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 3hyx_1_E 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 RLSAICIADF 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 0.000 177.643 177.584 0.098 0.000 1.274 2 A CA 0.000 52.074 52.037 0.061 0.000 0.836 2 A CB 0.000 19.024 19.000 0.040 0.000 0.831 3 K N 1.596 122.079 120.400 0.138 0.000 2.118 3 K HA 0.347 4.667 4.320 -0.000 0.000 0.264 3 K C -0.512 176.252 176.600 0.272 0.000 1.000 3 K CA -0.284 56.133 56.287 0.216 0.000 0.929 3 K CB 1.040 33.713 32.500 0.290 0.000 1.021 3 K HN 0.861 nan 8.250 nan 0.000 0.463 4 H N 1.108 120.288 119.070 0.182 0.000 2.708 4 H HA 0.291 4.847 4.556 -0.000 0.000 0.320 4 H C -1.148 174.322 175.328 0.238 0.000 0.991 4 H CA -0.760 55.388 56.048 0.167 0.000 1.243 4 H CB 0.969 30.808 29.762 0.129 0.000 1.446 4 H HN 0.104 nan 8.280 nan 0.000 0.502 5 V N 6.399 126.424 119.914 0.185 0.000 2.439 5 V HA 0.165 4.285 4.120 -0.000 0.000 0.282 5 V C -0.021 176.029 176.094 -0.074 0.000 1.039 5 V CA -0.649 61.703 62.300 0.087 0.000 0.913 5 V CB 1.470 33.340 31.823 0.079 0.000 0.983 5 V HN 0.476 nan 8.190 nan 0.000 0.460 6 V N 5.795 125.635 119.914 -0.123 0.000 2.417 6 V HA 0.428 4.548 4.120 -0.000 0.000 0.291 6 V C -0.175 175.867 176.094 -0.088 0.000 1.024 6 V CA -0.515 61.702 62.300 -0.139 0.000 0.861 6 V CB 1.965 33.680 31.823 -0.179 0.000 0.985 6 V HN 0.609 nan 8.190 nan 0.000 0.436 7 V N 6.744 126.642 119.914 -0.028 0.000 2.370 7 V HA 0.477 4.597 4.120 -0.000 0.000 0.283 7 V C -0.069 176.023 176.094 -0.003 0.000 1.023 7 V CA -0.404 61.889 62.300 -0.010 0.000 0.857 7 V CB 1.699 33.535 31.823 0.022 0.000 0.985 7 V HN 0.669 nan 8.190 nan 0.000 0.443 8 I N 4.612 125.170 120.570 -0.019 0.000 2.304 8 I HA 0.722 4.892 4.170 -0.000 0.000 0.291 8 I C 0.676 176.799 176.117 0.010 0.000 1.018 8 I CA -0.012 61.283 61.300 -0.009 0.000 1.260 8 I CB 1.273 39.256 38.000 -0.028 0.000 1.390 8 I HN 0.837 nan 8.210 nan 0.000 0.475 9 G N 3.552 112.371 108.800 0.032 0.000 3.305 9 G HA2 0.043 4.003 3.960 -0.000 0.000 0.649 9 G HA3 0.043 4.003 3.960 -0.000 0.000 0.649 9 G C 0.075 175.022 174.900 0.078 0.000 1.255 9 G CA -0.514 44.611 45.100 0.042 0.000 1.137 9 G HN 0.927 nan 8.290 nan 0.000 0.535 10 G N 0.365 109.231 108.800 0.109 0.000 3.314 10 G HA2 0.583 4.543 3.960 -0.000 0.000 0.238 10 G HA3 0.583 4.543 3.960 -0.000 0.000 0.238 10 G C 0.955 175.976 174.900 0.202 0.000 1.184 10 G CA 1.026 46.216 45.100 0.151 0.000 0.806 10 G HN 1.199 nan 8.290 nan 0.000 0.536 11 G N -0.503 108.400 108.800 0.172 0.000 2.606 11 G HA2 0.323 4.283 3.960 -0.000 0.000 0.262 11 G HA3 0.323 4.283 3.960 -0.000 0.000 0.262 11 G C 1.177 176.271 174.900 0.323 0.000 1.394 11 G CA 0.202 45.467 45.100 0.275 0.000 1.044 11 G HN -0.007 nan 8.290 nan 0.000 0.553 12 V N 0.966 121.090 119.914 0.350 0.000 2.332 12 V HA -0.110 4.010 4.120 -0.000 0.000 0.248 12 V C 3.063 179.224 176.094 0.112 0.000 1.055 12 V CA 2.542 65.022 62.300 0.300 0.000 1.038 12 V CB -1.178 30.773 31.823 0.213 0.000 0.651 12 V HN 0.782 nan 8.190 nan 0.000 0.450 13 G N -0.041 108.798 108.800 0.065 0.000 2.433 13 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.216 13 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.216 13 G C 1.632 176.529 174.900 -0.005 0.000 1.186 13 G CA 0.937 46.047 45.100 0.018 0.000 0.779 13 G HN 0.577 nan 8.290 nan 0.000 0.543 14 G N 1.207 110.011 108.800 0.007 0.000 2.453 14 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.215 14 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.215 14 G C 1.704 176.562 174.900 -0.070 0.000 1.201 14 G CA 1.016 46.112 45.100 -0.007 0.000 0.784 14 G HN 0.284 nan 8.290 nan 0.000 0.545 15 I N 2.049 122.533 120.570 -0.143 0.000 2.151 15 I HA -0.206 3.964 4.170 -0.000 0.000 0.243 15 I C 3.248 179.062 176.117 -0.505 0.000 1.080 15 I CA 1.497 62.540 61.300 -0.429 0.000 1.339 15 I CB -1.404 36.225 38.000 -0.619 0.000 1.039 15 I HN 0.274 nan 8.210 nan 0.000 0.409 16 A N 0.148 122.788 122.820 -0.301 0.000 2.015 16 A HA -0.133 4.187 4.320 -0.000 0.000 0.219 16 A C 2.378 179.897 177.584 -0.108 0.000 1.163 16 A CA 2.000 53.914 52.037 -0.206 0.000 0.646 16 A CB -0.846 18.105 19.000 -0.082 0.000 0.806 16 A HN 0.462 nan 8.150 nan 0.000 0.448 17 T N 0.131 114.633 114.554 -0.086 0.000 2.809 17 T HA 0.096 4.446 4.350 -0.000 0.000 0.260 17 T C 2.294 176.972 174.700 -0.037 0.000 1.039 17 T CA 1.272 63.336 62.100 -0.060 0.000 1.141 17 T CB -0.434 68.404 68.868 -0.051 0.000 0.869 17 T HN 0.545 nan 8.240 nan 0.000 0.437 18 A N 0.875 123.688 122.820 -0.011 0.000 1.877 18 A HA -0.096 4.224 4.320 -0.000 0.000 0.216 18 A C 2.127 179.806 177.584 0.158 0.000 1.186 18 A CA 1.391 53.471 52.037 0.071 0.000 0.620 18 A CB -1.023 18.044 19.000 0.111 0.000 0.822 18 A HN 0.451 nan 8.150 nan 0.000 0.443 19 Y N 0.380 120.605 120.300 -0.126 0.000 2.114 19 Y HA -0.163 4.387 4.550 -0.000 0.000 0.284 19 Y C 2.569 178.364 175.900 -0.175 0.000 1.143 19 Y CA 0.721 58.703 58.100 -0.197 0.000 1.135 19 Y CB -1.043 37.243 38.460 -0.289 0.000 0.980 19 Y HN 0.339 nan 8.280 nan 0.000 0.499 20 N N 0.458 119.177 118.700 0.032 0.000 2.060 20 N HA -0.218 4.522 4.740 -0.000 0.000 0.195 20 N C 1.934 177.396 175.510 -0.081 0.000 1.028 20 N CA 1.636 54.662 53.050 -0.041 0.000 0.861 20 N CB -0.503 37.958 38.487 -0.044 0.000 1.029 20 N HN 0.313 nan 8.380 nan 0.000 0.428 21 L N 0.590 121.769 121.223 -0.072 0.000 2.046 21 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 21 L C 2.596 179.419 176.870 -0.079 0.000 1.077 21 L CA 0.885 55.666 54.840 -0.098 0.000 0.747 21 L CB -0.312 41.698 42.059 -0.083 0.000 0.896 21 L HN 0.092 nan 8.230 nan 0.000 0.432 22 R N 0.957 121.426 120.500 -0.051 0.000 2.091 22 R HA -0.189 4.151 4.340 -0.000 0.000 0.238 22 R C 1.733 177.981 176.300 -0.087 0.000 1.136 22 R CA 2.068 58.133 56.100 -0.059 0.000 0.959 22 R CB -0.783 29.473 30.300 -0.072 0.000 0.856 22 R HN 0.415 nan 8.270 nan 0.000 0.437 23 N N -0.925 117.710 118.700 -0.109 0.000 2.396 23 N HA -0.047 4.693 4.740 -0.000 0.000 0.180 23 N C 0.700 176.152 175.510 -0.097 0.000 1.028 23 N CA 0.624 53.610 53.050 -0.107 0.000 0.893 23 N CB 0.070 38.489 38.487 -0.115 0.000 0.967 23 N HN 0.089 nan 8.380 nan 0.000 0.440 24 L N -0.487 120.665 121.223 -0.119 0.000 2.477 24 L HA 0.274 4.614 4.340 -0.000 0.000 0.220 24 L C 0.174 176.978 176.870 -0.110 0.000 1.106 24 L CA 0.873 55.626 54.840 -0.145 0.000 0.851 24 L CB 0.204 42.115 42.059 -0.248 0.000 0.994 24 L HN 0.138 nan 8.230 nan 0.000 0.462 25 M N -1.026 118.522 119.600 -0.087 0.000 2.291 25 M HA 0.239 4.719 4.480 -0.000 0.000 0.202 25 M C -2.032 174.245 176.300 -0.039 0.000 0.985 25 M CA -1.065 54.199 55.300 -0.060 0.000 0.993 25 M CB 1.603 34.164 32.600 -0.065 0.000 2.723 25 M HN -0.217 nan 8.290 nan 0.000 0.402 26 P HA -0.152 nan 4.420 nan 0.000 0.219 26 P C 0.485 177.781 177.300 -0.007 0.000 1.146 26 P CA 1.341 64.428 63.100 -0.021 0.000 0.808 26 P CB 0.004 31.692 31.700 -0.020 0.000 0.779 27 D N -1.892 118.505 120.400 -0.004 0.000 2.339 27 D HA -0.022 4.618 4.640 -0.000 0.000 0.217 27 D C 0.738 177.049 176.300 0.018 0.000 1.050 27 D CA -0.017 53.986 54.000 0.006 0.000 0.856 27 D CB -0.576 40.227 40.800 0.006 0.000 0.922 27 D HN 0.172 nan 8.370 nan 0.000 0.518 28 L N 1.089 122.323 121.223 0.017 0.000 2.416 28 L HA 0.127 4.467 4.340 -0.000 0.000 0.272 28 L C 0.413 177.319 176.870 0.061 0.000 1.161 28 L CA -0.140 54.723 54.840 0.038 0.000 0.845 28 L CB 0.916 42.984 42.059 0.014 0.000 1.119 28 L HN -0.119 nan 8.230 nan 0.000 0.464 29 K N 5.096 125.555 120.400 0.099 0.000 2.234 29 K HA 0.493 4.813 4.320 -0.000 0.000 0.282 29 K C -1.030 175.708 176.600 0.230 0.000 1.039 29 K CA -0.375 55.987 56.287 0.124 0.000 0.928 29 K CB 0.765 33.301 32.500 0.061 0.000 1.039 29 K HN 0.509 nan 8.250 nan 0.000 0.470 30 I N 2.819 123.510 120.570 0.202 0.000 2.499 30 I HA 0.198 4.368 4.170 -0.000 0.000 0.288 30 I C -0.830 175.419 176.117 0.219 0.000 1.048 30 I CA -0.682 60.737 61.300 0.199 0.000 1.062 30 I CB 2.434 40.511 38.000 0.128 0.000 1.238 30 I HN 0.504 nan 8.210 nan 0.000 0.426 31 T N 6.748 121.436 114.554 0.224 0.000 2.812 31 T HA 0.509 4.859 4.350 -0.000 0.000 0.282 31 T C -0.648 174.129 174.700 0.129 0.000 0.990 31 T CA -0.404 61.819 62.100 0.205 0.000 0.960 31 T CB 1.708 70.757 68.868 0.302 0.000 0.948 31 T HN 0.330 nan 8.240 nan 0.000 0.438 32 L N 4.640 125.958 121.223 0.157 0.000 2.280 32 L HA 0.604 4.944 4.340 -0.000 0.000 0.287 32 L C -0.922 176.003 176.870 0.093 0.000 1.023 32 L CA -0.777 54.159 54.840 0.160 0.000 0.819 32 L CB 0.457 42.677 42.059 0.268 0.000 1.212 32 L HN 0.635 nan 8.230 nan 0.000 0.420 33 I N 4.039 124.625 120.570 0.027 0.000 2.315 33 I HA 0.356 4.526 4.170 -0.000 0.000 0.291 33 I C 0.057 176.166 176.117 -0.014 0.000 1.006 33 I CA 0.031 61.298 61.300 -0.053 0.000 1.265 33 I CB 1.546 39.520 38.000 -0.045 0.000 1.387 33 I HN 0.497 nan 8.210 nan 0.000 0.475 34 S N 3.308 118.970 115.700 -0.064 0.000 2.536 34 S HA 0.260 4.730 4.470 -0.000 0.000 0.271 34 S C 0.172 174.761 174.600 -0.018 0.000 1.134 34 S CA -0.745 57.480 58.200 0.042 0.000 0.897 34 S CB 1.404 64.768 63.200 0.274 0.000 1.094 34 S HN 0.741 nan 8.310 nan 0.000 0.473 35 D N 3.027 123.422 120.400 -0.008 0.000 2.183 35 D HA 0.019 4.659 4.640 -0.000 0.000 0.205 35 D C 0.465 176.768 176.300 0.005 0.000 0.962 35 D CA 0.679 54.669 54.000 -0.017 0.000 0.849 35 D CB -0.030 40.756 40.800 -0.023 0.000 0.978 35 D HN 0.347 nan 8.370 nan 0.000 0.488 36 R N 1.010 121.496 120.500 -0.023 0.000 2.357 36 R HA 0.227 4.567 4.340 -0.000 0.000 0.296 36 R C -1.667 174.654 176.300 0.034 0.000 1.052 36 R CA -1.359 54.677 56.100 -0.108 0.000 0.988 36 R CB 1.036 31.088 30.300 -0.412 0.000 1.025 36 R HN 0.129 nan 8.270 nan 0.000 0.469 37 P HA -0.063 nan 4.420 nan 0.000 0.245 37 P C -1.048 176.389 177.300 0.229 0.000 1.212 37 P CA 0.833 64.129 63.100 0.326 0.000 0.774 37 P CB 0.095 31.992 31.700 0.330 0.000 0.999 38 Y N -2.701 117.691 120.300 0.154 0.000 2.553 38 Y HA 0.630 5.180 4.550 -0.000 0.000 0.347 38 Y C -0.981 175.012 175.900 0.154 0.000 1.019 38 Y CA -2.665 55.502 58.100 0.112 0.000 1.032 38 Y CB 0.408 38.950 38.460 0.137 0.000 1.284 38 Y HN -0.264 nan 8.280 nan 0.000 0.466 39 F N 2.629 122.671 119.950 0.154 0.000 2.438 39 F HA 0.737 5.264 4.527 -0.000 0.000 0.356 39 F C 0.312 176.318 175.800 0.343 0.000 1.099 39 F CA -0.392 57.694 58.000 0.144 0.000 1.185 39 F CB 0.799 39.845 39.000 0.077 0.000 1.115 39 F HN 0.848 nan 8.300 nan 0.000 0.526 40 G N 5.791 114.288 108.800 -0.506 0.000 2.343 40 G HA2 0.300 4.260 3.960 -0.000 0.000 0.319 40 G HA3 0.300 4.260 3.960 -0.000 0.000 0.319 40 G C -1.477 172.867 174.900 -0.926 0.000 1.126 40 G CA -0.616 44.342 45.100 -0.235 0.000 0.889 40 G HN 0.713 nan 8.290 nan 0.000 0.457 41 F N 3.946 123.528 119.950 -0.613 0.000 2.619 41 F HA 0.221 4.748 4.527 -0.000 0.000 0.350 41 F C 1.826 177.220 175.800 -0.677 0.000 1.259 41 F CA -0.547 57.179 58.000 -0.457 0.000 1.204 41 F CB -0.109 38.865 39.000 -0.042 0.000 1.556 41 F HN 0.466 nan 8.300 nan 0.000 0.650 42 T N 4.424 118.222 114.554 -1.259 0.000 2.685 42 T HA -0.182 4.168 4.350 -0.000 0.000 0.268 42 T C -0.631 173.357 174.700 -1.187 0.000 1.034 42 T CA 1.717 62.844 62.100 -1.622 0.000 1.149 42 T CB -1.103 67.261 68.868 -0.840 0.000 0.860 42 T HN 0.373 nan 8.240 nan 0.000 0.449 43 P HA 0.044 nan 4.420 nan 0.000 0.220 43 P C 0.843 178.023 177.300 -0.200 0.000 1.144 43 P CA 1.025 63.767 63.100 -0.597 0.000 0.800 43 P CB -0.176 31.096 31.700 -0.714 0.000 0.772 44 A N -2.498 120.201 122.820 -0.203 0.000 2.415 44 A HA 0.152 4.472 4.320 -0.000 0.000 0.248 44 A C 1.104 178.963 177.584 0.459 0.000 1.299 44 A CA -0.146 52.022 52.037 0.218 0.000 0.899 44 A CB -1.118 18.077 19.000 0.326 0.000 0.997 44 A HN -0.029 nan 8.150 nan 0.000 0.506 45 F N 0.659 120.734 119.950 0.207 0.000 2.187 45 F HA 0.074 4.601 4.527 -0.000 0.000 0.295 45 F C -0.506 175.429 175.800 0.225 0.000 1.091 45 F CA 0.459 58.574 58.000 0.190 0.000 1.308 45 F CB -1.907 37.162 39.000 0.116 0.000 1.030 45 F HN 0.175 nan 8.300 nan 0.000 0.487 46 P HA -0.155 nan 4.420 nan 0.000 0.216 46 P C 1.078 178.486 177.300 0.181 0.000 1.150 46 P CA 1.843 65.137 63.100 0.323 0.000 0.843 46 P CB -0.191 31.662 31.700 0.256 0.000 0.787 47 H N -1.551 117.651 119.070 0.220 0.000 2.389 47 H HA -0.050 4.506 4.556 -0.000 0.000 0.299 47 H C 1.824 177.215 175.328 0.106 0.000 1.081 47 H CA 0.802 56.949 56.048 0.166 0.000 1.345 47 H CB -1.201 28.793 29.762 0.385 0.000 1.393 47 H HN 0.015 nan 8.280 nan 0.000 0.520 48 L N 0.745 122.175 121.223 0.345 0.000 2.046 48 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 48 L C 2.349 179.303 176.870 0.141 0.000 1.077 48 L CA 1.795 56.785 54.840 0.251 0.000 0.747 48 L CB -0.921 41.309 42.059 0.286 0.000 0.896 48 L HN 0.267 nan 8.230 nan 0.000 0.432 49 A N -1.048 121.862 122.820 0.149 0.000 1.933 49 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 49 A C 2.137 179.754 177.584 0.056 0.000 1.175 49 A CA 1.927 54.050 52.037 0.143 0.000 0.628 49 A CB -0.527 18.623 19.000 0.249 0.000 0.814 49 A HN 0.477 nan 8.150 nan 0.000 0.444 50 M N -1.517 117.988 119.600 -0.158 0.000 2.476 50 M HA 0.061 4.541 4.480 -0.000 0.000 0.262 50 M C 1.561 177.590 176.300 -0.451 0.000 1.079 50 M CA 1.043 56.010 55.300 -0.555 0.000 1.104 50 M CB -1.243 30.444 32.600 -1.521 0.000 1.409 50 M HN 0.849 nan 8.290 nan 0.000 0.467 51 G N -1.124 107.577 108.800 -0.165 0.000 2.132 51 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.228 51 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.228 51 G C 0.115 175.175 174.900 0.267 0.000 1.000 51 G CA 0.074 45.215 45.100 0.068 0.000 0.693 51 G HN 0.525 nan 8.290 nan 0.000 0.515 52 W N 0.297 121.729 121.300 0.220 0.000 3.316 52 W HA 0.504 5.164 4.660 -0.000 0.000 0.327 52 W C 0.857 177.506 176.519 0.216 0.000 1.232 52 W CA -0.512 56.966 57.345 0.221 0.000 1.805 52 W CB -0.119 29.502 29.460 0.268 0.000 1.090 52 W HN 0.102 nan 8.180 nan 0.000 0.654 53 R N 0.336 121.063 120.500 0.378 0.000 2.725 53 R HA 0.405 4.745 4.340 -0.000 0.000 0.277 53 R C -0.523 175.915 176.300 0.231 0.000 0.987 53 R CA -1.046 55.227 56.100 0.288 0.000 0.901 53 R CB 1.921 32.399 30.300 0.297 0.000 1.207 53 R HN -0.118 nan 8.270 nan 0.000 0.463 54 K N 1.301 121.814 120.400 0.189 0.000 2.185 54 K HA 0.255 4.575 4.320 -0.000 0.000 0.269 54 K C 0.869 177.577 176.600 0.180 0.000 0.987 54 K CA -0.410 55.982 56.287 0.174 0.000 0.865 54 K CB 1.205 33.786 32.500 0.134 0.000 1.090 54 K HN 0.434 nan 8.250 nan 0.000 0.450 55 F N 3.438 123.415 119.950 0.046 0.000 2.147 55 F HA -0.332 4.195 4.527 -0.000 0.000 0.301 55 F C 1.937 177.736 175.800 -0.001 0.000 1.084 55 F CA 2.140 60.144 58.000 0.007 0.000 1.268 55 F CB 0.213 39.173 39.000 -0.066 0.000 1.009 55 F HN 0.744 nan 8.300 nan 0.000 0.486 56 E N -0.748 119.420 120.200 -0.053 0.000 2.153 56 E HA -0.227 4.123 4.350 -0.000 0.000 0.194 56 E C 1.479 178.005 176.600 -0.122 0.000 0.988 56 E CA 1.552 57.875 56.400 -0.128 0.000 0.811 56 E CB -0.581 29.123 29.700 0.007 0.000 0.746 56 E HN 0.437 nan 8.360 nan 0.000 0.466 57 D N 1.338 121.708 120.400 -0.050 0.000 2.234 57 D HA -0.033 4.607 4.640 -0.000 0.000 0.205 57 D C 1.728 178.014 176.300 -0.024 0.000 0.962 57 D CA 0.998 54.988 54.000 -0.015 0.000 0.855 57 D CB 0.116 40.937 40.800 0.035 0.000 0.951 57 D HN 0.517 nan 8.370 nan 0.000 0.500 58 I N -1.411 119.134 120.570 -0.041 0.000 3.736 58 I HA 0.254 4.424 4.170 -0.000 0.000 0.338 58 I C -0.434 175.670 176.117 -0.021 0.000 1.558 58 I CA -0.432 60.894 61.300 0.044 0.000 1.147 58 I CB 0.234 38.353 38.000 0.200 0.000 1.275 58 I HN -0.259 nan 8.210 nan 0.000 0.454 59 S N -0.438 115.180 115.700 -0.138 0.000 2.547 59 S HA 0.753 5.223 4.470 -0.000 0.000 0.270 59 S C -0.953 173.637 174.600 -0.017 0.000 1.150 59 S CA -0.725 57.396 58.200 -0.131 0.000 0.850 59 S CB 2.095 64.910 63.200 -0.642 0.000 1.118 59 S HN 0.013 nan 8.310 nan 0.000 0.461 60 V N 1.914 121.924 119.914 0.159 0.000 2.483 60 V HA 0.518 4.638 4.120 -0.000 0.000 0.297 60 V C -2.708 173.468 176.094 0.135 0.000 1.027 60 V CA -2.061 60.315 62.300 0.127 0.000 0.855 60 V CB 1.608 33.521 31.823 0.149 0.000 0.995 60 V HN 0.796 nan 8.190 nan 0.000 0.424 61 P HA 0.190 nan 4.420 nan 0.000 0.262 61 P C 0.636 177.917 177.300 -0.033 0.000 1.199 61 P CA 0.287 63.424 63.100 0.061 0.000 0.763 61 P CB 0.645 32.367 31.700 0.037 0.000 0.790 62 L N 2.968 124.100 121.223 -0.152 0.000 2.249 62 L HA -0.030 4.310 4.340 -0.000 0.000 0.207 62 L C 2.355 178.940 176.870 -0.475 0.000 1.090 62 L CA 1.092 55.682 54.840 -0.416 0.000 0.802 62 L CB -0.719 40.847 42.059 -0.822 0.000 0.947 62 L HN 0.355 nan 8.230 nan 0.000 0.453 63 A N 1.228 123.853 122.820 -0.324 0.000 1.892 63 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 63 A C -0.054 177.517 177.584 -0.022 0.000 1.188 63 A CA 1.947 53.972 52.037 -0.020 0.000 0.631 63 A CB -1.822 17.280 19.000 0.170 0.000 0.822 63 A HN 0.317 nan 8.150 nan 0.000 0.447 64 P HA 0.003 nan 4.420 nan 0.000 0.224 64 P C 1.482 178.701 177.300 -0.135 0.000 1.157 64 P CA 0.406 63.466 63.100 -0.066 0.000 0.799 64 P CB 0.009 31.679 31.700 -0.050 0.000 0.809 65 L N -0.562 120.566 121.223 -0.158 0.000 2.034 65 L HA -0.011 4.329 4.340 -0.000 0.000 0.203 65 L C 2.280 178.938 176.870 -0.353 0.000 1.074 65 L CA 1.588 56.291 54.840 -0.229 0.000 0.748 65 L CB -1.378 40.618 42.059 -0.104 0.000 0.905 65 L HN -0.212 nan 8.230 nan 0.000 0.439 66 L N -0.082 121.038 121.223 -0.172 0.000 2.081 66 L HA -0.194 4.146 4.340 -0.000 0.000 0.212 66 L C -0.314 176.472 176.870 -0.140 0.000 1.080 66 L CA 1.372 56.177 54.840 -0.059 0.000 0.754 66 L CB -2.057 40.041 42.059 0.066 0.000 0.893 66 L HN 0.285 nan 8.230 nan 0.000 0.433 67 P HA -0.168 nan 4.420 nan 0.000 0.221 67 P C 1.222 178.378 177.300 -0.240 0.000 1.145 67 P CA 1.263 64.291 63.100 -0.121 0.000 0.795 67 P CB -0.008 31.646 31.700 -0.077 0.000 0.775 68 K N -1.491 118.621 120.400 -0.480 0.000 2.362 68 K HA -0.033 4.287 4.320 -0.000 0.000 0.200 68 K C 0.358 176.572 176.600 -0.644 0.000 1.046 68 K CA 0.948 56.855 56.287 -0.633 0.000 0.952 68 K CB -0.254 31.738 32.500 -0.846 0.000 0.753 68 K HN 0.215 nan 8.250 nan 0.000 0.466 69 F N 0.836 120.701 119.950 -0.142 0.000 2.772 69 F HA 0.260 4.787 4.527 -0.000 0.000 0.302 69 F C -0.235 175.502 175.800 -0.106 0.000 1.136 69 F CA -1.020 56.873 58.000 -0.177 0.000 1.322 69 F CB -0.635 38.167 39.000 -0.330 0.000 0.967 69 F HN -0.045 nan 8.300 nan 0.000 0.513 70 N N 1.359 120.064 118.700 0.008 0.000 2.727 70 N HA -0.237 4.503 4.740 -0.000 0.000 0.249 70 N C -0.480 175.067 175.510 0.062 0.000 1.048 70 N CA 0.561 53.624 53.050 0.021 0.000 0.714 70 N CB -1.400 37.098 38.487 0.018 0.000 0.959 70 N HN 0.399 nan 8.380 nan 0.000 0.544 71 I N 0.814 121.434 120.570 0.084 0.000 2.355 71 I HA 0.108 4.278 4.170 -0.000 0.000 0.288 71 I C 0.736 176.937 176.117 0.140 0.000 0.999 71 I CA -0.494 60.888 61.300 0.136 0.000 1.163 71 I CB 1.658 39.779 38.000 0.202 0.000 1.316 71 I HN 0.038 nan 8.210 nan 0.000 0.454 72 E N 7.230 127.516 120.200 0.144 0.000 2.217 72 E HA 0.121 4.471 4.350 -0.000 0.000 0.279 72 E C -1.460 175.267 176.600 0.211 0.000 1.068 72 E CA -0.337 56.150 56.400 0.144 0.000 0.882 72 E CB 0.756 30.520 29.700 0.106 0.000 1.039 72 E HN 0.470 nan 8.360 nan 0.000 0.418 73 F N 6.690 126.672 119.950 0.053 0.000 2.411 73 F HA 0.361 4.888 4.527 -0.000 0.000 0.352 73 F C -0.723 175.105 175.800 0.046 0.000 1.123 73 F CA -1.190 56.843 58.000 0.055 0.000 1.044 73 F CB 0.689 39.721 39.000 0.054 0.000 1.135 73 F HN 0.487 nan 8.300 nan 0.000 0.461 74 I N 5.210 125.434 120.570 -0.576 0.000 2.355 74 I HA 0.425 4.595 4.170 -0.000 0.000 0.288 74 I C -0.951 174.657 176.117 -0.848 0.000 0.999 74 I CA -0.386 60.589 61.300 -0.542 0.000 1.163 74 I CB 1.349 39.223 38.000 -0.209 0.000 1.316 74 I HN 0.596 nan 8.210 nan 0.000 0.454 75 N N 5.974 124.229 118.700 -0.741 0.000 3.245 75 N HA 0.281 5.021 4.740 -0.000 0.000 0.296 75 N C -1.058 174.329 175.510 -0.204 0.000 1.254 75 N CA 0.159 52.916 53.050 -0.488 0.000 1.190 75 N CB -0.076 38.318 38.487 -0.155 0.000 1.460 75 N HN 0.810 nan 8.380 nan 0.000 0.538 76 E N -0.093 119.992 120.200 -0.191 0.000 2.413 76 E HA 0.176 4.526 4.350 -0.000 0.000 0.277 76 E C -1.196 175.358 176.600 -0.077 0.000 0.958 76 E CA -0.888 55.453 56.400 -0.099 0.000 0.779 76 E CB 2.012 31.663 29.700 -0.082 0.000 1.278 76 E HN 0.146 nan 8.360 nan 0.000 0.456 77 K N 1.370 121.742 120.400 -0.047 0.000 2.312 77 K HA 0.399 4.719 4.320 -0.000 0.000 0.287 77 K C -0.638 175.944 176.600 -0.031 0.000 1.062 77 K CA -0.211 56.056 56.287 -0.034 0.000 0.934 77 K CB 0.754 33.239 32.500 -0.023 0.000 1.027 77 K HN 0.549 nan 8.250 nan 0.000 0.478 78 A N 4.136 126.938 122.820 -0.030 0.000 2.548 78 A HA -0.019 4.301 4.320 -0.000 0.000 0.247 78 A C 0.739 178.313 177.584 -0.017 0.000 1.067 78 A CA 0.152 52.175 52.037 -0.023 0.000 0.757 78 A CB 0.235 19.221 19.000 -0.024 0.000 0.996 78 A HN 1.054 nan 8.150 nan 0.000 0.504 79 E N 1.728 121.921 120.200 -0.013 0.000 2.175 79 E HA 0.086 4.436 4.350 -0.000 0.000 0.195 79 E C 0.531 177.126 176.600 -0.008 0.000 0.934 79 E CA 0.897 57.291 56.400 -0.010 0.000 0.870 79 E CB 0.317 30.012 29.700 -0.008 0.000 0.838 79 E HN 0.795 nan 8.360 nan 0.000 0.474 80 S N -0.440 115.256 115.700 -0.006 0.000 2.569 80 S HA 0.605 5.075 4.470 -0.000 0.000 0.280 80 S C -0.689 173.910 174.600 -0.002 0.000 1.111 80 S CA -0.975 57.222 58.200 -0.006 0.000 0.887 80 S CB 1.535 64.732 63.200 -0.005 0.000 1.095 80 S HN 0.158 nan 8.310 nan 0.000 0.476 81 I N 1.898 122.463 120.570 -0.009 0.000 2.418 81 I HA 0.382 4.552 4.170 -0.000 0.000 0.287 81 I C -1.090 175.014 176.117 -0.022 0.000 1.008 81 I CA -0.386 60.913 61.300 -0.001 0.000 1.104 81 I CB 1.838 39.825 38.000 -0.021 0.000 1.264 81 I HN 0.659 nan 8.210 nan 0.000 0.438 82 D N 8.996 129.392 120.400 -0.008 0.000 2.485 82 D HA 0.271 4.910 4.640 -0.000 0.000 0.229 82 D C -1.676 174.574 176.300 -0.083 0.000 1.101 82 D CA -2.304 51.668 54.000 -0.046 0.000 0.906 82 D CB 1.533 42.315 40.800 -0.029 0.000 1.019 82 D HN 0.199 nan 8.370 nan 0.000 0.516 83 P HA -0.036 nan 4.420 nan 0.000 0.223 83 P C 0.467 177.632 177.300 -0.225 0.000 1.151 83 P CA 0.545 63.419 63.100 -0.377 0.000 0.787 83 P CB 0.687 31.704 31.700 -1.139 0.000 0.788 84 D N -0.163 120.179 120.400 -0.098 0.000 2.323 84 D HA 0.053 4.693 4.640 -0.000 0.000 0.209 84 D C 1.658 177.944 176.300 -0.023 0.000 0.973 84 D CA 0.764 54.784 54.000 0.033 0.000 0.874 84 D CB 0.010 40.846 40.800 0.059 0.000 0.930 84 D HN 0.187 nan 8.370 nan 0.000 0.521 85 A N 0.162 122.939 122.820 -0.072 0.000 2.431 85 A HA 0.084 4.404 4.320 -0.000 0.000 0.239 85 A C 0.395 177.865 177.584 -0.189 0.000 1.230 85 A CA -0.205 51.776 52.037 -0.094 0.000 0.928 85 A CB 0.142 19.105 19.000 -0.063 0.000 1.006 85 A HN -0.040 nan 8.150 nan 0.000 0.520 86 N N 1.192 119.716 118.700 -0.294 0.000 2.714 86 N HA -0.125 4.615 4.740 -0.000 0.000 0.253 86 N C -0.075 175.001 175.510 -0.723 0.000 1.024 86 N CA 1.576 54.166 53.050 -0.766 0.000 0.726 86 N CB -1.522 36.495 38.487 -0.784 0.000 0.908 86 N HN 0.856 nan 8.380 nan 0.000 0.542 87 T N -4.311 110.134 114.554 -0.183 0.000 2.865 87 T HA 0.810 5.160 4.350 -0.000 0.000 0.294 87 T C -0.309 174.506 174.700 0.191 0.000 1.119 87 T CA -0.778 61.346 62.100 0.039 0.000 1.007 87 T CB 2.876 71.739 68.868 -0.008 0.000 1.225 87 T HN -0.109 nan 8.240 nan 0.000 0.515 88 V N 0.909 120.904 119.914 0.136 0.000 2.668 88 V HA 0.587 4.707 4.120 -0.000 0.000 0.304 88 V C -0.393 175.727 176.094 0.044 0.000 1.071 88 V CA -0.731 61.618 62.300 0.082 0.000 0.894 88 V CB 2.097 33.959 31.823 0.065 0.000 1.008 88 V HN 1.167 nan 8.190 nan 0.000 0.425 89 T N 3.242 117.809 114.554 0.022 0.000 2.794 89 T HA 0.591 4.941 4.350 -0.000 0.000 0.280 89 T C 0.263 174.964 174.700 0.001 0.000 0.987 89 T CA -0.337 61.769 62.100 0.011 0.000 0.993 89 T CB 1.543 70.414 68.868 0.006 0.000 0.939 89 T HN 0.953 nan 8.240 nan 0.000 0.449 90 T N 0.664 115.216 114.554 -0.004 0.000 2.912 90 T HA 0.304 4.654 4.350 -0.000 0.000 0.280 90 T C 1.293 175.985 174.700 -0.013 0.000 0.989 90 T CA -0.751 61.340 62.100 -0.014 0.000 0.995 90 T CB 1.163 70.016 68.868 -0.024 0.000 1.077 90 T HN 0.505 nan 8.240 nan 0.000 0.531 91 Q N 0.325 120.115 119.800 -0.017 0.000 2.234 91 Q HA -0.141 4.199 4.340 -0.000 0.000 0.206 91 Q C 2.231 178.225 176.000 -0.010 0.000 0.980 91 Q CA 1.949 57.744 55.803 -0.013 0.000 0.869 91 Q CB -0.340 28.390 28.738 -0.014 0.000 0.912 91 Q HN 0.896 nan 8.270 nan 0.000 0.436 92 S N -2.425 113.268 115.700 -0.012 0.000 2.414 92 S HA 0.127 4.597 4.470 -0.000 0.000 0.227 92 S C 1.405 176.001 174.600 -0.006 0.000 1.022 92 S CA 0.692 58.887 58.200 -0.009 0.000 0.958 92 S CB 0.541 63.734 63.200 -0.011 0.000 0.797 92 S HN 0.552 nan 8.310 nan 0.000 0.493 93 G N 0.751 109.548 108.800 -0.006 0.000 2.234 93 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.153 93 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.153 93 G C -0.158 174.742 174.900 -0.000 0.000 1.013 93 G CA -0.163 44.936 45.100 -0.003 0.000 0.712 93 G HN 0.624 nan 8.290 nan 0.000 0.491 94 K N 1.626 122.025 120.400 -0.001 0.000 2.349 94 K HA 0.322 4.642 4.320 -0.000 0.000 0.289 94 K C 0.084 176.691 176.600 0.011 0.000 1.064 94 K CA -0.279 56.010 56.287 0.004 0.000 0.947 94 K CB 0.164 32.663 32.500 -0.000 0.000 1.007 94 K HN 0.104 nan 8.250 nan 0.000 0.478 95 K N 5.044 125.453 120.400 0.016 0.000 2.316 95 K HA 0.180 4.500 4.320 -0.000 0.000 0.289 95 K C -0.499 176.126 176.600 0.041 0.000 1.070 95 K CA -0.396 55.905 56.287 0.023 0.000 0.928 95 K CB 0.581 33.090 32.500 0.015 0.000 1.039 95 K HN 0.455 nan 8.250 nan 0.000 0.480 96 I N 2.813 123.419 120.570 0.060 0.000 2.378 96 I HA 0.137 4.307 4.170 -0.000 0.000 0.291 96 I C 0.382 176.567 176.117 0.113 0.000 0.992 96 I CA -0.405 60.955 61.300 0.100 0.000 1.154 96 I CB 1.547 39.614 38.000 0.112 0.000 1.315 96 I HN 0.456 nan 8.210 nan 0.000 0.448 97 E N 5.035 125.304 120.200 0.115 0.000 2.374 97 E HA 0.434 4.784 4.350 -0.000 0.000 0.260 97 E C -1.418 175.253 176.600 0.119 0.000 1.101 97 E CA -0.282 56.152 56.400 0.058 0.000 0.907 97 E CB 1.122 30.842 29.700 0.034 0.000 1.014 97 E HN 0.545 nan 8.360 nan 0.000 0.427 98 Y N -1.330 118.961 120.300 -0.015 0.000 2.552 98 Y HA 0.351 4.901 4.550 -0.000 0.000 0.337 98 Y C -0.428 175.454 175.900 -0.030 0.000 1.094 98 Y CA -0.947 57.102 58.100 -0.084 0.000 1.028 98 Y CB 1.133 39.519 38.460 -0.123 0.000 1.321 98 Y HN 0.314 nan 8.280 nan 0.000 0.456 99 D N 1.147 121.653 120.400 0.177 0.000 2.301 99 D HA 0.059 4.699 4.640 -0.000 0.000 0.206 99 D C -0.724 175.506 176.300 -0.115 0.000 0.979 99 D CA 1.409 55.410 54.000 0.002 0.000 0.874 99 D CB 0.307 41.147 40.800 0.067 0.000 0.968 99 D HN 0.531 nan 8.370 nan 0.000 0.510 100 Y N -0.407 120.129 120.300 0.392 0.000 2.504 100 Y HA 0.441 4.991 4.550 -0.000 0.000 0.344 100 Y C -0.713 175.226 175.900 0.064 0.000 1.023 100 Y CA -1.228 57.069 58.100 0.328 0.000 1.020 100 Y CB 2.103 40.699 38.460 0.226 0.000 1.282 100 Y HN -0.287 nan 8.280 nan 0.000 0.454 101 L N 2.887 124.087 121.223 -0.038 0.000 2.365 101 L HA 0.864 5.204 4.340 -0.000 0.000 0.273 101 L C -1.573 175.271 176.870 -0.043 0.000 1.000 101 L CA -0.791 53.792 54.840 -0.428 0.000 0.819 101 L CB 1.903 43.292 42.059 -1.116 0.000 1.284 101 L HN 0.436 nan 8.230 nan 0.000 0.418 102 V N 6.390 126.273 119.914 -0.053 0.000 2.376 102 V HA 0.446 4.566 4.120 -0.000 0.000 0.287 102 V C -0.043 176.052 176.094 0.002 0.000 1.015 102 V CA -0.427 61.897 62.300 0.039 0.000 0.834 102 V CB 1.353 33.194 31.823 0.030 0.000 1.001 102 V HN 0.591 nan 8.190 nan 0.000 0.428 103 I N 4.235 124.821 120.570 0.028 0.000 2.312 103 I HA 0.605 4.775 4.170 -0.000 0.000 0.291 103 I C 0.650 176.788 176.117 0.034 0.000 1.031 103 I CA 0.011 61.318 61.300 0.011 0.000 1.293 103 I CB 1.379 39.384 38.000 0.009 0.000 1.403 103 I HN 0.705 nan 8.210 nan 0.000 0.484 104 A N 3.594 126.424 122.820 0.017 0.000 3.234 104 A HA 0.228 4.548 4.320 -0.000 0.000 0.247 104 A C 0.943 178.529 177.584 0.003 0.000 0.938 104 A CA -0.294 51.755 52.037 0.019 0.000 1.039 104 A CB -0.318 18.695 19.000 0.021 0.000 1.197 104 A HN 0.730 nan 8.150 nan 0.000 0.498 105 T N -2.934 111.615 114.554 -0.009 0.000 3.118 105 T HA 0.413 4.763 4.350 -0.000 0.000 0.260 105 T C 1.355 176.024 174.700 -0.052 0.000 1.139 105 T CA 1.169 63.254 62.100 -0.025 0.000 1.085 105 T CB -0.323 68.529 68.868 -0.028 0.000 0.934 105 T HN 2.120 nan 8.240 nan 0.000 0.518 106 G N 2.378 111.141 108.800 -0.061 0.000 2.645 106 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.246 106 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.246 106 G C -2.830 171.955 174.900 -0.192 0.000 1.322 106 G CA -0.467 44.559 45.100 -0.123 0.000 0.898 106 G HN 0.571 nan 8.290 nan 0.000 0.573 107 P HA 0.388 nan 4.420 nan 0.000 0.284 107 P C -0.879 176.240 177.300 -0.302 0.000 1.253 107 P CA -0.275 62.509 63.100 -0.527 0.000 0.800 107 P CB 1.374 32.221 31.700 -1.422 0.000 0.961 108 K N 3.835 124.133 120.400 -0.170 0.000 2.292 108 K HA 0.316 4.636 4.320 -0.000 0.000 0.270 108 K C -0.169 176.399 176.600 -0.053 0.000 1.062 108 K CA -0.624 55.612 56.287 -0.085 0.000 0.916 108 K CB -0.013 32.465 32.500 -0.038 0.000 1.166 108 K HN 0.442 nan 8.250 nan 0.000 0.458 109 L N 4.031 125.207 121.223 -0.079 0.000 2.455 109 L HA 0.166 4.506 4.340 -0.000 0.000 0.272 109 L C -0.291 176.409 176.870 -0.283 0.000 1.174 109 L CA -0.585 54.156 54.840 -0.165 0.000 0.869 109 L CB 0.677 42.558 42.059 -0.297 0.000 1.130 109 L HN 0.256 nan 8.230 nan 0.000 0.474 110 V N 4.080 123.804 119.914 -0.318 0.000 2.376 110 V HA 0.250 4.370 4.120 -0.000 0.000 0.287 110 V C -0.323 175.581 176.094 -0.318 0.000 1.015 110 V CA -0.289 61.872 62.300 -0.231 0.000 0.834 110 V CB 1.206 32.981 31.823 -0.080 0.000 1.001 110 V HN 0.426 nan 8.190 nan 0.000 0.428 111 F N 3.591 123.538 119.950 -0.004 0.000 2.606 111 F HA 0.355 4.882 4.527 -0.000 0.000 0.347 111 F C 1.771 177.539 175.800 -0.053 0.000 1.207 111 F CA -0.218 57.759 58.000 -0.039 0.000 1.306 111 F CB 0.267 39.235 39.000 -0.053 0.000 1.657 111 F HN 0.609 nan 8.300 nan 0.000 0.606 112 G N 1.307 110.132 108.800 0.042 0.000 2.513 112 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.219 112 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.219 112 G C 1.083 175.980 174.900 -0.006 0.000 1.160 112 G CA 0.600 45.704 45.100 0.006 0.000 0.767 112 G HN 0.632 nan 8.290 nan 0.000 0.571 113 A N 0.114 122.915 122.820 -0.031 0.000 2.483 113 A HA 0.419 4.739 4.320 -0.000 0.000 0.238 113 A C 0.453 178.001 177.584 -0.060 0.000 1.070 113 A CA -0.101 51.891 52.037 -0.076 0.000 0.770 113 A CB 0.180 19.081 19.000 -0.165 0.000 1.008 113 A HN 0.487 nan 8.150 nan 0.000 0.497 114 E N 1.016 121.175 120.200 -0.068 0.000 2.366 114 E HA 0.372 4.722 4.350 -0.000 0.000 0.266 114 E C 1.183 177.735 176.600 -0.081 0.000 1.015 114 E CA 0.770 57.134 56.400 -0.060 0.000 0.906 114 E CB -0.049 29.619 29.700 -0.054 0.000 0.979 114 E HN 1.480 nan 8.360 nan 0.000 0.443 115 G N 3.702 112.455 108.800 -0.078 0.000 2.205 115 G HA2 -0.416 3.544 3.960 -0.000 0.000 0.261 115 G HA3 -0.416 3.544 3.960 -0.000 0.000 0.261 115 G C 0.875 175.698 174.900 -0.129 0.000 0.980 115 G CA 0.588 45.630 45.100 -0.097 0.000 0.632 115 G HN 0.660 nan 8.290 nan 0.000 0.533 116 Q N 0.132 119.858 119.800 -0.124 0.000 2.061 116 Q HA -0.130 4.210 4.340 -0.000 0.000 0.204 116 Q C 2.248 178.088 176.000 -0.267 0.000 0.984 116 Q CA 2.095 57.813 55.803 -0.142 0.000 0.846 116 Q CB -0.179 28.536 28.738 -0.038 0.000 0.902 116 Q HN 0.748 nan 8.270 nan 0.000 0.421 117 E N -0.342 119.652 120.200 -0.342 0.000 2.106 117 E HA -0.189 4.161 4.350 -0.000 0.000 0.192 117 E C 1.721 178.057 176.600 -0.439 0.000 0.984 117 E CA 1.356 57.360 56.400 -0.660 0.000 0.806 117 E CB 0.154 29.519 29.700 -0.557 0.000 0.750 117 E HN 0.478 nan 8.360 nan 0.000 0.458 118 E N -0.559 119.483 120.200 -0.263 0.000 2.340 118 E HA -0.037 4.313 4.350 -0.000 0.000 0.194 118 E C 1.000 177.502 176.600 -0.163 0.000 0.996 118 E CA 0.372 56.659 56.400 -0.189 0.000 0.869 118 E CB 0.128 29.751 29.700 -0.128 0.000 0.835 118 E HN 0.171 nan 8.360 nan 0.000 0.493 119 N N 0.567 119.166 118.700 -0.167 0.000 2.510 119 N HA 0.041 4.781 4.740 -0.000 0.000 0.186 119 N C 0.854 176.268 175.510 -0.161 0.000 1.051 119 N CA 0.267 53.236 53.050 -0.137 0.000 0.877 119 N CB 0.389 38.810 38.487 -0.110 0.000 1.183 119 N HN -0.016 nan 8.380 nan 0.000 0.443 120 S N -0.338 115.250 115.700 -0.187 0.000 2.598 120 S HA 0.535 5.005 4.470 -0.000 0.000 0.267 120 S C -0.032 174.415 174.600 -0.255 0.000 1.189 120 S CA -0.271 57.812 58.200 -0.196 0.000 1.010 120 S CB 0.286 63.428 63.200 -0.097 0.000 1.084 120 S HN 0.408 nan 8.310 nan 0.000 0.541 121 T N -0.497 113.894 114.554 -0.272 0.000 2.900 121 T HA 0.682 5.032 4.350 -0.000 0.000 0.303 121 T C -0.745 173.828 174.700 -0.212 0.000 1.142 121 T CA -0.776 61.170 62.100 -0.257 0.000 1.007 121 T CB 1.348 70.089 68.868 -0.212 0.000 1.156 121 T HN 0.683 nan 8.240 nan 0.000 0.490 122 S N 0.561 116.153 115.700 -0.180 0.000 2.671 122 S HA 0.716 5.186 4.470 -0.000 0.000 0.299 122 S C 0.303 174.876 174.600 -0.045 0.000 1.116 122 S CA -0.991 57.162 58.200 -0.079 0.000 0.912 122 S CB 1.192 64.456 63.200 0.107 0.000 1.130 122 S HN 1.266 nan 8.310 nan 0.000 0.501 123 I N -2.135 118.430 120.570 -0.008 0.000 3.966 123 I HA 0.404 4.574 4.170 -0.000 0.000 0.324 123 I C 0.956 177.185 176.117 0.187 0.000 1.517 123 I CA -0.477 60.849 61.300 0.044 0.000 1.117 123 I CB -0.156 37.819 38.000 -0.043 0.000 1.190 123 I HN 0.570 nan 8.210 nan 0.000 0.466 124 C N 1.494 120.928 119.300 0.224 0.000 2.485 124 C HA 0.159 4.619 4.460 -0.000 0.000 0.278 124 C C 1.659 176.821 174.990 0.287 0.000 1.356 124 C CA 1.541 60.727 59.018 0.279 0.000 1.747 124 C CB -0.632 27.256 27.740 0.247 0.000 2.001 124 C HN 0.729 nan 8.230 nan 0.000 0.501 125 T N -2.662 111.954 114.554 0.104 0.000 2.940 125 T HA 0.639 4.989 4.350 -0.000 0.000 0.288 125 T C 0.935 175.327 174.700 -0.512 0.000 1.045 125 T CA 0.066 62.080 62.100 -0.143 0.000 1.018 125 T CB 1.571 70.322 68.868 -0.194 0.000 1.151 125 T HN 0.143 nan 8.240 nan 0.000 0.529 126 A N 0.449 122.860 122.820 -0.682 0.000 1.902 126 A HA -0.030 4.290 4.320 -0.000 0.000 0.217 126 A C 2.093 179.474 177.584 -0.337 0.000 1.181 126 A CA 1.672 53.339 52.037 -0.617 0.000 0.623 126 A CB -1.065 17.775 19.000 -0.266 0.000 0.818 126 A HN 0.942 nan 8.150 nan 0.000 0.443 127 E N -0.756 119.275 120.200 -0.283 0.000 2.051 127 E HA -0.180 4.170 4.350 -0.000 0.000 0.192 127 E C 2.028 178.574 176.600 -0.090 0.000 0.991 127 E CA 1.450 57.722 56.400 -0.214 0.000 0.799 127 E CB -0.316 29.250 29.700 -0.222 0.000 0.748 127 E HN 0.677 nan 8.360 nan 0.000 0.449 128 H N -0.064 118.947 119.070 -0.098 0.000 2.352 128 H HA -0.028 4.528 4.556 -0.000 0.000 0.299 128 H C 1.991 177.277 175.328 -0.071 0.000 1.097 128 H CA 1.412 57.422 56.048 -0.063 0.000 1.311 128 H CB -0.644 29.113 29.762 -0.008 0.000 1.377 128 H HN 0.244 nan 8.280 nan 0.000 0.504 129 A N 0.697 123.526 122.820 0.014 0.000 1.930 129 A HA -0.078 4.242 4.320 -0.000 0.000 0.217 129 A C 2.662 180.254 177.584 0.012 0.000 1.175 129 A CA 1.073 53.110 52.037 -0.000 0.000 0.627 129 A CB -0.787 18.180 19.000 -0.056 0.000 0.815 129 A HN 0.311 nan 8.150 nan 0.000 0.443 130 L N -1.031 120.174 121.223 -0.030 0.000 2.141 130 L HA -0.142 4.197 4.340 -0.000 0.000 0.209 130 L C 2.562 179.434 176.870 0.003 0.000 1.094 130 L CA 1.466 56.295 54.840 -0.019 0.000 0.763 130 L CB -0.349 41.664 42.059 -0.077 0.000 0.908 130 L HN 0.386 nan 8.230 nan 0.000 0.437 131 E N -0.016 120.190 120.200 0.010 0.000 2.106 131 E HA -0.158 4.192 4.350 -0.000 0.000 0.192 131 E C 2.033 178.657 176.600 0.039 0.000 0.984 131 E CA 1.681 58.094 56.400 0.021 0.000 0.806 131 E CB -0.059 29.662 29.700 0.035 0.000 0.750 131 E HN 0.319 nan 8.360 nan 0.000 0.458 132 T N 0.290 114.878 114.554 0.057 0.000 2.777 132 T HA -0.182 4.168 4.350 -0.000 0.000 0.266 132 T C 1.667 176.443 174.700 0.126 0.000 1.040 132 T CA 1.245 63.415 62.100 0.117 0.000 1.141 132 T CB -0.349 68.585 68.868 0.111 0.000 0.868 132 T HN 0.134 nan 8.240 nan 0.000 0.444 133 Q N 1.976 121.824 119.800 0.081 0.000 2.096 133 Q HA -0.170 4.170 4.340 -0.000 0.000 0.208 133 Q C 2.018 178.027 176.000 0.014 0.000 0.993 133 Q CA 1.858 57.689 55.803 0.047 0.000 0.862 133 Q CB -0.350 28.419 28.738 0.052 0.000 0.915 133 Q HN 0.489 nan 8.270 nan 0.000 0.416 134 K N -0.074 120.341 120.400 0.025 0.000 2.032 134 K HA -0.153 4.167 4.320 -0.000 0.000 0.209 134 K C 2.226 178.827 176.600 0.000 0.000 1.048 134 K CA 1.667 57.962 56.287 0.013 0.000 0.927 134 K CB -0.167 32.343 32.500 0.016 0.000 0.712 134 K HN 0.190 nan 8.250 nan 0.000 0.441 135 K N 0.798 121.224 120.400 0.043 0.000 2.217 135 K HA -0.022 4.298 4.320 -0.000 0.000 0.202 135 K C 2.106 178.654 176.600 -0.086 0.000 1.051 135 K CA 0.682 57.021 56.287 0.085 0.000 0.952 135 K CB -0.026 32.630 32.500 0.259 0.000 0.736 135 K HN 0.125 nan 8.250 nan 0.000 0.453 136 L N 1.147 122.226 121.223 -0.239 0.000 2.141 136 L HA -0.205 4.135 4.340 -0.000 0.000 0.209 136 L C 2.496 178.847 176.870 -0.866 0.000 1.094 136 L CA 0.949 55.361 54.840 -0.714 0.000 0.763 136 L CB -0.300 41.415 42.059 -0.573 0.000 0.908 136 L HN 0.251 nan 8.230 nan 0.000 0.437 137 Q N 0.147 119.724 119.800 -0.371 0.000 2.061 137 Q HA -0.246 4.094 4.340 -0.000 0.000 0.204 137 Q C 1.962 177.876 176.000 -0.143 0.000 0.984 137 Q CA 1.547 57.257 55.803 -0.154 0.000 0.846 137 Q CB -0.328 28.403 28.738 -0.012 0.000 0.902 137 Q HN 0.590 nan 8.270 nan 0.000 0.421 138 E N 0.514 120.638 120.200 -0.126 0.000 2.130 138 E HA -0.204 4.146 4.350 -0.000 0.000 0.196 138 E C 2.059 178.600 176.600 -0.100 0.000 0.998 138 E CA 0.939 57.296 56.400 -0.070 0.000 0.806 138 E CB -0.142 29.546 29.700 -0.020 0.000 0.738 138 E HN 0.141 nan 8.360 nan 0.000 0.459 139 L N -0.076 121.002 121.223 -0.242 0.000 2.068 139 L HA -0.146 4.194 4.340 -0.000 0.000 0.204 139 L C 2.004 178.804 176.870 -0.117 0.000 1.076 139 L CA 1.440 56.138 54.840 -0.236 0.000 0.753 139 L CB -0.419 41.364 42.059 -0.459 0.000 0.910 139 L HN 0.023 nan 8.230 nan 0.000 0.439 140 Y N 0.275 120.518 120.300 -0.096 0.000 2.193 140 Y HA -0.214 4.336 4.550 -0.000 0.000 0.285 140 Y C 2.597 178.473 175.900 -0.041 0.000 1.166 140 Y CA 0.922 58.981 58.100 -0.068 0.000 1.181 140 Y CB -1.542 36.883 38.460 -0.058 0.000 0.976 140 Y HN 0.348 nan 8.280 nan 0.000 0.520 141 A N -0.432 122.453 122.820 0.107 0.000 1.975 141 A HA -0.025 4.295 4.320 -0.000 0.000 0.215 141 A C 0.558 178.161 177.584 0.032 0.000 1.170 141 A CA 0.723 52.796 52.037 0.060 0.000 0.656 141 A CB -0.535 18.491 19.000 0.044 0.000 0.821 141 A HN 0.454 nan 8.150 nan 0.000 0.449 142 N N 0.619 119.329 118.700 0.017 0.000 2.776 142 N HA 0.382 5.122 4.740 -0.000 0.000 0.245 142 N C -3.169 172.342 175.510 0.002 0.000 1.121 142 N CA -1.212 51.842 53.050 0.007 0.000 0.852 142 N CB 1.353 39.844 38.487 0.006 0.000 1.142 142 N HN 0.060 nan 8.380 nan 0.000 0.514 143 P HA 0.195 nan 4.420 nan 0.000 0.267 143 P C 0.147 177.443 177.300 -0.008 0.000 1.209 143 P CA 0.019 63.115 63.100 -0.007 0.000 0.763 143 P CB 1.085 32.766 31.700 -0.032 0.000 0.816 144 G N 3.410 112.215 108.800 0.008 0.000 2.682 144 G HA2 0.573 4.533 3.960 -0.000 0.000 0.303 144 G HA3 0.573 4.533 3.960 -0.000 0.000 0.303 144 G C -3.311 171.617 174.900 0.046 0.000 1.341 144 G CA -1.376 43.738 45.100 0.023 0.000 0.784 144 G HN 0.112 nan 8.290 nan 0.000 0.497 145 P HA 0.385 nan 4.420 nan 0.000 0.276 145 P C -0.366 177.007 177.300 0.122 0.000 1.243 145 P CA -0.274 62.872 63.100 0.076 0.000 0.768 145 P CB 1.396 33.136 31.700 0.068 0.000 0.856 146 V N 5.079 125.075 119.914 0.137 0.000 2.439 146 V HA 0.440 4.560 4.120 -0.000 0.000 0.282 146 V C 0.391 176.576 176.094 0.151 0.000 1.039 146 V CA -0.532 61.894 62.300 0.210 0.000 0.913 146 V CB 1.782 33.750 31.823 0.242 0.000 0.983 146 V HN 0.411 nan 8.190 nan 0.000 0.460 147 V N 6.623 126.616 119.914 0.133 0.000 2.789 147 V HA 0.777 4.897 4.120 -0.000 0.000 0.311 147 V C -1.018 174.997 176.094 -0.131 0.000 1.073 147 V CA -0.368 61.968 62.300 0.061 0.000 0.921 147 V CB 1.869 33.770 31.823 0.129 0.000 1.009 147 V HN 0.770 nan 8.190 nan 0.000 0.426 148 I N 5.067 125.417 120.570 -0.367 0.000 2.722 148 I HA 0.938 5.108 4.170 -0.000 0.000 0.295 148 I C 0.375 175.749 176.117 -1.239 0.000 1.161 148 I CA 0.204 61.073 61.300 -0.718 0.000 1.032 148 I CB 2.330 40.245 38.000 -0.141 0.000 1.244 148 I HN 1.102 nan 8.210 nan 0.000 0.421 149 G N 3.300 111.110 108.800 -1.651 0.000 2.441 149 G HA2 0.674 4.634 3.960 -0.000 0.000 0.225 149 G HA3 0.674 4.634 3.960 -0.000 0.000 0.225 149 G C -2.162 172.400 174.900 -0.564 0.000 1.200 149 G CA 0.108 44.419 45.100 -1.316 0.000 0.947 149 G HN 0.848 nan 8.290 nan 0.000 0.484 150 A N -0.141 122.613 122.820 -0.109 0.000 2.374 150 A HA 0.774 5.094 4.320 -0.000 0.000 0.305 150 A C 0.202 177.891 177.584 0.175 0.000 1.053 150 A CA -0.347 51.735 52.037 0.074 0.000 0.726 150 A CB 0.684 19.737 19.000 0.087 0.000 1.229 150 A HN 1.730 nan 8.150 nan 0.000 0.431 151 I N -0.219 120.409 120.570 0.097 0.000 3.322 151 I HA 0.505 4.675 4.170 -0.000 0.000 0.296 151 I C -2.449 173.669 176.117 0.002 0.000 1.101 151 I CA -2.209 59.095 61.300 0.007 0.000 1.166 151 I CB 0.099 38.063 38.000 -0.060 0.000 1.475 151 I HN 0.258 nan 8.210 nan 0.000 0.665 152 P HA 0.151 nan 4.420 nan 0.000 0.270 152 P C 0.532 177.815 177.300 -0.028 0.000 1.223 152 P CA 0.749 63.850 63.100 0.003 0.000 0.785 152 P CB 0.644 32.342 31.700 -0.003 0.000 0.923 153 G N -0.319 108.474 108.800 -0.012 0.000 2.189 153 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.267 153 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.267 153 G C 0.293 175.114 174.900 -0.132 0.000 0.975 153 G CA 0.078 45.151 45.100 -0.044 0.000 0.644 153 G HN 0.528 nan 8.290 nan 0.000 0.537 154 V N 1.045 120.846 119.914 -0.188 0.000 3.096 154 V HA 0.554 4.674 4.120 -0.000 0.000 0.306 154 V C 1.036 176.800 176.094 -0.549 0.000 1.088 154 V CA 0.803 62.800 62.300 -0.505 0.000 1.129 154 V CB 1.518 32.946 31.823 -0.660 0.000 1.014 154 V HN 1.142 nan 8.190 nan 0.000 0.486 158 G N 2.361 111.442 108.800 0.469 0.000 2.513 158 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.219 158 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.219 158 G C -0.839 174.274 174.900 0.354 0.000 1.160 158 G CA 1.738 47.020 45.100 0.304 0.000 0.767 158 G HN 0.248 nan 8.290 nan 0.000 0.571 159 P HA 0.074 nan 4.420 nan 0.000 0.223 159 P C 1.919 179.404 177.300 0.308 0.000 1.151 159 P CA 1.568 64.817 63.100 0.249 0.000 0.787 159 P CB -0.037 31.765 31.700 0.170 0.000 0.788 160 A N -1.554 121.456 122.820 0.316 0.000 1.898 160 A HA -0.157 4.163 4.320 -0.000 0.000 0.214 160 A C 1.964 179.860 177.584 0.520 0.000 1.183 160 A CA 1.103 53.333 52.037 0.323 0.000 0.622 160 A CB -1.694 17.405 19.000 0.164 0.000 0.824 160 A HN 0.076 nan 8.150 nan 0.000 0.444 161 Y N 0.488 121.115 120.300 0.544 0.000 2.145 161 Y HA -0.186 4.364 4.550 -0.000 0.000 0.286 161 Y C 2.532 178.668 175.900 0.394 0.000 1.145 161 Y CA 1.703 60.026 58.100 0.373 0.000 1.148 161 Y CB -0.384 38.254 38.460 0.297 0.000 0.981 161 Y HN 0.379 nan 8.280 nan 0.000 0.507 162 E N -0.598 119.938 120.200 0.559 0.000 2.065 162 E HA -0.291 4.059 4.350 -0.000 0.000 0.201 162 E C 2.081 178.918 176.600 0.395 0.000 1.016 162 E CA 1.883 58.564 56.400 0.468 0.000 0.818 162 E CB -0.584 29.321 29.700 0.342 0.000 0.749 162 E HN 0.462 nan 8.360 nan 0.000 0.453 163 F N 1.080 121.170 119.950 0.234 0.000 2.084 163 F HA -0.190 4.337 4.527 -0.000 0.000 0.296 163 F C 2.372 178.279 175.800 0.179 0.000 1.111 163 F CA 1.487 59.583 58.000 0.160 0.000 1.224 163 F CB -0.358 38.722 39.000 0.133 0.000 0.991 163 F HN -0.026 nan 8.300 nan 0.000 0.471 164 A N 0.913 123.942 122.820 0.348 0.000 1.881 164 A HA -0.250 4.070 4.320 -0.000 0.000 0.219 164 A C 2.160 179.793 177.584 0.081 0.000 1.215 164 A CA 2.101 54.256 52.037 0.197 0.000 0.648 164 A CB -1.317 17.840 19.000 0.261 0.000 0.832 164 A HN 0.433 nan 8.150 nan 0.000 0.455 165 L N -1.008 120.298 121.223 0.139 0.000 1.994 165 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 165 L C 2.815 179.827 176.870 0.236 0.000 1.071 165 L CA 2.216 57.133 54.840 0.127 0.000 0.745 165 L CB -1.391 40.721 42.059 0.088 0.000 0.892 165 L HN 0.487 nan 8.230 nan 0.000 0.431 166 M N -1.258 118.481 119.600 0.231 0.000 2.106 166 M HA -0.273 4.207 4.480 -0.000 0.000 0.259 166 M C 2.204 178.618 176.300 0.190 0.000 1.068 166 M CA 1.523 56.984 55.300 0.270 0.000 1.100 166 M CB -0.533 32.121 32.600 0.091 0.000 1.351 166 M HN 0.193 nan 8.290 nan 0.000 0.404 167 L N -0.224 120.945 121.223 -0.090 0.000 2.083 167 L HA -0.219 4.121 4.340 -0.000 0.000 0.209 167 L C 2.445 179.345 176.870 0.051 0.000 1.083 167 L CA 2.197 56.959 54.840 -0.131 0.000 0.752 167 L CB -0.928 40.940 42.059 -0.318 0.000 0.899 167 L HN 0.340 nan 8.230 nan 0.000 0.433 168 H N -2.014 117.069 119.070 0.022 0.000 2.321 168 H HA -0.294 4.262 4.556 -0.000 0.000 0.300 168 H C 2.120 177.507 175.328 0.098 0.000 1.087 168 H CA 2.321 58.393 56.048 0.040 0.000 1.319 168 H CB -0.548 29.217 29.762 0.005 0.000 1.379 168 H HN 0.481 nan 8.280 nan 0.000 0.501 169 Y N 1.104 121.389 120.300 -0.025 0.000 2.151 169 Y HA -0.239 4.311 4.550 -0.000 0.000 0.284 169 Y C 2.466 178.332 175.900 -0.057 0.000 1.166 169 Y CA 2.220 60.291 58.100 -0.048 0.000 1.163 169 Y CB -0.379 38.147 38.460 0.110 0.000 0.974 169 Y HN 0.435 nan 8.280 nan 0.000 0.511 170 E N -0.067 120.098 120.200 -0.057 0.000 2.046 170 E HA -0.138 4.212 4.350 -0.000 0.000 0.190 170 E C 1.945 178.413 176.600 -0.220 0.000 0.982 170 E CA 1.295 57.616 56.400 -0.132 0.000 0.800 170 E CB -0.597 29.160 29.700 0.095 0.000 0.756 170 E HN 0.383 nan 8.360 nan 0.000 0.449 171 L N 1.187 122.329 121.223 -0.135 0.000 2.079 171 L HA -0.141 4.199 4.340 -0.000 0.000 0.210 171 L C 2.277 179.050 176.870 -0.162 0.000 1.081 171 L CA 1.779 56.554 54.840 -0.109 0.000 0.752 171 L CB -0.755 41.281 42.059 -0.039 0.000 0.896 171 L HN 0.137 nan 8.230 nan 0.000 0.433 172 K N -0.797 119.445 120.400 -0.262 0.000 2.025 172 K HA -0.185 4.135 4.320 -0.000 0.000 0.207 172 K C 2.195 178.648 176.600 -0.245 0.000 1.049 172 K CA 1.207 57.341 56.287 -0.256 0.000 0.933 172 K CB -0.009 32.282 32.500 -0.348 0.000 0.714 172 K HN 0.164 nan 8.250 nan 0.000 0.438 173 K N 0.395 120.582 120.400 -0.353 0.000 2.044 173 K HA -0.161 4.159 4.320 -0.000 0.000 0.210 173 K C 1.878 178.346 176.600 -0.220 0.000 1.049 173 K CA 1.520 57.608 56.287 -0.331 0.000 0.927 173 K CB 0.008 32.246 32.500 -0.436 0.000 0.713 173 K HN 0.094 nan 8.250 nan 0.000 0.443 174 R N -0.735 119.635 120.500 -0.216 0.000 2.323 174 R HA 0.016 4.356 4.340 -0.000 0.000 0.198 174 R C 1.016 177.263 176.300 -0.089 0.000 0.988 174 R CA 0.541 56.541 56.100 -0.166 0.000 1.041 174 R CB 0.228 30.393 30.300 -0.226 0.000 0.926 174 R HN 0.411 nan 8.270 nan 0.000 0.476 175 G N 2.104 110.857 108.800 -0.079 0.000 2.168 175 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.257 175 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.257 175 G C 0.612 175.568 174.900 0.095 0.000 0.997 175 G CA 0.701 45.790 45.100 -0.019 0.000 0.708 175 G HN 0.549 nan 8.290 nan 0.000 0.520 176 I N -3.130 117.482 120.570 0.071 0.000 4.025 176 I HA 0.529 4.699 4.170 -0.000 0.000 0.336 176 I C 1.964 178.144 176.117 0.105 0.000 1.390 176 I CA 0.136 61.504 61.300 0.114 0.000 1.099 176 I CB 0.326 38.350 38.000 0.041 0.000 1.049 176 I HN 0.008 nan 8.210 nan 0.000 0.394 177 R N 2.628 123.196 120.500 0.114 0.000 2.091 177 R HA -0.244 4.096 4.340 -0.000 0.000 0.238 177 R C 1.998 178.388 176.300 0.149 0.000 1.136 177 R CA 2.476 58.629 56.100 0.088 0.000 0.959 177 R CB -1.113 29.204 30.300 0.027 0.000 0.856 177 R HN 0.779 nan 8.270 nan 0.000 0.437 178 Y N -1.492 118.810 120.300 0.003 0.000 2.578 178 Y HA 0.272 4.822 4.550 -0.000 0.000 0.297 178 Y C 0.751 176.661 175.900 0.016 0.000 1.176 178 Y CA 0.070 58.179 58.100 0.014 0.000 1.315 178 Y CB 0.263 38.728 38.460 0.009 0.000 1.031 178 Y HN -0.140 nan 8.280 nan 0.000 0.524 179 K N 0.714 120.893 120.400 -0.367 0.000 2.374 179 K HA 0.284 4.604 4.320 -0.000 0.000 0.202 179 K C -0.686 175.830 176.600 -0.140 0.000 1.040 179 K CA 0.152 56.212 56.287 -0.377 0.000 1.085 179 K CB 1.588 33.861 32.500 -0.378 0.000 0.873 179 K HN 0.146 nan 8.250 nan 0.000 0.539 180 V N 3.656 123.535 119.914 -0.058 0.000 2.385 180 V HA 0.230 4.350 4.120 -0.000 0.000 0.277 180 V C -2.561 173.552 176.094 0.031 0.000 1.012 180 V CA -2.006 60.293 62.300 -0.001 0.000 0.832 180 V CB 1.409 33.245 31.823 0.020 0.000 1.028 180 V HN -0.031 nan 8.190 nan 0.000 0.436 181 P HA 0.308 nan 4.420 nan 0.000 0.269 181 P C -0.510 176.826 177.300 0.060 0.000 1.217 181 P CA 0.062 63.189 63.100 0.044 0.000 0.783 181 P CB 0.493 32.216 31.700 0.038 0.000 0.898 182 M N 0.864 120.498 119.600 0.056 0.000 2.326 182 M HA 0.347 4.827 4.480 -0.000 0.000 0.292 182 M C -1.006 175.330 176.300 0.060 0.000 1.081 182 M CA -0.231 55.105 55.300 0.060 0.000 0.919 182 M CB 2.495 35.118 32.600 0.038 0.000 1.634 182 M HN 0.158 nan 8.290 nan 0.000 0.451 183 T N 1.915 116.519 114.554 0.084 0.000 2.879 183 T HA 0.510 4.860 4.350 -0.000 0.000 0.290 183 T C -1.286 173.502 174.700 0.146 0.000 0.993 183 T CA -0.465 61.704 62.100 0.116 0.000 0.975 183 T CB 1.405 70.327 68.868 0.089 0.000 0.981 183 T HN 0.434 nan 8.240 nan 0.000 0.439 184 F N 4.069 124.071 119.950 0.086 0.000 2.391 184 F HA 0.613 5.140 4.527 -0.000 0.000 0.359 184 F C -0.554 175.317 175.800 0.119 0.000 1.122 184 F CA -1.081 56.972 58.000 0.088 0.000 1.120 184 F CB 0.353 39.509 39.000 0.261 0.000 1.142 184 F HN 0.443 nan 8.300 nan 0.000 0.483 185 I N 5.561 125.993 120.570 -0.230 0.000 2.362 185 I HA 0.311 4.481 4.170 -0.000 0.000 0.289 185 I C -0.116 175.925 176.117 -0.125 0.000 0.994 185 I CA -0.452 60.803 61.300 -0.075 0.000 1.158 185 I CB 1.873 39.886 38.000 0.022 0.000 1.315 185 I HN 0.470 nan 8.210 nan 0.000 0.451 186 T N 2.235 116.794 114.554 0.009 0.000 2.906 186 T HA 0.247 4.597 4.350 -0.000 0.000 0.295 186 T C 0.886 175.620 174.700 0.056 0.000 1.061 186 T CA -0.424 61.706 62.100 0.050 0.000 1.000 186 T CB 1.657 70.607 68.868 0.138 0.000 1.103 186 T HN 0.692 nan 8.240 nan 0.000 0.486 187 S N 1.855 117.619 115.700 0.106 0.000 2.496 187 S HA 0.145 4.615 4.470 -0.000 0.000 0.224 187 S C 0.513 175.063 174.600 -0.082 0.000 0.996 187 S CA -0.022 58.210 58.200 0.054 0.000 0.927 187 S CB -0.439 62.832 63.200 0.118 0.000 0.774 187 S HN 0.796 nan 8.310 nan 0.000 0.524 188 E N 3.005 123.074 120.200 -0.219 0.000 2.481 188 E HA 0.034 4.383 4.350 -0.000 0.000 0.263 188 E C -1.514 174.841 176.600 -0.408 0.000 0.992 188 E CA -1.181 54.897 56.400 -0.536 0.000 0.938 188 E CB 0.388 29.699 29.700 -0.648 0.000 0.933 188 E HN 0.243 nan 8.360 nan 0.000 0.453 189 P HA -0.128 nan 4.420 nan 0.000 0.221 189 P C -0.557 176.693 177.300 -0.083 0.000 1.150 189 P CA 1.502 64.440 63.100 -0.270 0.000 0.800 189 P CB 0.011 31.558 31.700 -0.256 0.000 0.787 190 Y N -4.005 116.184 120.300 -0.185 0.000 2.670 190 Y HA 0.585 5.135 4.550 -0.000 0.000 0.334 190 Y C -0.616 175.109 175.900 -0.292 0.000 1.185 190 Y CA -2.368 55.625 58.100 -0.179 0.000 1.053 190 Y CB -0.235 38.133 38.460 -0.152 0.000 1.298 190 Y HN -0.410 nan 8.280 nan 0.000 0.459 191 L N 2.638 123.712 121.223 -0.247 0.000 2.490 191 L HA 0.401 4.741 4.340 -0.000 0.000 0.274 191 L C 1.310 177.879 176.870 -0.501 0.000 1.201 191 L CA 1.695 56.259 54.840 -0.461 0.000 0.869 191 L CB 0.103 41.663 42.059 -0.831 0.000 1.123 191 L HN 1.144 nan 8.230 nan 0.000 0.484 192 G N 1.430 109.671 108.800 -0.931 0.000 2.147 192 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.244 192 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.244 192 G C 1.210 175.263 174.900 -1.412 0.000 1.005 192 G CA 0.553 44.729 45.100 -1.541 0.000 0.713 192 G HN 0.857 nan 8.290 nan 0.000 0.515 193 H N -0.133 118.189 119.070 -1.248 0.000 2.372 193 H HA 0.012 4.568 4.556 -0.000 0.000 0.301 193 H C 2.081 176.991 175.328 -0.697 0.000 1.065 193 H CA 1.734 57.180 56.048 -1.003 0.000 1.364 193 H CB -0.124 28.907 29.762 -1.217 0.000 1.406 193 H HN 0.770 nan 8.280 nan 0.000 0.521 194 F N -0.454 119.271 119.950 -0.374 0.000 3.093 194 F HA -0.232 4.295 4.527 -0.000 0.000 0.283 194 F C 1.547 177.353 175.800 0.011 0.000 0.848 194 F CA 1.313 59.211 58.000 -0.170 0.000 1.059 194 F CB -2.149 36.738 39.000 -0.188 0.000 1.191 194 F HN 0.410 nan 8.300 nan 0.000 0.514 195 G N -0.542 108.314 108.800 0.094 0.000 2.225 195 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.267 195 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.267 195 G C 0.466 175.373 174.900 0.012 0.000 1.024 195 G CA 0.713 45.960 45.100 0.244 0.000 0.784 195 G HN 1.842 nan 8.290 nan 0.000 0.507 196 V N -4.220 115.505 119.914 -0.315 0.000 3.329 196 V HA 0.683 4.803 4.120 -0.000 0.000 0.317 196 V C 1.475 177.354 176.094 -0.358 0.000 1.495 196 V CA 0.904 63.070 62.300 -0.222 0.000 1.105 196 V CB 0.150 31.918 31.823 -0.092 0.000 0.985 196 V HN 2.143 nan 8.190 nan 0.000 0.475 197 G N 0.294 108.594 108.800 -0.833 0.000 2.273 197 G HA2 0.213 4.173 3.960 -0.000 0.000 0.280 197 G HA3 0.213 4.173 3.960 -0.000 0.000 0.280 197 G C 1.220 175.972 174.900 -0.246 0.000 1.047 197 G CA 0.471 45.272 45.100 -0.499 0.000 0.869 197 G HN 2.590 nan 8.290 nan 0.000 0.502 198 G N -1.460 107.117 108.800 -0.371 0.000 2.801 198 G HA2 0.035 3.995 3.960 -0.000 0.000 0.686 198 G HA3 0.035 3.995 3.960 -0.000 0.000 0.686 198 G C -0.212 174.668 174.900 -0.033 0.000 1.507 198 G CA -0.141 44.888 45.100 -0.118 0.000 0.980 198 G HN 1.345 nan 8.290 nan 0.000 0.589 199 I N 2.855 123.455 120.570 0.051 0.000 2.382 199 I HA 0.547 4.717 4.170 -0.000 0.000 0.285 199 I C 1.240 177.431 176.117 0.124 0.000 1.007 199 I CA 0.403 61.745 61.300 0.071 0.000 1.142 199 I CB 0.849 38.890 38.000 0.069 0.000 1.289 199 I HN 1.811 nan 8.210 nan 0.000 0.453 200 G N 4.868 113.710 108.800 0.070 0.000 2.578 200 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.275 200 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.275 200 G C 0.474 175.408 174.900 0.058 0.000 1.271 200 G CA 0.110 45.251 45.100 0.070 0.000 0.941 200 G HN 0.970 nan 8.290 nan 0.000 0.564 201 A N 0.156 123.009 122.820 0.055 0.000 2.916 201 A HA 0.565 4.885 4.320 -0.000 0.000 0.254 201 A C 2.023 179.635 177.584 0.047 0.000 1.544 201 A CA 1.469 53.520 52.037 0.023 0.000 1.224 201 A CB -0.884 18.122 19.000 0.010 0.000 1.012 201 A HN 2.126 nan 8.150 nan 0.000 0.636 202 S N 0.034 115.788 115.700 0.090 0.000 2.428 202 S HA -0.180 4.290 4.470 -0.000 0.000 0.230 202 S C 1.845 176.426 174.600 -0.031 0.000 1.014 202 S CA 1.200 59.488 58.200 0.147 0.000 0.957 202 S CB -0.222 63.132 63.200 0.258 0.000 0.784 202 S HN 0.693 nan 8.310 nan 0.000 0.499 203 K N 1.696 122.043 120.400 -0.089 0.000 2.002 203 K HA -0.122 4.198 4.320 -0.000 0.000 0.209 203 K C 2.572 179.064 176.600 -0.180 0.000 1.048 203 K CA 1.253 57.439 56.287 -0.167 0.000 0.930 203 K CB -0.356 32.005 32.500 -0.231 0.000 0.714 203 K HN 0.379 nan 8.250 nan 0.000 0.438 204 R N 0.693 121.119 120.500 -0.123 0.000 2.103 204 R HA -0.177 4.163 4.340 -0.000 0.000 0.242 204 R C 2.504 178.759 176.300 -0.076 0.000 1.142 204 R CA 1.689 57.736 56.100 -0.088 0.000 0.960 204 R CB -0.334 29.935 30.300 -0.052 0.000 0.858 204 R HN 0.322 nan 8.270 nan 0.000 0.439 205 L N 0.029 121.223 121.223 -0.048 0.000 2.027 205 L HA -0.148 4.192 4.340 -0.000 0.000 0.206 205 L C 2.208 179.036 176.870 -0.070 0.000 1.074 205 L CA 1.170 56.002 54.840 -0.014 0.000 0.745 205 L CB -0.096 42.004 42.059 0.069 0.000 0.898 205 L HN 0.026 nan 8.230 nan 0.000 0.433 206 V N -0.506 119.307 119.914 -0.169 0.000 2.453 206 V HA -0.231 3.889 4.120 -0.000 0.000 0.247 206 V C 2.351 178.151 176.094 -0.489 0.000 1.048 206 V CA 1.731 63.808 62.300 -0.371 0.000 1.049 206 V CB -0.529 30.924 31.823 -0.618 0.000 0.672 206 V HN 0.460 nan 8.190 nan 0.000 0.457 207 E N 0.086 120.036 120.200 -0.418 0.000 2.058 207 E HA -0.253 4.097 4.350 -0.000 0.000 0.194 207 E C 1.993 178.547 176.600 -0.077 0.000 0.997 207 E CA 1.601 57.796 56.400 -0.341 0.000 0.801 207 E CB -0.206 29.351 29.700 -0.238 0.000 0.746 207 E HN 0.567 nan 8.360 nan 0.000 0.450 208 D N 0.568 120.938 120.400 -0.050 0.000 2.144 208 D HA -0.140 4.500 4.640 -0.000 0.000 0.199 208 D C 1.915 178.234 176.300 0.032 0.000 0.984 208 D CA 0.524 54.532 54.000 0.015 0.000 0.834 208 D CB -0.171 40.633 40.800 0.006 0.000 0.955 208 D HN 0.046 nan 8.370 nan 0.000 0.465 209 L N -0.158 121.065 121.223 0.000 0.000 2.046 209 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 209 L C 1.863 178.822 176.870 0.148 0.000 1.077 209 L CA 1.405 56.257 54.840 0.020 0.000 0.747 209 L CB -0.508 41.516 42.059 -0.058 0.000 0.896 209 L HN -0.090 nan 8.230 nan 0.000 0.432 210 F N -0.634 119.245 119.950 -0.118 0.000 2.325 210 F HA 0.053 4.580 4.527 -0.000 0.000 0.299 210 F C 2.383 178.193 175.800 0.016 0.000 1.090 210 F CA 0.499 58.461 58.000 -0.063 0.000 1.392 210 F CB -1.301 37.689 39.000 -0.017 0.000 1.053 210 F HN 0.170 nan 8.300 nan 0.000 0.521 211 A N -0.120 122.836 122.820 0.227 0.000 1.872 211 A HA -0.138 4.182 4.320 -0.000 0.000 0.214 211 A C 2.117 179.747 177.584 0.078 0.000 1.187 211 A CA 1.374 53.507 52.037 0.160 0.000 0.614 211 A CB -0.727 18.363 19.000 0.149 0.000 0.826 211 A HN 0.307 nan 8.150 nan 0.000 0.442 212 E N -0.444 119.787 120.200 0.053 0.000 2.118 212 E HA -0.172 4.178 4.350 -0.000 0.000 0.195 212 E C 1.961 178.561 176.600 -0.001 0.000 0.992 212 E CA 1.354 57.772 56.400 0.029 0.000 0.804 212 E CB -0.091 29.624 29.700 0.026 0.000 0.741 212 E HN 0.518 nan 8.360 nan 0.000 0.458 213 R N -0.236 120.212 120.500 -0.088 0.000 2.334 213 R HA 0.126 4.466 4.340 -0.000 0.000 0.216 213 R C 0.259 176.412 176.300 -0.245 0.000 0.905 213 R CA 0.183 56.107 56.100 -0.293 0.000 1.064 213 R CB 0.271 30.156 30.300 -0.691 0.000 1.046 213 R HN 0.045 nan 8.270 nan 0.000 0.508 214 N N 0.649 119.300 118.700 -0.082 0.000 2.776 214 N HA -0.172 4.568 4.740 -0.000 0.000 0.249 214 N C -1.110 174.370 175.510 -0.049 0.000 1.111 214 N CA 0.435 53.477 53.050 -0.015 0.000 0.711 214 N CB -1.128 37.382 38.487 0.039 0.000 1.065 214 N HN 0.221 nan 8.380 nan 0.000 0.556 215 I N 0.982 121.465 120.570 -0.145 0.000 2.291 215 I HA 0.134 4.304 4.170 -0.000 0.000 0.292 215 I C 0.413 176.569 176.117 0.065 0.000 1.064 215 I CA -0.614 60.560 61.300 -0.210 0.000 1.269 215 I CB 0.365 37.904 38.000 -0.768 0.000 1.418 215 I HN 0.082 nan 8.210 nan 0.000 0.485 216 D N 7.173 127.629 120.400 0.093 0.000 2.361 216 D HA 0.211 4.851 4.640 -0.000 0.000 0.239 216 D C -0.512 175.969 176.300 0.301 0.000 1.200 216 D CA 0.408 54.472 54.000 0.107 0.000 0.915 216 D CB 0.833 41.637 40.800 0.006 0.000 1.170 216 D HN 0.479 nan 8.370 nan 0.000 0.444 217 W N -0.513 120.880 121.300 0.155 0.000 3.213 217 W HA 0.592 5.252 4.660 -0.000 0.000 0.318 217 W C -1.855 174.715 176.519 0.085 0.000 1.248 217 W CA -0.963 56.505 57.345 0.205 0.000 1.187 217 W CB 0.167 29.840 29.460 0.355 0.000 1.403 217 W HN 0.103 nan 8.180 nan 0.000 0.556 218 I N 2.570 123.312 120.570 0.286 0.000 2.468 218 I HA 0.579 4.749 4.170 -0.000 0.000 0.285 218 I C 0.136 176.368 176.117 0.192 0.000 1.039 218 I CA -0.626 60.722 61.300 0.079 0.000 1.074 218 I CB 1.634 39.467 38.000 -0.279 0.000 1.228 218 I HN 0.573 nan 8.210 nan 0.000 0.436 219 A N 4.001 126.999 122.820 0.295 0.000 2.288 219 A HA 0.670 4.990 4.320 -0.000 0.000 0.328 219 A C 0.563 178.205 177.584 0.097 0.000 1.123 219 A CA -0.450 51.709 52.037 0.203 0.000 0.861 219 A CB 0.667 19.816 19.000 0.248 0.000 1.272 219 A HN 0.815 nan 8.150 nan 0.000 0.490 220 N N -2.211 116.510 118.700 0.035 0.000 2.735 220 N HA -0.159 4.581 4.740 -0.000 0.000 0.248 220 N C -0.418 175.120 175.510 0.047 0.000 1.083 220 N CA 1.168 54.229 53.050 0.019 0.000 0.703 220 N CB -1.561 36.951 38.487 0.041 0.000 1.005 220 N HN 1.565 nan 8.380 nan 0.000 0.550 221 V N -4.104 115.838 119.914 0.046 0.000 3.102 221 V HA 0.994 5.114 4.120 -0.000 0.000 0.312 221 V C -0.030 176.115 176.094 0.085 0.000 1.135 221 V CA -0.651 61.707 62.300 0.098 0.000 1.022 221 V CB 2.170 34.071 31.823 0.129 0.000 1.056 221 V HN 0.285 nan 8.190 nan 0.000 0.436 222 A N 1.803 124.695 122.820 0.121 0.000 2.277 222 A HA 0.742 5.062 4.320 -0.000 0.000 0.318 222 A C -0.356 177.279 177.584 0.085 0.000 1.339 222 A CA -0.592 51.490 52.037 0.076 0.000 0.875 222 A CB 0.707 19.738 19.000 0.051 0.000 1.158 222 A HN 1.220 nan 8.150 nan 0.000 0.514 223 V N 4.407 124.339 119.914 0.030 0.000 2.485 223 V HA 0.068 4.188 4.120 -0.000 0.000 0.287 223 V C 0.797 176.846 176.094 -0.075 0.000 1.022 223 V CA 0.493 62.766 62.300 -0.044 0.000 1.067 223 V CB 0.613 32.296 31.823 -0.232 0.000 0.967 223 V HN 0.967 nan 8.190 nan 0.000 0.479 224 K N 3.333 123.696 120.400 -0.062 0.000 2.424 224 K HA 0.442 4.762 4.320 -0.000 0.000 0.198 224 K C 0.419 176.965 176.600 -0.089 0.000 1.190 224 K CA 0.640 56.889 56.287 -0.063 0.000 0.935 224 K CB 1.105 33.583 32.500 -0.037 0.000 1.087 224 K HN 0.650 nan 8.250 nan 0.000 0.524 225 A N 1.674 124.432 122.820 -0.104 0.000 2.454 225 A HA 0.721 5.041 4.320 -0.000 0.000 0.302 225 A C -1.012 176.477 177.584 -0.158 0.000 1.079 225 A CA -0.650 51.320 52.037 -0.112 0.000 0.731 225 A CB 1.345 20.299 19.000 -0.077 0.000 1.299 225 A HN 0.088 nan 8.150 nan 0.000 0.413 226 I N 2.127 122.605 120.570 -0.153 0.000 2.521 226 I HA 0.280 4.450 4.170 -0.000 0.000 0.277 226 I C -0.154 175.903 176.117 -0.100 0.000 1.054 226 I CA 0.010 61.219 61.300 -0.152 0.000 1.117 226 I CB 0.673 38.553 38.000 -0.200 0.000 1.217 226 I HN 0.778 nan 8.210 nan 0.000 0.469 227 E N 6.072 126.230 120.200 -0.069 0.000 2.292 227 E HA 0.315 4.665 4.350 -0.000 0.000 0.258 227 E C -1.553 175.020 176.600 -0.044 0.000 1.115 227 E CA -1.556 54.812 56.400 -0.053 0.000 0.929 227 E CB 1.163 30.838 29.700 -0.040 0.000 1.161 227 E HN 0.231 nan 8.360 nan 0.000 0.453 228 P HA -0.162 nan 4.420 nan 0.000 0.219 228 P C 0.211 177.503 177.300 -0.012 0.000 1.146 228 P CA 1.382 64.465 63.100 -0.029 0.000 0.808 228 P CB 0.139 31.825 31.700 -0.024 0.000 0.779 229 D N -2.057 118.339 120.400 -0.007 0.000 2.503 229 D HA 0.074 4.714 4.640 -0.000 0.000 0.218 229 D C 0.308 176.618 176.300 0.015 0.000 1.183 229 D CA -0.054 53.951 54.000 0.008 0.000 0.827 229 D CB 0.103 40.906 40.800 0.005 0.000 1.034 229 D HN 0.237 nan 8.370 nan 0.000 0.510 230 K N -1.153 119.253 120.400 0.010 0.000 2.642 230 K HA 0.494 4.814 4.320 -0.000 0.000 0.290 230 K C -1.881 174.727 176.600 0.014 0.000 1.006 230 K CA -0.933 55.367 56.287 0.023 0.000 0.869 230 K CB 1.365 33.877 32.500 0.020 0.000 1.499 230 K HN -0.166 nan 8.250 nan 0.000 0.403 231 V N 1.993 121.934 119.914 0.046 0.000 2.448 231 V HA 0.462 4.582 4.120 -0.000 0.000 0.295 231 V C -0.361 175.775 176.094 0.071 0.000 1.025 231 V CA -0.780 61.539 62.300 0.033 0.000 0.859 231 V CB 1.282 33.154 31.823 0.082 0.000 0.988 231 V HN 0.619 nan 8.190 nan 0.000 0.431 232 I N 6.131 126.710 120.570 0.015 0.000 2.330 232 I HA 0.480 4.650 4.170 -0.000 0.000 0.289 232 I C -0.445 175.710 176.117 0.062 0.000 1.001 232 I CA -0.481 60.824 61.300 0.007 0.000 1.193 232 I CB 0.896 38.867 38.000 -0.048 0.000 1.345 232 I HN 0.760 nan 8.210 nan 0.000 0.461 233 Y N 3.636 123.941 120.300 0.008 0.000 2.621 233 Y HA 0.801 5.351 4.550 -0.000 0.000 0.334 233 Y C -0.692 175.239 175.900 0.051 0.000 1.074 233 Y CA -1.407 56.702 58.100 0.015 0.000 1.149 233 Y CB 1.051 39.531 38.460 0.033 0.000 1.302 233 Y HN 0.499 nan 8.280 nan 0.000 0.501 234 E N 1.296 121.606 120.200 0.184 0.000 2.256 234 E HA 0.293 4.643 4.350 -0.000 0.000 0.268 234 E C -1.640 175.080 176.600 0.201 0.000 0.877 234 E CA -0.840 55.614 56.400 0.091 0.000 0.757 234 E CB 1.441 31.164 29.700 0.038 0.000 1.183 234 E HN 0.797 nan 8.360 nan 0.000 0.418 235 D N 2.863 123.374 120.400 0.185 0.000 2.511 235 D HA 0.105 4.745 4.640 -0.000 0.000 0.276 235 D C 1.085 177.449 176.300 0.105 0.000 1.220 235 D CA -0.445 53.667 54.000 0.188 0.000 1.077 235 D CB 0.490 41.422 40.800 0.220 0.000 1.126 235 D HN 0.467 nan 8.370 nan 0.000 0.583 236 L N -0.839 120.437 121.223 0.088 0.000 2.291 236 L HA 0.009 4.349 4.340 -0.000 0.000 0.214 236 L C 1.363 178.258 176.870 0.043 0.000 1.120 236 L CA 0.811 55.685 54.840 0.056 0.000 0.799 236 L CB -0.715 41.373 42.059 0.049 0.000 0.925 236 L HN 0.398 nan 8.230 nan 0.000 0.446 237 N N -0.037 118.693 118.700 0.049 0.000 2.449 237 N HA 0.019 4.759 4.740 -0.000 0.000 0.191 237 N C 1.281 176.801 175.510 0.016 0.000 1.161 237 N CA 0.443 53.512 53.050 0.031 0.000 0.863 237 N CB 0.265 38.773 38.487 0.035 0.000 0.980 237 N HN 0.396 nan 8.380 nan 0.000 0.458 238 G N 1.040 109.852 108.800 0.020 0.000 2.175 238 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.265 238 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.265 238 G C -0.158 174.726 174.900 -0.027 0.000 0.979 238 G CA -0.159 44.941 45.100 0.000 0.000 0.663 238 G HN 0.409 nan 8.290 nan 0.000 0.533 239 N N 0.695 119.378 118.700 -0.029 0.000 2.497 239 N HA 0.331 5.071 4.740 -0.000 0.000 0.271 239 N C -0.159 175.236 175.510 -0.192 0.000 1.142 239 N CA 0.764 53.748 53.050 -0.109 0.000 0.965 239 N CB 1.010 39.438 38.487 -0.099 0.000 1.077 239 N HN 0.207 nan 8.380 nan 0.000 0.462 240 T N 2.115 116.495 114.554 -0.288 0.000 2.749 240 T HA 0.261 4.611 4.350 -0.000 0.000 0.287 240 T C -0.697 173.709 174.700 -0.490 0.000 0.970 240 T CA -0.338 61.583 62.100 -0.298 0.000 0.980 240 T CB 0.076 68.834 68.868 -0.183 0.000 0.924 240 T HN 0.432 nan 8.240 nan 0.000 0.456 241 H N 2.260 121.047 119.070 -0.471 0.000 2.676 241 H HA 0.706 5.262 4.556 -0.000 0.000 0.352 241 H C -0.292 174.756 175.328 -0.468 0.000 1.193 241 H CA -0.819 54.882 56.048 -0.578 0.000 1.243 241 H CB 1.492 30.647 29.762 -1.011 0.000 1.751 241 H HN 0.613 nan 8.280 nan 0.000 0.567 242 E N 1.056 121.204 120.200 -0.086 0.000 2.314 242 E HA 0.505 4.855 4.350 -0.000 0.000 0.272 242 E C -1.723 174.947 176.600 0.117 0.000 0.884 242 E CA -0.992 55.416 56.400 0.012 0.000 0.753 242 E CB 2.084 31.779 29.700 -0.008 0.000 1.213 242 E HN 0.402 nan 8.360 nan 0.000 0.432 243 V N 0.708 120.711 119.914 0.148 0.000 2.808 243 V HA 0.633 4.753 4.120 -0.000 0.000 0.308 243 V C -2.733 173.419 176.094 0.097 0.000 1.099 243 V CA -2.219 60.165 62.300 0.139 0.000 0.920 243 V CB 1.351 33.284 31.823 0.183 0.000 1.014 243 V HN 0.551 nan 8.190 nan 0.000 0.425 244 P HA 0.499 nan 4.420 nan 0.000 0.269 244 P C -0.460 176.882 177.300 0.070 0.000 1.209 244 P CA 0.226 63.361 63.100 0.058 0.000 0.776 244 P CB 1.396 33.123 31.700 0.046 0.000 0.876 245 A N 2.152 125.010 122.820 0.063 0.000 2.509 245 A HA 0.338 4.658 4.320 -0.000 0.000 0.282 245 A C 0.724 178.351 177.584 0.072 0.000 1.054 245 A CA -0.518 51.566 52.037 0.078 0.000 0.820 245 A CB 1.121 20.172 19.000 0.085 0.000 1.333 245 A HN 0.408 nan 8.150 nan 0.000 0.409 246 K N 1.877 122.334 120.400 0.095 0.000 2.167 246 K HA 0.235 4.555 4.320 -0.000 0.000 0.203 246 K C -0.110 176.595 176.600 0.174 0.000 1.052 246 K CA 1.372 57.722 56.287 0.105 0.000 0.956 246 K CB 0.040 32.596 32.500 0.092 0.000 0.735 246 K HN 0.635 nan 8.250 nan 0.000 0.451 247 F N 0.418 120.381 119.950 0.021 0.000 2.581 247 F HA 0.414 4.941 4.527 -0.000 0.000 0.311 247 F C -1.093 174.741 175.800 0.055 0.000 1.113 247 F CA -0.507 57.507 58.000 0.023 0.000 0.935 247 F CB 1.705 40.708 39.000 0.006 0.000 1.232 247 F HN 0.030 nan 8.300 nan 0.000 0.445 248 T N 3.879 118.027 114.554 -0.677 0.000 2.901 248 T HA 0.697 5.047 4.350 -0.000 0.000 0.293 248 T C -1.242 173.032 174.700 -0.710 0.000 1.084 248 T CA -0.852 60.996 62.100 -0.420 0.000 1.008 248 T CB 1.988 70.865 68.868 0.016 0.000 1.170 248 T HN 0.713 nan 8.240 nan 0.000 0.509 249 M N 2.384 121.750 119.600 -0.390 0.000 2.272 249 M HA 0.494 4.973 4.480 -0.000 0.000 0.240 249 M C -2.558 173.484 176.300 -0.431 0.000 0.991 249 M CA -0.722 54.354 55.300 -0.375 0.000 1.008 249 M CB 0.868 33.226 32.600 -0.404 0.000 2.221 249 M HN 0.838 nan 8.290 nan 0.000 0.469 250 F N 3.729 123.556 119.950 -0.204 0.000 2.546 250 F HA 0.608 5.135 4.527 -0.000 0.000 0.320 250 F C 0.448 176.177 175.800 -0.118 0.000 1.076 250 F CA -0.709 57.195 58.000 -0.160 0.000 0.928 250 F CB 1.839 40.761 39.000 -0.130 0.000 1.189 250 F HN 0.381 nan 8.300 nan 0.000 0.465 251 M N 4.831 124.440 119.600 0.015 0.000 2.200 251 M HA 0.227 4.707 4.480 -0.000 0.000 0.355 251 M C -2.351 173.911 176.300 -0.065 0.000 1.283 251 M CA -1.868 53.396 55.300 -0.060 0.000 1.124 251 M CB 0.321 32.808 32.600 -0.189 0.000 1.625 251 M HN 0.202 nan 8.290 nan 0.000 0.463 252 P HA 0.192 nan 4.420 nan 0.000 0.278 252 P C -0.481 176.616 177.300 -0.337 0.000 1.258 252 P CA -0.426 62.520 63.100 -0.256 0.000 0.811 252 P CB 0.568 31.915 31.700 -0.589 0.000 1.063 253 S N 0.271 115.794 115.700 -0.296 0.000 2.645 253 S HA 0.507 4.977 4.470 -0.000 0.000 0.266 253 S C -0.339 174.179 174.600 -0.135 0.000 1.258 253 S CA -0.356 57.640 58.200 -0.340 0.000 0.990 253 S CB -0.137 62.947 63.200 -0.193 0.000 0.967 253 S HN 0.191 nan 8.310 nan 0.000 0.556 254 F N 0.981 120.857 119.950 -0.123 0.000 2.458 254 F HA 0.614 5.141 4.527 -0.000 0.000 0.330 254 F C 0.548 176.307 175.800 -0.069 0.000 1.082 254 F CA -1.096 56.844 58.000 -0.100 0.000 0.995 254 F CB 1.523 40.479 39.000 -0.074 0.000 1.170 254 F HN 0.873 nan 8.300 nan 0.000 0.478 255 Q N 0.487 120.373 119.800 0.143 0.000 2.553 255 Q HA 0.769 5.109 4.340 -0.000 0.000 0.293 255 Q C -0.685 175.335 176.000 0.034 0.000 1.038 255 Q CA -1.299 54.546 55.803 0.069 0.000 0.777 255 Q CB 2.075 30.834 28.738 0.036 0.000 1.487 255 Q HN 0.789 nan 8.270 nan 0.000 0.426 256 G N 1.454 110.269 108.800 0.024 0.000 2.503 256 G HA2 0.468 4.428 3.960 -0.000 0.000 0.257 256 G HA3 0.468 4.428 3.960 -0.000 0.000 0.257 256 G C -2.260 172.639 174.900 -0.001 0.000 1.214 256 G CA -0.967 44.138 45.100 0.008 0.000 0.839 256 G HN 0.579 nan 8.290 nan 0.000 0.559 257 P HA 0.162 nan 4.420 nan 0.000 0.275 257 P C 0.379 177.675 177.300 -0.006 0.000 1.266 257 P CA -0.311 62.782 63.100 -0.011 0.000 0.793 257 P CB 1.402 33.090 31.700 -0.019 0.000 1.074 258 E N -0.067 120.130 120.200 -0.005 0.000 2.107 258 E HA -0.082 4.268 4.350 -0.000 0.000 0.191 258 E C 1.830 178.426 176.600 -0.007 0.000 0.982 258 E CA 0.685 57.083 56.400 -0.003 0.000 0.809 258 E CB -1.008 28.691 29.700 -0.001 0.000 0.756 258 E HN 0.189 nan 8.360 nan 0.000 0.459 259 V N 1.051 120.959 119.914 -0.010 0.000 2.453 259 V HA -0.228 3.892 4.120 -0.000 0.000 0.252 259 V C 2.169 178.253 176.094 -0.016 0.000 1.068 259 V CA 1.469 63.761 62.300 -0.013 0.000 1.070 259 V CB -0.188 31.626 31.823 -0.016 0.000 0.664 259 V HN 0.037 nan 8.190 nan 0.000 0.461 260 V N 0.300 120.206 119.914 -0.014 0.000 2.407 260 V HA -0.080 4.040 4.120 -0.000 0.000 0.245 260 V C 2.816 178.904 176.094 -0.010 0.000 1.041 260 V CA 1.778 64.070 62.300 -0.013 0.000 1.040 260 V CB -1.102 30.717 31.823 -0.006 0.000 0.671 260 V HN 0.636 nan 8.190 nan 0.000 0.455 261 A N 0.916 123.732 122.820 -0.005 0.000 2.019 261 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 261 A C 2.459 180.041 177.584 -0.005 0.000 1.164 261 A CA 2.038 54.074 52.037 -0.002 0.000 0.644 261 A CB -0.656 18.345 19.000 0.001 0.000 0.805 261 A HN 0.693 nan 8.150 nan 0.000 0.449 262 S N -0.325 115.370 115.700 -0.009 0.000 2.474 262 S HA 0.367 4.837 4.470 -0.000 0.000 0.235 262 S C 1.088 175.676 174.600 -0.020 0.000 0.997 262 S CA 0.503 58.697 58.200 -0.011 0.000 0.949 262 S CB -0.629 62.564 63.200 -0.011 0.000 0.766 262 S HN 0.865 nan 8.310 nan 0.000 0.517 263 A N 1.476 124.279 122.820 -0.029 0.000 2.249 263 A HA 0.709 5.029 4.320 -0.000 0.000 0.281 263 A C 1.016 178.590 177.584 -0.018 0.000 1.127 263 A CA -0.229 51.777 52.037 -0.051 0.000 0.833 263 A CB -0.689 18.258 19.000 -0.087 0.000 1.140 263 A HN 0.538 nan 8.150 nan 0.000 0.502 264 G N -0.831 107.968 108.800 -0.001 0.000 2.744 264 G HA2 0.273 4.233 3.960 -0.000 0.000 0.257 264 G HA3 0.273 4.233 3.960 -0.000 0.000 0.257 264 G C 0.088 175.014 174.900 0.044 0.000 1.244 264 G CA 0.468 45.597 45.100 0.047 0.000 0.916 264 G HN 0.804 nan 8.290 nan 0.000 0.564 265 D N -1.156 119.272 120.400 0.046 0.000 2.325 265 D HA 0.052 4.692 4.640 -0.000 0.000 0.234 265 D C 1.318 177.646 176.300 0.047 0.000 1.122 265 D CA 0.096 54.118 54.000 0.036 0.000 0.850 265 D CB 0.414 41.229 40.800 0.025 0.000 0.921 265 D HN 0.160 nan 8.370 nan 0.000 0.513 266 K N 0.009 120.458 120.400 0.082 0.000 2.356 266 K HA 0.136 4.456 4.320 -0.000 0.000 0.195 266 K C 1.553 178.219 176.600 0.109 0.000 1.037 266 K CA 0.209 56.557 56.287 0.102 0.000 1.014 266 K CB 0.654 33.252 32.500 0.163 0.000 0.815 266 K HN 0.178 nan 8.250 nan 0.000 0.507 267 V N 0.221 120.189 119.914 0.089 0.000 2.908 267 V HA 0.230 4.350 4.120 -0.000 0.000 0.240 267 V C 0.721 176.831 176.094 0.026 0.000 1.117 267 V CA 0.382 62.714 62.300 0.054 0.000 1.133 267 V CB 0.232 32.064 31.823 0.015 0.000 0.857 267 V HN 0.066 nan 8.190 nan 0.000 0.478 268 A N 1.497 124.330 122.820 0.021 0.000 2.260 268 A HA 0.454 4.774 4.320 -0.000 0.000 0.308 268 A C 0.027 177.621 177.584 0.016 0.000 1.254 268 A CA -0.283 51.763 52.037 0.015 0.000 0.874 268 A CB 0.018 19.024 19.000 0.010 0.000 1.153 268 A HN 0.294 nan 8.150 nan 0.000 0.527 269 N N 3.860 122.569 118.700 0.014 0.000 2.440 269 N HA 0.044 4.784 4.740 -0.000 0.000 0.265 269 N C -1.357 174.161 175.510 0.013 0.000 1.239 269 N CA -1.480 51.578 53.050 0.012 0.000 0.909 269 N CB 1.085 39.579 38.487 0.012 0.000 1.066 269 N HN 0.360 nan 8.380 nan 0.000 0.474 270 P HA -0.119 nan 4.420 nan 0.000 0.219 270 P C 0.599 177.905 177.300 0.010 0.000 1.146 270 P CA 1.045 64.151 63.100 0.011 0.000 0.808 270 P CB 0.211 31.916 31.700 0.009 0.000 0.779 271 A N 0.670 123.497 122.820 0.011 0.000 1.970 271 A HA -0.098 4.222 4.320 -0.000 0.000 0.216 271 A C 1.608 179.201 177.584 0.014 0.000 1.170 271 A CA 1.612 53.656 52.037 0.011 0.000 0.645 271 A CB -0.806 18.201 19.000 0.011 0.000 0.816 271 A HN 0.384 nan 8.150 nan 0.000 0.447 272 N N -3.260 115.450 118.700 0.017 0.000 2.082 272 N HA 0.095 4.835 4.740 -0.000 0.000 0.228 272 N C 0.191 175.715 175.510 0.024 0.000 1.341 272 N CA 0.377 53.441 53.050 0.023 0.000 0.873 272 N CB 0.034 38.540 38.487 0.032 0.000 1.137 272 N HN 0.302 nan 8.380 nan 0.000 0.505 273 K N -0.502 119.909 120.400 0.018 0.000 3.426 273 K HA -0.193 4.127 4.320 -0.000 0.000 0.315 273 K C -0.424 176.186 176.600 0.017 0.000 1.293 273 K CA 1.021 57.318 56.287 0.015 0.000 0.955 273 K CB -1.387 31.120 32.500 0.012 0.000 1.238 273 K HN 0.408 nan 8.250 nan 0.000 0.441 274 M N 0.876 120.491 119.600 0.024 0.000 2.247 274 M HA 0.146 4.626 4.480 -0.000 0.000 0.326 274 M C 0.688 177.003 176.300 0.025 0.000 1.134 274 M CA -0.371 54.946 55.300 0.030 0.000 1.136 274 M CB 0.923 33.549 32.600 0.045 0.000 1.454 274 M HN -0.197 nan 8.290 nan 0.000 0.467 275 V N 3.147 123.079 119.914 0.030 0.000 2.521 275 V HA 0.097 4.217 4.120 -0.000 0.000 0.286 275 V C 0.261 176.362 176.094 0.012 0.000 1.034 275 V CA -0.149 62.166 62.300 0.026 0.000 1.045 275 V CB -0.015 31.833 31.823 0.040 0.000 0.974 275 V HN 0.566 nan 8.190 nan 0.000 0.480 276 I N 6.409 126.980 120.570 0.002 0.000 2.533 276 I HA 0.327 4.497 4.170 -0.000 0.000 0.284 276 I C 0.115 176.205 176.117 -0.044 0.000 1.109 276 I CA 0.420 61.708 61.300 -0.021 0.000 1.412 276 I CB 0.784 38.779 38.000 -0.008 0.000 1.396 276 I HN 0.587 nan 8.210 nan 0.000 0.543 277 V N 2.798 122.650 119.914 -0.102 0.000 3.114 277 V HA 0.641 4.761 4.120 -0.000 0.000 0.308 277 V C -0.703 175.269 176.094 -0.203 0.000 1.168 277 V CA -0.971 61.236 62.300 -0.155 0.000 1.015 277 V CB 1.886 33.576 31.823 -0.222 0.000 1.050 277 V HN 0.795 nan 8.190 nan 0.000 0.433 278 N N 1.799 120.396 118.700 -0.173 0.000 2.593 278 N HA 0.421 5.161 4.740 -0.000 0.000 0.304 278 N C 0.758 176.156 175.510 -0.186 0.000 1.296 278 N CA -0.464 52.500 53.050 -0.143 0.000 0.950 278 N CB 0.116 38.562 38.487 -0.069 0.000 1.127 278 N HN 0.657 nan 8.380 nan 0.000 0.587 279 R N -1.265 119.190 120.500 -0.074 0.000 2.200 279 R HA -0.007 4.333 4.340 -0.000 0.000 0.234 279 R C 0.371 176.748 176.300 0.128 0.000 1.127 279 R CA 1.263 57.363 56.100 0.001 0.000 0.989 279 R CB -0.603 29.723 30.300 0.043 0.000 0.869 279 R HN 0.517 nan 8.270 nan 0.000 0.459 280 c N 0.079 118.762 118.600 0.138 0.000 2.589 280 c HA 0.258 4.827 4.570 -0.000 0.000 0.307 280 c C -0.195 174.150 174.090 0.425 0.000 1.328 280 c CA -0.853 55.648 56.329 0.288 0.000 1.742 280 c CB -1.564 41.086 42.510 0.233 0.000 2.037 280 c HN 0.500 nan 8.230 nan 0.000 0.592 281 F N 1.185 121.229 119.950 0.156 0.000 3.056 281 F HA -0.226 4.301 4.527 -0.000 0.000 0.266 281 F C 0.708 176.639 175.800 0.219 0.000 0.957 281 F CA 1.370 59.473 58.000 0.172 0.000 0.894 281 F CB -1.364 37.741 39.000 0.174 0.000 0.832 281 F HN 0.527 nan 8.300 nan 0.000 0.745 282 Q N 0.391 120.256 119.800 0.109 0.000 2.377 282 Q HA 0.401 4.741 4.340 -0.000 0.000 0.271 282 Q C -0.263 175.630 176.000 -0.178 0.000 1.077 282 Q CA -1.081 54.582 55.803 -0.233 0.000 0.820 282 Q CB 1.722 30.264 28.738 -0.327 0.000 1.347 282 Q HN 0.244 nan 8.270 nan 0.000 0.444 283 N N 3.186 121.762 118.700 -0.207 0.000 2.513 283 N HA 0.112 4.852 4.740 -0.000 0.000 0.268 283 N C -1.996 173.460 175.510 -0.090 0.000 1.180 283 N CA -1.079 51.915 53.050 -0.092 0.000 0.948 283 N CB 1.167 39.646 38.487 -0.014 0.000 1.083 283 N HN 0.380 nan 8.380 nan 0.000 0.455 284 P HA -0.063 nan 4.420 nan 0.000 0.216 284 P C 0.632 177.882 177.300 -0.083 0.000 1.153 284 P CA 1.264 64.325 63.100 -0.065 0.000 0.844 284 P CB 0.238 31.906 31.700 -0.054 0.000 0.787 285 T N -1.664 112.836 114.554 -0.089 0.000 2.671 285 T HA -0.065 4.285 4.350 -0.000 0.000 0.250 285 T C 0.321 174.846 174.700 -0.292 0.000 1.068 285 T CA 1.094 63.064 62.100 -0.216 0.000 1.177 285 T CB -0.980 67.729 68.868 -0.266 0.000 0.876 285 T HN -0.033 nan 8.240 nan 0.000 0.405 286 Y N 2.672 122.946 120.300 -0.043 0.000 2.627 286 Y HA 0.265 4.815 4.550 -0.000 0.000 0.347 286 Y C 1.442 177.295 175.900 -0.077 0.000 1.099 286 Y CA -0.617 57.462 58.100 -0.035 0.000 1.408 286 Y CB 0.108 38.567 38.460 -0.001 0.000 1.247 286 Y HN 0.099 nan 8.280 nan 0.000 0.506 287 K N 1.212 121.614 120.400 0.004 0.000 2.360 287 K HA -0.141 4.179 4.320 -0.000 0.000 0.201 287 K C 1.042 177.588 176.600 -0.089 0.000 1.046 287 K CA 1.005 57.253 56.287 -0.066 0.000 0.945 287 K CB 0.081 32.568 32.500 -0.021 0.000 0.750 287 K HN 0.633 nan 8.250 nan 0.000 0.464 288 N N 0.899 119.624 118.700 0.041 0.000 2.270 288 N HA 0.008 4.748 4.740 -0.000 0.000 0.198 288 N C 0.132 175.772 175.510 0.216 0.000 1.117 288 N CA -0.005 53.157 53.050 0.186 0.000 0.845 288 N CB 0.114 38.634 38.487 0.054 0.000 0.980 288 N HN 0.085 nan 8.380 nan 0.000 0.486 289 I N 1.058 121.628 120.570 0.001 0.000 2.336 289 I HA 0.328 4.498 4.170 -0.000 0.000 0.292 289 I C -0.814 175.186 176.117 -0.195 0.000 0.991 289 I CA -0.733 60.567 61.300 0.001 0.000 1.227 289 I CB 0.656 38.664 38.000 0.014 0.000 1.366 289 I HN -0.212 nan 8.210 nan 0.000 0.466 290 F N 3.186 123.185 119.950 0.081 0.000 2.546 290 F HA 0.684 5.211 4.527 -0.000 0.000 0.320 290 F C 0.628 176.481 175.800 0.088 0.000 1.076 290 F CA -0.741 57.324 58.000 0.108 0.000 0.928 290 F CB 2.097 41.170 39.000 0.121 0.000 1.189 290 F HN 0.342 nan 8.300 nan 0.000 0.465 291 G N 1.068 110.056 108.800 0.314 0.000 2.461 291 G HA2 0.632 4.592 3.960 -0.000 0.000 0.323 291 G HA3 0.632 4.592 3.960 -0.000 0.000 0.323 291 G C -1.939 173.141 174.900 0.301 0.000 1.229 291 G CA -0.761 44.485 45.100 0.243 0.000 0.941 291 G HN 0.494 nan 8.290 nan 0.000 0.477 292 V N 1.694 121.713 119.914 0.176 0.000 2.577 292 V HA 0.904 5.024 4.120 -0.000 0.000 0.303 292 V C 0.782 176.914 176.094 0.062 0.000 1.042 292 V CA 0.785 63.142 62.300 0.094 0.000 0.872 292 V CB 0.771 32.612 31.823 0.031 0.000 0.998 292 V HN 1.843 nan 8.190 nan 0.000 0.423 293 G N 3.714 112.538 108.800 0.040 0.000 2.418 293 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.206 293 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.206 293 G C 0.457 175.391 174.900 0.056 0.000 1.202 293 G CA -0.116 44.998 45.100 0.024 0.000 1.061 293 G HN 0.798 nan 8.290 nan 0.000 0.563 294 V N 0.497 120.419 119.914 0.014 0.000 2.626 294 V HA -0.057 4.063 4.120 -0.000 0.000 0.252 294 V C 2.893 179.003 176.094 0.026 0.000 1.067 294 V CA 2.115 64.420 62.300 0.009 0.000 1.081 294 V CB -0.056 31.701 31.823 -0.111 0.000 0.686 294 V HN 0.940 nan 8.190 nan 0.000 0.468 295 V N 0.974 120.898 119.914 0.017 0.000 2.913 295 V HA -0.074 4.046 4.120 -0.000 0.000 0.260 295 V C 1.492 177.628 176.094 0.070 0.000 1.098 295 V CA 1.553 63.869 62.300 0.026 0.000 1.121 295 V CB -0.578 31.253 31.823 0.013 0.000 0.714 295 V HN 0.800 nan 8.190 nan 0.000 0.487 296 T N 0.304 114.930 114.554 0.120 0.000 2.884 296 T HA 0.548 4.898 4.350 -0.000 0.000 0.298 296 T C 0.025 174.791 174.700 0.109 0.000 0.998 296 T CA -0.034 62.156 62.100 0.150 0.000 1.124 296 T CB 1.340 70.400 68.868 0.321 0.000 0.931 296 T HN 0.507 nan 8.240 nan 0.000 0.531 297 A N 4.825 127.676 122.820 0.052 0.000 2.376 297 A HA 0.570 4.890 4.320 -0.000 0.000 0.298 297 A C 0.220 177.812 177.584 0.013 0.000 1.271 297 A CA -0.765 51.292 52.037 0.033 0.000 0.926 297 A CB -0.568 18.439 19.000 0.012 0.000 1.141 297 A HN 0.904 nan 8.150 nan 0.000 0.539 298 I N 4.348 124.947 120.570 0.049 0.000 2.406 298 I HA 0.303 4.473 4.170 -0.000 0.000 0.290 298 I C -2.225 173.919 176.117 0.044 0.000 0.999 298 I CA -2.199 59.127 61.300 0.043 0.000 1.124 298 I CB 2.083 40.145 38.000 0.102 0.000 1.289 298 I HN 0.420 nan 8.210 nan 0.000 0.441 299 P HA 0.197 nan 4.420 nan 0.000 0.269 299 P C -2.484 174.842 177.300 0.044 0.000 1.209 299 P CA -0.966 62.152 63.100 0.029 0.000 0.776 299 P CB -0.343 31.368 31.700 0.017 0.000 0.876 300 P HA 0.060 nan 4.420 nan 0.000 0.264 300 P C 0.904 178.236 177.300 0.053 0.000 1.183 300 P CA 0.266 63.401 63.100 0.060 0.000 0.763 300 P CB 0.263 31.996 31.700 0.056 0.000 0.807 301 I N 1.296 121.901 120.570 0.059 0.000 2.286 301 I HA -0.187 3.983 4.170 -0.000 0.000 0.248 301 I C 1.205 177.351 176.117 0.048 0.000 1.115 301 I CA 1.618 62.944 61.300 0.044 0.000 1.392 301 I CB -0.172 37.844 38.000 0.027 0.000 1.065 301 I HN 0.521 nan 8.210 nan 0.000 0.418 302 E N -0.103 120.138 120.200 0.068 0.000 2.366 302 E HA 0.272 4.622 4.350 -0.000 0.000 0.278 302 E C -0.699 175.933 176.600 0.053 0.000 0.923 302 E CA -0.980 55.458 56.400 0.064 0.000 0.761 302 E CB 1.148 30.900 29.700 0.087 0.000 1.231 302 E HN -0.121 nan 8.360 nan 0.000 0.443 303 K N 2.517 122.938 120.400 0.035 0.000 2.262 303 K HA 0.118 4.438 4.320 -0.000 0.000 0.288 303 K C -0.587 176.016 176.600 0.005 0.000 1.090 303 K CA -0.072 56.227 56.287 0.020 0.000 0.918 303 K CB 0.182 32.692 32.500 0.017 0.000 1.139 303 K HN 0.669 nan 8.250 nan 0.000 0.462 304 T N 2.131 116.674 114.554 -0.019 0.000 2.909 304 T HA 0.205 4.554 4.350 -0.000 0.000 0.289 304 T C -1.755 172.917 174.700 -0.046 0.000 1.005 304 T CA -1.826 60.233 62.100 -0.068 0.000 1.084 304 T CB 1.230 69.990 68.868 -0.181 0.000 0.975 304 T HN 0.301 nan 8.240 nan 0.000 0.509 305 P HA -0.066 nan 4.420 nan 0.000 0.217 305 P C 0.296 177.588 177.300 -0.015 0.000 1.158 305 P CA 1.052 64.141 63.100 -0.018 0.000 0.887 305 P CB -0.008 31.684 31.700 -0.013 0.000 0.792 306 I N 0.287 120.840 120.570 -0.029 0.000 2.315 306 I HA 0.211 4.381 4.170 -0.000 0.000 0.291 306 I C -2.233 173.874 176.117 -0.018 0.000 1.006 306 I CA -3.668 57.624 61.300 -0.014 0.000 1.265 306 I CB 0.459 38.456 38.000 -0.004 0.000 1.387 306 I HN -0.154 nan 8.210 nan 0.000 0.475 307 P HA 0.027 nan 4.420 nan 0.000 0.263 307 P C -0.166 177.153 177.300 0.031 0.000 1.175 307 P CA 0.436 63.541 63.100 0.008 0.000 0.761 307 P CB 0.276 31.980 31.700 0.008 0.000 0.794 308 T N -0.297 114.287 114.554 0.051 0.000 2.868 308 T HA 0.732 5.082 4.350 -0.000 0.000 0.306 308 T C -0.173 174.601 174.700 0.124 0.000 1.224 308 T CA -0.807 61.374 62.100 0.135 0.000 1.012 308 T CB 1.903 70.875 68.868 0.174 0.000 1.221 308 T HN 0.415 nan 8.240 nan 0.000 0.499 309 G N -0.420 108.470 108.800 0.149 0.000 2.735 309 G HA2 0.661 4.621 3.960 -0.000 0.000 0.301 309 G HA3 0.661 4.621 3.960 -0.000 0.000 0.301 309 G C -0.876 174.122 174.900 0.163 0.000 1.279 309 G CA -0.702 44.465 45.100 0.111 0.000 1.019 309 G HN 1.122 nan 8.290 nan 0.000 0.497 310 V N 1.673 121.662 119.914 0.125 0.000 2.465 310 V HA 0.559 4.679 4.120 -0.000 0.000 0.279 310 V C -1.913 174.256 176.094 0.125 0.000 1.045 310 V CA -2.030 60.346 62.300 0.126 0.000 0.938 310 V CB 1.490 33.370 31.823 0.096 0.000 0.986 310 V HN 0.595 nan 8.190 nan 0.000 0.467 311 P HA 0.266 nan 4.420 nan 0.000 0.271 311 P C -1.464 175.892 177.300 0.093 0.000 1.218 311 P CA -0.312 62.856 63.100 0.114 0.000 0.780 311 P CB 0.540 32.300 31.700 0.100 0.000 0.901 312 K N 1.147 121.607 120.400 0.100 0.000 2.414 312 K HA 0.327 4.647 4.320 -0.000 0.000 0.251 312 K C 0.480 177.097 176.600 0.028 0.000 1.037 312 K CA -0.404 55.923 56.287 0.066 0.000 0.980 312 K CB 0.477 33.024 32.500 0.079 0.000 1.280 312 K HN 0.441 nan 8.250 nan 0.000 0.451 313 T N -1.324 113.230 114.554 0.001 0.000 2.899 313 T HA 0.270 4.620 4.350 -0.000 0.000 0.284 313 T C 1.580 176.260 174.700 -0.033 0.000 1.004 313 T CA -0.388 61.695 62.100 -0.029 0.000 1.043 313 T CB 1.564 70.401 68.868 -0.052 0.000 1.013 313 T HN 0.482 nan 8.240 nan 0.000 0.518 314 G N 1.019 109.788 108.800 -0.051 0.000 2.574 314 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.220 314 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.220 314 G C 1.410 176.323 174.900 0.021 0.000 1.173 314 G CA 1.274 46.355 45.100 -0.032 0.000 0.772 314 G HN 0.803 nan 8.290 nan 0.000 0.585 315 M N -0.307 119.302 119.600 0.015 0.000 2.117 315 M HA -0.001 4.479 4.480 -0.000 0.000 0.262 315 M C 2.700 179.010 176.300 0.016 0.000 1.065 315 M CA 1.445 56.770 55.300 0.041 0.000 1.114 315 M CB -0.157 32.461 32.600 0.030 0.000 1.361 315 M HN 0.304 nan 8.290 nan 0.000 0.408 316 M N -0.321 119.272 119.600 -0.012 0.000 2.086 316 M HA -0.235 4.245 4.480 -0.000 0.000 0.261 316 M C 2.000 178.254 176.300 -0.077 0.000 1.067 316 M CA 1.656 56.933 55.300 -0.038 0.000 1.116 316 M CB -0.478 32.105 32.600 -0.028 0.000 1.348 316 M HN 0.306 nan 8.290 nan 0.000 0.407 317 I N 0.361 120.899 120.570 -0.053 0.000 2.202 317 I HA -0.279 3.891 4.170 -0.000 0.000 0.242 317 I C 2.457 178.543 176.117 -0.051 0.000 1.091 317 I CA 1.569 62.828 61.300 -0.067 0.000 1.368 317 I CB -0.506 37.480 38.000 -0.024 0.000 1.058 317 I HN 0.391 nan 8.210 nan 0.000 0.410 318 E N 0.848 121.055 120.200 0.013 0.000 2.338 318 E HA -0.246 4.104 4.350 -0.000 0.000 0.197 318 E C 1.910 178.509 176.600 -0.002 0.000 1.007 318 E CA 0.815 57.239 56.400 0.039 0.000 0.849 318 E CB -0.189 29.595 29.700 0.141 0.000 0.774 318 E HN 0.580 nan 8.360 nan 0.000 0.506 319 Q N 0.243 120.025 119.800 -0.031 0.000 2.137 319 Q HA 0.013 4.353 4.340 -0.000 0.000 0.198 319 Q C 2.160 178.091 176.000 -0.115 0.000 0.960 319 Q CA 1.339 57.110 55.803 -0.053 0.000 0.847 319 Q CB -0.058 28.657 28.738 -0.038 0.000 0.915 319 Q HN 0.344 nan 8.270 nan 0.000 0.448 320 M N 0.238 119.701 119.600 -0.228 0.000 2.106 320 M HA -0.236 4.244 4.480 -0.000 0.000 0.259 320 M C 2.301 178.502 176.300 -0.165 0.000 1.068 320 M CA 1.716 56.792 55.300 -0.374 0.000 1.100 320 M CB -0.321 31.925 32.600 -0.591 0.000 1.351 320 M HN 0.263 nan 8.290 nan 0.000 0.404 321 A N 0.017 122.773 122.820 -0.107 0.000 1.902 321 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 321 A C 2.142 179.699 177.584 -0.045 0.000 1.181 321 A CA 1.695 53.694 52.037 -0.064 0.000 0.623 321 A CB -0.592 18.379 19.000 -0.048 0.000 0.818 321 A HN 0.476 nan 8.150 nan 0.000 0.443 322 M N -0.673 118.908 119.600 -0.031 0.000 2.132 322 M HA -0.113 4.367 4.480 -0.000 0.000 0.263 322 M C 2.574 178.887 176.300 0.022 0.000 1.065 322 M CA 1.359 56.661 55.300 0.004 0.000 1.122 322 M CB -0.448 32.133 32.600 -0.031 0.000 1.365 322 M HN 0.487 nan 8.290 nan 0.000 0.411 323 A N 0.029 122.845 122.820 -0.007 0.000 1.858 323 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 323 A C 2.246 179.886 177.584 0.095 0.000 1.190 323 A CA 1.706 53.782 52.037 0.064 0.000 0.617 323 A CB -1.066 17.995 19.000 0.101 0.000 0.827 323 A HN 0.277 nan 8.150 nan 0.000 0.443 324 V N -0.003 119.927 119.914 0.027 0.000 2.287 324 V HA -0.278 3.842 4.120 -0.000 0.000 0.248 324 V C 3.072 178.999 176.094 -0.280 0.000 1.053 324 V CA 2.007 64.238 62.300 -0.116 0.000 1.027 324 V CB -1.387 30.391 31.823 -0.075 0.000 0.646 324 V HN 0.652 nan 8.190 nan 0.000 0.447 325 A N -0.487 122.239 122.820 -0.158 0.000 1.859 325 A HA -0.351 3.969 4.320 -0.000 0.000 0.218 325 A C 2.016 179.487 177.584 -0.188 0.000 1.209 325 A CA 2.699 54.628 52.037 -0.179 0.000 0.639 325 A CB -1.093 17.843 19.000 -0.107 0.000 0.835 325 A HN 0.685 nan 8.150 nan 0.000 0.450 326 H N -0.400 118.585 119.070 -0.142 0.000 2.387 326 H HA -0.100 4.456 4.556 -0.000 0.000 0.299 326 H C 2.027 177.367 175.328 0.020 0.000 1.099 326 H CA 1.929 57.933 56.048 -0.074 0.000 1.315 326 H CB -0.328 29.333 29.762 -0.168 0.000 1.380 326 H HN 0.690 nan 8.280 nan 0.000 0.513 327 N N -0.362 118.409 118.700 0.118 0.000 2.244 327 N HA -0.087 4.652 4.740 -0.000 0.000 0.183 327 N C 1.439 176.915 175.510 -0.057 0.000 1.016 327 N CA 0.960 54.077 53.050 0.112 0.000 0.866 327 N CB 0.086 38.714 38.487 0.236 0.000 0.980 327 N HN 0.274 nan 8.380 nan 0.000 0.430 328 I N 0.206 120.547 120.570 -0.381 0.000 2.233 328 I HA -0.180 3.990 4.170 -0.000 0.000 0.243 328 I C 2.059 177.935 176.117 -0.401 0.000 1.093 328 I CA 0.713 61.682 61.300 -0.551 0.000 1.380 328 I CB -0.200 37.355 38.000 -0.740 0.000 1.067 328 I HN -0.023 nan 8.210 nan 0.000 0.413 329 V N 1.390 121.144 119.914 -0.267 0.000 2.343 329 V HA -0.278 3.842 4.120 -0.000 0.000 0.247 329 V C 2.035 178.091 176.094 -0.063 0.000 1.051 329 V CA 2.017 64.212 62.300 -0.176 0.000 1.036 329 V CB -0.770 30.925 31.823 -0.213 0.000 0.654 329 V HN 0.441 nan 8.190 nan 0.000 0.451 330 N N -0.200 118.507 118.700 0.012 0.000 2.396 330 N HA -0.124 4.616 4.740 -0.000 0.000 0.180 330 N C 1.505 177.068 175.510 0.088 0.000 1.028 330 N CA 1.249 54.348 53.050 0.082 0.000 0.893 330 N CB -0.295 38.286 38.487 0.157 0.000 0.967 330 N HN 0.588 nan 8.380 nan 0.000 0.440 331 D N 0.117 120.572 120.400 0.093 0.000 2.123 331 D HA 0.076 4.716 4.640 -0.000 0.000 0.200 331 D C 1.873 178.275 176.300 0.170 0.000 0.976 331 D CA 0.542 54.646 54.000 0.173 0.000 0.831 331 D CB 0.095 41.084 40.800 0.315 0.000 0.974 331 D HN 0.121 nan 8.370 nan 0.000 0.469 332 I N 0.081 120.709 120.570 0.098 0.000 2.208 332 I HA -0.224 3.946 4.170 -0.000 0.000 0.245 332 I C 1.966 178.130 176.117 0.079 0.000 1.097 332 I CA 1.152 62.514 61.300 0.103 0.000 1.363 332 I CB -0.135 37.873 38.000 0.014 0.000 1.051 332 I HN -0.040 nan 8.210 nan 0.000 0.413 333 R N 0.777 121.308 120.500 0.052 0.000 2.320 333 R HA 0.080 4.420 4.340 -0.000 0.000 0.211 333 R C 0.119 176.454 176.300 0.057 0.000 0.931 333 R CA 0.028 56.157 56.100 0.047 0.000 1.071 333 R CB -0.040 30.280 30.300 0.033 0.000 1.025 333 R HN 0.295 nan 8.270 nan 0.000 0.495 334 N N 1.041 119.784 118.700 0.072 0.000 2.741 334 N HA -0.211 4.529 4.740 -0.000 0.000 0.250 334 N C -1.021 174.526 175.510 0.061 0.000 1.115 334 N CA 0.723 53.815 53.050 0.069 0.000 0.724 334 N CB -1.217 37.304 38.487 0.057 0.000 1.090 334 N HN 0.280 nan 8.380 nan 0.000 0.558 335 N N 1.372 120.113 118.700 0.068 0.000 2.414 335 N HA 0.202 4.942 4.740 -0.000 0.000 0.256 335 N C -1.300 174.247 175.510 0.061 0.000 1.029 335 N CA -1.544 51.544 53.050 0.063 0.000 0.948 335 N CB 1.042 39.577 38.487 0.080 0.000 1.102 335 N HN 0.045 nan 8.380 nan 0.000 0.496 336 P HA 0.015 nan 4.420 nan 0.000 0.237 336 P C -0.553 176.750 177.300 0.005 0.000 1.178 336 P CA 0.329 63.447 63.100 0.031 0.000 0.766 336 P CB 0.306 32.018 31.700 0.019 0.000 0.876 337 D N 1.495 121.883 120.400 -0.019 0.000 2.424 337 D HA 0.141 4.781 4.640 -0.000 0.000 0.244 337 D C 0.562 176.776 176.300 -0.143 0.000 1.134 337 D CA 0.738 54.665 54.000 -0.122 0.000 0.881 337 D CB 0.606 41.304 40.800 -0.169 0.000 1.191 337 D HN -0.025 nan 8.370 nan 0.000 0.445 338 K N 2.222 122.486 120.400 -0.226 0.000 2.371 338 K HA 0.385 4.705 4.320 -0.000 0.000 0.251 338 K C -0.879 175.552 176.600 -0.281 0.000 0.934 338 K CA -0.747 55.465 56.287 -0.125 0.000 0.798 338 K CB 1.575 34.090 32.500 0.026 0.000 1.204 338 K HN 0.349 nan 8.250 nan 0.000 0.427 339 Y N -0.199 120.158 120.300 0.095 0.000 2.446 339 Y HA 0.584 5.134 4.550 -0.000 0.000 0.338 339 Y C 0.262 176.230 175.900 0.114 0.000 1.055 339 Y CA -0.987 57.156 58.100 0.071 0.000 1.101 339 Y CB 2.089 40.558 38.460 0.015 0.000 1.221 339 Y HN 0.627 nan 8.280 nan 0.000 0.460 340 A N 3.843 126.819 122.820 0.259 0.000 2.350 340 A HA 0.721 5.041 4.320 -0.000 0.000 0.324 340 A C -2.850 174.858 177.584 0.206 0.000 1.118 340 A CA -2.133 50.050 52.037 0.243 0.000 0.783 340 A CB 0.860 19.981 19.000 0.202 0.000 1.236 340 A HN 0.438 nan 8.150 nan 0.000 0.457 341 P HA 0.161 nan 4.420 nan 0.000 0.275 341 P C 0.313 177.674 177.300 0.102 0.000 1.227 341 P CA -0.233 62.916 63.100 0.080 0.000 0.781 341 P CB 1.086 32.755 31.700 -0.052 0.000 0.906 342 R N 3.967 124.513 120.500 0.077 0.000 2.120 342 R HA -0.037 4.303 4.340 -0.000 0.000 0.234 342 R C 0.812 177.123 176.300 0.018 0.000 1.123 342 R CA 1.024 57.150 56.100 0.043 0.000 0.975 342 R CB -1.354 28.918 30.300 -0.046 0.000 0.866 342 R HN 0.510 nan 8.270 nan 0.000 0.446 343 L N 1.542 122.770 121.223 0.009 0.000 3.601 343 L HA -0.225 4.115 4.340 -0.000 0.000 0.469 343 L C -0.644 176.207 176.870 -0.031 0.000 1.294 343 L CA 0.526 55.365 54.840 -0.002 0.000 0.829 343 L CB -2.305 39.780 42.059 0.044 0.000 1.628 343 L HN 0.403 nan 8.230 nan 0.000 0.868 344 S N -0.941 114.735 115.700 -0.040 0.000 2.541 344 S HA 0.860 5.330 4.470 -0.000 0.000 0.283 344 S C 0.187 174.766 174.600 -0.034 0.000 1.196 344 S CA -0.174 57.980 58.200 -0.076 0.000 1.062 344 S CB 2.362 65.527 63.200 -0.057 0.000 1.009 344 S HN 0.551 nan 8.310 nan 0.000 0.502 345 A N 2.592 125.361 122.820 -0.084 0.000 2.325 345 A HA 0.788 5.108 4.320 -0.000 0.000 0.333 345 A C -0.494 177.108 177.584 0.030 0.000 1.155 345 A CA -0.946 51.063 52.037 -0.046 0.000 0.814 345 A CB 0.616 19.559 19.000 -0.095 0.000 1.206 345 A HN 1.111 nan 8.150 nan 0.000 0.482 346 I N 2.000 122.574 120.570 0.006 0.000 2.583 346 I HA 0.358 4.528 4.170 -0.000 0.000 0.276 346 I C -1.452 174.559 176.117 -0.177 0.000 1.089 346 I CA -0.194 61.071 61.300 -0.057 0.000 1.103 346 I CB 0.453 38.461 38.000 0.014 0.000 1.209 346 I HN 0.576 nan 8.210 nan 0.000 0.484 347 C N 7.975 127.147 119.300 -0.212 0.000 2.264 347 C HA 0.541 5.001 4.460 -0.000 0.000 0.322 347 C C 0.171 175.093 174.990 -0.112 0.000 1.210 347 C CA -0.553 58.372 59.018 -0.155 0.000 1.539 347 C CB 0.070 27.699 27.740 -0.184 0.000 2.167 347 C HN 0.589 nan 8.230 nan 0.000 0.463 348 I N 5.173 125.697 120.570 -0.077 0.000 2.301 348 I HA 0.323 4.493 4.170 -0.000 0.000 0.292 348 I C 0.789 176.891 176.117 -0.026 0.000 1.046 348 I CA 0.226 61.499 61.300 -0.045 0.000 1.282 348 I CB 0.944 38.955 38.000 0.019 0.000 1.409 348 I HN 0.725 nan 8.210 nan 0.000 0.484 349 A N 5.464 128.254 122.820 -0.050 0.000 2.316 349 A HA 0.244 4.564 4.320 -0.000 0.000 0.311 349 A C -0.284 177.031 177.584 -0.448 0.000 1.339 349 A CA -0.483 51.522 52.037 -0.054 0.000 0.960 349 A CB 0.058 19.177 19.000 0.200 0.000 1.152 349 A HN 0.641 nan 8.150 nan 0.000 0.547 350 D N 1.728 122.036 120.400 -0.155 0.000 2.350 350 D HA 0.392 5.032 4.640 -0.000 0.000 0.249 350 D C -0.312 175.991 176.300 0.004 0.000 1.119 350 D CA -0.009 53.909 54.000 -0.136 0.000 0.886 350 D CB 0.326 41.270 40.800 0.240 0.000 1.195 350 D HN 0.340 nan 8.370 nan 0.000 0.437 351 F N 1.180 121.171 119.950 0.068 0.000 2.724 351 F HA 0.368 4.895 4.527 -0.000 0.000 0.310 351 F C 1.618 177.364 175.800 -0.091 0.000 1.107 351 F CA -0.097 57.926 58.000 0.039 0.000 1.218 351 F CB 0.436 39.451 39.000 0.025 0.000 1.042 351 F HN 0.596 nan 8.300 nan 0.000 0.540 352 G N 0.752 109.526 108.800 -0.043 0.000 4.240 352 G HA2 -0.285 3.674 3.960 -0.000 0.000 0.254 352 G HA3 -0.285 3.674 3.960 -0.000 0.000 0.254 352 G C 1.092 175.346 174.900 -1.075 0.000 1.712 352 G CA 0.270 45.045 45.100 -0.542 0.000 1.374 352 G HN 0.287 nan 8.290 nan 0.000 0.631 353 E N 1.578 121.089 120.200 -1.149 0.000 2.364 353 E HA 0.251 4.601 4.350 -0.000 0.000 0.196 353 E C 0.314 176.529 176.600 -0.641 0.000 0.990 353 E CA 1.144 56.999 56.400 -0.908 0.000 0.886 353 E CB 0.259 29.617 29.700 -0.571 0.000 0.866 353 E HN 0.678 nan 8.360 nan 0.000 0.493 354 D N -1.001 119.158 120.400 -0.403 0.000 2.732 354 D HA 0.670 5.310 4.640 -0.000 0.000 0.292 354 D C -0.938 175.221 176.300 -0.234 0.000 1.135 354 D CA -0.904 52.950 54.000 -0.243 0.000 1.071 354 D CB 1.235 41.982 40.800 -0.088 0.000 1.457 354 D HN 0.038 nan 8.370 nan 0.000 0.547 355 A N -1.296 121.305 122.820 -0.364 0.000 2.599 355 A HA 0.774 5.094 4.320 -0.000 0.000 0.290 355 A C -0.810 176.355 177.584 -0.699 0.000 1.101 355 A CA -0.544 51.005 52.037 -0.814 0.000 0.674 355 A CB 1.452 20.133 19.000 -0.532 0.000 1.277 355 A HN 0.923 nan 8.150 nan 0.000 0.419 356 G N -0.142 108.155 108.800 -0.839 0.000 2.384 356 G HA2 0.540 4.500 3.960 -0.000 0.000 0.316 356 G HA3 0.540 4.500 3.960 -0.000 0.000 0.316 356 G C -0.958 173.685 174.900 -0.429 0.000 1.160 356 G CA -0.315 44.541 45.100 -0.406 0.000 0.936 356 G HN 0.737 nan 8.290 nan 0.000 0.455 357 F N 3.271 122.856 119.950 -0.609 0.000 2.420 357 F HA 0.695 5.222 4.527 -0.000 0.000 0.352 357 F C -0.972 174.475 175.800 -0.588 0.000 1.108 357 F CA -1.094 56.638 58.000 -0.447 0.000 1.162 357 F CB 0.596 39.438 39.000 -0.263 0.000 1.118 357 F HN 0.284 nan 8.300 nan 0.000 0.510 358 F N 6.962 126.514 119.950 -0.664 0.000 2.529 358 F HA 0.442 4.969 4.527 -0.000 0.000 0.320 358 F C -1.015 174.457 175.800 -0.547 0.000 1.118 358 F CA -1.014 56.724 58.000 -0.436 0.000 0.915 358 F CB 1.730 40.533 39.000 -0.328 0.000 1.161 358 F HN 0.345 nan 8.300 nan 0.000 0.445 359 F N 2.524 122.327 119.950 -0.245 0.000 2.539 359 F HA 0.810 5.337 4.527 -0.000 0.000 0.318 359 F C -1.265 174.511 175.800 -0.040 0.000 1.135 359 F CA -0.651 57.243 58.000 -0.176 0.000 0.915 359 F CB 1.254 40.220 39.000 -0.057 0.000 1.176 359 F HN 0.560 nan 8.300 nan 0.000 0.440 360 A N 4.694 127.167 122.820 -0.577 0.000 2.385 360 A HA 0.495 4.815 4.320 -0.000 0.000 0.290 360 A C -1.943 175.247 177.584 -0.656 0.000 1.094 360 A CA -0.515 51.215 52.037 -0.512 0.000 0.729 360 A CB 1.118 19.976 19.000 -0.237 0.000 1.194 360 A HN 0.687 nan 8.150 nan 0.000 0.442 361 D N 3.772 123.765 120.400 -0.680 0.000 2.440 361 D HA 0.588 5.228 4.640 -0.000 0.000 0.252 361 D C -2.824 173.339 176.300 -0.228 0.000 1.180 361 D CA -1.468 52.252 54.000 -0.467 0.000 0.894 361 D CB 2.115 42.610 40.800 -0.508 0.000 1.111 361 D HN 0.226 nan 8.370 nan 0.000 0.544 362 P HA 0.085 nan 4.420 nan 0.000 0.276 362 P C 1.021 178.240 177.300 -0.134 0.000 1.261 362 P CA -0.686 62.336 63.100 -0.130 0.000 0.800 362 P CB 1.084 32.751 31.700 -0.056 0.000 1.066 363 V N 0.664 120.511 119.914 -0.110 0.000 2.255 363 V HA -0.199 3.921 4.120 -0.000 0.000 0.247 363 V C 1.268 177.328 176.094 -0.056 0.000 1.051 363 V CA 1.666 63.912 62.300 -0.090 0.000 1.018 363 V CB -0.895 30.891 31.823 -0.061 0.000 0.641 363 V HN 0.425 nan 8.190 nan 0.000 0.445 364 I N 1.980 122.535 120.570 -0.025 0.000 2.505 364 I HA 0.150 4.320 4.170 -0.000 0.000 0.287 364 I C -2.091 174.016 176.117 -0.017 0.000 1.104 364 I CA -1.553 59.742 61.300 -0.007 0.000 1.387 364 I CB 0.296 38.310 38.000 0.023 0.000 1.404 364 I HN 0.144 nan 8.210 nan 0.000 0.528 365 P HA 0.059 nan 4.420 nan 0.000 0.269 365 P C -2.330 174.967 177.300 -0.005 0.000 1.217 365 P CA -0.709 62.380 63.100 -0.019 0.000 0.783 365 P CB -0.346 31.344 31.700 -0.017 0.000 0.898 366 P HA 0.226 nan 4.420 nan 0.000 0.274 366 P C -0.577 176.712 177.300 -0.019 0.000 1.231 366 P CA -0.035 63.059 63.100 -0.009 0.000 0.790 366 P CB 0.925 32.624 31.700 -0.001 0.000 0.951 367 R N 1.115 121.598 120.500 -0.029 0.000 2.604 367 R HA 0.237 4.577 4.340 -0.000 0.000 0.287 367 R C 0.847 177.125 176.300 -0.037 0.000 0.970 367 R CA -0.604 55.466 56.100 -0.051 0.000 0.946 367 R CB 1.179 31.434 30.300 -0.075 0.000 1.127 367 R HN 0.418 nan 8.270 nan 0.000 0.473 368 E N 1.808 121.979 120.200 -0.047 0.000 2.076 368 E HA -0.058 4.292 4.350 -0.000 0.000 0.190 368 E C -0.080 176.515 176.600 -0.009 0.000 0.979 368 E CA 1.160 57.550 56.400 -0.017 0.000 0.807 368 E CB 0.438 30.132 29.700 -0.010 0.000 0.761 368 E HN 0.542 nan 8.360 nan 0.000 0.454 369 R N -1.643 118.832 120.500 -0.043 0.000 2.690 369 R HA 0.483 4.823 4.340 -0.000 0.000 0.269 369 R C -1.403 174.849 176.300 -0.079 0.000 1.037 369 R CA -0.555 55.542 56.100 -0.005 0.000 0.877 369 R CB 0.981 31.335 30.300 0.090 0.000 1.255 369 R HN -0.036 nan 8.270 nan 0.000 0.467 370 V N -1.142 118.778 119.914 0.011 0.000 3.040 370 V HA 0.783 4.903 4.120 -0.000 0.000 0.312 370 V C -0.532 175.682 176.094 0.200 0.000 1.115 370 V CA -1.038 61.279 62.300 0.027 0.000 0.998 370 V CB 2.187 34.021 31.823 0.019 0.000 1.042 370 V HN 0.791 nan 8.190 nan 0.000 0.433 371 I N 2.279 123.028 120.570 0.299 0.000 2.512 371 I HA 0.566 4.736 4.170 -0.000 0.000 0.287 371 I C -0.535 175.725 176.117 0.238 0.000 1.069 371 I CA -0.348 61.138 61.300 0.310 0.000 1.056 371 I CB 2.463 40.730 38.000 0.445 0.000 1.229 371 I HN 0.947 nan 8.210 nan 0.000 0.429 372 T N 2.481 117.121 114.554 0.142 0.000 2.833 372 T HA 0.640 4.990 4.350 -0.000 0.000 0.297 372 T C -0.635 174.055 174.700 -0.016 0.000 1.015 372 T CA -0.763 61.324 62.100 -0.022 0.000 0.963 372 T CB 1.439 70.333 68.868 0.043 0.000 0.955 372 T HN 0.545 nan 8.240 nan 0.000 0.449 373 K N 2.616 122.988 120.400 -0.046 0.000 2.509 373 K HA 0.707 5.027 4.320 -0.000 0.000 0.266 373 K C -1.324 175.252 176.600 -0.040 0.000 0.987 373 K CA -1.018 55.303 56.287 0.057 0.000 0.868 373 K CB 2.912 35.556 32.500 0.240 0.000 1.421 373 K HN 0.585 nan 8.250 nan 0.000 0.444 374 M N 0.911 120.528 119.600 0.029 0.000 2.378 374 M HA 0.575 5.055 4.480 -0.000 0.000 0.289 374 M C -1.210 175.083 176.300 -0.011 0.000 1.136 374 M CA -0.242 55.036 55.300 -0.036 0.000 0.917 374 M CB 2.260 34.887 32.600 0.046 0.000 1.669 374 M HN 0.861 nan 8.290 nan 0.000 0.461 375 G N 2.415 111.084 108.800 -0.218 0.000 2.322 375 G HA2 0.183 4.143 3.960 -0.000 0.000 0.295 375 G HA3 0.183 4.143 3.960 -0.000 0.000 0.295 375 G C -0.751 173.935 174.900 -0.356 0.000 1.369 375 G CA -0.666 44.333 45.100 -0.168 0.000 0.821 375 G HN 0.741 nan 8.290 nan 0.000 0.536 376 K N -0.348 119.965 120.400 -0.145 0.000 2.057 376 K HA -0.036 4.284 4.320 -0.000 0.000 0.207 376 K C 2.260 178.713 176.600 -0.244 0.000 1.049 376 K CA 2.173 58.345 56.287 -0.192 0.000 0.931 376 K CB -0.109 32.382 32.500 -0.016 0.000 0.714 376 K HN 0.680 nan 8.250 nan 0.000 0.440 377 W N 1.001 122.299 121.300 -0.004 0.000 2.325 377 W HA -0.140 4.520 4.660 -0.000 0.000 0.299 377 W C 1.664 178.215 176.519 0.054 0.000 1.215 377 W CA 1.026 58.419 57.345 0.080 0.000 1.244 377 W CB -0.911 28.570 29.460 0.035 0.000 1.140 377 W HN 0.005 nan 8.180 nan 0.000 0.523 378 A N 0.980 123.093 122.820 -1.178 0.000 2.015 378 A HA -0.263 4.057 4.320 -0.000 0.000 0.219 378 A C 2.204 179.580 177.584 -0.346 0.000 1.163 378 A CA 1.767 53.187 52.037 -1.029 0.000 0.646 378 A CB -1.503 16.693 19.000 -1.340 0.000 0.806 378 A HN 0.620 nan 8.150 nan 0.000 0.448 379 H N -1.788 117.018 119.070 -0.439 0.000 2.363 379 H HA -0.146 4.410 4.556 -0.000 0.000 0.301 379 H C 1.613 176.846 175.328 -0.159 0.000 1.074 379 H CA 1.886 57.738 56.048 -0.328 0.000 1.354 379 H CB -0.190 29.288 29.762 -0.474 0.000 1.397 379 H HN 0.510 nan 8.280 nan 0.000 0.516 380 Y N -0.426 119.780 120.300 -0.156 0.000 2.421 380 Y HA -0.114 4.436 4.550 -0.000 0.000 0.292 380 Y C 2.431 178.307 175.900 -0.040 0.000 1.136 380 Y CA 0.628 58.641 58.100 -0.145 0.000 1.255 380 Y CB -0.915 37.557 38.460 0.019 0.000 0.991 380 Y HN 0.196 nan 8.280 nan 0.000 0.552 381 F N 0.603 120.586 119.950 0.054 0.000 2.206 381 F HA -0.071 4.456 4.527 -0.000 0.000 0.298 381 F C 2.363 178.226 175.800 0.105 0.000 1.090 381 F CA 1.298 59.354 58.000 0.094 0.000 1.323 381 F CB -0.074 39.000 39.000 0.124 0.000 1.028 381 F HN -0.140 nan 8.300 nan 0.000 0.492 382 K N -0.506 120.012 120.400 0.197 0.000 2.057 382 K HA -0.131 4.189 4.320 -0.000 0.000 0.206 382 K C 1.859 178.532 176.600 0.122 0.000 1.050 382 K CA 1.823 58.231 56.287 0.202 0.000 0.935 382 K CB -0.237 32.361 32.500 0.163 0.000 0.715 382 K HN 0.201 nan 8.250 nan 0.000 0.439 383 T N 0.784 115.325 114.554 -0.022 0.000 2.746 383 T HA -0.121 4.229 4.350 -0.000 0.000 0.267 383 T C 1.900 176.573 174.700 -0.044 0.000 1.039 383 T CA 1.292 63.365 62.100 -0.045 0.000 1.142 383 T CB -0.263 68.555 68.868 -0.082 0.000 0.866 383 T HN 0.343 nan 8.240 nan 0.000 0.444 384 A N 1.131 123.906 122.820 -0.075 0.000 1.902 384 A HA -0.018 4.302 4.320 -0.000 0.000 0.217 384 A C 2.024 179.550 177.584 -0.096 0.000 1.181 384 A CA 1.315 53.267 52.037 -0.142 0.000 0.623 384 A CB -0.958 17.873 19.000 -0.281 0.000 0.818 384 A HN 0.469 nan 8.150 nan 0.000 0.443 385 F N 0.843 120.678 119.950 -0.190 0.000 2.186 385 F HA -0.101 4.426 4.527 -0.000 0.000 0.299 385 F C 2.126 177.968 175.800 0.070 0.000 1.090 385 F CA 1.869 59.871 58.000 0.004 0.000 1.307 385 F CB -0.304 38.762 39.000 0.109 0.000 1.019 385 F HN 0.469 nan 8.300 nan 0.000 0.489 386 E N 0.482 120.594 120.200 -0.148 0.000 2.033 386 E HA -0.267 4.083 4.350 -0.000 0.000 0.199 386 E C 2.117 178.411 176.600 -0.509 0.000 1.011 386 E CA 1.679 57.730 56.400 -0.582 0.000 0.815 386 E CB -0.081 29.449 29.700 -0.283 0.000 0.755 386 E HN 0.200 nan 8.360 nan 0.000 0.451 387 K N 0.002 120.260 120.400 -0.237 0.000 2.113 387 K HA -0.212 4.108 4.320 -0.000 0.000 0.208 387 K C 2.116 178.672 176.600 -0.074 0.000 1.047 387 K CA 1.435 57.642 56.287 -0.134 0.000 0.928 387 K CB -0.782 31.674 32.500 -0.073 0.000 0.716 387 K HN 0.391 nan 8.250 nan 0.000 0.446 388 Y N 0.388 120.552 120.300 -0.226 0.000 2.184 388 Y HA -0.155 4.395 4.550 -0.000 0.000 0.290 388 Y C 2.207 178.037 175.900 -0.115 0.000 1.129 388 Y CA 1.011 59.020 58.100 -0.151 0.000 1.144 388 Y CB -0.664 37.707 38.460 -0.148 0.000 0.995 388 Y HN -0.021 nan 8.280 nan 0.000 0.513 389 F N 0.290 119.816 119.950 -0.707 0.000 2.102 389 F HA -0.226 4.301 4.527 -0.000 0.000 0.298 389 F C 2.059 177.588 175.800 -0.452 0.000 1.105 389 F CA 1.807 59.376 58.000 -0.719 0.000 1.239 389 F CB -0.461 38.075 39.000 -0.773 0.000 0.991 389 F HN 0.049 nan 8.300 nan 0.000 0.474 390 L N -1.371 119.713 121.223 -0.232 0.000 2.191 390 L HA -0.230 4.110 4.340 -0.000 0.000 0.212 390 L C 2.168 178.948 176.870 -0.149 0.000 1.103 390 L CA 1.369 56.125 54.840 -0.140 0.000 0.769 390 L CB -0.748 41.248 42.059 -0.104 0.000 0.908 390 L HN 0.449 nan 8.230 nan 0.000 0.438 391 W N 1.158 122.281 121.300 -0.296 0.000 2.381 391 W HA -0.181 4.479 4.660 -0.000 0.000 0.301 391 W C 2.431 178.768 176.519 -0.303 0.000 1.205 391 W CA 1.309 58.513 57.345 -0.234 0.000 1.285 391 W CB 0.084 29.443 29.460 -0.169 0.000 1.133 391 W HN -0.110 nan 8.180 nan 0.000 0.521 392 K N -0.129 120.051 120.400 -0.366 0.000 2.026 392 K HA -0.181 4.139 4.320 -0.000 0.000 0.208 392 K C 1.802 178.046 176.600 -0.594 0.000 1.048 392 K CA 1.964 57.894 56.287 -0.594 0.000 0.929 392 K CB -0.865 31.224 32.500 -0.686 0.000 0.713 392 K HN 0.092 nan 8.250 nan 0.000 0.439 393 V N 1.316 120.869 119.914 -0.601 0.000 2.252 393 V HA -0.285 3.835 4.120 -0.000 0.000 0.249 393 V C 2.279 178.266 176.094 -0.179 0.000 1.056 393 V CA 1.857 63.899 62.300 -0.431 0.000 1.022 393 V CB -0.497 30.989 31.823 -0.561 0.000 0.641 393 V HN 0.275 nan 8.190 nan 0.000 0.445 394 R N -0.126 120.218 120.500 -0.259 0.000 2.189 394 R HA -0.072 4.268 4.340 -0.000 0.000 0.223 394 R C 1.677 177.849 176.300 -0.212 0.000 1.092 394 R CA 1.512 57.507 56.100 -0.175 0.000 0.989 394 R CB -0.166 30.018 30.300 -0.192 0.000 0.876 394 R HN 0.601 nan 8.270 nan 0.000 0.457 395 N N -1.811 116.544 118.700 -0.576 0.000 2.205 395 N HA 0.143 4.883 4.740 -0.000 0.000 0.201 395 N C 0.231 175.272 175.510 -0.782 0.000 1.128 395 N CA 0.638 53.271 53.050 -0.695 0.000 0.867 395 N CB 1.763 39.415 38.487 -1.391 0.000 0.996 395 N HN 0.238 nan 8.380 nan 0.000 0.503 396 G N 0.623 108.786 108.800 -1.061 0.000 2.132 396 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.234 396 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.234 396 G C -0.326 173.887 174.900 -1.146 0.000 0.989 396 G CA -0.189 43.715 45.100 -1.993 0.000 0.676 396 G HN 0.396 nan 8.290 nan 0.000 0.522 397 N N -0.075 118.277 118.700 -0.581 0.000 2.533 397 N HA 0.477 5.217 4.740 -0.000 0.000 0.289 397 N C 1.057 176.446 175.510 -0.202 0.000 1.103 397 N CA -0.925 51.947 53.050 -0.297 0.000 0.877 397 N CB 0.830 39.183 38.487 -0.224 0.000 1.419 397 N HN -0.106 nan 8.380 nan 0.000 0.517 398 I N 0.786 121.276 120.570 -0.134 0.000 3.226 398 I HA 0.180 4.350 4.170 -0.000 0.000 0.277 398 I C 0.748 176.786 176.117 -0.132 0.000 1.243 398 I CA 0.506 61.669 61.300 -0.230 0.000 1.459 398 I CB -0.810 37.031 38.000 -0.265 0.000 1.093 398 I HN 0.556 nan 8.210 nan 0.000 0.453 399 A N 3.605 126.372 122.820 -0.088 0.000 3.105 399 A HA 0.508 4.828 4.320 -0.000 0.000 0.336 399 A C -2.404 175.130 177.584 -0.083 0.000 1.042 399 A CA -1.123 50.875 52.037 -0.064 0.000 0.851 399 A CB -0.306 18.673 19.000 -0.034 0.000 1.068 399 A HN -0.062 nan 8.150 nan 0.000 0.477 400 P HA 0.029 nan 4.420 nan 0.000 0.268 400 P C 1.227 178.411 177.300 -0.193 0.000 1.204 400 P CA 0.507 63.535 63.100 -0.121 0.000 0.768 400 P CB 1.152 32.758 31.700 -0.157 0.000 0.842 401 S N 3.895 119.574 115.700 -0.035 0.000 2.372 401 S HA -0.289 4.181 4.470 -0.000 0.000 0.227 401 S C 1.823 176.425 174.600 0.003 0.000 1.044 401 S CA 1.662 59.864 58.200 0.003 0.000 1.050 401 S CB -1.840 61.399 63.200 0.064 0.000 0.901 401 S HN 0.569 nan 8.310 nan 0.000 0.447 402 F N 2.316 122.309 119.950 0.072 0.000 2.154 402 F HA -0.033 4.494 4.527 -0.000 0.000 0.301 402 F C 2.350 178.201 175.800 0.085 0.000 1.087 402 F CA 1.493 59.533 58.000 0.067 0.000 1.274 402 F CB -0.802 38.228 39.000 0.048 0.000 1.009 402 F HN 0.285 nan 8.300 nan 0.000 0.485 403 E N 0.429 120.159 120.200 -0.782 0.000 2.110 403 E HA -0.261 4.088 4.350 -0.000 0.000 0.193 403 E C 2.232 178.786 176.600 -0.076 0.000 0.988 403 E CA 1.264 57.404 56.400 -0.434 0.000 0.804 403 E CB -0.293 29.151 29.700 -0.427 0.000 0.745 403 E HN 0.731 nan 8.360 nan 0.000 0.458 404 E N 0.408 120.572 120.200 -0.060 0.000 2.107 404 E HA -0.163 4.187 4.350 -0.000 0.000 0.191 404 E C 1.855 178.492 176.600 0.062 0.000 0.982 404 E CA 0.791 57.202 56.400 0.018 0.000 0.809 404 E CB 0.177 29.882 29.700 0.009 0.000 0.756 404 E HN 0.125 nan 8.360 nan 0.000 0.459 405 K N -0.077 120.368 120.400 0.076 0.000 2.155 405 K HA -0.061 4.259 4.320 -0.000 0.000 0.203 405 K C 2.074 178.761 176.600 0.146 0.000 1.052 405 K CA 0.797 57.147 56.287 0.104 0.000 0.948 405 K CB 0.195 32.761 32.500 0.111 0.000 0.728 405 K HN -0.003 nan 8.250 nan 0.000 0.448 406 V N 1.194 121.224 119.914 0.194 0.000 2.307 406 V HA -0.219 3.901 4.120 -0.000 0.000 0.245 406 V C 2.037 178.309 176.094 0.296 0.000 1.045 406 V CA 1.304 63.779 62.300 0.292 0.000 1.024 406 V CB -0.324 31.666 31.823 0.277 0.000 0.651 406 V HN 0.207 nan 8.190 nan 0.000 0.449 407 L N 0.163 121.491 121.223 0.174 0.000 2.079 407 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 407 L C 2.462 179.406 176.870 0.124 0.000 1.081 407 L CA 1.967 56.887 54.840 0.133 0.000 0.752 407 L CB -1.091 41.027 42.059 0.098 0.000 0.896 407 L HN 0.500 nan 8.230 nan 0.000 0.433 408 E N 0.067 120.335 120.200 0.114 0.000 2.031 408 E HA -0.219 4.131 4.350 -0.000 0.000 0.193 408 E C 2.068 178.702 176.600 0.057 0.000 0.994 408 E CA 1.782 58.235 56.400 0.089 0.000 0.800 408 E CB -0.107 29.641 29.700 0.080 0.000 0.752 408 E HN 0.605 nan 8.360 nan 0.000 0.447 409 I N -2.562 118.030 120.570 0.037 0.000 3.578 409 I HA 0.042 4.212 4.170 -0.000 0.000 0.295 409 I C 1.133 177.108 176.117 -0.237 0.000 1.280 409 I CA 0.425 61.666 61.300 -0.098 0.000 1.347 409 I CB -0.181 37.723 38.000 -0.160 0.000 1.051 409 I HN -0.020 nan 8.210 nan 0.000 0.460 410 F N 1.198 121.121 119.950 -0.045 0.000 2.622 410 F HA 0.336 4.863 4.527 -0.000 0.000 0.288 410 F C 1.580 177.298 175.800 -0.136 0.000 1.120 410 F CA 0.639 58.584 58.000 -0.092 0.000 1.423 410 F CB 0.449 39.388 39.000 -0.102 0.000 1.127 410 F HN -0.077 nan 8.300 nan 0.000 0.588 411 L N -1.001 120.243 121.223 0.035 0.000 3.386 411 L HA 0.234 4.574 4.340 -0.000 0.000 0.307 411 L C -0.122 176.781 176.870 0.055 0.000 1.235 411 L CA -0.146 54.638 54.840 -0.094 0.000 1.056 411 L CB 0.099 41.887 42.059 -0.452 0.000 1.453 411 L HN -0.139 nan 8.230 nan 0.000 0.615 412 K N 0.593 121.032 120.400 0.065 0.000 3.148 412 K HA -0.143 4.177 4.320 -0.000 0.000 0.267 412 K C -0.508 176.160 176.600 0.114 0.000 0.996 412 K CA 0.153 56.495 56.287 0.092 0.000 0.737 412 K CB -1.515 31.040 32.500 0.091 0.000 1.308 412 K HN 0.062 nan 8.250 nan 0.000 0.470 413 V N 2.677 122.654 119.914 0.106 0.000 2.357 413 V HA 0.181 4.301 4.120 -0.000 0.000 0.284 413 V C 0.413 176.549 176.094 0.070 0.000 1.018 413 V CA -0.716 61.630 62.300 0.076 0.000 0.841 413 V CB 0.991 32.897 31.823 0.139 0.000 0.991 413 V HN 0.381 nan 8.190 nan 0.000 0.437 414 H N 5.214 124.334 119.070 0.083 0.000 2.488 414 H HA 0.460 5.016 4.556 -0.000 0.000 0.322 414 H C -2.560 172.797 175.328 0.049 0.000 1.078 414 H CA -2.518 53.562 56.048 0.054 0.000 1.260 414 H CB 2.141 31.930 29.762 0.046 0.000 1.425 414 H HN 0.331 nan 8.280 nan 0.000 0.471 415 P HA 0.068 nan 4.420 nan 0.000 0.224 415 P C 0.532 177.879 177.300 0.078 0.000 1.157 415 P CA 0.731 63.868 63.100 0.061 0.000 0.799 415 P CB 0.483 32.202 31.700 0.032 0.000 0.809 416 I N -4.296 116.350 120.570 0.126 0.000 2.828 416 I HA 0.577 4.747 4.170 -0.000 0.000 0.302 416 I C -1.002 175.257 176.117 0.237 0.000 1.101 416 I CA -1.251 60.127 61.300 0.131 0.000 1.031 416 I CB 2.893 40.873 38.000 -0.034 0.000 1.231 416 I HN -0.329 nan 8.210 nan 0.000 0.427 417 E N 3.264 123.613 120.200 0.249 0.000 2.266 417 E HA 0.423 4.773 4.350 -0.000 0.000 0.268 417 E C -1.463 175.251 176.600 0.190 0.000 0.879 417 E CA -1.100 55.409 56.400 0.182 0.000 0.762 417 E CB 3.282 33.087 29.700 0.174 0.000 1.199 417 E HN 0.493 nan 8.360 nan 0.000 0.422 418 L N 2.126 123.399 121.223 0.084 0.000 2.410 418 L HA 0.125 4.465 4.340 -0.000 0.000 0.273 418 L C -0.840 175.986 176.870 -0.074 0.000 1.144 418 L CA -0.022 54.754 54.840 -0.106 0.000 0.863 418 L CB 0.432 42.415 42.059 -0.128 0.000 1.140 418 L HN 0.635 nan 8.230 nan 0.000 0.463 419 c N 6.512 125.049 118.600 -0.105 0.000 2.293 419 c HA 0.329 4.899 4.570 -0.000 0.000 0.323 419 c C 1.417 175.482 174.090 -0.041 0.000 1.240 419 c CA -0.844 55.467 56.329 -0.030 0.000 1.497 419 c CB 0.007 42.532 42.510 0.024 0.000 2.171 419 c HN 1.051 nan 8.230 nan 0.000 0.465 420 K N 2.161 122.545 120.400 -0.026 0.000 2.442 420 K HA -0.022 4.298 4.320 -0.000 0.000 0.198 420 K C -0.199 176.394 176.600 -0.011 0.000 1.042 420 K CA 1.282 57.555 56.287 -0.023 0.000 0.958 420 K CB 0.152 32.643 32.500 -0.015 0.000 0.766 420 K HN 0.642 nan 8.250 nan 0.000 0.474 421 D N -0.664 119.735 120.400 -0.001 0.000 2.369 421 D HA 0.118 4.758 4.640 -0.000 0.000 0.212 421 D C -0.221 176.087 176.300 0.013 0.000 1.326 421 D CA -0.749 53.254 54.000 0.005 0.000 0.933 421 D CB 0.564 41.366 40.800 0.003 0.000 1.516 421 D HN 0.090 nan 8.370 nan 0.000 0.557 422 c N 2.345 120.956 118.600 0.018 0.000 2.481 422 c HA 0.107 4.677 4.570 -0.000 0.000 0.275 422 c C 1.241 175.332 174.090 0.003 0.000 1.419 422 c CA -0.134 56.210 56.329 0.024 0.000 1.773 422 c CB -1.050 41.485 42.510 0.042 0.000 1.862 422 c HN 0.573 nan 8.230 nan 0.000 0.530 423 E N 0.771 120.969 120.200 -0.003 0.000 2.341 423 E HA 0.405 4.755 4.350 -0.000 0.000 0.256 423 E C 0.547 177.138 176.600 -0.015 0.000 1.125 423 E CA 0.493 56.884 56.400 -0.014 0.000 0.939 423 E CB -0.338 29.354 29.700 -0.013 0.000 0.991 423 E HN 0.607 nan 8.360 nan 0.000 0.458 424 G N 2.145 110.930 108.800 -0.025 0.000 2.356 424 G HA2 0.342 4.302 3.960 -0.000 0.000 0.300 424 G HA3 0.342 4.302 3.960 -0.000 0.000 0.300 424 G C -1.139 173.735 174.900 -0.044 0.000 1.331 424 G CA -0.551 44.534 45.100 -0.025 0.000 0.905 424 G HN 0.596 nan 8.290 nan 0.000 0.587 425 A N 1.091 123.887 122.820 -0.039 0.000 2.462 425 A HA 0.703 5.023 4.320 -0.000 0.000 0.243 425 A C -1.749 175.786 177.584 -0.081 0.000 1.076 425 A CA -0.734 51.268 52.037 -0.058 0.000 0.773 425 A CB -0.152 18.828 19.000 -0.032 0.000 1.010 425 A HN 0.550 nan 8.150 nan 0.000 0.493 426 P HA 0.230 nan 4.420 nan 0.000 0.268 426 P C 0.959 178.237 177.300 -0.036 0.000 1.204 426 P CA 1.435 64.388 63.100 -0.245 0.000 0.768 426 P CB 0.951 32.270 31.700 -0.635 0.000 0.842 427 G N 1.876 110.726 108.800 0.084 0.000 2.268 427 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.240 427 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.240 427 G C 0.449 175.389 174.900 0.068 0.000 1.010 427 G CA 0.383 45.551 45.100 0.113 0.000 0.618 427 G HN 0.880 nan 8.290 nan 0.000 0.516 428 S N 0.771 116.494 115.700 0.040 0.000 2.608 428 S HA 0.679 5.148 4.470 -0.000 0.000 0.261 428 S C 0.357 174.981 174.600 0.041 0.000 1.314 428 S CA -0.239 57.980 58.200 0.031 0.000 0.992 428 S CB 1.129 64.338 63.200 0.015 0.000 0.935 428 S HN 0.493 nan 8.310 nan 0.000 0.564 429 R N 0.583 121.104 120.500 0.035 0.000 2.265 429 R HA 0.418 4.758 4.340 -0.000 0.000 0.319 429 R C 0.071 176.392 176.300 0.035 0.000 1.006 429 R CA -0.624 55.500 56.100 0.041 0.000 0.880 429 R CB -0.121 30.201 30.300 0.037 0.000 1.077 429 R HN 0.746 nan 8.270 nan 0.000 0.454 430 c N 0.000 118.625 118.600 0.042 0.000 2.653 430 c HA 0.000 4.570 4.570 -0.000 0.000 0.325 430 c CA 0.000 56.348 56.329 0.032 0.000 1.963 430 c CB 0.000 42.531 42.510 0.035 0.000 2.134 430 c HN 0.000 nan 8.230 nan 0.000 0.568