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 3hyv_1_E DATA FIRST_RESID 2 DATA SEQUENCE AKHVVVIGGG VGGIATAYNL RNLMPDLKIT LISDRPYFGF TPAFPHLAMG DATA SEQUENCE WRKFEDISVP LAPLLPKFNI EFINEKAESI DPDANTVTTQ SGKKIEYDYL DATA SEQUENCE VIATGPKLVF GAEGQEENST SICTAEHALE TQKKLQELYA NPGPVVIGAI DATA SEQUENCE PGVSXFGPAY EFALMLHYEL KKRGIRYKVP MTFITSEPYL GHFGVGGIGA DATA SEQUENCE SKRLVEDLFA ERNIDWIANV AVKAIEPDKV IYEDLNGNTH EVPAKFTMFM DATA SEQUENCE PSFQGPEVVA SAGDKVANPA NKMVIVNRcF QNPTYKNIFG VGVVTAIPPI DATA SEQUENCE EKTPIPTGVP KTGMMIEQMA MAVAHNIVND IRNNPDKYAP RLSAICIADF DATA SEQUENCE GEDAGFFFAD PVIPPRERVI TKMGKWAHYF KTAFEKYFLW KVRNGNIAPS DATA SEQUENCE FEEKVLEIFL KVHPIELcKD cEGAPGSRc VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.643 177.584 0.098 0.000 1.274 2 A CA 0.000 52.075 52.037 0.063 0.000 0.836 2 A CB 0.000 19.025 19.000 0.042 0.000 0.831 3 K N 1.680 122.160 120.400 0.134 0.000 2.098 3 K HA 0.444 4.764 4.320 -0.000 0.000 0.261 3 K C -0.651 176.108 176.600 0.265 0.000 0.987 3 K CA -0.363 56.046 56.287 0.203 0.000 0.916 3 K CB 1.385 34.038 32.500 0.254 0.000 1.039 3 K HN 0.872 nan 8.250 nan 0.000 0.455 4 H N 0.597 119.770 119.070 0.172 0.000 2.658 4 H HA 0.335 4.890 4.556 -0.000 0.000 0.337 4 H C -1.444 174.023 175.328 0.232 0.000 1.009 4 H CA -0.758 55.387 56.048 0.161 0.000 1.231 4 H CB 1.665 31.500 29.762 0.121 0.000 1.508 4 H HN 0.281 nan 8.280 nan 0.000 0.517 5 V N 6.308 126.251 119.914 0.048 0.000 2.459 5 V HA 0.447 4.567 4.120 -0.000 0.000 0.295 5 V C -1.165 174.813 176.094 -0.195 0.000 1.029 5 V CA -0.387 61.896 62.300 -0.028 0.000 0.874 5 V CB 1.491 33.357 31.823 0.072 0.000 0.985 5 V HN 0.503 nan 8.190 nan 0.000 0.438 6 V N 6.703 126.495 119.914 -0.204 0.000 2.472 6 V HA 0.553 4.673 4.120 -0.000 0.000 0.290 6 V C -0.220 175.825 176.094 -0.082 0.000 1.037 6 V CA -0.408 61.807 62.300 -0.142 0.000 0.908 6 V CB 1.808 33.555 31.823 -0.126 0.000 0.985 6 V HN 0.756 nan 8.190 nan 0.000 0.454 7 V N 6.177 126.079 119.914 -0.020 0.000 2.444 7 V HA 0.501 4.621 4.120 -0.000 0.000 0.294 7 V C -0.300 175.803 176.094 0.016 0.000 1.022 7 V CA -0.424 61.876 62.300 -0.000 0.000 0.850 7 V CB 1.749 33.588 31.823 0.027 0.000 0.992 7 V HN 0.678 nan 8.190 nan 0.000 0.426 8 I N 4.331 124.903 120.570 0.003 0.000 2.307 8 I HA 0.763 4.933 4.170 -0.000 0.000 0.289 8 I C 0.663 176.797 176.117 0.028 0.000 1.021 8 I CA -0.138 61.170 61.300 0.013 0.000 1.224 8 I CB 1.350 39.347 38.000 -0.005 0.000 1.376 8 I HN 0.862 nan 8.210 nan 0.000 0.470 9 G N 3.563 112.393 108.800 0.051 0.000 3.400 9 G HA2 0.057 4.017 3.960 -0.000 0.000 0.679 9 G HA3 0.057 4.017 3.960 -0.000 0.000 0.679 9 G C -0.115 174.839 174.900 0.090 0.000 1.239 9 G CA -0.595 44.540 45.100 0.059 0.000 1.049 9 G HN 0.986 nan 8.290 nan 0.000 0.539 10 G N 0.769 109.644 108.800 0.125 0.000 3.943 10 G HA2 0.674 4.634 3.960 -0.000 0.000 0.275 10 G HA3 0.674 4.634 3.960 -0.000 0.000 0.275 10 G C 0.785 175.809 174.900 0.206 0.000 1.234 10 G CA 0.844 46.036 45.100 0.153 0.000 1.522 10 G HN 1.235 nan 8.290 nan 0.000 0.636 11 G N -0.591 108.317 108.800 0.180 0.000 2.990 11 G HA2 0.370 4.330 3.960 -0.000 0.000 0.208 11 G HA3 0.370 4.330 3.960 -0.000 0.000 0.208 11 G C 1.081 176.168 174.900 0.311 0.000 1.334 11 G CA 0.008 45.264 45.100 0.260 0.000 1.024 11 G HN 0.043 nan 8.290 nan 0.000 0.574 12 V N 1.009 121.104 119.914 0.302 0.000 2.255 12 V HA -0.112 4.008 4.120 -0.000 0.000 0.247 12 V C 3.106 179.265 176.094 0.108 0.000 1.051 12 V CA 2.756 65.212 62.300 0.261 0.000 1.018 12 V CB -1.137 30.777 31.823 0.152 0.000 0.641 12 V HN 0.788 nan 8.190 nan 0.000 0.445 13 G N -0.435 108.401 108.800 0.059 0.000 2.418 13 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.217 13 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.217 13 G C 1.608 176.503 174.900 -0.007 0.000 1.158 13 G CA 0.950 46.060 45.100 0.015 0.000 0.771 13 G HN 0.607 nan 8.290 nan 0.000 0.545 14 G N 1.016 109.821 108.800 0.008 0.000 2.404 14 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.215 14 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.215 14 G C 1.672 176.530 174.900 -0.071 0.000 1.174 14 G CA 0.801 45.898 45.100 -0.006 0.000 0.780 14 G HN 0.287 nan 8.290 nan 0.000 0.537 15 I N 1.891 122.374 120.570 -0.145 0.000 2.226 15 I HA -0.132 4.038 4.170 -0.000 0.000 0.245 15 I C 3.233 179.026 176.117 -0.540 0.000 1.100 15 I CA 1.315 62.355 61.300 -0.434 0.000 1.374 15 I CB -1.209 36.428 38.000 -0.605 0.000 1.057 15 I HN 0.265 nan 8.210 nan 0.000 0.413 16 A N 0.257 122.893 122.820 -0.305 0.000 1.930 16 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 16 A C 2.400 179.910 177.584 -0.123 0.000 1.175 16 A CA 2.163 54.074 52.037 -0.209 0.000 0.627 16 A CB -0.926 18.028 19.000 -0.077 0.000 0.815 16 A HN 0.420 nan 8.150 nan 0.000 0.443 17 T N 0.296 114.792 114.554 -0.096 0.000 2.737 17 T HA 0.046 4.395 4.350 -0.000 0.000 0.265 17 T C 2.271 176.939 174.700 -0.053 0.000 1.038 17 T CA 1.427 63.482 62.100 -0.076 0.000 1.144 17 T CB -0.464 68.366 68.868 -0.064 0.000 0.866 17 T HN 0.567 nan 8.240 nan 0.000 0.434 18 A N 0.867 123.675 122.820 -0.020 0.000 1.883 18 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 18 A C 2.118 179.787 177.584 0.141 0.000 1.186 18 A CA 1.434 53.508 52.037 0.062 0.000 0.624 18 A CB -1.033 18.035 19.000 0.114 0.000 0.822 18 A HN 0.469 nan 8.150 nan 0.000 0.444 19 Y N 0.604 120.826 120.300 -0.129 0.000 2.145 19 Y HA -0.158 4.392 4.550 -0.000 0.000 0.286 19 Y C 2.564 178.356 175.900 -0.181 0.000 1.145 19 Y CA 0.715 58.700 58.100 -0.192 0.000 1.148 19 Y CB -0.958 37.338 38.460 -0.274 0.000 0.981 19 Y HN 0.351 nan 8.280 nan 0.000 0.507 20 N N 0.296 118.997 118.700 0.002 0.000 2.061 20 N HA -0.197 4.543 4.740 -0.000 0.000 0.193 20 N C 1.982 177.413 175.510 -0.132 0.000 1.030 20 N CA 1.524 54.519 53.050 -0.091 0.000 0.856 20 N CB -0.546 37.873 38.487 -0.113 0.000 1.023 20 N HN 0.312 nan 8.380 nan 0.000 0.424 21 L N 0.738 121.896 121.223 -0.109 0.000 2.017 21 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 21 L C 2.640 179.459 176.870 -0.085 0.000 1.073 21 L CA 1.006 55.776 54.840 -0.117 0.000 0.745 21 L CB -0.330 41.673 42.059 -0.093 0.000 0.894 21 L HN 0.095 nan 8.230 nan 0.000 0.432 22 R N 1.008 121.476 120.500 -0.054 0.000 2.083 22 R HA -0.186 4.153 4.340 -0.000 0.000 0.237 22 R C 1.776 178.027 176.300 -0.082 0.000 1.137 22 R CA 2.201 58.268 56.100 -0.054 0.000 0.951 22 R CB -0.792 29.472 30.300 -0.060 0.000 0.851 22 R HN 0.423 nan 8.270 nan 0.000 0.434 23 N N -0.648 117.986 118.700 -0.111 0.000 2.331 23 N HA -0.074 4.666 4.740 -0.000 0.000 0.180 23 N C 0.891 176.344 175.510 -0.096 0.000 1.019 23 N CA 0.684 53.668 53.050 -0.110 0.000 0.881 23 N CB -0.002 38.409 38.487 -0.126 0.000 0.972 23 N HN 0.076 nan 8.380 nan 0.000 0.435 24 L N -0.270 120.882 121.223 -0.119 0.000 2.270 24 L HA 0.222 4.562 4.340 -0.000 0.000 0.210 24 L C 0.412 177.232 176.870 -0.083 0.000 1.104 24 L CA 1.175 55.939 54.840 -0.128 0.000 0.804 24 L CB -0.161 41.766 42.059 -0.220 0.000 0.937 24 L HN 0.213 nan 8.230 nan 0.000 0.450 25 M N -1.084 118.474 119.600 -0.069 0.000 2.152 25 M HA 0.228 4.708 4.480 -0.000 0.000 0.215 25 M C -1.983 174.302 176.300 -0.026 0.000 0.987 25 M CA -1.084 54.192 55.300 -0.041 0.000 0.933 25 M CB 1.466 34.040 32.600 -0.044 0.000 2.430 25 M HN -0.203 nan 8.290 nan 0.000 0.373 26 P HA -0.166 nan 4.420 nan 0.000 0.220 26 P C 0.316 177.616 177.300 0.001 0.000 1.144 26 P CA 1.419 64.511 63.100 -0.013 0.000 0.800 26 P CB -0.004 31.688 31.700 -0.013 0.000 0.772 27 D N -2.325 118.079 120.400 0.006 0.000 2.363 27 D HA 0.017 4.657 4.640 -0.000 0.000 0.214 27 D C 0.484 176.802 176.300 0.030 0.000 1.093 27 D CA -0.146 53.864 54.000 0.017 0.000 0.837 27 D CB -0.458 40.352 40.800 0.016 0.000 0.948 27 D HN 0.180 nan 8.370 nan 0.000 0.507 28 L N 0.977 122.219 121.223 0.032 0.000 2.380 28 L HA 0.180 4.520 4.340 -0.000 0.000 0.273 28 L C 0.477 177.395 176.870 0.079 0.000 1.138 28 L CA -0.395 54.479 54.840 0.057 0.000 0.832 28 L CB 1.179 43.260 42.059 0.036 0.000 1.124 28 L HN -0.146 nan 8.230 nan 0.000 0.454 29 K N 4.895 125.368 120.400 0.122 0.000 2.297 29 K HA 0.466 4.786 4.320 -0.000 0.000 0.286 29 K C -1.084 175.680 176.600 0.274 0.000 1.053 29 K CA -0.312 56.068 56.287 0.155 0.000 0.940 29 K CB 0.650 33.206 32.500 0.094 0.000 1.019 29 K HN 0.482 nan 8.250 nan 0.000 0.475 30 I N 3.262 123.966 120.570 0.223 0.000 2.478 30 I HA 0.174 4.344 4.170 -0.000 0.000 0.287 30 I C -0.779 175.473 176.117 0.225 0.000 1.042 30 I CA -0.622 60.803 61.300 0.207 0.000 1.067 30 I CB 2.403 40.481 38.000 0.129 0.000 1.233 30 I HN 0.521 nan 8.210 nan 0.000 0.431 31 T N 6.918 121.618 114.554 0.244 0.000 2.792 31 T HA 0.530 4.880 4.350 -0.000 0.000 0.280 31 T C -0.647 174.139 174.700 0.145 0.000 0.990 31 T CA -0.400 61.830 62.100 0.216 0.000 0.960 31 T CB 1.640 70.686 68.868 0.297 0.000 0.939 31 T HN 0.324 nan 8.240 nan 0.000 0.439 32 L N 4.814 126.141 121.223 0.173 0.000 2.305 32 L HA 0.654 4.994 4.340 -0.000 0.000 0.284 32 L C -1.142 175.815 176.870 0.145 0.000 1.013 32 L CA -0.763 54.185 54.840 0.181 0.000 0.819 32 L CB 0.548 42.762 42.059 0.258 0.000 1.227 32 L HN 0.632 nan 8.230 nan 0.000 0.417 33 I N 4.312 124.926 120.570 0.072 0.000 2.339 33 I HA 0.447 4.617 4.170 -0.000 0.000 0.290 33 I C -0.154 175.982 176.117 0.033 0.000 0.994 33 I CA -0.170 61.121 61.300 -0.014 0.000 1.191 33 I CB 1.710 39.699 38.000 -0.019 0.000 1.343 33 I HN 0.534 nan 8.210 nan 0.000 0.458 34 S N 3.409 119.111 115.700 0.003 0.000 2.536 34 S HA 0.234 4.704 4.470 -0.000 0.000 0.271 34 S C 0.303 174.916 174.600 0.022 0.000 1.134 34 S CA -0.737 57.515 58.200 0.086 0.000 0.897 34 S CB 1.392 64.758 63.200 0.277 0.000 1.094 34 S HN 0.754 nan 8.310 nan 0.000 0.473 35 D N 3.171 123.579 120.400 0.013 0.000 2.194 35 D HA -0.026 4.614 4.640 -0.000 0.000 0.204 35 D C 0.370 176.672 176.300 0.004 0.000 0.964 35 D CA 0.639 54.636 54.000 -0.005 0.000 0.846 35 D CB -0.058 40.735 40.800 -0.011 0.000 0.962 35 D HN 0.395 nan 8.370 nan 0.000 0.490 36 R N 1.117 121.602 120.500 -0.025 0.000 2.357 36 R HA 0.247 4.587 4.340 -0.000 0.000 0.296 36 R C -1.642 174.673 176.300 0.024 0.000 1.052 36 R CA -1.366 54.659 56.100 -0.125 0.000 0.988 36 R CB 1.039 31.067 30.300 -0.454 0.000 1.025 36 R HN 0.091 nan 8.270 nan 0.000 0.469 37 P HA -0.049 nan 4.420 nan 0.000 0.245 37 P C -1.076 176.367 177.300 0.238 0.000 1.212 37 P CA 0.729 63.998 63.100 0.282 0.000 0.774 37 P CB 0.104 31.976 31.700 0.286 0.000 0.999 38 Y N -2.388 118.022 120.300 0.183 0.000 2.545 38 Y HA 0.658 5.208 4.550 -0.000 0.000 0.348 38 Y C -0.948 175.062 175.900 0.184 0.000 1.002 38 Y CA -2.739 55.454 58.100 0.155 0.000 1.039 38 Y CB 0.455 39.028 38.460 0.188 0.000 1.271 38 Y HN -0.266 nan 8.280 nan 0.000 0.467 39 F N 2.334 122.423 119.950 0.232 0.000 2.410 39 F HA 0.761 5.288 4.527 -0.000 0.000 0.348 39 F C 0.154 176.199 175.800 0.408 0.000 1.106 39 F CA -0.603 57.526 58.000 0.214 0.000 1.163 39 F CB 1.011 40.082 39.000 0.118 0.000 1.129 39 F HN 0.845 nan 8.300 nan 0.000 0.516 40 G N 5.989 114.501 108.800 -0.481 0.000 2.502 40 G HA2 0.310 4.270 3.960 -0.000 0.000 0.311 40 G HA3 0.310 4.270 3.960 -0.000 0.000 0.311 40 G C -1.546 172.941 174.900 -0.689 0.000 1.270 40 G CA -0.597 44.400 45.100 -0.171 0.000 0.948 40 G HN 0.679 nan 8.290 nan 0.000 0.487 41 F N 4.220 123.838 119.950 -0.553 0.000 2.613 41 F HA 0.181 4.708 4.527 -0.000 0.000 0.341 41 F C 1.861 177.308 175.800 -0.588 0.000 1.288 41 F CA -0.281 57.478 58.000 -0.402 0.000 1.103 41 F CB -0.062 38.924 39.000 -0.024 0.000 1.423 41 F HN 0.468 nan 8.300 nan 0.000 0.651 42 T N 4.878 118.719 114.554 -1.189 0.000 2.685 42 T HA -0.183 4.167 4.350 -0.000 0.000 0.268 42 T C -0.609 173.417 174.700 -1.124 0.000 1.034 42 T CA 1.713 62.859 62.100 -1.589 0.000 1.149 42 T CB -1.086 67.252 68.868 -0.884 0.000 0.860 42 T HN 0.384 nan 8.240 nan 0.000 0.449 43 P HA 0.083 nan 4.420 nan 0.000 0.223 43 P C 0.780 177.956 177.300 -0.207 0.000 1.144 43 P CA 0.906 63.639 63.100 -0.611 0.000 0.783 43 P CB -0.168 31.066 31.700 -0.777 0.000 0.771 44 A N -2.487 120.240 122.820 -0.156 0.000 2.423 44 A HA 0.169 4.489 4.320 -0.000 0.000 0.246 44 A C 1.166 179.019 177.584 0.448 0.000 1.278 44 A CA -0.224 51.928 52.037 0.191 0.000 0.903 44 A CB -0.992 18.149 19.000 0.234 0.000 0.997 44 A HN -0.048 nan 8.150 nan 0.000 0.510 45 F N 0.874 120.925 119.950 0.168 0.000 2.146 45 F HA 0.027 4.554 4.527 -0.000 0.000 0.298 45 F C -0.485 175.436 175.800 0.203 0.000 1.096 45 F CA 0.666 58.767 58.000 0.167 0.000 1.275 45 F CB -1.968 37.097 39.000 0.108 0.000 1.008 45 F HN 0.193 nan 8.300 nan 0.000 0.480 46 P HA -0.139 nan 4.420 nan 0.000 0.215 46 P C 1.182 178.579 177.300 0.162 0.000 1.153 46 P CA 1.811 65.088 63.100 0.295 0.000 0.853 46 P CB -0.188 31.643 31.700 0.218 0.000 0.788 47 H N -1.292 117.885 119.070 0.179 0.000 2.352 47 H HA -0.102 4.454 4.556 -0.000 0.000 0.299 47 H C 1.846 177.263 175.328 0.149 0.000 1.097 47 H CA 1.051 57.195 56.048 0.161 0.000 1.311 47 H CB -1.237 28.711 29.762 0.310 0.000 1.377 47 H HN 0.016 nan 8.280 nan 0.000 0.504 48 L N 0.640 122.072 121.223 0.350 0.000 2.017 48 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 48 L C 2.377 179.349 176.870 0.170 0.000 1.073 48 L CA 1.818 56.815 54.840 0.262 0.000 0.745 48 L CB -0.943 41.280 42.059 0.274 0.000 0.894 48 L HN 0.270 nan 8.230 nan 0.000 0.432 49 A N -1.038 121.885 122.820 0.171 0.000 1.978 49 A HA -0.194 4.126 4.320 -0.000 0.000 0.220 49 A C 2.120 179.762 177.584 0.097 0.000 1.170 49 A CA 1.944 54.083 52.037 0.169 0.000 0.636 49 A CB -0.525 18.636 19.000 0.269 0.000 0.810 49 A HN 0.499 nan 8.150 nan 0.000 0.448 50 M N -1.713 117.830 119.600 -0.095 0.000 2.558 50 M HA 0.105 4.585 4.480 -0.000 0.000 0.255 50 M C 1.519 177.667 176.300 -0.253 0.000 1.113 50 M CA 1.036 56.083 55.300 -0.422 0.000 1.097 50 M CB -0.933 30.916 32.600 -1.252 0.000 1.426 50 M HN 0.807 nan 8.290 nan 0.000 0.488 51 G N -0.879 107.919 108.800 -0.003 0.000 2.132 51 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.234 51 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.234 51 G C 0.138 175.277 174.900 0.398 0.000 0.989 51 G CA 0.056 45.268 45.100 0.187 0.000 0.676 51 G HN 0.504 nan 8.290 nan 0.000 0.522 52 W N 0.300 121.712 121.300 0.186 0.000 3.290 52 W HA 0.483 5.143 4.660 -0.000 0.000 0.287 52 W C 1.041 177.677 176.519 0.195 0.000 1.288 52 W CA -0.454 57.005 57.345 0.191 0.000 1.725 52 W CB -0.019 29.574 29.460 0.222 0.000 1.103 52 W HN 0.119 nan 8.180 nan 0.000 0.670 53 R N 0.198 120.927 120.500 0.382 0.000 2.771 53 R HA 0.396 4.736 4.340 -0.000 0.000 0.274 53 R C -0.399 176.037 176.300 0.226 0.000 0.987 53 R CA -1.007 55.262 56.100 0.282 0.000 0.908 53 R CB 1.892 32.363 30.300 0.285 0.000 1.213 53 R HN -0.127 nan 8.270 nan 0.000 0.468 54 K N 1.073 121.582 120.400 0.182 0.000 2.156 54 K HA 0.220 4.540 4.320 -0.000 0.000 0.271 54 K C 0.914 177.615 176.600 0.170 0.000 0.995 54 K CA -0.350 56.038 56.287 0.169 0.000 0.890 54 K CB 1.116 33.695 32.500 0.131 0.000 1.073 54 K HN 0.422 nan 8.250 nan 0.000 0.454 55 F N 2.873 122.850 119.950 0.045 0.000 2.147 55 F HA -0.272 4.255 4.527 -0.000 0.000 0.301 55 F C 1.304 177.104 175.800 -0.001 0.000 1.084 55 F CA 1.897 59.898 58.000 0.002 0.000 1.268 55 F CB 0.267 39.227 39.000 -0.067 0.000 1.009 55 F HN 0.652 nan 8.300 nan 0.000 0.486 56 E N -0.119 120.051 120.200 -0.051 0.000 2.268 56 E HA -0.165 4.185 4.350 -0.000 0.000 0.195 56 E C 1.468 178.001 176.600 -0.113 0.000 0.995 56 E CA 1.220 57.545 56.400 -0.124 0.000 0.836 56 E CB -0.371 29.346 29.700 0.029 0.000 0.763 56 E HN 0.466 nan 8.360 nan 0.000 0.491 57 D N 0.211 120.580 120.400 -0.051 0.000 2.347 57 D HA 0.011 4.651 4.640 -0.000 0.000 0.213 57 D C 1.348 177.641 176.300 -0.012 0.000 0.985 57 D CA 0.586 54.581 54.000 -0.008 0.000 0.879 57 D CB 0.279 41.106 40.800 0.044 0.000 0.919 57 D HN 0.420 nan 8.370 nan 0.000 0.526 58 I N -2.289 118.243 120.570 -0.063 0.000 3.947 58 I HA 0.253 4.423 4.170 -0.000 0.000 0.327 58 I C -0.279 175.818 176.117 -0.033 0.000 1.519 58 I CA -0.456 60.859 61.300 0.026 0.000 1.122 58 I CB 0.450 38.548 38.000 0.164 0.000 1.146 58 I HN -0.257 nan 8.210 nan 0.000 0.442 59 S N 0.115 115.709 115.700 -0.178 0.000 2.595 59 S HA 0.831 5.301 4.470 -0.000 0.000 0.281 59 S C -0.728 173.879 174.600 0.012 0.000 1.117 59 S CA -0.681 57.418 58.200 -0.169 0.000 0.873 59 S CB 2.620 65.385 63.200 -0.726 0.000 1.108 59 S HN 0.009 nan 8.310 nan 0.000 0.477 60 V N 1.989 122.016 119.914 0.187 0.000 2.488 60 V HA 0.450 4.570 4.120 -0.000 0.000 0.293 60 V C -2.809 173.394 176.094 0.182 0.000 1.027 60 V CA -1.820 60.583 62.300 0.173 0.000 0.862 60 V CB 1.515 33.460 31.823 0.203 0.000 1.008 60 V HN 0.773 nan 8.190 nan 0.000 0.428 61 P HA 0.240 nan 4.420 nan 0.000 0.267 61 P C 0.602 177.897 177.300 -0.008 0.000 1.205 61 P CA 0.161 63.324 63.100 0.105 0.000 0.765 61 P CB 0.806 32.560 31.700 0.090 0.000 0.828 62 L N 2.496 123.635 121.223 -0.140 0.000 2.354 62 L HA 0.036 4.376 4.340 -0.000 0.000 0.212 62 L C 2.302 178.903 176.870 -0.449 0.000 1.091 62 L CA 0.898 55.485 54.840 -0.421 0.000 0.828 62 L CB -0.667 40.867 42.059 -0.876 0.000 0.973 62 L HN 0.356 nan 8.230 nan 0.000 0.461 63 A N 1.425 124.109 122.820 -0.228 0.000 1.877 63 A HA -0.101 4.219 4.320 -0.000 0.000 0.216 63 A C -0.069 177.521 177.584 0.010 0.000 1.186 63 A CA 1.690 53.761 52.037 0.057 0.000 0.620 63 A CB -1.785 17.350 19.000 0.225 0.000 0.822 63 A HN 0.310 nan 8.150 nan 0.000 0.443 64 P HA 0.036 nan 4.420 nan 0.000 0.241 64 P C 1.164 178.396 177.300 -0.113 0.000 1.191 64 P CA 0.445 63.517 63.100 -0.047 0.000 0.771 64 P CB 0.161 31.844 31.700 -0.029 0.000 0.929 65 L N -0.641 120.500 121.223 -0.137 0.000 2.189 65 L HA 0.139 4.479 4.340 -0.000 0.000 0.199 65 L C 2.383 179.063 176.870 -0.318 0.000 1.074 65 L CA 1.212 55.929 54.840 -0.206 0.000 0.783 65 L CB -1.189 40.812 42.059 -0.096 0.000 0.955 65 L HN -0.253 nan 8.230 nan 0.000 0.460 66 L N 0.224 121.351 121.223 -0.160 0.000 2.042 66 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 66 L C -0.283 176.509 176.870 -0.130 0.000 1.076 66 L CA 1.261 56.064 54.840 -0.060 0.000 0.749 66 L CB -1.975 40.115 42.059 0.051 0.000 0.893 66 L HN 0.243 nan 8.230 nan 0.000 0.432 67 P HA -0.217 nan 4.420 nan 0.000 0.217 67 P C 1.282 178.438 177.300 -0.240 0.000 1.148 67 P CA 1.428 64.455 63.100 -0.121 0.000 0.834 67 P CB -0.050 31.598 31.700 -0.086 0.000 0.783 68 K N -1.604 118.512 120.400 -0.473 0.000 2.211 68 K HA -0.099 4.221 4.320 -0.000 0.000 0.204 68 K C 0.625 176.861 176.600 -0.607 0.000 1.047 68 K CA 1.162 57.063 56.287 -0.643 0.000 0.935 68 K CB -0.376 31.565 32.500 -0.932 0.000 0.728 68 K HN 0.257 nan 8.250 nan 0.000 0.452 69 F N 0.761 120.626 119.950 -0.141 0.000 2.772 69 F HA 0.270 4.797 4.527 -0.000 0.000 0.302 69 F C -0.132 175.604 175.800 -0.108 0.000 1.136 69 F CA -1.052 56.842 58.000 -0.176 0.000 1.322 69 F CB -0.509 38.296 39.000 -0.325 0.000 0.967 69 F HN -0.072 nan 8.300 nan 0.000 0.513 70 N N 1.447 120.151 118.700 0.006 0.000 2.727 70 N HA -0.228 4.512 4.740 -0.000 0.000 0.249 70 N C -0.604 174.942 175.510 0.059 0.000 1.048 70 N CA 0.668 53.730 53.050 0.020 0.000 0.714 70 N CB -1.451 37.048 38.487 0.020 0.000 0.959 70 N HN 0.406 nan 8.380 nan 0.000 0.544 71 I N 0.447 121.064 120.570 0.079 0.000 2.389 71 I HA 0.153 4.323 4.170 -0.000 0.000 0.288 71 I C 0.783 176.981 176.117 0.136 0.000 0.999 71 I CA -0.608 60.769 61.300 0.128 0.000 1.129 71 I CB 1.863 39.975 38.000 0.187 0.000 1.288 71 I HN -0.015 nan 8.210 nan 0.000 0.444 72 E N 6.294 126.581 120.200 0.144 0.000 2.257 72 E HA 0.160 4.510 4.350 -0.000 0.000 0.278 72 E C -1.438 175.297 176.600 0.225 0.000 1.049 72 E CA -0.241 56.248 56.400 0.148 0.000 0.876 72 E CB 0.773 30.540 29.700 0.112 0.000 1.035 72 E HN 0.449 nan 8.360 nan 0.000 0.419 73 F N 6.026 126.008 119.950 0.053 0.000 2.411 73 F HA 0.430 4.957 4.527 -0.000 0.000 0.352 73 F C -0.990 174.838 175.800 0.047 0.000 1.123 73 F CA -1.171 56.862 58.000 0.055 0.000 1.044 73 F CB 0.793 39.826 39.000 0.054 0.000 1.135 73 F HN 0.417 nan 8.300 nan 0.000 0.461 74 I N 6.542 126.740 120.570 -0.620 0.000 2.382 74 I HA 0.321 4.491 4.170 -0.000 0.000 0.286 74 I C -0.761 174.814 176.117 -0.903 0.000 1.002 74 I CA -0.364 60.572 61.300 -0.606 0.000 1.135 74 I CB 1.124 38.982 38.000 -0.237 0.000 1.288 74 I HN 0.596 nan 8.210 nan 0.000 0.448 75 N N 6.662 124.889 118.700 -0.787 0.000 3.245 75 N HA 0.228 4.967 4.740 -0.000 0.000 0.296 75 N C -1.019 174.371 175.510 -0.200 0.000 1.254 75 N CA 0.210 52.972 53.050 -0.480 0.000 1.190 75 N CB -0.039 38.347 38.487 -0.167 0.000 1.460 75 N HN 0.647 nan 8.380 nan 0.000 0.538 76 E N -0.063 120.027 120.200 -0.183 0.000 2.408 76 E HA 0.204 4.554 4.350 -0.000 0.000 0.275 76 E C -1.047 175.515 176.600 -0.063 0.000 0.935 76 E CA -0.942 55.402 56.400 -0.093 0.000 0.775 76 E CB 2.084 31.734 29.700 -0.083 0.000 1.277 76 E HN 0.149 nan 8.360 nan 0.000 0.455 77 K N 1.174 121.552 120.400 -0.036 0.000 2.276 77 K HA 0.411 4.731 4.320 -0.000 0.000 0.283 77 K C -0.835 175.754 176.600 -0.018 0.000 1.044 77 K CA -0.210 56.065 56.287 -0.021 0.000 0.944 77 K CB 0.796 33.288 32.500 -0.012 0.000 1.012 77 K HN 0.525 nan 8.250 nan 0.000 0.472 78 A N 4.157 126.969 122.820 -0.013 0.000 2.362 78 A HA 0.108 4.427 4.320 -0.000 0.000 0.276 78 A C 0.690 178.272 177.584 -0.003 0.000 1.153 78 A CA -0.276 51.757 52.037 -0.007 0.000 0.813 78 A CB 0.174 19.171 19.000 -0.005 0.000 1.081 78 A HN 1.015 nan 8.150 nan 0.000 0.507 79 E N 2.019 122.218 120.200 -0.001 0.000 2.330 79 E HA 0.132 4.482 4.350 -0.000 0.000 0.200 79 E C 0.456 177.057 176.600 0.002 0.000 0.922 79 E CA 0.689 57.089 56.400 0.000 0.000 0.935 79 E CB 0.178 29.878 29.700 -0.000 0.000 0.917 79 E HN 0.624 nan 8.360 nan 0.000 0.491 80 S N 0.220 115.922 115.700 0.004 0.000 2.588 80 S HA 0.657 5.127 4.470 -0.000 0.000 0.275 80 S C -0.792 173.814 174.600 0.010 0.000 1.130 80 S CA -1.011 57.191 58.200 0.004 0.000 0.855 80 S CB 1.579 64.780 63.200 0.002 0.000 1.116 80 S HN 0.206 nan 8.310 nan 0.000 0.472 81 I N 1.553 122.126 120.570 0.004 0.000 2.498 81 I HA 0.426 4.596 4.170 -0.000 0.000 0.290 81 I C -1.269 174.841 176.117 -0.011 0.000 1.032 81 I CA -0.473 60.835 61.300 0.014 0.000 1.073 81 I CB 2.076 40.077 38.000 0.002 0.000 1.251 81 I HN 0.654 nan 8.210 nan 0.000 0.426 82 D N 8.372 128.768 120.400 -0.006 0.000 2.472 82 D HA 0.286 4.926 4.640 -0.000 0.000 0.234 82 D C -1.763 174.473 176.300 -0.106 0.000 1.088 82 D CA -2.193 51.774 54.000 -0.055 0.000 0.882 82 D CB 1.854 42.627 40.800 -0.045 0.000 1.037 82 D HN 0.185 nan 8.370 nan 0.000 0.520 83 P HA -0.052 nan 4.420 nan 0.000 0.219 83 P C 0.604 177.696 177.300 -0.346 0.000 1.150 83 P CA 0.657 63.470 63.100 -0.479 0.000 0.814 83 P CB 0.712 31.681 31.700 -1.219 0.000 0.787 84 D N 0.072 120.372 120.400 -0.166 0.000 2.269 84 D HA -0.013 4.627 4.640 -0.000 0.000 0.208 84 D C 1.738 178.016 176.300 -0.037 0.000 0.963 84 D CA 1.108 55.116 54.000 0.013 0.000 0.864 84 D CB -0.148 40.685 40.800 0.055 0.000 0.936 84 D HN 0.201 nan 8.370 nan 0.000 0.505 85 A N 0.264 123.028 122.820 -0.094 0.000 2.343 85 A HA 0.069 4.389 4.320 -0.000 0.000 0.223 85 A C 0.254 177.703 177.584 -0.224 0.000 1.214 85 A CA -0.178 51.789 52.037 -0.116 0.000 0.900 85 A CB 0.112 19.061 19.000 -0.085 0.000 0.942 85 A HN -0.020 nan 8.150 nan 0.000 0.507 86 N N 0.567 119.065 118.700 -0.336 0.000 2.727 86 N HA -0.112 4.628 4.740 -0.000 0.000 0.251 86 N C -0.582 174.428 175.510 -0.834 0.000 1.040 86 N CA 1.586 54.123 53.050 -0.854 0.000 0.712 86 N CB -1.843 36.131 38.487 -0.855 0.000 0.912 86 N HN 0.454 nan 8.380 nan 0.000 0.545 87 T N -0.903 113.476 114.554 -0.292 0.000 2.907 87 T HA 0.731 5.081 4.350 -0.000 0.000 0.292 87 T C -0.045 174.737 174.700 0.137 0.000 1.043 87 T CA -0.568 61.498 62.100 -0.057 0.000 1.003 87 T CB 2.787 71.621 68.868 -0.056 0.000 1.084 87 T HN -0.088 nan 8.240 nan 0.000 0.483 88 V N 2.029 122.026 119.914 0.137 0.000 2.638 88 V HA 0.567 4.686 4.120 -0.000 0.000 0.306 88 V C -0.276 175.851 176.094 0.055 0.000 1.052 88 V CA -0.766 61.597 62.300 0.105 0.000 0.885 88 V CB 2.139 34.029 31.823 0.111 0.000 0.999 88 V HN 1.012 nan 8.190 nan 0.000 0.424 89 T N 3.120 117.693 114.554 0.032 0.000 2.779 89 T HA 0.542 4.892 4.350 -0.000 0.000 0.280 89 T C 0.281 174.986 174.700 0.009 0.000 0.987 89 T CA -0.421 61.689 62.100 0.017 0.000 0.966 89 T CB 1.472 70.346 68.868 0.010 0.000 0.933 89 T HN 0.928 nan 8.240 nan 0.000 0.442 90 T N 0.773 115.329 114.554 0.003 0.000 2.862 90 T HA 0.288 4.638 4.350 -0.000 0.000 0.276 90 T C 1.313 176.009 174.700 -0.007 0.000 0.974 90 T CA -0.725 61.371 62.100 -0.006 0.000 0.966 90 T CB 1.043 69.902 68.868 -0.016 0.000 1.072 90 T HN 0.526 nan 8.240 nan 0.000 0.538 91 Q N -0.011 119.782 119.800 -0.011 0.000 2.170 91 Q HA -0.129 4.211 4.340 -0.000 0.000 0.203 91 Q C 2.349 178.344 176.000 -0.008 0.000 0.976 91 Q CA 1.768 57.566 55.803 -0.008 0.000 0.858 91 Q CB -0.258 28.475 28.738 -0.010 0.000 0.907 91 Q HN 0.904 nan 8.270 nan 0.000 0.433 92 S N -2.053 113.640 115.700 -0.011 0.000 2.362 92 S HA 0.077 4.547 4.470 -0.000 0.000 0.221 92 S C 1.392 175.988 174.600 -0.006 0.000 1.032 92 S CA 0.901 59.096 58.200 -0.009 0.000 0.973 92 S CB 0.471 63.663 63.200 -0.012 0.000 0.849 92 S HN 0.500 nan 8.310 nan 0.000 0.465 93 G N 0.526 109.323 108.800 -0.006 0.000 2.834 93 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.217 93 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.217 93 G C -0.406 174.494 174.900 -0.001 0.000 0.974 93 G CA -0.689 44.410 45.100 -0.003 0.000 0.826 93 G HN 0.327 nan 8.290 nan 0.000 0.584 94 K N 1.553 121.952 120.400 -0.001 0.000 2.416 94 K HA 0.245 4.565 4.320 -0.000 0.000 0.283 94 K C 0.027 176.635 176.600 0.012 0.000 1.037 94 K CA 0.216 56.505 56.287 0.004 0.000 0.995 94 K CB 1.030 33.530 32.500 0.001 0.000 0.938 94 K HN 0.256 nan 8.250 nan 0.000 0.475 95 K N 3.627 124.036 120.400 0.015 0.000 2.263 95 K HA 0.330 4.650 4.320 -0.000 0.000 0.272 95 K C -0.213 176.411 176.600 0.039 0.000 1.033 95 K CA -0.669 55.631 56.287 0.021 0.000 0.884 95 K CB 0.686 33.192 32.500 0.009 0.000 1.107 95 K HN 0.356 nan 8.250 nan 0.000 0.460 96 I N 2.070 122.678 120.570 0.064 0.000 2.362 96 I HA 0.150 4.320 4.170 -0.000 0.000 0.289 96 I C 0.317 176.505 176.117 0.119 0.000 0.994 96 I CA -0.480 60.886 61.300 0.110 0.000 1.158 96 I CB 1.454 39.539 38.000 0.141 0.000 1.315 96 I HN 0.482 nan 8.210 nan 0.000 0.451 97 E N 5.891 126.154 120.200 0.105 0.000 2.338 97 E HA 0.309 4.659 4.350 -0.000 0.000 0.272 97 E C -1.458 175.216 176.600 0.123 0.000 1.029 97 E CA -0.383 56.034 56.400 0.029 0.000 0.872 97 E CB 0.837 30.547 29.700 0.016 0.000 1.015 97 E HN 0.545 nan 8.360 nan 0.000 0.417 98 Y N 0.974 121.278 120.300 0.007 0.000 2.545 98 Y HA 0.406 4.956 4.550 -0.000 0.000 0.348 98 Y C 0.028 175.895 175.900 -0.054 0.000 1.002 98 Y CA -0.998 57.063 58.100 -0.064 0.000 1.039 98 Y CB 1.254 39.645 38.460 -0.114 0.000 1.271 98 Y HN 0.340 nan 8.280 nan 0.000 0.467 99 D N 0.787 121.278 120.400 0.153 0.000 2.216 99 D HA 0.022 4.662 4.640 -0.000 0.000 0.208 99 D C -0.683 175.472 176.300 -0.243 0.000 0.960 99 D CA 1.504 55.460 54.000 -0.073 0.000 0.861 99 D CB 0.229 41.007 40.800 -0.038 0.000 0.985 99 D HN 0.519 nan 8.370 nan 0.000 0.493 100 Y N -0.433 120.061 120.300 0.324 0.000 2.524 100 Y HA 0.466 5.016 4.550 -0.000 0.000 0.347 100 Y C -0.647 175.209 175.900 -0.075 0.000 1.005 100 Y CA -1.177 57.060 58.100 0.229 0.000 1.025 100 Y CB 2.059 40.618 38.460 0.166 0.000 1.275 100 Y HN -0.279 nan 8.280 nan 0.000 0.460 101 L N 2.606 123.754 121.223 -0.125 0.000 2.365 101 L HA 0.864 5.204 4.340 -0.000 0.000 0.273 101 L C -1.609 175.238 176.870 -0.039 0.000 1.000 101 L CA -0.732 53.860 54.840 -0.413 0.000 0.819 101 L CB 1.909 43.333 42.059 -1.058 0.000 1.284 101 L HN 0.454 nan 8.230 nan 0.000 0.418 102 V N 6.256 126.145 119.914 -0.042 0.000 2.378 102 V HA 0.464 4.584 4.120 -0.000 0.000 0.288 102 V C -0.044 176.056 176.094 0.009 0.000 1.016 102 V CA -0.426 61.899 62.300 0.042 0.000 0.840 102 V CB 1.373 33.211 31.823 0.024 0.000 0.994 102 V HN 0.583 nan 8.190 nan 0.000 0.431 103 I N 4.101 124.693 120.570 0.037 0.000 2.315 103 I HA 0.687 4.857 4.170 -0.000 0.000 0.291 103 I C 0.518 176.660 176.117 0.042 0.000 1.006 103 I CA -0.212 61.101 61.300 0.022 0.000 1.265 103 I CB 1.501 39.511 38.000 0.016 0.000 1.387 103 I HN 0.691 nan 8.210 nan 0.000 0.475 104 A N 3.428 126.264 122.820 0.027 0.000 3.415 104 A HA 0.279 4.599 4.320 -0.000 0.000 0.244 104 A C 0.623 178.216 177.584 0.014 0.000 0.988 104 A CA -0.383 51.670 52.037 0.028 0.000 0.991 104 A CB -0.271 18.747 19.000 0.030 0.000 1.240 104 A HN 0.738 nan 8.150 nan 0.000 0.541 105 T N -2.473 112.082 114.554 0.002 0.000 3.144 105 T HA 0.462 4.812 4.350 -0.000 0.000 0.249 105 T C 1.288 175.964 174.700 -0.039 0.000 1.089 105 T CA 0.964 63.058 62.100 -0.010 0.000 0.989 105 T CB -0.227 68.635 68.868 -0.010 0.000 0.992 105 T HN 2.132 nan 8.240 nan 0.000 0.540 106 G N 2.509 111.277 108.800 -0.053 0.000 2.601 106 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.252 106 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.252 106 G C -2.823 171.958 174.900 -0.197 0.000 1.294 106 G CA -0.528 44.502 45.100 -0.117 0.000 0.912 106 G HN 0.554 nan 8.290 nan 0.000 0.574 107 P HA 0.432 nan 4.420 nan 0.000 0.285 107 P C -0.763 176.347 177.300 -0.316 0.000 1.259 107 P CA -0.248 62.496 63.100 -0.593 0.000 0.794 107 P CB 1.345 32.183 31.700 -1.438 0.000 0.940 108 K N 3.700 123.991 120.400 -0.182 0.000 2.263 108 K HA 0.364 4.684 4.320 -0.000 0.000 0.272 108 K C -0.484 176.111 176.600 -0.008 0.000 1.033 108 K CA -0.607 55.642 56.287 -0.063 0.000 0.884 108 K CB 0.286 32.776 32.500 -0.017 0.000 1.107 108 K HN 0.453 nan 8.250 nan 0.000 0.460 109 L N 4.260 125.477 121.223 -0.010 0.000 2.349 109 L HA 0.319 4.659 4.340 -0.000 0.000 0.275 109 L C -0.448 176.325 176.870 -0.161 0.000 1.115 109 L CA -0.939 53.852 54.840 -0.081 0.000 0.820 109 L CB 1.249 43.186 42.059 -0.202 0.000 1.135 109 L HN 0.285 nan 8.230 nan 0.000 0.445 110 V N 3.495 123.260 119.914 -0.248 0.000 2.376 110 V HA 0.260 4.380 4.120 -0.000 0.000 0.287 110 V C -0.372 175.537 176.094 -0.308 0.000 1.015 110 V CA -0.343 61.852 62.300 -0.175 0.000 0.834 110 V CB 1.172 32.958 31.823 -0.061 0.000 1.001 110 V HN 0.430 nan 8.190 nan 0.000 0.428 111 F N 3.304 123.238 119.950 -0.025 0.000 2.626 111 F HA 0.354 4.881 4.527 -0.000 0.000 0.353 111 F C 1.745 177.508 175.800 -0.062 0.000 1.230 111 F CA -0.196 57.770 58.000 -0.056 0.000 1.298 111 F CB 0.364 39.324 39.000 -0.065 0.000 1.670 111 F HN 0.616 nan 8.300 nan 0.000 0.633 112 G N 1.292 110.104 108.800 0.019 0.000 2.450 112 G HA2 -0.079 3.880 3.960 -0.000 0.000 0.220 112 G HA3 -0.079 3.880 3.960 -0.000 0.000 0.220 112 G C 0.999 175.889 174.900 -0.016 0.000 1.130 112 G CA 0.477 45.574 45.100 -0.005 0.000 0.760 112 G HN 0.614 nan 8.290 nan 0.000 0.557 113 A N 0.375 123.172 122.820 -0.038 0.000 2.462 113 A HA 0.404 4.724 4.320 -0.000 0.000 0.243 113 A C 0.418 177.968 177.584 -0.058 0.000 1.076 113 A CA -0.297 51.693 52.037 -0.078 0.000 0.773 113 A CB 0.331 19.228 19.000 -0.170 0.000 1.010 113 A HN 0.228 nan 8.150 nan 0.000 0.493 114 E N 0.726 120.888 120.200 -0.064 0.000 2.406 114 E HA 0.263 4.613 4.350 -0.000 0.000 0.258 114 E C 1.225 177.781 176.600 -0.072 0.000 1.043 114 E CA 1.494 57.861 56.400 -0.056 0.000 0.929 114 E CB 0.400 30.069 29.700 -0.052 0.000 0.969 114 E HN 1.325 nan 8.360 nan 0.000 0.462 115 G N 3.839 112.599 108.800 -0.066 0.000 2.176 115 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.253 115 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.253 115 G C 0.934 175.774 174.900 -0.100 0.000 0.979 115 G CA 0.696 45.748 45.100 -0.080 0.000 0.641 115 G HN 0.577 nan 8.290 nan 0.000 0.530 116 Q N 0.030 119.775 119.800 -0.091 0.000 2.020 116 Q HA -0.080 4.260 4.340 -0.000 0.000 0.202 116 Q C 2.221 178.132 176.000 -0.147 0.000 0.982 116 Q CA 1.895 57.645 55.803 -0.087 0.000 0.838 116 Q CB -0.208 28.527 28.738 -0.006 0.000 0.899 116 Q HN 0.711 nan 8.270 nan 0.000 0.423 117 E N -0.233 119.824 120.200 -0.239 0.000 2.118 117 E HA -0.222 4.128 4.350 -0.000 0.000 0.195 117 E C 1.884 178.278 176.600 -0.343 0.000 0.992 117 E CA 1.524 57.592 56.400 -0.555 0.000 0.804 117 E CB 0.099 29.427 29.700 -0.620 0.000 0.741 117 E HN 0.516 nan 8.360 nan 0.000 0.458 118 E N -0.322 119.754 120.200 -0.208 0.000 2.122 118 E HA -0.103 4.247 4.350 -0.000 0.000 0.190 118 E C 1.353 177.881 176.600 -0.120 0.000 0.977 118 E CA 0.675 56.989 56.400 -0.145 0.000 0.820 118 E CB -0.122 29.515 29.700 -0.104 0.000 0.770 118 E HN 0.223 nan 8.360 nan 0.000 0.462 119 N N 0.453 119.082 118.700 -0.119 0.000 2.414 119 N HA 0.039 4.779 4.740 -0.000 0.000 0.177 119 N C 0.792 176.229 175.510 -0.121 0.000 1.062 119 N CA 0.220 53.209 53.050 -0.101 0.000 0.890 119 N CB 0.737 39.172 38.487 -0.086 0.000 1.070 119 N HN 0.011 nan 8.380 nan 0.000 0.454 120 S N -0.113 115.505 115.700 -0.136 0.000 2.694 120 S HA 0.516 4.986 4.470 -0.000 0.000 0.278 120 S C 0.046 174.541 174.600 -0.175 0.000 1.152 120 S CA -0.422 57.690 58.200 -0.147 0.000 1.010 120 S CB 0.687 63.846 63.200 -0.069 0.000 1.104 120 S HN 0.346 nan 8.310 nan 0.000 0.547 121 T N -0.521 113.908 114.554 -0.209 0.000 2.916 121 T HA 0.775 5.125 4.350 -0.000 0.000 0.292 121 T C -0.572 174.042 174.700 -0.143 0.000 1.055 121 T CA -0.627 61.371 62.100 -0.170 0.000 1.009 121 T CB 1.342 70.109 68.868 -0.168 0.000 1.118 121 T HN 0.793 nan 8.240 nan 0.000 0.497 122 S N 0.278 115.910 115.700 -0.113 0.000 2.685 122 S HA 0.677 5.147 4.470 -0.000 0.000 0.282 122 S C 0.131 174.690 174.600 -0.068 0.000 1.159 122 S CA -0.799 57.335 58.200 -0.111 0.000 0.833 122 S CB 1.255 64.423 63.200 -0.052 0.000 1.151 122 S HN 1.378 nan 8.310 nan 0.000 0.485 123 I N -2.733 117.813 120.570 -0.040 0.000 3.994 123 I HA 0.393 4.563 4.170 -0.000 0.000 0.323 123 I C 0.730 176.962 176.117 0.191 0.000 1.501 123 I CA -0.378 60.953 61.300 0.051 0.000 1.112 123 I CB -0.221 37.769 38.000 -0.016 0.000 1.254 123 I HN 0.531 nan 8.210 nan 0.000 0.495 124 C N 1.769 121.187 119.300 0.196 0.000 2.448 124 C HA 0.104 4.564 4.460 -0.000 0.000 0.280 124 C C 1.655 176.877 174.990 0.387 0.000 1.398 124 C CA 1.570 60.757 59.018 0.281 0.000 1.774 124 C CB -0.820 27.042 27.740 0.204 0.000 1.888 124 C HN 0.763 nan 8.230 nan 0.000 0.519 125 T N -3.656 111.062 114.554 0.273 0.000 2.916 125 T HA 0.633 4.983 4.350 -0.000 0.000 0.292 125 T C 0.783 175.197 174.700 -0.477 0.000 1.064 125 T CA 0.078 62.195 62.100 0.028 0.000 1.011 125 T CB 1.655 70.556 68.868 0.054 0.000 1.152 125 T HN 0.019 nan 8.240 nan 0.000 0.510 126 A N 0.476 122.817 122.820 -0.797 0.000 1.930 126 A HA 0.018 4.338 4.320 -0.000 0.000 0.217 126 A C 2.024 179.413 177.584 -0.324 0.000 1.175 126 A CA 1.598 53.222 52.037 -0.688 0.000 0.627 126 A CB -1.034 17.777 19.000 -0.315 0.000 0.815 126 A HN 0.912 nan 8.150 nan 0.000 0.443 127 E N -0.360 119.682 120.200 -0.264 0.000 2.031 127 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 127 E C 2.002 178.485 176.600 -0.195 0.000 0.994 127 E CA 1.562 57.810 56.400 -0.252 0.000 0.800 127 E CB -0.399 29.130 29.700 -0.286 0.000 0.752 127 E HN 0.698 nan 8.360 nan 0.000 0.447 128 H N -0.140 118.886 119.070 -0.074 0.000 2.353 128 H HA 0.018 4.574 4.556 -0.000 0.000 0.300 128 H C 2.038 177.340 175.328 -0.043 0.000 1.090 128 H CA 1.426 57.452 56.048 -0.035 0.000 1.327 128 H CB -0.556 29.219 29.762 0.021 0.000 1.383 128 H HN 0.236 nan 8.280 nan 0.000 0.508 129 A N 1.062 123.908 122.820 0.044 0.000 1.940 129 A HA -0.130 4.190 4.320 -0.000 0.000 0.219 129 A C 2.691 180.297 177.584 0.037 0.000 1.176 129 A CA 1.256 53.310 52.037 0.028 0.000 0.631 129 A CB -0.873 18.109 19.000 -0.029 0.000 0.814 129 A HN 0.299 nan 8.150 nan 0.000 0.446 130 L N -1.424 119.791 121.223 -0.014 0.000 2.217 130 L HA -0.094 4.246 4.340 -0.000 0.000 0.211 130 L C 2.534 179.413 176.870 0.014 0.000 1.107 130 L CA 1.251 56.088 54.840 -0.005 0.000 0.783 130 L CB -0.256 41.763 42.059 -0.066 0.000 0.919 130 L HN 0.339 nan 8.230 nan 0.000 0.442 131 E N -0.261 119.949 120.200 0.016 0.000 2.152 131 E HA -0.131 4.219 4.350 -0.000 0.000 0.192 131 E C 2.061 178.703 176.600 0.070 0.000 0.983 131 E CA 1.253 57.672 56.400 0.033 0.000 0.818 131 E CB -0.017 29.702 29.700 0.031 0.000 0.758 131 E HN 0.247 nan 8.360 nan 0.000 0.467 132 T N 0.414 115.025 114.554 0.094 0.000 2.788 132 T HA -0.210 4.140 4.350 -0.000 0.000 0.268 132 T C 1.683 176.487 174.700 0.173 0.000 1.044 132 T CA 1.451 63.647 62.100 0.159 0.000 1.139 132 T CB -0.264 68.691 68.868 0.145 0.000 0.867 132 T HN 0.154 nan 8.240 nan 0.000 0.454 133 Q N 1.646 121.517 119.800 0.118 0.000 2.135 133 Q HA -0.083 4.257 4.340 -0.000 0.000 0.204 133 Q C 2.004 178.033 176.000 0.048 0.000 0.981 133 Q CA 1.689 57.542 55.803 0.084 0.000 0.856 133 Q CB -0.259 28.529 28.738 0.084 0.000 0.902 133 Q HN 0.428 nan 8.270 nan 0.000 0.425 134 K N -0.036 120.394 120.400 0.051 0.000 2.057 134 K HA -0.117 4.203 4.320 -0.000 0.000 0.207 134 K C 2.128 178.740 176.600 0.021 0.000 1.049 134 K CA 1.545 57.852 56.287 0.034 0.000 0.931 134 K CB -0.066 32.453 32.500 0.032 0.000 0.714 134 K HN 0.180 nan 8.250 nan 0.000 0.440 135 K N 0.713 121.153 120.400 0.067 0.000 2.217 135 K HA -0.017 4.303 4.320 -0.000 0.000 0.202 135 K C 2.041 178.598 176.600 -0.072 0.000 1.051 135 K CA 0.614 56.962 56.287 0.103 0.000 0.952 135 K CB 0.028 32.709 32.500 0.301 0.000 0.736 135 K HN 0.107 nan 8.250 nan 0.000 0.453 136 L N 0.946 122.032 121.223 -0.228 0.000 2.093 136 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 136 L C 2.459 178.793 176.870 -0.892 0.000 1.085 136 L CA 0.923 55.353 54.840 -0.684 0.000 0.755 136 L CB -0.248 41.505 42.059 -0.509 0.000 0.904 136 L HN 0.186 nan 8.230 nan 0.000 0.435 137 Q N 0.086 119.659 119.800 -0.379 0.000 2.124 137 Q HA -0.204 4.136 4.340 -0.000 0.000 0.202 137 Q C 1.999 177.913 176.000 -0.143 0.000 0.977 137 Q CA 1.329 57.036 55.803 -0.160 0.000 0.850 137 Q CB -0.142 28.604 28.738 0.014 0.000 0.901 137 Q HN 0.593 nan 8.270 nan 0.000 0.429 138 E N 0.322 120.439 120.200 -0.139 0.000 2.110 138 E HA -0.170 4.180 4.350 -0.000 0.000 0.193 138 E C 2.017 178.550 176.600 -0.112 0.000 0.988 138 E CA 0.636 56.990 56.400 -0.076 0.000 0.804 138 E CB -0.095 29.591 29.700 -0.024 0.000 0.745 138 E HN 0.132 nan 8.360 nan 0.000 0.458 139 L N 0.301 121.366 121.223 -0.264 0.000 2.056 139 L HA -0.168 4.172 4.340 -0.000 0.000 0.207 139 L C 1.952 178.731 176.870 -0.152 0.000 1.078 139 L CA 1.579 56.261 54.840 -0.263 0.000 0.749 139 L CB -0.392 41.371 42.059 -0.493 0.000 0.901 139 L HN 0.037 nan 8.230 nan 0.000 0.433 140 Y N -0.094 120.161 120.300 -0.075 0.000 2.242 140 Y HA -0.029 4.521 4.550 -0.000 0.000 0.291 140 Y C 2.600 178.480 175.900 -0.033 0.000 1.137 140 Y CA 0.640 58.707 58.100 -0.055 0.000 1.181 140 Y CB -1.587 36.844 38.460 -0.048 0.000 0.989 140 Y HN 0.289 nan 8.280 nan 0.000 0.527 141 A N -0.029 122.853 122.820 0.103 0.000 1.898 141 A HA -0.088 4.232 4.320 -0.000 0.000 0.216 141 A C 0.934 178.539 177.584 0.035 0.000 1.181 141 A CA 1.199 53.273 52.037 0.061 0.000 0.620 141 A CB -0.368 18.656 19.000 0.041 0.000 0.819 141 A HN 0.367 nan 8.150 nan 0.000 0.442 142 N N 0.678 119.390 118.700 0.019 0.000 2.746 142 N HA 0.299 5.039 4.740 -0.000 0.000 0.250 142 N C -3.158 172.357 175.510 0.007 0.000 1.146 142 N CA -1.088 51.969 53.050 0.012 0.000 0.828 142 N CB 1.151 39.644 38.487 0.010 0.000 1.158 142 N HN 0.097 nan 8.380 nan 0.000 0.519 143 P HA 0.159 nan 4.420 nan 0.000 0.266 143 P C 0.311 177.612 177.300 0.002 0.000 1.195 143 P CA 0.223 63.324 63.100 0.002 0.000 0.768 143 P CB 0.857 32.546 31.700 -0.018 0.000 0.838 144 G N 1.918 110.727 108.800 0.015 0.000 2.550 144 G HA2 0.498 4.458 3.960 -0.000 0.000 0.293 144 G HA3 0.498 4.458 3.960 -0.000 0.000 0.293 144 G C -3.347 171.584 174.900 0.052 0.000 1.402 144 G CA -1.092 44.025 45.100 0.029 0.000 0.784 144 G HN 0.148 nan 8.290 nan 0.000 0.482 145 P HA 0.378 nan 4.420 nan 0.000 0.268 145 P C -0.457 176.915 177.300 0.121 0.000 1.204 145 P CA -0.188 62.958 63.100 0.077 0.000 0.768 145 P CB 1.285 33.025 31.700 0.067 0.000 0.842 146 V N 4.553 124.547 119.914 0.134 0.000 2.555 146 V HA 0.488 4.608 4.120 -0.000 0.000 0.302 146 V C -0.094 176.092 176.094 0.154 0.000 1.038 146 V CA -0.646 61.774 62.300 0.200 0.000 0.887 146 V CB 2.215 34.173 31.823 0.224 0.000 0.991 146 V HN 0.365 nan 8.190 nan 0.000 0.434 147 V N 6.977 126.981 119.914 0.149 0.000 2.638 147 V HA 0.702 4.822 4.120 -0.000 0.000 0.306 147 V C -0.968 175.086 176.094 -0.066 0.000 1.052 147 V CA -0.245 62.109 62.300 0.089 0.000 0.885 147 V CB 1.687 33.597 31.823 0.145 0.000 0.999 147 V HN 0.768 nan 8.190 nan 0.000 0.424 148 I N 5.890 126.303 120.570 -0.261 0.000 2.785 148 I HA 1.012 5.182 4.170 -0.000 0.000 0.302 148 I C 0.586 175.992 176.117 -1.186 0.000 1.069 148 I CA 0.054 61.005 61.300 -0.583 0.000 1.045 148 I CB 2.299 40.264 38.000 -0.057 0.000 1.236 148 I HN 0.985 nan 8.210 nan 0.000 0.429 149 G N 2.607 110.461 108.800 -1.577 0.000 2.360 149 G HA2 0.613 4.573 3.960 -0.000 0.000 0.276 149 G HA3 0.613 4.573 3.960 -0.000 0.000 0.276 149 G C -2.193 172.269 174.900 -0.729 0.000 1.256 149 G CA 0.052 44.299 45.100 -1.422 0.000 0.890 149 G HN 0.858 nan 8.290 nan 0.000 0.486 150 A N -0.474 122.202 122.820 -0.241 0.000 2.435 150 A HA 0.846 5.166 4.320 -0.000 0.000 0.304 150 A C 0.019 177.700 177.584 0.163 0.000 1.064 150 A CA -0.262 51.791 52.037 0.026 0.000 0.727 150 A CB 0.974 20.026 19.000 0.087 0.000 1.284 150 A HN 1.835 nan 8.150 nan 0.000 0.415 151 I N -0.910 119.709 120.570 0.082 0.000 3.078 151 I HA 0.658 4.828 4.170 -0.000 0.000 0.318 151 I C -2.599 173.516 176.117 -0.003 0.000 1.016 151 I CA -2.869 58.442 61.300 0.018 0.000 1.130 151 I CB 1.025 38.994 38.000 -0.052 0.000 1.397 151 I HN 0.239 nan 8.210 nan 0.000 0.570 152 P HA 0.170 nan 4.420 nan 0.000 0.268 152 P C 0.521 177.797 177.300 -0.041 0.000 1.205 152 P CA 0.911 64.008 63.100 -0.005 0.000 0.771 152 P CB 0.771 32.467 31.700 -0.006 0.000 0.858 153 G N 0.807 109.588 108.800 -0.031 0.000 2.194 153 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.236 153 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.236 153 G C 0.155 174.960 174.900 -0.158 0.000 0.987 153 G CA -0.152 44.908 45.100 -0.067 0.000 0.635 153 G HN 0.538 nan 8.290 nan 0.000 0.520 154 V N 2.152 121.931 119.914 -0.226 0.000 2.763 154 V HA 0.472 4.592 4.120 -0.000 0.000 0.306 154 V C 1.110 176.868 176.094 -0.559 0.000 1.059 154 V CA 0.919 62.896 62.300 -0.538 0.000 1.138 154 V CB 1.314 32.720 31.823 -0.696 0.000 0.940 154 V HN 1.128 nan 8.190 nan 0.000 0.489 158 G N 2.500 111.501 108.800 0.335 0.000 2.574 158 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.220 158 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.220 158 G C -0.827 174.235 174.900 0.270 0.000 1.173 158 G CA 1.884 47.080 45.100 0.160 0.000 0.772 158 G HN 0.249 nan 8.290 nan 0.000 0.585 159 P HA -0.009 nan 4.420 nan 0.000 0.219 159 P C 2.018 179.475 177.300 0.261 0.000 1.146 159 P CA 1.778 64.994 63.100 0.193 0.000 0.808 159 P CB -0.127 31.645 31.700 0.121 0.000 0.779 160 A N -1.677 121.305 122.820 0.270 0.000 1.897 160 A HA -0.179 4.141 4.320 -0.000 0.000 0.215 160 A C 1.973 179.842 177.584 0.476 0.000 1.181 160 A CA 1.207 53.416 52.037 0.287 0.000 0.620 160 A CB -1.747 17.345 19.000 0.153 0.000 0.821 160 A HN 0.112 nan 8.150 nan 0.000 0.443 161 Y N 0.288 120.870 120.300 0.470 0.000 2.181 161 Y HA -0.174 4.376 4.550 -0.000 0.000 0.288 161 Y C 2.519 178.629 175.900 0.350 0.000 1.146 161 Y CA 1.731 60.024 58.100 0.322 0.000 1.164 161 Y CB -0.289 38.312 38.460 0.235 0.000 0.982 161 Y HN 0.394 nan 8.280 nan 0.000 0.515 162 E N -0.661 119.836 120.200 0.494 0.000 2.058 162 E HA -0.255 4.095 4.350 -0.000 0.000 0.194 162 E C 1.990 178.781 176.600 0.317 0.000 0.997 162 E CA 1.516 58.154 56.400 0.395 0.000 0.801 162 E CB -0.434 29.424 29.700 0.262 0.000 0.746 162 E HN 0.459 nan 8.360 nan 0.000 0.450 163 F N 1.155 121.208 119.950 0.173 0.000 2.113 163 F HA -0.173 4.354 4.527 -0.000 0.000 0.297 163 F C 2.254 178.132 175.800 0.130 0.000 1.103 163 F CA 1.361 59.423 58.000 0.104 0.000 1.248 163 F CB -0.202 38.857 39.000 0.099 0.000 0.999 163 F HN -0.045 nan 8.300 nan 0.000 0.475 164 A N 0.476 123.480 122.820 0.307 0.000 1.883 164 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 164 A C 2.105 179.731 177.584 0.069 0.000 1.186 164 A CA 1.808 53.952 52.037 0.179 0.000 0.624 164 A CB -1.065 18.075 19.000 0.233 0.000 0.822 164 A HN 0.397 nan 8.150 nan 0.000 0.444 165 L N -1.127 120.174 121.223 0.130 0.000 2.109 165 L HA -0.040 4.300 4.340 -0.000 0.000 0.207 165 L C 2.666 179.666 176.870 0.217 0.000 1.086 165 L CA 1.709 56.633 54.840 0.140 0.000 0.760 165 L CB -1.344 40.772 42.059 0.095 0.000 0.910 165 L HN 0.452 nan 8.230 nan 0.000 0.437 166 M N -1.077 118.609 119.600 0.142 0.000 2.117 166 M HA -0.243 4.237 4.480 -0.000 0.000 0.262 166 M C 2.157 178.484 176.300 0.045 0.000 1.065 166 M CA 1.476 56.837 55.300 0.102 0.000 1.114 166 M CB -0.405 32.064 32.600 -0.218 0.000 1.361 166 M HN 0.174 nan 8.290 nan 0.000 0.408 167 L N -0.383 120.733 121.223 -0.178 0.000 2.056 167 L HA -0.192 4.148 4.340 -0.000 0.000 0.207 167 L C 2.447 179.333 176.870 0.027 0.000 1.078 167 L CA 2.145 56.880 54.840 -0.174 0.000 0.749 167 L CB -0.899 40.949 42.059 -0.352 0.000 0.901 167 L HN 0.329 nan 8.230 nan 0.000 0.433 168 H N -1.756 117.316 119.070 0.003 0.000 2.352 168 H HA -0.307 4.249 4.556 -0.000 0.000 0.299 168 H C 2.085 177.468 175.328 0.092 0.000 1.097 168 H CA 2.462 58.529 56.048 0.033 0.000 1.311 168 H CB -0.576 29.190 29.762 0.008 0.000 1.377 168 H HN 0.535 nan 8.280 nan 0.000 0.504 169 Y N 0.908 121.169 120.300 -0.064 0.000 2.181 169 Y HA -0.176 4.374 4.550 -0.000 0.000 0.288 169 Y C 2.546 178.426 175.900 -0.033 0.000 1.146 169 Y CA 2.037 60.100 58.100 -0.061 0.000 1.164 169 Y CB -0.324 38.219 38.460 0.138 0.000 0.982 169 Y HN 0.391 nan 8.280 nan 0.000 0.515 170 E N 0.262 120.502 120.200 0.068 0.000 2.038 170 E HA -0.193 4.157 4.350 -0.000 0.000 0.195 170 E C 1.927 178.408 176.600 -0.199 0.000 1.000 170 E CA 1.721 58.112 56.400 -0.015 0.000 0.803 170 E CB -0.585 29.197 29.700 0.137 0.000 0.750 170 E HN 0.405 nan 8.360 nan 0.000 0.448 171 L N 1.016 122.149 121.223 -0.149 0.000 2.042 171 L HA -0.168 4.172 4.340 -0.000 0.000 0.210 171 L C 2.185 178.945 176.870 -0.183 0.000 1.076 171 L CA 1.708 56.464 54.840 -0.140 0.000 0.749 171 L CB -0.896 41.130 42.059 -0.054 0.000 0.893 171 L HN 0.118 nan 8.230 nan 0.000 0.432 172 K N -0.320 119.912 120.400 -0.281 0.000 2.057 172 K HA -0.140 4.180 4.320 -0.000 0.000 0.207 172 K C 2.000 178.446 176.600 -0.255 0.000 1.049 172 K CA 0.930 57.053 56.287 -0.274 0.000 0.931 172 K CB -0.163 32.113 32.500 -0.374 0.000 0.714 172 K HN 0.281 nan 8.250 nan 0.000 0.440 173 K N 0.647 120.835 120.400 -0.354 0.000 2.148 173 K HA -0.085 4.235 4.320 -0.000 0.000 0.204 173 K C 2.029 178.503 176.600 -0.210 0.000 1.050 173 K CA 0.923 57.023 56.287 -0.312 0.000 0.942 173 K CB -0.086 32.162 32.500 -0.419 0.000 0.724 173 K HN 0.151 nan 8.250 nan 0.000 0.446 174 R N -0.395 119.980 120.500 -0.208 0.000 2.299 174 R HA 0.022 4.362 4.340 -0.000 0.000 0.197 174 R C 0.869 177.115 176.300 -0.091 0.000 0.971 174 R CA 0.553 56.553 56.100 -0.166 0.000 1.030 174 R CB 0.127 30.285 30.300 -0.237 0.000 0.932 174 R HN 0.309 nan 8.270 nan 0.000 0.477 175 G N 2.127 110.882 108.800 -0.075 0.000 2.221 175 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.265 175 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.265 175 G C 0.483 175.448 174.900 0.108 0.000 1.041 175 G CA 0.628 45.728 45.100 -0.000 0.000 0.807 175 G HN 0.547 nan 8.290 nan 0.000 0.502 176 I N -3.652 116.958 120.570 0.066 0.000 4.050 176 I HA 0.507 4.677 4.170 -0.000 0.000 0.327 176 I C 1.752 177.898 176.117 0.048 0.000 1.473 176 I CA -0.186 61.156 61.300 0.070 0.000 1.124 176 I CB 0.386 38.387 38.000 0.003 0.000 1.129 176 I HN 0.020 nan 8.210 nan 0.000 0.428 177 R N 2.337 122.895 120.500 0.096 0.000 2.115 177 R HA -0.177 4.163 4.340 -0.000 0.000 0.230 177 R C 2.010 178.389 176.300 0.131 0.000 1.111 177 R CA 2.200 58.349 56.100 0.082 0.000 0.976 177 R CB -0.978 29.345 30.300 0.039 0.000 0.870 177 R HN 0.756 nan 8.270 nan 0.000 0.445 178 Y N -1.195 119.112 120.300 0.012 0.000 2.680 178 Y HA 0.174 4.724 4.550 -0.000 0.000 0.303 178 Y C 0.705 176.617 175.900 0.021 0.000 1.166 178 Y CA 0.353 58.465 58.100 0.019 0.000 1.344 178 Y CB 0.187 38.655 38.460 0.012 0.000 1.002 178 Y HN -0.138 nan 8.280 nan 0.000 0.537 179 K N 0.598 120.787 120.400 -0.350 0.000 2.374 179 K HA 0.288 4.608 4.320 -0.000 0.000 0.202 179 K C -0.618 175.908 176.600 -0.123 0.000 1.040 179 K CA 0.129 56.213 56.287 -0.338 0.000 1.085 179 K CB 1.589 33.851 32.500 -0.396 0.000 0.873 179 K HN 0.139 nan 8.250 nan 0.000 0.539 180 V N 4.176 124.062 119.914 -0.048 0.000 2.357 180 V HA 0.230 4.350 4.120 -0.000 0.000 0.281 180 V C -2.577 173.537 176.094 0.034 0.000 1.015 180 V CA -2.033 60.270 62.300 0.006 0.000 0.827 180 V CB 1.453 33.292 31.823 0.027 0.000 1.018 180 V HN -0.026 nan 8.190 nan 0.000 0.432 181 P HA 0.355 nan 4.420 nan 0.000 0.271 181 P C -0.570 176.765 177.300 0.057 0.000 1.216 181 P CA 0.030 63.156 63.100 0.043 0.000 0.776 181 P CB 0.511 32.234 31.700 0.038 0.000 0.881 182 M N 1.733 121.362 119.600 0.049 0.000 2.263 182 M HA 0.359 4.839 4.480 -0.000 0.000 0.295 182 M C -0.812 175.514 176.300 0.043 0.000 1.028 182 M CA -0.168 55.163 55.300 0.052 0.000 0.921 182 M CB 2.435 35.053 32.600 0.031 0.000 1.601 182 M HN 0.172 nan 8.290 nan 0.000 0.440 183 T N 2.340 116.937 114.554 0.073 0.000 2.881 183 T HA 0.531 4.881 4.350 -0.000 0.000 0.290 183 T C -1.417 173.365 174.700 0.136 0.000 1.000 183 T CA -0.459 61.700 62.100 0.099 0.000 0.978 183 T CB 1.431 70.348 68.868 0.082 0.000 0.997 183 T HN 0.432 nan 8.240 nan 0.000 0.443 184 F N 3.960 123.940 119.950 0.049 0.000 2.388 184 F HA 0.658 5.185 4.527 -0.000 0.000 0.358 184 F C -0.787 175.066 175.800 0.088 0.000 1.122 184 F CA -1.082 56.947 58.000 0.050 0.000 1.056 184 F CB 0.444 39.551 39.000 0.178 0.000 1.155 184 F HN 0.437 nan 8.300 nan 0.000 0.461 185 I N 5.479 125.870 120.570 -0.297 0.000 2.389 185 I HA 0.343 4.513 4.170 -0.000 0.000 0.288 185 I C -0.197 175.785 176.117 -0.225 0.000 0.999 185 I CA -0.482 60.729 61.300 -0.149 0.000 1.129 185 I CB 1.965 39.932 38.000 -0.054 0.000 1.288 185 I HN 0.487 nan 8.210 nan 0.000 0.444 186 T N 2.226 116.745 114.554 -0.059 0.000 2.906 186 T HA 0.246 4.596 4.350 -0.000 0.000 0.295 186 T C 0.904 175.623 174.700 0.031 0.000 1.061 186 T CA -0.462 61.636 62.100 -0.002 0.000 1.000 186 T CB 1.582 70.503 68.868 0.089 0.000 1.103 186 T HN 0.681 nan 8.240 nan 0.000 0.486 187 S N 2.057 117.807 115.700 0.083 0.000 2.489 187 S HA 0.107 4.577 4.470 -0.000 0.000 0.228 187 S C 0.577 175.132 174.600 -0.075 0.000 0.995 187 S CA 0.069 58.295 58.200 0.045 0.000 0.934 187 S CB -0.444 62.821 63.200 0.107 0.000 0.771 187 S HN 0.798 nan 8.310 nan 0.000 0.522 188 E N 2.942 123.024 120.200 -0.197 0.000 2.481 188 E HA 0.022 4.372 4.350 -0.000 0.000 0.263 188 E C -1.476 174.899 176.600 -0.375 0.000 0.992 188 E CA -1.197 54.916 56.400 -0.479 0.000 0.938 188 E CB 0.422 29.777 29.700 -0.575 0.000 0.933 188 E HN 0.218 nan 8.360 nan 0.000 0.453 189 P HA -0.135 nan 4.420 nan 0.000 0.220 189 P C -0.620 176.622 177.300 -0.096 0.000 1.148 189 P CA 1.508 64.436 63.100 -0.285 0.000 0.803 189 P CB -0.020 31.492 31.700 -0.313 0.000 0.782 190 Y N -4.357 115.843 120.300 -0.168 0.000 2.656 190 Y HA 0.554 5.104 4.550 -0.000 0.000 0.334 190 Y C -0.767 174.976 175.900 -0.262 0.000 1.179 190 Y CA -2.388 55.619 58.100 -0.156 0.000 1.050 190 Y CB -0.237 38.141 38.460 -0.137 0.000 1.308 190 Y HN -0.411 nan 8.280 nan 0.000 0.456 191 L N 2.875 123.984 121.223 -0.190 0.000 2.525 191 L HA 0.410 4.750 4.340 -0.000 0.000 0.278 191 L C 1.335 177.945 176.870 -0.433 0.000 1.218 191 L CA 1.797 56.404 54.840 -0.388 0.000 0.878 191 L CB 0.110 41.703 42.059 -0.777 0.000 1.127 191 L HN 1.179 nan 8.230 nan 0.000 0.492 192 G N 1.468 109.767 108.800 -0.835 0.000 2.143 192 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.248 192 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.248 192 G C 1.246 175.370 174.900 -1.294 0.000 0.991 192 G CA 0.558 44.787 45.100 -1.452 0.000 0.689 192 G HN 0.850 nan 8.290 nan 0.000 0.522 193 H N -0.185 118.228 119.070 -1.095 0.000 2.333 193 H HA -0.012 4.544 4.556 -0.000 0.000 0.302 193 H C 2.118 177.049 175.328 -0.661 0.000 1.075 193 H CA 1.985 57.477 56.048 -0.927 0.000 1.348 193 H CB -0.137 28.909 29.762 -1.193 0.000 1.393 193 H HN 0.786 nan 8.280 nan 0.000 0.509 194 F N -1.004 118.706 119.950 -0.400 0.000 2.973 194 F HA -0.235 4.291 4.527 -0.000 0.000 0.299 194 F C 1.637 177.412 175.800 -0.042 0.000 0.737 194 F CA 1.568 59.430 58.000 -0.230 0.000 1.151 194 F CB -2.008 36.844 39.000 -0.246 0.000 1.440 194 F HN 0.461 nan 8.300 nan 0.000 0.367 195 G N -0.796 108.047 108.800 0.073 0.000 2.155 195 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.257 195 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.257 195 G C 0.576 175.475 174.900 -0.003 0.000 0.983 195 G CA 0.661 45.889 45.100 0.213 0.000 0.676 195 G HN 1.702 nan 8.290 nan 0.000 0.528 196 V N -3.587 116.166 119.914 -0.268 0.000 3.432 196 V HA 0.675 4.795 4.120 -0.000 0.000 0.298 196 V C 1.711 177.602 176.094 -0.337 0.000 1.464 196 V CA 1.013 63.188 62.300 -0.207 0.000 1.046 196 V CB 0.129 31.893 31.823 -0.099 0.000 0.887 196 V HN 2.126 nan 8.190 nan 0.000 0.441 197 G N -0.128 108.194 108.800 -0.797 0.000 2.160 197 G HA2 0.236 4.196 3.960 -0.000 0.000 0.251 197 G HA3 0.236 4.196 3.960 -0.000 0.000 0.251 197 G C 1.111 175.862 174.900 -0.250 0.000 1.008 197 G CA 0.302 45.098 45.100 -0.506 0.000 0.724 197 G HN 2.531 nan 8.290 nan 0.000 0.514 198 G N -1.511 107.084 108.800 -0.341 0.000 2.692 198 G HA2 0.178 4.138 3.960 -0.000 0.000 0.686 198 G HA3 0.178 4.138 3.960 -0.000 0.000 0.686 198 G C -0.500 174.350 174.900 -0.084 0.000 1.243 198 G CA -0.270 44.737 45.100 -0.155 0.000 0.782 198 G HN 1.310 nan 8.290 nan 0.000 0.625 199 I N 2.890 123.447 120.570 -0.022 0.000 2.448 199 I HA 0.551 4.721 4.170 -0.000 0.000 0.281 199 I C 1.221 177.398 176.117 0.099 0.000 1.027 199 I CA 0.400 61.725 61.300 0.041 0.000 1.111 199 I CB 0.855 38.901 38.000 0.077 0.000 1.236 199 I HN 1.959 nan 8.210 nan 0.000 0.452 200 G N 4.907 113.741 108.800 0.055 0.000 2.596 200 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.295 200 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.295 200 G C 0.538 175.460 174.900 0.037 0.000 1.240 200 G CA 0.272 45.407 45.100 0.057 0.000 0.985 200 G HN 0.952 nan 8.290 nan 0.000 0.555 201 A N 0.275 123.124 122.820 0.049 0.000 3.105 201 A HA 0.621 4.941 4.320 -0.000 0.000 0.272 201 A C 1.985 179.589 177.584 0.032 0.000 1.466 201 A CA 1.381 53.425 52.037 0.013 0.000 1.101 201 A CB -0.672 18.333 19.000 0.008 0.000 1.065 201 A HN 2.014 nan 8.150 nan 0.000 0.643 202 S N 0.252 115.989 115.700 0.061 0.000 2.399 202 S HA -0.230 4.240 4.470 -0.000 0.000 0.231 202 S C 1.875 176.405 174.600 -0.116 0.000 1.022 202 S CA 1.430 59.681 58.200 0.084 0.000 0.983 202 S CB -0.273 62.956 63.200 0.048 0.000 0.803 202 S HN 0.679 nan 8.310 nan 0.000 0.480 203 K N 1.436 121.735 120.400 -0.169 0.000 2.026 203 K HA -0.101 4.219 4.320 -0.000 0.000 0.208 203 K C 2.575 179.046 176.600 -0.215 0.000 1.048 203 K CA 1.227 57.376 56.287 -0.230 0.000 0.929 203 K CB -0.261 32.070 32.500 -0.281 0.000 0.713 203 K HN 0.370 nan 8.250 nan 0.000 0.439 204 R N 0.850 121.262 120.500 -0.145 0.000 2.083 204 R HA -0.136 4.204 4.340 -0.000 0.000 0.237 204 R C 2.542 178.791 176.300 -0.085 0.000 1.137 204 R CA 1.595 57.635 56.100 -0.099 0.000 0.951 204 R CB -0.387 29.876 30.300 -0.061 0.000 0.851 204 R HN 0.332 nan 8.270 nan 0.000 0.434 205 L N 0.175 121.365 121.223 -0.055 0.000 1.989 205 L HA -0.193 4.147 4.340 -0.000 0.000 0.211 205 L C 2.035 178.852 176.870 -0.088 0.000 1.071 205 L CA 1.540 56.367 54.840 -0.023 0.000 0.749 205 L CB -0.231 41.866 42.059 0.062 0.000 0.890 205 L HN 0.080 nan 8.230 nan 0.000 0.431 206 V N -0.187 119.613 119.914 -0.189 0.000 2.427 206 V HA -0.256 3.864 4.120 -0.000 0.000 0.248 206 V C 2.400 178.199 176.094 -0.491 0.000 1.051 206 V CA 1.966 64.023 62.300 -0.405 0.000 1.048 206 V CB -0.631 30.814 31.823 -0.630 0.000 0.666 206 V HN 0.483 nan 8.190 nan 0.000 0.456 207 E N 0.132 120.096 120.200 -0.394 0.000 2.058 207 E HA -0.253 4.097 4.350 -0.000 0.000 0.194 207 E C 2.021 178.598 176.600 -0.039 0.000 0.997 207 E CA 1.668 57.909 56.400 -0.266 0.000 0.801 207 E CB -0.166 29.432 29.700 -0.169 0.000 0.746 207 E HN 0.606 nan 8.360 nan 0.000 0.450 208 D N 0.452 120.832 120.400 -0.033 0.000 2.117 208 D HA -0.146 4.494 4.640 -0.000 0.000 0.197 208 D C 1.992 178.312 176.300 0.035 0.000 0.987 208 D CA 0.543 54.556 54.000 0.021 0.000 0.829 208 D CB -0.250 40.556 40.800 0.011 0.000 0.961 208 D HN 0.068 nan 8.370 nan 0.000 0.460 209 L N 0.129 121.350 121.223 -0.003 0.000 2.042 209 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 209 L C 2.015 178.966 176.870 0.135 0.000 1.076 209 L CA 1.474 56.319 54.840 0.010 0.000 0.749 209 L CB -0.585 41.425 42.059 -0.082 0.000 0.893 209 L HN -0.117 nan 8.230 nan 0.000 0.432 210 F N -0.310 119.572 119.950 -0.113 0.000 2.186 210 F HA -0.028 4.499 4.527 -0.000 0.000 0.299 210 F C 2.483 178.297 175.800 0.023 0.000 1.090 210 F CA 0.649 58.614 58.000 -0.059 0.000 1.307 210 F CB -1.440 37.542 39.000 -0.030 0.000 1.019 210 F HN 0.193 nan 8.300 nan 0.000 0.489 211 A N 0.018 122.984 122.820 0.243 0.000 1.877 211 A HA -0.204 4.116 4.320 -0.000 0.000 0.216 211 A C 2.135 179.764 177.584 0.075 0.000 1.186 211 A CA 1.785 53.916 52.037 0.157 0.000 0.620 211 A CB -0.838 18.250 19.000 0.148 0.000 0.822 211 A HN 0.405 nan 8.150 nan 0.000 0.443 212 E N -0.774 119.459 120.200 0.054 0.000 2.204 212 E HA -0.129 4.221 4.350 -0.000 0.000 0.195 212 E C 1.587 178.183 176.600 -0.007 0.000 0.990 212 E CA 0.952 57.369 56.400 0.029 0.000 0.821 212 E CB -0.069 29.649 29.700 0.030 0.000 0.750 212 E HN 0.502 nan 8.360 nan 0.000 0.477 213 R N 0.363 120.813 120.500 -0.084 0.000 2.468 213 R HA 0.112 4.452 4.340 -0.000 0.000 0.280 213 R C -0.065 176.050 176.300 -0.309 0.000 0.963 213 R CA -0.155 55.776 56.100 -0.281 0.000 1.083 213 R CB 0.222 30.195 30.300 -0.544 0.000 1.200 213 R HN 0.002 nan 8.270 nan 0.000 0.541 214 N N 1.353 119.986 118.700 -0.112 0.000 2.725 214 N HA -0.192 4.548 4.740 -0.000 0.000 0.251 214 N C -1.197 174.250 175.510 -0.104 0.000 1.031 214 N CA 0.591 53.609 53.050 -0.054 0.000 0.720 214 N CB -0.905 37.586 38.487 0.007 0.000 0.930 214 N HN 0.313 nan 8.380 nan 0.000 0.543 215 I N 0.639 121.098 120.570 -0.184 0.000 2.330 215 I HA 0.185 4.355 4.170 -0.000 0.000 0.286 215 I C 0.427 176.534 176.117 -0.017 0.000 1.025 215 I CA -0.782 60.353 61.300 -0.276 0.000 1.197 215 I CB 0.732 38.235 38.000 -0.828 0.000 1.358 215 I HN 0.071 nan 8.210 nan 0.000 0.467 216 D N 7.096 127.523 120.400 0.044 0.000 2.368 216 D HA 0.204 4.844 4.640 -0.000 0.000 0.240 216 D C -0.666 175.800 176.300 0.276 0.000 1.169 216 D CA 0.515 54.565 54.000 0.083 0.000 0.906 216 D CB 1.055 41.856 40.800 0.002 0.000 1.187 216 D HN 0.484 nan 8.370 nan 0.000 0.435 217 W N -0.350 121.030 121.300 0.134 0.000 3.213 217 W HA 0.596 5.256 4.660 -0.000 0.000 0.318 217 W C -1.940 174.633 176.519 0.090 0.000 1.248 217 W CA -0.934 56.529 57.345 0.197 0.000 1.187 217 W CB 0.315 29.997 29.460 0.370 0.000 1.403 217 W HN 0.113 nan 8.180 nan 0.000 0.556 218 I N 2.468 123.229 120.570 0.318 0.000 2.500 218 I HA 0.561 4.731 4.170 -0.000 0.000 0.286 218 I C -0.022 176.204 176.117 0.180 0.000 1.063 218 I CA -0.610 60.743 61.300 0.087 0.000 1.062 218 I CB 1.607 39.469 38.000 -0.230 0.000 1.223 218 I HN 0.588 nan 8.210 nan 0.000 0.435 219 A N 3.987 126.963 122.820 0.260 0.000 2.313 219 A HA 0.704 5.024 4.320 -0.000 0.000 0.323 219 A C 0.585 178.216 177.584 0.078 0.000 1.133 219 A CA -0.417 51.730 52.037 0.184 0.000 0.847 219 A CB 0.885 20.035 19.000 0.251 0.000 1.308 219 A HN 0.789 nan 8.150 nan 0.000 0.475 220 N N -2.094 116.620 118.700 0.023 0.000 2.747 220 N HA -0.161 4.579 4.740 -0.000 0.000 0.249 220 N C -0.382 175.143 175.510 0.026 0.000 1.107 220 N CA 1.246 54.299 53.050 0.005 0.000 0.707 220 N CB -1.637 36.866 38.487 0.027 0.000 1.054 220 N HN 1.619 nan 8.380 nan 0.000 0.555 221 V N -4.068 115.859 119.914 0.021 0.000 3.074 221 V HA 0.994 5.114 4.120 -0.000 0.000 0.314 221 V C -0.041 176.093 176.094 0.067 0.000 1.117 221 V CA -0.589 61.750 62.300 0.066 0.000 1.014 221 V CB 2.187 34.055 31.823 0.074 0.000 1.057 221 V HN 0.284 nan 8.190 nan 0.000 0.438 222 A N 2.009 124.899 122.820 0.116 0.000 2.277 222 A HA 0.732 5.052 4.320 -0.000 0.000 0.318 222 A C -0.321 177.324 177.584 0.101 0.000 1.339 222 A CA -0.594 51.492 52.037 0.081 0.000 0.875 222 A CB 0.636 19.669 19.000 0.055 0.000 1.158 222 A HN 1.275 nan 8.150 nan 0.000 0.514 223 V N 4.358 124.304 119.914 0.052 0.000 2.493 223 V HA 0.024 4.144 4.120 -0.000 0.000 0.292 223 V C 0.829 176.892 176.094 -0.053 0.000 1.016 223 V CA 0.496 62.790 62.300 -0.010 0.000 1.097 223 V CB 0.378 32.087 31.823 -0.191 0.000 0.947 223 V HN 0.921 nan 8.190 nan 0.000 0.479 224 K N 3.370 123.748 120.400 -0.037 0.000 2.350 224 K HA 0.476 4.796 4.320 -0.000 0.000 0.196 224 K C 0.419 176.972 176.600 -0.078 0.000 1.084 224 K CA 0.789 57.048 56.287 -0.047 0.000 0.967 224 K CB 0.979 33.464 32.500 -0.026 0.000 0.950 224 K HN 0.705 nan 8.250 nan 0.000 0.512 225 A N 1.090 123.849 122.820 -0.101 0.000 2.517 225 A HA 0.686 5.006 4.320 -0.000 0.000 0.297 225 A C -1.357 176.139 177.584 -0.146 0.000 1.050 225 A CA -0.659 51.313 52.037 -0.108 0.000 0.694 225 A CB 1.070 20.026 19.000 -0.073 0.000 1.277 225 A HN 0.096 nan 8.150 nan 0.000 0.400 226 I N 2.111 122.587 120.570 -0.156 0.000 2.420 226 I HA 0.337 4.506 4.170 -0.000 0.000 0.282 226 I C 0.035 176.093 176.117 -0.098 0.000 1.019 226 I CA 0.005 61.212 61.300 -0.156 0.000 1.130 226 I CB 1.675 39.541 38.000 -0.224 0.000 1.262 226 I HN 0.742 nan 8.210 nan 0.000 0.454 227 E N 6.712 126.871 120.200 -0.069 0.000 2.239 227 E HA 0.339 4.689 4.350 -0.000 0.000 0.261 227 E C -1.746 174.831 176.600 -0.039 0.000 1.016 227 E CA -1.725 54.645 56.400 -0.050 0.000 0.882 227 E CB 1.152 30.829 29.700 -0.038 0.000 1.190 227 E HN 0.278 nan 8.360 nan 0.000 0.415 228 P HA -0.128 nan 4.420 nan 0.000 0.225 228 P C -0.043 177.253 177.300 -0.006 0.000 1.148 228 P CA 1.200 64.287 63.100 -0.021 0.000 0.779 228 P CB 0.195 31.885 31.700 -0.018 0.000 0.780 229 D N -2.283 118.115 120.400 -0.003 0.000 2.525 229 D HA 0.054 4.694 4.640 -0.000 0.000 0.231 229 D C 0.327 176.636 176.300 0.016 0.000 1.216 229 D CA 0.090 54.096 54.000 0.009 0.000 0.813 229 D CB 0.194 40.998 40.800 0.006 0.000 1.108 229 D HN 0.223 nan 8.370 nan 0.000 0.524 230 K N -0.671 119.734 120.400 0.009 0.000 2.575 230 K HA 0.616 4.936 4.320 -0.000 0.000 0.279 230 K C -1.768 174.838 176.600 0.010 0.000 0.969 230 K CA -0.970 55.329 56.287 0.019 0.000 0.868 230 K CB 2.167 34.675 32.500 0.013 0.000 1.457 230 K HN -0.170 nan 8.250 nan 0.000 0.426 231 V N 2.447 122.385 119.914 0.039 0.000 2.540 231 V HA 0.477 4.597 4.120 -0.000 0.000 0.302 231 V C -0.605 175.531 176.094 0.070 0.000 1.035 231 V CA -0.744 61.571 62.300 0.025 0.000 0.873 231 V CB 1.431 33.295 31.823 0.069 0.000 0.992 231 V HN 0.638 nan 8.190 nan 0.000 0.428 232 I N 5.911 126.494 120.570 0.022 0.000 2.378 232 I HA 0.559 4.729 4.170 -0.000 0.000 0.291 232 I C -0.772 175.394 176.117 0.082 0.000 0.992 232 I CA -0.620 60.690 61.300 0.017 0.000 1.154 232 I CB 1.470 39.443 38.000 -0.044 0.000 1.315 232 I HN 0.759 nan 8.210 nan 0.000 0.448 233 Y N 3.068 123.380 120.300 0.020 0.000 2.634 233 Y HA 0.752 5.302 4.550 -0.000 0.000 0.340 233 Y C -0.966 174.986 175.900 0.087 0.000 1.058 233 Y CA -1.298 56.821 58.100 0.032 0.000 1.081 233 Y CB 1.212 39.694 38.460 0.037 0.000 1.295 233 Y HN 0.476 nan 8.280 nan 0.000 0.487 234 E N 1.557 121.885 120.200 0.213 0.000 2.234 234 E HA 0.270 4.620 4.350 -0.000 0.000 0.266 234 E C -1.553 175.187 176.600 0.234 0.000 0.877 234 E CA -0.941 55.542 56.400 0.137 0.000 0.758 234 E CB 1.449 31.183 29.700 0.058 0.000 1.170 234 E HN 0.812 nan 8.360 nan 0.000 0.415 235 D N 2.720 123.261 120.400 0.236 0.000 2.466 235 D HA 0.070 4.710 4.640 -0.000 0.000 0.262 235 D C 1.151 177.522 176.300 0.118 0.000 1.177 235 D CA -0.455 53.668 54.000 0.205 0.000 1.035 235 D CB 0.656 41.596 40.800 0.233 0.000 1.105 235 D HN 0.430 nan 8.370 nan 0.000 0.551 236 L N -0.549 120.729 121.223 0.091 0.000 2.275 236 L HA -0.066 4.274 4.340 -0.000 0.000 0.215 236 L C 1.476 178.375 176.870 0.048 0.000 1.119 236 L CA 0.989 55.864 54.840 0.058 0.000 0.790 236 L CB -0.646 41.440 42.059 0.046 0.000 0.919 236 L HN 0.420 nan 8.230 nan 0.000 0.443 237 N N -0.462 118.273 118.700 0.057 0.000 2.461 237 N HA 0.029 4.769 4.740 -0.000 0.000 0.188 237 N C 1.141 176.668 175.510 0.028 0.000 1.134 237 N CA 0.498 53.572 53.050 0.040 0.000 0.878 237 N CB 0.341 38.854 38.487 0.044 0.000 0.972 237 N HN 0.374 nan 8.380 nan 0.000 0.456 238 G N 0.733 109.553 108.800 0.034 0.000 2.136 238 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.242 238 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.242 238 G C -0.425 174.465 174.900 -0.017 0.000 0.989 238 G CA -0.441 44.666 45.100 0.011 0.000 0.682 238 G HN 0.289 nan 8.290 nan 0.000 0.522 239 N N 0.425 119.116 118.700 -0.014 0.000 2.518 239 N HA 0.445 5.185 4.740 -0.000 0.000 0.283 239 N C -0.016 175.350 175.510 -0.240 0.000 1.119 239 N CA 0.301 53.278 53.050 -0.122 0.000 0.983 239 N CB 1.498 39.911 38.487 -0.122 0.000 1.139 239 N HN 0.195 nan 8.380 nan 0.000 0.465 240 T N 1.014 115.345 114.554 -0.372 0.000 2.882 240 T HA 0.387 4.737 4.350 -0.000 0.000 0.287 240 T C -0.970 173.285 174.700 -0.742 0.000 0.992 240 T CA -0.190 61.672 62.100 -0.397 0.000 1.076 240 T CB 0.240 68.968 68.868 -0.233 0.000 0.961 240 T HN 0.490 nan 8.240 nan 0.000 0.490 241 H N 0.826 119.613 119.070 -0.470 0.000 2.985 241 H HA 0.579 5.135 4.556 -0.000 0.000 0.360 241 H C -0.691 174.378 175.328 -0.431 0.000 1.221 241 H CA -0.987 54.750 56.048 -0.517 0.000 1.121 241 H CB 1.466 30.729 29.762 -0.833 0.000 1.854 241 H HN 0.712 nan 8.280 nan 0.000 0.551 242 E N 0.386 120.545 120.200 -0.069 0.000 2.343 242 E HA 0.651 5.001 4.350 -0.000 0.000 0.270 242 E C -1.529 175.135 176.600 0.107 0.000 0.895 242 E CA -1.202 55.207 56.400 0.014 0.000 0.767 242 E CB 2.985 32.680 29.700 -0.009 0.000 1.248 242 E HN 0.278 nan 8.360 nan 0.000 0.440 243 V N 2.282 122.278 119.914 0.137 0.000 2.577 243 V HA 0.436 4.556 4.120 -0.000 0.000 0.303 243 V C -2.713 173.437 176.094 0.093 0.000 1.042 243 V CA -2.286 60.095 62.300 0.136 0.000 0.872 243 V CB 2.049 33.985 31.823 0.189 0.000 0.998 243 V HN 0.651 nan 8.190 nan 0.000 0.423 244 P HA 0.466 nan 4.420 nan 0.000 0.266 244 P C -1.083 176.258 177.300 0.068 0.000 1.195 244 P CA 0.121 63.255 63.100 0.057 0.000 0.768 244 P CB 0.846 32.574 31.700 0.047 0.000 0.838 245 A N 2.442 125.299 122.820 0.062 0.000 2.500 245 A HA 0.308 4.628 4.320 -0.000 0.000 0.288 245 A C 0.611 178.237 177.584 0.070 0.000 1.045 245 A CA -0.556 51.528 52.037 0.077 0.000 0.830 245 A CB 0.895 19.945 19.000 0.083 0.000 1.337 245 A HN 0.510 nan 8.150 nan 0.000 0.400 246 K N 1.826 122.283 120.400 0.095 0.000 2.211 246 K HA 0.251 4.571 4.320 -0.000 0.000 0.201 246 K C -0.190 176.510 176.600 0.166 0.000 1.052 246 K CA 0.861 57.210 56.287 0.103 0.000 0.973 246 K CB 0.150 32.706 32.500 0.094 0.000 0.766 246 K HN 0.609 nan 8.250 nan 0.000 0.466 247 F N 1.130 121.098 119.950 0.030 0.000 2.556 247 F HA 0.356 4.883 4.527 -0.000 0.000 0.314 247 F C -1.027 174.816 175.800 0.073 0.000 1.106 247 F CA -0.495 57.527 58.000 0.037 0.000 0.911 247 F CB 2.047 41.058 39.000 0.020 0.000 1.190 247 F HN 0.010 nan 8.300 nan 0.000 0.448 248 T N 4.577 118.691 114.554 -0.733 0.000 2.900 248 T HA 0.626 4.976 4.350 -0.000 0.000 0.303 248 T C -1.431 172.893 174.700 -0.625 0.000 1.142 248 T CA -0.848 61.010 62.100 -0.403 0.000 1.007 248 T CB 1.860 70.730 68.868 0.004 0.000 1.156 248 T HN 0.707 nan 8.240 nan 0.000 0.490 249 M N 3.066 122.487 119.600 -0.298 0.000 2.149 249 M HA 0.533 5.013 4.480 -0.000 0.000 0.273 249 M C -2.446 173.651 176.300 -0.338 0.000 0.972 249 M CA -0.833 54.283 55.300 -0.307 0.000 0.984 249 M CB 0.954 33.315 32.600 -0.398 0.000 1.699 249 M HN 0.841 nan 8.290 nan 0.000 0.462 250 F N 3.740 123.564 119.950 -0.210 0.000 2.522 250 F HA 0.590 5.117 4.527 -0.000 0.000 0.324 250 F C 0.401 176.098 175.800 -0.171 0.000 1.077 250 F CA -0.722 57.169 58.000 -0.181 0.000 0.944 250 F CB 1.829 40.741 39.000 -0.146 0.000 1.175 250 F HN 0.375 nan 8.300 nan 0.000 0.468 251 M N 4.822 124.390 119.600 -0.054 0.000 2.200 251 M HA 0.255 4.735 4.480 -0.000 0.000 0.355 251 M C -2.406 173.791 176.300 -0.172 0.000 1.283 251 M CA -1.861 53.352 55.300 -0.145 0.000 1.124 251 M CB 0.407 32.858 32.600 -0.249 0.000 1.625 251 M HN 0.193 nan 8.290 nan 0.000 0.463 252 P HA 0.256 nan 4.420 nan 0.000 0.278 252 P C -0.558 176.478 177.300 -0.441 0.000 1.258 252 P CA -0.460 62.406 63.100 -0.390 0.000 0.811 252 P CB 0.618 31.855 31.700 -0.772 0.000 1.063 253 S N -0.073 115.406 115.700 -0.368 0.000 2.669 253 S HA 0.603 5.073 4.470 -0.000 0.000 0.270 253 S C -0.465 174.032 174.600 -0.170 0.000 1.225 253 S CA -0.354 57.608 58.200 -0.398 0.000 0.991 253 S CB -0.038 63.027 63.200 -0.226 0.000 0.987 253 S HN 0.206 nan 8.310 nan 0.000 0.552 254 F N 0.871 120.742 119.950 -0.131 0.000 2.508 254 F HA 0.595 5.122 4.527 -0.000 0.000 0.325 254 F C 0.474 176.235 175.800 -0.065 0.000 1.090 254 F CA -1.082 56.858 58.000 -0.101 0.000 0.945 254 F CB 1.744 40.695 39.000 -0.082 0.000 1.156 254 F HN 0.880 nan 8.300 nan 0.000 0.463 255 Q N 0.646 120.534 119.800 0.148 0.000 2.892 255 Q HA 0.852 5.192 4.340 -0.000 0.000 0.307 255 Q C -0.528 175.498 176.000 0.043 0.000 1.039 255 Q CA -1.376 54.472 55.803 0.076 0.000 0.792 255 Q CB 1.893 30.657 28.738 0.044 0.000 1.504 255 Q HN 0.732 nan 8.270 nan 0.000 0.487 256 G N 0.514 109.331 108.800 0.029 0.000 2.528 256 G HA2 0.575 4.534 3.960 -0.000 0.000 0.289 256 G HA3 0.575 4.534 3.960 -0.000 0.000 0.289 256 G C -2.455 172.450 174.900 0.008 0.000 1.192 256 G CA -1.243 43.865 45.100 0.014 0.000 0.921 256 G HN 0.546 nan 8.290 nan 0.000 0.512 257 P HA 0.277 nan 4.420 nan 0.000 0.280 257 P C 0.236 177.540 177.300 0.006 0.000 1.272 257 P CA -0.474 62.628 63.100 0.002 0.000 0.819 257 P CB 1.739 33.437 31.700 -0.004 0.000 1.122 258 E N 0.189 120.394 120.200 0.007 0.000 2.274 258 E HA -0.073 4.277 4.350 -0.000 0.000 0.194 258 E C 1.660 178.263 176.600 0.004 0.000 0.996 258 E CA 0.640 57.044 56.400 0.007 0.000 0.840 258 E CB -0.694 29.011 29.700 0.009 0.000 0.772 258 E HN 0.183 nan 8.360 nan 0.000 0.491 259 V N 0.604 120.519 119.914 0.002 0.000 2.515 259 V HA -0.175 3.945 4.120 -0.000 0.000 0.250 259 V C 2.116 178.209 176.094 -0.002 0.000 1.058 259 V CA 1.105 63.405 62.300 0.000 0.000 1.064 259 V CB -0.035 31.788 31.823 -0.001 0.000 0.675 259 V HN 0.030 nan 8.190 nan 0.000 0.461 260 V N 0.440 120.354 119.914 -0.000 0.000 2.346 260 V HA -0.082 4.038 4.120 -0.000 0.000 0.244 260 V C 2.838 178.934 176.094 0.003 0.000 1.037 260 V CA 1.748 64.049 62.300 0.000 0.000 1.029 260 V CB -1.076 30.750 31.823 0.005 0.000 0.663 260 V HN 0.614 nan 8.190 nan 0.000 0.454 261 A N 0.943 123.766 122.820 0.006 0.000 1.986 261 A HA -0.248 4.072 4.320 -0.000 0.000 0.220 261 A C 2.526 180.113 177.584 0.005 0.000 1.171 261 A CA 2.333 54.374 52.037 0.008 0.000 0.640 261 A CB -0.793 18.213 19.000 0.009 0.000 0.811 261 A HN 0.707 nan 8.150 nan 0.000 0.451 262 S N -0.068 115.633 115.700 0.002 0.000 2.442 262 S HA 0.263 4.733 4.470 -0.000 0.000 0.236 262 S C 1.185 175.781 174.600 -0.007 0.000 1.007 262 S CA 0.753 58.952 58.200 -0.001 0.000 0.965 262 S CB -0.764 62.435 63.200 -0.002 0.000 0.773 262 S HN 0.976 nan 8.310 nan 0.000 0.504 263 A N 1.481 124.293 122.820 -0.013 0.000 2.251 263 A HA 0.662 4.982 4.320 -0.000 0.000 0.278 263 A C 1.000 178.584 177.584 0.001 0.000 1.206 263 A CA -0.178 51.842 52.037 -0.028 0.000 0.822 263 A CB -0.873 18.098 19.000 -0.049 0.000 1.187 263 A HN 0.639 nan 8.150 nan 0.000 0.504 264 G N -0.864 107.948 108.800 0.020 0.000 2.699 264 G HA2 0.302 4.262 3.960 -0.000 0.000 0.246 264 G HA3 0.302 4.262 3.960 -0.000 0.000 0.246 264 G C 0.244 175.179 174.900 0.059 0.000 1.219 264 G CA 0.444 45.584 45.100 0.067 0.000 0.866 264 G HN 0.792 nan 8.290 nan 0.000 0.572 265 D N -0.465 119.966 120.400 0.052 0.000 2.338 265 D HA -0.012 4.628 4.640 -0.000 0.000 0.239 265 D C 1.148 177.476 176.300 0.046 0.000 1.095 265 D CA 0.230 54.253 54.000 0.039 0.000 0.888 265 D CB 0.312 41.127 40.800 0.026 0.000 0.899 265 D HN 0.224 nan 8.370 nan 0.000 0.525 266 K N 0.037 120.485 120.400 0.080 0.000 2.361 266 K HA 0.136 4.456 4.320 -0.000 0.000 0.194 266 K C 1.635 178.299 176.600 0.106 0.000 1.032 266 K CA 0.113 56.453 56.287 0.087 0.000 1.048 266 K CB 1.004 33.575 32.500 0.118 0.000 0.842 266 K HN 0.154 nan 8.250 nan 0.000 0.526 267 V N 0.509 120.484 119.914 0.101 0.000 2.806 267 V HA 0.215 4.335 4.120 -0.000 0.000 0.239 267 V C 0.772 176.887 176.094 0.035 0.000 1.113 267 V CA 0.389 62.732 62.300 0.072 0.000 1.137 267 V CB 0.144 31.997 31.823 0.050 0.000 0.865 267 V HN 0.078 nan 8.190 nan 0.000 0.482 268 A N 1.838 124.676 122.820 0.030 0.000 2.309 268 A HA 0.347 4.667 4.320 -0.000 0.000 0.290 268 A C 0.227 177.821 177.584 0.018 0.000 1.206 268 A CA -0.167 51.882 52.037 0.020 0.000 0.850 268 A CB -0.206 18.805 19.000 0.017 0.000 1.118 268 A HN 0.369 nan 8.150 nan 0.000 0.523 269 N N 3.968 122.676 118.700 0.014 0.000 2.411 269 N HA 0.025 4.765 4.740 -0.000 0.000 0.261 269 N C -1.617 173.900 175.510 0.012 0.000 1.248 269 N CA -1.039 52.017 53.050 0.011 0.000 0.885 269 N CB 1.086 39.579 38.487 0.009 0.000 1.062 269 N HN 0.362 nan 8.380 nan 0.000 0.471 270 P HA 0.019 nan 4.420 nan 0.000 0.242 270 P C 0.264 177.570 177.300 0.010 0.000 1.197 270 P CA 0.479 63.585 63.100 0.010 0.000 0.765 270 P CB 0.302 32.007 31.700 0.009 0.000 0.936 271 A N 1.113 123.939 122.820 0.010 0.000 1.993 271 A HA 0.036 4.356 4.320 -0.000 0.000 0.207 271 A C 1.553 179.145 177.584 0.013 0.000 1.224 271 A CA 0.901 52.944 52.037 0.010 0.000 0.749 271 A CB -0.480 18.526 19.000 0.009 0.000 0.884 271 A HN 0.337 nan 8.150 nan 0.000 0.467 272 N N -2.748 115.962 118.700 0.017 0.000 2.118 272 N HA 0.127 4.867 4.740 -0.000 0.000 0.226 272 N C 0.203 175.727 175.510 0.024 0.000 1.305 272 N CA 0.432 53.495 53.050 0.022 0.000 0.890 272 N CB 0.207 38.712 38.487 0.029 0.000 1.118 272 N HN 0.271 nan 8.380 nan 0.000 0.511 273 K N -0.826 119.586 120.400 0.019 0.000 3.529 273 K HA -0.182 4.138 4.320 -0.000 0.000 0.313 273 K C -0.441 176.171 176.600 0.019 0.000 1.316 273 K CA 1.034 57.332 56.287 0.018 0.000 0.988 273 K CB -1.405 31.105 32.500 0.017 0.000 1.252 273 K HN 0.375 nan 8.250 nan 0.000 0.438 274 M N 0.813 120.427 119.600 0.023 0.000 2.202 274 M HA 0.134 4.614 4.480 -0.000 0.000 0.316 274 M C 0.616 176.928 176.300 0.021 0.000 1.138 274 M CA -0.356 54.960 55.300 0.026 0.000 1.151 274 M CB 0.776 33.399 32.600 0.037 0.000 1.422 274 M HN -0.179 nan 8.290 nan 0.000 0.471 275 V N 2.927 122.857 119.914 0.026 0.000 2.479 275 V HA 0.092 4.212 4.120 -0.000 0.000 0.281 275 V C 0.270 176.365 176.094 0.003 0.000 1.031 275 V CA -0.127 62.186 62.300 0.021 0.000 1.038 275 V CB -0.237 31.608 31.823 0.037 0.000 0.981 275 V HN 0.559 nan 8.190 nan 0.000 0.478 276 I N 6.632 127.199 120.570 -0.005 0.000 2.505 276 I HA 0.216 4.386 4.170 -0.000 0.000 0.287 276 I C 0.188 176.271 176.117 -0.057 0.000 1.104 276 I CA 0.370 61.653 61.300 -0.029 0.000 1.387 276 I CB 0.370 38.361 38.000 -0.015 0.000 1.404 276 I HN 0.570 nan 8.210 nan 0.000 0.528 277 V N 2.999 122.844 119.914 -0.115 0.000 3.126 277 V HA 0.660 4.780 4.120 -0.000 0.000 0.314 277 V C -0.463 175.502 176.094 -0.215 0.000 1.138 277 V CA -0.948 61.247 62.300 -0.175 0.000 1.034 277 V CB 1.853 33.518 31.823 -0.263 0.000 1.075 277 V HN 0.760 nan 8.190 nan 0.000 0.442 278 N N 1.036 119.619 118.700 -0.195 0.000 2.717 278 N HA 0.431 5.171 4.740 -0.000 0.000 0.314 278 N C 0.731 176.125 175.510 -0.193 0.000 1.324 278 N CA -0.668 52.289 53.050 -0.156 0.000 0.902 278 N CB 0.281 38.721 38.487 -0.079 0.000 1.126 278 N HN 0.580 nan 8.380 nan 0.000 0.579 279 R N -1.124 119.335 120.500 -0.070 0.000 2.120 279 R HA 0.045 4.385 4.340 -0.000 0.000 0.234 279 R C 0.775 177.175 176.300 0.166 0.000 1.123 279 R CA 1.407 57.516 56.100 0.016 0.000 0.975 279 R CB -0.598 29.729 30.300 0.045 0.000 0.866 279 R HN 0.529 nan 8.270 nan 0.000 0.446 280 c N -0.086 118.615 118.600 0.169 0.000 2.625 280 c HA 0.240 4.810 4.570 -0.000 0.000 0.285 280 c C -0.114 174.250 174.090 0.456 0.000 1.279 280 c CA -0.664 55.845 56.329 0.301 0.000 1.698 280 c CB -1.514 41.135 42.510 0.232 0.000 1.821 280 c HN 0.534 nan 8.230 nan 0.000 0.600 281 F N 0.658 120.698 119.950 0.150 0.000 3.074 281 F HA -0.197 4.330 4.527 -0.000 0.000 0.289 281 F C 0.597 176.512 175.800 0.190 0.000 0.863 281 F CA 1.163 59.263 58.000 0.166 0.000 1.121 281 F CB -1.577 37.527 39.000 0.174 0.000 1.169 281 F HN 0.481 nan 8.300 nan 0.000 0.570 282 Q N 0.617 120.463 119.800 0.078 0.000 2.312 282 Q HA 0.399 4.739 4.340 -0.000 0.000 0.263 282 Q C 0.004 175.874 176.000 -0.216 0.000 0.995 282 Q CA -1.007 54.622 55.803 -0.290 0.000 0.853 282 Q CB 1.478 30.025 28.738 -0.318 0.000 1.300 282 Q HN 0.255 nan 8.270 nan 0.000 0.448 283 N N 3.858 122.413 118.700 -0.242 0.000 2.454 283 N HA 0.053 4.793 4.740 -0.000 0.000 0.260 283 N C -1.991 173.456 175.510 -0.104 0.000 1.218 283 N CA -0.966 52.017 53.050 -0.112 0.000 0.904 283 N CB 1.070 39.541 38.487 -0.027 0.000 1.065 283 N HN 0.396 nan 8.380 nan 0.000 0.462 284 P HA -0.096 nan 4.420 nan 0.000 0.219 284 P C 0.837 178.077 177.300 -0.101 0.000 1.150 284 P CA 1.308 64.360 63.100 -0.080 0.000 0.814 284 P CB 0.136 31.796 31.700 -0.067 0.000 0.787 285 T N -5.070 109.408 114.554 -0.126 0.000 3.021 285 T HA 0.006 4.356 4.350 -0.000 0.000 0.245 285 T C 0.507 174.975 174.700 -0.386 0.000 1.028 285 T CA 0.321 62.261 62.100 -0.267 0.000 1.139 285 T CB -0.887 67.772 68.868 -0.348 0.000 0.884 285 T HN -0.071 nan 8.240 nan 0.000 0.457 286 Y N 2.083 122.358 120.300 -0.040 0.000 2.594 286 Y HA 0.511 5.061 4.550 -0.000 0.000 0.342 286 Y C 1.304 177.160 175.900 -0.073 0.000 1.010 286 Y CA -0.960 57.122 58.100 -0.030 0.000 1.270 286 Y CB 0.989 39.450 38.460 0.002 0.000 1.125 286 Y HN 0.042 nan 8.280 nan 0.000 0.513 287 K N 1.346 121.766 120.400 0.033 0.000 2.486 287 K HA -0.080 4.239 4.320 -0.000 0.000 0.194 287 K C 0.969 177.551 176.600 -0.031 0.000 1.033 287 K CA 0.602 56.861 56.287 -0.046 0.000 1.004 287 K CB 0.133 32.633 32.500 0.001 0.000 0.798 287 K HN 0.630 nan 8.250 nan 0.000 0.495 288 N N 0.593 119.356 118.700 0.105 0.000 2.268 288 N HA 0.023 4.763 4.740 -0.000 0.000 0.204 288 N C -0.083 175.585 175.510 0.263 0.000 1.124 288 N CA 0.051 53.273 53.050 0.288 0.000 0.838 288 N CB 0.199 38.779 38.487 0.156 0.000 0.994 288 N HN 0.058 nan 8.380 nan 0.000 0.489 289 I N 0.780 121.349 120.570 -0.002 0.000 2.404 289 I HA 0.391 4.561 4.170 -0.000 0.000 0.293 289 I C -0.880 175.092 176.117 -0.243 0.000 0.992 289 I CA -0.808 60.481 61.300 -0.019 0.000 1.149 289 I CB 0.868 38.868 38.000 -0.000 0.000 1.315 289 I HN -0.229 nan 8.210 nan 0.000 0.446 290 F N 2.761 122.748 119.950 0.062 0.000 2.593 290 F HA 0.761 5.288 4.527 -0.000 0.000 0.320 290 F C 0.574 176.422 175.800 0.081 0.000 1.060 290 F CA -0.768 57.288 58.000 0.092 0.000 0.940 290 F CB 2.143 41.203 39.000 0.100 0.000 1.268 290 F HN 0.345 nan 8.300 nan 0.000 0.475 291 G N 0.486 109.477 108.800 0.319 0.000 2.542 291 G HA2 0.657 4.617 3.960 -0.000 0.000 0.311 291 G HA3 0.657 4.617 3.960 -0.000 0.000 0.311 291 G C -2.143 172.941 174.900 0.306 0.000 1.298 291 G CA -0.842 44.407 45.100 0.249 0.000 0.973 291 G HN 0.506 nan 8.290 nan 0.000 0.487 292 V N 1.210 121.233 119.914 0.181 0.000 2.623 292 V HA 0.909 5.029 4.120 -0.000 0.000 0.304 292 V C 0.740 176.877 176.094 0.072 0.000 1.054 292 V CA 0.678 63.040 62.300 0.103 0.000 0.882 292 V CB 0.885 32.729 31.823 0.035 0.000 1.002 292 V HN 2.011 nan 8.190 nan 0.000 0.424 293 G N 3.368 112.201 108.800 0.054 0.000 2.512 293 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.210 293 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.210 293 G C 0.481 175.414 174.900 0.055 0.000 1.295 293 G CA -0.186 44.933 45.100 0.032 0.000 0.934 293 G HN 0.961 nan 8.290 nan 0.000 0.554 294 V N 0.194 120.114 119.914 0.010 0.000 2.568 294 V HA -0.134 3.986 4.120 -0.000 0.000 0.253 294 V C 2.926 179.032 176.094 0.020 0.000 1.072 294 V CA 2.289 64.591 62.300 0.002 0.000 1.084 294 V CB -0.407 31.350 31.823 -0.110 0.000 0.676 294 V HN 1.037 nan 8.190 nan 0.000 0.469 295 V N 0.771 120.696 119.914 0.018 0.000 3.141 295 V HA -0.043 4.077 4.120 -0.000 0.000 0.265 295 V C 1.412 177.543 176.094 0.062 0.000 1.126 295 V CA 1.350 63.666 62.300 0.026 0.000 1.141 295 V CB -0.610 31.222 31.823 0.016 0.000 0.743 295 V HN 0.810 nan 8.190 nan 0.000 0.492 296 T N -0.043 114.575 114.554 0.107 0.000 2.913 296 T HA 0.596 4.946 4.350 -0.000 0.000 0.297 296 T C -0.026 174.722 174.700 0.080 0.000 1.029 296 T CA -0.036 62.137 62.100 0.122 0.000 1.104 296 T CB 1.526 70.550 68.868 0.260 0.000 0.964 296 T HN 0.443 nan 8.240 nan 0.000 0.532 297 A N 3.957 126.795 122.820 0.030 0.000 2.316 297 A HA 0.624 4.944 4.320 -0.000 0.000 0.311 297 A C 0.026 177.606 177.584 -0.007 0.000 1.339 297 A CA -0.865 51.182 52.037 0.017 0.000 0.960 297 A CB -0.500 18.501 19.000 0.003 0.000 1.152 297 A HN 0.885 nan 8.150 nan 0.000 0.547 298 I N 3.977 124.563 120.570 0.027 0.000 2.406 298 I HA 0.319 4.488 4.170 -0.000 0.000 0.290 298 I C -2.229 173.906 176.117 0.030 0.000 0.999 298 I CA -2.205 59.109 61.300 0.024 0.000 1.124 298 I CB 2.143 40.188 38.000 0.076 0.000 1.289 298 I HN 0.422 nan 8.210 nan 0.000 0.441 299 P HA 0.176 nan 4.420 nan 0.000 0.269 299 P C -2.467 174.855 177.300 0.035 0.000 1.209 299 P CA -0.786 62.326 63.100 0.021 0.000 0.776 299 P CB -0.288 31.418 31.700 0.011 0.000 0.876 300 P HA 0.091 nan 4.420 nan 0.000 0.267 300 P C 0.863 178.191 177.300 0.046 0.000 1.200 300 P CA 0.175 63.306 63.100 0.051 0.000 0.772 300 P CB 0.357 32.087 31.700 0.050 0.000 0.855 301 I N 0.592 121.193 120.570 0.052 0.000 2.252 301 I HA -0.145 4.025 4.170 -0.000 0.000 0.245 301 I C 1.244 177.387 176.117 0.044 0.000 1.102 301 I CA 1.462 62.785 61.300 0.038 0.000 1.385 301 I CB -0.119 37.894 38.000 0.021 0.000 1.064 301 I HN 0.510 nan 8.210 nan 0.000 0.414 302 E N 0.623 120.862 120.200 0.065 0.000 2.383 302 E HA 0.275 4.625 4.350 -0.000 0.000 0.275 302 E C -0.784 175.845 176.600 0.049 0.000 0.918 302 E CA -0.983 55.453 56.400 0.061 0.000 0.764 302 E CB 1.497 31.247 29.700 0.084 0.000 1.252 302 E HN -0.094 nan 8.360 nan 0.000 0.449 303 K N 2.269 122.686 120.400 0.029 0.000 2.273 303 K HA 0.148 4.468 4.320 -0.000 0.000 0.287 303 K C -0.605 175.992 176.600 -0.006 0.000 1.089 303 K CA -0.111 56.184 56.287 0.013 0.000 0.909 303 K CB 0.474 32.981 32.500 0.011 0.000 1.123 303 K HN 0.657 nan 8.250 nan 0.000 0.473 304 T N 1.891 116.425 114.554 -0.034 0.000 2.928 304 T HA 0.283 4.633 4.350 -0.000 0.000 0.284 304 T C -1.750 172.915 174.700 -0.058 0.000 1.008 304 T CA -1.909 60.140 62.100 -0.085 0.000 1.057 304 T CB 1.336 70.079 68.868 -0.208 0.000 1.018 304 T HN 0.321 nan 8.240 nan 0.000 0.493 305 P HA -0.017 nan 4.420 nan 0.000 0.216 305 P C 0.240 177.527 177.300 -0.022 0.000 1.157 305 P CA 0.957 64.041 63.100 -0.028 0.000 0.880 305 P CB -0.007 31.680 31.700 -0.022 0.000 0.791 306 I N -0.453 120.096 120.570 -0.035 0.000 2.331 306 I HA 0.254 4.424 4.170 -0.000 0.000 0.292 306 I C -2.348 173.756 176.117 -0.022 0.000 0.998 306 I CA -3.807 57.482 61.300 -0.018 0.000 1.267 306 I CB 0.396 38.391 38.000 -0.008 0.000 1.386 306 I HN -0.227 nan 8.210 nan 0.000 0.476 307 P HA 0.105 nan 4.420 nan 0.000 0.264 307 P C -0.342 176.972 177.300 0.024 0.000 1.183 307 P CA 0.522 63.623 63.100 0.002 0.000 0.763 307 P CB 0.567 32.268 31.700 0.002 0.000 0.807 308 T N 1.321 115.899 114.554 0.040 0.000 2.932 308 T HA 0.645 4.994 4.350 -0.000 0.000 0.318 308 T C -0.383 174.383 174.700 0.111 0.000 1.265 308 T CA -0.487 61.681 62.100 0.112 0.000 1.036 308 T CB 1.635 70.553 68.868 0.084 0.000 1.209 308 T HN 0.430 nan 8.240 nan 0.000 0.484 309 G N 0.213 109.099 108.800 0.144 0.000 2.816 309 G HA2 0.680 4.640 3.960 -0.000 0.000 0.288 309 G HA3 0.680 4.640 3.960 -0.000 0.000 0.288 309 G C -1.199 173.787 174.900 0.144 0.000 1.334 309 G CA -0.533 44.629 45.100 0.104 0.000 0.978 309 G HN 0.697 nan 8.290 nan 0.000 0.493 310 V N 2.056 122.034 119.914 0.108 0.000 2.465 310 V HA 0.572 4.692 4.120 -0.000 0.000 0.279 310 V C -1.833 174.324 176.094 0.105 0.000 1.045 310 V CA -1.880 60.484 62.300 0.107 0.000 0.938 310 V CB 1.623 33.496 31.823 0.083 0.000 0.986 310 V HN 0.616 nan 8.190 nan 0.000 0.467 311 P HA 0.367 nan 4.420 nan 0.000 0.277 311 P C -1.602 175.739 177.300 0.070 0.000 1.240 311 P CA -0.646 62.507 63.100 0.087 0.000 0.798 311 P CB 0.816 32.556 31.700 0.067 0.000 0.979 312 K N 0.798 121.240 120.400 0.069 0.000 2.464 312 K HA 0.366 4.686 4.320 -0.000 0.000 0.252 312 K C 0.357 176.958 176.600 0.000 0.000 1.000 312 K CA -0.384 55.928 56.287 0.042 0.000 0.951 312 K CB 0.609 33.143 32.500 0.057 0.000 1.183 312 K HN 0.455 nan 8.250 nan 0.000 0.445 313 T N -1.587 112.952 114.554 -0.026 0.000 2.847 313 T HA 0.308 4.658 4.350 -0.000 0.000 0.279 313 T C 1.546 176.206 174.700 -0.067 0.000 0.984 313 T CA -0.381 61.680 62.100 -0.064 0.000 0.988 313 T CB 1.525 70.341 68.868 -0.087 0.000 1.040 313 T HN 0.453 nan 8.240 nan 0.000 0.528 314 G N 0.454 109.193 108.800 -0.101 0.000 2.513 314 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.219 314 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.219 314 G C 1.421 176.308 174.900 -0.021 0.000 1.160 314 G CA 1.270 46.318 45.100 -0.086 0.000 0.767 314 G HN 0.815 nan 8.290 nan 0.000 0.571 315 M N -0.310 119.273 119.600 -0.029 0.000 2.132 315 M HA 0.071 4.551 4.480 -0.000 0.000 0.263 315 M C 2.647 178.953 176.300 0.010 0.000 1.065 315 M CA 1.328 56.638 55.300 0.016 0.000 1.122 315 M CB -0.131 32.475 32.600 0.011 0.000 1.365 315 M HN 0.266 nan 8.290 nan 0.000 0.411 316 M N 0.032 119.623 119.600 -0.015 0.000 2.080 316 M HA -0.248 4.232 4.480 -0.000 0.000 0.260 316 M C 1.984 178.246 176.300 -0.064 0.000 1.068 316 M CA 1.796 57.078 55.300 -0.030 0.000 1.109 316 M CB -0.599 31.988 32.600 -0.022 0.000 1.342 316 M HN 0.334 nan 8.290 nan 0.000 0.405 317 I N -0.199 120.344 120.570 -0.046 0.000 2.315 317 I HA -0.243 3.926 4.170 -0.000 0.000 0.248 317 I C 2.158 178.250 176.117 -0.042 0.000 1.117 317 I CA 1.295 62.561 61.300 -0.056 0.000 1.404 317 I CB -0.485 37.501 38.000 -0.023 0.000 1.071 317 I HN 0.333 nan 8.210 nan 0.000 0.419 318 E N 0.573 120.779 120.200 0.011 0.000 2.110 318 E HA -0.270 4.080 4.350 -0.000 0.000 0.193 318 E C 2.191 178.787 176.600 -0.007 0.000 0.988 318 E CA 1.150 57.572 56.400 0.036 0.000 0.804 318 E CB -0.090 29.676 29.700 0.111 0.000 0.745 318 E HN 0.596 nan 8.360 nan 0.000 0.458 319 Q N -0.073 119.711 119.800 -0.027 0.000 2.137 319 Q HA -0.040 4.300 4.340 -0.000 0.000 0.198 319 Q C 2.158 178.093 176.000 -0.109 0.000 0.960 319 Q CA 0.882 56.661 55.803 -0.041 0.000 0.847 319 Q CB -0.013 28.713 28.738 -0.019 0.000 0.915 319 Q HN 0.304 nan 8.270 nan 0.000 0.448 320 M N 0.344 119.813 119.600 -0.218 0.000 2.108 320 M HA -0.212 4.268 4.480 -0.000 0.000 0.261 320 M C 2.382 178.569 176.300 -0.189 0.000 1.066 320 M CA 1.652 56.721 55.300 -0.385 0.000 1.107 320 M CB -0.391 31.876 32.600 -0.556 0.000 1.356 320 M HN 0.272 nan 8.290 nan 0.000 0.406 321 A N 0.247 122.995 122.820 -0.119 0.000 1.877 321 A HA -0.175 4.145 4.320 -0.000 0.000 0.216 321 A C 2.141 179.683 177.584 -0.070 0.000 1.186 321 A CA 1.695 53.684 52.037 -0.080 0.000 0.620 321 A CB -0.631 18.332 19.000 -0.061 0.000 0.822 321 A HN 0.465 nan 8.150 nan 0.000 0.443 322 M N -0.559 119.015 119.600 -0.043 0.000 2.080 322 M HA -0.182 4.298 4.480 -0.000 0.000 0.260 322 M C 2.575 178.906 176.300 0.053 0.000 1.068 322 M CA 1.607 56.909 55.300 0.003 0.000 1.109 322 M CB -0.495 32.121 32.600 0.027 0.000 1.342 322 M HN 0.491 nan 8.290 nan 0.000 0.405 323 A N -0.217 122.620 122.820 0.028 0.000 1.877 323 A HA -0.100 4.219 4.320 -0.000 0.000 0.216 323 A C 2.244 179.881 177.584 0.088 0.000 1.186 323 A CA 1.629 53.722 52.037 0.093 0.000 0.620 323 A CB -0.991 18.077 19.000 0.113 0.000 0.822 323 A HN 0.300 nan 8.150 nan 0.000 0.443 324 V N -0.140 119.774 119.914 0.000 0.000 2.343 324 V HA -0.238 3.882 4.120 -0.000 0.000 0.247 324 V C 3.071 178.982 176.094 -0.306 0.000 1.051 324 V CA 1.907 64.118 62.300 -0.148 0.000 1.036 324 V CB -1.212 30.547 31.823 -0.106 0.000 0.654 324 V HN 0.622 nan 8.190 nan 0.000 0.451 325 A N -0.792 121.900 122.820 -0.213 0.000 1.883 325 A HA -0.300 4.020 4.320 -0.000 0.000 0.217 325 A C 2.002 179.426 177.584 -0.267 0.000 1.186 325 A CA 2.371 54.251 52.037 -0.262 0.000 0.624 325 A CB -0.876 17.978 19.000 -0.244 0.000 0.822 325 A HN 0.704 nan 8.150 nan 0.000 0.444 326 H N -0.537 118.446 119.070 -0.144 0.000 2.389 326 H HA -0.045 4.511 4.556 -0.000 0.000 0.299 326 H C 2.097 177.424 175.328 -0.001 0.000 1.081 326 H CA 1.770 57.764 56.048 -0.089 0.000 1.345 326 H CB -0.127 29.530 29.762 -0.175 0.000 1.393 326 H HN 0.651 nan 8.280 nan 0.000 0.520 327 N N -0.068 118.695 118.700 0.106 0.000 2.188 327 N HA -0.112 4.628 4.740 -0.000 0.000 0.184 327 N C 1.500 176.969 175.510 -0.067 0.000 1.018 327 N CA 1.011 54.119 53.050 0.097 0.000 0.858 327 N CB 0.089 38.685 38.487 0.181 0.000 0.989 327 N HN 0.245 nan 8.380 nan 0.000 0.426 328 I N 0.530 120.882 120.570 -0.363 0.000 2.142 328 I HA -0.232 3.938 4.170 -0.000 0.000 0.240 328 I C 2.127 178.022 176.117 -0.371 0.000 1.078 328 I CA 0.910 61.881 61.300 -0.548 0.000 1.343 328 I CB -0.298 37.256 38.000 -0.743 0.000 1.046 328 I HN -0.015 nan 8.210 nan 0.000 0.405 329 V N 1.279 121.052 119.914 -0.235 0.000 2.287 329 V HA -0.298 3.822 4.120 -0.000 0.000 0.248 329 V C 2.125 178.203 176.094 -0.027 0.000 1.053 329 V CA 2.128 64.352 62.300 -0.128 0.000 1.027 329 V CB -0.858 30.892 31.823 -0.121 0.000 0.646 329 V HN 0.441 nan 8.190 nan 0.000 0.447 330 N N 0.077 118.798 118.700 0.035 0.000 2.166 330 N HA -0.172 4.568 4.740 -0.000 0.000 0.186 330 N C 1.588 177.147 175.510 0.082 0.000 1.019 330 N CA 1.635 54.738 53.050 0.089 0.000 0.856 330 N CB -0.451 38.126 38.487 0.149 0.000 0.993 330 N HN 0.634 nan 8.380 nan 0.000 0.426 331 D N 0.167 120.614 120.400 0.078 0.000 2.117 331 D HA -0.014 4.626 4.640 -0.000 0.000 0.197 331 D C 1.822 178.213 176.300 0.150 0.000 0.987 331 D CA 0.743 54.827 54.000 0.140 0.000 0.829 331 D CB -0.003 40.936 40.800 0.233 0.000 0.961 331 D HN 0.214 nan 8.370 nan 0.000 0.460 332 I N -0.108 120.525 120.570 0.105 0.000 2.286 332 I HA -0.168 4.002 4.170 -0.000 0.000 0.248 332 I C 1.856 178.028 176.117 0.092 0.000 1.115 332 I CA 0.962 62.337 61.300 0.125 0.000 1.392 332 I CB -0.201 37.845 38.000 0.077 0.000 1.065 332 I HN -0.035 nan 8.210 nan 0.000 0.418 333 R N 1.194 121.736 120.500 0.070 0.000 2.356 333 R HA 0.113 4.453 4.340 -0.000 0.000 0.234 333 R C -0.054 176.285 176.300 0.064 0.000 0.929 333 R CA -0.055 56.081 56.100 0.061 0.000 1.084 333 R CB -0.167 30.165 30.300 0.053 0.000 1.105 333 R HN 0.319 nan 8.270 nan 0.000 0.515 334 N N 1.672 120.417 118.700 0.074 0.000 2.721 334 N HA -0.214 4.526 4.740 -0.000 0.000 0.249 334 N C -0.926 174.621 175.510 0.060 0.000 1.072 334 N CA 0.816 53.907 53.050 0.068 0.000 0.710 334 N CB -1.078 37.443 38.487 0.058 0.000 0.993 334 N HN 0.327 nan 8.380 nan 0.000 0.547 335 N N 1.161 119.901 118.700 0.067 0.000 2.437 335 N HA 0.233 4.973 4.740 -0.000 0.000 0.259 335 N C -1.185 174.359 175.510 0.056 0.000 0.983 335 N CA -1.726 51.361 53.050 0.061 0.000 0.937 335 N CB 1.262 39.794 38.487 0.075 0.000 1.122 335 N HN -0.013 nan 8.380 nan 0.000 0.499 336 P HA -0.020 nan 4.420 nan 0.000 0.223 336 P C -0.518 176.779 177.300 -0.005 0.000 1.151 336 P CA 0.523 63.637 63.100 0.023 0.000 0.787 336 P CB 0.260 31.968 31.700 0.012 0.000 0.788 337 D N 1.483 121.866 120.400 -0.028 0.000 2.525 337 D HA 0.088 4.728 4.640 -0.000 0.000 0.235 337 D C 0.629 176.827 176.300 -0.169 0.000 1.137 337 D CA 0.961 54.882 54.000 -0.132 0.000 0.868 337 D CB 0.518 41.238 40.800 -0.134 0.000 1.180 337 D HN 0.036 nan 8.370 nan 0.000 0.465 338 K N 1.716 121.928 120.400 -0.313 0.000 2.435 338 K HA 0.436 4.756 4.320 -0.000 0.000 0.251 338 K C -1.072 175.267 176.600 -0.435 0.000 0.954 338 K CA -0.790 55.375 56.287 -0.204 0.000 0.820 338 K CB 1.913 34.393 32.500 -0.033 0.000 1.292 338 K HN 0.347 nan 8.250 nan 0.000 0.436 339 Y N -0.496 119.853 120.300 0.081 0.000 2.462 339 Y HA 0.539 5.088 4.550 -0.000 0.000 0.346 339 Y C -0.109 175.855 175.900 0.107 0.000 0.976 339 Y CA -0.905 57.233 58.100 0.064 0.000 1.044 339 Y CB 2.341 40.816 38.460 0.025 0.000 1.230 339 Y HN 0.633 nan 8.280 nan 0.000 0.455 340 A N 4.294 127.266 122.820 0.254 0.000 2.337 340 A HA 0.794 5.114 4.320 -0.000 0.000 0.329 340 A C -2.851 174.844 177.584 0.184 0.000 1.146 340 A CA -2.092 50.082 52.037 0.229 0.000 0.800 340 A CB 0.973 20.083 19.000 0.183 0.000 1.220 340 A HN 0.413 nan 8.150 nan 0.000 0.472 341 P HA 0.210 nan 4.420 nan 0.000 0.274 341 P C 0.199 177.549 177.300 0.085 0.000 1.231 341 P CA -0.260 62.875 63.100 0.058 0.000 0.790 341 P CB 1.190 32.837 31.700 -0.087 0.000 0.951 342 R N 2.612 123.154 120.500 0.070 0.000 2.115 342 R HA 0.009 4.349 4.340 -0.000 0.000 0.226 342 R C 0.658 176.995 176.300 0.061 0.000 1.100 342 R CA 0.881 57.028 56.100 0.078 0.000 0.980 342 R CB -1.144 29.212 30.300 0.092 0.000 0.875 342 R HN 0.299 nan 8.270 nan 0.000 0.445 343 L N 1.342 122.589 121.223 0.040 0.000 3.717 343 L HA -0.206 4.134 4.340 -0.000 0.000 0.411 343 L C -0.344 176.534 176.870 0.013 0.000 1.233 343 L CA 1.281 56.137 54.840 0.027 0.000 0.917 343 L CB -2.944 39.150 42.059 0.059 0.000 1.902 343 L HN 0.488 nan 8.230 nan 0.000 0.894 344 S N -1.571 114.144 115.700 0.024 0.000 2.645 344 S HA 0.899 5.369 4.470 -0.000 0.000 0.266 344 S C 0.283 174.893 174.600 0.016 0.000 1.258 344 S CA -0.073 58.129 58.200 0.003 0.000 0.990 344 S CB 2.490 65.736 63.200 0.076 0.000 0.967 344 S HN 1.408 nan 8.310 nan 0.000 0.556 345 A N 0.620 123.437 122.820 -0.004 0.000 2.547 345 A HA 0.693 5.012 4.320 -0.000 0.000 0.297 345 A C -1.060 176.581 177.584 0.095 0.000 1.056 345 A CA -0.829 51.218 52.037 0.016 0.000 0.688 345 A CB 0.913 19.880 19.000 -0.054 0.000 1.282 345 A HN 0.815 nan 8.150 nan 0.000 0.400 346 I N 1.279 121.870 120.570 0.034 0.000 2.355 346 I HA 0.386 4.556 4.170 -0.000 0.000 0.288 346 I C -0.723 175.253 176.117 -0.234 0.000 0.999 346 I CA -0.332 60.902 61.300 -0.111 0.000 1.163 346 I CB 1.440 39.346 38.000 -0.157 0.000 1.316 346 I HN 0.579 nan 8.210 nan 0.000 0.454 347 C N 7.327 126.461 119.300 -0.277 0.000 2.408 347 C HA 0.599 5.059 4.460 -0.000 0.000 0.321 347 C C -0.040 174.820 174.990 -0.216 0.000 1.245 347 C CA -0.533 58.352 59.018 -0.221 0.000 1.523 347 C CB 1.030 28.656 27.740 -0.189 0.000 2.178 347 C HN 0.559 nan 8.230 nan 0.000 0.488 348 I N 3.850 124.321 120.570 -0.165 0.000 2.362 348 I HA 0.474 4.644 4.170 -0.000 0.000 0.289 348 I C 0.378 176.439 176.117 -0.093 0.000 0.994 348 I CA -0.071 61.150 61.300 -0.132 0.000 1.158 348 I CB 1.335 39.286 38.000 -0.081 0.000 1.315 348 I HN 0.718 nan 8.210 nan 0.000 0.451 349 A N 4.743 127.492 122.820 -0.119 0.000 2.260 349 A HA 0.368 4.688 4.320 -0.000 0.000 0.312 349 A C -0.568 176.722 177.584 -0.490 0.000 1.321 349 A CA -0.431 51.525 52.037 -0.135 0.000 0.928 349 A CB 0.314 19.360 19.000 0.076 0.000 1.158 349 A HN 0.649 nan 8.150 nan 0.000 0.542 350 D N 1.932 122.195 120.400 -0.230 0.000 2.264 350 D HA 0.453 5.093 4.640 -0.000 0.000 0.250 350 D C -0.189 176.031 176.300 -0.133 0.000 1.113 350 D CA -0.203 53.669 54.000 -0.213 0.000 0.871 350 D CB 0.377 41.274 40.800 0.161 0.000 1.167 350 D HN 0.324 nan 8.370 nan 0.000 0.447 351 F N 1.324 121.276 119.950 0.002 0.000 2.678 351 F HA 0.378 4.905 4.527 -0.000 0.000 0.305 351 F C 1.783 177.498 175.800 -0.141 0.000 1.090 351 F CA 0.050 58.040 58.000 -0.016 0.000 1.272 351 F CB 0.439 39.441 39.000 0.004 0.000 1.060 351 F HN 0.596 nan 8.300 nan 0.000 0.576 352 G N 0.335 109.028 108.800 -0.179 0.000 2.475 352 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.198 352 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.198 352 G C 0.941 175.144 174.900 -1.161 0.000 2.226 352 G CA 0.019 44.688 45.100 -0.718 0.000 1.626 352 G HN 0.226 nan 8.290 nan 0.000 0.534 353 E N 1.067 120.669 120.200 -0.997 0.000 2.490 353 E HA 0.247 4.597 4.350 -0.000 0.000 0.209 353 E C -0.206 176.111 176.600 -0.471 0.000 0.971 353 E CA 0.578 56.516 56.400 -0.771 0.000 0.988 353 E CB 0.651 30.154 29.700 -0.330 0.000 1.029 353 E HN 0.604 nan 8.360 nan 0.000 0.496 354 D N -0.587 119.634 120.400 -0.299 0.000 2.592 354 D HA 0.643 5.283 4.640 -0.000 0.000 0.263 354 D C -0.809 175.373 176.300 -0.196 0.000 1.132 354 D CA -1.121 52.797 54.000 -0.137 0.000 0.996 354 D CB 1.317 42.123 40.800 0.010 0.000 1.442 354 D HN -0.063 nan 8.370 nan 0.000 0.486 355 A N -0.948 121.673 122.820 -0.332 0.000 2.609 355 A HA 0.776 5.096 4.320 -0.000 0.000 0.291 355 A C -0.489 176.719 177.584 -0.626 0.000 1.096 355 A CA -0.489 51.097 52.037 -0.751 0.000 0.684 355 A CB 1.532 20.233 19.000 -0.497 0.000 1.282 355 A HN 0.815 nan 8.150 nan 0.000 0.412 356 G N -0.399 107.956 108.800 -0.741 0.000 2.343 356 G HA2 0.551 4.511 3.960 -0.000 0.000 0.319 356 G HA3 0.551 4.511 3.960 -0.000 0.000 0.319 356 G C -1.105 173.501 174.900 -0.490 0.000 1.126 356 G CA -0.307 44.532 45.100 -0.435 0.000 0.889 356 G HN 0.824 nan 8.290 nan 0.000 0.457 357 F N 3.069 122.603 119.950 -0.693 0.000 2.388 357 F HA 0.705 5.232 4.527 -0.000 0.000 0.358 357 F C -1.279 174.172 175.800 -0.581 0.000 1.122 357 F CA -1.421 56.280 58.000 -0.498 0.000 1.056 357 F CB 0.955 39.773 39.000 -0.304 0.000 1.155 357 F HN 0.282 nan 8.300 nan 0.000 0.461 358 F N 7.552 127.187 119.950 -0.524 0.000 2.477 358 F HA 0.390 4.917 4.527 -0.000 0.000 0.335 358 F C -0.955 174.593 175.800 -0.420 0.000 1.130 358 F CA -0.987 56.816 58.000 -0.327 0.000 0.948 358 F CB 1.480 40.335 39.000 -0.241 0.000 1.154 358 F HN 0.360 nan 8.300 nan 0.000 0.439 359 F N 3.045 122.875 119.950 -0.200 0.000 2.493 359 F HA 0.839 5.366 4.527 -0.000 0.000 0.329 359 F C -1.001 174.792 175.800 -0.012 0.000 1.126 359 F CA -0.666 57.247 58.000 -0.146 0.000 0.937 359 F CB 1.088 40.061 39.000 -0.045 0.000 1.146 359 F HN 0.545 nan 8.300 nan 0.000 0.442 360 A N 4.684 127.105 122.820 -0.665 0.000 2.375 360 A HA 0.514 4.834 4.320 -0.000 0.000 0.295 360 A C -1.980 175.191 177.584 -0.688 0.000 1.066 360 A CA -0.539 51.141 52.037 -0.593 0.000 0.722 360 A CB 1.287 20.135 19.000 -0.254 0.000 1.206 360 A HN 0.681 nan 8.150 nan 0.000 0.435 361 D N 3.488 123.518 120.400 -0.617 0.000 2.473 361 D HA 0.584 5.224 4.640 -0.000 0.000 0.253 361 D C -2.881 173.335 176.300 -0.139 0.000 1.233 361 D CA -1.457 52.342 54.000 -0.336 0.000 0.908 361 D CB 2.233 42.867 40.800 -0.276 0.000 1.170 361 D HN 0.209 nan 8.370 nan 0.000 0.558 362 P HA 0.092 nan 4.420 nan 0.000 0.276 362 P C 1.069 178.314 177.300 -0.092 0.000 1.261 362 P CA -0.664 62.397 63.100 -0.066 0.000 0.800 362 P CB 1.069 32.763 31.700 -0.009 0.000 1.066 363 V N 0.605 120.474 119.914 -0.075 0.000 2.287 363 V HA -0.182 3.938 4.120 -0.000 0.000 0.248 363 V C 1.283 177.351 176.094 -0.043 0.000 1.053 363 V CA 1.609 63.867 62.300 -0.070 0.000 1.027 363 V CB -0.886 30.908 31.823 -0.048 0.000 0.646 363 V HN 0.424 nan 8.190 nan 0.000 0.447 364 I N 2.161 122.723 120.570 -0.013 0.000 2.379 364 I HA 0.190 4.360 4.170 -0.000 0.000 0.290 364 I C -2.156 173.957 176.117 -0.007 0.000 1.063 364 I CA -1.693 59.607 61.300 0.000 0.000 1.351 364 I CB 0.595 38.611 38.000 0.027 0.000 1.410 364 I HN 0.142 nan 8.210 nan 0.000 0.505 365 P HA 0.116 nan 4.420 nan 0.000 0.271 365 P C -2.311 174.988 177.300 -0.001 0.000 1.233 365 P CA -0.859 62.234 63.100 -0.013 0.000 0.789 365 P CB -0.355 31.337 31.700 -0.015 0.000 0.951 366 P HA 0.192 nan 4.420 nan 0.000 0.271 366 P C -0.540 176.753 177.300 -0.011 0.000 1.218 366 P CA 0.048 63.145 63.100 -0.005 0.000 0.780 366 P CB 0.888 32.589 31.700 0.001 0.000 0.901 367 R N 1.337 121.825 120.500 -0.019 0.000 2.540 367 R HA 0.197 4.537 4.340 -0.000 0.000 0.287 367 R C 0.961 177.250 176.300 -0.018 0.000 0.980 367 R CA -0.567 55.513 56.100 -0.034 0.000 0.966 367 R CB 1.077 31.341 30.300 -0.060 0.000 1.106 367 R HN 0.447 nan 8.270 nan 0.000 0.480 368 E N 1.686 121.877 120.200 -0.016 0.000 2.112 368 E HA -0.074 4.276 4.350 -0.000 0.000 0.190 368 E C -0.041 176.569 176.600 0.016 0.000 0.979 368 E CA 1.095 57.502 56.400 0.012 0.000 0.814 368 E CB 0.407 30.128 29.700 0.036 0.000 0.762 368 E HN 0.515 nan 8.360 nan 0.000 0.460 369 R N -1.774 118.716 120.500 -0.017 0.000 2.709 369 R HA 0.425 4.765 4.340 -0.000 0.000 0.270 369 R C -1.572 174.677 176.300 -0.085 0.000 1.038 369 R CA -0.521 55.582 56.100 0.005 0.000 0.872 369 R CB 0.830 31.191 30.300 0.101 0.000 1.259 369 R HN -0.037 nan 8.270 nan 0.000 0.473 370 V N -0.962 118.952 119.914 -0.001 0.000 3.078 370 V HA 0.813 4.933 4.120 -0.000 0.000 0.311 370 V C -0.741 175.460 176.094 0.178 0.000 1.138 370 V CA -0.993 61.310 62.300 0.004 0.000 1.007 370 V CB 2.191 34.016 31.823 0.003 0.000 1.045 370 V HN 0.804 nan 8.190 nan 0.000 0.432 371 I N 2.223 122.953 120.570 0.267 0.000 2.571 371 I HA 0.604 4.774 4.170 -0.000 0.000 0.289 371 I C -0.561 175.715 176.117 0.264 0.000 1.115 371 I CA -0.360 61.126 61.300 0.309 0.000 1.045 371 I CB 2.550 40.824 38.000 0.456 0.000 1.238 371 I HN 0.960 nan 8.210 nan 0.000 0.424 372 T N 2.409 117.072 114.554 0.182 0.000 2.815 372 T HA 0.662 5.012 4.350 -0.000 0.000 0.289 372 T C -0.672 174.050 174.700 0.037 0.000 1.000 372 T CA -0.776 61.358 62.100 0.057 0.000 0.958 372 T CB 1.376 70.317 68.868 0.121 0.000 0.944 372 T HN 0.539 nan 8.240 nan 0.000 0.442 373 K N 2.661 123.056 120.400 -0.009 0.000 2.480 373 K HA 0.730 5.050 4.320 -0.000 0.000 0.258 373 K C -1.323 175.243 176.600 -0.056 0.000 0.990 373 K CA -1.050 55.280 56.287 0.072 0.000 0.857 373 K CB 2.902 35.564 32.500 0.270 0.000 1.384 373 K HN 0.604 nan 8.250 nan 0.000 0.446 374 M N 0.929 120.532 119.600 0.004 0.000 2.322 374 M HA 0.525 5.005 4.480 -0.000 0.000 0.286 374 M C -1.395 174.875 176.300 -0.050 0.000 1.111 374 M CA -0.216 55.043 55.300 -0.068 0.000 0.941 374 M CB 2.245 34.869 32.600 0.040 0.000 1.671 374 M HN 0.869 nan 8.290 nan 0.000 0.470 375 G N 2.517 111.169 108.800 -0.248 0.000 2.349 375 G HA2 0.200 4.160 3.960 -0.000 0.000 0.294 375 G HA3 0.200 4.160 3.960 -0.000 0.000 0.294 375 G C -0.692 174.045 174.900 -0.272 0.000 1.380 375 G CA -0.653 44.348 45.100 -0.165 0.000 0.811 375 G HN 0.734 nan 8.290 nan 0.000 0.519 376 K N -0.345 120.046 120.400 -0.016 0.000 2.097 376 K HA -0.051 4.269 4.320 -0.000 0.000 0.206 376 K C 2.269 178.988 176.600 0.198 0.000 1.049 376 K CA 2.067 58.415 56.287 0.102 0.000 0.933 376 K CB -0.107 32.556 32.500 0.273 0.000 0.717 376 K HN 0.698 nan 8.250 nan 0.000 0.442 377 W N 0.993 122.446 121.300 0.255 0.000 2.325 377 W HA -0.144 4.515 4.660 -0.000 0.000 0.299 377 W C 1.633 178.314 176.519 0.270 0.000 1.215 377 W CA 0.997 58.508 57.345 0.276 0.000 1.244 377 W CB -0.810 28.733 29.460 0.139 0.000 1.140 377 W HN -0.013 nan 8.180 nan 0.000 0.523 378 A N 0.966 123.322 122.820 -0.772 0.000 1.968 378 A HA -0.244 4.076 4.320 -0.000 0.000 0.217 378 A C 2.182 179.654 177.584 -0.185 0.000 1.169 378 A CA 1.640 53.244 52.037 -0.721 0.000 0.638 378 A CB -1.522 16.745 19.000 -1.221 0.000 0.812 378 A HN 0.613 nan 8.150 nan 0.000 0.446 379 H N -1.695 117.198 119.070 -0.294 0.000 2.357 379 H HA -0.183 4.373 4.556 -0.000 0.000 0.301 379 H C 1.724 176.930 175.328 -0.203 0.000 1.082 379 H CA 2.090 57.963 56.048 -0.293 0.000 1.342 379 H CB -0.177 29.306 29.762 -0.465 0.000 1.389 379 H HN 0.551 nan 8.280 nan 0.000 0.511 380 Y N -0.549 119.647 120.300 -0.174 0.000 2.352 380 Y HA -0.125 4.425 4.550 -0.000 0.000 0.292 380 Y C 2.570 178.447 175.900 -0.039 0.000 1.136 380 Y CA 0.887 58.881 58.100 -0.176 0.000 1.227 380 Y CB -0.734 37.702 38.460 -0.039 0.000 0.991 380 Y HN 0.171 nan 8.280 nan 0.000 0.545 381 F N 0.722 120.737 119.950 0.109 0.000 2.146 381 F HA -0.185 4.342 4.527 -0.000 0.000 0.298 381 F C 2.474 178.352 175.800 0.130 0.000 1.096 381 F CA 1.481 59.568 58.000 0.144 0.000 1.275 381 F CB -0.050 39.075 39.000 0.208 0.000 1.008 381 F HN -0.104 nan 8.300 nan 0.000 0.480 382 K N -0.499 120.079 120.400 0.297 0.000 2.057 382 K HA -0.147 4.173 4.320 -0.000 0.000 0.206 382 K C 1.864 178.581 176.600 0.195 0.000 1.050 382 K CA 1.862 58.295 56.287 0.244 0.000 0.935 382 K CB -0.248 32.338 32.500 0.144 0.000 0.715 382 K HN 0.151 nan 8.250 nan 0.000 0.439 383 T N 0.713 115.293 114.554 0.042 0.000 2.746 383 T HA -0.125 4.225 4.350 -0.000 0.000 0.267 383 T C 1.852 176.582 174.700 0.050 0.000 1.039 383 T CA 1.287 63.392 62.100 0.008 0.000 1.142 383 T CB -0.273 68.538 68.868 -0.094 0.000 0.866 383 T HN 0.387 nan 8.240 nan 0.000 0.444 384 A N 0.819 123.671 122.820 0.053 0.000 1.902 384 A HA -0.004 4.316 4.320 -0.000 0.000 0.217 384 A C 2.014 179.665 177.584 0.111 0.000 1.181 384 A CA 1.206 53.250 52.037 0.012 0.000 0.623 384 A CB -0.956 17.966 19.000 -0.130 0.000 0.818 384 A HN 0.481 nan 8.150 nan 0.000 0.443 385 F N 0.611 120.643 119.950 0.137 0.000 2.186 385 F HA -0.103 4.424 4.527 -0.000 0.000 0.299 385 F C 2.181 178.088 175.800 0.179 0.000 1.090 385 F CA 1.842 60.001 58.000 0.266 0.000 1.307 385 F CB -0.129 39.086 39.000 0.358 0.000 1.019 385 F HN 0.455 nan 8.300 nan 0.000 0.489 386 E N 0.384 120.691 120.200 0.178 0.000 2.065 386 E HA -0.284 4.066 4.350 -0.000 0.000 0.201 386 E C 2.081 178.492 176.600 -0.314 0.000 1.016 386 E CA 1.822 58.090 56.400 -0.220 0.000 0.818 386 E CB -0.023 29.658 29.700 -0.031 0.000 0.749 386 E HN 0.233 nan 8.360 nan 0.000 0.453 387 K N -0.149 120.182 120.400 -0.114 0.000 2.097 387 K HA -0.185 4.135 4.320 -0.000 0.000 0.206 387 K C 2.144 178.727 176.600 -0.030 0.000 1.049 387 K CA 1.241 57.489 56.287 -0.065 0.000 0.933 387 K CB -0.701 31.785 32.500 -0.024 0.000 0.717 387 K HN 0.362 nan 8.250 nan 0.000 0.442 388 Y N 0.638 120.817 120.300 -0.201 0.000 2.163 388 Y HA -0.168 4.382 4.550 -0.000 0.000 0.288 388 Y C 2.164 177.959 175.900 -0.175 0.000 1.136 388 Y CA 1.016 58.995 58.100 -0.203 0.000 1.147 388 Y CB -0.611 37.675 38.460 -0.291 0.000 0.987 388 Y HN -0.024 nan 8.280 nan 0.000 0.509 389 F N -0.229 119.290 119.950 -0.719 0.000 2.146 389 F HA -0.186 4.341 4.527 -0.000 0.000 0.298 389 F C 1.981 177.548 175.800 -0.388 0.000 1.096 389 F CA 1.152 58.753 58.000 -0.665 0.000 1.275 389 F CB -0.379 38.329 39.000 -0.488 0.000 1.008 389 F HN 0.060 nan 8.300 nan 0.000 0.480 390 L N -0.911 120.221 121.223 -0.151 0.000 2.083 390 L HA -0.244 4.096 4.340 -0.000 0.000 0.209 390 L C 2.084 178.885 176.870 -0.115 0.000 1.083 390 L CA 1.691 56.485 54.840 -0.077 0.000 0.752 390 L CB -1.930 40.100 42.059 -0.049 0.000 0.899 390 L HN 0.509 nan 8.230 nan 0.000 0.433 391 W N 1.186 122.330 121.300 -0.260 0.000 2.358 391 W HA -0.230 4.430 4.660 -0.000 0.000 0.303 391 W C 2.554 178.905 176.519 -0.280 0.000 1.208 391 W CA 1.737 58.954 57.345 -0.213 0.000 1.274 391 W CB 0.006 29.372 29.460 -0.156 0.000 1.138 391 W HN 0.013 nan 8.180 nan 0.000 0.515 392 K N -0.259 119.935 120.400 -0.343 0.000 2.057 392 K HA -0.190 4.130 4.320 -0.000 0.000 0.207 392 K C 1.810 178.074 176.600 -0.560 0.000 1.049 392 K CA 1.936 57.883 56.287 -0.566 0.000 0.931 392 K CB -0.853 31.238 32.500 -0.683 0.000 0.714 392 K HN 0.103 nan 8.250 nan 0.000 0.440 393 V N 1.583 121.156 119.914 -0.568 0.000 2.255 393 V HA -0.273 3.847 4.120 -0.000 0.000 0.247 393 V C 2.181 178.170 176.094 -0.176 0.000 1.051 393 V CA 1.782 63.836 62.300 -0.411 0.000 1.018 393 V CB -0.496 30.994 31.823 -0.556 0.000 0.641 393 V HN 0.309 nan 8.190 nan 0.000 0.445 394 R N 0.113 120.465 120.500 -0.246 0.000 2.237 394 R HA -0.069 4.271 4.340 -0.000 0.000 0.219 394 R C 1.218 177.392 176.300 -0.210 0.000 1.080 394 R CA 1.352 57.351 56.100 -0.169 0.000 0.995 394 R CB -0.249 29.942 30.300 -0.182 0.000 0.875 394 R HN 0.579 nan 8.270 nan 0.000 0.462 395 N N -1.156 117.225 118.700 -0.531 0.000 2.187 395 N HA 0.118 4.857 4.740 -0.000 0.000 0.212 395 N C 0.235 175.272 175.510 -0.788 0.000 1.152 395 N CA 0.499 53.158 53.050 -0.651 0.000 0.872 395 N CB 1.769 39.486 38.487 -1.284 0.000 1.025 395 N HN 0.222 nan 8.380 nan 0.000 0.514 396 G N 0.978 109.094 108.800 -1.141 0.000 2.143 396 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.248 396 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.248 396 G C -0.264 173.910 174.900 -1.209 0.000 0.991 396 G CA -0.086 43.711 45.100 -2.171 0.000 0.689 396 G HN 0.405 nan 8.290 nan 0.000 0.522 397 N N -0.181 118.167 118.700 -0.586 0.000 2.629 397 N HA 0.334 5.074 4.740 -0.000 0.000 0.277 397 N C 0.953 176.352 175.510 -0.186 0.000 1.188 397 N CA -0.802 52.074 53.050 -0.290 0.000 0.835 397 N CB 0.583 38.928 38.487 -0.236 0.000 1.420 397 N HN -0.087 nan 8.380 nan 0.000 0.542 398 I N 0.733 121.236 120.570 -0.112 0.000 3.428 398 I HA 0.159 4.329 4.170 -0.000 0.000 0.286 398 I C 0.818 176.857 176.117 -0.130 0.000 1.287 398 I CA 0.493 61.657 61.300 -0.226 0.000 1.396 398 I CB -0.734 37.105 38.000 -0.269 0.000 1.062 398 I HN 0.527 nan 8.210 nan 0.000 0.471 399 A N 2.899 125.665 122.820 -0.089 0.000 3.355 399 A HA 0.486 4.806 4.320 -0.000 0.000 0.290 399 A C -2.426 175.117 177.584 -0.068 0.000 0.973 399 A CA -0.904 51.096 52.037 -0.061 0.000 0.933 399 A CB -0.271 18.706 19.000 -0.039 0.000 1.138 399 A HN -0.056 nan 8.150 nan 0.000 0.490 400 P HA 0.079 nan 4.420 nan 0.000 0.271 400 P C 1.178 178.402 177.300 -0.127 0.000 1.216 400 P CA 0.386 63.460 63.100 -0.043 0.000 0.776 400 P CB 1.269 33.011 31.700 0.070 0.000 0.881 401 S N 2.821 118.525 115.700 0.008 0.000 2.400 401 S HA -0.236 4.234 4.470 -0.000 0.000 0.232 401 S C 1.756 176.369 174.600 0.022 0.000 1.025 401 S CA 1.225 59.437 58.200 0.019 0.000 0.993 401 S CB -1.553 61.688 63.200 0.067 0.000 0.808 401 S HN 0.559 nan 8.310 nan 0.000 0.478 402 F N 2.003 121.987 119.950 0.058 0.000 2.216 402 F HA 0.147 4.674 4.527 -0.000 0.000 0.300 402 F C 2.251 178.091 175.800 0.066 0.000 1.085 402 F CA 1.106 59.136 58.000 0.050 0.000 1.326 402 F CB -0.695 38.327 39.000 0.037 0.000 1.027 402 F HN 0.251 nan 8.300 nan 0.000 0.497 403 E N 0.675 120.371 120.200 -0.839 0.000 2.077 403 E HA -0.267 4.083 4.350 -0.000 0.000 0.193 403 E C 2.244 178.765 176.600 -0.131 0.000 0.989 403 E CA 1.321 57.416 56.400 -0.509 0.000 0.800 403 E CB -0.275 29.145 29.700 -0.466 0.000 0.746 403 E HN 0.716 nan 8.360 nan 0.000 0.452 404 E N 0.546 120.685 120.200 -0.102 0.000 2.038 404 E HA -0.242 4.108 4.350 -0.000 0.000 0.195 404 E C 2.005 178.596 176.600 -0.015 0.000 1.000 404 E CA 1.431 57.811 56.400 -0.034 0.000 0.803 404 E CB 0.100 29.787 29.700 -0.021 0.000 0.750 404 E HN 0.105 nan 8.360 nan 0.000 0.448 405 K N -0.143 120.263 120.400 0.011 0.000 2.063 405 K HA -0.147 4.173 4.320 -0.000 0.000 0.208 405 K C 2.099 178.732 176.600 0.055 0.000 1.048 405 K CA 1.434 57.740 56.287 0.032 0.000 0.928 405 K CB -0.046 32.494 32.500 0.065 0.000 0.713 405 K HN 0.042 nan 8.250 nan 0.000 0.442 406 V N 0.997 120.978 119.914 0.111 0.000 2.358 406 V HA -0.203 3.917 4.120 -0.000 0.000 0.246 406 V C 2.030 178.253 176.094 0.214 0.000 1.047 406 V CA 1.276 63.701 62.300 0.209 0.000 1.035 406 V CB -0.330 31.654 31.823 0.268 0.000 0.658 406 V HN 0.207 nan 8.190 nan 0.000 0.452 407 L N 0.344 121.632 121.223 0.109 0.000 2.083 407 L HA -0.157 4.183 4.340 -0.000 0.000 0.209 407 L C 2.510 179.387 176.870 0.011 0.000 1.083 407 L CA 2.140 57.019 54.840 0.065 0.000 0.752 407 L CB -1.165 40.914 42.059 0.033 0.000 0.899 407 L HN 0.542 nan 8.230 nan 0.000 0.433 408 E N 0.577 120.751 120.200 -0.043 0.000 2.051 408 E HA -0.203 4.147 4.350 -0.000 0.000 0.192 408 E C 2.134 178.683 176.600 -0.086 0.000 0.991 408 E CA 1.916 58.238 56.400 -0.131 0.000 0.799 408 E CB -0.393 29.206 29.700 -0.169 0.000 0.748 408 E HN 0.563 nan 8.360 nan 0.000 0.449 409 I N -2.425 118.101 120.570 -0.073 0.000 2.617 409 I HA -0.013 4.157 4.170 -0.000 0.000 0.256 409 I C 1.544 177.491 176.117 -0.284 0.000 1.167 409 I CA 0.951 62.142 61.300 -0.182 0.000 1.469 409 I CB -0.382 37.474 38.000 -0.240 0.000 1.098 409 I HN -0.047 nan 8.210 nan 0.000 0.436 410 F N 0.891 120.808 119.950 -0.055 0.000 2.317 410 F HA 0.188 4.715 4.527 -0.000 0.000 0.290 410 F C 1.794 177.530 175.800 -0.107 0.000 1.075 410 F CA 0.776 58.731 58.000 -0.075 0.000 1.380 410 F CB 0.139 39.095 39.000 -0.072 0.000 1.093 410 F HN -0.031 nan 8.300 nan 0.000 0.524 411 L N -0.397 120.850 121.223 0.040 0.000 2.966 411 L HA 0.206 4.546 4.340 -0.000 0.000 0.262 411 L C 0.397 177.284 176.870 0.027 0.000 1.165 411 L CA 0.330 55.121 54.840 -0.082 0.000 0.978 411 L CB -0.778 41.047 42.059 -0.390 0.000 1.337 411 L HN 0.121 nan 8.230 nan 0.000 0.563 412 K N -0.449 119.957 120.400 0.010 0.000 3.088 412 K HA -0.153 4.167 4.320 -0.000 0.000 0.273 412 K C 0.134 176.740 176.600 0.009 0.000 1.111 412 K CA 0.177 56.474 56.287 0.017 0.000 0.803 412 K CB -1.880 30.674 32.500 0.091 0.000 1.226 412 K HN 0.044 nan 8.250 nan 0.000 0.485 413 V N 1.428 121.320 119.914 -0.037 0.000 2.498 413 V HA 0.155 4.275 4.120 -0.000 0.000 0.279 413 V C 0.197 176.165 176.094 -0.209 0.000 1.048 413 V CA -0.284 62.026 62.300 0.017 0.000 0.967 413 V CB 0.953 32.833 31.823 0.096 0.000 0.988 413 V HN 0.185 nan 8.190 nan 0.000 0.473 414 H N 6.089 125.209 119.070 0.082 0.000 2.505 414 H HA 0.375 4.931 4.556 -0.000 0.000 0.338 414 H C -1.713 173.647 175.328 0.052 0.000 1.057 414 H CA -1.772 54.309 56.048 0.056 0.000 1.202 414 H CB 1.610 31.401 29.762 0.047 0.000 1.466 414 H HN 0.363 nan 8.280 nan 0.000 0.499 415 P HA -0.050 nan 4.420 nan 0.000 0.220 415 P C 0.015 177.357 177.300 0.070 0.000 1.152 415 P CA 1.028 64.175 63.100 0.080 0.000 0.812 415 P CB 0.988 32.715 31.700 0.045 0.000 0.792 416 I N -4.375 116.236 120.570 0.068 0.000 2.994 416 I HA 0.582 4.752 4.170 -0.000 0.000 0.306 416 I C -1.239 174.948 176.117 0.116 0.000 1.195 416 I CA -1.321 60.020 61.300 0.069 0.000 1.001 416 I CB 2.893 40.884 38.000 -0.014 0.000 1.244 416 I HN -0.326 nan 8.210 nan 0.000 0.437 417 E N 3.090 123.397 120.200 0.179 0.000 2.272 417 E HA 0.392 4.742 4.350 -0.000 0.000 0.269 417 E C -1.440 175.294 176.600 0.223 0.000 0.877 417 E CA -1.102 55.400 56.400 0.170 0.000 0.755 417 E CB 3.263 33.019 29.700 0.093 0.000 1.192 417 E HN 0.537 nan 8.360 nan 0.000 0.422 418 L N 2.314 123.616 121.223 0.133 0.000 2.513 418 L HA 0.039 4.379 4.340 -0.000 0.000 0.272 418 L C -0.769 176.037 176.870 -0.106 0.000 1.187 418 L CA 0.173 54.919 54.840 -0.156 0.000 0.895 418 L CB 0.234 42.206 42.059 -0.145 0.000 1.147 418 L HN 0.652 nan 8.230 nan 0.000 0.483 419 c N 6.559 125.067 118.600 -0.152 0.000 2.301 419 c HA 0.370 4.940 4.570 -0.000 0.000 0.323 419 c C 1.333 175.382 174.090 -0.069 0.000 1.265 419 c CA -0.767 55.526 56.329 -0.061 0.000 1.503 419 c CB 0.107 42.616 42.510 -0.002 0.000 2.195 419 c HN 1.054 nan 8.230 nan 0.000 0.477 420 K N 2.125 122.498 120.400 -0.045 0.000 2.486 420 K HA 0.098 4.418 4.320 -0.000 0.000 0.194 420 K C -0.242 176.345 176.600 -0.022 0.000 1.033 420 K CA 0.878 57.142 56.287 -0.037 0.000 1.004 420 K CB 0.196 32.679 32.500 -0.028 0.000 0.798 420 K HN 0.607 nan 8.250 nan 0.000 0.495 421 D N -0.351 120.041 120.400 -0.013 0.000 2.333 421 D HA 0.126 4.766 4.640 -0.000 0.000 0.225 421 D C -0.263 176.039 176.300 0.003 0.000 1.345 421 D CA -0.755 53.242 54.000 -0.005 0.000 0.971 421 D CB 0.525 41.322 40.800 -0.006 0.000 1.451 421 D HN 0.106 nan 8.370 nan 0.000 0.561 422 c N 2.309 120.914 118.600 0.008 0.000 2.500 422 c HA 0.105 4.675 4.570 -0.000 0.000 0.273 422 c C 1.274 175.363 174.090 -0.001 0.000 1.428 422 c CA -0.125 56.215 56.329 0.018 0.000 1.766 422 c CB -1.020 41.511 42.510 0.035 0.000 1.817 422 c HN 0.556 nan 8.230 nan 0.000 0.543 423 E N 1.018 121.213 120.200 -0.008 0.000 1.795 423 E HA 0.409 4.759 4.350 -0.000 0.000 0.261 423 E C 0.554 177.142 176.600 -0.019 0.000 1.238 423 E CA -0.046 56.343 56.400 -0.018 0.000 1.001 423 E CB -0.441 29.248 29.700 -0.017 0.000 1.065 423 E HN 0.651 nan 8.360 nan 0.000 0.418 424 G N 1.492 110.275 108.800 -0.028 0.000 2.322 424 G HA2 0.411 4.371 3.960 -0.000 0.000 0.295 424 G HA3 0.411 4.371 3.960 -0.000 0.000 0.295 424 G C -1.154 173.719 174.900 -0.046 0.000 1.369 424 G CA -0.447 44.636 45.100 -0.029 0.000 0.821 424 G HN 0.461 nan 8.290 nan 0.000 0.536 425 A N 1.026 123.821 122.820 -0.042 0.000 2.498 425 A HA 0.620 4.940 4.320 -0.000 0.000 0.239 425 A C -1.759 175.778 177.584 -0.080 0.000 1.068 425 A CA -0.548 51.454 52.037 -0.059 0.000 0.766 425 A CB -0.312 18.667 19.000 -0.035 0.000 1.003 425 A HN 0.494 nan 8.150 nan 0.000 0.497 426 P HA 0.201 nan 4.420 nan 0.000 0.268 426 P C 0.898 178.181 177.300 -0.028 0.000 1.204 426 P CA 1.446 64.413 63.100 -0.221 0.000 0.768 426 P CB 0.837 32.230 31.700 -0.511 0.000 0.842 427 G N 1.928 110.779 108.800 0.086 0.000 2.199 427 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.254 427 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.254 427 G C 0.318 175.257 174.900 0.066 0.000 0.982 427 G CA 0.366 45.533 45.100 0.112 0.000 0.632 427 G HN 0.876 nan 8.290 nan 0.000 0.529 428 S N -0.396 115.328 115.700 0.040 0.000 2.632 428 S HA 0.776 5.246 4.470 -0.000 0.000 0.271 428 S C 0.127 174.749 174.600 0.036 0.000 1.260 428 S CA -0.533 57.684 58.200 0.028 0.000 1.010 428 S CB 1.863 65.070 63.200 0.011 0.000 0.965 428 S HN 0.390 nan 8.310 nan 0.000 0.534 429 R N 0.909 121.426 120.500 0.028 0.000 2.265 429 R HA 0.434 4.774 4.340 -0.000 0.000 0.314 429 R C -0.026 176.287 176.300 0.022 0.000 1.053 429 R CA -0.418 55.700 56.100 0.029 0.000 0.931 429 R CB -0.305 30.009 30.300 0.024 0.000 1.024 429 R HN 0.792 nan 8.270 nan 0.000 0.457 430 c N 0.000 118.615 118.600 0.025 0.000 2.653 430 c HA 0.000 4.570 4.570 -0.000 0.000 0.325 430 c CA 0.000 56.338 56.329 0.016 0.000 1.963 430 c CB 0.000 42.519 42.510 0.015 0.000 2.134 430 c HN 0.000 nan 8.230 nan 0.000 0.568