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 2fuq_1_A DATA FIRST_RESID 27 DATA SEQUENCE TKADVVWKDV DGVSMPIPPK THPRLYLREQ QVPDLKNRMN DPKLKKVWAD DATA SEQUENCE MIKMQEDWKP ADIPEVKDFR FYFNQKGLTV RVELMALNYL MTKDPKVGRE DATA SEQUENCE AITSIIDTLE TATFKPAGDI SRGIGLFMVT GAIVYDWCYD QLKPEEKTRF DATA SEQUENCE VKAFVRLAKM LECGYPPVKD KSIVGHASEW MIMRDLLSVG IAIYDEFPEM DATA SEQUENCE YNLAAGRFFK EHLVARNWFY PSHNYHQGMS YLNVRFTNDL FALWILDRMG DATA SEQUENCE AGNVFNPGQQ FILYDAIYKR RPDGQILAGG DVDYSRKKPK YYTMPALLAG DATA SEQUENCE SYYKDEYLNY EFLKDPNVEP HCKLFEFLWR DTQLGSRKPD DLPLSRYSGS DATA SEQUENCE PFGWMIARTG WGPESVIAEM KVNEYSFLNH QHQDAGAFQI YYKGPLAIDA DATA SEQUENCE GSYTGSSGGY NSPHNKNFFK RTIAHNSLLI YDPKETFSSS GYGGSDHTDF DATA SEQUENCE AANDGGQRLP GKGWIAPRDL KEMLAGDFRT GKILAQGFGP DNQTPDYTYL DATA SEQUENCE KGDITAAYSA KVKEVKRSFL FLNLKDAKVP AAMIVFDKVV ASNPDFKKFW DATA SEQUENCE LLHSIEQPEI KGNQITIKRT KNGDSGMLVN TALLPDAANS NITSIGGKGK DATA SEQUENCE DFWVFGTNYT NDPKPGTDEA LERGEWRVEI TPKKAAAEDY YLNVIQIADN DATA SEQUENCE TQQKLHEVKR IDGDKVVGVQ LADRIVTFSK TSETVDRPFG FSVVGKGTFK DATA SEQUENCE FVMTDLLPGT WQVLKDGKIL YPALSAKGDD GALYFEGTEG TYRFLR 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 27 T HA 0.000 nan 4.350 nan 0.000 0.228 27 T C 0.000 174.679 174.700 -0.035 0.000 1.109 27 T CA 0.000 62.050 62.100 -0.084 0.000 1.349 27 T CB 0.000 68.842 68.868 -0.043 0.000 0.612 28 K N 1.070 121.459 120.400 -0.017 0.000 2.527 28 K HA 0.461 4.781 4.320 0.000 0.000 0.278 28 K C 0.725 177.353 176.600 0.047 0.000 0.981 28 K CA 0.117 56.413 56.287 0.015 0.000 1.009 28 K CB 0.117 32.622 32.500 0.009 0.000 0.895 28 K HN 0.939 nan 8.250 nan 0.000 0.493 29 A N 3.655 126.529 122.820 0.090 0.000 2.520 29 A HA 0.012 4.332 4.320 0.000 0.000 0.245 29 A C 0.049 177.706 177.584 0.122 0.000 1.072 29 A CA 0.224 52.353 52.037 0.153 0.000 0.761 29 A CB 0.049 19.221 19.000 0.287 0.000 1.004 29 A HN 0.877 nan 8.150 nan 0.000 0.499 30 D N 0.936 121.395 120.400 0.099 0.000 2.563 30 D HA 0.162 4.802 4.640 0.000 0.000 0.237 30 D C 0.177 176.510 176.300 0.055 0.000 1.282 30 D CA 0.341 54.381 54.000 0.067 0.000 0.816 30 D CB -0.963 39.855 40.800 0.031 0.000 1.066 30 D HN 0.429 nan 8.370 nan 0.000 0.501 31 V N -1.802 118.154 119.914 0.069 0.000 2.997 31 V HA 0.630 4.750 4.120 0.000 0.000 0.311 31 V C 0.470 176.590 176.094 0.043 0.000 1.066 31 V CA -0.986 61.299 62.300 -0.025 0.000 1.039 31 V CB 1.651 33.366 31.823 -0.180 0.000 1.081 31 V HN -0.110 nan 8.190 nan 0.000 0.467 32 V N 1.602 121.492 119.914 -0.040 0.000 2.649 32 V HA 0.271 4.391 4.120 0.000 0.000 0.292 32 V C -0.502 175.562 176.094 -0.049 0.000 1.055 32 V CA 0.023 62.342 62.300 0.032 0.000 1.023 32 V CB 0.896 32.718 31.823 -0.003 0.000 0.992 32 V HN 0.929 nan 8.190 nan 0.000 0.480 33 W N 4.118 125.384 121.300 -0.056 0.000 2.587 33 W HA 0.667 5.327 4.660 0.000 0.000 0.324 33 W C -0.020 176.463 176.519 -0.061 0.000 1.040 33 W CA -0.781 56.520 57.345 -0.074 0.000 1.222 33 W CB 1.427 30.843 29.460 -0.074 0.000 1.381 33 W HN 0.516 nan 8.180 nan 0.000 0.483 34 K N 1.291 121.758 120.400 0.112 0.000 2.375 34 K HA 0.532 4.852 4.320 0.000 0.000 0.249 34 K C -1.045 175.589 176.600 0.056 0.000 0.942 34 K CA -0.919 55.410 56.287 0.069 0.000 0.806 34 K CB 2.064 34.581 32.500 0.029 0.000 1.227 34 K HN 0.130 nan 8.250 nan 0.000 0.430 35 D N 1.627 122.055 120.400 0.046 0.000 2.351 35 D HA 0.199 4.839 4.640 0.000 0.000 0.251 35 D C -0.837 175.472 176.300 0.014 0.000 1.137 35 D CA -0.158 53.860 54.000 0.029 0.000 0.879 35 D CB 1.465 42.279 40.800 0.022 0.000 1.181 35 D HN 0.289 nan 8.370 nan 0.000 0.448 36 V N 3.755 123.672 119.914 0.006 0.000 2.349 36 V HA 0.149 4.269 4.120 0.000 0.000 0.284 36 V C -0.418 175.679 176.094 0.005 0.000 1.014 36 V CA -0.884 61.419 62.300 0.004 0.000 0.826 36 V CB 1.335 33.157 31.823 -0.001 0.000 1.009 36 V HN 0.626 nan 8.190 nan 0.000 0.431 37 D N 4.385 124.787 120.400 0.003 0.000 2.737 37 D HA -0.205 4.435 4.640 0.000 0.000 0.238 37 D C 1.324 177.624 176.300 -0.001 0.000 1.157 37 D CA 1.365 55.365 54.000 -0.000 0.000 0.694 37 D CB -0.931 39.867 40.800 -0.002 0.000 1.021 37 D HN 1.382 nan 8.370 nan 0.000 0.420 38 G N -1.838 106.963 108.800 0.001 0.000 2.212 38 G HA2 -0.341 3.619 3.960 0.000 0.000 0.266 38 G HA3 -0.341 3.619 3.960 0.000 0.000 0.266 38 G C 0.387 175.291 174.900 0.005 0.000 0.978 38 G CA 0.397 45.497 45.100 -0.000 0.000 0.632 38 G HN 0.648 nan 8.290 nan 0.000 0.537 39 V N 1.362 121.283 119.914 0.012 0.000 2.357 39 V HA 0.655 4.775 4.120 0.000 0.000 0.284 39 V C 0.805 176.917 176.094 0.030 0.000 1.018 39 V CA -0.023 62.293 62.300 0.027 0.000 0.841 39 V CB 1.534 33.380 31.823 0.038 0.000 0.991 39 V HN 0.458 nan 8.190 nan 0.000 0.437 40 S N 6.494 122.226 115.700 0.054 0.000 2.533 40 S HA 0.587 5.058 4.470 0.000 0.000 0.282 40 S C -0.361 174.287 174.600 0.079 0.000 1.304 40 S CA -0.046 58.218 58.200 0.107 0.000 1.063 40 S CB -0.032 63.235 63.200 0.111 0.000 0.881 40 S HN 0.634 nan 8.310 nan 0.000 0.493 41 M N 5.942 125.539 119.600 -0.006 0.000 2.484 41 M HA 0.456 4.936 4.480 0.000 0.000 0.289 41 M C -2.624 173.286 176.300 -0.650 0.000 1.206 41 M CA -2.077 52.911 55.300 -0.521 0.000 0.892 41 M CB 2.802 35.129 32.600 -0.455 0.000 1.712 41 M HN 0.425 nan 8.290 nan 0.000 0.462 42 P HA 0.417 nan 4.420 nan 0.000 0.286 42 P C -1.192 175.744 177.300 -0.606 0.000 1.261 42 P CA -0.259 62.062 63.100 -1.297 0.000 0.821 42 P CB 0.732 31.545 31.700 -1.478 0.000 1.013 43 I N 4.210 124.459 120.570 -0.534 0.000 2.315 43 I HA 0.255 4.425 4.170 0.000 0.000 0.291 43 I C -2.046 173.715 176.117 -0.593 0.000 1.006 43 I CA -2.711 58.302 61.300 -0.478 0.000 1.265 43 I CB 1.080 38.932 38.000 -0.247 0.000 1.387 43 I HN 0.111 nan 8.210 nan 0.000 0.475 44 P HA 0.055 nan 4.420 nan 0.000 0.265 44 P C -2.360 174.671 177.300 -0.448 0.000 1.193 44 P CA -0.740 61.903 63.100 -0.762 0.000 0.765 44 P CB -0.282 30.748 31.700 -1.117 0.000 0.823 45 P HA 0.083 nan 4.420 nan 0.000 0.271 45 P C -0.404 176.772 177.300 -0.207 0.000 1.218 45 P CA -0.131 62.846 63.100 -0.205 0.000 0.780 45 P CB 0.667 32.272 31.700 -0.159 0.000 0.901 46 K N 1.011 121.330 120.400 -0.135 0.000 3.322 46 K HA 0.207 4.527 4.320 0.000 0.000 0.291 46 K C -0.051 176.463 176.600 -0.144 0.000 1.131 46 K CA 0.192 56.411 56.287 -0.113 0.000 1.185 46 K CB -0.571 31.906 32.500 -0.038 0.000 1.338 46 K HN 0.399 nan 8.250 nan 0.000 0.380 47 T N 0.010 114.407 114.554 -0.262 0.000 2.982 47 T HA 0.240 4.590 4.350 0.000 0.000 0.321 47 T C -1.295 173.170 174.700 -0.392 0.000 1.229 47 T CA -0.913 61.061 62.100 -0.211 0.000 1.044 47 T CB 1.203 70.013 68.868 -0.098 0.000 1.184 47 T HN 0.269 nan 8.240 nan 0.000 0.477 48 H N 2.016 121.039 119.070 -0.078 0.000 2.492 48 H HA 0.562 5.118 4.556 0.000 0.000 0.345 48 H C -2.162 173.185 175.328 0.032 0.000 1.136 48 H CA -1.517 54.514 56.048 -0.028 0.000 1.202 48 H CB 1.136 30.869 29.762 -0.048 0.000 1.524 48 H HN 0.304 nan 8.280 nan 0.000 0.506 49 P HA 0.207 nan 4.420 nan 0.000 0.277 49 P C -0.234 177.106 177.300 0.068 0.000 1.240 49 P CA -0.696 62.507 63.100 0.172 0.000 0.798 49 P CB 1.722 33.445 31.700 0.039 0.000 0.979 50 R N 0.025 120.580 120.500 0.090 0.000 2.526 50 R HA 0.317 4.657 4.340 0.000 0.000 0.346 50 R C -0.222 176.130 176.300 0.087 0.000 0.926 50 R CA -0.440 55.672 56.100 0.020 0.000 1.147 50 R CB -0.224 29.996 30.300 -0.133 0.000 1.629 50 R HN 0.207 nan 8.270 nan 0.000 0.516 51 L N 2.149 123.471 121.223 0.164 0.000 2.259 51 L HA 0.315 4.655 4.340 0.000 0.000 0.288 51 L C -0.383 176.627 176.870 0.233 0.000 1.051 51 L CA 0.127 54.975 54.840 0.012 0.000 0.824 51 L CB -0.385 41.547 42.059 -0.212 0.000 1.206 51 L HN 0.420 nan 8.230 nan 0.000 0.429 52 Y N 3.476 124.128 120.300 0.587 0.000 4.545 52 Y HA -0.331 4.220 4.550 0.000 0.000 0.306 52 Y C 0.161 176.464 175.900 0.670 0.000 1.060 52 Y CA 0.772 59.359 58.100 0.813 0.000 1.834 52 Y CB -1.501 37.465 38.460 0.843 0.000 1.008 52 Y HN 0.569 nan 8.280 nan 0.000 0.436 53 L N -2.897 118.636 121.223 0.518 0.000 2.794 53 L HA 0.840 5.180 4.340 0.000 0.000 0.261 53 L C -0.842 176.115 176.870 0.144 0.000 0.989 53 L CA -1.360 53.655 54.840 0.293 0.000 0.900 53 L CB 1.909 44.079 42.059 0.184 0.000 1.473 53 L HN -0.124 nan 8.230 nan 0.000 0.414 54 R N 0.516 121.065 120.500 0.083 0.000 2.875 54 R HA 0.307 4.647 4.340 0.000 0.000 0.251 54 R C 0.283 176.578 176.300 -0.008 0.000 1.123 54 R CA -0.816 55.300 56.100 0.026 0.000 1.064 54 R CB 1.530 31.841 30.300 0.019 0.000 1.205 54 R HN 0.893 nan 8.270 nan 0.000 0.503 55 E N 1.339 121.527 120.200 -0.021 0.000 2.171 55 E HA -0.257 4.093 4.350 0.000 0.000 0.197 55 E C 1.728 178.311 176.600 -0.028 0.000 0.997 55 E CA 1.686 58.066 56.400 -0.033 0.000 0.810 55 E CB 0.002 29.686 29.700 -0.026 0.000 0.738 55 E HN 0.520 nan 8.360 nan 0.000 0.467 56 Q N -0.273 119.518 119.800 -0.015 0.000 2.197 56 Q HA -0.260 4.080 4.340 0.000 0.000 0.211 56 Q C 1.367 177.361 176.000 -0.011 0.000 0.993 56 Q CA 2.124 57.921 55.803 -0.010 0.000 0.883 56 Q CB -0.075 28.662 28.738 -0.001 0.000 0.916 56 Q HN 0.470 nan 8.270 nan 0.000 0.418 57 Q N -1.106 118.692 119.800 -0.004 0.000 2.247 57 Q HA 0.090 4.430 4.340 0.000 0.000 0.211 57 Q C 1.780 177.760 176.000 -0.035 0.000 0.861 57 Q CA 0.239 56.039 55.803 -0.004 0.000 0.949 57 Q CB 0.325 29.086 28.738 0.038 0.000 1.115 57 Q HN 0.208 nan 8.270 nan 0.000 0.507 58 V N 2.414 122.294 119.914 -0.057 0.000 2.295 58 V HA -0.168 3.952 4.120 0.000 0.000 0.246 58 V C -0.533 175.513 176.094 -0.080 0.000 1.049 58 V CA 2.009 64.255 62.300 -0.091 0.000 1.024 58 V CB -1.473 30.283 31.823 -0.111 0.000 0.648 58 V HN 0.260 nan 8.190 nan 0.000 0.447 59 P HA -0.110 nan 4.420 nan 0.000 0.222 59 P C 1.061 178.324 177.300 -0.060 0.000 1.147 59 P CA 1.266 64.329 63.100 -0.061 0.000 0.790 59 P CB -0.023 31.647 31.700 -0.050 0.000 0.780 60 D N -1.258 119.106 120.400 -0.059 0.000 2.347 60 D HA -0.030 4.610 4.640 0.000 0.000 0.215 60 D C 1.710 177.956 176.300 -0.089 0.000 0.976 60 D CA 0.390 54.350 54.000 -0.067 0.000 0.884 60 D CB -0.540 40.226 40.800 -0.057 0.000 0.915 60 D HN 0.040 nan 8.370 nan 0.000 0.526 61 L N -0.127 121.048 121.223 -0.080 0.000 2.131 61 L HA -0.162 4.178 4.340 0.000 0.000 0.210 61 L C 2.263 179.102 176.870 -0.052 0.000 1.092 61 L CA 0.886 55.688 54.840 -0.064 0.000 0.759 61 L CB -0.329 41.715 42.059 -0.025 0.000 0.903 61 L HN -0.013 nan 8.230 nan 0.000 0.435 62 K N 0.484 120.844 120.400 -0.066 0.000 2.103 62 K HA -0.103 4.217 4.320 0.000 0.000 0.204 62 K C 1.791 178.344 176.600 -0.079 0.000 1.052 62 K CA 1.241 57.484 56.287 -0.073 0.000 0.945 62 K CB -0.231 32.226 32.500 -0.072 0.000 0.722 62 K HN 0.208 nan 8.250 nan 0.000 0.443 63 N N 0.771 119.422 118.700 -0.082 0.000 2.120 63 N HA -0.125 4.615 4.740 0.000 0.000 0.188 63 N C 1.760 177.206 175.510 -0.107 0.000 1.024 63 N CA 1.151 54.151 53.050 -0.083 0.000 0.852 63 N CB -0.193 38.248 38.487 -0.077 0.000 1.003 63 N HN 0.235 nan 8.380 nan 0.000 0.424 64 R N 0.060 120.462 120.500 -0.162 0.000 2.096 64 R HA -0.015 4.325 4.340 0.000 0.000 0.235 64 R C 2.032 178.231 176.300 -0.167 0.000 1.127 64 R CA 1.006 56.938 56.100 -0.279 0.000 0.968 64 R CB -0.238 29.719 30.300 -0.572 0.000 0.861 64 R HN 0.142 nan 8.270 nan 0.000 0.440 65 M N 0.880 120.455 119.600 -0.042 0.000 2.229 65 M HA -0.095 4.385 4.480 0.000 0.000 0.264 65 M C 0.795 177.057 176.300 -0.063 0.000 1.063 65 M CA 1.824 57.121 55.300 -0.005 0.000 1.114 65 M CB -0.026 32.492 32.600 -0.138 0.000 1.387 65 M HN 0.063 nan 8.290 nan 0.000 0.420 66 N N -0.465 118.194 118.700 -0.068 0.000 2.336 66 N HA -0.029 4.711 4.740 0.000 0.000 0.189 66 N C -0.315 175.172 175.510 -0.038 0.000 1.113 66 N CA -0.076 52.940 53.050 -0.055 0.000 0.858 66 N CB 0.113 38.565 38.487 -0.058 0.000 0.970 66 N HN 0.245 nan 8.380 nan 0.000 0.471 67 D N 1.485 121.859 120.400 -0.043 0.000 2.339 67 D HA 0.030 4.670 4.640 0.000 0.000 0.256 67 D C -1.430 174.870 176.300 -0.001 0.000 1.214 67 D CA -2.097 51.882 54.000 -0.035 0.000 0.877 67 D CB 1.274 42.033 40.800 -0.069 0.000 1.111 67 D HN 0.125 nan 8.370 nan 0.000 0.478 68 P HA -0.112 nan 4.420 nan 0.000 0.221 68 P C 0.817 178.137 177.300 0.034 0.000 1.150 68 P CA 0.902 64.014 63.100 0.020 0.000 0.800 68 P CB 0.445 32.151 31.700 0.010 0.000 0.787 69 K N -0.180 120.236 120.400 0.026 0.000 2.148 69 K HA 0.003 4.323 4.320 0.000 0.000 0.204 69 K C 2.125 178.765 176.600 0.067 0.000 1.050 69 K CA 1.000 57.311 56.287 0.039 0.000 0.942 69 K CB -0.387 32.132 32.500 0.032 0.000 0.724 69 K HN 0.228 nan 8.250 nan 0.000 0.446 70 L N 0.692 121.954 121.223 0.065 0.000 2.477 70 L HA 0.035 4.375 4.340 0.000 0.000 0.220 70 L C 2.401 179.432 176.870 0.268 0.000 1.106 70 L CA 0.170 55.090 54.840 0.134 0.000 0.851 70 L CB -0.108 41.940 42.059 -0.018 0.000 0.994 70 L HN 0.050 nan 8.230 nan 0.000 0.462 71 K N 1.356 121.867 120.400 0.184 0.000 2.057 71 K HA -0.208 4.112 4.320 0.000 0.000 0.207 71 K C 2.032 178.770 176.600 0.229 0.000 1.049 71 K CA 1.390 57.803 56.287 0.209 0.000 0.931 71 K CB 0.035 32.603 32.500 0.114 0.000 0.714 71 K HN 0.176 nan 8.250 nan 0.000 0.440 72 K N 0.700 121.189 120.400 0.149 0.000 2.063 72 K HA -0.118 4.202 4.320 0.000 0.000 0.208 72 K C 2.014 178.676 176.600 0.104 0.000 1.048 72 K CA 1.208 57.557 56.287 0.103 0.000 0.928 72 K CB -0.166 32.369 32.500 0.059 0.000 0.713 72 K HN 0.014 nan 8.250 nan 0.000 0.442 73 V N 0.156 120.158 119.914 0.148 0.000 2.427 73 V HA -0.201 3.919 4.120 0.000 0.000 0.248 73 V C 1.747 177.901 176.094 0.100 0.000 1.051 73 V CA 1.806 64.181 62.300 0.125 0.000 1.048 73 V CB -0.421 31.503 31.823 0.167 0.000 0.666 73 V HN 0.588 nan 8.190 nan 0.000 0.456 74 W N 0.780 122.069 121.300 -0.018 0.000 2.358 74 W HA -0.101 4.559 4.660 0.000 0.000 0.303 74 W C 2.381 178.828 176.519 -0.121 0.000 1.208 74 W CA 2.335 59.578 57.345 -0.169 0.000 1.274 74 W CB -0.454 28.883 29.460 -0.205 0.000 1.138 74 W HN 0.299 nan 8.180 nan 0.000 0.515 75 A N 0.185 123.039 122.820 0.056 0.000 1.908 75 A HA -0.249 4.071 4.320 0.000 0.000 0.218 75 A C 1.734 179.206 177.584 -0.185 0.000 1.181 75 A CA 2.194 54.180 52.037 -0.084 0.000 0.627 75 A CB -1.090 17.931 19.000 0.035 0.000 0.818 75 A HN 0.279 nan 8.150 nan 0.000 0.445 76 D N -0.269 120.055 120.400 -0.127 0.000 2.133 76 D HA -0.190 4.450 4.640 0.000 0.000 0.195 76 D C 1.973 178.142 176.300 -0.218 0.000 0.997 76 D CA 1.668 55.584 54.000 -0.141 0.000 0.840 76 D CB -0.367 40.379 40.800 -0.089 0.000 0.947 76 D HN 0.526 nan 8.370 nan 0.000 0.452 77 M N -0.261 119.158 119.600 -0.301 0.000 2.254 77 M HA -0.076 4.404 4.480 0.000 0.000 0.265 77 M C 1.920 177.960 176.300 -0.432 0.000 1.066 77 M CA 0.519 55.601 55.300 -0.362 0.000 1.123 77 M CB 0.115 32.460 32.600 -0.424 0.000 1.388 77 M HN -0.004 nan 8.290 nan 0.000 0.425 78 I N 0.725 120.954 120.570 -0.568 0.000 2.208 78 I HA -0.272 3.899 4.170 0.000 0.000 0.245 78 I C 2.303 178.235 176.117 -0.309 0.000 1.097 78 I CA 1.583 62.577 61.300 -0.510 0.000 1.363 78 I CB -1.176 36.477 38.000 -0.578 0.000 1.051 78 I HN 0.295 nan 8.210 nan 0.000 0.413 79 K N 0.179 120.423 120.400 -0.259 0.000 2.148 79 K HA -0.064 4.256 4.320 0.000 0.000 0.204 79 K C 2.019 178.492 176.600 -0.211 0.000 1.050 79 K CA 1.060 57.226 56.287 -0.201 0.000 0.942 79 K CB -0.215 32.182 32.500 -0.171 0.000 0.724 79 K HN 0.351 nan 8.250 nan 0.000 0.446 80 M N 0.782 120.246 119.600 -0.227 0.000 2.460 80 M HA -0.129 4.351 4.480 0.000 0.000 0.263 80 M C 1.853 178.031 176.300 -0.204 0.000 1.071 80 M CA 1.196 56.362 55.300 -0.223 0.000 1.096 80 M CB -0.084 32.394 32.600 -0.203 0.000 1.408 80 M HN 0.113 nan 8.290 nan 0.000 0.463 81 Q N 0.276 119.959 119.800 -0.195 0.000 2.224 81 Q HA -0.105 4.235 4.340 0.000 0.000 0.203 81 Q C 0.634 176.557 176.000 -0.129 0.000 0.970 81 Q CA 0.598 56.309 55.803 -0.153 0.000 0.865 81 Q CB -0.094 28.550 28.738 -0.157 0.000 0.922 81 Q HN 0.497 nan 8.270 nan 0.000 0.445 82 E N 1.953 122.063 120.200 -0.149 0.000 2.415 82 E HA -0.059 4.291 4.350 0.000 0.000 0.263 82 E C -0.742 175.774 176.600 -0.140 0.000 0.995 82 E CA -0.577 55.745 56.400 -0.131 0.000 0.915 82 E CB 0.549 30.164 29.700 -0.141 0.000 0.951 82 E HN 0.028 nan 8.360 nan 0.000 0.449 83 D N 3.493 123.850 120.400 -0.072 0.000 2.419 83 D HA -0.090 4.550 4.640 0.000 0.000 0.236 83 D C -0.436 175.850 176.300 -0.024 0.000 1.165 83 D CA 0.381 54.373 54.000 -0.013 0.000 0.882 83 D CB 0.311 41.135 40.800 0.041 0.000 1.201 83 D HN 0.395 nan 8.370 nan 0.000 0.443 84 W N 1.394 122.669 121.300 -0.041 0.000 2.314 84 W HA -0.049 4.611 4.660 0.000 0.000 0.339 84 W C 1.285 177.795 176.519 -0.014 0.000 1.293 84 W CA 0.193 57.522 57.345 -0.027 0.000 1.288 84 W CB 0.335 29.805 29.460 0.017 0.000 1.186 84 W HN -0.049 nan 8.180 nan 0.000 0.566 85 K N 6.268 126.819 120.400 0.252 0.000 2.412 85 K HA -0.027 4.293 4.320 0.000 0.000 0.284 85 K C -1.246 175.472 176.600 0.196 0.000 1.046 85 K CA -0.900 55.488 56.287 0.168 0.000 0.999 85 K CB 0.748 33.314 32.500 0.110 0.000 0.941 85 K HN 0.190 nan 8.250 nan 0.000 0.474 86 P HA -0.250 nan 4.420 nan 0.000 0.217 86 P C 0.814 178.136 177.300 0.037 0.000 1.151 86 P CA 1.381 64.517 63.100 0.061 0.000 0.849 86 P CB 0.180 31.897 31.700 0.028 0.000 0.787 87 A N -0.500 122.349 122.820 0.049 0.000 2.067 87 A HA -0.107 4.213 4.320 0.000 0.000 0.217 87 A C 1.778 179.394 177.584 0.053 0.000 1.156 87 A CA 1.387 53.443 52.037 0.032 0.000 0.683 87 A CB -0.808 18.208 19.000 0.028 0.000 0.808 87 A HN 0.056 nan 8.150 nan 0.000 0.455 88 D N -0.295 120.183 120.400 0.129 0.000 2.333 88 D HA 0.114 4.755 4.640 0.000 0.000 0.208 88 D C 0.414 176.785 176.300 0.118 0.000 0.984 88 D CA 0.195 54.323 54.000 0.213 0.000 0.873 88 D CB -0.069 40.967 40.800 0.393 0.000 0.935 88 D HN 0.439 nan 8.370 nan 0.000 0.521 89 I N 3.298 123.844 120.570 -0.040 0.000 2.587 89 I HA -0.015 4.155 4.170 0.000 0.000 0.284 89 I C -0.890 175.047 176.117 -0.300 0.000 1.134 89 I CA -0.999 60.091 61.300 -0.350 0.000 1.410 89 I CB 0.986 38.787 38.000 -0.330 0.000 1.392 89 I HN -0.127 nan 8.210 nan 0.000 0.545 90 P HA -0.129 nan 4.420 nan 0.000 0.223 90 P C 0.534 177.672 177.300 -0.270 0.000 1.151 90 P CA 0.933 63.878 63.100 -0.259 0.000 0.787 90 P CB 0.286 31.838 31.700 -0.246 0.000 0.788 91 E N -2.114 117.861 120.200 -0.376 0.000 4.067 91 E HA -0.131 4.219 4.350 0.000 0.000 0.346 91 E C 0.283 176.706 176.600 -0.294 0.000 0.613 91 E CA 1.392 57.599 56.400 -0.321 0.000 1.252 91 E CB -1.919 27.656 29.700 -0.209 0.000 1.731 91 E HN 0.347 nan 8.360 nan 0.000 0.406 92 V N 0.056 119.804 119.914 -0.278 0.000 2.247 92 V HA 0.371 4.491 4.120 0.000 0.000 0.262 92 V C 0.399 176.308 176.094 -0.309 0.000 1.096 92 V CA -0.454 61.709 62.300 -0.229 0.000 0.895 92 V CB 0.648 32.386 31.823 -0.142 0.000 1.141 92 V HN -0.005 nan 8.190 nan 0.000 0.478 93 K N 3.158 123.308 120.400 -0.417 0.000 2.095 93 K HA 0.157 4.477 4.320 0.000 0.000 0.258 93 K C 0.269 176.781 176.600 -0.146 0.000 1.120 93 K CA -0.053 55.868 56.287 -0.610 0.000 1.026 93 K CB -0.086 31.849 32.500 -0.941 0.000 1.256 93 K HN 0.706 nan 8.250 nan 0.000 0.360 94 D N 0.986 121.325 120.400 -0.101 0.000 2.335 94 D HA -0.123 4.517 4.640 0.000 0.000 0.236 94 D C 1.056 177.413 176.300 0.095 0.000 1.297 94 D CA -0.310 53.675 54.000 -0.025 0.000 0.906 94 D CB 0.468 41.174 40.800 -0.157 0.000 1.164 94 D HN 0.330 nan 8.370 nan 0.000 0.469 95 F N 0.411 120.351 119.950 -0.016 0.000 2.234 95 F HA 0.022 4.549 4.527 0.000 0.000 0.299 95 F C 2.013 177.659 175.800 -0.257 0.000 1.087 95 F CA 0.862 58.737 58.000 -0.209 0.000 1.340 95 F CB -0.291 38.456 39.000 -0.421 0.000 1.031 95 F HN 0.161 nan 8.300 nan 0.000 0.500 96 R N -0.233 119.664 120.500 -1.005 0.000 2.120 96 R HA -0.130 4.210 4.340 0.000 0.000 0.234 96 R C 2.145 178.359 176.300 -0.144 0.000 1.123 96 R CA 1.662 57.386 56.100 -0.627 0.000 0.975 96 R CB -0.976 28.948 30.300 -0.626 0.000 0.866 96 R HN 0.445 nan 8.270 nan 0.000 0.446 97 F N 0.722 120.525 119.950 -0.245 0.000 2.095 97 F HA -0.257 4.270 4.527 0.000 0.000 0.298 97 F C 1.677 177.408 175.800 -0.116 0.000 1.104 97 F CA 1.506 59.373 58.000 -0.222 0.000 1.232 97 F CB -0.344 38.357 39.000 -0.498 0.000 0.987 97 F HN -0.088 nan 8.300 nan 0.000 0.475 98 Y N -1.506 118.843 120.300 0.081 0.000 2.314 98 Y HA -0.164 4.386 4.550 0.000 0.000 0.293 98 Y C 2.189 178.172 175.900 0.138 0.000 1.129 98 Y CA 0.904 59.049 58.100 0.074 0.000 1.201 98 Y CB -0.523 38.029 38.460 0.152 0.000 0.999 98 Y HN 0.029 nan 8.280 nan 0.000 0.541 99 F N -0.166 119.767 119.950 -0.029 0.000 2.325 99 F HA -0.080 4.447 4.527 0.000 0.000 0.299 99 F C 1.362 177.155 175.800 -0.011 0.000 1.090 99 F CA 0.520 58.414 58.000 -0.178 0.000 1.392 99 F CB -0.866 37.994 39.000 -0.233 0.000 1.053 99 F HN 0.014 nan 8.300 nan 0.000 0.521 100 N N 1.497 120.284 118.700 0.145 0.000 3.254 100 N HA -0.063 4.677 4.740 0.000 0.000 0.308 100 N C -0.007 175.476 175.510 -0.045 0.000 1.281 100 N CA 0.071 53.145 53.050 0.039 0.000 1.212 100 N CB -0.582 37.933 38.487 0.048 0.000 1.478 100 N HN 0.278 nan 8.380 nan 0.000 0.548 101 Q N 1.611 121.415 119.800 0.006 0.000 2.300 101 Q HA 0.072 4.412 4.340 0.000 0.000 0.280 101 Q C -0.725 175.207 176.000 -0.113 0.000 1.033 101 Q CA 0.571 56.372 55.803 -0.002 0.000 0.903 101 Q CB 0.495 29.272 28.738 0.065 0.000 1.195 101 Q HN 0.299 nan 8.270 nan 0.000 0.386 102 K N 1.939 122.269 120.400 -0.116 0.000 2.508 102 K HA 0.669 4.989 4.320 0.000 0.000 0.260 102 K C -0.371 176.194 176.600 -0.058 0.000 0.949 102 K CA -0.299 55.867 56.287 -0.202 0.000 0.834 102 K CB 2.005 34.186 32.500 -0.532 0.000 1.365 102 K HN 0.916 nan 8.250 nan 0.000 0.437 103 G N 0.937 109.693 108.800 -0.074 0.000 2.499 103 G HA2 -0.283 3.677 3.960 0.000 0.000 0.232 103 G HA3 -0.283 3.677 3.960 0.000 0.000 0.232 103 G C 0.369 175.274 174.900 0.009 0.000 1.251 103 G CA 0.049 45.142 45.100 -0.010 0.000 0.917 103 G HN 0.523 nan 8.290 nan 0.000 0.580 104 L N 1.236 122.487 121.223 0.047 0.000 2.021 104 L HA -0.065 4.275 4.340 0.000 0.000 0.215 104 L C 3.411 180.310 176.870 0.049 0.000 1.074 104 L CA 4.249 59.118 54.840 0.048 0.000 0.760 104 L CB -1.052 41.051 42.059 0.074 0.000 0.889 104 L HN 1.313 nan 8.230 nan 0.000 0.433 105 T N -4.431 110.178 114.554 0.090 0.000 2.788 105 T HA -0.153 4.197 4.350 0.000 0.000 0.268 105 T C 1.827 176.534 174.700 0.012 0.000 1.044 105 T CA 1.468 63.613 62.100 0.075 0.000 1.139 105 T CB -1.099 67.868 68.868 0.165 0.000 0.867 105 T HN 0.184 nan 8.240 nan 0.000 0.454 106 V N 1.777 121.687 119.914 -0.007 0.000 2.307 106 V HA -0.115 4.005 4.120 0.000 0.000 0.245 106 V C 3.026 179.076 176.094 -0.073 0.000 1.045 106 V CA 1.740 64.002 62.300 -0.063 0.000 1.024 106 V CB -0.698 31.067 31.823 -0.097 0.000 0.651 106 V HN 0.437 nan 8.190 nan 0.000 0.449 107 R N 0.406 120.873 120.500 -0.054 0.000 2.083 107 R HA -0.161 4.179 4.340 0.000 0.000 0.237 107 R C 2.352 178.640 176.300 -0.019 0.000 1.137 107 R CA 1.949 58.021 56.100 -0.046 0.000 0.951 107 R CB -0.804 29.477 30.300 -0.031 0.000 0.851 107 R HN 0.612 nan 8.270 nan 0.000 0.434 108 V N -0.987 118.922 119.914 -0.007 0.000 2.626 108 V HA -0.145 3.975 4.120 0.000 0.000 0.252 108 V C 1.642 177.740 176.094 0.007 0.000 1.067 108 V CA 1.604 63.909 62.300 0.008 0.000 1.081 108 V CB -0.408 31.422 31.823 0.012 0.000 0.686 108 V HN 0.237 nan 8.190 nan 0.000 0.468 109 E N 0.639 120.822 120.200 -0.029 0.000 2.072 109 E HA -0.067 4.283 4.350 0.000 0.000 0.191 109 E C 2.224 178.845 176.600 0.036 0.000 0.985 109 E CA 1.630 57.996 56.400 -0.057 0.000 0.801 109 E CB -0.232 29.395 29.700 -0.121 0.000 0.750 109 E HN 0.603 nan 8.360 nan 0.000 0.452 110 L N 0.225 121.456 121.223 0.014 0.000 2.156 110 L HA -0.128 4.213 4.340 0.000 0.000 0.208 110 L C 2.470 179.421 176.870 0.135 0.000 1.095 110 L CA 0.680 55.556 54.840 0.060 0.000 0.770 110 L CB -0.262 41.768 42.059 -0.049 0.000 0.914 110 L HN 0.239 nan 8.230 nan 0.000 0.439 111 M N -0.471 119.192 119.600 0.105 0.000 2.086 111 M HA -0.192 4.288 4.480 0.000 0.000 0.261 111 M C 2.567 178.992 176.300 0.208 0.000 1.067 111 M CA 1.990 57.367 55.300 0.129 0.000 1.116 111 M CB -0.483 32.164 32.600 0.078 0.000 1.348 111 M HN 0.309 nan 8.290 nan 0.000 0.407 112 A N 0.265 123.229 122.820 0.241 0.000 1.902 112 A HA -0.169 4.151 4.320 0.000 0.000 0.217 112 A C 2.087 180.019 177.584 0.581 0.000 1.181 112 A CA 1.390 53.673 52.037 0.410 0.000 0.623 112 A CB -0.860 18.362 19.000 0.371 0.000 0.818 112 A HN 0.431 nan 8.150 nan 0.000 0.443 113 L N 0.891 122.450 121.223 0.561 0.000 2.042 113 L HA -0.209 4.131 4.340 0.000 0.000 0.210 113 L C 2.101 179.087 176.870 0.193 0.000 1.076 113 L CA 2.471 57.540 54.840 0.382 0.000 0.749 113 L CB -0.794 41.476 42.059 0.352 0.000 0.893 113 L HN 0.594 nan 8.230 nan 0.000 0.432 114 N N -1.742 117.084 118.700 0.210 0.000 2.244 114 N HA -0.283 4.458 4.740 0.000 0.000 0.183 114 N C 2.078 177.671 175.510 0.139 0.000 1.016 114 N CA 1.240 54.378 53.050 0.146 0.000 0.866 114 N CB -0.182 38.400 38.487 0.158 0.000 0.980 114 N HN 0.517 nan 8.380 nan 0.000 0.430 115 Y N 1.776 122.128 120.300 0.087 0.000 2.242 115 Y HA -0.060 4.490 4.550 0.000 0.000 0.291 115 Y C 2.151 178.073 175.900 0.036 0.000 1.137 115 Y CA 1.134 59.274 58.100 0.066 0.000 1.181 115 Y CB -0.366 38.150 38.460 0.092 0.000 0.989 115 Y HN 0.033 nan 8.280 nan 0.000 0.527 116 L N -0.659 120.529 121.223 -0.060 0.000 2.083 116 L HA -0.267 4.073 4.340 0.000 0.000 0.209 116 L C 2.326 179.073 176.870 -0.206 0.000 1.083 116 L CA 1.753 56.470 54.840 -0.205 0.000 0.752 116 L CB -0.453 41.460 42.059 -0.242 0.000 0.899 116 L HN 0.320 nan 8.230 nan 0.000 0.433 117 M N -1.354 118.170 119.600 -0.127 0.000 2.447 117 M HA -0.063 4.417 4.480 0.000 0.000 0.264 117 M C 2.031 178.267 176.300 -0.107 0.000 1.095 117 M CA 1.655 56.893 55.300 -0.104 0.000 1.125 117 M CB -0.146 32.414 32.600 -0.067 0.000 1.389 117 M HN 0.367 nan 8.290 nan 0.000 0.459 118 T N -3.867 110.618 114.554 -0.115 0.000 2.978 118 T HA 0.230 4.580 4.350 0.000 0.000 0.248 118 T C 0.973 175.588 174.700 -0.143 0.000 1.018 118 T CA -0.037 62.008 62.100 -0.091 0.000 1.026 118 T CB 0.176 69.029 68.868 -0.024 0.000 1.032 118 T HN 0.281 nan 8.240 nan 0.000 0.485 119 K N 0.961 121.173 120.400 -0.314 0.000 3.407 119 K HA -0.169 4.151 4.320 0.000 0.000 0.312 119 K C -0.534 175.992 176.600 -0.124 0.000 1.302 119 K CA 0.945 56.968 56.287 -0.440 0.000 0.931 119 K CB -1.665 30.681 32.500 -0.258 0.000 1.257 119 K HN 0.589 nan 8.250 nan 0.000 0.454 120 D N 0.851 121.269 120.400 0.031 0.000 2.346 120 D HA 0.080 4.720 4.640 0.000 0.000 0.260 120 D C -1.434 175.052 176.300 0.311 0.000 1.252 120 D CA -2.071 52.016 54.000 0.145 0.000 0.895 120 D CB 1.093 41.953 40.800 0.101 0.000 1.097 120 D HN -0.100 nan 8.370 nan 0.000 0.489 121 P HA -0.148 nan 4.420 nan 0.000 0.221 121 P C 1.034 178.364 177.300 0.051 0.000 1.145 121 P CA 1.065 64.266 63.100 0.169 0.000 0.795 121 P CB 0.236 31.989 31.700 0.090 0.000 0.775 122 K N -0.277 120.164 120.400 0.068 0.000 2.025 122 K HA -0.087 4.233 4.320 0.000 0.000 0.207 122 K C 1.791 178.406 176.600 0.025 0.000 1.049 122 K CA 1.227 57.533 56.287 0.032 0.000 0.933 122 K CB -0.594 31.929 32.500 0.039 0.000 0.714 122 K HN -0.129 nan 8.250 nan 0.000 0.438 123 V N 0.486 120.448 119.914 0.079 0.000 2.295 123 V HA -0.164 3.956 4.120 0.000 0.000 0.246 123 V C 2.360 178.460 176.094 0.010 0.000 1.049 123 V CA 2.139 64.491 62.300 0.086 0.000 1.024 123 V CB -1.042 30.881 31.823 0.166 0.000 0.648 123 V HN 0.596 nan 8.190 nan 0.000 0.447 124 G N -0.212 108.509 108.800 -0.132 0.000 2.432 124 G HA2 -0.215 3.745 3.960 0.000 0.000 0.219 124 G HA3 -0.215 3.745 3.960 0.000 0.000 0.219 124 G C 1.748 176.440 174.900 -0.348 0.000 1.135 124 G CA 0.417 45.175 45.100 -0.570 0.000 0.767 124 G HN 0.299 nan 8.290 nan 0.000 0.550 125 R N 0.289 120.653 120.500 -0.227 0.000 2.073 125 R HA 0.023 4.363 4.340 0.000 0.000 0.229 125 R C 2.314 178.568 176.300 -0.077 0.000 1.120 125 R CA 1.119 57.133 56.100 -0.143 0.000 0.967 125 R CB -0.838 29.404 30.300 -0.097 0.000 0.862 125 R HN 0.562 nan 8.270 nan 0.000 0.436 126 E N 0.486 120.657 120.200 -0.047 0.000 2.058 126 E HA -0.183 4.167 4.350 0.000 0.000 0.194 126 E C 1.868 178.463 176.600 -0.007 0.000 0.997 126 E CA 1.344 57.734 56.400 -0.016 0.000 0.801 126 E CB -0.019 29.682 29.700 0.001 0.000 0.746 126 E HN 0.294 nan 8.360 nan 0.000 0.450 127 A N 0.973 123.787 122.820 -0.010 0.000 1.892 127 A HA -0.238 4.082 4.320 0.000 0.000 0.218 127 A C 2.158 179.760 177.584 0.030 0.000 1.188 127 A CA 1.795 53.838 52.037 0.010 0.000 0.631 127 A CB -0.766 18.242 19.000 0.013 0.000 0.822 127 A HN 0.335 nan 8.150 nan 0.000 0.447 128 I N -0.046 120.526 120.570 0.003 0.000 2.142 128 I HA -0.239 3.931 4.170 0.000 0.000 0.240 128 I C 2.873 179.052 176.117 0.104 0.000 1.078 128 I CA 1.926 63.269 61.300 0.072 0.000 1.343 128 I CB -0.629 37.341 38.000 -0.050 0.000 1.046 128 I HN 0.555 nan 8.210 nan 0.000 0.405 129 T N -2.543 112.030 114.554 0.032 0.000 2.915 129 T HA -0.077 4.273 4.350 0.000 0.000 0.269 129 T C 1.872 176.579 174.700 0.011 0.000 1.071 129 T CA 1.405 63.516 62.100 0.018 0.000 1.132 129 T CB -0.376 68.490 68.868 -0.003 0.000 0.878 129 T HN 0.178 nan 8.240 nan 0.000 0.479 130 S N 0.794 116.503 115.700 0.015 0.000 2.436 130 S HA 0.195 4.665 4.470 0.000 0.000 0.228 130 S C 1.710 176.314 174.600 0.007 0.000 1.014 130 S CA 0.470 58.677 58.200 0.010 0.000 0.950 130 S CB -0.224 62.984 63.200 0.013 0.000 0.784 130 S HN 0.419 nan 8.310 nan 0.000 0.504 131 I N 0.698 121.273 120.570 0.008 0.000 3.526 131 I HA 0.282 4.452 4.170 0.000 0.000 0.294 131 I C 1.600 177.626 176.117 -0.152 0.000 1.229 131 I CA 0.065 61.343 61.300 -0.037 0.000 1.408 131 I CB -0.070 37.923 38.000 -0.012 0.000 1.127 131 I HN 0.190 nan 8.210 nan 0.000 0.439 132 I N 0.401 120.866 120.570 -0.175 0.000 2.127 132 I HA -0.349 3.821 4.170 0.000 0.000 0.241 132 I C 2.058 177.999 176.117 -0.293 0.000 1.075 132 I CA 2.281 63.338 61.300 -0.406 0.000 1.334 132 I CB -0.084 37.774 38.000 -0.237 0.000 1.040 132 I HN 0.292 nan 8.210 nan 0.000 0.405 133 D N -0.496 119.816 120.400 -0.147 0.000 2.084 133 D HA -0.263 4.377 4.640 0.000 0.000 0.194 133 D C 2.129 178.386 176.300 -0.072 0.000 0.990 133 D CA 2.024 55.964 54.000 -0.100 0.000 0.826 133 D CB -0.062 40.703 40.800 -0.058 0.000 0.971 133 D HN 0.277 nan 8.370 nan 0.000 0.453 134 T N -1.044 113.495 114.554 -0.024 0.000 2.867 134 T HA -0.107 4.243 4.350 0.000 0.000 0.268 134 T C 1.821 176.633 174.700 0.187 0.000 1.057 134 T CA 0.754 62.894 62.100 0.067 0.000 1.136 134 T CB -0.390 68.556 68.868 0.130 0.000 0.874 134 T HN 0.083 nan 8.240 nan 0.000 0.466 135 L N 1.140 122.399 121.223 0.061 0.000 2.083 135 L HA 0.035 4.375 4.340 0.000 0.000 0.209 135 L C 2.307 179.159 176.870 -0.030 0.000 1.083 135 L CA 1.905 56.741 54.840 -0.006 0.000 0.752 135 L CB -0.498 41.267 42.059 -0.490 0.000 0.899 135 L HN 0.349 nan 8.230 nan 0.000 0.433 136 E N -1.775 118.347 120.200 -0.129 0.000 2.152 136 E HA -0.111 4.239 4.350 0.000 0.000 0.192 136 E C 1.567 178.137 176.600 -0.050 0.000 0.983 136 E CA 1.494 57.824 56.400 -0.116 0.000 0.818 136 E CB 0.057 29.673 29.700 -0.140 0.000 0.758 136 E HN 0.505 nan 8.360 nan 0.000 0.467 137 T N 0.320 114.853 114.554 -0.036 0.000 3.015 137 T HA 0.234 4.585 4.350 0.000 0.000 0.250 137 T C 0.664 175.310 174.700 -0.090 0.000 1.057 137 T CA 0.184 62.252 62.100 -0.054 0.000 1.066 137 T CB 0.382 69.213 68.868 -0.060 0.000 0.959 137 T HN 0.122 nan 8.240 nan 0.000 0.488 138 A N 1.928 124.682 122.820 -0.109 0.000 2.587 138 A HA 0.364 4.684 4.320 0.000 0.000 0.235 138 A C 0.588 177.940 177.584 -0.387 0.000 1.044 138 A CA 0.526 52.350 52.037 -0.355 0.000 0.754 138 A CB -0.102 18.510 19.000 -0.646 0.000 0.968 138 A HN 0.234 nan 8.150 nan 0.000 0.509 139 T N 1.284 115.494 114.554 -0.573 0.000 2.932 139 T HA 0.708 5.058 4.350 0.000 0.000 0.289 139 T C -1.226 173.021 174.700 -0.756 0.000 1.039 139 T CA -0.318 61.525 62.100 -0.428 0.000 1.024 139 T CB 0.244 68.981 68.868 -0.219 0.000 1.090 139 T HN 0.408 nan 8.240 nan 0.000 0.496 140 F N 2.409 122.294 119.950 -0.108 0.000 2.612 140 F HA 0.444 4.971 4.527 0.000 0.000 0.332 140 F C 0.196 175.955 175.800 -0.069 0.000 1.167 140 F CA -1.058 56.884 58.000 -0.097 0.000 0.970 140 F CB 1.686 40.598 39.000 -0.146 0.000 1.234 140 F HN 0.348 nan 8.300 nan 0.000 0.453 141 K N 4.233 124.675 120.400 0.069 0.000 2.401 141 K HA 0.259 4.580 4.320 0.000 0.000 0.278 141 K C -2.387 174.242 176.600 0.048 0.000 1.018 141 K CA -1.422 54.880 56.287 0.024 0.000 0.981 141 K CB 0.612 33.092 32.500 -0.033 0.000 0.933 141 K HN 0.186 nan 8.250 nan 0.000 0.477 142 P HA -0.039 nan 4.420 nan 0.000 0.257 142 P C -1.427 175.882 177.300 0.015 0.000 1.189 142 P CA 0.324 63.436 63.100 0.020 0.000 0.780 142 P CB 0.796 32.503 31.700 0.012 0.000 0.772 143 A N 3.371 126.204 122.820 0.022 0.000 2.602 143 A HA 0.715 5.035 4.320 0.000 0.000 0.290 143 A C 0.101 177.705 177.584 0.034 0.000 1.114 143 A CA -0.433 51.619 52.037 0.026 0.000 0.683 143 A CB 0.842 19.864 19.000 0.037 0.000 1.281 143 A HN 0.460 nan 8.150 nan 0.000 0.416 144 G N 1.023 109.854 108.800 0.052 0.000 2.195 144 G HA2 0.389 4.349 3.960 0.000 0.000 0.264 144 G HA3 0.389 4.349 3.960 0.000 0.000 0.264 144 G C -0.167 174.788 174.900 0.093 0.000 1.148 144 G CA 0.987 46.135 45.100 0.080 0.000 1.023 144 G HN 0.859 nan 8.290 nan 0.000 0.429 145 D N 1.033 121.419 120.400 -0.024 0.000 2.723 145 D HA -0.212 4.428 4.640 0.000 0.000 0.236 145 D C 1.362 177.595 176.300 -0.112 0.000 1.138 145 D CA 0.664 54.573 54.000 -0.152 0.000 0.676 145 D CB -0.662 39.973 40.800 -0.274 0.000 1.069 145 D HN 0.467 nan 8.370 nan 0.000 0.430 146 I N 0.419 120.938 120.570 -0.084 0.000 2.335 146 I HA -0.234 3.936 4.170 0.000 0.000 0.251 146 I C 2.151 178.117 176.117 -0.252 0.000 1.129 146 I CA 1.671 62.899 61.300 -0.121 0.000 1.402 146 I CB -0.099 37.856 38.000 -0.074 0.000 1.069 146 I HN 0.057 nan 8.210 nan 0.000 0.424 147 S N 0.384 115.962 115.700 -0.204 0.000 2.392 147 S HA -0.279 4.191 4.470 0.000 0.000 0.232 147 S C 2.057 176.548 174.600 -0.181 0.000 1.041 147 S CA 1.631 59.719 58.200 -0.187 0.000 1.026 147 S CB -0.373 62.763 63.200 -0.107 0.000 0.845 147 S HN 0.519 nan 8.310 nan 0.000 0.465 148 R N 0.168 120.553 120.500 -0.191 0.000 2.066 148 R HA -0.036 4.304 4.340 0.000 0.000 0.232 148 R C 2.739 178.925 176.300 -0.190 0.000 1.131 148 R CA 1.248 57.232 56.100 -0.193 0.000 0.955 148 R CB -0.793 29.233 30.300 -0.458 0.000 0.851 148 R HN 0.466 nan 8.270 nan 0.000 0.432 149 G N 1.211 109.818 108.800 -0.321 0.000 2.418 149 G HA2 -0.215 3.746 3.960 0.000 0.000 0.217 149 G HA3 -0.215 3.746 3.960 0.000 0.000 0.217 149 G C 1.464 176.059 174.900 -0.508 0.000 1.158 149 G CA 0.626 45.423 45.100 -0.505 0.000 0.771 149 G HN 0.144 nan 8.290 nan 0.000 0.545 150 I N 1.293 121.427 120.570 -0.728 0.000 2.179 150 I HA -0.093 4.077 4.170 0.000 0.000 0.242 150 I C 3.097 179.091 176.117 -0.205 0.000 1.088 150 I CA 1.112 61.947 61.300 -0.776 0.000 1.357 150 I CB -0.534 36.964 38.000 -0.836 0.000 1.051 150 I HN 0.233 nan 8.210 nan 0.000 0.409 151 G N 1.058 109.785 108.800 -0.122 0.000 2.418 151 G HA2 -0.257 3.703 3.960 0.000 0.000 0.217 151 G HA3 -0.257 3.703 3.960 0.000 0.000 0.217 151 G C 1.653 176.601 174.900 0.079 0.000 1.158 151 G CA 0.656 45.765 45.100 0.015 0.000 0.771 151 G HN 0.271 nan 8.290 nan 0.000 0.545 152 L N -0.477 120.796 121.223 0.084 0.000 2.093 152 L HA 0.177 4.517 4.340 0.000 0.000 0.208 152 L C 2.359 179.357 176.870 0.214 0.000 1.085 152 L CA 1.388 56.314 54.840 0.143 0.000 0.755 152 L CB -0.664 41.494 42.059 0.166 0.000 0.904 152 L HN 0.190 nan 8.230 nan 0.000 0.435 153 F N -0.276 119.724 119.950 0.083 0.000 2.186 153 F HA -0.201 4.326 4.527 0.000 0.000 0.299 153 F C 2.230 178.129 175.800 0.166 0.000 1.090 153 F CA 1.743 59.830 58.000 0.146 0.000 1.307 153 F CB -0.209 38.925 39.000 0.223 0.000 1.019 153 F HN 0.088 nan 8.300 nan 0.000 0.489 154 M N -0.917 118.802 119.600 0.199 0.000 2.117 154 M HA -0.219 4.261 4.480 0.000 0.000 0.262 154 M C 2.089 178.500 176.300 0.186 0.000 1.065 154 M CA 1.528 56.965 55.300 0.228 0.000 1.114 154 M CB -0.643 32.077 32.600 0.200 0.000 1.361 154 M HN -0.011 nan 8.290 nan 0.000 0.408 155 V N 0.169 120.164 119.914 0.136 0.000 2.332 155 V HA -0.288 3.832 4.120 0.000 0.000 0.248 155 V C 2.311 178.466 176.094 0.101 0.000 1.055 155 V CA 2.333 64.723 62.300 0.149 0.000 1.038 155 V CB -1.098 30.852 31.823 0.211 0.000 0.651 155 V HN 0.534 nan 8.190 nan 0.000 0.450 156 T N 0.363 114.943 114.554 0.043 0.000 2.635 156 T HA -0.186 4.164 4.350 0.000 0.000 0.267 156 T C 1.906 176.605 174.700 -0.002 0.000 1.040 156 T CA 1.768 63.849 62.100 -0.032 0.000 1.156 156 T CB -0.805 68.005 68.868 -0.097 0.000 0.863 156 T HN 0.631 nan 8.240 nan 0.000 0.430 157 G N 0.957 109.788 108.800 0.052 0.000 2.422 157 G HA2 -0.053 3.907 3.960 0.000 0.000 0.218 157 G HA3 -0.053 3.907 3.960 0.000 0.000 0.218 157 G C 1.824 177.059 174.900 0.559 0.000 1.146 157 G CA 0.958 46.252 45.100 0.324 0.000 0.769 157 G HN 0.602 nan 8.290 nan 0.000 0.547 158 A N 0.687 123.700 122.820 0.322 0.000 1.902 158 A HA 0.059 4.379 4.320 0.000 0.000 0.217 158 A C 2.390 179.962 177.584 -0.019 0.000 1.181 158 A CA 1.248 53.315 52.037 0.050 0.000 0.623 158 A CB -0.333 18.586 19.000 -0.134 0.000 0.818 158 A HN 0.377 nan 8.150 nan 0.000 0.443 159 I N -0.440 120.040 120.570 -0.149 0.000 2.179 159 I HA -0.235 3.935 4.170 0.000 0.000 0.242 159 I C 2.370 178.267 176.117 -0.366 0.000 1.088 159 I CA 1.331 62.299 61.300 -0.553 0.000 1.357 159 I CB -0.334 37.273 38.000 -0.655 0.000 1.051 159 I HN 0.165 nan 8.210 nan 0.000 0.409 160 V N -0.071 119.793 119.914 -0.083 0.000 2.295 160 V HA -0.336 3.784 4.120 0.000 0.000 0.246 160 V C 2.252 178.355 176.094 0.016 0.000 1.049 160 V CA 1.992 64.305 62.300 0.021 0.000 1.024 160 V CB -0.874 31.011 31.823 0.103 0.000 0.648 160 V HN 0.382 nan 8.190 nan 0.000 0.447 161 Y N 1.229 121.487 120.300 -0.069 0.000 2.097 161 Y HA -0.329 4.221 4.550 0.000 0.000 0.282 161 Y C 2.487 178.397 175.900 0.017 0.000 1.152 161 Y CA 2.443 60.448 58.100 -0.158 0.000 1.136 161 Y CB -0.195 38.270 38.460 0.010 0.000 0.975 161 Y HN 0.424 nan 8.280 nan 0.000 0.498 162 D N -1.222 119.381 120.400 0.339 0.000 2.103 162 D HA -0.200 4.440 4.640 0.000 0.000 0.199 162 D C 1.697 178.297 176.300 0.500 0.000 0.978 162 D CA 1.692 55.949 54.000 0.428 0.000 0.829 162 D CB -0.424 40.615 40.800 0.399 0.000 0.981 162 D HN 0.339 nan 8.370 nan 0.000 0.464 163 W N 0.159 121.559 121.300 0.167 0.000 2.436 163 W HA 0.105 4.765 4.660 0.000 0.000 0.284 163 W C 1.620 178.284 176.519 0.243 0.000 1.225 163 W CA 0.001 57.465 57.345 0.198 0.000 1.271 163 W CB -0.890 28.682 29.460 0.186 0.000 1.114 163 W HN 0.135 nan 8.180 nan 0.000 0.559 164 C N -0.882 118.587 119.300 0.280 0.000 2.668 164 C HA 0.181 4.642 4.460 0.000 0.000 0.301 164 C C 1.964 176.881 174.990 -0.122 0.000 1.351 164 C CA -1.040 57.957 59.018 -0.035 0.000 1.757 164 C CB -2.285 25.291 27.740 -0.273 0.000 2.179 164 C HN 0.277 nan 8.230 nan 0.000 0.586 165 Y N 3.824 124.032 120.300 -0.154 0.000 2.114 165 Y HA -0.269 4.281 4.550 0.000 0.000 0.282 165 Y C 2.137 177.868 175.900 -0.281 0.000 1.165 165 Y CA 2.558 60.428 58.100 -0.384 0.000 1.148 165 Y CB -0.056 38.026 38.460 -0.629 0.000 0.972 165 Y HN 0.492 nan 8.280 nan 0.000 0.504 166 D N -1.171 119.211 120.400 -0.030 0.000 2.378 166 D HA -0.139 4.501 4.640 0.000 0.000 0.222 166 D C 1.340 177.555 176.300 -0.142 0.000 0.980 166 D CA 0.769 54.736 54.000 -0.054 0.000 0.907 166 D CB -0.395 40.483 40.800 0.130 0.000 0.899 166 D HN 0.388 nan 8.370 nan 0.000 0.527 167 Q N -0.090 119.573 119.800 -0.227 0.000 2.402 167 Q HA 0.237 4.577 4.340 0.000 0.000 0.206 167 Q C 0.804 176.628 176.000 -0.292 0.000 0.919 167 Q CA -0.087 55.565 55.803 -0.252 0.000 0.923 167 Q CB 0.526 29.043 28.738 -0.368 0.000 1.048 167 Q HN 0.396 nan 8.270 nan 0.000 0.515 168 L N 2.119 123.088 121.223 -0.423 0.000 2.490 168 L HA 0.004 4.344 4.340 0.000 0.000 0.274 168 L C 0.473 177.146 176.870 -0.328 0.000 1.201 168 L CA 0.439 55.010 54.840 -0.448 0.000 0.869 168 L CB 0.299 41.925 42.059 -0.722 0.000 1.123 168 L HN -0.181 nan 8.230 nan 0.000 0.484 169 K N 4.801 125.070 120.400 -0.218 0.000 2.144 169 K HA 0.234 4.554 4.320 0.000 0.000 0.270 169 K C -1.500 175.022 176.600 -0.130 0.000 1.005 169 K CA -1.639 54.561 56.287 -0.145 0.000 0.932 169 K CB 0.926 33.373 32.500 -0.088 0.000 1.021 169 K HN 0.315 nan 8.250 nan 0.000 0.462 170 P HA -0.222 nan 4.420 nan 0.000 0.216 170 P C 0.251 177.542 177.300 -0.015 0.000 1.150 170 P CA 1.641 64.708 63.100 -0.055 0.000 0.843 170 P CB 0.259 31.941 31.700 -0.030 0.000 0.787 171 E N 0.387 120.581 120.200 -0.010 0.000 2.150 171 E HA -0.143 4.207 4.350 0.000 0.000 0.193 171 E C 2.022 178.645 176.600 0.038 0.000 0.985 171 E CA 0.974 57.382 56.400 0.013 0.000 0.814 171 E CB -0.807 28.896 29.700 0.004 0.000 0.752 171 E HN 0.445 nan 8.360 nan 0.000 0.466 172 E N 1.139 121.358 120.200 0.032 0.000 2.107 172 E HA -0.101 4.249 4.350 0.000 0.000 0.191 172 E C 1.814 178.545 176.600 0.219 0.000 0.982 172 E CA 0.778 57.247 56.400 0.114 0.000 0.809 172 E CB -0.032 29.709 29.700 0.068 0.000 0.756 172 E HN 0.189 nan 8.360 nan 0.000 0.459 173 K N 0.303 120.747 120.400 0.072 0.000 2.032 173 K HA -0.127 4.193 4.320 0.000 0.000 0.209 173 K C 2.283 179.065 176.600 0.304 0.000 1.048 173 K CA 1.720 58.111 56.287 0.173 0.000 0.927 173 K CB -0.274 32.259 32.500 0.055 0.000 0.712 173 K HN 0.085 nan 8.250 nan 0.000 0.441 174 T N 1.043 115.701 114.554 0.172 0.000 2.746 174 T HA -0.123 4.227 4.350 0.000 0.000 0.267 174 T C 1.870 176.630 174.700 0.099 0.000 1.039 174 T CA 1.187 63.361 62.100 0.123 0.000 1.142 174 T CB -0.141 68.771 68.868 0.074 0.000 0.866 174 T HN 0.250 nan 8.240 nan 0.000 0.444 175 R N -0.153 120.409 120.500 0.104 0.000 2.081 175 R HA -0.002 4.338 4.340 0.000 0.000 0.235 175 R C 2.207 178.492 176.300 -0.024 0.000 1.131 175 R CA 1.259 57.374 56.100 0.025 0.000 0.960 175 R CB -0.464 29.839 30.300 0.006 0.000 0.856 175 R HN 0.329 nan 8.270 nan 0.000 0.436 176 F N 0.228 120.158 119.950 -0.034 0.000 2.102 176 F HA -0.220 4.307 4.527 0.000 0.000 0.298 176 F C 2.415 178.120 175.800 -0.159 0.000 1.105 176 F CA 1.249 59.178 58.000 -0.120 0.000 1.239 176 F CB -0.538 38.613 39.000 0.252 0.000 0.991 176 F HN -0.229 nan 8.300 nan 0.000 0.474 177 V N 0.199 120.244 119.914 0.219 0.000 2.252 177 V HA -0.332 3.788 4.120 0.000 0.000 0.249 177 V C 2.408 178.421 176.094 -0.134 0.000 1.056 177 V CA 1.834 64.165 62.300 0.050 0.000 1.022 177 V CB -0.567 31.224 31.823 -0.053 0.000 0.641 177 V HN 0.214 nan 8.190 nan 0.000 0.445 178 K N 0.434 120.754 120.400 -0.134 0.000 2.148 178 K HA -0.003 4.317 4.320 0.000 0.000 0.204 178 K C 2.212 178.724 176.600 -0.148 0.000 1.050 178 K CA 1.494 57.691 56.287 -0.150 0.000 0.942 178 K CB -0.951 31.491 32.500 -0.097 0.000 0.724 178 K HN 0.496 nan 8.250 nan 0.000 0.446 179 A N 0.512 123.209 122.820 -0.205 0.000 1.898 179 A HA -0.057 4.263 4.320 0.000 0.000 0.216 179 A C 2.164 179.625 177.584 -0.204 0.000 1.181 179 A CA 0.994 52.877 52.037 -0.256 0.000 0.620 179 A CB -0.750 17.985 19.000 -0.441 0.000 0.819 179 A HN 0.229 nan 8.150 nan 0.000 0.442 180 F N -0.315 119.561 119.950 -0.124 0.000 2.171 180 F HA -0.161 4.366 4.527 0.000 0.000 0.300 180 F C 2.398 178.062 175.800 -0.226 0.000 1.090 180 F CA 1.068 58.983 58.000 -0.141 0.000 1.293 180 F CB -0.169 38.743 39.000 -0.146 0.000 1.013 180 F HN 0.039 nan 8.300 nan 0.000 0.486 181 V N 0.226 120.069 119.914 -0.119 0.000 2.358 181 V HA -0.288 3.832 4.120 0.000 0.000 0.246 181 V C 2.408 178.413 176.094 -0.148 0.000 1.047 181 V CA 1.930 64.061 62.300 -0.282 0.000 1.035 181 V CB -0.669 30.985 31.823 -0.281 0.000 0.658 181 V HN 0.262 nan 8.190 nan 0.000 0.452 182 R N -0.065 120.389 120.500 -0.076 0.000 2.083 182 R HA -0.166 4.174 4.340 0.000 0.000 0.237 182 R C 2.296 178.600 176.300 0.007 0.000 1.137 182 R CA 1.830 57.917 56.100 -0.022 0.000 0.951 182 R CB -0.317 29.970 30.300 -0.021 0.000 0.851 182 R HN 0.443 nan 8.270 nan 0.000 0.434 183 L N 0.120 121.357 121.223 0.024 0.000 2.056 183 L HA -0.090 4.250 4.340 0.000 0.000 0.207 183 L C 2.746 179.623 176.870 0.012 0.000 1.078 183 L CA 1.152 56.025 54.840 0.056 0.000 0.749 183 L CB -0.539 41.605 42.059 0.142 0.000 0.901 183 L HN 0.350 nan 8.230 nan 0.000 0.433 184 A N 0.211 123.019 122.820 -0.020 0.000 1.933 184 A HA -0.233 4.087 4.320 0.000 0.000 0.218 184 A C 2.253 179.871 177.584 0.056 0.000 1.175 184 A CA 1.665 53.683 52.037 -0.032 0.000 0.628 184 A CB -0.372 18.478 19.000 -0.250 0.000 0.814 184 A HN 0.301 nan 8.150 nan 0.000 0.444 185 K N -0.905 119.532 120.400 0.060 0.000 2.360 185 K HA -0.005 4.315 4.320 0.000 0.000 0.201 185 K C 1.749 178.393 176.600 0.074 0.000 1.046 185 K CA 1.264 57.625 56.287 0.124 0.000 0.945 185 K CB -0.223 32.345 32.500 0.113 0.000 0.750 185 K HN 0.559 nan 8.250 nan 0.000 0.464 186 M N 0.492 120.110 119.600 0.029 0.000 2.419 186 M HA 0.004 4.484 4.480 0.000 0.000 0.264 186 M C 0.337 176.624 176.300 -0.021 0.000 1.082 186 M CA 0.536 55.831 55.300 -0.008 0.000 1.119 186 M CB 0.004 32.568 32.600 -0.061 0.000 1.398 186 M HN 0.024 nan 8.290 nan 0.000 0.453 187 L N 0.748 121.971 121.223 0.001 0.000 2.483 187 L HA -0.043 4.297 4.340 0.000 0.000 0.276 187 L C 1.659 178.550 176.870 0.035 0.000 1.213 187 L CA 0.044 54.888 54.840 0.007 0.000 0.843 187 L CB 0.235 42.321 42.059 0.045 0.000 1.107 187 L HN 0.220 nan 8.230 nan 0.000 0.487 188 E N 0.951 121.170 120.200 0.031 0.000 2.153 188 E HA -0.214 4.136 4.350 0.000 0.000 0.194 188 E C 1.962 178.608 176.600 0.077 0.000 0.988 188 E CA 1.684 58.116 56.400 0.054 0.000 0.811 188 E CB 0.105 29.846 29.700 0.069 0.000 0.746 188 E HN 0.948 nan 8.360 nan 0.000 0.466 189 C N -0.624 118.731 119.300 0.091 0.000 2.456 189 C HA 0.383 4.843 4.460 0.000 0.000 0.279 189 C C 1.366 176.411 174.990 0.092 0.000 1.427 189 C CA -0.071 59.007 59.018 0.099 0.000 1.778 189 C CB -1.493 26.319 27.740 0.120 0.000 1.842 189 C HN 0.499 nan 8.230 nan 0.000 0.531 190 G N -0.437 108.423 108.800 0.099 0.000 2.814 190 G HA2 -0.108 3.852 3.960 0.000 0.000 0.677 190 G HA3 -0.108 3.852 3.960 0.000 0.000 0.677 190 G C -1.108 173.902 174.900 0.184 0.000 1.429 190 G CA 0.054 45.223 45.100 0.114 0.000 0.868 190 G HN 1.311 nan 8.290 nan 0.000 0.553 191 Y N 1.319 121.653 120.300 0.056 0.000 2.322 191 Y HA 0.572 5.122 4.550 0.000 0.000 0.324 191 Y C -2.055 173.887 175.900 0.071 0.000 1.027 191 Y CA -1.850 56.292 58.100 0.071 0.000 1.179 191 Y CB 1.804 40.315 38.460 0.085 0.000 1.136 191 Y HN 0.619 nan 8.280 nan 0.000 0.449 192 P HA 0.093 nan 4.420 nan 0.000 0.267 192 P C -2.658 174.565 177.300 -0.129 0.000 1.200 192 P CA -1.006 61.831 63.100 -0.439 0.000 0.772 192 P CB 0.295 31.831 31.700 -0.272 0.000 0.855 193 P HA 0.002 nan 4.420 nan 0.000 0.230 193 P C 0.543 177.864 177.300 0.035 0.000 1.791 193 P CA 0.049 63.177 63.100 0.047 0.000 1.020 193 P CB -0.243 31.511 31.700 0.090 0.000 1.977 194 V N -1.659 118.267 119.914 0.019 0.000 3.644 194 V HA 0.226 4.346 4.120 0.000 0.000 0.267 194 V C 0.699 176.809 176.094 0.027 0.000 1.277 194 V CA 0.366 62.675 62.300 0.015 0.000 1.096 194 V CB -0.396 31.423 31.823 -0.006 0.000 0.828 194 V HN -0.032 nan 8.190 nan 0.000 0.446 195 K N 1.150 121.574 120.400 0.040 0.000 2.098 195 K HA 0.394 4.715 4.320 0.000 0.000 0.244 195 K C -0.112 176.516 176.600 0.046 0.000 1.014 195 K CA -0.074 56.236 56.287 0.038 0.000 0.917 195 K CB 0.631 33.157 32.500 0.043 0.000 1.072 195 K HN 0.388 nan 8.250 nan 0.000 0.477 196 D N -0.062 120.355 120.400 0.028 0.000 3.856 196 D HA -0.158 4.482 4.640 0.000 0.000 0.276 196 D C -0.547 175.753 176.300 0.001 0.000 2.073 196 D CA 0.896 54.905 54.000 0.016 0.000 1.163 196 D CB -0.274 40.553 40.800 0.045 0.000 0.937 196 D HN 0.351 nan 8.370 nan 0.000 1.140 197 K N -0.225 120.165 120.400 -0.017 0.000 2.328 197 K HA 0.634 4.954 4.320 0.000 0.000 0.246 197 K C 0.202 176.740 176.600 -0.103 0.000 0.955 197 K CA -0.689 55.560 56.287 -0.063 0.000 0.817 197 K CB 1.809 34.257 32.500 -0.087 0.000 1.208 197 K HN 0.262 nan 8.250 nan 0.000 0.432 198 S N 0.681 116.251 115.700 -0.218 0.000 2.556 198 S HA 0.179 4.649 4.470 0.000 0.000 0.216 198 S C 1.514 175.841 174.600 -0.456 0.000 0.970 198 S CA 0.011 57.868 58.200 -0.571 0.000 0.912 198 S CB -0.050 62.830 63.200 -0.532 0.000 0.790 198 S HN 0.485 nan 8.310 nan 0.000 0.504 199 I N 0.378 120.855 120.570 -0.155 0.000 3.883 199 I HA 0.188 4.359 4.170 0.000 0.000 0.305 199 I C 0.679 176.908 176.117 0.186 0.000 1.247 199 I CA 0.014 61.345 61.300 0.051 0.000 1.350 199 I CB 0.442 38.490 38.000 0.080 0.000 1.194 199 I HN 0.153 nan 8.210 nan 0.000 0.441 200 V N -1.685 118.282 119.914 0.088 0.000 3.119 200 V HA 0.963 5.083 4.120 0.000 0.000 0.309 200 V C 0.385 176.482 176.094 0.006 0.000 1.304 200 V CA -0.230 62.133 62.300 0.105 0.000 1.057 200 V CB 0.591 32.461 31.823 0.078 0.000 1.150 200 V HN 0.400 nan 8.190 nan 0.000 0.474 201 G N -0.498 108.252 108.800 -0.083 0.000 2.752 201 G HA2 -0.233 3.728 3.960 0.000 0.000 0.234 201 G HA3 -0.233 3.728 3.960 0.000 0.000 0.234 201 G C 0.102 174.965 174.900 -0.062 0.000 1.367 201 G CA 0.930 45.905 45.100 -0.209 0.000 0.879 201 G HN 1.432 nan 8.290 nan 0.000 0.563 202 H N 0.007 119.073 119.070 -0.007 0.000 2.423 202 H HA 0.153 4.709 4.556 0.000 0.000 0.297 202 H C 2.893 178.272 175.328 0.085 0.000 1.075 202 H CA 1.489 57.559 56.048 0.037 0.000 1.342 202 H CB 0.017 29.789 29.762 0.016 0.000 1.395 202 H HN 0.718 nan 8.280 nan 0.000 0.530 203 A N 0.220 123.158 122.820 0.197 0.000 2.209 203 A HA -0.033 4.287 4.320 0.000 0.000 0.212 203 A C 1.752 179.530 177.584 0.324 0.000 1.158 203 A CA 0.918 53.089 52.037 0.225 0.000 0.742 203 A CB -0.016 19.099 19.000 0.192 0.000 0.790 203 A HN 0.221 nan 8.150 nan 0.000 0.472 204 S N -0.178 115.671 115.700 0.248 0.000 2.582 204 S HA 0.171 4.641 4.470 0.000 0.000 0.234 204 S C 0.577 175.293 174.600 0.192 0.000 0.961 204 S CA -0.185 58.185 58.200 0.284 0.000 0.953 204 S CB 0.036 63.370 63.200 0.223 0.000 0.800 204 S HN 0.711 nan 8.310 nan 0.000 0.471 205 E N -0.311 119.969 120.200 0.134 0.000 3.666 205 E HA 0.214 4.564 4.350 0.000 0.000 0.299 205 E C 0.433 176.983 176.600 -0.084 0.000 0.666 205 E CA -0.691 55.678 56.400 -0.051 0.000 1.878 205 E CB 0.024 29.744 29.700 0.033 0.000 2.004 205 E HN 0.332 nan 8.360 nan 0.000 0.422 206 W N 1.649 123.006 121.300 0.096 0.000 2.453 206 W HA -0.047 4.613 4.660 0.000 0.000 0.289 206 W C 2.519 179.050 176.519 0.019 0.000 1.215 206 W CA 0.802 58.163 57.345 0.027 0.000 1.297 206 W CB -0.327 29.168 29.460 0.058 0.000 1.113 206 W HN 0.411 nan 8.180 nan 0.000 0.551 207 M N -0.854 118.904 119.600 0.265 0.000 2.144 207 M HA -0.152 4.328 4.480 0.000 0.000 0.260 207 M C 1.491 177.863 176.300 0.121 0.000 1.067 207 M CA 2.024 57.427 55.300 0.172 0.000 1.095 207 M CB -0.958 31.726 32.600 0.141 0.000 1.365 207 M HN 0.092 nan 8.290 nan 0.000 0.406 208 I N -0.459 120.169 120.570 0.096 0.000 2.899 208 I HA 0.007 4.177 4.170 0.000 0.000 0.257 208 I C 2.527 178.626 176.117 -0.032 0.000 1.115 208 I CA 0.494 61.808 61.300 0.023 0.000 1.451 208 I CB -0.175 37.805 38.000 -0.033 0.000 1.251 208 I HN 0.205 nan 8.210 nan 0.000 0.456 209 M N 0.237 119.818 119.600 -0.031 0.000 2.296 209 M HA -0.150 4.330 4.480 0.000 0.000 0.265 209 M C 2.328 178.616 176.300 -0.020 0.000 1.064 209 M CA 1.667 56.919 55.300 -0.080 0.000 1.109 209 M CB -0.141 32.478 32.600 0.031 0.000 1.396 209 M HN 0.195 nan 8.290 nan 0.000 0.430 210 R N -0.119 120.398 120.500 0.028 0.000 2.076 210 R HA -0.025 4.315 4.340 0.000 0.000 0.203 210 R C 1.423 177.779 176.300 0.093 0.000 1.229 210 R CA 0.771 56.895 56.100 0.040 0.000 1.094 210 R CB 0.181 30.390 30.300 -0.152 0.000 0.991 210 R HN 0.112 nan 8.270 nan 0.000 0.471 211 D N 1.057 121.515 120.400 0.096 0.000 2.085 211 D HA -0.139 4.501 4.640 0.000 0.000 0.199 211 D C 1.844 178.183 176.300 0.065 0.000 0.981 211 D CA 0.922 54.982 54.000 0.099 0.000 0.834 211 D CB -0.305 40.561 40.800 0.110 0.000 0.992 211 D HN 0.126 nan 8.370 nan 0.000 0.457 212 L N 0.611 121.870 121.223 0.061 0.000 2.093 212 L HA -0.055 4.285 4.340 0.000 0.000 0.208 212 L C 2.103 178.996 176.870 0.037 0.000 1.085 212 L CA 0.996 55.867 54.840 0.052 0.000 0.755 212 L CB -0.513 41.601 42.059 0.091 0.000 0.904 212 L HN -0.011 nan 8.230 nan 0.000 0.435 213 L N -1.391 119.848 121.223 0.026 0.000 2.046 213 L HA -0.163 4.177 4.340 0.000 0.000 0.208 213 L C 2.473 179.386 176.870 0.072 0.000 1.077 213 L CA 1.867 56.720 54.840 0.021 0.000 0.747 213 L CB -0.753 41.275 42.059 -0.052 0.000 0.896 213 L HN 0.238 nan 8.230 nan 0.000 0.432 214 S N -1.130 114.619 115.700 0.082 0.000 2.356 214 S HA -0.164 4.306 4.470 0.000 0.000 0.223 214 S C 1.948 176.508 174.600 -0.068 0.000 1.032 214 S CA 1.484 59.721 58.200 0.061 0.000 1.005 214 S CB -0.440 62.874 63.200 0.190 0.000 0.867 214 S HN 0.345 nan 8.310 nan 0.000 0.449 215 V N 1.747 121.575 119.914 -0.142 0.000 2.295 215 V HA -0.160 3.960 4.120 0.000 0.000 0.246 215 V C 2.669 178.618 176.094 -0.241 0.000 1.049 215 V CA 1.949 64.011 62.300 -0.396 0.000 1.024 215 V CB -1.645 29.832 31.823 -0.576 0.000 0.648 215 V HN 0.583 nan 8.190 nan 0.000 0.447 216 G N 0.110 108.893 108.800 -0.029 0.000 2.513 216 G HA2 -0.287 3.673 3.960 0.000 0.000 0.219 216 G HA3 -0.287 3.673 3.960 0.000 0.000 0.219 216 G C 1.580 176.594 174.900 0.189 0.000 1.160 216 G CA 1.411 46.609 45.100 0.164 0.000 0.767 216 G HN 0.498 nan 8.290 nan 0.000 0.571 217 I N 1.393 122.045 120.570 0.138 0.000 2.226 217 I HA -0.192 3.978 4.170 0.000 0.000 0.245 217 I C 3.313 179.430 176.117 0.000 0.000 1.100 217 I CA 1.029 62.329 61.300 0.001 0.000 1.374 217 I CB -0.264 37.737 38.000 0.001 0.000 1.057 217 I HN 0.261 nan 8.210 nan 0.000 0.413 218 A N 1.398 124.210 122.820 -0.013 0.000 1.877 218 A HA -0.173 4.147 4.320 0.000 0.000 0.216 218 A C 2.144 179.791 177.584 0.105 0.000 1.186 218 A CA 1.984 54.062 52.037 0.067 0.000 0.620 218 A CB -0.864 18.105 19.000 -0.050 0.000 0.822 218 A HN 0.630 nan 8.150 nan 0.000 0.443 219 I N -4.460 116.037 120.570 -0.122 0.000 3.861 219 I HA 0.237 4.407 4.170 0.000 0.000 0.329 219 I C 1.750 177.965 176.117 0.162 0.000 1.321 219 I CA -0.012 61.211 61.300 -0.129 0.000 1.126 219 I CB -0.219 37.573 38.000 -0.346 0.000 1.018 219 I HN 0.249 nan 8.210 nan 0.000 0.407 220 Y N 2.620 122.944 120.300 0.041 0.000 2.207 220 Y HA -0.272 4.278 4.550 0.000 0.000 0.287 220 Y C 1.867 177.793 175.900 0.043 0.000 1.156 220 Y CA 1.957 60.057 58.100 0.001 0.000 1.182 220 Y CB -0.125 38.233 38.460 -0.171 0.000 0.979 220 Y HN 0.271 nan 8.280 nan 0.000 0.521 221 D N -0.270 120.207 120.400 0.128 0.000 2.264 221 D HA -0.111 4.529 4.640 0.000 0.000 0.208 221 D C 1.627 177.985 176.300 0.097 0.000 0.966 221 D CA 1.422 55.471 54.000 0.083 0.000 0.864 221 D CB 0.016 40.938 40.800 0.204 0.000 0.933 221 D HN 0.503 nan 8.370 nan 0.000 0.499 222 E N -1.339 118.970 120.200 0.183 0.000 2.330 222 E HA 0.192 4.542 4.350 0.000 0.000 0.200 222 E C -0.170 176.576 176.600 0.244 0.000 0.922 222 E CA 0.006 56.540 56.400 0.224 0.000 0.935 222 E CB 0.585 30.483 29.700 0.330 0.000 0.917 222 E HN 0.078 nan 8.360 nan 0.000 0.491 223 F N 0.814 120.772 119.950 0.013 0.000 3.050 223 F HA 0.340 4.867 4.527 0.000 0.000 0.382 223 F C -2.462 173.327 175.800 -0.019 0.000 1.246 223 F CA -2.344 55.663 58.000 0.012 0.000 1.217 223 F CB 1.729 40.764 39.000 0.059 0.000 1.795 223 F HN -0.117 nan 8.300 nan 0.000 0.622 224 P HA -0.102 nan 4.420 nan 0.000 0.229 224 P C 1.475 178.691 177.300 -0.139 0.000 1.160 224 P CA 0.863 63.743 63.100 -0.367 0.000 0.777 224 P CB 0.222 31.555 31.700 -0.611 0.000 0.814 225 E N -0.159 119.773 120.200 -0.446 0.000 2.097 225 E HA -0.231 4.119 4.350 0.000 0.000 0.196 225 E C 1.872 178.468 176.600 -0.006 0.000 1.000 225 E CA 1.238 57.432 56.400 -0.342 0.000 0.804 225 E CB -0.390 28.876 29.700 -0.723 0.000 0.740 225 E HN 0.138 nan 8.360 nan 0.000 0.454 226 M N -0.425 119.269 119.600 0.157 0.000 2.086 226 M HA -0.202 4.278 4.480 0.000 0.000 0.261 226 M C 2.174 178.641 176.300 0.279 0.000 1.067 226 M CA 1.651 57.184 55.300 0.388 0.000 1.116 226 M CB -0.274 32.579 32.600 0.423 0.000 1.348 226 M HN 0.241 nan 8.290 nan 0.000 0.407 227 Y N 1.262 121.664 120.300 0.171 0.000 2.145 227 Y HA -0.293 4.257 4.550 0.000 0.000 0.286 227 Y C 1.974 177.945 175.900 0.120 0.000 1.145 227 Y CA 2.169 60.355 58.100 0.144 0.000 1.148 227 Y CB -0.433 38.147 38.460 0.200 0.000 0.981 227 Y HN 0.368 nan 8.280 nan 0.000 0.507 228 N N 0.393 119.227 118.700 0.224 0.000 2.149 228 N HA -0.184 4.556 4.740 0.000 0.000 0.188 228 N C 1.836 177.345 175.510 -0.003 0.000 1.019 228 N CA 1.800 54.904 53.050 0.090 0.000 0.857 228 N CB -0.495 38.056 38.487 0.107 0.000 0.997 228 N HN 0.432 nan 8.380 nan 0.000 0.426 229 L N 0.032 121.266 121.223 0.018 0.000 2.095 229 L HA 0.041 4.381 4.340 0.000 0.000 0.204 229 L C 2.383 179.256 176.870 0.006 0.000 1.080 229 L CA 0.898 55.738 54.840 -0.001 0.000 0.759 229 L CB -0.403 41.638 42.059 -0.029 0.000 0.914 229 L HN 0.084 nan 8.230 nan 0.000 0.439 230 A N 0.110 122.937 122.820 0.012 0.000 1.854 230 A HA -0.060 4.260 4.320 0.000 0.000 0.214 230 A C 2.474 180.018 177.584 -0.066 0.000 1.192 230 A CA 1.517 53.548 52.037 -0.009 0.000 0.611 230 A CB -0.774 18.233 19.000 0.011 0.000 0.832 230 A HN 0.340 nan 8.150 nan 0.000 0.442 231 A N -0.463 122.221 122.820 -0.226 0.000 1.969 231 A HA 0.194 4.514 4.320 0.000 0.000 0.218 231 A C 2.357 180.014 177.584 0.121 0.000 1.169 231 A CA 1.767 53.711 52.037 -0.156 0.000 0.635 231 A CB -1.349 17.181 19.000 -0.783 0.000 0.810 231 A HN 0.708 nan 8.150 nan 0.000 0.445 232 G N -0.221 108.575 108.800 -0.007 0.000 2.514 232 G HA2 -0.318 3.642 3.960 0.000 0.000 0.217 232 G HA3 -0.318 3.642 3.960 0.000 0.000 0.217 232 G C 1.766 176.725 174.900 0.098 0.000 1.198 232 G CA 1.185 46.316 45.100 0.051 0.000 0.780 232 G HN 0.555 nan 8.290 nan 0.000 0.565 233 R N -0.719 119.828 120.500 0.078 0.000 2.081 233 R HA -0.066 4.274 4.340 0.000 0.000 0.235 233 R C 2.322 178.707 176.300 0.141 0.000 1.131 233 R CA 1.455 57.617 56.100 0.103 0.000 0.960 233 R CB -0.474 29.890 30.300 0.106 0.000 0.856 233 R HN 0.360 nan 8.270 nan 0.000 0.436 234 F N 0.459 120.369 119.950 -0.066 0.000 2.069 234 F HA -0.221 4.306 4.527 0.000 0.000 0.298 234 F C 1.595 177.299 175.800 -0.159 0.000 1.113 234 F CA 1.742 59.629 58.000 -0.187 0.000 1.214 234 F CB -0.517 38.270 39.000 -0.354 0.000 0.978 234 F HN -0.036 nan 8.300 nan 0.000 0.474 235 F N 0.644 120.535 119.950 -0.098 0.000 2.234 235 F HA -0.097 4.430 4.527 0.000 0.000 0.299 235 F C 2.518 178.211 175.800 -0.178 0.000 1.087 235 F CA 1.717 59.606 58.000 -0.185 0.000 1.340 235 F CB -0.575 38.419 39.000 -0.009 0.000 1.031 235 F HN -0.048 nan 8.300 nan 0.000 0.500 236 K N 0.105 120.538 120.400 0.054 0.000 2.116 236 K HA -0.106 4.214 4.320 0.000 0.000 0.203 236 K C 1.367 177.928 176.600 -0.064 0.000 1.052 236 K CA 1.630 57.920 56.287 0.005 0.000 0.952 236 K CB 0.154 32.669 32.500 0.024 0.000 0.729 236 K HN 0.306 nan 8.250 nan 0.000 0.446 237 E N -1.622 118.536 120.200 -0.070 0.000 2.870 237 E HA 0.055 4.405 4.350 0.000 0.000 0.185 237 E C 1.976 178.483 176.600 -0.154 0.000 1.084 237 E CA -0.326 56.017 56.400 -0.095 0.000 1.246 237 E CB -0.129 29.548 29.700 -0.039 0.000 1.382 237 E HN 0.258 nan 8.360 nan 0.000 0.492 238 H N 1.450 120.379 119.070 -0.235 0.000 2.289 238 H HA -0.143 4.413 4.556 0.000 0.000 0.294 238 H C 2.391 177.466 175.328 -0.421 0.000 1.095 238 H CA 1.370 57.276 56.048 -0.236 0.000 1.256 238 H CB 0.001 29.681 29.762 -0.136 0.000 1.359 238 H HN 0.087 nan 8.280 nan 0.000 0.487 239 L N 0.678 121.472 121.223 -0.716 0.000 2.017 239 L HA -0.159 4.181 4.340 0.000 0.000 0.208 239 L C 2.595 179.212 176.870 -0.421 0.000 1.073 239 L CA 0.904 55.253 54.840 -0.818 0.000 0.745 239 L CB -0.237 41.147 42.059 -1.125 0.000 0.894 239 L HN 0.081 nan 8.230 nan 0.000 0.432 240 V N 0.089 119.820 119.914 -0.306 0.000 2.343 240 V HA -0.288 3.832 4.120 0.000 0.000 0.247 240 V C 2.783 178.784 176.094 -0.155 0.000 1.051 240 V CA 1.706 63.889 62.300 -0.194 0.000 1.036 240 V CB -0.979 30.745 31.823 -0.165 0.000 0.654 240 V HN 0.551 nan 8.190 nan 0.000 0.451 241 A N -0.039 122.689 122.820 -0.153 0.000 1.877 241 A HA -0.239 4.081 4.320 0.000 0.000 0.216 241 A C 2.375 179.964 177.584 0.008 0.000 1.186 241 A CA 2.046 54.059 52.037 -0.039 0.000 0.620 241 A CB -0.471 18.515 19.000 -0.024 0.000 0.822 241 A HN 0.503 nan 8.150 nan 0.000 0.443 242 R N -0.522 119.826 120.500 -0.254 0.000 2.073 242 R HA -0.053 4.287 4.340 0.000 0.000 0.229 242 R C 1.912 177.533 176.300 -1.131 0.000 1.120 242 R CA 1.303 56.880 56.100 -0.872 0.000 0.967 242 R CB -0.300 29.579 30.300 -0.700 0.000 0.862 242 R HN 0.473 nan 8.270 nan 0.000 0.436 243 N N -0.117 118.228 118.700 -0.592 0.000 2.205 243 N HA -0.214 4.526 4.740 0.000 0.000 0.186 243 N C 1.147 176.580 175.510 -0.129 0.000 1.015 243 N CA 0.954 53.818 53.050 -0.310 0.000 0.862 243 N CB -0.282 38.117 38.487 -0.145 0.000 0.986 243 N HN 0.325 nan 8.380 nan 0.000 0.429 244 W N 1.566 122.699 121.300 -0.278 0.000 2.358 244 W HA -0.174 4.486 4.660 0.000 0.000 0.303 244 W C 1.710 178.183 176.519 -0.076 0.000 1.208 244 W CA 1.391 58.643 57.345 -0.156 0.000 1.274 244 W CB -0.534 28.846 29.460 -0.133 0.000 1.138 244 W HN 0.133 nan 8.180 nan 0.000 0.515 245 F N -3.629 116.243 119.950 -0.130 0.000 2.714 245 F HA 0.194 4.721 4.527 0.000 0.000 0.294 245 F C 1.591 177.409 175.800 0.030 0.000 1.120 245 F CA -0.236 57.574 58.000 -0.317 0.000 1.398 245 F CB -1.600 37.188 39.000 -0.355 0.000 1.120 245 F HN -0.207 nan 8.300 nan 0.000 0.589 246 Y N 2.163 122.233 120.300 -0.383 0.000 2.193 246 Y HA -0.058 4.492 4.550 0.000 0.000 0.285 246 Y C -0.508 175.379 175.900 -0.021 0.000 1.166 246 Y CA 0.743 58.742 58.100 -0.168 0.000 1.181 246 Y CB -2.424 35.938 38.460 -0.163 0.000 0.976 246 Y HN 0.138 nan 8.280 nan 0.000 0.520 247 P HA -0.102 nan 4.420 nan 0.000 0.221 247 P C 1.352 178.421 177.300 -0.384 0.000 1.145 247 P CA 1.901 64.941 63.100 -0.101 0.000 0.795 247 P CB 0.027 31.665 31.700 -0.104 0.000 0.775 248 S N -2.467 113.102 115.700 -0.220 0.000 2.605 248 S HA 0.051 4.521 4.470 0.000 0.000 0.217 248 S C -0.001 174.496 174.600 -0.173 0.000 0.958 248 S CA -0.227 57.816 58.200 -0.262 0.000 0.919 248 S CB -1.095 62.052 63.200 -0.089 0.000 0.780 248 S HN 0.368 nan 8.310 nan 0.000 0.507 249 H N 0.746 119.796 119.070 -0.033 0.000 2.756 249 H HA -0.128 4.428 4.556 0.000 0.000 0.315 249 H C 0.036 175.229 175.328 -0.225 0.000 1.210 249 H CA 0.218 56.193 56.048 -0.122 0.000 1.150 249 H CB -1.269 28.417 29.762 -0.128 0.000 1.463 249 H HN 0.243 nan 8.280 nan 0.000 0.427 250 N N -0.738 117.862 118.700 -0.166 0.000 3.039 250 N HA 0.459 5.199 4.740 0.000 0.000 0.257 250 N C -1.411 173.872 175.510 -0.379 0.000 1.497 250 N CA -0.550 52.196 53.050 -0.506 0.000 0.861 250 N CB 1.976 39.769 38.487 -1.157 0.000 1.479 250 N HN 0.112 nan 8.380 nan 0.000 0.547 251 Y N -0.221 119.749 120.300 -0.550 0.000 2.581 251 Y HA 0.327 4.877 4.550 0.000 0.000 0.345 251 Y C 0.826 176.499 175.900 -0.377 0.000 1.036 251 Y CA -0.471 57.348 58.100 -0.470 0.000 1.042 251 Y CB 1.336 39.544 38.460 -0.419 0.000 1.289 251 Y HN 0.599 nan 8.280 nan 0.000 0.471 252 H N -0.128 118.814 119.070 -0.213 0.000 2.893 252 H HA 0.232 4.788 4.556 0.000 0.000 0.270 252 H C -0.229 175.135 175.328 0.060 0.000 1.095 252 H CA -0.115 55.865 56.048 -0.113 0.000 1.186 252 H CB 0.721 29.955 29.762 -0.880 0.000 1.562 252 H HN 0.535 nan 8.280 nan 0.000 0.536 253 Q N 1.554 121.392 119.800 0.065 0.000 2.220 253 Q HA 0.256 4.596 4.340 0.000 0.000 0.205 253 Q C 0.697 176.766 176.000 0.115 0.000 0.865 253 Q CA 0.521 56.421 55.803 0.163 0.000 0.960 253 Q CB 1.279 30.136 28.738 0.199 0.000 1.097 253 Q HN 0.751 nan 8.270 nan 0.000 0.493 254 G N 1.073 109.902 108.800 0.049 0.000 2.757 254 G HA2 -0.222 3.738 3.960 0.000 0.000 0.638 254 G HA3 -0.222 3.738 3.960 0.000 0.000 0.638 254 G C 0.322 175.232 174.900 0.017 0.000 1.344 254 G CA -0.330 44.756 45.100 -0.023 0.000 0.855 254 G HN 0.101 nan 8.290 nan 0.000 0.537 255 M N 0.316 119.926 119.600 0.017 0.000 2.561 255 M HA 0.181 4.661 4.480 0.000 0.000 0.238 255 M C 2.126 178.523 176.300 0.161 0.000 1.131 255 M CA 1.214 56.568 55.300 0.090 0.000 1.046 255 M CB -0.555 32.103 32.600 0.097 0.000 1.532 255 M HN 0.432 nan 8.290 nan 0.000 0.497 256 S N -0.937 114.798 115.700 0.059 0.000 2.517 256 S HA 0.091 4.561 4.470 0.000 0.000 0.228 256 S C 1.531 176.065 174.600 -0.111 0.000 1.060 256 S CA 0.195 58.367 58.200 -0.047 0.000 0.937 256 S CB -0.090 63.001 63.200 -0.183 0.000 0.840 256 S HN 0.380 nan 8.310 nan 0.000 0.546 257 Y N 2.200 122.445 120.300 -0.091 0.000 2.574 257 Y HA 0.053 4.603 4.550 0.000 0.000 0.294 257 Y C 1.985 177.849 175.900 -0.059 0.000 1.142 257 Y CA -0.037 58.006 58.100 -0.095 0.000 1.314 257 Y CB -0.347 37.991 38.460 -0.203 0.000 0.991 257 Y HN 0.181 nan 8.280 nan 0.000 0.555 258 L N 0.701 121.959 121.223 0.058 0.000 2.064 258 L HA -0.337 4.003 4.340 0.000 0.000 0.216 258 L C 2.171 179.040 176.870 -0.002 0.000 1.077 258 L CA 1.878 56.676 54.840 -0.070 0.000 0.766 258 L CB -0.935 41.093 42.059 -0.051 0.000 0.890 258 L HN 0.303 nan 8.230 nan 0.000 0.435 259 N N -0.582 118.198 118.700 0.134 0.000 2.006 259 N HA -0.210 4.530 4.740 0.000 0.000 0.196 259 N C 1.953 177.507 175.510 0.074 0.000 1.057 259 N CA 2.198 55.351 53.050 0.171 0.000 0.853 259 N CB -0.427 38.160 38.487 0.167 0.000 1.051 259 N HN 0.367 nan 8.380 nan 0.000 0.423 260 V N 2.197 122.138 119.914 0.045 0.000 2.407 260 V HA -0.141 3.979 4.120 0.000 0.000 0.248 260 V C 2.460 178.473 176.094 -0.135 0.000 1.055 260 V CA 1.411 63.690 62.300 -0.036 0.000 1.049 260 V CB -0.306 31.557 31.823 0.065 0.000 0.662 260 V HN 0.306 nan 8.190 nan 0.000 0.455 261 R N -0.874 119.597 120.500 -0.049 0.000 2.062 261 R HA -0.042 4.298 4.340 0.000 0.000 0.229 261 R C 2.088 178.338 176.300 -0.084 0.000 1.128 261 R CA 1.686 57.755 56.100 -0.052 0.000 0.960 261 R CB -1.293 28.995 30.300 -0.019 0.000 0.855 261 R HN 0.586 nan 8.270 nan 0.000 0.432 262 F N 2.248 121.935 119.950 -0.438 0.000 2.206 262 F HA -0.077 4.450 4.527 0.000 0.000 0.298 262 F C 1.986 177.703 175.800 -0.138 0.000 1.090 262 F CA 1.117 58.901 58.000 -0.361 0.000 1.323 262 F CB -0.558 38.171 39.000 -0.452 0.000 1.028 262 F HN -0.052 nan 8.300 nan 0.000 0.492 263 T N 0.683 115.154 114.554 -0.138 0.000 2.665 263 T HA -0.231 4.119 4.350 0.000 0.000 0.268 263 T C 1.875 176.543 174.700 -0.053 0.000 1.035 263 T CA 1.783 63.805 62.100 -0.131 0.000 1.151 263 T CB -0.346 68.493 68.868 -0.048 0.000 0.862 263 T HN 0.283 nan 8.240 nan 0.000 0.438 264 N N 0.851 119.461 118.700 -0.150 0.000 2.270 264 N HA -0.087 4.653 4.740 0.000 0.000 0.181 264 N C 1.463 177.035 175.510 0.104 0.000 1.016 264 N CA 0.962 53.967 53.050 -0.075 0.000 0.870 264 N CB -0.294 38.022 38.487 -0.284 0.000 0.979 264 N HN 0.370 nan 8.380 nan 0.000 0.431 265 D N 1.145 121.616 120.400 0.120 0.000 2.123 265 D HA -0.103 4.537 4.640 0.000 0.000 0.196 265 D C 2.085 178.372 176.300 -0.022 0.000 0.992 265 D CA 0.715 54.821 54.000 0.177 0.000 0.833 265 D CB -0.305 40.648 40.800 0.255 0.000 0.954 265 D HN 0.241 nan 8.370 nan 0.000 0.455 266 L N -0.830 120.274 121.223 -0.198 0.000 2.217 266 L HA -0.042 4.298 4.340 0.000 0.000 0.211 266 L C 2.174 179.008 176.870 -0.060 0.000 1.107 266 L CA 0.317 55.004 54.840 -0.254 0.000 0.783 266 L CB -0.275 41.532 42.059 -0.420 0.000 0.919 266 L HN -0.047 nan 8.230 nan 0.000 0.442 267 F N 0.353 120.285 119.950 -0.030 0.000 2.095 267 F HA -0.277 4.251 4.527 0.000 0.000 0.298 267 F C 2.615 178.439 175.800 0.040 0.000 1.104 267 F CA 1.510 59.534 58.000 0.040 0.000 1.232 267 F CB -0.409 38.591 39.000 0.001 0.000 0.987 267 F HN 0.029 nan 8.300 nan 0.000 0.475 268 A N -0.201 122.737 122.820 0.196 0.000 1.902 268 A HA -0.190 4.130 4.320 0.000 0.000 0.217 268 A C 2.057 179.677 177.584 0.061 0.000 1.181 268 A CA 1.654 53.693 52.037 0.003 0.000 0.623 268 A CB -1.119 17.765 19.000 -0.192 0.000 0.818 268 A HN 0.400 nan 8.150 nan 0.000 0.443 269 L N -1.479 119.852 121.223 0.179 0.000 1.989 269 L HA -0.157 4.184 4.340 0.000 0.000 0.211 269 L C 2.231 178.928 176.870 -0.288 0.000 1.071 269 L CA 2.215 57.042 54.840 -0.022 0.000 0.749 269 L CB -0.800 41.060 42.059 -0.332 0.000 0.890 269 L HN 0.567 nan 8.230 nan 0.000 0.431 270 W N -0.265 120.768 121.300 -0.444 0.000 2.381 270 W HA -0.105 4.555 4.660 0.000 0.000 0.301 270 W C 2.509 178.786 176.519 -0.403 0.000 1.205 270 W CA 1.458 58.392 57.345 -0.684 0.000 1.285 270 W CB -0.197 28.358 29.460 -1.508 0.000 1.133 270 W HN 0.117 nan 8.180 nan 0.000 0.521 271 I N -0.138 120.501 120.570 0.115 0.000 2.163 271 I HA -0.350 3.820 4.170 0.000 0.000 0.243 271 I C 2.130 178.355 176.117 0.180 0.000 1.085 271 I CA 1.395 62.887 61.300 0.320 0.000 1.347 271 I CB -0.632 37.592 38.000 0.373 0.000 1.044 271 I HN -0.026 nan 8.210 nan 0.000 0.408 272 L N -0.331 120.939 121.223 0.079 0.000 2.131 272 L HA -0.176 4.164 4.340 0.000 0.000 0.206 272 L C 2.348 179.266 176.870 0.080 0.000 1.087 272 L CA 1.026 55.914 54.840 0.079 0.000 0.767 272 L CB -0.622 41.483 42.059 0.078 0.000 0.917 272 L HN 0.307 nan 8.230 nan 0.000 0.441 273 D N 0.334 120.758 120.400 0.041 0.000 2.097 273 D HA -0.192 4.448 4.640 0.000 0.000 0.195 273 D C 2.204 178.540 176.300 0.060 0.000 0.989 273 D CA 1.103 55.129 54.000 0.045 0.000 0.827 273 D CB 0.195 41.006 40.800 0.019 0.000 0.966 273 D HN 0.089 nan 8.370 nan 0.000 0.456 274 R N 0.187 120.746 120.500 0.098 0.000 2.148 274 R HA -0.048 4.292 4.340 0.000 0.000 0.227 274 R C 2.244 178.628 176.300 0.140 0.000 1.103 274 R CA 0.223 56.425 56.100 0.171 0.000 0.983 274 R CB -0.658 29.841 30.300 0.331 0.000 0.874 274 R HN 0.400 nan 8.270 nan 0.000 0.451 275 M N -0.713 118.952 119.600 0.108 0.000 2.296 275 M HA -0.071 4.409 4.480 0.000 0.000 0.265 275 M C 0.548 176.840 176.300 -0.013 0.000 1.064 275 M CA 1.895 57.215 55.300 0.034 0.000 1.109 275 M CB 0.281 32.885 32.600 0.006 0.000 1.396 275 M HN 0.344 nan 8.290 nan 0.000 0.430 276 G N -1.241 107.569 108.800 0.017 0.000 2.173 276 G HA2 -0.106 3.854 3.960 0.000 0.000 0.142 276 G HA3 -0.106 3.854 3.960 0.000 0.000 0.142 276 G C 0.412 175.344 174.900 0.053 0.000 1.019 276 G CA 0.117 45.225 45.100 0.015 0.000 0.699 276 G HN 0.590 nan 8.290 nan 0.000 0.495 277 A N 0.177 123.045 122.820 0.079 0.000 2.345 277 A HA 0.674 4.995 4.320 0.000 0.000 0.225 277 A C 2.071 179.855 177.584 0.333 0.000 1.243 277 A CA 1.475 53.629 52.037 0.194 0.000 0.875 277 A CB -0.423 18.623 19.000 0.076 0.000 0.929 277 A HN 2.441 nan 8.150 nan 0.000 0.502 278 G N 0.548 109.467 108.800 0.199 0.000 2.641 278 G HA2 -0.294 3.666 3.960 0.000 0.000 0.254 278 G HA3 -0.294 3.666 3.960 0.000 0.000 0.254 278 G C -0.091 174.915 174.900 0.177 0.000 1.315 278 G CA -0.001 45.197 45.100 0.164 0.000 0.907 278 G HN 0.788 nan 8.290 nan 0.000 0.572 279 N N 0.481 119.288 118.700 0.179 0.000 2.411 279 N HA 0.310 5.050 4.740 0.000 0.000 0.259 279 N C 1.575 177.206 175.510 0.201 0.000 1.103 279 N CA 0.380 53.538 53.050 0.180 0.000 0.954 279 N CB 1.297 39.919 38.487 0.225 0.000 1.085 279 N HN 1.321 nan 8.380 nan 0.000 0.485 280 V N 1.552 121.578 119.914 0.187 0.000 3.235 280 V HA 0.340 4.460 4.120 0.000 0.000 0.259 280 V C 0.544 176.630 176.094 -0.013 0.000 1.133 280 V CA 0.482 62.870 62.300 0.148 0.000 1.128 280 V CB -1.016 30.895 31.823 0.147 0.000 0.757 280 V HN 0.264 nan 8.190 nan 0.000 0.469 281 F N 1.285 121.319 119.950 0.140 0.000 2.380 281 F HA 0.407 4.934 4.527 0.000 0.000 0.321 281 F C 0.897 176.798 175.800 0.169 0.000 1.103 281 F CA -0.936 57.149 58.000 0.141 0.000 1.067 281 F CB 0.348 39.511 39.000 0.271 0.000 1.265 281 F HN -0.062 nan 8.300 nan 0.000 0.517 282 N N 2.785 121.721 118.700 0.394 0.000 2.411 282 N HA -0.009 4.731 4.740 0.000 0.000 0.265 282 N C -2.005 173.720 175.510 0.358 0.000 1.266 282 N CA -0.784 52.455 53.050 0.314 0.000 0.889 282 N CB 1.070 39.717 38.487 0.266 0.000 1.069 282 N HN 0.181 nan 8.380 nan 0.000 0.476 283 P HA 0.017 nan 4.420 nan 0.000 0.231 283 P C 1.059 178.372 177.300 0.021 0.000 1.158 283 P CA 0.479 63.707 63.100 0.213 0.000 0.763 283 P CB -0.050 31.790 31.700 0.232 0.000 0.805 284 G N 0.225 109.114 108.800 0.149 0.000 2.498 284 G HA2 -0.290 3.670 3.960 0.000 0.000 0.219 284 G HA3 -0.290 3.670 3.960 0.000 0.000 0.219 284 G C 1.515 176.368 174.900 -0.079 0.000 1.119 284 G CA 0.229 45.458 45.100 0.215 0.000 0.766 284 G HN 0.314 nan 8.290 nan 0.000 0.552 285 Q N -0.127 119.518 119.800 -0.258 0.000 2.197 285 Q HA -0.269 4.071 4.340 0.000 0.000 0.207 285 Q C 2.422 178.108 176.000 -0.523 0.000 0.984 285 Q CA 1.821 57.299 55.803 -0.542 0.000 0.869 285 Q CB -0.206 28.372 28.738 -0.267 0.000 0.906 285 Q HN 0.731 nan 8.270 nan 0.000 0.426 286 Q N -0.727 118.444 119.800 -1.049 0.000 2.234 286 Q HA -0.175 4.165 4.340 0.000 0.000 0.206 286 Q C 0.754 176.228 176.000 -0.877 0.000 0.980 286 Q CA 1.542 56.546 55.803 -1.332 0.000 0.869 286 Q CB -0.010 27.564 28.738 -1.939 0.000 0.912 286 Q HN 0.507 nan 8.270 nan 0.000 0.436 287 F N -1.042 118.627 119.950 -0.468 0.000 2.678 287 F HA 0.233 4.760 4.527 0.000 0.000 0.305 287 F C 1.449 177.059 175.800 -0.317 0.000 1.090 287 F CA -0.397 57.243 58.000 -0.600 0.000 1.272 287 F CB 0.346 38.570 39.000 -1.293 0.000 1.060 287 F HN 0.010 nan 8.300 nan 0.000 0.576 288 I N -0.146 120.328 120.570 -0.160 0.000 2.226 288 I HA -0.274 3.896 4.170 0.000 0.000 0.245 288 I C 2.230 178.266 176.117 -0.135 0.000 1.100 288 I CA 1.191 62.348 61.300 -0.238 0.000 1.374 288 I CB -0.205 37.393 38.000 -0.670 0.000 1.057 288 I HN 0.150 nan 8.210 nan 0.000 0.413 289 L N -0.423 120.807 121.223 0.012 0.000 2.465 289 L HA -0.133 4.207 4.340 0.000 0.000 0.224 289 L C 2.002 178.942 176.870 0.117 0.000 1.145 289 L CA 1.374 56.248 54.840 0.056 0.000 0.834 289 L CB -0.657 41.514 42.059 0.186 0.000 0.944 289 L HN 0.130 nan 8.230 nan 0.000 0.451 290 Y N -0.547 119.768 120.300 0.025 0.000 2.315 290 Y HA -0.280 4.270 4.550 0.000 0.000 0.288 290 Y C 2.376 178.381 175.900 0.176 0.000 1.154 290 Y CA 1.606 59.779 58.100 0.122 0.000 1.229 290 Y CB -0.601 37.938 38.460 0.131 0.000 0.980 290 Y HN 0.378 nan 8.280 nan 0.000 0.540 291 D N -0.462 120.045 120.400 0.179 0.000 2.104 291 D HA -0.212 4.428 4.640 0.000 0.000 0.194 291 D C 2.291 178.645 176.300 0.090 0.000 0.994 291 D CA 1.503 55.557 54.000 0.089 0.000 0.830 291 D CB -0.238 40.541 40.800 -0.034 0.000 0.959 291 D HN 0.219 nan 8.370 nan 0.000 0.452 292 A N 0.149 122.945 122.820 -0.039 0.000 1.917 292 A HA -0.180 4.140 4.320 0.000 0.000 0.219 292 A C 2.434 180.071 177.584 0.090 0.000 1.182 292 A CA 1.514 53.493 52.037 -0.096 0.000 0.633 292 A CB -0.938 17.763 19.000 -0.498 0.000 0.819 292 A HN 0.428 nan 8.150 nan 0.000 0.448 293 I N -2.313 118.331 120.570 0.123 0.000 2.226 293 I HA -0.283 3.887 4.170 0.000 0.000 0.245 293 I C 2.320 178.586 176.117 0.248 0.000 1.100 293 I CA 1.469 62.853 61.300 0.140 0.000 1.374 293 I CB -0.375 37.626 38.000 0.000 0.000 1.057 293 I HN 0.392 nan 8.210 nan 0.000 0.413 294 Y N 0.878 121.308 120.300 0.217 0.000 2.373 294 Y HA -0.125 4.425 4.550 0.000 0.000 0.293 294 Y C 2.212 178.152 175.900 0.066 0.000 1.129 294 Y CA 1.276 59.511 58.100 0.225 0.000 1.226 294 Y CB -0.137 38.401 38.460 0.131 0.000 1.000 294 Y HN 0.027 nan 8.280 nan 0.000 0.549 295 K N 0.314 120.823 120.400 0.181 0.000 2.404 295 K HA 0.026 4.346 4.320 0.000 0.000 0.194 295 K C 0.544 177.164 176.600 0.033 0.000 1.023 295 K CA -0.169 56.160 56.287 0.070 0.000 1.094 295 K CB 0.190 32.719 32.500 0.048 0.000 0.841 295 K HN 0.048 nan 8.250 nan 0.000 0.523 296 R N 1.971 122.518 120.500 0.079 0.000 2.401 296 R HA 0.075 4.415 4.340 0.000 0.000 0.299 296 R C -0.591 175.684 176.300 -0.043 0.000 1.064 296 R CA -0.090 56.040 56.100 0.049 0.000 1.000 296 R CB 0.521 30.893 30.300 0.121 0.000 0.973 296 R HN -0.024 nan 8.270 nan 0.000 0.438 297 R N 4.538 124.947 120.500 -0.152 0.000 2.553 297 R HA 0.238 4.578 4.340 0.000 0.000 0.263 297 R C -1.734 174.511 176.300 -0.091 0.000 1.066 297 R CA -1.961 53.964 56.100 -0.291 0.000 1.135 297 R CB 0.391 30.324 30.300 -0.613 0.000 1.148 297 R HN 0.513 nan 8.270 nan 0.000 0.558 298 P HA -0.110 nan 4.420 nan 0.000 0.230 298 P C -0.046 177.285 177.300 0.052 0.000 1.158 298 P CA 1.035 64.169 63.100 0.056 0.000 0.769 298 P CB 0.088 31.847 31.700 0.098 0.000 0.807 299 D N -2.064 118.360 120.400 0.040 0.000 2.349 299 D HA 0.126 4.766 4.640 0.000 0.000 0.214 299 D C 1.461 177.763 176.300 0.004 0.000 1.063 299 D CA 0.401 54.427 54.000 0.043 0.000 0.847 299 D CB -0.644 40.206 40.800 0.084 0.000 0.933 299 D HN 0.192 nan 8.370 nan 0.000 0.513 300 G N -0.353 108.434 108.800 -0.021 0.000 2.217 300 G HA2 -0.260 3.700 3.960 0.000 0.000 0.246 300 G HA3 -0.260 3.700 3.960 0.000 0.000 0.246 300 G C 0.294 175.133 174.900 -0.102 0.000 0.990 300 G CA -0.051 45.010 45.100 -0.064 0.000 0.627 300 G HN 0.359 nan 8.290 nan 0.000 0.522 301 Q N 0.175 119.935 119.800 -0.066 0.000 2.249 301 Q HA 0.667 5.007 4.340 0.000 0.000 0.226 301 Q C 0.551 176.522 176.000 -0.048 0.000 0.983 301 Q CA -0.263 55.511 55.803 -0.049 0.000 0.930 301 Q CB 1.074 29.819 28.738 0.011 0.000 1.193 301 Q HN 0.385 nan 8.270 nan 0.000 0.508 302 I N 1.516 122.087 120.570 0.003 0.000 2.530 302 I HA 0.190 4.360 4.170 0.000 0.000 0.297 302 I C 0.176 176.317 176.117 0.040 0.000 1.011 302 I CA -1.195 60.128 61.300 0.038 0.000 1.107 302 I CB 1.232 39.317 38.000 0.141 0.000 1.285 302 I HN 0.489 nan 8.210 nan 0.000 0.436 303 L N 4.450 125.674 121.223 0.000 0.000 2.593 303 L HA 0.057 4.397 4.340 0.000 0.000 0.287 303 L C 0.818 177.733 176.870 0.076 0.000 1.243 303 L CA 0.591 55.446 54.840 0.025 0.000 0.890 303 L CB 0.367 42.423 42.059 -0.003 0.000 1.134 303 L HN 0.817 nan 8.230 nan 0.000 0.502 304 A N 3.102 126.002 122.820 0.132 0.000 2.327 304 A HA 0.692 5.012 4.320 0.000 0.000 0.255 304 A C 0.335 177.949 177.584 0.050 0.000 1.099 304 A CA 0.329 52.470 52.037 0.173 0.000 0.801 304 A CB 0.135 19.338 19.000 0.337 0.000 1.062 304 A HN 1.214 nan 8.150 nan 0.000 0.496 305 G N -1.435 107.370 108.800 0.008 0.000 2.318 305 G HA2 0.638 4.598 3.960 0.000 0.000 0.306 305 G HA3 0.638 4.598 3.960 0.000 0.000 0.306 305 G C 0.216 174.967 174.900 -0.248 0.000 1.696 305 G CA 0.430 45.447 45.100 -0.139 0.000 0.905 305 G HN 2.558 nan 8.290 nan 0.000 0.700 306 G N 1.442 109.907 108.800 -0.560 0.000 2.598 306 G HA2 -0.083 3.877 3.960 0.000 0.000 0.269 306 G HA3 -0.083 3.877 3.960 0.000 0.000 0.269 306 G C -0.295 174.166 174.900 -0.731 0.000 1.289 306 G CA 0.291 44.844 45.100 -0.912 0.000 0.926 306 G HN 1.065 nan 8.290 nan 0.000 0.567 307 D N 1.291 121.539 120.400 -0.254 0.000 2.344 307 D HA 0.442 5.082 4.640 0.000 0.000 0.253 307 D C 0.705 177.024 176.300 0.033 0.000 1.255 307 D CA 0.987 55.037 54.000 0.084 0.000 0.894 307 D CB 0.785 41.453 40.800 -0.219 0.000 1.067 307 D HN 1.183 nan 8.370 nan 0.000 0.492 308 V N -0.120 119.960 119.914 0.277 0.000 3.049 308 V HA 0.615 4.735 4.120 0.000 0.000 0.309 308 V C -0.516 175.484 176.094 -0.158 0.000 1.148 308 V CA -1.008 61.312 62.300 0.035 0.000 0.990 308 V CB 2.952 34.768 31.823 -0.013 0.000 1.039 308 V HN 0.092 nan 8.190 nan 0.000 0.430 309 D N 0.430 120.664 120.400 -0.277 0.000 2.506 309 D HA 0.672 5.312 4.640 0.000 0.000 0.254 309 D C -1.397 174.522 176.300 -0.634 0.000 1.089 309 D CA 0.046 53.756 54.000 -0.482 0.000 1.050 309 D CB 1.990 42.725 40.800 -0.107 0.000 1.221 309 D HN 0.701 nan 8.370 nan 0.000 0.589 310 Y N -0.719 119.629 120.300 0.080 0.000 2.512 310 Y HA 0.529 5.079 4.550 0.000 0.000 0.348 310 Y C 0.154 176.082 175.900 0.046 0.000 0.990 310 Y CA -0.855 57.285 58.100 0.067 0.000 1.033 310 Y CB 2.208 40.717 38.460 0.083 0.000 1.259 310 Y HN 0.130 nan 8.280 nan 0.000 0.461 311 S N 0.913 116.724 115.700 0.186 0.000 2.550 311 S HA 0.541 5.011 4.470 0.000 0.000 0.270 311 S C -0.596 174.055 174.600 0.085 0.000 1.145 311 S CA -0.907 57.357 58.200 0.107 0.000 0.852 311 S CB 1.234 64.468 63.200 0.055 0.000 1.119 311 S HN 0.721 nan 8.310 nan 0.000 0.465 312 R N 2.229 122.768 120.500 0.064 0.000 2.546 312 R HA 0.285 4.625 4.340 0.000 0.000 0.320 312 R C 0.944 177.261 176.300 0.029 0.000 1.021 312 R CA -0.202 55.926 56.100 0.047 0.000 1.088 312 R CB -0.002 30.329 30.300 0.052 0.000 1.278 312 R HN 0.579 nan 8.270 nan 0.000 0.557 313 K N 1.014 121.429 120.400 0.024 0.000 1.991 313 K HA 0.009 4.329 4.320 0.000 0.000 0.207 313 K C 0.306 176.911 176.600 0.009 0.000 1.045 313 K CA 1.234 57.532 56.287 0.019 0.000 0.937 313 K CB 0.256 32.769 32.500 0.021 0.000 0.720 313 K HN -0.087 nan 8.250 nan 0.000 0.438 314 K N 0.327 120.723 120.400 -0.008 0.000 2.502 314 K HA 0.321 4.641 4.320 0.000 0.000 0.257 314 K C -2.818 173.713 176.600 -0.115 0.000 0.938 314 K CA -2.157 54.116 56.287 -0.024 0.000 0.819 314 K CB 2.169 34.678 32.500 0.016 0.000 1.333 314 K HN -0.197 nan 8.250 nan 0.000 0.434 315 P HA -0.028 nan 4.420 nan 0.000 0.268 315 P C -1.168 175.715 177.300 -0.694 0.000 1.208 315 P CA -0.222 62.617 63.100 -0.435 0.000 0.777 315 P CB 0.478 31.857 31.700 -0.536 0.000 0.875 316 K N 2.280 122.355 120.400 -0.542 0.000 2.276 316 K HA 0.270 4.590 4.320 0.000 0.000 0.283 316 K C -1.071 175.116 176.600 -0.688 0.000 1.044 316 K CA -0.118 55.860 56.287 -0.515 0.000 0.944 316 K CB 0.132 32.436 32.500 -0.327 0.000 1.012 316 K HN 0.362 nan 8.250 nan 0.000 0.472 317 Y N 2.450 122.581 120.300 -0.282 0.000 2.524 317 Y HA 0.287 4.837 4.550 0.000 0.000 0.344 317 Y C -0.815 174.843 175.900 -0.403 0.000 1.012 317 Y CA -0.965 56.998 58.100 -0.229 0.000 1.068 317 Y CB 1.521 39.921 38.460 -0.100 0.000 1.249 317 Y HN 0.451 nan 8.280 nan 0.000 0.468 318 Y N 0.861 121.306 120.300 0.241 0.000 2.723 318 Y HA 0.175 4.725 4.550 0.000 0.000 0.374 318 Y C 1.197 177.215 175.900 0.197 0.000 1.062 318 Y CA -0.511 57.698 58.100 0.181 0.000 1.321 318 Y CB 0.523 39.074 38.460 0.151 0.000 1.405 318 Y HN 0.694 nan 8.280 nan 0.000 0.583 319 T N -0.142 114.574 114.554 0.269 0.000 2.643 319 T HA -0.223 4.127 4.350 0.000 0.000 0.264 319 T C 2.043 176.933 174.700 0.317 0.000 1.045 319 T CA 1.521 63.793 62.100 0.287 0.000 1.155 319 T CB -0.059 68.913 68.868 0.172 0.000 0.863 319 T HN 0.432 nan 8.240 nan 0.000 0.420 320 M N 1.371 121.108 119.600 0.227 0.000 2.086 320 M HA 0.039 4.519 4.480 0.000 0.000 0.261 320 M C -1.219 175.118 176.300 0.062 0.000 1.067 320 M CA 1.307 56.692 55.300 0.143 0.000 1.116 320 M CB -1.089 31.614 32.600 0.172 0.000 1.348 320 M HN 0.076 nan 8.290 nan 0.000 0.407 321 P HA -0.061 nan 4.420 nan 0.000 0.216 321 P C 1.043 178.368 177.300 0.043 0.000 1.153 321 P CA 2.063 65.160 63.100 -0.005 0.000 0.848 321 P CB -0.296 31.482 31.700 0.131 0.000 0.787 322 A N -0.821 122.096 122.820 0.161 0.000 1.930 322 A HA -0.153 4.167 4.320 0.000 0.000 0.217 322 A C 2.103 179.725 177.584 0.063 0.000 1.175 322 A CA 1.275 53.418 52.037 0.177 0.000 0.627 322 A CB -1.606 17.567 19.000 0.288 0.000 0.815 322 A HN 0.147 nan 8.150 nan 0.000 0.443 323 L N -0.140 121.045 121.223 -0.064 0.000 1.976 323 L HA -0.097 4.243 4.340 0.000 0.000 0.209 323 L C 2.298 179.045 176.870 -0.204 0.000 1.071 323 L CA 1.829 56.395 54.840 -0.456 0.000 0.746 323 L CB -0.557 41.138 42.059 -0.608 0.000 0.890 323 L HN 0.393 nan 8.230 nan 0.000 0.432 324 L N -0.721 120.437 121.223 -0.108 0.000 2.027 324 L HA -0.117 4.223 4.340 0.000 0.000 0.206 324 L C 2.647 179.662 176.870 0.240 0.000 1.074 324 L CA 1.180 56.048 54.840 0.047 0.000 0.745 324 L CB -0.975 41.026 42.059 -0.096 0.000 0.898 324 L HN 0.386 nan 8.230 nan 0.000 0.433 325 A N 0.240 123.102 122.820 0.070 0.000 1.897 325 A HA -0.041 4.279 4.320 0.000 0.000 0.215 325 A C 2.385 180.122 177.584 0.255 0.000 1.181 325 A CA 1.463 53.598 52.037 0.163 0.000 0.620 325 A CB -1.148 17.902 19.000 0.085 0.000 0.821 325 A HN 0.419 nan 8.150 nan 0.000 0.443 326 G N -0.728 108.169 108.800 0.161 0.000 2.418 326 G HA2 -0.123 3.837 3.960 0.000 0.000 0.217 326 G HA3 -0.123 3.837 3.960 0.000 0.000 0.217 326 G C 1.808 176.792 174.900 0.141 0.000 1.158 326 G CA 1.324 46.511 45.100 0.146 0.000 0.771 326 G HN 0.477 nan 8.290 nan 0.000 0.545 327 S N -0.674 115.109 115.700 0.138 0.000 2.387 327 S HA -0.050 4.420 4.470 0.000 0.000 0.226 327 S C 1.917 176.663 174.600 0.243 0.000 1.026 327 S CA 0.854 59.157 58.200 0.172 0.000 0.972 327 S CB -0.349 62.939 63.200 0.147 0.000 0.814 327 S HN 0.515 nan 8.310 nan 0.000 0.477 328 Y N 0.696 121.074 120.300 0.130 0.000 2.163 328 Y HA -0.121 4.429 4.550 0.000 0.000 0.288 328 Y C 1.507 177.148 175.900 -0.432 0.000 1.136 328 Y CA 1.460 59.325 58.100 -0.392 0.000 1.147 328 Y CB -0.174 37.710 38.460 -0.961 0.000 0.987 328 Y HN 0.228 nan 8.280 nan 0.000 0.509 329 Y N 0.784 121.128 120.300 0.073 0.000 2.466 329 Y HA 0.135 4.685 4.550 0.000 0.000 0.272 329 Y C 0.318 176.196 175.900 -0.036 0.000 1.169 329 Y CA -0.141 57.956 58.100 -0.005 0.000 1.285 329 Y CB 0.015 38.462 38.460 -0.021 0.000 1.078 329 Y HN -0.093 nan 8.280 nan 0.000 0.523 330 K N 1.041 121.491 120.400 0.082 0.000 3.148 330 K HA -0.246 4.074 4.320 0.000 0.000 0.267 330 K C -0.942 175.713 176.600 0.093 0.000 0.996 330 K CA 0.734 57.055 56.287 0.058 0.000 0.737 330 K CB -1.638 30.869 32.500 0.012 0.000 1.308 330 K HN 0.426 nan 8.250 nan 0.000 0.470 331 D N 0.991 121.467 120.400 0.126 0.000 2.329 331 D HA 0.148 4.788 4.640 0.000 0.000 0.232 331 D C 0.845 177.206 176.300 0.101 0.000 1.088 331 D CA -0.250 53.838 54.000 0.146 0.000 0.835 331 D CB 0.730 41.642 40.800 0.187 0.000 1.078 331 D HN 0.182 nan 8.370 nan 0.000 0.495 332 E N 2.492 122.711 120.200 0.032 0.000 2.106 332 E HA -0.182 4.168 4.350 0.000 0.000 0.192 332 E C 1.139 177.669 176.600 -0.116 0.000 0.984 332 E CA 1.015 57.368 56.400 -0.078 0.000 0.806 332 E CB 0.120 29.694 29.700 -0.209 0.000 0.750 332 E HN 0.635 nan 8.360 nan 0.000 0.458 333 Y N 0.829 121.118 120.300 -0.019 0.000 2.181 333 Y HA -0.180 4.370 4.550 0.000 0.000 0.288 333 Y C 2.229 178.082 175.900 -0.078 0.000 1.146 333 Y CA 0.802 58.816 58.100 -0.143 0.000 1.164 333 Y CB -0.157 38.076 38.460 -0.378 0.000 0.982 333 Y HN 0.006 nan 8.280 nan 0.000 0.515 334 L N -0.586 120.697 121.223 0.100 0.000 2.156 334 L HA -0.166 4.174 4.340 0.000 0.000 0.208 334 L C 2.046 179.020 176.870 0.174 0.000 1.095 334 L CA 1.167 56.078 54.840 0.118 0.000 0.770 334 L CB -0.503 41.633 42.059 0.130 0.000 0.914 334 L HN 0.222 nan 8.230 nan 0.000 0.439 335 N N -0.143 118.653 118.700 0.161 0.000 2.270 335 N HA -0.236 4.504 4.740 0.000 0.000 0.181 335 N C 1.833 177.471 175.510 0.214 0.000 1.016 335 N CA 0.985 54.149 53.050 0.190 0.000 0.870 335 N CB -0.189 38.377 38.487 0.132 0.000 0.979 335 N HN 0.255 nan 8.380 nan 0.000 0.431 336 Y N 1.187 121.517 120.300 0.049 0.000 2.128 336 Y HA -0.224 4.326 4.550 0.000 0.000 0.284 336 Y C 2.361 178.294 175.900 0.055 0.000 1.154 336 Y CA 2.114 60.227 58.100 0.022 0.000 1.149 336 Y CB -0.419 38.026 38.460 -0.025 0.000 0.976 336 Y HN 0.122 nan 8.280 nan 0.000 0.505 337 E N -0.181 120.151 120.200 0.220 0.000 2.058 337 E HA -0.269 4.081 4.350 0.000 0.000 0.194 337 E C 2.029 178.707 176.600 0.131 0.000 0.997 337 E CA 1.753 58.264 56.400 0.186 0.000 0.801 337 E CB -0.851 28.989 29.700 0.234 0.000 0.746 337 E HN 0.515 nan 8.360 nan 0.000 0.450 338 F N 0.482 120.445 119.950 0.022 0.000 2.134 338 F HA -0.070 4.457 4.527 0.000 0.000 0.299 338 F C 1.744 177.480 175.800 -0.105 0.000 1.097 338 F CA 1.318 59.307 58.000 -0.019 0.000 1.264 338 F CB -0.250 38.752 39.000 0.005 0.000 1.001 338 F HN 0.036 nan 8.300 nan 0.000 0.479 339 L N 0.154 121.221 121.223 -0.261 0.000 2.362 339 L HA -0.174 4.166 4.340 0.000 0.000 0.219 339 L C 2.300 178.894 176.870 -0.459 0.000 1.134 339 L CA 0.921 55.515 54.840 -0.411 0.000 0.807 339 L CB -0.631 41.300 42.059 -0.214 0.000 0.927 339 L HN 0.127 nan 8.230 nan 0.000 0.447 340 K N -0.091 120.049 120.400 -0.434 0.000 2.063 340 K HA -0.183 4.137 4.320 0.000 0.000 0.208 340 K C 0.364 176.614 176.600 -0.584 0.000 1.048 340 K CA 1.404 57.456 56.287 -0.392 0.000 0.928 340 K CB 0.001 32.408 32.500 -0.155 0.000 0.713 340 K HN 0.101 nan 8.250 nan 0.000 0.442 341 D N -0.863 119.075 120.400 -0.771 0.000 2.472 341 D HA 0.095 4.735 4.640 0.000 0.000 0.248 341 D C -2.639 173.245 176.300 -0.694 0.000 1.271 341 D CA -1.833 51.679 54.000 -0.814 0.000 0.888 341 D CB 1.121 41.107 40.800 -1.356 0.000 1.337 341 D HN -0.137 nan 8.370 nan 0.000 0.526 342 P HA 0.220 nan 4.420 nan 0.000 0.228 342 P C -0.925 176.147 177.300 -0.379 0.000 1.748 342 P CA -0.314 62.219 63.100 -0.945 0.000 0.909 342 P CB -0.201 31.047 31.700 -0.754 0.000 1.882 343 N N 0.404 118.952 118.700 -0.253 0.000 2.573 343 N HA 0.187 4.927 4.740 0.000 0.000 0.262 343 N C -0.689 174.821 175.510 -0.000 0.000 1.029 343 N CA -0.479 52.514 53.050 -0.094 0.000 0.882 343 N CB 2.229 40.647 38.487 -0.114 0.000 1.204 343 N HN -0.075 nan 8.380 nan 0.000 0.519 344 V N 1.623 121.574 119.914 0.062 0.000 2.686 344 V HA 0.118 4.238 4.120 0.000 0.000 0.295 344 V C 0.616 176.740 176.094 0.051 0.000 1.057 344 V CA -0.518 61.837 62.300 0.091 0.000 1.012 344 V CB 1.412 33.303 31.823 0.112 0.000 1.006 344 V HN 0.435 nan 8.190 nan 0.000 0.477 345 E N 5.167 125.407 120.200 0.067 0.000 2.415 345 E HA 0.066 4.416 4.350 0.000 0.000 0.262 345 E C -1.630 174.988 176.600 0.030 0.000 1.038 345 E CA -1.672 54.780 56.400 0.086 0.000 0.921 345 E CB 0.431 30.247 29.700 0.193 0.000 0.950 345 E HN 0.388 nan 8.360 nan 0.000 0.438 346 P HA -0.201 nan 4.420 nan 0.000 0.215 346 P C 1.171 178.469 177.300 -0.002 0.000 1.157 346 P CA 1.653 64.756 63.100 0.005 0.000 0.874 346 P CB -0.097 31.601 31.700 -0.002 0.000 0.790 347 H N -1.909 117.107 119.070 -0.091 0.000 2.561 347 H HA 0.033 4.589 4.556 0.000 0.000 0.278 347 H C 0.835 176.147 175.328 -0.028 0.000 1.014 347 H CA 0.895 56.873 56.048 -0.118 0.000 1.211 347 H CB -1.140 28.468 29.762 -0.257 0.000 1.365 347 H HN 0.147 nan 8.280 nan 0.000 0.594 348 C N 0.981 120.039 119.300 -0.402 0.000 2.926 348 C HA 0.179 4.639 4.460 0.000 0.000 0.272 348 C C 2.378 177.352 174.990 -0.028 0.000 1.249 348 C CA -0.490 58.444 59.018 -0.139 0.000 1.691 348 C CB 0.046 27.672 27.740 -0.190 0.000 1.983 348 C HN 0.420 nan 8.230 nan 0.000 0.615 349 K N 1.335 121.683 120.400 -0.088 0.000 2.063 349 K HA -0.152 4.168 4.320 0.000 0.000 0.208 349 K C 1.810 178.336 176.600 -0.122 0.000 1.048 349 K CA 1.099 57.340 56.287 -0.077 0.000 0.928 349 K CB -0.649 31.799 32.500 -0.087 0.000 0.713 349 K HN 0.416 nan 8.250 nan 0.000 0.442 350 L N 0.567 121.628 121.223 -0.269 0.000 2.079 350 L HA -0.128 4.212 4.340 0.000 0.000 0.210 350 L C 2.073 178.622 176.870 -0.536 0.000 1.081 350 L CA 1.554 56.156 54.840 -0.398 0.000 0.752 350 L CB -0.504 41.187 42.059 -0.614 0.000 0.896 350 L HN 0.019 nan 8.230 nan 0.000 0.433 351 F N -0.286 119.403 119.950 -0.436 0.000 2.259 351 F HA -0.125 4.402 4.527 0.000 0.000 0.298 351 F C 2.559 177.973 175.800 -0.644 0.000 1.088 351 F CA 1.349 58.836 58.000 -0.856 0.000 1.358 351 F CB -0.408 38.064 39.000 -0.879 0.000 1.040 351 F HN 0.242 nan 8.300 nan 0.000 0.505 352 E N 0.329 120.418 120.200 -0.185 0.000 2.072 352 E HA -0.244 4.106 4.350 0.000 0.000 0.191 352 E C 2.173 178.716 176.600 -0.096 0.000 0.985 352 E CA 1.083 57.402 56.400 -0.134 0.000 0.801 352 E CB -0.322 29.363 29.700 -0.025 0.000 0.750 352 E HN 0.381 nan 8.360 nan 0.000 0.452 353 F N 1.322 121.171 119.950 -0.170 0.000 2.126 353 F HA -0.194 4.333 4.527 0.000 0.000 0.299 353 F C 1.915 177.630 175.800 -0.141 0.000 1.096 353 F CA 1.491 59.426 58.000 -0.109 0.000 1.255 353 F CB -0.057 38.913 39.000 -0.050 0.000 0.997 353 F HN 0.017 nan 8.300 nan 0.000 0.479 354 L N -1.802 119.315 121.223 -0.177 0.000 2.131 354 L HA -0.146 4.194 4.340 0.000 0.000 0.206 354 L C 1.584 178.389 176.870 -0.108 0.000 1.087 354 L CA 0.633 55.338 54.840 -0.226 0.000 0.767 354 L CB -0.480 41.349 42.059 -0.384 0.000 0.917 354 L HN 0.268 nan 8.230 nan 0.000 0.441 355 W N -0.813 120.273 121.300 -0.356 0.000 2.865 355 W HA 0.268 4.928 4.660 0.000 0.000 0.300 355 W C 1.199 177.422 176.519 -0.494 0.000 1.096 355 W CA -0.876 56.075 57.345 -0.656 0.000 1.524 355 W CB -0.237 28.369 29.460 -1.422 0.000 0.991 355 W HN -0.074 nan 8.180 nan 0.000 0.571 356 R N 2.596 122.995 120.500 -0.168 0.000 2.570 356 R HA 0.008 4.348 4.340 0.000 0.000 0.277 356 R C -0.334 175.918 176.300 -0.079 0.000 1.039 356 R CA 0.405 56.408 56.100 -0.160 0.000 1.065 356 R CB 0.347 30.541 30.300 -0.177 0.000 0.964 356 R HN -0.282 nan 8.270 nan 0.000 0.428 357 D N 2.949 123.324 120.400 -0.041 0.000 2.428 357 D HA 0.036 4.676 4.640 0.000 0.000 0.221 357 D C 0.677 176.971 176.300 -0.010 0.000 1.123 357 D CA -0.236 53.759 54.000 -0.008 0.000 0.869 357 D CB 1.420 42.235 40.800 0.026 0.000 1.032 357 D HN 0.662 nan 8.370 nan 0.000 0.506 358 T N 0.904 115.448 114.554 -0.017 0.000 3.081 358 T HA -0.066 4.284 4.350 0.000 0.000 0.255 358 T C 1.394 176.097 174.700 0.004 0.000 1.113 358 T CA 0.434 62.534 62.100 0.001 0.000 1.082 358 T CB 0.227 69.088 68.868 -0.013 0.000 0.939 358 T HN 0.124 nan 8.240 nan 0.000 0.506 359 Q N 0.157 119.955 119.800 -0.003 0.000 2.389 359 Q HA 0.380 4.720 4.340 0.000 0.000 0.204 359 Q C 0.438 176.441 176.000 0.004 0.000 0.944 359 Q CA -0.047 55.755 55.803 -0.003 0.000 0.908 359 Q CB -0.423 28.308 28.738 -0.010 0.000 1.002 359 Q HN 0.506 nan 8.270 nan 0.000 0.493 360 L N 0.539 121.769 121.223 0.012 0.000 2.453 360 L HA 0.334 4.674 4.340 0.000 0.000 0.272 360 L C 0.704 177.587 176.870 0.022 0.000 1.182 360 L CA 0.276 55.127 54.840 0.018 0.000 0.858 360 L CB 0.445 42.522 42.059 0.028 0.000 1.120 360 L HN 0.144 nan 8.230 nan 0.000 0.474 361 G N 2.917 111.723 108.800 0.010 0.000 2.553 361 G HA2 0.527 4.487 3.960 0.000 0.000 0.278 361 G HA3 0.527 4.487 3.960 0.000 0.000 0.278 361 G C -0.911 173.997 174.900 0.014 0.000 1.349 361 G CA 0.127 45.230 45.100 0.005 0.000 1.037 361 G HN 0.990 nan 8.290 nan 0.000 0.508 362 S N -1.620 114.087 115.700 0.011 0.000 2.536 362 S HA 0.709 5.179 4.470 0.000 0.000 0.271 362 S C -0.923 173.651 174.600 -0.043 0.000 1.134 362 S CA -1.006 57.224 58.200 0.051 0.000 0.897 362 S CB 2.328 65.639 63.200 0.185 0.000 1.094 362 S HN 0.663 nan 8.310 nan 0.000 0.473 363 R N 1.586 121.957 120.500 -0.215 0.000 2.513 363 R HA 0.403 4.743 4.340 0.000 0.000 0.301 363 R C -0.449 175.400 176.300 -0.752 0.000 0.968 363 R CA -0.918 54.887 56.100 -0.491 0.000 0.872 363 R CB 2.156 31.899 30.300 -0.928 0.000 1.177 363 R HN 0.862 nan 8.270 nan 0.000 0.444 364 K N 3.055 122.890 120.400 -0.941 0.000 2.440 364 K HA 0.106 4.426 4.320 0.000 0.000 0.270 364 K C -1.807 174.442 176.600 -0.584 0.000 0.980 364 K CA -1.015 54.589 56.287 -1.139 0.000 0.953 364 K CB 0.556 32.651 32.500 -0.674 0.000 0.925 364 K HN 0.216 nan 8.250 nan 0.000 0.497 365 P HA -0.042 nan 4.420 nan 0.000 0.245 365 P C -0.339 176.188 177.300 -1.289 0.000 1.212 365 P CA 0.551 63.092 63.100 -0.931 0.000 0.774 365 P CB 0.123 31.053 31.700 -1.283 0.000 0.999 366 D N 1.188 121.141 120.400 -0.745 0.000 2.221 366 D HA -0.161 4.479 4.640 0.000 0.000 0.204 366 D C 1.126 177.269 176.300 -0.262 0.000 0.982 366 D CA 1.434 55.147 54.000 -0.479 0.000 0.857 366 D CB -0.490 40.227 40.800 -0.140 0.000 0.934 366 D HN 0.385 nan 8.370 nan 0.000 0.475 367 D N -0.389 119.882 120.400 -0.216 0.000 2.368 367 D HA -0.002 4.638 4.640 0.000 0.000 0.218 367 D C 0.197 176.486 176.300 -0.018 0.000 1.112 367 D CA -0.250 53.731 54.000 -0.031 0.000 0.834 367 D CB -0.465 40.351 40.800 0.027 0.000 0.953 367 D HN 0.156 nan 8.370 nan 0.000 0.505 368 L N 0.850 121.969 121.223 -0.173 0.000 2.380 368 L HA 0.316 4.656 4.340 0.000 0.000 0.273 368 L C -1.995 175.051 176.870 0.293 0.000 1.138 368 L CA -1.897 52.919 54.840 -0.041 0.000 0.832 368 L CB 0.595 42.471 42.059 -0.305 0.000 1.124 368 L HN -0.276 nan 8.230 nan 0.000 0.454 369 P HA -0.071 nan 4.420 nan 0.000 0.266 369 P C 0.624 178.093 177.300 0.282 0.000 1.186 369 P CA 0.267 63.494 63.100 0.212 0.000 0.767 369 P CB 0.487 32.269 31.700 0.136 0.000 0.820 370 L N 0.070 121.346 121.223 0.087 0.000 2.395 370 L HA -0.003 4.337 4.340 0.000 0.000 0.218 370 L C 0.739 177.564 176.870 -0.076 0.000 1.130 370 L CA 1.189 56.011 54.840 -0.029 0.000 0.826 370 L CB -0.206 41.795 42.059 -0.097 0.000 0.941 370 L HN 0.313 nan 8.230 nan 0.000 0.451 371 S N -0.524 115.011 115.700 -0.275 0.000 2.513 371 S HA 0.578 5.048 4.470 0.000 0.000 0.299 371 S C -0.566 173.713 174.600 -0.534 0.000 1.087 371 S CA -0.621 57.289 58.200 -0.483 0.000 1.012 371 S CB 2.719 65.430 63.200 -0.815 0.000 1.044 371 S HN 0.134 nan 8.310 nan 0.000 0.485 372 R N 1.561 121.814 120.500 -0.411 0.000 2.628 372 R HA 0.455 4.795 4.340 0.000 0.000 0.288 372 R C -2.088 174.195 176.300 -0.029 0.000 0.980 372 R CA -0.623 55.287 56.100 -0.316 0.000 0.891 372 R CB 1.214 31.029 30.300 -0.809 0.000 1.188 372 R HN 0.690 nan 8.270 nan 0.000 0.450 373 Y N 1.841 122.153 120.300 0.020 0.000 2.352 373 Y HA 0.448 4.998 4.550 0.000 0.000 0.339 373 Y C -1.215 174.682 175.900 -0.005 0.000 0.992 373 Y CA -0.515 57.619 58.100 0.057 0.000 1.100 373 Y CB 2.073 40.617 38.460 0.141 0.000 1.192 373 Y HN 0.484 nan 8.280 nan 0.000 0.458 374 S N 4.803 120.054 115.700 -0.748 0.000 2.566 374 S HA 0.545 5.015 4.470 0.000 0.000 0.324 374 S C 0.400 174.383 174.600 -1.028 0.000 1.081 374 S CA -0.440 57.345 58.200 -0.691 0.000 1.105 374 S CB 0.941 63.881 63.200 -0.433 0.000 0.981 374 S HN 1.065 nan 8.310 nan 0.000 0.464 375 G N 1.921 110.196 108.800 -0.875 0.000 2.514 375 G HA2 0.323 4.283 3.960 0.000 0.000 0.245 375 G HA3 0.323 4.283 3.960 0.000 0.000 0.245 375 G C -0.042 174.682 174.900 -0.293 0.000 1.488 375 G CA -0.624 44.172 45.100 -0.507 0.000 1.063 375 G HN 0.613 nan 8.290 nan 0.000 0.557 376 S N 1.774 117.344 115.700 -0.215 0.000 2.558 376 S HA 0.156 4.626 4.470 0.000 0.000 0.293 376 S C -1.457 172.803 174.600 -0.567 0.000 1.292 376 S CA -0.168 57.850 58.200 -0.304 0.000 1.063 376 S CB 1.224 64.303 63.200 -0.202 0.000 0.831 376 S HN 0.467 nan 8.310 nan 0.000 0.499 377 P HA 0.198 nan 4.420 nan 0.000 0.254 377 P C 0.036 176.935 177.300 -0.669 0.000 1.494 377 P CA 0.162 62.856 63.100 -0.676 0.000 0.961 377 P CB -0.044 31.159 31.700 -0.829 0.000 1.493 378 F N 0.419 120.065 119.950 -0.507 0.000 2.293 378 F HA 0.389 4.916 4.527 0.000 0.000 0.272 378 F C 1.726 177.175 175.800 -0.584 0.000 1.053 378 F CA 0.822 58.259 58.000 -0.938 0.000 1.152 378 F CB -1.165 36.839 39.000 -1.660 0.000 1.119 378 F HN -0.012 nan 8.300 nan 0.000 0.564 379 G N 0.551 109.225 108.800 -0.209 0.000 2.368 379 G HA2 -0.227 3.733 3.960 0.000 0.000 0.290 379 G HA3 -0.227 3.733 3.960 0.000 0.000 0.290 379 G C -1.002 174.106 174.900 0.346 0.000 1.098 379 G CA -0.483 44.679 45.100 0.102 0.000 1.073 379 G HN 0.166 nan 8.290 nan 0.000 0.511 380 W N 0.261 121.562 121.300 0.002 0.000 2.702 380 W HA 0.788 5.448 4.660 0.000 0.000 0.331 380 W C 0.003 176.517 176.519 -0.008 0.000 1.049 380 W CA -1.883 55.443 57.345 -0.033 0.000 1.230 380 W CB 1.352 30.745 29.460 -0.111 0.000 1.408 380 W HN 0.084 nan 8.180 nan 0.000 0.492 381 M N 4.220 123.941 119.600 0.202 0.000 2.294 381 M HA 0.369 4.849 4.480 0.000 0.000 0.335 381 M C -0.894 175.383 176.300 -0.037 0.000 1.079 381 M CA -1.067 54.306 55.300 0.122 0.000 0.982 381 M CB 1.867 34.528 32.600 0.102 0.000 1.651 381 M HN 0.380 nan 8.290 nan 0.000 0.437 382 I N 3.200 123.719 120.570 -0.084 0.000 2.362 382 I HA 0.673 4.843 4.170 0.000 0.000 0.289 382 I C -0.896 175.101 176.117 -0.200 0.000 0.994 382 I CA -0.079 61.139 61.300 -0.138 0.000 1.158 382 I CB 1.218 39.165 38.000 -0.089 0.000 1.315 382 I HN 0.752 nan 8.210 nan 0.000 0.451 383 A N 7.887 130.509 122.820 -0.331 0.000 2.356 383 A HA 0.877 5.197 4.320 0.000 0.000 0.310 383 A C -0.512 176.755 177.584 -0.530 0.000 1.075 383 A CA -0.708 51.028 52.037 -0.501 0.000 0.746 383 A CB 1.056 19.548 19.000 -0.847 0.000 1.221 383 A HN 0.710 nan 8.150 nan 0.000 0.443 384 R N 0.453 120.744 120.500 -0.348 0.000 2.892 384 R HA 0.618 4.958 4.340 0.000 0.000 0.265 384 R C 0.474 176.713 176.300 -0.102 0.000 1.025 384 R CA -0.017 55.915 56.100 -0.280 0.000 0.982 384 R CB 1.754 31.741 30.300 -0.522 0.000 1.185 384 R HN 0.784 nan 8.270 nan 0.000 0.484 385 T N -2.770 111.773 114.554 -0.019 0.000 3.054 385 T HA 0.361 4.712 4.350 0.000 0.000 0.255 385 T C 0.634 175.311 174.700 -0.040 0.000 1.035 385 T CA 0.098 62.224 62.100 0.045 0.000 0.941 385 T CB 0.628 69.572 68.868 0.126 0.000 1.026 385 T HN 0.744 nan 8.240 nan 0.000 0.533 386 G N -0.341 108.344 108.800 -0.191 0.000 2.321 386 G HA2 0.400 4.360 3.960 0.000 0.000 0.296 386 G HA3 0.400 4.360 3.960 0.000 0.000 0.296 386 G C -1.552 173.078 174.900 -0.450 0.000 1.287 386 G CA -0.862 44.121 45.100 -0.196 0.000 0.846 386 G HN 0.160 nan 8.290 nan 0.000 0.508 387 W N 0.163 121.466 121.300 0.006 0.000 2.870 387 W HA 0.499 5.159 4.660 0.000 0.000 0.358 387 W C 1.188 177.711 176.519 0.006 0.000 1.043 387 W CA 0.289 57.619 57.345 -0.024 0.000 1.692 387 W CB 1.372 30.795 29.460 -0.061 0.000 1.100 387 W HN 0.814 nan 8.180 nan 0.000 0.557 388 G N 0.381 109.290 108.800 0.182 0.000 2.702 388 G HA2 0.299 4.259 3.960 0.000 0.000 0.254 388 G HA3 0.299 4.259 3.960 0.000 0.000 0.254 388 G C -1.804 173.163 174.900 0.111 0.000 1.380 388 G CA -0.739 44.447 45.100 0.142 0.000 1.042 388 G HN -0.318 nan 8.290 nan 0.000 0.557 389 P HA -0.000 nan 4.420 nan 0.000 0.220 389 P C 1.149 178.479 177.300 0.051 0.000 1.148 389 P CA 0.900 64.042 63.100 0.069 0.000 0.803 389 P CB 0.303 32.033 31.700 0.050 0.000 0.782 390 E N -0.547 119.703 120.200 0.084 0.000 2.476 390 E HA 0.092 4.442 4.350 0.000 0.000 0.191 390 E C 0.053 176.811 176.600 0.263 0.000 1.064 390 E CA 0.180 56.664 56.400 0.141 0.000 0.866 390 E CB -0.220 29.584 29.700 0.174 0.000 0.952 390 E HN 0.220 nan 8.360 nan 0.000 0.492 391 S N 1.209 117.020 115.700 0.184 0.000 2.525 391 S HA 0.071 4.541 4.470 0.000 0.000 0.285 391 S C 0.402 175.211 174.600 0.348 0.000 1.283 391 S CA -0.192 58.114 58.200 0.178 0.000 1.072 391 S CB 1.202 64.432 63.200 0.050 0.000 0.867 391 S HN -0.041 nan 8.310 nan 0.000 0.492 392 V N 5.304 125.417 119.914 0.332 0.000 2.546 392 V HA 0.351 4.471 4.120 0.000 0.000 0.284 392 V C 0.135 176.343 176.094 0.190 0.000 1.050 392 V CA -0.244 62.264 62.300 0.348 0.000 0.981 392 V CB 0.677 32.675 31.823 0.291 0.000 0.990 392 V HN 0.700 nan 8.190 nan 0.000 0.474 393 I N 4.074 124.773 120.570 0.214 0.000 2.439 393 I HA 0.720 4.890 4.170 0.000 0.000 0.285 393 I C -0.046 176.104 176.117 0.054 0.000 1.021 393 I CA -0.415 60.918 61.300 0.056 0.000 1.091 393 I CB 1.762 39.788 38.000 0.043 0.000 1.242 393 I HN 0.664 nan 8.210 nan 0.000 0.439 394 A N 5.521 128.265 122.820 -0.125 0.000 2.359 394 A HA 0.669 4.989 4.320 0.000 0.000 0.303 394 A C -0.905 176.582 177.584 -0.161 0.000 1.066 394 A CA -0.515 51.455 52.037 -0.110 0.000 0.730 394 A CB 1.585 20.447 19.000 -0.230 0.000 1.211 394 A HN 0.729 nan 8.150 nan 0.000 0.439 395 E N 2.415 122.578 120.200 -0.061 0.000 2.183 395 E HA 0.721 5.071 4.350 0.000 0.000 0.271 395 E C -1.362 175.152 176.600 -0.144 0.000 0.919 395 E CA -0.514 55.816 56.400 -0.117 0.000 0.781 395 E CB 1.207 30.838 29.700 -0.115 0.000 1.140 395 E HN 0.677 nan 8.360 nan 0.000 0.402 396 M N 3.534 122.960 119.600 -0.289 0.000 2.267 396 M HA 0.405 4.885 4.480 0.000 0.000 0.289 396 M C -1.096 174.923 176.300 -0.468 0.000 1.043 396 M CA -0.550 54.345 55.300 -0.675 0.000 0.928 396 M CB 2.303 34.267 32.600 -1.061 0.000 1.613 396 M HN 0.144 nan 8.290 nan 0.000 0.450 397 K N 2.084 122.293 120.400 -0.319 0.000 2.397 397 K HA 0.565 4.886 4.320 0.000 0.000 0.253 397 K C -0.195 176.604 176.600 0.332 0.000 0.932 397 K CA -0.624 55.684 56.287 0.035 0.000 0.795 397 K CB 3.063 35.407 32.500 -0.261 0.000 1.159 397 K HN 0.414 nan 8.250 nan 0.000 0.424 398 V N 1.109 121.308 119.914 0.475 0.000 2.326 398 V HA -0.076 4.044 4.120 0.000 0.000 0.238 398 V C -0.167 176.146 176.094 0.366 0.000 1.038 398 V CA 0.408 62.946 62.300 0.397 0.000 1.032 398 V CB -0.584 31.431 31.823 0.320 0.000 0.675 398 V HN 0.928 nan 8.190 nan 0.000 0.467 399 N N 0.550 119.526 118.700 0.461 0.000 2.400 399 N HA -0.142 4.598 4.740 0.000 0.000 0.278 399 N C 0.362 175.964 175.510 0.154 0.000 1.405 399 N CA 0.663 53.936 53.050 0.372 0.000 0.709 399 N CB -0.925 37.773 38.487 0.353 0.000 0.896 399 N HN 0.610 nan 8.380 nan 0.000 0.495 400 E N -0.123 120.116 120.200 0.063 0.000 2.158 400 E HA -0.056 4.294 4.350 0.000 0.000 0.191 400 E C -0.205 176.278 176.600 -0.195 0.000 0.982 400 E CA 1.121 57.493 56.400 -0.046 0.000 0.823 400 E CB 0.211 29.901 29.700 -0.016 0.000 0.766 400 E HN 0.561 nan 8.360 nan 0.000 0.468 401 Y N -0.844 119.439 120.300 -0.027 0.000 2.576 401 Y HA 0.288 4.838 4.550 0.000 0.000 0.346 401 Y C -0.196 175.697 175.900 -0.012 0.000 1.018 401 Y CA -0.881 57.188 58.100 -0.051 0.000 1.050 401 Y CB 2.202 40.572 38.460 -0.150 0.000 1.280 401 Y HN -0.291 nan 8.280 nan 0.000 0.474 402 S N 1.026 116.825 115.700 0.165 0.000 2.451 402 S HA 0.420 4.890 4.470 0.000 0.000 0.301 402 S C -0.233 174.399 174.600 0.054 0.000 1.116 402 S CA -0.424 57.897 58.200 0.203 0.000 1.093 402 S CB 0.212 63.552 63.200 0.234 0.000 1.017 402 S HN 0.561 nan 8.310 nan 0.000 0.482 403 F N 4.054 124.035 119.950 0.052 0.000 2.749 403 F HA 0.325 4.852 4.527 0.000 0.000 0.300 403 F C 0.927 176.712 175.800 -0.026 0.000 1.103 403 F CA -0.139 57.788 58.000 -0.122 0.000 1.342 403 F CB -0.320 38.445 39.000 -0.390 0.000 1.098 403 F HN 0.488 nan 8.300 nan 0.000 0.586 404 L N -0.599 120.779 121.223 0.257 0.000 7.382 404 L HA -0.429 3.911 4.340 0.000 0.000 0.055 404 L C 1.383 178.311 176.870 0.096 0.000 1.434 404 L CA 1.334 56.288 54.840 0.191 0.000 1.563 404 L CB -1.612 40.548 42.059 0.169 0.000 2.813 404 L HN 0.448 nan 8.230 nan 0.000 1.135 405 N N -2.276 116.397 118.700 -0.046 0.000 1.518 405 N HA -0.338 4.402 4.740 0.000 0.000 0.146 405 N C 0.952 176.380 175.510 -0.136 0.000 0.621 405 N CA 1.716 54.651 53.050 -0.191 0.000 1.108 405 N CB -0.794 37.546 38.487 -0.244 0.000 1.310 405 N HN 0.776 nan 8.380 nan 0.000 0.457 406 H N 1.076 120.176 119.070 0.051 0.000 2.539 406 H HA 0.098 4.654 4.556 0.000 0.000 0.267 406 H C 0.680 176.032 175.328 0.041 0.000 0.982 406 H CA 0.456 56.515 56.048 0.019 0.000 1.146 406 H CB -0.096 29.545 29.762 -0.202 0.000 1.382 406 H HN 0.403 nan 8.280 nan 0.000 0.577 407 Q N 0.817 120.735 119.800 0.197 0.000 2.340 407 Q HA 0.106 4.446 4.340 0.000 0.000 0.249 407 Q C -0.511 175.639 176.000 0.250 0.000 0.957 407 Q CA -0.133 55.775 55.803 0.175 0.000 0.882 407 Q CB 0.800 29.708 28.738 0.285 0.000 1.235 407 Q HN 0.494 nan 8.270 nan 0.000 0.439 408 H N 1.381 120.462 119.070 0.020 0.000 2.496 408 H HA 0.167 4.723 4.556 0.000 0.000 0.342 408 H C -0.465 174.826 175.328 -0.061 0.000 1.170 408 H CA -1.183 54.836 56.048 -0.048 0.000 1.274 408 H CB 1.148 30.813 29.762 -0.162 0.000 1.538 408 H HN 0.474 nan 8.280 nan 0.000 0.542 409 Q N 2.662 122.491 119.800 0.049 0.000 3.026 409 Q HA 0.035 4.375 4.340 0.000 0.000 0.258 409 Q C -0.391 175.474 176.000 -0.224 0.000 1.388 409 Q CA -0.050 55.721 55.803 -0.052 0.000 1.000 409 Q CB -0.511 28.181 28.738 -0.076 0.000 1.634 409 Q HN 0.607 nan 8.270 nan 0.000 0.571 410 D N -1.570 118.661 120.400 -0.281 0.000 2.696 410 D HA 0.205 4.845 4.640 0.000 0.000 0.269 410 D C 0.063 176.247 176.300 -0.194 0.000 1.319 410 D CA -0.654 53.047 54.000 -0.498 0.000 0.826 410 D CB 0.017 40.231 40.800 -0.977 0.000 1.086 410 D HN 0.160 nan 8.370 nan 0.000 0.481 411 A N 0.208 122.982 122.820 -0.076 0.000 2.546 411 A HA 0.480 4.800 4.320 0.000 0.000 0.243 411 A C 1.754 179.404 177.584 0.109 0.000 1.063 411 A CA 0.647 52.716 52.037 0.053 0.000 0.757 411 A CB -0.375 18.654 19.000 0.047 0.000 0.991 411 A HN 1.017 nan 8.150 nan 0.000 0.503 412 G N 0.736 109.673 108.800 0.228 0.000 2.176 412 G HA2 0.141 4.101 3.960 0.000 0.000 0.253 412 G HA3 0.141 4.101 3.960 0.000 0.000 0.253 412 G C 0.605 175.753 174.900 0.413 0.000 0.979 412 G CA 0.420 45.729 45.100 0.349 0.000 0.641 412 G HN 2.242 nan 8.290 nan 0.000 0.530 413 A N 0.329 123.266 122.820 0.195 0.000 2.477 413 A HA 0.659 4.979 4.320 0.000 0.000 0.246 413 A C 0.175 177.875 177.584 0.194 0.000 1.078 413 A CA 0.603 52.688 52.037 0.081 0.000 0.770 413 A CB -0.109 18.849 19.000 -0.070 0.000 1.011 413 A HN 1.632 nan 8.150 nan 0.000 0.494 414 F N 0.117 120.180 119.950 0.189 0.000 2.523 414 F HA 0.791 5.318 4.527 0.000 0.000 0.329 414 F C -0.266 175.589 175.800 0.092 0.000 1.061 414 F CA -1.006 57.072 58.000 0.130 0.000 0.967 414 F CB 1.625 40.801 39.000 0.293 0.000 1.218 414 F HN 0.604 nan 8.300 nan 0.000 0.480 415 Q N 2.498 122.451 119.800 0.253 0.000 2.284 415 Q HA 0.627 4.967 4.340 0.000 0.000 0.269 415 Q C -2.146 174.000 176.000 0.244 0.000 1.026 415 Q CA -0.587 55.315 55.803 0.165 0.000 0.831 415 Q CB 2.534 31.311 28.738 0.065 0.000 1.322 415 Q HN 0.909 nan 8.270 nan 0.000 0.419 416 I N 3.423 124.159 120.570 0.277 0.000 2.533 416 I HA 0.399 4.569 4.170 0.000 0.000 0.290 416 I C -1.379 174.908 176.117 0.283 0.000 1.056 416 I CA -0.954 60.517 61.300 0.284 0.000 1.057 416 I CB 1.885 40.077 38.000 0.321 0.000 1.240 416 I HN 0.617 nan 8.210 nan 0.000 0.423 417 Y N 7.176 127.570 120.300 0.157 0.000 2.376 417 Y HA 0.620 5.170 4.550 0.000 0.000 0.340 417 Y C -1.710 174.327 175.900 0.227 0.000 0.965 417 Y CA -0.876 57.314 58.100 0.151 0.000 1.078 417 Y CB 1.608 40.126 38.460 0.096 0.000 1.193 417 Y HN 0.534 nan 8.280 nan 0.000 0.452 418 Y N 5.997 126.066 120.300 -0.386 0.000 2.287 418 Y HA 0.262 4.812 4.550 0.000 0.000 0.321 418 Y C -0.635 175.016 175.900 -0.415 0.000 1.173 418 Y CA -1.621 56.345 58.100 -0.223 0.000 1.124 418 Y CB 0.893 39.343 38.460 -0.017 0.000 1.201 418 Y HN 0.774 nan 8.280 nan 0.000 0.421 419 K N 4.166 124.062 120.400 -0.840 0.000 3.156 419 K HA -0.122 4.198 4.320 0.000 0.000 0.266 419 K C 0.143 176.416 176.600 -0.545 0.000 0.966 419 K CA 1.293 57.205 56.287 -0.626 0.000 0.719 419 K CB -1.549 30.540 32.500 -0.685 0.000 1.333 419 K HN 1.470 nan 8.250 nan 0.000 0.468 420 G N -0.770 107.437 108.800 -0.988 0.000 2.402 420 G HA2 0.024 3.984 3.960 0.000 0.000 0.666 420 G HA3 0.024 3.984 3.960 0.000 0.000 0.666 420 G C -3.281 171.246 174.900 -0.621 0.000 1.402 420 G CA -1.210 43.543 45.100 -0.577 0.000 0.920 420 G HN -0.100 nan 8.290 nan 0.000 0.651 421 P HA 0.440 nan 4.420 nan 0.000 0.276 421 P C 0.717 178.039 177.300 0.037 0.000 1.243 421 P CA -0.265 62.884 63.100 0.082 0.000 0.768 421 P CB 0.899 32.689 31.700 0.150 0.000 0.856 422 L N 2.468 123.738 121.223 0.079 0.000 2.546 422 L HA 0.342 4.682 4.340 0.000 0.000 0.182 422 L C 1.109 178.070 176.870 0.151 0.000 1.167 422 L CA 0.258 55.159 54.840 0.102 0.000 0.845 422 L CB -0.602 41.527 42.059 0.116 0.000 1.134 422 L HN 0.220 nan 8.230 nan 0.000 0.500 423 A N 1.776 124.715 122.820 0.197 0.000 2.366 423 A HA 0.524 4.845 4.320 0.000 0.000 0.322 423 A C -0.203 177.464 177.584 0.138 0.000 1.397 423 A CA -0.421 51.738 52.037 0.204 0.000 0.984 423 A CB -0.552 18.659 19.000 0.351 0.000 1.149 423 A HN 0.352 nan 8.150 nan 0.000 0.540 424 I N -0.635 120.007 120.570 0.120 0.000 2.664 424 I HA 0.527 4.697 4.170 0.000 0.000 0.308 424 I C -0.430 175.698 176.117 0.019 0.000 0.984 424 I CA -0.805 60.552 61.300 0.094 0.000 1.213 424 I CB 1.482 39.545 38.000 0.105 0.000 1.379 424 I HN 0.384 nan 8.210 nan 0.000 0.501 425 D N 4.070 124.488 120.400 0.031 0.000 2.412 425 D HA 0.503 5.143 4.640 0.000 0.000 0.224 425 D C -0.340 175.980 176.300 0.033 0.000 1.093 425 D CA -0.079 53.904 54.000 -0.027 0.000 0.850 425 D CB 1.520 42.374 40.800 0.090 0.000 1.046 425 D HN 0.795 nan 8.370 nan 0.000 0.507 426 A N 2.251 124.983 122.820 -0.148 0.000 2.264 426 A HA 0.828 5.148 4.320 0.000 0.000 0.304 426 A C 0.798 178.704 177.584 0.537 0.000 1.100 426 A CA 0.368 52.501 52.037 0.160 0.000 0.839 426 A CB 0.556 19.603 19.000 0.079 0.000 1.121 426 A HN 0.918 nan 8.150 nan 0.000 0.496 427 G N -1.110 108.125 108.800 0.726 0.000 2.685 427 G HA2 0.323 4.283 3.960 0.000 0.000 0.387 427 G HA3 0.323 4.283 3.960 0.000 0.000 0.387 427 G C -0.171 174.860 174.900 0.217 0.000 1.324 427 G CA 0.078 45.526 45.100 0.581 0.000 0.878 427 G HN 1.988 nan 8.290 nan 0.000 0.527 428 S N -1.979 113.438 115.700 -0.471 0.000 2.541 428 S HA 0.563 5.033 4.470 0.000 0.000 0.271 428 S C 0.544 174.507 174.600 -1.061 0.000 1.133 428 S CA 0.440 58.230 58.200 -0.684 0.000 0.876 428 S CB 1.438 64.559 63.200 -0.132 0.000 1.105 428 S HN 1.550 nan 8.310 nan 0.000 0.470 429 Y N 3.825 123.627 120.300 -0.830 0.000 2.128 429 Y HA 0.023 4.573 4.550 0.000 0.000 0.284 429 Y C 1.343 177.191 175.900 -0.088 0.000 1.154 429 Y CA 2.279 60.254 58.100 -0.208 0.000 1.149 429 Y CB -0.503 38.047 38.460 0.150 0.000 0.976 429 Y HN 0.739 nan 8.280 nan 0.000 0.505 430 T N -1.819 112.633 114.554 -0.170 0.000 2.942 430 T HA 0.762 5.112 4.350 0.000 0.000 0.289 430 T C 0.146 174.743 174.700 -0.172 0.000 1.044 430 T CA -0.243 61.730 62.100 -0.211 0.000 1.023 430 T CB 1.965 70.729 68.868 -0.174 0.000 1.123 430 T HN 0.624 nan 8.240 nan 0.000 0.512 431 G N 0.350 109.065 108.800 -0.141 0.000 2.398 431 G HA2 0.305 4.265 3.960 0.000 0.000 0.251 431 G HA3 0.305 4.265 3.960 0.000 0.000 0.251 431 G C 0.733 175.581 174.900 -0.087 0.000 1.277 431 G CA 0.335 45.367 45.100 -0.114 0.000 0.927 431 G HN 1.407 nan 8.290 nan 0.000 0.477 432 S N -0.464 115.193 115.700 -0.071 0.000 2.419 432 S HA -0.080 4.390 4.470 0.000 0.000 0.235 432 S C 2.272 176.851 174.600 -0.034 0.000 1.019 432 S CA 2.493 60.669 58.200 -0.040 0.000 0.982 432 S CB -0.256 62.931 63.200 -0.022 0.000 0.789 432 S HN 1.222 nan 8.310 nan 0.000 0.490 433 S N 0.797 116.461 115.700 -0.059 0.000 2.453 433 S HA 0.403 4.873 4.470 0.000 0.000 0.231 433 S C 1.065 175.663 174.600 -0.004 0.000 1.005 433 S CA 0.930 59.122 58.200 -0.014 0.000 0.949 433 S CB -0.822 62.375 63.200 -0.005 0.000 0.774 433 S HN 1.272 nan 8.310 nan 0.000 0.510 434 G N -1.100 107.679 108.800 -0.036 0.000 2.306 434 G HA2 0.253 4.213 3.960 0.000 0.000 0.262 434 G HA3 0.253 4.213 3.960 0.000 0.000 0.262 434 G C 0.071 174.927 174.900 -0.073 0.000 1.263 434 G CA -0.338 44.744 45.100 -0.030 0.000 1.088 434 G HN 0.716 nan 8.290 nan 0.000 0.489 435 G N -1.942 106.819 108.800 -0.065 0.000 3.075 435 G HA2 0.507 4.468 3.960 0.000 0.000 0.156 435 G HA3 0.507 4.468 3.960 0.000 0.000 0.156 435 G C 0.954 175.813 174.900 -0.068 0.000 1.403 435 G CA 0.847 45.847 45.100 -0.167 0.000 1.033 435 G HN 1.180 nan 8.290 nan 0.000 0.589 436 Y N 1.031 121.250 120.300 -0.134 0.000 2.193 436 Y HA -0.181 4.369 4.550 0.000 0.000 0.285 436 Y C 2.324 178.367 175.900 0.237 0.000 1.166 436 Y CA 2.373 60.572 58.100 0.164 0.000 1.181 436 Y CB 0.141 38.741 38.460 0.232 0.000 0.976 436 Y HN 0.245 nan 8.280 nan 0.000 0.520 437 N N 0.531 119.391 118.700 0.268 0.000 2.461 437 N HA -0.017 4.724 4.740 0.000 0.000 0.188 437 N C 0.381 175.984 175.510 0.155 0.000 1.134 437 N CA 0.762 53.954 53.050 0.236 0.000 0.878 437 N CB -0.373 38.197 38.487 0.139 0.000 0.972 437 N HN 0.317 nan 8.380 nan 0.000 0.456 438 S N 0.801 116.568 115.700 0.111 0.000 2.584 438 S HA 0.199 4.669 4.470 0.000 0.000 0.270 438 S C -1.592 173.053 174.600 0.075 0.000 1.346 438 S CA -0.925 57.326 58.200 0.084 0.000 1.018 438 S CB 1.441 64.683 63.200 0.069 0.000 0.899 438 S HN -0.129 nan 8.310 nan 0.000 0.542 439 P HA -0.110 nan 4.420 nan 0.000 0.218 439 P C 1.214 178.516 177.300 0.003 0.000 1.148 439 P CA 1.508 64.656 63.100 0.080 0.000 0.822 439 P CB -0.150 31.690 31.700 0.234 0.000 0.784 440 H N -0.398 118.672 119.070 -0.000 0.000 2.321 440 H HA -0.067 4.489 4.556 0.000 0.000 0.300 440 H C 1.961 177.275 175.328 -0.024 0.000 1.087 440 H CA 1.728 57.754 56.048 -0.038 0.000 1.319 440 H CB -0.454 29.239 29.762 -0.115 0.000 1.379 440 H HN -0.043 nan 8.280 nan 0.000 0.501 441 N N 0.470 119.198 118.700 0.046 0.000 2.084 441 N HA -0.141 4.599 4.740 0.000 0.000 0.190 441 N C 1.711 177.139 175.510 -0.135 0.000 1.030 441 N CA 1.534 54.608 53.050 0.039 0.000 0.849 441 N CB -0.102 38.448 38.487 0.106 0.000 1.012 441 N HN 0.454 nan 8.380 nan 0.000 0.423 442 K N 0.480 120.758 120.400 -0.204 0.000 2.097 442 K HA 0.039 4.359 4.320 0.000 0.000 0.205 442 K C 1.210 177.645 176.600 -0.275 0.000 1.050 442 K CA 0.865 57.027 56.287 -0.209 0.000 0.938 442 K CB 0.117 32.503 32.500 -0.191 0.000 0.718 442 K HN 0.224 nan 8.250 nan 0.000 0.442 443 N N -1.325 117.120 118.700 -0.425 0.000 2.273 443 N HA 0.042 4.782 4.740 0.000 0.000 0.192 443 N C 0.761 175.996 175.510 -0.459 0.000 1.132 443 N CA 0.476 53.140 53.050 -0.642 0.000 0.887 443 N CB 0.553 38.205 38.487 -1.392 0.000 1.048 443 N HN 0.065 nan 8.380 nan 0.000 0.490 444 F N -0.450 119.182 119.950 -0.530 0.000 2.017 444 F HA 0.233 4.760 4.527 0.000 0.000 0.245 444 F C 1.726 177.297 175.800 -0.383 0.000 1.060 444 F CA -0.413 57.334 58.000 -0.422 0.000 1.231 444 F CB -0.457 38.283 39.000 -0.433 0.000 1.527 444 F HN -0.262 nan 8.300 nan 0.000 0.636 445 F N 2.399 122.029 119.950 -0.533 0.000 2.065 445 F HA -0.162 4.365 4.527 0.000 0.000 0.298 445 F C 1.971 177.360 175.800 -0.685 0.000 1.112 445 F CA 2.075 59.791 58.000 -0.474 0.000 1.212 445 F CB -0.541 38.320 39.000 -0.231 0.000 0.975 445 F HN -0.067 nan 8.300 nan 0.000 0.476 446 K N -0.207 119.839 120.400 -0.590 0.000 2.487 446 K HA 0.023 4.343 4.320 0.000 0.000 0.192 446 K C 0.341 176.784 176.600 -0.261 0.000 1.027 446 K CA -0.026 55.889 56.287 -0.619 0.000 1.054 446 K CB 0.247 32.688 32.500 -0.099 0.000 0.824 446 K HN 0.043 nan 8.250 nan 0.000 0.510 447 R N -0.024 120.284 120.500 -0.320 0.000 2.596 447 R HA 0.163 4.503 4.340 0.000 0.000 0.267 447 R C 1.198 177.382 176.300 -0.193 0.000 1.026 447 R CA -0.277 55.646 56.100 -0.295 0.000 1.087 447 R CB 0.363 30.427 30.300 -0.394 0.000 1.132 447 R HN -0.137 nan 8.270 nan 0.000 0.531 448 T N 1.138 115.591 114.554 -0.169 0.000 2.788 448 T HA -0.114 4.236 4.350 0.000 0.000 0.268 448 T C 1.819 176.494 174.700 -0.042 0.000 1.044 448 T CA 1.108 63.170 62.100 -0.063 0.000 1.139 448 T CB -0.145 68.679 68.868 -0.074 0.000 0.867 448 T HN 0.523 nan 8.240 nan 0.000 0.454 449 I N 1.121 121.598 120.570 -0.155 0.000 2.530 449 I HA -0.188 3.982 4.170 0.000 0.000 0.257 449 I C 2.313 178.235 176.117 -0.325 0.000 1.179 449 I CA 0.890 62.099 61.300 -0.152 0.000 1.440 449 I CB -0.196 37.728 38.000 -0.127 0.000 1.087 449 I HN 0.213 nan 8.210 nan 0.000 0.440 450 A N -0.921 121.422 122.820 -0.795 0.000 2.206 450 A HA -0.017 4.303 4.320 0.000 0.000 0.211 450 A C 0.407 177.286 177.584 -1.175 0.000 1.158 450 A CA 0.670 51.948 52.037 -1.264 0.000 0.761 450 A CB -0.679 17.498 19.000 -1.371 0.000 0.801 450 A HN 0.577 nan 8.150 nan 0.000 0.473 451 H N -1.222 117.585 119.070 -0.438 0.000 2.771 451 H HA 0.372 4.928 4.556 0.000 0.000 0.367 451 H C -0.537 174.701 175.328 -0.150 0.000 1.172 451 H CA -1.163 54.698 56.048 -0.311 0.000 1.186 451 H CB 0.591 30.217 29.762 -0.226 0.000 1.790 451 H HN 0.077 nan 8.280 nan 0.000 0.556 452 N N 1.083 119.685 118.700 -0.164 0.000 2.819 452 N HA 0.079 4.819 4.740 0.000 0.000 0.284 452 N C -0.546 174.711 175.510 -0.422 0.000 1.196 452 N CA 0.125 52.868 53.050 -0.512 0.000 1.114 452 N CB 0.600 38.331 38.487 -1.260 0.000 1.437 452 N HN 0.421 nan 8.380 nan 0.000 0.518 453 S N 0.528 116.097 115.700 -0.219 0.000 3.359 453 S HA 0.673 5.143 4.470 0.000 0.000 0.323 453 S C -1.324 173.237 174.600 -0.064 0.000 1.143 453 S CA -0.578 57.578 58.200 -0.074 0.000 0.989 453 S CB 0.487 63.702 63.200 0.025 0.000 1.375 453 S HN 0.226 nan 8.310 nan 0.000 0.728 454 L N 1.917 123.196 121.223 0.094 0.000 2.365 454 L HA 0.633 4.973 4.340 0.000 0.000 0.273 454 L C -1.184 175.843 176.870 0.262 0.000 1.000 454 L CA -0.519 54.406 54.840 0.141 0.000 0.819 454 L CB 1.733 43.867 42.059 0.125 0.000 1.284 454 L HN 0.481 nan 8.230 nan 0.000 0.418 455 L N 3.886 125.284 121.223 0.293 0.000 2.342 455 L HA 0.662 5.003 4.340 0.000 0.000 0.271 455 L C -1.068 176.030 176.870 0.379 0.000 1.008 455 L CA -0.754 54.302 54.840 0.360 0.000 0.818 455 L CB 2.270 44.541 42.059 0.353 0.000 1.296 455 L HN 0.412 nan 8.230 nan 0.000 0.427 456 I N 1.979 122.725 120.570 0.294 0.000 2.500 456 I HA 0.236 4.406 4.170 0.000 0.000 0.286 456 I C -1.054 175.167 176.117 0.172 0.000 1.063 456 I CA -0.195 61.248 61.300 0.239 0.000 1.062 456 I CB 1.728 39.773 38.000 0.074 0.000 1.223 456 I HN 0.319 nan 8.210 nan 0.000 0.435 457 Y N 5.449 125.792 120.300 0.072 0.000 2.454 457 Y HA 0.431 4.981 4.550 0.000 0.000 0.345 457 Y C -0.213 175.453 175.900 -0.390 0.000 0.970 457 Y CA -0.432 57.587 58.100 -0.135 0.000 1.204 457 Y CB 0.629 39.004 38.460 -0.142 0.000 1.122 457 Y HN 0.528 nan 8.280 nan 0.000 0.514 458 D N 8.834 128.695 120.400 -0.898 0.000 2.359 458 D HA 0.229 4.869 4.640 0.000 0.000 0.230 458 D C -1.873 173.951 176.300 -0.794 0.000 1.118 458 D CA -2.653 50.637 54.000 -1.184 0.000 0.844 458 D CB 1.744 41.845 40.800 -1.164 0.000 1.059 458 D HN 0.316 nan 8.370 nan 0.000 0.493 459 P HA -0.099 nan 4.420 nan 0.000 0.225 459 P C 0.489 177.664 177.300 -0.207 0.000 1.148 459 P CA 0.816 63.782 63.100 -0.223 0.000 0.779 459 P CB 0.404 32.140 31.700 0.061 0.000 0.780 460 K N -0.372 119.895 120.400 -0.220 0.000 2.358 460 K HA 0.091 4.411 4.320 0.000 0.000 0.197 460 K C 0.846 177.303 176.600 -0.237 0.000 1.025 460 K CA -0.145 56.038 56.287 -0.172 0.000 1.104 460 K CB 0.388 32.830 32.500 -0.096 0.000 0.855 460 K HN 0.232 nan 8.250 nan 0.000 0.531 461 E N 2.469 122.470 120.200 -0.333 0.000 2.360 461 E HA -0.005 4.345 4.350 0.000 0.000 0.269 461 E C -0.481 175.895 176.600 -0.373 0.000 1.022 461 E CA 0.051 56.207 56.400 -0.407 0.000 0.887 461 E CB 0.707 30.100 29.700 -0.512 0.000 0.990 461 E HN 0.068 nan 8.360 nan 0.000 0.426 462 T N 0.767 115.058 114.554 -0.437 0.000 2.932 462 T HA 0.551 4.901 4.350 0.000 0.000 0.289 462 T C -0.621 173.807 174.700 -0.453 0.000 1.039 462 T CA -0.786 61.137 62.100 -0.295 0.000 1.024 462 T CB 0.657 69.372 68.868 -0.256 0.000 1.090 462 T HN 0.271 nan 8.240 nan 0.000 0.496 463 F N 1.177 121.135 119.950 0.013 0.000 2.513 463 F HA 0.498 5.025 4.527 0.000 0.000 0.358 463 F C 0.742 176.568 175.800 0.043 0.000 1.118 463 F CA -0.856 57.104 58.000 -0.067 0.000 1.037 463 F CB 1.756 40.625 39.000 -0.219 0.000 1.276 463 F HN 0.656 nan 8.300 nan 0.000 0.446 464 S N 1.403 117.159 115.700 0.095 0.000 2.510 464 S HA 0.297 4.767 4.470 0.000 0.000 0.279 464 S C 0.766 175.342 174.600 -0.040 0.000 1.284 464 S CA 0.086 58.245 58.200 -0.068 0.000 1.059 464 S CB 0.314 63.460 63.200 -0.091 0.000 0.901 464 S HN 0.716 nan 8.310 nan 0.000 0.491 465 S N 2.224 117.901 115.700 -0.040 0.000 2.900 465 S HA 0.072 4.542 4.470 0.000 0.000 0.253 465 S C 1.425 176.145 174.600 0.200 0.000 1.029 465 S CA 0.172 58.495 58.200 0.204 0.000 1.096 465 S CB -0.174 63.152 63.200 0.209 0.000 1.067 465 S HN 0.749 nan 8.310 nan 0.000 0.610 466 S N 1.402 117.112 115.700 0.017 0.000 2.419 466 S HA 0.027 4.497 4.470 0.000 0.000 0.235 466 S C 1.669 176.310 174.600 0.067 0.000 1.019 466 S CA 1.191 59.389 58.200 -0.004 0.000 0.982 466 S CB -0.895 62.229 63.200 -0.127 0.000 0.789 466 S HN 0.694 nan 8.310 nan 0.000 0.490 467 G N -0.829 108.049 108.800 0.130 0.000 3.126 467 G HA2 0.208 4.168 3.960 0.000 0.000 0.224 467 G HA3 0.208 4.168 3.960 0.000 0.000 0.224 467 G C -0.043 174.985 174.900 0.214 0.000 1.142 467 G CA -0.560 44.608 45.100 0.115 0.000 0.759 467 G HN 0.550 nan 8.290 nan 0.000 0.550 468 Y N 2.058 122.468 120.300 0.184 0.000 2.442 468 Y HA 0.389 4.939 4.550 0.000 0.000 0.330 468 Y C 0.928 176.922 175.900 0.157 0.000 1.129 468 Y CA 0.726 58.876 58.100 0.084 0.000 1.365 468 Y CB 0.407 38.886 38.460 0.032 0.000 1.233 468 Y HN 0.513 nan 8.280 nan 0.000 0.529 469 G N 3.459 111.989 108.800 -0.451 0.000 2.829 469 G HA2 -0.099 3.861 3.960 0.000 0.000 0.628 469 G HA3 -0.099 3.861 3.960 0.000 0.000 0.628 469 G C 0.534 175.400 174.900 -0.055 0.000 1.412 469 G CA -0.313 44.649 45.100 -0.229 0.000 0.864 469 G HN 1.410 nan 8.290 nan 0.000 0.544 470 G N -0.865 107.876 108.800 -0.099 0.000 3.020 470 G HA2 0.644 4.604 3.960 0.000 0.000 0.217 470 G HA3 0.644 4.604 3.960 0.000 0.000 0.217 470 G C 0.690 175.537 174.900 -0.090 0.000 1.144 470 G CA 1.566 46.655 45.100 -0.019 0.000 0.760 470 G HN 2.156 nan 8.290 nan 0.000 0.548 471 S N -1.171 114.333 115.700 -0.328 0.000 2.643 471 S HA 0.413 4.883 4.470 0.000 0.000 0.270 471 S C -1.048 173.317 174.600 -0.392 0.000 1.166 471 S CA -0.276 57.733 58.200 -0.318 0.000 0.815 471 S CB 1.491 64.642 63.200 -0.081 0.000 1.139 471 S HN 0.042 nan 8.310 nan 0.000 0.472 472 D N 1.095 121.383 120.400 -0.187 0.000 2.689 472 D HA -0.133 4.507 4.640 0.000 0.000 0.237 472 D C -0.466 175.801 176.300 -0.054 0.000 1.148 472 D CA 1.068 55.029 54.000 -0.065 0.000 0.656 472 D CB -1.683 39.111 40.800 -0.009 0.000 1.050 472 D HN 0.636 nan 8.370 nan 0.000 0.426 473 H N 0.409 119.535 119.070 0.092 0.000 2.848 473 H HA 0.264 4.820 4.556 0.000 0.000 0.341 473 H C 1.222 176.602 175.328 0.087 0.000 1.060 473 H CA 0.779 56.887 56.048 0.100 0.000 1.444 473 H CB 0.714 30.519 29.762 0.072 0.000 1.446 473 H HN 0.194 nan 8.280 nan 0.000 0.583 474 T N -0.316 114.365 114.554 0.212 0.000 2.861 474 T HA 0.140 4.490 4.350 0.000 0.000 0.287 474 T C 0.674 175.421 174.700 0.078 0.000 1.003 474 T CA -1.015 61.168 62.100 0.138 0.000 0.977 474 T CB 1.846 70.789 68.868 0.125 0.000 0.996 474 T HN 0.343 nan 8.240 nan 0.000 0.448 475 D N 0.765 121.167 120.400 0.004 0.000 2.178 475 D HA 0.099 4.740 4.640 0.000 0.000 0.202 475 D C -0.117 175.834 176.300 -0.582 0.000 0.974 475 D CA 1.355 55.194 54.000 -0.268 0.000 0.841 475 D CB 0.064 40.711 40.800 -0.256 0.000 0.953 475 D HN 0.535 nan 8.370 nan 0.000 0.478 476 F N -0.670 119.319 119.950 0.063 0.000 2.588 476 F HA 0.551 5.078 4.527 0.000 0.000 0.310 476 F C 0.148 175.960 175.800 0.020 0.000 1.082 476 F CA -1.192 56.833 58.000 0.041 0.000 0.929 476 F CB 1.760 40.779 39.000 0.032 0.000 1.254 476 F HN -0.272 nan 8.300 nan 0.000 0.455 477 A N 1.135 124.052 122.820 0.162 0.000 2.261 477 A HA 0.892 5.213 4.320 0.000 0.000 0.323 477 A C -0.388 177.173 177.584 -0.037 0.000 1.107 477 A CA -0.392 51.634 52.037 -0.019 0.000 0.883 477 A CB 0.516 19.391 19.000 -0.209 0.000 1.251 477 A HN 0.996 nan 8.150 nan 0.000 0.502 478 A N 0.440 123.168 122.820 -0.155 0.000 2.406 478 A HA 0.404 4.724 4.320 0.000 0.000 0.243 478 A C 0.352 177.766 177.584 -0.284 0.000 1.082 478 A CA -0.303 51.666 52.037 -0.114 0.000 0.786 478 A CB -0.190 18.777 19.000 -0.055 0.000 1.029 478 A HN 0.770 nan 8.150 nan 0.000 0.495 479 N N 0.960 119.579 118.700 -0.134 0.000 2.401 479 N HA 0.065 4.805 4.740 0.000 0.000 0.255 479 N C -0.183 175.266 175.510 -0.100 0.000 1.110 479 N CA -0.064 52.863 53.050 -0.205 0.000 0.949 479 N CB 0.787 39.223 38.487 -0.084 0.000 1.110 479 N HN 0.621 nan 8.380 nan 0.000 0.490 480 D N 2.312 122.534 120.400 -0.298 0.000 2.363 480 D HA 0.104 4.744 4.640 0.000 0.000 0.214 480 D C 0.953 177.361 176.300 0.180 0.000 1.093 480 D CA 0.186 54.210 54.000 0.039 0.000 0.837 480 D CB -0.342 40.361 40.800 -0.162 0.000 0.948 480 D HN 0.627 nan 8.370 nan 0.000 0.507 481 G N 0.113 108.937 108.800 0.039 0.000 2.166 481 G HA2 -0.218 3.742 3.960 0.000 0.000 0.260 481 G HA3 -0.218 3.742 3.960 0.000 0.000 0.260 481 G C 0.648 175.663 174.900 0.191 0.000 0.986 481 G CA 0.422 45.594 45.100 0.121 0.000 0.683 481 G HN 0.780 nan 8.290 nan 0.000 0.527 482 G N -1.187 107.669 108.800 0.094 0.000 2.641 482 G HA2 0.591 4.551 3.960 0.000 0.000 0.239 482 G HA3 0.591 4.551 3.960 0.000 0.000 0.239 482 G C 0.108 175.045 174.900 0.062 0.000 1.402 482 G CA -0.334 44.816 45.100 0.083 0.000 1.046 482 G HN 0.504 nan 8.290 nan 0.000 0.565 483 Q N -0.195 119.470 119.800 -0.226 0.000 2.354 483 Q HA 0.304 4.644 4.340 0.000 0.000 0.244 483 Q C 0.250 176.176 176.000 -0.122 0.000 0.969 483 Q CA -0.200 55.340 55.803 -0.438 0.000 0.885 483 Q CB 1.176 29.577 28.738 -0.561 0.000 1.241 483 Q HN 0.321 nan 8.270 nan 0.000 0.461 484 R N 0.820 121.232 120.500 -0.146 0.000 2.758 484 R HA 0.003 4.343 4.340 0.000 0.000 0.263 484 R C -0.447 175.761 176.300 -0.153 0.000 1.010 484 R CA 0.313 56.341 56.100 -0.119 0.000 1.114 484 R CB 0.119 30.318 30.300 -0.168 0.000 0.985 484 R HN 0.452 nan 8.270 nan 0.000 0.439 485 L N 4.460 125.555 121.223 -0.213 0.000 2.272 485 L HA 0.335 4.675 4.340 0.000 0.000 0.284 485 L C -2.054 174.714 176.870 -0.169 0.000 1.045 485 L CA -2.229 52.359 54.840 -0.419 0.000 0.842 485 L CB 1.068 42.597 42.059 -0.882 0.000 1.224 485 L HN 0.328 nan 8.230 nan 0.000 0.430 486 P HA 0.421 nan 4.420 nan 0.000 0.275 486 P C 0.318 177.622 177.300 0.007 0.000 1.266 486 P CA 0.055 63.089 63.100 -0.109 0.000 0.793 486 P CB 0.829 32.460 31.700 -0.115 0.000 1.074 487 G N -0.148 108.479 108.800 -0.287 0.000 2.685 487 G HA2 -0.166 3.795 3.960 0.000 0.000 0.387 487 G HA3 -0.166 3.795 3.960 0.000 0.000 0.387 487 G C -0.929 173.985 174.900 0.023 0.000 1.324 487 G CA -0.756 44.355 45.100 0.018 0.000 0.878 487 G HN 0.521 nan 8.290 nan 0.000 0.527 488 K N 1.213 121.667 120.400 0.090 0.000 2.502 488 K HA 0.446 4.766 4.320 0.000 0.000 0.244 488 K C 1.067 177.700 176.600 0.055 0.000 1.249 488 K CA 0.586 56.898 56.287 0.042 0.000 1.193 488 K CB 0.044 32.568 32.500 0.040 0.000 1.674 488 K HN 2.151 nan 8.250 nan 0.000 0.302 489 G N 1.881 110.715 108.800 0.056 0.000 2.303 489 G HA2 -0.213 3.747 3.960 0.000 0.000 0.260 489 G HA3 -0.213 3.747 3.960 0.000 0.000 0.260 489 G C -0.302 174.762 174.900 0.274 0.000 1.106 489 G CA -0.449 44.703 45.100 0.086 0.000 0.900 489 G HN 0.688 nan 8.290 nan 0.000 0.495 490 W N -1.901 119.432 121.300 0.056 0.000 4.949 490 W HA -0.179 4.481 4.660 0.000 0.000 0.380 490 W C 0.070 176.691 176.519 0.170 0.000 1.446 490 W CA 0.046 57.467 57.345 0.127 0.000 0.869 490 W CB -1.662 27.885 29.460 0.144 0.000 2.591 490 W HN 0.613 nan 8.180 nan 0.000 1.398 491 I N 1.939 122.693 120.570 0.305 0.000 2.336 491 I HA 0.463 4.633 4.170 0.000 0.000 0.292 491 I C 1.225 177.473 176.117 0.219 0.000 0.991 491 I CA -0.474 60.934 61.300 0.181 0.000 1.227 491 I CB 0.964 39.041 38.000 0.128 0.000 1.366 491 I HN 0.065 nan 8.210 nan 0.000 0.466 492 A N 9.194 132.065 122.820 0.085 0.000 2.425 492 A HA 0.428 4.748 4.320 0.000 0.000 0.242 492 A C -2.300 175.226 177.584 -0.096 0.000 1.077 492 A CA -0.874 51.150 52.037 -0.021 0.000 0.781 492 A CB -0.435 18.512 19.000 -0.088 0.000 1.020 492 A HN 0.444 nan 8.150 nan 0.000 0.494 493 P HA 0.214 nan 4.420 nan 0.000 0.276 493 P C 0.435 177.603 177.300 -0.221 0.000 1.244 493 P CA -0.428 62.491 63.100 -0.302 0.000 0.801 493 P CB 0.944 32.248 31.700 -0.660 0.000 1.006 494 R N 2.090 122.505 120.500 -0.143 0.000 2.094 494 R HA -0.147 4.194 4.340 0.000 0.000 0.239 494 R C 0.462 176.662 176.300 -0.167 0.000 1.137 494 R CA 2.496 58.522 56.100 -0.123 0.000 0.943 494 R CB -0.526 29.724 30.300 -0.083 0.000 0.850 494 R HN 0.716 nan 8.270 nan 0.000 0.433 495 D N -3.362 116.916 120.400 -0.203 0.000 2.825 495 D HA 0.022 4.662 4.640 0.000 0.000 0.327 495 D C 0.389 176.507 176.300 -0.303 0.000 1.277 495 D CA -0.502 53.362 54.000 -0.227 0.000 0.950 495 D CB -0.252 40.442 40.800 -0.177 0.000 1.438 495 D HN -0.020 nan 8.370 nan 0.000 0.526 496 L N 0.418 121.443 121.223 -0.330 0.000 2.083 496 L HA 0.024 4.364 4.340 0.000 0.000 0.209 496 L C 2.148 178.756 176.870 -0.436 0.000 1.083 496 L CA 2.013 56.561 54.840 -0.487 0.000 0.752 496 L CB -0.739 41.003 42.059 -0.529 0.000 0.899 496 L HN 0.628 nan 8.230 nan 0.000 0.433 497 K N -0.489 119.734 120.400 -0.295 0.000 2.009 497 K HA -0.236 4.084 4.320 0.000 0.000 0.210 497 K C 2.051 178.544 176.600 -0.180 0.000 1.049 497 K CA 2.070 58.227 56.287 -0.218 0.000 0.929 497 K CB -0.187 32.222 32.500 -0.151 0.000 0.714 497 K HN 0.450 nan 8.250 nan 0.000 0.440 498 E N 0.310 120.415 120.200 -0.160 0.000 2.077 498 E HA -0.235 4.115 4.350 0.000 0.000 0.193 498 E C 2.048 178.599 176.600 -0.081 0.000 0.989 498 E CA 1.489 57.833 56.400 -0.094 0.000 0.800 498 E CB -0.085 29.564 29.700 -0.084 0.000 0.746 498 E HN 0.368 nan 8.360 nan 0.000 0.452 499 M N 0.653 120.086 119.600 -0.278 0.000 2.065 499 M HA -0.218 4.263 4.480 0.000 0.000 0.259 499 M C 2.044 178.280 176.300 -0.106 0.000 1.069 499 M CA 1.598 56.670 55.300 -0.380 0.000 1.110 499 M CB -0.023 32.166 32.600 -0.685 0.000 1.328 499 M HN 0.090 nan 8.290 nan 0.000 0.405 500 L N -0.298 120.766 121.223 -0.266 0.000 2.201 500 L HA -0.097 4.243 4.340 0.000 0.000 0.212 500 L C 2.479 179.345 176.870 -0.007 0.000 1.105 500 L CA 0.853 55.595 54.840 -0.164 0.000 0.775 500 L CB -0.821 41.060 42.059 -0.297 0.000 0.913 500 L HN 0.424 nan 8.230 nan 0.000 0.440 501 A N -0.252 122.562 122.820 -0.010 0.000 2.132 501 A HA 0.253 4.573 4.320 0.000 0.000 0.213 501 A C 1.524 179.133 177.584 0.043 0.000 1.154 501 A CA 0.740 52.783 52.037 0.010 0.000 0.753 501 A CB -0.412 18.579 19.000 -0.014 0.000 0.826 501 A HN 0.363 nan 8.150 nan 0.000 0.469 502 G N 0.027 108.902 108.800 0.125 0.000 2.714 502 G HA2 0.366 4.326 3.960 0.000 0.000 0.197 502 G HA3 0.366 4.326 3.960 0.000 0.000 0.197 502 G C -0.178 174.659 174.900 -0.104 0.000 1.449 502 G CA 0.470 45.598 45.100 0.047 0.000 1.065 502 G HN 0.303 nan 8.290 nan 0.000 0.575 503 D N -1.019 119.108 120.400 -0.455 0.000 2.894 503 D HA 0.197 4.837 4.640 0.000 0.000 0.273 503 D C 0.131 176.147 176.300 -0.473 0.000 1.328 503 D CA -0.479 53.283 54.000 -0.396 0.000 0.845 503 D CB -0.203 40.379 40.800 -0.364 0.000 1.072 503 D HN 0.203 nan 8.370 nan 0.000 0.484 504 F N -0.041 119.913 119.950 0.007 0.000 2.749 504 F HA 0.235 4.762 4.527 0.000 0.000 0.300 504 F C 1.326 177.122 175.800 -0.006 0.000 1.103 504 F CA -0.729 57.288 58.000 0.028 0.000 1.342 504 F CB 0.190 39.204 39.000 0.024 0.000 1.098 504 F HN -0.125 nan 8.300 nan 0.000 0.586 505 R N 1.269 121.738 120.500 -0.052 0.000 2.401 505 R HA 0.119 4.459 4.340 0.000 0.000 0.299 505 R C 0.837 176.981 176.300 -0.261 0.000 1.064 505 R CA 0.847 56.647 56.100 -0.500 0.000 1.000 505 R CB 0.340 30.351 30.300 -0.481 0.000 0.973 505 R HN 0.197 nan 8.270 nan 0.000 0.438 506 T N 0.161 114.569 114.554 -0.243 0.000 3.058 506 T HA 0.414 4.765 4.350 0.000 0.000 0.278 506 T C 0.481 175.145 174.700 -0.060 0.000 0.974 506 T CA 0.043 62.080 62.100 -0.106 0.000 0.893 506 T CB 0.713 69.556 68.868 -0.042 0.000 1.138 506 T HN 0.608 nan 8.240 nan 0.000 0.529 507 G N 0.392 109.131 108.800 -0.102 0.000 2.451 507 G HA2 0.525 4.485 3.960 0.000 0.000 0.292 507 G HA3 0.525 4.485 3.960 0.000 0.000 0.292 507 G C -2.428 172.449 174.900 -0.038 0.000 1.427 507 G CA -0.941 44.146 45.100 -0.022 0.000 0.792 507 G HN 0.328 nan 8.290 nan 0.000 0.498 508 K N 0.322 120.735 120.400 0.021 0.000 2.565 508 K HA 0.606 4.926 4.320 0.000 0.000 0.249 508 K C -0.755 175.888 176.600 0.071 0.000 0.958 508 K CA -0.693 55.612 56.287 0.031 0.000 0.806 508 K CB 1.111 33.626 32.500 0.026 0.000 1.194 508 K HN 0.465 nan 8.250 nan 0.000 0.434 509 I N 6.699 127.318 120.570 0.082 0.000 2.517 509 I HA 0.027 4.197 4.170 0.000 0.000 0.285 509 I C 0.818 176.987 176.117 0.086 0.000 1.106 509 I CA 0.144 61.509 61.300 0.109 0.000 1.402 509 I CB 0.475 38.560 38.000 0.141 0.000 1.399 509 I HN 0.623 nan 8.210 nan 0.000 0.535 510 L N 6.314 127.587 121.223 0.082 0.000 2.357 510 L HA 0.444 4.784 4.340 0.000 0.000 0.211 510 L C 0.781 177.696 176.870 0.073 0.000 1.075 510 L CA 0.173 55.062 54.840 0.081 0.000 0.830 510 L CB 0.006 42.123 42.059 0.096 0.000 0.996 510 L HN 0.751 nan 8.230 nan 0.000 0.467 511 A N 0.283 123.119 122.820 0.027 0.000 2.594 511 A HA 0.668 4.988 4.320 0.000 0.000 0.296 511 A C -1.774 175.690 177.584 -0.200 0.000 1.061 511 A CA -0.465 51.572 52.037 -0.001 0.000 0.689 511 A CB 1.601 20.698 19.000 0.162 0.000 1.280 511 A HN 0.111 nan 8.150 nan 0.000 0.406 512 Q N 0.107 119.803 119.800 -0.174 0.000 2.527 512 Q HA 0.783 5.123 4.340 0.000 0.000 0.280 512 Q C -0.430 175.494 176.000 -0.127 0.000 0.977 512 Q CA -0.128 55.495 55.803 -0.299 0.000 0.837 512 Q CB 1.033 29.409 28.738 -0.603 0.000 1.454 512 Q HN 2.416 nan 8.270 nan 0.000 0.387 513 G N 0.226 109.009 108.800 -0.029 0.000 2.328 513 G HA2 0.567 4.527 3.960 0.000 0.000 0.295 513 G HA3 0.567 4.527 3.960 0.000 0.000 0.295 513 G C -1.981 172.947 174.900 0.048 0.000 1.413 513 G CA -0.335 44.708 45.100 -0.096 0.000 0.817 513 G HN 1.104 nan 8.290 nan 0.000 0.546 514 F N -1.457 118.437 119.950 -0.095 0.000 2.645 514 F HA 0.985 5.512 4.527 0.000 0.000 0.310 514 F C 0.360 175.851 175.800 -0.516 0.000 1.102 514 F CA -0.651 57.142 58.000 -0.344 0.000 0.952 514 F CB 1.654 40.544 39.000 -0.184 0.000 1.326 514 F HN 1.674 nan 8.300 nan 0.000 0.456 515 G N 0.393 108.795 108.800 -0.663 0.000 2.367 515 G HA2 0.351 4.311 3.960 0.000 0.000 0.272 515 G HA3 0.351 4.311 3.960 0.000 0.000 0.272 515 G C -3.033 171.559 174.900 -0.513 0.000 1.271 515 G CA -0.436 44.398 45.100 -0.443 0.000 0.893 515 G HN 0.375 nan 8.290 nan 0.000 0.485 516 P HA 0.089 nan 4.420 nan 0.000 0.221 516 P C 0.262 177.491 177.300 -0.119 0.000 1.150 516 P CA 1.150 64.085 63.100 -0.276 0.000 0.800 516 P CB 0.099 31.608 31.700 -0.320 0.000 0.787 517 D N -1.449 118.913 120.400 -0.063 0.000 2.264 517 D HA 0.053 4.693 4.640 0.000 0.000 0.250 517 D C 1.190 177.534 176.300 0.073 0.000 1.113 517 D CA -0.295 53.710 54.000 0.009 0.000 0.871 517 D CB 0.298 41.111 40.800 0.021 0.000 1.167 517 D HN -0.222 nan 8.370 nan 0.000 0.447 518 N N 2.250 121.015 118.700 0.109 0.000 2.331 518 N HA -0.191 4.549 4.740 0.000 0.000 0.180 518 N C 1.367 176.986 175.510 0.182 0.000 1.019 518 N CA 1.044 54.232 53.050 0.230 0.000 0.881 518 N CB 0.203 38.796 38.487 0.176 0.000 0.972 518 N HN 0.391 nan 8.380 nan 0.000 0.435 519 Q N -0.396 119.468 119.800 0.106 0.000 2.089 519 Q HA 0.068 4.408 4.340 0.000 0.000 0.195 519 Q C 0.001 176.035 176.000 0.057 0.000 0.963 519 Q CA 1.281 57.136 55.803 0.086 0.000 0.834 519 Q CB 0.195 28.984 28.738 0.085 0.000 0.906 519 Q HN 0.348 nan 8.270 nan 0.000 0.452 520 T N -0.786 113.795 114.554 0.046 0.000 3.504 520 T HA 0.465 4.815 4.350 0.000 0.000 0.286 520 T C -2.789 171.921 174.700 0.017 0.000 1.530 520 T CA -1.909 60.210 62.100 0.031 0.000 1.652 520 T CB 0.881 69.777 68.868 0.046 0.000 0.895 520 T HN 0.039 nan 8.240 nan 0.000 0.674 521 P HA 0.205 nan 4.420 nan 0.000 0.267 521 P C 0.168 177.464 177.300 -0.006 0.000 1.205 521 P CA 0.040 63.120 63.100 -0.034 0.000 0.765 521 P CB 0.933 32.610 31.700 -0.038 0.000 0.828 522 D N 1.472 121.868 120.400 -0.006 0.000 2.178 522 D HA -0.094 4.546 4.640 0.000 0.000 0.201 522 D C 0.656 177.048 176.300 0.155 0.000 0.980 522 D CA 1.836 55.883 54.000 0.079 0.000 0.842 522 D CB -0.258 40.627 40.800 0.142 0.000 0.948 522 D HN 0.575 nan 8.370 nan 0.000 0.472 523 Y N -2.538 117.824 120.300 0.103 0.000 2.553 523 Y HA 0.653 5.203 4.550 0.000 0.000 0.347 523 Y C -1.001 175.063 175.900 0.274 0.000 1.019 523 Y CA -1.168 57.025 58.100 0.155 0.000 1.032 523 Y CB 1.245 39.766 38.460 0.102 0.000 1.284 523 Y HN -0.414 nan 8.280 nan 0.000 0.466 524 T N 3.439 118.285 114.554 0.487 0.000 2.881 524 T HA 0.327 4.677 4.350 0.000 0.000 0.291 524 T C -2.176 172.868 174.700 0.574 0.000 0.990 524 T CA -0.504 61.862 62.100 0.444 0.000 0.976 524 T CB 0.584 69.638 68.868 0.311 0.000 0.970 524 T HN 0.648 nan 8.240 nan 0.000 0.438 525 Y N 4.045 124.581 120.300 0.394 0.000 2.409 525 Y HA 0.799 5.349 4.550 0.000 0.000 0.343 525 Y C -1.766 174.300 175.900 0.277 0.000 0.973 525 Y CA -1.865 56.450 58.100 0.358 0.000 1.064 525 Y CB 1.246 39.914 38.460 0.346 0.000 1.207 525 Y HN 0.571 nan 8.280 nan 0.000 0.452 526 L N 6.276 127.391 121.223 -0.180 0.000 2.493 526 L HA 0.568 4.908 4.340 0.000 0.000 0.265 526 L C -1.861 174.948 176.870 -0.102 0.000 0.954 526 L CA -0.629 54.111 54.840 -0.166 0.000 0.844 526 L CB 1.965 44.116 42.059 0.153 0.000 1.302 526 L HN 0.725 nan 8.230 nan 0.000 0.405 527 K N 3.001 123.281 120.400 -0.201 0.000 2.378 527 K HA 0.893 5.213 4.320 0.000 0.000 0.252 527 K C -0.997 175.670 176.600 0.111 0.000 0.931 527 K CA -0.511 55.788 56.287 0.021 0.000 0.794 527 K CB 2.024 34.548 32.500 0.040 0.000 1.181 527 K HN 0.862 nan 8.250 nan 0.000 0.425 528 G N 1.856 110.747 108.800 0.151 0.000 2.667 528 G HA2 0.215 4.175 3.960 0.000 0.000 0.298 528 G HA3 0.215 4.175 3.960 0.000 0.000 0.298 528 G C -1.762 173.202 174.900 0.107 0.000 1.377 528 G CA -0.459 44.731 45.100 0.150 0.000 0.964 528 G HN 0.602 nan 8.290 nan 0.000 0.493 529 D N 1.441 121.895 120.400 0.091 0.000 2.317 529 D HA 0.227 4.867 4.640 0.000 0.000 0.234 529 D C 1.021 177.370 176.300 0.083 0.000 1.112 529 D CA -0.510 53.532 54.000 0.070 0.000 0.840 529 D CB 1.329 42.162 40.800 0.054 0.000 1.078 529 D HN 0.398 nan 8.370 nan 0.000 0.486 530 I N 1.005 121.640 120.570 0.107 0.000 3.856 530 I HA 0.137 4.307 4.170 0.000 0.000 0.330 530 I C 0.989 177.233 176.117 0.212 0.000 1.546 530 I CA -0.514 60.877 61.300 0.152 0.000 1.132 530 I CB 0.310 38.432 38.000 0.205 0.000 1.157 530 I HN 0.033 nan 8.210 nan 0.000 0.440 531 T N 1.773 116.408 114.554 0.134 0.000 2.699 531 T HA -0.224 4.127 4.350 0.000 0.000 0.268 531 T C 2.068 176.858 174.700 0.150 0.000 1.036 531 T CA 2.148 64.325 62.100 0.129 0.000 1.147 531 T CB -0.160 68.735 68.868 0.045 0.000 0.862 531 T HN 0.642 nan 8.240 nan 0.000 0.446 532 A N 1.091 123.953 122.820 0.069 0.000 2.121 532 A HA 0.318 4.639 4.320 0.000 0.000 0.218 532 A C 2.529 180.106 177.584 -0.011 0.000 1.154 532 A CA 1.378 53.420 52.037 0.008 0.000 0.679 532 A CB -0.789 18.180 19.000 -0.050 0.000 0.795 532 A HN 0.523 nan 8.150 nan 0.000 0.458 533 A N -1.600 121.225 122.820 0.009 0.000 2.121 533 A HA 0.244 4.564 4.320 0.000 0.000 0.218 533 A C 0.708 178.121 177.584 -0.285 0.000 1.154 533 A CA 0.568 52.516 52.037 -0.148 0.000 0.679 533 A CB -0.306 18.565 19.000 -0.214 0.000 0.795 533 A HN 0.494 nan 8.150 nan 0.000 0.458 534 Y N -0.635 119.646 120.300 -0.033 0.000 2.602 534 Y HA 0.464 5.015 4.550 0.000 0.000 0.330 534 Y C 1.272 177.128 175.900 -0.074 0.000 1.114 534 Y CA -0.495 57.581 58.100 -0.040 0.000 1.182 534 Y CB 0.927 39.377 38.460 -0.017 0.000 1.305 534 Y HN 0.163 nan 8.280 nan 0.000 0.502 535 S N 0.236 115.975 115.700 0.066 0.000 2.625 535 S HA 0.339 4.809 4.470 0.000 0.000 0.258 535 S C 1.125 175.729 174.600 0.006 0.000 1.256 535 S CA -0.177 58.001 58.200 -0.037 0.000 0.983 535 S CB 0.230 63.347 63.200 -0.139 0.000 1.032 535 S HN 0.816 nan 8.310 nan 0.000 0.572 536 A N 0.145 122.952 122.820 -0.022 0.000 2.235 536 A HA 0.066 4.386 4.320 0.000 0.000 0.208 536 A C 1.982 179.596 177.584 0.049 0.000 1.172 536 A CA 0.759 52.800 52.037 0.006 0.000 0.786 536 A CB -0.983 18.012 19.000 -0.008 0.000 0.804 536 A HN 0.885 nan 8.150 nan 0.000 0.479 537 K N 0.082 120.514 120.400 0.054 0.000 2.360 537 K HA -0.021 4.299 4.320 0.000 0.000 0.201 537 K C 0.367 177.078 176.600 0.186 0.000 1.046 537 K CA 1.281 57.670 56.287 0.170 0.000 0.945 537 K CB -0.782 31.675 32.500 -0.072 0.000 0.750 537 K HN 0.428 nan 8.250 nan 0.000 0.464 538 V N -1.683 118.268 119.914 0.062 0.000 2.715 538 V HA 0.334 4.454 4.120 0.000 0.000 0.310 538 V C 0.409 176.500 176.094 -0.005 0.000 1.054 538 V CA -1.120 61.181 62.300 0.002 0.000 0.928 538 V CB 2.007 33.763 31.823 -0.112 0.000 1.007 538 V HN 0.011 nan 8.190 nan 0.000 0.437 539 K N 0.960 121.346 120.400 -0.024 0.000 2.284 539 K HA 0.309 4.629 4.320 0.000 0.000 0.198 539 K C 0.380 176.961 176.600 -0.030 0.000 1.048 539 K CA 0.728 57.001 56.287 -0.023 0.000 0.987 539 K CB 0.530 33.013 32.500 -0.028 0.000 0.800 539 K HN 0.883 nan 8.250 nan 0.000 0.486 540 E N 0.602 120.769 120.200 -0.056 0.000 2.388 540 E HA 0.201 4.551 4.350 0.000 0.000 0.289 540 E C -1.945 174.596 176.600 -0.098 0.000 0.944 540 E CA -0.454 55.911 56.400 -0.058 0.000 0.792 540 E CB 2.051 31.720 29.700 -0.052 0.000 1.239 540 E HN -0.212 nan 8.360 nan 0.000 0.412 541 V N 4.293 124.163 119.914 -0.074 0.000 2.524 541 V HA 0.493 4.613 4.120 0.000 0.000 0.297 541 V C -0.656 175.418 176.094 -0.032 0.000 1.035 541 V CA -0.766 61.478 62.300 -0.093 0.000 0.867 541 V CB 1.741 33.477 31.823 -0.144 0.000 1.004 541 V HN 0.563 nan 8.190 nan 0.000 0.426 542 K N 3.627 123.988 120.400 -0.066 0.000 2.422 542 K HA 0.749 5.069 4.320 0.000 0.000 0.251 542 K C -0.829 175.715 176.600 -0.094 0.000 0.933 542 K CA -0.915 55.347 56.287 -0.042 0.000 0.798 542 K CB 3.249 35.730 32.500 -0.031 0.000 1.238 542 K HN 0.655 nan 8.250 nan 0.000 0.428 543 R N 1.194 121.646 120.500 -0.081 0.000 2.532 543 R HA 0.370 4.710 4.340 0.000 0.000 0.297 543 R C -1.363 174.800 176.300 -0.229 0.000 0.984 543 R CA -0.384 55.590 56.100 -0.211 0.000 0.884 543 R CB 1.595 31.730 30.300 -0.275 0.000 1.182 543 R HN 0.570 nan 8.270 nan 0.000 0.442 544 S N 4.468 120.048 115.700 -0.199 0.000 2.449 544 S HA 0.513 4.983 4.470 0.000 0.000 0.310 544 S C -1.139 173.462 174.600 0.002 0.000 1.096 544 S CA -0.534 57.697 58.200 0.051 0.000 1.095 544 S CB 0.617 64.039 63.200 0.370 0.000 1.007 544 S HN 0.397 nan 8.310 nan 0.000 0.474 545 F N 2.237 122.366 119.950 0.299 0.000 2.436 545 F HA 0.624 5.151 4.527 0.000 0.000 0.340 545 F C -0.132 175.937 175.800 0.449 0.000 1.113 545 F CA -0.994 57.189 58.000 0.304 0.000 1.022 545 F CB 0.940 40.082 39.000 0.237 0.000 1.128 545 F HN 0.331 nan 8.300 nan 0.000 0.466 546 L N 4.718 126.301 121.223 0.600 0.000 2.415 546 L HA 0.472 4.812 4.340 0.000 0.000 0.268 546 L C -1.342 175.770 176.870 0.403 0.000 0.984 546 L CA -0.600 54.553 54.840 0.521 0.000 0.853 546 L CB 0.781 43.068 42.059 0.379 0.000 1.215 546 L HN 0.595 nan 8.230 nan 0.000 0.419 547 F N 5.524 125.639 119.950 0.275 0.000 2.396 547 F HA 0.599 5.126 4.527 0.000 0.000 0.343 547 F C -1.047 174.856 175.800 0.172 0.000 1.104 547 F CA -0.359 57.750 58.000 0.182 0.000 1.161 547 F CB 0.821 39.907 39.000 0.145 0.000 1.146 547 F HN 0.257 nan 8.300 nan 0.000 0.522 548 L N 6.067 126.919 121.223 -0.617 0.000 2.319 548 L HA 0.307 4.647 4.340 0.000 0.000 0.281 548 L C -0.428 175.993 176.870 -0.748 0.000 1.005 548 L CA -0.853 53.724 54.840 -0.437 0.000 0.828 548 L CB 1.225 43.138 42.059 -0.244 0.000 1.227 548 L HN 0.571 nan 8.230 nan 0.000 0.415 549 N N 3.814 122.313 118.700 -0.334 0.000 2.402 549 N HA 0.180 4.921 4.740 0.000 0.000 0.252 549 N C 0.502 175.951 175.510 -0.102 0.000 1.118 549 N CA 0.003 52.963 53.050 -0.150 0.000 0.945 549 N CB 1.017 39.553 38.487 0.082 0.000 1.147 549 N HN 0.624 nan 8.380 nan 0.000 0.495 550 L N 2.750 123.897 121.223 -0.126 0.000 2.554 550 L HA 0.085 4.425 4.340 0.000 0.000 0.226 550 L C 0.584 177.436 176.870 -0.029 0.000 1.137 550 L CA 0.032 54.821 54.840 -0.085 0.000 0.863 550 L CB -0.223 41.779 42.059 -0.096 0.000 0.985 550 L HN 0.443 nan 8.230 nan 0.000 0.451 551 K N 1.375 121.770 120.400 -0.010 0.000 3.257 551 K HA -0.218 4.102 4.320 0.000 0.000 0.270 551 K C -0.569 176.043 176.600 0.020 0.000 0.984 551 K CA 0.772 57.068 56.287 0.015 0.000 0.739 551 K CB -1.653 30.860 32.500 0.021 0.000 1.351 551 K HN 0.438 nan 8.250 nan 0.000 0.463 552 D N -1.830 118.582 120.400 0.020 0.000 2.966 552 D HA 0.542 5.182 4.640 0.000 0.000 0.222 552 D C 0.684 176.999 176.300 0.025 0.000 1.292 552 D CA 0.179 54.196 54.000 0.029 0.000 0.907 552 D CB 1.477 42.306 40.800 0.048 0.000 1.621 552 D HN 0.028 nan 8.370 nan 0.000 0.557 553 A N 3.674 126.514 122.820 0.034 0.000 1.930 553 A HA -0.118 4.202 4.320 0.000 0.000 0.217 553 A C 1.711 179.315 177.584 0.033 0.000 1.175 553 A CA 1.377 53.441 52.037 0.046 0.000 0.627 553 A CB -0.229 18.803 19.000 0.052 0.000 0.815 553 A HN 0.604 nan 8.150 nan 0.000 0.443 554 K N -0.932 119.476 120.400 0.014 0.000 2.007 554 K HA 0.051 4.371 4.320 0.000 0.000 0.206 554 K C -0.144 176.434 176.600 -0.036 0.000 1.047 554 K CA 1.253 57.536 56.287 -0.007 0.000 0.937 554 K CB 0.009 32.493 32.500 -0.026 0.000 0.718 554 K HN 0.224 nan 8.250 nan 0.000 0.438 555 V N 2.807 122.702 119.914 -0.031 0.000 2.315 555 V HA 0.114 4.234 4.120 0.000 0.000 0.265 555 V C -2.077 173.992 176.094 -0.041 0.000 1.019 555 V CA -1.159 61.117 62.300 -0.040 0.000 0.824 555 V CB 1.173 33.002 31.823 0.010 0.000 1.072 555 V HN 0.100 nan 8.190 nan 0.000 0.448 556 P HA 0.052 nan 4.420 nan 0.000 0.221 556 P C 0.466 177.692 177.300 -0.122 0.000 1.150 556 P CA 1.163 64.200 63.100 -0.105 0.000 0.800 556 P CB 0.887 32.497 31.700 -0.149 0.000 0.787 557 A N -1.316 121.402 122.820 -0.170 0.000 2.609 557 A HA 0.742 5.062 4.320 0.000 0.000 0.291 557 A C -1.646 175.801 177.584 -0.228 0.000 1.096 557 A CA -0.171 51.708 52.037 -0.263 0.000 0.684 557 A CB 1.445 20.321 19.000 -0.207 0.000 1.282 557 A HN 0.163 nan 8.150 nan 0.000 0.412 558 A N 0.598 123.207 122.820 -0.350 0.000 2.572 558 A HA 0.835 5.155 4.320 0.000 0.000 0.295 558 A C -0.986 176.490 177.584 -0.179 0.000 1.072 558 A CA -0.254 51.671 52.037 -0.187 0.000 0.691 558 A CB 1.517 20.437 19.000 -0.134 0.000 1.291 558 A HN 1.467 nan 8.150 nan 0.000 0.404 559 M N 2.363 121.962 119.600 -0.003 0.000 2.263 559 M HA 0.607 5.088 4.480 0.000 0.000 0.295 559 M C -2.023 174.319 176.300 0.071 0.000 1.028 559 M CA -0.564 54.792 55.300 0.094 0.000 0.921 559 M CB 1.140 33.843 32.600 0.173 0.000 1.601 559 M HN 0.632 nan 8.290 nan 0.000 0.440 560 I N 4.981 125.629 120.570 0.130 0.000 2.354 560 I HA 0.461 4.631 4.170 0.000 0.000 0.292 560 I C -0.857 175.361 176.117 0.169 0.000 0.989 560 I CA -0.808 60.577 61.300 0.141 0.000 1.188 560 I CB 1.793 39.915 38.000 0.203 0.000 1.342 560 I HN 0.342 nan 8.210 nan 0.000 0.457 561 V N 6.685 126.647 119.914 0.080 0.000 2.487 561 V HA 0.404 4.524 4.120 0.000 0.000 0.298 561 V C -0.886 175.216 176.094 0.014 0.000 1.028 561 V CA -0.699 61.625 62.300 0.039 0.000 0.860 561 V CB 1.740 33.608 31.823 0.074 0.000 0.991 561 V HN 0.460 nan 8.190 nan 0.000 0.427 562 F N 4.241 123.988 119.950 -0.338 0.000 2.499 562 F HA 0.678 5.205 4.527 0.000 0.000 0.333 562 F C -0.614 175.051 175.800 -0.225 0.000 1.138 562 F CA -0.760 56.973 58.000 -0.446 0.000 0.945 562 F CB 1.407 39.686 39.000 -1.201 0.000 1.181 562 F HN 0.497 nan 8.300 nan 0.000 0.435 563 D N 5.155 125.240 120.400 -0.525 0.000 2.350 563 D HA 0.270 4.910 4.640 0.000 0.000 0.245 563 D C -1.188 174.791 176.300 -0.534 0.000 1.036 563 D CA -0.572 53.209 54.000 -0.365 0.000 0.848 563 D CB 2.571 43.393 40.800 0.036 0.000 1.307 563 D HN 0.515 nan 8.370 nan 0.000 0.469 564 K N 1.243 121.372 120.400 -0.450 0.000 2.323 564 K HA 0.524 4.844 4.320 0.000 0.000 0.259 564 K C -1.627 174.755 176.600 -0.363 0.000 0.947 564 K CA -0.631 55.323 56.287 -0.555 0.000 0.819 564 K CB 1.299 33.553 32.500 -0.410 0.000 1.109 564 K HN 0.141 nan 8.250 nan 0.000 0.429 565 V N 4.466 124.145 119.914 -0.391 0.000 2.483 565 V HA 0.350 4.470 4.120 0.000 0.000 0.297 565 V C -0.874 175.074 176.094 -0.243 0.000 1.027 565 V CA -0.952 61.208 62.300 -0.233 0.000 0.855 565 V CB 1.762 33.527 31.823 -0.097 0.000 0.995 565 V HN 0.529 nan 8.190 nan 0.000 0.424 566 V N 4.155 123.961 119.914 -0.180 0.000 2.326 566 V HA 0.728 4.848 4.120 0.000 0.000 0.281 566 V C 0.560 176.606 176.094 -0.080 0.000 1.015 566 V CA -0.527 61.692 62.300 -0.134 0.000 0.823 566 V CB 1.467 33.221 31.823 -0.115 0.000 1.009 566 V HN 0.982 nan 8.190 nan 0.000 0.436 567 A N 3.549 126.339 122.820 -0.050 0.000 2.322 567 A HA 0.547 4.867 4.320 0.000 0.000 0.269 567 A C 1.285 178.848 177.584 -0.034 0.000 1.094 567 A CA -0.132 51.915 52.037 0.016 0.000 0.807 567 A CB 0.638 19.680 19.000 0.071 0.000 1.047 567 A HN 0.769 nan 8.150 nan 0.000 0.487 568 S N 0.626 116.328 115.700 0.003 0.000 2.481 568 S HA -0.026 4.445 4.470 0.000 0.000 0.231 568 S C 0.720 175.180 174.600 -0.233 0.000 0.996 568 S CA 0.772 58.934 58.200 -0.063 0.000 0.942 568 S CB -0.213 63.004 63.200 0.028 0.000 0.768 568 S HN 0.745 nan 8.310 nan 0.000 0.520 569 N N 0.273 118.674 118.700 -0.499 0.000 2.430 569 N HA 0.285 5.025 4.740 0.000 0.000 0.290 569 N C -2.855 172.334 175.510 -0.535 0.000 1.063 569 N CA -1.933 50.680 53.050 -0.728 0.000 0.883 569 N CB 1.975 39.560 38.487 -1.502 0.000 1.465 569 N HN -0.240 nan 8.380 nan 0.000 0.493 570 P HA -0.012 nan 4.420 nan 0.000 0.221 570 P C 0.153 177.388 177.300 -0.109 0.000 1.145 570 P CA 1.016 64.023 63.100 -0.155 0.000 0.795 570 P CB 0.413 32.045 31.700 -0.113 0.000 0.775 571 D N -1.666 118.641 120.400 -0.156 0.000 2.340 571 D HA 0.054 4.695 4.640 0.000 0.000 0.220 571 D C 0.255 176.660 176.300 0.175 0.000 1.039 571 D CA 0.097 54.088 54.000 -0.015 0.000 0.866 571 D CB -0.235 40.556 40.800 -0.014 0.000 0.913 571 D HN 0.269 nan 8.370 nan 0.000 0.523 572 F N 1.881 121.857 119.950 0.044 0.000 2.462 572 F HA 0.122 4.649 4.527 0.000 0.000 0.360 572 F C 1.085 176.950 175.800 0.108 0.000 1.134 572 F CA -0.768 57.283 58.000 0.085 0.000 1.148 572 F CB 0.385 39.416 39.000 0.052 0.000 1.147 572 F HN -0.520 nan 8.300 nan 0.000 0.550 573 K N 4.736 125.349 120.400 0.354 0.000 2.472 573 K HA 0.040 4.360 4.320 0.000 0.000 0.280 573 K C -0.204 176.546 176.600 0.250 0.000 1.028 573 K CA 0.307 56.728 56.287 0.222 0.000 1.045 573 K CB 0.533 33.183 32.500 0.251 0.000 0.902 573 K HN 0.512 nan 8.250 nan 0.000 0.478 574 K N 2.897 123.328 120.400 0.052 0.000 2.138 574 K HA 0.399 4.719 4.320 0.000 0.000 0.263 574 K C -0.814 175.785 176.600 -0.002 0.000 0.965 574 K CA -0.581 55.806 56.287 0.168 0.000 0.868 574 K CB 0.941 33.551 32.500 0.184 0.000 1.083 574 K HN 0.272 nan 8.250 nan 0.000 0.443 575 F N 1.220 121.348 119.950 0.297 0.000 2.561 575 F HA 0.269 4.796 4.527 0.000 0.000 0.313 575 F C -0.763 175.095 175.800 0.097 0.000 1.126 575 F CA -0.768 57.379 58.000 0.245 0.000 0.918 575 F CB 1.269 40.410 39.000 0.234 0.000 1.199 575 F HN 0.542 nan 8.300 nan 0.000 0.444 576 W N 6.406 127.637 121.300 -0.115 0.000 2.475 576 W HA 0.783 5.443 4.660 0.000 0.000 0.317 576 W C -1.881 174.615 176.519 -0.039 0.000 1.046 576 W CA -0.743 56.395 57.345 -0.345 0.000 1.215 576 W CB 1.010 29.907 29.460 -0.938 0.000 1.335 576 W HN 0.366 nan 8.180 nan 0.000 0.471 577 L N 7.327 128.268 121.223 -0.469 0.000 2.334 577 L HA 0.646 4.986 4.340 0.000 0.000 0.276 577 L C -0.944 175.496 176.870 -0.717 0.000 1.014 577 L CA -1.457 53.150 54.840 -0.387 0.000 0.815 577 L CB 1.457 43.390 42.059 -0.211 0.000 1.268 577 L HN 0.333 nan 8.230 nan 0.000 0.428 578 L N 2.825 123.814 121.223 -0.391 0.000 2.446 578 L HA 0.435 4.775 4.340 0.000 0.000 0.268 578 L C -0.737 176.064 176.870 -0.116 0.000 0.975 578 L CA -0.035 54.668 54.840 -0.228 0.000 0.848 578 L CB 1.000 43.087 42.059 0.046 0.000 1.225 578 L HN 0.450 nan 8.230 nan 0.000 0.410 579 H N 2.611 121.661 119.070 -0.033 0.000 2.487 579 H HA 0.758 5.314 4.556 0.000 0.000 0.333 579 H C -0.318 175.069 175.328 0.099 0.000 1.114 579 H CA -0.023 56.061 56.048 0.060 0.000 1.310 579 H CB 1.829 31.619 29.762 0.046 0.000 1.462 579 H HN 0.716 nan 8.280 nan 0.000 0.516 580 S N 1.669 117.522 115.700 0.255 0.000 2.618 580 S HA 0.364 4.834 4.470 0.000 0.000 0.277 580 S C 0.818 175.551 174.600 0.222 0.000 1.138 580 S CA -0.847 57.475 58.200 0.204 0.000 0.844 580 S CB 1.174 64.467 63.200 0.154 0.000 1.127 580 S HN 0.512 nan 8.310 nan 0.000 0.474 581 I N 0.822 121.487 120.570 0.159 0.000 2.162 581 I HA 0.016 4.186 4.170 0.000 0.000 0.238 581 I C 1.149 177.399 176.117 0.221 0.000 1.076 581 I CA 1.030 62.420 61.300 0.149 0.000 1.353 581 I CB -0.222 37.825 38.000 0.079 0.000 1.063 581 I HN 0.693 nan 8.210 nan 0.000 0.408 582 E N 0.794 121.074 120.200 0.133 0.000 2.280 582 E HA 0.175 4.525 4.350 0.000 0.000 0.261 582 E C -0.282 176.201 176.600 -0.195 0.000 1.088 582 E CA -0.619 55.814 56.400 0.055 0.000 0.915 582 E CB 0.609 30.301 29.700 -0.012 0.000 1.141 582 E HN 0.133 nan 8.360 nan 0.000 0.433 583 Q N 2.419 121.851 119.800 -0.614 0.000 2.274 583 Q HA 0.072 4.412 4.340 0.000 0.000 0.280 583 Q C -2.078 173.535 176.000 -0.645 0.000 1.047 583 Q CA -1.498 53.505 55.803 -1.333 0.000 0.907 583 Q CB 0.478 28.399 28.738 -1.362 0.000 1.171 583 Q HN 0.188 nan 8.270 nan 0.000 0.381 584 P HA 0.110 nan 4.420 nan 0.000 0.277 584 P C -1.134 176.029 177.300 -0.228 0.000 1.240 584 P CA -0.115 62.849 63.100 -0.228 0.000 0.798 584 P CB 0.957 32.606 31.700 -0.085 0.000 0.979 585 E N 2.112 122.235 120.200 -0.128 0.000 2.151 585 E HA 0.440 4.790 4.350 0.000 0.000 0.275 585 E C -0.199 176.374 176.600 -0.045 0.000 0.936 585 E CA -0.627 55.715 56.400 -0.098 0.000 0.777 585 E CB 1.501 31.152 29.700 -0.081 0.000 1.108 585 E HN 0.409 nan 8.360 nan 0.000 0.401 586 I N 2.393 122.943 120.570 -0.034 0.000 2.378 586 I HA 0.272 4.442 4.170 0.000 0.000 0.291 586 I C 0.015 176.129 176.117 -0.005 0.000 0.992 586 I CA -0.713 60.585 61.300 -0.004 0.000 1.154 586 I CB 1.143 39.151 38.000 0.013 0.000 1.315 586 I HN 0.133 nan 8.210 nan 0.000 0.448 587 K N 5.282 125.682 120.400 0.000 0.000 2.664 587 K HA 0.632 4.952 4.320 0.000 0.000 0.234 587 K C 0.060 176.661 176.600 0.002 0.000 0.980 587 K CA 0.270 56.556 56.287 -0.002 0.000 0.996 587 K CB 1.011 33.507 32.500 -0.006 0.000 1.190 587 K HN 0.793 nan 8.250 nan 0.000 0.479 588 G N 3.572 112.374 108.800 0.004 0.000 2.543 588 G HA2 -0.389 3.571 3.960 0.000 0.000 0.286 588 G HA3 -0.389 3.571 3.960 0.000 0.000 0.286 588 G C 0.129 175.032 174.900 0.006 0.000 1.153 588 G CA 0.367 45.469 45.100 0.003 0.000 0.968 588 G HN 0.807 nan 8.290 nan 0.000 0.544 589 N N 1.530 120.230 118.700 0.001 0.000 2.276 589 N HA 0.148 4.888 4.740 0.000 0.000 0.212 589 N C 0.510 176.021 175.510 0.001 0.000 1.127 589 N CA 0.966 54.014 53.050 -0.003 0.000 0.834 589 N CB 0.651 39.129 38.487 -0.014 0.000 1.014 589 N HN 0.907 nan 8.380 nan 0.000 0.491 590 Q N 0.738 120.545 119.800 0.010 0.000 2.331 590 Q HA 0.506 4.846 4.340 0.000 0.000 0.267 590 Q C -1.353 174.665 176.000 0.030 0.000 1.006 590 Q CA -0.640 55.174 55.803 0.017 0.000 0.818 590 Q CB 1.207 29.951 28.738 0.011 0.000 1.276 590 Q HN 0.234 nan 8.270 nan 0.000 0.450 591 I N 3.148 123.749 120.570 0.051 0.000 2.362 591 I HA 0.322 4.492 4.170 0.000 0.000 0.289 591 I C -0.533 175.619 176.117 0.058 0.000 0.994 591 I CA -0.421 60.918 61.300 0.065 0.000 1.158 591 I CB 2.114 40.187 38.000 0.122 0.000 1.315 591 I HN 0.515 nan 8.210 nan 0.000 0.451 592 T N 7.173 121.744 114.554 0.028 0.000 2.779 592 T HA 0.637 4.987 4.350 0.000 0.000 0.280 592 T C -0.228 174.476 174.700 0.007 0.000 0.987 592 T CA -0.282 61.830 62.100 0.020 0.000 0.966 592 T CB 0.969 69.837 68.868 0.001 0.000 0.933 592 T HN 0.250 nan 8.240 nan 0.000 0.442 593 I N 3.243 123.831 120.570 0.029 0.000 2.465 593 I HA 0.456 4.626 4.170 0.000 0.000 0.291 593 I C -0.077 176.053 176.117 0.021 0.000 1.014 593 I CA -0.708 60.605 61.300 0.021 0.000 1.093 593 I CB 1.746 39.784 38.000 0.064 0.000 1.267 593 I HN 0.326 nan 8.210 nan 0.000 0.431 594 K N 5.460 125.858 120.400 -0.003 0.000 2.375 594 K HA 0.595 4.915 4.320 0.000 0.000 0.249 594 K C -0.873 175.726 176.600 -0.002 0.000 0.942 594 K CA -1.054 55.234 56.287 0.002 0.000 0.806 594 K CB 2.222 34.716 32.500 -0.010 0.000 1.227 594 K HN 0.365 nan 8.250 nan 0.000 0.430 595 R N 1.219 121.717 120.500 -0.003 0.000 2.346 595 R HA 0.219 4.560 4.340 0.000 0.000 0.311 595 R C 0.175 176.466 176.300 -0.015 0.000 0.983 595 R CA -0.101 55.991 56.100 -0.013 0.000 0.880 595 R CB 1.484 31.762 30.300 -0.036 0.000 1.100 595 R HN 0.904 nan 8.270 nan 0.000 0.453 596 T N -1.258 113.290 114.554 -0.010 0.000 3.144 596 T HA 0.308 4.658 4.350 0.000 0.000 0.290 596 T C 0.201 174.898 174.700 -0.004 0.000 0.966 596 T CA -0.297 61.798 62.100 -0.009 0.000 0.907 596 T CB 0.557 69.419 68.868 -0.010 0.000 1.152 596 T HN 0.338 nan 8.240 nan 0.000 0.532 597 K N 1.059 121.458 120.400 -0.002 0.000 2.400 597 K HA 0.605 4.925 4.320 0.000 0.000 0.246 597 K C -0.416 176.188 176.600 0.007 0.000 0.995 597 K CA -1.050 55.240 56.287 0.005 0.000 0.840 597 K CB 1.185 33.692 32.500 0.012 0.000 1.293 597 K HN 0.000 nan 8.250 nan 0.000 0.445 598 N N 0.132 118.839 118.700 0.012 0.000 2.708 598 N HA -0.237 4.503 4.740 0.000 0.000 0.251 598 N C 0.455 175.974 175.510 0.015 0.000 1.123 598 N CA 0.850 53.911 53.050 0.018 0.000 0.739 598 N CB -1.072 37.431 38.487 0.027 0.000 1.113 598 N HN 1.006 nan 8.380 nan 0.000 0.561 599 G N -1.703 107.100 108.800 0.006 0.000 2.179 599 G HA2 -0.311 3.649 3.960 0.000 0.000 0.260 599 G HA3 -0.311 3.649 3.960 0.000 0.000 0.260 599 G C -0.356 174.535 174.900 -0.015 0.000 0.977 599 G CA 0.357 45.457 45.100 0.000 0.000 0.641 599 G HN 0.497 nan 8.290 nan 0.000 0.533 600 D N 0.156 120.543 120.400 -0.021 0.000 2.304 600 D HA 0.566 5.206 4.640 0.000 0.000 0.247 600 D C 1.253 177.517 176.300 -0.060 0.000 1.089 600 D CA 0.662 54.627 54.000 -0.057 0.000 0.910 600 D CB 1.438 42.202 40.800 -0.059 0.000 1.199 600 D HN 0.496 nan 8.370 nan 0.000 0.426 601 S N -0.785 114.860 115.700 -0.092 0.000 2.993 601 S HA 0.282 4.752 4.470 0.000 0.000 0.257 601 S C 0.760 175.337 174.600 -0.038 0.000 0.997 601 S CA -0.623 57.543 58.200 -0.056 0.000 1.191 601 S CB 0.144 63.317 63.200 -0.045 0.000 1.143 601 S HN 0.432 nan 8.310 nan 0.000 0.655 602 G N 1.714 110.472 108.800 -0.070 0.000 2.636 602 G HA2 0.527 4.487 3.960 0.000 0.000 0.246 602 G HA3 0.527 4.487 3.960 0.000 0.000 0.246 602 G C -0.679 174.278 174.900 0.095 0.000 1.216 602 G CA -0.407 44.725 45.100 0.053 0.000 0.854 602 G HN 0.502 nan 8.290 nan 0.000 0.572 603 M N 0.965 120.661 119.600 0.160 0.000 2.378 603 M HA 0.588 5.068 4.480 0.000 0.000 0.289 603 M C -1.868 174.486 176.300 0.090 0.000 1.136 603 M CA -0.814 54.542 55.300 0.093 0.000 0.917 603 M CB 2.231 34.871 32.600 0.066 0.000 1.669 603 M HN 0.490 nan 8.290 nan 0.000 0.461 604 L N 5.276 126.549 121.223 0.083 0.000 2.362 604 L HA 0.841 5.181 4.340 0.000 0.000 0.275 604 L C -1.846 175.075 176.870 0.085 0.000 0.998 604 L CA -0.652 54.246 54.840 0.097 0.000 0.820 604 L CB 1.982 44.125 42.059 0.139 0.000 1.270 604 L HN 0.599 nan 8.230 nan 0.000 0.415 605 V N 3.941 123.902 119.914 0.079 0.000 2.447 605 V HA 0.345 4.465 4.120 0.000 0.000 0.292 605 V C -0.594 175.550 176.094 0.083 0.000 1.021 605 V CA -0.652 61.689 62.300 0.069 0.000 0.850 605 V CB 1.631 33.478 31.823 0.040 0.000 1.005 605 V HN 0.782 nan 8.190 nan 0.000 0.426 606 N N 2.730 121.494 118.700 0.106 0.000 2.422 606 N HA 0.392 5.132 4.740 0.000 0.000 0.266 606 N C -0.346 175.194 175.510 0.049 0.000 1.007 606 N CA -0.030 53.085 53.050 0.108 0.000 0.941 606 N CB 1.330 39.936 38.487 0.198 0.000 1.115 606 N HN 0.636 nan 8.380 nan 0.000 0.492 607 T N 2.487 117.052 114.554 0.017 0.000 2.743 607 T HA 0.515 4.865 4.350 0.000 0.000 0.292 607 T C -0.150 174.519 174.700 -0.052 0.000 0.972 607 T CA -0.557 61.537 62.100 -0.011 0.000 0.967 607 T CB 0.809 69.673 68.868 -0.008 0.000 0.926 607 T HN 0.596 nan 8.240 nan 0.000 0.459 608 A N 4.155 126.934 122.820 -0.067 0.000 2.347 608 A HA 0.523 4.843 4.320 0.000 0.000 0.287 608 A C 0.957 178.495 177.584 -0.077 0.000 1.199 608 A CA -0.461 51.508 52.037 -0.113 0.000 0.851 608 A CB -0.109 18.825 19.000 -0.108 0.000 1.118 608 A HN 0.979 nan 8.150 nan 0.000 0.525 609 L N 2.212 123.387 121.223 -0.080 0.000 2.388 609 L HA 0.301 4.641 4.340 0.000 0.000 0.209 609 L C -0.079 176.760 176.870 -0.051 0.000 1.061 609 L CA 0.639 55.444 54.840 -0.058 0.000 0.834 609 L CB -0.083 41.942 42.059 -0.056 0.000 1.029 609 L HN 0.545 nan 8.230 nan 0.000 0.473 610 L N -0.283 120.909 121.223 -0.051 0.000 2.431 610 L HA 0.455 4.795 4.340 0.000 0.000 0.266 610 L C -2.549 174.267 176.870 -0.089 0.000 0.978 610 L CA -2.013 52.799 54.840 -0.048 0.000 0.822 610 L CB 2.198 44.262 42.059 0.009 0.000 1.310 610 L HN -0.295 nan 8.230 nan 0.000 0.409 611 P HA -0.024 nan 4.420 nan 0.000 0.268 611 P C -1.046 176.215 177.300 -0.066 0.000 1.208 611 P CA -0.168 62.862 63.100 -0.117 0.000 0.777 611 P CB 0.316 31.929 31.700 -0.144 0.000 0.875 612 D N 1.502 121.872 120.400 -0.050 0.000 2.368 612 D HA 0.004 4.644 4.640 0.000 0.000 0.240 612 D C 1.071 177.352 176.300 -0.031 0.000 1.169 612 D CA -0.265 53.712 54.000 -0.038 0.000 0.906 612 D CB 0.788 41.569 40.800 -0.032 0.000 1.187 612 D HN 0.316 nan 8.370 nan 0.000 0.435 613 A N 1.891 124.696 122.820 -0.024 0.000 2.009 613 A HA -0.171 4.149 4.320 0.000 0.000 0.222 613 A C 2.182 179.758 177.584 -0.013 0.000 1.175 613 A CA 2.606 54.634 52.037 -0.016 0.000 0.651 613 A CB -0.977 18.016 19.000 -0.013 0.000 0.815 613 A HN 0.770 nan 8.150 nan 0.000 0.459 614 A N -1.449 121.361 122.820 -0.016 0.000 2.167 614 A HA 0.046 4.366 4.320 0.000 0.000 0.214 614 A C 1.496 179.070 177.584 -0.016 0.000 1.151 614 A CA 1.443 53.472 52.037 -0.014 0.000 0.735 614 A CB -0.316 18.677 19.000 -0.013 0.000 0.802 614 A HN 0.514 nan 8.150 nan 0.000 0.467 615 N N -0.921 117.765 118.700 -0.023 0.000 2.299 615 N HA 0.102 4.842 4.740 0.000 0.000 0.246 615 N C -0.715 174.775 175.510 -0.033 0.000 1.254 615 N CA 0.256 53.287 53.050 -0.031 0.000 0.879 615 N CB 0.549 39.011 38.487 -0.042 0.000 1.214 615 N HN 0.087 nan 8.380 nan 0.000 0.510 616 S N -0.153 115.536 115.700 -0.019 0.000 2.498 616 S HA 0.489 4.959 4.470 0.000 0.000 0.317 616 S C -1.326 173.283 174.600 0.014 0.000 1.090 616 S CA -0.690 57.507 58.200 -0.004 0.000 1.089 616 S CB 0.250 63.447 63.200 -0.006 0.000 0.997 616 S HN 0.164 nan 8.310 nan 0.000 0.470 617 N N 4.526 123.243 118.700 0.028 0.000 2.446 617 N HA 0.452 5.192 4.740 0.000 0.000 0.265 617 N C -1.106 174.448 175.510 0.073 0.000 0.975 617 N CA -0.233 52.841 53.050 0.041 0.000 0.928 617 N CB 1.262 39.768 38.487 0.032 0.000 1.160 617 N HN 0.621 nan 8.380 nan 0.000 0.495 618 I N 1.800 122.414 120.570 0.073 0.000 2.355 618 I HA 0.280 4.450 4.170 0.000 0.000 0.288 618 I C -0.182 175.993 176.117 0.095 0.000 0.999 618 I CA -0.277 61.082 61.300 0.099 0.000 1.163 618 I CB 1.431 39.481 38.000 0.084 0.000 1.316 618 I HN 0.176 nan 8.210 nan 0.000 0.454 619 T N 3.429 118.057 114.554 0.122 0.000 2.881 619 T HA 0.351 4.701 4.350 0.000 0.000 0.290 619 T C -0.209 174.568 174.700 0.130 0.000 1.000 619 T CA -0.796 61.371 62.100 0.111 0.000 0.978 619 T CB 1.629 70.564 68.868 0.112 0.000 0.997 619 T HN 0.604 nan 8.240 nan 0.000 0.443 620 S N 2.959 118.736 115.700 0.129 0.000 2.508 620 S HA 0.764 5.234 4.470 0.000 0.000 0.284 620 S C -0.397 174.338 174.600 0.226 0.000 1.192 620 S CA -0.774 57.547 58.200 0.201 0.000 1.070 620 S CB 0.142 63.455 63.200 0.188 0.000 1.004 620 S HN 0.620 nan 8.310 nan 0.000 0.493 621 I N 2.479 123.168 120.570 0.199 0.000 2.498 621 I HA 0.777 4.947 4.170 0.000 0.000 0.290 621 I C 0.595 176.584 176.117 -0.213 0.000 1.032 621 I CA -0.362 60.920 61.300 -0.030 0.000 1.073 621 I CB 1.880 39.812 38.000 -0.114 0.000 1.251 621 I HN 1.045 nan 8.210 nan 0.000 0.426 622 G N 3.071 111.399 108.800 -0.786 0.000 2.336 622 G HA2 0.547 4.507 3.960 0.000 0.000 0.286 622 G HA3 0.547 4.507 3.960 0.000 0.000 0.286 622 G C -0.530 173.302 174.900 -1.780 0.000 1.269 622 G CA 0.120 44.313 45.100 -1.510 0.000 0.873 622 G HN 1.198 nan 8.290 nan 0.000 0.494 623 G N -0.979 106.776 108.800 -1.741 0.000 2.796 623 G HA2 0.187 4.147 3.960 0.000 0.000 0.571 623 G HA3 0.187 4.147 3.960 0.000 0.000 0.571 623 G C -0.124 174.482 174.900 -0.489 0.000 1.370 623 G CA 0.062 44.707 45.100 -0.759 0.000 0.856 623 G HN 0.964 nan 8.290 nan 0.000 0.538 624 K N 1.062 121.297 120.400 -0.274 0.000 2.504 624 K HA 0.298 4.618 4.320 0.000 0.000 0.278 624 K C 1.665 178.138 176.600 -0.212 0.000 1.025 624 K CA 1.838 58.001 56.287 -0.207 0.000 1.093 624 K CB 0.013 32.441 32.500 -0.119 0.000 0.873 624 K HN 2.331 nan 8.250 nan 0.000 0.483 625 G N 3.222 111.912 108.800 -0.183 0.000 2.179 625 G HA2 -0.263 3.697 3.960 0.000 0.000 0.260 625 G HA3 -0.263 3.697 3.960 0.000 0.000 0.260 625 G C 0.588 175.419 174.900 -0.116 0.000 0.977 625 G CA 0.408 45.438 45.100 -0.117 0.000 0.641 625 G HN 0.570 nan 8.290 nan 0.000 0.533 626 K N 0.234 120.474 120.400 -0.266 0.000 2.554 626 K HA 0.125 4.445 4.320 0.000 0.000 0.211 626 K C 1.458 177.847 176.600 -0.351 0.000 1.226 626 K CA 0.685 56.799 56.287 -0.289 0.000 1.025 626 K CB 0.646 32.828 32.500 -0.530 0.000 1.021 626 K HN 0.472 nan 8.250 nan 0.000 0.600 627 D N 0.372 120.457 120.400 -0.525 0.000 2.144 627 D HA -0.163 4.477 4.640 0.000 0.000 0.199 627 D C 0.656 176.435 176.300 -0.868 0.000 0.984 627 D CA 0.965 54.488 54.000 -0.796 0.000 0.834 627 D CB -0.353 39.795 40.800 -1.086 0.000 0.955 627 D HN 0.195 nan 8.370 nan 0.000 0.465 628 F N -0.180 119.594 119.950 -0.294 0.000 2.831 628 F HA 0.217 4.744 4.527 0.000 0.000 0.355 628 F C 0.178 175.878 175.800 -0.167 0.000 1.341 628 F CA -1.442 56.144 58.000 -0.689 0.000 1.201 628 F CB 0.246 38.776 39.000 -0.782 0.000 1.058 628 F HN -0.087 nan 8.300 nan 0.000 0.514 629 W N 3.112 124.372 121.300 -0.067 0.000 2.356 629 W HA 0.457 5.117 4.660 0.000 0.000 0.311 629 W C -1.340 175.202 176.519 0.038 0.000 1.328 629 W CA -0.178 57.144 57.345 -0.038 0.000 1.251 629 W CB 1.257 30.635 29.460 -0.138 0.000 1.280 629 W HN -0.246 nan 8.180 nan 0.000 0.524 630 V N 9.188 128.870 119.914 -0.386 0.000 2.289 630 V HA 0.110 4.230 4.120 0.000 0.000 0.272 630 V C -0.161 175.681 176.094 -0.421 0.000 1.026 630 V CA -0.874 61.283 62.300 -0.238 0.000 0.807 630 V CB -0.058 31.871 31.823 0.177 0.000 1.044 630 V HN 0.489 nan 8.190 nan 0.000 0.443 631 F N 3.853 123.535 119.950 -0.446 0.000 2.729 631 F HA -0.178 4.349 4.527 0.000 0.000 0.208 631 F C 1.564 177.140 175.800 -0.374 0.000 1.040 631 F CA 1.291 59.111 58.000 -0.301 0.000 0.844 631 F CB -1.184 37.688 39.000 -0.213 0.000 0.704 631 F HN 0.834 nan 8.300 nan 0.000 0.849 632 G N -1.221 107.167 108.800 -0.687 0.000 2.255 632 G HA2 -0.118 3.842 3.960 0.000 0.000 0.196 632 G HA3 -0.118 3.842 3.960 0.000 0.000 0.196 632 G C 0.001 174.394 174.900 -0.846 0.000 0.998 632 G CA -0.129 44.683 45.100 -0.479 0.000 0.656 632 G HN 0.588 nan 8.290 nan 0.000 0.490 633 T N 1.074 114.950 114.554 -1.130 0.000 2.881 633 T HA 0.494 4.844 4.350 0.000 0.000 0.290 633 T C -0.814 173.361 174.700 -0.875 0.000 1.000 633 T CA -0.597 60.997 62.100 -0.843 0.000 0.978 633 T CB 1.821 70.305 68.868 -0.641 0.000 0.997 633 T HN 0.280 nan 8.240 nan 0.000 0.443 634 N N 2.397 120.804 118.700 -0.489 0.000 2.426 634 N HA 0.168 4.908 4.740 0.000 0.000 0.257 634 N C -1.020 174.353 175.510 -0.228 0.000 1.002 634 N CA -0.304 52.665 53.050 -0.136 0.000 0.942 634 N CB 0.577 39.159 38.487 0.158 0.000 1.112 634 N HN 0.576 nan 8.380 nan 0.000 0.499 635 Y N 2.480 122.825 120.300 0.075 0.000 2.636 635 Y HA 0.067 4.617 4.550 0.000 0.000 0.334 635 Y C 0.843 176.887 175.900 0.241 0.000 1.286 635 Y CA -0.291 57.880 58.100 0.119 0.000 1.688 635 Y CB -0.144 38.370 38.460 0.090 0.000 1.662 635 Y HN 0.293 nan 8.280 nan 0.000 0.465 636 T N 2.087 116.778 114.554 0.229 0.000 2.905 636 T HA -0.091 4.259 4.350 0.000 0.000 0.299 636 T C 0.420 175.191 174.700 0.119 0.000 1.024 636 T CA 0.392 62.621 62.100 0.215 0.000 1.151 636 T CB -0.047 68.868 68.868 0.078 0.000 0.987 636 T HN 0.488 nan 8.240 nan 0.000 0.535 637 N N 2.457 121.218 118.700 0.101 0.000 2.785 637 N HA 0.119 4.859 4.740 0.000 0.000 0.224 637 N C -1.550 173.942 175.510 -0.029 0.000 1.448 637 N CA -0.467 52.460 53.050 -0.206 0.000 0.748 637 N CB 0.554 38.415 38.487 -1.043 0.000 1.385 637 N HN 0.402 nan 8.380 nan 0.000 0.538 638 D N 1.115 121.523 120.400 0.014 0.000 2.362 638 D HA 0.241 4.881 4.640 0.000 0.000 0.242 638 D C -2.149 174.150 176.300 -0.002 0.000 1.132 638 D CA -0.886 53.129 54.000 0.024 0.000 0.907 638 D CB 0.661 41.467 40.800 0.010 0.000 1.195 638 D HN 0.312 nan 8.370 nan 0.000 0.429 639 P HA 0.054 nan 4.420 nan 0.000 0.274 639 P C -0.107 177.197 177.300 0.008 0.000 1.231 639 P CA -0.423 62.689 63.100 0.020 0.000 0.790 639 P CB 0.607 32.337 31.700 0.051 0.000 0.951 640 K N 2.658 123.060 120.400 0.004 0.000 2.436 640 K HA 0.137 4.457 4.320 0.000 0.000 0.275 640 K C -2.072 174.535 176.600 0.013 0.000 0.999 640 K CA -1.376 54.913 56.287 0.003 0.000 0.980 640 K CB -0.738 31.763 32.500 0.002 0.000 0.919 640 K HN 0.398 nan 8.250 nan 0.000 0.484 641 P HA -0.099 nan 4.420 nan 0.000 0.261 641 P C 0.739 178.049 177.300 0.017 0.000 1.183 641 P CA 0.804 63.912 63.100 0.013 0.000 0.761 641 P CB 0.283 31.988 31.700 0.008 0.000 0.785 642 G N 2.059 110.871 108.800 0.021 0.000 2.199 642 G HA2 -0.224 3.736 3.960 0.000 0.000 0.254 642 G HA3 -0.224 3.736 3.960 0.000 0.000 0.254 642 G C 0.326 175.246 174.900 0.034 0.000 0.982 642 G CA 0.471 45.586 45.100 0.025 0.000 0.632 642 G HN 0.892 nan 8.290 nan 0.000 0.529 643 T N -2.186 112.392 114.554 0.039 0.000 2.944 643 T HA 0.514 4.864 4.350 0.000 0.000 0.284 643 T C 0.180 174.927 174.700 0.077 0.000 1.010 643 T CA 0.744 62.877 62.100 0.055 0.000 1.025 643 T CB 1.833 70.730 68.868 0.048 0.000 1.079 643 T HN 1.041 nan 8.240 nan 0.000 0.516 644 D N 0.812 121.282 120.400 0.116 0.000 2.740 644 D HA -0.182 4.458 4.640 0.000 0.000 0.231 644 D C 1.037 177.395 176.300 0.096 0.000 1.194 644 D CA 1.131 55.226 54.000 0.157 0.000 0.673 644 D CB -0.909 40.023 40.800 0.221 0.000 0.995 644 D HN 0.933 nan 8.370 nan 0.000 0.411 645 E N -0.355 119.891 120.200 0.077 0.000 2.333 645 E HA -0.109 4.241 4.350 0.000 0.000 0.198 645 E C 1.557 178.185 176.600 0.046 0.000 1.007 645 E CA 1.051 57.483 56.400 0.054 0.000 0.845 645 E CB 0.016 29.743 29.700 0.046 0.000 0.766 645 E HN 0.398 nan 8.360 nan 0.000 0.507 646 A N 0.770 123.619 122.820 0.049 0.000 2.308 646 A HA 0.256 4.577 4.320 0.000 0.000 0.217 646 A C 1.014 178.607 177.584 0.016 0.000 1.216 646 A CA -0.182 51.874 52.037 0.032 0.000 0.864 646 A CB 0.019 19.040 19.000 0.035 0.000 0.902 646 A HN 0.275 nan 8.150 nan 0.000 0.499 647 L N 0.029 121.266 121.223 0.023 0.000 3.677 647 L HA -0.228 4.112 4.340 0.000 0.000 0.464 647 L C 0.919 177.762 176.870 -0.046 0.000 1.278 647 L CA 1.112 55.962 54.840 0.017 0.000 0.806 647 L CB -1.732 40.344 42.059 0.030 0.000 1.610 647 L HN 0.626 nan 8.230 nan 0.000 0.867 648 E N -0.152 119.930 120.200 -0.196 0.000 2.418 648 E HA -0.173 4.177 4.350 0.000 0.000 0.197 648 E C 1.804 178.123 176.600 -0.468 0.000 1.026 648 E CA 0.795 56.937 56.400 -0.429 0.000 0.862 648 E CB -0.041 29.217 29.700 -0.738 0.000 0.799 648 E HN 0.786 nan 8.360 nan 0.000 0.518 649 R N 1.393 121.773 120.500 -0.201 0.000 2.193 649 R HA -0.047 4.293 4.340 0.000 0.000 0.229 649 R C 0.862 177.337 176.300 0.292 0.000 1.110 649 R CA 1.137 57.366 56.100 0.215 0.000 0.988 649 R CB -0.504 30.025 30.300 0.381 0.000 0.871 649 R HN 0.035 nan 8.270 nan 0.000 0.458 650 G N 0.404 109.284 108.800 0.133 0.000 2.730 650 G HA2 -0.228 3.732 3.960 0.000 0.000 0.686 650 G HA3 -0.228 3.732 3.960 0.000 0.000 0.686 650 G C -0.354 174.542 174.900 -0.007 0.000 1.343 650 G CA 0.015 45.191 45.100 0.126 0.000 0.826 650 G HN 0.304 nan 8.290 nan 0.000 0.582 651 E N -1.005 119.191 120.200 -0.006 0.000 2.603 651 E HA 0.213 4.563 4.350 0.000 0.000 0.224 651 E C -0.331 175.986 176.600 -0.472 0.000 0.896 651 E CA -0.114 56.122 56.400 -0.273 0.000 1.224 651 E CB 0.807 30.393 29.700 -0.190 0.000 1.206 651 E HN 0.460 nan 8.360 nan 0.000 0.576 652 W N 1.201 122.491 121.300 -0.017 0.000 3.033 652 W HA 0.418 5.078 4.660 0.000 0.000 0.336 652 W C -0.416 176.107 176.519 0.006 0.000 1.173 652 W CA -0.767 56.569 57.345 -0.015 0.000 1.185 652 W CB 1.350 30.801 29.460 -0.016 0.000 1.425 652 W HN -0.184 nan 8.180 nan 0.000 0.536 653 R N -0.061 120.570 120.500 0.219 0.000 2.739 653 R HA 0.876 5.216 4.340 0.000 0.000 0.271 653 R C -2.176 174.176 176.300 0.087 0.000 1.010 653 R CA -0.926 55.173 56.100 -0.002 0.000 0.897 653 R CB 1.499 31.575 30.300 -0.372 0.000 1.236 653 R HN 0.247 nan 8.270 nan 0.000 0.466 654 V N 1.372 121.318 119.914 0.054 0.000 2.513 654 V HA 0.382 4.502 4.120 0.000 0.000 0.299 654 V C -0.416 175.771 176.094 0.154 0.000 1.035 654 V CA -0.680 61.702 62.300 0.137 0.000 0.889 654 V CB 1.701 33.640 31.823 0.194 0.000 0.988 654 V HN 0.760 nan 8.190 nan 0.000 0.440 655 E N 4.563 124.889 120.200 0.211 0.000 2.165 655 E HA 0.543 4.893 4.350 0.000 0.000 0.266 655 E C -1.184 175.600 176.600 0.307 0.000 0.889 655 E CA -0.451 56.129 56.400 0.299 0.000 0.756 655 E CB 2.399 32.330 29.700 0.385 0.000 1.131 655 E HN 0.529 nan 8.360 nan 0.000 0.411 656 I N 2.997 123.795 120.570 0.381 0.000 2.321 656 I HA 0.237 4.408 4.170 0.000 0.000 0.291 656 I C 0.042 176.358 176.117 0.332 0.000 0.998 656 I CA -0.410 61.085 61.300 0.325 0.000 1.227 656 I CB 1.301 39.491 38.000 0.316 0.000 1.368 656 I HN 0.472 nan 8.210 nan 0.000 0.466 657 T N 3.498 118.159 114.554 0.180 0.000 2.893 657 T HA 0.538 4.888 4.350 0.000 0.000 0.293 657 T C -2.840 171.870 174.700 0.018 0.000 1.027 657 T CA -2.486 59.644 62.100 0.049 0.000 0.988 657 T CB 1.945 70.711 68.868 -0.171 0.000 1.043 657 T HN 0.110 nan 8.240 nan 0.000 0.461 658 P HA 0.262 nan 4.420 nan 0.000 0.268 658 P C 0.531 177.801 177.300 -0.050 0.000 1.204 658 P CA -0.440 62.615 63.100 -0.075 0.000 0.768 658 P CB 0.730 32.363 31.700 -0.111 0.000 0.842 659 K N 1.708 122.085 120.400 -0.037 0.000 2.031 659 K HA -0.086 4.234 4.320 0.000 0.000 0.205 659 K C 0.875 177.461 176.600 -0.023 0.000 1.049 659 K CA 1.189 57.463 56.287 -0.022 0.000 0.939 659 K CB -0.017 32.473 32.500 -0.016 0.000 0.717 659 K HN 0.349 nan 8.250 nan 0.000 0.438 660 K N 0.903 121.285 120.400 -0.030 0.000 2.172 660 K HA 0.265 4.585 4.320 0.000 0.000 0.276 660 K C -1.154 175.426 176.600 -0.033 0.000 1.013 660 K CA -0.415 55.856 56.287 -0.027 0.000 0.913 660 K CB 1.395 33.879 32.500 -0.027 0.000 1.055 660 K HN 0.025 nan 8.250 nan 0.000 0.461 661 A N 2.691 125.496 122.820 -0.025 0.000 2.409 661 A HA 0.584 4.904 4.320 0.000 0.000 0.267 661 A C -0.705 176.857 177.584 -0.037 0.000 1.127 661 A CA -0.097 51.924 52.037 -0.026 0.000 0.795 661 A CB 0.349 19.339 19.000 -0.016 0.000 1.061 661 A HN 0.787 nan 8.150 nan 0.000 0.502 662 A N 1.313 124.105 122.820 -0.047 0.000 2.574 662 A HA 0.704 5.024 4.320 0.000 0.000 0.297 662 A C 0.705 178.248 177.584 -0.067 0.000 1.062 662 A CA 0.058 52.062 52.037 -0.055 0.000 0.686 662 A CB 0.437 19.406 19.000 -0.052 0.000 1.285 662 A HN 2.006 nan 8.150 nan 0.000 0.403 663 A N 0.523 123.299 122.820 -0.072 0.000 1.877 663 A HA 0.074 4.394 4.320 0.000 0.000 0.216 663 A C 0.915 178.442 177.584 -0.095 0.000 1.186 663 A CA 1.923 53.910 52.037 -0.084 0.000 0.620 663 A CB -0.327 18.626 19.000 -0.079 0.000 0.822 663 A HN 0.833 nan 8.150 nan 0.000 0.443 664 E N 0.580 120.720 120.200 -0.099 0.000 2.151 664 E HA 0.367 4.717 4.350 0.000 0.000 0.275 664 E C -1.580 174.907 176.600 -0.187 0.000 0.936 664 E CA -0.586 55.719 56.400 -0.159 0.000 0.777 664 E CB 0.618 30.256 29.700 -0.103 0.000 1.108 664 E HN 0.397 nan 8.360 nan 0.000 0.401 665 D N 3.044 123.250 120.400 -0.323 0.000 2.732 665 D HA 0.246 4.886 4.640 0.000 0.000 0.229 665 D C -1.269 174.688 176.300 -0.572 0.000 1.152 665 D CA -0.391 53.410 54.000 -0.332 0.000 0.854 665 D CB 1.353 41.964 40.800 -0.315 0.000 1.590 665 D HN 0.379 nan 8.370 nan 0.000 0.468 666 Y N 0.397 120.527 120.300 -0.284 0.000 2.393 666 Y HA 0.385 4.936 4.550 0.000 0.000 0.341 666 Y C -0.475 175.206 175.900 -0.365 0.000 0.988 666 Y CA -0.761 57.169 58.100 -0.284 0.000 1.078 666 Y CB 1.418 39.797 38.460 -0.135 0.000 1.203 666 Y HN 0.233 nan 8.280 nan 0.000 0.453 667 Y N 3.126 123.391 120.300 -0.058 0.000 2.352 667 Y HA 0.577 5.127 4.550 0.000 0.000 0.339 667 Y C -0.838 175.032 175.900 -0.050 0.000 0.992 667 Y CA -0.959 57.078 58.100 -0.105 0.000 1.100 667 Y CB 1.737 40.107 38.460 -0.150 0.000 1.192 667 Y HN 0.428 nan 8.280 nan 0.000 0.458 668 L N 5.304 126.577 121.223 0.083 0.000 2.441 668 L HA 0.548 4.888 4.340 0.000 0.000 0.270 668 L C -1.637 175.179 176.870 -0.089 0.000 0.973 668 L CA -0.536 54.346 54.840 0.071 0.000 0.842 668 L CB 0.947 43.066 42.059 0.101 0.000 1.239 668 L HN 0.622 nan 8.230 nan 0.000 0.406 669 N N 3.901 122.531 118.700 -0.116 0.000 2.249 669 N HA 0.630 5.370 4.740 0.000 0.000 0.296 669 N C -1.585 173.902 175.510 -0.039 0.000 1.051 669 N CA -0.398 52.548 53.050 -0.172 0.000 0.815 669 N CB 3.054 41.283 38.487 -0.429 0.000 1.487 669 N HN 0.303 nan 8.380 nan 0.000 0.475 670 V N 3.003 122.903 119.914 -0.024 0.000 2.407 670 V HA 0.487 4.607 4.120 0.000 0.000 0.291 670 V C 0.058 176.171 176.094 0.032 0.000 1.018 670 V CA -0.614 61.691 62.300 0.008 0.000 0.842 670 V CB 1.367 33.185 31.823 -0.007 0.000 0.996 670 V HN 0.529 nan 8.190 nan 0.000 0.426 671 I N 4.622 125.221 120.570 0.049 0.000 2.336 671 I HA 0.417 4.587 4.170 0.000 0.000 0.292 671 I C 0.128 176.271 176.117 0.044 0.000 0.991 671 I CA -0.215 61.131 61.300 0.077 0.000 1.227 671 I CB 1.498 39.567 38.000 0.115 0.000 1.366 671 I HN 0.590 nan 8.210 nan 0.000 0.466 672 Q N 5.954 125.780 119.800 0.043 0.000 2.274 672 Q HA 0.585 4.925 4.340 0.000 0.000 0.260 672 Q C -1.013 174.994 176.000 0.011 0.000 0.974 672 Q CA -0.835 54.980 55.803 0.019 0.000 0.876 672 Q CB 2.817 31.574 28.738 0.032 0.000 1.297 672 Q HN 0.427 nan 8.270 nan 0.000 0.446 673 I N 1.432 121.977 120.570 -0.043 0.000 2.474 673 I HA 0.786 4.956 4.170 0.000 0.000 0.294 673 I C -0.235 175.749 176.117 -0.221 0.000 1.005 673 I CA -0.413 60.826 61.300 -0.102 0.000 1.113 673 I CB 1.123 39.047 38.000 -0.127 0.000 1.289 673 I HN 0.771 nan 8.210 nan 0.000 0.436 674 A N 4.571 127.281 122.820 -0.183 0.000 2.564 674 A HA 0.564 4.884 4.320 0.000 0.000 0.291 674 A C -1.399 176.270 177.584 0.143 0.000 1.102 674 A CA -0.736 51.223 52.037 -0.131 0.000 0.660 674 A CB 0.847 19.813 19.000 -0.055 0.000 1.283 674 A HN 0.531 nan 8.150 nan 0.000 0.430 675 D N 1.199 121.732 120.400 0.222 0.000 2.423 675 D HA 0.158 4.798 4.640 0.000 0.000 0.238 675 D C 1.111 177.475 176.300 0.107 0.000 1.142 675 D CA 0.461 54.592 54.000 0.218 0.000 0.884 675 D CB 0.589 41.477 40.800 0.145 0.000 1.199 675 D HN 0.602 nan 8.370 nan 0.000 0.438 676 N N -0.497 118.249 118.700 0.078 0.000 2.573 676 N HA -0.159 4.581 4.740 0.000 0.000 0.187 676 N C 0.898 176.423 175.510 0.024 0.000 1.107 676 N CA 0.973 54.047 53.050 0.040 0.000 0.918 676 N CB -0.435 38.066 38.487 0.023 0.000 0.966 676 N HN 0.373 nan 8.380 nan 0.000 0.448 677 T N -5.250 109.321 114.554 0.028 0.000 3.060 677 T HA 0.083 4.433 4.350 0.000 0.000 0.249 677 T C 0.586 175.293 174.700 0.012 0.000 1.079 677 T CA -0.354 61.757 62.100 0.017 0.000 1.013 677 T CB -0.066 68.812 68.868 0.017 0.000 0.975 677 T HN 0.054 nan 8.240 nan 0.000 0.518 678 Q N 1.897 121.707 119.800 0.016 0.000 2.281 678 Q HA 0.186 4.526 4.340 0.000 0.000 0.267 678 Q C 1.128 177.120 176.000 -0.013 0.000 1.053 678 Q CA -0.003 55.800 55.803 -0.001 0.000 0.905 678 Q CB 0.824 29.560 28.738 -0.004 0.000 1.195 678 Q HN 0.210 nan 8.270 nan 0.000 0.398 679 Q N 2.756 122.544 119.800 -0.020 0.000 2.123 679 Q HA 0.006 4.347 4.340 0.000 0.000 0.196 679 Q C -0.099 175.879 176.000 -0.036 0.000 0.958 679 Q CA 0.865 56.654 55.803 -0.022 0.000 0.841 679 Q CB 0.066 28.794 28.738 -0.018 0.000 0.915 679 Q HN 0.321 nan 8.270 nan 0.000 0.455 680 K N 1.443 121.811 120.400 -0.053 0.000 2.264 680 K HA 0.302 4.622 4.320 0.000 0.000 0.277 680 K C -0.800 175.723 176.600 -0.128 0.000 1.067 680 K CA 0.015 56.255 56.287 -0.078 0.000 0.900 680 K CB 0.057 32.509 32.500 -0.080 0.000 1.124 680 K HN -0.073 nan 8.250 nan 0.000 0.469 681 L N 3.598 124.754 121.223 -0.111 0.000 2.358 681 L HA 0.400 4.740 4.340 0.000 0.000 0.268 681 L C 0.559 177.339 176.870 -0.151 0.000 1.032 681 L CA -1.213 53.542 54.840 -0.143 0.000 0.805 681 L CB 0.984 43.012 42.059 -0.051 0.000 1.253 681 L HN 0.625 nan 8.230 nan 0.000 0.452 682 H N 0.995 120.053 119.070 -0.020 0.000 2.815 682 H HA 0.015 4.571 4.556 0.000 0.000 0.350 682 H C -0.253 175.067 175.328 -0.013 0.000 1.080 682 H CA 0.107 56.145 56.048 -0.017 0.000 1.433 682 H CB 0.846 30.594 29.762 -0.023 0.000 1.432 682 H HN 0.495 nan 8.280 nan 0.000 0.592 683 E N 2.138 122.409 120.200 0.119 0.000 2.344 683 E HA 0.160 4.510 4.350 0.000 0.000 0.270 683 E C -0.931 175.699 176.600 0.050 0.000 1.021 683 E CA -0.462 55.976 56.400 0.063 0.000 0.887 683 E CB 0.588 30.317 29.700 0.048 0.000 0.997 683 E HN 0.208 nan 8.360 nan 0.000 0.429 684 V N 6.009 125.936 119.914 0.020 0.000 2.370 684 V HA 0.268 4.388 4.120 0.000 0.000 0.283 684 V C -0.141 175.938 176.094 -0.027 0.000 1.023 684 V CA -0.590 61.705 62.300 -0.008 0.000 0.857 684 V CB 1.315 33.131 31.823 -0.010 0.000 0.985 684 V HN 0.623 nan 8.190 nan 0.000 0.443 685 K N 4.351 124.721 120.400 -0.050 0.000 2.244 685 K HA 0.546 4.866 4.320 0.000 0.000 0.260 685 K C -0.349 176.197 176.600 -0.091 0.000 0.951 685 K CA -0.833 55.416 56.287 -0.062 0.000 0.826 685 K CB 2.506 34.966 32.500 -0.066 0.000 1.108 685 K HN 0.521 nan 8.250 nan 0.000 0.433 686 R N 3.205 123.656 120.500 -0.081 0.000 2.340 686 R HA 0.277 4.617 4.340 0.000 0.000 0.300 686 R C -0.582 175.650 176.300 -0.113 0.000 1.069 686 R CA -0.309 55.731 56.100 -0.101 0.000 0.984 686 R CB 0.463 30.715 30.300 -0.080 0.000 1.003 686 R HN 0.567 nan 8.270 nan 0.000 0.459 687 I N 4.244 124.716 120.570 -0.163 0.000 2.312 687 I HA 0.128 4.299 4.170 0.000 0.000 0.290 687 I C -0.552 175.484 176.117 -0.135 0.000 1.008 687 I CA -0.381 60.822 61.300 -0.161 0.000 1.226 687 I CB 1.584 39.407 38.000 -0.296 0.000 1.371 687 I HN 0.442 nan 8.210 nan 0.000 0.468 688 D N 6.914 127.278 120.400 -0.060 0.000 2.473 688 D HA 0.324 4.964 4.640 0.000 0.000 0.226 688 D C 0.326 176.643 176.300 0.028 0.000 1.089 688 D CA 0.036 54.013 54.000 -0.038 0.000 0.883 688 D CB 1.742 42.526 40.800 -0.027 0.000 1.029 688 D HN 0.657 nan 8.370 nan 0.000 0.517 689 G N 0.488 109.315 108.800 0.045 0.000 2.642 689 G HA2 0.212 4.172 3.960 0.000 0.000 0.291 689 G HA3 0.212 4.172 3.960 0.000 0.000 0.291 689 G C -0.504 174.483 174.900 0.144 0.000 1.345 689 G CA -0.490 44.714 45.100 0.174 0.000 1.043 689 G HN 0.203 nan 8.290 nan 0.000 0.528 690 D N -0.595 119.938 120.400 0.222 0.000 2.336 690 D HA 0.238 4.878 4.640 0.000 0.000 0.249 690 D C 0.739 177.165 176.300 0.211 0.000 1.213 690 D CA 0.015 54.132 54.000 0.195 0.000 0.870 690 D CB 0.350 41.281 40.800 0.218 0.000 1.076 690 D HN 0.486 nan 8.370 nan 0.000 0.483 691 K N 0.360 120.821 120.400 0.102 0.000 3.584 691 K HA -0.197 4.123 4.320 0.000 0.000 0.300 691 K C 0.009 176.552 176.600 -0.095 0.000 1.285 691 K CA 1.355 57.661 56.287 0.032 0.000 1.008 691 K CB -1.625 30.932 32.500 0.095 0.000 1.271 691 K HN 0.398 nan 8.250 nan 0.000 0.447 692 V N -2.742 117.117 119.914 -0.093 0.000 2.914 692 V HA 0.852 4.972 4.120 0.000 0.000 0.314 692 V C -0.307 175.666 176.094 -0.202 0.000 1.084 692 V CA -0.866 61.299 62.300 -0.225 0.000 0.963 692 V CB 2.232 33.843 31.823 -0.354 0.000 1.025 692 V HN -0.074 nan 8.190 nan 0.000 0.432 693 V N 2.535 122.274 119.914 -0.292 0.000 2.628 693 V HA 1.036 5.156 4.120 0.000 0.000 0.306 693 V C 0.413 176.293 176.094 -0.356 0.000 1.045 693 V CA 0.725 62.845 62.300 -0.301 0.000 0.905 693 V CB 1.606 33.238 31.823 -0.318 0.000 0.997 693 V HN 1.600 nan 8.190 nan 0.000 0.436 694 G N 3.695 112.295 108.800 -0.333 0.000 2.788 694 G HA2 0.689 4.649 3.960 0.000 0.000 0.293 694 G HA3 0.689 4.649 3.960 0.000 0.000 0.293 694 G C -1.921 172.815 174.900 -0.274 0.000 1.392 694 G CA -0.492 44.381 45.100 -0.377 0.000 0.810 694 G HN 0.870 nan 8.290 nan 0.000 0.508 695 V N -0.065 119.673 119.914 -0.292 0.000 2.841 695 V HA 0.660 4.780 4.120 0.000 0.000 0.310 695 V C -0.696 175.238 176.094 -0.266 0.000 1.090 695 V CA -0.644 61.530 62.300 -0.209 0.000 0.930 695 V CB 1.841 33.595 31.823 -0.115 0.000 1.014 695 V HN 0.880 nan 8.190 nan 0.000 0.425 696 Q N 4.668 124.340 119.800 -0.213 0.000 2.304 696 Q HA 0.859 5.199 4.340 0.000 0.000 0.270 696 Q C -1.751 174.174 176.000 -0.124 0.000 1.035 696 Q CA -0.640 55.034 55.803 -0.215 0.000 0.781 696 Q CB 2.321 30.901 28.738 -0.262 0.000 1.261 696 Q HN 0.828 nan 8.270 nan 0.000 0.444 697 L N 1.451 122.606 121.223 -0.114 0.000 2.582 697 L HA 0.961 5.301 4.340 0.000 0.000 0.257 697 L C -0.121 176.636 176.870 -0.188 0.000 0.974 697 L CA -0.243 54.537 54.840 -0.101 0.000 0.851 697 L CB 1.328 43.329 42.059 -0.096 0.000 1.424 697 L HN 0.864 nan 8.230 nan 0.000 0.412 698 A N 2.263 124.897 122.820 -0.311 0.000 5.481 698 A HA -0.308 4.012 4.320 0.000 0.000 0.318 698 A C 0.658 178.160 177.584 -0.137 0.000 1.837 698 A CA 1.608 53.391 52.037 -0.425 0.000 0.717 698 A CB -1.955 16.563 19.000 -0.803 0.000 1.349 698 A HN 1.525 nan 8.150 nan 0.000 0.388 699 D N 0.223 120.516 120.400 -0.178 0.000 2.460 699 D HA 0.294 4.934 4.640 0.000 0.000 0.229 699 D C 0.194 176.482 176.300 -0.018 0.000 1.170 699 D CA -0.078 53.813 54.000 -0.181 0.000 0.827 699 D CB -0.089 40.563 40.800 -0.247 0.000 0.973 699 D HN 0.456 nan 8.370 nan 0.000 0.496 700 R N 0.471 120.957 120.500 -0.024 0.000 2.534 700 R HA 0.590 4.930 4.340 0.000 0.000 0.301 700 R C -0.482 175.675 176.300 -0.238 0.000 0.961 700 R CA -0.732 55.292 56.100 -0.126 0.000 0.871 700 R CB 1.864 32.077 30.300 -0.146 0.000 1.170 700 R HN 0.101 nan 8.270 nan 0.000 0.446 701 I N 2.049 122.361 120.570 -0.431 0.000 2.466 701 I HA 0.411 4.581 4.170 0.000 0.000 0.289 701 I C -0.638 175.150 176.117 -0.549 0.000 1.026 701 I CA -0.961 59.984 61.300 -0.593 0.000 1.078 701 I CB 2.380 39.783 38.000 -0.996 0.000 1.249 701 I HN 0.093 nan 8.210 nan 0.000 0.429 702 V N 4.224 123.821 119.914 -0.529 0.000 2.638 702 V HA 0.621 4.741 4.120 0.000 0.000 0.306 702 V C -0.165 175.475 176.094 -0.756 0.000 1.052 702 V CA -0.515 61.417 62.300 -0.613 0.000 0.885 702 V CB 2.153 33.675 31.823 -0.502 0.000 0.999 702 V HN 0.839 nan 8.190 nan 0.000 0.424 703 T N 1.073 115.085 114.554 -0.902 0.000 2.907 703 T HA 0.871 5.221 4.350 0.000 0.000 0.292 703 T C -1.043 173.002 174.700 -1.093 0.000 1.043 703 T CA -0.557 61.009 62.100 -0.890 0.000 1.003 703 T CB 1.921 70.342 68.868 -0.745 0.000 1.084 703 T HN 0.203 nan 8.240 nan 0.000 0.483 704 F N 0.175 119.800 119.950 -0.542 0.000 2.603 704 F HA 0.656 5.183 4.527 0.000 0.000 0.317 704 F C 0.845 176.384 175.800 -0.435 0.000 1.066 704 F CA -1.197 56.525 58.000 -0.464 0.000 0.941 704 F CB 2.107 40.691 39.000 -0.694 0.000 1.291 704 F HN 0.715 nan 8.300 nan 0.000 0.472 705 S N 1.097 116.762 115.700 -0.059 0.000 2.549 705 S HA 0.024 4.494 4.470 0.000 0.000 0.286 705 S C 1.230 175.825 174.600 -0.008 0.000 1.314 705 S CA -0.314 57.839 58.200 -0.079 0.000 1.062 705 S CB 0.605 63.815 63.200 0.017 0.000 0.865 705 S HN 0.776 nan 8.310 nan 0.000 0.498 706 K N 2.018 122.360 120.400 -0.097 0.000 2.281 706 K HA -0.097 4.223 4.320 0.000 0.000 0.203 706 K C 1.539 178.050 176.600 -0.148 0.000 1.046 706 K CA 1.726 57.929 56.287 -0.140 0.000 0.938 706 K CB -0.272 32.143 32.500 -0.141 0.000 0.737 706 K HN 0.869 nan 8.250 nan 0.000 0.458 707 T N -3.711 110.861 114.554 0.030 0.000 3.054 707 T HA 0.088 4.438 4.350 0.000 0.000 0.255 707 T C 0.677 175.561 174.700 0.305 0.000 1.035 707 T CA 0.314 62.514 62.100 0.167 0.000 0.941 707 T CB 0.427 69.374 68.868 0.130 0.000 1.026 707 T HN 0.076 nan 8.240 nan 0.000 0.533 708 S N 0.954 116.859 115.700 0.341 0.000 3.445 708 S HA -0.144 4.326 4.470 0.000 0.000 0.319 708 S C -0.089 174.631 174.600 0.200 0.000 1.209 708 S CA 0.930 59.329 58.200 0.331 0.000 0.934 708 S CB -0.967 62.374 63.200 0.236 0.000 0.999 708 S HN 0.800 nan 8.310 nan 0.000 0.582 709 E N 0.888 121.181 120.200 0.155 0.000 2.235 709 E HA 0.366 4.716 4.350 0.000 0.000 0.265 709 E C 0.155 176.814 176.600 0.098 0.000 0.940 709 E CA -0.565 55.905 56.400 0.116 0.000 0.819 709 E CB 0.827 30.585 29.700 0.098 0.000 1.206 709 E HN 0.228 nan 8.360 nan 0.000 0.409 710 T N 0.928 115.542 114.554 0.099 0.000 2.866 710 T HA 0.082 4.432 4.350 0.000 0.000 0.293 710 T C 0.308 175.072 174.700 0.106 0.000 1.005 710 T CA -0.017 62.146 62.100 0.105 0.000 1.162 710 T CB 0.060 68.998 68.868 0.116 0.000 0.968 710 T HN 0.109 nan 8.240 nan 0.000 0.530 711 V N 4.823 124.801 119.914 0.107 0.000 2.406 711 V HA 0.249 4.369 4.120 0.000 0.000 0.272 711 V C 0.695 176.987 176.094 0.330 0.000 1.043 711 V CA -0.432 61.958 62.300 0.149 0.000 0.915 711 V CB 1.277 33.093 31.823 -0.013 0.000 0.988 711 V HN 1.033 nan 8.190 nan 0.000 0.466 712 D N 3.123 123.682 120.400 0.265 0.000 2.540 712 D HA 0.172 4.812 4.640 0.000 0.000 0.229 712 D C 0.472 176.846 176.300 0.124 0.000 1.250 712 D CA -0.338 53.779 54.000 0.195 0.000 0.817 712 D CB 0.592 41.458 40.800 0.110 0.000 1.060 712 D HN 0.264 nan 8.370 nan 0.000 0.508 713 R N 0.294 120.934 120.500 0.233 0.000 2.888 713 R HA 0.548 4.888 4.340 0.000 0.000 0.264 713 R C -2.835 173.672 176.300 0.345 0.000 1.045 713 R CA -2.058 54.153 56.100 0.185 0.000 0.962 713 R CB 0.302 30.692 30.300 0.150 0.000 1.210 713 R HN -0.088 nan 8.270 nan 0.000 0.479 714 P HA 0.056 nan 4.420 nan 0.000 0.266 714 P C -0.791 176.755 177.300 0.410 0.000 1.193 714 P CA 0.385 63.661 63.100 0.293 0.000 0.770 714 P CB 0.241 32.025 31.700 0.140 0.000 0.836 715 F N -0.257 119.885 119.950 0.321 0.000 2.754 715 F HA 0.919 5.446 4.527 0.000 0.000 0.320 715 F C -0.288 175.728 175.800 0.360 0.000 1.156 715 F CA -0.743 57.414 58.000 0.263 0.000 0.950 715 F CB 1.016 40.130 39.000 0.191 0.000 1.388 715 F HN 0.560 nan 8.300 nan 0.000 0.485 716 G N -0.220 108.876 108.800 0.493 0.000 2.451 716 G HA2 0.606 4.566 3.960 0.000 0.000 0.292 716 G HA3 0.606 4.566 3.960 0.000 0.000 0.292 716 G C -2.170 173.026 174.900 0.493 0.000 1.427 716 G CA -0.302 45.020 45.100 0.370 0.000 0.792 716 G HN 1.528 nan 8.290 nan 0.000 0.498 717 F N -1.966 118.178 119.950 0.323 0.000 2.773 717 F HA 0.847 5.374 4.527 0.000 0.000 0.314 717 F C -0.509 175.427 175.800 0.227 0.000 1.160 717 F CA -1.324 56.806 58.000 0.218 0.000 0.920 717 F CB 1.048 40.147 39.000 0.166 0.000 1.323 717 F HN 0.523 nan 8.300 nan 0.000 0.457 718 S N 0.702 116.616 115.700 0.357 0.000 2.549 718 S HA 0.809 5.279 4.470 0.000 0.000 0.297 718 S C -1.038 173.745 174.600 0.305 0.000 1.115 718 S CA -0.716 57.630 58.200 0.244 0.000 1.059 718 S CB 1.891 65.173 63.200 0.136 0.000 1.046 718 S HN 0.561 nan 8.310 nan 0.000 0.506 719 V N 3.022 123.084 119.914 0.246 0.000 2.487 719 V HA 0.536 4.656 4.120 0.000 0.000 0.298 719 V C -0.731 175.387 176.094 0.040 0.000 1.028 719 V CA -0.588 61.774 62.300 0.103 0.000 0.860 719 V CB 1.780 33.667 31.823 0.108 0.000 0.991 719 V HN 0.662 nan 8.190 nan 0.000 0.427 720 V N 3.644 123.539 119.914 -0.033 0.000 2.487 720 V HA 1.028 5.148 4.120 0.000 0.000 0.298 720 V C 0.387 176.502 176.094 0.034 0.000 1.028 720 V CA 0.280 62.592 62.300 0.020 0.000 0.860 720 V CB 1.342 33.183 31.823 0.029 0.000 0.991 720 V HN 1.231 nan 8.190 nan 0.000 0.427 721 G N 3.821 112.715 108.800 0.156 0.000 2.350 721 G HA2 0.370 4.330 3.960 0.000 0.000 0.304 721 G HA3 0.370 4.330 3.960 0.000 0.000 0.304 721 G C -1.884 173.240 174.900 0.373 0.000 1.421 721 G CA -1.001 44.279 45.100 0.299 0.000 0.934 721 G HN 0.509 nan 8.290 nan 0.000 0.632 722 K N -0.069 120.478 120.400 0.245 0.000 2.118 722 K HA 0.817 5.137 4.320 0.000 0.000 0.267 722 K C 0.825 177.403 176.600 -0.036 0.000 0.991 722 K CA 1.028 57.385 56.287 0.117 0.000 0.916 722 K CB 1.070 33.604 32.500 0.056 0.000 1.041 722 K HN 2.260 nan 8.250 nan 0.000 0.455 723 G N 0.722 109.503 108.800 -0.031 0.000 2.728 723 G HA2 -0.210 3.750 3.960 0.000 0.000 0.294 723 G HA3 -0.210 3.750 3.960 0.000 0.000 0.294 723 G C -0.801 173.986 174.900 -0.189 0.000 1.342 723 G CA -0.663 44.354 45.100 -0.137 0.000 0.866 723 G HN 0.547 nan 8.290 nan 0.000 0.534 724 T N 0.982 115.428 114.554 -0.179 0.000 2.832 724 T HA 0.569 4.919 4.350 0.000 0.000 0.296 724 T C -0.184 174.361 174.700 -0.259 0.000 0.968 724 T CA 0.457 62.525 62.100 -0.055 0.000 1.107 724 T CB 0.449 69.334 68.868 0.027 0.000 0.916 724 T HN 0.463 nan 8.240 nan 0.000 0.517 725 F N 1.737 121.761 119.950 0.122 0.000 2.492 725 F HA 0.479 5.006 4.527 0.000 0.000 0.327 725 F C 0.751 176.554 175.800 0.005 0.000 1.079 725 F CA -1.148 56.832 58.000 -0.033 0.000 0.967 725 F CB 1.535 40.385 39.000 -0.250 0.000 1.169 725 F HN 0.232 nan 8.300 nan 0.000 0.472 726 K N 2.708 123.128 120.400 0.034 0.000 2.263 726 K HA 0.445 4.765 4.320 0.000 0.000 0.272 726 K C -1.550 174.873 176.600 -0.295 0.000 1.033 726 K CA -0.415 55.843 56.287 -0.049 0.000 0.884 726 K CB 0.889 33.440 32.500 0.084 0.000 1.107 726 K HN 0.301 nan 8.250 nan 0.000 0.460 727 F N 1.897 121.404 119.950 -0.739 0.000 2.415 727 F HA 0.287 4.814 4.527 0.000 0.000 0.348 727 F C 0.117 175.432 175.800 -0.809 0.000 1.119 727 F CA -1.025 56.463 58.000 -0.853 0.000 1.069 727 F CB 1.382 39.503 39.000 -1.464 0.000 1.124 727 F HN 0.065 nan 8.300 nan 0.000 0.472 728 V N 5.594 125.236 119.914 -0.453 0.000 2.326 728 V HA 0.366 4.486 4.120 0.000 0.000 0.281 728 V C -0.186 175.594 176.094 -0.523 0.000 1.015 728 V CA -0.709 61.298 62.300 -0.487 0.000 0.823 728 V CB 1.071 32.473 31.823 -0.702 0.000 1.009 728 V HN 0.586 nan 8.190 nan 0.000 0.436 729 M N 4.570 123.922 119.600 -0.414 0.000 2.129 729 M HA 0.516 4.996 4.480 0.000 0.000 0.348 729 M C 0.178 176.192 176.300 -0.477 0.000 1.116 729 M CA -0.161 54.872 55.300 -0.444 0.000 1.022 729 M CB 1.192 33.605 32.600 -0.313 0.000 1.599 729 M HN 0.676 nan 8.290 nan 0.000 0.449 730 T N -1.993 112.225 114.554 -0.559 0.000 2.938 730 T HA 0.477 4.827 4.350 0.000 0.000 0.285 730 T C 0.067 174.611 174.700 -0.261 0.000 1.028 730 T CA -0.457 61.381 62.100 -0.437 0.000 1.005 730 T CB 1.440 69.969 68.868 -0.565 0.000 1.157 730 T HN 0.738 nan 8.240 nan 0.000 0.550 731 D N -0.104 120.259 120.400 -0.062 0.000 2.800 731 D HA -0.116 4.524 4.640 0.000 0.000 0.232 731 D C -0.512 175.777 176.300 -0.019 0.000 1.137 731 D CA 0.537 54.550 54.000 0.021 0.000 0.718 731 D CB -1.612 39.217 40.800 0.047 0.000 1.084 731 D HN 0.582 nan 8.370 nan 0.000 0.432 732 L N 0.133 121.345 121.223 -0.018 0.000 2.325 732 L HA 0.422 4.762 4.340 0.000 0.000 0.278 732 L C 0.743 177.791 176.870 0.296 0.000 1.023 732 L CA -1.231 53.658 54.840 0.082 0.000 0.811 732 L CB 1.367 43.294 42.059 -0.220 0.000 1.249 732 L HN -0.056 nan 8.230 nan 0.000 0.431 733 L N 5.647 127.160 121.223 0.483 0.000 2.615 733 L HA 0.168 4.508 4.340 0.000 0.000 0.271 733 L C -2.162 174.961 176.870 0.421 0.000 1.183 733 L CA -0.715 54.342 54.840 0.362 0.000 0.933 733 L CB -0.093 42.120 42.059 0.257 0.000 1.199 733 L HN 0.285 nan 8.230 nan 0.000 0.487 734 P HA 0.396 nan 4.420 nan 0.000 0.266 734 P C 0.016 177.434 177.300 0.196 0.000 1.195 734 P CA 0.417 63.661 63.100 0.241 0.000 0.768 734 P CB 0.711 32.503 31.700 0.153 0.000 0.838 735 G N 1.148 110.072 108.800 0.207 0.000 2.320 735 G HA2 0.090 4.050 3.960 0.000 0.000 0.274 735 G HA3 0.090 4.050 3.960 0.000 0.000 0.274 735 G C -1.348 173.638 174.900 0.144 0.000 1.324 735 G CA -0.704 44.459 45.100 0.105 0.000 0.957 735 G HN 0.408 nan 8.290 nan 0.000 0.481 736 T N 0.976 115.539 114.554 0.015 0.000 2.744 736 T HA 0.548 4.898 4.350 0.000 0.000 0.291 736 T C -0.872 173.805 174.700 -0.037 0.000 0.957 736 T CA 0.268 62.402 62.100 0.056 0.000 1.002 736 T CB 0.634 69.514 68.868 0.020 0.000 0.919 736 T HN 0.433 nan 8.240 nan 0.000 0.468 737 W N 1.861 123.199 121.300 0.063 0.000 2.570 737 W HA 0.546 5.206 4.660 0.000 0.000 0.337 737 W C 0.285 176.820 176.519 0.026 0.000 1.067 737 W CA -0.856 56.532 57.345 0.072 0.000 1.229 737 W CB 1.205 30.748 29.460 0.138 0.000 1.355 737 W HN 0.480 nan 8.180 nan 0.000 0.555 738 Q N 1.580 121.516 119.800 0.228 0.000 2.333 738 Q HA 0.601 4.941 4.340 0.000 0.000 0.267 738 Q C -1.578 174.403 176.000 -0.030 0.000 1.012 738 Q CA -0.534 55.309 55.803 0.066 0.000 0.824 738 Q CB 1.679 30.411 28.738 -0.011 0.000 1.290 738 Q HN 0.382 nan 8.270 nan 0.000 0.449 739 V N 5.553 125.366 119.914 -0.168 0.000 2.370 739 V HA 0.407 4.527 4.120 0.000 0.000 0.283 739 V C -0.657 175.144 176.094 -0.490 0.000 1.023 739 V CA -0.620 61.393 62.300 -0.479 0.000 0.857 739 V CB 1.093 32.580 31.823 -0.559 0.000 0.985 739 V HN 0.681 nan 8.190 nan 0.000 0.443 740 L N 4.935 125.816 121.223 -0.570 0.000 2.334 740 L HA 0.659 4.999 4.340 0.000 0.000 0.276 740 L C -0.170 176.326 176.870 -0.623 0.000 1.014 740 L CA -0.237 54.309 54.840 -0.491 0.000 0.815 740 L CB 1.654 43.499 42.059 -0.356 0.000 1.268 740 L HN 0.511 nan 8.230 nan 0.000 0.428 741 K N 1.459 121.494 120.400 -0.610 0.000 2.397 741 K HA 0.323 4.643 4.320 0.000 0.000 0.253 741 K C -1.041 175.279 176.600 -0.467 0.000 0.932 741 K CA -0.497 55.342 56.287 -0.746 0.000 0.795 741 K CB 1.231 33.143 32.500 -0.980 0.000 1.159 741 K HN 0.653 nan 8.250 nan 0.000 0.424 742 D N 2.916 123.080 120.400 -0.393 0.000 2.751 742 D HA -0.203 4.437 4.640 0.000 0.000 0.233 742 D C 0.644 176.819 176.300 -0.208 0.000 1.149 742 D CA 1.795 55.646 54.000 -0.249 0.000 0.682 742 D CB -1.267 39.410 40.800 -0.206 0.000 1.068 742 D HN 1.079 nan 8.370 nan 0.000 0.429 743 G N -0.865 107.801 108.800 -0.224 0.000 2.184 743 G HA2 -0.371 3.590 3.960 0.000 0.000 0.264 743 G HA3 -0.371 3.590 3.960 0.000 0.000 0.264 743 G C 0.225 175.016 174.900 -0.181 0.000 0.975 743 G CA 0.769 45.761 45.100 -0.180 0.000 0.642 743 G HN 0.505 nan 8.290 nan 0.000 0.536 744 K N -0.123 120.146 120.400 -0.219 0.000 2.221 744 K HA 0.620 4.940 4.320 0.000 0.000 0.258 744 K C 0.517 176.965 176.600 -0.253 0.000 0.944 744 K CA -1.081 55.083 56.287 -0.205 0.000 0.823 744 K CB 1.877 34.261 32.500 -0.192 0.000 1.113 744 K HN 0.179 nan 8.250 nan 0.000 0.431 745 I N 3.963 124.403 120.570 -0.217 0.000 2.742 745 I HA -0.184 3.986 4.170 0.000 0.000 0.287 745 I C 1.021 176.959 176.117 -0.298 0.000 1.186 745 I CA 0.221 61.379 61.300 -0.237 0.000 1.417 745 I CB 0.275 38.175 38.000 -0.167 0.000 1.377 745 I HN 0.575 nan 8.210 nan 0.000 0.556 746 L N 8.537 129.513 121.223 -0.412 0.000 2.265 746 L HA 0.192 4.533 4.340 0.000 0.000 0.195 746 L C -0.229 176.217 176.870 -0.706 0.000 1.083 746 L CA 0.985 55.458 54.840 -0.611 0.000 0.798 746 L CB 0.073 41.664 42.059 -0.780 0.000 0.989 746 L HN 0.390 nan 8.230 nan 0.000 0.472 747 Y N -0.163 119.986 120.300 -0.251 0.000 2.388 747 Y HA 0.357 4.907 4.550 0.000 0.000 0.328 747 Y C -1.739 174.073 175.900 -0.147 0.000 0.963 747 Y CA -2.184 55.804 58.100 -0.187 0.000 1.240 747 Y CB 0.825 39.148 38.460 -0.227 0.000 1.118 747 Y HN 0.068 nan 8.280 nan 0.000 0.484 748 P HA -0.111 nan 4.420 nan 0.000 0.218 748 P C -0.201 177.114 177.300 0.025 0.000 1.148 748 P CA 1.204 64.301 63.100 -0.005 0.000 0.822 748 P CB 0.527 32.224 31.700 -0.005 0.000 0.784 749 A N -0.859 121.998 122.820 0.061 0.000 2.485 749 A HA 0.612 4.932 4.320 0.000 0.000 0.285 749 A C -1.324 176.309 177.584 0.082 0.000 1.045 749 A CA -0.391 51.688 52.037 0.069 0.000 0.792 749 A CB 0.396 19.424 19.000 0.047 0.000 1.307 749 A HN -0.044 nan 8.150 nan 0.000 0.406 750 L N 1.179 122.472 121.223 0.116 0.000 2.371 750 L HA 0.654 4.994 4.340 0.000 0.000 0.262 750 L C 0.012 176.994 176.870 0.187 0.000 1.006 750 L CA -0.782 54.124 54.840 0.109 0.000 0.818 750 L CB 2.630 44.726 42.059 0.062 0.000 1.354 750 L HN 0.620 nan 8.230 nan 0.000 0.415 751 S N 1.239 117.035 115.700 0.160 0.000 2.442 751 S HA 0.658 5.128 4.470 0.000 0.000 0.297 751 S C -0.146 174.577 174.600 0.205 0.000 1.131 751 S CA -0.595 57.719 58.200 0.189 0.000 1.092 751 S CB 1.648 64.924 63.200 0.126 0.000 0.998 751 S HN 0.619 nan 8.310 nan 0.000 0.478 752 A N 4.119 127.112 122.820 0.288 0.000 2.260 752 A HA 0.510 4.830 4.320 0.000 0.000 0.308 752 A C 0.101 177.796 177.584 0.184 0.000 1.254 752 A CA -0.634 51.532 52.037 0.216 0.000 0.874 752 A CB 0.304 19.453 19.000 0.248 0.000 1.153 752 A HN 0.757 nan 8.150 nan 0.000 0.527 753 K N 1.441 121.918 120.400 0.129 0.000 2.090 753 K HA 0.442 4.762 4.320 0.000 0.000 0.249 753 K C 1.422 178.083 176.600 0.101 0.000 0.995 753 K CA 0.045 56.393 56.287 0.102 0.000 0.914 753 K CB 1.129 33.673 32.500 0.073 0.000 1.057 753 K HN 0.675 nan 8.250 nan 0.000 0.462 754 G N 0.571 109.421 108.800 0.084 0.000 2.403 754 G HA2 -0.206 3.754 3.960 0.000 0.000 0.216 754 G HA3 -0.206 3.754 3.960 0.000 0.000 0.216 754 G C 0.781 175.726 174.900 0.075 0.000 1.154 754 G CA 0.628 45.778 45.100 0.082 0.000 0.784 754 G HN 0.559 nan 8.290 nan 0.000 0.538 755 D N 0.856 121.288 120.400 0.054 0.000 2.117 755 D HA -0.068 4.572 4.640 0.000 0.000 0.198 755 D C 2.026 178.364 176.300 0.063 0.000 0.982 755 D CA 1.505 55.524 54.000 0.031 0.000 0.828 755 D CB -0.061 40.730 40.800 -0.016 0.000 0.967 755 D HN 0.509 nan 8.370 nan 0.000 0.464 756 D N -1.712 118.753 120.400 0.109 0.000 2.417 756 D HA 0.121 4.761 4.640 0.000 0.000 0.207 756 D C 1.342 177.775 176.300 0.222 0.000 1.075 756 D CA 0.625 54.761 54.000 0.226 0.000 0.851 756 D CB -0.502 40.445 40.800 0.245 0.000 0.976 756 D HN 0.093 nan 8.370 nan 0.000 0.505 757 G N 0.433 109.319 108.800 0.144 0.000 2.390 757 G HA2 0.016 3.976 3.960 0.000 0.000 0.299 757 G HA3 0.016 3.976 3.960 0.000 0.000 0.299 757 G C 0.276 175.197 174.900 0.034 0.000 1.002 757 G CA 0.502 45.673 45.100 0.119 0.000 0.979 757 G HN 0.881 nan 8.290 nan 0.000 0.513 758 A N -0.473 122.349 122.820 0.004 0.000 2.435 758 A HA 0.857 5.177 4.320 0.000 0.000 0.304 758 A C -0.219 177.327 177.584 -0.063 0.000 1.064 758 A CA -0.741 51.232 52.037 -0.108 0.000 0.727 758 A CB 1.478 20.375 19.000 -0.173 0.000 1.284 758 A HN 0.647 nan 8.150 nan 0.000 0.415 759 L N 1.590 122.741 121.223 -0.120 0.000 2.309 759 L HA 0.495 4.835 4.340 0.000 0.000 0.282 759 L C -1.062 175.849 176.870 0.069 0.000 1.036 759 L CA -0.571 54.277 54.840 0.013 0.000 0.806 759 L CB 1.520 43.590 42.059 0.020 0.000 1.220 759 L HN 0.833 nan 8.230 nan 0.000 0.429 760 Y N 4.747 125.079 120.300 0.053 0.000 2.425 760 Y HA 0.659 5.209 4.550 0.000 0.000 0.344 760 Y C -0.901 175.082 175.900 0.139 0.000 0.969 760 Y CA -0.981 57.116 58.100 -0.005 0.000 1.052 760 Y CB 1.524 39.992 38.460 0.014 0.000 1.215 760 Y HN 0.425 nan 8.280 nan 0.000 0.451 761 F N 1.396 120.852 119.950 -0.823 0.000 2.807 761 F HA 0.595 5.122 4.527 0.000 0.000 0.316 761 F C -1.873 173.660 175.800 -0.445 0.000 1.162 761 F CA -1.282 56.374 58.000 -0.573 0.000 0.910 761 F CB 1.149 39.872 39.000 -0.462 0.000 1.314 761 F HN 0.380 nan 8.300 nan 0.000 0.454 762 E N 0.334 120.583 120.200 0.082 0.000 2.202 762 E HA 0.727 5.078 4.350 0.000 0.000 0.272 762 E C -0.450 176.429 176.600 0.465 0.000 0.951 762 E CA -1.160 55.388 56.400 0.246 0.000 0.813 762 E CB 2.243 32.077 29.700 0.223 0.000 1.151 762 E HN 1.051 nan 8.360 nan 0.000 0.398 763 G N 0.504 109.625 108.800 0.536 0.000 2.559 763 G HA2 0.413 4.373 3.960 0.000 0.000 0.291 763 G HA3 0.413 4.373 3.960 0.000 0.000 0.291 763 G C -0.693 174.595 174.900 0.647 0.000 1.424 763 G CA -0.547 44.866 45.100 0.522 0.000 0.786 763 G HN 0.471 nan 8.290 nan 0.000 0.485 764 T N -2.155 112.706 114.554 0.510 0.000 2.889 764 T HA 0.690 5.040 4.350 0.000 0.000 0.278 764 T C 0.445 175.469 174.700 0.539 0.000 0.995 764 T CA -0.278 62.120 62.100 0.497 0.000 0.966 764 T CB 1.405 70.434 68.868 0.268 0.000 1.237 764 T HN 0.924 nan 8.240 nan 0.000 0.591 765 E N -0.338 120.115 120.200 0.421 0.000 2.418 765 E HA 0.478 4.828 4.350 0.000 0.000 0.261 765 E C 0.419 177.129 176.600 0.184 0.000 1.070 765 E CA -0.663 55.914 56.400 0.295 0.000 0.931 765 E CB -0.118 29.711 29.700 0.215 0.000 0.954 765 E HN 1.160 nan 8.360 nan 0.000 0.439 766 G N 0.479 109.368 108.800 0.148 0.000 2.343 766 G HA2 0.169 4.129 3.960 0.000 0.000 0.289 766 G HA3 0.169 4.129 3.960 0.000 0.000 0.289 766 G C -1.244 173.634 174.900 -0.036 0.000 1.295 766 G CA -0.353 44.724 45.100 -0.038 0.000 0.869 766 G HN 0.624 nan 8.290 nan 0.000 0.522 767 T N 0.047 114.492 114.554 -0.181 0.000 2.753 767 T HA 0.644 4.994 4.350 0.000 0.000 0.297 767 T C -1.104 173.400 174.700 -0.326 0.000 0.981 767 T CA -0.277 61.740 62.100 -0.138 0.000 0.956 767 T CB -0.056 68.755 68.868 -0.096 0.000 0.936 767 T HN 0.393 nan 8.240 nan 0.000 0.463 768 Y N 4.356 124.463 120.300 -0.322 0.000 2.323 768 Y HA 0.656 5.207 4.550 0.000 0.000 0.331 768 Y C 0.918 176.520 175.900 -0.496 0.000 1.092 768 Y CA -0.854 56.930 58.100 -0.527 0.000 1.150 768 Y CB 0.995 39.035 38.460 -0.700 0.000 1.200 768 Y HN 0.344 nan 8.280 nan 0.000 0.472 769 R N 2.862 123.054 120.500 -0.513 0.000 2.750 769 R HA 0.523 4.863 4.340 0.000 0.000 0.281 769 R C -1.920 173.945 176.300 -0.726 0.000 0.972 769 R CA -1.242 54.620 56.100 -0.397 0.000 0.912 769 R CB 1.744 31.901 30.300 -0.239 0.000 1.187 769 R HN 0.554 nan 8.270 nan 0.000 0.464 770 F N 2.076 121.804 119.950 -0.371 0.000 2.547 770 F HA 0.534 5.061 4.527 0.000 0.000 0.316 770 F C -0.074 175.735 175.800 0.015 0.000 1.121 770 F CA -0.663 57.166 58.000 -0.285 0.000 0.911 770 F CB 1.561 40.058 39.000 -0.839 0.000 1.179 770 F HN 0.054 nan 8.300 nan 0.000 0.443 771 L N 3.399 124.785 121.223 0.272 0.000 2.362 771 L HA 0.796 5.136 4.340 0.000 0.000 0.271 771 L C -0.353 176.468 176.870 -0.083 0.000 1.002 771 L CA -0.925 53.975 54.840 0.101 0.000 0.818 771 L CB 2.371 44.425 42.059 -0.009 0.000 1.298 771 L HN 0.582 nan 8.230 nan 0.000 0.420 772 R N 0.000 120.273 120.500 -0.379 0.000 2.786 772 R HA 0.000 4.340 4.340 0.000 0.000 0.208 772 R CA 0.000 55.627 56.100 -0.788 0.000 0.921 772 R CB 0.000 29.354 30.300 -1.577 0.000 0.687 772 R HN 0.000 nan 8.270 nan 0.000 0.535