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 3cn8_1_A DATA FIRST_RESID 5 DATA SEQUENCE SPAKKKVIII GAGIAGLKAA STLHQNGIQD CLVLEARDRV GGRLQTVTGY DATA SEQUENCE QGRKYDIGAS WHHDTLTNPL FLEEAQLSLN DGRTRFVFDD DNFIYIDEER DATA SEQUENCE GRVDHDKELL LEIVDNEMSK FAELEFHQHL GVSDCSFFQL VMKYLLQRRQ DATA SEQUENCE FLTNDQIRYL PQLCRYLELW HGLDWKLLSA KDTYFGHQGR NAFALNYDSV DATA SEQUENCE VQRIAQSFPQ NWLKLScEVK SITREPSKNV TVNcEDGTVY NADYVIITVP DATA SEQUENCE QSVLNLSVQP EKNLRGRIEF QPPLKPVIQD AFDKIHFGAL GKVIFEFEEC DATA SEQUENCE CWSNESSKIV TLANSTNEFV EIVRNAENLD ELDSMLEREX XXXXTSVTCW DATA SEQUENCE SQPLFFVNLS KSTGVASFMM LMQAPLTNHI ESIREDKERL FSFFQPVLNK DATA SEQUENCE IMKCLDSEDV IDGMRXXXXX XXANKPVLRN IIVSNWTRDP YSRGAYSACF DATA SEQUENCE PGDDPVDMVV AMSNGQDSRI RFAGEHTIMD GAGCAYGAWE SGRREATRIS DATA SEQUENCE DLLKLE 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 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.563 174.600 -0.062 0.000 1.055 5 S CA 0.000 58.171 58.200 -0.048 0.000 1.107 5 S CB 0.000 63.167 63.200 -0.055 0.000 0.593 6 P HA 0.422 nan 4.420 nan 0.000 0.259 6 P C -0.561 176.726 177.300 -0.021 0.000 1.211 6 P CA 0.506 63.570 63.100 -0.060 0.000 0.810 6 P CB 0.059 31.736 31.700 -0.039 0.000 0.815 7 A N 4.964 127.776 122.820 -0.014 0.000 2.520 7 A HA 0.103 4.424 4.320 0.001 0.000 0.245 7 A C 0.691 178.325 177.584 0.083 0.000 1.072 7 A CA -0.134 51.932 52.037 0.048 0.000 0.761 7 A CB 0.100 19.154 19.000 0.091 0.000 1.004 7 A HN 0.403 nan 8.150 nan 0.000 0.499 8 K N 2.065 122.492 120.400 0.045 0.000 2.270 8 K HA 0.322 4.643 4.320 0.001 0.000 0.276 8 K C -0.306 176.299 176.600 0.009 0.000 1.023 8 K CA 0.121 56.423 56.287 0.024 0.000 0.955 8 K CB 0.756 33.262 32.500 0.009 0.000 0.975 8 K HN 0.630 nan 8.250 nan 0.000 0.471 9 K N 2.501 122.887 120.400 -0.023 0.000 2.523 9 K HA 0.243 4.564 4.320 0.001 0.000 0.257 9 K C 0.564 177.117 176.600 -0.079 0.000 0.932 9 K CA -0.813 55.425 56.287 -0.082 0.000 0.812 9 K CB 1.721 34.131 32.500 -0.149 0.000 1.326 9 K HN 0.183 nan 8.250 nan 0.000 0.433 10 K N 0.319 120.663 120.400 -0.094 0.000 2.007 10 K HA 0.078 4.399 4.320 0.001 0.000 0.206 10 K C 0.732 177.314 176.600 -0.030 0.000 1.047 10 K CA 1.031 57.294 56.287 -0.040 0.000 0.937 10 K CB 0.203 32.679 32.500 -0.039 0.000 0.718 10 K HN 0.342 nan 8.250 nan 0.000 0.438 11 V N 1.427 121.252 119.914 -0.149 0.000 2.808 11 V HA 0.391 4.511 4.120 0.001 0.000 0.308 11 V C -0.642 175.295 176.094 -0.261 0.000 1.099 11 V CA -0.744 61.467 62.300 -0.148 0.000 0.920 11 V CB 2.542 34.263 31.823 -0.169 0.000 1.014 11 V HN 0.038 nan 8.190 nan 0.000 0.425 12 I N 4.993 125.442 120.570 -0.203 0.000 2.410 12 I HA 0.495 4.665 4.170 0.001 0.000 0.286 12 I C -0.792 175.211 176.117 -0.190 0.000 1.009 12 I CA -0.362 60.789 61.300 -0.248 0.000 1.111 12 I CB 1.814 39.669 38.000 -0.242 0.000 1.262 12 I HN 0.449 nan 8.210 nan 0.000 0.443 13 I N 6.925 127.374 120.570 -0.201 0.000 2.331 13 I HA 0.300 4.471 4.170 0.001 0.000 0.292 13 I C -0.431 175.625 176.117 -0.101 0.000 0.998 13 I CA -0.686 60.531 61.300 -0.137 0.000 1.267 13 I CB 1.413 39.330 38.000 -0.139 0.000 1.386 13 I HN 0.345 nan 8.210 nan 0.000 0.476 14 I N 5.917 126.450 120.570 -0.062 0.000 2.297 14 I HA 0.570 4.741 4.170 0.001 0.000 0.291 14 I C 0.586 176.706 176.117 0.005 0.000 1.033 14 I CA 0.038 61.318 61.300 -0.034 0.000 1.253 14 I CB 0.713 38.702 38.000 -0.019 0.000 1.396 14 I HN 0.771 nan 8.210 nan 0.000 0.476 15 G N 4.541 113.340 108.800 -0.000 0.000 3.233 15 G HA2 0.244 4.204 3.960 0.001 0.000 0.686 15 G HA3 0.244 4.204 3.960 0.001 0.000 0.686 15 G C -0.279 174.647 174.900 0.043 0.000 1.153 15 G CA -0.484 44.633 45.100 0.027 0.000 0.853 15 G HN 0.937 nan 8.290 nan 0.000 0.582 16 A N 1.725 124.580 122.820 0.059 0.000 2.842 16 A HA 0.764 5.084 4.320 0.001 0.000 0.298 16 A C 1.434 179.082 177.584 0.106 0.000 1.293 16 A CA 1.132 53.225 52.037 0.094 0.000 0.959 16 A CB -0.275 18.789 19.000 0.107 0.000 1.119 16 A HN 2.123 nan 8.150 nan 0.000 0.564 17 G N -0.742 108.116 108.800 0.097 0.000 2.553 17 G HA2 0.336 4.297 3.960 0.001 0.000 0.278 17 G HA3 0.336 4.297 3.960 0.001 0.000 0.278 17 G C 0.974 175.944 174.900 0.116 0.000 1.349 17 G CA -0.171 44.987 45.100 0.097 0.000 1.037 17 G HN 0.360 nan 8.290 nan 0.000 0.508 18 I N -0.205 120.436 120.570 0.117 0.000 2.493 18 I HA -0.080 4.090 4.170 0.001 0.000 0.254 18 I C 2.757 178.981 176.117 0.179 0.000 1.160 18 I CA 1.557 62.963 61.300 0.176 0.000 1.445 18 I CB 0.036 38.149 38.000 0.188 0.000 1.086 18 I HN 0.443 nan 8.210 nan 0.000 0.433 19 A N 0.338 123.235 122.820 0.128 0.000 1.855 19 A HA -0.056 4.264 4.320 0.001 0.000 0.215 19 A C 2.359 179.970 177.584 0.045 0.000 1.191 19 A CA 1.493 53.582 52.037 0.085 0.000 0.613 19 A CB -1.522 17.525 19.000 0.079 0.000 0.829 19 A HN 0.464 nan 8.150 nan 0.000 0.442 20 G N -0.219 108.615 108.800 0.056 0.000 2.418 20 G HA2 -0.134 3.827 3.960 0.001 0.000 0.217 20 G HA3 -0.134 3.827 3.960 0.001 0.000 0.217 20 G C 1.554 176.466 174.900 0.020 0.000 1.158 20 G CA 0.994 46.107 45.100 0.022 0.000 0.771 20 G HN 0.408 nan 8.290 nan 0.000 0.545 21 L N -0.071 121.215 121.223 0.104 0.000 2.083 21 L HA -0.026 4.315 4.340 0.001 0.000 0.209 21 L C 2.733 179.691 176.870 0.147 0.000 1.083 21 L CA 1.431 56.389 54.840 0.196 0.000 0.752 21 L CB -0.246 41.977 42.059 0.272 0.000 0.899 21 L HN 0.189 nan 8.230 nan 0.000 0.433 22 K N 0.640 121.093 120.400 0.089 0.000 2.217 22 K HA -0.024 4.297 4.320 0.001 0.000 0.202 22 K C 1.926 178.461 176.600 -0.108 0.000 1.051 22 K CA 1.236 57.512 56.287 -0.018 0.000 0.952 22 K CB -0.127 32.250 32.500 -0.205 0.000 0.736 22 K HN 0.190 nan 8.250 nan 0.000 0.453 23 A N 0.457 123.214 122.820 -0.104 0.000 1.930 23 A HA 0.054 4.374 4.320 0.001 0.000 0.217 23 A C 2.342 179.847 177.584 -0.133 0.000 1.175 23 A CA 1.651 53.612 52.037 -0.126 0.000 0.627 23 A CB -0.883 18.050 19.000 -0.113 0.000 0.815 23 A HN 0.378 nan 8.150 nan 0.000 0.443 24 A N -0.781 121.914 122.820 -0.208 0.000 1.898 24 A HA -0.074 4.246 4.320 0.001 0.000 0.216 24 A C 2.475 179.944 177.584 -0.191 0.000 1.181 24 A CA 2.064 53.898 52.037 -0.339 0.000 0.620 24 A CB -0.991 17.413 19.000 -0.993 0.000 0.819 24 A HN 0.552 nan 8.150 nan 0.000 0.442 25 S N -0.821 114.830 115.700 -0.082 0.000 2.359 25 S HA -0.172 4.298 4.470 0.001 0.000 0.224 25 S C 2.100 176.767 174.600 0.113 0.000 1.035 25 S CA 2.383 60.693 58.200 0.184 0.000 1.018 25 S CB -0.688 62.658 63.200 0.243 0.000 0.876 25 S HN 0.608 nan 8.310 nan 0.000 0.448 26 T N 2.949 117.511 114.554 0.014 0.000 2.684 26 T HA -0.048 4.302 4.350 0.001 0.000 0.267 26 T C 1.754 176.466 174.700 0.020 0.000 1.036 26 T CA 1.634 63.722 62.100 -0.019 0.000 1.148 26 T CB -0.508 68.301 68.868 -0.099 0.000 0.863 26 T HN 0.328 nan 8.240 nan 0.000 0.436 27 L N 0.034 121.285 121.223 0.047 0.000 2.012 27 L HA -0.181 4.160 4.340 0.001 0.000 0.210 27 L C 2.596 179.590 176.870 0.207 0.000 1.073 27 L CA 1.834 56.736 54.840 0.104 0.000 0.748 27 L CB -0.619 41.509 42.059 0.116 0.000 0.891 27 L HN 0.342 nan 8.230 nan 0.000 0.431 28 H N -0.050 119.118 119.070 0.162 0.000 2.353 28 H HA -0.230 4.327 4.556 0.001 0.000 0.300 28 H C 2.268 177.616 175.328 0.035 0.000 1.090 28 H CA 1.985 58.075 56.048 0.070 0.000 1.327 28 H CB -0.017 29.684 29.762 -0.102 0.000 1.383 28 H HN 0.277 nan 8.280 nan 0.000 0.508 29 Q N -0.315 119.468 119.800 -0.029 0.000 2.291 29 Q HA -0.124 4.216 4.340 0.001 0.000 0.206 29 Q C 0.696 176.644 176.000 -0.085 0.000 0.976 29 Q CA 1.424 57.169 55.803 -0.097 0.000 0.875 29 Q CB 0.099 28.833 28.738 -0.006 0.000 0.927 29 Q HN 0.437 nan 8.270 nan 0.000 0.450 30 N N -0.884 117.792 118.700 -0.041 0.000 2.270 30 N HA 0.147 4.888 4.740 0.001 0.000 0.198 30 N C 0.040 175.535 175.510 -0.025 0.000 1.117 30 N CA 0.772 53.804 53.050 -0.031 0.000 0.845 30 N CB 1.089 39.564 38.487 -0.020 0.000 0.980 30 N HN 0.359 nan 8.380 nan 0.000 0.486 31 G N 0.085 108.858 108.800 -0.045 0.000 2.137 31 G HA2 -0.223 3.737 3.960 0.001 0.000 0.237 31 G HA3 -0.223 3.737 3.960 0.001 0.000 0.237 31 G C -0.254 174.683 174.900 0.062 0.000 1.002 31 G CA -0.312 44.778 45.100 -0.016 0.000 0.702 31 G HN 0.170 nan 8.290 nan 0.000 0.515 32 I N 0.625 121.268 120.570 0.123 0.000 2.365 32 I HA 0.430 4.600 4.170 0.001 0.000 0.291 32 I C 0.655 176.979 176.117 0.345 0.000 1.004 32 I CA -0.206 61.195 61.300 0.168 0.000 1.311 32 I CB 1.092 39.161 38.000 0.115 0.000 1.401 32 I HN 0.291 nan 8.210 nan 0.000 0.491 33 Q N 3.304 123.271 119.800 0.279 0.000 2.486 33 Q HA 0.352 4.692 4.340 0.001 0.000 0.274 33 Q C -0.889 175.230 176.000 0.199 0.000 1.076 33 Q CA -0.861 55.186 55.803 0.407 0.000 0.872 33 Q CB 1.504 30.410 28.738 0.280 0.000 1.383 33 Q HN 0.500 nan 8.270 nan 0.000 0.478 34 D N -0.022 120.500 120.400 0.204 0.000 2.828 34 D HA -0.157 4.484 4.640 0.001 0.000 0.241 34 D C -1.120 174.979 176.300 -0.336 0.000 1.142 34 D CA 0.538 54.519 54.000 -0.031 0.000 0.755 34 D CB -1.422 39.379 40.800 0.002 0.000 1.014 34 D HN 0.361 nan 8.370 nan 0.000 0.420 35 C N 0.192 118.954 119.300 -0.898 0.000 2.913 35 C HA 0.840 5.301 4.460 0.001 0.000 0.322 35 C C -0.065 174.179 174.990 -1.244 0.000 1.292 35 C CA -0.709 57.594 59.018 -1.192 0.000 1.649 35 C CB 1.972 28.688 27.740 -1.707 0.000 2.139 35 C HN 0.441 nan 8.230 nan 0.000 0.475 36 L N 0.855 121.599 121.223 -0.798 0.000 2.466 36 L HA 0.700 5.041 4.340 0.001 0.000 0.258 36 L C -0.988 175.687 176.870 -0.325 0.000 0.973 36 L CA -0.174 54.369 54.840 -0.494 0.000 0.826 36 L CB 2.189 43.945 42.059 -0.505 0.000 1.372 36 L HN 0.449 nan 8.230 nan 0.000 0.409 37 V N 4.369 124.200 119.914 -0.139 0.000 2.325 37 V HA 0.431 4.551 4.120 0.001 0.000 0.280 37 V C -0.375 175.692 176.094 -0.045 0.000 1.016 37 V CA -0.508 61.753 62.300 -0.065 0.000 0.818 37 V CB 1.374 33.239 31.823 0.070 0.000 1.019 37 V HN 0.464 nan 8.190 nan 0.000 0.434 38 L N 4.251 125.423 121.223 -0.086 0.000 2.260 38 L HA 0.624 4.964 4.340 0.001 0.000 0.289 38 L C -0.028 176.816 176.870 -0.043 0.000 1.057 38 L CA -0.209 54.591 54.840 -0.066 0.000 0.811 38 L CB 1.123 43.128 42.059 -0.089 0.000 1.184 38 L HN 0.550 nan 8.230 nan 0.000 0.429 39 E N 2.325 122.504 120.200 -0.034 0.000 2.191 39 E HA 0.474 4.824 4.350 0.001 0.000 0.263 39 E C 0.218 176.753 176.600 -0.109 0.000 0.881 39 E CA -0.370 55.999 56.400 -0.050 0.000 0.757 39 E CB 2.040 31.739 29.700 -0.003 0.000 1.147 39 E HN 0.545 nan 8.360 nan 0.000 0.414 40 A N 5.205 127.888 122.820 -0.228 0.000 1.930 40 A HA -0.018 4.302 4.320 0.001 0.000 0.217 40 A C 1.020 178.409 177.584 -0.326 0.000 1.175 40 A CA 0.950 52.736 52.037 -0.418 0.000 0.627 40 A CB -0.201 18.193 19.000 -1.010 0.000 0.815 40 A HN 0.602 nan 8.150 nan 0.000 0.443 41 R N 0.052 120.428 120.500 -0.206 0.000 2.652 41 R HA 0.272 4.612 4.340 0.001 0.000 0.271 41 R C 0.076 176.371 176.300 -0.009 0.000 1.129 41 R CA 0.218 56.294 56.100 -0.039 0.000 1.200 41 R CB 0.121 30.449 30.300 0.047 0.000 1.146 41 R HN 0.433 nan 8.270 nan 0.000 0.581 42 D N 0.075 120.489 120.400 0.024 0.000 2.370 42 D HA 0.018 4.659 4.640 0.001 0.000 0.230 42 D C -0.241 176.077 176.300 0.029 0.000 1.143 42 D CA -0.211 53.802 54.000 0.023 0.000 0.834 42 D CB -0.059 40.756 40.800 0.025 0.000 0.944 42 D HN 0.469 nan 8.370 nan 0.000 0.504 43 R N -1.564 118.959 120.500 0.038 0.000 2.733 43 R HA 0.610 4.950 4.340 0.001 0.000 0.272 43 R C -0.850 175.487 176.300 0.061 0.000 1.029 43 R CA -1.106 55.022 56.100 0.048 0.000 0.888 43 R CB 0.985 31.318 30.300 0.055 0.000 1.251 43 R HN -0.098 nan 8.270 nan 0.000 0.464 44 V N -2.055 117.899 119.914 0.068 0.000 3.211 44 V HA 0.886 5.006 4.120 0.001 0.000 0.319 44 V C 0.924 177.075 176.094 0.095 0.000 1.096 44 V CA 0.326 62.677 62.300 0.085 0.000 1.029 44 V CB 0.780 32.659 31.823 0.094 0.000 1.137 44 V HN 1.212 nan 8.190 nan 0.000 0.453 45 G N -0.954 107.908 108.800 0.103 0.000 2.349 45 G HA2 0.123 4.083 3.960 0.001 0.000 0.213 45 G HA3 0.123 4.083 3.960 0.001 0.000 0.213 45 G C 1.687 176.641 174.900 0.089 0.000 1.044 45 G CA 0.808 45.967 45.100 0.097 0.000 0.633 45 G HN 2.688 nan 8.290 nan 0.000 0.506 46 G N 0.555 109.427 108.800 0.120 0.000 2.634 46 G HA2 -0.392 3.569 3.960 0.001 0.000 0.318 46 G HA3 -0.392 3.569 3.960 0.001 0.000 0.318 46 G C 0.833 175.801 174.900 0.113 0.000 1.207 46 G CA 1.373 46.551 45.100 0.129 0.000 0.987 46 G HN 1.229 nan 8.290 nan 0.000 0.547 47 R N 0.209 120.656 120.500 -0.088 0.000 2.328 47 R HA 0.301 4.642 4.340 0.001 0.000 0.206 47 R C 0.317 176.456 176.300 -0.269 0.000 0.990 47 R CA 0.097 55.940 56.100 -0.429 0.000 1.085 47 R CB -0.278 29.716 30.300 -0.509 0.000 0.998 47 R HN 0.324 nan 8.270 nan 0.000 0.484 48 L N 1.449 122.620 121.223 -0.086 0.000 2.324 48 L HA 0.339 4.680 4.340 0.001 0.000 0.274 48 L C -0.600 176.316 176.870 0.076 0.000 1.012 48 L CA -0.351 54.431 54.840 -0.097 0.000 0.859 48 L CB 1.419 43.388 42.059 -0.150 0.000 1.224 48 L HN 0.060 nan 8.230 nan 0.000 0.429 49 Q N 2.588 122.479 119.800 0.152 0.000 2.268 49 Q HA 0.422 4.762 4.340 0.001 0.000 0.266 49 Q C -1.502 174.577 176.000 0.132 0.000 1.006 49 Q CA -0.500 55.408 55.803 0.175 0.000 0.824 49 Q CB 2.615 31.510 28.738 0.262 0.000 1.306 49 Q HN 0.482 nan 8.270 nan 0.000 0.424 50 T N 3.059 117.667 114.554 0.089 0.000 2.795 50 T HA 0.545 4.895 4.350 0.001 0.000 0.282 50 T C -0.003 174.734 174.700 0.062 0.000 0.980 50 T CA -0.483 61.658 62.100 0.068 0.000 1.012 50 T CB 1.164 70.054 68.868 0.037 0.000 0.936 50 T HN 0.498 nan 8.240 nan 0.000 0.457 51 V N 0.772 120.734 119.914 0.081 0.000 3.096 51 V HA 0.869 4.990 4.120 0.001 0.000 0.319 51 V C -0.216 175.939 176.094 0.102 0.000 1.103 51 V CA -0.834 61.511 62.300 0.074 0.000 1.016 51 V CB 1.882 33.741 31.823 0.059 0.000 1.090 51 V HN 0.787 nan 8.190 nan 0.000 0.449 52 T N 1.485 116.089 114.554 0.084 0.000 2.807 52 T HA 0.806 5.156 4.350 0.001 0.000 0.279 52 T C 0.230 175.010 174.700 0.133 0.000 0.993 52 T CA 0.282 62.437 62.100 0.091 0.000 0.970 52 T CB 1.267 70.158 68.868 0.039 0.000 0.950 52 T HN 1.334 nan 8.240 nan 0.000 0.441 53 G N 0.553 109.483 108.800 0.216 0.000 3.262 53 G HA2 0.490 4.451 3.960 0.001 0.000 0.229 53 G HA3 0.490 4.451 3.960 0.001 0.000 0.229 53 G C -1.003 174.028 174.900 0.218 0.000 1.280 53 G CA -0.844 44.395 45.100 0.231 0.000 0.951 53 G HN 0.618 nan 8.290 nan 0.000 0.589 54 Y N 1.437 121.802 120.300 0.108 0.000 2.954 54 Y HA -0.062 4.488 4.550 0.001 0.000 0.351 54 Y C 1.459 177.411 175.900 0.087 0.000 1.282 54 Y CA 1.861 60.010 58.100 0.081 0.000 1.614 54 Y CB -0.126 38.382 38.460 0.079 0.000 1.183 54 Y HN 0.713 nan 8.280 nan 0.000 0.566 55 Q N 3.372 122.925 119.800 -0.412 0.000 2.494 55 Q HA -0.276 4.065 4.340 0.001 0.000 0.266 55 Q C 1.077 177.003 176.000 -0.125 0.000 1.053 55 Q CA 0.842 56.446 55.803 -0.332 0.000 1.029 55 Q CB -1.977 26.511 28.738 -0.415 0.000 1.423 55 Q HN 1.420 nan 8.270 nan 0.000 0.516 56 G N -0.029 108.734 108.800 -0.061 0.000 2.179 56 G HA2 -0.367 3.594 3.960 0.001 0.000 0.260 56 G HA3 -0.367 3.594 3.960 0.001 0.000 0.260 56 G C 0.158 175.035 174.900 -0.039 0.000 0.977 56 G CA 0.391 45.467 45.100 -0.039 0.000 0.641 56 G HN 0.350 nan 8.290 nan 0.000 0.533 57 R N 0.588 121.080 120.500 -0.013 0.000 2.623 57 R HA 0.400 4.741 4.340 0.001 0.000 0.271 57 R C 0.336 176.478 176.300 -0.263 0.000 1.043 57 R CA 0.409 56.441 56.100 -0.113 0.000 1.083 57 R CB 0.462 30.774 30.300 0.021 0.000 0.974 57 R HN 0.222 nan 8.270 nan 0.000 0.436 58 K N 2.711 122.822 120.400 -0.481 0.000 2.203 58 K HA 0.389 4.710 4.320 0.001 0.000 0.251 58 K C -1.157 174.995 176.600 -0.746 0.000 0.944 58 K CA -0.668 55.372 56.287 -0.411 0.000 0.829 58 K CB 1.749 34.135 32.500 -0.190 0.000 1.125 58 K HN 0.406 nan 8.250 nan 0.000 0.430 59 Y N -0.225 120.089 120.300 0.022 0.000 2.504 59 Y HA 0.169 4.719 4.550 0.001 0.000 0.344 59 Y C -0.485 175.414 175.900 -0.002 0.000 1.023 59 Y CA -1.169 56.944 58.100 0.022 0.000 1.020 59 Y CB 1.629 40.103 38.460 0.023 0.000 1.282 59 Y HN 0.437 nan 8.280 nan 0.000 0.454 60 D N 2.401 122.867 120.400 0.109 0.000 2.339 60 D HA 0.157 4.798 4.640 0.001 0.000 0.241 60 D C 0.376 176.731 176.300 0.093 0.000 1.183 60 D CA 0.175 54.205 54.000 0.050 0.000 0.859 60 D CB 1.633 42.394 40.800 -0.066 0.000 1.067 60 D HN 0.525 nan 8.370 nan 0.000 0.484 61 I N 2.334 122.992 120.570 0.145 0.000 3.684 61 I HA 0.106 4.276 4.170 0.001 0.000 0.304 61 I C 1.310 177.672 176.117 0.409 0.000 1.278 61 I CA 0.351 61.761 61.300 0.185 0.000 1.272 61 I CB 0.172 38.220 38.000 0.080 0.000 1.029 61 I HN 0.386 nan 8.210 nan 0.000 0.458 62 G N -0.674 108.327 108.800 0.336 0.000 3.410 62 G HA2 0.586 4.546 3.960 0.001 0.000 0.189 62 G HA3 0.586 4.546 3.960 0.001 0.000 0.189 62 G C -0.175 174.706 174.900 -0.031 0.000 1.404 62 G CA 0.073 45.285 45.100 0.188 0.000 0.898 62 G HN 0.316 nan 8.290 nan 0.000 0.650 63 A N -0.744 121.950 122.820 -0.211 0.000 2.520 63 A HA 0.507 4.828 4.320 0.001 0.000 0.235 63 A C 0.942 178.408 177.584 -0.197 0.000 1.065 63 A CA 0.952 52.822 52.037 -0.279 0.000 0.764 63 A CB 0.545 19.162 19.000 -0.638 0.000 1.002 63 A HN 0.576 nan 8.150 nan 0.000 0.502 64 S N 0.173 115.783 115.700 -0.151 0.000 2.653 64 S HA 0.193 4.664 4.470 0.001 0.000 0.259 64 S C -0.193 174.073 174.600 -0.556 0.000 1.076 64 S CA -0.254 57.665 58.200 -0.468 0.000 1.051 64 S CB 0.196 62.856 63.200 -0.900 0.000 0.994 64 S HN 0.736 nan 8.310 nan 0.000 0.552 65 W N 1.867 123.120 121.300 -0.078 0.000 2.781 65 W HA 0.489 5.150 4.660 0.001 0.000 0.345 65 W C -0.527 175.740 176.519 -0.420 0.000 1.085 65 W CA -0.586 56.605 57.345 -0.256 0.000 1.198 65 W CB 0.432 29.739 29.460 -0.255 0.000 1.423 65 W HN 0.078 nan 8.180 nan 0.000 0.532 66 H N 2.207 121.234 119.070 -0.072 0.000 2.594 66 H HA 0.224 4.781 4.556 0.001 0.000 0.304 66 H C 0.203 175.413 175.328 -0.198 0.000 1.068 66 H CA 0.027 56.004 56.048 -0.119 0.000 1.308 66 H CB 0.867 30.516 29.762 -0.187 0.000 1.409 66 H HN 0.208 nan 8.280 nan 0.000 0.460 67 H N 1.737 120.950 119.070 0.238 0.000 2.499 67 H HA 0.028 4.585 4.556 0.001 0.000 0.352 67 H C 0.316 175.682 175.328 0.063 0.000 1.237 67 H CA -0.432 55.721 56.048 0.175 0.000 1.343 67 H CB 0.902 30.831 29.762 0.279 0.000 1.578 67 H HN 0.641 nan 8.280 nan 0.000 0.577 68 D N 0.432 120.940 120.400 0.179 0.000 2.686 68 D HA -0.154 4.487 4.640 0.001 0.000 0.235 68 D C 1.110 177.337 176.300 -0.120 0.000 1.160 68 D CA 1.122 55.150 54.000 0.048 0.000 0.645 68 D CB -1.780 39.084 40.800 0.107 0.000 1.039 68 D HN 0.769 nan 8.370 nan 0.000 0.423 69 T N -3.041 111.371 114.554 -0.237 0.000 3.052 69 T HA -0.122 4.229 4.350 0.001 0.000 0.270 69 T C 2.025 176.655 174.700 -0.117 0.000 1.147 69 T CA 0.501 62.315 62.100 -0.478 0.000 1.089 69 T CB 0.039 68.366 68.868 -0.903 0.000 0.875 69 T HN 0.433 nan 8.240 nan 0.000 0.541 70 L N 1.226 122.422 121.223 -0.044 0.000 2.179 70 L HA 0.040 4.380 4.340 0.001 0.000 0.208 70 L C 2.984 179.866 176.870 0.019 0.000 1.096 70 L CA 1.561 56.410 54.840 0.015 0.000 0.779 70 L CB -0.332 41.737 42.059 0.016 0.000 0.922 70 L HN 0.563 nan 8.230 nan 0.000 0.443 71 T N -5.939 108.603 114.554 -0.021 0.000 2.964 71 T HA 0.044 4.395 4.350 0.001 0.000 0.249 71 T C 1.004 175.634 174.700 -0.118 0.000 1.000 71 T CA -0.385 61.697 62.100 -0.030 0.000 0.992 71 T CB -0.280 68.588 68.868 0.000 0.000 1.087 71 T HN -0.016 nan 8.240 nan 0.000 0.489 72 N N 4.558 123.090 118.700 -0.280 0.000 2.202 72 N HA -0.014 4.727 4.740 0.001 0.000 0.283 72 N C -1.207 174.143 175.510 -0.266 0.000 1.391 72 N CA -0.871 51.842 53.050 -0.562 0.000 0.910 72 N CB 1.081 39.270 38.487 -0.496 0.000 1.267 72 N HN 0.256 nan 8.380 nan 0.000 0.493 73 P HA -0.178 nan 4.420 nan 0.000 0.218 73 P C 1.589 178.642 177.300 -0.411 0.000 1.149 73 P CA 0.570 63.596 63.100 -0.122 0.000 0.817 73 P CB 0.375 32.178 31.700 0.171 0.000 0.785 74 L N -0.890 119.932 121.223 -0.670 0.000 2.056 74 L HA -0.050 4.291 4.340 0.001 0.000 0.207 74 L C 2.497 179.118 176.870 -0.415 0.000 1.078 74 L CA 1.565 55.887 54.840 -0.863 0.000 0.749 74 L CB -1.684 39.912 42.059 -0.771 0.000 0.901 74 L HN -0.193 nan 8.230 nan 0.000 0.433 75 F N -0.195 119.503 119.950 -0.420 0.000 2.102 75 F HA -0.208 4.320 4.527 0.001 0.000 0.298 75 F C 2.053 177.631 175.800 -0.369 0.000 1.105 75 F CA 1.849 59.516 58.000 -0.555 0.000 1.239 75 F CB -0.474 38.211 39.000 -0.526 0.000 0.991 75 F HN 0.051 nan 8.300 nan 0.000 0.474 76 L N 0.247 121.233 121.223 -0.396 0.000 2.013 76 L HA -0.259 4.081 4.340 0.001 0.000 0.212 76 L C 2.562 179.240 176.870 -0.320 0.000 1.073 76 L CA 2.098 56.729 54.840 -0.347 0.000 0.753 76 L CB -1.011 40.984 42.059 -0.106 0.000 0.890 76 L HN 0.283 nan 8.230 nan 0.000 0.432 77 E N 0.111 120.161 120.200 -0.252 0.000 2.058 77 E HA -0.251 4.100 4.350 0.001 0.000 0.194 77 E C 2.122 178.613 176.600 -0.181 0.000 0.997 77 E CA 1.304 57.612 56.400 -0.154 0.000 0.801 77 E CB 0.106 29.745 29.700 -0.101 0.000 0.746 77 E HN 0.365 nan 8.360 nan 0.000 0.450 78 E N -0.017 120.020 120.200 -0.272 0.000 2.110 78 E HA -0.181 4.170 4.350 0.001 0.000 0.193 78 E C 1.966 178.476 176.600 -0.151 0.000 0.988 78 E CA 0.997 57.279 56.400 -0.198 0.000 0.804 78 E CB -0.202 29.368 29.700 -0.217 0.000 0.745 78 E HN 0.391 nan 8.360 nan 0.000 0.458 79 A N 1.003 123.621 122.820 -0.338 0.000 1.969 79 A HA -0.229 4.092 4.320 0.001 0.000 0.218 79 A C 2.150 179.679 177.584 -0.092 0.000 1.169 79 A CA 1.714 53.650 52.037 -0.169 0.000 0.635 79 A CB -0.388 18.297 19.000 -0.526 0.000 0.810 79 A HN 0.148 nan 8.150 nan 0.000 0.445 80 Q N 0.101 119.829 119.800 -0.121 0.000 2.050 80 Q HA -0.098 4.242 4.340 0.001 0.000 0.202 80 Q C 1.872 177.839 176.000 -0.054 0.000 0.980 80 Q CA 1.742 57.504 55.803 -0.067 0.000 0.840 80 Q CB -0.490 28.214 28.738 -0.056 0.000 0.898 80 Q HN 0.652 nan 8.270 nan 0.000 0.424 81 L N -0.242 120.943 121.223 -0.062 0.000 1.990 81 L HA -0.241 4.100 4.340 0.001 0.000 0.213 81 L C 2.367 179.195 176.870 -0.070 0.000 1.072 81 L CA 1.669 56.475 54.840 -0.057 0.000 0.755 81 L CB -0.740 41.284 42.059 -0.058 0.000 0.889 81 L HN 0.183 nan 8.230 nan 0.000 0.432 82 S N -0.093 115.547 115.700 -0.100 0.000 2.465 82 S HA -0.135 4.336 4.470 0.001 0.000 0.241 82 S C 1.712 176.264 174.600 -0.080 0.000 1.000 82 S CA 0.800 58.921 58.200 -0.132 0.000 0.964 82 S CB -0.259 62.788 63.200 -0.254 0.000 0.763 82 S HN 0.221 nan 8.310 nan 0.000 0.512 83 L N 1.680 122.875 121.223 -0.048 0.000 2.395 83 L HA 0.113 4.453 4.340 0.001 0.000 0.218 83 L C 1.315 178.168 176.870 -0.028 0.000 1.130 83 L CA 1.172 55.996 54.840 -0.026 0.000 0.826 83 L CB -0.454 41.597 42.059 -0.014 0.000 0.941 83 L HN 0.159 nan 8.230 nan 0.000 0.451 84 N N -0.150 118.530 118.700 -0.035 0.000 2.418 84 N HA -0.063 4.678 4.740 0.001 0.000 0.199 84 N C 1.179 176.669 175.510 -0.034 0.000 1.044 84 N CA 1.269 54.302 53.050 -0.029 0.000 0.943 84 N CB -0.725 37.747 38.487 -0.026 0.000 1.154 84 N HN 0.414 nan 8.380 nan 0.000 0.467 85 D N -0.110 120.265 120.400 -0.042 0.000 2.392 85 D HA 0.105 4.745 4.640 0.001 0.000 0.228 85 D C 1.106 177.375 176.300 -0.051 0.000 1.003 85 D CA 0.734 54.708 54.000 -0.044 0.000 0.917 85 D CB -0.520 40.252 40.800 -0.048 0.000 0.890 85 D HN 0.386 nan 8.370 nan 0.000 0.532 86 G N 0.307 109.073 108.800 -0.057 0.000 2.233 86 G HA2 -0.392 3.569 3.960 0.001 0.000 0.270 86 G HA3 -0.392 3.569 3.960 0.001 0.000 0.270 86 G C 0.155 175.006 174.900 -0.081 0.000 1.011 86 G CA 0.139 45.202 45.100 -0.061 0.000 0.762 86 G HN 0.424 nan 8.290 nan 0.000 0.511 87 R N -0.145 120.294 120.500 -0.101 0.000 2.490 87 R HA 0.412 4.753 4.340 0.001 0.000 0.278 87 R C -0.104 176.084 176.300 -0.187 0.000 1.069 87 R CA -0.149 55.880 56.100 -0.118 0.000 1.080 87 R CB 0.646 30.883 30.300 -0.106 0.000 1.030 87 R HN 0.126 nan 8.270 nan 0.000 0.491 88 T N 3.485 117.934 114.554 -0.176 0.000 2.739 88 T HA 0.190 4.541 4.350 0.001 0.000 0.298 88 T C 1.082 175.621 174.700 -0.269 0.000 0.929 88 T CA -0.139 61.816 62.100 -0.242 0.000 1.014 88 T CB 0.518 69.306 68.868 -0.134 0.000 0.914 88 T HN 0.403 nan 8.240 nan 0.000 0.509 89 R N 1.809 122.031 120.500 -0.463 0.000 2.282 89 R HA 0.261 4.601 4.340 0.001 0.000 0.195 89 R C -0.129 176.073 176.300 -0.164 0.000 0.909 89 R CA 0.372 56.288 56.100 -0.306 0.000 1.039 89 R CB 0.454 30.593 30.300 -0.268 0.000 1.015 89 R HN 0.632 nan 8.270 nan 0.000 0.513 90 F N -3.233 116.719 119.950 0.004 0.000 2.745 90 F HA 0.658 5.185 4.527 0.001 0.000 0.316 90 F C -1.241 174.617 175.800 0.097 0.000 1.155 90 F CA -1.846 56.174 58.000 0.034 0.000 0.937 90 F CB 1.131 40.160 39.000 0.048 0.000 1.361 90 F HN -0.353 nan 8.300 nan 0.000 0.472 91 V N 1.564 121.767 119.914 0.482 0.000 2.711 91 V HA 0.524 4.645 4.120 0.001 0.000 0.304 91 V C -1.677 174.605 176.094 0.314 0.000 1.097 91 V CA -0.808 61.740 62.300 0.414 0.000 0.906 91 V CB 1.652 33.650 31.823 0.292 0.000 1.015 91 V HN 0.677 nan 8.190 nan 0.000 0.427 92 F N 6.252 126.378 119.950 0.294 0.000 2.487 92 F HA 0.317 4.844 4.527 0.001 0.000 0.364 92 F C 1.252 177.162 175.800 0.182 0.000 1.126 92 F CA -0.045 58.078 58.000 0.204 0.000 1.135 92 F CB 0.717 39.798 39.000 0.136 0.000 1.127 92 F HN 0.724 nan 8.300 nan 0.000 0.559 93 D N 0.667 121.242 120.400 0.293 0.000 2.501 93 D HA 0.020 4.660 4.640 0.001 0.000 0.226 93 D C -0.208 176.202 176.300 0.183 0.000 1.198 93 D CA -0.233 53.896 54.000 0.216 0.000 0.830 93 D CB -0.323 40.580 40.800 0.171 0.000 1.014 93 D HN 0.215 nan 8.370 nan 0.000 0.496 94 D N 0.862 121.384 120.400 0.204 0.000 2.399 94 D HA 0.276 4.917 4.640 0.001 0.000 0.241 94 D C -0.160 176.213 176.300 0.121 0.000 1.133 94 D CA 0.620 54.721 54.000 0.168 0.000 0.890 94 D CB 1.445 42.359 40.800 0.190 0.000 1.201 94 D HN 0.175 nan 8.370 nan 0.000 0.432 95 D N -0.067 120.386 120.400 0.089 0.000 2.692 95 D HA 0.119 4.759 4.640 0.001 0.000 0.303 95 D C -1.153 175.192 176.300 0.076 0.000 1.278 95 D CA -0.555 53.472 54.000 0.045 0.000 0.852 95 D CB 1.281 42.067 40.800 -0.022 0.000 1.375 95 D HN 0.106 nan 8.370 nan 0.000 0.453 96 N N 0.963 119.694 118.700 0.052 0.000 2.430 96 N HA 0.174 4.914 4.740 0.001 0.000 0.265 96 N C -0.270 175.286 175.510 0.078 0.000 1.100 96 N CA 0.005 53.118 53.050 0.106 0.000 0.961 96 N CB 0.167 38.677 38.487 0.037 0.000 1.075 96 N HN 0.196 nan 8.380 nan 0.000 0.478 97 F N 1.734 121.640 119.950 -0.073 0.000 2.578 97 F HA 0.139 4.667 4.527 0.001 0.000 0.376 97 F C 1.243 176.859 175.800 -0.306 0.000 1.085 97 F CA 0.065 57.910 58.000 -0.258 0.000 1.260 97 F CB 0.335 39.016 39.000 -0.532 0.000 1.095 97 F HN 0.241 nan 8.300 nan 0.000 0.573 98 I N 4.745 125.194 120.570 -0.202 0.000 2.321 98 I HA 0.206 4.377 4.170 0.001 0.000 0.291 98 I C -0.966 175.055 176.117 -0.160 0.000 0.998 98 I CA -0.634 60.614 61.300 -0.087 0.000 1.227 98 I CB 0.825 38.802 38.000 -0.038 0.000 1.368 98 I HN 0.420 nan 8.210 nan 0.000 0.466 99 Y N 6.606 127.007 120.300 0.168 0.000 2.352 99 Y HA 0.590 5.140 4.550 0.001 0.000 0.339 99 Y C -0.045 175.921 175.900 0.111 0.000 0.992 99 Y CA -0.691 57.511 58.100 0.170 0.000 1.100 99 Y CB 1.622 40.179 38.460 0.162 0.000 1.192 99 Y HN 0.307 nan 8.280 nan 0.000 0.458 100 I N 2.903 123.638 120.570 0.274 0.000 2.447 100 I HA 0.235 4.406 4.170 0.001 0.000 0.287 100 I C -1.014 175.246 176.117 0.238 0.000 1.023 100 I CA -0.629 60.788 61.300 0.195 0.000 1.083 100 I CB 1.810 39.901 38.000 0.152 0.000 1.245 100 I HN 0.594 nan 8.210 nan 0.000 0.434 101 D N 4.039 124.503 120.400 0.105 0.000 2.193 101 D HA 0.117 4.758 4.640 0.001 0.000 0.249 101 D C 1.022 177.277 176.300 -0.074 0.000 1.034 101 D CA -0.288 53.742 54.000 0.051 0.000 0.902 101 D CB 1.701 42.435 40.800 -0.109 0.000 1.182 101 D HN 0.608 nan 8.370 nan 0.000 0.436 102 E N 1.406 121.357 120.200 -0.415 0.000 2.038 102 E HA -0.223 4.127 4.350 0.001 0.000 0.195 102 E C 0.942 177.326 176.600 -0.360 0.000 1.000 102 E CA 1.194 57.115 56.400 -0.798 0.000 0.803 102 E CB 0.248 28.972 29.700 -1.628 0.000 0.750 102 E HN 0.492 nan 8.360 nan 0.000 0.448 103 E N 0.329 120.379 120.200 -0.251 0.000 2.004 103 E HA -0.156 4.195 4.350 0.001 0.000 0.193 103 E C 2.219 178.769 176.600 -0.082 0.000 0.985 103 E CA 0.771 57.092 56.400 -0.132 0.000 0.832 103 E CB -0.570 29.093 29.700 -0.062 0.000 0.787 103 E HN 0.114 nan 8.360 nan 0.000 0.466 104 R N 0.579 121.040 120.500 -0.065 0.000 2.170 104 R HA -0.147 4.194 4.340 0.001 0.000 0.242 104 R C 1.058 177.313 176.300 -0.075 0.000 1.145 104 R CA 1.441 57.494 56.100 -0.078 0.000 0.984 104 R CB -0.355 29.842 30.300 -0.172 0.000 0.869 104 R HN 0.373 nan 8.270 nan 0.000 0.455 105 G N -0.369 108.391 108.800 -0.067 0.000 2.488 105 G HA2 -0.318 3.643 3.960 0.001 0.000 0.237 105 G HA3 -0.318 3.643 3.960 0.001 0.000 0.237 105 G C -1.080 173.815 174.900 -0.008 0.000 1.209 105 G CA -0.014 45.072 45.100 -0.024 0.000 0.929 105 G HN 0.365 nan 8.290 nan 0.000 0.578 106 R N 0.475 120.985 120.500 0.017 0.000 2.449 106 R HA 0.343 4.683 4.340 0.001 0.000 0.296 106 R C 1.350 177.671 176.300 0.034 0.000 1.047 106 R CA 0.586 56.717 56.100 0.052 0.000 1.018 106 R CB 0.774 31.111 30.300 0.062 0.000 0.962 106 R HN 1.088 nan 8.270 nan 0.000 0.428 107 V N -1.479 118.472 119.914 0.062 0.000 3.477 107 V HA 0.061 4.182 4.120 0.001 0.000 0.297 107 V C 0.402 176.563 176.094 0.112 0.000 1.433 107 V CA -0.407 61.901 62.300 0.014 0.000 1.052 107 V CB -0.151 31.596 31.823 -0.127 0.000 0.895 107 V HN 0.664 nan 8.190 nan 0.000 0.438 108 D N 0.165 120.708 120.400 0.238 0.000 2.357 108 D HA 0.035 4.676 4.640 0.001 0.000 0.242 108 D C 0.514 176.983 176.300 0.281 0.000 1.153 108 D CA -0.031 54.177 54.000 0.346 0.000 0.918 108 D CB 0.297 41.361 40.800 0.440 0.000 1.181 108 D HN 0.410 nan 8.370 nan 0.000 0.435 109 H N -0.645 118.513 119.070 0.147 0.000 2.484 109 H HA -0.227 4.329 4.556 0.001 0.000 0.321 109 H C -0.875 174.496 175.328 0.072 0.000 1.065 109 H CA 1.101 57.209 56.048 0.099 0.000 1.118 109 H CB -0.943 28.877 29.762 0.097 0.000 1.511 109 H HN 0.430 nan 8.280 nan 0.000 0.403 110 D N 0.832 121.253 120.400 0.034 0.000 2.232 110 D HA 0.083 4.724 4.640 0.001 0.000 0.242 110 D C 1.134 177.407 176.300 -0.044 0.000 1.093 110 D CA -0.126 53.878 54.000 0.007 0.000 0.845 110 D CB 0.833 41.649 40.800 0.026 0.000 1.124 110 D HN 0.716 nan 8.370 nan 0.000 0.467 111 K N 1.670 122.042 120.400 -0.047 0.000 2.515 111 K HA -0.087 4.233 4.320 0.001 0.000 0.196 111 K C 1.307 177.897 176.600 -0.017 0.000 1.038 111 K CA 1.138 57.396 56.287 -0.049 0.000 0.967 111 K CB 0.114 32.594 32.500 -0.034 0.000 0.780 111 K HN 0.376 nan 8.250 nan 0.000 0.483 112 E N 1.875 122.076 120.200 0.002 0.000 2.228 112 E HA 0.166 4.517 4.350 0.001 0.000 0.197 112 E C 1.919 178.538 176.600 0.032 0.000 0.909 112 E CA 0.229 56.641 56.400 0.019 0.000 0.911 112 E CB -0.529 29.187 29.700 0.027 0.000 0.887 112 E HN 0.230 nan 8.360 nan 0.000 0.481 113 L N -0.024 121.221 121.223 0.038 0.000 2.056 113 L HA 0.120 4.460 4.340 0.001 0.000 0.207 113 L C 1.069 177.968 176.870 0.048 0.000 1.078 113 L CA 0.862 55.738 54.840 0.060 0.000 0.749 113 L CB -0.496 41.598 42.059 0.059 0.000 0.901 113 L HN 0.350 nan 8.230 nan 0.000 0.433 114 L N -0.081 121.155 121.223 0.021 0.000 3.739 114 L HA -0.274 4.067 4.340 0.001 0.000 0.442 114 L C 1.409 178.297 176.870 0.031 0.000 1.241 114 L CA -0.261 54.586 54.840 0.012 0.000 0.819 114 L CB -1.611 40.454 42.059 0.011 0.000 1.679 114 L HN 0.319 nan 8.230 nan 0.000 0.889 115 L N -0.775 120.465 121.223 0.028 0.000 2.046 115 L HA -0.204 4.137 4.340 0.001 0.000 0.208 115 L C 2.304 179.175 176.870 0.001 0.000 1.077 115 L CA 1.823 56.672 54.840 0.015 0.000 0.747 115 L CB -0.205 41.833 42.059 -0.034 0.000 0.896 115 L HN 0.387 nan 8.230 nan 0.000 0.432 116 E N 0.453 120.655 120.200 0.005 0.000 2.160 116 E HA -0.189 4.162 4.350 0.001 0.000 0.195 116 E C 2.147 178.766 176.600 0.032 0.000 0.991 116 E CA 1.136 57.550 56.400 0.024 0.000 0.810 116 E CB -0.228 29.520 29.700 0.081 0.000 0.742 116 E HN 0.443 nan 8.360 nan 0.000 0.466 117 I N 0.262 120.852 120.570 0.033 0.000 2.202 117 I HA -0.220 3.951 4.170 0.001 0.000 0.242 117 I C 2.106 178.245 176.117 0.037 0.000 1.091 117 I CA 1.013 62.331 61.300 0.030 0.000 1.368 117 I CB -0.300 37.715 38.000 0.026 0.000 1.058 117 I HN 0.080 nan 8.210 nan 0.000 0.410 118 V N -1.258 118.689 119.914 0.055 0.000 2.626 118 V HA -0.234 3.886 4.120 0.001 0.000 0.252 118 V C 2.029 178.137 176.094 0.023 0.000 1.067 118 V CA 2.025 64.374 62.300 0.083 0.000 1.081 118 V CB -0.920 30.988 31.823 0.142 0.000 0.686 118 V HN 0.382 nan 8.190 nan 0.000 0.468 119 D N 1.296 121.711 120.400 0.026 0.000 2.117 119 D HA -0.245 4.396 4.640 0.001 0.000 0.197 119 D C 2.125 178.427 176.300 0.002 0.000 0.987 119 D CA 1.681 55.699 54.000 0.031 0.000 0.829 119 D CB -0.410 40.445 40.800 0.091 0.000 0.961 119 D HN 0.485 nan 8.370 nan 0.000 0.460 120 N N 0.450 119.152 118.700 0.003 0.000 2.120 120 N HA -0.227 4.514 4.740 0.001 0.000 0.188 120 N C 1.752 177.230 175.510 -0.055 0.000 1.024 120 N CA 1.195 54.232 53.050 -0.021 0.000 0.852 120 N CB -0.162 38.319 38.487 -0.010 0.000 1.003 120 N HN 0.397 nan 8.380 nan 0.000 0.424 121 E N -0.238 119.938 120.200 -0.041 0.000 2.110 121 E HA -0.142 4.208 4.350 0.001 0.000 0.193 121 E C 2.132 178.652 176.600 -0.132 0.000 0.988 121 E CA 0.604 56.989 56.400 -0.026 0.000 0.804 121 E CB 0.049 29.791 29.700 0.070 0.000 0.745 121 E HN 0.320 nan 8.360 nan 0.000 0.458 122 M N 0.447 119.839 119.600 -0.346 0.000 2.086 122 M HA -0.141 4.340 4.480 0.001 0.000 0.261 122 M C 2.356 178.483 176.300 -0.288 0.000 1.067 122 M CA 1.350 56.306 55.300 -0.572 0.000 1.116 122 M CB -0.422 31.834 32.600 -0.573 0.000 1.348 122 M HN 0.091 nan 8.290 nan 0.000 0.407 123 S N 0.436 115.938 115.700 -0.330 0.000 2.370 123 S HA -0.188 4.283 4.470 0.001 0.000 0.226 123 S C 1.767 176.102 174.600 -0.442 0.000 1.033 123 S CA 1.653 59.438 58.200 -0.692 0.000 1.011 123 S CB -0.362 62.618 63.200 -0.366 0.000 0.852 123 S HN 0.291 nan 8.310 nan 0.000 0.457 124 K N 1.423 121.698 120.400 -0.207 0.000 2.097 124 K HA -0.043 4.278 4.320 0.001 0.000 0.206 124 K C 1.672 178.227 176.600 -0.076 0.000 1.049 124 K CA 1.184 57.403 56.287 -0.113 0.000 0.933 124 K CB -0.725 31.748 32.500 -0.045 0.000 0.717 124 K HN 0.340 nan 8.250 nan 0.000 0.442 125 F N 0.569 120.415 119.950 -0.173 0.000 2.102 125 F HA -0.094 4.433 4.527 0.001 0.000 0.298 125 F C 1.871 177.579 175.800 -0.154 0.000 1.105 125 F CA 1.730 59.664 58.000 -0.109 0.000 1.239 125 F CB -0.733 38.249 39.000 -0.030 0.000 0.991 125 F HN 0.076 nan 8.300 nan 0.000 0.474 126 A N 0.075 122.774 122.820 -0.201 0.000 1.902 126 A HA -0.247 4.074 4.320 0.001 0.000 0.217 126 A C 2.293 179.766 177.584 -0.185 0.000 1.181 126 A CA 1.810 53.732 52.037 -0.192 0.000 0.623 126 A CB -1.129 17.820 19.000 -0.084 0.000 0.818 126 A HN 0.607 nan 8.150 nan 0.000 0.443 127 E N -0.010 120.082 120.200 -0.179 0.000 2.051 127 E HA -0.179 4.171 4.350 0.001 0.000 0.192 127 E C 1.843 178.367 176.600 -0.126 0.000 0.991 127 E CA 1.276 57.626 56.400 -0.083 0.000 0.799 127 E CB -0.247 29.401 29.700 -0.088 0.000 0.748 127 E HN 0.614 nan 8.360 nan 0.000 0.449 128 L N 0.618 121.715 121.223 -0.211 0.000 2.362 128 L HA -0.122 4.219 4.340 0.001 0.000 0.219 128 L C 2.403 179.006 176.870 -0.445 0.000 1.134 128 L CA 0.749 55.447 54.840 -0.237 0.000 0.807 128 L CB -0.172 41.764 42.059 -0.205 0.000 0.927 128 L HN 0.163 nan 8.230 nan 0.000 0.447 129 E N 0.054 119.879 120.200 -0.624 0.000 2.086 129 E HA -0.094 4.257 4.350 0.001 0.000 0.190 129 E C 1.687 177.783 176.600 -0.840 0.000 0.975 129 E CA 1.476 57.324 56.400 -0.920 0.000 0.813 129 E CB 0.076 28.994 29.700 -1.304 0.000 0.768 129 E HN 0.433 nan 8.360 nan 0.000 0.457 130 F N -1.852 118.022 119.950 -0.127 0.000 2.637 130 F HA 0.274 4.801 4.527 0.001 0.000 0.284 130 F C 1.363 177.185 175.800 0.037 0.000 1.105 130 F CA 0.376 58.359 58.000 -0.028 0.000 1.356 130 F CB -0.578 38.424 39.000 0.004 0.000 1.096 130 F HN 0.022 nan 8.300 nan 0.000 0.616 131 H N 0.892 120.078 119.070 0.192 0.000 2.928 131 H HA 0.532 5.089 4.556 0.001 0.000 0.338 131 H C 1.008 176.451 175.328 0.192 0.000 1.047 131 H CA 0.752 56.894 56.048 0.156 0.000 1.435 131 H CB -0.171 29.650 29.762 0.098 0.000 1.428 131 H HN 0.462 nan 8.280 nan 0.000 0.590 132 Q N 0.188 120.064 119.800 0.126 0.000 4.622 132 Q HA -0.222 4.119 4.340 0.001 0.000 0.248 132 Q C 0.920 176.932 176.000 0.020 0.000 2.516 132 Q CA 2.042 57.874 55.803 0.048 0.000 0.332 132 Q CB -2.109 nan 28.738 nan 0.000 0.201 132 Q HN 1.517 nan 8.270 nan 0.000 0.575 133 H N 1.618 120.694 119.070 0.010 0.000 3.217 133 H HA 0.541 5.097 4.556 0.001 0.000 0.272 133 H C 0.598 175.948 175.328 0.036 0.000 0.929 133 H CA 0.461 56.515 56.048 0.010 0.000 1.425 133 H CB -0.049 29.703 29.762 -0.017 0.000 1.505 133 H HN 0.642 nan 8.280 nan 0.000 0.542 134 L N 2.410 123.689 121.223 0.093 0.000 2.371 134 L HA 0.265 4.606 4.340 0.001 0.000 0.272 134 L C 1.323 178.245 176.870 0.087 0.000 1.124 134 L CA 0.530 55.417 54.840 0.079 0.000 0.816 134 L CB 0.922 43.005 42.059 0.039 0.000 1.129 134 L HN 1.033 nan 8.230 nan 0.000 0.448 135 G N 2.673 111.524 108.800 0.084 0.000 2.176 135 G HA2 -0.247 3.714 3.960 0.001 0.000 0.253 135 G HA3 -0.247 3.714 3.960 0.001 0.000 0.253 135 G C 0.136 175.093 174.900 0.094 0.000 0.979 135 G CA 0.054 45.200 45.100 0.077 0.000 0.641 135 G HN 0.421 nan 8.290 nan 0.000 0.530 136 V N 1.463 121.455 119.914 0.130 0.000 2.673 136 V HA 0.410 4.530 4.120 0.001 0.000 0.303 136 V C 1.420 177.617 176.094 0.172 0.000 1.046 136 V CA 0.855 63.243 62.300 0.147 0.000 1.126 136 V CB 1.459 33.392 31.823 0.183 0.000 0.934 136 V HN 0.569 nan 8.190 nan 0.000 0.487 137 S N 2.121 117.909 115.700 0.146 0.000 2.585 137 S HA 0.043 4.513 4.470 0.001 0.000 0.273 137 S C 0.902 175.618 174.600 0.193 0.000 1.339 137 S CA -0.278 58.001 58.200 0.131 0.000 1.028 137 S CB 0.966 64.224 63.200 0.097 0.000 0.906 137 S HN 0.930 nan 8.310 nan 0.000 0.528 138 D N 1.549 122.018 120.400 0.114 0.000 2.092 138 D HA -0.036 4.604 4.640 0.001 0.000 0.203 138 D C 0.998 177.371 176.300 0.121 0.000 0.978 138 D CA 1.630 55.667 54.000 0.061 0.000 0.861 138 D CB -0.644 40.148 40.800 -0.014 0.000 1.005 138 D HN 1.089 nan 8.370 nan 0.000 0.450 139 C N -0.282 119.079 119.300 0.102 0.000 0.168 139 C HA -0.030 4.431 4.460 0.001 0.000 0.017 139 C C 0.486 175.548 174.990 0.120 0.000 0.171 139 C CA -0.679 58.409 59.018 0.116 0.000 0.499 139 C CB -2.347 25.484 27.740 0.153 0.000 3.212 139 C HN 0.636 nan 8.230 nan 0.000 1.118 140 S N 2.829 118.597 115.700 0.113 0.000 2.614 140 S HA 0.485 4.956 4.470 0.001 0.000 0.265 140 S C 0.570 175.302 174.600 0.221 0.000 1.303 140 S CA 0.280 58.562 58.200 0.137 0.000 1.000 140 S CB 0.670 63.928 63.200 0.097 0.000 0.935 140 S HN 1.946 nan 8.310 nan 0.000 0.551 141 F N 1.168 121.178 119.950 0.100 0.000 2.171 141 F HA -0.072 4.455 4.527 0.001 0.000 0.300 141 F C 1.848 177.746 175.800 0.164 0.000 1.090 141 F CA 1.491 59.585 58.000 0.157 0.000 1.293 141 F CB -0.250 38.847 39.000 0.163 0.000 1.013 141 F HN 0.744 nan 8.300 nan 0.000 0.486 142 F N 1.951 121.722 119.950 -0.299 0.000 2.095 142 F HA -0.230 4.297 4.527 0.001 0.000 0.298 142 F C 2.586 178.111 175.800 -0.457 0.000 1.104 142 F CA 2.592 60.110 58.000 -0.802 0.000 1.232 142 F CB -1.330 36.930 39.000 -1.234 0.000 0.987 142 F HN 0.103 nan 8.300 nan 0.000 0.475 143 Q N 0.632 120.212 119.800 -0.366 0.000 2.226 143 Q HA -0.098 4.243 4.340 0.001 0.000 0.204 143 Q C 2.077 177.973 176.000 -0.172 0.000 0.975 143 Q CA 1.694 57.300 55.803 -0.328 0.000 0.866 143 Q CB -1.341 27.368 28.738 -0.048 0.000 0.915 143 Q HN 0.623 nan 8.270 nan 0.000 0.440 144 L N -0.168 121.042 121.223 -0.021 0.000 2.072 144 L HA -0.031 4.310 4.340 0.001 0.000 0.205 144 L C 2.496 179.436 176.870 0.116 0.000 1.079 144 L CA 1.497 56.444 54.840 0.178 0.000 0.752 144 L CB -0.205 42.098 42.059 0.406 0.000 0.906 144 L HN 0.275 nan 8.230 nan 0.000 0.436 145 V N -0.591 119.255 119.914 -0.114 0.000 2.358 145 V HA -0.279 3.841 4.120 0.001 0.000 0.246 145 V C 2.591 178.631 176.094 -0.089 0.000 1.047 145 V CA 1.687 63.937 62.300 -0.084 0.000 1.035 145 V CB -0.610 31.115 31.823 -0.163 0.000 0.658 145 V HN 0.382 nan 8.190 nan 0.000 0.452 146 M N -0.043 119.367 119.600 -0.317 0.000 2.159 146 M HA -0.183 4.297 4.480 0.001 0.000 0.263 146 M C 2.175 178.374 176.300 -0.167 0.000 1.063 146 M CA 1.748 56.880 55.300 -0.281 0.000 1.110 146 M CB -1.218 31.083 32.600 -0.498 0.000 1.374 146 M HN 0.347 nan 8.290 nan 0.000 0.411 147 K N -0.481 119.857 120.400 -0.103 0.000 2.097 147 K HA -0.218 4.103 4.320 0.001 0.000 0.206 147 K C 2.133 178.652 176.600 -0.134 0.000 1.049 147 K CA 1.261 57.532 56.287 -0.026 0.000 0.933 147 K CB -0.284 32.297 32.500 0.135 0.000 0.717 147 K HN 0.243 nan 8.250 nan 0.000 0.442 148 Y N 1.390 121.456 120.300 -0.389 0.000 2.145 148 Y HA -0.171 4.380 4.550 0.001 0.000 0.286 148 Y C 1.609 177.241 175.900 -0.447 0.000 1.145 148 Y CA 1.529 59.113 58.100 -0.860 0.000 1.148 148 Y CB -0.288 37.724 38.460 -0.746 0.000 0.981 148 Y HN -0.013 nan 8.280 nan 0.000 0.507 149 L N -0.769 120.217 121.223 -0.395 0.000 2.042 149 L HA -0.243 4.098 4.340 0.001 0.000 0.210 149 L C 2.381 179.028 176.870 -0.372 0.000 1.076 149 L CA 0.906 55.518 54.840 -0.379 0.000 0.749 149 L CB -0.738 41.252 42.059 -0.115 0.000 0.893 149 L HN 0.288 nan 8.230 nan 0.000 0.432 150 L N -0.196 120.853 121.223 -0.290 0.000 2.017 150 L HA -0.242 4.098 4.340 0.001 0.000 0.208 150 L C 2.610 179.329 176.870 -0.252 0.000 1.073 150 L CA 1.774 56.471 54.840 -0.238 0.000 0.745 150 L CB -0.843 41.115 42.059 -0.168 0.000 0.894 150 L HN 0.327 nan 8.230 nan 0.000 0.432 151 Q N -1.089 118.546 119.800 -0.275 0.000 2.297 151 Q HA -0.105 4.236 4.340 0.001 0.000 0.204 151 Q C 1.024 176.865 176.000 -0.264 0.000 0.962 151 Q CA 0.819 56.492 55.803 -0.217 0.000 0.879 151 Q CB 0.267 28.928 28.738 -0.129 0.000 0.947 151 Q HN 0.296 nan 8.270 nan 0.000 0.462 152 R N 0.140 120.381 120.500 -0.430 0.000 2.577 152 R HA 0.112 4.452 4.340 0.001 0.000 0.344 152 R C 1.518 177.573 176.300 -0.409 0.000 1.037 152 R CA 0.008 55.890 56.100 -0.364 0.000 1.102 152 R CB 0.165 30.172 30.300 -0.488 0.000 1.313 152 R HN 0.328 nan 8.270 nan 0.000 0.561 153 R N 0.891 121.146 120.500 -0.409 0.000 2.127 153 R HA -0.169 4.171 4.340 0.001 0.000 0.238 153 R C 1.522 177.594 176.300 -0.380 0.000 1.134 153 R CA 1.499 57.394 56.100 -0.341 0.000 0.975 153 R CB -0.329 29.797 30.300 -0.291 0.000 0.865 153 R HN 0.227 nan 8.270 nan 0.000 0.447 154 Q N 0.458 119.888 119.800 -0.616 0.000 2.291 154 Q HA -0.072 4.268 4.340 0.001 0.000 0.205 154 Q C 0.402 176.031 176.000 -0.619 0.000 0.970 154 Q CA 1.111 56.486 55.803 -0.712 0.000 0.876 154 Q CB 0.056 28.182 28.738 -1.020 0.000 0.935 154 Q HN 0.570 nan 8.270 nan 0.000 0.455 155 F N 0.349 120.241 119.950 -0.096 0.000 2.684 155 F HA 0.347 4.875 4.527 0.001 0.000 0.298 155 F C -0.341 175.422 175.800 -0.060 0.000 1.120 155 F CA -0.564 57.395 58.000 -0.069 0.000 1.332 155 F CB 0.638 39.598 39.000 -0.066 0.000 0.986 155 F HN -0.116 nan 8.300 nan 0.000 0.524 156 L N 0.140 121.369 121.223 0.010 0.000 2.388 156 L HA 0.486 4.826 4.340 0.001 0.000 0.264 156 L C 0.236 177.102 176.870 -0.007 0.000 0.998 156 L CA -1.048 53.799 54.840 0.012 0.000 0.817 156 L CB 2.382 44.422 42.059 -0.031 0.000 1.338 156 L HN 0.011 nan 8.230 nan 0.000 0.414 157 T N -2.797 111.770 114.554 0.021 0.000 2.849 157 T HA 0.190 4.541 4.350 0.001 0.000 0.284 157 T C 0.771 175.474 174.700 0.005 0.000 1.004 157 T CA -0.417 61.692 62.100 0.014 0.000 1.021 157 T CB 0.898 69.787 68.868 0.036 0.000 1.013 157 T HN 0.639 nan 8.240 nan 0.000 0.527 158 N N 0.434 119.131 118.700 -0.006 0.000 2.104 158 N HA -0.150 4.591 4.740 0.001 0.000 0.190 158 N C 1.112 176.620 175.510 -0.003 0.000 1.024 158 N CA 1.253 54.291 53.050 -0.020 0.000 0.853 158 N CB -0.130 38.342 38.487 -0.025 0.000 1.008 158 N HN 0.629 nan 8.380 nan 0.000 0.424 159 D N 0.786 121.209 120.400 0.037 0.000 2.178 159 D HA -0.113 4.528 4.640 0.001 0.000 0.202 159 D C 1.921 178.302 176.300 0.135 0.000 0.974 159 D CA 0.968 55.024 54.000 0.093 0.000 0.841 159 D CB -0.100 40.811 40.800 0.186 0.000 0.953 159 D HN 0.364 nan 8.370 nan 0.000 0.478 160 Q N -0.112 119.756 119.800 0.114 0.000 2.083 160 Q HA -0.014 4.326 4.340 0.001 0.000 0.198 160 Q C 2.406 178.480 176.000 0.125 0.000 0.969 160 Q CA 0.612 56.495 55.803 0.132 0.000 0.838 160 Q CB 0.098 28.900 28.738 0.107 0.000 0.900 160 Q HN 0.339 nan 8.270 nan 0.000 0.436 161 I N 0.500 121.119 120.570 0.082 0.000 2.361 161 I HA -0.281 3.889 4.170 0.001 0.000 0.251 161 I C 2.637 178.891 176.117 0.229 0.000 1.133 161 I CA 1.063 62.431 61.300 0.114 0.000 1.413 161 I CB -0.215 37.788 38.000 0.006 0.000 1.073 161 I HN 0.173 nan 8.210 nan 0.000 0.424 162 R N 0.388 120.932 120.500 0.073 0.000 2.062 162 R HA -0.131 4.209 4.340 0.001 0.000 0.226 162 R C 2.122 178.301 176.300 -0.202 0.000 1.125 162 R CA 1.494 57.554 56.100 -0.067 0.000 0.966 162 R CB -0.174 29.886 30.300 -0.401 0.000 0.861 162 R HN 0.287 nan 8.270 nan 0.000 0.433 163 Y N -0.167 120.189 120.300 0.094 0.000 2.503 163 Y HA -0.025 4.526 4.550 0.001 0.000 0.278 163 Y C 1.877 177.801 175.900 0.041 0.000 1.111 163 Y CA -0.266 57.865 58.100 0.051 0.000 1.270 163 Y CB 0.145 38.631 38.460 0.043 0.000 1.063 163 Y HN 0.109 nan 8.280 nan 0.000 0.548 164 L N 2.459 123.799 121.223 0.195 0.000 1.970 164 L HA -0.096 4.244 4.340 0.001 0.000 0.212 164 L C -0.600 176.344 176.870 0.124 0.000 1.071 164 L CA 1.925 56.856 54.840 0.151 0.000 0.751 164 L CB -1.752 40.416 42.059 0.181 0.000 0.889 164 L HN -0.050 nan 8.230 nan 0.000 0.432 165 P HA -0.225 nan 4.420 nan 0.000 0.217 165 P C 1.143 178.416 177.300 -0.045 0.000 1.151 165 P CA 1.580 64.756 63.100 0.127 0.000 0.849 165 P CB -0.180 31.631 31.700 0.184 0.000 0.787 166 Q N -0.538 119.234 119.800 -0.047 0.000 2.187 166 Q HA -0.014 4.327 4.340 0.001 0.000 0.199 166 Q C 2.410 178.411 176.000 0.002 0.000 0.957 166 Q CA 0.704 56.452 55.803 -0.092 0.000 0.857 166 Q CB -1.017 27.735 28.738 0.024 0.000 0.929 166 Q HN 0.343 nan 8.270 nan 0.000 0.453 167 L N -0.165 121.089 121.223 0.052 0.000 2.156 167 L HA -0.100 4.241 4.340 0.001 0.000 0.208 167 L C 2.003 178.972 176.870 0.165 0.000 1.095 167 L CA 0.906 55.778 54.840 0.053 0.000 0.770 167 L CB -0.133 41.847 42.059 -0.130 0.000 0.914 167 L HN 0.118 nan 8.230 nan 0.000 0.439 168 C N 0.156 119.512 119.300 0.094 0.000 2.419 168 C HA -0.081 4.379 4.460 0.001 0.000 0.281 168 C C 2.541 177.506 174.990 -0.041 0.000 1.336 168 C CA 0.497 59.559 59.018 0.073 0.000 1.770 168 C CB -1.318 26.533 27.740 0.185 0.000 1.929 168 C HN 0.481 nan 8.230 nan 0.000 0.509 169 R N 0.540 121.030 120.500 -0.016 0.000 2.357 169 R HA -0.097 4.244 4.340 0.001 0.000 0.202 169 R C 1.713 178.026 176.300 0.022 0.000 1.047 169 R CA 0.879 56.965 56.100 -0.025 0.000 1.034 169 R CB -0.459 29.659 30.300 -0.302 0.000 0.875 169 R HN 0.881 nan 8.270 nan 0.000 0.473 170 Y N -0.934 119.465 120.300 0.165 0.000 2.403 170 Y HA -0.090 4.461 4.550 0.001 0.000 0.291 170 Y C 1.546 177.573 175.900 0.211 0.000 1.143 170 Y CA 0.599 58.805 58.100 0.176 0.000 1.257 170 Y CB -0.657 37.900 38.460 0.161 0.000 0.984 170 Y HN -0.058 nan 8.280 nan 0.000 0.550 171 L N 0.691 121.665 121.223 -0.415 0.000 2.265 171 L HA -0.163 4.177 4.340 0.001 0.000 0.215 171 L C 2.262 179.262 176.870 0.217 0.000 1.117 171 L CA 1.385 56.160 54.840 -0.109 0.000 0.782 171 L CB -0.544 41.203 42.059 -0.521 0.000 0.914 171 L HN 0.361 nan 8.230 nan 0.000 0.441 172 E N -0.025 120.275 120.200 0.166 0.000 2.153 172 E HA -0.185 4.166 4.350 0.001 0.000 0.194 172 E C 1.643 178.390 176.600 0.246 0.000 0.988 172 E CA 0.739 57.269 56.400 0.217 0.000 0.811 172 E CB 0.019 29.818 29.700 0.164 0.000 0.746 172 E HN 0.349 nan 8.360 nan 0.000 0.466 173 L N -0.873 120.494 121.223 0.239 0.000 2.650 173 L HA -0.036 4.305 4.340 0.001 0.000 0.235 173 L C 1.032 177.946 176.870 0.074 0.000 1.149 173 L CA 0.917 55.865 54.840 0.180 0.000 0.887 173 L CB -1.048 41.127 42.059 0.192 0.000 1.021 173 L HN 0.281 nan 8.230 nan 0.000 0.441 174 W N -1.432 119.922 121.300 0.090 0.000 2.808 174 W HA 0.104 4.765 4.660 0.001 0.000 0.266 174 W C 2.442 178.850 176.519 -0.185 0.000 1.247 174 W CA 0.191 57.496 57.345 -0.067 0.000 1.440 174 W CB 0.254 29.626 29.460 -0.147 0.000 1.040 174 W HN 0.210 nan 8.180 nan 0.000 0.606 175 H N -1.642 117.580 119.070 0.253 0.000 2.729 175 H HA 0.253 4.810 4.556 0.001 0.000 0.263 175 H C 1.870 177.224 175.328 0.044 0.000 0.961 175 H CA 1.020 57.167 56.048 0.165 0.000 1.217 175 H CB 0.508 30.314 29.762 0.074 0.000 1.447 175 H HN 0.103 nan 8.280 nan 0.000 0.496 176 G N 1.350 110.244 108.800 0.157 0.000 2.147 176 G HA2 -0.238 3.722 3.960 0.001 0.000 0.244 176 G HA3 -0.238 3.722 3.960 0.001 0.000 0.244 176 G C -0.436 174.510 174.900 0.077 0.000 1.005 176 G CA 0.109 45.230 45.100 0.034 0.000 0.713 176 G HN 0.129 nan 8.290 nan 0.000 0.515 177 L N 0.721 122.037 121.223 0.154 0.000 2.408 177 L HA 0.519 4.859 4.340 0.001 0.000 0.268 177 L C 0.104 177.077 176.870 0.171 0.000 0.986 177 L CA -1.328 53.604 54.840 0.154 0.000 0.820 177 L CB 1.828 43.991 42.059 0.174 0.000 1.303 177 L HN 0.284 nan 8.230 nan 0.000 0.411 178 D N 2.201 122.698 120.400 0.161 0.000 2.443 178 D HA -0.099 4.541 4.640 0.001 0.000 0.239 178 D C 0.737 177.251 176.300 0.357 0.000 1.136 178 D CA -0.243 53.894 54.000 0.228 0.000 0.879 178 D CB 0.950 41.861 40.800 0.186 0.000 1.195 178 D HN 0.635 nan 8.370 nan 0.000 0.443 179 W N 4.989 126.377 121.300 0.146 0.000 2.436 179 W HA -0.099 4.561 4.660 0.001 0.000 0.261 179 W C 0.743 177.366 176.519 0.173 0.000 1.222 179 W CA 0.303 57.796 57.345 0.247 0.000 1.191 179 W CB -0.901 28.735 29.460 0.293 0.000 1.132 179 W HN 0.418 nan 8.180 nan 0.000 0.596 180 K N 0.205 120.702 120.400 0.162 0.000 2.361 180 K HA 0.184 4.504 4.320 0.001 0.000 0.194 180 K C 1.797 178.361 176.600 -0.060 0.000 1.032 180 K CA 0.251 56.484 56.287 -0.090 0.000 1.048 180 K CB 0.155 32.497 32.500 -0.264 0.000 0.842 180 K HN 0.217 nan 8.250 nan 0.000 0.526 181 L N 0.660 121.866 121.223 -0.029 0.000 2.590 181 L HA 0.172 4.513 4.340 0.001 0.000 0.227 181 L C 0.254 177.074 176.870 -0.083 0.000 1.099 181 L CA -0.254 54.472 54.840 -0.190 0.000 0.872 181 L CB 0.298 42.213 42.059 -0.240 0.000 1.088 181 L HN 0.083 nan 8.230 nan 0.000 0.479 182 L N 0.181 121.445 121.223 0.068 0.000 2.312 182 L HA 0.275 4.616 4.340 0.001 0.000 0.281 182 L C 0.572 177.488 176.870 0.077 0.000 1.070 182 L CA 0.061 54.949 54.840 0.079 0.000 0.805 182 L CB 1.522 43.604 42.059 0.039 0.000 1.174 182 L HN -0.114 nan 8.230 nan 0.000 0.434 183 S N 3.892 119.614 115.700 0.036 0.000 2.510 183 S HA 0.367 4.838 4.470 0.001 0.000 0.279 183 S C 1.346 175.924 174.600 -0.036 0.000 1.284 183 S CA -0.023 58.184 58.200 0.011 0.000 1.059 183 S CB 0.773 63.970 63.200 -0.004 0.000 0.901 183 S HN 0.948 nan 8.310 nan 0.000 0.491 184 A N 5.904 128.742 122.820 0.029 0.000 1.902 184 A HA -0.067 4.254 4.320 0.001 0.000 0.217 184 A C 2.118 179.600 177.584 -0.170 0.000 1.181 184 A CA 1.475 53.577 52.037 0.107 0.000 0.623 184 A CB -0.549 18.637 19.000 0.309 0.000 0.818 184 A HN 0.929 nan 8.150 nan 0.000 0.443 185 K N -1.072 119.016 120.400 -0.519 0.000 2.281 185 K HA -0.161 4.159 4.320 0.001 0.000 0.203 185 K C 1.005 177.462 176.600 -0.239 0.000 1.046 185 K CA 1.410 57.297 56.287 -0.666 0.000 0.938 185 K CB -0.065 32.083 32.500 -0.586 0.000 0.737 185 K HN 0.452 nan 8.250 nan 0.000 0.458 186 D N -0.959 119.345 120.400 -0.160 0.000 2.407 186 D HA 0.027 4.667 4.640 0.001 0.000 0.208 186 D C 1.191 177.440 176.300 -0.085 0.000 1.083 186 D CA 0.425 54.373 54.000 -0.087 0.000 0.844 186 D CB 0.430 41.183 40.800 -0.077 0.000 0.967 186 D HN -0.082 nan 8.370 nan 0.000 0.506 187 T N -0.230 114.202 114.554 -0.204 0.000 2.595 187 T HA -0.143 4.207 4.350 0.001 0.000 0.264 187 T C 0.373 174.992 174.700 -0.134 0.000 1.058 187 T CA 1.260 63.113 62.100 -0.411 0.000 1.166 187 T CB -0.302 68.093 68.868 -0.788 0.000 0.863 187 T HN 0.105 nan 8.240 nan 0.000 0.415 188 Y N 1.205 121.563 120.300 0.097 0.000 2.316 188 Y HA 0.494 5.045 4.550 0.001 0.000 0.324 188 Y C -0.135 175.983 175.900 0.363 0.000 1.267 188 Y CA -1.425 56.787 58.100 0.186 0.000 1.311 188 Y CB 0.488 38.983 38.460 0.058 0.000 1.267 188 Y HN 0.303 nan 8.280 nan 0.000 0.516 189 F N -1.910 118.091 119.950 0.085 0.000 2.704 189 F HA 0.609 5.136 4.527 0.001 0.000 0.312 189 F C -0.479 175.347 175.800 0.044 0.000 1.108 189 F CA -1.603 56.423 58.000 0.043 0.000 1.005 189 F CB 0.491 39.486 39.000 -0.008 0.000 1.277 189 F HN 0.639 nan 8.300 nan 0.000 0.445 190 G N 1.361 110.133 108.800 -0.046 0.000 2.380 190 G HA2 0.376 4.336 3.960 0.001 0.000 0.262 190 G HA3 0.376 4.336 3.960 0.001 0.000 0.262 190 G C -1.132 173.743 174.900 -0.041 0.000 1.243 190 G CA -0.527 44.490 45.100 -0.138 0.000 0.865 190 G HN 0.892 nan 8.290 nan 0.000 0.513 191 H N 2.259 121.113 119.070 -0.360 0.000 2.668 191 H HA 0.111 4.667 4.556 0.001 0.000 0.303 191 H C 0.016 175.292 175.328 -0.086 0.000 1.074 191 H CA -0.730 55.180 56.048 -0.231 0.000 1.406 191 H CB 1.479 31.059 29.762 -0.302 0.000 1.442 191 H HN 0.354 nan 8.280 nan 0.000 0.482 192 Q N 3.227 123.091 119.800 0.106 0.000 3.151 192 Q HA 0.164 4.504 4.340 0.001 0.000 0.277 192 Q C 0.821 176.850 176.000 0.049 0.000 1.343 192 Q CA -0.000 55.842 55.803 0.065 0.000 0.925 192 Q CB -0.087 28.690 28.738 0.066 0.000 1.771 192 Q HN 1.006 nan 8.270 nan 0.000 0.514 193 G N 0.745 109.575 108.800 0.050 0.000 2.603 193 G HA2 -0.197 3.763 3.960 0.001 0.000 0.686 193 G HA3 -0.197 3.763 3.960 0.001 0.000 0.686 193 G C -0.693 174.257 174.900 0.083 0.000 1.286 193 G CA -1.085 44.044 45.100 0.047 0.000 0.871 193 G HN 0.470 nan 8.290 nan 0.000 0.568 194 R N 0.229 120.792 120.500 0.106 0.000 2.861 194 R HA 0.175 4.516 4.340 0.001 0.000 0.268 194 R C 0.638 177.001 176.300 0.106 0.000 1.027 194 R CA 0.091 56.292 56.100 0.168 0.000 1.163 194 R CB 0.147 30.620 30.300 0.289 0.000 1.060 194 R HN 0.608 nan 8.270 nan 0.000 0.483 195 N N -0.398 118.359 118.700 0.095 0.000 2.477 195 N HA 0.425 5.165 4.740 0.001 0.000 0.284 195 N C -1.150 174.230 175.510 -0.218 0.000 1.182 195 N CA -0.436 52.605 53.050 -0.016 0.000 0.949 195 N CB 1.964 40.475 38.487 0.039 0.000 1.204 195 N HN 0.556 nan 8.380 nan 0.000 0.526 196 A N 1.100 123.747 122.820 -0.288 0.000 2.375 196 A HA 0.351 4.672 4.320 0.001 0.000 0.291 196 A C -1.042 176.632 177.584 0.151 0.000 1.160 196 A CA -0.660 51.121 52.037 -0.427 0.000 0.747 196 A CB 0.135 18.483 19.000 -1.086 0.000 1.170 196 A HN 0.586 nan 8.150 nan 0.000 0.458 197 F N 3.673 123.732 119.950 0.181 0.000 2.506 197 F HA 0.421 4.949 4.527 0.001 0.000 0.369 197 F C 0.903 176.697 175.800 -0.008 0.000 1.114 197 F CA -0.061 57.973 58.000 0.057 0.000 1.121 197 F CB 0.273 39.306 39.000 0.054 0.000 1.104 197 F HN 0.741 nan 8.300 nan 0.000 0.564 198 A N 7.246 129.770 122.820 -0.493 0.000 2.488 198 A HA 0.262 4.582 4.320 0.001 0.000 0.249 198 A C -0.054 177.228 177.584 -0.503 0.000 1.083 198 A CA -0.388 51.386 52.037 -0.439 0.000 0.768 198 A CB -0.046 18.384 19.000 -0.951 0.000 1.017 198 A HN 0.881 nan 8.150 nan 0.000 0.496 199 L N 2.580 123.683 121.223 -0.200 0.000 2.598 199 L HA 0.398 4.739 4.340 0.001 0.000 0.241 199 L C 0.915 177.701 176.870 -0.140 0.000 1.244 199 L CA 0.792 55.552 54.840 -0.133 0.000 1.198 199 L CB -1.016 41.031 42.059 -0.019 0.000 1.448 199 L HN 1.084 nan 8.230 nan 0.000 0.406 200 N N -0.393 118.193 118.700 -0.191 0.000 3.992 200 N HA -0.186 4.555 4.740 0.001 0.000 0.274 200 N C -0.075 175.384 175.510 -0.085 0.000 0.944 200 N CA 0.039 53.025 53.050 -0.106 0.000 0.725 200 N CB -2.048 nan 38.487 nan 0.000 1.396 200 N HN 0.369 nan 8.380 nan 0.000 0.592 201 Y N 0.200 120.416 120.300 -0.140 0.000 2.439 201 Y HA -0.137 4.413 4.550 0.001 0.000 0.292 201 Y C 2.408 178.282 175.900 -0.043 0.000 1.130 201 Y CA 1.868 59.900 58.100 -0.113 0.000 1.254 201 Y CB 0.456 38.819 38.460 -0.161 0.000 1.000 201 Y HN 0.892 nan 8.280 nan 0.000 0.554 202 D N -1.210 119.263 120.400 0.121 0.000 2.178 202 D HA -0.216 4.425 4.640 0.001 0.000 0.201 202 D C 2.135 178.472 176.300 0.063 0.000 0.980 202 D CA 1.352 55.403 54.000 0.084 0.000 0.842 202 D CB -0.802 40.028 40.800 0.049 0.000 0.948 202 D HN 0.268 nan 8.370 nan 0.000 0.472 203 S N -0.136 115.585 115.700 0.034 0.000 2.402 203 S HA -0.093 4.377 4.470 0.001 0.000 0.229 203 S C 2.052 176.677 174.600 0.041 0.000 1.021 203 S CA 1.034 59.243 58.200 0.015 0.000 0.974 203 S CB -0.319 62.870 63.200 -0.018 0.000 0.800 203 S HN 0.192 nan 8.310 nan 0.000 0.484 204 V N 1.205 121.164 119.914 0.075 0.000 2.407 204 V HA -0.040 4.080 4.120 0.001 0.000 0.245 204 V C 2.531 178.715 176.094 0.150 0.000 1.041 204 V CA 1.417 63.788 62.300 0.117 0.000 1.040 204 V CB -0.643 31.283 31.823 0.171 0.000 0.671 204 V HN 0.411 nan 8.190 nan 0.000 0.455 205 V N -0.212 119.796 119.914 0.158 0.000 2.295 205 V HA -0.262 3.859 4.120 0.001 0.000 0.246 205 V C 2.654 178.811 176.094 0.106 0.000 1.049 205 V CA 1.843 64.231 62.300 0.146 0.000 1.024 205 V CB -0.668 31.230 31.823 0.125 0.000 0.648 205 V HN 0.505 nan 8.190 nan 0.000 0.447 206 Q N -0.271 119.569 119.800 0.068 0.000 2.124 206 Q HA -0.202 4.139 4.340 0.001 0.000 0.202 206 Q C 2.338 178.349 176.000 0.018 0.000 0.977 206 Q CA 1.650 57.469 55.803 0.027 0.000 0.850 206 Q CB -0.513 28.231 28.738 0.010 0.000 0.901 206 Q HN 0.641 nan 8.270 nan 0.000 0.429 207 R N 0.434 120.960 120.500 0.043 0.000 2.081 207 R HA -0.076 4.264 4.340 0.001 0.000 0.235 207 R C 2.171 178.514 176.300 0.071 0.000 1.131 207 R CA 1.066 57.192 56.100 0.043 0.000 0.960 207 R CB -0.123 30.210 30.300 0.055 0.000 0.856 207 R HN 0.211 nan 8.270 nan 0.000 0.436 208 I N 0.508 121.154 120.570 0.128 0.000 2.333 208 I HA -0.117 4.054 4.170 0.001 0.000 0.246 208 I C 2.589 178.808 176.117 0.170 0.000 1.106 208 I CA 0.932 62.350 61.300 0.197 0.000 1.411 208 I CB -0.407 37.762 38.000 0.282 0.000 1.082 208 I HN 0.267 nan 8.210 nan 0.000 0.420 209 A N 0.399 123.277 122.820 0.095 0.000 1.908 209 A HA -0.246 4.074 4.320 0.001 0.000 0.218 209 A C 2.154 179.457 177.584 -0.468 0.000 1.181 209 A CA 1.520 53.517 52.037 -0.066 0.000 0.627 209 A CB -0.627 18.354 19.000 -0.032 0.000 0.818 209 A HN 0.494 nan 8.150 nan 0.000 0.445 210 Q N 0.176 119.824 119.800 -0.253 0.000 2.482 210 Q HA -0.018 4.322 4.340 0.001 0.000 0.209 210 Q C 1.404 177.255 176.000 -0.247 0.000 0.961 210 Q CA 0.780 56.412 55.803 -0.285 0.000 0.945 210 Q CB -0.138 28.510 28.738 -0.150 0.000 1.012 210 Q HN 0.788 nan 8.270 nan 0.000 0.515 211 S N -0.213 115.391 115.700 -0.160 0.000 2.660 211 S HA 0.165 4.636 4.470 0.001 0.000 0.227 211 S C 0.035 174.674 174.600 0.064 0.000 0.948 211 S CA -0.667 57.538 58.200 0.008 0.000 0.948 211 S CB -0.314 62.968 63.200 0.138 0.000 0.779 211 S HN 0.325 nan 8.310 nan 0.000 0.487 212 F N -2.328 117.477 119.950 -0.242 0.000 2.711 212 F HA 0.794 5.322 4.527 0.001 0.000 0.313 212 F C -3.456 171.877 175.800 -0.778 0.000 1.141 212 F CA -2.850 54.740 58.000 -0.683 0.000 0.941 212 F CB -0.181 38.520 39.000 -0.498 0.000 1.349 212 F HN -0.283 nan 8.300 nan 0.000 0.464 213 P HA 0.050 nan 4.420 nan 0.000 0.260 213 P C 0.107 177.177 177.300 -0.382 0.000 1.172 213 P CA 0.428 63.070 63.100 -0.763 0.000 0.760 213 P CB 0.639 31.627 31.700 -1.187 0.000 0.773 214 Q N 2.589 122.224 119.800 -0.275 0.000 2.230 214 Q HA -0.127 4.214 4.340 0.001 0.000 0.202 214 Q C 1.418 177.437 176.000 0.032 0.000 0.963 214 Q CA 0.998 56.714 55.803 -0.145 0.000 0.866 214 Q CB -0.152 28.498 28.738 -0.146 0.000 0.931 214 Q HN 0.620 nan 8.270 nan 0.000 0.452 215 N N -0.932 117.807 118.700 0.066 0.000 2.571 215 N HA -0.135 4.606 4.740 0.001 0.000 0.189 215 N C 0.688 176.378 175.510 0.300 0.000 1.154 215 N CA 0.327 53.465 53.050 0.148 0.000 0.907 215 N CB -0.040 38.521 38.487 0.124 0.000 0.977 215 N HN 0.267 nan 8.380 nan 0.000 0.449 216 W N 1.045 122.391 121.300 0.077 0.000 2.576 216 W HA 0.300 4.961 4.660 0.001 0.000 0.270 216 W C 0.540 177.114 176.519 0.093 0.000 1.255 216 W CA -0.339 57.063 57.345 0.095 0.000 1.314 216 W CB -0.412 29.171 29.460 0.205 0.000 1.101 216 W HN 0.011 nan 8.180 nan 0.000 0.595 217 L N 1.838 123.270 121.223 0.349 0.000 2.281 217 L HA 0.214 4.555 4.340 0.001 0.000 0.285 217 L C 0.132 177.072 176.870 0.117 0.000 1.074 217 L CA 0.046 55.019 54.840 0.223 0.000 0.817 217 L CB 0.562 42.738 42.059 0.196 0.000 1.168 217 L HN -0.234 nan 8.230 nan 0.000 0.434 218 K N 6.343 126.787 120.400 0.074 0.000 2.527 218 K HA 0.430 4.751 4.320 0.001 0.000 0.240 218 K C -1.147 175.472 176.600 0.032 0.000 0.989 218 K CA -0.513 55.803 56.287 0.048 0.000 0.985 218 K CB 0.516 33.035 32.500 0.031 0.000 1.221 218 K HN 0.636 nan 8.250 nan 0.000 0.458 219 L N 1.727 122.970 121.223 0.033 0.000 2.468 219 L HA 0.210 4.551 4.340 0.001 0.000 0.254 219 L C 0.929 177.802 176.870 0.004 0.000 1.171 219 L CA -0.436 54.413 54.840 0.016 0.000 0.809 219 L CB 0.990 43.062 42.059 0.022 0.000 1.155 219 L HN 0.818 nan 8.230 nan 0.000 0.473 220 S N -1.000 114.691 115.700 -0.015 0.000 3.358 220 S HA -0.206 4.265 4.470 0.001 0.000 0.309 220 S C -0.015 174.571 174.600 -0.022 0.000 1.247 220 S CA 0.994 59.182 58.200 -0.020 0.000 0.961 220 S CB -1.291 61.912 63.200 0.004 0.000 1.074 220 S HN 0.777 nan 8.310 nan 0.000 0.625 221 c N 2.394 120.976 118.600 -0.030 0.000 2.251 221 c HA 0.655 5.225 4.570 0.001 0.000 0.323 221 c C 0.086 174.141 174.090 -0.057 0.000 1.241 221 c CA -0.726 55.594 56.329 -0.015 0.000 1.601 221 c CB 0.600 43.126 42.510 0.026 0.000 2.251 221 c HN 0.537 nan 8.230 nan 0.000 0.488 222 E N 5.169 125.336 120.200 -0.055 0.000 2.081 222 E HA 0.402 4.752 4.350 0.001 0.000 0.281 222 E C -0.685 175.899 176.600 -0.027 0.000 0.986 222 E CA -0.341 56.012 56.400 -0.078 0.000 0.796 222 E CB 1.259 30.937 29.700 -0.035 0.000 1.085 222 E HN 0.723 nan 8.360 nan 0.000 0.398 223 V N 6.063 125.955 119.914 -0.037 0.000 2.585 223 V HA -0.041 4.079 4.120 0.001 0.000 0.296 223 V C 1.218 177.294 176.094 -0.031 0.000 1.035 223 V CA 0.659 62.940 62.300 -0.032 0.000 1.084 223 V CB 0.894 32.687 31.823 -0.051 0.000 0.953 223 V HN 0.788 nan 8.190 nan 0.000 0.483 224 K N 2.383 122.759 120.400 -0.040 0.000 2.425 224 K HA 0.302 4.622 4.320 0.001 0.000 0.201 224 K C 0.325 176.872 176.600 -0.088 0.000 1.128 224 K CA 0.274 56.536 56.287 -0.040 0.000 1.000 224 K CB 0.804 33.294 32.500 -0.017 0.000 0.961 224 K HN 0.668 nan 8.250 nan 0.000 0.555 225 S N 0.307 115.933 115.700 -0.125 0.000 2.552 225 S HA 0.575 5.046 4.470 0.001 0.000 0.272 225 S C -1.019 173.452 174.600 -0.215 0.000 1.150 225 S CA -1.015 57.076 58.200 -0.182 0.000 0.849 225 S CB 1.220 64.358 63.200 -0.104 0.000 1.113 225 S HN 0.172 nan 8.310 nan 0.000 0.458 226 I N 1.558 121.945 120.570 -0.305 0.000 2.534 226 I HA 0.490 4.661 4.170 0.001 0.000 0.288 226 I C -0.906 175.142 176.117 -0.116 0.000 1.077 226 I CA -0.429 60.726 61.300 -0.242 0.000 1.051 226 I CB 2.554 40.321 38.000 -0.389 0.000 1.234 226 I HN 0.720 nan 8.210 nan 0.000 0.425 227 T N 4.459 118.982 114.554 -0.053 0.000 2.861 227 T HA 0.472 4.823 4.350 0.001 0.000 0.287 227 T C -0.517 174.181 174.700 -0.003 0.000 1.003 227 T CA -0.700 61.394 62.100 -0.009 0.000 0.977 227 T CB 1.955 70.814 68.868 -0.015 0.000 0.996 227 T HN 0.384 nan 8.240 nan 0.000 0.448 228 R N 2.729 123.239 120.500 0.016 0.000 2.295 228 R HA 0.356 4.696 4.340 0.001 0.000 0.324 228 R C -0.616 175.680 176.300 -0.006 0.000 0.968 228 R CA -0.494 55.606 56.100 0.000 0.000 0.837 228 R CB 0.464 30.773 30.300 0.014 0.000 1.133 228 R HN 0.404 nan 8.270 nan 0.000 0.450 229 E N 6.667 126.855 120.200 -0.021 0.000 2.089 229 E HA 0.184 4.535 4.350 0.001 0.000 0.284 229 E C -2.076 174.510 176.600 -0.024 0.000 1.023 229 E CA -2.471 53.917 56.400 -0.020 0.000 0.819 229 E CB 1.019 30.704 29.700 -0.026 0.000 1.076 229 E HN 0.498 nan 8.360 nan 0.000 0.396 230 P HA -0.058 nan 4.420 nan 0.000 0.232 230 P C -0.460 176.827 177.300 -0.022 0.000 1.606 230 P CA 0.324 63.414 63.100 -0.016 0.000 1.105 230 P CB -0.586 31.110 31.700 -0.007 0.000 1.919 231 S N -1.079 114.602 115.700 -0.032 0.000 2.539 231 S HA 0.382 4.852 4.470 0.001 0.000 0.176 231 S C 0.389 174.958 174.600 -0.051 0.000 0.829 231 S CA -0.136 58.043 58.200 -0.035 0.000 0.990 231 S CB -0.819 62.365 63.200 -0.027 0.000 1.717 231 S HN 0.357 nan 8.310 nan 0.000 0.519 232 K N -1.790 118.569 120.400 -0.069 0.000 3.451 232 K HA 0.103 4.423 4.320 0.001 0.000 0.273 232 K C -0.033 176.496 176.600 -0.119 0.000 0.944 232 K CA 1.881 58.105 56.287 -0.106 0.000 0.734 232 K CB -2.851 nan 32.500 nan 0.000 1.437 232 K HN 2.493 nan 8.250 nan 0.000 0.454 233 N N -1.455 117.178 118.700 -0.112 0.000 2.636 233 N HA 0.735 5.476 4.740 0.001 0.000 0.261 233 N C -0.958 174.499 175.510 -0.088 0.000 1.195 233 N CA 0.002 52.991 53.050 -0.102 0.000 0.902 233 N CB 2.028 40.475 38.487 -0.066 0.000 1.627 233 N HN 1.019 nan 8.380 nan 0.000 0.491 234 V N 1.421 121.285 119.914 -0.084 0.000 2.525 234 V HA 0.688 4.808 4.120 0.001 0.000 0.299 234 V C -0.093 175.975 176.094 -0.043 0.000 1.034 234 V CA -0.576 61.685 62.300 -0.064 0.000 0.863 234 V CB 1.635 33.412 31.823 -0.077 0.000 0.999 234 V HN 0.924 nan 8.190 nan 0.000 0.423 235 T N 4.463 118.997 114.554 -0.034 0.000 2.767 235 T HA 0.637 4.988 4.350 0.001 0.000 0.288 235 T C -0.297 174.387 174.700 -0.026 0.000 0.963 235 T CA -0.392 61.695 62.100 -0.021 0.000 1.019 235 T CB 1.526 70.379 68.868 -0.025 0.000 0.923 235 T HN 0.341 nan 8.240 nan 0.000 0.468 236 V N 4.213 124.131 119.914 0.007 0.000 2.604 236 V HA 0.474 4.595 4.120 0.001 0.000 0.305 236 V C -0.398 175.719 176.094 0.039 0.000 1.043 236 V CA -1.031 61.272 62.300 0.005 0.000 0.888 236 V CB 1.940 33.774 31.823 0.017 0.000 0.995 236 V HN 0.810 nan 8.190 nan 0.000 0.429 237 N N 2.171 120.870 118.700 -0.001 0.000 2.442 237 N HA 0.378 5.119 4.740 0.001 0.000 0.274 237 N C -0.658 174.857 175.510 0.008 0.000 1.002 237 N CA -0.300 52.747 53.050 -0.005 0.000 0.910 237 N CB 1.810 40.277 38.487 -0.032 0.000 1.244 237 N HN 0.576 nan 8.380 nan 0.000 0.492 238 c N 1.095 119.717 118.600 0.037 0.000 2.580 238 c HA 0.019 4.589 4.570 0.001 0.000 0.371 238 c C 2.235 176.329 174.090 0.007 0.000 1.308 238 c CA -0.213 56.138 56.329 0.036 0.000 2.428 238 c CB 0.318 42.871 42.510 0.071 0.000 2.529 238 c HN 0.772 nan 8.230 nan 0.000 0.657 239 E N 0.952 121.157 120.200 0.008 0.000 2.204 239 E HA -0.180 4.171 4.350 0.001 0.000 0.194 239 E C 0.743 177.344 176.600 0.002 0.000 0.989 239 E CA 1.795 58.199 56.400 0.007 0.000 0.824 239 E CB -0.456 29.256 29.700 0.020 0.000 0.756 239 E HN 0.797 nan 8.360 nan 0.000 0.477 240 D N -0.310 120.092 120.400 0.004 0.000 2.395 240 D HA 0.132 4.773 4.640 0.001 0.000 0.250 240 D C 1.336 177.624 176.300 -0.019 0.000 1.203 240 D CA 0.532 54.531 54.000 -0.002 0.000 0.872 240 D CB -0.019 40.785 40.800 0.006 0.000 0.941 240 D HN 0.328 nan 8.370 nan 0.000 0.504 241 G N 0.142 108.926 108.800 -0.026 0.000 2.377 241 G HA2 -0.376 3.585 3.960 0.001 0.000 0.250 241 G HA3 -0.376 3.585 3.960 0.001 0.000 0.250 241 G C 0.733 175.585 174.900 -0.080 0.000 1.039 241 G CA 0.723 45.796 45.100 -0.045 0.000 0.625 241 G HN 0.873 nan 8.290 nan 0.000 0.526 242 T N -0.626 113.867 114.554 -0.102 0.000 2.937 242 T HA 0.471 4.822 4.350 0.001 0.000 0.316 242 T C 0.139 174.679 174.700 -0.266 0.000 1.079 242 T CA 0.242 62.212 62.100 -0.218 0.000 1.131 242 T CB 2.186 70.897 68.868 -0.263 0.000 1.000 242 T HN 1.091 nan 8.240 nan 0.000 0.549 243 V N 2.808 122.483 119.914 -0.399 0.000 2.735 243 V HA 0.601 4.721 4.120 0.001 0.000 0.310 243 V C -1.072 174.747 176.094 -0.458 0.000 1.061 243 V CA -1.068 61.056 62.300 -0.294 0.000 0.913 243 V CB 1.486 33.212 31.823 -0.161 0.000 1.005 243 V HN 0.972 nan 8.190 nan 0.000 0.428 244 Y N 1.641 121.910 120.300 -0.051 0.000 2.576 244 Y HA 0.569 5.119 4.550 0.001 0.000 0.346 244 Y C 0.085 175.949 175.900 -0.061 0.000 1.018 244 Y CA -0.809 57.257 58.100 -0.056 0.000 1.050 244 Y CB 2.175 40.596 38.460 -0.065 0.000 1.280 244 Y HN 0.595 nan 8.280 nan 0.000 0.474 245 N N 1.119 119.899 118.700 0.133 0.000 2.238 245 N HA 0.793 5.533 4.740 0.001 0.000 0.302 245 N C -1.844 173.670 175.510 0.006 0.000 1.072 245 N CA -0.233 52.839 53.050 0.036 0.000 0.792 245 N CB 2.075 40.569 38.487 0.011 0.000 1.425 245 N HN 0.869 nan 8.380 nan 0.000 0.478 246 A N 2.032 124.831 122.820 -0.036 0.000 2.604 246 A HA 0.358 4.678 4.320 0.001 0.000 0.295 246 A C -0.080 177.440 177.584 -0.106 0.000 1.067 246 A CA -0.552 51.446 52.037 -0.065 0.000 0.683 246 A CB 0.970 19.923 19.000 -0.078 0.000 1.281 246 A HN 0.641 nan 8.150 nan 0.000 0.407 247 D N -0.411 119.920 120.400 -0.115 0.000 2.149 247 D HA 0.058 4.698 4.640 0.001 0.000 0.201 247 D C -0.442 175.532 176.300 -0.544 0.000 0.972 247 D CA 2.192 56.024 54.000 -0.280 0.000 0.835 247 D CB 0.069 40.781 40.800 -0.148 0.000 0.966 247 D HN 0.528 nan 8.370 nan 0.000 0.476 248 Y N -1.175 119.075 120.300 -0.085 0.000 2.588 248 Y HA 0.373 4.923 4.550 0.001 0.000 0.343 248 Y C -0.307 175.521 175.900 -0.120 0.000 1.065 248 Y CA -1.336 56.707 58.100 -0.095 0.000 1.038 248 Y CB 2.185 40.589 38.460 -0.095 0.000 1.297 248 Y HN -0.320 nan 8.280 nan 0.000 0.467 249 V N 0.018 119.963 119.914 0.050 0.000 2.841 249 V HA 0.696 4.817 4.120 0.001 0.000 0.310 249 V C -1.165 174.881 176.094 -0.080 0.000 1.090 249 V CA -0.997 61.273 62.300 -0.049 0.000 0.930 249 V CB 2.039 33.816 31.823 -0.077 0.000 1.014 249 V HN 0.694 nan 8.190 nan 0.000 0.425 250 I N 4.858 125.367 120.570 -0.100 0.000 2.382 250 I HA 0.481 4.651 4.170 0.001 0.000 0.285 250 I C -0.587 175.482 176.117 -0.080 0.000 1.007 250 I CA -0.393 60.843 61.300 -0.107 0.000 1.142 250 I CB 1.692 39.638 38.000 -0.090 0.000 1.289 250 I HN 0.548 nan 8.210 nan 0.000 0.453 251 I N 5.786 126.294 120.570 -0.103 0.000 2.352 251 I HA 0.136 4.306 4.170 0.001 0.000 0.290 251 I C 1.074 177.303 176.117 0.187 0.000 1.036 251 I CA 0.155 61.481 61.300 0.042 0.000 1.336 251 I CB 1.218 39.257 38.000 0.065 0.000 1.407 251 I HN 0.623 nan 8.210 nan 0.000 0.497 252 T N 2.533 117.191 114.554 0.172 0.000 3.200 252 T HA 0.214 4.564 4.350 0.001 0.000 0.284 252 T C 0.211 175.054 174.700 0.239 0.000 1.009 252 T CA -0.432 61.792 62.100 0.207 0.000 0.907 252 T CB -0.415 68.527 68.868 0.124 0.000 1.120 252 T HN 0.327 nan 8.240 nan 0.000 0.534 253 V N -0.368 119.690 119.914 0.240 0.000 2.843 253 V HA 0.494 4.615 4.120 0.001 0.000 0.305 253 V C -2.600 173.589 176.094 0.158 0.000 1.065 253 V CA -2.117 60.296 62.300 0.187 0.000 1.116 253 V CB -0.111 31.815 31.823 0.171 0.000 0.968 253 V HN 0.041 nan 8.190 nan 0.000 0.487 254 P HA -0.005 nan 4.420 nan 0.000 0.266 254 P C 0.716 177.812 177.300 -0.340 0.000 1.186 254 P CA 0.328 63.378 63.100 -0.084 0.000 0.767 254 P CB 0.323 32.011 31.700 -0.021 0.000 0.820 255 Q N 2.231 121.626 119.800 -0.676 0.000 2.152 255 Q HA -0.228 4.112 4.340 0.001 0.000 0.206 255 Q C 1.689 177.482 176.000 -0.344 0.000 0.985 255 Q CA 2.407 57.877 55.803 -0.555 0.000 0.863 255 Q CB -0.273 28.235 28.738 -0.383 0.000 0.904 255 Q HN 0.596 nan 8.270 nan 0.000 0.422 256 S N -0.970 114.279 115.700 -0.751 0.000 2.383 256 S HA -0.097 4.373 4.470 0.001 0.000 0.227 256 S C 1.924 176.318 174.600 -0.344 0.000 1.026 256 S CA 1.250 59.038 58.200 -0.685 0.000 0.981 256 S CB -0.510 62.031 63.200 -1.098 0.000 0.818 256 S HN 0.252 nan 8.310 nan 0.000 0.472 257 V N 1.670 121.441 119.914 -0.240 0.000 2.379 257 V HA -0.011 4.109 4.120 0.001 0.000 0.245 257 V C 2.450 178.515 176.094 -0.048 0.000 1.044 257 V CA 1.431 63.678 62.300 -0.089 0.000 1.036 257 V CB -0.889 30.944 31.823 0.016 0.000 0.664 257 V HN 0.449 nan 8.190 nan 0.000 0.453 258 L N 1.009 122.227 121.223 -0.009 0.000 2.191 258 L HA -0.128 4.212 4.340 0.001 0.000 0.212 258 L C 2.134 178.924 176.870 -0.134 0.000 1.103 258 L CA 1.725 56.619 54.840 0.090 0.000 0.769 258 L CB -1.144 41.048 42.059 0.221 0.000 0.908 258 L HN 0.302 nan 8.230 nan 0.000 0.438 259 N N -0.051 118.433 118.700 -0.360 0.000 2.166 259 N HA -0.178 4.563 4.740 0.001 0.000 0.186 259 N C 1.810 177.007 175.510 -0.522 0.000 1.019 259 N CA 1.418 53.935 53.050 -0.888 0.000 0.856 259 N CB -0.193 37.922 38.487 -0.620 0.000 0.993 259 N HN 0.457 nan 8.380 nan 0.000 0.426 260 L N 0.189 121.253 121.223 -0.266 0.000 2.263 260 L HA -0.143 4.197 4.340 0.001 0.000 0.216 260 L C 2.103 178.910 176.870 -0.105 0.000 1.111 260 L CA 0.672 55.421 54.840 -0.152 0.000 0.773 260 L CB -0.346 41.664 42.059 -0.082 0.000 0.906 260 L HN 0.081 nan 8.230 nan 0.000 0.439 261 S N -0.225 115.425 115.700 -0.084 0.000 2.406 261 S HA -0.087 4.383 4.470 0.001 0.000 0.228 261 S C 1.650 176.230 174.600 -0.033 0.000 1.020 261 S CA 1.215 59.434 58.200 0.033 0.000 0.965 261 S CB -0.078 63.256 63.200 0.223 0.000 0.798 261 S HN 0.455 nan 8.310 nan 0.000 0.488 262 V N -0.311 119.499 119.914 -0.174 0.000 3.563 262 V HA 0.327 4.447 4.120 0.001 0.000 0.299 262 V C -0.100 175.928 176.094 -0.110 0.000 1.290 262 V CA 0.002 62.216 62.300 -0.143 0.000 1.201 262 V CB -0.888 30.805 31.823 -0.216 0.000 1.045 262 V HN 0.209 nan 8.190 nan 0.000 0.425 263 Q N 1.434 121.179 119.800 -0.092 0.000 2.423 263 Q HA 0.579 4.919 4.340 0.001 0.000 0.278 263 Q C -2.764 173.215 176.000 -0.034 0.000 1.097 263 Q CA -1.874 53.890 55.803 -0.065 0.000 0.809 263 Q CB 2.852 31.540 28.738 -0.083 0.000 1.391 263 Q HN 0.233 nan 8.270 nan 0.000 0.428 264 P HA 0.126 nan 4.420 nan 0.000 0.274 264 P C -0.889 176.403 177.300 -0.014 0.000 1.231 264 P CA 0.031 63.124 63.100 -0.012 0.000 0.790 264 P CB 0.949 32.644 31.700 -0.009 0.000 0.951 265 E N 0.186 120.382 120.200 -0.008 0.000 7.508 265 E HA 0.005 4.356 4.350 0.001 0.000 0.230 265 E C -0.320 176.276 176.600 -0.007 0.000 0.857 265 E CA 0.908 57.303 56.400 -0.008 0.000 1.624 265 E CB -1.474 28.218 29.700 -0.013 0.000 0.900 265 E HN 0.508 nan 8.360 nan 0.000 0.262 266 K N 4.129 124.528 120.400 -0.003 0.000 2.361 266 K HA 0.207 4.528 4.320 0.001 0.000 0.194 266 K C 1.141 177.741 176.600 -0.000 0.000 1.032 266 K CA 0.835 57.122 56.287 0.001 0.000 1.048 266 K CB -0.102 32.400 32.500 0.002 0.000 0.842 266 K HN 0.539 nan 8.250 nan 0.000 0.526 267 N N 1.079 119.778 118.700 -0.003 0.000 2.623 267 N HA 0.169 4.910 4.740 0.001 0.000 0.263 267 N C -1.021 174.485 175.510 -0.006 0.000 1.218 267 N CA -0.212 52.837 53.050 -0.002 0.000 0.949 267 N CB -0.243 38.242 38.487 -0.003 0.000 1.270 267 N HN 0.307 nan 8.380 nan 0.000 0.507 268 L N 1.595 122.814 121.223 -0.007 0.000 2.296 268 L HA 0.406 4.747 4.340 0.001 0.000 0.286 268 L C 0.333 177.198 176.870 -0.009 0.000 1.023 268 L CA -0.916 53.913 54.840 -0.019 0.000 0.812 268 L CB 1.526 43.569 42.059 -0.027 0.000 1.223 268 L HN 0.100 nan 8.230 nan 0.000 0.421 269 R N 1.898 122.378 120.500 -0.034 0.000 2.504 269 R HA 0.182 4.523 4.340 0.001 0.000 0.291 269 R C 1.161 177.465 176.300 0.008 0.000 0.974 269 R CA 1.254 57.335 56.100 -0.031 0.000 1.077 269 R CB 0.090 30.283 30.300 -0.179 0.000 0.926 269 R HN 0.957 nan 8.270 nan 0.000 0.407 270 G N 2.197 111.142 108.800 0.243 0.000 2.253 270 G HA2 -0.372 3.589 3.960 0.001 0.000 0.251 270 G HA3 -0.372 3.589 3.960 0.001 0.000 0.251 270 G C 0.302 175.292 174.900 0.149 0.000 0.998 270 G CA 0.178 45.475 45.100 0.330 0.000 0.621 270 G HN 0.607 nan 8.290 nan 0.000 0.524 271 R N 0.783 121.330 120.500 0.078 0.000 2.570 271 R HA 0.493 4.833 4.340 0.001 0.000 0.277 271 R C -0.064 176.258 176.300 0.038 0.000 1.039 271 R CA 0.012 56.141 56.100 0.049 0.000 1.065 271 R CB 0.021 30.333 30.300 0.020 0.000 0.964 271 R HN 0.325 nan 8.270 nan 0.000 0.428 272 I N 3.176 123.770 120.570 0.040 0.000 2.378 272 I HA 0.159 4.329 4.170 0.001 0.000 0.291 272 I C -0.390 175.692 176.117 -0.058 0.000 0.992 272 I CA -0.844 60.412 61.300 -0.073 0.000 1.154 272 I CB 1.906 39.784 38.000 -0.204 0.000 1.315 272 I HN 0.606 nan 8.210 nan 0.000 0.448 273 E N 6.194 126.333 120.200 -0.102 0.000 2.152 273 E HA 0.329 4.679 4.350 0.001 0.000 0.285 273 E C -1.597 174.952 176.600 -0.086 0.000 1.043 273 E CA -0.055 56.335 56.400 -0.017 0.000 0.839 273 E CB 0.479 30.169 29.700 -0.017 0.000 1.069 273 E HN 0.237 nan 8.360 nan 0.000 0.399 274 F N 3.511 123.482 119.950 0.036 0.000 2.420 274 F HA 0.383 4.911 4.527 0.001 0.000 0.342 274 F C 0.281 176.099 175.800 0.031 0.000 1.113 274 F CA -0.445 57.581 58.000 0.043 0.000 1.059 274 F CB 1.521 40.566 39.000 0.075 0.000 1.128 274 F HN 0.287 nan 8.300 nan 0.000 0.475 275 Q N 5.297 125.209 119.800 0.186 0.000 2.337 275 Q HA 0.296 4.636 4.340 0.001 0.000 0.260 275 Q C -2.620 173.441 176.000 0.102 0.000 0.982 275 Q CA -2.068 53.803 55.803 0.114 0.000 0.734 275 Q CB 2.339 31.110 28.738 0.055 0.000 1.272 275 Q HN 0.295 nan 8.270 nan 0.000 0.461 276 P HA 0.194 nan 4.420 nan 0.000 0.272 276 P C -2.454 174.930 177.300 0.140 0.000 1.230 276 P CA -1.134 62.023 63.100 0.095 0.000 0.788 276 P CB 0.136 31.875 31.700 0.063 0.000 0.949 277 P HA 0.042 nan 4.420 nan 0.000 0.269 277 P C 0.137 177.464 177.300 0.044 0.000 1.217 277 P CA 0.099 63.268 63.100 0.114 0.000 0.783 277 P CB 0.467 32.210 31.700 0.072 0.000 0.898 278 L N 1.358 122.550 121.223 -0.051 0.000 2.559 278 L HA -0.010 4.331 4.340 0.001 0.000 0.282 278 L C 1.478 178.324 176.870 -0.041 0.000 1.232 278 L CA 0.318 55.077 54.840 -0.136 0.000 0.885 278 L CB -0.524 41.393 42.059 -0.236 0.000 1.131 278 L HN 0.305 nan 8.230 nan 0.000 0.498 279 K N 4.674 125.059 120.400 -0.026 0.000 2.518 279 K HA -0.023 4.298 4.320 0.001 0.000 0.276 279 K C -1.328 175.265 176.600 -0.012 0.000 0.974 279 K CA -1.023 55.259 56.287 -0.009 0.000 0.986 279 K CB 0.173 32.671 32.500 -0.003 0.000 0.901 279 K HN 0.409 nan 8.250 nan 0.000 0.497 280 P HA -0.176 nan 4.420 nan 0.000 0.217 280 P C 1.262 178.554 177.300 -0.014 0.000 1.148 280 P CA 1.083 64.182 63.100 -0.001 0.000 0.828 280 P CB 0.083 31.784 31.700 0.002 0.000 0.783 281 V N -0.221 119.676 119.914 -0.028 0.000 2.490 281 V HA -0.202 3.919 4.120 0.001 0.000 0.250 281 V C 2.614 178.653 176.094 -0.092 0.000 1.061 281 V CA 1.459 63.729 62.300 -0.050 0.000 1.064 281 V CB -0.861 30.933 31.823 -0.047 0.000 0.670 281 V HN 0.035 nan 8.190 nan 0.000 0.461 282 I N -1.006 119.504 120.570 -0.100 0.000 2.235 282 I HA -0.203 3.968 4.170 0.001 0.000 0.241 282 I C 2.652 178.717 176.117 -0.087 0.000 1.085 282 I CA 1.200 62.392 61.300 -0.181 0.000 1.378 282 I CB -0.394 37.493 38.000 -0.188 0.000 1.076 282 I HN 0.283 nan 8.210 nan 0.000 0.415 283 Q N 0.809 120.646 119.800 0.062 0.000 2.029 283 Q HA -0.301 4.040 4.340 0.001 0.000 0.209 283 Q C 1.765 177.883 176.000 0.196 0.000 0.999 283 Q CA 2.344 58.267 55.803 0.201 0.000 0.857 283 Q CB -0.176 28.609 28.738 0.079 0.000 0.926 283 Q HN 0.451 nan 8.270 nan 0.000 0.415 284 D N -0.350 120.082 120.400 0.054 0.000 2.218 284 D HA -0.112 4.529 4.640 0.001 0.000 0.204 284 D C 1.463 177.746 176.300 -0.029 0.000 0.976 284 D CA 1.075 55.088 54.000 0.022 0.000 0.853 284 D CB -0.186 40.612 40.800 -0.003 0.000 0.939 284 D HN 0.327 nan 8.370 nan 0.000 0.481 285 A N -0.314 122.427 122.820 -0.130 0.000 2.067 285 A HA -0.099 4.222 4.320 0.001 0.000 0.219 285 A C 1.730 179.137 177.584 -0.296 0.000 1.158 285 A CA 0.555 52.446 52.037 -0.245 0.000 0.661 285 A CB -0.870 17.911 19.000 -0.365 0.000 0.801 285 A HN 0.200 nan 8.150 nan 0.000 0.452 286 F N 0.420 120.284 119.950 -0.144 0.000 2.451 286 F HA -0.098 4.429 4.527 0.001 0.000 0.299 286 F C 1.399 177.059 175.800 -0.233 0.000 1.101 286 F CA 1.024 58.909 58.000 -0.191 0.000 1.436 286 F CB 0.102 39.007 39.000 -0.159 0.000 1.074 286 F HN 0.220 nan 8.300 nan 0.000 0.553 287 D N -0.485 119.921 120.400 0.011 0.000 2.349 287 D HA -0.022 4.618 4.640 0.001 0.000 0.215 287 D C 1.458 177.743 176.300 -0.026 0.000 1.016 287 D CA 0.599 54.603 54.000 0.007 0.000 0.870 287 D CB -0.033 40.799 40.800 0.054 0.000 0.917 287 D HN 0.177 nan 8.370 nan 0.000 0.524 288 K N 0.312 120.653 120.400 -0.100 0.000 2.455 288 K HA 0.252 4.572 4.320 0.001 0.000 0.206 288 K C -0.035 176.492 176.600 -0.121 0.000 1.027 288 K CA -0.455 55.794 56.287 -0.063 0.000 1.113 288 K CB 1.369 33.837 32.500 -0.053 0.000 0.850 288 K HN 0.090 nan 8.250 nan 0.000 0.503 289 I N -0.751 119.626 120.570 -0.322 0.000 2.828 289 I HA 0.247 4.417 4.170 0.001 0.000 0.295 289 I C -1.371 174.361 176.117 -0.643 0.000 1.459 289 I CA -0.488 60.641 61.300 -0.286 0.000 1.015 289 I CB 1.490 39.383 38.000 -0.179 0.000 1.345 289 I HN 0.104 nan 8.210 nan 0.000 0.449 290 H N 4.405 123.317 119.070 -0.263 0.000 3.471 290 H HA 0.701 5.258 4.556 0.001 0.000 0.318 290 H C -1.662 173.622 175.328 -0.073 0.000 1.676 290 H CA -0.437 55.404 56.048 -0.346 0.000 1.293 290 H CB 1.004 30.085 29.762 -1.135 0.000 1.738 290 H HN 0.385 nan 8.280 nan 0.000 0.690 291 F N 0.409 120.268 119.950 -0.152 0.000 2.529 291 F HA 0.579 5.107 4.527 0.001 0.000 0.320 291 F C 0.474 176.260 175.800 -0.023 0.000 1.118 291 F CA -0.512 57.444 58.000 -0.073 0.000 0.915 291 F CB 1.667 40.644 39.000 -0.039 0.000 1.161 291 F HN 0.585 nan 8.300 nan 0.000 0.445 292 G N 1.511 110.137 108.800 -0.290 0.000 2.511 292 G HA2 0.586 4.546 3.960 0.001 0.000 0.316 292 G HA3 0.586 4.546 3.960 0.001 0.000 0.316 292 G C -1.333 173.411 174.900 -0.260 0.000 1.210 292 G CA -0.521 44.461 45.100 -0.197 0.000 0.969 292 G HN 0.918 nan 8.290 nan 0.000 0.492 293 A N 0.498 123.241 122.820 -0.128 0.000 3.105 293 A HA 0.514 4.834 4.320 0.001 0.000 0.336 293 A C -0.431 177.121 177.584 -0.053 0.000 1.042 293 A CA -0.438 51.559 52.037 -0.068 0.000 0.851 293 A CB 0.130 19.162 19.000 0.053 0.000 1.068 293 A HN 0.612 nan 8.150 nan 0.000 0.477 294 L N 1.643 122.771 121.223 -0.158 0.000 2.367 294 L HA 0.649 4.989 4.340 0.001 0.000 0.275 294 L C 0.574 177.492 176.870 0.080 0.000 1.129 294 L CA 0.764 55.589 54.840 -0.025 0.000 0.839 294 L CB 1.001 43.047 42.059 -0.021 0.000 1.133 294 L HN 0.484 nan 8.230 nan 0.000 0.453 295 G N 4.035 112.903 108.800 0.113 0.000 2.630 295 G HA2 0.619 4.580 3.960 0.001 0.000 0.296 295 G HA3 0.619 4.580 3.960 0.001 0.000 0.296 295 G C -1.481 173.476 174.900 0.095 0.000 1.285 295 G CA -0.744 44.443 45.100 0.145 0.000 0.958 295 G HN 0.527 nan 8.290 nan 0.000 0.479 296 K N -0.549 119.885 120.400 0.058 0.000 2.426 296 K HA 0.664 4.984 4.320 0.001 0.000 0.251 296 K C -1.495 175.009 176.600 -0.161 0.000 0.941 296 K CA -0.797 55.469 56.287 -0.035 0.000 0.808 296 K CB 3.091 35.599 32.500 0.012 0.000 1.265 296 K HN 0.244 nan 8.250 nan 0.000 0.432 297 V N 3.517 123.255 119.914 -0.293 0.000 2.525 297 V HA 0.352 4.472 4.120 0.001 0.000 0.299 297 V C -0.793 174.932 176.094 -0.614 0.000 1.034 297 V CA -0.927 61.056 62.300 -0.529 0.000 0.863 297 V CB 1.683 33.030 31.823 -0.792 0.000 0.999 297 V HN 0.612 nan 8.190 nan 0.000 0.423 298 I N 4.903 125.104 120.570 -0.615 0.000 2.307 298 I HA 0.409 4.579 4.170 0.001 0.000 0.289 298 I C -0.469 175.296 176.117 -0.587 0.000 1.021 298 I CA -0.372 60.597 61.300 -0.552 0.000 1.224 298 I CB 0.617 38.209 38.000 -0.679 0.000 1.376 298 I HN 0.418 nan 8.210 nan 0.000 0.470 299 F N 4.857 124.724 119.950 -0.138 0.000 2.350 299 F HA 0.302 4.830 4.527 0.001 0.000 0.365 299 F C 0.945 176.694 175.800 -0.085 0.000 1.122 299 F CA -0.455 57.459 58.000 -0.142 0.000 1.139 299 F CB 0.678 39.670 39.000 -0.013 0.000 1.220 299 F HN 0.390 nan 8.300 nan 0.000 0.499 300 E N 4.043 124.182 120.200 -0.103 0.000 2.146 300 E HA 0.370 4.720 4.350 0.001 0.000 0.282 300 E C -0.995 175.509 176.600 -0.158 0.000 0.989 300 E CA -0.502 55.909 56.400 0.018 0.000 0.799 300 E CB 1.302 31.016 29.700 0.022 0.000 1.088 300 E HN 0.331 nan 8.360 nan 0.000 0.397 301 F N 0.993 121.083 119.950 0.234 0.000 2.541 301 F HA 0.153 4.681 4.527 0.001 0.000 0.331 301 F C 1.649 177.525 175.800 0.127 0.000 1.057 301 F CA -0.802 57.318 58.000 0.199 0.000 0.975 301 F CB 1.104 40.367 39.000 0.439 0.000 1.246 301 F HN 0.411 nan 8.300 nan 0.000 0.484 302 E N 1.125 121.478 120.200 0.255 0.000 2.012 302 E HA -0.164 4.187 4.350 0.001 0.000 0.197 302 E C -0.196 176.533 176.600 0.215 0.000 1.007 302 E CA 1.769 58.285 56.400 0.194 0.000 0.816 302 E CB -0.011 29.773 29.700 0.140 0.000 0.762 302 E HN 0.680 nan 8.360 nan 0.000 0.451 303 E N -1.902 118.395 120.200 0.161 0.000 2.429 303 E HA 0.314 4.664 4.350 0.001 0.000 0.276 303 E C -1.266 175.216 176.600 -0.197 0.000 0.953 303 E CA -0.894 55.519 56.400 0.021 0.000 0.787 303 E CB 1.013 30.707 29.700 -0.010 0.000 1.307 303 E HN 0.134 nan 8.360 nan 0.000 0.458 304 C N 2.320 121.366 119.300 -0.424 0.000 2.442 304 C HA 0.454 4.915 4.460 0.001 0.000 0.362 304 C C 0.715 175.199 174.990 -0.843 0.000 1.242 304 C CA -0.302 58.077 59.018 -1.066 0.000 1.741 304 C CB -1.813 25.406 27.740 -0.869 0.000 2.378 304 C HN 0.676 nan 8.230 nan 0.000 0.549 305 C N 5.686 124.459 119.300 -0.877 0.000 3.114 305 C HA 0.733 5.194 4.460 0.001 0.000 0.215 305 C C -0.711 174.203 174.990 -0.127 0.000 1.759 305 C CA -0.824 57.985 59.018 -0.349 0.000 1.455 305 C CB -2.351 25.315 27.740 -0.123 0.000 2.528 305 C HN 0.991 nan 8.230 nan 0.000 0.511 306 W N -0.690 120.586 121.300 -0.040 0.000 3.118 306 W HA 0.720 5.381 4.660 0.001 0.000 0.328 306 W C -0.428 176.075 176.519 -0.026 0.000 1.239 306 W CA -1.207 56.116 57.345 -0.036 0.000 1.176 306 W CB 0.195 29.636 29.460 -0.033 0.000 1.433 306 W HN 0.155 nan 8.180 nan 0.000 0.562 307 S N 1.485 117.345 115.700 0.266 0.000 2.549 307 S HA 0.091 4.562 4.470 0.001 0.000 0.286 307 S C 0.125 174.859 174.600 0.223 0.000 1.314 307 S CA 0.032 58.328 58.200 0.160 0.000 1.062 307 S CB 0.035 63.300 63.200 0.109 0.000 0.865 307 S HN 0.503 nan 8.310 nan 0.000 0.498 308 N N 3.708 122.474 118.700 0.110 0.000 2.546 308 N HA 0.092 4.833 4.740 0.001 0.000 0.286 308 N C 1.009 176.548 175.510 0.048 0.000 1.259 308 N CA -0.097 53.010 53.050 0.095 0.000 0.939 308 N CB 0.523 39.031 38.487 0.035 0.000 1.243 308 N HN 0.828 nan 8.380 nan 0.000 0.511 309 E N 0.024 120.254 120.200 0.049 0.000 2.058 309 E HA -0.093 4.257 4.350 0.001 0.000 0.194 309 E C 0.084 176.688 176.600 0.006 0.000 0.997 309 E CA 0.757 57.170 56.400 0.022 0.000 0.801 309 E CB 0.323 30.037 29.700 0.022 0.000 0.746 309 E HN 0.143 nan 8.360 nan 0.000 0.450 310 S N -1.978 113.723 115.700 0.000 0.000 2.618 310 S HA 0.244 4.715 4.470 0.001 0.000 0.277 310 S C 0.070 174.639 174.600 -0.051 0.000 1.138 310 S CA -0.181 57.999 58.200 -0.032 0.000 0.844 310 S CB 1.728 64.893 63.200 -0.059 0.000 1.127 310 S HN 0.155 nan 8.310 nan 0.000 0.474 311 S N 1.293 116.944 115.700 -0.082 0.000 2.540 311 S HA 0.397 4.868 4.470 0.001 0.000 0.218 311 S C -0.161 174.350 174.600 -0.148 0.000 0.977 311 S CA -0.323 57.811 58.200 -0.110 0.000 0.918 311 S CB -0.120 63.022 63.200 -0.098 0.000 0.806 311 S HN 0.469 nan 8.310 nan 0.000 0.496 312 K N 1.771 122.041 120.400 -0.217 0.000 2.450 312 K HA 0.582 4.903 4.320 0.001 0.000 0.257 312 K C -1.220 175.204 176.600 -0.293 0.000 0.953 312 K CA -0.229 55.837 56.287 -0.368 0.000 0.844 312 K CB 1.729 33.628 32.500 -1.003 0.000 1.103 312 K HN 0.321 nan 8.250 nan 0.000 0.429 313 I N 1.954 122.494 120.570 -0.050 0.000 2.569 313 I HA 0.359 4.530 4.170 0.001 0.000 0.290 313 I C -0.619 175.680 176.117 0.304 0.000 1.088 313 I CA -1.277 60.053 61.300 0.050 0.000 1.047 313 I CB 2.321 40.348 38.000 0.044 0.000 1.237 313 I HN 0.019 nan 8.210 nan 0.000 0.421 314 V N 3.623 123.696 119.914 0.264 0.000 2.487 314 V HA 0.418 4.539 4.120 0.001 0.000 0.298 314 V C 0.105 176.434 176.094 0.392 0.000 1.028 314 V CA -0.573 62.001 62.300 0.457 0.000 0.860 314 V CB 2.124 34.263 31.823 0.527 0.000 0.991 314 V HN 0.852 nan 8.190 nan 0.000 0.427 315 T N 4.038 118.827 114.554 0.391 0.000 2.744 315 T HA 0.682 5.032 4.350 0.001 0.000 0.291 315 T C -0.289 174.626 174.700 0.358 0.000 0.957 315 T CA -0.531 61.755 62.100 0.310 0.000 1.002 315 T CB 0.508 69.444 68.868 0.112 0.000 0.919 315 T HN 0.351 nan 8.240 nan 0.000 0.468 316 L N 2.802 124.263 121.223 0.397 0.000 2.436 316 L HA 0.554 4.894 4.340 0.001 0.000 0.265 316 L C 1.248 178.347 176.870 0.383 0.000 1.168 316 L CA -0.988 54.054 54.840 0.337 0.000 0.815 316 L CB 0.308 42.537 42.059 0.284 0.000 1.109 316 L HN 0.887 nan 8.230 nan 0.000 0.462 317 A N 2.385 125.355 122.820 0.251 0.000 2.280 317 A HA 0.257 4.578 4.320 0.001 0.000 0.268 317 A C -0.015 177.701 177.584 0.220 0.000 1.111 317 A CA -0.579 51.610 52.037 0.254 0.000 0.814 317 A CB 0.079 19.141 19.000 0.103 0.000 1.093 317 A HN 0.771 nan 8.150 nan 0.000 0.498 318 N N 0.361 119.168 118.700 0.177 0.000 2.508 318 N HA 0.358 5.098 4.740 0.001 0.000 0.264 318 N C 0.006 175.540 175.510 0.040 0.000 1.216 318 N CA 0.523 53.615 53.050 0.071 0.000 0.943 318 N CB 0.900 39.396 38.487 0.015 0.000 1.113 318 N HN 0.737 nan 8.380 nan 0.000 0.447 319 S N -1.055 114.659 115.700 0.023 0.000 2.667 319 S HA 0.827 5.298 4.470 0.001 0.000 0.292 319 S C -0.326 174.253 174.600 -0.034 0.000 1.126 319 S CA -0.832 57.343 58.200 -0.043 0.000 0.881 319 S CB 1.816 64.949 63.200 -0.113 0.000 1.132 319 S HN 0.580 nan 8.310 nan 0.000 0.492 320 T N -1.364 113.182 114.554 -0.014 0.000 2.900 320 T HA 0.490 4.841 4.350 0.001 0.000 0.303 320 T C -0.001 174.723 174.700 0.040 0.000 1.142 320 T CA -0.937 61.172 62.100 0.015 0.000 1.007 320 T CB 1.257 70.152 68.868 0.045 0.000 1.156 320 T HN 0.409 nan 8.240 nan 0.000 0.490 321 N N 0.707 119.411 118.700 0.007 0.000 2.381 321 N HA -0.056 4.684 4.740 0.001 0.000 0.182 321 N C 1.308 176.827 175.510 0.016 0.000 1.025 321 N CA 0.774 53.824 53.050 -0.000 0.000 0.888 321 N CB -0.179 38.300 38.487 -0.014 0.000 0.965 321 N HN 0.684 nan 8.380 nan 0.000 0.438 322 E N 0.471 120.694 120.200 0.039 0.000 2.077 322 E HA -0.118 4.233 4.350 0.001 0.000 0.193 322 E C 1.546 178.174 176.600 0.047 0.000 0.989 322 E CA 0.528 56.949 56.400 0.034 0.000 0.800 322 E CB -0.437 29.291 29.700 0.047 0.000 0.746 322 E HN 0.362 nan 8.360 nan 0.000 0.452 323 F N 0.667 120.602 119.950 -0.024 0.000 2.095 323 F HA -0.237 4.290 4.527 0.001 0.000 0.298 323 F C 1.927 177.707 175.800 -0.034 0.000 1.104 323 F CA 1.138 59.130 58.000 -0.012 0.000 1.232 323 F CB -0.426 38.577 39.000 0.005 0.000 0.987 323 F HN -0.132 nan 8.300 nan 0.000 0.475 324 V N 0.844 120.658 119.914 -0.166 0.000 2.287 324 V HA -0.319 3.801 4.120 0.001 0.000 0.248 324 V C 2.814 178.752 176.094 -0.259 0.000 1.053 324 V CA 2.590 64.738 62.300 -0.254 0.000 1.027 324 V CB -1.924 29.844 31.823 -0.093 0.000 0.646 324 V HN 0.570 nan 8.190 nan 0.000 0.447 325 E N 0.080 120.182 120.200 -0.163 0.000 2.085 325 E HA -0.241 4.109 4.350 0.001 0.000 0.194 325 E C 1.968 178.467 176.600 -0.168 0.000 0.994 325 E CA 1.941 58.261 56.400 -0.134 0.000 0.801 325 E CB -0.651 29.001 29.700 -0.080 0.000 0.743 325 E HN 0.665 nan 8.360 nan 0.000 0.453 326 I N 0.383 120.834 120.570 -0.198 0.000 2.286 326 I HA -0.211 3.960 4.170 0.001 0.000 0.248 326 I C 2.584 178.541 176.117 -0.266 0.000 1.115 326 I CA 1.059 62.242 61.300 -0.195 0.000 1.392 326 I CB -0.187 37.720 38.000 -0.156 0.000 1.065 326 I HN 0.205 nan 8.210 nan 0.000 0.418 327 V N 0.769 120.427 119.914 -0.426 0.000 2.358 327 V HA -0.205 3.915 4.120 0.001 0.000 0.246 327 V C 2.625 178.558 176.094 -0.269 0.000 1.047 327 V CA 1.541 63.599 62.300 -0.404 0.000 1.035 327 V CB -0.697 30.791 31.823 -0.559 0.000 0.658 327 V HN 0.357 nan 8.190 nan 0.000 0.452 328 R N 0.828 121.185 120.500 -0.237 0.000 2.096 328 R HA -0.076 4.264 4.340 0.001 0.000 0.235 328 R C 1.800 178.011 176.300 -0.148 0.000 1.127 328 R CA 1.265 57.258 56.100 -0.178 0.000 0.968 328 R CB -0.816 29.395 30.300 -0.148 0.000 0.861 328 R HN 0.559 nan 8.270 nan 0.000 0.440 329 N N 0.362 118.978 118.700 -0.139 0.000 2.373 329 N HA 0.046 4.787 4.740 0.001 0.000 0.181 329 N C 0.219 175.667 175.510 -0.103 0.000 1.082 329 N CA 0.240 53.225 53.050 -0.108 0.000 0.885 329 N CB 0.195 38.628 38.487 -0.090 0.000 0.977 329 N HN 0.063 nan 8.380 nan 0.000 0.462 330 A N 0.989 123.737 122.820 -0.121 0.000 2.477 330 A HA 0.413 4.734 4.320 0.001 0.000 0.246 330 A C 1.332 178.858 177.584 -0.096 0.000 1.078 330 A CA 0.470 52.444 52.037 -0.105 0.000 0.770 330 A CB 0.187 nan 19.000 nan 0.000 1.011 330 A HN 0.395 nan 8.150 nan 0.000 0.494 331 E N 1.944 122.099 120.200 -0.076 0.000 2.190 331 E HA 0.082 4.433 4.350 0.001 0.000 0.191 331 E C 0.542 177.102 176.600 -0.066 0.000 0.978 331 E CA 1.144 57.503 56.400 -0.068 0.000 0.839 331 E CB -0.314 29.354 29.700 -0.053 0.000 0.787 331 E HN 0.986 nan 8.360 nan 0.000 0.473 332 N N -3.926 114.736 118.700 -0.063 0.000 3.020 332 N HA 0.360 5.101 4.740 0.001 0.000 0.248 332 N C 1.119 176.595 175.510 -0.057 0.000 1.480 332 N CA 0.218 53.234 53.050 -0.057 0.000 0.874 332 N CB 0.825 39.288 38.487 -0.041 0.000 1.433 332 N HN 0.470 nan 8.380 nan 0.000 0.530 333 L N -0.103 121.089 121.223 -0.051 0.000 2.127 333 L HA -0.144 4.197 4.340 0.001 0.000 0.211 333 L C 1.899 178.748 176.870 -0.035 0.000 1.089 333 L CA 2.947 57.757 54.840 -0.050 0.000 0.757 333 L CB -1.835 40.200 42.059 -0.040 0.000 0.899 333 L HN 0.728 nan 8.230 nan 0.000 0.434 334 D N -1.075 119.309 120.400 -0.026 0.000 2.097 334 D HA -0.184 4.456 4.640 0.001 0.000 0.195 334 D C 2.068 178.358 176.300 -0.016 0.000 0.989 334 D CA 1.403 55.393 54.000 -0.015 0.000 0.827 334 D CB -0.135 40.657 40.800 -0.013 0.000 0.966 334 D HN 0.806 nan 8.370 nan 0.000 0.456 335 E N -0.059 120.125 120.200 -0.026 0.000 2.106 335 E HA -0.149 4.201 4.350 0.001 0.000 0.192 335 E C 1.971 178.554 176.600 -0.028 0.000 0.984 335 E CA 0.320 56.703 56.400 -0.028 0.000 0.806 335 E CB -0.032 29.645 29.700 -0.038 0.000 0.750 335 E HN 0.111 nan 8.360 nan 0.000 0.458 336 L N 1.904 123.103 121.223 -0.039 0.000 2.079 336 L HA -0.200 4.141 4.340 0.001 0.000 0.210 336 L C 2.133 179.008 176.870 0.009 0.000 1.081 336 L CA 2.885 57.702 54.840 -0.038 0.000 0.752 336 L CB -1.098 40.920 42.059 -0.069 0.000 0.896 336 L HN 0.311 nan 8.230 nan 0.000 0.433 337 D N -1.578 118.831 120.400 0.015 0.000 2.084 337 D HA -0.170 4.471 4.640 0.001 0.000 0.194 337 D C 2.173 178.495 176.300 0.037 0.000 0.990 337 D CA 2.115 56.143 54.000 0.048 0.000 0.826 337 D CB -1.017 39.804 40.800 0.036 0.000 0.971 337 D HN 0.682 nan 8.370 nan 0.000 0.453 338 S N -0.169 115.540 115.700 0.015 0.000 2.353 338 S HA -0.108 4.363 4.470 0.001 0.000 0.222 338 S C 2.247 176.854 174.600 0.012 0.000 1.035 338 S CA 2.109 60.315 58.200 0.009 0.000 1.025 338 S CB -0.512 nan 63.200 nan 0.000 0.902 338 S HN 0.498 nan 8.310 nan 0.000 0.440 339 M N 0.320 119.924 119.600 0.006 0.000 2.213 339 M HA -0.002 4.478 4.480 0.001 0.000 0.263 339 M C 2.106 178.426 176.300 0.032 0.000 1.062 339 M CA 0.917 56.221 55.300 0.006 0.000 1.105 339 M CB -0.385 32.206 32.600 -0.016 0.000 1.385 339 M HN 0.393 nan 8.290 nan 0.000 0.417 340 L N 0.446 121.705 121.223 0.060 0.000 2.141 340 L HA -0.124 4.217 4.340 0.001 0.000 0.209 340 L C 1.741 178.658 176.870 0.078 0.000 1.094 340 L CA 0.758 55.664 54.840 0.111 0.000 0.763 340 L CB -0.897 41.274 42.059 0.187 0.000 0.908 340 L HN 0.312 nan 8.230 nan 0.000 0.437 341 E N 1.474 121.702 120.200 0.047 0.000 1.858 341 E HA 0.357 4.708 4.350 0.001 0.000 0.278 341 E C 0.383 176.996 176.600 0.022 0.000 1.172 341 E CA 0.241 56.655 56.400 0.024 0.000 1.127 341 E CB -1.092 28.615 29.700 0.013 0.000 1.084 341 E HN 0.437 nan 8.360 nan 0.000 0.455 342 R N 0.439 120.957 120.500 0.030 0.000 2.343 342 R HA 0.754 5.095 4.340 0.001 0.000 0.320 342 R C 0.226 176.538 176.300 0.020 0.000 0.956 342 R CA 0.112 56.228 56.100 0.026 0.000 0.836 342 R CB 0.110 30.433 30.300 0.038 0.000 1.151 342 R HN 0.955 nan 8.270 nan 0.000 0.450 350 S N 0.517 116.217 115.700 0.000 0.000 2.693 350 S HA 0.777 5.247 4.470 0.001 0.000 0.276 350 S C 0.206 174.805 174.600 -0.002 0.000 1.192 350 S CA -0.456 57.742 58.200 -0.003 0.000 0.994 350 S CB 0.786 nan 63.200 nan 0.000 1.012 350 S HN 0.614 nan 8.310 nan 0.000 0.550 351 V N 2.884 122.794 119.914 -0.006 0.000 2.408 351 V HA 0.503 4.624 4.120 0.001 0.000 0.267 351 V C 0.790 176.902 176.094 0.030 0.000 1.047 351 V CA 0.032 62.342 62.300 0.017 0.000 0.937 351 V CB 0.225 32.042 31.823 -0.009 0.000 0.999 351 V HN 1.032 nan 8.190 nan 0.000 0.472 352 T N 0.832 115.356 114.554 -0.050 0.000 2.910 352 T HA 0.199 4.549 4.350 0.001 0.000 0.287 352 T C 1.338 175.757 174.700 -0.468 0.000 1.050 352 T CA -0.082 61.809 62.100 -0.348 0.000 1.011 352 T CB 1.330 70.083 68.868 -0.191 0.000 1.195 352 T HN 0.774 nan 8.240 nan 0.000 0.540 353 C N -1.817 116.874 119.300 -1.016 0.000 2.421 353 C HA 0.109 4.570 4.460 0.001 0.000 0.296 353 C C 1.365 176.094 174.990 -0.435 0.000 1.470 353 C CA -0.421 58.182 59.018 -0.690 0.000 1.779 353 C CB -2.251 25.008 27.740 -0.800 0.000 1.715 353 C HN 0.807 nan 8.230 nan 0.000 0.564 354 W N 0.802 122.032 121.300 -0.116 0.000 3.123 354 W HA 0.302 4.963 4.660 0.001 0.000 0.383 354 W C 2.033 178.550 176.519 -0.005 0.000 1.102 354 W CA -0.118 57.211 57.345 -0.028 0.000 1.865 354 W CB -0.094 29.337 29.460 -0.048 0.000 1.111 354 W HN 0.102 nan 8.180 nan 0.000 0.621 355 S N 0.560 116.353 115.700 0.154 0.000 2.527 355 S HA -0.026 4.444 4.470 0.001 0.000 0.222 355 S C 0.738 175.403 174.600 0.107 0.000 0.985 355 S CA 0.509 58.782 58.200 0.121 0.000 0.921 355 S CB -0.151 63.102 63.200 0.088 0.000 0.772 355 S HN 0.256 nan 8.310 nan 0.000 0.529 356 Q N 0.054 119.925 119.800 0.117 0.000 2.534 356 Q HA 0.421 4.762 4.340 0.001 0.000 0.290 356 Q C -3.581 172.490 176.000 0.119 0.000 0.991 356 Q CA -2.310 53.544 55.803 0.084 0.000 0.783 356 Q CB 0.717 29.510 28.738 0.092 0.000 1.470 356 Q HN -0.077 nan 8.270 nan 0.000 0.406 357 P HA 0.369 nan 4.420 nan 0.000 0.272 357 P C -0.639 176.792 177.300 0.217 0.000 1.230 357 P CA -0.235 62.973 63.100 0.181 0.000 0.788 357 P CB 0.894 32.697 31.700 0.172 0.000 0.949 358 L N 1.486 122.878 121.223 0.281 0.000 2.422 358 L HA 0.495 4.835 4.340 0.001 0.000 0.264 358 L C -0.572 176.515 176.870 0.363 0.000 0.984 358 L CA -0.947 54.045 54.840 0.254 0.000 0.819 358 L CB 2.108 44.321 42.059 0.255 0.000 1.330 358 L HN 0.280 nan 8.230 nan 0.000 0.410 359 F N 2.954 122.924 119.950 0.034 0.000 2.427 359 F HA 0.605 5.133 4.527 0.001 0.000 0.348 359 F C -1.244 174.519 175.800 -0.061 0.000 1.125 359 F CA -1.180 56.895 58.000 0.125 0.000 0.989 359 F CB 0.731 39.841 39.000 0.184 0.000 1.165 359 F HN 0.063 nan 8.300 nan 0.000 0.442 360 F N 5.149 124.987 119.950 -0.186 0.000 2.421 360 F HA 0.585 5.113 4.527 0.001 0.000 0.337 360 F C -0.320 175.212 175.800 -0.446 0.000 1.105 360 F CA -1.079 56.773 58.000 -0.247 0.000 1.049 360 F CB 1.730 40.723 39.000 -0.012 0.000 1.139 360 F HN 0.097 nan 8.300 nan 0.000 0.479 361 V N 3.094 122.884 119.914 -0.207 0.000 2.334 361 V HA 0.188 4.308 4.120 0.001 0.000 0.281 361 V C -0.012 175.972 176.094 -0.182 0.000 1.016 361 V CA -1.031 61.130 62.300 -0.231 0.000 0.832 361 V CB 1.170 32.862 31.823 -0.218 0.000 0.999 361 V HN 0.788 nan 8.190 nan 0.000 0.439 362 N N 5.001 123.548 118.700 -0.255 0.000 2.605 362 N HA 0.174 4.915 4.740 0.001 0.000 0.258 362 N C 0.973 176.276 175.510 -0.346 0.000 1.156 362 N CA -0.418 52.302 53.050 -0.550 0.000 1.008 362 N CB 0.537 38.812 38.487 -0.353 0.000 1.354 362 N HN 0.697 nan 8.380 nan 0.000 0.509 363 L N 1.950 122.984 121.223 -0.315 0.000 2.353 363 L HA -0.138 4.202 4.340 0.001 0.000 0.220 363 L C 2.510 179.325 176.870 -0.092 0.000 1.133 363 L CA 0.350 55.081 54.840 -0.183 0.000 0.798 363 L CB -0.401 41.619 42.059 -0.066 0.000 0.922 363 L HN 0.543 nan 8.230 nan 0.000 0.445 364 S N 0.536 116.203 115.700 -0.055 0.000 2.359 364 S HA -0.281 4.189 4.470 0.001 0.000 0.224 364 S C 2.116 176.705 174.600 -0.020 0.000 1.035 364 S CA 1.936 60.145 58.200 0.015 0.000 1.018 364 S CB -0.042 63.233 63.200 0.126 0.000 0.876 364 S HN 0.434 nan 8.310 nan 0.000 0.448 365 K N 0.196 120.582 120.400 -0.023 0.000 2.103 365 K HA -0.042 4.279 4.320 0.001 0.000 0.204 365 K C 2.116 178.699 176.600 -0.029 0.000 1.052 365 K CA 1.640 57.913 56.287 -0.023 0.000 0.945 365 K CB -0.257 32.235 32.500 -0.014 0.000 0.722 365 K HN 0.559 nan 8.250 nan 0.000 0.443 366 S N -1.007 114.656 115.700 -0.061 0.000 2.470 366 S HA -0.047 4.424 4.470 0.001 0.000 0.222 366 S C 1.714 176.297 174.600 -0.029 0.000 1.024 366 S CA 0.851 59.020 58.200 -0.052 0.000 0.931 366 S CB 0.318 63.443 63.200 -0.126 0.000 0.791 366 S HN 0.470 nan 8.310 nan 0.000 0.513 367 T N -3.957 110.572 114.554 -0.041 0.000 2.986 367 T HA 0.553 4.903 4.350 0.001 0.000 0.264 367 T C 1.518 176.217 174.700 -0.002 0.000 0.964 367 T CA 0.709 62.808 62.100 -0.002 0.000 0.895 367 T CB 0.288 69.164 68.868 0.014 0.000 1.163 367 T HN 1.104 nan 8.240 nan 0.000 0.517 368 G N 1.234 110.027 108.800 -0.011 0.000 2.176 368 G HA2 -0.229 3.731 3.960 0.001 0.000 0.253 368 G HA3 -0.229 3.731 3.960 0.001 0.000 0.253 368 G C 0.019 174.922 174.900 0.005 0.000 0.979 368 G CA -0.027 45.066 45.100 -0.012 0.000 0.641 368 G HN 0.812 nan 8.290 nan 0.000 0.530 369 V N 1.395 121.327 119.914 0.031 0.000 2.461 369 V HA 0.618 4.738 4.120 0.001 0.000 0.275 369 V C 1.217 177.406 176.094 0.158 0.000 1.047 369 V CA 0.084 62.436 62.300 0.087 0.000 0.955 369 V CB 1.355 33.233 31.823 0.092 0.000 0.988 369 V HN 1.111 nan 8.190 nan 0.000 0.471 370 A N 4.541 127.483 122.820 0.203 0.000 3.046 370 A HA 0.473 4.794 4.320 0.001 0.000 0.259 370 A C 0.640 178.584 177.584 0.599 0.000 1.843 370 A CA 0.135 52.380 52.037 0.345 0.000 1.451 370 A CB -0.703 18.431 19.000 0.223 0.000 1.025 370 A HN 0.755 nan 8.150 nan 0.000 0.625 371 S N -0.727 115.259 115.700 0.477 0.000 2.618 371 S HA 0.800 5.271 4.470 0.001 0.000 0.277 371 S C -1.116 173.631 174.600 0.246 0.000 1.138 371 S CA -0.472 58.036 58.200 0.513 0.000 0.844 371 S CB 1.181 64.673 63.200 0.486 0.000 1.127 371 S HN 0.331 nan 8.310 nan 0.000 0.474 372 F N 1.483 121.616 119.950 0.306 0.000 2.507 372 F HA 0.538 5.065 4.527 0.001 0.000 0.325 372 F C -0.043 175.831 175.800 0.123 0.000 1.116 372 F CA -0.602 57.526 58.000 0.212 0.000 0.930 372 F CB 1.733 40.911 39.000 0.297 0.000 1.146 372 F HN 0.360 nan 8.300 nan 0.000 0.447 373 M N 6.140 125.828 119.600 0.147 0.000 2.088 373 M HA 0.466 4.947 4.480 0.001 0.000 0.346 373 M C -1.314 174.917 176.300 -0.114 0.000 1.111 373 M CA -0.233 55.065 55.300 -0.003 0.000 1.017 373 M CB 0.879 33.467 32.600 -0.020 0.000 1.568 373 M HN 0.707 nan 8.290 nan 0.000 0.445 374 M N 5.169 124.644 119.600 -0.209 0.000 2.294 374 M HA 0.462 4.942 4.480 0.001 0.000 0.335 374 M C -2.013 174.121 176.300 -0.278 0.000 1.079 374 M CA -0.897 54.125 55.300 -0.464 0.000 0.982 374 M CB 1.409 33.582 32.600 -0.711 0.000 1.651 374 M HN 0.622 nan 8.290 nan 0.000 0.437 375 L N 6.030 127.146 121.223 -0.177 0.000 2.317 375 L HA 0.642 4.982 4.340 0.001 0.000 0.281 375 L C -0.210 176.697 176.870 0.061 0.000 1.024 375 L CA -0.106 54.761 54.840 0.044 0.000 0.810 375 L CB 1.811 44.035 42.059 0.274 0.000 1.240 375 L HN 0.780 nan 8.230 nan 0.000 0.427 376 M N 1.805 121.456 119.600 0.085 0.000 2.658 376 M HA 0.740 5.220 4.480 0.001 0.000 0.295 376 M C -1.135 175.237 176.300 0.120 0.000 1.248 376 M CA -0.817 54.552 55.300 0.116 0.000 0.843 376 M CB 2.395 35.070 32.600 0.126 0.000 1.749 376 M HN 0.538 nan 8.290 nan 0.000 0.464 377 Q N 1.719 121.594 119.800 0.125 0.000 2.445 377 Q HA 0.822 5.163 4.340 0.001 0.000 0.281 377 Q C -1.293 174.767 176.000 0.099 0.000 1.101 377 Q CA -0.792 55.077 55.803 0.110 0.000 0.833 377 Q CB 1.832 30.648 28.738 0.129 0.000 1.416 377 Q HN 0.931 nan 8.270 nan 0.000 0.451 378 A N 1.804 124.678 122.820 0.089 0.000 2.425 378 A HA 0.404 4.725 4.320 0.001 0.000 0.249 378 A C -1.680 175.956 177.584 0.085 0.000 1.084 378 A CA -1.040 51.048 52.037 0.086 0.000 0.781 378 A CB -0.030 19.024 19.000 0.091 0.000 1.019 378 A HN 0.729 nan 8.150 nan 0.000 0.490 379 P HA -0.029 nan 4.420 nan 0.000 0.245 379 P C 1.299 178.646 177.300 0.078 0.000 1.206 379 P CA 0.106 63.247 63.100 0.068 0.000 0.781 379 P CB 0.156 31.885 31.700 0.049 0.000 0.994 380 L N 1.089 122.362 121.223 0.083 0.000 2.043 380 L HA -0.131 4.210 4.340 0.001 0.000 0.212 380 L C 2.143 179.064 176.870 0.086 0.000 1.075 380 L CA 2.289 57.179 54.840 0.084 0.000 0.752 380 L CB -1.803 40.324 42.059 0.114 0.000 0.891 380 L HN -0.087 nan 8.230 nan 0.000 0.432 381 T N 0.242 114.849 114.554 0.088 0.000 2.699 381 T HA -0.196 4.154 4.350 0.001 0.000 0.268 381 T C 1.567 176.302 174.700 0.058 0.000 1.036 381 T CA 1.918 64.064 62.100 0.076 0.000 1.147 381 T CB -0.497 68.420 68.868 0.081 0.000 0.862 381 T HN 0.502 nan 8.240 nan 0.000 0.446 382 N N 0.454 119.196 118.700 0.069 0.000 2.188 382 N HA -0.101 4.639 4.740 0.001 0.000 0.184 382 N C 1.691 177.223 175.510 0.036 0.000 1.018 382 N CA 0.949 54.032 53.050 0.055 0.000 0.858 382 N CB -0.450 38.078 38.487 0.068 0.000 0.989 382 N HN 0.509 nan 8.380 nan 0.000 0.426 383 H N 0.710 119.757 119.070 -0.039 0.000 2.372 383 H HA 0.087 4.644 4.556 0.001 0.000 0.301 383 H C 1.552 176.808 175.328 -0.120 0.000 1.065 383 H CA 0.876 56.879 56.048 -0.075 0.000 1.364 383 H CB 0.126 29.835 29.762 -0.089 0.000 1.406 383 H HN 0.036 nan 8.280 nan 0.000 0.521 384 I N 1.624 122.145 120.570 -0.081 0.000 2.252 384 I HA -0.188 3.983 4.170 0.001 0.000 0.245 384 I C 2.234 178.266 176.117 -0.142 0.000 1.102 384 I CA 1.030 62.240 61.300 -0.150 0.000 1.385 384 I CB -0.975 37.004 38.000 -0.035 0.000 1.064 384 I HN 0.350 nan 8.210 nan 0.000 0.414 385 E N 0.753 120.898 120.200 -0.092 0.000 2.150 385 E HA -0.163 4.187 4.350 0.001 0.000 0.193 385 E C 2.222 178.750 176.600 -0.119 0.000 0.985 385 E CA 1.517 57.862 56.400 -0.092 0.000 0.814 385 E CB -0.084 29.584 29.700 -0.055 0.000 0.752 385 E HN 0.521 nan 8.360 nan 0.000 0.466 386 S N 1.622 117.233 115.700 -0.148 0.000 2.419 386 S HA -0.122 4.349 4.470 0.001 0.000 0.233 386 S C 1.881 176.375 174.600 -0.176 0.000 1.016 386 S CA 0.891 58.999 58.200 -0.153 0.000 0.974 386 S CB -0.558 62.544 63.200 -0.165 0.000 0.786 386 S HN 0.431 nan 8.310 nan 0.000 0.492 387 I N -0.366 120.064 120.570 -0.232 0.000 3.856 387 I HA 0.385 4.556 4.170 0.001 0.000 0.333 387 I C 1.686 177.728 176.117 -0.126 0.000 1.525 387 I CA -0.714 60.474 61.300 -0.186 0.000 1.173 387 I CB -0.043 37.811 38.000 -0.243 0.000 1.175 387 I HN 0.132 nan 8.210 nan 0.000 0.424 388 R N 0.401 120.831 120.500 -0.116 0.000 2.261 388 R HA -0.173 4.167 4.340 0.001 0.000 0.236 388 R C 1.263 177.517 176.300 -0.076 0.000 1.141 388 R CA 1.544 57.586 56.100 -0.097 0.000 1.001 388 R CB -0.377 29.858 30.300 -0.109 0.000 0.866 388 R HN 0.375 nan 8.270 nan 0.000 0.468 389 E N 1.136 121.295 120.200 -0.068 0.000 2.250 389 E HA -0.027 4.324 4.350 0.001 0.000 0.192 389 E C -0.093 176.489 176.600 -0.031 0.000 0.986 389 E CA 0.433 56.803 56.400 -0.050 0.000 0.849 389 E CB 0.048 29.719 29.700 -0.047 0.000 0.797 389 E HN 0.199 nan 8.360 nan 0.000 0.482 390 D N 0.721 121.105 120.400 -0.026 0.000 2.508 390 D HA -0.021 4.619 4.640 0.001 0.000 0.224 390 D C 0.501 176.819 176.300 0.029 0.000 1.171 390 D CA 0.016 54.016 54.000 0.000 0.000 1.006 390 D CB 0.267 41.067 40.800 -0.001 0.000 1.073 390 D HN -0.104 nan 8.370 nan 0.000 0.513 391 K N 2.101 122.517 120.400 0.028 0.000 2.063 391 K HA -0.153 4.167 4.320 0.001 0.000 0.208 391 K C 1.635 178.306 176.600 0.118 0.000 1.048 391 K CA 0.862 57.183 56.287 0.056 0.000 0.928 391 K CB 0.024 32.532 32.500 0.015 0.000 0.713 391 K HN 0.536 nan 8.250 nan 0.000 0.442 392 E N 0.463 120.720 120.200 0.095 0.000 2.058 392 E HA -0.203 4.147 4.350 0.001 0.000 0.194 392 E C 2.266 178.981 176.600 0.191 0.000 0.997 392 E CA 1.081 57.564 56.400 0.137 0.000 0.801 392 E CB -0.078 29.676 29.700 0.089 0.000 0.746 392 E HN 0.226 nan 8.360 nan 0.000 0.450 393 R N 0.649 121.230 120.500 0.135 0.000 2.115 393 R HA -0.099 4.242 4.340 0.001 0.000 0.230 393 R C 2.388 178.794 176.300 0.177 0.000 1.111 393 R CA 0.698 56.878 56.100 0.133 0.000 0.976 393 R CB -0.078 30.271 30.300 0.083 0.000 0.870 393 R HN 0.160 nan 8.270 nan 0.000 0.445 394 L N -0.230 121.110 121.223 0.196 0.000 2.046 394 L HA -0.175 4.165 4.340 0.001 0.000 0.208 394 L C 2.266 179.404 176.870 0.446 0.000 1.077 394 L CA 1.102 56.115 54.840 0.289 0.000 0.747 394 L CB -0.452 41.767 42.059 0.267 0.000 0.896 394 L HN 0.219 nan 8.230 nan 0.000 0.432 395 F N 0.475 120.574 119.950 0.247 0.000 2.146 395 F HA -0.201 4.326 4.527 0.001 0.000 0.298 395 F C 2.604 178.512 175.800 0.180 0.000 1.096 395 F CA 1.604 59.744 58.000 0.233 0.000 1.275 395 F CB -0.284 38.795 39.000 0.131 0.000 1.008 395 F HN -0.068 nan 8.300 nan 0.000 0.480 396 S N 0.355 116.093 115.700 0.064 0.000 2.368 396 S HA -0.217 4.254 4.470 0.001 0.000 0.225 396 S C 1.883 176.414 174.600 -0.115 0.000 1.030 396 S CA 1.482 59.638 58.200 -0.073 0.000 0.999 396 S CB -0.932 62.300 63.200 0.053 0.000 0.844 396 S HN 0.509 nan 8.310 nan 0.000 0.459 397 F N 1.178 121.027 119.950 -0.169 0.000 2.075 397 F HA -0.040 4.488 4.527 0.001 0.000 0.297 397 F C 1.374 176.918 175.800 -0.427 0.000 1.113 397 F CA 1.428 59.233 58.000 -0.326 0.000 1.218 397 F CB -0.196 38.522 39.000 -0.471 0.000 0.984 397 F HN 0.150 nan 8.300 nan 0.000 0.472 398 F N -0.292 119.739 119.950 0.134 0.000 2.732 398 F HA 0.088 4.616 4.527 0.001 0.000 0.303 398 F C 2.163 177.775 175.800 -0.314 0.000 1.110 398 F CA 0.007 57.991 58.000 -0.027 0.000 1.355 398 F CB -0.469 38.653 39.000 0.204 0.000 1.081 398 F HN 0.072 nan 8.300 nan 0.000 0.565 399 Q N 1.649 121.258 119.800 -0.318 0.000 2.016 399 Q HA -0.129 4.212 4.340 0.001 0.000 0.200 399 Q C -0.523 175.309 176.000 -0.281 0.000 0.978 399 Q CA 1.505 57.007 55.803 -0.500 0.000 0.833 399 Q CB -0.924 27.385 28.738 -0.716 0.000 0.895 399 Q HN 0.184 nan 8.270 nan 0.000 0.427 400 P HA -0.141 nan 4.420 nan 0.000 0.215 400 P C 1.514 178.786 177.300 -0.047 0.000 1.153 400 P CA 1.884 64.956 63.100 -0.047 0.000 0.853 400 P CB -0.309 31.446 31.700 0.092 0.000 0.788 401 V N -3.275 116.456 119.914 -0.305 0.000 2.591 401 V HA -0.104 4.016 4.120 0.001 0.000 0.249 401 V C 2.611 178.444 176.094 -0.435 0.000 1.053 401 V CA 1.044 63.063 62.300 -0.467 0.000 1.068 401 V CB -1.821 29.578 31.823 -0.706 0.000 0.689 401 V HN -0.070 nan 8.190 nan 0.000 0.462 402 L N 0.571 121.544 121.223 -0.417 0.000 2.046 402 L HA -0.100 4.240 4.340 0.001 0.000 0.208 402 L C 2.792 179.441 176.870 -0.368 0.000 1.077 402 L CA 1.830 56.362 54.840 -0.514 0.000 0.747 402 L CB -0.758 41.055 42.059 -0.409 0.000 0.896 402 L HN 0.381 nan 8.230 nan 0.000 0.432 403 N N 0.284 118.856 118.700 -0.214 0.000 2.039 403 N HA -0.209 4.531 4.740 0.001 0.000 0.193 403 N C 1.793 177.236 175.510 -0.111 0.000 1.044 403 N CA 1.136 54.113 53.050 -0.122 0.000 0.847 403 N CB -0.277 38.177 38.487 -0.054 0.000 1.030 403 N HN 0.054 nan 8.380 nan 0.000 0.422 404 K N 1.342 121.711 120.400 -0.051 0.000 2.173 404 K HA -0.010 4.311 4.320 0.001 0.000 0.207 404 K C 1.897 178.447 176.600 -0.084 0.000 1.046 404 K CA 0.850 57.145 56.287 0.013 0.000 0.929 404 K CB -0.400 32.239 32.500 0.232 0.000 0.720 404 K HN 0.238 nan 8.250 nan 0.000 0.453 405 I N -0.279 120.148 120.570 -0.239 0.000 2.202 405 I HA -0.265 3.906 4.170 0.001 0.000 0.242 405 I C 2.045 178.010 176.117 -0.253 0.000 1.091 405 I CA 0.918 62.021 61.300 -0.328 0.000 1.368 405 I CB -0.284 37.324 38.000 -0.654 0.000 1.058 405 I HN 0.157 nan 8.210 nan 0.000 0.410 406 M N 0.574 120.013 119.600 -0.269 0.000 2.149 406 M HA -0.230 4.250 4.480 0.001 0.000 0.261 406 M C 2.234 178.501 176.300 -0.055 0.000 1.064 406 M CA 1.655 56.861 55.300 -0.155 0.000 1.102 406 M CB -1.224 31.295 32.600 -0.135 0.000 1.369 406 M HN 0.218 nan 8.290 nan 0.000 0.408 407 K N 0.139 120.506 120.400 -0.054 0.000 1.978 407 K HA -0.167 4.154 4.320 0.001 0.000 0.214 407 K C 2.046 178.640 176.600 -0.010 0.000 1.049 407 K CA 2.043 58.319 56.287 -0.019 0.000 0.939 407 K CB -0.126 32.365 32.500 -0.015 0.000 0.721 407 K HN 0.346 nan 8.250 nan 0.000 0.441 408 C N 0.952 120.240 119.300 -0.020 0.000 2.409 408 C HA -0.055 4.405 4.460 0.001 0.000 0.284 408 C C 1.988 176.981 174.990 0.006 0.000 1.354 408 C CA 0.458 59.473 59.018 -0.006 0.000 1.787 408 C CB -0.818 26.916 27.740 -0.009 0.000 1.900 408 C HN 0.459 nan 8.230 nan 0.000 0.520 409 L N 0.328 121.553 121.223 0.003 0.000 2.741 409 L HA 0.169 4.509 4.340 0.001 0.000 0.237 409 L C -0.439 176.481 176.870 0.082 0.000 1.178 409 L CA 0.169 55.040 54.840 0.052 0.000 0.973 409 L CB -0.442 41.656 42.059 0.064 0.000 1.255 409 L HN 0.278 nan 8.230 nan 0.000 0.498 410 D N 1.099 121.529 120.400 0.049 0.000 3.187 410 D HA -0.155 4.486 4.640 0.001 0.000 0.244 410 D C -0.043 176.293 176.300 0.061 0.000 1.114 410 D CA 0.933 54.962 54.000 0.047 0.000 0.920 410 D CB -0.613 40.214 40.800 0.045 0.000 0.970 410 D HN 0.382 nan 8.370 nan 0.000 0.418 411 S N -0.337 115.392 115.700 0.049 0.000 2.636 411 S HA 0.454 4.925 4.470 0.001 0.000 0.268 411 S C -1.171 173.450 174.600 0.035 0.000 1.159 411 S CA -0.788 57.446 58.200 0.057 0.000 0.815 411 S CB 1.653 64.915 63.200 0.103 0.000 1.130 411 S HN 0.171 nan 8.310 nan 0.000 0.471 412 E N 0.745 120.970 120.200 0.042 0.000 2.239 412 E HA 0.398 4.749 4.350 0.001 0.000 0.261 412 E C -1.060 175.563 176.600 0.038 0.000 1.016 412 E CA -1.008 55.414 56.400 0.036 0.000 0.882 412 E CB 0.347 30.072 29.700 0.042 0.000 1.190 412 E HN 0.524 nan 8.360 nan 0.000 0.415 413 D N 0.651 121.074 120.400 0.039 0.000 2.443 413 D HA -0.004 4.636 4.640 0.001 0.000 0.234 413 D C -0.383 175.974 176.300 0.095 0.000 1.172 413 D CA 0.140 54.169 54.000 0.048 0.000 0.878 413 D CB 0.485 41.316 40.800 0.052 0.000 1.204 413 D HN 0.008 nan 8.370 nan 0.000 0.453 414 V N 2.405 122.399 119.914 0.133 0.000 2.715 414 V HA 0.143 4.264 4.120 0.001 0.000 0.299 414 V C 0.761 177.028 176.094 0.288 0.000 1.054 414 V CA -0.266 62.185 62.300 0.251 0.000 1.077 414 V CB 0.589 32.627 31.823 0.359 0.000 0.972 414 V HN 0.296 nan 8.190 nan 0.000 0.484 415 I N 2.956 123.661 120.570 0.225 0.000 2.354 415 I HA 0.263 4.434 4.170 0.001 0.000 0.292 415 I C 0.068 176.158 176.117 -0.045 0.000 0.989 415 I CA -0.473 60.896 61.300 0.115 0.000 1.188 415 I CB 1.509 39.557 38.000 0.081 0.000 1.342 415 I HN 0.535 nan 8.210 nan 0.000 0.457 416 D N 6.067 126.323 120.400 -0.240 0.000 2.498 416 D HA 0.098 4.739 4.640 0.001 0.000 0.229 416 D C 0.771 176.894 176.300 -0.294 0.000 1.188 416 D CA 0.047 53.703 54.000 -0.572 0.000 1.028 416 D CB 0.604 40.936 40.800 -0.779 0.000 1.087 416 D HN 0.740 nan 8.370 nan 0.000 0.510 417 G N 3.112 111.776 108.800 -0.225 0.000 3.949 417 G HA2 0.064 4.024 3.960 0.001 0.000 0.295 417 G HA3 0.064 4.024 3.960 0.001 0.000 0.295 417 G C 1.201 176.000 174.900 -0.168 0.000 1.286 417 G CA -0.339 44.675 45.100 -0.145 0.000 1.171 417 G HN 0.438 nan 8.290 nan 0.000 0.586 418 M N -0.265 119.213 119.600 -0.203 0.000 2.619 418 M HA 0.178 4.659 4.480 0.001 0.000 0.251 418 M C 1.268 177.512 176.300 -0.093 0.000 1.106 418 M CA 0.878 56.078 55.300 -0.167 0.000 1.086 418 M CB 0.110 32.603 32.600 -0.178 0.000 1.465 418 M HN 0.157 nan 8.290 nan 0.000 0.506 428 N N -0.673 118.040 118.700 0.022 0.000 2.082 428 N HA 0.515 5.255 4.740 0.001 0.000 0.228 428 N C 0.131 175.663 175.510 0.037 0.000 1.341 428 N CA 1.357 54.420 53.050 0.020 0.000 0.873 428 N CB 0.521 nan 38.487 nan 0.000 1.137 428 N HN 1.149 nan 8.380 nan 0.000 0.505 429 K N 1.949 122.381 120.400 0.053 0.000 2.397 429 K HA 0.738 5.059 4.320 0.001 0.000 0.253 429 K C -3.211 173.458 176.600 0.115 0.000 0.932 429 K CA -1.791 54.543 56.287 0.078 0.000 0.795 429 K CB 1.038 33.583 32.500 0.074 0.000 1.159 429 K HN 0.226 nan 8.250 nan 0.000 0.424 430 P HA 0.186 nan 4.420 nan 0.000 0.266 430 P C -0.625 176.883 177.300 0.346 0.000 1.215 430 P CA -0.122 63.131 63.100 0.255 0.000 0.763 430 P CB 0.747 32.569 31.700 0.204 0.000 0.806 431 V N 5.859 125.987 119.914 0.356 0.000 2.347 431 V HA 0.115 4.236 4.120 0.001 0.000 0.280 431 V C 0.560 176.786 176.094 0.220 0.000 1.021 431 V CA -0.806 61.636 62.300 0.237 0.000 0.847 431 V CB 1.211 33.100 31.823 0.110 0.000 0.990 431 V HN 0.431 nan 8.190 nan 0.000 0.444 432 L N 7.267 128.505 121.223 0.026 0.000 2.315 432 L HA 0.418 4.759 4.340 0.001 0.000 0.283 432 L C 1.227 177.899 176.870 -0.330 0.000 1.089 432 L CA 0.660 55.289 54.840 -0.352 0.000 0.833 432 L CB 0.527 42.360 42.059 -0.375 0.000 1.170 432 L HN 0.482 nan 8.230 nan 0.000 0.442 433 R N 3.059 123.305 120.500 -0.424 0.000 2.103 433 R HA 0.247 4.587 4.340 0.001 0.000 0.212 433 R C 0.263 176.345 176.300 -0.363 0.000 1.107 433 R CA 0.501 56.291 56.100 -0.516 0.000 1.025 433 R CB -0.260 29.306 30.300 -1.223 0.000 0.929 433 R HN 0.768 nan 8.270 nan 0.000 0.456 434 N N -0.251 118.259 118.700 -0.317 0.000 2.357 434 N HA 0.416 5.157 4.740 0.001 0.000 0.284 434 N C -1.450 173.947 175.510 -0.189 0.000 1.236 434 N CA -0.481 52.463 53.050 -0.176 0.000 0.774 434 N CB 2.097 40.546 38.487 -0.063 0.000 1.534 434 N HN -0.150 nan 8.380 nan 0.000 0.478 435 I N 3.164 123.631 120.570 -0.171 0.000 2.468 435 I HA 0.383 4.554 4.170 0.001 0.000 0.284 435 I C -0.642 175.325 176.117 -0.250 0.000 1.038 435 I CA -0.510 60.635 61.300 -0.257 0.000 1.083 435 I CB 1.708 39.603 38.000 -0.174 0.000 1.223 435 I HN 0.388 nan 8.210 nan 0.000 0.443 436 I N 6.472 126.846 120.570 -0.327 0.000 2.498 436 I HA 0.566 4.736 4.170 0.001 0.000 0.301 436 I C -0.528 175.411 176.117 -0.295 0.000 0.984 436 I CA -0.947 60.195 61.300 -0.264 0.000 1.204 436 I CB 2.087 39.933 38.000 -0.257 0.000 1.362 436 I HN 0.164 nan 8.210 nan 0.000 0.471 437 V N 3.547 123.326 119.914 -0.224 0.000 2.760 437 V HA 0.276 4.397 4.120 0.001 0.000 0.309 437 V C 0.050 176.020 176.094 -0.206 0.000 1.077 437 V CA -0.795 61.379 62.300 -0.211 0.000 0.910 437 V CB 2.079 33.801 31.823 -0.169 0.000 1.008 437 V HN 0.931 nan 8.190 nan 0.000 0.424 438 S N 2.222 117.806 115.700 -0.194 0.000 2.580 438 S HA 0.157 4.627 4.470 0.001 0.000 0.266 438 S C 0.405 174.806 174.600 -0.333 0.000 1.354 438 S CA -0.024 57.998 58.200 -0.298 0.000 1.008 438 S CB 0.513 63.641 63.200 -0.121 0.000 0.898 438 S HN 0.922 nan 8.310 nan 0.000 0.555 439 N N -0.488 117.875 118.700 -0.561 0.000 2.387 439 N HA 0.130 4.871 4.740 0.001 0.000 0.259 439 N C -0.090 175.265 175.510 -0.259 0.000 1.369 439 N CA -0.306 52.535 53.050 -0.348 0.000 0.867 439 N CB 0.200 38.499 38.487 -0.315 0.000 1.341 439 N HN 0.811 nan 8.380 nan 0.000 0.495 440 W N 0.737 122.043 121.300 0.011 0.000 2.374 440 W HA -0.127 4.534 4.660 0.001 0.000 0.288 440 W C 2.602 179.146 176.519 0.042 0.000 1.218 440 W CA 1.481 58.847 57.345 0.037 0.000 1.245 440 W CB -0.311 29.179 29.460 0.050 0.000 1.126 440 W HN 0.171 nan 8.180 nan 0.000 0.545 441 T N -1.672 113.016 114.554 0.224 0.000 2.951 441 T HA -0.055 4.295 4.350 0.001 0.000 0.268 441 T C 1.703 176.449 174.700 0.075 0.000 1.073 441 T CA 0.886 63.075 62.100 0.149 0.000 1.134 441 T CB -0.204 68.729 68.868 0.108 0.000 0.884 441 T HN 0.060 nan 8.240 nan 0.000 0.479 442 R N 0.958 121.476 120.500 0.030 0.000 2.280 442 R HA 0.201 4.541 4.340 0.001 0.000 0.195 442 R C 0.103 176.383 176.300 -0.035 0.000 0.935 442 R CA 0.042 56.132 56.100 -0.016 0.000 1.033 442 R CB 0.025 30.298 30.300 -0.044 0.000 0.964 442 R HN 0.299 nan 8.270 nan 0.000 0.489 443 D N 0.717 121.113 120.400 -0.006 0.000 2.339 443 D HA 0.023 4.664 4.640 0.001 0.000 0.256 443 D C -1.558 174.706 176.300 -0.061 0.000 1.214 443 D CA -2.312 51.676 54.000 -0.020 0.000 0.877 443 D CB 1.534 42.370 40.800 0.062 0.000 1.111 443 D HN 0.007 nan 8.370 nan 0.000 0.478 444 P HA -0.158 nan 4.420 nan 0.000 0.223 444 P C 0.496 177.567 177.300 -0.381 0.000 1.144 444 P CA 1.075 63.946 63.100 -0.382 0.000 0.783 444 P CB -0.050 31.299 31.700 -0.586 0.000 0.771 445 Y N -1.372 118.971 120.300 0.070 0.000 2.571 445 Y HA 0.264 4.815 4.550 0.001 0.000 0.275 445 Y C 2.387 178.359 175.900 0.120 0.000 1.179 445 Y CA -0.277 57.871 58.100 0.080 0.000 1.242 445 Y CB 0.494 39.006 38.460 0.087 0.000 1.126 445 Y HN 0.009 nan 8.280 nan 0.000 0.524 446 S N -0.213 115.612 115.700 0.208 0.000 3.608 446 S HA 0.160 4.631 4.470 0.001 0.000 0.234 446 S C 0.499 175.198 174.600 0.165 0.000 1.077 446 S CA -0.169 58.187 58.200 0.260 0.000 0.827 446 S CB 0.225 63.699 63.200 0.457 0.000 0.964 446 S HN 0.336 nan 8.310 nan 0.000 0.547 447 R N 1.477 122.055 120.500 0.129 0.000 3.251 447 R HA -0.101 4.239 4.340 0.001 0.000 0.249 447 R C 0.291 176.701 176.300 0.184 0.000 0.949 447 R CA 0.471 56.612 56.100 0.068 0.000 0.645 447 R CB -2.155 28.105 30.300 -0.067 0.000 1.065 447 R HN 0.771 nan 8.270 nan 0.000 0.452 448 G N -2.472 106.532 108.800 0.340 0.000 2.343 448 G HA2 0.259 4.220 3.960 0.001 0.000 0.465 448 G HA3 0.259 4.220 3.960 0.001 0.000 0.465 448 G C 0.071 175.166 174.900 0.325 0.000 1.282 448 G CA -0.256 45.118 45.100 0.457 0.000 0.996 448 G HN 0.349 nan 8.290 nan 0.000 0.521 449 A N -1.131 121.619 122.820 -0.117 0.000 1.909 449 A HA 0.769 5.090 4.320 0.001 0.000 0.210 449 A C 0.569 177.846 177.584 -0.511 0.000 1.273 449 A CA 2.368 54.170 52.037 -0.390 0.000 0.654 449 A CB -0.074 18.574 19.000 -0.587 0.000 0.945 449 A HN 2.305 nan 8.150 nan 0.000 0.471 450 Y N -2.847 116.808 120.300 -1.076 0.000 2.774 450 Y HA 0.483 5.033 4.550 0.001 0.000 0.346 450 Y C -0.165 174.988 175.900 -1.245 0.000 1.222 450 Y CA -1.389 56.060 58.100 -1.086 0.000 1.088 450 Y CB -0.067 38.134 38.460 -0.432 0.000 1.354 450 Y HN 0.185 nan 8.280 nan 0.000 0.455 451 S N 0.968 116.481 115.700 -0.312 0.000 2.558 451 S HA 0.628 5.099 4.470 0.001 0.000 0.293 451 S C -0.048 174.544 174.600 -0.013 0.000 1.292 451 S CA 0.302 58.475 58.200 -0.046 0.000 1.063 451 S CB 0.378 63.655 63.200 0.128 0.000 0.831 451 S HN 1.662 nan 8.310 nan 0.000 0.499 452 A N 1.843 124.645 122.820 -0.029 0.000 2.572 452 A HA 0.644 4.965 4.320 0.001 0.000 0.295 452 A C -0.728 176.861 177.584 0.009 0.000 1.072 452 A CA -0.893 51.162 52.037 0.030 0.000 0.691 452 A CB 1.119 20.137 19.000 0.030 0.000 1.291 452 A HN 0.964 nan 8.150 nan 0.000 0.404 453 C N 1.334 120.674 119.300 0.067 0.000 2.295 453 C HA 0.600 5.060 4.460 0.001 0.000 0.331 453 C C 0.163 175.292 174.990 0.233 0.000 1.280 453 C CA -0.386 58.681 59.018 0.081 0.000 1.746 453 C CB -1.291 26.473 27.740 0.040 0.000 2.328 453 C HN 0.641 nan 8.230 nan 0.000 0.521 454 F N 3.993 123.980 119.950 0.063 0.000 2.370 454 F HA 0.339 4.866 4.527 0.001 0.000 0.319 454 F C -1.494 174.302 175.800 -0.006 0.000 1.129 454 F CA -2.426 55.559 58.000 -0.024 0.000 1.109 454 F CB 1.017 39.913 39.000 -0.172 0.000 1.262 454 F HN 0.308 nan 8.300 nan 0.000 0.534 455 P HA 0.060 nan 4.420 nan 0.000 0.267 455 P C 0.378 177.738 177.300 0.100 0.000 1.209 455 P CA 0.842 63.997 63.100 0.091 0.000 0.763 455 P CB 0.781 32.517 31.700 0.061 0.000 0.816 456 G N 2.394 111.235 108.800 0.069 0.000 2.218 456 G HA2 -0.163 3.798 3.960 0.001 0.000 0.216 456 G HA3 -0.163 3.798 3.960 0.001 0.000 0.216 456 G C -0.134 174.810 174.900 0.074 0.000 0.994 456 G CA -0.357 44.785 45.100 0.070 0.000 0.637 456 G HN 0.493 nan 8.290 nan 0.000 0.505 457 D N 1.683 122.138 120.400 0.092 0.000 2.382 457 D HA 0.487 5.128 4.640 0.001 0.000 0.245 457 D C 0.357 176.668 176.300 0.018 0.000 1.120 457 D CA 1.217 55.261 54.000 0.074 0.000 0.890 457 D CB 1.005 41.864 40.800 0.099 0.000 1.201 457 D HN 0.653 nan 8.370 nan 0.000 0.433 458 D N 2.120 122.518 120.400 -0.004 0.000 2.408 458 D HA 0.228 4.868 4.640 0.001 0.000 0.261 458 D C -1.692 174.583 176.300 -0.041 0.000 1.190 458 D CA -1.208 52.779 54.000 -0.021 0.000 0.910 458 D CB 1.240 nan 40.800 nan 0.000 1.097 458 D HN 0.102 nan 8.370 nan 0.000 0.522 459 P HA -0.189 nan 4.420 nan 0.000 0.218 459 P C 1.813 179.076 177.300 -0.063 0.000 1.146 459 P CA 0.700 63.768 63.100 -0.053 0.000 0.813 459 P CB 0.320 31.996 31.700 -0.039 0.000 0.778 460 V N 1.042 120.926 119.914 -0.050 0.000 2.392 460 V HA -0.233 3.887 4.120 0.001 0.000 0.249 460 V C 2.193 178.246 176.094 -0.068 0.000 1.059 460 V CA 2.339 64.609 62.300 -0.050 0.000 1.051 460 V CB -1.434 30.370 31.823 -0.032 0.000 0.658 460 V HN 0.071 nan 8.190 nan 0.000 0.455 461 D N -0.620 119.734 120.400 -0.077 0.000 2.104 461 D HA -0.215 4.426 4.640 0.001 0.000 0.194 461 D C 1.978 178.193 176.300 -0.142 0.000 0.994 461 D CA 1.533 55.475 54.000 -0.097 0.000 0.830 461 D CB -0.289 40.452 40.800 -0.098 0.000 0.959 461 D HN 0.357 nan 8.370 nan 0.000 0.452 462 M N 0.116 119.613 119.600 -0.172 0.000 2.099 462 M HA -0.089 4.392 4.480 0.001 0.000 0.262 462 M C 1.935 178.123 176.300 -0.186 0.000 1.067 462 M CA 1.109 56.270 55.300 -0.233 0.000 1.124 462 M CB -0.401 32.057 32.600 -0.238 0.000 1.353 462 M HN -0.121 nan 8.290 nan 0.000 0.410 463 V N -0.800 119.036 119.914 -0.131 0.000 2.392 463 V HA -0.263 3.858 4.120 0.001 0.000 0.249 463 V C 2.366 178.402 176.094 -0.097 0.000 1.059 463 V CA 1.726 63.960 62.300 -0.110 0.000 1.051 463 V CB -0.944 30.834 31.823 -0.076 0.000 0.658 463 V HN 0.385 nan 8.190 nan 0.000 0.455 464 V N 0.047 119.909 119.914 -0.087 0.000 2.307 464 V HA -0.196 3.924 4.120 0.001 0.000 0.245 464 V C 2.660 178.709 176.094 -0.075 0.000 1.045 464 V CA 1.973 64.233 62.300 -0.067 0.000 1.024 464 V CB -0.954 30.835 31.823 -0.056 0.000 0.651 464 V HN 0.557 nan 8.190 nan 0.000 0.449 465 A N -0.809 121.944 122.820 -0.113 0.000 1.969 465 A HA -0.162 4.158 4.320 0.001 0.000 0.218 465 A C 2.224 179.730 177.584 -0.131 0.000 1.169 465 A CA 1.670 53.632 52.037 -0.125 0.000 0.635 465 A CB -0.374 18.515 19.000 -0.184 0.000 0.810 465 A HN 0.403 nan 8.150 nan 0.000 0.445 466 M N 0.532 120.025 119.600 -0.179 0.000 2.098 466 M HA -0.099 4.382 4.480 0.001 0.000 0.262 466 M C 2.394 178.718 176.300 0.040 0.000 1.072 466 M CA 2.010 57.212 55.300 -0.163 0.000 1.133 466 M CB -1.450 31.002 32.600 -0.246 0.000 1.344 466 M HN 0.597 nan 8.290 nan 0.000 0.414 467 S N -0.133 115.561 115.700 -0.010 0.000 2.515 467 S HA -0.031 4.440 4.470 0.001 0.000 0.231 467 S C 1.271 175.890 174.600 0.031 0.000 0.987 467 S CA 0.758 58.967 58.200 0.015 0.000 0.936 467 S CB -0.475 62.715 63.200 -0.016 0.000 0.766 467 S HN 0.388 nan 8.310 nan 0.000 0.528 468 N N 1.657 120.378 118.700 0.035 0.000 2.280 468 N HA 0.278 5.019 4.740 0.001 0.000 0.192 468 N C 0.943 176.497 175.510 0.074 0.000 1.109 468 N CA 0.752 53.824 53.050 0.037 0.000 0.855 468 N CB 0.268 38.764 38.487 0.015 0.000 0.974 468 N HN 0.628 nan 8.380 nan 0.000 0.482 469 G N 1.268 110.155 108.800 0.145 0.000 2.916 469 G HA2 -0.321 3.639 3.960 0.001 0.000 0.533 469 G HA3 -0.321 3.639 3.960 0.001 0.000 0.533 469 G C 0.508 175.528 174.900 0.200 0.000 1.516 469 G CA 0.293 45.515 45.100 0.204 0.000 0.944 469 G HN 0.303 nan 8.290 nan 0.000 0.555 470 Q N 0.229 120.164 119.800 0.225 0.000 2.172 470 Q HA 0.191 4.532 4.340 0.001 0.000 0.200 470 Q C 1.024 177.074 176.000 0.082 0.000 0.964 470 Q CA 2.746 58.648 55.803 0.165 0.000 0.855 470 Q CB 0.084 28.905 28.738 0.137 0.000 0.918 470 Q HN 1.156 nan 8.270 nan 0.000 0.444 471 D N -4.002 116.436 120.400 0.064 0.000 2.809 471 D HA 0.004 4.644 4.640 0.001 0.000 0.336 471 D C 0.266 176.596 176.300 0.050 0.000 1.367 471 D CA 0.220 54.247 54.000 0.045 0.000 0.815 471 D CB -0.382 40.437 40.800 0.032 0.000 1.381 471 D HN -0.044 nan 8.370 nan 0.000 0.471 472 S N -0.744 114.985 115.700 0.050 0.000 2.402 472 S HA -0.243 4.228 4.470 0.001 0.000 0.233 472 S C 1.340 176.036 174.600 0.159 0.000 1.030 472 S CA 0.928 59.183 58.200 0.091 0.000 1.003 472 S CB -0.373 62.872 63.200 0.074 0.000 0.813 472 S HN 0.482 nan 8.310 nan 0.000 0.477 473 R N 0.576 121.104 120.500 0.047 0.000 2.206 473 R HA 0.441 4.782 4.340 0.001 0.000 0.198 473 R C 0.438 176.770 176.300 0.053 0.000 0.986 473 R CA 0.217 56.311 56.100 -0.010 0.000 1.029 473 R CB -0.301 29.866 30.300 -0.221 0.000 0.966 473 R HN 0.473 nan 8.270 nan 0.000 0.487 474 I N 3.556 124.128 120.570 0.002 0.000 2.307 474 I HA 0.221 4.391 4.170 0.001 0.000 0.287 474 I C 0.002 176.003 176.117 -0.194 0.000 1.054 474 I CA -0.480 60.773 61.300 -0.079 0.000 1.218 474 I CB 0.630 38.612 38.000 -0.031 0.000 1.398 474 I HN -0.257 nan 8.210 nan 0.000 0.475 475 R N 5.382 125.732 120.500 -0.251 0.000 2.856 475 R HA 0.692 5.033 4.340 0.001 0.000 0.258 475 R C -1.114 174.876 176.300 -0.517 0.000 1.066 475 R CA -0.930 55.014 56.100 -0.260 0.000 1.045 475 R CB 1.378 31.625 30.300 -0.088 0.000 1.178 475 R HN 0.245 nan 8.270 nan 0.000 0.499 476 F N -0.667 119.287 119.950 0.008 0.000 2.551 476 F HA 0.711 5.239 4.527 0.001 0.000 0.316 476 F C 0.076 175.844 175.800 -0.052 0.000 1.089 476 F CA -0.776 57.224 58.000 -0.000 0.000 0.915 476 F CB 2.324 41.316 39.000 -0.013 0.000 1.186 476 F HN 0.615 nan 8.300 nan 0.000 0.456 477 A N 1.308 124.211 122.820 0.139 0.000 2.532 477 A HA 1.003 5.323 4.320 0.001 0.000 0.290 477 A C -0.368 177.228 177.584 0.019 0.000 1.143 477 A CA -0.385 51.671 52.037 0.031 0.000 0.728 477 A CB 1.741 20.750 19.000 0.015 0.000 1.317 477 A HN 1.653 nan 8.150 nan 0.000 0.414 478 G N -0.364 108.426 108.800 -0.016 0.000 2.334 478 G HA2 0.420 4.381 3.960 0.001 0.000 0.566 478 G HA3 0.420 4.381 3.960 0.001 0.000 0.566 478 G C -0.010 174.880 174.900 -0.016 0.000 1.413 478 G CA 0.579 45.709 45.100 0.050 0.000 0.993 478 G HN 1.722 nan 8.290 nan 0.000 0.642 479 E N -0.349 119.917 120.200 0.111 0.000 2.209 479 E HA -0.228 4.123 4.350 0.001 0.000 0.196 479 E C 1.637 178.267 176.600 0.050 0.000 0.993 479 E CA 2.412 58.841 56.400 0.049 0.000 0.819 479 E CB -0.337 29.382 29.700 0.032 0.000 0.745 479 E HN 0.893 nan 8.360 nan 0.000 0.477 480 H N -0.084 119.000 119.070 0.024 0.000 2.539 480 H HA 0.199 4.755 4.556 0.001 0.000 0.269 480 H C 0.674 175.981 175.328 -0.036 0.000 0.980 480 H CA 1.114 57.166 56.048 0.006 0.000 1.152 480 H CB -0.287 29.505 29.762 0.051 0.000 1.407 480 H HN 0.319 nan 8.280 nan 0.000 0.564 481 T N -1.774 112.520 114.554 -0.433 0.000 3.174 481 T HA 0.393 4.744 4.350 0.001 0.000 0.269 481 T C 0.342 174.949 174.700 -0.155 0.000 1.017 481 T CA -0.399 61.499 62.100 -0.336 0.000 0.899 481 T CB -0.244 68.412 68.868 -0.353 0.000 1.077 481 T HN 0.325 nan 8.240 nan 0.000 0.552 482 I N -0.262 120.242 120.570 -0.111 0.000 2.918 482 I HA 0.466 4.637 4.170 0.001 0.000 0.301 482 I C 0.294 176.381 176.117 -0.050 0.000 1.312 482 I CA -1.142 60.121 61.300 -0.063 0.000 1.007 482 I CB 2.158 40.135 38.000 -0.040 0.000 1.281 482 I HN -0.042 nan 8.210 nan 0.000 0.440 483 M N 2.970 122.555 119.600 -0.026 0.000 2.085 483 M HA 0.104 4.584 4.480 0.001 0.000 0.258 483 M C -0.058 176.240 176.300 -0.004 0.000 1.089 483 M CA 1.572 56.864 55.300 -0.014 0.000 1.123 483 M CB -0.337 32.265 32.600 0.004 0.000 1.284 483 M HN 0.503 nan 8.290 nan 0.000 0.421 484 D N 0.350 120.770 120.400 0.035 0.000 2.382 484 D HA 0.413 5.053 4.640 0.001 0.000 0.259 484 D C 0.784 177.096 176.300 0.021 0.000 1.224 484 D CA 1.494 55.543 54.000 0.081 0.000 0.894 484 D CB 0.020 40.910 40.800 0.150 0.000 1.127 484 D HN 0.692 nan 8.370 nan 0.000 0.487 485 G N 1.961 110.714 108.800 -0.078 0.000 2.141 485 G HA2 -0.169 3.792 3.960 0.001 0.000 0.242 485 G HA3 -0.169 3.792 3.960 0.001 0.000 0.242 485 G C 0.535 175.204 174.900 -0.386 0.000 0.982 485 G CA -0.151 44.631 45.100 -0.530 0.000 0.662 485 G HN 0.842 nan 8.290 nan 0.000 0.527 486 A N -0.404 122.297 122.820 -0.198 0.000 2.565 486 A HA 0.588 4.908 4.320 0.001 0.000 0.237 486 A C 2.205 179.664 177.584 -0.208 0.000 1.053 486 A CA 2.189 54.133 52.037 -0.156 0.000 0.755 486 A CB -0.128 18.813 19.000 -0.100 0.000 0.980 486 A HN 2.422 nan 8.150 nan 0.000 0.506 487 G N 0.506 109.196 108.800 -0.183 0.000 2.284 487 G HA2 -0.299 3.661 3.960 0.001 0.000 0.261 487 G HA3 -0.299 3.661 3.960 0.001 0.000 0.261 487 G C 0.493 175.159 174.900 -0.391 0.000 0.997 487 G CA 0.524 45.450 45.100 -0.290 0.000 0.621 487 G HN 1.198 nan 8.290 nan 0.000 0.534 488 C N 0.390 119.500 119.300 -0.315 0.000 2.351 488 C HA 0.776 5.237 4.460 0.001 0.000 0.359 488 C C 2.331 177.210 174.990 -0.184 0.000 1.193 488 C CA 0.243 59.112 59.018 -0.248 0.000 2.270 488 C CB 1.100 28.674 27.740 -0.275 0.000 2.369 488 C HN 0.873 nan 8.230 nan 0.000 0.553 489 A N 0.978 123.745 122.820 -0.088 0.000 1.908 489 A HA -0.180 4.140 4.320 0.001 0.000 0.218 489 A C 1.811 179.471 177.584 0.126 0.000 1.181 489 A CA 2.165 54.179 52.037 -0.037 0.000 0.627 489 A CB -0.855 18.063 19.000 -0.137 0.000 0.818 489 A HN 1.075 nan 8.150 nan 0.000 0.445 490 Y N -0.613 119.758 120.300 0.119 0.000 2.352 490 Y HA 0.187 4.737 4.550 0.001 0.000 0.292 490 Y C 2.064 178.118 175.900 0.256 0.000 1.136 490 Y CA 0.608 58.804 58.100 0.161 0.000 1.227 490 Y CB -1.082 37.438 38.460 0.101 0.000 0.991 490 Y HN 0.068 nan 8.280 nan 0.000 0.545 491 G N 0.611 109.239 108.800 -0.287 0.000 2.403 491 G HA2 -0.119 3.841 3.960 0.001 0.000 0.216 491 G HA3 -0.119 3.841 3.960 0.001 0.000 0.216 491 G C 1.816 176.744 174.900 0.046 0.000 1.154 491 G CA 0.843 45.846 45.100 -0.162 0.000 0.784 491 G HN 0.635 nan 8.290 nan 0.000 0.538 492 A N 0.181 123.034 122.820 0.055 0.000 1.902 492 A HA -0.064 4.257 4.320 0.001 0.000 0.217 492 A C 2.109 179.805 177.584 0.187 0.000 1.181 492 A CA 1.595 53.689 52.037 0.095 0.000 0.623 492 A CB -0.762 18.288 19.000 0.084 0.000 0.818 492 A HN 0.563 nan 8.150 nan 0.000 0.443 493 W N 0.847 122.186 121.300 0.065 0.000 2.332 493 W HA -0.236 4.424 4.660 0.001 0.000 0.321 493 W C 2.067 178.641 176.519 0.092 0.000 1.219 493 W CA 2.318 59.724 57.345 0.103 0.000 1.277 493 W CB -0.234 29.325 29.460 0.166 0.000 1.161 493 W HN 0.384 nan 8.180 nan 0.000 0.476 494 E N 0.464 120.914 120.200 0.417 0.000 2.118 494 E HA -0.251 4.100 4.350 0.001 0.000 0.195 494 E C 2.361 178.952 176.600 -0.015 0.000 0.992 494 E CA 2.407 58.900 56.400 0.154 0.000 0.804 494 E CB -0.670 29.225 29.700 0.326 0.000 0.741 494 E HN 0.303 nan 8.360 nan 0.000 0.458 495 S N -1.026 114.687 115.700 0.022 0.000 2.399 495 S HA -0.081 4.390 4.470 0.001 0.000 0.231 495 S C 2.229 176.792 174.600 -0.063 0.000 1.022 495 S CA 1.143 59.329 58.200 -0.023 0.000 0.983 495 S CB -0.885 62.303 63.200 -0.021 0.000 0.803 495 S HN 0.350 nan 8.310 nan 0.000 0.480 496 G N 1.744 110.494 108.800 -0.083 0.000 2.404 496 G HA2 -0.180 3.781 3.960 0.001 0.000 0.215 496 G HA3 -0.180 3.781 3.960 0.001 0.000 0.215 496 G C 1.584 176.373 174.900 -0.184 0.000 1.174 496 G CA 0.657 45.687 45.100 -0.118 0.000 0.780 496 G HN 0.572 nan 8.290 nan 0.000 0.537 497 R N 0.314 120.638 120.500 -0.293 0.000 2.120 497 R HA 0.003 4.343 4.340 0.001 0.000 0.234 497 R C 2.551 178.742 176.300 -0.182 0.000 1.123 497 R CA 1.317 57.233 56.100 -0.307 0.000 0.975 497 R CB -0.271 29.736 30.300 -0.489 0.000 0.866 497 R HN 0.354 nan 8.270 nan 0.000 0.446 498 R N 0.311 120.730 120.500 -0.135 0.000 2.070 498 R HA -0.132 4.208 4.340 0.001 0.000 0.233 498 R C 1.540 177.786 176.300 -0.090 0.000 1.137 498 R CA 1.712 57.760 56.100 -0.087 0.000 0.945 498 R CB -0.053 30.215 30.300 -0.053 0.000 0.845 498 R HN 0.200 nan 8.270 nan 0.000 0.430 499 E N 0.263 120.407 120.200 -0.092 0.000 2.152 499 E HA -0.098 4.252 4.350 0.001 0.000 0.192 499 E C 1.788 178.308 176.600 -0.134 0.000 0.983 499 E CA 1.146 57.486 56.400 -0.100 0.000 0.818 499 E CB -0.141 29.509 29.700 -0.083 0.000 0.758 499 E HN 0.475 nan 8.360 nan 0.000 0.467 500 A N 0.657 123.397 122.820 -0.134 0.000 1.968 500 A HA -0.096 4.224 4.320 0.001 0.000 0.217 500 A C 2.389 179.893 177.584 -0.134 0.000 1.169 500 A CA 1.685 53.639 52.037 -0.139 0.000 0.638 500 A CB -0.621 18.304 19.000 -0.124 0.000 0.812 500 A HN 0.197 nan 8.150 nan 0.000 0.446 501 T N -0.595 113.887 114.554 -0.120 0.000 2.737 501 T HA -0.128 4.223 4.350 0.001 0.000 0.265 501 T C 2.081 176.715 174.700 -0.110 0.000 1.038 501 T CA 1.443 63.483 62.100 -0.101 0.000 1.144 501 T CB -0.239 68.578 68.868 -0.084 0.000 0.866 501 T HN 0.611 nan 8.240 nan 0.000 0.434 502 R N 0.804 121.233 120.500 -0.118 0.000 2.091 502 R HA -0.058 4.283 4.340 0.001 0.000 0.238 502 R C 2.277 178.460 176.300 -0.195 0.000 1.136 502 R CA 1.517 57.542 56.100 -0.126 0.000 0.959 502 R CB -0.450 29.784 30.300 -0.111 0.000 0.856 502 R HN 0.403 nan 8.270 nan 0.000 0.437 503 I N 0.265 120.668 120.570 -0.279 0.000 2.353 503 I HA -0.169 4.002 4.170 0.001 0.000 0.248 503 I C 2.251 178.193 176.117 -0.290 0.000 1.119 503 I CA 0.877 61.901 61.300 -0.460 0.000 1.417 503 I CB -0.199 37.458 38.000 -0.572 0.000 1.078 503 I HN 0.162 nan 8.210 nan 0.000 0.421 504 S N 0.662 116.254 115.700 -0.180 0.000 2.368 504 S HA -0.190 4.281 4.470 0.001 0.000 0.225 504 S C 1.582 176.132 174.600 -0.084 0.000 1.030 504 S CA 1.512 59.649 58.200 -0.106 0.000 0.999 504 S CB -0.295 62.861 63.200 -0.074 0.000 0.844 504 S HN 0.427 nan 8.310 nan 0.000 0.459 505 D N 1.587 121.935 120.400 -0.086 0.000 2.084 505 D HA -0.055 4.586 4.640 0.001 0.000 0.194 505 D C 2.022 178.291 176.300 -0.050 0.000 0.990 505 D CA 0.814 54.779 54.000 -0.058 0.000 0.826 505 D CB -0.603 40.165 40.800 -0.054 0.000 0.971 505 D HN 0.273 nan 8.370 nan 0.000 0.453 506 L N 0.400 121.578 121.223 -0.075 0.000 1.997 506 L HA -0.219 4.122 4.340 0.001 0.000 0.216 506 L C 2.696 179.568 176.870 0.003 0.000 1.074 506 L CA 1.045 55.865 54.840 -0.033 0.000 0.763 506 L CB -0.593 41.434 42.059 -0.053 0.000 0.890 506 L HN 0.078 nan 8.230 nan 0.000 0.434 507 L N -0.180 121.033 121.223 -0.018 0.000 2.042 507 L HA -0.256 4.084 4.340 0.001 0.000 0.210 507 L C 2.694 179.573 176.870 0.014 0.000 1.076 507 L CA 1.417 56.272 54.840 0.026 0.000 0.749 507 L CB -0.599 41.467 42.059 0.012 0.000 0.893 507 L HN 0.316 nan 8.230 nan 0.000 0.432 508 K N 0.993 121.389 120.400 -0.006 0.000 2.218 508 K HA -0.190 4.130 4.320 0.001 0.000 0.205 508 K C 1.548 178.150 176.600 0.003 0.000 1.046 508 K CA 1.600 57.885 56.287 -0.003 0.000 0.933 508 K CB -0.100 32.392 32.500 -0.013 0.000 0.728 508 K HN 0.340 nan 8.250 nan 0.000 0.454 509 L N 1.028 122.255 121.223 0.007 0.000 2.688 509 L HA 0.322 4.663 4.340 0.001 0.000 0.234 509 L C 0.883 177.763 176.870 0.018 0.000 1.192 509 L CA 0.809 55.655 54.840 0.010 0.000 0.984 509 L CB -1.402 40.663 42.059 0.010 0.000 1.232 509 L HN 0.415 nan 8.230 nan 0.000 0.465 510 E N 0.000 120.213 120.200 0.021 0.000 2.725 510 E HA 0.000 4.351 4.350 0.001 0.000 0.291 510 E CA 0.000 56.415 56.400 0.024 0.000 0.976 510 E CB 0.000 nan 29.700 nan 0.000 0.812 510 E HN 0.000 nan 8.360 nan 0.000 0.440