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_D 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 0.000 177.647 177.584 0.105 0.000 1.274 2 A CA 0.000 52.084 52.037 0.078 0.000 0.836 2 A CB 0.000 19.049 19.000 0.081 0.000 0.831 3 K N 0.625 121.115 120.400 0.150 0.000 2.202 3 K HA 0.280 4.600 4.320 -0.000 0.000 0.238 3 K C -0.346 176.416 176.600 0.270 0.000 1.070 3 K CA -0.017 56.391 56.287 0.202 0.000 0.859 3 K CB 0.034 32.703 32.500 0.282 0.000 1.140 3 K HN 0.787 nan 8.250 nan 0.000 0.515 4 H N -0.283 118.886 119.070 0.165 0.000 2.658 4 H HA 0.339 4.895 4.556 -0.000 0.000 0.337 4 H C -1.420 174.044 175.328 0.227 0.000 1.009 4 H CA -0.727 55.418 56.048 0.161 0.000 1.231 4 H CB 1.245 31.082 29.762 0.124 0.000 1.508 4 H HN 0.045 nan 8.280 nan 0.000 0.517 5 V N 6.460 126.387 119.914 0.021 0.000 2.357 5 V HA 0.123 4.243 4.120 -0.000 0.000 0.284 5 V C -0.110 175.853 176.094 -0.218 0.000 1.018 5 V CA -0.740 61.542 62.300 -0.030 0.000 0.841 5 V CB 1.452 33.298 31.823 0.037 0.000 0.991 5 V HN 0.500 nan 8.190 nan 0.000 0.437 6 V N 7.308 127.077 119.914 -0.242 0.000 2.350 6 V HA 0.539 4.659 4.120 -0.000 0.000 0.276 6 V C -0.307 175.707 176.094 -0.134 0.000 1.028 6 V CA -0.088 62.095 62.300 -0.194 0.000 0.860 6 V CB 1.708 33.440 31.823 -0.153 0.000 0.990 6 V HN 0.619 nan 8.190 nan 0.000 0.453 7 V N 8.785 128.658 119.914 -0.069 0.000 2.294 7 V HA 0.379 4.499 4.120 -0.000 0.000 0.272 7 V C 0.122 176.202 176.094 -0.024 0.000 1.027 7 V CA -0.481 61.792 62.300 -0.043 0.000 0.823 7 V CB 1.035 32.845 31.823 -0.021 0.000 1.030 7 V HN 0.867 nan 8.190 nan 0.000 0.457 8 I N 4.355 124.904 120.570 -0.036 0.000 2.352 8 I HA 0.773 4.943 4.170 -0.000 0.000 0.290 8 I C 0.492 176.609 176.117 -0.001 0.000 1.036 8 I CA 0.799 62.087 61.300 -0.020 0.000 1.336 8 I CB 0.437 38.419 38.000 -0.031 0.000 1.407 8 I HN 0.844 nan 8.210 nan 0.000 0.497 9 G N 4.103 112.914 108.800 0.017 0.000 3.400 9 G HA2 0.187 4.147 3.960 -0.000 0.000 0.679 9 G HA3 0.187 4.147 3.960 -0.000 0.000 0.679 9 G C -0.048 174.893 174.900 0.069 0.000 1.239 9 G CA -0.511 44.609 45.100 0.033 0.000 1.049 9 G HN 1.178 nan 8.290 nan 0.000 0.539 10 G N 0.521 109.384 108.800 0.105 0.000 3.678 10 G HA2 0.639 4.599 3.960 -0.000 0.000 0.287 10 G HA3 0.639 4.599 3.960 -0.000 0.000 0.287 10 G C 0.848 175.879 174.900 0.218 0.000 1.280 10 G CA 0.912 46.109 45.100 0.161 0.000 1.118 10 G HN 1.217 nan 8.290 nan 0.000 0.563 11 G N -0.638 108.279 108.800 0.194 0.000 2.890 11 G HA2 0.346 4.306 3.960 -0.000 0.000 0.189 11 G HA3 0.346 4.306 3.960 -0.000 0.000 0.189 11 G C 1.121 176.237 174.900 0.361 0.000 1.342 11 G CA 0.140 45.426 45.100 0.310 0.000 1.026 11 G HN 0.011 nan 8.290 nan 0.000 0.579 12 V N 1.065 121.205 119.914 0.377 0.000 2.332 12 V HA -0.087 4.033 4.120 -0.000 0.000 0.248 12 V C 3.068 179.247 176.094 0.142 0.000 1.055 12 V CA 2.562 65.055 62.300 0.322 0.000 1.038 12 V CB -1.186 30.764 31.823 0.212 0.000 0.651 12 V HN 0.769 nan 8.190 nan 0.000 0.450 13 G N 0.092 108.944 108.800 0.087 0.000 2.453 13 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.215 13 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.215 13 G C 1.648 176.549 174.900 0.002 0.000 1.201 13 G CA 0.957 46.079 45.100 0.038 0.000 0.784 13 G HN 0.578 nan 8.290 nan 0.000 0.545 14 G N 0.963 109.766 108.800 0.006 0.000 2.421 14 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.216 14 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.216 14 G C 1.694 176.526 174.900 -0.113 0.000 1.171 14 G CA 0.961 46.045 45.100 -0.027 0.000 0.775 14 G HN 0.293 nan 8.290 nan 0.000 0.543 15 I N 2.009 122.469 120.570 -0.184 0.000 2.163 15 I HA -0.152 4.018 4.170 -0.000 0.000 0.243 15 I C 3.254 179.037 176.117 -0.557 0.000 1.085 15 I CA 1.241 62.235 61.300 -0.509 0.000 1.347 15 I CB -1.389 36.210 38.000 -0.669 0.000 1.044 15 I HN 0.266 nan 8.210 nan 0.000 0.408 16 A N 0.263 122.919 122.820 -0.274 0.000 1.933 16 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 16 A C 2.418 179.938 177.584 -0.106 0.000 1.175 16 A CA 2.290 54.237 52.037 -0.150 0.000 0.628 16 A CB -0.988 18.004 19.000 -0.013 0.000 0.814 16 A HN 0.437 nan 8.150 nan 0.000 0.444 17 T N 0.095 114.589 114.554 -0.099 0.000 2.812 17 T HA 0.088 4.438 4.350 -0.000 0.000 0.264 17 T C 2.236 176.886 174.700 -0.083 0.000 1.042 17 T CA 1.323 63.371 62.100 -0.087 0.000 1.140 17 T CB -0.366 68.457 68.868 -0.073 0.000 0.870 17 T HN 0.562 nan 8.240 nan 0.000 0.445 18 A N 0.742 123.510 122.820 -0.085 0.000 1.898 18 A HA -0.058 4.262 4.320 -0.000 0.000 0.216 18 A C 2.060 179.686 177.584 0.069 0.000 1.181 18 A CA 1.167 53.190 52.037 -0.024 0.000 0.620 18 A CB -0.886 18.102 19.000 -0.020 0.000 0.819 18 A HN 0.463 nan 8.150 nan 0.000 0.442 19 Y N 0.662 120.865 120.300 -0.161 0.000 2.293 19 Y HA -0.093 4.457 4.550 -0.000 0.000 0.291 19 Y C 2.406 178.182 175.900 -0.205 0.000 1.137 19 Y CA 0.632 58.592 58.100 -0.233 0.000 1.202 19 Y CB -0.706 37.566 38.460 -0.313 0.000 0.990 19 Y HN 0.345 nan 8.280 nan 0.000 0.537 20 N N 0.086 118.778 118.700 -0.014 0.000 2.216 20 N HA -0.107 4.633 4.740 -0.000 0.000 0.183 20 N C 1.997 177.424 175.510 -0.138 0.000 1.017 20 N CA 0.811 53.803 53.050 -0.096 0.000 0.861 20 N CB -0.384 38.035 38.487 -0.113 0.000 0.986 20 N HN 0.315 nan 8.380 nan 0.000 0.428 21 L N 0.692 121.848 121.223 -0.113 0.000 2.056 21 L HA -0.119 4.221 4.340 -0.000 0.000 0.207 21 L C 2.567 179.388 176.870 -0.082 0.000 1.078 21 L CA 0.901 55.670 54.840 -0.118 0.000 0.749 21 L CB -0.253 41.750 42.059 -0.094 0.000 0.901 21 L HN 0.038 nan 8.230 nan 0.000 0.433 22 R N 0.885 121.355 120.500 -0.050 0.000 2.083 22 R HA -0.176 4.164 4.340 -0.000 0.000 0.237 22 R C 1.840 178.094 176.300 -0.076 0.000 1.137 22 R CA 2.097 58.171 56.100 -0.043 0.000 0.951 22 R CB -0.801 29.478 30.300 -0.035 0.000 0.851 22 R HN 0.389 nan 8.270 nan 0.000 0.434 23 N N -0.718 117.915 118.700 -0.111 0.000 2.244 23 N HA -0.098 4.642 4.740 -0.000 0.000 0.183 23 N C 1.039 176.491 175.510 -0.097 0.000 1.016 23 N CA 0.929 53.911 53.050 -0.113 0.000 0.866 23 N CB -0.031 38.377 38.487 -0.132 0.000 0.980 23 N HN 0.064 nan 8.380 nan 0.000 0.430 24 L N -0.190 120.959 121.223 -0.122 0.000 2.179 24 L HA 0.165 4.505 4.340 -0.000 0.000 0.208 24 L C 0.458 177.283 176.870 -0.075 0.000 1.096 24 L CA 1.369 56.135 54.840 -0.124 0.000 0.779 24 L CB -0.161 41.767 42.059 -0.219 0.000 0.922 24 L HN 0.216 nan 8.230 nan 0.000 0.443 25 M N -0.945 118.617 119.600 -0.064 0.000 2.037 25 M HA 0.205 4.685 4.480 -0.000 0.000 0.255 25 M C -1.869 174.422 176.300 -0.014 0.000 0.914 25 M CA -1.243 54.038 55.300 -0.031 0.000 0.986 25 M CB 2.164 34.749 32.600 -0.026 0.000 1.947 25 M HN -0.175 nan 8.290 nan 0.000 0.419 26 P HA -0.061 nan 4.420 nan 0.000 0.221 26 P C 0.444 177.754 177.300 0.017 0.000 1.150 26 P CA 1.132 64.234 63.100 0.003 0.000 0.800 26 P CB 0.289 31.989 31.700 -0.001 0.000 0.787 27 D N -1.189 119.222 120.400 0.018 0.000 2.263 27 D HA -0.069 4.570 4.640 -0.000 0.000 0.208 27 D C 0.721 177.046 176.300 0.042 0.000 0.971 27 D CA 0.489 54.506 54.000 0.028 0.000 0.867 27 D CB -0.461 40.355 40.800 0.027 0.000 0.929 27 D HN 0.045 nan 8.370 nan 0.000 0.492 28 L N 0.466 121.716 121.223 0.044 0.000 2.452 28 L HA 0.208 4.548 4.340 -0.000 0.000 0.267 28 L C 0.017 176.941 176.870 0.091 0.000 1.188 28 L CA 0.015 54.896 54.840 0.069 0.000 0.821 28 L CB 0.760 42.849 42.059 0.051 0.000 1.102 28 L HN -0.308 nan 8.230 nan 0.000 0.470 29 K N 4.010 124.494 120.400 0.140 0.000 2.213 29 K HA 0.626 4.946 4.320 -0.000 0.000 0.270 29 K C -1.360 175.398 176.600 0.263 0.000 1.002 29 K CA -0.159 56.244 56.287 0.193 0.000 0.868 29 K CB 0.576 33.189 32.500 0.189 0.000 1.093 29 K HN 0.593 nan 8.250 nan 0.000 0.454 30 I N 2.529 123.223 120.570 0.207 0.000 2.498 30 I HA 0.261 4.431 4.170 -0.000 0.000 0.290 30 I C -0.571 175.647 176.117 0.168 0.000 1.032 30 I CA -0.798 60.591 61.300 0.148 0.000 1.073 30 I CB 2.349 40.409 38.000 0.100 0.000 1.251 30 I HN 0.494 nan 8.210 nan 0.000 0.426 31 T N 7.022 121.645 114.554 0.116 0.000 2.881 31 T HA 0.577 4.927 4.350 -0.000 0.000 0.290 31 T C -1.329 173.413 174.700 0.070 0.000 1.000 31 T CA -0.421 61.757 62.100 0.130 0.000 0.978 31 T CB 1.179 70.166 68.868 0.198 0.000 0.997 31 T HN 0.462 nan 8.240 nan 0.000 0.443 32 L N 6.312 127.604 121.223 0.115 0.000 2.313 32 L HA 0.701 5.041 4.340 -0.000 0.000 0.283 32 L C -1.041 175.860 176.870 0.051 0.000 1.013 32 L CA -0.896 54.012 54.840 0.113 0.000 0.816 32 L CB 0.945 43.126 42.059 0.203 0.000 1.236 32 L HN 0.678 nan 8.230 nan 0.000 0.419 33 I N 4.081 124.645 120.570 -0.011 0.000 2.362 33 I HA 0.380 4.550 4.170 -0.000 0.000 0.289 33 I C -0.258 175.816 176.117 -0.071 0.000 0.994 33 I CA -0.058 61.177 61.300 -0.108 0.000 1.158 33 I CB 1.827 39.780 38.000 -0.078 0.000 1.315 33 I HN 0.472 nan 8.210 nan 0.000 0.451 34 S N 2.945 118.554 115.700 -0.151 0.000 2.549 34 S HA 0.293 4.763 4.470 -0.000 0.000 0.280 34 S C 0.199 174.753 174.600 -0.076 0.000 1.109 34 S CA -0.719 57.468 58.200 -0.021 0.000 0.905 34 S CB 1.384 64.712 63.200 0.214 0.000 1.081 34 S HN 0.728 nan 8.310 nan 0.000 0.477 35 D N 2.229 122.612 120.400 -0.030 0.000 2.249 35 D HA 0.007 4.647 4.640 -0.000 0.000 0.205 35 D C 0.335 176.637 176.300 0.005 0.000 0.962 35 D CA 0.692 54.677 54.000 -0.025 0.000 0.860 35 D CB 0.002 40.790 40.800 -0.020 0.000 0.955 35 D HN 0.290 nan 8.370 nan 0.000 0.505 36 R N 1.185 121.678 120.500 -0.012 0.000 2.297 36 R HA 0.249 4.589 4.340 -0.000 0.000 0.308 36 R C -1.761 174.583 176.300 0.074 0.000 1.029 36 R CA -1.501 54.544 56.100 -0.092 0.000 0.929 36 R CB 1.234 31.271 30.300 -0.439 0.000 1.046 36 R HN 0.066 nan 8.270 nan 0.000 0.461 37 P HA -0.078 nan 4.420 nan 0.000 0.242 37 P C -1.015 176.447 177.300 0.270 0.000 1.197 37 P CA 0.840 64.147 63.100 0.346 0.000 0.765 37 P CB 0.035 31.935 31.700 0.333 0.000 0.936 38 Y N -2.515 117.903 120.300 0.197 0.000 2.553 38 Y HA 0.647 5.197 4.550 -0.000 0.000 0.347 38 Y C -1.064 174.961 175.900 0.209 0.000 1.019 38 Y CA -2.591 55.606 58.100 0.162 0.000 1.032 38 Y CB 0.524 39.096 38.460 0.188 0.000 1.284 38 Y HN -0.251 nan 8.280 nan 0.000 0.466 39 F N 2.440 122.500 119.950 0.183 0.000 2.404 39 F HA 0.809 5.336 4.527 -0.000 0.000 0.345 39 F C 0.093 176.099 175.800 0.344 0.000 1.110 39 F CA -0.606 57.490 58.000 0.161 0.000 1.130 39 F CB 1.175 40.230 39.000 0.091 0.000 1.129 39 F HN 0.856 nan 8.300 nan 0.000 0.500 40 G N 5.760 114.221 108.800 -0.564 0.000 2.422 40 G HA2 0.332 4.292 3.960 -0.000 0.000 0.317 40 G HA3 0.332 4.292 3.960 -0.000 0.000 0.317 40 G C -1.643 172.743 174.900 -0.858 0.000 1.210 40 G CA -0.594 44.346 45.100 -0.265 0.000 0.930 40 G HN 0.679 nan 8.290 nan 0.000 0.468 41 F N 3.982 123.519 119.950 -0.690 0.000 2.541 41 F HA 0.214 4.741 4.527 -0.000 0.000 0.347 41 F C 1.821 177.188 175.800 -0.723 0.000 1.242 41 F CA -0.387 57.319 58.000 -0.489 0.000 1.123 41 F CB 0.160 39.111 39.000 -0.081 0.000 1.354 41 F HN 0.458 nan 8.300 nan 0.000 0.621 42 T N 5.253 119.075 114.554 -1.221 0.000 2.699 42 T HA -0.142 4.208 4.350 -0.000 0.000 0.268 42 T C -0.668 173.436 174.700 -0.995 0.000 1.036 42 T CA 1.445 62.628 62.100 -1.528 0.000 1.147 42 T CB -0.986 67.432 68.868 -0.749 0.000 0.862 42 T HN 0.376 nan 8.240 nan 0.000 0.446 43 P HA 0.049 nan 4.420 nan 0.000 0.227 43 P C 0.721 177.938 177.300 -0.140 0.000 1.145 43 P CA 0.867 63.665 63.100 -0.504 0.000 0.769 43 P CB -0.192 31.085 31.700 -0.705 0.000 0.769 44 A N -2.911 119.812 122.820 -0.161 0.000 2.470 44 A HA 0.176 4.496 4.320 -0.000 0.000 0.251 44 A C 1.222 179.069 177.584 0.438 0.000 1.245 44 A CA -0.203 51.958 52.037 0.207 0.000 0.932 44 A CB -0.799 18.343 19.000 0.236 0.000 1.037 44 A HN -0.047 nan 8.150 nan 0.000 0.522 45 F N 0.963 121.033 119.950 0.200 0.000 2.186 45 F HA 0.035 4.562 4.527 -0.000 0.000 0.299 45 F C -0.557 175.352 175.800 0.182 0.000 1.090 45 F CA 0.665 58.770 58.000 0.175 0.000 1.307 45 F CB -1.862 37.202 39.000 0.107 0.000 1.019 45 F HN 0.181 nan 8.300 nan 0.000 0.489 46 P HA -0.141 nan 4.420 nan 0.000 0.216 46 P C 1.127 178.514 177.300 0.145 0.000 1.150 46 P CA 1.806 65.054 63.100 0.248 0.000 0.837 46 P CB -0.159 31.651 31.700 0.183 0.000 0.786 47 H N -1.380 117.835 119.070 0.243 0.000 2.357 47 H HA -0.009 4.547 4.556 -0.000 0.000 0.301 47 H C 2.044 177.485 175.328 0.188 0.000 1.082 47 H CA 0.773 56.962 56.048 0.236 0.000 1.342 47 H CB -1.163 28.848 29.762 0.416 0.000 1.389 47 H HN 0.002 nan 8.280 nan 0.000 0.511 48 L N 0.173 121.625 121.223 0.381 0.000 2.042 48 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 48 L C 2.375 179.348 176.870 0.170 0.000 1.076 48 L CA 1.307 56.318 54.840 0.285 0.000 0.749 48 L CB -0.468 41.784 42.059 0.322 0.000 0.893 48 L HN 0.414 nan 8.230 nan 0.000 0.432 49 A N -0.964 121.946 122.820 0.150 0.000 1.969 49 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 49 A C 2.024 179.664 177.584 0.092 0.000 1.169 49 A CA 1.291 53.399 52.037 0.119 0.000 0.635 49 A CB -0.256 18.813 19.000 0.114 0.000 0.810 49 A HN 0.413 nan 8.150 nan 0.000 0.445 50 M N -1.486 118.072 119.600 -0.070 0.000 2.556 50 M HA 0.131 4.611 4.480 -0.000 0.000 0.245 50 M C 1.458 177.578 176.300 -0.300 0.000 1.128 50 M CA 0.958 56.025 55.300 -0.389 0.000 1.069 50 M CB -0.706 31.156 32.600 -1.230 0.000 1.469 50 M HN 0.755 nan 8.290 nan 0.000 0.494 51 G N -0.688 108.097 108.800 -0.025 0.000 2.136 51 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.242 51 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.242 51 G C 0.226 175.350 174.900 0.373 0.000 0.989 51 G CA 0.094 45.293 45.100 0.164 0.000 0.682 51 G HN 0.513 nan 8.290 nan 0.000 0.522 52 W N 0.282 121.723 121.300 0.235 0.000 3.197 52 W HA 0.444 5.104 4.660 -0.000 0.000 0.274 52 W C 1.057 177.712 176.519 0.226 0.000 1.297 52 W CA -0.186 57.302 57.345 0.239 0.000 1.662 52 W CB -0.025 29.617 29.460 0.304 0.000 1.106 52 W HN 0.141 nan 8.180 nan 0.000 0.663 53 R N 0.164 120.918 120.500 0.424 0.000 2.808 53 R HA 0.414 4.754 4.340 -0.000 0.000 0.272 53 R C -0.337 176.111 176.300 0.247 0.000 0.995 53 R CA -1.096 55.185 56.100 0.302 0.000 0.917 53 R CB 1.494 31.971 30.300 0.294 0.000 1.217 53 R HN -0.146 nan 8.270 nan 0.000 0.471 54 K N 0.699 121.214 120.400 0.192 0.000 2.118 54 K HA 0.219 4.539 4.320 -0.000 0.000 0.267 54 K C 0.880 177.590 176.600 0.184 0.000 0.991 54 K CA -0.318 56.075 56.287 0.177 0.000 0.916 54 K CB 0.898 33.476 32.500 0.130 0.000 1.041 54 K HN 0.431 nan 8.250 nan 0.000 0.455 55 F N 2.358 122.347 119.950 0.065 0.000 2.161 55 F HA -0.214 4.313 4.527 -0.000 0.000 0.300 55 F C 1.518 177.327 175.800 0.016 0.000 1.089 55 F CA 1.729 59.748 58.000 0.032 0.000 1.282 55 F CB 0.283 39.258 39.000 -0.043 0.000 1.010 55 F HN 0.650 nan 8.300 nan 0.000 0.485 56 E N 0.499 120.649 120.200 -0.083 0.000 2.153 56 E HA -0.195 4.155 4.350 -0.000 0.000 0.194 56 E C 1.827 178.341 176.600 -0.144 0.000 0.988 56 E CA 1.483 57.789 56.400 -0.156 0.000 0.811 56 E CB -0.367 29.333 29.700 0.000 0.000 0.746 56 E HN 0.468 nan 8.360 nan 0.000 0.466 57 D N 0.002 120.364 120.400 -0.062 0.000 2.123 57 D HA -0.085 4.555 4.640 -0.000 0.000 0.200 57 D C 1.692 177.974 176.300 -0.031 0.000 0.976 57 D CA 0.970 54.958 54.000 -0.021 0.000 0.831 57 D CB -0.022 40.798 40.800 0.034 0.000 0.974 57 D HN 0.380 nan 8.370 nan 0.000 0.469 58 I N -1.251 119.294 120.570 -0.042 0.000 3.855 58 I HA 0.180 4.350 4.170 -0.000 0.000 0.327 58 I C -0.047 176.053 176.117 -0.029 0.000 1.359 58 I CA -0.374 60.947 61.300 0.035 0.000 1.142 58 I CB 0.171 38.272 38.000 0.168 0.000 1.041 58 I HN -0.232 nan 8.210 nan 0.000 0.403 59 S N -0.036 115.549 115.700 -0.191 0.000 2.599 59 S HA 0.815 5.285 4.470 -0.000 0.000 0.287 59 S C -0.689 173.907 174.600 -0.008 0.000 1.105 59 S CA -0.658 57.435 58.200 -0.178 0.000 0.899 59 S CB 2.426 65.162 63.200 -0.773 0.000 1.100 59 S HN 0.015 nan 8.310 nan 0.000 0.482 60 V N 2.058 122.083 119.914 0.185 0.000 2.447 60 V HA 0.440 4.560 4.120 -0.000 0.000 0.292 60 V C -2.797 173.395 176.094 0.163 0.000 1.021 60 V CA -1.895 60.500 62.300 0.158 0.000 0.850 60 V CB 1.396 33.329 31.823 0.183 0.000 1.005 60 V HN 0.783 nan 8.190 nan 0.000 0.426 61 P HA 0.173 nan 4.420 nan 0.000 0.261 61 P C 0.851 178.133 177.300 -0.030 0.000 1.203 61 P CA 0.287 63.438 63.100 0.085 0.000 0.767 61 P CB 0.570 32.305 31.700 0.058 0.000 0.785 62 L N 2.788 123.919 121.223 -0.153 0.000 2.313 62 L HA -0.103 4.237 4.340 -0.000 0.000 0.214 62 L C 2.344 178.885 176.870 -0.547 0.000 1.119 62 L CA 1.090 55.656 54.840 -0.457 0.000 0.809 62 L CB -0.708 40.829 42.059 -0.870 0.000 0.933 62 L HN 0.345 nan 8.230 nan 0.000 0.449 63 A N 1.397 124.017 122.820 -0.334 0.000 1.873 63 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 63 A C -0.181 177.372 177.584 -0.052 0.000 1.193 63 A CA 1.949 53.940 52.037 -0.078 0.000 0.629 63 A CB -1.789 17.265 19.000 0.090 0.000 0.826 63 A HN 0.345 nan 8.150 nan 0.000 0.447 64 P HA 0.171 nan 4.420 nan 0.000 0.261 64 P C 0.990 178.217 177.300 -0.122 0.000 1.268 64 P CA 0.067 63.127 63.100 -0.067 0.000 0.833 64 P CB 0.339 32.010 31.700 -0.048 0.000 1.231 65 L N -0.393 120.745 121.223 -0.141 0.000 2.194 65 L HA 0.148 4.488 4.340 -0.000 0.000 0.197 65 L C 2.198 178.940 176.870 -0.212 0.000 1.106 65 L CA 1.244 55.980 54.840 -0.172 0.000 0.785 65 L CB -1.195 40.817 42.059 -0.078 0.000 0.960 65 L HN -0.264 nan 8.230 nan 0.000 0.465 66 L N 0.221 121.399 121.223 -0.074 0.000 2.081 66 L HA -0.168 4.172 4.340 -0.000 0.000 0.212 66 L C -0.355 176.516 176.870 0.003 0.000 1.080 66 L CA 1.276 56.159 54.840 0.070 0.000 0.754 66 L CB -2.128 39.996 42.059 0.108 0.000 0.893 66 L HN 0.281 nan 8.230 nan 0.000 0.433 67 P HA -0.189 nan 4.420 nan 0.000 0.218 67 P C 1.284 178.487 177.300 -0.162 0.000 1.148 67 P CA 1.322 64.391 63.100 -0.053 0.000 0.822 67 P CB -0.031 31.647 31.700 -0.037 0.000 0.784 68 K N -1.541 118.646 120.400 -0.356 0.000 2.281 68 K HA -0.109 4.211 4.320 -0.000 0.000 0.203 68 K C 0.580 176.809 176.600 -0.618 0.000 1.046 68 K CA 1.156 57.102 56.287 -0.569 0.000 0.938 68 K CB -0.406 31.577 32.500 -0.862 0.000 0.737 68 K HN 0.254 nan 8.250 nan 0.000 0.458 69 F N 0.436 120.339 119.950 -0.079 0.000 2.708 69 F HA 0.220 4.747 4.527 -0.000 0.000 0.300 69 F C -0.452 175.324 175.800 -0.040 0.000 1.118 69 F CA -0.907 57.036 58.000 -0.096 0.000 1.307 69 F CB -0.680 38.219 39.000 -0.169 0.000 0.986 69 F HN -0.011 nan 8.300 nan 0.000 0.522 70 N N 0.707 119.450 118.700 0.071 0.000 2.740 70 N HA -0.228 4.512 4.740 -0.000 0.000 0.248 70 N C -0.704 174.870 175.510 0.107 0.000 1.062 70 N CA 0.333 53.425 53.050 0.069 0.000 0.704 70 N CB -1.625 36.896 38.487 0.056 0.000 0.968 70 N HN 0.355 nan 8.380 nan 0.000 0.547 71 I N 0.258 120.909 120.570 0.136 0.000 2.404 71 I HA 0.179 4.349 4.170 -0.000 0.000 0.293 71 I C 0.505 176.719 176.117 0.162 0.000 0.992 71 I CA -0.660 60.737 61.300 0.162 0.000 1.149 71 I CB 1.675 39.800 38.000 0.209 0.000 1.315 71 I HN 0.122 nan 8.210 nan 0.000 0.446 72 E N 5.995 126.294 120.200 0.166 0.000 2.289 72 E HA 0.217 4.566 4.350 -0.000 0.000 0.278 72 E C -1.594 175.141 176.600 0.225 0.000 1.032 72 E CA -0.399 56.102 56.400 0.168 0.000 0.854 72 E CB 1.075 30.860 29.700 0.141 0.000 1.046 72 E HN 0.412 nan 8.360 nan 0.000 0.409 73 F N 5.757 125.742 119.950 0.059 0.000 2.426 73 F HA 0.434 4.961 4.527 -0.000 0.000 0.348 73 F C -0.871 174.957 175.800 0.047 0.000 1.124 73 F CA -0.784 57.248 58.000 0.053 0.000 1.008 73 F CB 0.703 39.735 39.000 0.053 0.000 1.139 73 F HN 0.356 nan 8.300 nan 0.000 0.452 74 I N 5.800 126.036 120.570 -0.557 0.000 2.359 74 I HA 0.162 4.332 4.170 -0.000 0.000 0.284 74 I C -0.259 175.390 176.117 -0.780 0.000 1.018 74 I CA -0.622 60.389 61.300 -0.481 0.000 1.173 74 I CB 0.997 38.870 38.000 -0.212 0.000 1.326 74 I HN 0.517 nan 8.210 nan 0.000 0.462 75 N N 6.877 125.174 118.700 -0.671 0.000 2.971 75 N HA 0.140 4.880 4.740 -0.000 0.000 0.294 75 N C -0.902 174.489 175.510 -0.197 0.000 1.210 75 N CA 0.358 53.144 53.050 -0.440 0.000 1.157 75 N CB -0.016 38.420 38.487 -0.085 0.000 1.450 75 N HN 0.561 nan 8.380 nan 0.000 0.527 76 E N 0.242 120.323 120.200 -0.199 0.000 2.352 76 E HA 0.122 4.472 4.350 -0.000 0.000 0.280 76 E C -1.072 175.478 176.600 -0.084 0.000 0.930 76 E CA -0.851 55.487 56.400 -0.103 0.000 0.765 76 E CB 1.985 31.634 29.700 -0.086 0.000 1.219 76 E HN 0.197 nan 8.360 nan 0.000 0.434 77 K N 1.413 121.784 120.400 -0.048 0.000 2.382 77 K HA 0.349 4.669 4.320 -0.000 0.000 0.275 77 K C -0.662 175.920 176.600 -0.031 0.000 1.009 77 K CA -0.043 56.224 56.287 -0.034 0.000 0.970 77 K CB 0.639 33.127 32.500 -0.019 0.000 0.934 77 K HN 0.532 nan 8.250 nan 0.000 0.479 78 A N 3.407 126.212 122.820 -0.025 0.000 2.331 78 A HA 0.098 4.418 4.320 -0.000 0.000 0.283 78 A C 0.744 178.323 177.584 -0.009 0.000 1.142 78 A CA -0.440 51.587 52.037 -0.016 0.000 0.812 78 A CB 0.959 19.951 19.000 -0.013 0.000 1.074 78 A HN 1.039 nan 8.150 nan 0.000 0.497 79 E N 1.466 121.663 120.200 -0.005 0.000 2.079 79 E HA 0.031 4.381 4.350 -0.000 0.000 0.191 79 E C 0.389 176.988 176.600 -0.001 0.000 0.961 79 E CA 1.236 57.635 56.400 -0.003 0.000 0.823 79 E CB 0.219 29.918 29.700 -0.003 0.000 0.789 79 E HN 0.769 nan 8.360 nan 0.000 0.459 80 S N -0.468 115.233 115.700 0.002 0.000 2.595 80 S HA 0.646 5.116 4.470 -0.000 0.000 0.281 80 S C -0.597 174.009 174.600 0.010 0.000 1.117 80 S CA -0.954 57.248 58.200 0.002 0.000 0.873 80 S CB 1.728 64.927 63.200 -0.000 0.000 1.108 80 S HN 0.164 nan 8.310 nan 0.000 0.477 81 I N 1.497 122.070 120.570 0.005 0.000 2.478 81 I HA 0.378 4.548 4.170 -0.000 0.000 0.287 81 I C -1.229 174.880 176.117 -0.014 0.000 1.042 81 I CA -0.347 60.964 61.300 0.018 0.000 1.067 81 I CB 1.920 39.931 38.000 0.018 0.000 1.233 81 I HN 0.712 nan 8.210 nan 0.000 0.431 82 D N 8.876 129.265 120.400 -0.018 0.000 2.427 82 D HA 0.268 4.908 4.640 -0.000 0.000 0.226 82 D C -1.893 174.346 176.300 -0.102 0.000 1.076 82 D CA -1.881 52.085 54.000 -0.056 0.000 0.849 82 D CB 2.392 43.167 40.800 -0.042 0.000 1.052 82 D HN 0.220 nan 8.370 nan 0.000 0.515 83 P HA -0.059 nan 4.420 nan 0.000 0.220 83 P C 0.418 177.578 177.300 -0.234 0.000 1.152 83 P CA 0.742 63.614 63.100 -0.381 0.000 0.812 83 P CB 0.637 31.697 31.700 -1.067 0.000 0.792 84 D N 0.832 121.181 120.400 -0.086 0.000 2.178 84 D HA -0.077 4.563 4.640 -0.000 0.000 0.202 84 D C 1.963 178.251 176.300 -0.020 0.000 0.974 84 D CA 1.405 55.441 54.000 0.061 0.000 0.841 84 D CB -0.527 40.320 40.800 0.078 0.000 0.953 84 D HN 0.167 nan 8.370 nan 0.000 0.478 85 A N 0.114 122.886 122.820 -0.081 0.000 2.275 85 A HA 0.071 4.391 4.320 -0.000 0.000 0.212 85 A C 0.406 177.850 177.584 -0.235 0.000 1.201 85 A CA -0.142 51.826 52.037 -0.115 0.000 0.843 85 A CB -0.000 18.948 19.000 -0.087 0.000 0.873 85 A HN 0.045 nan 8.150 nan 0.000 0.492 86 N N 0.293 118.781 118.700 -0.354 0.000 2.740 86 N HA -0.114 4.626 4.740 -0.000 0.000 0.248 86 N C -0.767 174.113 175.510 -1.050 0.000 1.062 86 N CA 1.586 54.087 53.050 -0.914 0.000 0.704 86 N CB -1.694 36.327 38.487 -0.777 0.000 0.968 86 N HN 0.459 nan 8.380 nan 0.000 0.547 87 T N -0.468 113.869 114.554 -0.361 0.000 2.848 87 T HA 0.581 4.931 4.350 -0.000 0.000 0.285 87 T C 0.185 174.945 174.700 0.100 0.000 0.995 87 T CA -0.523 61.518 62.100 -0.097 0.000 0.970 87 T CB 2.722 71.545 68.868 -0.076 0.000 0.976 87 T HN -0.095 nan 8.240 nan 0.000 0.441 88 V N 3.181 123.187 119.914 0.153 0.000 2.513 88 V HA 0.578 4.698 4.120 -0.000 0.000 0.299 88 V C 0.078 176.206 176.094 0.056 0.000 1.035 88 V CA -0.734 61.632 62.300 0.110 0.000 0.889 88 V CB 1.949 33.840 31.823 0.113 0.000 0.988 88 V HN 1.021 nan 8.190 nan 0.000 0.440 89 T N 2.472 117.045 114.554 0.030 0.000 2.779 89 T HA 0.348 4.698 4.350 -0.000 0.000 0.280 89 T C 0.059 174.763 174.700 0.008 0.000 0.987 89 T CA -0.277 61.832 62.100 0.016 0.000 0.966 89 T CB 1.478 70.350 68.868 0.007 0.000 0.933 89 T HN 0.690 nan 8.240 nan 0.000 0.442 90 T N 1.573 116.129 114.554 0.003 0.000 2.828 90 T HA 0.107 4.457 4.350 -0.000 0.000 0.290 90 T C 1.617 176.312 174.700 -0.008 0.000 1.019 90 T CA -0.269 61.826 62.100 -0.008 0.000 1.031 90 T CB 1.022 69.880 68.868 -0.017 0.000 1.001 90 T HN 0.789 nan 8.240 nan 0.000 0.531 91 Q N 1.264 121.056 119.800 -0.012 0.000 2.152 91 Q HA -0.134 4.206 4.340 -0.000 0.000 0.206 91 Q C 2.189 178.185 176.000 -0.007 0.000 0.985 91 Q CA 2.379 58.177 55.803 -0.009 0.000 0.863 91 Q CB -0.276 28.456 28.738 -0.011 0.000 0.904 91 Q HN 0.799 nan 8.270 nan 0.000 0.422 92 S N -1.851 113.843 115.700 -0.009 0.000 2.453 92 S HA 0.082 4.552 4.470 -0.000 0.000 0.231 92 S C 1.312 175.909 174.600 -0.004 0.000 1.005 92 S CA 0.650 58.846 58.200 -0.007 0.000 0.949 92 S CB 0.247 63.441 63.200 -0.008 0.000 0.774 92 S HN 0.699 nan 8.310 nan 0.000 0.510 93 G N 0.813 109.610 108.800 -0.004 0.000 2.155 93 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.135 93 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.135 93 G C -0.237 174.662 174.900 -0.000 0.000 1.023 93 G CA -0.143 44.956 45.100 -0.002 0.000 0.688 93 G HN 0.691 nan 8.290 nan 0.000 0.499 94 K N 1.298 121.697 120.400 -0.000 0.000 2.284 94 K HA 0.394 4.714 4.320 -0.000 0.000 0.287 94 K C 0.699 177.306 176.600 0.011 0.000 1.081 94 K CA -0.665 55.624 56.287 0.004 0.000 0.910 94 K CB 0.377 32.877 32.500 0.001 0.000 1.088 94 K HN 0.157 nan 8.250 nan 0.000 0.478 95 K N 5.812 126.219 120.400 0.011 0.000 2.379 95 K HA 0.100 4.420 4.320 -0.000 0.000 0.284 95 K C -0.991 175.629 176.600 0.033 0.000 1.044 95 K CA -0.095 56.201 56.287 0.016 0.000 0.974 95 K CB 0.339 32.842 32.500 0.005 0.000 0.962 95 K HN 0.574 nan 8.250 nan 0.000 0.474 96 I N 4.378 124.980 120.570 0.053 0.000 2.439 96 I HA 0.154 4.324 4.170 -0.000 0.000 0.285 96 I C -0.420 175.767 176.117 0.116 0.000 1.021 96 I CA -0.601 60.757 61.300 0.097 0.000 1.091 96 I CB 1.881 39.950 38.000 0.116 0.000 1.242 96 I HN 0.547 nan 8.210 nan 0.000 0.439 97 E N 5.974 126.241 120.200 0.111 0.000 2.354 97 E HA 0.358 4.708 4.350 -0.000 0.000 0.269 97 E C -1.257 175.457 176.600 0.190 0.000 1.036 97 E CA -0.340 56.092 56.400 0.054 0.000 0.876 97 E CB 0.939 30.654 29.700 0.024 0.000 1.009 97 E HN 0.534 nan 8.360 nan 0.000 0.416 98 Y N -0.843 119.498 120.300 0.068 0.000 2.602 98 Y HA 0.438 4.988 4.550 -0.000 0.000 0.342 98 Y C -0.025 175.877 175.900 0.004 0.000 1.029 98 Y CA -1.034 57.086 58.100 0.033 0.000 1.080 98 Y CB 1.257 39.683 38.460 -0.057 0.000 1.284 98 Y HN 0.306 nan 8.280 nan 0.000 0.485 99 D N -0.121 120.441 120.400 0.270 0.000 2.379 99 D HA 0.067 4.707 4.640 -0.000 0.000 0.218 99 D C -0.928 175.277 176.300 -0.158 0.000 1.006 99 D CA 1.163 55.161 54.000 -0.004 0.000 0.893 99 D CB 0.441 41.202 40.800 -0.066 0.000 1.019 99 D HN 0.466 nan 8.370 nan 0.000 0.503 100 Y N 0.102 120.617 120.300 0.358 0.000 2.470 100 Y HA 0.397 4.947 4.550 -0.000 0.000 0.341 100 Y C -0.761 175.001 175.900 -0.229 0.000 1.021 100 Y CA -1.002 57.209 58.100 0.186 0.000 1.025 100 Y CB 1.919 40.475 38.460 0.160 0.000 1.266 100 Y HN -0.264 nan 8.280 nan 0.000 0.448 101 L N 3.757 124.796 121.223 -0.307 0.000 2.305 101 L HA 0.768 5.108 4.340 -0.000 0.000 0.284 101 L C -1.389 175.419 176.870 -0.104 0.000 1.013 101 L CA -0.616 53.869 54.840 -0.592 0.000 0.819 101 L CB 1.270 42.681 42.059 -1.080 0.000 1.227 101 L HN 0.472 nan 8.230 nan 0.000 0.417 102 V N 7.023 126.887 119.914 -0.083 0.000 2.333 102 V HA 0.377 4.497 4.120 -0.000 0.000 0.274 102 V C 0.249 176.335 176.094 -0.014 0.000 1.028 102 V CA -0.369 61.942 62.300 0.018 0.000 0.851 102 V CB 1.143 32.966 31.823 0.000 0.000 1.000 102 V HN 0.575 nan 8.190 nan 0.000 0.456 103 I N 4.623 125.205 120.570 0.021 0.000 2.301 103 I HA 0.504 4.674 4.170 -0.000 0.000 0.292 103 I C 0.723 176.860 176.117 0.033 0.000 1.046 103 I CA 0.051 61.357 61.300 0.009 0.000 1.282 103 I CB 1.114 39.117 38.000 0.006 0.000 1.409 103 I HN 0.668 nan 8.210 nan 0.000 0.484 104 A N 3.649 126.480 122.820 0.017 0.000 2.806 104 A HA 0.198 4.518 4.320 -0.000 0.000 0.266 104 A C 1.205 178.796 177.584 0.011 0.000 0.926 104 A CA -0.213 51.838 52.037 0.024 0.000 1.068 104 A CB -0.329 18.685 19.000 0.024 0.000 1.189 104 A HN 0.727 nan 8.150 nan 0.000 0.481 105 T N -3.212 111.342 114.554 -0.001 0.000 3.035 105 T HA 0.374 4.724 4.350 -0.000 0.000 0.268 105 T C 1.457 176.136 174.700 -0.035 0.000 1.109 105 T CA 1.341 63.433 62.100 -0.013 0.000 1.119 105 T CB -0.385 68.472 68.868 -0.018 0.000 0.900 105 T HN 2.047 nan 8.240 nan 0.000 0.503 106 G N 2.205 110.979 108.800 -0.043 0.000 2.569 106 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.259 106 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.259 106 G C -2.809 171.992 174.900 -0.165 0.000 1.263 106 G CA -0.415 44.626 45.100 -0.098 0.000 0.928 106 G HN 0.622 nan 8.290 nan 0.000 0.572 107 P HA 0.522 nan 4.420 nan 0.000 0.282 107 P C -0.778 176.373 177.300 -0.249 0.000 1.249 107 P CA -0.343 62.481 63.100 -0.460 0.000 0.806 107 P CB 1.501 32.491 31.700 -1.183 0.000 0.984 108 K N 3.178 123.491 120.400 -0.146 0.000 2.293 108 K HA 0.387 4.707 4.320 -0.000 0.000 0.267 108 K C -0.939 175.643 176.600 -0.030 0.000 1.010 108 K CA -0.437 55.814 56.287 -0.059 0.000 0.875 108 K CB -0.225 32.263 32.500 -0.021 0.000 1.106 108 K HN 0.344 nan 8.250 nan 0.000 0.450 109 L N 3.925 125.126 121.223 -0.038 0.000 2.367 109 L HA 0.376 4.716 4.340 -0.000 0.000 0.275 109 L C -0.361 176.404 176.870 -0.175 0.000 1.129 109 L CA -0.926 53.842 54.840 -0.121 0.000 0.839 109 L CB 1.160 43.073 42.059 -0.243 0.000 1.133 109 L HN 0.256 nan 8.230 nan 0.000 0.453 110 V N 4.146 123.911 119.914 -0.249 0.000 2.326 110 V HA 0.235 4.355 4.120 -0.000 0.000 0.281 110 V C -0.317 175.607 176.094 -0.283 0.000 1.015 110 V CA -0.280 61.919 62.300 -0.168 0.000 0.823 110 V CB 0.974 32.755 31.823 -0.070 0.000 1.009 110 V HN 0.428 nan 8.190 nan 0.000 0.436 111 F N 3.573 123.507 119.950 -0.027 0.000 2.626 111 F HA 0.316 4.843 4.527 -0.000 0.000 0.353 111 F C 1.700 177.463 175.800 -0.061 0.000 1.230 111 F CA -0.261 57.705 58.000 -0.056 0.000 1.298 111 F CB 0.411 39.372 39.000 -0.064 0.000 1.670 111 F HN 0.568 nan 8.300 nan 0.000 0.633 112 G N 0.943 109.756 108.800 0.021 0.000 2.744 112 G HA2 0.168 4.128 3.960 -0.000 0.000 0.211 112 G HA3 0.168 4.128 3.960 -0.000 0.000 0.211 112 G C 0.731 175.620 174.900 -0.019 0.000 1.143 112 G CA 0.299 45.397 45.100 -0.003 0.000 0.788 112 G HN 0.563 nan 8.290 nan 0.000 0.534 113 A N 0.320 123.121 122.820 -0.032 0.000 2.331 113 A HA 0.568 4.888 4.320 -0.000 0.000 0.283 113 A C 0.086 177.635 177.584 -0.059 0.000 1.142 113 A CA -0.527 51.465 52.037 -0.074 0.000 0.812 113 A CB 0.590 19.495 19.000 -0.158 0.000 1.074 113 A HN 0.220 nan 8.150 nan 0.000 0.497 114 E N 1.393 121.555 120.200 -0.063 0.000 2.729 114 E HA 0.290 4.640 4.350 -0.000 0.000 0.246 114 E C 1.314 177.875 176.600 -0.066 0.000 0.984 114 E CA 1.738 58.105 56.400 -0.054 0.000 0.951 114 E CB -0.326 29.343 29.700 -0.052 0.000 0.914 114 E HN 1.540 nan 8.360 nan 0.000 0.509 115 G N 3.774 112.540 108.800 -0.055 0.000 2.168 115 G HA2 -0.432 3.528 3.960 -0.000 0.000 0.257 115 G HA3 -0.432 3.528 3.960 -0.000 0.000 0.257 115 G C 0.855 175.699 174.900 -0.093 0.000 0.997 115 G CA 0.686 45.744 45.100 -0.069 0.000 0.708 115 G HN 0.650 nan 8.290 nan 0.000 0.520 116 Q N -0.346 119.406 119.800 -0.080 0.000 2.124 116 Q HA -0.102 4.238 4.340 -0.000 0.000 0.202 116 Q C 2.209 178.102 176.000 -0.178 0.000 0.977 116 Q CA 1.861 57.614 55.803 -0.083 0.000 0.850 116 Q CB -0.087 28.660 28.738 0.015 0.000 0.901 116 Q HN 0.748 nan 8.270 nan 0.000 0.429 117 E N -0.236 119.815 120.200 -0.248 0.000 2.150 117 E HA -0.199 4.151 4.350 -0.000 0.000 0.193 117 E C 1.381 177.773 176.600 -0.346 0.000 0.985 117 E CA 1.421 57.498 56.400 -0.538 0.000 0.814 117 E CB 0.267 29.732 29.700 -0.391 0.000 0.752 117 E HN 0.382 nan 8.360 nan 0.000 0.466 118 E N 0.145 120.226 120.200 -0.199 0.000 2.022 118 E HA -0.032 4.318 4.350 -0.000 0.000 0.190 118 E C 1.896 178.420 176.600 -0.127 0.000 0.973 118 E CA 1.099 57.415 56.400 -0.139 0.000 0.816 118 E CB -0.161 29.482 29.700 -0.095 0.000 0.781 118 E HN 0.180 nan 8.360 nan 0.000 0.456 119 N N 0.517 119.150 118.700 -0.113 0.000 2.142 119 N HA -0.067 4.673 4.740 -0.000 0.000 0.186 119 N C 1.105 176.547 175.510 -0.113 0.000 1.023 119 N CA 0.611 53.604 53.050 -0.094 0.000 0.852 119 N CB -0.178 38.259 38.487 -0.083 0.000 0.998 119 N HN -0.002 nan 8.380 nan 0.000 0.424 120 S N -0.286 115.333 115.700 -0.136 0.000 2.652 120 S HA 0.313 4.783 4.470 -0.000 0.000 0.267 120 S C 0.175 174.679 174.600 -0.161 0.000 1.201 120 S CA -0.528 57.587 58.200 -0.143 0.000 0.996 120 S CB 0.802 63.960 63.200 -0.071 0.000 1.054 120 S HN 0.419 nan 8.310 nan 0.000 0.561 121 T N -0.623 113.827 114.554 -0.172 0.000 2.906 121 T HA 0.760 5.110 4.350 -0.000 0.000 0.295 121 T C -0.703 173.931 174.700 -0.110 0.000 1.075 121 T CA -0.677 61.342 62.100 -0.135 0.000 1.005 121 T CB 1.390 70.184 68.868 -0.125 0.000 1.136 121 T HN 0.741 nan 8.240 nan 0.000 0.498 122 S N 0.423 116.066 115.700 -0.095 0.000 2.627 122 S HA 0.632 5.102 4.470 -0.000 0.000 0.283 122 S C 0.344 174.893 174.600 -0.086 0.000 1.127 122 S CA -0.942 57.205 58.200 -0.090 0.000 0.863 122 S CB 1.203 64.400 63.200 -0.005 0.000 1.121 122 S HN 1.245 nan 8.310 nan 0.000 0.479 123 I N -2.480 118.033 120.570 -0.095 0.000 4.009 123 I HA 0.395 4.565 4.170 -0.000 0.000 0.331 123 I C 0.747 176.921 176.117 0.094 0.000 1.462 123 I CA -0.358 60.916 61.300 -0.043 0.000 1.117 123 I CB -0.271 37.646 38.000 -0.138 0.000 1.091 123 I HN 0.523 nan 8.210 nan 0.000 0.410 124 C N 1.708 121.071 119.300 0.106 0.000 2.562 124 C HA 0.166 4.626 4.460 -0.000 0.000 0.266 124 C C 1.432 176.549 174.990 0.213 0.000 1.382 124 C CA 1.169 60.302 59.018 0.193 0.000 1.742 124 C CB -1.093 26.739 27.740 0.153 0.000 1.812 124 C HN 0.730 nan 8.230 nan 0.000 0.559 125 T N -3.636 110.957 114.554 0.065 0.000 2.912 125 T HA 0.598 4.947 4.350 -0.000 0.000 0.299 125 T C 0.780 175.157 174.700 -0.537 0.000 1.052 125 T CA 0.094 62.119 62.100 -0.126 0.000 0.996 125 T CB 1.648 70.559 68.868 0.071 0.000 1.070 125 T HN 0.021 nan 8.240 nan 0.000 0.465 126 A N 1.837 124.070 122.820 -0.978 0.000 1.940 126 A HA -0.205 4.115 4.320 -0.000 0.000 0.221 126 A C 2.000 179.370 177.584 -0.357 0.000 1.190 126 A CA 2.459 54.064 52.037 -0.719 0.000 0.647 126 A CB -1.108 17.760 19.000 -0.220 0.000 0.821 126 A HN 0.951 nan 8.150 nan 0.000 0.457 127 E N -0.715 119.323 120.200 -0.271 0.000 2.012 127 E HA -0.192 4.158 4.350 -0.000 0.000 0.197 127 E C 2.081 178.546 176.600 -0.225 0.000 1.007 127 E CA 1.641 57.886 56.400 -0.259 0.000 0.816 127 E CB -0.460 29.075 29.700 -0.276 0.000 0.762 127 E HN 0.734 nan 8.360 nan 0.000 0.451 128 H N -0.343 118.657 119.070 -0.116 0.000 2.387 128 H HA -0.026 4.530 4.556 -0.000 0.000 0.299 128 H C 1.979 177.253 175.328 -0.091 0.000 1.099 128 H CA 1.408 57.409 56.048 -0.079 0.000 1.315 128 H CB -0.332 29.418 29.762 -0.021 0.000 1.380 128 H HN 0.235 nan 8.280 nan 0.000 0.513 129 A N 0.994 123.803 122.820 -0.017 0.000 1.877 129 A HA -0.107 4.213 4.320 -0.000 0.000 0.216 129 A C 2.687 180.264 177.584 -0.011 0.000 1.186 129 A CA 1.024 53.041 52.037 -0.033 0.000 0.620 129 A CB -0.889 18.063 19.000 -0.079 0.000 0.822 129 A HN 0.282 nan 8.150 nan 0.000 0.443 130 L N -0.451 120.740 121.223 -0.053 0.000 2.191 130 L HA -0.172 4.168 4.340 -0.000 0.000 0.212 130 L C 2.565 179.422 176.870 -0.022 0.000 1.103 130 L CA 1.104 55.921 54.840 -0.037 0.000 0.769 130 L CB -0.381 41.617 42.059 -0.102 0.000 0.908 130 L HN 0.360 nan 8.230 nan 0.000 0.438 131 E N -0.392 119.791 120.200 -0.028 0.000 2.072 131 E HA -0.125 4.225 4.350 -0.000 0.000 0.190 131 E C 2.205 178.829 176.600 0.039 0.000 0.982 131 E CA 1.644 58.041 56.400 -0.006 0.000 0.803 131 E CB -0.304 29.387 29.700 -0.015 0.000 0.755 131 E HN 0.454 nan 8.360 nan 0.000 0.453 132 T N 1.627 116.215 114.554 0.057 0.000 2.881 132 T HA -0.193 4.157 4.350 -0.000 0.000 0.270 132 T C 1.815 176.584 174.700 0.115 0.000 1.068 132 T CA 1.436 63.603 62.100 0.111 0.000 1.131 132 T CB -0.084 68.823 68.868 0.065 0.000 0.871 132 T HN 0.054 nan 8.240 nan 0.000 0.479 133 Q N 1.832 121.676 119.800 0.073 0.000 2.050 133 Q HA -0.065 4.275 4.340 -0.000 0.000 0.202 133 Q C 2.060 178.083 176.000 0.039 0.000 0.980 133 Q CA 1.705 57.546 55.803 0.064 0.000 0.840 133 Q CB -0.221 28.558 28.738 0.068 0.000 0.898 133 Q HN 0.440 nan 8.270 nan 0.000 0.424 134 K N -0.092 120.328 120.400 0.034 0.000 2.057 134 K HA -0.096 4.224 4.320 -0.000 0.000 0.206 134 K C 2.217 178.823 176.600 0.011 0.000 1.050 134 K CA 1.292 57.592 56.287 0.022 0.000 0.935 134 K CB -0.108 32.402 32.500 0.016 0.000 0.715 134 K HN 0.115 nan 8.250 nan 0.000 0.439 135 K N 1.003 121.430 120.400 0.046 0.000 2.217 135 K HA -0.004 4.316 4.320 -0.000 0.000 0.202 135 K C 2.020 178.617 176.600 -0.004 0.000 1.051 135 K CA 0.525 56.864 56.287 0.086 0.000 0.952 135 K CB 0.101 32.715 32.500 0.190 0.000 0.736 135 K HN 0.072 nan 8.250 nan 0.000 0.453 136 L N 0.505 121.646 121.223 -0.135 0.000 2.141 136 L HA -0.186 4.154 4.340 -0.000 0.000 0.209 136 L C 2.405 178.784 176.870 -0.819 0.000 1.094 136 L CA 0.913 55.395 54.840 -0.596 0.000 0.763 136 L CB -0.137 41.642 42.059 -0.466 0.000 0.908 136 L HN 0.187 nan 8.230 nan 0.000 0.437 137 Q N 0.161 119.743 119.800 -0.363 0.000 2.124 137 Q HA -0.269 4.071 4.340 -0.000 0.000 0.202 137 Q C 2.002 177.913 176.000 -0.150 0.000 0.977 137 Q CA 1.708 57.417 55.803 -0.156 0.000 0.850 137 Q CB -0.045 28.711 28.738 0.030 0.000 0.901 137 Q HN 0.399 nan 8.270 nan 0.000 0.429 138 E N -0.759 119.354 120.200 -0.144 0.000 2.077 138 E HA -0.211 4.139 4.350 -0.000 0.000 0.193 138 E C 1.809 178.341 176.600 -0.114 0.000 0.989 138 E CA 1.004 57.357 56.400 -0.079 0.000 0.800 138 E CB -0.133 29.549 29.700 -0.029 0.000 0.746 138 E HN 0.349 nan 8.360 nan 0.000 0.452 139 L N 0.439 121.509 121.223 -0.256 0.000 1.989 139 L HA -0.232 4.107 4.340 -0.000 0.000 0.211 139 L C 2.035 178.820 176.870 -0.142 0.000 1.071 139 L CA 1.828 56.512 54.840 -0.260 0.000 0.749 139 L CB -0.675 41.077 42.059 -0.512 0.000 0.890 139 L HN 0.286 nan 8.230 nan 0.000 0.431 140 Y N -0.874 119.373 120.300 -0.088 0.000 2.256 140 Y HA -0.272 4.278 4.550 -0.000 0.000 0.288 140 Y C 2.445 178.321 175.900 -0.039 0.000 1.155 140 Y CA 0.499 58.560 58.100 -0.064 0.000 1.203 140 Y CB -0.599 37.829 38.460 -0.053 0.000 0.980 140 Y HN 0.383 nan 8.280 nan 0.000 0.530 141 A N 0.130 123.010 122.820 0.100 0.000 1.874 141 A HA -0.044 4.276 4.320 -0.000 0.000 0.214 141 A C 0.798 178.398 177.584 0.028 0.000 1.189 141 A CA 0.812 52.883 52.037 0.057 0.000 0.615 141 A CB -0.217 18.808 19.000 0.041 0.000 0.830 141 A HN 0.336 nan 8.150 nan 0.000 0.443 142 N N 1.148 119.854 118.700 0.010 0.000 2.776 142 N HA 0.294 5.034 4.740 -0.000 0.000 0.245 142 N C -3.150 172.356 175.510 -0.005 0.000 1.121 142 N CA -1.093 51.958 53.050 0.002 0.000 0.852 142 N CB 1.132 39.621 38.487 0.004 0.000 1.142 142 N HN 0.113 nan 8.380 nan 0.000 0.514 143 P HA 0.185 nan 4.420 nan 0.000 0.270 143 P C 0.185 177.475 177.300 -0.018 0.000 1.242 143 P CA 0.093 63.182 63.100 -0.019 0.000 0.768 143 P CB 0.991 32.667 31.700 -0.040 0.000 0.820 144 G N 3.761 112.563 108.800 0.003 0.000 2.866 144 G HA2 0.605 4.565 3.960 -0.000 0.000 0.289 144 G HA3 0.605 4.565 3.960 -0.000 0.000 0.289 144 G C -3.137 171.789 174.900 0.042 0.000 1.396 144 G CA -1.711 43.400 45.100 0.018 0.000 0.848 144 G HN 0.181 nan 8.290 nan 0.000 0.515 145 P HA 0.242 nan 4.420 nan 0.000 0.267 145 P C -0.374 176.995 177.300 0.116 0.000 1.209 145 P CA 0.023 63.166 63.100 0.070 0.000 0.763 145 P CB 1.328 33.065 31.700 0.061 0.000 0.816 146 V N 5.104 125.097 119.914 0.132 0.000 2.472 146 V HA 0.275 4.395 4.120 -0.000 0.000 0.290 146 V C 0.324 176.513 176.094 0.159 0.000 1.037 146 V CA -0.507 61.918 62.300 0.209 0.000 0.908 146 V CB 2.047 33.999 31.823 0.216 0.000 0.985 146 V HN 0.263 nan 8.190 nan 0.000 0.454 147 V N 6.870 126.876 119.914 0.152 0.000 2.409 147 V HA 0.519 4.639 4.120 -0.000 0.000 0.290 147 V C -0.340 175.715 176.094 -0.066 0.000 1.017 147 V CA -0.289 62.068 62.300 0.095 0.000 0.841 147 V CB 1.507 33.439 31.823 0.181 0.000 1.003 147 V HN 0.662 nan 8.190 nan 0.000 0.426 148 I N 3.525 123.964 120.570 -0.218 0.000 2.562 148 I HA 0.965 5.135 4.170 -0.000 0.000 0.301 148 I C 0.785 176.181 176.117 -1.202 0.000 1.003 148 I CA -0.177 60.786 61.300 -0.562 0.000 1.127 148 I CB 2.189 40.172 38.000 -0.029 0.000 1.304 148 I HN 0.781 nan 8.210 nan 0.000 0.446 149 G N 3.231 111.011 108.800 -1.700 0.000 2.392 149 G HA2 0.647 4.607 3.960 -0.000 0.000 0.260 149 G HA3 0.647 4.607 3.960 -0.000 0.000 0.260 149 G C -2.169 172.234 174.900 -0.830 0.000 1.226 149 G CA 0.068 44.264 45.100 -1.507 0.000 0.913 149 G HN 0.870 nan 8.290 nan 0.000 0.483 150 A N -0.125 122.574 122.820 -0.201 0.000 2.437 150 A HA 0.713 5.033 4.320 -0.000 0.000 0.293 150 A C 0.024 177.689 177.584 0.135 0.000 1.038 150 A CA -0.212 51.832 52.037 0.013 0.000 0.708 150 A CB 0.570 19.519 19.000 -0.085 0.000 1.251 150 A HN 1.887 nan 8.150 nan 0.000 0.409 151 I N -0.085 120.540 120.570 0.092 0.000 3.327 151 I HA 0.475 4.645 4.170 -0.000 0.000 0.280 151 I C -2.410 173.691 176.117 -0.026 0.000 1.207 151 I CA -1.974 59.325 61.300 -0.001 0.000 1.280 151 I CB 0.193 38.154 38.000 -0.066 0.000 1.417 151 I HN 0.260 nan 8.210 nan 0.000 0.639 152 P HA 0.174 nan 4.420 nan 0.000 0.267 152 P C 0.467 177.738 177.300 -0.048 0.000 1.205 152 P CA 0.754 63.846 63.100 -0.014 0.000 0.765 152 P CB 0.830 32.524 31.700 -0.010 0.000 0.828 153 G N 1.204 109.981 108.800 -0.039 0.000 2.179 153 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.220 153 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.220 153 G C 0.078 174.878 174.900 -0.167 0.000 0.990 153 G CA -0.351 44.707 45.100 -0.070 0.000 0.646 153 G HN 0.517 nan 8.290 nan 0.000 0.517 154 V N 1.993 121.759 119.914 -0.246 0.000 2.740 154 V HA 0.522 4.642 4.120 -0.000 0.000 0.303 154 V C 1.111 176.882 176.094 -0.538 0.000 1.054 154 V CA 0.823 62.779 62.300 -0.573 0.000 1.106 154 V CB 1.395 32.738 31.823 -0.800 0.000 0.957 154 V HN 1.023 nan 8.190 nan 0.000 0.486 158 G N 2.618 111.707 108.800 0.481 0.000 2.649 158 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.220 158 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.220 158 G C -0.854 174.269 174.900 0.373 0.000 1.189 158 G CA 1.964 47.249 45.100 0.308 0.000 0.777 158 G HN 0.248 nan 8.290 nan 0.000 0.602 159 P HA -0.013 nan 4.420 nan 0.000 0.219 159 P C 2.035 179.528 177.300 0.321 0.000 1.146 159 P CA 1.839 65.089 63.100 0.250 0.000 0.808 159 P CB -0.141 31.659 31.700 0.167 0.000 0.779 160 A N -1.510 121.510 122.820 0.334 0.000 1.872 160 A HA -0.189 4.131 4.320 -0.000 0.000 0.214 160 A C 1.998 179.902 177.584 0.534 0.000 1.187 160 A CA 1.259 53.517 52.037 0.368 0.000 0.614 160 A CB -1.820 17.312 19.000 0.221 0.000 0.826 160 A HN 0.103 nan 8.150 nan 0.000 0.442 161 Y N -0.124 120.481 120.300 0.509 0.000 2.128 161 Y HA -0.217 4.333 4.550 -0.000 0.000 0.284 161 Y C 2.497 178.610 175.900 0.354 0.000 1.154 161 Y CA 1.845 60.127 58.100 0.304 0.000 1.149 161 Y CB -0.380 38.236 38.460 0.259 0.000 0.976 161 Y HN 0.471 nan 8.280 nan 0.000 0.505 162 E N -0.399 120.119 120.200 0.531 0.000 2.051 162 E HA -0.256 4.094 4.350 -0.000 0.000 0.192 162 E C 2.014 178.833 176.600 0.366 0.000 0.991 162 E CA 1.279 57.941 56.400 0.435 0.000 0.799 162 E CB -0.384 29.508 29.700 0.321 0.000 0.748 162 E HN 0.480 nan 8.360 nan 0.000 0.449 163 F N 0.503 120.583 119.950 0.217 0.000 2.234 163 F HA -0.082 4.445 4.527 -0.000 0.000 0.299 163 F C 1.987 177.889 175.800 0.172 0.000 1.087 163 F CA 1.189 59.277 58.000 0.146 0.000 1.340 163 F CB -0.036 39.041 39.000 0.129 0.000 1.031 163 F HN 0.075 nan 8.300 nan 0.000 0.500 164 A N 0.248 123.189 122.820 0.202 0.000 1.929 164 A HA -0.069 4.250 4.320 -0.000 0.000 0.216 164 A C 2.103 179.694 177.584 0.012 0.000 1.176 164 A CA 1.521 53.604 52.037 0.078 0.000 0.628 164 A CB -0.886 18.206 19.000 0.152 0.000 0.816 164 A HN 0.471 nan 8.150 nan 0.000 0.444 165 L N -1.582 119.712 121.223 0.120 0.000 2.162 165 L HA -0.024 4.316 4.340 -0.000 0.000 0.205 165 L C 2.729 179.749 176.870 0.251 0.000 1.086 165 L CA 0.845 55.789 54.840 0.173 0.000 0.778 165 L CB -0.373 41.802 42.059 0.194 0.000 0.928 165 L HN 0.336 nan 8.230 nan 0.000 0.446 166 M N -0.679 119.036 119.600 0.191 0.000 2.108 166 M HA -0.243 4.237 4.480 -0.000 0.000 0.261 166 M C 2.243 178.628 176.300 0.140 0.000 1.066 166 M CA 1.745 57.178 55.300 0.221 0.000 1.107 166 M CB -0.315 32.271 32.600 -0.023 0.000 1.356 166 M HN 0.204 nan 8.290 nan 0.000 0.406 167 L N -0.524 120.610 121.223 -0.149 0.000 2.056 167 L HA -0.210 4.130 4.340 -0.000 0.000 0.207 167 L C 2.428 179.307 176.870 0.015 0.000 1.078 167 L CA 2.181 56.912 54.840 -0.182 0.000 0.749 167 L CB -0.887 40.913 42.059 -0.432 0.000 0.901 167 L HN 0.343 nan 8.230 nan 0.000 0.433 168 H N -1.743 117.319 119.070 -0.014 0.000 2.319 168 H HA -0.315 4.241 4.556 -0.000 0.000 0.297 168 H C 2.115 177.498 175.328 0.093 0.000 1.097 168 H CA 2.489 58.552 56.048 0.025 0.000 1.285 168 H CB -0.658 29.105 29.762 0.002 0.000 1.368 168 H HN 0.510 nan 8.280 nan 0.000 0.495 169 Y N 1.143 121.425 120.300 -0.030 0.000 2.081 169 Y HA -0.292 4.258 4.550 -0.000 0.000 0.280 169 Y C 2.596 178.479 175.900 -0.027 0.000 1.163 169 Y CA 2.405 60.488 58.100 -0.029 0.000 1.135 169 Y CB -0.561 37.990 38.460 0.152 0.000 0.970 169 Y HN 0.420 nan 8.280 nan 0.000 0.498 170 E N 0.039 120.242 120.200 0.005 0.000 2.077 170 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 170 E C 1.937 178.425 176.600 -0.186 0.000 0.989 170 E CA 1.533 57.888 56.400 -0.075 0.000 0.800 170 E CB -0.561 29.206 29.700 0.111 0.000 0.746 170 E HN 0.419 nan 8.360 nan 0.000 0.452 171 L N 1.063 122.212 121.223 -0.124 0.000 2.042 171 L HA -0.139 4.201 4.340 -0.000 0.000 0.210 171 L C 2.187 178.969 176.870 -0.148 0.000 1.076 171 L CA 1.770 56.549 54.840 -0.101 0.000 0.749 171 L CB -0.885 41.152 42.059 -0.037 0.000 0.893 171 L HN 0.141 nan 8.230 nan 0.000 0.432 172 K N -0.732 119.520 120.400 -0.246 0.000 2.026 172 K HA -0.164 4.156 4.320 -0.000 0.000 0.208 172 K C 2.031 178.495 176.600 -0.227 0.000 1.048 172 K CA 0.936 57.081 56.287 -0.237 0.000 0.929 172 K CB -0.059 32.248 32.500 -0.323 0.000 0.713 172 K HN 0.113 nan 8.250 nan 0.000 0.439 173 K N 0.755 120.955 120.400 -0.332 0.000 2.211 173 K HA -0.123 4.197 4.320 -0.000 0.000 0.204 173 K C 1.754 178.237 176.600 -0.195 0.000 1.047 173 K CA 1.226 57.332 56.287 -0.301 0.000 0.935 173 K CB -0.064 32.186 32.500 -0.418 0.000 0.728 173 K HN 0.190 nan 8.250 nan 0.000 0.452 174 R N -0.617 119.774 120.500 -0.182 0.000 2.334 174 R HA 0.077 4.417 4.340 -0.000 0.000 0.216 174 R C 0.758 177.019 176.300 -0.066 0.000 0.905 174 R CA 0.486 56.505 56.100 -0.135 0.000 1.064 174 R CB 0.357 30.546 30.300 -0.184 0.000 1.046 174 R HN 0.243 nan 8.270 nan 0.000 0.508 175 G N 2.484 111.249 108.800 -0.058 0.000 2.225 175 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.267 175 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.267 175 G C 0.540 175.516 174.900 0.126 0.000 1.024 175 G CA 0.799 45.903 45.100 0.008 0.000 0.784 175 G HN 0.562 nan 8.290 nan 0.000 0.507 176 I N -3.747 116.878 120.570 0.093 0.000 4.102 176 I HA 0.480 4.650 4.170 -0.000 0.000 0.325 176 I C 1.752 177.904 176.117 0.058 0.000 1.471 176 I CA -0.020 61.343 61.300 0.105 0.000 1.133 176 I CB 0.384 38.398 38.000 0.023 0.000 1.184 176 I HN 0.007 nan 8.210 nan 0.000 0.451 177 R N 2.449 123.004 120.500 0.092 0.000 2.200 177 R HA -0.214 4.125 4.340 -0.000 0.000 0.234 177 R C 1.829 178.208 176.300 0.130 0.000 1.127 177 R CA 2.285 58.431 56.100 0.077 0.000 0.989 177 R CB -0.960 29.355 30.300 0.025 0.000 0.869 177 R HN 0.801 nan 8.270 nan 0.000 0.459 178 Y N -1.857 118.450 120.300 0.011 0.000 2.529 178 Y HA 0.329 4.879 4.550 -0.000 0.000 0.290 178 Y C 0.654 176.566 175.900 0.020 0.000 1.177 178 Y CA -0.022 58.090 58.100 0.019 0.000 1.305 178 Y CB 0.211 38.678 38.460 0.013 0.000 1.047 178 Y HN -0.079 nan 8.280 nan 0.000 0.522 179 K N 0.479 120.629 120.400 -0.417 0.000 2.374 179 K HA 0.299 4.619 4.320 -0.000 0.000 0.202 179 K C -0.648 175.871 176.600 -0.135 0.000 1.040 179 K CA 0.030 56.104 56.287 -0.355 0.000 1.085 179 K CB 1.474 33.723 32.500 -0.418 0.000 0.873 179 K HN 0.094 nan 8.250 nan 0.000 0.539 180 V N 3.366 123.243 119.914 -0.061 0.000 2.320 180 V HA 0.209 4.329 4.120 -0.000 0.000 0.268 180 V C -2.669 173.442 176.094 0.029 0.000 1.021 180 V CA -2.063 60.234 62.300 -0.005 0.000 0.813 180 V CB 0.723 32.552 31.823 0.011 0.000 1.054 180 V HN -0.029 nan 8.190 nan 0.000 0.444 181 P HA 0.178 nan 4.420 nan 0.000 0.262 181 P C -0.204 177.128 177.300 0.053 0.000 1.199 181 P CA 0.533 63.656 63.100 0.039 0.000 0.763 181 P CB 0.324 32.045 31.700 0.034 0.000 0.790 182 M N 2.943 122.571 119.600 0.046 0.000 2.238 182 M HA 0.344 4.824 4.480 -0.000 0.000 0.350 182 M C -0.197 176.127 176.300 0.039 0.000 1.138 182 M CA 0.138 55.465 55.300 0.046 0.000 1.040 182 M CB 1.342 33.952 32.600 0.016 0.000 1.639 182 M HN 0.207 nan 8.290 nan 0.000 0.451 183 T N 2.673 117.272 114.554 0.074 0.000 2.928 183 T HA 0.506 4.856 4.350 -0.000 0.000 0.296 183 T C -1.378 173.405 174.700 0.138 0.000 1.000 183 T CA -0.497 61.662 62.100 0.099 0.000 0.989 183 T CB 1.363 70.281 68.868 0.083 0.000 1.005 183 T HN 0.435 nan 8.240 nan 0.000 0.442 184 F N 3.910 123.887 119.950 0.046 0.000 2.403 184 F HA 0.658 5.185 4.527 -0.000 0.000 0.355 184 F C -0.911 174.948 175.800 0.098 0.000 1.119 184 F CA -1.154 56.873 58.000 0.046 0.000 1.007 184 F CB 0.582 39.655 39.000 0.121 0.000 1.194 184 F HN 0.456 nan 8.300 nan 0.000 0.443 185 I N 5.541 125.948 120.570 -0.273 0.000 2.382 185 I HA 0.294 4.464 4.170 -0.000 0.000 0.285 185 I C -0.144 175.886 176.117 -0.146 0.000 1.007 185 I CA -0.443 60.795 61.300 -0.103 0.000 1.142 185 I CB 1.762 39.748 38.000 -0.025 0.000 1.289 185 I HN 0.463 nan 8.210 nan 0.000 0.453 186 T N 2.360 116.911 114.554 -0.005 0.000 2.912 186 T HA 0.269 4.619 4.350 -0.000 0.000 0.288 186 T C 0.941 175.687 174.700 0.077 0.000 1.030 186 T CA -0.501 61.635 62.100 0.061 0.000 1.020 186 T CB 1.531 70.505 68.868 0.175 0.000 1.056 186 T HN 0.658 nan 8.240 nan 0.000 0.480 187 S N 1.883 117.663 115.700 0.133 0.000 2.593 187 S HA 0.194 4.664 4.470 -0.000 0.000 0.217 187 S C 0.411 175.007 174.600 -0.006 0.000 0.966 187 S CA -0.237 58.014 58.200 0.086 0.000 0.914 187 S CB -0.344 62.929 63.200 0.121 0.000 0.776 187 S HN 0.773 nan 8.310 nan 0.000 0.523 188 E N 3.048 123.198 120.200 -0.084 0.000 2.392 188 E HA 0.108 4.457 4.350 -0.000 0.000 0.264 188 E C -1.541 174.846 176.600 -0.355 0.000 1.024 188 E CA -2.002 54.166 56.400 -0.387 0.000 0.903 188 E CB 0.563 29.965 29.700 -0.496 0.000 0.963 188 E HN 0.159 nan 8.360 nan 0.000 0.432 189 P HA -0.164 nan 4.420 nan 0.000 0.219 189 P C -0.618 176.611 177.300 -0.118 0.000 1.146 189 P CA 1.566 64.476 63.100 -0.317 0.000 0.808 189 P CB -0.100 31.364 31.700 -0.393 0.000 0.779 190 Y N -4.767 115.429 120.300 -0.173 0.000 2.624 190 Y HA 0.535 5.085 4.550 -0.000 0.000 0.334 190 Y C -0.714 175.030 175.900 -0.259 0.000 1.155 190 Y CA -2.352 55.654 58.100 -0.157 0.000 1.046 190 Y CB -0.224 38.152 38.460 -0.139 0.000 1.316 190 Y HN -0.410 nan 8.280 nan 0.000 0.457 191 L N 3.049 124.161 121.223 -0.185 0.000 2.525 191 L HA 0.380 4.720 4.340 -0.000 0.000 0.278 191 L C 1.366 177.979 176.870 -0.428 0.000 1.218 191 L CA 2.191 56.807 54.840 -0.373 0.000 0.878 191 L CB 0.131 41.726 42.059 -0.775 0.000 1.127 191 L HN 1.196 nan 8.230 nan 0.000 0.492 192 G N 1.111 109.424 108.800 -0.811 0.000 2.157 192 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.248 192 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.248 192 G C 1.283 175.322 174.900 -1.435 0.000 0.979 192 G CA 0.441 44.682 45.100 -1.431 0.000 0.650 192 G HN 0.821 nan 8.290 nan 0.000 0.529 193 H N -0.132 118.290 119.070 -1.080 0.000 2.357 193 H HA -0.053 4.503 4.556 -0.000 0.000 0.301 193 H C 2.175 177.080 175.328 -0.705 0.000 1.082 193 H CA 2.127 57.627 56.048 -0.914 0.000 1.342 193 H CB -0.165 28.946 29.762 -1.085 0.000 1.389 193 H HN 0.769 nan 8.280 nan 0.000 0.511 194 F N -1.297 118.342 119.950 -0.518 0.000 2.945 194 F HA -0.263 4.264 4.527 -0.000 0.000 0.334 194 F C 1.655 177.321 175.800 -0.223 0.000 0.683 194 F CA 1.634 59.401 58.000 -0.389 0.000 1.044 194 F CB -1.919 36.883 39.000 -0.330 0.000 1.478 194 F HN 0.443 nan 8.300 nan 0.000 0.324 195 G N -0.675 108.040 108.800 -0.142 0.000 2.143 195 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.248 195 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.248 195 G C 0.454 175.320 174.900 -0.056 0.000 0.991 195 G CA 0.534 45.700 45.100 0.111 0.000 0.689 195 G HN 1.749 nan 8.290 nan 0.000 0.522 196 V N -3.725 115.992 119.914 -0.328 0.000 3.252 196 V HA 0.686 4.806 4.120 -0.000 0.000 0.320 196 V C 1.625 177.490 176.094 -0.381 0.000 1.459 196 V CA 1.014 63.168 62.300 -0.243 0.000 1.095 196 V CB 0.105 31.855 31.823 -0.122 0.000 0.997 196 V HN 2.124 nan 8.190 nan 0.000 0.469 197 G N -0.258 108.023 108.800 -0.864 0.000 2.153 197 G HA2 0.204 4.164 3.960 -0.000 0.000 0.252 197 G HA3 0.204 4.164 3.960 -0.000 0.000 0.252 197 G C 1.253 175.959 174.900 -0.323 0.000 0.994 197 G CA 0.369 45.124 45.100 -0.575 0.000 0.698 197 G HN 2.590 nan 8.290 nan 0.000 0.521 198 G N -1.457 107.085 108.800 -0.430 0.000 2.712 198 G HA2 0.159 4.119 3.960 -0.000 0.000 0.686 198 G HA3 0.159 4.119 3.960 -0.000 0.000 0.686 198 G C -0.459 174.367 174.900 -0.123 0.000 1.321 198 G CA -0.269 44.694 45.100 -0.227 0.000 0.813 198 G HN 1.296 nan 8.290 nan 0.000 0.599 199 I N 2.898 123.424 120.570 -0.073 0.000 2.437 199 I HA 0.546 4.716 4.170 -0.000 0.000 0.279 199 I C 1.252 177.403 176.117 0.057 0.000 1.028 199 I CA 0.403 61.695 61.300 -0.013 0.000 1.142 199 I CB 0.707 38.692 38.000 -0.026 0.000 1.266 199 I HN 1.934 nan 8.210 nan 0.000 0.461 200 G N 4.860 113.680 108.800 0.034 0.000 2.596 200 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.295 200 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.295 200 G C 0.552 175.468 174.900 0.027 0.000 1.240 200 G CA 0.204 45.333 45.100 0.048 0.000 0.985 200 G HN 0.942 nan 8.290 nan 0.000 0.555 201 A N 0.366 123.215 122.820 0.048 0.000 3.019 201 A HA 0.592 4.912 4.320 -0.000 0.000 0.262 201 A C 2.005 179.606 177.584 0.028 0.000 1.509 201 A CA 1.451 53.495 52.037 0.011 0.000 1.159 201 A CB -0.805 18.204 19.000 0.014 0.000 1.042 201 A HN 2.032 nan 8.150 nan 0.000 0.641 202 S N 0.212 115.924 115.700 0.021 0.000 2.383 202 S HA -0.196 4.274 4.470 -0.000 0.000 0.227 202 S C 1.897 176.396 174.600 -0.169 0.000 1.026 202 S CA 1.285 59.486 58.200 0.000 0.000 0.981 202 S CB -0.266 62.856 63.200 -0.130 0.000 0.818 202 S HN 0.662 nan 8.310 nan 0.000 0.472 203 K N 1.445 121.726 120.400 -0.198 0.000 2.026 203 K HA -0.125 4.195 4.320 -0.000 0.000 0.208 203 K C 2.564 179.035 176.600 -0.217 0.000 1.048 203 K CA 1.374 57.514 56.287 -0.245 0.000 0.929 203 K CB -0.258 32.047 32.500 -0.324 0.000 0.713 203 K HN 0.389 nan 8.250 nan 0.000 0.439 204 R N 0.547 120.960 120.500 -0.146 0.000 2.073 204 R HA -0.136 4.204 4.340 -0.000 0.000 0.234 204 R C 2.482 178.734 176.300 -0.079 0.000 1.134 204 R CA 1.393 57.436 56.100 -0.096 0.000 0.952 204 R CB -0.414 29.851 30.300 -0.059 0.000 0.850 204 R HN 0.220 nan 8.270 nan 0.000 0.433 205 L N -0.118 121.076 121.223 -0.050 0.000 1.970 205 L HA -0.172 4.168 4.340 -0.000 0.000 0.212 205 L C 2.158 178.974 176.870 -0.090 0.000 1.071 205 L CA 1.589 56.419 54.840 -0.017 0.000 0.751 205 L CB -0.370 41.737 42.059 0.081 0.000 0.889 205 L HN 0.055 nan 8.230 nan 0.000 0.432 206 V N -0.599 119.205 119.914 -0.183 0.000 2.358 206 V HA -0.273 3.847 4.120 -0.000 0.000 0.246 206 V C 2.431 178.236 176.094 -0.483 0.000 1.047 206 V CA 1.912 63.976 62.300 -0.394 0.000 1.035 206 V CB -0.624 30.845 31.823 -0.590 0.000 0.658 206 V HN 0.485 nan 8.190 nan 0.000 0.452 207 E N -0.089 119.868 120.200 -0.406 0.000 2.118 207 E HA -0.259 4.091 4.350 -0.000 0.000 0.195 207 E C 1.951 178.530 176.600 -0.034 0.000 0.992 207 E CA 1.567 57.795 56.400 -0.286 0.000 0.804 207 E CB -0.153 29.438 29.700 -0.182 0.000 0.741 207 E HN 0.602 nan 8.360 nan 0.000 0.458 208 D N 0.362 120.736 120.400 -0.044 0.000 2.117 208 D HA -0.123 4.517 4.640 -0.000 0.000 0.198 208 D C 1.919 178.231 176.300 0.021 0.000 0.982 208 D CA 0.462 54.470 54.000 0.014 0.000 0.828 208 D CB -0.220 40.581 40.800 0.001 0.000 0.967 208 D HN 0.043 nan 8.370 nan 0.000 0.464 209 L N 0.188 121.390 121.223 -0.035 0.000 1.989 209 L HA -0.171 4.169 4.340 -0.000 0.000 0.211 209 L C 2.055 178.995 176.870 0.116 0.000 1.071 209 L CA 1.545 56.365 54.840 -0.033 0.000 0.749 209 L CB -0.713 41.248 42.059 -0.162 0.000 0.890 209 L HN -0.063 nan 8.230 nan 0.000 0.431 210 F N -0.409 119.466 119.950 -0.124 0.000 2.234 210 F HA -0.053 4.474 4.527 -0.000 0.000 0.299 210 F C 2.468 178.294 175.800 0.043 0.000 1.087 210 F CA 0.658 58.624 58.000 -0.057 0.000 1.340 210 F CB -1.485 37.506 39.000 -0.014 0.000 1.031 210 F HN 0.190 nan 8.300 nan 0.000 0.500 211 A N -0.154 122.833 122.820 0.278 0.000 1.898 211 A HA -0.166 4.153 4.320 -0.000 0.000 0.216 211 A C 2.144 179.784 177.584 0.093 0.000 1.181 211 A CA 1.520 53.673 52.037 0.193 0.000 0.620 211 A CB -0.694 18.415 19.000 0.180 0.000 0.819 211 A HN 0.387 nan 8.150 nan 0.000 0.442 212 E N -0.745 119.494 120.200 0.065 0.000 2.204 212 E HA -0.104 4.246 4.350 -0.000 0.000 0.194 212 E C 1.672 178.273 176.600 0.002 0.000 0.989 212 E CA 0.791 57.212 56.400 0.035 0.000 0.824 212 E CB -0.046 29.672 29.700 0.030 0.000 0.756 212 E HN 0.479 nan 8.360 nan 0.000 0.477 213 R N 0.365 120.822 120.500 -0.072 0.000 2.393 213 R HA 0.096 4.436 4.340 -0.000 0.000 0.244 213 R C 0.062 176.202 176.300 -0.267 0.000 0.920 213 R CA -0.059 55.878 56.100 -0.271 0.000 1.076 213 R CB 0.124 30.064 30.300 -0.599 0.000 1.119 213 R HN 0.038 nan 8.270 nan 0.000 0.524 214 N N 0.940 119.589 118.700 -0.084 0.000 2.735 214 N HA -0.160 4.580 4.740 -0.000 0.000 0.248 214 N C -0.882 174.581 175.510 -0.078 0.000 1.083 214 N CA 0.436 53.467 53.050 -0.033 0.000 0.703 214 N CB -0.486 38.012 38.487 0.019 0.000 1.005 214 N HN 0.143 nan 8.380 nan 0.000 0.550 215 I N 0.159 120.632 120.570 -0.162 0.000 2.352 215 I HA 0.208 4.378 4.170 -0.000 0.000 0.290 215 I C 0.769 176.906 176.117 0.032 0.000 1.036 215 I CA -0.193 60.968 61.300 -0.232 0.000 1.336 215 I CB 0.615 38.098 38.000 -0.863 0.000 1.407 215 I HN 0.129 nan 8.210 nan 0.000 0.497 216 D N 7.416 127.844 120.400 0.046 0.000 2.329 216 D HA 0.464 5.104 4.640 -0.000 0.000 0.246 216 D C -0.458 175.989 176.300 0.246 0.000 1.111 216 D CA 0.284 54.315 54.000 0.052 0.000 0.941 216 D CB 1.527 42.313 40.800 -0.023 0.000 1.169 216 D HN 0.530 nan 8.370 nan 0.000 0.441 217 W N 0.555 121.930 121.300 0.126 0.000 3.372 217 W HA 0.543 5.203 4.660 -0.000 0.000 0.315 217 W C -1.935 174.634 176.519 0.082 0.000 1.223 217 W CA -0.921 56.532 57.345 0.180 0.000 1.202 217 W CB -0.094 29.573 29.460 0.344 0.000 1.367 217 W HN 0.099 nan 8.180 nan 0.000 0.531 218 I N 2.943 123.678 120.570 0.273 0.000 2.447 218 I HA 0.620 4.790 4.170 -0.000 0.000 0.287 218 I C 0.239 176.459 176.117 0.172 0.000 1.023 218 I CA -0.640 60.718 61.300 0.098 0.000 1.083 218 I CB 1.662 39.535 38.000 -0.212 0.000 1.245 218 I HN 0.559 nan 8.210 nan 0.000 0.434 219 A N 3.968 126.941 122.820 0.256 0.000 2.282 219 A HA 0.653 4.973 4.320 -0.000 0.000 0.324 219 A C 0.579 178.214 177.584 0.085 0.000 1.119 219 A CA -0.475 51.667 52.037 0.175 0.000 0.880 219 A CB 0.579 19.711 19.000 0.220 0.000 1.294 219 A HN 0.797 nan 8.150 nan 0.000 0.493 220 N N -2.091 116.630 118.700 0.035 0.000 2.740 220 N HA -0.157 4.583 4.740 -0.000 0.000 0.248 220 N C -0.471 175.067 175.510 0.048 0.000 1.062 220 N CA 1.179 54.240 53.050 0.019 0.000 0.704 220 N CB -1.519 36.988 38.487 0.034 0.000 0.968 220 N HN 1.560 nan 8.380 nan 0.000 0.547 221 V N -4.005 115.934 119.914 0.043 0.000 3.078 221 V HA 0.974 5.094 4.120 -0.000 0.000 0.311 221 V C -0.052 176.092 176.094 0.084 0.000 1.138 221 V CA -0.695 61.660 62.300 0.092 0.000 1.007 221 V CB 2.204 34.071 31.823 0.073 0.000 1.045 221 V HN 0.276 nan 8.190 nan 0.000 0.432 222 A N 2.441 125.341 122.820 0.133 0.000 2.394 222 A HA 0.713 5.032 4.320 -0.000 0.000 0.333 222 A C -0.169 177.480 177.584 0.108 0.000 1.397 222 A CA -0.582 51.509 52.037 0.090 0.000 0.884 222 A CB 0.438 19.473 19.000 0.059 0.000 1.147 222 A HN 1.281 nan 8.150 nan 0.000 0.505 223 V N 3.730 123.686 119.914 0.071 0.000 2.539 223 V HA -0.050 4.070 4.120 -0.000 0.000 0.300 223 V C 1.174 177.241 176.094 -0.045 0.000 1.019 223 V CA 0.917 63.223 62.300 0.009 0.000 1.160 223 V CB 0.401 32.135 31.823 -0.148 0.000 0.901 223 V HN 0.911 nan 8.190 nan 0.000 0.481 224 K N 3.017 123.395 120.400 -0.037 0.000 2.387 224 K HA 0.450 4.770 4.320 -0.000 0.000 0.197 224 K C 0.314 176.865 176.600 -0.083 0.000 1.127 224 K CA 0.854 57.109 56.287 -0.052 0.000 0.950 224 K CB 1.321 33.803 32.500 -0.030 0.000 1.017 224 K HN 0.753 nan 8.250 nan 0.000 0.519 225 A N 1.203 123.961 122.820 -0.103 0.000 2.549 225 A HA 0.654 4.974 4.320 -0.000 0.000 0.297 225 A C -1.242 176.252 177.584 -0.150 0.000 1.061 225 A CA -0.634 51.337 52.037 -0.110 0.000 0.690 225 A CB 1.297 20.251 19.000 -0.076 0.000 1.287 225 A HN 0.025 nan 8.150 nan 0.000 0.402 226 I N 2.425 122.905 120.570 -0.150 0.000 2.464 226 I HA 0.281 4.451 4.170 -0.000 0.000 0.277 226 I C 0.107 176.168 176.117 -0.095 0.000 1.040 226 I CA -0.025 61.186 61.300 -0.149 0.000 1.153 226 I CB 0.562 38.444 38.000 -0.196 0.000 1.274 226 I HN 0.753 nan 8.210 nan 0.000 0.469 227 E N 6.427 126.586 120.200 -0.068 0.000 2.312 227 E HA 0.256 4.606 4.350 -0.000 0.000 0.259 227 E C -1.499 175.077 176.600 -0.040 0.000 1.122 227 E CA -1.527 54.844 56.400 -0.049 0.000 0.922 227 E CB 0.953 30.631 29.700 -0.037 0.000 1.109 227 E HN 0.238 nan 8.360 nan 0.000 0.442 228 P HA -0.173 nan 4.420 nan 0.000 0.218 228 P C 0.376 177.672 177.300 -0.008 0.000 1.148 228 P CA 1.444 64.531 63.100 -0.022 0.000 0.822 228 P CB 0.139 31.829 31.700 -0.017 0.000 0.784 229 D N -1.982 118.415 120.400 -0.005 0.000 2.503 229 D HA 0.078 4.718 4.640 -0.000 0.000 0.218 229 D C 0.370 176.678 176.300 0.013 0.000 1.183 229 D CA 0.025 54.029 54.000 0.007 0.000 0.827 229 D CB 0.230 41.033 40.800 0.004 0.000 1.034 229 D HN 0.268 nan 8.370 nan 0.000 0.510 230 K N -1.351 119.053 120.400 0.006 0.000 2.711 230 K HA 0.484 4.804 4.320 -0.000 0.000 0.294 230 K C -1.966 174.638 176.600 0.006 0.000 1.037 230 K CA -0.950 55.347 56.287 0.018 0.000 0.858 230 K CB 1.307 33.817 32.500 0.017 0.000 1.521 230 K HN -0.175 nan 8.250 nan 0.000 0.386 231 V N 1.923 121.856 119.914 0.033 0.000 2.495 231 V HA 0.503 4.623 4.120 -0.000 0.000 0.298 231 V C -0.397 175.731 176.094 0.056 0.000 1.031 231 V CA -0.760 61.550 62.300 0.016 0.000 0.871 231 V CB 1.366 33.223 31.823 0.056 0.000 0.988 231 V HN 0.601 nan 8.190 nan 0.000 0.432 232 I N 5.545 126.121 120.570 0.009 0.000 2.441 232 I HA 0.592 4.762 4.170 -0.000 0.000 0.295 232 I C -0.770 175.389 176.117 0.071 0.000 0.994 232 I CA -0.650 60.653 61.300 0.005 0.000 1.144 232 I CB 1.546 39.515 38.000 -0.052 0.000 1.314 232 I HN 0.791 nan 8.210 nan 0.000 0.445 233 Y N 3.008 123.312 120.300 0.006 0.000 2.609 233 Y HA 0.747 5.297 4.550 -0.000 0.000 0.342 233 Y C -1.087 174.839 175.900 0.044 0.000 1.058 233 Y CA -1.233 56.878 58.100 0.018 0.000 1.055 233 Y CB 1.290 39.778 38.460 0.046 0.000 1.292 233 Y HN 0.552 nan 8.280 nan 0.000 0.476 234 E N 1.459 121.770 120.200 0.185 0.000 2.238 234 E HA 0.372 4.722 4.350 -0.000 0.000 0.267 234 E C -1.596 175.154 176.600 0.251 0.000 0.887 234 E CA -0.800 55.657 56.400 0.096 0.000 0.769 234 E CB 1.733 31.448 29.700 0.026 0.000 1.187 234 E HN 0.819 nan 8.360 nan 0.000 0.416 235 D N 2.328 122.862 120.400 0.223 0.000 2.549 235 D HA 0.138 4.778 4.640 -0.000 0.000 0.270 235 D C 0.893 177.262 176.300 0.114 0.000 1.181 235 D CA -0.564 53.564 54.000 0.214 0.000 1.070 235 D CB 0.655 41.616 40.800 0.268 0.000 1.154 235 D HN 0.455 nan 8.370 nan 0.000 0.602 236 L N -0.507 120.772 121.223 0.094 0.000 2.275 236 L HA -0.016 4.324 4.340 -0.000 0.000 0.215 236 L C 1.450 178.347 176.870 0.044 0.000 1.119 236 L CA 0.876 55.751 54.840 0.058 0.000 0.790 236 L CB -0.728 41.361 42.059 0.050 0.000 0.919 236 L HN 0.443 nan 8.230 nan 0.000 0.443 237 N N -0.043 118.687 118.700 0.051 0.000 2.494 237 N HA 0.024 4.764 4.740 -0.000 0.000 0.182 237 N C 0.786 176.305 175.510 0.016 0.000 1.076 237 N CA 0.515 53.585 53.050 0.034 0.000 0.908 237 N CB 0.159 38.672 38.487 0.042 0.000 0.967 237 N HN 0.343 nan 8.380 nan 0.000 0.449 238 G N 1.039 109.847 108.800 0.012 0.000 2.452 238 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.275 238 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.275 238 G C -1.088 173.785 174.900 -0.045 0.000 1.131 238 G CA -0.659 44.433 45.100 -0.013 0.000 1.031 238 G HN 0.237 nan 8.290 nan 0.000 0.511 239 N N -0.372 118.291 118.700 -0.061 0.000 2.295 239 N HA 0.682 5.422 4.740 -0.000 0.000 0.293 239 N C -0.181 175.137 175.510 -0.319 0.000 1.040 239 N CA 0.027 52.968 53.050 -0.182 0.000 0.840 239 N CB 2.006 40.410 38.487 -0.138 0.000 1.468 239 N HN 0.293 nan 8.380 nan 0.000 0.478 240 T N 1.058 115.358 114.554 -0.424 0.000 2.909 240 T HA 0.534 4.884 4.350 -0.000 0.000 0.286 240 T C -0.994 173.233 174.700 -0.789 0.000 1.002 240 T CA 0.054 61.880 62.100 -0.456 0.000 1.074 240 T CB 0.223 68.933 68.868 -0.263 0.000 0.984 240 T HN 0.522 nan 8.240 nan 0.000 0.495 241 H N 0.782 119.560 119.070 -0.487 0.000 3.016 241 H HA 0.549 5.105 4.556 -0.000 0.000 0.362 241 H C -0.723 174.349 175.328 -0.427 0.000 1.233 241 H CA -1.010 54.733 56.048 -0.510 0.000 1.124 241 H CB 1.594 30.898 29.762 -0.765 0.000 1.850 241 H HN 0.714 nan 8.280 nan 0.000 0.549 242 E N 0.762 120.928 120.200 -0.056 0.000 2.369 242 E HA 0.692 5.042 4.350 -0.000 0.000 0.270 242 E C -1.497 175.164 176.600 0.101 0.000 0.909 242 E CA -1.105 55.305 56.400 0.016 0.000 0.775 242 E CB 2.731 32.429 29.700 -0.003 0.000 1.270 242 E HN 0.203 nan 8.360 nan 0.000 0.445 243 V N 1.793 121.784 119.914 0.129 0.000 2.623 243 V HA 0.334 4.454 4.120 -0.000 0.000 0.304 243 V C -2.456 173.691 176.094 0.089 0.000 1.054 243 V CA -1.986 60.390 62.300 0.127 0.000 0.882 243 V CB 1.838 33.768 31.823 0.178 0.000 1.002 243 V HN 0.685 nan 8.190 nan 0.000 0.424 244 P HA 0.315 nan 4.420 nan 0.000 0.266 244 P C -0.760 176.580 177.300 0.066 0.000 1.193 244 P CA 0.208 63.340 63.100 0.053 0.000 0.770 244 P CB 0.568 32.293 31.700 0.043 0.000 0.836 245 A N 2.503 125.359 122.820 0.059 0.000 2.497 245 A HA 0.322 4.642 4.320 -0.000 0.000 0.280 245 A C 0.607 178.232 177.584 0.068 0.000 1.065 245 A CA -0.510 51.571 52.037 0.073 0.000 0.781 245 A CB 0.859 19.903 19.000 0.073 0.000 1.289 245 A HN 0.475 nan 8.150 nan 0.000 0.415 246 K N 1.352 121.808 120.400 0.093 0.000 2.284 246 K HA 0.300 4.620 4.320 -0.000 0.000 0.198 246 K C -0.349 176.355 176.600 0.174 0.000 1.048 246 K CA 0.806 57.154 56.287 0.101 0.000 0.987 246 K CB 0.196 32.746 32.500 0.084 0.000 0.800 246 K HN 0.636 nan 8.250 nan 0.000 0.486 247 F N 0.615 120.580 119.950 0.025 0.000 2.596 247 F HA 0.312 4.839 4.527 -0.000 0.000 0.311 247 F C -1.273 174.572 175.800 0.075 0.000 1.116 247 F CA -0.603 57.416 58.000 0.032 0.000 0.957 247 F CB 1.752 40.757 39.000 0.008 0.000 1.250 247 F HN -0.091 nan 8.300 nan 0.000 0.444 248 T N 4.281 118.367 114.554 -0.780 0.000 2.906 248 T HA 0.701 5.050 4.350 -0.000 0.000 0.295 248 T C -1.193 173.044 174.700 -0.772 0.000 1.061 248 T CA -0.842 60.966 62.100 -0.486 0.000 1.000 248 T CB 1.991 70.839 68.868 -0.033 0.000 1.103 248 T HN 0.709 nan 8.240 nan 0.000 0.486 249 M N 2.634 122.019 119.600 -0.358 0.000 2.224 249 M HA 0.592 5.072 4.480 -0.000 0.000 0.281 249 M C -2.487 173.617 176.300 -0.326 0.000 1.025 249 M CA -1.001 54.129 55.300 -0.283 0.000 0.954 249 M CB 1.270 33.771 32.600 -0.165 0.000 1.639 249 M HN 0.864 nan 8.290 nan 0.000 0.461 250 F N 4.093 123.941 119.950 -0.171 0.000 2.569 250 F HA 0.527 5.054 4.527 -0.000 0.000 0.312 250 F C 0.072 175.792 175.800 -0.133 0.000 1.109 250 F CA -0.713 57.199 58.000 -0.147 0.000 0.919 250 F CB 1.976 40.902 39.000 -0.123 0.000 1.211 250 F HN 0.384 nan 8.300 nan 0.000 0.446 251 M N 5.727 125.304 119.600 -0.039 0.000 2.227 251 M HA 0.202 4.682 4.480 -0.000 0.000 0.349 251 M C -2.340 173.850 176.300 -0.182 0.000 1.443 251 M CA -2.013 53.201 55.300 -0.143 0.000 1.110 251 M CB 0.001 32.442 32.600 -0.265 0.000 1.773 251 M HN 0.167 nan 8.290 nan 0.000 0.463 252 P HA 0.100 nan 4.420 nan 0.000 0.272 252 P C -0.244 176.801 177.300 -0.424 0.000 1.223 252 P CA -0.245 62.580 63.100 -0.458 0.000 0.784 252 P CB 0.327 31.452 31.700 -0.959 0.000 0.923 253 S N 1.239 116.732 115.700 -0.345 0.000 2.608 253 S HA 0.400 4.870 4.470 -0.000 0.000 0.261 253 S C -0.210 174.299 174.600 -0.151 0.000 1.314 253 S CA -0.299 57.693 58.200 -0.348 0.000 0.992 253 S CB -0.153 62.927 63.200 -0.199 0.000 0.935 253 S HN 0.207 nan 8.310 nan 0.000 0.564 254 F N 1.088 120.955 119.950 -0.139 0.000 2.450 254 F HA 0.586 5.113 4.527 -0.000 0.000 0.332 254 F C 0.539 176.296 175.800 -0.072 0.000 1.093 254 F CA -1.130 56.806 58.000 -0.108 0.000 1.003 254 F CB 1.548 40.500 39.000 -0.081 0.000 1.151 254 F HN 0.864 nan 8.300 nan 0.000 0.474 255 Q N 0.717 120.597 119.800 0.134 0.000 2.544 255 Q HA 0.791 5.131 4.340 -0.000 0.000 0.291 255 Q C -0.533 175.486 176.000 0.032 0.000 1.068 255 Q CA -1.327 54.514 55.803 0.065 0.000 0.785 255 Q CB 2.004 30.763 28.738 0.034 0.000 1.481 255 Q HN 0.767 nan 8.270 nan 0.000 0.430 256 G N 1.366 110.180 108.800 0.022 0.000 2.483 256 G HA2 0.455 4.415 3.960 -0.000 0.000 0.248 256 G HA3 0.455 4.415 3.960 -0.000 0.000 0.248 256 G C -2.294 172.607 174.900 0.002 0.000 1.248 256 G CA -0.882 44.222 45.100 0.008 0.000 0.838 256 G HN 0.569 nan 8.290 nan 0.000 0.566 257 P HA 0.216 nan 4.420 nan 0.000 0.277 257 P C 0.448 177.747 177.300 -0.001 0.000 1.271 257 P CA -0.437 62.660 63.100 -0.005 0.000 0.795 257 P CB 1.462 33.155 31.700 -0.012 0.000 1.101 258 E N -0.165 120.035 120.200 0.001 0.000 2.208 258 E HA -0.067 4.283 4.350 -0.000 0.000 0.193 258 E C 1.697 178.296 176.600 -0.001 0.000 0.988 258 E CA 0.619 57.019 56.400 0.001 0.000 0.828 258 E CB -0.557 29.145 29.700 0.004 0.000 0.763 258 E HN 0.135 nan 8.360 nan 0.000 0.478 259 V N 0.654 120.566 119.914 -0.003 0.000 2.626 259 V HA -0.170 3.949 4.120 -0.000 0.000 0.252 259 V C 2.087 178.177 176.094 -0.007 0.000 1.067 259 V CA 1.106 63.403 62.300 -0.005 0.000 1.081 259 V CB 0.042 31.862 31.823 -0.006 0.000 0.686 259 V HN 0.032 nan 8.190 nan 0.000 0.468 260 V N -0.125 119.785 119.914 -0.007 0.000 2.599 260 V HA 0.023 4.143 4.120 -0.000 0.000 0.245 260 V C 2.697 178.787 176.094 -0.007 0.000 1.046 260 V CA 1.385 63.679 62.300 -0.009 0.000 1.065 260 V CB -0.653 31.167 31.823 -0.006 0.000 0.703 260 V HN 0.572 nan 8.190 nan 0.000 0.464 261 A N 0.955 123.773 122.820 -0.003 0.000 1.940 261 A HA -0.202 4.118 4.320 -0.000 0.000 0.219 261 A C 2.234 179.817 177.584 -0.002 0.000 1.176 261 A CA 2.192 54.230 52.037 0.000 0.000 0.631 261 A CB -0.640 18.362 19.000 0.003 0.000 0.814 261 A HN 0.690 nan 8.150 nan 0.000 0.446 262 S N -1.137 114.560 115.700 -0.005 0.000 2.743 262 S HA 0.529 4.999 4.470 -0.000 0.000 0.230 262 S C 0.888 175.479 174.600 -0.015 0.000 0.950 262 S CA 0.403 58.599 58.200 -0.006 0.000 0.976 262 S CB 0.018 63.215 63.200 -0.004 0.000 0.779 262 S HN 0.835 nan 8.310 nan 0.000 0.487 263 A N 0.638 123.445 122.820 -0.022 0.000 2.465 263 A HA 0.706 5.026 4.320 -0.000 0.000 0.255 263 A C 1.158 178.717 177.584 -0.041 0.000 1.274 263 A CA -0.062 51.946 52.037 -0.048 0.000 0.920 263 A CB -0.689 18.271 19.000 -0.066 0.000 1.033 263 A HN 1.559 nan 8.150 nan 0.000 0.516 264 G N 0.531 109.327 108.800 -0.006 0.000 2.730 264 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.686 264 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.686 264 G C -0.185 174.735 174.900 0.034 0.000 1.343 264 G CA 0.068 45.182 45.100 0.024 0.000 0.826 264 G HN 0.757 nan 8.290 nan 0.000 0.582 265 D N -0.834 119.592 120.400 0.043 0.000 2.328 265 D HA 0.228 4.868 4.640 -0.000 0.000 0.226 265 D C 1.421 177.751 176.300 0.050 0.000 1.066 265 D CA 0.446 54.468 54.000 0.037 0.000 0.861 265 D CB 0.364 41.179 40.800 0.026 0.000 0.912 265 D HN 0.408 nan 8.370 nan 0.000 0.521 266 K N -0.418 120.035 120.400 0.089 0.000 2.387 266 K HA 0.234 4.553 4.320 -0.000 0.000 0.198 266 K C 0.870 177.548 176.600 0.130 0.000 1.022 266 K CA 0.093 56.445 56.287 0.109 0.000 1.128 266 K CB 0.929 33.510 32.500 0.134 0.000 0.853 266 K HN 0.079 nan 8.250 nan 0.000 0.523 267 V N -1.046 118.919 119.914 0.086 0.000 3.137 267 V HA 0.319 4.439 4.120 -0.000 0.000 0.236 267 V C 0.432 176.536 176.094 0.016 0.000 1.260 267 V CA 0.070 62.395 62.300 0.042 0.000 1.244 267 V CB 0.639 32.449 31.823 -0.022 0.000 1.016 267 V HN 0.084 nan 8.190 nan 0.000 0.477 268 A N 1.483 124.312 122.820 0.014 0.000 2.274 268 A HA 0.507 4.827 4.320 -0.000 0.000 0.309 268 A C -0.025 177.567 177.584 0.012 0.000 1.226 268 A CA -0.278 51.765 52.037 0.009 0.000 0.853 268 A CB 0.149 19.153 19.000 0.006 0.000 1.146 268 A HN 0.281 nan 8.150 nan 0.000 0.518 269 N N 2.908 121.614 118.700 0.009 0.000 2.447 269 N HA 0.070 4.809 4.740 -0.000 0.000 0.263 269 N C -1.716 173.799 175.510 0.010 0.000 1.226 269 N CA -1.399 51.656 53.050 0.008 0.000 0.906 269 N CB 1.087 39.577 38.487 0.006 0.000 1.060 269 N HN 0.251 nan 8.380 nan 0.000 0.468 270 P HA -0.098 nan 4.420 nan 0.000 0.215 270 P C 0.782 178.087 177.300 0.008 0.000 1.153 270 P CA 1.537 64.643 63.100 0.009 0.000 0.853 270 P CB 0.130 31.834 31.700 0.008 0.000 0.788 271 A N 0.898 123.723 122.820 0.008 0.000 1.841 271 A HA -0.223 4.097 4.320 -0.000 0.000 0.216 271 A C 1.783 179.373 177.584 0.010 0.000 1.199 271 A CA 2.577 54.619 52.037 0.008 0.000 0.621 271 A CB -1.451 17.554 19.000 0.008 0.000 0.835 271 A HN 0.360 nan 8.150 nan 0.000 0.445 272 N N -2.770 115.938 118.700 0.013 0.000 2.171 272 N HA 0.114 4.854 4.740 -0.000 0.000 0.212 272 N C 0.129 175.651 175.510 0.020 0.000 1.184 272 N CA 0.569 53.630 53.050 0.018 0.000 0.888 272 N CB 0.278 38.780 38.487 0.025 0.000 1.038 272 N HN 0.533 nan 8.380 nan 0.000 0.517 273 K N -0.848 119.561 120.400 0.015 0.000 3.446 273 K HA -0.164 4.156 4.320 -0.000 0.000 0.312 273 K C -0.534 176.074 176.600 0.013 0.000 1.329 273 K CA 0.697 56.991 56.287 0.013 0.000 0.935 273 K CB -1.719 30.788 32.500 0.011 0.000 1.281 273 K HN 0.338 nan 8.250 nan 0.000 0.457 274 M N 0.824 120.434 119.600 0.017 0.000 2.291 274 M HA 0.172 4.652 4.480 -0.000 0.000 0.324 274 M C 0.557 176.863 176.300 0.010 0.000 1.148 274 M CA -0.583 54.728 55.300 0.018 0.000 1.104 274 M CB 1.213 33.831 32.600 0.030 0.000 1.483 274 M HN -0.149 nan 8.290 nan 0.000 0.467 275 V N 3.720 123.640 119.914 0.010 0.000 2.458 275 V HA -0.015 4.105 4.120 -0.000 0.000 0.287 275 V C 0.256 176.341 176.094 -0.015 0.000 1.009 275 V CA 0.184 62.486 62.300 0.004 0.000 1.091 275 V CB -0.942 30.890 31.823 0.016 0.000 0.960 275 V HN 0.555 nan 8.190 nan 0.000 0.476 276 I N 6.690 127.251 120.570 -0.016 0.000 2.587 276 I HA 0.219 4.389 4.170 -0.000 0.000 0.284 276 I C 0.195 176.275 176.117 -0.062 0.000 1.134 276 I CA 0.371 61.651 61.300 -0.034 0.000 1.410 276 I CB 0.265 38.257 38.000 -0.012 0.000 1.392 276 I HN 0.533 nan 8.210 nan 0.000 0.545 277 V N 2.448 122.288 119.914 -0.122 0.000 3.040 277 V HA 0.625 4.745 4.120 -0.000 0.000 0.312 277 V C -0.492 175.485 176.094 -0.196 0.000 1.115 277 V CA -1.044 61.148 62.300 -0.180 0.000 0.998 277 V CB 1.792 33.429 31.823 -0.310 0.000 1.042 277 V HN 0.821 nan 8.190 nan 0.000 0.433 278 N N 1.166 119.773 118.700 -0.155 0.000 2.566 278 N HA 0.444 5.184 4.740 -0.000 0.000 0.299 278 N C 0.753 176.195 175.510 -0.113 0.000 1.277 278 N CA -0.705 52.282 53.050 -0.105 0.000 0.965 278 N CB 0.497 38.960 38.487 -0.040 0.000 1.142 278 N HN 0.574 nan 8.380 nan 0.000 0.596 279 R N -0.969 119.524 120.500 -0.013 0.000 2.119 279 R HA -0.098 4.242 4.340 -0.000 0.000 0.246 279 R C 0.754 177.199 176.300 0.241 0.000 1.146 279 R CA 1.875 58.025 56.100 0.083 0.000 0.962 279 R CB -0.823 29.531 30.300 0.091 0.000 0.863 279 R HN 0.592 nan 8.270 nan 0.000 0.442 280 c N 0.003 118.735 118.600 0.220 0.000 2.524 280 c HA 0.207 4.777 4.570 -0.000 0.000 0.301 280 c C -0.186 174.188 174.090 0.474 0.000 1.296 280 c CA -0.751 55.772 56.329 0.323 0.000 1.683 280 c CB -1.753 40.903 42.510 0.243 0.000 1.764 280 c HN 0.500 nan 8.230 nan 0.000 0.597 281 F N 0.943 120.988 119.950 0.159 0.000 3.039 281 F HA -0.193 4.334 4.527 -0.000 0.000 0.287 281 F C 0.452 176.398 175.800 0.243 0.000 0.956 281 F CA 1.260 59.365 58.000 0.175 0.000 0.971 281 F CB -1.490 37.610 39.000 0.168 0.000 0.943 281 F HN 0.534 nan 8.300 nan 0.000 0.766 282 Q N 0.444 120.327 119.800 0.138 0.000 2.375 282 Q HA 0.436 4.776 4.340 -0.000 0.000 0.271 282 Q C -0.287 175.609 176.000 -0.174 0.000 1.074 282 Q CA -1.124 54.574 55.803 -0.174 0.000 0.808 282 Q CB 1.713 30.343 28.738 -0.181 0.000 1.327 282 Q HN 0.246 nan 8.270 nan 0.000 0.441 283 N N 4.081 122.649 118.700 -0.222 0.000 2.468 283 N HA 0.094 4.834 4.740 -0.000 0.000 0.265 283 N C -2.014 173.453 175.510 -0.072 0.000 1.199 283 N CA -0.990 52.006 53.050 -0.091 0.000 0.928 283 N CB 1.134 39.614 38.487 -0.012 0.000 1.059 283 N HN 0.389 nan 8.380 nan 0.000 0.467 284 P HA -0.171 nan 4.420 nan 0.000 0.210 284 P C 1.027 178.287 177.300 -0.066 0.000 1.189 284 P CA 2.033 65.103 63.100 -0.049 0.000 0.920 284 P CB -0.171 31.504 31.700 -0.041 0.000 0.782 285 T N -4.863 109.639 114.554 -0.087 0.000 2.915 285 T HA -0.135 4.215 4.350 -0.000 0.000 0.269 285 T C 0.406 174.882 174.700 -0.373 0.000 1.071 285 T CA 1.016 62.973 62.100 -0.238 0.000 1.132 285 T CB -1.061 67.614 68.868 -0.322 0.000 0.878 285 T HN 0.028 nan 8.240 nan 0.000 0.479 286 Y N 1.908 122.182 120.300 -0.043 0.000 2.721 286 Y HA 0.483 5.033 4.550 -0.000 0.000 0.328 286 Y C 1.243 177.098 175.900 -0.076 0.000 1.003 286 Y CA -1.338 56.741 58.100 -0.035 0.000 1.275 286 Y CB 0.940 39.394 38.460 -0.011 0.000 1.097 286 Y HN -0.008 nan 8.280 nan 0.000 0.514 287 K N 0.678 121.103 120.400 0.043 0.000 2.228 287 K HA -0.227 4.093 4.320 -0.000 0.000 0.205 287 K C 1.218 177.801 176.600 -0.029 0.000 1.045 287 K CA 1.644 57.927 56.287 -0.007 0.000 0.931 287 K CB 0.008 32.545 32.500 0.063 0.000 0.727 287 K HN 0.562 nan 8.250 nan 0.000 0.458 288 N N 0.764 119.527 118.700 0.105 0.000 2.268 288 N HA 0.021 4.761 4.740 -0.000 0.000 0.204 288 N C -0.190 175.453 175.510 0.221 0.000 1.124 288 N CA 0.079 53.303 53.050 0.290 0.000 0.838 288 N CB 0.183 38.811 38.487 0.234 0.000 0.994 288 N HN 0.108 nan 8.380 nan 0.000 0.489 289 I N 1.107 121.634 120.570 -0.073 0.000 2.362 289 I HA 0.355 4.525 4.170 -0.000 0.000 0.289 289 I C -0.922 175.006 176.117 -0.316 0.000 0.994 289 I CA -0.795 60.457 61.300 -0.079 0.000 1.158 289 I CB 0.703 38.684 38.000 -0.032 0.000 1.315 289 I HN -0.216 nan 8.210 nan 0.000 0.451 290 F N 3.402 123.385 119.950 0.055 0.000 2.538 290 F HA 0.756 5.283 4.527 -0.000 0.000 0.325 290 F C 0.691 176.530 175.800 0.064 0.000 1.066 290 F CA -0.818 57.229 58.000 0.079 0.000 0.946 290 F CB 2.040 41.090 39.000 0.084 0.000 1.199 290 F HN 0.325 nan 8.300 nan 0.000 0.473 291 G N 0.473 109.449 108.800 0.294 0.000 2.513 291 G HA2 0.584 4.544 3.960 -0.000 0.000 0.317 291 G HA3 0.584 4.544 3.960 -0.000 0.000 0.317 291 G C -2.102 172.994 174.900 0.327 0.000 1.277 291 G CA -0.960 44.277 45.100 0.227 0.000 0.955 291 G HN 0.736 nan 8.290 nan 0.000 0.484 292 V N 2.126 122.167 119.914 0.211 0.000 2.668 292 V HA 0.946 5.066 4.120 -0.000 0.000 0.304 292 V C 0.221 176.379 176.094 0.107 0.000 1.071 292 V CA 1.063 63.461 62.300 0.163 0.000 0.894 292 V CB 1.184 33.047 31.823 0.067 0.000 1.008 292 V HN 2.358 nan 8.190 nan 0.000 0.425 293 G N 3.710 112.577 108.800 0.112 0.000 2.280 293 G HA2 0.130 4.090 3.960 -0.000 0.000 0.277 293 G HA3 0.130 4.090 3.960 -0.000 0.000 0.277 293 G C 0.499 175.450 174.900 0.086 0.000 1.288 293 G CA 0.088 45.229 45.100 0.068 0.000 1.075 293 G HN 1.907 nan 8.290 nan 0.000 0.480 294 V N 0.188 120.122 119.914 0.033 0.000 2.490 294 V HA -0.007 4.113 4.120 -0.000 0.000 0.250 294 V C 2.706 178.823 176.094 0.039 0.000 1.061 294 V CA 3.111 65.430 62.300 0.032 0.000 1.064 294 V CB -0.303 31.481 31.823 -0.064 0.000 0.670 294 V HN 1.853 nan 8.190 nan 0.000 0.461 295 V N 2.260 122.183 119.914 0.015 0.000 2.828 295 V HA -0.078 4.042 4.120 -0.000 0.000 0.260 295 V C 1.452 177.576 176.094 0.050 0.000 1.101 295 V CA 1.799 64.110 62.300 0.018 0.000 1.123 295 V CB -1.198 30.628 31.823 0.006 0.000 0.704 295 V HN 0.948 nan 8.190 nan 0.000 0.493 296 T N 0.497 115.105 114.554 0.091 0.000 2.851 296 T HA 0.603 4.953 4.350 -0.000 0.000 0.298 296 T C 0.065 174.794 174.700 0.049 0.000 0.977 296 T CA -0.054 62.096 62.100 0.084 0.000 1.126 296 T CB 1.324 70.301 68.868 0.182 0.000 0.916 296 T HN 0.607 nan 8.240 nan 0.000 0.529 297 A N 4.663 127.484 122.820 0.001 0.000 2.438 297 A HA 0.519 4.839 4.320 -0.000 0.000 0.280 297 A C 0.235 177.803 177.584 -0.026 0.000 1.160 297 A CA -0.626 51.410 52.037 -0.002 0.000 0.821 297 A CB -0.701 18.292 19.000 -0.012 0.000 1.101 297 A HN 0.906 nan 8.150 nan 0.000 0.515 298 I N 4.514 125.093 120.570 0.015 0.000 2.382 298 I HA 0.265 4.435 4.170 -0.000 0.000 0.286 298 I C -2.242 173.890 176.117 0.026 0.000 1.002 298 I CA -2.230 59.079 61.300 0.015 0.000 1.135 298 I CB 1.965 40.004 38.000 0.066 0.000 1.288 298 I HN 0.397 nan 8.210 nan 0.000 0.448 299 P HA 0.018 nan 4.420 nan 0.000 0.258 299 P C -2.266 175.053 177.300 0.033 0.000 1.172 299 P CA -0.522 62.590 63.100 0.018 0.000 0.762 299 P CB -0.445 31.261 31.700 0.010 0.000 0.764 300 P HA -0.045 nan 4.420 nan 0.000 0.263 300 P C 1.089 178.417 177.300 0.047 0.000 1.168 300 P CA 0.452 63.583 63.100 0.052 0.000 0.759 300 P CB 0.596 32.327 31.700 0.051 0.000 0.782 301 I N 0.616 121.217 120.570 0.051 0.000 2.286 301 I HA -0.147 4.023 4.170 -0.000 0.000 0.248 301 I C 1.363 177.505 176.117 0.042 0.000 1.115 301 I CA 1.525 62.846 61.300 0.036 0.000 1.392 301 I CB 0.042 38.050 38.000 0.013 0.000 1.065 301 I HN 0.466 nan 8.210 nan 0.000 0.418 302 E N 0.784 121.024 120.200 0.067 0.000 2.290 302 E HA 0.148 4.498 4.350 -0.000 0.000 0.274 302 E C -0.694 175.937 176.600 0.052 0.000 0.889 302 E CA -0.679 55.764 56.400 0.072 0.000 0.760 302 E CB 1.373 31.152 29.700 0.131 0.000 1.206 302 E HN -0.112 nan 8.360 nan 0.000 0.419 303 K N 3.924 124.342 120.400 0.030 0.000 2.171 303 K HA 0.109 4.429 4.320 -0.000 0.000 0.274 303 K C -0.382 176.214 176.600 -0.008 0.000 1.110 303 K CA -0.050 56.245 56.287 0.014 0.000 0.952 303 K CB -0.089 32.419 32.500 0.013 0.000 1.309 303 K HN 0.560 nan 8.250 nan 0.000 0.414 304 T N 1.596 116.128 114.554 -0.036 0.000 2.904 304 T HA 0.197 4.547 4.350 -0.000 0.000 0.290 304 T C -1.709 172.955 174.700 -0.059 0.000 1.018 304 T CA -1.703 60.339 62.100 -0.096 0.000 1.075 304 T CB 1.147 69.886 68.868 -0.215 0.000 0.986 304 T HN 0.260 nan 8.240 nan 0.000 0.523 305 P HA -0.032 nan 4.420 nan 0.000 0.215 305 P C 0.356 177.645 177.300 -0.018 0.000 1.163 305 P CA 0.924 64.009 63.100 -0.025 0.000 0.894 305 P CB -0.037 31.652 31.700 -0.018 0.000 0.791 306 I N 0.007 120.561 120.570 -0.027 0.000 2.352 306 I HA 0.191 4.361 4.170 -0.000 0.000 0.290 306 I C -2.308 173.803 176.117 -0.011 0.000 1.036 306 I CA -3.552 57.743 61.300 -0.009 0.000 1.336 306 I CB 0.095 38.097 38.000 0.003 0.000 1.407 306 I HN -0.199 nan 8.210 nan 0.000 0.497 307 P HA 0.011 nan 4.420 nan 0.000 0.258 307 P C -0.115 177.203 177.300 0.031 0.000 1.172 307 P CA 0.595 63.700 63.100 0.008 0.000 0.762 307 P CB 0.270 31.973 31.700 0.005 0.000 0.764 308 T N 0.526 115.112 114.554 0.054 0.000 2.896 308 T HA 0.789 5.139 4.350 -0.000 0.000 0.297 308 T C -0.037 174.738 174.700 0.126 0.000 1.108 308 T CA -0.840 61.343 62.100 0.139 0.000 1.004 308 T CB 2.145 71.165 68.868 0.253 0.000 1.159 308 T HN 0.293 nan 8.240 nan 0.000 0.499 309 G N -0.446 108.444 108.800 0.149 0.000 3.016 309 G HA2 0.673 4.632 3.960 -0.000 0.000 0.270 309 G HA3 0.673 4.632 3.960 -0.000 0.000 0.270 309 G C -0.993 174.010 174.900 0.171 0.000 1.352 309 G CA -0.653 44.518 45.100 0.119 0.000 1.060 309 G HN 1.088 nan 8.290 nan 0.000 0.538 310 V N 1.625 121.616 119.914 0.128 0.000 2.472 310 V HA 0.636 4.756 4.120 -0.000 0.000 0.290 310 V C -2.030 174.143 176.094 0.132 0.000 1.037 310 V CA -2.140 60.236 62.300 0.126 0.000 0.908 310 V CB 1.834 33.710 31.823 0.088 0.000 0.985 310 V HN 0.602 nan 8.190 nan 0.000 0.454 311 P HA 0.339 nan 4.420 nan 0.000 0.274 311 P C -1.572 175.788 177.300 0.099 0.000 1.231 311 P CA -0.498 62.678 63.100 0.126 0.000 0.790 311 P CB 0.745 32.509 31.700 0.107 0.000 0.951 312 K N 1.029 121.492 120.400 0.105 0.000 2.464 312 K HA 0.352 4.672 4.320 -0.000 0.000 0.252 312 K C 0.337 176.959 176.600 0.036 0.000 1.000 312 K CA -0.357 55.974 56.287 0.073 0.000 0.951 312 K CB 0.532 33.086 32.500 0.090 0.000 1.183 312 K HN 0.452 nan 8.250 nan 0.000 0.445 313 T N -1.712 112.845 114.554 0.006 0.000 2.847 313 T HA 0.307 4.657 4.350 -0.000 0.000 0.279 313 T C 1.567 176.251 174.700 -0.028 0.000 0.984 313 T CA -0.378 61.707 62.100 -0.025 0.000 0.988 313 T CB 1.486 70.322 68.868 -0.053 0.000 1.040 313 T HN 0.445 nan 8.240 nan 0.000 0.528 314 G N 0.185 108.956 108.800 -0.047 0.000 2.513 314 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.219 314 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.219 314 G C 1.408 176.319 174.900 0.018 0.000 1.160 314 G CA 1.171 46.252 45.100 -0.032 0.000 0.767 314 G HN 0.778 nan 8.290 nan 0.000 0.571 315 M N -0.451 119.153 119.600 0.007 0.000 2.254 315 M HA 0.141 4.621 4.480 -0.000 0.000 0.265 315 M C 2.600 178.910 176.300 0.017 0.000 1.066 315 M CA 1.068 56.389 55.300 0.036 0.000 1.123 315 M CB -0.079 32.536 32.600 0.025 0.000 1.388 315 M HN 0.263 nan 8.290 nan 0.000 0.425 316 M N -0.250 119.345 119.600 -0.009 0.000 2.175 316 M HA -0.195 4.285 4.480 -0.000 0.000 0.264 316 M C 1.874 178.138 176.300 -0.061 0.000 1.063 316 M CA 1.508 56.789 55.300 -0.031 0.000 1.119 316 M CB -0.266 32.323 32.600 -0.019 0.000 1.377 316 M HN 0.305 nan 8.290 nan 0.000 0.415 317 I N -0.402 120.151 120.570 -0.029 0.000 2.333 317 I HA -0.220 3.950 4.170 -0.000 0.000 0.246 317 I C 2.156 178.261 176.117 -0.020 0.000 1.106 317 I CA 1.116 62.397 61.300 -0.032 0.000 1.411 317 I CB -0.430 37.573 38.000 0.006 0.000 1.082 317 I HN 0.293 nan 8.210 nan 0.000 0.420 318 E N 0.685 120.907 120.200 0.036 0.000 2.097 318 E HA -0.305 4.045 4.350 -0.000 0.000 0.196 318 E C 2.193 178.799 176.600 0.011 0.000 1.000 318 E CA 1.410 57.850 56.400 0.066 0.000 0.804 318 E CB -0.145 29.644 29.700 0.149 0.000 0.740 318 E HN 0.585 nan 8.360 nan 0.000 0.454 319 Q N 0.014 119.803 119.800 -0.019 0.000 2.079 319 Q HA -0.121 4.219 4.340 -0.000 0.000 0.200 319 Q C 2.238 178.163 176.000 -0.124 0.000 0.974 319 Q CA 1.206 56.979 55.803 -0.050 0.000 0.840 319 Q CB -0.081 28.630 28.738 -0.045 0.000 0.898 319 Q HN 0.293 nan 8.270 nan 0.000 0.430 320 M N 0.269 119.729 119.600 -0.233 0.000 2.082 320 M HA -0.260 4.220 4.480 -0.000 0.000 0.258 320 M C 2.405 178.599 176.300 -0.178 0.000 1.071 320 M CA 1.811 56.874 55.300 -0.395 0.000 1.103 320 M CB -0.483 31.805 32.600 -0.520 0.000 1.307 320 M HN 0.287 nan 8.290 nan 0.000 0.409 321 A N -0.164 122.594 122.820 -0.104 0.000 1.917 321 A HA -0.246 4.074 4.320 -0.000 0.000 0.219 321 A C 2.179 179.728 177.584 -0.059 0.000 1.182 321 A CA 2.059 54.058 52.037 -0.064 0.000 0.633 321 A CB -0.742 18.235 19.000 -0.039 0.000 0.819 321 A HN 0.518 nan 8.150 nan 0.000 0.448 322 M N -0.897 118.682 119.600 -0.035 0.000 2.067 322 M HA -0.183 4.297 4.480 -0.000 0.000 0.260 322 M C 2.524 178.857 176.300 0.055 0.000 1.069 322 M CA 1.621 56.928 55.300 0.011 0.000 1.117 322 M CB -0.332 32.280 32.600 0.021 0.000 1.334 322 M HN 0.503 nan 8.290 nan 0.000 0.407 323 A N -0.748 122.083 122.820 0.019 0.000 1.933 323 A HA -0.119 4.201 4.320 -0.000 0.000 0.218 323 A C 2.088 179.723 177.584 0.085 0.000 1.175 323 A CA 1.670 53.757 52.037 0.083 0.000 0.628 323 A CB -0.897 18.151 19.000 0.080 0.000 0.814 323 A HN 0.361 nan 8.150 nan 0.000 0.444 324 V N -0.412 119.494 119.914 -0.013 0.000 2.323 324 V HA -0.156 3.964 4.120 -0.000 0.000 0.244 324 V C 3.059 178.982 176.094 -0.286 0.000 1.041 324 V CA 1.659 63.867 62.300 -0.155 0.000 1.025 324 V CB -1.209 30.544 31.823 -0.117 0.000 0.656 324 V HN 0.607 nan 8.190 nan 0.000 0.451 325 A N -0.750 121.948 122.820 -0.204 0.000 1.903 325 A HA -0.315 4.005 4.320 -0.000 0.000 0.219 325 A C 2.138 179.570 177.584 -0.254 0.000 1.191 325 A CA 2.254 54.139 52.037 -0.253 0.000 0.638 325 A CB -0.917 17.941 19.000 -0.237 0.000 0.823 325 A HN 0.672 nan 8.150 nan 0.000 0.451 326 H N -0.471 118.527 119.070 -0.120 0.000 2.353 326 H HA -0.086 4.470 4.556 -0.000 0.000 0.300 326 H C 2.059 177.397 175.328 0.017 0.000 1.090 326 H CA 1.685 57.714 56.048 -0.032 0.000 1.327 326 H CB -0.332 29.409 29.762 -0.034 0.000 1.383 326 H HN 0.676 nan 8.280 nan 0.000 0.508 327 N N 0.243 118.999 118.700 0.093 0.000 2.120 327 N HA -0.101 4.639 4.740 -0.000 0.000 0.188 327 N C 2.011 177.422 175.510 -0.164 0.000 1.024 327 N CA 0.753 53.817 53.050 0.022 0.000 0.852 327 N CB 0.096 38.628 38.487 0.074 0.000 1.003 327 N HN 0.209 nan 8.380 nan 0.000 0.424 328 I N 0.468 120.761 120.570 -0.462 0.000 2.142 328 I HA -0.242 3.928 4.170 -0.000 0.000 0.240 328 I C 2.180 178.049 176.117 -0.414 0.000 1.078 328 I CA 0.920 61.822 61.300 -0.664 0.000 1.343 328 I CB -0.364 37.145 38.000 -0.819 0.000 1.046 328 I HN -0.007 nan 8.210 nan 0.000 0.405 329 V N 1.350 121.112 119.914 -0.253 0.000 2.252 329 V HA -0.326 3.794 4.120 -0.000 0.000 0.249 329 V C 2.150 178.227 176.094 -0.030 0.000 1.056 329 V CA 2.313 64.538 62.300 -0.125 0.000 1.022 329 V CB -0.841 30.914 31.823 -0.114 0.000 0.641 329 V HN 0.445 nan 8.190 nan 0.000 0.445 330 N N -0.030 118.683 118.700 0.022 0.000 2.149 330 N HA -0.184 4.556 4.740 -0.000 0.000 0.188 330 N C 1.561 177.110 175.510 0.064 0.000 1.019 330 N CA 1.709 54.800 53.050 0.068 0.000 0.857 330 N CB -0.447 38.104 38.487 0.107 0.000 0.997 330 N HN 0.646 nan 8.380 nan 0.000 0.426 331 D N -0.002 120.431 120.400 0.056 0.000 2.097 331 D HA -0.027 4.613 4.640 -0.000 0.000 0.195 331 D C 1.833 178.229 176.300 0.160 0.000 0.989 331 D CA 0.827 54.907 54.000 0.133 0.000 0.827 331 D CB -0.013 40.916 40.800 0.215 0.000 0.966 331 D HN 0.201 nan 8.370 nan 0.000 0.456 332 I N 0.190 120.836 120.570 0.126 0.000 2.208 332 I HA -0.215 3.955 4.170 -0.000 0.000 0.245 332 I C 1.905 178.086 176.117 0.106 0.000 1.097 332 I CA 1.082 62.474 61.300 0.154 0.000 1.363 332 I CB -0.255 37.812 38.000 0.113 0.000 1.051 332 I HN -0.002 nan 8.210 nan 0.000 0.413 333 R N 1.779 122.325 120.500 0.076 0.000 2.325 333 R HA 0.028 4.368 4.340 -0.000 0.000 0.214 333 R C -0.159 176.181 176.300 0.066 0.000 0.961 333 R CA 0.250 56.389 56.100 0.065 0.000 1.086 333 R CB -1.033 29.300 30.300 0.055 0.000 1.037 333 R HN 0.593 nan 8.270 nan 0.000 0.493 334 N N 1.638 120.386 118.700 0.080 0.000 2.837 334 N HA -0.254 4.486 4.740 -0.000 0.000 0.293 334 N C -0.849 174.696 175.510 0.058 0.000 1.035 334 N CA 0.362 53.457 53.050 0.075 0.000 0.831 334 N CB -0.763 37.767 38.487 0.071 0.000 0.957 334 N HN 0.204 nan 8.380 nan 0.000 0.594 335 N N 1.370 120.104 118.700 0.057 0.000 2.424 335 N HA 0.256 4.996 4.740 -0.000 0.000 0.271 335 N C -1.541 173.988 175.510 0.032 0.000 0.985 335 N CA -2.147 50.929 53.050 0.044 0.000 0.921 335 N CB 1.453 39.972 38.487 0.054 0.000 1.149 335 N HN 0.164 nan 8.380 nan 0.000 0.492 336 P HA -0.006 nan 4.420 nan 0.000 0.223 336 P C -0.522 176.764 177.300 -0.024 0.000 1.151 336 P CA 0.630 63.734 63.100 0.007 0.000 0.787 336 P CB 0.261 31.962 31.700 0.002 0.000 0.788 337 D N 1.543 121.904 120.400 -0.064 0.000 2.450 337 D HA 0.113 4.753 4.640 -0.000 0.000 0.247 337 D C 0.477 176.642 176.300 -0.224 0.000 1.162 337 D CA 0.738 54.633 54.000 -0.174 0.000 0.879 337 D CB 0.666 41.320 40.800 -0.244 0.000 1.163 337 D HN 0.128 nan 8.370 nan 0.000 0.472 338 K N 1.948 122.202 120.400 -0.244 0.000 2.203 338 K HA 0.381 4.701 4.320 -0.000 0.000 0.251 338 K C -0.808 175.607 176.600 -0.308 0.000 0.944 338 K CA -0.810 55.379 56.287 -0.163 0.000 0.829 338 K CB 1.532 34.034 32.500 0.004 0.000 1.125 338 K HN 0.310 nan 8.250 nan 0.000 0.430 339 Y N 0.116 120.457 120.300 0.068 0.000 2.387 339 Y HA 0.470 5.020 4.550 -0.000 0.000 0.336 339 Y C 0.131 176.086 175.900 0.093 0.000 1.067 339 Y CA -0.758 57.372 58.100 0.049 0.000 1.114 339 Y CB 1.984 40.447 38.460 0.004 0.000 1.208 339 Y HN 0.594 nan 8.280 nan 0.000 0.458 340 A N 4.762 127.733 122.820 0.252 0.000 2.330 340 A HA 0.722 5.042 4.320 -0.000 0.000 0.327 340 A C -2.806 174.884 177.584 0.176 0.000 1.155 340 A CA -2.063 50.106 52.037 0.221 0.000 0.803 340 A CB 0.802 19.915 19.000 0.190 0.000 1.208 340 A HN 0.440 nan 8.150 nan 0.000 0.477 341 P HA 0.197 nan 4.420 nan 0.000 0.275 341 P C 0.311 177.651 177.300 0.067 0.000 1.228 341 P CA -0.289 62.831 63.100 0.033 0.000 0.786 341 P CB 1.164 32.785 31.700 -0.131 0.000 0.927 342 R N 3.398 123.932 120.500 0.056 0.000 2.096 342 R HA 0.008 4.348 4.340 -0.000 0.000 0.235 342 R C 0.950 177.263 176.300 0.022 0.000 1.127 342 R CA 1.124 57.255 56.100 0.050 0.000 0.968 342 R CB -1.225 29.078 30.300 0.006 0.000 0.861 342 R HN 0.511 nan 8.270 nan 0.000 0.440 343 L N 1.385 122.608 121.223 0.000 0.000 3.598 343 L HA -0.236 4.104 4.340 -0.000 0.000 0.422 343 L C -0.389 176.459 176.870 -0.037 0.000 1.262 343 L CA 0.396 55.232 54.840 -0.008 0.000 0.889 343 L CB -2.453 39.630 42.059 0.040 0.000 1.857 343 L HN 0.443 nan 8.230 nan 0.000 0.858 344 S N -0.861 114.810 115.700 -0.047 0.000 2.672 344 S HA 0.891 5.361 4.470 -0.000 0.000 0.276 344 S C 0.104 174.672 174.600 -0.054 0.000 1.207 344 S CA -0.022 58.123 58.200 -0.092 0.000 1.002 344 S CB 2.658 65.827 63.200 -0.052 0.000 0.998 344 S HN 0.772 nan 8.310 nan 0.000 0.542 345 A N 1.247 124.008 122.820 -0.097 0.000 2.488 345 A HA 0.649 4.969 4.320 -0.000 0.000 0.295 345 A C -0.912 176.685 177.584 0.022 0.000 1.045 345 A CA -0.766 51.246 52.037 -0.042 0.000 0.703 345 A CB 0.839 19.785 19.000 -0.089 0.000 1.271 345 A HN 0.833 nan 8.150 nan 0.000 0.400 346 I N 1.492 122.078 120.570 0.028 0.000 2.321 346 I HA 0.377 4.547 4.170 -0.000 0.000 0.291 346 I C -0.544 175.453 176.117 -0.200 0.000 0.998 346 I CA -0.276 60.964 61.300 -0.100 0.000 1.227 346 I CB 1.284 39.221 38.000 -0.106 0.000 1.368 346 I HN 0.600 nan 8.210 nan 0.000 0.466 347 C N 7.292 126.429 119.300 -0.271 0.000 2.498 347 C HA 0.584 5.044 4.460 -0.000 0.000 0.316 347 C C -0.111 174.772 174.990 -0.179 0.000 1.209 347 C CA -0.513 58.394 59.018 -0.185 0.000 1.518 347 C CB 1.227 28.865 27.740 -0.171 0.000 2.147 347 C HN 0.576 nan 8.230 nan 0.000 0.483 348 I N 3.963 124.465 120.570 -0.114 0.000 2.495 348 I HA 0.339 4.509 4.170 -0.000 0.000 0.277 348 I C 0.474 176.540 176.117 -0.084 0.000 1.045 348 I CA -0.040 61.189 61.300 -0.118 0.000 1.135 348 I CB 1.071 39.039 38.000 -0.054 0.000 1.241 348 I HN 0.747 nan 8.210 nan 0.000 0.469 349 A N 4.748 127.503 122.820 -0.108 0.000 2.438 349 A HA 0.149 4.469 4.320 -0.000 0.000 0.280 349 A C -0.078 177.226 177.584 -0.467 0.000 1.160 349 A CA -0.129 51.855 52.037 -0.088 0.000 0.821 349 A CB 0.011 19.131 19.000 0.200 0.000 1.101 349 A HN 0.637 nan 8.150 nan 0.000 0.515 350 D N 2.153 122.454 120.400 -0.165 0.000 2.308 350 D HA 0.314 4.954 4.640 -0.000 0.000 0.251 350 D C -0.207 176.069 176.300 -0.040 0.000 1.127 350 D CA -0.046 53.867 54.000 -0.146 0.000 0.876 350 D CB 0.385 41.328 40.800 0.238 0.000 1.176 350 D HN 0.379 nan 8.370 nan 0.000 0.446 351 F N 1.379 121.346 119.950 0.028 0.000 2.678 351 F HA 0.301 4.827 4.527 -0.000 0.000 0.305 351 F C 1.762 177.502 175.800 -0.099 0.000 1.090 351 F CA 0.084 58.094 58.000 0.017 0.000 1.272 351 F CB 0.294 39.303 39.000 0.016 0.000 1.060 351 F HN 0.624 nan 8.300 nan 0.000 0.576 352 G N 0.427 109.136 108.800 -0.153 0.000 2.134 352 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.225 352 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.225 352 G C 1.061 175.251 174.900 -1.184 0.000 1.944 352 G CA 0.107 44.768 45.100 -0.732 0.000 1.512 352 G HN 0.204 nan 8.290 nan 0.000 0.493 353 E N 1.312 120.826 120.200 -1.143 0.000 2.107 353 E HA 0.105 4.455 4.350 -0.000 0.000 0.191 353 E C 0.677 176.946 176.600 -0.552 0.000 0.982 353 E CA 1.575 57.541 56.400 -0.724 0.000 0.809 353 E CB 0.006 29.549 29.700 -0.263 0.000 0.756 353 E HN 0.616 nan 8.360 nan 0.000 0.459 354 D N -1.220 118.970 120.400 -0.350 0.000 2.687 354 D HA 0.626 5.266 4.640 -0.000 0.000 0.264 354 D C -0.869 175.281 176.300 -0.250 0.000 1.091 354 D CA -0.886 52.973 54.000 -0.234 0.000 1.123 354 D CB 1.212 41.967 40.800 -0.076 0.000 1.407 354 D HN 0.068 nan 8.370 nan 0.000 0.591 355 A N -1.388 121.210 122.820 -0.369 0.000 2.593 355 A HA 0.805 5.125 4.320 -0.000 0.000 0.290 355 A C -0.540 176.604 177.584 -0.733 0.000 1.126 355 A CA -0.488 51.065 52.037 -0.807 0.000 0.695 355 A CB 1.490 20.147 19.000 -0.573 0.000 1.290 355 A HN 0.808 nan 8.150 nan 0.000 0.414 356 G N -0.633 107.584 108.800 -0.971 0.000 2.415 356 G HA2 0.576 4.536 3.960 -0.000 0.000 0.327 356 G HA3 0.576 4.536 3.960 -0.000 0.000 0.327 356 G C -1.248 173.334 174.900 -0.530 0.000 1.182 356 G CA -0.367 44.451 45.100 -0.469 0.000 0.924 356 G HN 0.950 nan 8.290 nan 0.000 0.470 357 F N 2.720 122.243 119.950 -0.713 0.000 2.426 357 F HA 0.764 5.291 4.527 -0.000 0.000 0.348 357 F C -1.463 173.965 175.800 -0.620 0.000 1.124 357 F CA -1.393 56.282 58.000 -0.542 0.000 1.008 357 F CB 1.127 39.891 39.000 -0.394 0.000 1.139 357 F HN 0.275 nan 8.300 nan 0.000 0.452 358 F N 7.000 126.582 119.950 -0.614 0.000 2.520 358 F HA 0.474 5.001 4.527 -0.000 0.000 0.322 358 F C -1.119 174.344 175.800 -0.562 0.000 1.103 358 F CA -1.093 56.651 58.000 -0.427 0.000 0.926 358 F CB 1.853 40.674 39.000 -0.299 0.000 1.154 358 F HN 0.404 nan 8.300 nan 0.000 0.453 359 F N 2.743 122.550 119.950 -0.240 0.000 2.579 359 F HA 0.785 5.312 4.527 -0.000 0.000 0.325 359 F C -1.205 174.572 175.800 -0.037 0.000 1.162 359 F CA -0.621 57.268 58.000 -0.185 0.000 0.946 359 F CB 0.941 39.889 39.000 -0.086 0.000 1.211 359 F HN 0.564 nan 8.300 nan 0.000 0.447 360 A N 4.547 126.994 122.820 -0.622 0.000 2.304 360 A HA 0.531 4.851 4.320 -0.000 0.000 0.314 360 A C -1.629 175.504 177.584 -0.752 0.000 1.187 360 A CA -0.506 51.192 52.037 -0.565 0.000 0.810 360 A CB 0.983 19.817 19.000 -0.276 0.000 1.183 360 A HN 0.657 nan 8.150 nan 0.000 0.487 361 D N 3.777 123.762 120.400 -0.691 0.000 2.446 361 D HA 0.538 5.178 4.640 -0.000 0.000 0.251 361 D C -2.756 173.421 176.300 -0.205 0.000 1.137 361 D CA -1.559 52.170 54.000 -0.451 0.000 0.890 361 D CB 1.838 42.400 40.800 -0.397 0.000 1.071 361 D HN 0.215 nan 8.370 nan 0.000 0.528 362 P HA 0.116 nan 4.420 nan 0.000 0.279 362 P C 1.029 178.241 177.300 -0.146 0.000 1.276 362 P CA -0.668 62.351 63.100 -0.135 0.000 0.801 362 P CB 1.097 32.763 31.700 -0.056 0.000 1.127 363 V N -0.051 119.789 119.914 -0.122 0.000 2.427 363 V HA -0.134 3.986 4.120 -0.000 0.000 0.248 363 V C 1.176 177.230 176.094 -0.067 0.000 1.051 363 V CA 1.525 63.762 62.300 -0.106 0.000 1.048 363 V CB -0.722 31.053 31.823 -0.079 0.000 0.666 363 V HN 0.387 nan 8.190 nan 0.000 0.456 364 I N 1.691 122.239 120.570 -0.035 0.000 2.337 364 I HA 0.242 4.412 4.170 -0.000 0.000 0.291 364 I C -2.214 173.890 176.117 -0.021 0.000 1.046 364 I CA -1.859 59.432 61.300 -0.015 0.000 1.324 364 I CB 0.873 38.884 38.000 0.017 0.000 1.409 364 I HN 0.100 nan 8.210 nan 0.000 0.494 365 P HA 0.095 nan 4.420 nan 0.000 0.270 365 P C -2.338 174.959 177.300 -0.005 0.000 1.223 365 P CA -0.769 62.319 63.100 -0.021 0.000 0.785 365 P CB -0.328 31.359 31.700 -0.022 0.000 0.923 366 P HA 0.213 nan 4.420 nan 0.000 0.275 366 P C -0.597 176.694 177.300 -0.015 0.000 1.228 366 P CA -0.029 63.067 63.100 -0.007 0.000 0.786 366 P CB 0.937 32.638 31.700 0.001 0.000 0.927 367 R N 1.316 121.801 120.500 -0.025 0.000 2.474 367 R HA 0.189 4.529 4.340 -0.000 0.000 0.295 367 R C 0.988 177.274 176.300 -0.024 0.000 0.980 367 R CA -0.570 55.505 56.100 -0.041 0.000 0.934 367 R CB 1.272 31.533 30.300 -0.065 0.000 1.101 367 R HN 0.455 nan 8.270 nan 0.000 0.469 368 E N 2.299 122.484 120.200 -0.025 0.000 2.028 368 E HA -0.114 4.236 4.350 -0.000 0.000 0.191 368 E C -0.008 176.598 176.600 0.009 0.000 0.988 368 E CA 1.440 57.841 56.400 0.001 0.000 0.799 368 E CB 0.369 30.076 29.700 0.011 0.000 0.755 368 E HN 0.548 nan 8.360 nan 0.000 0.447 369 R N -1.656 118.838 120.500 -0.009 0.000 2.692 369 R HA 0.498 4.838 4.340 -0.000 0.000 0.269 369 R C -1.343 174.942 176.300 -0.025 0.000 1.030 369 R CA -0.582 55.534 56.100 0.026 0.000 0.882 369 R CB 1.177 31.539 30.300 0.104 0.000 1.250 369 R HN -0.010 nan 8.270 nan 0.000 0.465 370 V N -0.899 119.040 119.914 0.041 0.000 3.102 370 V HA 0.806 4.926 4.120 -0.000 0.000 0.312 370 V C -0.626 175.597 176.094 0.215 0.000 1.135 370 V CA -1.049 61.282 62.300 0.051 0.000 1.022 370 V CB 2.073 33.910 31.823 0.023 0.000 1.056 370 V HN 0.810 nan 8.190 nan 0.000 0.436 371 I N 0.907 121.664 120.570 0.310 0.000 2.569 371 I HA 0.606 4.776 4.170 -0.000 0.000 0.290 371 I C -0.624 175.684 176.117 0.317 0.000 1.088 371 I CA -0.229 61.279 61.300 0.347 0.000 1.047 371 I CB 2.656 40.950 38.000 0.489 0.000 1.237 371 I HN 0.755 nan 8.210 nan 0.000 0.421 372 T N 5.637 120.332 114.554 0.235 0.000 2.930 372 T HA 0.480 4.829 4.350 -0.000 0.000 0.313 372 T C -0.638 174.112 174.700 0.085 0.000 1.019 372 T CA -0.729 61.453 62.100 0.137 0.000 1.004 372 T CB 0.754 69.746 68.868 0.207 0.000 0.987 372 T HN 0.426 nan 8.240 nan 0.000 0.456 373 K N 2.573 123.007 120.400 0.055 0.000 2.482 373 K HA 0.711 5.031 4.320 -0.000 0.000 0.257 373 K C -1.208 175.399 176.600 0.013 0.000 0.969 373 K CA -0.956 55.399 56.287 0.114 0.000 0.842 373 K CB 3.116 35.769 32.500 0.255 0.000 1.359 373 K HN 0.369 nan 8.250 nan 0.000 0.441 374 M N 0.919 120.559 119.600 0.067 0.000 2.378 374 M HA 0.571 5.051 4.480 -0.000 0.000 0.289 374 M C -1.335 174.973 176.300 0.014 0.000 1.136 374 M CA -0.134 55.156 55.300 -0.016 0.000 0.917 374 M CB 2.325 34.961 32.600 0.059 0.000 1.669 374 M HN 0.867 nan 8.290 nan 0.000 0.461 375 G N 2.518 111.211 108.800 -0.180 0.000 2.328 375 G HA2 0.101 4.061 3.960 -0.000 0.000 0.299 375 G HA3 0.101 4.061 3.960 -0.000 0.000 0.299 375 G C -0.668 174.060 174.900 -0.287 0.000 1.435 375 G CA -0.742 44.295 45.100 -0.106 0.000 0.865 375 G HN 0.787 nan 8.290 nan 0.000 0.601 376 K N -0.350 119.988 120.400 -0.102 0.000 2.160 376 K HA -0.116 4.204 4.320 -0.000 0.000 0.206 376 K C 2.243 178.716 176.600 -0.212 0.000 1.047 376 K CA 2.442 58.622 56.287 -0.178 0.000 0.930 376 K CB -0.136 32.342 32.500 -0.037 0.000 0.720 376 K HN 0.683 nan 8.250 nan 0.000 0.450 377 W N 0.543 121.830 121.300 -0.022 0.000 2.342 377 W HA -0.125 4.535 4.660 -0.000 0.000 0.297 377 W C 1.601 178.147 176.519 0.044 0.000 1.213 377 W CA 0.970 58.352 57.345 0.062 0.000 1.251 377 W CB -0.748 28.718 29.460 0.010 0.000 1.136 377 W HN -0.004 nan 8.180 nan 0.000 0.526 378 A N 0.913 123.096 122.820 -1.061 0.000 1.968 378 A HA -0.238 4.082 4.320 -0.000 0.000 0.217 378 A C 2.185 179.565 177.584 -0.339 0.000 1.169 378 A CA 1.629 53.062 52.037 -1.006 0.000 0.638 378 A CB -1.529 16.693 19.000 -1.297 0.000 0.812 378 A HN 0.605 nan 8.150 nan 0.000 0.446 379 H N -1.706 117.102 119.070 -0.436 0.000 2.321 379 H HA -0.196 4.360 4.556 -0.000 0.000 0.300 379 H C 1.823 177.062 175.328 -0.149 0.000 1.087 379 H CA 2.214 58.061 56.048 -0.334 0.000 1.319 379 H CB -0.150 29.317 29.762 -0.493 0.000 1.379 379 H HN 0.523 nan 8.280 nan 0.000 0.501 380 Y N -0.265 119.941 120.300 -0.156 0.000 2.224 380 Y HA -0.164 4.386 4.550 -0.000 0.000 0.289 380 Y C 2.643 178.520 175.900 -0.039 0.000 1.146 380 Y CA 0.939 58.945 58.100 -0.155 0.000 1.182 380 Y CB -1.186 37.270 38.460 -0.006 0.000 0.983 380 Y HN 0.197 nan 8.280 nan 0.000 0.524 381 F N 0.968 120.975 119.950 0.095 0.000 2.161 381 F HA -0.233 4.294 4.527 -0.000 0.000 0.300 381 F C 2.411 178.277 175.800 0.110 0.000 1.089 381 F CA 1.847 59.913 58.000 0.110 0.000 1.282 381 F CB -0.170 38.914 39.000 0.140 0.000 1.010 381 F HN -0.066 nan 8.300 nan 0.000 0.485 382 K N -0.572 119.952 120.400 0.206 0.000 2.025 382 K HA -0.140 4.180 4.320 -0.000 0.000 0.207 382 K C 1.961 178.636 176.600 0.125 0.000 1.049 382 K CA 1.885 58.295 56.287 0.205 0.000 0.933 382 K CB -0.381 32.212 32.500 0.155 0.000 0.714 382 K HN 0.208 nan 8.250 nan 0.000 0.438 383 T N 1.069 115.612 114.554 -0.017 0.000 2.665 383 T HA -0.204 4.146 4.350 -0.000 0.000 0.268 383 T C 1.901 176.581 174.700 -0.033 0.000 1.035 383 T CA 1.513 63.586 62.100 -0.045 0.000 1.151 383 T CB -0.401 68.404 68.868 -0.104 0.000 0.862 383 T HN 0.394 nan 8.240 nan 0.000 0.438 384 A N 1.248 124.031 122.820 -0.061 0.000 1.883 384 A HA -0.054 4.266 4.320 -0.000 0.000 0.217 384 A C 2.043 179.575 177.584 -0.086 0.000 1.186 384 A CA 1.605 53.572 52.037 -0.115 0.000 0.624 384 A CB -1.045 17.828 19.000 -0.212 0.000 0.822 384 A HN 0.498 nan 8.150 nan 0.000 0.444 385 F N 0.915 120.736 119.950 -0.215 0.000 2.216 385 F HA -0.120 4.407 4.527 -0.000 0.000 0.300 385 F C 2.070 177.915 175.800 0.075 0.000 1.085 385 F CA 1.889 59.862 58.000 -0.044 0.000 1.326 385 F CB -0.208 38.795 39.000 0.006 0.000 1.027 385 F HN 0.476 nan 8.300 nan 0.000 0.497 386 E N 0.403 120.507 120.200 -0.160 0.000 2.031 386 E HA -0.233 4.117 4.350 -0.000 0.000 0.193 386 E C 2.096 178.428 176.600 -0.447 0.000 0.994 386 E CA 1.277 57.401 56.400 -0.461 0.000 0.800 386 E CB -0.023 29.620 29.700 -0.095 0.000 0.752 386 E HN 0.183 nan 8.360 nan 0.000 0.447 387 K N 0.244 120.523 120.400 -0.202 0.000 2.074 387 K HA -0.210 4.110 4.320 -0.000 0.000 0.209 387 K C 2.076 178.630 176.600 -0.078 0.000 1.048 387 K CA 1.356 57.572 56.287 -0.119 0.000 0.926 387 K CB -0.986 31.473 32.500 -0.068 0.000 0.713 387 K HN 0.334 nan 8.250 nan 0.000 0.444 388 Y N 0.487 120.656 120.300 -0.219 0.000 2.097 388 Y HA -0.245 4.305 4.550 -0.000 0.000 0.282 388 Y C 2.271 178.082 175.900 -0.148 0.000 1.152 388 Y CA 1.530 59.536 58.100 -0.156 0.000 1.136 388 Y CB -0.741 37.644 38.460 -0.125 0.000 0.975 388 Y HN 0.020 nan 8.280 nan 0.000 0.498 389 F N -0.070 119.472 119.950 -0.680 0.000 2.134 389 F HA -0.212 4.314 4.527 -0.000 0.000 0.299 389 F C 2.122 177.624 175.800 -0.497 0.000 1.097 389 F CA 1.618 59.176 58.000 -0.736 0.000 1.264 389 F CB -0.452 37.981 39.000 -0.945 0.000 1.001 389 F HN 0.043 nan 8.300 nan 0.000 0.479 390 L N -1.367 119.649 121.223 -0.344 0.000 2.042 390 L HA -0.263 4.077 4.340 -0.000 0.000 0.210 390 L C 2.273 179.036 176.870 -0.178 0.000 1.076 390 L CA 1.785 56.506 54.840 -0.199 0.000 0.749 390 L CB -0.934 41.038 42.059 -0.145 0.000 0.893 390 L HN 0.423 nan 8.230 nan 0.000 0.432 391 W N 1.387 122.494 121.300 -0.323 0.000 2.333 391 W HA -0.237 4.423 4.660 -0.000 0.000 0.316 391 W C 2.574 178.887 176.519 -0.343 0.000 1.215 391 W CA 1.650 58.833 57.345 -0.269 0.000 1.278 391 W CB -0.041 29.289 29.460 -0.216 0.000 1.154 391 W HN -0.092 nan 8.180 nan 0.000 0.486 392 K N -0.253 119.948 120.400 -0.332 0.000 2.044 392 K HA -0.242 4.078 4.320 -0.000 0.000 0.210 392 K C 1.784 178.034 176.600 -0.584 0.000 1.049 392 K CA 2.245 58.187 56.287 -0.576 0.000 0.927 392 K CB -1.094 30.984 32.500 -0.705 0.000 0.713 392 K HN 0.139 nan 8.250 nan 0.000 0.443 393 V N 1.443 121.018 119.914 -0.565 0.000 2.255 393 V HA -0.270 3.850 4.120 -0.000 0.000 0.247 393 V C 2.260 178.232 176.094 -0.203 0.000 1.051 393 V CA 1.774 63.851 62.300 -0.371 0.000 1.018 393 V CB -0.516 30.986 31.823 -0.534 0.000 0.641 393 V HN 0.309 nan 8.190 nan 0.000 0.445 394 R N 0.067 120.401 120.500 -0.277 0.000 2.193 394 R HA -0.106 4.234 4.340 -0.000 0.000 0.229 394 R C 1.313 177.452 176.300 -0.269 0.000 1.110 394 R CA 1.494 57.463 56.100 -0.220 0.000 0.988 394 R CB -0.209 29.962 30.300 -0.216 0.000 0.871 394 R HN 0.588 nan 8.270 nan 0.000 0.458 395 N N -1.532 116.832 118.700 -0.560 0.000 2.187 395 N HA 0.124 4.864 4.740 -0.000 0.000 0.212 395 N C 0.365 175.400 175.510 -0.792 0.000 1.152 395 N CA 0.579 53.253 53.050 -0.626 0.000 0.872 395 N CB 1.750 39.523 38.487 -1.188 0.000 1.025 395 N HN 0.210 nan 8.380 nan 0.000 0.514 396 G N 0.774 108.823 108.800 -1.251 0.000 2.155 396 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.257 396 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.257 396 G C -0.130 173.835 174.900 -1.559 0.000 0.983 396 G CA 0.006 43.610 45.100 -2.494 0.000 0.676 396 G HN 0.379 nan 8.290 nan 0.000 0.528 397 N N 0.248 118.436 118.700 -0.854 0.000 2.623 397 N HA 0.443 5.183 4.740 -0.000 0.000 0.256 397 N C 1.218 176.563 175.510 -0.275 0.000 1.045 397 N CA -0.835 51.945 53.050 -0.450 0.000 0.863 397 N CB 0.489 38.797 38.487 -0.299 0.000 1.182 397 N HN -0.048 nan 8.380 nan 0.000 0.523 398 I N 0.745 121.231 120.570 -0.140 0.000 2.876 398 I HA 0.090 4.260 4.170 -0.000 0.000 0.264 398 I C 0.749 176.821 176.117 -0.076 0.000 1.204 398 I CA 0.612 61.823 61.300 -0.148 0.000 1.485 398 I CB -0.515 37.430 38.000 -0.092 0.000 1.103 398 I HN 0.474 nan 8.210 nan 0.000 0.446 399 A N 3.136 125.922 122.820 -0.055 0.000 3.204 399 A HA 0.470 4.790 4.320 -0.000 0.000 0.327 399 A C -2.345 175.216 177.584 -0.038 0.000 0.998 399 A CA -1.055 50.968 52.037 -0.024 0.000 0.891 399 A CB -0.385 18.613 19.000 -0.004 0.000 1.061 399 A HN -0.042 nan 8.150 nan 0.000 0.478 400 P HA 0.033 nan 4.420 nan 0.000 0.268 400 P C 1.254 178.518 177.300 -0.059 0.000 1.205 400 P CA 0.504 63.606 63.100 0.003 0.000 0.771 400 P CB 1.263 33.040 31.700 0.128 0.000 0.858 401 S N 3.286 119.020 115.700 0.057 0.000 2.387 401 S HA -0.261 4.209 4.470 -0.000 0.000 0.230 401 S C 1.769 176.409 174.600 0.066 0.000 1.035 401 S CA 1.623 59.861 58.200 0.062 0.000 1.014 401 S CB -1.574 61.686 63.200 0.100 0.000 0.836 401 S HN 0.540 nan 8.310 nan 0.000 0.466 402 F N 1.803 121.801 119.950 0.079 0.000 2.234 402 F HA 0.209 4.736 4.527 -0.000 0.000 0.299 402 F C 2.287 178.142 175.800 0.092 0.000 1.087 402 F CA 1.052 59.096 58.000 0.073 0.000 1.340 402 F CB -0.836 38.199 39.000 0.059 0.000 1.031 402 F HN 0.279 nan 8.300 nan 0.000 0.500 403 E N 0.531 120.218 120.200 -0.855 0.000 2.110 403 E HA -0.241 4.109 4.350 -0.000 0.000 0.193 403 E C 2.201 178.729 176.600 -0.121 0.000 0.988 403 E CA 1.209 57.301 56.400 -0.513 0.000 0.804 403 E CB -0.241 29.203 29.700 -0.427 0.000 0.745 403 E HN 0.653 nan 8.360 nan 0.000 0.458 404 E N 0.541 120.695 120.200 -0.077 0.000 2.047 404 E HA -0.181 4.169 4.350 -0.000 0.000 0.191 404 E C 1.987 178.609 176.600 0.038 0.000 0.987 404 E CA 0.987 57.389 56.400 0.004 0.000 0.799 404 E CB 0.135 29.841 29.700 0.009 0.000 0.752 404 E HN 0.188 nan 8.360 nan 0.000 0.449 405 K N 0.171 120.600 120.400 0.049 0.000 2.057 405 K HA -0.111 4.209 4.320 -0.000 0.000 0.207 405 K C 2.248 178.896 176.600 0.080 0.000 1.049 405 K CA 1.162 57.488 56.287 0.065 0.000 0.931 405 K CB -0.152 32.395 32.500 0.078 0.000 0.714 405 K HN 0.002 nan 8.250 nan 0.000 0.440 406 V N 2.117 122.106 119.914 0.125 0.000 2.252 406 V HA -0.277 3.843 4.120 -0.000 0.000 0.249 406 V C 2.283 178.517 176.094 0.234 0.000 1.056 406 V CA 1.781 64.206 62.300 0.208 0.000 1.022 406 V CB -0.434 31.546 31.823 0.261 0.000 0.641 406 V HN 0.269 nan 8.190 nan 0.000 0.445 407 L N -0.560 120.753 121.223 0.150 0.000 2.083 407 L HA -0.214 4.126 4.340 -0.000 0.000 0.209 407 L C 2.524 179.442 176.870 0.080 0.000 1.083 407 L CA 1.761 56.669 54.840 0.112 0.000 0.752 407 L CB -0.521 41.581 42.059 0.071 0.000 0.899 407 L HN 0.382 nan 8.230 nan 0.000 0.433 408 E N 0.418 120.658 120.200 0.067 0.000 2.077 408 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 408 E C 2.267 178.875 176.600 0.014 0.000 0.989 408 E CA 1.147 57.577 56.400 0.050 0.000 0.800 408 E CB 0.006 29.739 29.700 0.055 0.000 0.746 408 E HN 0.418 nan 8.360 nan 0.000 0.452 409 I N -0.305 120.252 120.570 -0.021 0.000 2.163 409 I HA -0.250 3.920 4.170 -0.000 0.000 0.240 409 I C 1.759 177.747 176.117 -0.216 0.000 1.081 409 I CA 1.038 62.245 61.300 -0.156 0.000 1.353 409 I CB -0.141 37.695 38.000 -0.273 0.000 1.054 409 I HN 0.128 nan 8.210 nan 0.000 0.407 410 F N -0.036 119.879 119.950 -0.058 0.000 2.234 410 F HA 0.011 4.538 4.527 -0.000 0.000 0.296 410 F C 1.848 177.564 175.800 -0.139 0.000 1.089 410 F CA 1.144 59.083 58.000 -0.103 0.000 1.343 410 F CB -0.012 38.916 39.000 -0.120 0.000 1.040 410 F HN -0.098 nan 8.300 nan 0.000 0.498 411 L N -1.420 119.818 121.223 0.024 0.000 2.966 411 L HA 0.222 4.562 4.340 -0.000 0.000 0.262 411 L C 0.177 177.054 176.870 0.011 0.000 1.165 411 L CA -0.098 54.672 54.840 -0.116 0.000 0.978 411 L CB 0.064 41.841 42.059 -0.471 0.000 1.337 411 L HN -0.131 nan 8.230 nan 0.000 0.563 412 K N 1.028 121.449 120.400 0.034 0.000 3.148 412 K HA -0.143 4.177 4.320 -0.000 0.000 0.267 412 K C -0.693 175.940 176.600 0.056 0.000 0.996 412 K CA 0.097 56.421 56.287 0.061 0.000 0.737 412 K CB -1.065 31.479 32.500 0.073 0.000 1.308 412 K HN 0.046 nan 8.250 nan 0.000 0.470 413 V N 2.239 122.179 119.914 0.044 0.000 2.347 413 V HA 0.225 4.345 4.120 -0.000 0.000 0.280 413 V C 0.015 176.104 176.094 -0.008 0.000 1.021 413 V CA -0.681 61.613 62.300 -0.010 0.000 0.847 413 V CB 0.951 32.821 31.823 0.079 0.000 0.990 413 V HN 0.402 nan 8.190 nan 0.000 0.444 414 H N 5.063 124.174 119.070 0.069 0.000 2.519 414 H HA 0.510 5.066 4.556 -0.000 0.000 0.316 414 H C -2.198 173.153 175.328 0.038 0.000 1.065 414 H CA -2.699 53.374 56.048 0.041 0.000 1.264 414 H CB 1.120 30.901 29.762 0.031 0.000 1.413 414 H HN 0.297 nan 8.280 nan 0.000 0.465 415 P HA -0.037 nan 4.420 nan 0.000 0.220 415 P C 0.187 177.525 177.300 0.064 0.000 1.152 415 P CA 0.788 63.921 63.100 0.054 0.000 0.812 415 P CB 0.718 32.440 31.700 0.037 0.000 0.792 416 I N -3.894 116.722 120.570 0.076 0.000 2.828 416 I HA 0.595 4.765 4.170 -0.000 0.000 0.302 416 I C -0.889 175.314 176.117 0.144 0.000 1.101 416 I CA -1.377 59.965 61.300 0.071 0.000 1.031 416 I CB 2.735 40.699 38.000 -0.060 0.000 1.231 416 I HN -0.316 nan 8.210 nan 0.000 0.427 417 E N 3.885 124.206 120.200 0.202 0.000 2.256 417 E HA 0.515 4.865 4.350 -0.000 0.000 0.267 417 E C -1.254 175.509 176.600 0.272 0.000 0.892 417 E CA -1.025 55.489 56.400 0.191 0.000 0.775 417 E CB 2.913 32.705 29.700 0.153 0.000 1.207 417 E HN 0.507 nan 8.360 nan 0.000 0.420 418 L N 1.625 122.962 121.223 0.190 0.000 2.540 418 L HA 0.005 4.345 4.340 -0.000 0.000 0.276 418 L C -0.237 176.622 176.870 -0.019 0.000 1.212 418 L CA 0.012 54.847 54.840 -0.007 0.000 0.893 418 L CB 0.285 42.315 42.059 -0.049 0.000 1.138 418 L HN 0.558 nan 8.230 nan 0.000 0.491 419 c N 4.843 123.396 118.600 -0.078 0.000 2.322 419 c HA 0.203 4.773 4.570 -0.000 0.000 0.324 419 c C 1.357 175.422 174.090 -0.042 0.000 1.284 419 c CA -0.862 55.455 56.329 -0.019 0.000 1.606 419 c CB 1.014 43.540 42.510 0.028 0.000 2.251 419 c HN 0.991 nan 8.230 nan 0.000 0.502 420 K N 2.186 122.576 120.400 -0.017 0.000 2.243 420 K HA 0.044 4.364 4.320 -0.000 0.000 0.201 420 K C -0.194 176.401 176.600 -0.009 0.000 1.051 420 K CA 1.240 57.516 56.287 -0.019 0.000 0.970 420 K CB 0.157 32.652 32.500 -0.009 0.000 0.755 420 K HN 0.814 nan 8.250 nan 0.000 0.465 421 D N -1.487 118.915 120.400 0.004 0.000 2.861 421 D HA 0.123 4.763 4.640 -0.000 0.000 0.216 421 D C -0.429 175.884 176.300 0.022 0.000 1.323 421 D CA -0.712 53.294 54.000 0.010 0.000 0.917 421 D CB 1.073 41.878 40.800 0.008 0.000 1.582 421 D HN 0.056 nan 8.370 nan 0.000 0.576 422 c N 2.573 121.189 118.600 0.027 0.000 2.594 422 c HA 0.142 4.712 4.570 -0.000 0.000 0.265 422 c C 0.658 174.760 174.090 0.021 0.000 1.351 422 c CA -0.208 56.144 56.329 0.039 0.000 1.744 422 c CB -1.140 41.404 42.510 0.057 0.000 1.890 422 c HN 0.551 nan 8.230 nan 0.000 0.551 423 E N 1.494 121.700 120.200 0.011 0.000 2.168 423 E HA 0.406 4.756 4.350 -0.000 0.000 0.254 423 E C 0.664 177.264 176.600 -0.000 0.000 1.228 423 E CA 0.278 56.679 56.400 0.000 0.000 0.956 423 E CB -0.190 29.509 29.700 -0.002 0.000 1.031 423 E HN 0.667 nan 8.360 nan 0.000 0.441 424 G N 1.314 110.109 108.800 -0.008 0.000 2.320 424 G HA2 0.373 4.333 3.960 -0.000 0.000 0.297 424 G HA3 0.373 4.333 3.960 -0.000 0.000 0.297 424 G C -1.336 173.550 174.900 -0.024 0.000 1.344 424 G CA -0.535 44.560 45.100 -0.009 0.000 0.851 424 G HN 0.504 nan 8.290 nan 0.000 0.567 425 A N 1.177 123.983 122.820 -0.023 0.000 2.440 425 A HA 0.731 5.051 4.320 -0.000 0.000 0.251 425 A C -1.744 175.814 177.584 -0.044 0.000 1.089 425 A CA -0.909 51.103 52.037 -0.041 0.000 0.779 425 A CB -0.122 18.864 19.000 -0.023 0.000 1.022 425 A HN 0.524 nan 8.150 nan 0.000 0.492 426 P HA 0.182 nan 4.420 nan 0.000 0.266 426 P C 0.954 178.277 177.300 0.039 0.000 1.195 426 P CA 1.539 64.577 63.100 -0.103 0.000 0.768 426 P CB 0.772 32.197 31.700 -0.458 0.000 0.838 427 G N 1.287 110.169 108.800 0.137 0.000 2.217 427 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.246 427 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.246 427 G C 0.323 175.269 174.900 0.076 0.000 0.990 427 G CA 0.362 45.533 45.100 0.119 0.000 0.627 427 G HN 0.904 nan 8.290 nan 0.000 0.522 428 S N 0.366 116.102 115.700 0.060 0.000 2.672 428 S HA 0.786 5.256 4.470 -0.000 0.000 0.276 428 S C 0.252 174.885 174.600 0.055 0.000 1.207 428 S CA -0.706 57.522 58.200 0.046 0.000 1.002 428 S CB 1.552 64.769 63.200 0.029 0.000 0.998 428 S HN 0.418 nan 8.310 nan 0.000 0.542 429 R N 0.895 121.421 120.500 0.045 0.000 2.254 429 R HA 0.390 4.730 4.340 -0.000 0.000 0.318 429 R C 0.028 176.354 176.300 0.044 0.000 1.031 429 R CA -0.500 55.629 56.100 0.049 0.000 0.905 429 R CB -0.310 30.014 30.300 0.041 0.000 1.050 429 R HN 0.716 nan 8.270 nan 0.000 0.456 430 c N 0.000 118.631 118.600 0.051 0.000 2.653 430 c HA 0.000 4.570 4.570 -0.000 0.000 0.325 430 c CA 0.000 56.354 56.329 0.041 0.000 1.963 430 c CB 0.000 42.537 42.510 0.045 0.000 2.134 430 c HN 0.000 nan 8.230 nan 0.000 0.568