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 1qrk_1_A DATA FIRST_RESID 9 DATA SEQUENCE GGRRAVPPNN SNAAEDDLPT VEXXXXXXXX XXXXXXLNVT SVHLFKERWD DATA SEQUENCE TNKVDHHTDK YENNKLIVRR GQSFYVQIDF SRPYDPRRDL FRVEYVIGRY DATA SEQUENCE PQENKGTYIP VPIVSELQSG KWGAKIVMRE DRSVRLSIQS SPKCIVGKFR DATA SEQUENCE MYVAVWTPYG VLRTSRNPET DTYILFNPWC EDDAVYLDNE KEREEYVLND DATA SEQUENCE IGVIFYGEVN DIKTRSWSYG QFEDGILDTC LYVMDRAQMD LSGRGNPIKV DATA SEQUENCE SRVGSAMVNA KDDEGVLVGS WDNIYAYGVP PSAWTGSVDI LLEYRSSENP DATA SEQUENCE VRYGQCWVFA GVFNTFLRCL GIPARIVTNY FSAHDNDANL QMDIFLEEDG DATA SEQUENCE NVNSKLTKDS VWNYHCWNEA WMTRPDLPVG FGGWQAVDST PQENSDGMYR DATA SEQUENCE CGPASVQAIK HGHVCFQFDA PFVFAEVNSD LIYITAKKDG THVVENVDAT DATA SEQUENCE HIGKLIVTKQ IGGDGMMDIT DTYKFQEGQE EERLALETAL MYGAKKPLNT DATA SEQUENCE EGVXXXXXNV DMDFEVENAV LGKDFKLSIT FRNNSHNRYT ITAYLSANIT DATA SEQUENCE FYTGVPKAEF KKETFDVTLE PLSFKKEAVL IQAGEYMGQL LEQASLHFFV DATA SEQUENCE TARINETRDV LAKQKSTVLT IPEIIIKVRG TQVVGSDMTV TVEFTNPLKE DATA SEQUENCE TLRNVWVHLD GPGVTRPMKK MFREIRPNST VQWEEVCRPW VSGHRKLIAS DATA SEQUENCE MSSDSLRHVY GELDVQIQR 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 9 G HA2 0.000 nan 3.960 nan 0.000 0.244 9 G HA3 0.000 3.995 3.960 0.058 0.000 0.244 9 G C 0.000 174.883 174.900 -0.028 0.000 0.946 9 G CA 0.000 45.081 45.100 -0.032 0.000 0.502 10 G N 1.322 110.109 108.800 -0.022 0.000 5.218 10 G HA2 -0.474 3.520 3.960 0.058 0.000 0.342 10 G HA3 -0.474 3.520 3.960 0.058 0.000 0.342 10 G C 1.620 176.508 174.900 -0.020 0.000 1.391 10 G CA 1.701 46.790 45.100 -0.018 0.000 1.096 10 G HN 1.062 nan 8.290 nan 0.000 0.831 11 R N 2.127 122.613 120.500 -0.024 0.000 2.061 11 R HA 0.086 4.461 4.340 0.058 0.000 0.230 11 R C 1.509 177.791 176.300 -0.029 0.000 1.140 11 R CA 2.288 58.373 56.100 -0.024 0.000 0.940 11 R CB -0.222 30.063 30.300 -0.026 0.000 0.839 11 R HN 0.828 nan 8.270 nan 0.000 0.429 12 R N -2.186 118.289 120.500 -0.041 0.000 2.698 12 R HA 0.582 4.957 4.340 0.058 0.000 0.275 12 R C 0.320 176.584 176.300 -0.061 0.000 1.001 12 R CA -0.067 56.004 56.100 -0.048 0.000 0.896 12 R CB 1.413 31.680 30.300 -0.054 0.000 1.218 12 R HN 0.050 nan 8.270 nan 0.000 0.462 13 A N 1.940 124.728 122.820 -0.053 0.000 1.883 13 A HA -0.040 4.314 4.320 0.058 0.000 0.217 13 A C 1.052 178.583 177.584 -0.088 0.000 1.186 13 A CA 1.869 53.873 52.037 -0.054 0.000 0.624 13 A CB -0.422 18.556 19.000 -0.037 0.000 0.822 13 A HN 0.578 nan 8.150 nan 0.000 0.444 14 V N -4.380 115.461 119.914 -0.122 0.000 2.735 14 V HA 0.634 4.788 4.120 0.058 0.000 0.310 14 V C -3.064 172.844 176.094 -0.310 0.000 1.061 14 V CA -2.841 59.318 62.300 -0.236 0.000 0.913 14 V CB 1.374 33.089 31.823 -0.179 0.000 1.005 14 V HN 0.087 nan 8.190 nan 0.000 0.428 15 P HA 0.341 nan 4.420 nan 0.000 0.274 15 P C -2.696 174.434 177.300 -0.282 0.000 1.264 15 P CA -0.953 61.914 63.100 -0.389 0.000 0.795 15 P CB -0.232 31.189 31.700 -0.465 0.000 1.064 16 P HA 0.165 nan 4.420 nan 0.000 0.286 16 P C -1.161 176.195 177.300 0.093 0.000 1.261 16 P CA -0.357 62.739 63.100 -0.007 0.000 0.821 16 P CB 0.489 32.190 31.700 0.002 0.000 1.013 17 N N 1.840 120.625 118.700 0.142 0.000 2.609 17 N HA 0.096 4.870 4.740 0.058 0.000 0.234 17 N C -0.492 175.074 175.510 0.093 0.000 1.001 17 N CA -0.652 52.505 53.050 0.179 0.000 0.926 17 N CB -0.391 38.221 38.487 0.209 0.000 1.130 17 N HN 0.232 nan 8.380 nan 0.000 0.510 18 N N -0.199 118.547 118.700 0.077 0.000 2.416 18 N HA 0.126 4.901 4.740 0.058 0.000 0.267 18 N C -1.039 174.497 175.510 0.043 0.000 1.294 18 N CA -0.609 52.473 53.050 0.052 0.000 0.891 18 N CB 0.604 39.117 38.487 0.044 0.000 1.238 18 N HN 0.359 nan 8.380 nan 0.000 0.508 19 S N -0.267 115.456 115.700 0.039 0.000 2.619 19 S HA 0.335 4.839 4.470 0.058 0.000 0.280 19 S C -0.348 174.253 174.600 0.002 0.000 1.150 19 S CA -0.806 57.410 58.200 0.027 0.000 0.978 19 S CB 0.857 64.077 63.200 0.033 0.000 1.041 19 S HN 0.358 nan 8.310 nan 0.000 0.485 20 N N 3.189 121.885 118.700 -0.007 0.000 2.353 20 N HA 0.148 4.923 4.740 0.058 0.000 0.185 20 N C 1.406 176.889 175.510 -0.044 0.000 1.098 20 N CA 0.644 53.662 53.050 -0.053 0.000 0.872 20 N CB -0.023 38.430 38.487 -0.056 0.000 0.970 20 N HN 0.616 nan 8.380 nan 0.000 0.467 21 A N 0.707 123.523 122.820 -0.006 0.000 1.911 21 A HA 0.405 4.759 4.320 0.058 0.000 0.212 21 A C 1.066 178.640 177.584 -0.016 0.000 1.189 21 A CA 0.258 52.295 52.037 -0.001 0.000 0.639 21 A CB -0.417 18.605 19.000 0.036 0.000 0.839 21 A HN 0.305 nan 8.150 nan 0.000 0.449 22 A N 1.266 124.076 122.820 -0.017 0.000 2.546 22 A HA 0.422 4.777 4.320 0.058 0.000 0.243 22 A C 0.176 177.721 177.584 -0.066 0.000 1.063 22 A CA 0.412 52.426 52.037 -0.037 0.000 0.757 22 A CB -0.318 18.660 19.000 -0.038 0.000 0.991 22 A HN 0.651 nan 8.150 nan 0.000 0.503 23 E N 2.138 122.297 120.200 -0.068 0.000 2.343 23 E HA 0.574 4.958 4.350 0.058 0.000 0.270 23 E C -1.725 174.824 176.600 -0.086 0.000 0.895 23 E CA -0.986 55.374 56.400 -0.066 0.000 0.767 23 E CB 1.912 31.595 29.700 -0.028 0.000 1.248 23 E HN 0.627 nan 8.360 nan 0.000 0.440 24 D N 1.544 121.892 120.400 -0.087 0.000 2.342 24 D HA 0.307 4.982 4.640 0.058 0.000 0.243 24 D C -0.955 175.322 176.300 -0.037 0.000 1.019 24 D CA -0.595 53.344 54.000 -0.101 0.000 0.864 24 D CB 1.805 42.507 40.800 -0.163 0.000 1.315 24 D HN 0.258 nan 8.370 nan 0.000 0.468 25 D N 1.211 121.590 120.400 -0.035 0.000 2.280 25 D HA 0.276 4.951 4.640 0.058 0.000 0.236 25 D C 0.077 176.336 176.300 -0.068 0.000 1.082 25 D CA -0.454 53.545 54.000 -0.001 0.000 0.834 25 D CB 1.241 42.051 40.800 0.016 0.000 1.100 25 D HN 0.309 nan 8.370 nan 0.000 0.486 26 L N 4.907 126.041 121.223 -0.147 0.000 2.453 26 L HA 0.243 4.617 4.340 0.058 0.000 0.272 26 L C -1.556 175.203 176.870 -0.185 0.000 1.182 26 L CA -1.365 53.313 54.840 -0.269 0.000 0.858 26 L CB 0.140 41.846 42.059 -0.588 0.000 1.120 26 L HN 0.204 nan 8.230 nan 0.000 0.474 27 P HA 0.047 nan 4.420 nan 0.000 0.269 27 P C 0.436 177.666 177.300 -0.116 0.000 1.209 27 P CA -0.277 62.757 63.100 -0.110 0.000 0.776 27 P CB 0.860 32.498 31.700 -0.103 0.000 0.876 28 T N -0.979 113.531 114.554 -0.072 0.000 3.014 28 T HA 0.063 4.448 4.350 0.058 0.000 0.263 28 T C 0.833 175.491 174.700 -0.070 0.000 1.078 28 T CA 0.222 62.288 62.100 -0.058 0.000 1.135 28 T CB -0.129 68.725 68.868 -0.023 0.000 0.895 28 T HN 0.328 nan 8.240 nan 0.000 0.480 29 V N 3.055 122.929 119.914 -0.067 0.000 2.488 29 V HA 0.389 4.544 4.120 0.058 0.000 0.293 29 V C -0.333 175.722 176.094 -0.066 0.000 1.027 29 V CA -0.971 61.292 62.300 -0.062 0.000 0.862 29 V CB 0.839 32.641 31.823 -0.034 0.000 1.008 29 V HN 0.771 nan 8.190 nan 0.000 0.428 46 N N 1.627 120.354 118.700 0.045 0.000 3.171 46 N HA 0.383 5.157 4.740 0.058 0.000 0.239 46 N C -1.849 173.810 175.510 0.249 0.000 1.275 46 N CA -0.277 52.843 53.050 0.117 0.000 0.920 46 N CB 1.805 40.329 38.487 0.062 0.000 1.554 46 N HN 0.656 nan 8.380 nan 0.000 0.504 47 V N 0.901 120.936 119.914 0.201 0.000 2.607 47 V HA 0.530 4.685 4.120 0.058 0.000 0.289 47 V C 1.191 177.284 176.094 -0.002 0.000 1.053 47 V CA 0.886 63.222 62.300 0.059 0.000 0.996 47 V CB 0.951 32.726 31.823 -0.081 0.000 0.995 47 V HN 1.024 nan 8.190 nan 0.000 0.476 48 T N 1.107 115.630 114.554 -0.050 0.000 2.969 48 T HA 0.341 4.726 4.350 0.058 0.000 0.250 48 T C 0.403 175.069 174.700 -0.057 0.000 1.021 48 T CA 0.503 62.582 62.100 -0.036 0.000 1.003 48 T CB -0.108 68.748 68.868 -0.021 0.000 1.040 48 T HN 1.459 nan 8.240 nan 0.000 0.492 49 S N -0.063 115.577 115.700 -0.099 0.000 2.556 49 S HA 0.618 5.122 4.470 0.058 0.000 0.280 49 S C -1.548 172.976 174.600 -0.126 0.000 1.141 49 S CA -0.872 57.276 58.200 -0.086 0.000 0.883 49 S CB 1.760 64.923 63.200 -0.062 0.000 1.103 49 S HN 0.203 nan 8.310 nan 0.000 0.453 50 V N 3.750 123.607 119.914 -0.095 0.000 2.444 50 V HA 0.518 4.672 4.120 0.058 0.000 0.294 50 V C -0.413 175.646 176.094 -0.058 0.000 1.022 50 V CA -0.393 61.837 62.300 -0.115 0.000 0.850 50 V CB 1.383 33.134 31.823 -0.120 0.000 0.992 50 V HN 1.024 nan 8.190 nan 0.000 0.426 51 H N 5.828 124.773 119.070 -0.209 0.000 2.505 51 H HA 0.666 5.256 4.556 0.057 0.000 0.338 51 H C -1.398 173.682 175.328 -0.413 0.000 1.057 51 H CA -0.554 55.349 56.048 -0.242 0.000 1.202 51 H CB 1.638 31.280 29.762 -0.201 0.000 1.466 51 H HN 0.527 nan 8.280 nan 0.000 0.499 52 L N 3.928 124.673 121.223 -0.797 0.000 2.332 52 L HA 0.306 4.681 4.340 0.058 0.000 0.269 52 L C -0.546 175.772 176.870 -0.920 0.000 1.016 52 L CA -1.022 53.413 54.840 -0.675 0.000 0.809 52 L CB 1.176 43.081 42.059 -0.256 0.000 1.280 52 L HN 0.528 nan 8.230 nan 0.000 0.447 53 F N 0.969 120.764 119.950 -0.258 0.000 2.508 53 F HA 0.335 4.895 4.527 0.056 0.000 0.329 53 F C 1.207 176.876 175.800 -0.218 0.000 1.198 53 F CA -0.885 56.965 58.000 -0.250 0.000 1.268 53 F CB -0.340 38.611 39.000 -0.081 0.000 1.584 53 F HN 0.415 nan 8.300 nan 0.000 0.570 54 K N -0.196 120.127 120.400 -0.128 0.000 1.965 54 K HA -0.104 4.251 4.320 0.058 0.000 0.220 54 K C 0.337 176.792 176.600 -0.241 0.000 1.046 54 K CA 0.710 56.915 56.287 -0.138 0.000 0.974 54 K CB -0.299 32.126 32.500 -0.126 0.000 0.738 54 K HN 0.146 nan 8.250 nan 0.000 0.444 55 E N 1.475 121.445 120.200 -0.382 0.000 2.396 55 E HA -0.225 4.159 4.350 0.058 0.000 0.348 55 E C 0.672 176.863 176.600 -0.682 0.000 0.669 55 E CA 0.711 56.684 56.400 -0.711 0.000 1.277 55 E CB -0.160 28.662 29.700 -1.463 0.000 0.570 55 E HN 0.250 nan 8.360 nan 0.000 0.433 56 R N 2.454 122.721 120.500 -0.388 0.000 2.316 56 R HA -0.175 4.199 4.340 0.058 0.000 0.232 56 R C 1.855 178.116 176.300 -0.065 0.000 1.137 56 R CA 1.799 57.803 56.100 -0.160 0.000 1.012 56 R CB -0.104 30.182 30.300 -0.023 0.000 0.859 56 R HN 0.694 nan 8.270 nan 0.000 0.474 57 W N -0.318 120.990 121.300 0.013 0.000 2.762 57 W HA 0.270 4.963 4.660 0.054 0.000 0.265 57 W C 0.247 176.758 176.519 -0.012 0.000 1.263 57 W CA -0.731 56.611 57.345 -0.003 0.000 1.411 57 W CB -0.474 28.986 29.460 -0.002 0.000 1.065 57 W HN -0.191 nan 8.180 nan 0.000 0.609 58 D N 1.927 122.204 120.400 -0.205 0.000 2.362 58 D HA -0.026 4.649 4.640 0.058 0.000 0.238 58 D C 1.473 177.746 176.300 -0.046 0.000 1.212 58 D CA 1.137 55.058 54.000 -0.132 0.000 0.902 58 D CB 1.907 42.466 40.800 -0.402 0.000 1.180 58 D HN -0.177 nan 8.370 nan 0.000 0.445 59 T N 1.733 116.267 114.554 -0.032 0.000 2.544 59 T HA -0.233 4.152 4.350 0.058 0.000 0.264 59 T C 1.537 176.246 174.700 0.015 0.000 1.096 59 T CA 1.261 63.352 62.100 -0.015 0.000 1.181 59 T CB -0.440 68.413 68.868 -0.025 0.000 0.864 59 T HN 0.390 nan 8.240 nan 0.000 0.415 60 N N 1.287 120.060 118.700 0.122 0.000 2.100 60 N HA -0.163 4.612 4.740 0.058 0.000 0.199 60 N C 1.806 177.376 175.510 0.100 0.000 1.017 60 N CA 1.632 54.801 53.050 0.198 0.000 0.890 60 N CB -0.383 38.277 38.487 0.290 0.000 1.080 60 N HN 0.488 nan 8.380 nan 0.000 0.525 61 K N 0.208 120.618 120.400 0.017 0.000 2.026 61 K HA -0.040 4.315 4.320 0.058 0.000 0.208 61 K C 2.065 178.612 176.600 -0.088 0.000 1.048 61 K CA 0.974 57.244 56.287 -0.028 0.000 0.929 61 K CB -0.390 32.075 32.500 -0.060 0.000 0.713 61 K HN 0.006 nan 8.250 nan 0.000 0.439 62 V N 2.033 121.884 119.914 -0.105 0.000 2.392 62 V HA -0.243 3.912 4.120 0.058 0.000 0.249 62 V C 1.488 177.382 176.094 -0.333 0.000 1.059 62 V CA 1.920 64.124 62.300 -0.160 0.000 1.051 62 V CB -0.420 31.348 31.823 -0.091 0.000 0.658 62 V HN 0.267 nan 8.190 nan 0.000 0.455 63 D N -1.707 118.504 120.400 -0.315 0.000 2.213 63 D HA -0.065 4.610 4.640 0.058 0.000 0.205 63 D C 2.054 177.916 176.300 -0.731 0.000 0.961 63 D CA 0.848 54.553 54.000 -0.491 0.000 0.853 63 D CB -0.207 40.399 40.800 -0.324 0.000 0.967 63 D HN 0.449 nan 8.370 nan 0.000 0.496 64 H N -0.333 118.513 119.070 -0.374 0.000 2.551 64 H HA 0.052 4.642 4.556 0.057 0.000 0.266 64 H C -0.008 175.161 175.328 -0.266 0.000 0.977 64 H CA 0.638 56.524 56.048 -0.270 0.000 1.163 64 H CB 0.065 29.730 29.762 -0.162 0.000 1.381 64 H HN 0.319 nan 8.280 nan 0.000 0.581 65 H N -0.594 118.326 119.070 -0.250 0.000 2.880 65 H HA -0.138 4.452 4.556 0.057 0.000 0.304 65 H C 0.632 175.931 175.328 -0.047 0.000 1.259 65 H CA 1.002 56.882 56.048 -0.280 0.000 1.153 65 H CB -2.104 27.235 29.762 -0.704 0.000 1.395 65 H HN 0.387 nan 8.280 nan 0.000 0.420 66 T N -3.621 110.978 114.554 0.074 0.000 3.252 66 T HA 0.055 4.439 4.350 0.058 0.000 0.286 66 T C 1.219 176.014 174.700 0.159 0.000 1.013 66 T CA 0.107 62.327 62.100 0.200 0.000 0.914 66 T CB 0.372 69.247 68.868 0.012 0.000 1.131 66 T HN 0.478 nan 8.240 nan 0.000 0.529 67 D N 1.634 122.049 120.400 0.025 0.000 2.317 67 D HA -0.047 4.627 4.640 0.058 0.000 0.211 67 D C 1.463 177.742 176.300 -0.036 0.000 0.966 67 D CA 0.302 54.295 54.000 -0.011 0.000 0.876 67 D CB 0.061 40.838 40.800 -0.038 0.000 0.927 67 D HN 0.374 nan 8.370 nan 0.000 0.519 68 K N -0.495 119.798 120.400 -0.178 0.000 2.365 68 K HA 0.003 4.357 4.320 0.058 0.000 0.197 68 K C -0.052 176.457 176.600 -0.152 0.000 1.042 68 K CA -0.054 56.037 56.287 -0.326 0.000 0.987 68 K CB 0.042 31.976 32.500 -0.944 0.000 0.779 68 K HN 0.139 nan 8.250 nan 0.000 0.484 69 Y N 2.325 122.584 120.300 -0.068 0.000 2.465 69 Y HA -0.035 4.550 4.550 0.057 0.000 0.331 69 Y C 0.754 176.681 175.900 0.044 0.000 1.102 69 Y CA -0.063 58.095 58.100 0.096 0.000 1.358 69 Y CB 0.424 38.920 38.460 0.059 0.000 1.213 69 Y HN -0.113 nan 8.280 nan 0.000 0.525 70 E N 3.937 124.254 120.200 0.194 0.000 2.053 70 E HA -0.018 4.367 4.350 0.058 0.000 0.297 70 E C -0.564 176.076 176.600 0.067 0.000 1.173 70 E CA 0.125 56.575 56.400 0.084 0.000 1.219 70 E CB -0.507 29.206 29.700 0.022 0.000 1.103 70 E HN 0.513 nan 8.360 nan 0.000 0.476 71 N N 1.203 119.941 118.700 0.064 0.000 2.235 71 N HA 0.171 4.945 4.740 0.058 0.000 0.293 71 N C -0.615 174.904 175.510 0.015 0.000 1.083 71 N CA -0.529 52.534 53.050 0.021 0.000 0.801 71 N CB 1.209 39.663 38.487 -0.055 0.000 1.559 71 N HN -0.056 nan 8.380 nan 0.000 0.472 72 N N 1.250 119.966 118.700 0.027 0.000 2.451 72 N HA 0.187 4.962 4.740 0.058 0.000 0.264 72 N C -1.109 174.423 175.510 0.037 0.000 1.167 72 N CA 0.103 53.167 53.050 0.022 0.000 0.898 72 N CB 0.224 38.722 38.487 0.020 0.000 1.176 72 N HN 0.304 nan 8.380 nan 0.000 0.507 73 K N -0.152 120.284 120.400 0.060 0.000 2.466 73 K HA 0.343 4.697 4.320 0.058 0.000 0.260 73 K C -1.017 175.617 176.600 0.057 0.000 1.011 73 K CA -1.030 55.311 56.287 0.089 0.000 0.871 73 K CB 1.673 34.309 32.500 0.227 0.000 1.404 73 K HN -0.064 nan 8.250 nan 0.000 0.450 74 L N 1.906 123.151 121.223 0.037 0.000 2.410 74 L HA 0.352 4.727 4.340 0.058 0.000 0.273 74 L C -0.626 176.234 176.870 -0.017 0.000 1.152 74 L CA 0.461 55.292 54.840 -0.015 0.000 0.855 74 L CB -0.089 41.960 42.059 -0.017 0.000 1.129 74 L HN 0.444 nan 8.230 nan 0.000 0.463 75 I N 6.659 127.160 120.570 -0.116 0.000 2.439 75 I HA 0.406 4.611 4.170 0.058 0.000 0.285 75 I C -0.405 175.515 176.117 -0.329 0.000 1.021 75 I CA -0.761 60.423 61.300 -0.194 0.000 1.091 75 I CB 1.631 39.429 38.000 -0.337 0.000 1.242 75 I HN 0.526 nan 8.210 nan 0.000 0.439 76 V N 3.191 122.806 119.914 -0.499 0.000 3.166 76 V HA 0.673 4.827 4.120 0.058 0.000 0.317 76 V C -0.328 175.403 176.094 -0.605 0.000 1.136 76 V CA -1.038 60.727 62.300 -0.891 0.000 1.035 76 V CB 2.047 32.977 31.823 -1.489 0.000 1.110 76 V HN 0.639 nan 8.190 nan 0.000 0.450 77 R N 1.021 121.173 120.500 -0.579 0.000 2.494 77 R HA 0.506 4.881 4.340 0.058 0.000 0.305 77 R C -0.157 176.042 176.300 -0.169 0.000 0.959 77 R CA -0.822 55.196 56.100 -0.136 0.000 0.864 77 R CB 2.068 32.483 30.300 0.192 0.000 1.159 77 R HN 0.974 nan 8.270 nan 0.000 0.446 78 R N 0.605 120.992 120.500 -0.188 0.000 2.811 78 R HA 0.118 4.493 4.340 0.058 0.000 0.265 78 R C 0.529 176.743 176.300 -0.144 0.000 1.026 78 R CA 0.760 56.712 56.100 -0.246 0.000 1.142 78 R CB 0.103 30.248 30.300 -0.259 0.000 1.027 78 R HN 0.791 nan 8.270 nan 0.000 0.465 79 G N 0.062 108.725 108.800 -0.229 0.000 2.162 79 G HA2 -0.303 3.692 3.960 0.058 0.000 0.260 79 G HA3 -0.303 3.692 3.960 0.058 0.000 0.260 79 G C -0.154 174.698 174.900 -0.081 0.000 0.976 79 G CA 0.546 45.554 45.100 -0.153 0.000 0.655 79 G HN 0.668 nan 8.290 nan 0.000 0.533 80 Q N -0.145 119.634 119.800 -0.035 0.000 2.433 80 Q HA 0.607 4.981 4.340 0.058 0.000 0.279 80 Q C 0.088 176.166 176.000 0.130 0.000 1.105 80 Q CA -0.175 55.672 55.803 0.073 0.000 0.815 80 Q CB 1.989 30.870 28.738 0.239 0.000 1.403 80 Q HN 0.509 nan 8.270 nan 0.000 0.435 81 S N 0.848 116.592 115.700 0.073 0.000 2.610 81 S HA 0.750 5.254 4.470 0.058 0.000 0.273 81 S C -0.525 174.211 174.600 0.227 0.000 1.274 81 S CA -0.538 57.696 58.200 0.058 0.000 1.023 81 S CB 0.408 63.531 63.200 -0.128 0.000 0.962 81 S HN 0.460 nan 8.310 nan 0.000 0.523 82 F N -1.848 118.046 119.950 -0.094 0.000 2.645 82 F HA 0.742 5.304 4.527 0.059 0.000 0.310 82 F C -1.753 173.969 175.800 -0.130 0.000 1.102 82 F CA -2.115 55.887 58.000 0.004 0.000 0.952 82 F CB 0.355 39.467 39.000 0.186 0.000 1.326 82 F HN 0.507 nan 8.300 nan 0.000 0.456 83 Y N 1.282 121.637 120.300 0.091 0.000 2.419 83 Y HA 0.717 5.301 4.550 0.057 0.000 0.328 83 Y C 0.281 176.087 175.900 -0.157 0.000 1.162 83 Y CA -0.805 57.310 58.100 0.024 0.000 1.174 83 Y CB 1.891 40.578 38.460 0.378 0.000 1.228 83 Y HN 0.710 nan 8.280 nan 0.000 0.473 84 V N -0.192 119.648 119.914 -0.123 0.000 3.188 84 V HA 0.664 4.819 4.120 0.058 0.000 0.305 84 V C -1.468 174.473 176.094 -0.255 0.000 1.232 84 V CA -0.961 61.145 62.300 -0.322 0.000 1.043 84 V CB 2.024 33.706 31.823 -0.235 0.000 1.068 84 V HN 0.803 nan 8.190 nan 0.000 0.439 85 Q N 1.483 121.097 119.800 -0.310 0.000 2.305 85 Q HA 0.739 5.114 4.340 0.058 0.000 0.271 85 Q C -1.899 173.986 176.000 -0.191 0.000 1.046 85 Q CA -0.732 54.972 55.803 -0.165 0.000 0.798 85 Q CB 2.383 31.077 28.738 -0.075 0.000 1.286 85 Q HN 0.890 nan 8.270 nan 0.000 0.435 86 I N 2.858 123.267 120.570 -0.267 0.000 2.406 86 I HA 0.361 4.565 4.170 0.058 0.000 0.290 86 I C -1.011 174.730 176.117 -0.627 0.000 0.999 86 I CA -0.899 60.103 61.300 -0.496 0.000 1.124 86 I CB 1.855 39.431 38.000 -0.708 0.000 1.289 86 I HN 0.526 nan 8.210 nan 0.000 0.441 87 D N 6.184 126.273 120.400 -0.519 0.000 2.303 87 D HA 0.451 5.126 4.640 0.058 0.000 0.236 87 D C -0.542 175.508 176.300 -0.416 0.000 1.068 87 D CA -0.002 53.782 54.000 -0.359 0.000 0.830 87 D CB 1.153 41.852 40.800 -0.167 0.000 1.109 87 D HN 0.051 nan 8.370 nan 0.000 0.496 88 F N 0.374 120.279 119.950 -0.074 0.000 2.380 88 F HA 0.172 4.734 4.527 0.059 0.000 0.319 88 F C 2.136 177.912 175.800 -0.039 0.000 1.113 88 F CA -0.809 57.146 58.000 -0.076 0.000 1.056 88 F CB 0.864 39.813 39.000 -0.085 0.000 1.289 88 F HN 0.249 nan 8.300 nan 0.000 0.515 89 S N 0.122 115.943 115.700 0.203 0.000 2.423 89 S HA -0.021 4.484 4.470 0.058 0.000 0.231 89 S C 0.487 175.142 174.600 0.092 0.000 1.014 89 S CA 0.441 58.702 58.200 0.101 0.000 0.965 89 S CB -0.393 62.850 63.200 0.073 0.000 0.785 89 S HN 0.713 nan 8.310 nan 0.000 0.495 90 R N -0.253 120.318 120.500 0.119 0.000 2.817 90 R HA 0.643 5.018 4.340 0.058 0.000 0.268 90 R C -3.681 172.686 176.300 0.112 0.000 1.027 90 R CA -2.348 53.800 56.100 0.080 0.000 0.928 90 R CB -0.069 30.251 30.300 0.032 0.000 1.228 90 R HN -0.128 nan 8.270 nan 0.000 0.469 91 P HA -0.095 nan 4.420 nan 0.000 0.265 91 P C -1.349 175.995 177.300 0.074 0.000 1.193 91 P CA 0.135 63.298 63.100 0.105 0.000 0.765 91 P CB 0.058 31.792 31.700 0.057 0.000 0.823 92 Y N 3.336 123.638 120.300 0.003 0.000 2.425 92 Y HA 0.244 4.829 4.550 0.058 0.000 0.331 92 Y C -0.072 175.809 175.900 -0.032 0.000 1.157 92 Y CA -0.310 57.716 58.100 -0.123 0.000 1.372 92 Y CB 0.326 38.755 38.460 -0.050 0.000 1.253 92 Y HN 0.285 nan 8.280 nan 0.000 0.536 93 D N 7.613 127.616 120.400 -0.662 0.000 2.505 93 D HA 0.368 5.043 4.640 0.058 0.000 0.250 93 D C -2.396 173.406 176.300 -0.829 0.000 1.164 93 D CA -2.607 51.052 54.000 -0.567 0.000 0.870 93 D CB 2.106 42.745 40.800 -0.268 0.000 1.160 93 D HN 0.293 nan 8.370 nan 0.000 0.549 94 P HA -0.151 nan 4.420 nan 0.000 0.224 94 P C 1.065 178.239 177.300 -0.209 0.000 1.142 94 P CA 0.706 63.535 63.100 -0.452 0.000 0.778 94 P CB 0.189 31.788 31.700 -0.170 0.000 0.764 95 R N 1.256 121.638 120.500 -0.196 0.000 2.052 95 R HA -0.028 4.347 4.340 0.058 0.000 0.224 95 R C 1.760 178.010 176.300 -0.084 0.000 1.165 95 R CA 1.379 57.414 56.100 -0.108 0.000 0.939 95 R CB -0.351 29.894 30.300 -0.091 0.000 0.834 95 R HN 0.143 nan 8.270 nan 0.000 0.435 96 R N 0.362 120.806 120.500 -0.094 0.000 2.388 96 R HA 0.254 4.629 4.340 0.058 0.000 0.247 96 R C -0.790 175.485 176.300 -0.042 0.000 0.931 96 R CA -0.191 55.873 56.100 -0.059 0.000 1.082 96 R CB 0.272 30.540 30.300 -0.054 0.000 1.135 96 R HN 0.080 nan 8.270 nan 0.000 0.525 97 D N 1.369 121.737 120.400 -0.054 0.000 2.350 97 D HA 0.379 5.054 4.640 0.058 0.000 0.245 97 D C -1.277 175.156 176.300 0.222 0.000 1.036 97 D CA -0.564 53.466 54.000 0.049 0.000 0.848 97 D CB 2.474 43.262 40.800 -0.020 0.000 1.307 97 D HN 0.012 nan 8.370 nan 0.000 0.469 98 L N 3.116 124.518 121.223 0.298 0.000 2.505 98 L HA 0.638 5.012 4.340 0.058 0.000 0.266 98 L C -1.892 175.278 176.870 0.500 0.000 0.954 98 L CA -0.623 54.414 54.840 0.328 0.000 0.852 98 L CB 1.488 43.663 42.059 0.193 0.000 1.282 98 L HN 0.376 nan 8.230 nan 0.000 0.403 99 F N 2.659 122.759 119.950 0.250 0.000 2.741 99 F HA 0.928 5.489 4.527 0.057 0.000 0.313 99 F C -1.582 174.373 175.800 0.259 0.000 1.153 99 F CA -0.891 57.298 58.000 0.314 0.000 0.931 99 F CB 1.539 40.640 39.000 0.169 0.000 1.335 99 F HN 0.649 nan 8.300 nan 0.000 0.460 100 R N 0.857 121.490 120.500 0.222 0.000 2.634 100 R HA 0.677 5.052 4.340 0.058 0.000 0.263 100 R C -2.303 174.094 176.300 0.162 0.000 1.060 100 R CA -1.147 54.952 56.100 -0.002 0.000 0.898 100 R CB 1.453 31.771 30.300 0.029 0.000 1.253 100 R HN 0.600 nan 8.270 nan 0.000 0.461 101 V N 1.380 121.315 119.914 0.035 0.000 2.649 101 V HA 0.264 4.418 4.120 0.058 0.000 0.292 101 V C 0.218 176.215 176.094 -0.160 0.000 1.055 101 V CA -0.252 62.027 62.300 -0.035 0.000 1.023 101 V CB 1.150 32.922 31.823 -0.085 0.000 0.992 101 V HN 0.722 nan 8.190 nan 0.000 0.480 102 E N 2.316 122.379 120.200 -0.229 0.000 2.222 102 E HA 0.541 4.925 4.350 0.058 0.000 0.267 102 E C -1.830 174.510 176.600 -0.433 0.000 0.884 102 E CA -0.611 55.627 56.400 -0.270 0.000 0.764 102 E CB 2.181 31.874 29.700 -0.011 0.000 1.169 102 E HN 0.627 nan 8.360 nan 0.000 0.413 103 Y N 0.945 121.127 120.300 -0.197 0.000 2.341 103 Y HA 0.433 5.017 4.550 0.057 0.000 0.338 103 Y C -0.293 175.647 175.900 0.067 0.000 0.965 103 Y CA -0.907 57.164 58.100 -0.048 0.000 1.108 103 Y CB 1.873 40.183 38.460 -0.251 0.000 1.180 103 Y HN 0.287 nan 8.280 nan 0.000 0.458 104 V N 3.912 124.069 119.914 0.404 0.000 2.760 104 V HA 0.744 4.899 4.120 0.058 0.000 0.309 104 V C -1.480 174.746 176.094 0.220 0.000 1.077 104 V CA -0.843 61.664 62.300 0.345 0.000 0.910 104 V CB 1.932 33.976 31.823 0.369 0.000 1.008 104 V HN 0.770 nan 8.190 nan 0.000 0.424 105 I N 4.513 125.135 120.570 0.088 0.000 2.647 105 I HA 0.858 5.063 4.170 0.058 0.000 0.295 105 I C 0.529 176.606 176.117 -0.067 0.000 1.078 105 I CA 0.728 61.956 61.300 -0.120 0.000 1.048 105 I CB 1.652 39.377 38.000 -0.457 0.000 1.239 105 I HN 1.615 nan 8.210 nan 0.000 0.421 106 G N 6.130 114.876 108.800 -0.089 0.000 2.693 106 G HA2 -0.267 3.728 3.960 0.058 0.000 0.226 106 G HA3 -0.267 3.728 3.960 0.058 0.000 0.226 106 G C 0.183 175.024 174.900 -0.098 0.000 1.354 106 G CA 0.292 45.352 45.100 -0.066 0.000 0.873 106 G HN 0.842 nan 8.290 nan 0.000 0.562 107 R N -1.143 119.254 120.500 -0.173 0.000 2.265 107 R HA 0.206 4.580 4.340 0.058 0.000 0.194 107 R C 0.142 176.034 176.300 -0.680 0.000 0.931 107 R CA 0.645 56.488 56.100 -0.427 0.000 1.032 107 R CB 0.114 30.066 30.300 -0.580 0.000 0.980 107 R HN 0.514 nan 8.270 nan 0.000 0.497 108 Y N 0.990 121.292 120.300 0.004 0.000 2.638 108 Y HA 0.404 4.989 4.550 0.058 0.000 0.367 108 Y C -2.319 173.587 175.900 0.010 0.000 1.001 108 Y CA -3.071 55.028 58.100 -0.002 0.000 1.133 108 Y CB 0.685 39.144 38.460 -0.002 0.000 1.199 108 Y HN 0.004 nan 8.280 nan 0.000 0.642 109 P HA 0.012 nan 4.420 nan 0.000 0.266 109 P C -0.449 176.913 177.300 0.104 0.000 1.193 109 P CA 0.209 63.373 63.100 0.107 0.000 0.770 109 P CB 0.660 32.427 31.700 0.111 0.000 0.836 110 Q N 0.868 120.758 119.800 0.150 0.000 2.296 110 Q HA 0.050 4.424 4.340 0.058 0.000 0.254 110 Q C 0.429 176.532 176.000 0.172 0.000 0.936 110 Q CA -0.320 55.555 55.803 0.121 0.000 0.834 110 Q CB 1.226 30.020 28.738 0.093 0.000 1.340 110 Q HN 0.454 nan 8.270 nan 0.000 0.428 111 E N 2.598 122.929 120.200 0.219 0.000 2.219 111 E HA -0.289 4.096 4.350 0.058 0.000 0.198 111 E C 1.071 177.747 176.600 0.126 0.000 0.998 111 E CA 1.418 57.953 56.400 0.226 0.000 0.818 111 E CB 0.238 30.092 29.700 0.257 0.000 0.741 111 E HN 0.632 nan 8.360 nan 0.000 0.477 112 N N -0.537 118.225 118.700 0.103 0.000 2.188 112 N HA -0.118 4.657 4.740 0.058 0.000 0.184 112 N C 1.109 176.665 175.510 0.076 0.000 1.018 112 N CA 0.733 53.828 53.050 0.076 0.000 0.858 112 N CB 0.207 38.731 38.487 0.061 0.000 0.989 112 N HN -0.012 nan 8.380 nan 0.000 0.426 113 K N -0.494 119.960 120.400 0.090 0.000 2.358 113 K HA 0.155 4.510 4.320 0.058 0.000 0.197 113 K C 0.917 177.580 176.600 0.106 0.000 1.025 113 K CA 0.520 56.861 56.287 0.090 0.000 1.104 113 K CB 0.906 33.460 32.500 0.090 0.000 0.855 113 K HN 0.291 nan 8.250 nan 0.000 0.531 114 G N 1.983 110.852 108.800 0.116 0.000 2.157 114 G HA2 -0.287 3.708 3.960 0.058 0.000 0.248 114 G HA3 -0.287 3.708 3.960 0.058 0.000 0.248 114 G C 0.759 175.758 174.900 0.166 0.000 0.979 114 G CA 0.918 46.096 45.100 0.130 0.000 0.650 114 G HN 0.351 nan 8.290 nan 0.000 0.529 115 T N -3.301 111.353 114.554 0.166 0.000 3.122 115 T HA 0.503 4.887 4.350 0.058 0.000 0.250 115 T C 0.111 174.955 174.700 0.241 0.000 1.067 115 T CA 0.496 62.706 62.100 0.183 0.000 0.966 115 T CB 0.324 69.267 68.868 0.126 0.000 1.002 115 T HN 1.114 nan 8.240 nan 0.000 0.542 116 Y N 1.117 121.464 120.300 0.077 0.000 2.301 116 Y HA 0.575 5.160 4.550 0.057 0.000 0.325 116 Y C -1.840 174.046 175.900 -0.023 0.000 1.103 116 Y CA -2.307 55.819 58.100 0.043 0.000 1.182 116 Y CB 0.912 39.388 38.460 0.027 0.000 1.139 116 Y HN 0.172 nan 8.280 nan 0.000 0.443 117 I N 9.040 129.227 120.570 -0.637 0.000 2.390 117 I HA 0.422 4.627 4.170 0.058 0.000 0.283 117 I C -2.652 172.991 176.117 -0.790 0.000 1.016 117 I CA -2.028 58.840 61.300 -0.720 0.000 1.151 117 I CB 1.661 39.079 38.000 -0.969 0.000 1.293 117 I HN 0.427 nan 8.210 nan 0.000 0.458 118 P HA 0.207 nan 4.420 nan 0.000 0.287 118 P C -0.633 176.498 177.300 -0.283 0.000 1.281 118 P CA -0.334 62.539 63.100 -0.378 0.000 0.781 118 P CB 1.239 32.835 31.700 -0.173 0.000 0.903 119 V N 6.754 126.544 119.914 -0.205 0.000 2.294 119 V HA 0.300 4.455 4.120 0.058 0.000 0.272 119 V C -1.795 174.246 176.094 -0.089 0.000 1.027 119 V CA -1.837 60.413 62.300 -0.084 0.000 0.823 119 V CB 0.993 32.844 31.823 0.047 0.000 1.030 119 V HN 0.538 nan 8.190 nan 0.000 0.457 120 P HA 0.338 nan 4.420 nan 0.000 0.281 120 P C -0.608 176.603 177.300 -0.148 0.000 1.249 120 P CA -0.445 62.565 63.100 -0.150 0.000 0.810 120 P CB 1.479 33.099 31.700 -0.133 0.000 1.008 121 I N 2.471 122.911 120.570 -0.217 0.000 2.496 121 I HA 0.143 4.348 4.170 0.058 0.000 0.285 121 I C 0.874 176.933 176.117 -0.097 0.000 1.080 121 I CA -0.327 60.861 61.300 -0.186 0.000 1.404 121 I CB 0.620 38.464 38.000 -0.260 0.000 1.403 121 I HN 0.196 nan 8.210 nan 0.000 0.539 122 V N 2.616 122.494 119.914 -0.060 0.000 3.001 122 V HA 0.526 4.681 4.120 0.058 0.000 0.314 122 V C 0.689 176.775 176.094 -0.013 0.000 1.099 122 V CA -0.679 61.601 62.300 -0.033 0.000 0.989 122 V CB 1.563 33.370 31.823 -0.026 0.000 1.040 122 V HN 0.705 nan 8.190 nan 0.000 0.434 123 S N 0.496 116.193 115.700 -0.006 0.000 2.453 123 S HA 0.134 4.639 4.470 0.058 0.000 0.231 123 S C 0.426 175.028 174.600 0.003 0.000 1.005 123 S CA 1.148 59.351 58.200 0.005 0.000 0.949 123 S CB -0.299 62.904 63.200 0.004 0.000 0.774 123 S HN 0.953 nan 8.310 nan 0.000 0.510 124 E N -0.543 119.654 120.200 -0.005 0.000 2.396 124 E HA 0.471 4.856 4.350 0.058 0.000 0.280 124 E C -2.021 174.570 176.600 -0.015 0.000 1.065 124 E CA -0.447 55.948 56.400 -0.009 0.000 0.831 124 E CB 0.765 30.461 29.700 -0.006 0.000 1.272 124 E HN 0.079 nan 8.360 nan 0.000 0.443 125 L N 3.226 124.436 121.223 -0.022 0.000 2.264 125 L HA 0.499 4.874 4.340 0.058 0.000 0.289 125 L C 0.074 176.928 176.870 -0.026 0.000 1.044 125 L CA -0.897 53.927 54.840 -0.027 0.000 0.807 125 L CB 1.187 43.221 42.059 -0.042 0.000 1.192 125 L HN 0.471 nan 8.230 nan 0.000 0.425 126 Q N 1.220 121.007 119.800 -0.022 0.000 2.249 126 Q HA 0.378 4.753 4.340 0.058 0.000 0.226 126 Q C -0.315 175.665 176.000 -0.033 0.000 0.983 126 Q CA -0.330 55.459 55.803 -0.022 0.000 0.930 126 Q CB 1.075 29.805 28.738 -0.015 0.000 1.193 126 Q HN 0.506 nan 8.270 nan 0.000 0.508 127 S N -0.091 115.588 115.700 -0.035 0.000 2.562 127 S HA 0.511 5.015 4.470 0.058 0.000 0.275 127 S C 0.798 175.369 174.600 -0.047 0.000 1.281 127 S CA 0.273 58.444 58.200 -0.048 0.000 1.045 127 S CB 0.758 63.930 63.200 -0.047 0.000 0.962 127 S HN 0.874 nan 8.310 nan 0.000 0.503 128 G N 2.244 111.004 108.800 -0.067 0.000 2.179 128 G HA2 -0.186 3.809 3.960 0.058 0.000 0.260 128 G HA3 -0.186 3.809 3.960 0.058 0.000 0.260 128 G C -0.128 174.746 174.900 -0.044 0.000 0.977 128 G CA 0.038 45.102 45.100 -0.060 0.000 0.641 128 G HN 0.500 nan 8.290 nan 0.000 0.533 129 K N -0.971 119.406 120.400 -0.039 0.000 2.340 129 K HA 0.556 4.911 4.320 0.058 0.000 0.244 129 K C -0.358 176.256 176.600 0.023 0.000 0.973 129 K CA -1.048 55.254 56.287 0.024 0.000 0.828 129 K CB 1.294 33.816 32.500 0.037 0.000 1.226 129 K HN 0.126 nan 8.250 nan 0.000 0.437 130 W N 0.094 121.371 121.300 -0.040 0.000 2.129 130 W HA 0.475 5.169 4.660 0.057 0.000 0.349 130 W C 0.765 177.258 176.519 -0.044 0.000 1.279 130 W CA 0.985 58.306 57.345 -0.041 0.000 1.306 130 W CB 1.146 30.581 29.460 -0.041 0.000 1.140 130 W HN 0.743 nan 8.180 nan 0.000 0.613 131 G N -0.432 108.534 108.800 0.277 0.000 2.358 131 G HA2 0.516 4.511 3.960 0.058 0.000 0.301 131 G HA3 0.516 4.511 3.960 0.058 0.000 0.301 131 G C -2.304 172.630 174.900 0.058 0.000 1.539 131 G CA -0.415 44.753 45.100 0.114 0.000 0.893 131 G HN 0.867 nan 8.290 nan 0.000 0.636 132 A N 0.704 123.520 122.820 -0.006 0.000 2.375 132 A HA 0.805 5.160 4.320 0.058 0.000 0.295 132 A C -0.310 177.241 177.584 -0.054 0.000 1.066 132 A CA -0.574 51.435 52.037 -0.046 0.000 0.722 132 A CB 1.582 20.549 19.000 -0.056 0.000 1.206 132 A HN 0.733 nan 8.150 nan 0.000 0.435 133 K N 3.059 123.431 120.400 -0.047 0.000 2.201 133 K HA 0.416 4.770 4.320 0.058 0.000 0.278 133 K C -0.359 176.246 176.600 0.009 0.000 1.027 133 K CA -0.674 55.601 56.287 -0.019 0.000 0.909 133 K CB 0.505 32.993 32.500 -0.019 0.000 1.062 133 K HN 0.629 nan 8.250 nan 0.000 0.465 134 I N 6.297 126.891 120.570 0.039 0.000 2.349 134 I HA -0.077 4.128 4.170 0.058 0.000 0.302 134 I C 1.431 177.604 176.117 0.093 0.000 1.180 134 I CA 0.349 61.698 61.300 0.082 0.000 1.405 134 I CB 0.092 38.167 38.000 0.125 0.000 1.474 134 I HN 0.569 nan 8.210 nan 0.000 0.632 135 V N 7.328 127.302 119.914 0.100 0.000 2.720 135 V HA -0.030 4.125 4.120 0.058 0.000 0.256 135 V C 0.769 176.938 176.094 0.125 0.000 1.082 135 V CA 1.278 63.653 62.300 0.124 0.000 1.101 135 V CB -0.066 31.874 31.823 0.195 0.000 0.693 135 V HN 0.795 nan 8.190 nan 0.000 0.479 136 M N 0.386 120.062 119.600 0.127 0.000 2.564 136 M HA 0.287 4.801 4.480 0.058 0.000 0.278 136 M C -2.023 174.353 176.300 0.125 0.000 0.975 136 M CA -0.536 54.834 55.300 0.116 0.000 0.850 136 M CB 1.164 33.825 32.600 0.102 0.000 1.845 136 M HN 0.212 nan 8.290 nan 0.000 0.561 137 R N 2.576 123.152 120.500 0.127 0.000 2.621 137 R HA 0.855 5.230 4.340 0.058 0.000 0.292 137 R C -1.468 174.896 176.300 0.108 0.000 0.969 137 R CA -0.922 55.262 56.100 0.140 0.000 0.887 137 R CB 2.443 32.864 30.300 0.203 0.000 1.180 137 R HN 0.693 nan 8.270 nan 0.000 0.450 138 E N 2.060 122.318 120.200 0.097 0.000 2.304 138 E HA 0.060 4.444 4.350 0.058 0.000 0.277 138 E C -1.290 175.352 176.600 0.071 0.000 0.898 138 E CA -0.891 55.552 56.400 0.073 0.000 0.764 138 E CB 1.920 31.654 29.700 0.056 0.000 1.216 138 E HN 0.782 nan 8.360 nan 0.000 0.419 139 D N 4.478 124.915 120.400 0.063 0.000 4.847 139 D HA -0.307 4.367 4.640 0.058 0.000 0.182 139 D C 0.202 176.541 176.300 0.065 0.000 1.235 139 D CA 1.274 55.308 54.000 0.057 0.000 0.808 139 D CB -0.494 40.329 40.800 0.039 0.000 1.100 139 D HN 0.840 nan 8.370 nan 0.000 0.586 140 R N -1.379 119.179 120.500 0.096 0.000 3.908 140 R HA -0.169 4.206 4.340 0.058 0.000 0.381 140 R C -1.249 175.121 176.300 0.116 0.000 1.135 140 R CA 1.505 57.678 56.100 0.122 0.000 0.990 140 R CB -2.276 28.078 30.300 0.091 0.000 1.557 140 R HN 0.336 nan 8.270 nan 0.000 0.535 141 S N -0.883 114.878 115.700 0.102 0.000 2.569 141 S HA 0.824 5.328 4.470 0.058 0.000 0.280 141 S C -0.875 173.774 174.600 0.081 0.000 1.111 141 S CA -0.192 58.026 58.200 0.030 0.000 0.887 141 S CB 2.731 65.934 63.200 0.006 0.000 1.095 141 S HN 0.292 nan 8.310 nan 0.000 0.476 142 V N 2.010 121.929 119.914 0.008 0.000 2.638 142 V HA 0.559 4.713 4.120 0.058 0.000 0.306 142 V C -0.314 175.806 176.094 0.043 0.000 1.052 142 V CA -0.845 61.502 62.300 0.077 0.000 0.885 142 V CB 1.886 33.785 31.823 0.126 0.000 0.999 142 V HN 0.791 nan 8.190 nan 0.000 0.424 143 R N 3.266 123.826 120.500 0.100 0.000 2.407 143 R HA 0.804 5.178 4.340 0.058 0.000 0.303 143 R C -1.420 174.957 176.300 0.128 0.000 0.981 143 R CA -0.358 55.821 56.100 0.131 0.000 0.905 143 R CB 1.069 31.481 30.300 0.187 0.000 1.099 143 R HN 0.724 nan 8.270 nan 0.000 0.459 144 L N 1.690 122.973 121.223 0.100 0.000 2.354 144 L HA 0.457 4.832 4.340 0.058 0.000 0.269 144 L C -0.535 176.313 176.870 -0.037 0.000 1.005 144 L CA -0.723 54.137 54.840 0.034 0.000 0.819 144 L CB 2.330 44.383 42.059 -0.010 0.000 1.311 144 L HN 0.564 nan 8.230 nan 0.000 0.423 145 S N 3.266 118.891 115.700 -0.125 0.000 2.601 145 S HA 0.593 5.097 4.470 0.058 0.000 0.312 145 S C -0.649 173.783 174.600 -0.280 0.000 1.107 145 S CA -0.530 57.480 58.200 -0.317 0.000 1.129 145 S CB 0.091 63.125 63.200 -0.276 0.000 0.982 145 S HN 0.408 nan 8.310 nan 0.000 0.469 146 I N 4.513 124.821 120.570 -0.437 0.000 2.331 146 I HA 0.387 4.591 4.170 0.058 0.000 0.292 146 I C 0.308 176.332 176.117 -0.156 0.000 0.998 146 I CA -0.493 60.623 61.300 -0.306 0.000 1.267 146 I CB 1.537 39.263 38.000 -0.456 0.000 1.386 146 I HN 0.579 nan 8.210 nan 0.000 0.476 147 Q N 4.861 124.625 119.800 -0.059 0.000 2.301 147 Q HA 0.589 4.963 4.340 0.058 0.000 0.267 147 Q C -1.001 174.765 176.000 -0.390 0.000 1.035 147 Q CA -0.667 55.062 55.803 -0.124 0.000 0.856 147 Q CB 2.230 30.895 28.738 -0.122 0.000 1.337 147 Q HN 0.800 nan 8.270 nan 0.000 0.450 148 S N 0.711 115.979 115.700 -0.720 0.000 2.566 148 S HA 0.451 4.956 4.470 0.058 0.000 0.298 148 S C -0.465 173.533 174.600 -1.003 0.000 1.083 148 S CA -0.842 56.374 58.200 -1.640 0.000 0.978 148 S CB 1.761 63.964 63.200 -1.662 0.000 1.073 148 S HN 0.555 nan 8.310 nan 0.000 0.491 149 S N 2.186 117.241 115.700 -1.074 0.000 2.549 149 S HA 0.237 4.742 4.470 0.058 0.000 0.286 149 S C -1.439 172.994 174.600 -0.279 0.000 1.314 149 S CA -1.290 56.674 58.200 -0.394 0.000 1.062 149 S CB 0.200 63.339 63.200 -0.103 0.000 0.865 149 S HN 0.657 nan 8.310 nan 0.000 0.498 150 P HA 0.034 nan 4.420 nan 0.000 0.242 150 P C -0.073 177.195 177.300 -0.053 0.000 1.197 150 P CA 0.603 63.641 63.100 -0.103 0.000 0.765 150 P CB 0.071 31.732 31.700 -0.065 0.000 0.936 151 K N -1.139 119.235 120.400 -0.043 0.000 2.478 151 K HA 0.122 4.477 4.320 0.058 0.000 0.205 151 K C 0.433 177.037 176.600 0.007 0.000 1.033 151 K CA -0.443 55.848 56.287 0.007 0.000 1.091 151 K CB -0.629 31.893 32.500 0.037 0.000 0.844 151 K HN 0.073 nan 8.250 nan 0.000 0.507 152 C N 2.028 121.303 119.300 -0.042 0.000 2.657 152 C HA 0.195 4.690 4.460 0.058 0.000 0.420 152 C C 1.087 176.086 174.990 0.014 0.000 1.323 152 C CA -0.653 58.376 59.018 0.017 0.000 1.894 152 C CB -0.735 26.965 27.740 -0.067 0.000 2.681 152 C HN 0.423 nan 8.230 nan 0.000 0.613 153 I N 5.926 126.592 120.570 0.160 0.000 2.752 153 I HA 0.034 4.239 4.170 0.058 0.000 0.289 153 I C 0.451 176.670 176.117 0.169 0.000 1.197 153 I CA 0.330 61.729 61.300 0.165 0.000 1.432 153 I CB 0.414 38.567 38.000 0.255 0.000 1.359 153 I HN 0.392 nan 8.210 nan 0.000 0.571 154 V N 6.376 126.271 119.914 -0.032 0.000 2.649 154 V HA 0.742 4.897 4.120 0.058 0.000 0.292 154 V C 0.700 176.826 176.094 0.053 0.000 1.055 154 V CA 0.513 62.775 62.300 -0.064 0.000 1.023 154 V CB 0.889 32.550 31.823 -0.270 0.000 0.992 154 V HN 1.104 nan 8.190 nan 0.000 0.480 155 G N 4.098 112.962 108.800 0.108 0.000 2.368 155 G HA2 0.256 4.251 3.960 0.058 0.000 0.269 155 G HA3 0.256 4.251 3.960 0.058 0.000 0.269 155 G C -1.218 173.685 174.900 0.004 0.000 1.291 155 G CA -0.504 44.590 45.100 -0.010 0.000 0.903 155 G HN 0.673 nan 8.290 nan 0.000 0.483 156 K N 0.591 120.857 120.400 -0.223 0.000 2.575 156 K HA 0.623 4.978 4.320 0.058 0.000 0.236 156 K C -1.055 175.364 176.600 -0.300 0.000 0.976 156 K CA -0.617 55.477 56.287 -0.323 0.000 0.985 156 K CB 0.268 32.449 32.500 -0.533 0.000 1.198 156 K HN 0.223 nan 8.250 nan 0.000 0.464 157 F N 1.737 121.602 119.950 -0.141 0.000 2.378 157 F HA 0.430 4.991 4.527 0.057 0.000 0.319 157 F C 0.953 176.760 175.800 0.011 0.000 1.155 157 F CA -0.479 57.515 58.000 -0.009 0.000 1.157 157 F CB 0.740 39.779 39.000 0.066 0.000 1.252 157 F HN 0.295 nan 8.300 nan 0.000 0.550 158 R N 1.100 121.751 120.500 0.252 0.000 2.604 158 R HA 0.559 4.934 4.340 0.058 0.000 0.287 158 R C -0.733 175.595 176.300 0.046 0.000 0.970 158 R CA -0.773 55.362 56.100 0.059 0.000 0.946 158 R CB 1.733 32.042 30.300 0.015 0.000 1.127 158 R HN 0.657 nan 8.270 nan 0.000 0.473 159 M N 2.713 122.186 119.600 -0.211 0.000 2.436 159 M HA 0.439 4.954 4.480 0.058 0.000 0.331 159 M C -1.657 174.350 176.300 -0.489 0.000 1.135 159 M CA -0.441 54.665 55.300 -0.323 0.000 0.987 159 M CB 1.093 33.579 32.600 -0.191 0.000 1.687 159 M HN 0.566 nan 8.290 nan 0.000 0.445 160 Y N 1.667 121.844 120.300 -0.205 0.000 2.615 160 Y HA 0.641 5.227 4.550 0.059 0.000 0.341 160 Y C -0.931 174.908 175.900 -0.100 0.000 1.089 160 Y CA -0.878 57.156 58.100 -0.110 0.000 1.049 160 Y CB 2.141 40.561 38.460 -0.066 0.000 1.296 160 Y HN 0.361 nan 8.280 nan 0.000 0.470 161 V N 1.530 121.530 119.914 0.143 0.000 2.483 161 V HA 0.831 4.986 4.120 0.058 0.000 0.297 161 V C -0.575 175.591 176.094 0.121 0.000 1.027 161 V CA -0.939 61.446 62.300 0.141 0.000 0.855 161 V CB 1.235 33.138 31.823 0.134 0.000 0.995 161 V HN 0.831 nan 8.190 nan 0.000 0.424 162 A N 4.372 127.267 122.820 0.125 0.000 2.304 162 A HA 0.859 5.214 4.320 0.058 0.000 0.323 162 A C -0.697 176.854 177.584 -0.055 0.000 1.195 162 A CA -0.568 51.415 52.037 -0.089 0.000 0.826 162 A CB 1.466 20.320 19.000 -0.243 0.000 1.184 162 A HN 0.720 nan 8.150 nan 0.000 0.496 163 V N 2.492 122.284 119.914 -0.202 0.000 2.378 163 V HA 0.243 4.398 4.120 0.058 0.000 0.288 163 V C -1.186 174.776 176.094 -0.220 0.000 1.016 163 V CA -0.357 61.921 62.300 -0.037 0.000 0.840 163 V CB 0.800 32.636 31.823 0.022 0.000 0.994 163 V HN 0.885 nan 8.190 nan 0.000 0.431 164 W N 4.013 125.349 121.300 0.060 0.000 2.247 164 W HA 0.471 5.166 4.660 0.058 0.000 0.394 164 W C 1.166 177.677 176.519 -0.014 0.000 0.939 164 W CA -0.596 56.761 57.345 0.020 0.000 1.548 164 W CB 0.081 29.549 29.460 0.013 0.000 1.610 164 W HN 0.641 nan 8.180 nan 0.000 0.336 165 T N -0.168 114.423 114.554 0.062 0.000 2.816 165 T HA 0.263 4.648 4.350 0.058 0.000 0.282 165 T C -0.915 173.722 174.700 -0.105 0.000 0.993 165 T CA -1.692 60.398 62.100 -0.016 0.000 0.994 165 T CB 1.635 70.496 68.868 -0.010 0.000 1.025 165 T HN 0.229 nan 8.240 nan 0.000 0.529 166 P HA 0.054 nan 4.420 nan 0.000 0.242 166 P C -0.269 176.595 177.300 -0.727 0.000 1.197 166 P CA 0.570 63.343 63.100 -0.545 0.000 0.765 166 P CB -0.180 31.066 31.700 -0.756 0.000 0.936 167 Y N -0.592 119.726 120.300 0.031 0.000 2.626 167 Y HA 0.525 5.109 4.550 0.058 0.000 0.248 167 Y C 1.325 177.228 175.900 0.006 0.000 1.147 167 Y CA -0.204 57.906 58.100 0.015 0.000 1.219 167 Y CB 0.650 39.113 38.460 0.005 0.000 1.279 167 Y HN 0.009 nan 8.280 nan 0.000 0.541 168 G N -0.436 108.406 108.800 0.071 0.000 2.334 168 G HA2 0.159 4.153 3.960 0.058 0.000 0.566 168 G HA3 0.159 4.153 3.960 0.058 0.000 0.566 168 G C -1.439 173.422 174.900 -0.066 0.000 1.413 168 G CA -1.057 44.056 45.100 0.022 0.000 0.993 168 G HN -0.057 nan 8.290 nan 0.000 0.642 169 V N 0.721 120.516 119.914 -0.198 0.000 2.715 169 V HA 0.462 4.616 4.120 0.058 0.000 0.299 169 V C 0.962 176.892 176.094 -0.273 0.000 1.054 169 V CA -0.120 61.918 62.300 -0.437 0.000 1.077 169 V CB 1.076 32.437 31.823 -0.771 0.000 0.972 169 V HN 0.642 nan 8.190 nan 0.000 0.484 170 L N 5.472 126.546 121.223 -0.248 0.000 2.322 170 L HA 0.711 5.086 4.340 0.058 0.000 0.281 170 L C 0.026 176.802 176.870 -0.157 0.000 1.014 170 L CA -0.395 54.362 54.840 -0.139 0.000 0.815 170 L CB 1.641 43.658 42.059 -0.070 0.000 1.247 170 L HN 0.727 nan 8.230 nan 0.000 0.421 171 R N 1.126 121.559 120.500 -0.111 0.000 2.740 171 R HA 0.510 4.884 4.340 0.058 0.000 0.273 171 R C -0.679 175.627 176.300 0.010 0.000 0.998 171 R CA -0.494 55.560 56.100 -0.076 0.000 0.900 171 R CB 2.080 32.286 30.300 -0.157 0.000 1.223 171 R HN 0.711 nan 8.270 nan 0.000 0.466 172 T N 0.370 114.980 114.554 0.092 0.000 2.791 172 T HA 0.121 4.506 4.350 0.058 0.000 0.323 172 T C 0.581 175.390 174.700 0.183 0.000 1.082 172 T CA -0.357 61.818 62.100 0.125 0.000 1.084 172 T CB 0.610 69.550 68.868 0.120 0.000 0.992 172 T HN 0.628 nan 8.240 nan 0.000 0.547 173 S N 0.263 116.025 115.700 0.105 0.000 2.669 173 S HA 0.497 5.002 4.470 0.058 0.000 0.270 173 S C 0.141 174.794 174.600 0.088 0.000 1.225 173 S CA -1.217 57.045 58.200 0.104 0.000 0.991 173 S CB 0.595 63.820 63.200 0.042 0.000 0.987 173 S HN 0.835 nan 8.310 nan 0.000 0.552 174 R N 1.416 121.970 120.500 0.089 0.000 2.502 174 R HA 0.179 4.554 4.340 0.058 0.000 0.292 174 R C -0.940 175.315 176.300 -0.075 0.000 0.998 174 R CA 0.599 56.702 56.100 0.005 0.000 1.056 174 R CB -0.879 29.441 30.300 0.033 0.000 0.939 174 R HN 0.726 nan 8.270 nan 0.000 0.411 175 N N 5.386 123.985 118.700 -0.169 0.000 2.581 175 N HA 0.337 5.112 4.740 0.058 0.000 0.279 175 N C -2.428 173.002 175.510 -0.132 0.000 1.124 175 N CA -2.003 50.968 53.050 -0.132 0.000 0.833 175 N CB 1.858 40.265 38.487 -0.134 0.000 1.338 175 N HN 0.286 nan 8.380 nan 0.000 0.533 176 P HA -0.086 nan 4.420 nan 0.000 0.215 176 P C 0.615 177.881 177.300 -0.057 0.000 1.153 176 P CA 0.991 64.049 63.100 -0.069 0.000 0.853 176 P CB 0.415 32.089 31.700 -0.043 0.000 0.788 177 E N -1.058 119.113 120.200 -0.047 0.000 2.515 177 E HA -0.065 4.320 4.350 0.058 0.000 0.201 177 E C 1.225 177.800 176.600 -0.041 0.000 1.071 177 E CA 1.163 57.543 56.400 -0.033 0.000 0.880 177 E CB -0.690 28.996 29.700 -0.023 0.000 0.828 177 E HN 0.422 nan 8.360 nan 0.000 0.540 178 T N -2.999 111.518 114.554 -0.061 0.000 3.044 178 T HA 0.066 4.450 4.350 0.058 0.000 0.260 178 T C 0.358 175.041 174.700 -0.028 0.000 1.019 178 T CA -0.561 61.508 62.100 -0.052 0.000 0.921 178 T CB 0.272 69.087 68.868 -0.088 0.000 1.053 178 T HN -0.234 nan 8.240 nan 0.000 0.533 179 D N 3.615 123.980 120.400 -0.059 0.000 2.502 179 D HA 0.165 4.840 4.640 0.058 0.000 0.249 179 D C -0.109 176.148 176.300 -0.071 0.000 1.188 179 D CA 0.799 54.748 54.000 -0.084 0.000 0.890 179 D CB 0.753 41.460 40.800 -0.155 0.000 1.140 179 D HN 0.272 nan 8.370 nan 0.000 0.505 180 T N 2.708 117.258 114.554 -0.007 0.000 2.824 180 T HA 0.309 4.693 4.350 0.058 0.000 0.280 180 T C -0.131 174.531 174.700 -0.063 0.000 0.995 180 T CA -0.495 61.600 62.100 -0.009 0.000 1.009 180 T CB 0.532 69.417 68.868 0.028 0.000 0.955 180 T HN 0.111 nan 8.240 nan 0.000 0.452 181 Y N 1.822 122.079 120.300 -0.071 0.000 2.320 181 Y HA 0.536 5.121 4.550 0.059 0.000 0.334 181 Y C 0.305 176.116 175.900 -0.148 0.000 1.055 181 Y CA -0.912 57.153 58.100 -0.058 0.000 1.143 181 Y CB 0.866 39.247 38.460 -0.132 0.000 1.193 181 Y HN 0.477 nan 8.280 nan 0.000 0.477 182 I N 5.643 126.264 120.570 0.086 0.000 2.390 182 I HA 0.277 4.482 4.170 0.058 0.000 0.283 182 I C -0.642 175.428 176.117 -0.079 0.000 1.016 182 I CA -0.197 61.035 61.300 -0.113 0.000 1.151 182 I CB 0.548 38.407 38.000 -0.236 0.000 1.293 182 I HN 0.424 nan 8.210 nan 0.000 0.458 183 L N 4.380 125.538 121.223 -0.108 0.000 2.472 183 L HA 0.548 4.923 4.340 0.058 0.000 0.256 183 L C -0.040 176.780 176.870 -0.082 0.000 1.111 183 L CA -0.781 54.033 54.840 -0.043 0.000 0.800 183 L CB 0.526 42.617 42.059 0.054 0.000 1.286 183 L HN 0.252 nan 8.230 nan 0.000 0.479 184 F N 0.200 120.190 119.950 0.066 0.000 2.435 184 F HA 0.120 4.681 4.527 0.056 0.000 0.316 184 F C 0.784 176.669 175.800 0.142 0.000 1.220 184 F CA 0.258 58.307 58.000 0.081 0.000 1.241 184 F CB 0.250 39.293 39.000 0.070 0.000 1.234 184 F HN 0.383 nan 8.300 nan 0.000 0.569 185 N N 1.733 120.651 118.700 0.364 0.000 2.685 185 N HA 0.232 5.007 4.740 0.058 0.000 0.252 185 N C -2.317 173.388 175.510 0.325 0.000 1.261 185 N CA -1.867 51.406 53.050 0.372 0.000 0.768 185 N CB 1.064 39.727 38.487 0.292 0.000 1.304 185 N HN 0.044 nan 8.380 nan 0.000 0.536 186 P HA -0.047 nan 4.420 nan 0.000 0.236 186 P C 0.819 178.072 177.300 -0.078 0.000 1.172 186 P CA 0.663 63.723 63.100 -0.065 0.000 0.759 186 P CB 0.114 31.582 31.700 -0.386 0.000 0.843 187 W N -0.894 120.521 121.300 0.192 0.000 2.942 187 W HA 0.131 4.825 4.660 0.056 0.000 0.263 187 W C 0.642 177.314 176.519 0.256 0.000 1.296 187 W CA -0.123 57.345 57.345 0.205 0.000 1.504 187 W CB -0.215 29.302 29.460 0.096 0.000 1.096 187 W HN -0.066 nan 8.180 nan 0.000 0.639 188 C N 2.983 122.500 119.300 0.361 0.000 2.285 188 C HA 0.136 4.631 4.460 0.058 0.000 0.335 188 C C 1.734 176.562 174.990 -0.269 0.000 1.267 188 C CA -0.251 58.807 59.018 0.068 0.000 1.762 188 C CB -0.145 27.649 27.740 0.090 0.000 2.365 188 C HN 0.466 nan 8.230 nan 0.000 0.527 189 E N 1.962 121.701 120.200 -0.769 0.000 2.515 189 E HA -0.109 4.275 4.350 0.058 0.000 0.201 189 E C 0.316 176.663 176.600 -0.422 0.000 1.071 189 E CA 0.954 56.625 56.400 -1.214 0.000 0.880 189 E CB 0.042 29.142 29.700 -1.000 0.000 0.828 189 E HN 0.697 nan 8.360 nan 0.000 0.540 190 D N 0.701 120.973 120.400 -0.214 0.000 2.369 190 D HA 0.020 4.695 4.640 0.058 0.000 0.211 190 D C -0.180 176.108 176.300 -0.019 0.000 1.077 190 D CA 0.095 54.039 54.000 -0.093 0.000 0.842 190 D CB 0.277 41.028 40.800 -0.083 0.000 0.947 190 D HN 0.115 nan 8.370 nan 0.000 0.509 191 D N 0.421 120.835 120.400 0.022 0.000 2.210 191 D HA 0.288 4.963 4.640 0.058 0.000 0.249 191 D C 0.969 177.359 176.300 0.150 0.000 1.078 191 D CA -0.353 53.711 54.000 0.106 0.000 0.875 191 D CB 2.021 42.917 40.800 0.160 0.000 1.175 191 D HN -0.086 nan 8.370 nan 0.000 0.440 192 A N 3.211 126.114 122.820 0.138 0.000 2.019 192 A HA -0.097 4.258 4.320 0.058 0.000 0.219 192 A C 1.961 179.610 177.584 0.108 0.000 1.164 192 A CA 0.820 52.917 52.037 0.100 0.000 0.644 192 A CB -0.088 18.955 19.000 0.072 0.000 0.805 192 A HN 0.480 nan 8.150 nan 0.000 0.449 193 V N -0.630 119.388 119.914 0.172 0.000 3.573 193 V HA -0.034 4.120 4.120 0.058 0.000 0.270 193 V C 0.847 177.096 176.094 0.259 0.000 1.221 193 V CA 0.019 62.421 62.300 0.170 0.000 1.163 193 V CB -1.472 30.428 31.823 0.129 0.000 0.847 193 V HN 0.600 nan 8.190 nan 0.000 0.468 194 Y N 1.174 121.551 120.300 0.129 0.000 2.805 194 Y HA 0.180 4.765 4.550 0.057 0.000 0.331 194 Y C -0.156 175.805 175.900 0.102 0.000 1.241 194 Y CA 0.133 58.281 58.100 0.080 0.000 1.546 194 Y CB 0.153 38.654 38.460 0.069 0.000 1.248 194 Y HN 0.103 nan 8.280 nan 0.000 0.559 195 L N 7.515 128.297 121.223 -0.735 0.000 2.376 195 L HA 0.274 4.649 4.340 0.058 0.000 0.275 195 L C -0.810 175.400 176.870 -1.100 0.000 0.987 195 L CA -0.770 53.501 54.840 -0.949 0.000 0.828 195 L CB 1.286 42.791 42.059 -0.923 0.000 1.249 195 L HN 0.741 nan 8.230 nan 0.000 0.409 196 D N 3.619 123.454 120.400 -0.941 0.000 2.943 196 D HA 0.136 4.811 4.640 0.058 0.000 0.249 196 D C -0.665 175.440 176.300 -0.324 0.000 1.231 196 D CA -0.146 53.492 54.000 -0.604 0.000 0.979 196 D CB 0.251 40.846 40.800 -0.341 0.000 1.053 196 D HN 0.277 nan 8.370 nan 0.000 0.504 197 N N 1.230 119.730 118.700 -0.334 0.000 3.127 197 N HA -0.045 4.730 4.740 0.058 0.000 0.239 197 N C 0.335 175.715 175.510 -0.216 0.000 1.200 197 N CA -0.211 52.710 53.050 -0.215 0.000 0.924 197 N CB 1.676 40.039 38.487 -0.207 0.000 1.583 197 N HN 0.020 nan 8.380 nan 0.000 0.645 198 E N 2.523 122.654 120.200 -0.115 0.000 2.160 198 E HA -0.110 4.275 4.350 0.058 0.000 0.195 198 E C 1.093 177.644 176.600 -0.083 0.000 0.991 198 E CA 1.733 58.098 56.400 -0.059 0.000 0.810 198 E CB 0.338 30.073 29.700 0.057 0.000 0.742 198 E HN 0.517 nan 8.360 nan 0.000 0.466 199 K N 0.469 120.813 120.400 -0.093 0.000 2.009 199 K HA -0.145 4.210 4.320 0.058 0.000 0.210 199 K C 2.020 178.500 176.600 -0.200 0.000 1.049 199 K CA 1.891 58.112 56.287 -0.110 0.000 0.929 199 K CB -0.092 32.352 32.500 -0.093 0.000 0.714 199 K HN 0.226 nan 8.250 nan 0.000 0.440 200 E N -0.216 119.840 120.200 -0.239 0.000 2.077 200 E HA -0.172 4.212 4.350 0.058 0.000 0.193 200 E C 2.128 178.517 176.600 -0.351 0.000 0.989 200 E CA 0.871 57.060 56.400 -0.352 0.000 0.800 200 E CB -0.065 29.541 29.700 -0.156 0.000 0.746 200 E HN 0.225 nan 8.360 nan 0.000 0.452 201 R N 1.046 121.353 120.500 -0.321 0.000 2.083 201 R HA -0.166 4.209 4.340 0.058 0.000 0.237 201 R C 2.257 178.439 176.300 -0.198 0.000 1.137 201 R CA 1.422 57.287 56.100 -0.393 0.000 0.951 201 R CB -0.273 29.655 30.300 -0.620 0.000 0.851 201 R HN 0.311 nan 8.270 nan 0.000 0.434 202 E N 0.369 120.508 120.200 -0.102 0.000 2.031 202 E HA -0.226 4.158 4.350 0.058 0.000 0.193 202 E C 1.969 178.546 176.600 -0.039 0.000 0.994 202 E CA 1.114 57.519 56.400 0.008 0.000 0.800 202 E CB -0.078 29.627 29.700 0.007 0.000 0.752 202 E HN 0.216 nan 8.360 nan 0.000 0.447 203 E N 0.834 120.915 120.200 -0.197 0.000 2.013 203 E HA -0.210 4.175 4.350 0.058 0.000 0.202 203 E C 1.804 178.292 176.600 -0.186 0.000 1.018 203 E CA 1.573 57.801 56.400 -0.287 0.000 0.834 203 E CB -0.460 28.862 29.700 -0.629 0.000 0.770 203 E HN 0.283 nan 8.360 nan 0.000 0.459 204 Y N -0.829 119.487 120.300 0.027 0.000 2.574 204 Y HA 0.037 4.621 4.550 0.057 0.000 0.294 204 Y C 1.961 177.859 175.900 -0.003 0.000 1.142 204 Y CA 0.584 58.705 58.100 0.036 0.000 1.314 204 Y CB -0.064 38.451 38.460 0.090 0.000 0.991 204 Y HN -0.013 nan 8.280 nan 0.000 0.555 205 V N -2.470 117.504 119.914 0.100 0.000 3.103 205 V HA 0.006 4.161 4.120 0.058 0.000 0.229 205 V C 1.547 177.789 176.094 0.247 0.000 1.304 205 V CA 0.226 62.597 62.300 0.120 0.000 1.298 205 V CB -0.025 31.840 31.823 0.070 0.000 1.093 205 V HN 0.041 nan 8.190 nan 0.000 0.489 206 L N 0.608 122.012 121.223 0.302 0.000 2.270 206 L HA 0.244 4.619 4.340 0.058 0.000 0.210 206 L C 1.068 178.224 176.870 0.476 0.000 1.104 206 L CA 0.998 56.136 54.840 0.496 0.000 0.804 206 L CB -1.109 41.161 42.059 0.352 0.000 0.937 206 L HN 0.315 nan 8.230 nan 0.000 0.450 207 N N 1.338 120.199 118.700 0.268 0.000 2.475 207 N HA -0.048 4.726 4.740 0.058 0.000 0.267 207 N C 0.178 175.850 175.510 0.269 0.000 1.169 207 N CA 0.219 53.415 53.050 0.243 0.000 0.947 207 N CB 0.795 39.382 38.487 0.167 0.000 1.061 207 N HN 0.167 nan 8.380 nan 0.000 0.466 208 D N 3.104 123.653 120.400 0.248 0.000 2.501 208 D HA 0.186 4.861 4.640 0.058 0.000 0.226 208 D C 0.112 176.472 176.300 0.101 0.000 1.198 208 D CA 0.038 54.148 54.000 0.184 0.000 0.830 208 D CB -0.144 40.723 40.800 0.112 0.000 1.014 208 D HN 0.367 nan 8.370 nan 0.000 0.496 209 I N -0.181 120.419 120.570 0.049 0.000 2.686 209 I HA 0.648 4.852 4.170 0.058 0.000 0.295 209 I C -0.018 175.967 176.117 -0.220 0.000 1.114 209 I CA -0.976 60.240 61.300 -0.140 0.000 1.038 209 I CB 2.526 40.506 38.000 -0.032 0.000 1.238 209 I HN 0.037 nan 8.210 nan 0.000 0.420 210 G N 3.275 111.809 108.800 -0.444 0.000 2.694 210 G HA2 0.679 4.674 3.960 0.058 0.000 0.290 210 G HA3 0.679 4.674 3.960 0.058 0.000 0.290 210 G C -1.534 173.285 174.900 -0.135 0.000 1.386 210 G CA -0.599 44.352 45.100 -0.249 0.000 0.872 210 G HN 0.550 nan 8.290 nan 0.000 0.475 211 V N -1.317 118.555 119.914 -0.069 0.000 2.604 211 V HA 0.821 4.976 4.120 0.058 0.000 0.305 211 V C -0.598 175.319 176.094 -0.296 0.000 1.043 211 V CA -1.047 61.117 62.300 -0.227 0.000 0.888 211 V CB 1.425 33.038 31.823 -0.349 0.000 0.995 211 V HN 0.647 nan 8.190 nan 0.000 0.429 212 I N 5.063 125.423 120.570 -0.350 0.000 2.378 212 I HA 0.495 4.700 4.170 0.058 0.000 0.291 212 I C -0.815 175.084 176.117 -0.363 0.000 0.992 212 I CA -0.268 60.886 61.300 -0.243 0.000 1.154 212 I CB 1.670 39.596 38.000 -0.122 0.000 1.315 212 I HN 0.573 nan 8.210 nan 0.000 0.448 213 F N 6.464 126.397 119.950 -0.029 0.000 2.379 213 F HA 0.519 5.082 4.527 0.060 0.000 0.332 213 F C 0.232 175.967 175.800 -0.109 0.000 1.096 213 F CA -0.191 57.767 58.000 -0.069 0.000 1.105 213 F CB 0.883 39.844 39.000 -0.065 0.000 1.189 213 F HN 0.438 nan 8.300 nan 0.000 0.515 214 Y N -0.765 119.407 120.300 -0.214 0.000 2.962 214 Y HA 0.795 5.380 4.550 0.058 0.000 0.287 214 Y C 0.422 176.121 175.900 -0.335 0.000 1.785 214 Y CA -1.195 56.444 58.100 -0.768 0.000 1.077 214 Y CB 0.126 37.856 38.460 -1.217 0.000 2.494 214 Y HN 0.952 nan 8.280 nan 0.000 0.387 215 G N 1.190 109.792 108.800 -0.331 0.000 2.596 215 G HA2 0.144 4.138 3.960 0.058 0.000 0.258 215 G HA3 0.144 4.138 3.960 0.058 0.000 0.258 215 G C -0.739 174.198 174.900 0.062 0.000 1.207 215 G CA 0.723 45.738 45.100 -0.142 0.000 0.954 215 G HN 1.513 nan 8.290 nan 0.000 0.551 216 E N -1.797 118.331 120.200 -0.120 0.000 2.392 216 E HA 0.647 5.032 4.350 0.058 0.000 0.279 216 E C 0.598 176.791 176.600 -0.679 0.000 0.964 216 E CA -0.100 56.166 56.400 -0.224 0.000 0.777 216 E CB 1.492 31.125 29.700 -0.112 0.000 1.249 216 E HN 1.551 nan 8.360 nan 0.000 0.449 217 V N 2.134 121.509 119.914 -0.899 0.000 2.428 217 V HA -0.383 3.772 4.120 0.058 0.000 0.255 217 V C 0.912 176.692 176.094 -0.524 0.000 1.080 217 V CA 2.917 64.679 62.300 -0.897 0.000 1.083 217 V CB -0.799 30.691 31.823 -0.556 0.000 0.665 217 V HN 0.742 nan 8.190 nan 0.000 0.461 218 N N -0.707 117.788 118.700 -0.342 0.000 2.376 218 N HA 0.002 4.777 4.740 0.058 0.000 0.177 218 N C 0.257 175.632 175.510 -0.225 0.000 1.024 218 N CA 0.881 53.797 53.050 -0.225 0.000 0.893 218 N CB 0.168 38.571 38.487 -0.140 0.000 0.980 218 N HN 0.446 nan 8.380 nan 0.000 0.439 219 D N 0.355 120.598 120.400 -0.262 0.000 2.400 219 D HA 0.228 4.903 4.640 0.058 0.000 0.272 219 D C -1.205 174.923 176.300 -0.286 0.000 1.220 219 D CA -0.574 53.291 54.000 -0.226 0.000 0.897 219 D CB 0.199 40.898 40.800 -0.168 0.000 1.134 219 D HN -0.100 nan 8.370 nan 0.000 0.507 220 I N 3.127 123.518 120.570 -0.298 0.000 2.587 220 I HA 0.060 4.265 4.170 0.058 0.000 0.284 220 I C 0.642 176.594 176.117 -0.276 0.000 1.134 220 I CA 0.315 61.452 61.300 -0.271 0.000 1.410 220 I CB 0.294 38.200 38.000 -0.157 0.000 1.392 220 I HN -0.066 nan 8.210 nan 0.000 0.545 221 K N 4.823 124.918 120.400 -0.507 0.000 2.164 221 K HA 0.642 4.996 4.320 0.058 0.000 0.258 221 K C 0.045 176.203 176.600 -0.736 0.000 0.951 221 K CA -0.596 55.263 56.287 -0.713 0.000 0.844 221 K CB 1.823 33.591 32.500 -1.219 0.000 1.099 221 K HN 0.703 nan 8.250 nan 0.000 0.435 222 T N -0.915 113.383 114.554 -0.427 0.000 2.927 222 T HA 0.746 5.131 4.350 0.058 0.000 0.286 222 T C -0.433 174.164 174.700 -0.172 0.000 1.040 222 T CA -0.960 60.906 62.100 -0.390 0.000 1.010 222 T CB 2.350 70.967 68.868 -0.418 0.000 1.177 222 T HN 0.541 nan 8.240 nan 0.000 0.546 223 R N 0.577 120.937 120.500 -0.232 0.000 2.736 223 R HA 0.303 4.678 4.340 0.058 0.000 0.250 223 R C -1.860 174.289 176.300 -0.252 0.000 1.098 223 R CA -0.375 55.590 56.100 -0.226 0.000 0.978 223 R CB 1.533 31.626 30.300 -0.346 0.000 1.263 223 R HN 0.734 nan 8.270 nan 0.000 0.460 224 S N 3.294 118.871 115.700 -0.205 0.000 2.562 224 S HA 0.505 5.010 4.470 0.058 0.000 0.275 224 S C -1.010 173.526 174.600 -0.107 0.000 1.281 224 S CA -0.475 57.635 58.200 -0.150 0.000 1.045 224 S CB 0.563 63.687 63.200 -0.126 0.000 0.962 224 S HN 0.449 nan 8.310 nan 0.000 0.503 225 W N 2.301 123.429 121.300 -0.286 0.000 2.736 225 W HA 0.474 5.175 4.660 0.068 0.000 0.335 225 W C -0.635 175.672 176.519 -0.355 0.000 1.059 225 W CA -0.705 56.482 57.345 -0.265 0.000 1.226 225 W CB 1.850 31.175 29.460 -0.225 0.000 1.416 225 W HN 0.539 nan 8.180 nan 0.000 0.505 226 S N 4.500 119.826 115.700 -0.623 0.000 2.423 226 S HA 0.205 4.710 4.470 0.058 0.000 0.317 226 S C 0.421 174.923 174.600 -0.163 0.000 1.065 226 S CA -0.380 57.599 58.200 -0.367 0.000 1.111 226 S CB 0.261 63.286 63.200 -0.291 0.000 0.968 226 S HN 0.392 nan 8.310 nan 0.000 0.474 227 Y N 3.983 124.387 120.300 0.173 0.000 2.163 227 Y HA 0.117 4.701 4.550 0.057 0.000 0.288 227 Y C 2.300 178.235 175.900 0.058 0.000 1.136 227 Y CA 0.615 58.829 58.100 0.191 0.000 1.147 227 Y CB -0.969 37.555 38.460 0.106 0.000 0.987 227 Y HN 0.939 nan 8.280 nan 0.000 0.509 228 G N 1.023 109.899 108.800 0.125 0.000 2.305 228 G HA2 -0.339 3.655 3.960 0.058 0.000 0.287 228 G HA3 -0.339 3.655 3.960 0.058 0.000 0.287 228 G C 1.185 176.077 174.900 -0.013 0.000 1.036 228 G CA 0.697 45.830 45.100 0.055 0.000 0.887 228 G HN 0.529 nan 8.290 nan 0.000 0.505 229 Q N -0.930 118.755 119.800 -0.191 0.000 2.226 229 Q HA -0.065 4.309 4.340 0.058 0.000 0.204 229 Q C 1.772 177.517 176.000 -0.425 0.000 0.975 229 Q CA 1.585 57.177 55.803 -0.352 0.000 0.866 229 Q CB -0.324 28.071 28.738 -0.571 0.000 0.915 229 Q HN 0.619 nan 8.270 nan 0.000 0.440 230 F N 1.873 121.739 119.950 -0.141 0.000 2.797 230 F HA 0.255 4.813 4.527 0.052 0.000 0.302 230 F C 0.851 176.643 175.800 -0.013 0.000 1.130 230 F CA -0.380 57.467 58.000 -0.256 0.000 1.387 230 F CB -0.050 38.789 39.000 -0.268 0.000 1.107 230 F HN -0.085 nan 8.300 nan 0.000 0.577 231 E N 0.903 121.205 120.200 0.169 0.000 2.390 231 E HA -0.049 4.336 4.350 0.058 0.000 0.261 231 E C -0.398 176.284 176.600 0.138 0.000 1.076 231 E CA -0.277 56.244 56.400 0.201 0.000 0.905 231 E CB 0.566 30.394 29.700 0.213 0.000 0.984 231 E HN 0.062 nan 8.360 nan 0.000 0.427 232 D N 0.081 120.534 120.400 0.088 0.000 2.479 232 D HA 0.058 4.732 4.640 0.058 0.000 0.257 232 D C 0.988 177.318 176.300 0.051 0.000 1.230 232 D CA 1.625 55.646 54.000 0.035 0.000 0.912 232 D CB -0.168 40.600 40.800 -0.054 0.000 1.130 232 D HN 0.592 nan 8.370 nan 0.000 0.515 233 G N 3.968 112.806 108.800 0.064 0.000 2.313 233 G HA2 -0.289 3.705 3.960 0.058 0.000 0.215 233 G HA3 -0.289 3.705 3.960 0.058 0.000 0.215 233 G C 1.174 176.129 174.900 0.091 0.000 1.023 233 G CA 0.137 45.276 45.100 0.064 0.000 0.626 233 G HN 0.484 nan 8.290 nan 0.000 0.503 234 I N 1.151 121.785 120.570 0.107 0.000 2.194 234 I HA -0.141 4.063 4.170 0.058 0.000 0.246 234 I C 2.738 178.942 176.117 0.145 0.000 1.093 234 I CA 2.091 63.467 61.300 0.127 0.000 1.355 234 I CB -1.273 36.794 38.000 0.111 0.000 1.046 234 I HN 0.401 nan 8.210 nan 0.000 0.413 235 L N 1.214 122.524 121.223 0.144 0.000 2.046 235 L HA -0.197 4.177 4.340 0.058 0.000 0.208 235 L C 1.805 178.761 176.870 0.143 0.000 1.077 235 L CA 1.993 56.915 54.840 0.137 0.000 0.747 235 L CB -0.929 41.180 42.059 0.082 0.000 0.896 235 L HN 0.172 nan 8.230 nan 0.000 0.432 236 D N -1.397 119.088 120.400 0.141 0.000 2.264 236 D HA -0.146 4.528 4.640 0.058 0.000 0.208 236 D C 2.132 178.544 176.300 0.187 0.000 0.966 236 D CA 1.456 55.563 54.000 0.177 0.000 0.864 236 D CB 0.012 40.900 40.800 0.148 0.000 0.933 236 D HN 0.596 nan 8.370 nan 0.000 0.499 237 T N -2.492 112.173 114.554 0.185 0.000 2.942 237 T HA -0.093 4.292 4.350 0.058 0.000 0.265 237 T C 2.126 177.048 174.700 0.369 0.000 1.062 237 T CA 0.404 62.658 62.100 0.256 0.000 1.139 237 T CB -0.738 68.260 68.868 0.216 0.000 0.883 237 T HN 0.181 nan 8.240 nan 0.000 0.468 238 C N 1.148 120.634 119.300 0.309 0.000 2.411 238 C HA 0.166 4.660 4.460 0.058 0.000 0.279 238 C C 2.675 177.872 174.990 0.344 0.000 1.288 238 C CA 0.357 59.589 59.018 0.356 0.000 1.764 238 C CB -1.449 26.375 27.740 0.140 0.000 1.974 238 C HN 0.575 nan 8.230 nan 0.000 0.498 239 L N -1.041 120.344 121.223 0.271 0.000 2.313 239 L HA -0.077 4.298 4.340 0.058 0.000 0.214 239 L C 2.393 179.425 176.870 0.270 0.000 1.119 239 L CA 1.172 56.154 54.840 0.237 0.000 0.809 239 L CB -0.730 41.444 42.059 0.191 0.000 0.933 239 L HN 0.373 nan 8.230 nan 0.000 0.449 240 Y N 0.519 120.916 120.300 0.162 0.000 2.263 240 Y HA -0.142 4.446 4.550 0.063 0.000 0.292 240 Y C 2.321 178.325 175.900 0.173 0.000 1.130 240 Y CA 1.112 59.282 58.100 0.117 0.000 1.179 240 Y CB -0.216 38.275 38.460 0.053 0.000 0.998 240 Y HN -0.184 nan 8.280 nan 0.000 0.532 241 V N 0.840 120.916 119.914 0.269 0.000 2.255 241 V HA -0.407 3.747 4.120 0.058 0.000 0.247 241 V C 2.462 178.613 176.094 0.095 0.000 1.051 241 V CA 2.481 64.905 62.300 0.207 0.000 1.018 241 V CB -0.702 31.299 31.823 0.297 0.000 0.641 241 V HN 0.467 nan 8.190 nan 0.000 0.445 242 M N -0.463 119.261 119.600 0.207 0.000 2.080 242 M HA -0.234 4.281 4.480 0.058 0.000 0.260 242 M C 2.022 178.361 176.300 0.065 0.000 1.068 242 M CA 2.135 57.534 55.300 0.164 0.000 1.109 242 M CB -0.849 31.892 32.600 0.234 0.000 1.342 242 M HN 0.333 nan 8.290 nan 0.000 0.405 243 D N -0.069 120.356 120.400 0.042 0.000 2.123 243 D HA -0.124 4.551 4.640 0.058 0.000 0.196 243 D C 2.090 178.348 176.300 -0.070 0.000 0.992 243 D CA 1.030 55.029 54.000 -0.000 0.000 0.833 243 D CB -0.295 40.519 40.800 0.022 0.000 0.954 243 D HN 0.118 nan 8.370 nan 0.000 0.455 244 R N 0.351 120.741 120.500 -0.183 0.000 2.193 244 R HA 0.070 4.445 4.340 0.058 0.000 0.229 244 R C 1.649 177.904 176.300 -0.075 0.000 1.110 244 R CA 0.700 56.680 56.100 -0.200 0.000 0.988 244 R CB -0.535 29.567 30.300 -0.331 0.000 0.871 244 R HN 0.126 nan 8.270 nan 0.000 0.458 245 A N 0.324 123.120 122.820 -0.040 0.000 2.251 245 A HA 0.013 4.368 4.320 0.058 0.000 0.209 245 A C 0.411 177.990 177.584 -0.009 0.000 1.187 245 A CA -0.107 51.917 52.037 -0.022 0.000 0.823 245 A CB -0.048 18.944 19.000 -0.013 0.000 0.846 245 A HN 0.356 nan 8.150 nan 0.000 0.486 246 Q N -1.699 118.098 119.800 -0.005 0.000 2.457 246 Q HA -0.221 4.154 4.340 0.058 0.000 0.283 246 Q C 0.086 176.098 176.000 0.020 0.000 1.234 246 Q CA 0.824 56.632 55.803 0.008 0.000 0.877 246 Q CB -1.500 27.241 28.738 0.005 0.000 1.250 246 Q HN 0.828 nan 8.270 nan 0.000 0.481 247 M N 1.333 120.952 119.600 0.031 0.000 2.227 247 M HA 0.065 4.580 4.480 0.058 0.000 0.349 247 M C 0.069 176.399 176.300 0.050 0.000 1.443 247 M CA -0.015 55.312 55.300 0.046 0.000 1.110 247 M CB 0.479 33.124 32.600 0.073 0.000 1.773 247 M HN 0.073 nan 8.290 nan 0.000 0.463 248 D N 4.030 124.458 120.400 0.047 0.000 2.531 248 D HA -0.045 4.629 4.640 0.058 0.000 0.239 248 D C 0.859 177.194 176.300 0.058 0.000 1.144 248 D CA 0.398 54.428 54.000 0.050 0.000 0.869 248 D CB 0.636 41.465 40.800 0.047 0.000 1.160 248 D HN 0.698 nan 8.370 nan 0.000 0.484 249 L N 2.630 123.885 121.223 0.053 0.000 2.079 249 L HA -0.187 4.187 4.340 0.058 0.000 0.210 249 L C 2.325 179.233 176.870 0.063 0.000 1.081 249 L CA 0.921 55.788 54.840 0.045 0.000 0.752 249 L CB -0.376 41.695 42.059 0.020 0.000 0.896 249 L HN 0.393 nan 8.230 nan 0.000 0.433 250 S N -0.212 115.531 115.700 0.071 0.000 2.488 250 S HA -0.121 4.384 4.470 0.058 0.000 0.246 250 S C 1.624 176.276 174.600 0.087 0.000 0.992 250 S CA 1.111 59.360 58.200 0.082 0.000 0.963 250 S CB -0.299 62.946 63.200 0.075 0.000 0.754 250 S HN 0.653 nan 8.310 nan 0.000 0.519 251 G N 0.247 109.100 108.800 0.088 0.000 3.228 251 G HA2 0.107 4.101 3.960 0.058 0.000 0.245 251 G HA3 0.107 4.101 3.960 0.058 0.000 0.245 251 G C 1.035 176.014 174.900 0.132 0.000 1.051 251 G CA -0.493 44.668 45.100 0.103 0.000 0.809 251 G HN 0.343 nan 8.290 nan 0.000 0.531 252 R N 0.464 121.039 120.500 0.125 0.000 2.316 252 R HA 0.017 4.391 4.340 0.058 0.000 0.202 252 R C 2.123 178.532 176.300 0.182 0.000 1.029 252 R CA 0.653 56.849 56.100 0.160 0.000 1.018 252 R CB 0.160 30.530 30.300 0.116 0.000 0.888 252 R HN 0.232 nan 8.270 nan 0.000 0.471 253 G N 0.468 109.346 108.800 0.130 0.000 3.233 253 G HA2 -0.092 3.902 3.960 0.058 0.000 0.227 253 G HA3 -0.092 3.902 3.960 0.058 0.000 0.227 253 G C 0.003 175.046 174.900 0.239 0.000 1.175 253 G CA -0.289 44.856 45.100 0.074 0.000 0.781 253 G HN 0.064 nan 8.290 nan 0.000 0.542 254 N N 0.710 119.586 118.700 0.293 0.000 2.564 254 N HA 0.265 5.039 4.740 0.058 0.000 0.248 254 N C -1.461 174.198 175.510 0.250 0.000 0.986 254 N CA -2.244 50.955 53.050 0.249 0.000 0.921 254 N CB 2.654 41.237 38.487 0.160 0.000 1.136 254 N HN -0.136 nan 8.380 nan 0.000 0.509 255 P HA -0.159 nan 4.420 nan 0.000 0.217 255 P C 1.548 178.859 177.300 0.017 0.000 1.148 255 P CA 1.059 64.130 63.100 -0.048 0.000 0.828 255 P CB 0.754 32.331 31.700 -0.205 0.000 0.783 256 I N 0.390 120.994 120.570 0.057 0.000 2.072 256 I HA -0.233 3.972 4.170 0.058 0.000 0.235 256 I C 2.811 178.944 176.117 0.027 0.000 1.058 256 I CA 1.714 63.049 61.300 0.057 0.000 1.320 256 I CB -0.744 37.321 38.000 0.109 0.000 1.047 256 I HN -0.067 nan 8.210 nan 0.000 0.397 257 K N 0.846 121.276 120.400 0.050 0.000 2.209 257 K HA -0.147 4.208 4.320 0.058 0.000 0.204 257 K C 2.022 178.660 176.600 0.062 0.000 1.048 257 K CA 1.065 57.365 56.287 0.021 0.000 0.940 257 K CB 0.059 32.593 32.500 0.056 0.000 0.729 257 K HN 0.105 nan 8.250 nan 0.000 0.451 258 V N 1.047 121.039 119.914 0.130 0.000 2.295 258 V HA -0.266 3.889 4.120 0.058 0.000 0.246 258 V C 2.245 178.499 176.094 0.267 0.000 1.049 258 V CA 2.230 64.661 62.300 0.219 0.000 1.024 258 V CB -0.322 31.643 31.823 0.236 0.000 0.648 258 V HN 0.514 nan 8.190 nan 0.000 0.447 259 S N 0.304 116.129 115.700 0.208 0.000 2.387 259 S HA -0.213 4.291 4.470 0.058 0.000 0.226 259 S C 1.986 176.669 174.600 0.138 0.000 1.026 259 S CA 1.201 59.602 58.200 0.334 0.000 0.972 259 S CB -0.463 62.903 63.200 0.276 0.000 0.814 259 S HN 0.457 nan 8.310 nan 0.000 0.477 260 R N 1.534 122.013 120.500 -0.036 0.000 2.083 260 R HA -0.026 4.349 4.340 0.058 0.000 0.237 260 R C 2.014 178.211 176.300 -0.172 0.000 1.137 260 R CA 1.788 57.762 56.100 -0.210 0.000 0.951 260 R CB -1.049 29.036 30.300 -0.358 0.000 0.851 260 R HN 0.369 nan 8.270 nan 0.000 0.434 261 V N -0.544 119.322 119.914 -0.081 0.000 2.379 261 V HA 0.025 4.180 4.120 0.058 0.000 0.243 261 V C 2.268 178.294 176.094 -0.113 0.000 1.035 261 V CA 1.787 64.039 62.300 -0.080 0.000 1.035 261 V CB -0.948 30.870 31.823 -0.008 0.000 0.673 261 V HN 0.619 nan 8.190 nan 0.000 0.457 262 G N 0.851 109.631 108.800 -0.034 0.000 2.469 262 G HA2 -0.333 3.662 3.960 0.058 0.000 0.219 262 G HA3 -0.333 3.662 3.960 0.058 0.000 0.219 262 G C 1.860 176.500 174.900 -0.434 0.000 1.150 262 G CA 1.698 46.657 45.100 -0.236 0.000 0.763 262 G HN 0.640 nan 8.290 nan 0.000 0.561 263 S N 1.017 116.347 115.700 -0.616 0.000 2.402 263 S HA 0.212 4.717 4.470 0.058 0.000 0.229 263 S C 2.532 176.794 174.600 -0.562 0.000 1.021 263 S CA 1.320 58.899 58.200 -1.035 0.000 0.974 263 S CB -0.374 62.184 63.200 -1.071 0.000 0.800 263 S HN 0.633 nan 8.310 nan 0.000 0.484 264 A N 1.317 123.918 122.820 -0.365 0.000 2.121 264 A HA 0.209 4.564 4.320 0.058 0.000 0.218 264 A C 2.155 179.601 177.584 -0.229 0.000 1.154 264 A CA 1.079 52.972 52.037 -0.239 0.000 0.679 264 A CB -0.533 18.364 19.000 -0.171 0.000 0.795 264 A HN 0.475 nan 8.150 nan 0.000 0.458 265 M N -0.755 118.681 119.600 -0.274 0.000 2.388 265 M HA 0.002 4.516 4.480 0.058 0.000 0.265 265 M C 2.031 178.148 176.300 -0.305 0.000 1.088 265 M CA 0.791 55.942 55.300 -0.248 0.000 1.134 265 M CB -0.729 31.734 32.600 -0.228 0.000 1.384 265 M HN 0.247 nan 8.290 nan 0.000 0.447 266 V N 0.807 120.501 119.914 -0.367 0.000 2.287 266 V HA -0.227 3.927 4.120 0.058 0.000 0.248 266 V C 1.078 176.922 176.094 -0.416 0.000 1.053 266 V CA 1.377 63.462 62.300 -0.358 0.000 1.027 266 V CB -0.907 30.684 31.823 -0.387 0.000 0.646 266 V HN 0.511 nan 8.190 nan 0.000 0.447 267 N N 0.657 119.034 118.700 -0.538 0.000 2.500 267 N HA 0.431 5.206 4.740 0.058 0.000 0.236 267 N C -0.095 175.261 175.510 -0.257 0.000 1.022 267 N CA 0.058 52.768 53.050 -0.567 0.000 0.935 267 N CB 0.868 38.922 38.487 -0.722 0.000 1.147 267 N HN 0.373 nan 8.380 nan 0.000 0.512 268 A N 4.139 126.874 122.820 -0.142 0.000 2.512 268 A HA -0.040 4.315 4.320 0.058 0.000 0.278 268 A C 0.423 177.983 177.584 -0.039 0.000 1.128 268 A CA 0.291 52.285 52.037 -0.071 0.000 0.818 268 A CB -0.176 18.813 19.000 -0.018 0.000 1.044 268 A HN 0.623 nan 8.150 nan 0.000 0.526 269 K N 2.976 123.344 120.400 -0.053 0.000 2.142 269 K HA 0.065 4.419 4.320 0.058 0.000 0.250 269 K C -0.415 176.178 176.600 -0.012 0.000 1.148 269 K CA 0.038 56.300 56.287 -0.042 0.000 1.040 269 K CB -0.152 32.321 32.500 -0.046 0.000 1.569 269 K HN 0.845 nan 8.250 nan 0.000 0.361 270 D N 2.550 122.955 120.400 0.009 0.000 3.830 270 D HA -0.189 4.486 4.640 0.058 0.000 0.247 270 D C -0.230 176.089 176.300 0.030 0.000 1.073 270 D CA 1.036 55.051 54.000 0.024 0.000 1.116 270 D CB -1.017 39.793 40.800 0.015 0.000 0.909 270 D HN 0.873 nan 8.370 nan 0.000 0.418 271 D N 0.157 120.582 120.400 0.042 0.000 2.911 271 D HA -0.246 4.429 4.640 0.058 0.000 0.227 271 D C 0.705 177.034 176.300 0.049 0.000 1.164 271 D CA 2.053 56.082 54.000 0.050 0.000 0.782 271 D CB -0.402 40.425 40.800 0.046 0.000 1.094 271 D HN 0.754 nan 8.370 nan 0.000 0.425 272 E N -1.248 118.972 120.200 0.033 0.000 2.941 272 E HA 0.300 4.685 4.350 0.058 0.000 0.180 272 E C 1.623 178.227 176.600 0.006 0.000 1.130 272 E CA 0.012 56.427 56.400 0.025 0.000 1.243 272 E CB -0.434 29.269 29.700 0.004 0.000 1.582 272 E HN 0.171 nan 8.360 nan 0.000 0.499 273 G N 1.029 109.793 108.800 -0.060 0.000 2.518 273 G HA2 0.033 4.027 3.960 0.058 0.000 0.284 273 G HA3 0.033 4.027 3.960 0.058 0.000 0.284 273 G C 1.072 175.801 174.900 -0.286 0.000 1.362 273 G CA -0.118 44.886 45.100 -0.160 0.000 1.065 273 G HN 0.046 nan 8.290 nan 0.000 0.561 274 V N -0.295 119.350 119.914 -0.448 0.000 2.251 274 V HA 0.074 4.229 4.120 0.058 0.000 0.237 274 V C 1.407 177.329 176.094 -0.288 0.000 1.040 274 V CA 1.056 62.965 62.300 -0.652 0.000 1.005 274 V CB -0.818 30.663 31.823 -0.569 0.000 0.645 274 V HN 0.316 nan 8.190 nan 0.000 0.458 275 L N 0.038 121.187 121.223 -0.123 0.000 2.343 275 L HA 0.397 4.772 4.340 0.058 0.000 0.275 275 L C -0.677 176.280 176.870 0.145 0.000 1.056 275 L CA -0.250 54.620 54.840 0.050 0.000 0.804 275 L CB 1.789 44.003 42.059 0.259 0.000 1.203 275 L HN 0.003 nan 8.230 nan 0.000 0.440 276 V N 2.375 122.387 119.914 0.162 0.000 2.333 276 V HA 0.355 4.510 4.120 0.058 0.000 0.274 276 V C 0.769 177.077 176.094 0.357 0.000 1.028 276 V CA -0.534 61.904 62.300 0.230 0.000 0.851 276 V CB 1.026 32.959 31.823 0.183 0.000 1.000 276 V HN 0.869 nan 8.190 nan 0.000 0.456 277 G N 3.280 112.337 108.800 0.429 0.000 2.527 277 G HA2 0.465 4.460 3.960 0.058 0.000 0.248 277 G HA3 0.465 4.460 3.960 0.058 0.000 0.248 277 G C -0.201 174.881 174.900 0.303 0.000 1.231 277 G CA -0.028 45.312 45.100 0.401 0.000 0.838 277 G HN 0.805 nan 8.290 nan 0.000 0.570 278 S N 0.092 115.777 115.700 -0.024 0.000 2.596 278 S HA 0.287 4.792 4.470 0.058 0.000 0.305 278 S C -0.809 173.844 174.600 0.087 0.000 1.086 278 S CA -0.706 57.587 58.200 0.155 0.000 0.909 278 S CB 0.416 63.557 63.200 -0.098 0.000 1.106 278 S HN 0.668 nan 8.310 nan 0.000 0.450 279 W N 2.744 124.083 121.300 0.064 0.000 2.771 279 W HA 0.175 4.871 4.660 0.061 0.000 0.412 279 W C -0.144 176.373 176.519 -0.003 0.000 0.965 279 W CA -0.493 56.897 57.345 0.074 0.000 2.045 279 W CB 0.190 29.559 29.460 -0.150 0.000 1.176 279 W HN 0.781 nan 8.180 nan 0.000 0.634 280 D N -0.965 119.472 120.400 0.063 0.000 2.365 280 D HA -0.013 4.662 4.640 0.058 0.000 0.237 280 D C 0.636 176.576 176.300 -0.600 0.000 1.190 280 D CA -0.141 53.757 54.000 -0.171 0.000 0.867 280 D CB 0.325 41.002 40.800 -0.204 0.000 1.050 280 D HN -0.039 nan 8.370 nan 0.000 0.491 281 N N 2.443 121.011 118.700 -0.220 0.000 2.760 281 N HA -0.143 4.632 4.740 0.058 0.000 0.200 281 N C 0.555 175.742 175.510 -0.539 0.000 1.306 281 N CA 0.327 53.184 53.050 -0.323 0.000 0.957 281 N CB 0.098 38.591 38.487 0.010 0.000 1.041 281 N HN 0.602 nan 8.380 nan 0.000 0.448 282 I N -1.046 119.081 120.570 -0.737 0.000 2.899 282 I HA -0.036 4.169 4.170 0.058 0.000 0.257 282 I C -0.152 175.706 176.117 -0.431 0.000 1.115 282 I CA -0.014 61.026 61.300 -0.434 0.000 1.451 282 I CB 0.125 37.961 38.000 -0.275 0.000 1.251 282 I HN 0.012 nan 8.210 nan 0.000 0.456 283 Y N 0.921 121.151 120.300 -0.118 0.000 3.178 283 Y HA -0.232 4.353 4.550 0.059 0.000 0.200 283 Y C 1.578 177.522 175.900 0.074 0.000 1.427 283 Y CA -0.198 57.820 58.100 -0.137 0.000 1.250 283 Y CB -2.280 36.186 38.460 0.010 0.000 1.421 283 Y HN 0.276 nan 8.280 nan 0.000 0.506 284 A N -0.555 122.264 122.820 -0.002 0.000 1.944 284 A HA -0.262 4.092 4.320 0.058 0.000 0.222 284 A C 1.150 178.660 177.584 -0.124 0.000 1.237 284 A CA 2.675 54.620 52.037 -0.153 0.000 0.668 284 A CB -0.524 18.306 19.000 -0.283 0.000 0.830 284 A HN 0.640 nan 8.150 nan 0.000 0.471 285 Y N -1.577 118.945 120.300 0.371 0.000 2.666 285 Y HA 0.491 5.075 4.550 0.057 0.000 0.264 285 Y C 0.869 176.836 175.900 0.111 0.000 1.054 285 Y CA -0.302 57.930 58.100 0.221 0.000 1.121 285 Y CB 0.486 39.041 38.460 0.159 0.000 1.190 285 Y HN 0.470 nan 8.280 nan 0.000 0.587 286 G N -1.080 107.902 108.800 0.304 0.000 2.664 286 G HA2 0.459 4.454 3.960 0.058 0.000 0.303 286 G HA3 0.459 4.454 3.960 0.058 0.000 0.303 286 G C -1.752 173.166 174.900 0.029 0.000 1.243 286 G CA -0.645 44.481 45.100 0.042 0.000 0.826 286 G HN -0.211 nan 8.290 nan 0.000 0.498 287 V N 2.355 122.190 119.914 -0.133 0.000 2.432 287 V HA 0.356 4.511 4.120 0.058 0.000 0.275 287 V C -2.028 173.862 176.094 -0.340 0.000 1.043 287 V CA -1.093 60.952 62.300 -0.426 0.000 0.925 287 V CB 1.378 32.560 31.823 -1.068 0.000 0.985 287 V HN 0.423 nan 8.190 nan 0.000 0.466 288 P HA 0.127 nan 4.420 nan 0.000 0.264 288 P C -2.027 174.981 177.300 -0.485 0.000 1.193 288 P CA -0.978 61.830 63.100 -0.486 0.000 0.763 288 P CB 0.237 31.794 31.700 -0.238 0.000 0.810 289 P HA -0.191 nan 4.420 nan 0.000 0.218 289 P C 0.684 178.105 177.300 0.201 0.000 1.146 289 P CA 1.702 64.736 63.100 -0.110 0.000 0.820 289 P CB -0.205 31.242 31.700 -0.421 0.000 0.778 290 S N -1.791 114.005 115.700 0.160 0.000 2.603 290 S HA 0.198 4.703 4.470 0.058 0.000 0.220 290 S C 1.698 176.370 174.600 0.119 0.000 0.967 290 S CA 0.614 59.030 58.200 0.361 0.000 0.920 290 S CB -0.320 63.123 63.200 0.406 0.000 0.773 290 S HN 0.158 nan 8.310 nan 0.000 0.529 291 A N 0.739 123.463 122.820 -0.159 0.000 1.973 291 A HA 0.269 4.623 4.320 0.058 0.000 0.210 291 A C 0.322 177.641 177.584 -0.442 0.000 1.200 291 A CA -0.494 51.277 52.037 -0.443 0.000 0.707 291 A CB -0.485 18.047 19.000 -0.779 0.000 0.862 291 A HN 0.537 nan 8.150 nan 0.000 0.461 292 W N 1.213 122.395 121.300 -0.197 0.000 2.377 292 W HA 0.152 4.842 4.660 0.049 0.000 0.341 292 W C 1.241 177.570 176.519 -0.316 0.000 1.240 292 W CA 0.772 57.989 57.345 -0.213 0.000 1.311 292 W CB 0.260 29.685 29.460 -0.059 0.000 1.175 292 W HN 0.263 nan 8.180 nan 0.000 0.571 293 T N -0.039 114.396 114.554 -0.198 0.000 2.990 293 T HA 0.474 4.858 4.350 0.058 0.000 0.250 293 T C 0.622 174.764 174.700 -0.929 0.000 1.041 293 T CA 0.332 62.196 62.100 -0.393 0.000 1.010 293 T CB 0.400 69.170 68.868 -0.162 0.000 1.003 293 T HN 0.677 nan 8.240 nan 0.000 0.499 294 G N 0.216 108.349 108.800 -1.112 0.000 2.495 294 G HA2 0.439 4.434 3.960 0.058 0.000 0.294 294 G HA3 0.439 4.434 3.960 0.058 0.000 0.294 294 G C 0.083 174.626 174.900 -0.596 0.000 1.397 294 G CA -0.114 44.131 45.100 -1.425 0.000 0.790 294 G HN -0.094 nan 8.290 nan 0.000 0.486 295 S N -0.791 114.880 115.700 -0.049 0.000 2.436 295 S HA -0.038 4.466 4.470 0.058 0.000 0.228 295 S C 2.566 177.214 174.600 0.081 0.000 1.014 295 S CA 1.091 59.423 58.200 0.221 0.000 0.950 295 S CB -0.122 63.322 63.200 0.406 0.000 0.784 295 S HN 0.513 nan 8.310 nan 0.000 0.504 296 V N 4.184 124.123 119.914 0.043 0.000 2.220 296 V HA -0.322 3.833 4.120 0.058 0.000 0.250 296 V C 2.526 178.660 176.094 0.068 0.000 1.053 296 V CA 2.346 64.683 62.300 0.063 0.000 1.019 296 V CB -1.069 30.788 31.823 0.057 0.000 0.646 296 V HN 0.597 nan 8.190 nan 0.000 0.455 297 D N -0.100 120.343 120.400 0.072 0.000 2.221 297 D HA -0.176 4.499 4.640 0.058 0.000 0.204 297 D C 1.882 178.233 176.300 0.085 0.000 0.982 297 D CA 1.516 55.584 54.000 0.112 0.000 0.857 297 D CB -0.528 40.381 40.800 0.182 0.000 0.934 297 D HN 0.531 nan 8.370 nan 0.000 0.475 298 I N 0.179 120.733 120.570 -0.027 0.000 2.133 298 I HA -0.211 3.994 4.170 0.058 0.000 0.238 298 I C 2.654 178.773 176.117 0.004 0.000 1.074 298 I CA 0.736 61.924 61.300 -0.186 0.000 1.342 298 I CB -0.234 37.523 38.000 -0.406 0.000 1.053 298 I HN -0.043 nan 8.210 nan 0.000 0.404 299 L N 0.314 121.581 121.223 0.074 0.000 2.083 299 L HA -0.212 4.162 4.340 0.058 0.000 0.209 299 L C 2.470 179.447 176.870 0.178 0.000 1.083 299 L CA 1.249 56.197 54.840 0.180 0.000 0.752 299 L CB -0.386 41.788 42.059 0.192 0.000 0.899 299 L HN 0.299 nan 8.230 nan 0.000 0.433 300 L N -1.095 120.198 121.223 0.115 0.000 2.217 300 L HA -0.120 4.255 4.340 0.058 0.000 0.211 300 L C 2.580 179.493 176.870 0.071 0.000 1.107 300 L CA 0.614 55.501 54.840 0.078 0.000 0.783 300 L CB -0.442 41.658 42.059 0.068 0.000 0.919 300 L HN 0.256 nan 8.230 nan 0.000 0.442 301 E N -0.128 120.134 120.200 0.104 0.000 2.112 301 E HA -0.210 4.175 4.350 0.058 0.000 0.190 301 E C 1.991 178.681 176.600 0.149 0.000 0.979 301 E CA 0.975 57.440 56.400 0.109 0.000 0.814 301 E CB -0.052 29.726 29.700 0.131 0.000 0.762 301 E HN 0.430 nan 8.360 nan 0.000 0.460 302 Y N 1.834 122.164 120.300 0.049 0.000 2.145 302 Y HA -0.212 4.372 4.550 0.056 0.000 0.286 302 Y C 2.382 178.351 175.900 0.116 0.000 1.145 302 Y CA 2.160 60.316 58.100 0.094 0.000 1.148 302 Y CB -0.382 38.148 38.460 0.117 0.000 0.981 302 Y HN -0.068 nan 8.280 nan 0.000 0.507 303 R N 0.569 121.004 120.500 -0.108 0.000 2.083 303 R HA -0.134 4.240 4.340 0.058 0.000 0.237 303 R C 2.202 178.295 176.300 -0.346 0.000 1.137 303 R CA 2.360 58.191 56.100 -0.447 0.000 0.951 303 R CB -1.072 29.037 30.300 -0.319 0.000 0.851 303 R HN 0.386 nan 8.270 nan 0.000 0.434 304 S N -0.352 115.259 115.700 -0.148 0.000 2.387 304 S HA -0.103 4.401 4.470 0.058 0.000 0.226 304 S C 1.902 176.470 174.600 -0.052 0.000 1.026 304 S CA 1.239 59.383 58.200 -0.092 0.000 0.972 304 S CB -0.257 62.922 63.200 -0.036 0.000 0.814 304 S HN 0.643 nan 8.310 nan 0.000 0.477 305 S N 0.762 116.456 115.700 -0.010 0.000 2.458 305 S HA 0.086 4.590 4.470 0.058 0.000 0.223 305 S C 0.561 175.179 174.600 0.030 0.000 1.019 305 S CA 0.443 58.658 58.200 0.024 0.000 0.937 305 S CB -0.373 62.864 63.200 0.062 0.000 0.788 305 S HN 0.479 nan 8.310 nan 0.000 0.511 306 E N 0.646 120.850 120.200 0.007 0.000 2.971 306 E HA -0.145 4.239 4.350 0.058 0.000 0.278 306 E C -0.826 175.855 176.600 0.135 0.000 1.009 306 E CA 0.510 56.933 56.400 0.038 0.000 0.862 306 E CB -1.570 28.168 29.700 0.062 0.000 1.436 306 E HN 0.579 nan 8.360 nan 0.000 0.434 307 N N -0.403 118.417 118.700 0.199 0.000 2.455 307 N HA 0.382 5.157 4.740 0.058 0.000 0.278 307 N C -2.825 172.849 175.510 0.273 0.000 1.291 307 N CA -1.777 51.397 53.050 0.206 0.000 0.780 307 N CB 1.901 40.456 38.487 0.114 0.000 1.520 307 N HN -0.251 nan 8.380 nan 0.000 0.486 308 P HA 0.046 nan 4.420 nan 0.000 0.266 308 P C -0.405 176.937 177.300 0.068 0.000 1.195 308 P CA -0.054 63.100 63.100 0.089 0.000 0.768 308 P CB 0.638 32.366 31.700 0.046 0.000 0.838 309 V N 5.182 125.115 119.914 0.031 0.000 2.546 309 V HA 0.244 4.399 4.120 0.058 0.000 0.284 309 V C 0.749 176.839 176.094 -0.006 0.000 1.050 309 V CA -0.134 62.182 62.300 0.027 0.000 0.981 309 V CB 0.687 32.493 31.823 -0.028 0.000 0.990 309 V HN 0.458 nan 8.190 nan 0.000 0.474 310 R N 4.109 124.572 120.500 -0.062 0.000 2.338 310 R HA 0.656 5.031 4.340 0.058 0.000 0.317 310 R C -1.504 174.781 176.300 -0.025 0.000 0.968 310 R CA -0.355 55.520 56.100 -0.376 0.000 0.849 310 R CB 1.379 31.109 30.300 -0.949 0.000 1.128 310 R HN 0.627 nan 8.270 nan 0.000 0.448 311 Y N -0.332 120.143 120.300 0.291 0.000 2.665 311 Y HA 0.760 5.346 4.550 0.059 0.000 0.336 311 Y C 0.660 176.573 175.900 0.022 0.000 1.085 311 Y CA -0.881 57.281 58.100 0.104 0.000 1.096 311 Y CB 2.555 41.022 38.460 0.011 0.000 1.301 311 Y HN 0.692 nan 8.280 nan 0.000 0.493 312 G N -0.133 108.618 108.800 -0.081 0.000 2.695 312 G HA2 0.709 4.703 3.960 0.058 0.000 0.290 312 G HA3 0.709 4.703 3.960 0.058 0.000 0.290 312 G C -1.902 172.307 174.900 -1.151 0.000 1.410 312 G CA -0.750 43.990 45.100 -0.601 0.000 0.844 312 G HN 0.440 nan 8.290 nan 0.000 0.478 313 Q N -1.444 117.390 119.800 -1.610 0.000 2.693 313 Q HA 0.276 4.650 4.340 0.058 0.000 0.306 313 Q C 1.528 176.757 176.000 -1.285 0.000 0.969 313 Q CA -0.485 54.369 55.803 -1.581 0.000 0.757 313 Q CB 2.010 29.860 28.738 -1.480 0.000 1.494 313 Q HN 0.932 nan 8.270 nan 0.000 0.459 314 C N -0.259 118.879 119.300 -0.269 0.000 2.318 314 C HA -0.206 4.289 4.460 0.058 0.000 0.272 314 C C 2.170 177.110 174.990 -0.083 0.000 1.156 314 C CA 1.828 60.945 59.018 0.166 0.000 1.783 314 C CB -1.822 26.333 27.740 0.691 0.000 2.023 314 C HN 1.043 nan 8.230 nan 0.000 0.437 315 W N 2.147 123.423 121.300 -0.040 0.000 2.364 315 W HA 0.064 4.757 4.660 0.055 0.000 0.281 315 W C 1.781 178.044 176.519 -0.427 0.000 1.219 315 W CA 1.512 58.744 57.345 -0.189 0.000 1.220 315 W CB -1.205 28.160 29.460 -0.157 0.000 1.127 315 W HN 0.278 nan 8.180 nan 0.000 0.556 316 V N 1.200 120.439 119.914 -1.124 0.000 2.255 316 V HA -0.289 3.866 4.120 0.058 0.000 0.243 316 V C 2.356 178.166 176.094 -0.473 0.000 1.038 316 V CA 1.894 63.688 62.300 -0.845 0.000 1.008 316 V CB -1.329 29.981 31.823 -0.855 0.000 0.645 316 V HN 0.068 nan 8.190 nan 0.000 0.449 317 F N 1.339 121.092 119.950 -0.329 0.000 2.115 317 F HA -0.259 4.303 4.527 0.057 0.000 0.300 317 F C 2.501 178.232 175.800 -0.116 0.000 1.092 317 F CA 1.346 59.236 58.000 -0.182 0.000 1.245 317 F CB -1.547 37.384 39.000 -0.115 0.000 0.995 317 F HN 0.127 nan 8.300 nan 0.000 0.481 318 A N 0.180 123.026 122.820 0.042 0.000 1.902 318 A HA -0.027 4.327 4.320 0.058 0.000 0.217 318 A C 2.651 180.174 177.584 -0.103 0.000 1.181 318 A CA 1.778 53.828 52.037 0.021 0.000 0.623 318 A CB -1.551 17.446 19.000 -0.005 0.000 0.818 318 A HN 0.403 nan 8.150 nan 0.000 0.443 319 G N -0.431 108.103 108.800 -0.443 0.000 2.446 319 G HA2 -0.145 3.850 3.960 0.058 0.000 0.217 319 G HA3 -0.145 3.850 3.960 0.058 0.000 0.217 319 G C 1.536 176.476 174.900 0.068 0.000 1.168 319 G CA 1.391 46.117 45.100 -0.623 0.000 0.771 319 G HN 0.321 nan 8.290 nan 0.000 0.551 320 V N 0.360 120.347 119.914 0.123 0.000 2.261 320 V HA -0.122 4.032 4.120 0.058 0.000 0.246 320 V C 2.358 178.593 176.094 0.235 0.000 1.047 320 V CA 1.797 64.228 62.300 0.218 0.000 1.015 320 V CB -0.723 31.186 31.823 0.143 0.000 0.642 320 V HN 0.325 nan 8.190 nan 0.000 0.446 321 F N 1.645 121.618 119.950 0.038 0.000 2.161 321 F HA -0.219 4.343 4.527 0.057 0.000 0.300 321 F C 2.139 178.005 175.800 0.111 0.000 1.089 321 F CA 2.024 60.048 58.000 0.040 0.000 1.282 321 F CB -0.710 38.283 39.000 -0.012 0.000 1.010 321 F HN 0.210 nan 8.300 nan 0.000 0.485 322 N N -1.028 117.657 118.700 -0.024 0.000 2.142 322 N HA -0.158 4.616 4.740 0.058 0.000 0.186 322 N C 1.759 177.141 175.510 -0.213 0.000 1.023 322 N CA 1.918 54.832 53.050 -0.227 0.000 0.852 322 N CB -0.244 38.059 38.487 -0.307 0.000 0.998 322 N HN 0.208 nan 8.380 nan 0.000 0.424 323 T N -0.194 114.351 114.554 -0.015 0.000 2.708 323 T HA -0.153 4.231 4.350 0.058 0.000 0.266 323 T C 1.484 176.223 174.700 0.066 0.000 1.037 323 T CA 1.203 63.344 62.100 0.068 0.000 1.146 323 T CB -0.530 68.480 68.868 0.236 0.000 0.865 323 T HN 0.306 nan 8.240 nan 0.000 0.435 324 F N 1.695 121.625 119.950 -0.034 0.000 2.065 324 F HA -0.125 4.436 4.527 0.056 0.000 0.298 324 F C 1.925 177.667 175.800 -0.097 0.000 1.112 324 F CA 1.353 59.343 58.000 -0.016 0.000 1.212 324 F CB -0.478 38.547 39.000 0.041 0.000 0.975 324 F HN 0.063 nan 8.300 nan 0.000 0.476 325 L N 0.051 121.191 121.223 -0.138 0.000 1.976 325 L HA -0.221 4.154 4.340 0.058 0.000 0.209 325 L C 2.772 179.517 176.870 -0.207 0.000 1.071 325 L CA 1.686 56.357 54.840 -0.281 0.000 0.746 325 L CB -0.827 41.033 42.059 -0.331 0.000 0.890 325 L HN 0.053 nan 8.230 nan 0.000 0.432 326 R N -0.699 119.700 120.500 -0.168 0.000 2.103 326 R HA -0.244 4.131 4.340 0.058 0.000 0.242 326 R C 2.442 178.708 176.300 -0.058 0.000 1.142 326 R CA 1.853 57.887 56.100 -0.111 0.000 0.960 326 R CB -0.962 29.237 30.300 -0.169 0.000 0.858 326 R HN 0.501 nan 8.270 nan 0.000 0.439 327 C N 0.705 119.952 119.300 -0.088 0.000 2.422 327 C HA -0.023 4.471 4.460 0.058 0.000 0.279 327 C C 2.327 177.403 174.990 0.145 0.000 1.305 327 C CA 0.600 59.625 59.018 0.011 0.000 1.757 327 C CB -0.874 26.866 27.740 -0.000 0.000 1.962 327 C HN 0.421 nan 8.230 nan 0.000 0.499 328 L N 0.039 121.275 121.223 0.022 0.000 2.446 328 L HA 0.254 4.628 4.340 0.058 0.000 0.219 328 L C 1.975 179.016 176.870 0.286 0.000 1.116 328 L CA 1.104 56.015 54.840 0.117 0.000 0.844 328 L CB -0.461 41.603 42.059 0.008 0.000 0.970 328 L HN 0.562 nan 8.230 nan 0.000 0.457 329 G N 0.724 109.639 108.800 0.191 0.000 2.154 329 G HA2 -0.202 3.793 3.960 0.058 0.000 0.186 329 G HA3 -0.202 3.793 3.960 0.058 0.000 0.186 329 G C 0.059 175.006 174.900 0.079 0.000 1.000 329 G CA -0.567 44.678 45.100 0.241 0.000 0.664 329 G HN 0.197 nan 8.290 nan 0.000 0.513 330 I N 2.756 123.260 120.570 -0.110 0.000 2.315 330 I HA 0.282 4.487 4.170 0.058 0.000 0.291 330 I C -1.803 174.264 176.117 -0.082 0.000 1.006 330 I CA -2.430 58.743 61.300 -0.213 0.000 1.265 330 I CB 1.531 39.303 38.000 -0.380 0.000 1.387 330 I HN -0.129 nan 8.210 nan 0.000 0.475 331 P HA 0.087 nan 4.420 nan 0.000 0.263 331 P C -0.701 176.708 177.300 0.181 0.000 1.247 331 P CA 0.176 63.299 63.100 0.039 0.000 0.876 331 P CB 0.482 32.117 31.700 -0.107 0.000 0.928 332 A N 4.986 127.900 122.820 0.156 0.000 2.386 332 A HA 0.911 5.266 4.320 0.058 0.000 0.308 332 A C -0.013 177.605 177.584 0.056 0.000 1.128 332 A CA -0.779 51.344 52.037 0.142 0.000 0.789 332 A CB 1.821 20.788 19.000 -0.055 0.000 1.325 332 A HN 0.614 nan 8.150 nan 0.000 0.437 333 R N 0.379 120.841 120.500 -0.063 0.000 2.663 333 R HA 0.665 5.040 4.340 0.058 0.000 0.267 333 R C -1.794 174.442 176.300 -0.108 0.000 1.038 333 R CA -0.769 55.270 56.100 -0.102 0.000 0.886 333 R CB 0.879 31.050 30.300 -0.215 0.000 1.249 333 R HN 0.502 nan 8.270 nan 0.000 0.463 334 I N 1.975 122.522 120.570 -0.038 0.000 2.472 334 I HA 0.336 4.541 4.170 0.058 0.000 0.290 334 I C -0.363 175.684 176.117 -0.118 0.000 1.016 334 I CA -1.082 60.194 61.300 -0.041 0.000 1.348 334 I CB 1.826 39.840 38.000 0.023 0.000 1.417 334 I HN 0.290 nan 8.210 nan 0.000 0.521 335 V N 4.632 124.396 119.914 -0.250 0.000 2.656 335 V HA 0.380 4.535 4.120 0.058 0.000 0.307 335 V C -0.210 175.511 176.094 -0.621 0.000 1.051 335 V CA -0.417 61.615 62.300 -0.447 0.000 0.893 335 V CB 2.254 33.740 31.823 -0.562 0.000 0.999 335 V HN 0.735 nan 8.190 nan 0.000 0.426 336 T N 3.917 118.160 114.554 -0.520 0.000 2.786 336 T HA 0.373 4.757 4.350 0.058 0.000 0.283 336 T C -0.461 173.845 174.700 -0.656 0.000 0.992 336 T CA -0.399 61.397 62.100 -0.508 0.000 0.954 336 T CB 0.933 69.632 68.868 -0.281 0.000 0.934 336 T HN 0.651 nan 8.240 nan 0.000 0.440 337 N N 2.063 120.351 118.700 -0.686 0.000 2.408 337 N HA 0.337 5.112 4.740 0.058 0.000 0.280 337 N C -1.634 173.657 175.510 -0.365 0.000 1.002 337 N CA -0.527 52.222 53.050 -0.502 0.000 0.907 337 N CB 0.495 38.729 38.487 -0.421 0.000 1.161 337 N HN 0.414 nan 8.380 nan 0.000 0.488 338 Y N 4.019 124.275 120.300 -0.073 0.000 2.350 338 Y HA 0.389 4.973 4.550 0.058 0.000 0.340 338 Y C -0.387 175.492 175.900 -0.036 0.000 1.006 338 Y CA -0.301 57.728 58.100 -0.119 0.000 1.166 338 Y CB 0.220 38.521 38.460 -0.266 0.000 1.168 338 Y HN 0.417 nan 8.280 nan 0.000 0.502 339 F N 1.131 121.208 119.950 0.211 0.000 2.494 339 F HA -0.224 4.338 4.527 0.058 0.000 0.419 339 F C 0.197 176.072 175.800 0.125 0.000 1.145 339 F CA -0.235 57.836 58.000 0.117 0.000 1.347 339 F CB -1.566 37.349 39.000 -0.143 0.000 1.973 339 F HN 0.346 nan 8.300 nan 0.000 0.778 340 S N 1.077 116.981 115.700 0.340 0.000 2.457 340 S HA 0.783 5.288 4.470 0.058 0.000 0.289 340 S C 0.340 175.024 174.600 0.141 0.000 1.163 340 S CA 0.044 58.375 58.200 0.219 0.000 1.078 340 S CB 1.125 64.446 63.200 0.201 0.000 0.987 340 S HN 0.717 nan 8.310 nan 0.000 0.482 341 A N 4.245 127.121 122.820 0.094 0.000 3.004 341 A HA 0.311 4.666 4.320 0.058 0.000 0.286 341 A C -0.087 177.461 177.584 -0.059 0.000 1.632 341 A CA -0.199 51.867 52.037 0.049 0.000 1.339 341 A CB -0.615 18.414 19.000 0.049 0.000 1.136 341 A HN 0.929 nan 8.150 nan 0.000 0.577 342 H N 1.127 119.987 119.070 -0.351 0.000 2.547 342 H HA 0.228 4.819 4.556 0.058 0.000 0.362 342 H C 0.212 175.400 175.328 -0.234 0.000 1.181 342 H CA 0.524 56.251 56.048 -0.535 0.000 1.376 342 H CB 0.541 29.456 29.762 -1.412 0.000 1.488 342 H HN 0.704 nan 8.280 nan 0.000 0.583 343 D N 1.739 121.733 120.400 -0.677 0.000 2.689 343 D HA -0.212 4.463 4.640 0.058 0.000 0.237 343 D C 0.218 176.437 176.300 -0.136 0.000 1.148 343 D CA 0.996 54.789 54.000 -0.345 0.000 0.656 343 D CB -1.138 39.572 40.800 -0.151 0.000 1.050 343 D HN 0.771 nan 8.370 nan 0.000 0.426 344 N N 0.350 118.990 118.700 -0.101 0.000 2.446 344 N HA -0.055 4.720 4.740 0.058 0.000 0.179 344 N C 0.678 176.212 175.510 0.039 0.000 1.054 344 N CA 0.866 53.906 53.050 -0.018 0.000 0.905 344 N CB 0.149 38.627 38.487 -0.015 0.000 0.973 344 N HN 0.179 nan 8.380 nan 0.000 0.448 345 D N -0.855 119.637 120.400 0.153 0.000 2.811 345 D HA -0.273 4.402 4.640 0.058 0.000 0.231 345 D C 0.373 176.726 176.300 0.088 0.000 1.157 345 D CA 1.140 55.305 54.000 0.276 0.000 0.716 345 D CB -1.399 39.474 40.800 0.123 0.000 1.077 345 D HN 0.700 nan 8.370 nan 0.000 0.428 346 A N -1.737 121.009 122.820 -0.124 0.000 3.021 346 A HA -0.310 4.045 4.320 0.058 0.000 0.257 346 A C 0.431 177.929 177.584 -0.144 0.000 1.277 346 A CA 1.068 52.901 52.037 -0.339 0.000 1.012 346 A CB -1.728 16.904 19.000 -0.613 0.000 1.147 346 A HN 0.515 nan 8.150 nan 0.000 0.861 347 N N -0.243 118.420 118.700 -0.061 0.000 2.499 347 N HA 0.538 5.313 4.740 0.058 0.000 0.281 347 N C 0.699 176.200 175.510 -0.015 0.000 1.098 347 N CA -0.165 52.863 53.050 -0.036 0.000 0.979 347 N CB 0.991 39.465 38.487 -0.022 0.000 1.121 347 N HN 0.411 nan 8.380 nan 0.000 0.466 348 L N 1.391 122.613 121.223 -0.003 0.000 2.728 348 L HA 0.205 4.580 4.340 0.058 0.000 0.235 348 L C 0.038 176.909 176.870 0.002 0.000 1.197 348 L CA 0.298 55.153 54.840 0.025 0.000 0.992 348 L CB -0.126 41.969 42.059 0.060 0.000 1.263 348 L HN 0.311 nan 8.230 nan 0.000 0.484 349 Q N 0.712 120.500 119.800 -0.019 0.000 2.305 349 Q HA 0.507 4.882 4.340 0.058 0.000 0.271 349 Q C -0.931 175.031 176.000 -0.064 0.000 1.046 349 Q CA -0.490 55.285 55.803 -0.046 0.000 0.798 349 Q CB 3.187 31.892 28.738 -0.054 0.000 1.286 349 Q HN 0.047 nan 8.270 nan 0.000 0.435 350 M N 2.095 121.638 119.600 -0.096 0.000 2.149 350 M HA 0.360 4.875 4.480 0.058 0.000 0.342 350 M C -1.103 175.060 176.300 -0.228 0.000 1.068 350 M CA -0.537 54.693 55.300 -0.117 0.000 0.991 350 M CB 1.323 33.871 32.600 -0.086 0.000 1.596 350 M HN 0.518 nan 8.290 nan 0.000 0.439 351 D N 4.137 124.378 120.400 -0.266 0.000 2.249 351 D HA 0.416 5.091 4.640 0.058 0.000 0.246 351 D C -0.247 175.676 176.300 -0.628 0.000 1.114 351 D CA -0.092 53.596 54.000 -0.520 0.000 0.854 351 D CB 1.817 42.265 40.800 -0.587 0.000 1.132 351 D HN 0.335 nan 8.370 nan 0.000 0.461 352 I N 2.844 122.988 120.570 -0.710 0.000 2.355 352 I HA 0.219 4.424 4.170 0.058 0.000 0.288 352 I C -0.379 175.419 176.117 -0.532 0.000 0.999 352 I CA -0.655 60.363 61.300 -0.470 0.000 1.163 352 I CB 0.562 38.358 38.000 -0.340 0.000 1.316 352 I HN 0.104 nan 8.210 nan 0.000 0.454 353 F N 6.415 126.344 119.950 -0.036 0.000 2.368 353 F HA 0.314 4.876 4.527 0.058 0.000 0.362 353 F C 0.250 176.029 175.800 -0.034 0.000 1.137 353 F CA -0.570 57.417 58.000 -0.022 0.000 1.161 353 F CB 0.504 39.489 39.000 -0.025 0.000 1.265 353 F HN 0.179 nan 8.300 nan 0.000 0.530 354 L N 2.785 124.098 121.223 0.151 0.000 2.395 354 L HA 0.276 4.650 4.340 0.058 0.000 0.269 354 L C 0.584 177.495 176.870 0.068 0.000 1.133 354 L CA -0.521 54.357 54.840 0.063 0.000 0.812 354 L CB 0.419 42.517 42.059 0.066 0.000 1.125 354 L HN 0.518 nan 8.230 nan 0.000 0.452 355 E N 0.980 121.174 120.200 -0.010 0.000 2.280 355 E HA 0.161 4.545 4.350 0.058 0.000 0.261 355 E C 0.598 177.188 176.600 -0.016 0.000 1.088 355 E CA -0.565 55.824 56.400 -0.019 0.000 0.915 355 E CB 0.905 30.563 29.700 -0.071 0.000 1.141 355 E HN 0.534 nan 8.360 nan 0.000 0.433 356 E N 0.881 121.075 120.200 -0.010 0.000 2.097 356 E HA -0.268 4.117 4.350 0.058 0.000 0.196 356 E C 1.196 177.799 176.600 0.005 0.000 1.000 356 E CA 1.964 58.365 56.400 0.002 0.000 0.804 356 E CB -0.100 29.600 29.700 -0.001 0.000 0.740 356 E HN 0.497 nan 8.360 nan 0.000 0.454 357 D N -1.454 118.936 120.400 -0.017 0.000 2.347 357 D HA 0.010 4.684 4.640 0.058 0.000 0.215 357 D C 1.277 177.599 176.300 0.037 0.000 0.976 357 D CA 0.921 54.934 54.000 0.021 0.000 0.884 357 D CB 0.333 41.148 40.800 0.024 0.000 0.915 357 D HN 0.275 nan 8.370 nan 0.000 0.526 358 G N -0.834 107.927 108.800 -0.066 0.000 2.205 358 G HA2 -0.220 3.774 3.960 0.058 0.000 0.180 358 G HA3 -0.220 3.774 3.960 0.058 0.000 0.180 358 G C -0.152 174.605 174.900 -0.238 0.000 1.004 358 G CA -0.441 44.633 45.100 -0.042 0.000 0.670 358 G HN 0.269 nan 8.290 nan 0.000 0.496 359 N N 0.739 119.160 118.700 -0.465 0.000 2.529 359 N HA 0.392 5.167 4.740 0.058 0.000 0.278 359 N C 0.735 176.100 175.510 -0.241 0.000 1.146 359 N CA -0.097 52.683 53.050 -0.451 0.000 0.980 359 N CB 1.853 40.044 38.487 -0.492 0.000 1.124 359 N HN 0.058 nan 8.380 nan 0.000 0.458 360 V N 2.688 122.454 119.914 -0.246 0.000 2.694 360 V HA -0.095 4.060 4.120 0.058 0.000 0.306 360 V C 0.870 176.865 176.094 -0.165 0.000 1.054 360 V CA 0.019 62.155 62.300 -0.274 0.000 1.161 360 V CB 0.237 31.738 31.823 -0.537 0.000 0.916 360 V HN 0.597 nan 8.190 nan 0.000 0.490 361 N N 3.209 121.860 118.700 -0.081 0.000 2.414 361 N HA 0.116 4.890 4.740 0.058 0.000 0.256 361 N C 0.978 176.481 175.510 -0.012 0.000 1.029 361 N CA 0.298 53.334 53.050 -0.024 0.000 0.948 361 N CB 1.722 40.238 38.487 0.048 0.000 1.102 361 N HN 0.714 nan 8.380 nan 0.000 0.496 362 S N 3.190 118.875 115.700 -0.024 0.000 2.446 362 S HA -0.049 4.456 4.470 0.058 0.000 0.225 362 S C 1.599 176.207 174.600 0.014 0.000 1.016 362 S CA 0.387 58.584 58.200 -0.005 0.000 0.943 362 S CB 0.077 63.272 63.200 -0.008 0.000 0.786 362 S HN 0.546 nan 8.310 nan 0.000 0.508 363 K N 0.855 121.258 120.400 0.005 0.000 2.097 363 K HA 0.176 4.530 4.320 0.058 0.000 0.205 363 K C 1.583 178.188 176.600 0.008 0.000 1.050 363 K CA 0.958 57.245 56.287 -0.000 0.000 0.938 363 K CB -0.336 32.154 32.500 -0.018 0.000 0.718 363 K HN 0.276 nan 8.250 nan 0.000 0.442 364 L N -0.104 121.136 121.223 0.028 0.000 2.316 364 L HA 0.147 4.522 4.340 0.058 0.000 0.207 364 L C 0.284 177.298 176.870 0.240 0.000 1.070 364 L CA 0.990 55.858 54.840 0.048 0.000 0.820 364 L CB -0.562 41.431 42.059 -0.111 0.000 0.992 364 L HN -0.092 nan 8.230 nan 0.000 0.466 365 T N 2.019 116.720 114.554 0.246 0.000 2.840 365 T HA 0.074 4.458 4.350 0.058 0.000 0.276 365 T C 1.072 175.837 174.700 0.107 0.000 0.912 365 T CA 0.024 62.237 62.100 0.188 0.000 1.116 365 T CB 0.131 69.044 68.868 0.074 0.000 0.895 365 T HN 0.033 nan 8.240 nan 0.000 0.570 366 K N 1.560 122.023 120.400 0.105 0.000 2.402 366 K HA 0.209 4.563 4.320 0.058 0.000 0.204 366 K C -0.284 176.345 176.600 0.048 0.000 1.056 366 K CA -0.143 56.182 56.287 0.063 0.000 1.069 366 K CB 0.898 33.429 32.500 0.052 0.000 0.888 366 K HN 0.440 nan 8.250 nan 0.000 0.546 367 D N 1.210 121.642 120.400 0.052 0.000 2.248 367 D HA 0.288 4.963 4.640 0.058 0.000 0.246 367 D C -0.200 176.143 176.300 0.072 0.000 1.027 367 D CA -0.115 53.916 54.000 0.052 0.000 0.853 367 D CB 1.978 42.798 40.800 0.034 0.000 1.243 367 D HN -0.046 nan 8.370 nan 0.000 0.462 368 S N -0.900 114.864 115.700 0.107 0.000 2.599 368 S HA 0.666 5.171 4.470 0.058 0.000 0.287 368 S C -0.206 174.548 174.600 0.256 0.000 1.105 368 S CA -0.970 57.319 58.200 0.148 0.000 0.899 368 S CB 1.592 64.854 63.200 0.103 0.000 1.100 368 S HN 0.281 nan 8.310 nan 0.000 0.482 369 V N -0.879 119.209 119.914 0.290 0.000 2.465 369 V HA 0.584 4.738 4.120 0.058 0.000 0.279 369 V C -0.935 175.469 176.094 0.517 0.000 1.045 369 V CA -0.834 61.700 62.300 0.390 0.000 0.938 369 V CB -0.309 31.741 31.823 0.378 0.000 0.986 369 V HN 0.869 nan 8.190 nan 0.000 0.467 370 W N 3.880 125.288 121.300 0.179 0.000 2.238 370 W HA 0.449 5.143 4.660 0.057 0.000 0.321 370 W C 1.420 178.099 176.519 0.267 0.000 1.293 370 W CA -0.507 56.910 57.345 0.121 0.000 1.204 370 W CB -0.182 29.273 29.460 -0.009 0.000 1.167 370 W HN 0.621 nan 8.180 nan 0.000 0.553 371 N N 1.304 120.286 118.700 0.471 0.000 2.094 371 N HA -0.188 4.587 4.740 0.058 0.000 0.191 371 N C -0.183 175.599 175.510 0.454 0.000 1.023 371 N CA 1.564 54.884 53.050 0.449 0.000 0.857 371 N CB -0.301 38.480 38.487 0.490 0.000 1.013 371 N HN 0.537 nan 8.380 nan 0.000 0.426 372 Y N -2.924 117.623 120.300 0.411 0.000 2.624 372 Y HA 0.620 5.204 4.550 0.057 0.000 0.334 372 Y C -1.258 174.951 175.900 0.515 0.000 1.155 372 Y CA -1.395 56.831 58.100 0.210 0.000 1.046 372 Y CB 0.837 39.274 38.460 -0.038 0.000 1.316 372 Y HN -0.040 nan 8.280 nan 0.000 0.457 373 H N 0.857 120.032 119.070 0.175 0.000 2.954 373 H HA 0.717 5.308 4.556 0.058 0.000 0.361 373 H C -1.852 173.534 175.328 0.095 0.000 1.122 373 H CA -1.388 54.788 56.048 0.213 0.000 1.217 373 H CB 1.815 31.632 29.762 0.091 0.000 1.776 373 H HN 1.092 nan 8.280 nan 0.000 0.533 374 C N 5.428 124.608 119.300 -0.201 0.000 2.303 374 C HA 0.601 5.096 4.460 0.058 0.000 0.326 374 C C -0.605 174.226 174.990 -0.265 0.000 1.285 374 C CA -0.697 58.171 59.018 -0.250 0.000 1.675 374 C CB -1.769 26.003 27.740 0.052 0.000 2.289 374 C HN 0.799 nan 8.230 nan 0.000 0.512 375 W N 2.572 123.735 121.300 -0.228 0.000 3.055 375 W HA 0.761 5.455 4.660 0.057 0.000 0.340 375 W C -1.066 175.443 176.519 -0.018 0.000 1.180 375 W CA -1.021 56.253 57.345 -0.118 0.000 1.077 375 W CB 0.130 29.528 29.460 -0.103 0.000 1.479 375 W HN 0.470 nan 8.180 nan 0.000 0.593 376 N N 0.270 119.241 118.700 0.452 0.000 2.432 376 N HA 0.492 5.267 4.740 0.058 0.000 0.292 376 N C -1.380 174.341 175.510 0.351 0.000 1.193 376 N CA -0.989 52.241 53.050 0.300 0.000 0.878 376 N CB 1.818 40.503 38.487 0.329 0.000 1.252 376 N HN 0.449 nan 8.380 nan 0.000 0.520 377 E N -0.022 120.280 120.200 0.170 0.000 2.266 377 E HA 0.733 5.118 4.350 0.058 0.000 0.268 377 E C -1.271 175.515 176.600 0.310 0.000 0.879 377 E CA -1.090 55.428 56.400 0.196 0.000 0.762 377 E CB 2.190 31.829 29.700 -0.101 0.000 1.199 377 E HN 0.567 nan 8.360 nan 0.000 0.422 378 A N 2.586 125.677 122.820 0.451 0.000 2.401 378 A HA 0.501 4.855 4.320 0.058 0.000 0.310 378 A C -1.672 176.136 177.584 0.373 0.000 1.075 378 A CA -0.684 51.577 52.037 0.374 0.000 0.746 378 A CB 1.285 20.381 19.000 0.160 0.000 1.277 378 A HN 0.686 nan 8.150 nan 0.000 0.425 379 W N 4.547 125.759 121.300 -0.147 0.000 2.391 379 W HA 0.631 5.326 4.660 0.057 0.000 0.311 379 W C -0.943 175.399 176.519 -0.295 0.000 1.087 379 W CA -0.326 56.716 57.345 -0.505 0.000 1.209 379 W CB 1.390 30.247 29.460 -1.006 0.000 1.273 379 W HN 0.941 nan 8.180 nan 0.000 0.482 380 M N 3.594 122.740 119.600 -0.756 0.000 3.147 380 M HA 0.392 4.907 4.480 0.058 0.000 0.276 380 M C -1.220 174.777 176.300 -0.504 0.000 1.211 380 M CA -0.681 54.341 55.300 -0.463 0.000 0.820 380 M CB 1.730 34.202 32.600 -0.213 0.000 1.621 380 M HN 0.189 nan 8.290 nan 0.000 0.507 381 T N -0.577 113.817 114.554 -0.266 0.000 2.943 381 T HA 0.714 5.099 4.350 0.058 0.000 0.284 381 T C -0.366 174.258 174.700 -0.127 0.000 1.015 381 T CA -0.936 61.037 62.100 -0.211 0.000 1.042 381 T CB 1.469 70.266 68.868 -0.119 0.000 1.055 381 T HN 0.684 nan 8.240 nan 0.000 0.500 382 R N 2.420 122.856 120.500 -0.106 0.000 2.505 382 R HA 0.278 4.652 4.340 0.058 0.000 0.284 382 R C -2.150 174.116 176.300 -0.056 0.000 1.324 382 R CA -2.060 54.006 56.100 -0.058 0.000 1.432 382 R CB 1.016 31.288 30.300 -0.047 0.000 1.107 382 R HN 0.613 nan 8.270 nan 0.000 0.587 383 P HA -0.052 nan 4.420 nan 0.000 0.242 383 P C 0.106 177.387 177.300 -0.033 0.000 1.197 383 P CA 0.651 63.731 63.100 -0.034 0.000 0.765 383 P CB 0.399 32.092 31.700 -0.013 0.000 0.936 384 D N -1.029 119.351 120.400 -0.034 0.000 2.349 384 D HA 0.067 4.742 4.640 0.058 0.000 0.214 384 D C 0.657 176.905 176.300 -0.086 0.000 1.063 384 D CA 0.053 54.027 54.000 -0.043 0.000 0.847 384 D CB 0.050 40.836 40.800 -0.024 0.000 0.933 384 D HN 0.217 nan 8.370 nan 0.000 0.513 385 L N -0.462 120.691 121.223 -0.116 0.000 2.230 385 L HA 0.512 4.887 4.340 0.058 0.000 0.255 385 L C -2.345 174.420 176.870 -0.176 0.000 1.039 385 L CA -2.311 52.400 54.840 -0.216 0.000 0.846 385 L CB 1.514 43.408 42.059 -0.274 0.000 1.419 385 L HN -0.330 nan 8.230 nan 0.000 0.435 386 P HA 0.060 nan 4.420 nan 0.000 0.274 386 P C -0.870 176.282 177.300 -0.247 0.000 1.256 386 P CA -0.376 62.612 63.100 -0.188 0.000 0.795 386 P CB 0.664 32.255 31.700 -0.181 0.000 1.038 387 V N 0.583 120.337 119.914 -0.267 0.000 2.655 387 V HA 0.413 4.568 4.120 0.058 0.000 0.300 387 V C 1.097 176.891 176.094 -0.499 0.000 1.044 387 V CA 1.556 63.679 62.300 -0.294 0.000 1.095 387 V CB -0.361 31.342 31.823 -0.200 0.000 0.952 387 V HN 0.925 nan 8.190 nan 0.000 0.485 388 G N 4.938 113.465 108.800 -0.455 0.000 2.231 388 G HA2 -0.220 3.775 3.960 0.058 0.000 0.206 388 G HA3 -0.220 3.775 3.960 0.058 0.000 0.206 388 G C 0.080 174.650 174.900 -0.551 0.000 0.996 388 G CA 0.281 45.055 45.100 -0.545 0.000 0.645 388 G HN 0.826 nan 8.290 nan 0.000 0.498 389 F N 2.580 122.409 119.950 -0.202 0.000 2.660 389 F HA 0.514 5.075 4.527 0.057 0.000 0.302 389 F C 1.814 177.496 175.800 -0.196 0.000 1.103 389 F CA -0.454 57.431 58.000 -0.191 0.000 1.340 389 F CB 0.197 39.038 39.000 -0.265 0.000 1.048 389 F HN 0.325 nan 8.300 nan 0.000 0.551 390 G N -0.595 108.133 108.800 -0.120 0.000 2.562 390 G HA2 0.515 4.509 3.960 0.058 0.000 0.275 390 G HA3 0.515 4.509 3.960 0.058 0.000 0.275 390 G C 0.469 175.121 174.900 -0.414 0.000 1.196 390 G CA 0.257 45.211 45.100 -0.242 0.000 0.908 390 G HN 0.589 nan 8.290 nan 0.000 0.524 391 G N -1.148 107.180 108.800 -0.786 0.000 2.460 391 G HA2 -0.146 3.848 3.960 0.058 0.000 0.207 391 G HA3 -0.146 3.848 3.960 0.058 0.000 0.207 391 G C -0.385 173.889 174.900 -1.043 0.000 1.170 391 G CA -0.405 43.799 45.100 -1.494 0.000 1.151 391 G HN 0.760 nan 8.290 nan 0.000 0.575 392 W N 2.217 123.248 121.300 -0.448 0.000 2.251 392 W HA 0.551 5.245 4.660 0.056 0.000 0.327 392 W C 0.546 177.006 176.519 -0.099 0.000 1.361 392 W CA -0.167 57.131 57.345 -0.078 0.000 1.234 392 W CB 0.713 30.223 29.460 0.083 0.000 1.212 392 W HN 0.355 nan 8.180 nan 0.000 0.557 393 Q N 2.359 122.327 119.800 0.279 0.000 2.365 393 Q HA 0.571 4.945 4.340 0.058 0.000 0.269 393 Q C -0.601 175.533 176.000 0.223 0.000 1.061 393 Q CA -0.875 55.029 55.803 0.168 0.000 0.816 393 Q CB 1.990 30.794 28.738 0.110 0.000 1.325 393 Q HN 0.528 nan 8.270 nan 0.000 0.446 394 A N 1.982 124.905 122.820 0.172 0.000 2.260 394 A HA 0.643 4.998 4.320 0.058 0.000 0.308 394 A C -0.482 177.161 177.584 0.100 0.000 1.254 394 A CA -0.461 51.687 52.037 0.185 0.000 0.874 394 A CB 0.475 19.550 19.000 0.124 0.000 1.153 394 A HN 0.383 nan 8.150 nan 0.000 0.527 395 V N 2.905 122.914 119.914 0.158 0.000 2.525 395 V HA 0.351 4.506 4.120 0.058 0.000 0.299 395 V C -0.957 175.197 176.094 0.099 0.000 1.034 395 V CA -0.736 61.627 62.300 0.105 0.000 0.863 395 V CB 1.868 33.819 31.823 0.213 0.000 0.999 395 V HN 0.878 nan 8.190 nan 0.000 0.423 396 D N 2.895 123.284 120.400 -0.018 0.000 2.460 396 D HA 0.249 4.924 4.640 0.058 0.000 0.232 396 D C 1.164 177.456 176.300 -0.012 0.000 1.079 396 D CA -0.180 53.849 54.000 0.047 0.000 0.864 396 D CB 1.872 42.668 40.800 -0.007 0.000 1.048 396 D HN 0.572 nan 8.370 nan 0.000 0.523 397 S N 1.337 117.001 115.700 -0.060 0.000 2.547 397 S HA -0.048 4.457 4.470 0.058 0.000 0.235 397 S C 0.892 175.401 174.600 -0.152 0.000 0.980 397 S CA 0.043 58.113 58.200 -0.216 0.000 0.941 397 S CB -0.325 62.660 63.200 -0.359 0.000 0.763 397 S HN 0.416 nan 8.310 nan 0.000 0.532 398 T N 5.239 119.856 114.554 0.106 0.000 2.723 398 T HA 0.328 4.712 4.350 0.058 0.000 0.297 398 T C -2.359 172.432 174.700 0.152 0.000 0.925 398 T CA -1.484 60.751 62.100 0.225 0.000 1.030 398 T CB 0.824 69.972 68.868 0.467 0.000 0.905 398 T HN 0.216 nan 8.240 nan 0.000 0.502 399 P HA 0.077 nan 4.420 nan 0.000 0.269 399 P C -0.628 176.678 177.300 0.009 0.000 1.217 399 P CA -0.173 62.916 63.100 -0.018 0.000 0.783 399 P CB 0.617 32.254 31.700 -0.105 0.000 0.898 400 Q N -1.134 118.584 119.800 -0.137 0.000 2.721 400 Q HA 0.276 4.651 4.340 0.058 0.000 0.282 400 Q C -1.312 174.509 176.000 -0.299 0.000 0.932 400 Q CA -0.964 54.694 55.803 -0.242 0.000 0.816 400 Q CB 0.770 29.230 28.738 -0.463 0.000 1.506 400 Q HN 0.250 nan 8.270 nan 0.000 0.399 401 E N 2.229 122.258 120.200 -0.285 0.000 2.351 401 E HA 0.145 4.529 4.350 0.058 0.000 0.266 401 E C -0.639 175.599 176.600 -0.603 0.000 1.031 401 E CA 0.424 56.645 56.400 -0.299 0.000 0.911 401 E CB 0.591 30.193 29.700 -0.163 0.000 0.986 401 E HN 0.650 nan 8.360 nan 0.000 0.446 402 N N -0.502 117.768 118.700 -0.717 0.000 3.283 402 N HA 0.124 4.898 4.740 0.058 0.000 0.338 402 N C 0.613 175.884 175.510 -0.398 0.000 1.517 402 N CA -0.435 51.785 53.050 -1.382 0.000 0.733 402 N CB -0.119 37.661 38.487 -1.178 0.000 1.797 402 N HN 0.086 nan 8.380 nan 0.000 0.637 403 S N -1.046 114.586 115.700 -0.113 0.000 2.383 403 S HA -0.171 4.333 4.470 0.058 0.000 0.229 403 S C 0.658 175.263 174.600 0.009 0.000 1.030 403 S CA 1.678 59.904 58.200 0.043 0.000 1.002 403 S CB -0.694 62.568 63.200 0.103 0.000 0.829 403 S HN 0.641 nan 8.310 nan 0.000 0.467 404 D N 1.220 121.617 120.400 -0.004 0.000 2.234 404 D HA 0.342 5.016 4.640 0.058 0.000 0.205 404 D C 0.911 177.305 176.300 0.157 0.000 0.962 404 D CA 1.090 55.115 54.000 0.042 0.000 0.855 404 D CB -0.112 40.644 40.800 -0.073 0.000 0.951 404 D HN 0.598 nan 8.370 nan 0.000 0.500 405 G N 1.070 109.930 108.800 0.099 0.000 2.788 405 G HA2 -0.031 3.963 3.960 0.058 0.000 0.301 405 G HA3 -0.031 3.963 3.960 0.058 0.000 0.301 405 G C -0.080 174.740 174.900 -0.133 0.000 1.000 405 G CA -0.381 44.724 45.100 0.008 0.000 1.267 405 G HN 0.189 nan 8.290 nan 0.000 0.578 406 M N -0.425 119.050 119.600 -0.208 0.000 3.506 406 M HA -0.089 4.426 4.480 0.058 0.000 0.168 406 M C -1.044 174.922 176.300 -0.557 0.000 1.393 406 M CA 0.486 55.583 55.300 -0.338 0.000 0.921 406 M CB -1.871 30.530 32.600 -0.332 0.000 1.302 406 M HN 1.288 nan 8.290 nan 0.000 0.567 407 Y N -0.114 120.077 120.300 -0.183 0.000 2.896 407 Y HA 0.786 5.371 4.550 0.057 0.000 0.317 407 Y C 0.269 176.062 175.900 -0.179 0.000 1.444 407 Y CA -0.739 57.258 58.100 -0.171 0.000 1.084 407 Y CB 0.858 39.215 38.460 -0.170 0.000 1.382 407 Y HN 0.540 nan 8.280 nan 0.000 0.471 408 R N 0.071 120.594 120.500 0.039 0.000 2.679 408 R HA 0.590 4.965 4.340 0.058 0.000 0.269 408 R C -1.389 174.865 176.300 -0.077 0.000 1.076 408 R CA -0.290 55.763 56.100 -0.078 0.000 1.160 408 R CB -0.137 30.057 30.300 -0.176 0.000 1.054 408 R HN 0.456 nan 8.270 nan 0.000 0.507 409 C N 1.816 121.066 119.300 -0.084 0.000 2.319 409 C HA 0.944 5.439 4.460 0.058 0.000 0.323 409 C C 0.448 175.407 174.990 -0.053 0.000 1.277 409 C CA 0.610 59.588 59.018 -0.067 0.000 1.517 409 C CB 0.306 28.009 27.740 -0.060 0.000 2.206 409 C HN 1.106 nan 8.230 nan 0.000 0.486 410 G N 4.648 113.438 108.800 -0.016 0.000 2.343 410 G HA2 0.102 4.096 3.960 0.058 0.000 0.465 410 G HA3 0.102 4.096 3.960 0.058 0.000 0.465 410 G C -3.371 171.489 174.900 -0.067 0.000 1.282 410 G CA -0.918 44.198 45.100 0.027 0.000 0.996 410 G HN 0.422 nan 8.290 nan 0.000 0.521 411 P HA 0.468 nan 4.420 nan 0.000 0.270 411 P C -0.185 177.237 177.300 0.203 0.000 1.242 411 P CA 0.690 63.857 63.100 0.112 0.000 0.768 411 P CB 1.002 32.767 31.700 0.109 0.000 0.820 412 A N 3.441 126.340 122.820 0.131 0.000 2.288 412 A HA 0.383 4.737 4.320 0.058 0.000 0.320 412 A C 0.555 178.184 177.584 0.075 0.000 1.217 412 A CA -0.666 51.438 52.037 0.111 0.000 0.840 412 A CB 0.539 19.589 19.000 0.083 0.000 1.179 412 A HN 0.481 nan 8.150 nan 0.000 0.504 413 S N 2.576 118.306 115.700 0.049 0.000 2.571 413 S HA 0.073 4.578 4.470 0.058 0.000 0.297 413 S C 1.308 175.922 174.600 0.023 0.000 1.234 413 S CA -0.209 58.011 58.200 0.033 0.000 1.120 413 S CB -0.176 63.027 63.200 0.005 0.000 0.923 413 S HN 0.741 nan 8.310 nan 0.000 0.504 414 V N 5.712 125.617 119.914 -0.015 0.000 2.469 414 V HA -0.132 4.022 4.120 0.058 0.000 0.251 414 V C 2.764 178.803 176.094 -0.093 0.000 1.064 414 V CA 1.725 63.913 62.300 -0.185 0.000 1.066 414 V CB -0.669 30.933 31.823 -0.368 0.000 0.667 414 V HN 0.794 nan 8.190 nan 0.000 0.461 415 Q N -0.272 119.565 119.800 0.060 0.000 2.084 415 Q HA -0.135 4.240 4.340 0.058 0.000 0.202 415 Q C 2.409 178.648 176.000 0.398 0.000 0.978 415 Q CA 1.965 57.898 55.803 0.216 0.000 0.844 415 Q CB -0.420 28.488 28.738 0.284 0.000 0.898 415 Q HN 0.653 nan 8.270 nan 0.000 0.426 416 A N 0.777 123.765 122.820 0.279 0.000 1.898 416 A HA -0.133 4.222 4.320 0.058 0.000 0.216 416 A C 1.995 179.744 177.584 0.275 0.000 1.181 416 A CA 0.974 53.133 52.037 0.204 0.000 0.620 416 A CB -0.461 18.411 19.000 -0.213 0.000 0.819 416 A HN 0.298 nan 8.150 nan 0.000 0.442 417 I N 0.333 121.013 120.570 0.183 0.000 2.151 417 I HA -0.270 3.934 4.170 0.058 0.000 0.243 417 I C 2.339 178.609 176.117 0.255 0.000 1.080 417 I CA 2.057 63.514 61.300 0.263 0.000 1.339 417 I CB -1.267 36.829 38.000 0.159 0.000 1.039 417 I HN 0.435 nan 8.210 nan 0.000 0.409 418 K N 0.177 120.616 120.400 0.066 0.000 2.152 418 K HA -0.211 4.144 4.320 0.058 0.000 0.206 418 K C 1.669 178.209 176.600 -0.100 0.000 1.048 418 K CA 1.652 57.841 56.287 -0.163 0.000 0.933 418 K CB -0.079 32.164 32.500 -0.428 0.000 0.721 418 K HN 0.456 nan 8.250 nan 0.000 0.447 419 H N -2.127 117.125 119.070 0.304 0.000 2.586 419 H HA 0.226 4.816 4.556 0.058 0.000 0.273 419 H C 0.783 176.236 175.328 0.209 0.000 0.997 419 H CA 0.495 56.777 56.048 0.391 0.000 1.177 419 H CB 1.274 31.363 29.762 0.545 0.000 1.471 419 H HN 0.450 nan 8.280 nan 0.000 0.538 420 G N 0.742 109.731 108.800 0.314 0.000 2.143 420 G HA2 -0.309 3.686 3.960 0.058 0.000 0.249 420 G HA3 -0.309 3.686 3.960 0.058 0.000 0.249 420 G C -0.017 174.769 174.900 -0.190 0.000 0.981 420 G CA -0.115 44.993 45.100 0.014 0.000 0.665 420 G HN 0.533 nan 8.290 nan 0.000 0.528 421 H N 0.888 120.004 119.070 0.078 0.000 3.268 421 H HA 0.250 4.841 4.556 0.058 0.000 0.213 421 H C 1.980 177.178 175.328 -0.217 0.000 1.858 421 H CA 0.769 56.777 56.048 -0.066 0.000 1.386 421 H CB -0.086 29.704 29.762 0.047 0.000 1.734 421 H HN 0.548 nan 8.280 nan 0.000 0.612 422 V N -1.088 118.709 119.914 -0.195 0.000 3.541 422 V HA -0.130 4.025 4.120 0.058 0.000 0.272 422 V C 2.009 177.940 176.094 -0.272 0.000 1.215 422 V CA 0.604 62.776 62.300 -0.214 0.000 1.176 422 V CB -1.626 30.016 31.823 -0.301 0.000 0.854 422 V HN 0.592 nan 8.190 nan 0.000 0.496 423 C N -1.501 117.490 119.300 -0.516 0.000 2.464 423 C HA 0.316 4.810 4.460 0.058 0.000 0.278 423 C C 1.095 175.723 174.990 -0.603 0.000 1.375 423 C CA -0.766 57.847 59.018 -0.676 0.000 1.761 423 C CB -1.702 25.328 27.740 -1.182 0.000 1.944 423 C HN 0.407 nan 8.230 nan 0.000 0.509 424 F N 3.023 122.806 119.950 -0.278 0.000 2.384 424 F HA 0.397 4.958 4.527 0.058 0.000 0.338 424 F C 0.965 176.603 175.800 -0.269 0.000 1.103 424 F CA -0.715 57.111 58.000 -0.291 0.000 1.157 424 F CB 0.388 39.169 39.000 -0.365 0.000 1.167 424 F HN 0.306 nan 8.300 nan 0.000 0.529 425 Q N 1.297 120.989 119.800 -0.179 0.000 2.492 425 Q HA 0.375 4.750 4.340 0.058 0.000 0.238 425 Q C -1.497 174.358 176.000 -0.242 0.000 1.045 425 Q CA -0.117 55.451 55.803 -0.392 0.000 0.934 425 Q CB 0.427 28.535 28.738 -1.050 0.000 1.276 425 Q HN 0.467 nan 8.270 nan 0.000 0.521 426 F N 0.265 120.223 119.950 0.013 0.000 2.469 426 F HA 0.206 4.769 4.527 0.059 0.000 0.332 426 F C 0.020 175.837 175.800 0.028 0.000 1.103 426 F CA -0.842 57.165 58.000 0.011 0.000 0.979 426 F CB 1.480 40.475 39.000 -0.007 0.000 1.137 426 F HN 0.644 nan 8.300 nan 0.000 0.463 427 D N 1.055 121.597 120.400 0.238 0.000 2.792 427 D HA -0.275 4.399 4.640 0.058 0.000 0.231 427 D C 1.399 177.847 176.300 0.247 0.000 1.160 427 D CA 0.863 55.026 54.000 0.270 0.000 0.697 427 D CB -1.012 39.894 40.800 0.176 0.000 1.070 427 D HN 0.668 nan 8.370 nan 0.000 0.426 428 A N -0.175 122.723 122.820 0.130 0.000 1.972 428 A HA -0.086 4.268 4.320 0.058 0.000 0.219 428 A C -0.095 177.505 177.584 0.026 0.000 1.169 428 A CA 1.348 53.428 52.037 0.071 0.000 0.635 428 A CB -0.826 18.188 19.000 0.022 0.000 0.810 428 A HN 0.297 nan 8.150 nan 0.000 0.446 429 P HA -0.051 nan 4.420 nan 0.000 0.223 429 P C 0.741 177.829 177.300 -0.354 0.000 1.151 429 P CA 0.769 63.680 63.100 -0.316 0.000 0.787 429 P CB -0.118 31.263 31.700 -0.532 0.000 0.788 430 F N -0.890 119.055 119.950 -0.009 0.000 2.335 430 F HA -0.047 4.515 4.527 0.058 0.000 0.296 430 F C 2.233 177.996 175.800 -0.062 0.000 1.091 430 F CA 0.719 58.692 58.000 -0.045 0.000 1.399 430 F CB -1.263 37.685 39.000 -0.088 0.000 1.067 430 F HN -0.211 nan 8.300 nan 0.000 0.520 431 V N -1.944 118.022 119.914 0.087 0.000 2.788 431 V HA -0.142 4.012 4.120 0.058 0.000 0.251 431 V C 2.079 178.192 176.094 0.033 0.000 1.068 431 V CA 1.034 63.290 62.300 -0.075 0.000 1.090 431 V CB -0.993 30.697 31.823 -0.222 0.000 0.710 431 V HN 0.280 nan 8.190 nan 0.000 0.467 432 F N 2.465 122.394 119.950 -0.035 0.000 2.075 432 F HA 0.042 4.603 4.527 0.058 0.000 0.297 432 F C 2.446 178.242 175.800 -0.007 0.000 1.113 432 F CA 2.189 60.190 58.000 0.001 0.000 1.218 432 F CB -0.721 38.263 39.000 -0.028 0.000 0.984 432 F HN 0.230 nan 8.300 nan 0.000 0.472 433 A N 0.060 123.030 122.820 0.251 0.000 2.019 433 A HA -0.168 4.187 4.320 0.058 0.000 0.219 433 A C 2.114 179.710 177.584 0.021 0.000 1.164 433 A CA 1.621 53.728 52.037 0.116 0.000 0.644 433 A CB -0.779 18.259 19.000 0.064 0.000 0.805 433 A HN 0.536 nan 8.150 nan 0.000 0.449 434 E N -0.223 119.984 120.200 0.011 0.000 2.118 434 E HA -0.151 4.234 4.350 0.058 0.000 0.195 434 E C 1.935 178.573 176.600 0.064 0.000 0.992 434 E CA 1.902 58.319 56.400 0.029 0.000 0.804 434 E CB -0.234 29.483 29.700 0.028 0.000 0.741 434 E HN 0.681 nan 8.360 nan 0.000 0.458 435 V N -1.972 117.948 119.914 0.010 0.000 3.644 435 V HA 0.183 4.338 4.120 0.058 0.000 0.267 435 V C 1.193 177.232 176.094 -0.092 0.000 1.277 435 V CA 0.342 62.639 62.300 -0.006 0.000 1.096 435 V CB 0.086 31.913 31.823 0.006 0.000 0.828 435 V HN 0.050 nan 8.190 nan 0.000 0.446 436 N N 0.181 118.776 118.700 -0.174 0.000 2.197 436 N HA 0.202 4.976 4.740 0.058 0.000 0.201 436 N C 0.701 176.181 175.510 -0.049 0.000 1.148 436 N CA 0.157 53.096 53.050 -0.186 0.000 0.883 436 N CB 0.770 38.966 38.487 -0.485 0.000 1.012 436 N HN 0.359 nan 8.380 nan 0.000 0.507 437 S N 1.322 117.018 115.700 -0.007 0.000 2.553 437 S HA -0.012 4.492 4.470 0.058 0.000 0.271 437 S C -0.034 174.578 174.600 0.021 0.000 1.362 437 S CA 0.455 58.665 58.200 0.018 0.000 1.010 437 S CB 0.461 63.674 63.200 0.022 0.000 0.865 437 S HN 0.146 nan 8.310 nan 0.000 0.543 438 D N 0.447 120.850 120.400 0.005 0.000 2.433 438 D HA 0.490 5.165 4.640 0.058 0.000 0.236 438 D C -0.595 175.670 176.300 -0.057 0.000 1.026 438 D CA -0.424 53.572 54.000 -0.007 0.000 0.884 438 D CB 1.172 41.966 40.800 -0.009 0.000 1.384 438 D HN 0.245 nan 8.370 nan 0.000 0.477 439 L N 1.828 122.992 121.223 -0.098 0.000 2.289 439 L HA 0.417 4.792 4.340 0.058 0.000 0.285 439 L C -0.392 176.276 176.870 -0.338 0.000 1.049 439 L CA -0.739 53.947 54.840 -0.257 0.000 0.804 439 L CB 1.053 42.907 42.059 -0.342 0.000 1.195 439 L HN 0.141 nan 8.230 nan 0.000 0.428 440 I N 3.275 123.600 120.570 -0.407 0.000 2.362 440 I HA 0.237 4.442 4.170 0.058 0.000 0.289 440 I C -0.587 175.240 176.117 -0.482 0.000 0.994 440 I CA -0.641 60.467 61.300 -0.320 0.000 1.158 440 I CB 1.135 39.011 38.000 -0.206 0.000 1.315 440 I HN 0.364 nan 8.210 nan 0.000 0.451 441 Y N 6.645 126.893 120.300 -0.087 0.000 2.404 441 Y HA 0.492 5.076 4.550 0.058 0.000 0.344 441 Y C 0.319 176.178 175.900 -0.068 0.000 0.970 441 Y CA -0.338 57.710 58.100 -0.086 0.000 1.180 441 Y CB 0.888 39.331 38.460 -0.028 0.000 1.138 441 Y HN 0.337 nan 8.280 nan 0.000 0.510 442 I N 2.667 123.233 120.570 -0.007 0.000 2.410 442 I HA 0.193 4.398 4.170 0.058 0.000 0.286 442 I C -0.006 176.254 176.117 0.239 0.000 1.009 442 I CA -0.710 60.641 61.300 0.085 0.000 1.111 442 I CB 1.945 39.975 38.000 0.049 0.000 1.262 442 I HN 0.398 nan 8.210 nan 0.000 0.443 443 T N 5.536 120.220 114.554 0.216 0.000 2.749 443 T HA 0.563 4.947 4.350 0.058 0.000 0.295 443 T C 0.058 174.913 174.700 0.257 0.000 0.936 443 T CA -0.436 61.789 62.100 0.208 0.000 1.060 443 T CB 0.403 69.342 68.868 0.118 0.000 0.904 443 T HN 0.645 nan 8.240 nan 0.000 0.500 444 A N 6.216 129.197 122.820 0.269 0.000 2.294 444 A HA 0.430 4.785 4.320 0.058 0.000 0.316 444 A C 0.520 178.116 177.584 0.020 0.000 1.359 444 A CA -0.662 51.500 52.037 0.208 0.000 0.956 444 A CB 0.102 19.193 19.000 0.152 0.000 1.155 444 A HN 0.876 nan 8.150 nan 0.000 0.544 445 K N 1.806 122.180 120.400 -0.043 0.000 2.436 445 K HA 0.021 4.376 4.320 0.058 0.000 0.275 445 K C 0.511 177.063 176.600 -0.080 0.000 0.999 445 K CA 0.119 56.374 56.287 -0.054 0.000 0.980 445 K CB 0.900 33.364 32.500 -0.061 0.000 0.919 445 K HN 0.648 nan 8.250 nan 0.000 0.484 446 K N 1.504 121.871 120.400 -0.054 0.000 2.585 446 K HA -0.118 4.237 4.320 0.058 0.000 0.194 446 K C 0.813 177.376 176.600 -0.061 0.000 1.037 446 K CA 1.079 57.333 56.287 -0.054 0.000 0.964 446 K CB 0.035 32.512 32.500 -0.038 0.000 0.787 446 K HN 0.587 nan 8.250 nan 0.000 0.488 447 D N -0.646 119.712 120.400 -0.070 0.000 2.363 447 D HA 0.024 4.699 4.640 0.058 0.000 0.214 447 D C 0.700 176.943 176.300 -0.095 0.000 1.093 447 D CA 0.258 54.217 54.000 -0.068 0.000 0.837 447 D CB 0.365 41.132 40.800 -0.055 0.000 0.948 447 D HN 0.147 nan 8.370 nan 0.000 0.507 448 G N 0.445 109.164 108.800 -0.134 0.000 2.204 448 G HA2 -0.204 3.791 3.960 0.058 0.000 0.244 448 G HA3 -0.204 3.791 3.960 0.058 0.000 0.244 448 G C 0.042 174.764 174.900 -0.296 0.000 1.062 448 G CA 0.284 45.270 45.100 -0.191 0.000 0.798 448 G HN 0.460 nan 8.290 nan 0.000 0.496 449 T N -0.930 113.419 114.554 -0.340 0.000 2.888 449 T HA 0.799 5.184 4.350 0.058 0.000 0.288 449 T C -0.454 173.929 174.700 -0.528 0.000 1.063 449 T CA -0.515 61.365 62.100 -0.367 0.000 1.010 449 T CB 1.744 70.522 68.868 -0.151 0.000 1.214 449 T HN 0.413 nan 8.240 nan 0.000 0.533 450 H N -1.047 118.033 119.070 0.016 0.000 2.928 450 H HA 0.764 5.354 4.556 0.058 0.000 0.371 450 H C -1.268 174.093 175.328 0.054 0.000 1.186 450 H CA -0.938 55.140 56.048 0.050 0.000 1.134 450 H CB 2.176 31.981 29.762 0.072 0.000 1.824 450 H HN 0.463 nan 8.280 nan 0.000 0.554 451 V N 2.108 122.153 119.914 0.219 0.000 2.775 451 V HA 0.330 4.485 4.120 0.058 0.000 0.295 451 V C -1.227 174.948 176.094 0.134 0.000 1.226 451 V CA -0.777 61.604 62.300 0.135 0.000 0.934 451 V CB 1.536 33.412 31.823 0.088 0.000 1.056 451 V HN 0.718 nan 8.190 nan 0.000 0.436 452 V N 4.235 124.211 119.914 0.102 0.000 2.427 452 V HA 0.635 4.790 4.120 0.058 0.000 0.268 452 V C 0.899 177.042 176.094 0.081 0.000 1.046 452 V CA 0.213 62.563 62.300 0.082 0.000 0.970 452 V CB 1.246 33.097 31.823 0.048 0.000 1.001 452 V HN 0.918 nan 8.190 nan 0.000 0.476 453 E N 4.009 124.269 120.200 0.100 0.000 2.122 453 E HA 0.129 4.514 4.350 0.058 0.000 0.190 453 E C 0.543 177.200 176.600 0.095 0.000 0.977 453 E CA 0.721 57.175 56.400 0.090 0.000 0.820 453 E CB 0.301 30.055 29.700 0.090 0.000 0.770 453 E HN 0.913 nan 8.360 nan 0.000 0.462 454 N N -0.990 117.799 118.700 0.148 0.000 3.020 454 N HA 0.272 5.046 4.740 0.058 0.000 0.248 454 N C -2.019 173.609 175.510 0.197 0.000 1.480 454 N CA -0.378 52.771 53.050 0.165 0.000 0.874 454 N CB 2.559 41.146 38.487 0.167 0.000 1.433 454 N HN -0.124 nan 8.380 nan 0.000 0.530 455 V N 1.018 121.031 119.914 0.166 0.000 2.733 455 V HA 0.380 4.535 4.120 0.058 0.000 0.306 455 V C -1.780 174.387 176.094 0.122 0.000 1.084 455 V CA -0.525 61.838 62.300 0.106 0.000 0.905 455 V CB 1.836 33.688 31.823 0.047 0.000 1.010 455 V HN 0.676 nan 8.190 nan 0.000 0.424 456 D N 5.100 125.561 120.400 0.102 0.000 2.473 456 D HA 0.558 5.232 4.640 0.058 0.000 0.226 456 D C 0.703 177.042 176.300 0.065 0.000 1.089 456 D CA 0.327 54.390 54.000 0.104 0.000 0.883 456 D CB 1.866 42.746 40.800 0.133 0.000 1.029 456 D HN 0.736 nan 8.370 nan 0.000 0.517 457 A N 2.398 125.255 122.820 0.063 0.000 2.119 457 A HA -0.044 4.311 4.320 0.058 0.000 0.216 457 A C 1.601 179.224 177.584 0.067 0.000 1.152 457 A CA 1.058 53.127 52.037 0.054 0.000 0.708 457 A CB -0.125 18.904 19.000 0.048 0.000 0.805 457 A HN 0.504 nan 8.150 nan 0.000 0.460 458 T N -4.580 110.023 114.554 0.082 0.000 3.223 458 T HA 0.222 4.606 4.350 0.058 0.000 0.259 458 T C 1.031 175.807 174.700 0.128 0.000 1.015 458 T CA 0.431 62.585 62.100 0.089 0.000 0.908 458 T CB -0.311 68.602 68.868 0.074 0.000 1.054 458 T HN 0.491 nan 8.240 nan 0.000 0.567 459 H N 0.831 119.903 119.070 0.004 0.000 2.355 459 H HA 0.466 5.057 4.556 0.058 0.000 0.312 459 H C 0.215 175.582 175.328 0.066 0.000 1.051 459 H CA 0.026 56.048 56.048 -0.042 0.000 1.389 459 H CB -0.027 29.637 29.762 -0.162 0.000 1.455 459 H HN 0.292 nan 8.280 nan 0.000 0.575 460 I N 1.014 121.655 120.570 0.117 0.000 2.648 460 I HA 0.152 4.357 4.170 0.058 0.000 0.284 460 I C 1.353 177.537 176.117 0.111 0.000 1.153 460 I CA 1.144 62.524 61.300 0.134 0.000 1.426 460 I CB 0.702 38.774 38.000 0.119 0.000 1.381 460 I HN 0.638 nan 8.210 nan 0.000 0.571 461 G N 4.612 113.493 108.800 0.134 0.000 2.295 461 G HA2 -0.337 3.658 3.960 0.058 0.000 0.287 461 G HA3 -0.337 3.658 3.960 0.058 0.000 0.287 461 G C 1.074 176.013 174.900 0.065 0.000 1.055 461 G CA 0.605 45.749 45.100 0.073 0.000 0.922 461 G HN 0.770 nan 8.290 nan 0.000 0.503 462 K N -1.157 119.310 120.400 0.112 0.000 2.103 462 K HA 0.273 4.628 4.320 0.058 0.000 0.204 462 K C 0.886 177.515 176.600 0.049 0.000 1.052 462 K CA 0.775 57.117 56.287 0.091 0.000 0.945 462 K CB 0.044 32.635 32.500 0.151 0.000 0.722 462 K HN 0.417 nan 8.250 nan 0.000 0.443 463 L N 1.647 122.908 121.223 0.063 0.000 2.562 463 L HA 0.407 4.782 4.340 0.058 0.000 0.266 463 L C -1.622 175.261 176.870 0.021 0.000 0.949 463 L CA -0.607 54.257 54.840 0.039 0.000 0.879 463 L CB 1.791 43.871 42.059 0.036 0.000 1.278 463 L HN 0.008 nan 8.230 nan 0.000 0.404 464 I N 4.714 125.230 120.570 -0.089 0.000 2.441 464 I HA 0.624 4.829 4.170 0.058 0.000 0.295 464 I C -0.485 175.506 176.117 -0.211 0.000 0.994 464 I CA -0.699 60.461 61.300 -0.232 0.000 1.144 464 I CB 2.152 39.955 38.000 -0.329 0.000 1.314 464 I HN 0.253 nan 8.210 nan 0.000 0.445 465 V N 4.375 124.116 119.914 -0.289 0.000 3.147 465 V HA 0.708 4.863 4.120 0.058 0.000 0.306 465 V C -0.729 175.138 176.094 -0.378 0.000 1.209 465 V CA -0.113 61.991 62.300 -0.327 0.000 1.023 465 V CB 2.834 34.439 31.823 -0.362 0.000 1.059 465 V HN 0.860 nan 8.190 nan 0.000 0.435 466 T N 2.260 116.574 114.554 -0.400 0.000 2.792 466 T HA 0.382 4.767 4.350 0.058 0.000 0.303 466 T C -1.271 173.353 174.700 -0.126 0.000 1.310 466 T CA -0.592 61.377 62.100 -0.219 0.000 1.007 466 T CB 1.742 70.528 68.868 -0.136 0.000 1.335 466 T HN 0.832 nan 8.240 nan 0.000 0.504 467 K N 2.135 122.668 120.400 0.221 0.000 2.401 467 K HA 0.237 4.592 4.320 0.058 0.000 0.278 467 K C 0.797 177.483 176.600 0.143 0.000 1.018 467 K CA -0.326 56.141 56.287 0.300 0.000 0.981 467 K CB 0.460 33.150 32.500 0.316 0.000 0.933 467 K HN 0.644 nan 8.250 nan 0.000 0.477 468 Q N 3.027 122.887 119.800 0.100 0.000 2.500 468 Q HA 0.048 4.423 4.340 0.058 0.000 0.215 468 Q C 0.786 176.800 176.000 0.024 0.000 1.062 468 Q CA -0.249 55.583 55.803 0.048 0.000 0.996 468 Q CB 0.504 29.256 28.738 0.023 0.000 1.239 468 Q HN 0.636 nan 8.270 nan 0.000 0.578 469 I N 0.466 121.027 120.570 -0.014 0.000 2.406 469 I HA -0.066 4.138 4.170 0.058 0.000 0.249 469 I C 1.909 177.984 176.117 -0.070 0.000 1.122 469 I CA 1.066 62.314 61.300 -0.085 0.000 1.431 469 I CB -0.618 37.317 38.000 -0.108 0.000 1.087 469 I HN 0.920 nan 8.210 nan 0.000 0.424 470 G N 0.519 109.293 108.800 -0.042 0.000 2.798 470 G HA2 0.103 4.098 3.960 0.058 0.000 0.202 470 G HA3 0.103 4.098 3.960 0.058 0.000 0.202 470 G C 0.829 175.700 174.900 -0.047 0.000 1.432 470 G CA 0.710 45.785 45.100 -0.043 0.000 0.861 470 G HN 0.455 nan 8.290 nan 0.000 0.598 471 G N -1.397 107.381 108.800 -0.036 0.000 2.990 471 G HA2 0.404 4.399 3.960 0.058 0.000 0.208 471 G HA3 0.404 4.399 3.960 0.058 0.000 0.208 471 G C -0.142 174.753 174.900 -0.007 0.000 1.334 471 G CA 0.069 45.143 45.100 -0.044 0.000 1.024 471 G HN 0.153 nan 8.290 nan 0.000 0.574 472 D N 0.422 120.815 120.400 -0.011 0.000 2.368 472 D HA 0.111 4.786 4.640 0.058 0.000 0.250 472 D C 1.470 177.819 176.300 0.081 0.000 1.142 472 D CA 0.392 54.401 54.000 0.016 0.000 0.925 472 D CB -0.402 40.386 40.800 -0.021 0.000 0.896 472 D HN 0.342 nan 8.370 nan 0.000 0.525 473 G N 0.030 108.884 108.800 0.090 0.000 2.570 473 G HA2 0.323 4.317 3.960 0.058 0.000 0.276 473 G HA3 0.323 4.317 3.960 0.058 0.000 0.276 473 G C -0.054 174.980 174.900 0.223 0.000 1.346 473 G CA -0.548 44.626 45.100 0.122 0.000 1.034 473 G HN 0.152 nan 8.290 nan 0.000 0.512 474 M N 0.005 119.658 119.600 0.088 0.000 2.508 474 M HA 0.686 5.201 4.480 0.058 0.000 0.327 474 M C -1.081 175.119 176.300 -0.167 0.000 1.160 474 M CA -0.701 54.497 55.300 -0.169 0.000 0.980 474 M CB 1.880 34.319 32.600 -0.269 0.000 1.693 474 M HN 0.520 nan 8.290 nan 0.000 0.452 475 M N 4.262 123.718 119.600 -0.240 0.000 2.204 475 M HA 0.275 4.790 4.480 0.058 0.000 0.293 475 M C -1.447 174.748 176.300 -0.174 0.000 0.994 475 M CA -0.572 54.642 55.300 -0.142 0.000 0.925 475 M CB 1.412 33.971 32.600 -0.069 0.000 1.577 475 M HN 0.631 nan 8.290 nan 0.000 0.439 476 D N 6.039 126.363 120.400 -0.126 0.000 2.344 476 D HA 0.167 4.841 4.640 0.058 0.000 0.253 476 D C 0.484 176.743 176.300 -0.069 0.000 1.255 476 D CA 0.006 53.941 54.000 -0.109 0.000 0.894 476 D CB 0.454 41.206 40.800 -0.081 0.000 1.067 476 D HN 0.741 nan 8.370 nan 0.000 0.492 477 I N 1.082 121.608 120.570 -0.074 0.000 3.877 477 I HA 0.126 4.330 4.170 0.058 0.000 0.332 477 I C 0.787 176.925 176.117 0.036 0.000 1.525 477 I CA -0.475 60.813 61.300 -0.019 0.000 1.146 477 I CB 0.199 38.180 38.000 -0.032 0.000 1.137 477 I HN -0.016 nan 8.210 nan 0.000 0.424 478 T N 1.944 116.498 114.554 0.000 0.000 2.720 478 T HA -0.188 4.196 4.350 0.058 0.000 0.268 478 T C 1.214 175.945 174.700 0.051 0.000 1.037 478 T CA 2.494 64.606 62.100 0.020 0.000 1.144 478 T CB -0.503 68.359 68.868 -0.010 0.000 0.864 478 T HN 0.694 nan 8.240 nan 0.000 0.444 479 D N 1.763 122.177 120.400 0.023 0.000 2.311 479 D HA -0.120 4.555 4.640 0.058 0.000 0.212 479 D C 2.064 178.340 176.300 -0.041 0.000 0.972 479 D CA 1.371 55.369 54.000 -0.003 0.000 0.887 479 D CB -0.822 39.984 40.800 0.010 0.000 0.915 479 D HN 0.569 nan 8.370 nan 0.000 0.497 480 T N -2.717 111.848 114.554 0.018 0.000 2.978 480 T HA -0.119 4.266 4.350 0.058 0.000 0.262 480 T C 1.619 176.252 174.700 -0.111 0.000 1.063 480 T CA 0.430 62.512 62.100 -0.031 0.000 1.140 480 T CB -0.569 68.306 68.868 0.011 0.000 0.886 480 T HN 0.180 nan 8.240 nan 0.000 0.470 481 Y N 2.762 123.016 120.300 -0.077 0.000 2.517 481 Y HA 0.358 4.943 4.550 0.057 0.000 0.281 481 Y C 1.010 176.813 175.900 -0.161 0.000 1.125 481 Y CA -0.069 57.993 58.100 -0.065 0.000 1.283 481 Y CB 0.265 38.729 38.460 0.007 0.000 1.042 481 Y HN 0.433 nan 8.280 nan 0.000 0.547 482 K N -1.824 118.532 120.400 -0.074 0.000 2.568 482 K HA 0.337 4.691 4.320 0.058 0.000 0.273 482 K C -1.411 175.053 176.600 -0.226 0.000 0.951 482 K CA -0.811 55.376 56.287 -0.167 0.000 0.854 482 K CB 0.956 33.430 32.500 -0.042 0.000 1.424 482 K HN -0.234 nan 8.250 nan 0.000 0.427 483 F N 1.673 121.621 119.950 -0.004 0.000 2.390 483 F HA 0.116 4.678 4.527 0.058 0.000 0.307 483 F C 1.230 177.039 175.800 0.016 0.000 1.227 483 F CA -0.133 57.871 58.000 0.006 0.000 1.179 483 F CB 0.718 39.722 39.000 0.008 0.000 1.280 483 F HN 0.551 nan 8.300 nan 0.000 0.548 484 Q N 1.123 121.078 119.800 0.258 0.000 2.327 484 Q HA 0.175 4.550 4.340 0.058 0.000 0.254 484 Q C -0.856 175.219 176.000 0.124 0.000 0.952 484 Q CA -0.635 55.253 55.803 0.141 0.000 0.884 484 Q CB 0.615 29.419 28.738 0.109 0.000 1.224 484 Q HN 0.585 nan 8.270 nan 0.000 0.422 485 E N 1.061 121.313 120.200 0.086 0.000 2.414 485 E HA 0.169 4.554 4.350 0.058 0.000 0.263 485 E C 0.544 177.178 176.600 0.056 0.000 1.000 485 E CA 0.798 57.240 56.400 0.071 0.000 0.914 485 E CB 0.439 30.173 29.700 0.057 0.000 0.948 485 E HN 1.010 nan 8.360 nan 0.000 0.444 486 G N 2.660 111.489 108.800 0.048 0.000 2.317 486 G HA2 -0.320 3.674 3.960 0.058 0.000 0.227 486 G HA3 -0.320 3.674 3.960 0.058 0.000 0.227 486 G C 0.287 175.200 174.900 0.022 0.000 1.042 486 G CA -0.179 44.941 45.100 0.033 0.000 0.623 486 G HN 0.536 nan 8.290 nan 0.000 0.509 487 Q N 1.354 121.169 119.800 0.025 0.000 2.300 487 Q HA 0.268 4.642 4.340 0.058 0.000 0.280 487 Q C 1.876 177.848 176.000 -0.046 0.000 1.033 487 Q CA 0.467 56.262 55.803 -0.014 0.000 0.903 487 Q CB 0.611 29.339 28.738 -0.017 0.000 1.195 487 Q HN 0.743 nan 8.270 nan 0.000 0.386 488 E N 3.748 123.909 120.200 -0.065 0.000 2.160 488 E HA -0.276 4.109 4.350 0.058 0.000 0.195 488 E C 0.764 177.295 176.600 -0.115 0.000 0.991 488 E CA 1.522 57.884 56.400 -0.064 0.000 0.810 488 E CB -0.007 29.662 29.700 -0.052 0.000 0.742 488 E HN 0.709 nan 8.360 nan 0.000 0.466 489 E N 1.386 121.426 120.200 -0.267 0.000 2.153 489 E HA -0.201 4.183 4.350 0.058 0.000 0.194 489 E C 1.889 178.330 176.600 -0.266 0.000 0.988 489 E CA 0.910 57.006 56.400 -0.506 0.000 0.811 489 E CB -0.365 28.509 29.700 -1.377 0.000 0.746 489 E HN 0.447 nan 8.360 nan 0.000 0.466 490 E N 1.194 121.341 120.200 -0.089 0.000 2.028 490 E HA -0.153 4.232 4.350 0.058 0.000 0.191 490 E C 2.304 178.974 176.600 0.116 0.000 0.988 490 E CA 0.712 57.204 56.400 0.153 0.000 0.799 490 E CB -0.054 29.732 29.700 0.143 0.000 0.755 490 E HN 0.150 nan 8.360 nan 0.000 0.447 491 R N 0.473 121.005 120.500 0.053 0.000 2.152 491 R HA -0.081 4.293 4.340 0.058 0.000 0.232 491 R C 2.418 178.745 176.300 0.046 0.000 1.117 491 R CA 0.590 56.718 56.100 0.047 0.000 0.981 491 R CB -0.031 30.282 30.300 0.022 0.000 0.870 491 R HN 0.193 nan 8.270 nan 0.000 0.451 492 L N -0.206 121.039 121.223 0.037 0.000 2.072 492 L HA -0.049 4.325 4.340 0.058 0.000 0.205 492 L C 2.583 179.502 176.870 0.081 0.000 1.079 492 L CA 1.191 56.056 54.840 0.042 0.000 0.752 492 L CB -0.587 41.490 42.059 0.030 0.000 0.906 492 L HN 0.315 nan 8.230 nan 0.000 0.436 493 A N -0.112 122.804 122.820 0.160 0.000 1.940 493 A HA -0.236 4.119 4.320 0.058 0.000 0.219 493 A C 2.185 179.881 177.584 0.186 0.000 1.176 493 A CA 1.534 53.708 52.037 0.229 0.000 0.631 493 A CB -0.583 18.647 19.000 0.383 0.000 0.814 493 A HN 0.321 nan 8.150 nan 0.000 0.446 494 L N -0.533 120.802 121.223 0.186 0.000 2.027 494 L HA -0.105 4.269 4.340 0.058 0.000 0.206 494 L C 2.324 179.207 176.870 0.021 0.000 1.074 494 L CA 2.388 57.320 54.840 0.153 0.000 0.745 494 L CB -0.475 41.661 42.059 0.129 0.000 0.898 494 L HN 0.435 nan 8.230 nan 0.000 0.433 495 E N -1.083 119.119 120.200 0.004 0.000 2.097 495 E HA -0.213 4.172 4.350 0.058 0.000 0.196 495 E C 1.986 178.517 176.600 -0.116 0.000 1.000 495 E CA 2.098 58.469 56.400 -0.048 0.000 0.804 495 E CB -0.215 29.467 29.700 -0.030 0.000 0.740 495 E HN 0.538 nan 8.360 nan 0.000 0.454 496 T N -0.057 114.435 114.554 -0.103 0.000 2.732 496 T HA -0.075 4.310 4.350 0.058 0.000 0.261 496 T C 1.906 176.455 174.700 -0.250 0.000 1.040 496 T CA 1.266 63.264 62.100 -0.171 0.000 1.145 496 T CB -0.598 68.197 68.868 -0.123 0.000 0.866 496 T HN 0.304 nan 8.240 nan 0.000 0.427 497 A N 2.223 124.893 122.820 -0.250 0.000 1.873 497 A HA -0.097 4.257 4.320 0.058 0.000 0.218 497 A C 2.229 179.612 177.584 -0.335 0.000 1.193 497 A CA 1.331 53.109 52.037 -0.431 0.000 0.629 497 A CB -1.041 17.487 19.000 -0.786 0.000 0.826 497 A HN 0.352 nan 8.150 nan 0.000 0.447 498 L N -1.093 119.985 121.223 -0.242 0.000 2.189 498 L HA -0.169 4.206 4.340 0.058 0.000 0.214 498 L C 2.498 179.208 176.870 -0.266 0.000 1.097 498 L CA 2.142 56.861 54.840 -0.203 0.000 0.764 498 L CB -1.080 40.900 42.059 -0.132 0.000 0.900 498 L HN 0.625 nan 8.230 nan 0.000 0.436 499 M N -1.893 117.465 119.600 -0.403 0.000 2.349 499 M HA -0.166 4.348 4.480 0.058 0.000 0.266 499 M C 0.622 176.500 176.300 -0.704 0.000 1.076 499 M CA 1.326 56.266 55.300 -0.601 0.000 1.126 499 M CB 0.160 32.254 32.600 -0.845 0.000 1.392 499 M HN 0.109 nan 8.290 nan 0.000 0.440 500 Y N -0.629 119.549 120.300 -0.203 0.000 2.751 500 Y HA 0.475 5.059 4.550 0.058 0.000 0.289 500 Y C 1.014 176.780 175.900 -0.224 0.000 1.110 500 Y CA -0.052 57.919 58.100 -0.214 0.000 1.251 500 Y CB 0.225 38.528 38.460 -0.261 0.000 1.178 500 Y HN 0.373 nan 8.280 nan 0.000 0.540 501 G N -0.763 107.957 108.800 -0.135 0.000 2.227 501 G HA2 0.008 4.003 3.960 0.058 0.000 0.168 501 G HA3 0.008 4.003 3.960 0.058 0.000 0.168 501 G C 0.207 174.976 174.900 -0.218 0.000 1.006 501 G CA -0.383 44.620 45.100 -0.161 0.000 0.684 501 G HN 0.555 nan 8.290 nan 0.000 0.489 502 A N 0.225 122.907 122.820 -0.231 0.000 2.322 502 A HA 0.769 5.123 4.320 0.058 0.000 0.269 502 A C 0.211 177.710 177.584 -0.141 0.000 1.094 502 A CA 0.100 52.009 52.037 -0.213 0.000 0.807 502 A CB 0.675 19.534 19.000 -0.235 0.000 1.047 502 A HN 0.268 nan 8.150 nan 0.000 0.487 503 K N 1.079 121.418 120.400 -0.102 0.000 2.376 503 K HA 0.407 4.762 4.320 0.058 0.000 0.257 503 K C -1.085 175.489 176.600 -0.043 0.000 0.939 503 K CA -0.362 55.882 56.287 -0.071 0.000 0.809 503 K CB 1.862 34.322 32.500 -0.068 0.000 1.121 503 K HN 0.617 nan 8.250 nan 0.000 0.425 504 K N 3.802 124.179 120.400 -0.038 0.000 2.753 504 K HA 0.181 4.535 4.320 0.058 0.000 0.185 504 K C -1.823 174.762 176.600 -0.025 0.000 1.071 504 K CA -1.373 54.899 56.287 -0.025 0.000 0.999 504 K CB 1.234 33.723 32.500 -0.018 0.000 1.244 504 K HN 0.376 nan 8.250 nan 0.000 0.594 505 P HA -0.108 nan 4.420 nan 0.000 0.221 505 P C 0.121 177.414 177.300 -0.011 0.000 1.150 505 P CA 0.527 63.616 63.100 -0.018 0.000 0.800 505 P CB 0.715 32.406 31.700 -0.016 0.000 0.787 506 L N 1.155 122.370 121.223 -0.012 0.000 2.275 506 L HA 0.277 4.652 4.340 0.058 0.000 0.288 506 L C 0.532 177.401 176.870 -0.001 0.000 1.046 506 L CA -0.865 53.972 54.840 -0.005 0.000 0.805 506 L CB 0.848 42.901 42.059 -0.010 0.000 1.193 506 L HN -0.167 nan 8.230 nan 0.000 0.426 507 N N 2.248 120.952 118.700 0.006 0.000 2.416 507 N HA 0.008 4.783 4.740 0.058 0.000 0.265 507 N C -0.475 175.043 175.510 0.013 0.000 1.195 507 N CA -0.083 52.972 53.050 0.008 0.000 0.943 507 N CB 0.643 39.137 38.487 0.011 0.000 1.115 507 N HN 0.514 nan 8.380 nan 0.000 0.481 508 T N 1.041 115.602 114.554 0.011 0.000 3.281 508 T HA 0.313 4.698 4.350 0.058 0.000 0.359 508 T C 0.750 175.461 174.700 0.018 0.000 1.459 508 T CA -0.700 61.410 62.100 0.016 0.000 1.114 508 T CB 0.405 69.281 68.868 0.013 0.000 1.162 508 T HN 0.420 nan 8.240 nan 0.000 0.665 509 E N 2.848 123.060 120.200 0.020 0.000 2.179 509 E HA 0.230 4.615 4.350 0.058 0.000 0.236 509 E C 1.523 178.136 176.600 0.022 0.000 0.843 509 E CA -0.113 56.298 56.400 0.019 0.000 1.245 509 E CB -0.376 29.335 29.700 0.019 0.000 1.113 509 E HN 0.611 nan 8.360 nan 0.000 0.548 510 G N 1.454 110.268 108.800 0.024 0.000 2.916 510 G HA2 0.356 4.350 3.960 0.058 0.000 0.280 510 G HA3 0.356 4.350 3.960 0.058 0.000 0.280 510 G C -0.250 174.668 174.900 0.029 0.000 0.758 510 G CA -0.041 45.074 45.100 0.025 0.000 1.993 510 G HN 0.126 nan 8.290 nan 0.000 0.564 518 V N 0.374 120.356 119.914 0.112 0.000 2.435 518 V HA 0.495 4.650 4.120 0.058 0.000 0.290 518 V C -0.394 175.761 176.094 0.102 0.000 1.030 518 V CA -0.523 61.859 62.300 0.136 0.000 0.881 518 V CB 1.863 33.759 31.823 0.121 0.000 0.983 518 V HN 0.262 nan 8.190 nan 0.000 0.445 519 D N 4.332 124.801 120.400 0.115 0.000 2.441 519 D HA 0.487 5.162 4.640 0.058 0.000 0.231 519 D C -0.314 176.013 176.300 0.045 0.000 1.073 519 D CA -0.059 53.985 54.000 0.074 0.000 0.850 519 D CB 1.453 42.299 40.800 0.077 0.000 1.062 519 D HN 0.495 nan 8.370 nan 0.000 0.524 520 M N 2.041 121.627 119.600 -0.024 0.000 2.472 520 M HA 0.552 5.067 4.480 0.058 0.000 0.331 520 M C -1.495 174.718 176.300 -0.146 0.000 1.170 520 M CA -0.391 54.795 55.300 -0.190 0.000 1.009 520 M CB 1.646 34.096 32.600 -0.249 0.000 1.672 520 M HN 0.256 nan 8.290 nan 0.000 0.453 521 D N 2.609 122.890 120.400 -0.197 0.000 2.706 521 D HA 0.467 5.141 4.640 0.058 0.000 0.227 521 D C -1.928 174.343 176.300 -0.048 0.000 1.233 521 D CA -0.305 53.639 54.000 -0.093 0.000 0.768 521 D CB 1.431 42.186 40.800 -0.074 0.000 1.490 521 D HN 0.493 nan 8.370 nan 0.000 0.458 522 F N 0.592 120.444 119.950 -0.163 0.000 2.620 522 F HA 0.851 5.412 4.527 0.058 0.000 0.320 522 F C -1.165 174.576 175.800 -0.099 0.000 1.069 522 F CA -0.834 57.072 58.000 -0.157 0.000 0.953 522 F CB 1.597 40.489 39.000 -0.179 0.000 1.322 522 F HN 0.288 nan 8.300 nan 0.000 0.479 523 E N 1.022 121.285 120.200 0.106 0.000 2.331 523 E HA 0.654 5.039 4.350 0.058 0.000 0.275 523 E C -2.200 174.438 176.600 0.063 0.000 0.895 523 E CA -1.117 55.269 56.400 -0.023 0.000 0.753 523 E CB 2.543 32.217 29.700 -0.044 0.000 1.216 523 E HN 0.592 nan 8.360 nan 0.000 0.434 524 V N 1.994 121.905 119.914 -0.006 0.000 2.513 524 V HA 0.266 4.421 4.120 0.058 0.000 0.299 524 V C -0.200 175.881 176.094 -0.021 0.000 1.035 524 V CA -0.815 61.474 62.300 -0.018 0.000 0.889 524 V CB 1.371 33.123 31.823 -0.119 0.000 0.988 524 V HN 0.820 nan 8.190 nan 0.000 0.440 525 E N 2.882 123.100 120.200 0.029 0.000 2.227 525 E HA 0.326 4.710 4.350 0.058 0.000 0.282 525 E C -0.423 176.131 176.600 -0.077 0.000 1.015 525 E CA -0.598 55.808 56.400 0.010 0.000 0.823 525 E CB 0.967 30.711 29.700 0.073 0.000 1.081 525 E HN 0.627 nan 8.360 nan 0.000 0.396 526 N N 1.773 120.410 118.700 -0.104 0.000 2.513 526 N HA 0.324 5.098 4.740 0.058 0.000 0.268 526 N C -1.218 174.226 175.510 -0.111 0.000 1.180 526 N CA 0.175 53.122 53.050 -0.171 0.000 0.948 526 N CB 0.959 39.369 38.487 -0.128 0.000 1.083 526 N HN 0.668 nan 8.380 nan 0.000 0.455 527 A N 2.063 124.789 122.820 -0.156 0.000 2.437 527 A HA 0.684 5.038 4.320 0.058 0.000 0.288 527 A C -0.831 176.760 177.584 0.012 0.000 1.201 527 A CA -0.644 51.395 52.037 0.003 0.000 0.795 527 A CB 0.773 19.884 19.000 0.184 0.000 1.359 527 A HN 0.424 nan 8.150 nan 0.000 0.435 528 V N 0.967 120.929 119.914 0.080 0.000 2.863 528 V HA 0.270 4.425 4.120 0.058 0.000 0.307 528 V C 0.481 176.653 176.094 0.129 0.000 1.061 528 V CA -0.821 61.526 62.300 0.079 0.000 1.024 528 V CB 1.453 33.322 31.823 0.077 0.000 1.049 528 V HN 0.758 nan 8.190 nan 0.000 0.471 529 L N 3.082 124.373 121.223 0.114 0.000 2.540 529 L HA 0.282 4.656 4.340 0.058 0.000 0.276 529 L C 1.248 178.232 176.870 0.191 0.000 1.212 529 L CA 1.879 56.815 54.840 0.160 0.000 0.893 529 L CB -0.221 41.910 42.059 0.120 0.000 1.138 529 L HN 1.076 nan 8.230 nan 0.000 0.491 530 G N 3.998 112.970 108.800 0.285 0.000 2.176 530 G HA2 -0.263 3.732 3.960 0.058 0.000 0.253 530 G HA3 -0.263 3.732 3.960 0.058 0.000 0.253 530 G C 0.449 175.438 174.900 0.148 0.000 0.979 530 G CA 0.393 45.593 45.100 0.167 0.000 0.641 530 G HN 0.585 nan 8.290 nan 0.000 0.530 531 K N 0.347 120.898 120.400 0.252 0.000 2.258 531 K HA 0.582 4.936 4.320 0.058 0.000 0.236 531 K C -0.879 175.913 176.600 0.321 0.000 1.008 531 K CA -0.912 55.505 56.287 0.216 0.000 0.869 531 K CB 0.941 33.550 32.500 0.181 0.000 1.171 531 K HN 0.074 nan 8.250 nan 0.000 0.447 532 D N 0.906 121.428 120.400 0.205 0.000 2.253 532 D HA 0.399 5.073 4.640 0.058 0.000 0.249 532 D C -0.637 175.806 176.300 0.238 0.000 1.049 532 D CA -0.084 53.999 54.000 0.139 0.000 0.929 532 D CB 0.640 41.459 40.800 0.032 0.000 1.176 532 D HN 0.298 nan 8.370 nan 0.000 0.437 533 F N -2.010 118.039 119.950 0.165 0.000 2.645 533 F HA 0.575 5.137 4.527 0.058 0.000 0.310 533 F C -0.435 175.424 175.800 0.098 0.000 1.102 533 F CA -1.277 56.793 58.000 0.117 0.000 0.952 533 F CB 1.376 40.442 39.000 0.110 0.000 1.326 533 F HN -0.081 nan 8.300 nan 0.000 0.456 534 K N 1.410 121.973 120.400 0.271 0.000 2.095 534 K HA 0.760 5.114 4.320 0.058 0.000 0.252 534 K C -1.662 175.047 176.600 0.183 0.000 0.977 534 K CA -1.088 55.293 56.287 0.157 0.000 0.900 534 K CB 1.995 34.562 32.500 0.112 0.000 1.060 534 K HN 0.864 nan 8.250 nan 0.000 0.449 535 L N 1.571 122.852 121.223 0.097 0.000 2.573 535 L HA 0.309 4.684 4.340 0.058 0.000 0.260 535 L C -1.358 175.540 176.870 0.046 0.000 0.997 535 L CA -0.208 54.662 54.840 0.050 0.000 0.890 535 L CB 1.552 43.577 42.059 -0.057 0.000 1.179 535 L HN 0.540 nan 8.230 nan 0.000 0.439 536 S N 4.761 120.497 115.700 0.060 0.000 2.610 536 S HA 0.652 5.157 4.470 0.058 0.000 0.273 536 S C -0.216 174.390 174.600 0.010 0.000 1.274 536 S CA -0.447 57.773 58.200 0.035 0.000 1.023 536 S CB 1.525 64.745 63.200 0.035 0.000 0.962 536 S HN 0.482 nan 8.310 nan 0.000 0.523 537 I N 2.090 122.614 120.570 -0.076 0.000 2.465 537 I HA 0.374 4.578 4.170 0.058 0.000 0.291 537 I C 0.163 176.117 176.117 -0.271 0.000 1.014 537 I CA -0.538 60.636 61.300 -0.210 0.000 1.093 537 I CB 2.153 39.920 38.000 -0.388 0.000 1.267 537 I HN 0.638 nan 8.210 nan 0.000 0.431 538 T N 2.632 116.966 114.554 -0.367 0.000 2.855 538 T HA 0.688 5.072 4.350 0.058 0.000 0.281 538 T C -0.960 173.405 174.700 -0.559 0.000 1.007 538 T CA -0.476 61.402 62.100 -0.371 0.000 1.009 538 T CB 1.297 70.100 68.868 -0.108 0.000 0.983 538 T HN 0.239 nan 8.240 nan 0.000 0.455 539 F N 1.493 121.267 119.950 -0.293 0.000 2.553 539 F HA 0.528 5.089 4.527 0.058 0.000 0.335 539 F C 0.393 176.169 175.800 -0.039 0.000 1.148 539 F CA -0.926 56.996 58.000 -0.130 0.000 0.963 539 F CB 2.038 40.956 39.000 -0.137 0.000 1.217 539 F HN 0.546 nan 8.300 nan 0.000 0.441 540 R N 2.701 123.372 120.500 0.284 0.000 2.407 540 R HA 0.409 4.784 4.340 0.058 0.000 0.303 540 R C -0.829 175.614 176.300 0.239 0.000 0.981 540 R CA -0.500 55.815 56.100 0.358 0.000 0.905 540 R CB 0.984 31.486 30.300 0.337 0.000 1.099 540 R HN 0.619 nan 8.270 nan 0.000 0.459 541 N N 3.884 122.704 118.700 0.199 0.000 2.623 541 N HA 0.107 4.881 4.740 0.058 0.000 0.256 541 N C -0.795 174.769 175.510 0.089 0.000 1.045 541 N CA -0.387 52.761 53.050 0.162 0.000 0.863 541 N CB 0.931 39.508 38.487 0.148 0.000 1.182 541 N HN 0.689 nan 8.380 nan 0.000 0.523 542 N N 0.786 119.533 118.700 0.078 0.000 2.457 542 N HA -0.073 4.702 4.740 0.058 0.000 0.180 542 N C 0.480 175.964 175.510 -0.043 0.000 1.050 542 N CA 0.193 53.250 53.050 0.012 0.000 0.906 542 N CB 0.183 38.686 38.487 0.027 0.000 0.968 542 N HN 0.549 nan 8.380 nan 0.000 0.445 543 S N 0.602 116.304 115.700 0.004 0.000 2.593 543 S HA 0.081 4.586 4.470 0.058 0.000 0.269 543 S C 0.467 175.005 174.600 -0.104 0.000 1.334 543 S CA -0.409 57.782 58.200 -0.014 0.000 1.015 543 S CB 0.712 63.940 63.200 0.046 0.000 0.912 543 S HN 0.222 nan 8.310 nan 0.000 0.541 544 H N 2.852 121.905 119.070 -0.030 0.000 2.813 544 H HA 0.271 4.862 4.556 0.058 0.000 0.312 544 H C 0.211 175.489 175.328 -0.084 0.000 1.228 544 H CA 0.002 56.025 56.048 -0.041 0.000 1.154 544 H CB -0.888 28.860 29.762 -0.024 0.000 1.418 544 H HN 0.734 nan 8.280 nan 0.000 0.525 545 N N -0.199 118.450 118.700 -0.085 0.000 2.823 545 N HA 0.147 4.922 4.740 0.058 0.000 0.251 545 N C -0.652 174.633 175.510 -0.375 0.000 1.392 545 N CA -0.913 52.017 53.050 -0.199 0.000 0.864 545 N CB 2.183 40.531 38.487 -0.232 0.000 1.481 545 N HN 0.160 nan 8.380 nan 0.000 0.508 546 R N -0.408 119.887 120.500 -0.342 0.000 2.573 546 R HA 0.579 4.954 4.340 0.058 0.000 0.272 546 R C -1.267 174.768 176.300 -0.440 0.000 1.009 546 R CA -0.336 55.577 56.100 -0.312 0.000 1.059 546 R CB 0.752 30.974 30.300 -0.131 0.000 1.112 546 R HN 0.565 nan 8.270 nan 0.000 0.517 547 Y N -0.850 119.437 120.300 -0.021 0.000 2.705 547 Y HA 0.407 4.992 4.550 0.058 0.000 0.332 547 Y C -0.421 175.447 175.900 -0.054 0.000 1.157 547 Y CA -1.189 56.893 58.100 -0.029 0.000 1.091 547 Y CB 2.654 41.098 38.460 -0.027 0.000 1.301 547 Y HN 0.608 nan 8.280 nan 0.000 0.488 548 T N 2.785 117.430 114.554 0.152 0.000 3.009 548 T HA 0.562 4.947 4.350 0.058 0.000 0.346 548 T C -0.515 174.171 174.700 -0.023 0.000 1.092 548 T CA -0.372 61.744 62.100 0.027 0.000 1.080 548 T CB -0.250 68.630 68.868 0.021 0.000 1.037 548 T HN 0.287 nan 8.240 nan 0.000 0.487 549 I N 2.196 122.709 120.570 -0.096 0.000 2.566 549 I HA 0.508 4.712 4.170 0.058 0.000 0.303 549 I C 0.235 176.256 176.117 -0.160 0.000 0.983 549 I CA -0.708 60.502 61.300 -0.150 0.000 1.235 549 I CB 1.642 39.477 38.000 -0.275 0.000 1.386 549 I HN 0.407 nan 8.210 nan 0.000 0.494 550 T N 3.996 118.461 114.554 -0.147 0.000 2.890 550 T HA 0.641 5.025 4.350 0.058 0.000 0.295 550 T C -0.349 174.169 174.700 -0.302 0.000 0.993 550 T CA -0.536 61.437 62.100 -0.212 0.000 0.979 550 T CB 1.589 70.362 68.868 -0.159 0.000 0.967 550 T HN 0.707 nan 8.240 nan 0.000 0.441 551 A N 2.918 125.545 122.820 -0.321 0.000 2.282 551 A HA 0.982 5.337 4.320 0.058 0.000 0.324 551 A C -1.652 175.662 177.584 -0.449 0.000 1.119 551 A CA -0.795 51.112 52.037 -0.217 0.000 0.880 551 A CB 1.020 19.993 19.000 -0.045 0.000 1.294 551 A HN 0.793 nan 8.150 nan 0.000 0.493 552 Y N -1.267 119.167 120.300 0.224 0.000 2.482 552 Y HA 0.522 5.106 4.550 0.058 0.000 0.334 552 Y C -0.652 175.363 175.900 0.193 0.000 1.091 552 Y CA -0.455 57.771 58.100 0.210 0.000 1.027 552 Y CB 1.969 40.485 38.460 0.093 0.000 1.306 552 Y HN 0.751 nan 8.280 nan 0.000 0.446 553 L N 2.227 123.682 121.223 0.387 0.000 2.346 553 L HA 0.889 5.263 4.340 0.058 0.000 0.276 553 L C -0.856 176.137 176.870 0.205 0.000 1.006 553 L CA -0.344 54.649 54.840 0.256 0.000 0.817 553 L CB 1.811 44.063 42.059 0.322 0.000 1.272 553 L HN 0.639 nan 8.230 nan 0.000 0.421 554 S N 3.635 119.459 115.700 0.206 0.000 2.776 554 S HA 0.789 5.294 4.470 0.058 0.000 0.284 554 S C -0.843 173.877 174.600 0.200 0.000 1.160 554 S CA -0.332 57.967 58.200 0.165 0.000 1.051 554 S CB 1.323 64.622 63.200 0.165 0.000 1.037 554 S HN 0.878 nan 8.310 nan 0.000 0.485 555 A N 5.046 127.875 122.820 0.015 0.000 2.288 555 A HA 0.752 5.106 4.320 0.058 0.000 0.320 555 A C -0.189 177.331 177.584 -0.107 0.000 1.217 555 A CA -0.726 51.245 52.037 -0.111 0.000 0.840 555 A CB 0.606 19.340 19.000 -0.443 0.000 1.179 555 A HN 0.856 nan 8.150 nan 0.000 0.504 556 N N 1.338 120.118 118.700 0.134 0.000 2.381 556 N HA 0.540 5.315 4.740 0.058 0.000 0.294 556 N C -1.296 174.398 175.510 0.307 0.000 1.216 556 N CA -0.588 52.612 53.050 0.249 0.000 0.803 556 N CB 1.978 40.558 38.487 0.156 0.000 1.372 556 N HN 0.517 nan 8.380 nan 0.000 0.500 557 I N 1.237 121.946 120.570 0.232 0.000 2.354 557 I HA 0.236 4.440 4.170 0.058 0.000 0.292 557 I C 0.263 176.397 176.117 0.028 0.000 0.989 557 I CA -0.285 61.060 61.300 0.075 0.000 1.188 557 I CB 1.540 39.546 38.000 0.010 0.000 1.342 557 I HN 0.586 nan 8.210 nan 0.000 0.457 558 T N 2.124 116.682 114.554 0.007 0.000 2.901 558 T HA 0.603 4.988 4.350 0.058 0.000 0.293 558 T C -0.361 174.332 174.700 -0.012 0.000 1.084 558 T CA -0.690 61.436 62.100 0.042 0.000 1.008 558 T CB 1.486 70.437 68.868 0.138 0.000 1.170 558 T HN 0.089 nan 8.240 nan 0.000 0.509 559 F N 0.937 120.897 119.950 0.018 0.000 2.399 559 F HA 0.308 4.869 4.527 0.057 0.000 0.313 559 F C 1.836 177.663 175.800 0.045 0.000 1.202 559 F CA -0.719 57.302 58.000 0.035 0.000 1.192 559 F CB 0.261 39.239 39.000 -0.036 0.000 1.256 559 F HN 0.850 nan 8.300 nan 0.000 0.558 560 Y N -1.092 119.323 120.300 0.191 0.000 2.403 560 Y HA -0.109 4.476 4.550 0.059 0.000 0.291 560 Y C 2.007 177.883 175.900 -0.041 0.000 1.143 560 Y CA 1.067 59.233 58.100 0.111 0.000 1.257 560 Y CB -1.846 36.689 38.460 0.124 0.000 0.984 560 Y HN 0.541 nan 8.280 nan 0.000 0.550 561 T N -3.248 110.832 114.554 -0.790 0.000 3.072 561 T HA 0.241 4.625 4.350 0.058 0.000 0.266 561 T C 1.775 176.156 174.700 -0.531 0.000 1.127 561 T CA 0.763 62.065 62.100 -1.330 0.000 1.107 561 T CB -0.735 67.060 68.868 -1.788 0.000 0.910 561 T HN 0.983 nan 8.240 nan 0.000 0.513 562 G N 0.258 108.990 108.800 -0.113 0.000 2.175 562 G HA2 -0.215 3.780 3.960 0.058 0.000 0.244 562 G HA3 -0.215 3.780 3.960 0.058 0.000 0.244 562 G C 0.051 174.988 174.900 0.061 0.000 0.982 562 G CA -0.141 45.012 45.100 0.089 0.000 0.641 562 G HN 0.680 nan 8.290 nan 0.000 0.527 563 V N 2.481 122.409 119.914 0.023 0.000 2.508 563 V HA 0.372 4.527 4.120 0.058 0.000 0.281 563 V C -1.449 174.776 176.094 0.219 0.000 1.041 563 V CA -0.988 61.353 62.300 0.069 0.000 1.016 563 V CB 1.312 33.088 31.823 -0.078 0.000 0.984 563 V HN 0.132 nan 8.190 nan 0.000 0.478 564 P HA 0.196 nan 4.420 nan 0.000 0.271 564 P C 0.089 177.492 177.300 0.172 0.000 1.216 564 P CA -0.265 62.915 63.100 0.134 0.000 0.771 564 P CB 0.944 32.696 31.700 0.088 0.000 0.864 565 K N 2.700 123.173 120.400 0.122 0.000 2.329 565 K HA 0.519 4.873 4.320 0.058 0.000 0.198 565 K C -0.034 176.616 176.600 0.083 0.000 1.085 565 K CA 0.497 56.840 56.287 0.093 0.000 0.961 565 K CB 0.451 32.921 32.500 -0.050 0.000 0.971 565 K HN 0.474 nan 8.250 nan 0.000 0.502 566 A N -0.180 122.698 122.820 0.097 0.000 2.522 566 A HA 0.411 4.766 4.320 0.058 0.000 0.291 566 A C -1.774 175.906 177.584 0.160 0.000 1.039 566 A CA -0.678 51.427 52.037 0.114 0.000 0.643 566 A CB 0.587 19.653 19.000 0.109 0.000 1.310 566 A HN 0.110 nan 8.150 nan 0.000 0.436 567 E N 0.641 120.924 120.200 0.137 0.000 2.073 567 E HA 0.495 4.880 4.350 0.058 0.000 0.269 567 E C 0.013 176.694 176.600 0.135 0.000 0.917 567 E CA -0.603 55.865 56.400 0.112 0.000 0.757 567 E CB 0.263 29.994 29.700 0.052 0.000 1.111 567 E HN 0.673 nan 8.360 nan 0.000 0.410 568 F N 3.839 123.843 119.950 0.091 0.000 2.743 568 F HA 0.348 4.910 4.527 0.058 0.000 0.297 568 F C 0.204 176.068 175.800 0.107 0.000 1.131 568 F CA -0.313 57.748 58.000 0.101 0.000 1.426 568 F CB 0.270 39.350 39.000 0.133 0.000 1.116 568 F HN 0.154 nan 8.300 nan 0.000 0.583 569 K N 0.942 121.042 120.400 -0.498 0.000 2.571 569 K HA 0.375 4.730 4.320 0.058 0.000 0.252 569 K C -1.741 174.745 176.600 -0.191 0.000 0.956 569 K CA -0.711 55.377 56.287 -0.331 0.000 0.822 569 K CB 1.512 33.756 32.500 -0.427 0.000 1.286 569 K HN -0.018 nan 8.250 nan 0.000 0.439 570 K N 2.137 122.492 120.400 -0.075 0.000 2.267 570 K HA 0.521 4.875 4.320 0.058 0.000 0.246 570 K C -1.744 174.852 176.600 -0.008 0.000 0.954 570 K CA -0.415 55.867 56.287 -0.009 0.000 0.824 570 K CB 1.859 34.363 32.500 0.005 0.000 1.167 570 K HN 0.550 nan 8.250 nan 0.000 0.431 571 E N 0.814 121.036 120.200 0.036 0.000 2.522 571 E HA 0.170 4.554 4.350 0.058 0.000 0.315 571 E C -1.785 174.777 176.600 -0.064 0.000 0.917 571 E CA -0.354 56.000 56.400 -0.077 0.000 0.796 571 E CB 0.825 30.438 29.700 -0.145 0.000 1.323 571 E HN 0.646 nan 8.360 nan 0.000 0.397 572 T N 0.948 115.426 114.554 -0.128 0.000 2.907 572 T HA 0.757 5.142 4.350 0.058 0.000 0.284 572 T C -0.344 174.154 174.700 -0.336 0.000 1.004 572 T CA -0.334 61.695 62.100 -0.119 0.000 1.063 572 T CB 0.366 69.192 68.868 -0.069 0.000 0.992 572 T HN 0.182 nan 8.240 nan 0.000 0.483 573 F N 0.236 120.046 119.950 -0.233 0.000 2.598 573 F HA 0.590 5.152 4.527 0.058 0.000 0.327 573 F C 0.330 175.997 175.800 -0.221 0.000 1.057 573 F CA -1.287 56.609 58.000 -0.173 0.000 0.957 573 F CB 1.958 40.883 39.000 -0.125 0.000 1.278 573 F HN 0.541 nan 8.300 nan 0.000 0.484 574 D N 1.466 121.880 120.400 0.022 0.000 2.402 574 D HA 0.401 5.076 4.640 0.058 0.000 0.252 574 D C -1.423 174.825 176.300 -0.086 0.000 1.294 574 D CA 0.085 54.046 54.000 -0.066 0.000 0.948 574 D CB 2.197 42.957 40.800 -0.066 0.000 1.202 574 D HN 0.122 nan 8.370 nan 0.000 0.561 575 V N 1.888 121.695 119.914 -0.177 0.000 2.513 575 V HA 0.470 4.624 4.120 0.058 0.000 0.299 575 V C 0.440 176.417 176.094 -0.196 0.000 1.035 575 V CA -0.424 61.727 62.300 -0.249 0.000 0.889 575 V CB 2.064 33.550 31.823 -0.562 0.000 0.988 575 V HN 0.381 nan 8.190 nan 0.000 0.440 576 T N 6.115 120.587 114.554 -0.136 0.000 2.779 576 T HA 0.641 5.026 4.350 0.058 0.000 0.280 576 T C -0.450 174.202 174.700 -0.079 0.000 0.987 576 T CA -0.329 61.723 62.100 -0.080 0.000 0.966 576 T CB 0.914 69.751 68.868 -0.051 0.000 0.933 576 T HN 0.352 nan 8.240 nan 0.000 0.442 577 L N 3.251 124.449 121.223 -0.041 0.000 2.313 577 L HA 0.474 4.848 4.340 0.058 0.000 0.283 577 L C 0.417 177.271 176.870 -0.026 0.000 1.013 577 L CA -1.040 53.789 54.840 -0.019 0.000 0.816 577 L CB 1.455 43.542 42.059 0.048 0.000 1.236 577 L HN 0.491 nan 8.230 nan 0.000 0.419 578 E N 4.259 124.446 120.200 -0.022 0.000 2.342 578 E HA 0.333 4.718 4.350 0.058 0.000 0.257 578 E C -2.301 174.274 176.600 -0.042 0.000 1.150 578 E CA -1.797 54.583 56.400 -0.033 0.000 0.926 578 E CB 0.482 30.174 29.700 -0.013 0.000 1.074 578 E HN 0.291 nan 8.360 nan 0.000 0.449 579 P HA 0.074 nan 4.420 nan 0.000 0.275 579 P C -0.064 177.207 177.300 -0.049 0.000 1.228 579 P CA -0.307 62.749 63.100 -0.072 0.000 0.786 579 P CB 0.660 32.329 31.700 -0.051 0.000 0.927 580 L N -0.754 120.430 121.223 -0.065 0.000 3.737 580 L HA -0.205 4.170 4.340 0.058 0.000 0.418 580 L C 0.723 177.611 176.870 0.029 0.000 1.216 580 L CA 1.151 55.966 54.840 -0.042 0.000 0.915 580 L CB -2.829 39.173 42.059 -0.094 0.000 1.834 580 L HN 0.464 nan 8.230 nan 0.000 0.943 581 S N -0.777 114.959 115.700 0.060 0.000 2.654 581 S HA 0.791 5.296 4.470 0.058 0.000 0.283 581 S C -0.636 174.088 174.600 0.207 0.000 1.180 581 S CA -0.451 57.810 58.200 0.101 0.000 1.021 581 S CB 1.227 64.460 63.200 0.055 0.000 1.018 581 S HN 0.242 nan 8.310 nan 0.000 0.532 582 F N 3.014 122.989 119.950 0.043 0.000 3.034 582 F HA 0.496 5.058 4.527 0.058 0.000 0.371 582 F C -0.825 175.019 175.800 0.073 0.000 1.233 582 F CA -0.483 57.555 58.000 0.062 0.000 1.134 582 F CB 0.756 39.779 39.000 0.038 0.000 1.495 582 F HN 0.515 nan 8.300 nan 0.000 0.563 583 K N 4.725 124.906 120.400 -0.366 0.000 2.203 583 K HA 0.511 4.866 4.320 0.058 0.000 0.251 583 K C -1.151 175.227 176.600 -0.370 0.000 0.944 583 K CA -1.163 54.962 56.287 -0.270 0.000 0.829 583 K CB 2.736 35.179 32.500 -0.095 0.000 1.125 583 K HN 0.514 nan 8.250 nan 0.000 0.430 584 K N 2.208 122.465 120.400 -0.240 0.000 2.378 584 K HA 0.225 4.579 4.320 0.058 0.000 0.252 584 K C -1.067 175.516 176.600 -0.030 0.000 0.931 584 K CA -0.536 55.651 56.287 -0.166 0.000 0.794 584 K CB 1.423 33.830 32.500 -0.154 0.000 1.181 584 K HN 0.482 nan 8.250 nan 0.000 0.425 585 E N 1.399 121.606 120.200 0.012 0.000 2.277 585 E HA 0.546 4.930 4.350 0.058 0.000 0.266 585 E C -1.372 175.273 176.600 0.075 0.000 0.901 585 E CA -1.043 55.403 56.400 0.076 0.000 0.782 585 E CB 2.158 31.948 29.700 0.149 0.000 1.228 585 E HN 0.637 nan 8.360 nan 0.000 0.424 586 A N 1.823 124.705 122.820 0.103 0.000 2.335 586 A HA 0.553 4.908 4.320 0.058 0.000 0.304 586 A C -0.687 176.964 177.584 0.111 0.000 1.118 586 A CA -0.597 51.493 52.037 0.089 0.000 0.757 586 A CB 1.053 20.090 19.000 0.062 0.000 1.188 586 A HN 0.294 nan 8.150 nan 0.000 0.460 587 V N 2.570 122.553 119.914 0.116 0.000 2.834 587 V HA 0.636 4.791 4.120 0.058 0.000 0.313 587 V C -0.605 175.519 176.094 0.051 0.000 1.060 587 V CA -0.455 61.907 62.300 0.103 0.000 0.989 587 V CB 1.613 33.532 31.823 0.160 0.000 1.041 587 V HN 0.815 nan 8.190 nan 0.000 0.459 588 L N 3.675 124.909 121.223 0.019 0.000 2.362 588 L HA 0.681 5.056 4.340 0.058 0.000 0.275 588 L C -0.795 176.041 176.870 -0.056 0.000 0.998 588 L CA -0.488 54.340 54.840 -0.019 0.000 0.820 588 L CB 1.452 43.503 42.059 -0.013 0.000 1.270 588 L HN 0.208 nan 8.230 nan 0.000 0.415 589 I N 2.433 122.890 120.570 -0.189 0.000 2.330 589 I HA 0.380 4.584 4.170 0.058 0.000 0.289 589 I C -0.020 175.953 176.117 -0.240 0.000 1.001 589 I CA -0.127 61.042 61.300 -0.218 0.000 1.193 589 I CB 1.226 38.900 38.000 -0.544 0.000 1.345 589 I HN 0.803 nan 8.210 nan 0.000 0.461 590 Q N 3.976 123.739 119.800 -0.063 0.000 2.235 590 Q HA 0.418 4.793 4.340 0.058 0.000 0.250 590 Q C 0.838 176.743 176.000 -0.158 0.000 0.909 590 Q CA -0.196 55.558 55.803 -0.081 0.000 0.910 590 Q CB 2.336 31.043 28.738 -0.052 0.000 1.223 590 Q HN 0.797 nan 8.270 nan 0.000 0.432 591 A N 3.626 126.293 122.820 -0.254 0.000 1.927 591 A HA -0.215 4.139 4.320 0.058 0.000 0.220 591 A C 1.692 178.793 177.584 -0.805 0.000 1.185 591 A CA 2.234 53.848 52.037 -0.704 0.000 0.639 591 A CB -1.079 17.721 19.000 -0.333 0.000 0.820 591 A HN 0.916 nan 8.150 nan 0.000 0.451 592 G N -0.927 107.657 108.800 -0.359 0.000 2.498 592 G HA2 -0.146 3.849 3.960 0.058 0.000 0.219 592 G HA3 -0.146 3.849 3.960 0.058 0.000 0.219 592 G C 1.253 176.054 174.900 -0.164 0.000 1.119 592 G CA 0.803 45.762 45.100 -0.235 0.000 0.766 592 G HN 0.706 nan 8.290 nan 0.000 0.552 593 E N -0.882 119.249 120.200 -0.114 0.000 2.418 593 E HA -0.048 4.337 4.350 0.058 0.000 0.197 593 E C 1.556 178.271 176.600 0.191 0.000 1.026 593 E CA 0.922 57.403 56.400 0.136 0.000 0.862 593 E CB 0.000 29.888 29.700 0.313 0.000 0.799 593 E HN 0.880 nan 8.360 nan 0.000 0.518 594 Y N -4.246 116.014 120.300 -0.067 0.000 2.619 594 Y HA 0.251 4.836 4.550 0.057 0.000 0.273 594 Y C 1.812 177.627 175.900 -0.143 0.000 1.175 594 Y CA -0.400 57.533 58.100 -0.279 0.000 1.157 594 Y CB -0.323 37.779 38.460 -0.597 0.000 1.329 594 Y HN -0.200 nan 8.280 nan 0.000 0.503 595 M N 1.786 121.229 119.600 -0.263 0.000 2.255 595 M HA -0.140 4.375 4.480 0.058 0.000 0.259 595 M C 2.050 178.344 176.300 -0.009 0.000 1.071 595 M CA 1.775 57.039 55.300 -0.061 0.000 1.074 595 M CB -1.490 30.988 32.600 -0.202 0.000 1.384 595 M HN 0.676 nan 8.290 nan 0.000 0.415 596 G N -0.024 108.758 108.800 -0.030 0.000 2.408 596 G HA2 -0.173 3.822 3.960 0.058 0.000 0.217 596 G HA3 -0.173 3.822 3.960 0.058 0.000 0.217 596 G C 0.893 175.800 174.900 0.012 0.000 1.150 596 G CA 0.530 45.628 45.100 -0.004 0.000 0.776 596 G HN 0.568 nan 8.290 nan 0.000 0.542 597 Q N -0.166 119.646 119.800 0.020 0.000 2.155 597 Q HA 0.484 4.859 4.340 0.058 0.000 0.273 597 Q C 0.124 176.110 176.000 -0.023 0.000 0.857 597 Q CA -0.267 55.539 55.803 0.006 0.000 1.116 597 Q CB 0.604 29.357 28.738 0.025 0.000 1.209 597 Q HN 0.284 nan 8.270 nan 0.000 0.460 598 L N 0.766 121.985 121.223 -0.008 0.000 2.473 598 L HA 0.294 4.669 4.340 0.058 0.000 0.268 598 L C -0.124 176.698 176.870 -0.079 0.000 1.215 598 L CA -0.201 54.616 54.840 -0.039 0.000 0.823 598 L CB 0.538 42.605 42.059 0.013 0.000 1.099 598 L HN 0.273 nan 8.230 nan 0.000 0.483 599 L N 0.869 122.017 121.223 -0.126 0.000 2.322 599 L HA 0.222 4.597 4.340 0.058 0.000 0.269 599 L C 1.320 178.138 176.870 -0.087 0.000 1.012 599 L CA -0.601 54.135 54.840 -0.173 0.000 0.815 599 L CB 1.699 43.530 42.059 -0.380 0.000 1.295 599 L HN 0.695 nan 8.230 nan 0.000 0.438 600 E N 0.462 120.641 120.200 -0.036 0.000 2.196 600 E HA -0.375 4.009 4.350 0.058 0.000 0.222 600 E C 0.906 177.460 176.600 -0.077 0.000 1.072 600 E CA 2.035 58.438 56.400 0.004 0.000 0.902 600 E CB -0.246 29.513 29.700 0.099 0.000 0.780 600 E HN 0.684 nan 8.360 nan 0.000 0.467 601 Q N 0.103 119.829 119.800 -0.123 0.000 2.320 601 Q HA 0.322 4.697 4.340 0.058 0.000 0.201 601 Q C 0.318 176.288 176.000 -0.050 0.000 0.910 601 Q CA 0.344 56.021 55.803 -0.210 0.000 0.946 601 Q CB 0.740 29.321 28.738 -0.261 0.000 1.062 601 Q HN 0.493 nan 8.270 nan 0.000 0.503 602 A N 0.901 123.697 122.820 -0.040 0.000 2.800 602 A HA -0.171 4.184 4.320 0.058 0.000 0.292 602 A C 0.056 177.614 177.584 -0.043 0.000 1.474 602 A CA 0.437 52.449 52.037 -0.043 0.000 0.744 602 A CB -2.015 16.972 19.000 -0.021 0.000 1.044 602 A HN 0.280 nan 8.150 nan 0.000 0.489 603 S N -1.059 114.629 115.700 -0.020 0.000 2.610 603 S HA 0.795 5.300 4.470 0.058 0.000 0.273 603 S C -0.233 174.346 174.600 -0.035 0.000 1.274 603 S CA -0.380 57.832 58.200 0.020 0.000 1.023 603 S CB 1.447 64.708 63.200 0.101 0.000 0.962 603 S HN 0.838 nan 8.310 nan 0.000 0.523 604 L N 2.318 123.523 121.223 -0.029 0.000 2.482 604 L HA 0.421 4.796 4.340 0.058 0.000 0.263 604 L C -0.847 175.904 176.870 -0.197 0.000 0.957 604 L CA -0.287 54.484 54.840 -0.115 0.000 0.836 604 L CB 1.954 43.941 42.059 -0.121 0.000 1.324 604 L HN 0.742 nan 8.230 nan 0.000 0.406 605 H N 3.239 122.100 119.070 -0.348 0.000 2.489 605 H HA 0.583 5.173 4.556 0.058 0.000 0.343 605 H C -1.708 173.309 175.328 -0.517 0.000 1.086 605 H CA -0.453 55.417 56.048 -0.296 0.000 1.198 605 H CB 1.262 30.980 29.762 -0.073 0.000 1.490 605 H HN 0.349 nan 8.280 nan 0.000 0.504 606 F N 4.697 124.732 119.950 0.141 0.000 2.507 606 F HA 0.363 4.925 4.527 0.058 0.000 0.325 606 F C -0.636 175.291 175.800 0.212 0.000 1.116 606 F CA -0.719 57.433 58.000 0.253 0.000 0.930 606 F CB 1.159 40.321 39.000 0.270 0.000 1.146 606 F HN 0.309 nan 8.300 nan 0.000 0.447 607 F N 2.042 122.233 119.950 0.402 0.000 2.508 607 F HA 0.786 5.347 4.527 0.058 0.000 0.325 607 F C -0.662 175.189 175.800 0.086 0.000 1.090 607 F CA -1.263 56.908 58.000 0.285 0.000 0.945 607 F CB 2.094 41.233 39.000 0.233 0.000 1.156 607 F HN 0.081 nan 8.300 nan 0.000 0.463 608 V N 2.492 122.587 119.914 0.301 0.000 2.612 608 V HA 0.570 4.724 4.120 0.058 0.000 0.301 608 V C -0.743 175.416 176.094 0.108 0.000 1.059 608 V CA -0.766 61.570 62.300 0.060 0.000 0.886 608 V CB 2.012 33.654 31.823 -0.301 0.000 1.007 608 V HN 0.841 nan 8.190 nan 0.000 0.426 609 T N 1.443 116.070 114.554 0.123 0.000 2.906 609 T HA 0.982 5.367 4.350 0.058 0.000 0.295 609 T C -0.433 174.362 174.700 0.159 0.000 1.075 609 T CA -0.573 61.583 62.100 0.093 0.000 1.005 609 T CB 2.490 71.394 68.868 0.060 0.000 1.136 609 T HN 1.269 nan 8.240 nan 0.000 0.498 610 A N 1.140 124.028 122.820 0.113 0.000 2.594 610 A HA 0.883 5.237 4.320 0.058 0.000 0.291 610 A C -1.051 176.577 177.584 0.073 0.000 1.105 610 A CA -1.062 51.037 52.037 0.103 0.000 0.694 610 A CB 1.821 20.894 19.000 0.122 0.000 1.291 610 A HN 0.895 nan 8.150 nan 0.000 0.410 611 R N 1.280 121.808 120.500 0.045 0.000 2.561 611 R HA 0.510 4.885 4.340 0.058 0.000 0.297 611 R C -1.507 174.770 176.300 -0.038 0.000 0.969 611 R CA -0.744 55.369 56.100 0.022 0.000 0.879 611 R CB 1.044 31.387 30.300 0.071 0.000 1.178 611 R HN 0.590 nan 8.270 nan 0.000 0.445 612 I N 5.357 125.875 120.570 -0.086 0.000 2.268 612 I HA 0.047 4.252 4.170 0.058 0.000 0.290 612 I C 1.278 177.337 176.117 -0.097 0.000 1.125 612 I CA -0.340 60.861 61.300 -0.165 0.000 1.236 612 I CB 0.077 37.852 38.000 -0.376 0.000 1.469 612 I HN 0.639 nan 8.210 nan 0.000 0.512 613 N N 3.618 122.296 118.700 -0.036 0.000 2.165 613 N HA -0.270 4.504 4.740 0.058 0.000 0.198 613 N C 1.257 176.778 175.510 0.018 0.000 0.999 613 N CA 1.916 54.967 53.050 0.001 0.000 0.893 613 N CB 0.339 38.834 38.487 0.013 0.000 1.025 613 N HN 0.547 nan 8.380 nan 0.000 0.456 614 E N -0.566 119.658 120.200 0.040 0.000 2.006 614 E HA -0.077 4.308 4.350 0.058 0.000 0.192 614 E C 2.205 178.831 176.600 0.044 0.000 0.993 614 E CA 1.831 58.281 56.400 0.083 0.000 0.808 614 E CB -0.732 29.104 29.700 0.226 0.000 0.764 614 E HN 0.567 nan 8.360 nan 0.000 0.449 615 T N -2.442 112.108 114.554 -0.007 0.000 3.081 615 T HA 0.163 4.548 4.350 0.058 0.000 0.255 615 T C 0.610 175.294 174.700 -0.027 0.000 1.113 615 T CA 0.371 62.461 62.100 -0.017 0.000 1.082 615 T CB -0.012 68.825 68.868 -0.052 0.000 0.939 615 T HN 0.145 nan 8.240 nan 0.000 0.506 616 R N 0.452 120.931 120.500 -0.037 0.000 3.963 616 R HA -0.101 4.273 4.340 0.058 0.000 0.394 616 R C -1.110 175.177 176.300 -0.023 0.000 1.131 616 R CA 0.830 56.920 56.100 -0.018 0.000 1.059 616 R CB -2.235 28.067 30.300 0.003 0.000 1.614 616 R HN 0.432 nan 8.270 nan 0.000 0.546 617 D N 0.391 120.757 120.400 -0.056 0.000 2.414 617 D HA 0.204 4.879 4.640 0.058 0.000 0.242 617 D C 0.122 176.403 176.300 -0.031 0.000 1.129 617 D CA 0.297 54.269 54.000 -0.046 0.000 0.885 617 D CB 0.997 41.748 40.800 -0.081 0.000 1.198 617 D HN -0.122 nan 8.370 nan 0.000 0.437 618 V N 3.407 123.313 119.914 -0.012 0.000 2.417 618 V HA 0.337 4.491 4.120 0.058 0.000 0.291 618 V C 0.260 176.333 176.094 -0.035 0.000 1.024 618 V CA -0.752 61.543 62.300 -0.009 0.000 0.861 618 V CB 1.393 33.218 31.823 0.004 0.000 0.985 618 V HN 0.285 nan 8.190 nan 0.000 0.436 619 L N 4.334 125.535 121.223 -0.036 0.000 2.317 619 L HA 0.915 5.289 4.340 0.058 0.000 0.281 619 L C 0.194 176.987 176.870 -0.129 0.000 1.024 619 L CA -0.349 54.457 54.840 -0.056 0.000 0.810 619 L CB 1.694 43.755 42.059 0.004 0.000 1.240 619 L HN 0.750 nan 8.230 nan 0.000 0.427 620 A N 3.204 125.877 122.820 -0.244 0.000 2.469 620 A HA 0.974 5.328 4.320 0.058 0.000 0.299 620 A C -1.092 176.377 177.584 -0.192 0.000 1.098 620 A CA -0.599 51.199 52.037 -0.398 0.000 0.737 620 A CB 2.217 20.460 19.000 -1.262 0.000 1.312 620 A HN 0.500 nan 8.150 nan 0.000 0.414 621 K N 0.433 120.827 120.400 -0.010 0.000 2.600 621 K HA 0.313 4.667 4.320 0.058 0.000 0.262 621 K C -1.824 174.958 176.600 0.303 0.000 0.935 621 K CA -0.156 56.210 56.287 0.132 0.000 0.866 621 K CB 1.692 34.332 32.500 0.233 0.000 1.354 621 K HN 1.070 nan 8.250 nan 0.000 0.419 622 Q N 1.672 121.537 119.800 0.108 0.000 2.379 622 Q HA 0.717 5.092 4.340 0.058 0.000 0.278 622 Q C -1.098 174.839 176.000 -0.105 0.000 1.068 622 Q CA -1.063 54.742 55.803 0.004 0.000 0.816 622 Q CB 3.106 31.598 28.738 -0.409 0.000 1.387 622 Q HN 0.368 nan 8.270 nan 0.000 0.413 623 K N 0.570 120.955 120.400 -0.025 0.000 2.499 623 K HA 0.736 5.090 4.320 0.058 0.000 0.277 623 K C -1.308 175.310 176.600 0.031 0.000 1.025 623 K CA -0.870 55.434 56.287 0.028 0.000 0.900 623 K CB 2.600 35.057 32.500 -0.071 0.000 1.494 623 K HN 0.752 nan 8.250 nan 0.000 0.442 624 S N 0.075 115.898 115.700 0.206 0.000 2.588 624 S HA 0.678 5.183 4.470 0.058 0.000 0.275 624 S C -1.212 173.508 174.600 0.199 0.000 1.130 624 S CA -0.882 57.422 58.200 0.174 0.000 0.855 624 S CB 2.065 65.399 63.200 0.224 0.000 1.116 624 S HN 0.733 nan 8.310 nan 0.000 0.472 625 T N -1.759 112.895 114.554 0.167 0.000 2.853 625 T HA 0.778 5.162 4.350 0.058 0.000 0.311 625 T C -0.951 173.759 174.700 0.017 0.000 1.307 625 T CA -0.903 61.242 62.100 0.075 0.000 1.019 625 T CB 0.873 69.775 68.868 0.057 0.000 1.264 625 T HN 0.859 nan 8.240 nan 0.000 0.497 626 V N -0.240 119.652 119.914 -0.036 0.000 2.769 626 V HA 0.729 4.884 4.120 0.058 0.000 0.312 626 V C -0.402 175.636 176.094 -0.093 0.000 1.061 626 V CA -1.341 60.936 62.300 -0.038 0.000 0.931 626 V CB 1.399 33.231 31.823 0.015 0.000 1.010 626 V HN 0.992 nan 8.190 nan 0.000 0.433 627 L N 2.411 123.577 121.223 -0.096 0.000 2.305 627 L HA 0.415 4.789 4.340 0.058 0.000 0.281 627 L C 0.738 177.595 176.870 -0.021 0.000 1.085 627 L CA -0.052 54.733 54.840 -0.092 0.000 0.813 627 L CB 1.325 43.329 42.059 -0.093 0.000 1.157 627 L HN 0.778 nan 8.230 nan 0.000 0.436 628 T N 4.438 118.984 114.554 -0.013 0.000 2.888 628 T HA 0.350 4.735 4.350 0.058 0.000 0.301 628 T C 0.107 174.837 174.700 0.049 0.000 1.001 628 T CA 0.068 62.178 62.100 0.015 0.000 1.147 628 T CB 0.133 69.004 68.868 0.005 0.000 0.931 628 T HN 0.260 nan 8.240 nan 0.000 0.541 629 I N 5.576 126.187 120.570 0.068 0.000 2.377 629 I HA 0.347 4.551 4.170 0.058 0.000 0.293 629 I C -1.743 174.433 176.117 0.098 0.000 0.987 629 I CA -2.590 58.763 61.300 0.088 0.000 1.185 629 I CB 1.411 39.461 38.000 0.083 0.000 1.341 629 I HN 0.427 nan 8.210 nan 0.000 0.455 630 P HA 0.097 nan 4.420 nan 0.000 0.271 630 P C -0.565 176.849 177.300 0.191 0.000 1.216 630 P CA -0.232 62.946 63.100 0.131 0.000 0.771 630 P CB 0.658 32.424 31.700 0.110 0.000 0.864 631 E N 2.958 123.244 120.200 0.144 0.000 2.421 631 E HA 0.316 4.700 4.350 0.058 0.000 0.253 631 E C -0.228 176.505 176.600 0.222 0.000 1.277 631 E CA -0.771 55.716 56.400 0.145 0.000 0.968 631 E CB 0.461 30.221 29.700 0.100 0.000 1.040 631 E HN 0.347 nan 8.360 nan 0.000 0.512 632 I N 0.927 121.598 120.570 0.168 0.000 2.392 632 I HA 0.176 4.381 4.170 0.058 0.000 0.295 632 I C -0.232 175.974 176.117 0.150 0.000 0.985 632 I CA -0.993 60.434 61.300 0.210 0.000 1.221 632 I CB 1.272 39.337 38.000 0.108 0.000 1.366 632 I HN 0.472 nan 8.210 nan 0.000 0.467 633 I N 7.261 127.924 120.570 0.154 0.000 2.325 633 I HA 0.334 4.538 4.170 0.058 0.000 0.291 633 I C 0.017 176.182 176.117 0.080 0.000 1.019 633 I CA -0.222 61.136 61.300 0.096 0.000 1.302 633 I CB 0.983 39.028 38.000 0.076 0.000 1.401 633 I HN 0.348 nan 8.210 nan 0.000 0.485 634 I N 8.276 128.875 120.570 0.049 0.000 2.389 634 I HA 0.303 4.508 4.170 0.058 0.000 0.288 634 I C -0.240 175.878 176.117 0.002 0.000 0.999 634 I CA -0.689 60.625 61.300 0.022 0.000 1.129 634 I CB 1.221 39.223 38.000 0.004 0.000 1.288 634 I HN 0.475 nan 8.210 nan 0.000 0.444 635 K N 6.269 126.665 120.400 -0.006 0.000 2.468 635 K HA 0.804 5.159 4.320 0.058 0.000 0.252 635 K C -1.150 175.432 176.600 -0.031 0.000 0.932 635 K CA -0.808 55.470 56.287 -0.015 0.000 0.794 635 K CB 2.705 35.203 32.500 -0.003 0.000 1.241 635 K HN 0.362 nan 8.250 nan 0.000 0.428 636 V N -0.749 119.142 119.914 -0.037 0.000 2.960 636 V HA 0.730 4.884 4.120 0.058 0.000 0.315 636 V C -0.911 175.161 176.094 -0.036 0.000 1.087 636 V CA -1.067 61.205 62.300 -0.047 0.000 0.982 636 V CB 1.724 33.510 31.823 -0.062 0.000 1.039 636 V HN 0.926 nan 8.190 nan 0.000 0.437 637 R N 1.080 121.558 120.500 -0.037 0.000 2.740 637 R HA 0.875 5.250 4.340 0.058 0.000 0.273 637 R C 0.069 176.351 176.300 -0.030 0.000 0.998 637 R CA -0.157 55.927 56.100 -0.028 0.000 0.900 637 R CB 2.129 32.416 30.300 -0.021 0.000 1.223 637 R HN 1.732 nan 8.270 nan 0.000 0.466 638 G N 0.134 108.920 108.800 -0.025 0.000 2.337 638 G HA2 -0.159 3.835 3.960 0.058 0.000 0.197 638 G HA3 -0.159 3.835 3.960 0.058 0.000 0.197 638 G C -1.157 173.730 174.900 -0.023 0.000 1.238 638 G CA -0.585 44.501 45.100 -0.023 0.000 1.119 638 G HN 0.600 nan 8.290 nan 0.000 0.514 639 T N -0.973 113.568 114.554 -0.022 0.000 2.781 639 T HA 0.562 4.947 4.350 0.058 0.000 0.305 639 T C 0.231 174.915 174.700 -0.027 0.000 1.001 639 T CA -0.230 61.858 62.100 -0.020 0.000 0.950 639 T CB 1.672 70.532 68.868 -0.013 0.000 0.955 639 T HN 0.582 nan 8.240 nan 0.000 0.471 640 Q N 2.350 122.131 119.800 -0.030 0.000 3.223 640 Q HA 0.368 4.743 4.340 0.058 0.000 0.299 640 Q C -0.738 175.243 176.000 -0.031 0.000 1.385 640 Q CA -0.093 55.686 55.803 -0.040 0.000 0.942 640 Q CB -0.298 28.413 28.738 -0.044 0.000 1.748 640 Q HN 0.599 nan 8.270 nan 0.000 0.523 641 V N 0.605 120.505 119.914 -0.024 0.000 2.789 641 V HA 0.331 4.486 4.120 0.058 0.000 0.311 641 V C -0.114 175.978 176.094 -0.004 0.000 1.073 641 V CA -1.070 61.223 62.300 -0.012 0.000 0.921 641 V CB 2.251 34.071 31.823 -0.005 0.000 1.009 641 V HN 0.088 nan 8.190 nan 0.000 0.426 642 V N 3.781 123.700 119.914 0.008 0.000 2.788 642 V HA 0.359 4.513 4.120 0.058 0.000 0.307 642 V C 1.631 177.752 176.094 0.044 0.000 1.069 642 V CA 1.754 64.073 62.300 0.032 0.000 1.173 642 V CB 0.437 32.291 31.823 0.051 0.000 0.925 642 V HN 1.384 nan 8.190 nan 0.000 0.492 643 G N 3.858 112.699 108.800 0.068 0.000 2.302 643 G HA2 -0.282 3.713 3.960 0.058 0.000 0.263 643 G HA3 -0.282 3.713 3.960 0.058 0.000 0.263 643 G C 0.451 175.375 174.900 0.040 0.000 0.995 643 G CA 0.383 45.521 45.100 0.063 0.000 0.622 643 G HN 0.784 nan 8.290 nan 0.000 0.538 644 S N 1.208 116.923 115.700 0.025 0.000 2.513 644 S HA 0.471 4.976 4.470 0.058 0.000 0.276 644 S C -0.166 174.437 174.600 0.006 0.000 1.254 644 S CA -0.451 57.756 58.200 0.012 0.000 1.053 644 S CB 1.339 64.540 63.200 0.002 0.000 0.958 644 S HN 0.370 nan 8.310 nan 0.000 0.491 645 D N 2.522 122.925 120.400 0.005 0.000 2.450 645 D HA 0.196 4.871 4.640 0.058 0.000 0.247 645 D C -0.113 176.177 176.300 -0.016 0.000 1.162 645 D CA 0.787 54.786 54.000 -0.002 0.000 0.879 645 D CB 0.317 41.117 40.800 -0.000 0.000 1.163 645 D HN 0.295 nan 8.370 nan 0.000 0.472 646 M N 2.509 122.092 119.600 -0.028 0.000 2.165 646 M HA 0.249 4.764 4.480 0.058 0.000 0.283 646 M C -1.266 175.000 176.300 -0.056 0.000 0.978 646 M CA -0.545 54.730 55.300 -0.042 0.000 0.948 646 M CB 1.469 34.038 32.600 -0.053 0.000 1.599 646 M HN 0.211 nan 8.290 nan 0.000 0.450 647 T N 3.929 118.452 114.554 -0.052 0.000 2.794 647 T HA 0.395 4.780 4.350 0.058 0.000 0.296 647 T C -0.311 174.339 174.700 -0.082 0.000 0.949 647 T CA -0.334 61.727 62.100 -0.065 0.000 1.101 647 T CB 0.969 69.809 68.868 -0.046 0.000 0.905 647 T HN 0.497 nan 8.240 nan 0.000 0.516 648 V N 4.174 124.016 119.914 -0.121 0.000 2.398 648 V HA 0.406 4.561 4.120 0.058 0.000 0.286 648 V C 0.359 176.364 176.094 -0.148 0.000 1.026 648 V CA -0.620 61.597 62.300 -0.138 0.000 0.868 648 V CB 1.851 33.564 31.823 -0.182 0.000 0.982 648 V HN 0.963 nan 8.190 nan 0.000 0.443 649 T N 4.729 119.231 114.554 -0.087 0.000 2.779 649 T HA 0.601 4.986 4.350 0.058 0.000 0.280 649 T C -0.460 174.239 174.700 -0.003 0.000 0.987 649 T CA -0.336 61.740 62.100 -0.040 0.000 0.966 649 T CB 1.533 70.397 68.868 -0.007 0.000 0.933 649 T HN 0.331 nan 8.240 nan 0.000 0.442 650 V N 4.325 124.275 119.914 0.059 0.000 2.495 650 V HA 0.612 4.767 4.120 0.058 0.000 0.298 650 V C -0.368 175.854 176.094 0.214 0.000 1.031 650 V CA -0.836 61.553 62.300 0.150 0.000 0.871 650 V CB 1.706 33.678 31.823 0.248 0.000 0.988 650 V HN 1.005 nan 8.190 nan 0.000 0.432 651 E N 4.444 124.757 120.200 0.189 0.000 2.304 651 E HA 0.634 5.018 4.350 0.058 0.000 0.277 651 E C -1.828 174.910 176.600 0.229 0.000 0.898 651 E CA -0.717 55.789 56.400 0.176 0.000 0.764 651 E CB 2.475 32.231 29.700 0.093 0.000 1.216 651 E HN 0.372 nan 8.360 nan 0.000 0.419 652 F N 1.700 121.667 119.950 0.029 0.000 2.540 652 F HA 0.494 5.056 4.527 0.058 0.000 0.317 652 F C -1.155 174.625 175.800 -0.035 0.000 1.104 652 F CA -0.526 57.480 58.000 0.010 0.000 0.913 652 F CB 2.482 41.503 39.000 0.035 0.000 1.170 652 F HN 0.458 nan 8.300 nan 0.000 0.450 653 T N 4.373 118.376 114.554 -0.918 0.000 2.756 653 T HA 0.165 4.550 4.350 0.058 0.000 0.290 653 T C -0.433 173.614 174.700 -1.089 0.000 0.985 653 T CA -0.632 61.025 62.100 -0.738 0.000 0.955 653 T CB 0.411 69.033 68.868 -0.411 0.000 0.930 653 T HN 0.545 nan 8.240 nan 0.000 0.451 654 N N 5.358 123.676 118.700 -0.637 0.000 2.406 654 N HA 0.079 4.854 4.740 0.058 0.000 0.269 654 N C -1.645 173.731 175.510 -0.224 0.000 1.210 654 N CA -2.023 50.822 53.050 -0.341 0.000 0.966 654 N CB 0.619 39.037 38.487 -0.114 0.000 1.293 654 N HN 0.256 nan 8.380 nan 0.000 0.491 655 P HA 0.068 nan 4.420 nan 0.000 0.253 655 P C -0.517 176.767 177.300 -0.026 0.000 1.508 655 P CA 0.259 63.304 63.100 -0.091 0.000 0.883 655 P CB 0.065 31.726 31.700 -0.065 0.000 1.519 656 L N 0.122 121.334 121.223 -0.018 0.000 2.334 656 L HA 0.406 4.781 4.340 0.058 0.000 0.270 656 L C 1.342 178.206 176.870 -0.010 0.000 1.018 656 L CA -1.044 53.798 54.840 0.004 0.000 0.811 656 L CB 1.529 43.603 42.059 0.026 0.000 1.271 656 L HN -0.346 nan 8.230 nan 0.000 0.443 657 K N 0.763 121.159 120.400 -0.006 0.000 2.522 657 K HA 0.142 4.497 4.320 0.058 0.000 0.194 657 K C -0.403 176.191 176.600 -0.010 0.000 1.026 657 K CA 0.229 56.508 56.287 -0.013 0.000 1.119 657 K CB -0.144 32.348 32.500 -0.014 0.000 0.856 657 K HN 0.527 nan 8.250 nan 0.000 0.513 658 E N -0.741 119.457 120.200 -0.004 0.000 2.359 658 E HA 0.196 4.580 4.350 0.058 0.000 0.266 658 E C -0.830 175.771 176.600 0.001 0.000 0.920 658 E CA -0.692 55.708 56.400 0.000 0.000 0.788 658 E CB 1.232 30.936 29.700 0.008 0.000 1.279 658 E HN -0.196 nan 8.360 nan 0.000 0.438 659 T N 1.269 115.824 114.554 0.002 0.000 2.749 659 T HA 0.342 4.727 4.350 0.058 0.000 0.295 659 T C -0.446 174.265 174.700 0.018 0.000 0.936 659 T CA -0.561 61.540 62.100 0.002 0.000 1.060 659 T CB -0.122 68.743 68.868 -0.004 0.000 0.904 659 T HN 0.264 nan 8.240 nan 0.000 0.500 660 L N 6.499 127.741 121.223 0.031 0.000 2.313 660 L HA 0.455 4.830 4.340 0.058 0.000 0.282 660 L C 1.157 178.054 176.870 0.046 0.000 1.092 660 L CA -0.495 54.378 54.840 0.056 0.000 0.831 660 L CB 0.459 42.578 42.059 0.100 0.000 1.159 660 L HN 0.488 nan 8.230 nan 0.000 0.442 661 R N 2.948 123.472 120.500 0.041 0.000 2.598 661 R HA 0.275 4.650 4.340 0.058 0.000 0.279 661 R C -0.075 176.238 176.300 0.022 0.000 0.984 661 R CA -0.949 55.166 56.100 0.025 0.000 0.999 661 R CB 0.997 31.309 30.300 0.019 0.000 1.114 661 R HN 0.594 nan 8.270 nan 0.000 0.493 662 N N 0.027 118.711 118.700 -0.026 0.000 2.688 662 N HA -0.148 4.627 4.740 0.058 0.000 0.258 662 N C -0.869 174.559 175.510 -0.136 0.000 1.016 662 N CA 0.522 53.506 53.050 -0.109 0.000 0.747 662 N CB -1.177 37.299 38.487 -0.018 0.000 0.895 662 N HN 0.246 nan 8.380 nan 0.000 0.543 663 V N 0.461 120.314 119.914 -0.102 0.000 2.470 663 V HA 0.175 4.330 4.120 0.058 0.000 0.276 663 V C 0.633 176.636 176.094 -0.152 0.000 1.040 663 V CA -0.201 62.109 62.300 0.016 0.000 1.008 663 V CB 0.183 32.139 31.823 0.222 0.000 0.990 663 V HN 0.248 nan 8.190 nan 0.000 0.477 664 W N 3.361 124.647 121.300 -0.024 0.000 2.475 664 W HA 0.666 5.357 4.660 0.052 0.000 0.317 664 W C -0.616 175.887 176.519 -0.027 0.000 1.046 664 W CA -0.696 56.581 57.345 -0.112 0.000 1.215 664 W CB 1.851 31.292 29.460 -0.032 0.000 1.335 664 W HN 0.281 nan 8.180 nan 0.000 0.471 665 V N 4.034 124.015 119.914 0.111 0.000 2.448 665 V HA 0.325 4.479 4.120 0.058 0.000 0.295 665 V C -0.109 176.092 176.094 0.178 0.000 1.025 665 V CA -0.936 61.466 62.300 0.169 0.000 0.859 665 V CB 0.994 32.934 31.823 0.195 0.000 0.988 665 V HN 0.479 nan 8.190 nan 0.000 0.431 666 H N 4.456 123.621 119.070 0.158 0.000 2.457 666 H HA 0.540 5.132 4.556 0.060 0.000 0.335 666 H C -1.092 174.376 175.328 0.232 0.000 1.115 666 H CA -0.743 55.411 56.048 0.177 0.000 1.219 666 H CB 2.590 32.382 29.762 0.050 0.000 1.471 666 H HN 0.328 nan 8.280 nan 0.000 0.491 667 L N 2.937 124.360 121.223 0.334 0.000 2.346 667 L HA 0.402 4.777 4.340 0.058 0.000 0.274 667 L C -0.540 176.374 176.870 0.075 0.000 1.007 667 L CA -0.175 54.757 54.840 0.153 0.000 0.818 667 L CB 1.596 43.645 42.059 -0.016 0.000 1.284 667 L HN 0.717 nan 8.230 nan 0.000 0.424 668 D N 1.727 122.126 120.400 -0.001 0.000 2.639 668 D HA 0.739 5.413 4.640 0.058 0.000 0.271 668 D C -1.296 174.949 176.300 -0.091 0.000 1.254 668 D CA 0.183 54.159 54.000 -0.040 0.000 0.810 668 D CB 2.619 43.382 40.800 -0.062 0.000 1.351 668 D HN 0.724 nan 8.370 nan 0.000 0.427 669 G N 1.872 110.602 108.800 -0.117 0.000 2.040 669 G HA2 0.209 4.204 3.960 0.058 0.000 0.195 669 G HA3 0.209 4.204 3.960 0.058 0.000 0.195 669 G C -3.116 171.664 174.900 -0.200 0.000 2.245 669 G CA -0.821 44.184 45.100 -0.158 0.000 0.911 669 G HN 0.242 nan 8.290 nan 0.000 0.566 670 P HA 0.337 nan 4.420 nan 0.000 0.267 670 P C 1.225 178.334 177.300 -0.317 0.000 1.205 670 P CA 1.683 64.696 63.100 -0.144 0.000 0.765 670 P CB 1.369 33.047 31.700 -0.038 0.000 0.828 671 G N 1.921 110.349 108.800 -0.620 0.000 2.234 671 G HA2 -0.276 3.719 3.960 0.058 0.000 0.260 671 G HA3 -0.276 3.719 3.960 0.058 0.000 0.260 671 G C 0.563 174.532 174.900 -1.552 0.000 0.987 671 G CA 0.306 44.655 45.100 -1.251 0.000 0.625 671 G HN 0.420 nan 8.290 nan 0.000 0.532 672 V N -0.968 118.331 119.914 -1.025 0.000 2.996 672 V HA 0.487 4.642 4.120 0.058 0.000 0.235 672 V C 1.057 176.829 176.094 -0.536 0.000 1.205 672 V CA 1.816 63.728 62.300 -0.647 0.000 1.225 672 V CB 1.088 32.687 31.823 -0.373 0.000 0.995 672 V HN 0.652 nan 8.190 nan 0.000 0.484 673 T N -0.385 113.910 114.554 -0.432 0.000 2.900 673 T HA 0.603 4.988 4.350 0.058 0.000 0.303 673 T C -0.854 173.830 174.700 -0.027 0.000 1.142 673 T CA -0.497 61.509 62.100 -0.157 0.000 1.007 673 T CB 2.157 70.957 68.868 -0.112 0.000 1.156 673 T HN 0.126 nan 8.240 nan 0.000 0.490 674 R N 2.633 123.234 120.500 0.168 0.000 2.583 674 R HA 0.563 4.938 4.340 0.058 0.000 0.268 674 R C -2.227 174.133 176.300 0.100 0.000 1.101 674 R CA -1.582 54.643 56.100 0.209 0.000 1.180 674 R CB 0.343 30.780 30.300 0.227 0.000 1.128 674 R HN 0.437 nan 8.270 nan 0.000 0.568 675 P HA 0.129 nan 4.420 nan 0.000 0.275 675 P C -0.971 176.390 177.300 0.102 0.000 1.227 675 P CA 0.330 63.480 63.100 0.083 0.000 0.781 675 P CB 0.995 32.748 31.700 0.089 0.000 0.906 676 M N 2.216 121.891 119.600 0.125 0.000 2.667 676 M HA 0.534 5.049 4.480 0.058 0.000 0.286 676 M C -0.278 176.153 176.300 0.219 0.000 1.270 676 M CA -0.671 54.739 55.300 0.184 0.000 0.826 676 M CB 3.305 36.049 32.600 0.239 0.000 1.743 676 M HN 0.296 nan 8.290 nan 0.000 0.460 677 K N 0.608 121.109 120.400 0.168 0.000 2.562 677 K HA 0.647 5.002 4.320 0.058 0.000 0.267 677 K C -2.038 174.406 176.600 -0.260 0.000 0.938 677 K CA -1.103 55.107 56.287 -0.129 0.000 0.840 677 K CB 2.970 35.142 32.500 -0.545 0.000 1.390 677 K HN 0.632 nan 8.250 nan 0.000 0.428 678 K N 2.388 122.394 120.400 -0.656 0.000 2.443 678 K HA 0.522 4.877 4.320 0.058 0.000 0.251 678 K C -1.571 174.494 176.600 -0.892 0.000 0.972 678 K CA -1.026 54.709 56.287 -0.920 0.000 0.833 678 K CB 2.347 33.741 32.500 -1.843 0.000 1.317 678 K HN 0.783 nan 8.250 nan 0.000 0.441 679 M N 3.572 122.485 119.600 -1.145 0.000 2.393 679 M HA 0.435 4.949 4.480 0.058 0.000 0.299 679 M C -1.915 173.715 176.300 -1.117 0.000 1.103 679 M CA -0.651 53.831 55.300 -1.363 0.000 0.910 679 M CB 1.142 32.579 32.600 -1.939 0.000 1.659 679 M HN 0.502 nan 8.290 nan 0.000 0.445 680 F N 3.898 123.567 119.950 -0.469 0.000 2.426 680 F HA 0.458 5.022 4.527 0.061 0.000 0.348 680 F C 1.321 176.962 175.800 -0.265 0.000 1.124 680 F CA -0.816 57.007 58.000 -0.294 0.000 1.008 680 F CB 1.017 39.902 39.000 -0.193 0.000 1.139 680 F HN 0.698 nan 8.300 nan 0.000 0.452 681 R N 2.605 123.071 120.500 -0.056 0.000 2.153 681 R HA -0.192 4.182 4.340 0.058 0.000 0.252 681 R C -0.313 175.970 176.300 -0.027 0.000 1.158 681 R CA 2.395 58.452 56.100 -0.071 0.000 0.975 681 R CB -0.038 30.234 30.300 -0.047 0.000 0.871 681 R HN 0.913 nan 8.270 nan 0.000 0.450 682 E N -1.491 118.717 120.200 0.014 0.000 2.403 682 E HA 0.317 4.702 4.350 0.058 0.000 0.280 682 E C -1.359 175.239 176.600 -0.004 0.000 1.101 682 E CA -0.808 55.598 56.400 0.010 0.000 0.856 682 E CB 0.729 30.427 29.700 -0.004 0.000 1.303 682 E HN 0.106 nan 8.360 nan 0.000 0.441 683 I N 1.746 122.307 120.570 -0.015 0.000 2.517 683 I HA 0.351 4.555 4.170 0.058 0.000 0.280 683 I C -0.526 175.565 176.117 -0.043 0.000 1.061 683 I CA -0.992 60.273 61.300 -0.058 0.000 1.091 683 I CB 1.469 39.433 38.000 -0.061 0.000 1.205 683 I HN 0.423 nan 8.210 nan 0.000 0.459 684 R N 5.656 126.125 120.500 -0.052 0.000 2.758 684 R HA 0.079 4.454 4.340 0.058 0.000 0.263 684 R C -2.413 173.858 176.300 -0.048 0.000 1.010 684 R CA -1.029 55.045 56.100 -0.042 0.000 1.114 684 R CB -0.386 29.889 30.300 -0.043 0.000 0.985 684 R HN 0.229 nan 8.270 nan 0.000 0.439 685 P HA -0.068 nan 4.420 nan 0.000 0.260 685 P C -0.684 176.582 177.300 -0.057 0.000 1.185 685 P CA 0.748 63.824 63.100 -0.040 0.000 0.763 685 P CB 0.102 31.785 31.700 -0.029 0.000 0.776 686 N N -0.760 117.894 118.700 -0.077 0.000 2.878 686 N HA -0.148 4.626 4.740 0.058 0.000 0.247 686 N C -0.474 174.971 175.510 -0.108 0.000 1.021 686 N CA 0.485 53.478 53.050 -0.094 0.000 0.873 686 N CB -1.280 37.166 38.487 -0.068 0.000 1.128 686 N HN 0.536 nan 8.380 nan 0.000 0.571 687 S N -0.708 114.923 115.700 -0.116 0.000 2.617 687 S HA 0.632 5.137 4.470 0.058 0.000 0.283 687 S C 0.098 174.599 174.600 -0.164 0.000 1.189 687 S CA -0.473 57.655 58.200 -0.120 0.000 1.036 687 S CB 2.439 65.577 63.200 -0.103 0.000 1.014 687 S HN 0.073 nan 8.310 nan 0.000 0.522 688 T N 2.208 116.671 114.554 -0.152 0.000 2.797 688 T HA 0.587 4.971 4.350 0.058 0.000 0.279 688 T C 0.379 174.984 174.700 -0.158 0.000 0.991 688 T CA -0.662 61.338 62.100 -0.167 0.000 0.979 688 T CB 1.087 69.877 68.868 -0.129 0.000 0.943 688 T HN 0.799 nan 8.240 nan 0.000 0.444 689 V N 1.964 121.762 119.914 -0.193 0.000 3.336 689 V HA 0.773 4.927 4.120 0.058 0.000 0.314 689 V C -0.441 175.611 176.094 -0.070 0.000 1.088 689 V CA -0.857 61.294 62.300 -0.249 0.000 1.033 689 V CB 1.504 32.913 31.823 -0.689 0.000 1.181 689 V HN 0.845 nan 8.190 nan 0.000 0.449 690 Q N -0.240 119.565 119.800 0.007 0.000 2.391 690 Q HA 0.500 4.874 4.340 0.058 0.000 0.279 690 Q C -2.452 173.745 176.000 0.328 0.000 1.028 690 Q CA -0.503 55.390 55.803 0.149 0.000 0.836 690 Q CB 2.773 31.566 28.738 0.092 0.000 1.414 690 Q HN 0.894 nan 8.270 nan 0.000 0.397 691 W N 3.044 124.421 121.300 0.128 0.000 2.968 691 W HA 0.451 5.142 4.660 0.052 0.000 0.337 691 W C -1.566 175.002 176.519 0.082 0.000 1.060 691 W CA -0.473 56.958 57.345 0.143 0.000 1.240 691 W CB 1.354 30.929 29.460 0.193 0.000 1.370 691 W HN 0.571 nan 8.180 nan 0.000 0.459 692 E N 3.710 123.969 120.200 0.100 0.000 2.176 692 E HA 0.379 4.764 4.350 0.058 0.000 0.267 692 E C -1.178 175.297 176.600 -0.208 0.000 0.893 692 E CA -0.840 55.503 56.400 -0.094 0.000 0.761 692 E CB 2.674 32.376 29.700 0.002 0.000 1.133 692 E HN 0.267 nan 8.360 nan 0.000 0.409 693 E N 1.696 121.698 120.200 -0.330 0.000 2.314 693 E HA 0.340 4.725 4.350 0.058 0.000 0.272 693 E C -1.677 174.813 176.600 -0.184 0.000 0.884 693 E CA -0.750 55.480 56.400 -0.284 0.000 0.753 693 E CB 1.828 31.222 29.700 -0.510 0.000 1.213 693 E HN 0.181 nan 8.360 nan 0.000 0.432 694 V N 3.309 123.161 119.914 -0.103 0.000 2.394 694 V HA 0.449 4.603 4.120 0.058 0.000 0.282 694 V C -0.327 175.732 176.094 -0.058 0.000 1.031 694 V CA -0.738 61.519 62.300 -0.071 0.000 0.881 694 V CB 0.941 32.743 31.823 -0.035 0.000 0.982 694 V HN 0.803 nan 8.190 nan 0.000 0.451 695 C N 4.544 123.806 119.300 -0.063 0.000 2.454 695 C HA 0.629 5.124 4.460 0.058 0.000 0.336 695 C C 0.441 175.422 174.990 -0.015 0.000 1.189 695 C CA -1.073 57.920 59.018 -0.042 0.000 1.877 695 C CB 1.353 29.040 27.740 -0.089 0.000 2.348 695 C HN 0.839 nan 8.230 nan 0.000 0.508 696 R N 1.923 122.444 120.500 0.035 0.000 2.575 696 R HA 0.263 4.637 4.340 0.058 0.000 0.281 696 R C -2.594 173.755 176.300 0.081 0.000 1.272 696 R CA -1.162 54.975 56.100 0.061 0.000 1.417 696 R CB 0.563 30.923 30.300 0.100 0.000 1.121 696 R HN 0.596 nan 8.270 nan 0.000 0.583 697 P HA -0.144 nan 4.420 nan 0.000 0.260 697 P C -0.211 177.108 177.300 0.032 0.000 1.172 697 P CA 0.296 63.335 63.100 -0.102 0.000 0.760 697 P CB 0.350 31.978 31.700 -0.120 0.000 0.773 698 W N 3.239 124.537 121.300 -0.004 0.000 3.220 698 W HA 0.455 5.125 4.660 0.016 0.000 0.328 698 W C -1.036 175.490 176.519 0.011 0.000 1.205 698 W CA -0.507 56.842 57.345 0.007 0.000 1.773 698 W CB -0.393 29.075 29.460 0.014 0.000 1.086 698 W HN -0.095 nan 8.180 nan 0.000 0.622 699 V N 1.768 121.661 119.914 -0.035 0.000 2.823 699 V HA 0.510 4.665 4.120 0.058 0.000 0.312 699 V C 0.167 176.244 176.094 -0.030 0.000 1.072 699 V CA -0.906 61.394 62.300 0.001 0.000 0.937 699 V CB 1.820 33.599 31.823 -0.074 0.000 1.013 699 V HN 0.056 nan 8.190 nan 0.000 0.430 700 S N 1.511 117.215 115.700 0.007 0.000 2.707 700 S HA 0.890 5.395 4.470 0.058 0.000 0.276 700 S C 0.437 175.035 174.600 -0.003 0.000 1.179 700 S CA 0.084 58.284 58.200 -0.001 0.000 0.992 700 S CB 1.420 64.631 63.200 0.018 0.000 1.030 700 S HN 1.894 nan 8.310 nan 0.000 0.554 701 G N 0.490 109.292 108.800 0.002 0.000 2.741 701 G HA2 -0.188 3.807 3.960 0.058 0.000 0.222 701 G HA3 -0.188 3.807 3.960 0.058 0.000 0.222 701 G C -0.447 174.467 174.900 0.025 0.000 1.364 701 G CA -0.304 44.812 45.100 0.027 0.000 0.866 701 G HN 1.062 nan 8.290 nan 0.000 0.555 702 H N 2.090 121.147 119.070 -0.022 0.000 2.975 702 H HA 0.421 5.013 4.556 0.060 0.000 0.303 702 H C 0.695 175.999 175.328 -0.040 0.000 1.023 702 H CA 0.494 56.525 56.048 -0.029 0.000 1.473 702 H CB 0.223 29.973 29.762 -0.021 0.000 1.498 702 H HN 0.553 nan 8.280 nan 0.000 0.549 703 R N 3.508 123.682 120.500 -0.543 0.000 3.084 703 R HA 0.477 4.851 4.340 0.058 0.000 0.234 703 R C -0.557 175.406 176.300 -0.561 0.000 1.433 703 R CA -0.981 54.904 56.100 -0.359 0.000 1.053 703 R CB 1.368 31.513 30.300 -0.258 0.000 1.449 703 R HN 0.716 nan 8.270 nan 0.000 0.505 704 K N 0.273 120.509 120.400 -0.273 0.000 2.551 704 K HA 0.457 4.812 4.320 0.058 0.000 0.269 704 K C -1.560 174.945 176.600 -0.157 0.000 0.949 704 K CA -0.560 55.609 56.287 -0.197 0.000 0.849 704 K CB 1.751 34.216 32.500 -0.059 0.000 1.411 704 K HN 0.356 nan 8.250 nan 0.000 0.432 705 L N 3.928 125.074 121.223 -0.128 0.000 2.334 705 L HA 0.599 4.974 4.340 0.058 0.000 0.276 705 L C -0.767 176.057 176.870 -0.077 0.000 1.014 705 L CA -0.809 53.964 54.840 -0.111 0.000 0.815 705 L CB 1.672 43.666 42.059 -0.109 0.000 1.268 705 L HN 0.547 nan 8.230 nan 0.000 0.428 706 I N 2.343 122.872 120.570 -0.068 0.000 2.533 706 I HA 0.701 4.906 4.170 0.058 0.000 0.290 706 I C -0.516 175.605 176.117 0.006 0.000 1.056 706 I CA -0.362 60.910 61.300 -0.046 0.000 1.057 706 I CB 2.144 40.087 38.000 -0.095 0.000 1.240 706 I HN 0.624 nan 8.210 nan 0.000 0.423 707 A N 4.065 126.916 122.820 0.051 0.000 2.413 707 A HA 0.941 5.295 4.320 0.058 0.000 0.307 707 A C -0.645 177.031 177.584 0.153 0.000 1.087 707 A CA -0.486 51.619 52.037 0.113 0.000 0.750 707 A CB 1.871 20.943 19.000 0.119 0.000 1.296 707 A HN 0.699 nan 8.150 nan 0.000 0.423 708 S N 1.515 117.307 115.700 0.152 0.000 2.588 708 S HA 0.827 5.332 4.470 0.058 0.000 0.275 708 S C -0.844 173.733 174.600 -0.038 0.000 1.130 708 S CA -0.637 57.616 58.200 0.088 0.000 0.855 708 S CB 1.800 65.074 63.200 0.123 0.000 1.116 708 S HN 0.934 nan 8.310 nan 0.000 0.472 709 M N 2.404 121.854 119.600 -0.250 0.000 2.457 709 M HA 0.672 5.187 4.480 0.058 0.000 0.300 709 M C -1.380 174.800 176.300 -0.200 0.000 1.141 709 M CA -0.222 54.929 55.300 -0.248 0.000 0.901 709 M CB 1.996 34.242 32.600 -0.590 0.000 1.687 709 M HN 1.044 nan 8.290 nan 0.000 0.449 710 S N 2.782 118.461 115.700 -0.036 0.000 2.603 710 S HA 0.806 5.311 4.470 0.058 0.000 0.274 710 S C -1.173 173.515 174.600 0.145 0.000 1.168 710 S CA -0.262 57.949 58.200 0.018 0.000 0.963 710 S CB 1.125 64.310 63.200 -0.025 0.000 1.078 710 S HN 0.874 nan 8.310 nan 0.000 0.477 711 S N 3.068 118.837 115.700 0.115 0.000 2.811 711 S HA 0.555 5.059 4.470 0.058 0.000 0.311 711 S C -0.155 174.522 174.600 0.128 0.000 1.152 711 S CA -0.720 57.564 58.200 0.141 0.000 0.864 711 S CB 0.734 63.998 63.200 0.107 0.000 1.226 711 S HN 0.498 nan 8.310 nan 0.000 0.541 712 D N 1.016 121.483 120.400 0.111 0.000 2.309 712 D HA 0.020 4.695 4.640 0.058 0.000 0.212 712 D C 1.614 177.958 176.300 0.072 0.000 0.968 712 D CA 1.719 55.775 54.000 0.092 0.000 0.882 712 D CB -0.125 40.717 40.800 0.071 0.000 0.918 712 D HN 0.555 nan 8.370 nan 0.000 0.503 713 S N -0.878 114.864 115.700 0.070 0.000 3.600 713 S HA 0.136 4.640 4.470 0.058 0.000 0.179 713 S C 0.384 175.021 174.600 0.061 0.000 0.816 713 S CA -0.559 57.675 58.200 0.057 0.000 0.916 713 S CB 0.241 63.471 63.200 0.050 0.000 1.164 713 S HN 0.058 nan 8.310 nan 0.000 0.709 714 L N 4.354 125.617 121.223 0.066 0.000 2.453 714 L HA 0.513 4.888 4.340 0.058 0.000 0.272 714 L C 0.042 176.933 176.870 0.035 0.000 1.182 714 L CA 0.265 55.142 54.840 0.061 0.000 0.858 714 L CB 0.095 42.209 42.059 0.093 0.000 1.120 714 L HN 0.747 nan 8.230 nan 0.000 0.474 715 R N 2.392 122.900 120.500 0.013 0.000 2.756 715 R HA 0.359 4.733 4.340 0.058 0.000 0.273 715 R C -0.588 175.692 176.300 -0.034 0.000 1.030 715 R CA -0.826 55.254 56.100 -0.033 0.000 0.887 715 R CB 0.344 30.660 30.300 0.027 0.000 1.274 715 R HN 0.656 nan 8.270 nan 0.000 0.461 716 H N -0.835 118.046 119.070 -0.316 0.000 2.880 716 H HA -0.084 4.507 4.556 0.059 0.000 0.304 716 H C -1.531 173.355 175.328 -0.736 0.000 1.259 716 H CA 0.874 56.634 56.048 -0.479 0.000 1.153 716 H CB -0.423 29.220 29.762 -0.199 0.000 1.395 716 H HN 0.317 nan 8.280 nan 0.000 0.420 717 V N 2.654 122.034 119.914 -0.890 0.000 2.417 717 V HA 0.451 4.606 4.120 0.058 0.000 0.291 717 V C -0.329 175.214 176.094 -0.919 0.000 1.024 717 V CA -0.369 61.518 62.300 -0.688 0.000 0.861 717 V CB 1.566 33.073 31.823 -0.528 0.000 0.985 717 V HN 0.266 nan 8.190 nan 0.000 0.436 718 Y N 2.005 122.237 120.300 -0.114 0.000 2.524 718 Y HA 0.861 5.445 4.550 0.056 0.000 0.347 718 Y C 0.498 176.375 175.900 -0.038 0.000 1.005 718 Y CA -0.891 57.151 58.100 -0.098 0.000 1.025 718 Y CB 2.595 40.982 38.460 -0.121 0.000 1.275 718 Y HN 0.745 nan 8.280 nan 0.000 0.460 719 G N 0.686 109.573 108.800 0.145 0.000 2.660 719 G HA2 0.725 4.720 3.960 0.058 0.000 0.294 719 G HA3 0.725 4.720 3.960 0.058 0.000 0.294 719 G C -1.679 173.257 174.900 0.060 0.000 1.369 719 G CA -0.948 44.208 45.100 0.094 0.000 0.912 719 G HN 0.655 nan 8.290 nan 0.000 0.479 720 E N -0.342 119.878 120.200 0.033 0.000 2.447 720 E HA 0.693 5.078 4.350 0.058 0.000 0.279 720 E C -1.904 174.693 176.600 -0.005 0.000 1.053 720 E CA -1.056 55.346 56.400 0.002 0.000 0.840 720 E CB 2.307 31.997 29.700 -0.017 0.000 1.409 720 E HN 0.457 nan 8.360 nan 0.000 0.461 721 L N 0.824 122.032 121.223 -0.026 0.000 2.472 721 L HA 0.334 4.708 4.340 0.058 0.000 0.260 721 L C -1.531 175.306 176.870 -0.055 0.000 0.963 721 L CA -0.679 54.141 54.840 -0.033 0.000 0.829 721 L CB 2.325 44.357 42.059 -0.044 0.000 1.348 721 L HN 0.679 nan 8.230 nan 0.000 0.408 722 D N 2.926 123.305 120.400 -0.035 0.000 2.896 722 D HA 0.186 4.860 4.640 0.058 0.000 0.240 722 D C 0.457 176.665 176.300 -0.153 0.000 1.193 722 D CA 0.084 54.056 54.000 -0.047 0.000 0.983 722 D CB 0.232 41.087 40.800 0.092 0.000 1.074 722 D HN 0.321 nan 8.370 nan 0.000 0.496 723 V N -0.325 119.455 119.914 -0.223 0.000 3.237 723 V HA 0.264 4.419 4.120 0.058 0.000 0.305 723 V C 0.125 176.053 176.094 -0.277 0.000 1.096 723 V CA -0.495 61.684 62.300 -0.201 0.000 1.130 723 V CB 1.133 32.847 31.823 -0.181 0.000 1.048 723 V HN 0.166 nan 8.190 nan 0.000 0.484 724 Q N 2.347 122.052 119.800 -0.158 0.000 2.533 724 Q HA 0.490 4.865 4.340 0.058 0.000 0.251 724 Q C -1.221 174.731 176.000 -0.080 0.000 0.966 724 Q CA -0.496 55.243 55.803 -0.107 0.000 0.714 724 Q CB 1.061 29.782 28.738 -0.030 0.000 1.284 724 Q HN 0.788 nan 8.270 nan 0.000 0.478 725 I N 3.076 123.592 120.570 -0.090 0.000 2.575 725 I HA 0.213 4.417 4.170 0.058 0.000 0.285 725 I C 0.507 176.604 176.117 -0.034 0.000 1.085 725 I CA -0.024 61.236 61.300 -0.067 0.000 1.403 725 I CB 0.990 38.940 38.000 -0.083 0.000 1.409 725 I HN 0.702 nan 8.210 nan 0.000 0.557 726 Q N 4.535 124.321 119.800 -0.024 0.000 2.241 726 Q HA 0.764 5.139 4.340 0.058 0.000 0.262 726 Q C -0.304 175.694 176.000 -0.002 0.000 1.014 726 Q CA -0.722 55.075 55.803 -0.010 0.000 0.885 726 Q CB 2.523 31.255 28.738 -0.010 0.000 1.311 726 Q HN 0.566 nan 8.270 nan 0.000 0.461 727 R N 0.000 120.501 120.500 0.002 0.000 2.786 727 R HA 0.000 4.375 4.340 0.058 0.000 0.208 727 R CA 0.000 56.104 56.100 0.007 0.000 0.921 727 R CB 0.000 30.309 30.300 0.015 0.000 0.687 727 R HN 0.000 nan 8.270 nan 0.000 0.535