600 0.007 0.000 1.006 230 K CA -0.998 55.300 56.287 0.018 0.000 0.892 230 K CB 2.127 34.634 32.500 0.010 0.000 1.499 230 K HN -0.178 nan 8.250 nan 0.000 0.433 231 V N 1.982 121.918 119.914 0.037 0.000 2.448 231 V HA 0.444 4.564 4.120 -0.000 0.000 0.295 231 V C -0.605 175.517 176.094 0.047 0.000 1.025 231 V CA -0.756 61.554 62.300 0.017 0.000 0.859 231 V CB 1.319 33.190 31.823 0.080 0.000 0.988 231 V HN 0.601 nan 8.190 nan 0.000 0.431 232 I N 6.157 126.720 120.570 -0.011 0.000 2.378 232 I HA 0.548 4.718 4.170 -0.000 0.000 0.291 232 I C -0.707 175.427 176.117 0.028 0.000 0.992 232 I CA -0.566 60.715 61.300 -0.032 0.000 1.154 232 I CB 1.275 39.232 38.000 -0.072 0.000 1.315 232 I HN 0.750 nan 8.210 nan 0.000 0.448 233 Y N 2.994 123.301 120.300 0.012 0.000 2.576 233 Y HA 0.755 5.305 4.550 0.000 0.000 0.346 233 Y C -0.946 175.001 175.900 0.078 0.000 1.018 233 Y CA -1.219 56.896 58.100 0.026 0.000 1.050 233 Y CB 1.284 39.769 38.460 0.041 0.000 1.280 233 Y HN 0.518 nan 8.280 nan 0.000 0.474 234 E N 1.981 122.322 120.200 0.234 0.000 2.210 234 E HA 0.281 4.631 4.350 -0.000 0.000 0.266 234 E C -1.467 175.284 176.600 0.252 0.000 0.883 234 E CA -0.917 55.575 56.400 0.153 0.000 0.761 234 E CB 1.342 31.078 29.700 0.060 0.000 1.156 234 E HN 0.813 nan 8.360 nan 0.000 0.412 235 D N 2.859 123.415 120.400 0.259 0.000 2.451 235 D HA 0.062 4.702 4.640 -0.000 0.000 0.259 235 D C 1.127 177.502 176.300 0.125 0.000 1.201 235 D CA -0.431 53.700 54.000 0.219 0.000 1.028 235 D CB 0.611 41.564 40.800 0.255 0.000 1.095 235 D HN 0.456 nan 8.370 nan 0.000 0.539 236 L N -0.570 120.711 121.223 0.097 0.000 2.275 236 L HA -0.039 4.301 4.340 -0.000 0.000 0.215 236 L C 1.527 178.428 176.870 0.052 0.000 1.119 236 L CA 0.874 55.751 54.840 0.062 0.000 0.790 236 L CB -0.693 41.397 42.059 0.051 0.000 0.919 236 L HN 0.420 nan 8.230 nan 0.000 0.443 237 N N -0.285 118.452 118.700 0.062 0.000 2.515 237 N HA -0.021 4.719 4.740 -0.000 0.000 0.185 237 N C 1.286 176.813 175.510 0.029 0.000 1.109 237 N CA 0.546 53.622 53.050 0.044 0.000 0.903 237 N CB 0.230 38.748 38.487 0.051 0.000 0.969 237 N HN 0.410 nan 8.380 nan 0.000 0.450 238 G N 0.730 109.550 108.800 0.034 0.000 2.176 238 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.253 238 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.253 238 G C -0.333 174.556 174.900 -0.019 0.000 0.979 238 G CA -0.352 44.754 45.100 0.010 0.000 0.641 238 G HN 0.299 nan 8.290 nan 0.000 0.530 239 N N 0.997 119.689 118.700 -0.013 0.000 2.513 239 N HA 0.504 5.244 4.740 -0.000 0.000 0.268 239 N C 0.152 175.528 175.510 -0.223 0.000 1.180 239 N CA 0.657 53.635 53.050 -0.120 0.000 0.948 239 N CB 0.935 39.363 38.487 -0.099 0.000 1.083 239 N HN 0.138 nan 8.380 nan 0.000 0.455 240 T N 1.675 116.009 114.554 -0.367 0.000 2.875 240 T HA 0.385 4.735 4.350 -0.000 0.000 0.284 240 T C -0.785 173.483 174.700 -0.719 0.000 0.995 240 T CA -0.321 61.548 62.100 -0.386 0.000 1.060 240 T CB 0.256 68.986 68.868 -0.230 0.000 0.967 240 T HN 0.458 nan 8.240 nan 0.000 0.476 241 H N 0.410 119.172 119.070 -0.513 0.000 2.865 241 H HA 0.555 5.111 4.556 -0.000 0.000 0.372 241 H C -0.414 174.588 175.328 -0.543 0.000 1.173 241 H CA -1.047 54.655 56.048 -0.578 0.000 1.147 241 H CB 1.456 30.730 29.762 -0.812 0.000 1.805 241 H HN 0.646 nan 8.280 nan 0.000 0.553 242 E N 0.678 120.794 120.200 -0.139 0.000 2.312 242 E HA 0.704 5.054 4.350 -0.000 0.000 0.267 242 E C -1.457 175.185 176.600 0.070 0.000 0.894 242 E CA -1.107 55.268 56.400 -0.042 0.000 0.773 242 E CB 2.494 32.171 29.700 -0.037 0.000 1.241 242 E HN 0.202 nan 8.360 nan 0.000 0.432 243 V N 2.684 122.670 119.914 0.120 0.000 2.577 243 V HA 0.375 4.495 4.120 -0.000 0.000 0.303 243 V C -2.419 173.733 176.094 0.097 0.000 1.042 243 V CA -2.091 60.293 62.300 0.140 0.000 0.872 243 V CB 2.037 33.990 31.823 0.216 0.000 0.998 243 V HN 0.712 nan 8.190 nan 0.000 0.423 244 P HA 0.450 nan 4.420 nan 0.000 0.268 244 P C -0.963 176.382 177.300 0.075 0.000 1.205 244 P CA 0.007 63.143 63.100 0.060 0.000 0.771 244 P CB 0.774 32.504 31.700 0.049 0.000 0.858 245 A N 2.407 125.268 122.820 0.068 0.000 2.480 245 A HA 0.354 4.674 4.320 -0.000 0.000 0.289 245 A C 0.578 178.208 177.584 0.076 0.000 1.044 245 A CA -0.526 51.563 52.037 0.087 0.000 0.761 245 A CB 1.089 20.148 19.000 0.099 0.000 1.289 245 A HN 0.490 nan 8.150 nan 0.000 0.401 246 K N 1.611 122.071 120.400 0.101 0.000 2.202 246 K HA 0.263 4.583 4.320 -0.000 0.000 0.201 246 K C -0.274 176.423 176.600 0.161 0.000 1.051 246 K CA 0.793 57.142 56.287 0.103 0.000 0.977 246 K CB 0.167 32.723 32.500 0.093 0.000 0.792 246 K HN 0.617 nan 8.250 nan 0.000 0.469 247 F N 1.284 121.253 119.950 0.031 0.000 2.547 247 F HA 0.343 4.870 4.527 -0.000 0.000 0.316 247 F C -0.998 174.848 175.800 0.076 0.000 1.121 247 F CA -0.566 57.457 58.000 0.038 0.000 0.911 247 F CB 1.875 40.888 39.000 0.021 0.000 1.179 247 F HN -0.031 nan 8.300 nan 0.000 0.443 248 T N 4.593 118.750 114.554 -0.662 0.000 2.906 248 T HA 0.652 5.002 4.350 -0.000 0.000 0.295 248 T C -1.191 173.107 174.700 -0.670 0.000 1.061 248 T CA -0.855 61.014 62.100 -0.383 0.000 1.000 248 T CB 1.859 70.746 68.868 0.033 0.000 1.103 248 T HN 0.695 nan 8.240 nan 0.000 0.486 249 M N 3.084 122.487 119.600 -0.329 0.000 2.122 249 M HA 0.523 5.003 4.480 -0.000 0.000 0.269 249 M C -2.468 173.619 176.300 -0.356 0.000 0.954 249 M CA -1.016 54.091 55.300 -0.323 0.000 0.998 249 M CB 0.729 33.122 32.600 -0.346 0.000 1.755 249 M HN 0.827 nan 8.290 nan 0.000 0.459 250 F N 3.835 123.668 119.950 -0.195 0.000 2.508 250 F HA 0.589 5.116 4.527 -0.000 0.000 0.325 250 F C 0.418 176.127 175.800 -0.152 0.000 1.090 250 F CA -0.719 57.183 58.000 -0.164 0.000 0.945 250 F CB 1.778 40.698 39.000 -0.135 0.000 1.156 250 F HN 0.372 nan 8.300 nan 0.000 0.463 251 M N 5.027 124.604 119.600 -0.039 0.000 2.200 251 M HA 0.229 4.709 4.480 -0.000 0.000 0.355 251 M C -2.363 173.842 176.300 -0.158 0.000 1.283 251 M CA -1.983 53.238 55.300 -0.131 0.000 1.124 251 M CB 0.144 32.600 32.600 -0.240 0.000 1.625 251 M HN 0.191 nan 8.290 nan 0.000 0.463 252 P HA 0.187 nan 4.420 nan 0.000 0.276 252 P C -0.434 176.599 177.300 -0.446 0.000 1.252 252 P CA -0.391 62.478 63.100 -0.384 0.000 0.802 252 P CB 0.496 31.745 31.700 -0.751 0.000 1.035 253 S N 0.187 115.665 115.700 -0.371 0.000 2.645 253 S HA 0.541 5.011 4.470 -0.000 0.000 0.266 253 S C -0.363 174.109 174.600 -0.213 0.000 1.258 253 S CA -0.364 57.595 58.200 -0.402 0.000 0.990 253 S CB -0.057 63.005 63.200 -0.230 0.000 0.967 253 S HN 0.204 nan 8.310 nan 0.000 0.556 254 F N 0.961 120.823 119.950 -0.147 0.000 2.492 254 F HA 0.600 5.127 4.527 0.000 0.000 0.327 254 F C 0.513 176.264 175.800 -0.080 0.000 1.079 254 F CA -1.077 56.852 58.000 -0.119 0.000 0.967 254 F CB 1.674 40.618 39.000 -0.093 0.000 1.169 254 F HN 0.876 nan 8.300 nan 0.000 0.472 255 Q N 0.662 120.542 119.800 0.134 0.000 2.683 255 Q HA 0.823 5.163 4.340 -0.000 0.000 0.302 255 Q C -0.570 175.451 176.000 0.035 0.000 1.042 255 Q CA -1.336 54.506 55.803 0.066 0.000 0.773 255 Q CB 1.983 30.741 28.738 0.034 0.000 1.508 255 Q HN 0.751 nan 8.270 nan 0.000 0.459 256 G N 0.800 109.614 108.800 0.023 0.000 2.537 256 G HA2 0.532 4.492 3.960 -0.000 0.000 0.273 256 G HA3 0.532 4.492 3.960 -0.000 0.000 0.273 256 G C -2.406 172.496 174.900 0.003 0.000 1.189 256 G CA -1.134 43.971 45.100 0.008 0.000 0.881 256 G HN 0.559 nan 8.290 nan 0.000 0.535 257 P HA 0.249 nan 4.420 nan 0.000 0.278 257 P C 0.347 177.648 177.300 0.002 0.000 1.266 257 P CA -0.460 62.639 63.100 -0.002 0.000 0.807 257 P CB 1.583 33.279 31.700 -0.008 0.000 1.094 258 E N 0.169 120.371 120.200 0.004 0.000 2.204 258 E HA -0.084 4.266 4.350 -0.000 0.000 0.194 258 E C 1.732 178.333 176.600 0.001 0.000 0.989 258 E CA 0.665 57.067 56.400 0.004 0.000 0.824 258 E CB -0.826 28.878 29.700 0.006 0.000 0.756 258 E HN 0.173 nan 8.360 nan 0.000 0.477 259 V N 0.603 120.516 119.914 -0.001 0.000 2.392 259 V HA -0.217 3.903 4.120 -0.000 0.000 0.249 259 V C 2.180 178.270 176.094 -0.007 0.000 1.059 259 V CA 1.412 63.709 62.300 -0.004 0.000 1.051 259 V CB -0.109 31.710 31.823 -0.006 0.000 0.658 259 V HN 0.052 nan 8.190 nan 0.000 0.455 260 V N 0.311 120.221 119.914 -0.006 0.000 2.379 260 V HA -0.091 4.029 4.120 -0.000 0.000 0.245 260 V C 2.805 178.897 176.094 -0.003 0.000 1.044 260 V CA 1.726 64.022 62.300 -0.006 0.000 1.036 260 V CB -1.092 30.731 31.823 -0.000 0.000 0.664 260 V HN 0.625 nan 8.190 nan 0.000 0.453 261 A N 0.912 123.733 122.820 0.001 0.000 2.024 261 A HA -0.236 4.084 4.320 -0.000 0.000 0.220 261 A C 2.524 180.108 177.584 0.001 0.000 1.164 261 A CA 2.278 54.317 52.037 0.004 0.000 0.643 261 A CB -0.701 18.302 19.000 0.006 0.000 0.806 261 A HN 0.702 nan 8.150 nan 0.000 0.451 262 S N -0.028 115.670 115.700 -0.003 0.000 2.423 262 S HA 0.308 4.778 4.470 -0.000 0.000 0.231 262 S C 1.231 175.823 174.600 -0.013 0.000 1.014 262 S CA 0.648 58.845 58.200 -0.006 0.000 0.965 262 S CB -0.766 62.431 63.200 -0.005 0.000 0.785 262 S HN 0.968 nan 8.310 nan 0.000 0.495 263 A N 1.622 124.429 122.820 -0.023 0.000 2.325 263 A HA 0.629 4.949 4.320 -0.000 0.000 0.260 263 A C 1.041 178.619 177.584 -0.010 0.000 1.133 263 A CA -0.112 51.898 52.037 -0.046 0.000 0.801 263 A CB -0.871 18.084 19.000 -0.074 0.000 1.092 263 A HN 0.633 nan 8.150 nan 0.000 0.504 264 G N -0.985 107.821 108.800 0.011 0.000 2.631 264 G HA2 0.301 4.261 3.960 -0.000 0.000 0.271 264 G HA3 0.301 4.261 3.960 -0.000 0.000 0.271 264 G C 0.330 175.263 174.900 0.056 0.000 1.302 264 G CA 0.489 45.625 45.100 0.060 0.000 1.002 264 G HN 0.819 nan 8.290 nan 0.000 0.519 265 D N -1.055 119.377 120.400 0.053 0.000 2.363 265 D HA -0.031 4.609 4.640 -0.000 0.000 0.226 265 D C 1.378 177.707 176.300 0.049 0.000 1.020 265 D CA 0.431 54.455 54.000 0.040 0.000 0.892 265 D CB 0.211 41.028 40.800 0.028 0.000 0.900 265 D HN 0.214 nan 8.370 nan 0.000 0.531 266 K N 0.153 120.604 120.400 0.085 0.000 2.426 266 K HA 0.142 4.462 4.320 -0.000 0.000 0.193 266 K C 1.534 178.204 176.600 0.116 0.000 1.028 266 K CA 0.124 56.467 56.287 0.093 0.000 1.047 266 K CB 0.928 33.499 32.500 0.117 0.000 0.821 266 K HN 0.194 nan 8.250 nan 0.000 0.513 267 V N 0.103 120.079 119.914 0.104 0.000 3.090 267 V HA 0.227 4.347 4.120 -0.000 0.000 0.237 267 V C 0.661 176.775 176.094 0.034 0.000 1.209 267 V CA 0.343 62.687 62.300 0.072 0.000 1.209 267 V CB 0.305 32.154 31.823 0.042 0.000 0.971 267 V HN 0.078 nan 8.190 nan 0.000 0.477 268 A N 2.005 124.842 122.820 0.028 0.000 2.260 268 A HA 0.364 4.684 4.320 -0.000 0.000 0.312 268 A C 0.213 177.807 177.584 0.017 0.000 1.321 268 A CA -0.251 51.797 52.037 0.018 0.000 0.928 268 A CB -0.235 18.773 19.000 0.014 0.000 1.158 268 A HN 0.382 nan 8.150 nan 0.000 0.542 269 N N 4.590 123.298 118.700 0.013 0.000 2.365 269 N HA -0.013 4.727 4.740 -0.000 0.000 0.265 269 N C -1.386 174.131 175.510 0.011 0.000 1.288 269 N CA -0.908 52.148 53.050 0.010 0.000 0.869 269 N CB 1.057 39.548 38.487 0.008 0.000 1.071 269 N HN 0.349 nan 8.380 nan 0.000 0.480 270 P HA -0.130 nan 4.420 nan 0.000 0.219 270 P C 0.645 177.950 177.300 0.009 0.000 1.146 270 P CA 1.111 64.217 63.100 0.010 0.000 0.808 270 P CB 0.176 31.881 31.700 0.008 0.000 0.779 271 A N 0.473 123.298 122.820 0.009 0.000 1.984 271 A HA -0.062 4.258 4.320 -0.000 0.000 0.214 271 A C 1.563 179.153 177.584 0.011 0.000 1.173 271 A CA 1.434 53.476 52.037 0.009 0.000 0.673 271 A CB -0.718 18.286 19.000 0.008 0.000 0.830 271 A HN 0.379 nan 8.150 nan 0.000 0.453 272 N N -2.975 115.733 118.700 0.014 0.000 2.082 272 N HA 0.085 4.824 4.740 -0.000 0.000 0.228 272 N C 0.111 175.633 175.510 0.020 0.000 1.341 272 N CA 0.334 53.395 53.050 0.018 0.000 0.873 272 N CB -0.046 38.456 38.487 0.025 0.000 1.137 272 N HN 0.281 nan 8.380 nan 0.000 0.505 273 K N -0.341 120.069 120.400 0.016 0.000 3.274 273 K HA -0.207 4.113 4.320 -0.000 0.000 0.305 273 K C -0.449 176.161 176.600 0.016 0.000 1.225 273 K CA 0.959 57.255 56.287 0.015 0.000 0.904 273 K CB -1.554 30.954 32.500 0.013 0.000 1.227 273 K HN 0.429 nan 8.250 nan 0.000 0.453 274 M N 0.805 120.417 119.600 0.021 0.000 2.247 274 M HA 0.141 4.621 4.480 -0.000 0.000 0.326 274 M C 0.701 177.013 176.300 0.019 0.000 1.134 274 M CA -0.464 54.850 55.300 0.024 0.000 1.136 274 M CB 0.944 33.565 32.600 0.035 0.000 1.454 274 M HN -0.184 nan 8.290 nan 0.000 0.467 275 V N 3.295 123.223 119.914 0.024 0.000 2.485 275 V HA 0.035 4.155 4.120 -0.000 0.000 0.287 275 V C 0.321 176.418 176.094 0.005 0.000 1.022 275 V CA 0.042 62.355 62.300 0.021 0.000 1.067 275 V CB -0.503 31.343 31.823 0.038 0.000 0.967 275 V HN 0.566 nan 8.190 nan 0.000 0.479 276 I N 6.639 127.208 120.570 -0.002 0.000 2.505 276 I HA 0.231 4.401 4.170 -0.000 0.000 0.287 276 I C 0.168 176.255 176.117 -0.050 0.000 1.104 276 I CA 0.388 61.673 61.300 -0.025 0.000 1.387 276 I CB 0.473 38.467 38.000 -0.011 0.000 1.404 276 I HN 0.578 nan 8.210 nan 0.000 0.528 277 V N 2.978 122.827 119.914 -0.108 0.000 3.040 277 V HA 0.644 4.764 4.120 -0.000 0.000 0.312 277 V C -0.493 175.476 176.094 -0.209 0.000 1.115 277 V CA -0.963 61.238 62.300 -0.165 0.000 0.998 277 V CB 1.865 33.544 31.823 -0.241 0.000 1.042 277 V HN 0.779 nan 8.190 nan 0.000 0.433 278 N N 1.897 120.489 118.700 -0.179 0.000 2.593 278 N HA 0.416 5.156 4.740 -0.000 0.000 0.304 278 N C 0.729 176.130 175.510 -0.181 0.000 1.296 278 N CA -0.587 52.376 53.050 -0.145 0.000 0.950 278 N CB 0.198 38.642 38.487 -0.072 0.000 1.127 278 N HN 0.617 nan 8.380 nan 0.000 0.587 279 R N -1.169 119.291 120.500 -0.067 0.000 2.159 279 R HA 0.019 4.359 4.340 -0.000 0.000 0.237 279 R C 0.682 177.088 176.300 0.177 0.000 1.131 279 R CA 1.302 57.413 56.100 0.020 0.000 0.982 279 R CB -0.641 29.688 30.300 0.048 0.000 0.868 279 R HN 0.521 nan 8.270 nan 0.000 0.453 280 c N -0.030 118.675 118.600 0.175 0.000 2.625 280 c HA 0.233 4.803 4.570 -0.000 0.000 0.285 280 c C -0.087 174.283 174.090 0.467 0.000 1.279 280 c CA -0.691 55.824 56.329 0.311 0.000 1.698 280 c CB -1.553 41.102 42.510 0.242 0.000 1.821 280 c HN 0.527 nan 8.230 nan 0.000 0.600 281 F N 0.795 120.834 119.950 0.149 0.000 3.100 281 F HA -0.209 4.318 4.527 -0.000 0.000 0.283 281 F C 0.648 176.549 175.800 0.168 0.000 0.900 281 F CA 1.275 59.371 58.000 0.160 0.000 1.010 281 F CB -1.542 37.566 39.000 0.180 0.000 1.029 281 F HN 0.497 nan 8.300 nan 0.000 0.637 282 Q N 0.552 120.389 119.800 0.061 0.000 2.309 282 Q HA 0.405 4.745 4.340 -0.000 0.000 0.264 282 Q C -0.023 175.843 176.000 -0.223 0.000 1.008 282 Q CA -1.042 54.561 55.803 -0.334 0.000 0.853 282 Q CB 1.474 29.956 28.738 -0.426 0.000 1.314 282 Q HN 0.232 nan 8.270 nan 0.000 0.448 283 N N 3.764 122.321 118.700 -0.239 0.000 2.483 283 N HA 0.077 4.817 4.740 -0.000 0.000 0.264 283 N C -1.994 173.458 175.510 -0.097 0.000 1.197 283 N CA -1.094 51.895 53.050 -0.101 0.000 0.927 283 N CB 1.117 39.600 38.487 -0.008 0.000 1.065 283 N HN 0.410 nan 8.380 nan 0.000 0.461 284 P HA -0.132 nan 4.420 nan 0.000 0.219 284 P C 0.749 177.994 177.300 -0.091 0.000 1.146 284 P CA 1.463 64.520 63.100 -0.073 0.000 0.808 284 P CB 0.166 31.830 31.700 -0.060 0.000 0.779 285 T N -5.795 108.695 114.554 -0.107 0.000 3.046 285 T HA 0.034 4.384 4.350 -0.000 0.000 0.242 285 T C 0.486 174.970 174.700 -0.361 0.000 1.018 285 T CA 0.185 62.139 62.100 -0.243 0.000 1.131 285 T CB -0.719 67.959 68.868 -0.316 0.000 0.904 285 T HN -0.087 nan 8.240 nan 0.000 0.459 286 Y N 2.305 122.580 120.300 -0.042 0.000 2.595 286 Y HA 0.489 5.039 4.550 -0.000 0.000 0.336 286 Y C 1.246 177.103 175.900 -0.072 0.000 0.996 286 Y CA -1.182 56.900 58.100 -0.031 0.000 1.260 286 Y CB 1.046 39.506 38.460 0.001 0.000 1.108 286 Y HN -0.092 nan 8.280 nan 0.000 0.509 287 K N 1.371 121.788 120.400 0.028 0.000 2.362 287 K HA -0.105 4.215 4.320 -0.000 0.000 0.200 287 K C 0.873 177.462 176.600 -0.018 0.000 1.046 287 K CA 0.642 56.907 56.287 -0.038 0.000 0.952 287 K CB -0.033 32.473 32.500 0.009 0.000 0.753 287 K HN 0.716 nan 8.250 nan 0.000 0.466 288 N N 0.453 119.210 118.700 0.096 0.000 2.322 288 N HA 0.004 4.744 4.740 -0.000 0.000 0.194 288 N C 0.185 175.859 175.510 0.272 0.000 1.126 288 N CA 0.009 53.198 53.050 0.233 0.000 0.845 288 N CB -0.002 38.499 38.487 0.023 0.000 0.976 288 N HN 0.082 nan 8.380 nan 0.000 0.475 289 I N 0.712 121.309 120.570 0.045 0.000 2.377 289 I HA 0.370 4.540 4.170 -0.000 0.000 0.293 289 I C -0.927 175.087 176.117 -0.171 0.000 0.987 289 I CA -0.823 60.493 61.300 0.027 0.000 1.185 289 I CB 0.853 38.864 38.000 0.017 0.000 1.341 289 I HN -0.226 nan 8.210 nan 0.000 0.455 290 F N 2.830 122.824 119.950 0.074 0.000 2.563 290 F HA 0.674 5.201 4.527 -0.000 0.000 0.316 290 F C 0.611 176.463 175.800 0.085 0.000 1.076 290 F CA -0.774 57.287 58.000 0.103 0.000 0.921 290 F CB 2.115 41.183 39.000 0.113 0.000 1.209 290 F HN 0.348 nan 8.300 nan 0.000 0.462 291 G N 1.071 110.052 108.800 0.302 0.000 2.415 291 G HA2 0.623 4.583 3.960 -0.000 0.000 0.327 291 G HA3 0.623 4.583 3.960 -0.000 0.000 0.327 291 G C -1.870 173.215 174.900 0.308 0.000 1.182 291 G CA -0.734 44.511 45.100 0.241 0.000 0.924 291 G HN 0.492 nan 8.290 nan 0.000 0.470 292 V N 1.726 121.750 119.914 0.183 0.000 2.577 292 V HA 0.902 5.022 4.120 -0.000 0.000 0.303 292 V C 0.734 176.870 176.094 0.070 0.000 1.042 292 V CA 0.709 63.072 62.300 0.104 0.000 0.872 292 V CB 0.770 32.615 31.823 0.037 0.000 0.998 292 V HN 1.835 nan 8.190 nan 0.000 0.423 293 G N 3.526 112.359 108.800 0.056 0.000 2.472 293 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.205 293 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.205 293 G C 0.443 175.378 174.900 0.059 0.000 1.270 293 G CA -0.211 44.909 45.100 0.033 0.000 0.974 293 G HN 0.825 nan 8.290 nan 0.000 0.542 294 V N 0.189 120.106 119.914 0.005 0.000 2.469 294 V HA -0.140 3.980 4.120 -0.000 0.000 0.251 294 V C 2.978 179.078 176.094 0.010 0.000 1.064 294 V CA 2.305 64.601 62.300 -0.007 0.000 1.066 294 V CB -0.455 31.277 31.823 -0.151 0.000 0.667 294 V HN 1.038 nan 8.190 nan 0.000 0.461 295 V N 0.910 120.825 119.914 0.001 0.000 3.078 295 V HA -0.078 4.042 4.120 -0.000 0.000 0.265 295 V C 1.415 177.544 176.094 0.058 0.000 1.122 295 V CA 1.483 63.792 62.300 0.015 0.000 1.141 295 V CB -0.771 31.055 31.823 0.005 0.000 0.735 295 V HN 0.815 nan 8.190 nan 0.000 0.498 296 T N 0.142 114.758 114.554 0.104 0.000 2.884 296 T HA 0.574 4.924 4.350 -0.000 0.000 0.298 296 T C 0.025 174.771 174.700 0.077 0.000 0.998 296 T CA -0.049 62.124 62.100 0.122 0.000 1.124 296 T CB 1.441 70.469 68.868 0.267 0.000 0.931 296 T HN 0.464 nan 8.240 nan 0.000 0.531 297 A N 4.432 127.268 122.820 0.026 0.000 2.376 297 A HA 0.577 4.897 4.320 -0.000 0.000 0.298 297 A C 0.144 177.719 177.584 -0.014 0.000 1.271 297 A CA -0.767 51.277 52.037 0.012 0.000 0.926 297 A CB -0.632 18.367 19.000 -0.002 0.000 1.141 297 A HN 0.895 nan 8.150 nan 0.000 0.539 298 I N 4.300 124.883 120.570 0.021 0.000 2.436 298 I HA 0.302 4.472 4.170 -0.000 0.000 0.289 298 I C -2.227 173.906 176.117 0.027 0.000 1.010 298 I CA -2.203 59.106 61.300 0.016 0.000 1.098 298 I CB 2.073 40.115 38.000 0.069 0.000 1.266 298 I HN 0.416 nan 8.210 nan 0.000 0.434 299 P HA 0.155 nan 4.420 nan 0.000 0.267 299 P C -2.468 174.854 177.300 0.037 0.000 1.200 299 P CA -0.776 62.337 63.100 0.020 0.000 0.772 299 P CB -0.321 31.385 31.700 0.010 0.000 0.855 300 P HA 0.115 nan 4.420 nan 0.000 0.268 300 P C 0.875 178.206 177.300 0.052 0.000 1.205 300 P CA 0.127 63.262 63.100 0.057 0.000 0.771 300 P CB 0.351 32.086 31.700 0.057 0.000 0.858 301 I N 0.287 120.893 120.570 0.059 0.000 2.286 301 I HA -0.134 4.036 4.170 -0.000 0.000 0.248 301 I C 1.210 177.358 176.117 0.052 0.000 1.115 301 I CA 1.537 62.864 61.300 0.044 0.000 1.392 301 I CB 0.045 38.060 38.000 0.025 0.000 1.065 301 I HN 0.435 nan 8.210 nan 0.000 0.418 302 E N 0.860 121.106 120.200 0.077 0.000 2.290 302 E HA 0.140 4.490 4.350 -0.000 0.000 0.274 302 E C -0.733 175.905 176.600 0.063 0.000 0.889 302 E CA -0.702 55.748 56.400 0.083 0.000 0.760 302 E CB 1.295 31.083 29.700 0.146 0.000 1.206 302 E HN -0.112 nan 8.360 nan 0.000 0.419 303 K N 3.935 124.359 120.400 0.040 0.000 2.228 303 K HA 0.103 4.423 4.320 -0.000 0.000 0.284 303 K C -0.439 176.164 176.600 0.006 0.000 1.088 303 K CA 0.045 56.345 56.287 0.022 0.000 0.941 303 K CB -0.019 32.492 32.500 0.019 0.000 1.158 303 K HN 0.547 nan 8.250 nan 0.000 0.438 304 T N 1.961 116.502 114.554 -0.021 0.000 2.913 304 T HA 0.241 4.591 4.350 -0.000 0.000 0.287 304 T C -1.739 172.931 174.700 -0.049 0.000 1.008 304 T CA -1.836 60.220 62.100 -0.075 0.000 1.067 304 T CB 1.268 70.016 68.868 -0.201 0.000 0.996 304 T HN 0.285 nan 8.240 nan 0.000 0.513 305 P HA -0.024 nan 4.420 nan 0.000 0.216 305 P C 0.253 177.543 177.300 -0.016 0.000 1.157 305 P CA 0.962 64.050 63.100 -0.020 0.000 0.880 305 P CB 0.002 31.694 31.700 -0.013 0.000 0.791 306 I N 0.521 121.072 120.570 -0.032 0.000 2.315 306 I HA 0.208 4.378 4.170 -0.000 0.000 0.291 306 I C -2.277 173.827 176.117 -0.021 0.000 1.006 306 I CA -3.665 57.626 61.300 -0.015 0.000 1.265 306 I CB 0.494 38.490 38.000 -0.006 0.000 1.387 306 I HN -0.142 nan 8.210 nan 0.000 0.475 307 P HA 0.057 nan 4.420 nan 0.000 0.262 307 P C -0.209 177.109 177.300 0.030 0.000 1.182 307 P CA 0.334 63.437 63.100 0.006 0.000 0.761 307 P CB 0.265 31.968 31.700 0.006 0.000 0.795 308 T N 0.068 114.652 114.554 0.050 0.000 2.896 308 T HA 0.768 5.118 4.350 -0.000 0.000 0.297 308 T C -0.069 174.705 174.700 0.124 0.000 1.108 308 T CA -0.870 61.316 62.100 0.142 0.000 1.004 308 T CB 2.047 71.028 68.868 0.189 0.000 1.159 308 T HN 0.400 nan 8.240 nan 0.000 0.499 309 G N -0.421 108.465 108.800 0.143 0.000 2.644 309 G HA2 0.629 4.589 3.960 -0.000 0.000 0.307 309 G HA3 0.629 4.589 3.960 -0.000 0.000 0.307 309 G C -0.954 174.039 174.900 0.156 0.000 1.250 309 G CA -0.832 44.332 45.100 0.106 0.000 0.996 309 G HN 0.935 nan 8.290 nan 0.000 0.489 310 V N 2.083 122.070 119.914 0.120 0.000 2.530 310 V HA 0.461 4.581 4.120 -0.000 0.000 0.282 310 V C -1.738 174.428 176.094 0.119 0.000 1.048 310 V CA -1.777 60.595 62.300 0.121 0.000 0.997 310 V CB 1.416 33.295 31.823 0.093 0.000 0.987 310 V HN 0.601 nan 8.190 nan 0.000 0.477 311 P HA 0.294 nan 4.420 nan 0.000 0.275 311 P C -1.539 175.813 177.300 0.087 0.000 1.228 311 P CA -0.528 62.635 63.100 0.104 0.000 0.786 311 P CB 0.694 32.444 31.700 0.083 0.000 0.927 312 K N 1.200 121.654 120.400 0.091 0.000 2.404 312 K HA 0.334 4.654 4.320 -0.000 0.000 0.257 312 K C 0.515 177.128 176.600 0.022 0.000 1.026 312 K CA -0.375 55.950 56.287 0.062 0.000 0.951 312 K CB 0.410 32.956 32.500 0.076 0.000 1.203 312 K HN 0.449 nan 8.250 nan 0.000 0.446 313 T N -1.539 113.012 114.554 -0.004 0.000 2.816 313 T HA 0.265 4.615 4.350 -0.000 0.000 0.282 313 T C 1.576 176.253 174.700 -0.040 0.000 0.993 313 T CA -0.346 61.732 62.100 -0.037 0.000 0.994 313 T CB 1.456 70.288 68.868 -0.060 0.000 1.025 313 T HN 0.462 nan 8.240 nan 0.000 0.529 314 G N 0.427 109.190 108.800 -0.062 0.000 2.529 314 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.219 314 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.219 314 G C 1.433 176.340 174.900 0.011 0.000 1.177 314 G CA 1.288 46.359 45.100 -0.047 0.000 0.773 314 G HN 0.823 nan 8.290 nan 0.000 0.573 315 M N -0.261 119.345 119.600 0.009 0.000 2.086 315 M HA 0.035 4.515 4.480 -0.000 0.000 0.261 315 M C 2.668 178.983 176.300 0.025 0.000 1.067 315 M CA 1.522 56.848 55.300 0.044 0.000 1.116 315 M CB -0.150 32.475 32.600 0.042 0.000 1.348 315 M HN 0.267 nan 8.290 nan 0.000 0.407 316 M N -0.016 119.583 119.600 -0.002 0.000 2.106 316 M HA -0.251 4.229 4.480 -0.000 0.000 0.259 316 M C 1.968 178.231 176.300 -0.062 0.000 1.068 316 M CA 1.789 57.075 55.300 -0.023 0.000 1.100 316 M CB -0.591 32.002 32.600 -0.011 0.000 1.351 316 M HN 0.355 nan 8.290 nan 0.000 0.404 317 I N -0.394 120.151 120.570 -0.041 0.000 2.353 317 I HA -0.225 3.945 4.170 -0.000 0.000 0.248 317 I C 2.156 178.250 176.117 -0.039 0.000 1.119 317 I CA 1.227 62.495 61.300 -0.054 0.000 1.417 317 I CB -0.474 37.514 38.000 -0.021 0.000 1.078 317 I HN 0.323 nan 8.210 nan 0.000 0.421 318 E N 0.608 120.820 120.200 0.019 0.000 2.110 318 E HA -0.261 4.089 4.350 -0.000 0.000 0.193 318 E C 2.211 178.812 176.600 0.001 0.000 0.988 318 E CA 1.103 57.532 56.400 0.048 0.000 0.804 318 E CB -0.063 29.716 29.700 0.131 0.000 0.745 318 E HN 0.571 nan 8.360 nan 0.000 0.458 319 Q N -0.010 119.778 119.800 -0.019 0.000 2.079 319 Q HA -0.103 4.237 4.340 -0.000 0.000 0.200 319 Q C 2.208 178.142 176.000 -0.111 0.000 0.974 319 Q CA 1.157 56.937 55.803 -0.038 0.000 0.840 319 Q CB -0.056 28.672 28.738 -0.018 0.000 0.898 319 Q HN 0.322 nan 8.270 nan 0.000 0.430 320 M N 0.261 119.723 119.600 -0.230 0.000 2.080 320 M HA -0.203 4.277 4.480 -0.000 0.000 0.260 320 M C 2.425 178.613 176.300 -0.187 0.000 1.068 320 M CA 1.651 56.711 55.300 -0.400 0.000 1.109 320 M CB -0.454 31.796 32.600 -0.583 0.000 1.342 320 M HN 0.248 nan 8.290 nan 0.000 0.405 321 A N 0.177 122.926 122.820 -0.118 0.000 1.908 321 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 321 A C 2.170 179.714 177.584 -0.067 0.000 1.181 321 A CA 1.763 53.754 52.037 -0.077 0.000 0.627 321 A CB -0.658 18.309 19.000 -0.056 0.000 0.818 321 A HN 0.471 nan 8.150 nan 0.000 0.445 322 M N -0.750 118.826 119.600 -0.040 0.000 2.086 322 M HA -0.170 4.310 4.480 -0.000 0.000 0.261 322 M C 2.605 178.939 176.300 0.057 0.000 1.067 322 M CA 1.551 56.856 55.300 0.009 0.000 1.116 322 M CB -0.453 32.159 32.600 0.020 0.000 1.348 322 M HN 0.503 nan 8.290 nan 0.000 0.407 323 A N -0.204 122.632 122.820 0.027 0.000 1.858 323 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 323 A C 2.202 179.842 177.584 0.094 0.000 1.190 323 A CA 1.811 53.906 52.037 0.097 0.000 0.617 323 A CB -1.118 17.956 19.000 0.122 0.000 0.827 323 A HN 0.300 nan 8.150 nan 0.000 0.443 324 V N -0.063 119.858 119.914 0.011 0.000 2.287 324 V HA -0.288 3.832 4.120 -0.000 0.000 0.248 324 V C 3.085 178.994 176.094 -0.309 0.000 1.053 324 V CA 2.108 64.327 62.300 -0.136 0.000 1.027 324 V CB -1.314 30.454 31.823 -0.091 0.000 0.646 324 V HN 0.646 nan 8.190 nan 0.000 0.447 325 A N -1.092 121.598 122.820 -0.217 0.000 1.883 325 A HA -0.283 4.037 4.320 -0.000 0.000 0.217 325 A C 2.130 179.549 177.584 -0.276 0.000 1.186 325 A CA 2.026 53.900 52.037 -0.271 0.000 0.624 325 A CB -0.879 17.970 19.000 -0.252 0.000 0.822 325 A HN 0.680 nan 8.150 nan 0.000 0.444 326 H N -0.291 118.683 119.070 -0.161 0.000 2.387 326 H HA -0.096 4.460 4.556 -0.000 0.000 0.299 326 H C 1.984 177.308 175.328 -0.007 0.000 1.090 326 H CA 1.685 57.669 56.048 -0.108 0.000 1.332 326 H CB -0.277 29.344 29.762 -0.236 0.000 1.386 326 H HN 0.670 nan 8.280 nan 0.000 0.516 327 N N 0.211 118.971 118.700 0.101 0.000 2.142 327 N HA -0.087 4.653 4.740 -0.000 0.000 0.186 327 N C 1.973 177.450 175.510 -0.055 0.000 1.023 327 N CA 0.710 53.827 53.050 0.111 0.000 0.852 327 N CB 0.125 38.741 38.487 0.215 0.000 0.998 327 N HN 0.215 nan 8.380 nan 0.000 0.424 328 I N 0.483 120.827 120.570 -0.377 0.000 2.163 328 I HA -0.210 3.960 4.170 -0.000 0.000 0.240 328 I C 2.111 177.987 176.117 -0.401 0.000 1.081 328 I CA 0.835 61.797 61.300 -0.564 0.000 1.353 328 I CB -0.303 37.227 38.000 -0.784 0.000 1.054 328 I HN -0.025 nan 8.210 nan 0.000 0.407 329 V N 1.357 121.110 119.914 -0.268 0.000 2.332 329 V HA -0.295 3.825 4.120 -0.000 0.000 0.248 329 V C 2.142 178.208 176.094 -0.046 0.000 1.055 329 V CA 2.082 64.288 62.300 -0.157 0.000 1.038 329 V CB -0.874 30.859 31.823 -0.149 0.000 0.651 329 V HN 0.441 nan 8.190 nan 0.000 0.450 330 N N 0.039 118.751 118.700 0.020 0.000 2.166 330 N HA -0.164 4.576 4.740 -0.000 0.000 0.186 330 N C 1.609 177.172 175.510 0.089 0.000 1.019 330 N CA 1.650 54.753 53.050 0.088 0.000 0.856 330 N CB -0.430 38.154 38.487 0.162 0.000 0.993 330 N HN 0.638 nan 8.380 nan 0.000 0.426 331 D N 0.180 120.636 120.400 0.092 0.000 2.117 331 D HA 0.016 4.656 4.640 -0.000 0.000 0.198 331 D C 1.927 178.328 176.300 0.169 0.000 0.982 331 D CA 0.645 54.743 54.000 0.163 0.000 0.828 331 D CB -0.001 40.967 40.800 0.280 0.000 0.967 331 D HN 0.166 nan 8.370 nan 0.000 0.464 332 I N 0.060 120.695 120.570 0.108 0.000 2.208 332 I HA -0.231 3.939 4.170 -0.000 0.000 0.245 332 I C 1.948 178.124 176.117 0.097 0.000 1.097 332 I CA 1.188 62.564 61.300 0.127 0.000 1.363 332 I CB -0.157 37.868 38.000 0.042 0.000 1.051 332 I HN 0.007 nan 8.210 nan 0.000 0.413 333 R N 0.689 121.229 120.500 0.068 0.000 2.334 333 R HA 0.102 4.442 4.340 -0.000 0.000 0.220 333 R C 0.072 176.412 176.300 0.067 0.000 0.917 333 R CA -0.023 56.113 56.100 0.061 0.000 1.073 333 R CB -0.086 30.243 30.300 0.047 0.000 1.056 333 R HN 0.276 nan 8.270 nan 0.000 0.506 334 N N 1.809 120.558 118.700 0.081 0.000 2.740 334 N HA -0.200 4.540 4.740 -0.000 0.000 0.248 334 N C -1.054 174.496 175.510 0.067 0.000 1.062 334 N CA 0.719 53.815 53.050 0.077 0.000 0.704 334 N CB -1.109 37.418 38.487 0.066 0.000 0.968 334 N HN 0.331 nan 8.380 nan 0.000 0.547 335 N N 1.204 119.949 118.700 0.075 0.000 2.419 335 N HA 0.230 4.970 4.740 -0.000 0.000 0.264 335 N C -1.378 174.174 175.510 0.070 0.000 1.031 335 N CA -1.686 51.407 53.050 0.072 0.000 0.951 335 N CB 1.168 39.708 38.487 0.088 0.000 1.101 335 N HN 0.031 nan 8.380 nan 0.000 0.488 336 P HA 0.047 nan 4.420 nan 0.000 0.236 336 P C -0.625 176.682 177.300 0.012 0.000 1.177 336 P CA 0.295 63.417 63.100 0.037 0.000 0.773 336 P CB 0.321 32.035 31.700 0.024 0.000 0.878 337 D N 1.687 122.086 120.400 -0.003 0.000 2.417 337 D HA 0.135 4.775 4.640 -0.000 0.000 0.250 337 D C 0.564 176.793 176.300 -0.118 0.000 1.166 337 D CA 0.781 54.720 54.000 -0.102 0.000 0.881 337 D CB 0.676 41.413 40.800 -0.106 0.000 1.164 337 D HN -0.001 nan 8.370 nan 0.000 0.467 338 K N 2.061 122.320 120.400 -0.234 0.000 2.385 338 K HA 0.442 4.762 4.320 -0.000 0.000 0.248 338 K C -0.835 175.558 176.600 -0.346 0.000 0.955 338 K CA -0.807 55.410 56.287 -0.117 0.000 0.816 338 K CB 1.620 34.145 32.500 0.042 0.000 1.250 338 K HN 0.334 nan 8.250 nan 0.000 0.434 339 Y N -0.401 119.957 120.300 0.096 0.000 2.409 339 Y HA 0.537 5.087 4.550 -0.000 0.000 0.343 339 Y C 0.084 176.057 175.900 0.120 0.000 0.973 339 Y CA -1.020 57.125 58.100 0.075 0.000 1.064 339 Y CB 2.246 40.724 38.460 0.030 0.000 1.207 339 Y HN 0.620 nan 8.280 nan 0.000 0.452 340 A N 4.865 127.829 122.820 0.240 0.000 2.317 340 A HA 0.715 5.035 4.320 -0.000 0.000 0.327 340 A C -2.759 174.946 177.584 0.203 0.000 1.178 340 A CA -2.041 50.138 52.037 0.237 0.000 0.817 340 A CB 0.525 19.634 19.000 0.183 0.000 1.189 340 A HN 0.423 nan 8.150 nan 0.000 0.489 341 P HA 0.169 nan 4.420 nan 0.000 0.275 341 P C 0.339 177.703 177.300 0.106 0.000 1.228 341 P CA -0.268 62.879 63.100 0.078 0.000 0.786 341 P CB 1.060 32.715 31.700 -0.074 0.000 0.927 342 R N 3.005 123.559 120.500 0.090 0.000 2.096 342 R HA -0.067 4.273 4.340 -0.000 0.000 0.235 342 R C 0.649 176.993 176.300 0.073 0.000 1.127 342 R CA 1.057 57.212 56.100 0.092 0.000 0.968 342 R CB -1.225 29.139 30.300 0.106 0.000 0.861 342 R HN 0.326 nan 8.270 nan 0.000 0.440 343 L N 1.288 122.543 121.223 0.053 0.000 3.608 343 L HA -0.203 4.137 4.340 -0.000 0.000 0.422 343 L C -0.455 176.421 176.870 0.011 0.000 1.260 343 L CA 1.305 56.168 54.840 0.038 0.000 0.889 343 L CB -2.863 39.246 42.059 0.084 0.000 1.821 343 L HN 0.493 nan 8.230 nan 0.000 0.884 344 S N -1.710 113.996 115.700 0.011 0.000 2.693 344 S HA 0.934 5.404 4.470 -0.000 0.000 0.276 344 S C 0.216 174.799 174.600 -0.029 0.000 1.192 344 S CA -0.153 58.020 58.200 -0.045 0.000 0.994 344 S CB 2.613 65.818 63.200 0.007 0.000 1.012 344 S HN 1.352 nan 8.310 nan 0.000 0.550 345 A N 0.762 123.524 122.820 -0.097 0.000 2.488 345 A HA 0.705 5.025 4.320 -0.000 0.000 0.295 345 A C -0.676 176.935 177.584 0.044 0.000 1.045 345 A CA -0.841 51.178 52.037 -0.031 0.000 0.703 345 A CB 0.628 19.580 19.000 -0.081 0.000 1.271 345 A HN 0.778 nan 8.150 nan 0.000 0.400 349 A N 3.864 126.614 122.820 -0.115 0.000 2.366 349 A HA 0.485 4.805 4.320 -0.000 0.000 0.322 349 A C -0.455 176.784 177.584 -0.575 0.000 1.397 349 A CA -0.254 51.692 52.037 -0.153 0.000 0.984 349 A CB 0.283 19.345 19.000 0.103 0.000 1.149 349 A HN 0.624 nan 8.150 nan 0.000 0.540 350 D N 1.906 122.184 120.400 -0.204 0.000 2.383 350 D HA 0.305 4.945 4.640 -0.000 0.000 0.252 350 D C -0.159 176.128 176.300 -0.023 0.000 1.166 350 D CA 0.039 53.960 54.000 -0.131 0.000 0.879 350 D CB 0.249 41.200 40.800 0.250 0.000 1.164 350 D HN 0.358 nan 8.370 nan 0.000 0.462 351 F N 1.385 121.389 119.950 0.091 0.000 2.682 351 F HA 0.359 4.886 4.527 0.000 0.000 0.308 351 F C 1.710 177.513 175.800 0.005 0.000 1.093 351 F CA 0.056 58.103 58.000 0.079 0.000 1.244 351 F CB 0.490 39.536 39.000 0.078 0.000 1.052 351 F HN 0.591 nan 8.300 nan 0.000 0.573 352 G N 1.316 110.110 108.800 -0.010 0.000 1.801 352 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.203 352 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.203 352 G C 0.964 175.204 174.900 -1.100 0.000 2.274 352 G CA 0.141 44.891 45.100 -0.583 0.000 1.481 352 G HN 0.327 nan 8.290 nan 0.000 0.471 353 E N 1.059 120.650 120.200 -1.016 0.000 2.447 353 E HA 0.333 4.683 4.350 -0.000 0.000 0.204 353 E C 0.268 176.539 176.600 -0.549 0.000 0.977 353 E CA 0.743 56.612 56.400 -0.886 0.000 0.950 353 E CB 0.331 29.784 29.700 -0.412 0.000 0.975 353 E HN 0.570 nan 8.360 nan 0.000 0.496 354 D N 0.663 120.897 120.400 -0.277 0.000 2.585 354 D HA 0.670 5.310 4.640 -0.000 0.000 0.254 354 D C -0.860 175.367 176.300 -0.121 0.000 1.067 354 D CA -1.125 52.817 54.000 -0.097 0.000 1.090 354 D CB 1.434 42.253 40.800 0.032 0.000 1.408 354 D HN 0.111 nan 8.370 nan 0.000 0.554 355 A N -1.002 121.670 122.820 -0.246 0.000 2.604 355 A HA 0.721 5.041 4.320 -0.000 0.000 0.295 355 A C -0.364 176.866 177.584 -0.591 0.000 1.067 355 A CA -0.525 51.122 52.037 -0.650 0.000 0.683 355 A CB 1.458 20.190 19.000 -0.447 0.000 1.281 355 A HN 0.796 nan 8.150 nan 0.000 0.407 356 G N -0.142 108.167 108.800 -0.817 0.000 2.325 356 G HA2 0.529 4.489 3.960 -0.000 0.000 0.298 356 G HA3 0.529 4.489 3.960 -0.000 0.000 0.298 356 G C -0.866 173.765 174.900 -0.448 0.000 1.134 356 G CA -0.224 44.644 45.100 -0.388 0.000 0.876 356 G HN 0.915 nan 8.290 nan 0.000 0.452 357 F N 3.378 122.930 119.950 -0.664 0.000 2.411 357 F HA 0.718 5.245 4.527 -0.000 0.000 0.352 357 F C -1.279 174.198 175.800 -0.538 0.000 1.123 357 F CA -1.458 56.261 58.000 -0.469 0.000 1.044 357 F CB 0.984 39.781 39.000 -0.339 0.000 1.135 357 F HN 0.294 nan 8.300 nan 0.000 0.461 358 F N 7.169 126.783 119.950 -0.560 0.000 2.507 358 F HA 0.445 4.972 4.527 -0.000 0.000 0.325 358 F C -1.016 174.469 175.800 -0.524 0.000 1.116 358 F CA -1.001 56.778 58.000 -0.369 0.000 0.930 358 F CB 1.710 40.563 39.000 -0.246 0.000 1.146 358 F HN 0.385 nan 8.300 nan 0.000 0.447 359 F N 2.681 122.491 119.950 -0.233 0.000 2.518 359 F HA 0.825 5.352 4.527 -0.000 0.000 0.323 359 F C -1.074 174.721 175.800 -0.008 0.000 1.129 359 F CA -0.660 57.246 58.000 -0.156 0.000 0.920 359 F CB 1.132 40.106 39.000 -0.043 0.000 1.160 359 F HN 0.559 nan 8.300 nan 0.000 0.440 360 A N 4.552 126.950 122.820 -0.703 0.000 2.343 360 A HA 0.546 4.866 4.320 -0.000 0.000 0.308 360 A C -1.888 175.233 177.584 -0.772 0.000 1.092 360 A CA -0.523 51.163 52.037 -0.584 0.000 0.751 360 A CB 1.285 20.129 19.000 -0.260 0.000 1.203 360 A HN 0.714 nan 8.150 nan 0.000 0.452 361 D N 3.362 123.406 120.400 -0.594 0.000 2.402 361 D HA 0.571 5.211 4.640 -0.000 0.000 0.252 361 D C -2.797 173.424 176.300 -0.131 0.000 1.294 361 D CA -1.283 52.500 54.000 -0.363 0.000 0.948 361 D CB 2.259 42.880 40.800 -0.298 0.000 1.202 361 D HN 0.237 nan 8.370 nan 0.000 0.561 362 P HA 0.107 nan 4.420 nan 0.000 0.279 362 P C 0.942 178.175 177.300 -0.112 0.000 1.282 362 P CA -0.645 62.404 63.100 -0.085 0.000 0.788 362 P CB 0.920 32.609 31.700 -0.017 0.000 1.139 363 V N -0.577 119.284 119.914 -0.089 0.000 2.427 363 V HA -0.125 3.995 4.120 -0.000 0.000 0.248 363 V C 1.273 177.338 176.094 -0.047 0.000 1.051 363 V CA 1.479 63.731 62.300 -0.081 0.000 1.048 363 V CB -0.790 31.000 31.823 -0.054 0.000 0.666 363 V HN 0.374 nan 8.190 nan 0.000 0.456 364 I N 2.108 122.667 120.570 -0.018 0.000 2.337 364 I HA 0.224 4.394 4.170 -0.000 0.000 0.291 364 I C -2.178 173.933 176.117 -0.010 0.000 1.046 364 I CA -1.816 59.481 61.300 -0.004 0.000 1.324 364 I CB 0.936 38.949 38.000 0.022 0.000 1.409 364 I HN 0.124 nan 8.210 nan 0.000 0.494 365 P HA 0.131 nan 4.420 nan 0.000 0.271 365 P C -2.373 174.927 177.300 -0.000 0.000 1.233 365 P CA -0.905 62.187 63.100 -0.012 0.000 0.789 365 P CB -0.377 31.314 31.700 -0.014 0.000 0.951 366 P HA 0.220 nan 4.420 nan 0.000 0.275 366 P C -0.517 176.780 177.300 -0.005 0.000 1.228 366 P CA -0.027 63.073 63.100 -0.001 0.000 0.786 366 P CB 0.906 32.609 31.700 0.004 0.000 0.927 367 R N 1.232 121.726 120.500 -0.010 0.000 2.540 367 R HA 0.197 4.537 4.340 -0.000 0.000 0.287 367 R C 0.911 177.211 176.300 -0.001 0.000 0.980 367 R CA -0.577 55.511 56.100 -0.019 0.000 0.966 367 R CB 1.135 31.412 30.300 -0.038 0.000 1.106 367 R HN 0.445 nan 8.270 nan 0.000 0.480 368 E N 1.463 121.666 120.200 0.005 0.000 2.112 368 E HA -0.047 4.303 4.350 -0.000 0.000 0.190 368 E C -0.079 176.548 176.600 0.045 0.000 0.979 368 E CA 1.194 57.613 56.400 0.031 0.000 0.814 368 E CB 0.421 30.151 29.700 0.050 0.000 0.762 368 E HN 0.373 nan 8.360 nan 0.000 0.460 369 R N -0.766 119.755 120.500 0.035 0.000 2.561 369 R HA 0.396 4.736 4.340 -0.000 0.000 0.266 369 R C -1.786 174.534 176.300 0.034 0.000 1.091 369 R CA -0.525 55.625 56.100 0.082 0.000 0.927 369 R CB 1.480 31.892 30.300 0.187 0.000 1.240 369 R HN -0.001 nan 8.270 nan 0.000 0.449 370 V N 1.089 121.058 119.914 0.091 0.000 2.962 370 V HA 0.745 4.865 4.120 -0.000 0.000 0.313 370 V C -0.632 175.602 176.094 0.233 0.000 1.099 370 V CA -0.865 61.498 62.300 0.105 0.000 0.971 370 V CB 2.198 34.061 31.823 0.066 0.000 1.028 370 V HN 0.725 nan 8.190 nan 0.000 0.430 371 I N 2.626 123.382 120.570 0.311 0.000 2.499 371 I HA 0.618 4.788 4.170 -0.000 0.000 0.288 371 I C -0.453 175.825 176.117 0.269 0.000 1.048 371 I CA -0.374 61.123 61.300 0.328 0.000 1.062 371 I CB 2.495 40.784 38.000 0.482 0.000 1.238 371 I HN 0.947 nan 8.210 nan 0.000 0.426 372 T N 2.513 117.181 114.554 0.190 0.000 2.892 372 T HA 0.599 4.949 4.350 -0.000 0.000 0.311 372 T C -0.658 174.072 174.700 0.051 0.000 1.033 372 T CA -0.829 61.308 62.100 0.062 0.000 0.991 372 T CB 1.052 69.987 68.868 0.113 0.000 0.981 372 T HN 0.513 nan 8.240 nan 0.000 0.457 373 K N 2.791 123.215 120.400 0.041 0.000 2.444 373 K HA 0.760 5.080 4.320 -0.000 0.000 0.252 373 K C -1.240 175.364 176.600 0.007 0.000 0.993 373 K CA -1.093 55.273 56.287 0.132 0.000 0.847 373 K CB 3.001 35.713 32.500 0.355 0.000 1.340 373 K HN 0.592 nan 8.250 nan 0.000 0.446 374 M N 0.444 120.086 119.600 0.069 0.000 2.421 374 M HA 0.552 5.032 4.480 -0.000 0.000 0.287 374 M C -1.449 174.863 176.300 0.019 0.000 1.183 374 M CA -0.185 55.098 55.300 -0.029 0.000 0.916 374 M CB 2.469 35.101 32.600 0.053 0.000 1.701 374 M HN 0.858 nan 8.290 nan 0.000 0.470 375 G N 2.141 110.836 108.800 -0.174 0.000 2.316 375 G HA2 0.154 4.114 3.960 -0.000 0.000 0.296 375 G HA3 0.154 4.114 3.960 -0.000 0.000 0.296 375 G C -0.830 173.954 174.900 -0.193 0.000 1.399 375 G CA -0.687 44.372 45.100 -0.069 0.000 0.833 375 G HN 0.761 nan 8.290 nan 0.000 0.565 376 K N -0.373 120.061 120.400 0.057 0.000 2.097 376 K HA -0.044 4.276 4.320 -0.000 0.000 0.206 376 K C 2.266 179.024 176.600 0.263 0.000 1.049 376 K CA 2.157 58.538 56.287 0.157 0.000 0.933 376 K CB -0.126 32.552 32.500 0.297 0.000 0.717 376 K HN 0.680 nan 8.250 nan 0.000 0.442 377 W N 0.713 122.151 121.300 0.231 0.000 2.331 377 W HA -0.155 4.505 4.660 0.000 0.000 0.291 377 W C 1.563 178.206 176.519 0.207 0.000 1.214 377 W CA 1.026 58.498 57.345 0.213 0.000 1.228 377 W CB -0.830 28.659 29.460 0.047 0.000 1.135 377 W HN -0.013 nan 8.180 nan 0.000 0.537 378 A N 0.924 123.227 122.820 -0.861 0.000 1.968 378 A HA -0.242 4.078 4.320 -0.000 0.000 0.217 378 A C 2.189 179.650 177.584 -0.206 0.000 1.169 378 A CA 1.633 53.176 52.037 -0.824 0.000 0.638 378 A CB -1.503 16.762 19.000 -1.226 0.000 0.812 378 A HN 0.601 nan 8.150 nan 0.000 0.446 379 H N -1.785 117.138 119.070 -0.245 0.000 2.357 379 H HA -0.165 4.391 4.556 0.000 0.000 0.301 379 H C 1.738 176.977 175.328 -0.148 0.000 1.082 379 H CA 2.043 57.958 56.048 -0.221 0.000 1.342 379 H CB -0.154 29.391 29.762 -0.362 0.000 1.389 379 H HN 0.556 nan 8.280 nan 0.000 0.511 380 Y N -0.534 119.679 120.300 -0.145 0.000 2.263 380 Y HA -0.136 4.414 4.550 0.000 0.000 0.292 380 Y C 2.599 178.478 175.900 -0.034 0.000 1.130 380 Y CA 1.065 59.080 58.100 -0.142 0.000 1.179 380 Y CB -0.691 37.788 38.460 0.031 0.000 0.998 380 Y HN 0.151 nan 8.280 nan 0.000 0.532 381 F N 1.028 121.044 119.950 0.110 0.000 2.134 381 F HA -0.228 4.299 4.527 -0.000 0.000 0.299 381 F C 2.404 178.268 175.800 0.106 0.000 1.097 381 F CA 1.758 59.828 58.000 0.117 0.000 1.264 381 F CB -0.142 38.952 39.000 0.157 0.000 1.001 381 F HN -0.104 nan 8.300 nan 0.000 0.479 382 K N -0.096 120.431 120.400 0.211 0.000 2.009 382 K HA -0.173 4.147 4.320 -0.000 0.000 0.210 382 K C 1.929 178.584 176.600 0.091 0.000 1.049 382 K CA 2.428 58.817 56.287 0.170 0.000 0.929 382 K CB -0.839 31.719 32.500 0.097 0.000 0.714 382 K HN 0.205 nan 8.250 nan 0.000 0.440 383 T N 0.435 114.937 114.554 -0.086 0.000 2.720 383 T HA -0.146 4.204 4.350 -0.000 0.000 0.268 383 T C 1.863 176.530 174.700 -0.055 0.000 1.037 383 T CA 1.413 63.452 62.100 -0.102 0.000 1.144 383 T CB -0.556 68.190 68.868 -0.203 0.000 0.864 383 T HN 0.417 nan 8.240 nan 0.000 0.444 384 A N 1.099 123.877 122.820 -0.069 0.000 1.902 384 A HA -0.042 4.278 4.320 -0.000 0.000 0.217 384 A C 2.026 179.563 177.584 -0.080 0.000 1.181 384 A CA 1.417 53.386 52.037 -0.114 0.000 0.623 384 A CB -1.006 17.867 19.000 -0.212 0.000 0.818 384 A HN 0.487 nan 8.150 nan 0.000 0.443 385 F N 0.832 120.666 119.950 -0.194 0.000 2.216 385 F HA -0.124 4.403 4.527 -0.000 0.000 0.300 385 F C 2.135 177.979 175.800 0.072 0.000 1.085 385 F CA 1.924 59.923 58.000 -0.002 0.000 1.326 385 F CB -0.195 38.850 39.000 0.074 0.000 1.027 385 F HN 0.468 nan 8.300 nan 0.000 0.497 386 E N 0.245 120.415 120.200 -0.050 0.000 2.058 386 E HA -0.236 4.114 4.350 -0.000 0.000 0.194 386 E C 2.064 178.393 176.600 -0.452 0.000 0.997 386 E CA 1.332 57.495 56.400 -0.394 0.000 0.801 386 E CB 0.016 29.647 29.700 -0.116 0.000 0.746 386 E HN 0.196 nan 8.360 nan 0.000 0.450 387 K N 0.175 120.451 120.400 -0.207 0.000 2.026 387 K HA -0.187 4.133 4.320 -0.000 0.000 0.208 387 K C 2.100 178.651 176.600 -0.080 0.000 1.048 387 K CA 1.279 57.490 56.287 -0.127 0.000 0.929 387 K CB -0.990 31.468 32.500 -0.070 0.000 0.713 387 K HN 0.311 nan 8.250 nan 0.000 0.439 388 Y N 0.781 120.948 120.300 -0.223 0.000 2.097 388 Y HA -0.243 4.307 4.550 -0.000 0.000 0.282 388 Y C 2.238 178.050 175.900 -0.146 0.000 1.152 388 Y CA 1.401 59.400 58.100 -0.169 0.000 1.136 388 Y CB -0.795 37.559 38.460 -0.175 0.000 0.975 388 Y HN 0.020 nan 8.280 nan 0.000 0.498 389 F N -0.415 119.094 119.950 -0.735 0.000 2.134 389 F HA -0.207 4.320 4.527 0.000 0.000 0.299 389 F C 2.026 177.521 175.800 -0.508 0.000 1.097 389 F CA 1.151 58.685 58.000 -0.777 0.000 1.264 389 F CB -0.401 38.094 39.000 -0.841 0.000 1.001 389 F HN 0.088 nan 8.300 nan 0.000 0.479 390 L N -0.847 120.193 121.223 -0.305 0.000 2.083 390 L HA -0.238 4.102 4.340 -0.000 0.000 0.209 390 L C 2.062 178.829 176.870 -0.172 0.000 1.083 390 L CA 1.678 56.404 54.840 -0.190 0.000 0.752 390 L CB -1.914 40.053 42.059 -0.152 0.000 0.899 390 L HN 0.519 nan 8.230 nan 0.000 0.433 391 W N 1.091 122.211 121.300 -0.300 0.000 2.338 391 W HA -0.232 4.428 4.660 -0.000 0.000 0.304 391 W C 2.491 178.825 176.519 -0.308 0.000 1.212 391 W CA 1.739 58.943 57.345 -0.236 0.000 1.264 391 W CB 0.001 29.363 29.460 -0.164 0.000 1.142 391 W HN 0.015 nan 8.180 nan 0.000 0.512 392 K N -0.264 119.902 120.400 -0.390 0.000 2.057 392 K HA -0.171 4.149 4.320 -0.000 0.000 0.207 392 K C 1.792 178.018 176.600 -0.624 0.000 1.049 392 K CA 1.822 57.718 56.287 -0.651 0.000 0.931 392 K CB -0.729 31.308 32.500 -0.771 0.000 0.714 392 K HN 0.128 nan 8.250 nan 0.000 0.440 393 V N 1.290 120.831 119.914 -0.622 0.000 2.343 393 V HA -0.223 3.897 4.120 -0.000 0.000 0.247 393 V C 2.157 178.149 176.094 -0.170 0.000 1.051 393 V CA 1.648 63.679 62.300 -0.448 0.000 1.036 393 V CB -0.443 30.981 31.823 -0.664 0.000 0.654 393 V HN 0.274 nan 8.190 nan 0.000 0.451 394 R N 0.038 120.382 120.500 -0.260 0.000 2.235 394 R HA -0.022 4.318 4.340 -0.000 0.000 0.213 394 R C 1.277 177.460 176.300 -0.195 0.000 1.059 394 R CA 1.170 57.172 56.100 -0.164 0.000 0.997 394 R CB -0.129 30.065 30.300 -0.176 0.000 0.884 394 R HN 0.555 nan 8.270 nan 0.000 0.462 395 N N -1.246 117.122 118.700 -0.553 0.000 2.187 395 N HA 0.121 4.861 4.740 -0.000 0.000 0.212 395 N C 0.244 175.230 175.510 -0.874 0.000 1.152 395 N CA 0.539 53.180 53.050 -0.682 0.000 0.872 395 N CB 1.772 39.488 38.487 -1.285 0.000 1.025 395 N HN 0.213 nan 8.380 nan 0.000 0.514 396 G N 0.757 108.774 108.800 -1.305 0.000 2.143 396 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.248 396 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.248 396 G C -0.257 173.850 174.900 -1.321 0.000 0.991 396 G CA -0.104 43.578 45.100 -2.362 0.000 0.689 396 G HN 0.403 nan 8.290 nan 0.000 0.522 397 N N -0.237 118.040 118.700 -0.705 0.000 2.549 397 N HA 0.429 5.169 4.740 -0.000 0.000 0.290 397 N C 0.905 176.256 175.510 -0.264 0.000 1.122 397 N CA -0.858 51.968 53.050 -0.373 0.000 0.885 397 N CB 0.796 39.104 38.487 -0.298 0.000 1.455 397 N HN -0.102 nan 8.380 nan 0.000 0.521 398 I N 0.762 121.229 120.570 -0.173 0.000 3.603 398 I HA 0.221 4.391 4.170 -0.000 0.000 0.297 398 I C 0.777 176.801 176.117 -0.154 0.000 1.269 398 I CA 0.409 61.548 61.300 -0.268 0.000 1.361 398 I CB -0.659 37.177 38.000 -0.273 0.000 1.063 398 I HN 0.534 nan 8.210 nan 0.000 0.448 399 A N 2.316 125.066 122.820 -0.117 0.000 3.297 399 A HA 0.566 4.886 4.320 -0.000 0.000 0.304 399 A C -2.464 175.058 177.584 -0.103 0.000 0.963 399 A CA -1.006 50.981 52.037 -0.083 0.000 0.935 399 A CB -0.374 18.595 19.000 -0.051 0.000 1.093 399 A HN -0.043 nan 8.150 nan 0.000 0.480 400 P HA 0.065 nan 4.420 nan 0.000 0.268 400 P C 1.384 178.562 177.300 -0.203 0.000 1.205 400 P CA 0.472 63.493 63.100 -0.133 0.000 0.771 400 P CB 1.174 32.786 31.700 -0.147 0.000 0.858 401 S N 3.408 119.082 115.700 -0.043 0.000 2.380 401 S HA -0.282 4.188 4.470 -0.000 0.000 0.229 401 S C 1.765 176.366 174.600 0.002 0.000 1.043 401 S CA 1.829 60.030 58.200 0.001 0.000 1.038 401 S CB -1.715 61.526 63.200 0.067 0.000 0.872 401 S HN 0.559 nan 8.310 nan 0.000 0.456 402 F N 2.073 122.062 119.950 0.064 0.000 2.216 402 F HA 0.110 4.637 4.527 -0.000 0.000 0.300 402 F C 2.276 178.119 175.800 0.072 0.000 1.085 402 F CA 1.074 59.108 58.000 0.056 0.000 1.326 402 F CB -0.786 38.238 39.000 0.041 0.000 1.027 402 F HN 0.334 nan 8.300 nan 0.000 0.497 403 E N 0.869 120.645 120.200 -0.706 0.000 2.031 403 E HA -0.303 4.047 4.350 -0.000 0.000 0.193 403 E C 2.277 178.840 176.600 -0.063 0.000 0.994 403 E CA 1.512 57.694 56.400 -0.363 0.000 0.800 403 E CB -0.361 29.147 29.700 -0.320 0.000 0.752 403 E HN 0.705 nan 8.360 nan 0.000 0.447 404 E N 0.421 120.583 120.200 -0.063 0.000 2.085 404 E HA -0.246 4.104 4.350 -0.000 0.000 0.194 404 E C 1.989 178.592 176.600 0.004 0.000 0.994 404 E CA 1.429 57.821 56.400 -0.013 0.000 0.801 404 E CB 0.095 29.785 29.700 -0.016 0.000 0.743 404 E HN 0.160 nan 8.360 nan 0.000 0.453 405 K N -0.027 120.393 120.400 0.033 0.000 2.026 405 K HA -0.122 4.198 4.320 -0.000 0.000 0.208 405 K C 2.215 178.870 176.600 0.092 0.000 1.048 405 K CA 1.414 57.735 56.287 0.057 0.000 0.929 405 K CB -0.128 32.427 32.500 0.091 0.000 0.713 405 K HN 0.053 nan 8.250 nan 0.000 0.439 406 V N 2.168 122.177 119.914 0.158 0.000 2.287 406 V HA -0.253 3.867 4.120 -0.000 0.000 0.248 406 V C 2.255 178.497 176.094 0.246 0.000 1.053 406 V CA 1.667 64.116 62.300 0.248 0.000 1.027 406 V CB -0.419 31.563 31.823 0.264 0.000 0.646 406 V HN 0.299 nan 8.190 nan 0.000 0.447 407 L N -0.426 120.876 121.223 0.132 0.000 2.141 407 L HA -0.173 4.167 4.340 -0.000 0.000 0.209 407 L C 2.567 179.459 176.870 0.035 0.000 1.094 407 L CA 1.666 56.557 54.840 0.085 0.000 0.763 407 L CB -0.522 41.573 42.059 0.061 0.000 0.908 407 L HN 0.455 nan 8.230 nan 0.000 0.437 408 E N 0.855 121.047 120.200 -0.013 0.000 2.046 408 E HA -0.196 4.154 4.350 -0.000 0.000 0.190 408 E C 2.350 178.924 176.600 -0.044 0.000 0.982 408 E CA 0.968 57.308 56.400 -0.099 0.000 0.800 408 E CB 0.060 29.656 29.700 -0.173 0.000 0.756 408 E HN 0.443 nan 8.360 nan 0.000 0.449 409 I N 0.059 120.625 120.570 -0.007 0.000 2.163 409 I HA -0.274 3.896 4.170 -0.000 0.000 0.243 409 I C 1.981 177.991 176.117 -0.179 0.000 1.085 409 I CA 1.265 62.510 61.300 -0.091 0.000 1.347 409 I CB -0.195 37.744 38.000 -0.102 0.000 1.044 409 I HN 0.122 nan 8.210 nan 0.000 0.408 410 F N -0.408 119.498 119.950 -0.072 0.000 2.317 410 F HA 0.069 4.596 4.527 0.000 0.000 0.293 410 F C 1.807 177.520 175.800 -0.145 0.000 1.085 410 F CA 0.963 58.899 58.000 -0.106 0.000 1.390 410 F CB 0.179 39.112 39.000 -0.111 0.000 1.077 410 F HN -0.121 nan 8.300 nan 0.000 0.517 411 L N -0.881 120.348 121.223 0.011 0.000 3.135 411 L HA 0.197 4.537 4.340 -0.000 0.000 0.279 411 L C 0.156 177.013 176.870 -0.021 0.000 1.200 411 L CA -0.012 54.742 54.840 -0.144 0.000 1.016 411 L CB 0.114 41.892 42.059 -0.470 0.000 1.391 411 L HN -0.043 nan 8.230 nan 0.000 0.588 412 K N -0.045 120.358 120.400 0.006 0.000 3.069 412 K HA -0.153 4.167 4.320 -0.000 0.000 0.267 412 K C -0.090 176.554 176.600 0.073 0.000 1.082 412 K CA 0.152 56.467 56.287 0.046 0.000 0.782 412 K CB -1.966 30.602 32.500 0.113 0.000 1.230 412 K HN 0.077 nan 8.250 nan 0.000 0.488 413 V N 2.138 122.057 119.914 0.007 0.000 2.530 413 V HA 0.088 4.208 4.120 -0.000 0.000 0.282 413 V C 0.655 176.663 176.094 -0.143 0.000 1.048 413 V CA -0.133 62.207 62.300 0.066 0.000 0.997 413 V CB 0.853 32.748 31.823 0.120 0.000 0.987 413 V HN 0.201 nan 8.190 nan 0.000 0.477 414 H N 7.054 126.185 119.070 0.101 0.000 2.762 414 H HA 0.256 4.812 4.556 -0.000 0.000 0.310 414 H C -1.716 173.654 175.328 0.071 0.000 1.004 414 H CA -1.583 54.509 56.048 0.074 0.000 1.267 414 H CB 2.081 31.883 29.762 0.066 0.000 1.437 414 H HN 0.471 nan 8.280 nan 0.000 0.498 415 P HA -0.079 nan 4.420 nan 0.000 0.218 415 P C 0.597 177.948 177.300 0.086 0.000 1.149 415 P CA 1.107 64.262 63.100 0.091 0.000 0.817 415 P CB 0.870 32.602 31.700 0.053 0.000 0.785 416 I N -4.036 116.589 120.570 0.091 0.000 2.730 416 I HA 0.572 4.742 4.170 -0.000 0.000 0.298 416 I C -1.100 175.121 176.117 0.174 0.000 1.089 416 I CA -1.364 60.001 61.300 0.109 0.000 1.041 416 I CB 2.932 40.947 38.000 0.025 0.000 1.235 416 I HN -0.317 nan 8.210 nan 0.000 0.423 417 E N 3.830 124.156 120.200 0.210 0.000 2.222 417 E HA 0.433 4.783 4.350 -0.000 0.000 0.267 417 E C -1.293 175.400 176.600 0.155 0.000 0.884 417 E CA -1.099 55.401 56.400 0.167 0.000 0.764 417 E CB 3.060 32.817 29.700 0.094 0.000 1.169 417 E HN 0.517 nan 8.360 nan 0.000 0.413 418 L N 2.439 123.681 121.223 0.033 0.000 2.584 418 L HA 0.011 4.351 4.340 -0.000 0.000 0.272 418 L C -0.780 176.012 176.870 -0.130 0.000 1.195 418 L CA 0.310 55.008 54.840 -0.238 0.000 0.920 418 L CB 0.194 42.136 42.059 -0.194 0.000 1.173 418 L HN 0.642 nan 8.230 nan 0.000 0.489 419 c N 6.516 125.023 118.600 -0.154 0.000 2.271 419 c HA 0.324 4.894 4.570 -0.000 0.000 0.323 419 c C 1.467 175.520 174.090 -0.062 0.000 1.245 419 c CA -0.831 55.464 56.329 -0.056 0.000 1.548 419 c CB -0.139 42.374 42.510 0.005 0.000 2.214 419 c HN 1.048 nan 8.230 nan 0.000 0.477 420 K N 2.183 122.557 120.400 -0.043 0.000 2.283 420 K HA 0.010 4.330 4.320 -0.000 0.000 0.202 420 K C -0.146 176.442 176.600 -0.019 0.000 1.048 420 K CA 1.069 57.335 56.287 -0.035 0.000 0.948 420 K CB 0.209 32.693 32.500 -0.026 0.000 0.742 420 K HN 0.614 nan 8.250 nan 0.000 0.458 421 D N -0.474 119.920 120.400 -0.010 0.000 2.470 421 D HA 0.178 4.818 4.640 -0.000 0.000 0.233 421 D C -0.061 176.243 176.300 0.006 0.000 1.372 421 D CA -0.787 53.211 54.000 -0.002 0.000 0.994 421 D CB 0.992 41.790 40.800 -0.003 0.000 1.377 421 D HN 0.081 nan 8.370 nan 0.000 0.586 422 c N 2.357 120.965 118.600 0.013 0.000 2.448 422 c HA 0.036 4.606 4.570 -0.000 0.000 0.280 422 c C 0.937 175.029 174.090 0.003 0.000 1.398 422 c CA -0.002 56.341 56.329 0.023 0.000 1.774 422 c CB -0.892 41.642 42.510 0.040 0.000 1.888 422 c HN 0.537 nan 8.230 nan 0.000 0.519 423 E N 0.810 121.006 120.200 -0.006 0.000 2.498 423 E HA 0.386 4.736 4.350 -0.000 0.000 0.252 423 E C 0.551 177.141 176.600 -0.017 0.000 1.025 423 E CA 0.687 57.077 56.400 -0.017 0.000 0.938 423 E CB -0.006 29.685 29.700 -0.016 0.000 0.947 423 E HN 0.665 nan 8.360 nan 0.000 0.478 424 G N 1.434 110.217 108.800 -0.028 0.000 2.353 424 G HA2 0.286 4.246 3.960 -0.000 0.000 0.308 424 G HA3 0.286 4.246 3.960 -0.000 0.000 0.308 424 G C -1.070 173.801 174.900 -0.049 0.000 1.418 424 G CA -0.604 44.479 45.100 -0.028 0.000 0.966 424 G HN 0.607 nan 8.290 nan 0.000 0.638 425 A N 1.247 124.039 122.820 -0.047 0.000 2.445 425 A HA 0.720 5.040 4.320 -0.000 0.000 0.242 425 A C -1.584 175.944 177.584 -0.094 0.000 1.075 425 A CA -0.598 51.397 52.037 -0.070 0.000 0.777 425 A CB -0.155 18.818 19.000 -0.044 0.000 1.013 425 A HN 0.631 nan 8.150 nan 0.000 0.493 426 P HA 0.204 nan 4.420 nan 0.000 0.268 426 P C 0.928 178.207 177.300 -0.035 0.000 1.205 426 P CA 1.458 64.409 63.100 -0.248 0.000 0.771 426 P CB 0.872 32.174 31.700 -0.664 0.000 0.858 427 G N 1.835 110.685 108.800 0.083 0.000 2.253 427 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.251 427 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.251 427 G C 0.339 175.275 174.900 0.060 0.000 0.998 427 G CA 0.356 45.517 45.100 0.102 0.000 0.621 427 G HN 0.894 nan 8.290 nan 0.000 0.524 428 S N 1.402 117.122 115.700 0.034 0.000 2.580 428 S HA 0.647 5.117 4.470 -0.000 0.000 0.274 428 S C 0.530 175.150 174.600 0.034 0.000 1.329 428 S CA -0.490 57.725 58.200 0.025 0.000 1.036 428 S CB 1.178 64.383 63.200 0.008 0.000 0.919 428 S HN 0.531 nan 8.310 nan 0.000 0.515 429 R N 1.637 122.154 120.500 0.029 0.000 2.347 429 R HA 0.351 4.691 4.340 -0.000 0.000 0.304 429 R C 0.468 176.783 176.300 0.024 0.000 1.072 429 R CA -0.483 55.635 56.100 0.031 0.000 0.980 429 R CB -0.987 29.328 30.300 0.025 0.000 0.986 429 R HN 0.879 nan 8.270 nan 0.000 0.448 430 c N 0.000 118.616 118.600 0.027 0.000 2.653 430 c HA 0.000 4.570 4.570 -0.000 0.000 0.325 430 c CA 0.000 56.340 56.329 0.018 0.000 1.963 430 c CB 0.000 42.522 42.510 0.020 0.000 2.134 430 c HN 0.000 nan 8.230 nan 0.000 0.568